Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6391 | 1iy5 RC | 5469 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 3 1HT ALA 3 2.726 1.729 -10.785
2 2H ALA 3 2HT ALA 3 1.898 1.690 -12.267
3 3H ALA 3 3HT ALA 3 1.328 2.668 -10.999
4 HA ALA 3 HA ALA 3 3.803 3.037 -12.591
5 1HB ALA 3 1HB ALA 3 1.548 4.985 -12.094
6 2HB ALA 3 2HB ALA 3 1.488 3.824 -13.419
7 3HB ALA 3 3HB ALA 3 2.773 5.032 -13.362
8 H VAL 4 H VAL 4 2.120 3.644 -9.585
9 HA VAL 4 HA VAL 4 4.591 4.872 -8.511
10 HB VAL 4 HB VAL 4 3.380 6.847 -9.161
11 1HG1 VAL 4 1HG1 VAL 4 0.950 6.385 -7.596
12 2HG1 VAL 4 2HG1 VAL 4 1.134 5.230 -8.915
13 3HG1 VAL 4 3HG1 VAL 4 1.122 6.961 -9.254
14 1HG2 VAL 4 1HG2 VAL 4 3.862 6.160 -6.434
15 2HG2 VAL 4 2HG2 VAL 4 2.369 7.098 -6.488
16 3HG2 VAL 4 3HG2 VAL 4 3.857 7.767 -7.160
17 H SER 5 H SER 5 4.981 3.474 -6.851
18 HA SER 5 HA SER 5 2.776 3.000 -4.913
19 1HB SER 5 2HB SER 5 3.967 0.599 -4.788
20 2HB SER 5 1HB SER 5 2.629 0.923 -5.888
21 HG SER 5 HG SER 5 4.583 -0.051 -6.819
22 H VAL 6 H VAL 6 5.255 4.694 -4.975
23 HA VAL 6 HA VAL 6 7.014 5.246 -3.523
24 HB VAL 6 HB VAL 6 5.323 3.507 -1.703
25 1HG1 VAL 6 1HG1 VAL 6 7.656 5.336 -1.056
26 2HG1 VAL 6 2HG1 VAL 6 7.628 3.583 -0.868
27 3HG1 VAL 6 3HG1 VAL 6 6.594 4.595 0.140
28 1HG2 VAL 6 1HG2 VAL 6 5.653 6.513 -1.705
29 2HG2 VAL 6 2HG2 VAL 6 4.388 5.557 -0.935
30 3HG2 VAL 6 3HG2 VAL 6 4.429 5.712 -2.691
31 H ASP 7 H ASP 7 8.895 4.258 -2.310
32 HA ASP 7 HA ASP 7 9.903 1.985 -3.780
33 1HB ASP 7 2HB ASP 7 11.491 3.615 -3.047
34 2HB ASP 7 1HB ASP 7 10.932 3.508 -1.376
35 H CYS 8 H CYS 8 8.937 0.020 -3.404
36 HA CYS 8 HA CYS 8 8.427 -0.790 -0.577
37 1HB CYS 8 2HB CYS 8 7.552 -2.149 -3.144
38 2HB CYS 8 1HB CYS 8 7.040 -2.569 -1.513
39 H SER 9 H SER 9 11.060 -0.762 -0.994
40 HA SER 9 HA SER 9 11.933 -3.394 -2.036
41 1HB SER 9 2HB SER 9 13.312 -0.859 -1.218
42 2HB SER 9 1HB SER 9 14.225 -2.366 -1.186
43 HG SER 9 HG SER 9 13.918 -2.602 -3.335
44 H GLU 10 H GLU 10 11.433 -1.675 0.944
45 HA GLU 10 HA GLU 10 12.876 -3.517 2.646
46 1HB GLU 10 2HB GLU 10 12.601 -1.486 3.708
47 2HB GLU 10 1HB GLU 10 11.027 -1.198 2.974
48 1HG GLU 10 2HG GLU 10 10.694 -1.567 5.334
49 2HG GLU 10 1HG GLU 10 10.080 -2.978 4.476
50 H TYR 11 H TYR 11 10.051 -3.880 0.870
51 HA TYR 11 HA TYR 11 8.696 -5.572 2.877
52 1HB TYR 11 2HB TYR 11 7.965 -4.685 0.081
53 2HB TYR 11 1HB TYR 11 6.981 -5.812 1.011
54 HD1 TYR 11 1HD TYR 11 5.436 -5.007 2.627
55 HD2 TYR 11 2HD TYR 11 8.557 -2.441 1.180
56 HE1 TYR 11 1HE TYR 11 4.425 -3.095 3.839
57 HE2 TYR 11 2HE TYR 11 7.545 -0.523 2.387
58 HH TYR 11 HH TYR 11 4.742 -0.183 3.266
59 HA PRO 12 HA PRO 12 6.934 -7.085 2.265
60 1HB PRO 12 2HB PRO 12 6.702 -9.551 3.450
61 2HB PRO 12 1HB PRO 12 6.226 -9.213 1.777
62 1HG PRO 12 2HG PRO 12 8.637 -10.655 2.791
63 2HG PRO 12 1HG PRO 12 7.776 -10.848 1.254
64 1HD PRO 12 2HD PRO 12 10.199 -9.453 1.600
65 2HD PRO 12 1HD PRO 12 9.124 -9.320 0.191
66 H LYS 13 H LYS 13 6.275 -6.904 4.515
67 HA LYS 13 HA LYS 13 8.603 -6.534 6.321
68 1HB LYS 13 2HB LYS 13 5.754 -5.538 6.321
69 2HB LYS 13 1HB LYS 13 6.795 -5.366 7.734
70 1HG LYS 13 2HG LYS 13 8.502 -4.326 6.065
71 2HG LYS 13 1HG LYS 13 7.103 -4.128 5.006
72 1HD LYS 13 2HD LYS 13 6.057 -3.186 7.304
73 2HD LYS 13 1HD LYS 13 7.750 -2.762 7.564
74 1HE LYS 13 2HE LYS 13 7.449 -1.953 4.993
75 2HE LYS 13 1HE LYS 13 5.809 -1.696 5.591
76 1HZ LYS 13 1HZ LYS 13 7.896 -0.807 7.378
77 2HZ LYS 13 2HZ LYS 13 6.460 -0.030 6.908
78 3HZ LYS 13 3HZ LYS 13 7.832 0.038 5.909
79 HA PRO 14 HA PRO 14 7.430 -9.951 8.835
80 1HB PRO 14 2HB PRO 14 8.542 -9.115 11.210
81 2HB PRO 14 1HB PRO 14 9.496 -9.735 9.851
82 1HG PRO 14 2HG PRO 14 9.195 -6.928 10.805
83 2HG PRO 14 1HG PRO 14 10.527 -7.670 9.905
84 1HD PRO 14 2HD PRO 14 8.497 -6.014 8.817
85 2HD PRO 14 1HD PRO 14 9.655 -6.997 7.897
86 H ALA 15 H ALA 15 6.056 -6.936 9.082
87 HA ALA 15 HA ALA 15 3.657 -7.687 10.287
88 1HB ALA 15 1HB ALA 15 3.991 -7.759 12.515
89 2HB ALA 15 2HB ALA 15 4.706 -6.147 12.486
90 3HB ALA 15 3HB ALA 15 5.721 -7.568 12.233
91 H CYS 16 H CYS 16 2.214 -5.886 10.348
92 HA CYS 16 HA CYS 16 3.374 -3.416 9.178
93 1HB CYS 16 2HB CYS 16 0.596 -4.569 9.321
94 2HB CYS 16 1HB CYS 16 0.836 -2.863 8.951
95 H THR 17 H THR 17 2.787 -1.322 10.052
96 HA THR 17 HA THR 17 2.563 -1.376 12.999
97 HB THR 17 HB THR 17 2.705 1.285 12.172
98 HG1 THR 17 1HG THR 17 4.674 -0.008 10.700
99 1HG2 THR 17 1HG2 THR 17 4.141 0.845 13.888
100 2HG2 THR 17 2HG2 THR 17 5.309 0.630 12.585
101 3HG2 THR 17 3HG2 THR 17 4.511 -0.775 13.293
102 H MET 18 H MET 18 1.182 0.674 13.821
103 HA MET 18 HA MET 18 -1.551 0.133 12.900
104 1HB MET 18 2HB MET 18 -0.291 1.271 15.267
105 2HB MET 18 1HB MET 18 -1.646 2.256 14.718
106 1HG MET 18 2HG MET 18 -3.043 0.763 15.660
107 2HG MET 18 1HG MET 18 -2.498 -0.423 14.475
108 1HE MET 18 1HE MET 18 -2.304 1.283 17.560
109 2HE MET 18 2HE MET 18 -0.953 0.660 18.506
110 3HE MET 18 3HE MET 18 -2.523 -0.133 18.599
111 H GLU 19 H GLU 19 0.727 1.878 11.487
112 HA GLU 19 HA GLU 19 -0.023 4.530 11.196
113 1HB GLU 19 2HB GLU 19 1.762 3.129 9.895
114 2HB GLU 19 1HB GLU 19 0.466 2.879 8.724
115 1HG GLU 19 2HG GLU 19 1.218 4.845 7.844
116 2HG GLU 19 1HG GLU 19 0.260 5.567 9.137
117 H TYR 20 H TYR 20 -1.900 5.526 10.642
118 HA TYR 20 HA TYR 20 -4.089 3.866 9.509
119 1HB TYR 20 2HB TYR 20 -4.104 5.643 11.555
120 2HB TYR 20 1HB TYR 20 -4.563 6.690 10.214
121 HD1 TYR 20 1HD TYR 20 -5.934 4.556 8.515
122 HD2 TYR 20 2HD TYR 20 -6.229 5.538 12.688
123 HE1 TYR 20 1HE TYR 20 -8.233 3.627 8.573
124 HE2 TYR 20 2HE TYR 20 -8.526 4.608 12.743
125 HH TYR 20 HH TYR 20 -10.391 4.167 10.264
126 H ARG 21 H ARG 21 -2.106 4.470 7.667
127 HA ARG 21 HA ARG 21 -2.911 6.853 6.146
128 1HB ARG 21 2HB ARG 21 -0.702 4.895 6.069
129 2HB ARG 21 1HB ARG 21 -1.228 5.473 4.489
130 1HG ARG 21 2HG ARG 21 -0.740 7.414 6.741
131 2HG ARG 21 1HG ARG 21 0.599 6.832 5.752
132 1HD ARG 21 2HD ARG 21 -0.341 7.737 3.759
133 2HD ARG 21 1HD ARG 21 -1.907 7.999 4.529
134 HE ARG 21 HE ARG 21 0.421 9.503 5.595
135 1HH1 ARG 21 1HH2 ARG 21 -0.335 10.600 2.939
136 2HH1 ARG 21 2HH2 ARG 21 -1.558 11.759 3.341
137 1HH2 ARG 21 1HH1 ARG 21 -2.104 10.473 6.516
138 2HH2 ARG 21 2HH1 ARG 21 -2.561 11.686 5.367
139 HA PRO 22 HA PRO 22 -5.885 4.220 4.034
140 1HB PRO 22 2HB PRO 22 -7.289 6.308 2.938
141 2HB PRO 22 1HB PRO 22 -7.522 5.746 4.600
142 1HG PRO 22 2HG PRO 22 -6.156 8.208 3.630
143 2HG PRO 22 1HG PRO 22 -6.915 7.890 5.198
144 1HD PRO 22 2HD PRO 22 -4.126 7.843 4.637
145 2HD PRO 22 1HD PRO 22 -4.914 7.279 6.127
146 H LEU 23 H LEU 23 -5.163 3.273 2.144
147 HA LEU 23 HA LEU 23 -4.233 5.097 -0.039
148 1HB LEU 23 2HB LEU 23 -3.362 2.242 0.510
149 2HB LEU 23 1HB LEU 23 -2.810 3.241 -0.836
150 HG LEU 23 HG LEU 23 -2.359 3.727 2.122
151 1HD1 LEU 23 1HD1 LEU 23 -0.777 2.167 1.212
152 2HD1 LEU 23 2HD1 LEU 23 0.045 3.724 1.311
153 3HD1 LEU 23 3HD1 LEU 23 -0.559 3.142 -0.240
154 1HD2 LEU 23 1HD2 LEU 23 -1.713 5.497 -0.258
155 2HD2 LEU 23 2HD2 LEU 23 -1.167 5.781 1.395
156 3HD2 LEU 23 3HD2 LEU 23 -2.886 5.854 1.010
157 H CYS 24 H CYS 24 -5.567 5.086 -1.773
158 HA CYS 24 HA CYS 24 -7.622 2.977 -1.979
159 1HB CYS 24 2HB CYS 24 -8.238 5.361 -2.330
160 2HB CYS 24 1HB CYS 24 -7.133 5.429 -3.702
161 H GLY 25 H GLY 25 -6.493 1.136 -2.717
162 1HA GLY 25 2HA GLY 25 -4.428 1.111 -4.656
163 2HA GLY 25 1HA GLY 25 -5.477 -0.264 -4.307
164 H SER 26 H SER 26 -4.473 0.668 -6.938
165 HA SER 26 HA SER 26 -6.456 2.051 -8.427
166 1HB SER 26 2HB SER 26 -4.037 0.665 -8.955
167 2HB SER 26 1HB SER 26 -5.253 0.006 -10.043
168 HG SER 26 HG SER 26 -5.618 2.017 -10.847
169 H ASP 27 H ASP 27 -6.662 -1.009 -6.949
170 HA ASP 27 HA ASP 27 -8.570 -2.122 -8.894
171 1HB ASP 27 2HB ASP 27 -8.645 -4.042 -7.433
172 2HB ASP 27 1HB ASP 27 -6.961 -3.531 -7.536
173 H ASN 28 H ASN 28 -8.973 0.435 -7.145
174 HA ASN 28 HA ASN 28 -10.846 1.485 -6.208
175 1HB ASN 28 2HB ASN 28 -11.871 -0.339 -8.028
176 2HB ASN 28 1HB ASN 28 -12.711 -0.751 -6.532
177 1HD2 ASN 28 1HD2 ASN 28 -14.553 0.231 -8.048
178 2HD2 ASN 28 2HD2 ASN 28 -14.831 1.894 -7.859
179 H LYS 29 H LYS 29 -9.069 -0.073 -4.559
180 HA LYS 29 HA LYS 29 -11.027 -0.984 -2.481
181 1HB LYS 29 2HB LYS 29 -9.131 -2.569 -3.725
182 2HB LYS 29 1HB LYS 29 -8.328 -2.093 -2.228
183 1HG LYS 29 2HG LYS 29 -11.098 -2.753 -1.714
184 2HG LYS 29 1HG LYS 29 -10.291 -4.091 -2.535
185 1HD LYS 29 2HD LYS 29 -8.728 -4.373 -0.825
186 2HD LYS 29 1HD LYS 29 -8.915 -2.716 -0.243
187 1HE LYS 29 2HE LYS 29 -11.078 -3.210 0.696
188 2HE LYS 29 1HE LYS 29 -11.106 -4.798 -0.069
189 1HZ LYS 29 1HZ LYS 29 -9.353 -3.869 2.129
190 2HZ LYS 29 2HZ LYS 29 -9.040 -5.288 1.247
191 3HZ LYS 29 3HZ LYS 29 -10.470 -5.145 2.152
192 H THR 30 H THR 30 -10.251 -0.689 -0.236
193 HA THR 30 HA THR 30 -8.523 1.737 -0.028
194 HB THR 30 HB THR 30 -10.693 0.625 1.764
195 HG1 THR 30 1HG THR 30 -11.605 1.908 0.308
196 1HG2 THR 30 1HG2 THR 30 -8.797 2.930 2.290
197 2HG2 THR 30 2HG2 THR 30 -8.823 1.400 3.163
198 3HG2 THR 30 3HG2 THR 30 -10.189 2.506 3.284
199 H TYR 31 H TYR 31 -6.804 1.744 1.489
200 HA TYR 31 HA TYR 31 -6.138 -0.914 2.680
201 1HB TYR 31 2HB TYR 31 -4.536 0.961 1.022
202 2HB TYR 31 1HB TYR 31 -3.709 0.107 2.319
203 HD1 TYR 31 1HD TYR 31 -4.390 -0.075 -1.048
204 HD2 TYR 31 2HD TYR 31 -4.651 -2.499 2.489
205 HE1 TYR 31 1HE TYR 31 -4.354 -2.121 -2.448
206 HE2 TYR 31 2HE TYR 31 -4.611 -4.546 1.088
207 HH TYR 31 HH TYR 31 -5.287 -4.642 -2.037
208 H GLY 32 H GLY 32 -4.624 -0.711 4.551
209 1HA GLY 32 2HA GLY 32 -5.548 1.485 6.279
210 2HA GLY 32 1HA GLY 32 -4.622 0.078 6.800
211 H ASN 33 H ASN 33 -2.705 0.606 4.465
212 HA ASN 33 HA ASN 33 -1.487 3.155 4.792
213 1HB ASN 33 2HB ASN 33 0.389 2.562 6.307
214 2HB ASN 33 1HB ASN 33 -1.170 2.498 7.129
215 1HD2 ASN 33 1HD2 ASN 33 0.508 0.997 8.488
216 2HD2 ASN 33 2HD2 ASN 33 0.411 -0.655 8.110
217 H LYS 34 H LYS 34 0.932 3.032 4.176
218 HA LYS 34 HA LYS 34 1.170 1.644 1.697
219 1HB LYS 34 2HB LYS 34 3.377 2.530 1.573
220 2HB LYS 34 1HB LYS 34 2.438 3.740 2.445
221 1HG LYS 34 2HG LYS 34 3.237 2.758 4.596
222 2HG LYS 34 1HG LYS 34 4.249 1.644 3.676
223 1HD LYS 34 2HD LYS 34 4.474 4.568 3.082
224 2HD LYS 34 1HD LYS 34 5.220 3.958 4.559
225 1HE LYS 34 2HE LYS 34 6.098 2.075 2.865
226 2HE LYS 34 1HE LYS 34 5.916 3.400 1.715
227 1HZ LYS 34 1HZ LYS 34 7.113 4.620 3.778
228 2HZ LYS 34 2HZ LYS 34 7.938 3.973 2.441
229 3HZ LYS 34 3HZ LYS 34 7.806 3.076 3.878
230 H CYS 35 H CYS 35 1.465 0.479 4.871
231 HA CYS 35 HA CYS 35 3.525 -1.513 4.342
232 1HB CYS 35 2HB CYS 35 2.939 -0.673 6.643
233 2HB CYS 35 1HB CYS 35 1.392 -1.508 6.497
234 H ASN 36 H ASN 36 0.017 -1.305 4.209
235 HA ASN 36 HA ASN 36 -0.295 -4.140 3.505
236 1HB ASN 36 2HB ASN 36 -1.940 -2.157 4.617
237 2HB ASN 36 1HB ASN 36 -2.589 -2.424 3.003
238 1HD2 ASN 36 1HD2 ASN 36 -1.693 -4.154 6.010
239 2HD2 ASN 36 2HD2 ASN 36 -2.729 -5.473 5.746
240 H PHE 37 H PHE 37 0.403 -1.200 1.936
241 HA PHE 37 HA PHE 37 -0.805 -1.948 -0.642
242 1HB PHE 37 2HB PHE 37 -0.609 0.438 0.234
243 2HB PHE 37 1HB PHE 37 1.122 0.318 -0.072
244 HD1 PHE 37 1HD PHE 37 1.840 1.206 -2.096
245 HD2 PHE 37 2HD PHE 37 -2.069 -0.565 -1.859
246 HE1 PHE 37 1HE PHE 37 1.448 1.747 -4.485
247 HE2 PHE 37 2HE PHE 37 -2.458 -0.026 -4.245
248 HZ PHE 37 HZ PHE 37 -0.701 1.131 -5.560
249 H CYS 38 H CYS 38 2.482 -1.515 0.687
250 HA CYS 38 HA CYS 38 3.808 -2.433 -1.705
251 1HB CYS 38 2HB CYS 38 4.694 -2.135 1.170
252 2HB CYS 38 1HB CYS 38 5.772 -2.732 -0.084
253 H ASN 39 H ASN 39 2.546 -3.986 1.188
254 HA ASN 39 HA ASN 39 3.804 -6.554 0.616
255 1HB ASN 39 2HB ASN 39 2.270 -5.406 2.751
256 2HB ASN 39 1HB ASN 39 1.485 -6.899 2.240
257 1HD2 ASN 39 1HD2 ASN 39 3.124 -8.815 1.917
258 2HD2 ASN 39 2HD2 ASN 39 4.360 -8.946 3.073
259 H ALA 40 H ALA 40 0.527 -5.214 0.285
260 HA ALA 40 HA ALA 40 -0.624 -7.519 -0.951
261 1HB ALA 40 1HB ALA 40 -2.421 -6.097 -1.602
262 2HB ALA 40 2HB ALA 40 -1.378 -4.674 -1.655
263 3HB ALA 40 3HB ALA 40 -1.820 -5.387 -0.103
264 H VAL 41 H VAL 41 1.671 -5.209 -1.993
265 HA VAL 41 HA VAL 41 1.248 -5.694 -4.864
266 HB VAL 41 HB VAL 41 3.212 -4.060 -3.250
267 1HG1 VAL 41 1HG1 VAL 41 4.174 -3.322 -5.428
268 2HG1 VAL 41 2HG1 VAL 41 3.224 -4.565 -6.242
269 3HG1 VAL 41 3HG1 VAL 41 4.486 -5.027 -5.100
270 1HG2 VAL 41 1HG2 VAL 41 1.937 -2.279 -3.884
271 2HG2 VAL 41 2HG2 VAL 41 0.694 -3.501 -4.154
272 3HG2 VAL 41 3HG2 VAL 41 1.671 -2.922 -5.505
273 H VAL 42 H VAL 42 3.434 -6.685 -2.262
274 HA VAL 42 HA VAL 42 5.203 -8.137 -4.090
275 HB VAL 42 HB VAL 42 4.966 -8.090 -1.070
276 1HG1 VAL 42 1HG1 VAL 42 7.330 -9.221 -1.392
277 2HG1 VAL 42 2HG1 VAL 42 6.644 -9.749 -2.929
278 3HG1 VAL 42 3HG1 VAL 42 5.871 -10.213 -1.412
279 1HG2 VAL 42 1HG2 VAL 42 5.860 -6.061 -2.273
280 2HG2 VAL 42 2HG2 VAL 42 7.141 -7.080 -2.930
281 3HG2 VAL 42 3HG2 VAL 42 7.028 -6.816 -1.189
282 H GLU 43 H GLU 43 2.201 -8.764 -2.556
283 HA GLU 43 HA GLU 43 2.564 -11.697 -2.645
284 1HB GLU 43 2HB GLU 43 0.483 -11.850 -1.500
285 2HB GLU 43 1HB GLU 43 1.282 -10.445 -0.794
286 1HG GLU 43 2HG GLU 43 -0.011 -8.941 -2.209
287 2HG GLU 43 1HG GLU 43 -0.741 -10.310 -3.049
288 H SER 44 H SER 44 0.705 -9.131 -4.241
289 HA SER 44 HA SER 44 -0.654 -10.966 -6.046
290 1HB SER 44 2HB SER 44 -0.540 -8.050 -5.596
291 2HB SER 44 1HB SER 44 -0.782 -8.518 -7.276
292 HG SER 44 HG SER 44 -2.482 -8.646 -5.166
293 H ASN 45 H ASN 45 2.503 -9.803 -5.848
294 HA ASN 45 HA ASN 45 4.314 -10.099 -7.309
295 1HB ASN 45 2HB ASN 45 2.527 -12.056 -8.070
296 2HB ASN 45 1HB ASN 45 2.765 -11.158 -9.572
297 1HD2 ASN 45 1HD2 ASN 45 3.896 -13.360 -10.120
298 2HD2 ASN 45 2HD2 ASN 45 5.546 -13.470 -9.744
299 H GLY 46 H GLY 46 2.117 -7.868 -7.486
300 1HA GLY 46 2HA GLY 46 2.760 -5.775 -8.661
301 2HA GLY 46 1HA GLY 46 3.158 -6.764 -10.063
302 H THR 47 H THR 47 0.339 -7.974 -8.670
303 HA THR 47 HA THR 47 -1.247 -6.836 -10.871
304 HB THR 47 HB THR 47 -2.893 -8.319 -9.072
305 HG1 THR 47 1HG THR 47 -0.750 -9.915 -9.829
306 1HG2 THR 47 1HG2 THR 47 -2.401 -8.111 -11.782
307 2HG2 THR 47 2HG2 THR 47 -3.494 -9.272 -11.030
308 3HG2 THR 47 3HG2 THR 47 -1.835 -9.739 -11.406
309 H LEU 48 H LEU 48 -0.318 -5.391 -8.216
310 HA LEU 48 HA LEU 48 -3.001 -4.157 -7.705
311 1HB LEU 48 2HB LEU 48 -2.188 -5.484 -5.753
312 2HB LEU 48 1HB LEU 48 -0.739 -4.478 -5.706
313 HG LEU 48 HG LEU 48 -2.200 -2.467 -5.446
314 1HD1 LEU 48 1HD1 LEU 48 -4.579 -3.588 -4.503
315 2HD1 LEU 48 2HD1 LEU 48 -4.230 -4.491 -5.977
316 3HD1 LEU 48 3HD1 LEU 48 -4.364 -2.732 -6.031
317 1HD2 LEU 48 1HD2 LEU 48 -3.110 -4.198 -3.228
318 2HD2 LEU 48 2HD2 LEU 48 -2.156 -2.717 -3.180
319 3HD2 LEU 48 3HD2 LEU 48 -1.376 -4.255 -3.544
320 H THR 49 H THR 49 -3.071 -2.002 -8.031
321 HA THR 49 HA THR 49 -0.469 -0.564 -8.348
322 HB THR 49 HB THR 49 -2.167 0.912 -9.819
323 HG1 THR 49 1HG THR 49 -3.433 -0.602 -11.005
324 1HG2 THR 49 1HG2 THR 49 -0.492 -1.480 -10.550
325 2HG2 THR 49 2HG2 THR 49 -0.098 0.230 -10.727
326 3HG2 THR 49 3HG2 THR 49 -1.299 -0.511 -11.782
327 H LEU 50 H LEU 50 -1.490 2.004 -8.521
328 HA LEU 50 HA LEU 50 -2.844 2.383 -5.879
329 1HB LEU 50 2HB LEU 50 -0.478 3.035 -5.745
330 2HB LEU 50 1HB LEU 50 -0.660 4.062 -7.167
331 HG LEU 50 HG LEU 50 -2.701 4.930 -5.505
332 1HD1 LEU 50 1HD1 LEU 50 -0.231 4.258 -3.879
333 2HD1 LEU 50 2HD1 LEU 50 -1.871 3.673 -3.604
334 3HD1 LEU 50 3HD1 LEU 50 -1.485 5.374 -3.340
335 1HD2 LEU 50 1HD2 LEU 50 -1.224 6.909 -5.187
336 2HD2 LEU 50 2HD2 LEU 50 -1.219 6.343 -6.858
337 3HD2 LEU 50 3HD2 LEU 50 0.138 5.967 -5.796
338 H SER 51 H SER 51 -4.391 4.076 -5.846
339 HA SER 51 HA SER 51 -5.131 5.144 -8.539
340 1HB SER 51 2HB SER 51 -7.141 4.178 -8.132
341 2HB SER 51 1HB SER 51 -6.702 3.815 -6.469
342 HG SER 51 HG SER 51 -7.247 5.965 -5.939
343 H HIS 52 H HIS 52 -4.817 5.816 -5.093
344 HA HIS 52 HA HIS 52 -3.915 8.457 -5.465
345 1HB HIS 52 2HB HIS 52 -5.746 9.837 -5.412
346 2HB HIS 52 1HB HIS 52 -6.532 8.445 -6.142
347 HD1 HIS 52 1HD HIS 52 -8.051 6.974 -4.574
348 HD2 HIS 52 2HD HIS 52 -6.574 10.438 -2.786
349 HE1 HIS 52 1HE HIS 52 -9.400 7.320 -2.458
350 H PHE 53 H PHE 53 -2.596 8.321 -3.753
351 HA PHE 53 HA PHE 53 -2.787 6.808 -1.458
352 1HB PHE 53 2HB PHE 53 -1.440 9.345 -2.160
353 2HB PHE 53 1HB PHE 53 -1.647 9.067 -0.433
354 HD1 PHE 53 1HD PHE 53 -0.437 7.416 -3.568
355 HD2 PHE 53 2HD PHE 53 -0.214 7.593 0.721
356 HE1 PHE 53 1HE PHE 53 1.446 5.803 -3.598
357 HE2 PHE 53 2HE PHE 53 1.669 5.979 0.686
358 HZ PHE 53 HZ PHE 53 2.498 5.086 -1.472
359 H GLY 54 H GLY 54 -4.926 6.678 -0.674
360 1HA GLY 54 2HA GLY 54 -5.725 8.287 1.448
361 2HA GLY 54 1HA GLY 54 -6.481 9.016 0.030
362 H LYS 55 H LYS 55 -8.296 8.095 1.727
363 HA LYS 55 HA LYS 55 -8.906 5.266 1.113
364 1HB LYS 55 2HB LYS 55 -9.314 5.924 3.393
365 2HB LYS 55 1HB LYS 55 -10.250 7.331 2.882
366 1HG LYS 55 2HG LYS 55 -11.893 5.764 1.803
367 2HG LYS 55 1HG LYS 55 -11.002 4.419 2.515
368 1HD LYS 55 2HD LYS 55 -11.325 5.634 4.768
369 2HD LYS 55 1HD LYS 55 -12.544 6.595 3.929
370 1HE LYS 55 2HE LYS 55 -13.971 4.791 3.650
371 2HE LYS 55 1HE LYS 55 -12.656 3.614 3.666
372 1HZ LYS 55 1HZ LYS 55 -13.628 3.318 5.717
373 2HZ LYS 55 2HZ LYS 55 -13.959 4.970 5.932
374 3HZ LYS 55 3HZ LYS 55 -12.370 4.392 6.088
375 H CYS 56 H CYS 56 -10.490 4.624 -0.296
376 HA CYS 56 HA CYS 56 -11.707 6.728 -1.983
377 1HB CYS 56 2HB CYS 56 -11.116 3.833 -2.259
378 2HB CYS 56 1HB CYS 56 -12.580 4.397 -3.064
Start of MODEL 2
1 1H ALA 3 1HT ALA 3 7.236 6.839 -12.887
2 2H ALA 3 2HT ALA 3 8.655 6.177 -12.226
3 3H ALA 3 3HT ALA 3 8.053 7.656 -11.645
4 HA ALA 3 HA ALA 3 6.890 4.955 -11.291
5 1HB ALA 3 1HB ALA 3 8.730 6.234 -9.784
6 2HB ALA 3 2HB ALA 3 7.507 5.168 -9.092
7 3HB ALA 3 3HB ALA 3 7.260 6.915 -9.087
8 H VAL 4 H VAL 4 4.899 5.105 -9.828
9 HA VAL 4 HA VAL 4 3.066 7.115 -10.979
10 HB VAL 4 HB VAL 4 2.402 4.709 -10.814
11 1HG1 VAL 4 1HG1 VAL 4 3.587 4.791 -8.358
12 2HG1 VAL 4 2HG1 VAL 4 2.430 3.554 -8.851
13 3HG1 VAL 4 3HG1 VAL 4 1.888 4.944 -7.911
14 1HG2 VAL 4 1HG2 VAL 4 0.671 6.456 -10.865
15 2HG2 VAL 4 2HG2 VAL 4 0.788 6.639 -9.115
16 3HG2 VAL 4 3HG2 VAL 4 0.172 5.138 -9.805
17 H SER 5 H SER 5 4.999 6.734 -8.220
18 HA SER 5 HA SER 5 4.562 9.174 -7.036
19 1HB SER 5 2HB SER 5 2.251 8.885 -6.670
20 2HB SER 5 1HB SER 5 2.442 7.190 -6.230
21 HG SER 5 HG SER 5 3.603 9.297 -4.740
22 H VAL 6 H VAL 6 4.334 5.818 -5.816
23 HA VAL 6 HA VAL 6 6.888 6.305 -4.342
24 HB VAL 6 HB VAL 6 5.921 4.780 -2.546
25 1HG1 VAL 6 1HG1 VAL 6 4.561 7.440 -3.075
26 2HG1 VAL 6 2HG1 VAL 6 6.082 7.204 -2.214
27 3HG1 VAL 6 3HG1 VAL 6 4.574 6.603 -1.522
28 1HG2 VAL 6 1HG2 VAL 6 3.927 4.399 -4.423
29 2HG2 VAL 6 2HG2 VAL 6 3.178 5.526 -3.291
30 3HG2 VAL 6 3HG2 VAL 6 3.804 3.981 -2.714
31 H ASP 7 H ASP 7 7.944 4.149 -3.750
32 HA ASP 7 HA ASP 7 7.317 2.098 -5.839
33 1HB ASP 7 2HB ASP 7 9.474 3.521 -6.117
34 2HB ASP 7 1HB ASP 7 10.098 2.566 -4.774
35 H CYS 8 H CYS 8 7.085 0.039 -5.082
36 HA CYS 8 HA CYS 8 7.509 -0.388 -2.170
37 1HB CYS 8 2HB CYS 8 5.904 -1.903 -4.245
38 2HB CYS 8 1HB CYS 8 6.103 -2.446 -2.578
39 H SER 9 H SER 9 9.898 -0.354 -3.388
40 HA SER 9 HA SER 9 10.623 -3.079 -4.255
41 1HB SER 9 2HB SER 9 11.838 -1.510 -5.486
42 2HB SER 9 1HB SER 9 12.026 -0.427 -4.110
43 HG SER 9 HG SER 9 13.231 -2.986 -4.378
44 H GLU 10 H GLU 10 10.629 -1.141 -1.381
45 HA GLU 10 HA GLU 10 12.605 -2.865 -0.020
46 1HB GLU 10 2HB GLU 10 11.046 -0.400 0.738
47 2HB GLU 10 1HB GLU 10 11.841 -1.368 1.979
48 1HG GLU 10 2HG GLU 10 13.722 -1.053 -0.111
49 2HG GLU 10 1HG GLU 10 13.007 0.537 0.161
50 H TYR 11 H TYR 11 10.396 -4.306 -0.944
51 HA TYR 11 HA TYR 11 9.149 -5.101 1.643
52 1HB TYR 11 2HB TYR 11 7.775 -4.349 -0.920
53 2HB TYR 11 1HB TYR 11 7.047 -5.568 0.124
54 HD1 TYR 11 1HD TYR 11 5.922 -4.954 2.129
55 HD2 TYR 11 2HD TYR 11 8.363 -2.090 0.060
56 HE1 TYR 11 1HE TYR 11 5.087 -3.161 3.629
57 HE2 TYR 11 2HE TYR 11 7.536 -0.298 1.553
58 HH TYR 11 HH TYR 11 5.330 0.033 2.986
59 HA PRO 12 HA PRO 12 7.194 -6.508 1.669
60 1HB PRO 12 2HB PRO 12 7.037 -8.828 3.131
61 2HB PRO 12 1HB PRO 12 6.230 -8.596 1.571
62 1HG PRO 12 2HG PRO 12 8.681 -10.180 2.200
63 2HG PRO 12 1HG PRO 12 7.493 -10.418 0.908
64 1HD PRO 12 2HD PRO 12 10.039 -9.242 0.601
65 2HD PRO 12 1HD PRO 12 8.707 -9.151 -0.570
66 H LYS 13 H LYS 13 7.055 -6.302 4.095
67 HA LYS 13 HA LYS 13 9.798 -6.091 5.267
68 1HB LYS 13 2HB LYS 13 7.302 -4.640 6.176
69 2HB LYS 13 1HB LYS 13 8.974 -4.286 6.618
70 1HG LYS 13 2HG LYS 13 8.335 -4.281 3.714
71 2HG LYS 13 1HG LYS 13 7.683 -2.949 4.669
72 1HD LYS 13 2HD LYS 13 9.903 -2.365 3.795
73 2HD LYS 13 1HD LYS 13 9.949 -2.487 5.554
74 1HE LYS 13 2HE LYS 13 11.110 -4.515 5.518
75 2HE LYS 13 1HE LYS 13 10.580 -4.904 3.881
76 1HZ LYS 13 1HZ LYS 13 11.921 -2.638 3.465
77 2HZ LYS 13 2HZ LYS 13 12.622 -4.182 3.350
78 3HZ LYS 13 3HZ LYS 13 12.801 -3.268 4.772
79 HA PRO 14 HA PRO 14 8.620 -8.956 8.376
80 1HB PRO 14 2HB PRO 14 10.284 -8.120 10.396
81 2HB PRO 14 1HB PRO 14 10.847 -9.010 8.971
82 1HG PRO 14 2HG PRO 14 11.173 -6.122 9.627
83 2HG PRO 14 1HG PRO 14 12.171 -7.158 8.595
84 1HD PRO 14 2HD PRO 14 10.237 -5.276 7.708
85 2HD PRO 14 1HD PRO 14 11.037 -6.511 6.713
86 H ALA 15 H ALA 15 7.918 -5.649 8.645
87 HA ALA 15 HA ALA 15 5.875 -6.163 10.670
88 1HB ALA 15 1HB ALA 15 8.350 -4.570 11.302
89 2HB ALA 15 2HB ALA 15 7.533 -5.783 12.287
90 3HB ALA 15 3HB ALA 15 6.819 -4.183 12.085
91 H CYS 16 H CYS 16 4.666 -4.030 11.143
92 HA CYS 16 HA CYS 16 4.826 -2.209 8.775
93 1HB CYS 16 2HB CYS 16 2.325 -3.320 10.090
94 2HB CYS 16 1HB CYS 16 2.337 -2.087 8.831
95 H THR 17 H THR 17 3.711 -0.079 9.238
96 HA THR 17 HA THR 17 4.418 0.793 11.976
97 HB THR 17 HB THR 17 3.322 2.929 10.429
98 HG1 THR 17 1HG THR 17 4.214 2.681 8.516
99 1HG2 THR 17 1HG2 THR 17 6.223 2.244 10.971
100 2HG2 THR 17 2HG2 THR 17 5.146 2.982 12.158
101 3HG2 THR 17 3HG2 THR 17 5.548 3.845 10.674
102 H MET 18 H MET 18 2.858 1.976 13.297
103 HA MET 18 HA MET 18 0.102 0.977 12.862
104 1HB MET 18 2HB MET 18 -0.302 1.502 15.164
105 2HB MET 18 1HB MET 18 1.294 0.758 15.098
106 1HG MET 18 2HG MET 18 2.389 2.885 15.268
107 2HG MET 18 1HG MET 18 0.875 3.755 15.015
108 1HE MET 18 1HE MET 18 3.328 2.951 17.853
109 2HE MET 18 2HE MET 18 2.955 1.466 16.982
110 3HE MET 18 3HE MET 18 2.488 1.629 18.674
111 H GLU 19 H GLU 19 1.344 3.258 11.317
112 HA GLU 19 HA GLU 19 -0.190 5.596 12.250
113 1HB GLU 19 2HB GLU 19 0.963 6.830 10.597
114 2HB GLU 19 1HB GLU 19 2.151 5.637 11.118
115 1HG GLU 19 2HG GLU 19 1.146 4.176 9.186
116 2HG GLU 19 1HG GLU 19 0.548 5.719 8.574
117 H TYR 20 H TYR 20 -1.980 6.479 11.081
118 HA TYR 20 HA TYR 20 -3.488 4.467 9.550
119 1HB TYR 20 2HB TYR 20 -4.312 6.325 11.315
120 2HB TYR 20 1HB TYR 20 -4.513 7.241 9.822
121 HD1 TYR 20 1HD TYR 20 -6.425 6.925 8.502
122 HD2 TYR 20 2HD TYR 20 -5.286 3.902 11.335
123 HE1 TYR 20 1HE TYR 20 -8.517 5.680 8.017
124 HE2 TYR 20 2HE TYR 20 -7.377 2.659 10.849
125 HH TYR 20 HH TYR 20 -9.960 3.820 9.611
126 H ARG 21 H ARG 21 -3.107 4.297 7.419
127 HA ARG 21 HA ARG 21 -2.906 6.786 5.809
128 1HB ARG 21 2HB ARG 21 -0.601 6.234 6.098
129 2HB ARG 21 1HB ARG 21 -0.909 4.515 5.852
130 1HG ARG 21 2HG ARG 21 0.101 5.694 3.856
131 2HG ARG 21 1HG ARG 21 -1.416 4.861 3.527
132 1HD ARG 21 2HD ARG 21 -1.384 7.131 2.531
133 2HD ARG 21 1HD ARG 21 -2.650 6.970 3.747
134 HE ARG 21 HE ARG 21 -0.546 7.961 5.206
135 1HH1 ARG 21 1HH2 ARG 21 -2.820 9.047 2.962
136 2HH1 ARG 21 2HH2 ARG 21 -2.146 10.634 2.796
137 1HH2 ARG 21 1HH1 ARG 21 0.672 9.924 4.687
138 2HH2 ARG 21 2HH1 ARG 21 -0.169 11.131 3.775
139 HA PRO 22 HA PRO 22 -5.741 3.897 3.770
140 1HB PRO 22 2HB PRO 22 -7.259 5.891 2.640
141 2HB PRO 22 1HB PRO 22 -7.517 5.272 4.278
142 1HG PRO 22 2HG PRO 22 -6.293 7.851 3.415
143 2HG PRO 22 1HG PRO 22 -7.121 7.454 4.930
144 1HD PRO 22 2HD PRO 22 -4.319 7.640 4.579
145 2HD PRO 22 1HD PRO 22 -5.149 6.918 5.973
146 H LEU 23 H LEU 23 -4.763 3.027 1.975
147 HA LEU 23 HA LEU 23 -3.870 4.905 -0.177
148 1HB LEU 23 2HB LEU 23 -2.816 2.199 0.668
149 2HB LEU 23 1HB LEU 23 -2.338 2.989 -0.831
150 HG LEU 23 HG LEU 23 -1.978 4.078 1.969
151 1HD1 LEU 23 1HD1 LEU 23 -0.111 2.804 1.847
152 2HD1 LEU 23 2HD1 LEU 23 0.470 4.002 0.690
153 3HD1 LEU 23 3HD1 LEU 23 -0.313 2.529 0.117
154 1HD2 LEU 23 1HD2 LEU 23 -2.184 6.058 0.827
155 2HD2 LEU 23 2HD2 LEU 23 -1.824 5.313 -0.730
156 3HD2 LEU 23 3HD2 LEU 23 -0.515 5.705 0.384
157 H CYS 24 H CYS 24 -4.932 4.730 -2.093
158 HA CYS 24 HA CYS 24 -6.754 2.410 -2.486
159 1HB CYS 24 2HB CYS 24 -7.800 4.580 -2.777
160 2HB CYS 24 1HB CYS 24 -6.535 5.086 -3.896
161 H GLY 25 H GLY 25 -4.917 0.973 -3.015
162 1HA GLY 25 2HA GLY 25 -2.936 1.293 -4.903
163 2HA GLY 25 1HA GLY 25 -3.791 -0.235 -4.701
164 H SER 26 H SER 26 -2.778 0.894 -7.195
165 HA SER 26 HA SER 26 -4.655 2.161 -8.836
166 1HB SER 26 2HB SER 26 -2.733 1.809 -10.029
167 2HB SER 26 1HB SER 26 -2.427 0.253 -9.261
168 HG SER 26 HG SER 26 -3.154 -0.507 -11.084
169 H ASP 27 H ASP 27 -4.877 -0.979 -7.413
170 HA ASP 27 HA ASP 27 -6.831 -1.983 -9.362
171 1HB ASP 27 2HB ASP 27 -6.925 -3.953 -7.949
172 2HB ASP 27 1HB ASP 27 -5.237 -3.484 -8.129
173 H ASN 28 H ASN 28 -7.293 0.516 -7.657
174 HA ASN 28 HA ASN 28 -9.092 1.502 -6.524
175 1HB ASN 28 2HB ASN 28 -10.208 0.364 -8.575
176 2HB ASN 28 1HB ASN 28 -10.753 -0.850 -7.417
177 1HD2 ASN 28 1HD2 ASN 28 -12.253 1.390 -8.944
178 2HD2 ASN 28 2HD2 ASN 28 -13.112 2.200 -7.725
179 H LYS 29 H LYS 29 -7.401 -0.215 -4.988
180 HA LYS 29 HA LYS 29 -9.404 -1.398 -3.106
181 1HB LYS 29 2HB LYS 29 -7.974 -3.130 -4.099
182 2HB LYS 29 1HB LYS 29 -6.536 -2.249 -3.584
183 1HG LYS 29 2HG LYS 29 -6.711 -3.675 -1.787
184 2HG LYS 29 1HG LYS 29 -7.794 -2.406 -1.213
185 1HD LYS 29 2HD LYS 29 -9.526 -3.862 -2.707
186 2HD LYS 29 1HD LYS 29 -8.428 -5.136 -2.181
187 1HE LYS 29 2HE LYS 29 -8.723 -4.419 0.167
188 2HE LYS 29 1HE LYS 29 -9.840 -3.162 -0.365
189 1HZ LYS 29 1HZ LYS 29 -10.905 -5.263 0.415
190 2HZ LYS 29 2HZ LYS 29 -10.237 -6.043 -0.940
191 3HZ LYS 29 3HZ LYS 29 -11.356 -4.779 -1.147
192 H THR 30 H THR 30 -9.381 -0.636 -1.034
193 HA THR 30 HA THR 30 -7.532 1.568 -0.407
194 HB THR 30 HB THR 30 -9.764 0.318 1.230
195 HG1 THR 30 1HG THR 30 -10.978 1.964 0.458
196 1HG2 THR 30 1HG2 THR 30 -7.878 2.604 1.681
197 2HG2 THR 30 2HG2 THR 30 -8.472 1.404 2.828
198 3HG2 THR 30 3HG2 THR 30 -9.524 2.719 2.303
199 H TYR 31 H TYR 31 -5.974 1.485 1.284
200 HA TYR 31 HA TYR 31 -5.488 -1.216 2.451
201 1HB TYR 31 2HB TYR 31 -3.646 0.629 0.990
202 2HB TYR 31 1HB TYR 31 -3.001 -0.403 2.257
203 HD1 TYR 31 1HD TYR 31 -3.397 -0.243 -1.143
204 HD2 TYR 31 2HD TYR 31 -4.220 -2.910 2.121
205 HE1 TYR 31 1HE TYR 31 -3.426 -2.159 -2.717
206 HE2 TYR 31 2HE TYR 31 -4.247 -4.826 0.547
207 HH TYR 31 HH TYR 31 -4.530 -4.512 -2.726
208 H GLY 32 H GLY 32 -4.184 -1.127 4.437
209 1HA GLY 32 2HA GLY 32 -5.153 0.952 6.208
210 2HA GLY 32 1HA GLY 32 -4.040 -0.344 6.652
211 H ASN 33 H ASN 33 -2.191 0.392 4.406
212 HA ASN 33 HA ASN 33 -1.328 3.077 4.591
213 1HB ASN 33 2HB ASN 33 0.525 2.915 6.216
214 2HB ASN 33 1HB ASN 33 -1.034 2.662 6.988
215 1HD2 ASN 33 1HD2 ASN 33 1.026 1.611 8.407
216 2HD2 ASN 33 2HD2 ASN 33 1.121 -0.074 8.223
217 H LYS 34 H LYS 34 1.414 2.847 4.579
218 HA LYS 34 HA LYS 34 1.897 1.794 1.955
219 1HB LYS 34 2HB LYS 34 3.932 2.591 4.048
220 2HB LYS 34 1HB LYS 34 4.200 2.477 2.309
221 1HG LYS 34 2HG LYS 34 2.140 4.157 2.233
222 2HG LYS 34 1HG LYS 34 2.692 4.540 3.863
223 1HD LYS 34 2HD LYS 34 5.065 4.639 2.692
224 2HD LYS 34 1HD LYS 34 4.097 4.935 1.246
225 1HE LYS 34 2HE LYS 34 2.905 6.601 3.081
226 2HE LYS 34 1HE LYS 34 4.601 6.689 3.553
227 1HZ LYS 34 1HZ LYS 34 5.062 7.033 1.105
228 2HZ LYS 34 2HZ LYS 34 4.326 8.325 1.928
229 3HZ LYS 34 3HZ LYS 34 3.398 7.314 0.925
230 H CYS 35 H CYS 35 2.123 0.308 5.113
231 HA CYS 35 HA CYS 35 4.006 -1.740 4.195
232 1HB CYS 35 2HB CYS 35 3.813 -1.005 6.597
233 2HB CYS 35 1HB CYS 35 2.233 -1.788 6.646
234 H ASN 36 H ASN 36 0.518 -1.421 4.673
235 HA ASN 36 HA ASN 36 0.007 -4.185 3.842
236 1HB ASN 36 2HB ASN 36 -1.399 -2.202 5.257
237 2HB ASN 36 1HB ASN 36 -2.276 -2.398 3.743
238 1HD2 ASN 36 1HD2 ASN 36 -0.611 -4.618 6.065
239 2HD2 ASN 36 2HD2 ASN 36 -1.875 -5.751 6.110
240 H PHE 37 H PHE 37 0.530 -1.138 2.387
241 HA PHE 37 HA PHE 37 -0.982 -1.708 -0.067
242 1HB PHE 37 2HB PHE 37 -0.821 0.607 0.636
243 2HB PHE 37 1HB PHE 37 0.934 0.501 0.731
244 HD1 PHE 37 1HD PHE 37 1.635 2.075 -0.890
245 HD2 PHE 37 2HD PHE 37 -1.277 -0.909 -1.923
246 HE1 PHE 37 1HE PHE 37 1.824 2.717 -3.275
247 HE2 PHE 37 2HE PHE 37 -1.088 -0.264 -4.311
248 HZ PHE 37 HZ PHE 37 0.464 1.549 -4.983
249 H CYS 38 H CYS 38 2.441 -1.484 0.914
250 HA CYS 38 HA CYS 38 3.388 -2.315 -1.707
251 1HB CYS 38 2HB CYS 38 4.709 -1.972 0.986
252 2HB CYS 38 1HB CYS 38 5.586 -2.612 -0.405
253 H ASN 39 H ASN 39 2.523 -3.920 1.291
254 HA ASN 39 HA ASN 39 3.767 -6.447 0.593
255 1HB ASN 39 2HB ASN 39 1.761 -5.541 2.638
256 2HB ASN 39 1HB ASN 39 1.932 -7.267 2.318
257 1HD2 ASN 39 1HD2 ASN 39 3.870 -8.321 3.025
258 2HD2 ASN 39 2HD2 ASN 39 5.060 -7.533 3.943
259 H ALA 40 H ALA 40 0.499 -5.092 0.324
260 HA ALA 40 HA ALA 40 -0.717 -7.384 -0.873
261 1HB ALA 40 1HB ALA 40 -2.511 -6.004 -0.898
262 2HB ALA 40 2HB ALA 40 -1.711 -4.940 -2.053
263 3HB ALA 40 3HB ALA 40 -1.470 -4.701 -0.323
264 H VAL 41 H VAL 41 1.331 -4.812 -2.047
265 HA VAL 41 HA VAL 41 1.059 -5.375 -4.863
266 HB VAL 41 HB VAL 41 3.198 -3.992 -3.228
267 1HG1 VAL 41 1HG1 VAL 41 4.595 -4.181 -4.982
268 2HG1 VAL 41 2HG1 VAL 41 3.424 -3.299 -5.963
269 3HG1 VAL 41 3HG1 VAL 41 3.372 -5.060 -5.900
270 1HG2 VAL 41 1HG2 VAL 41 2.039 -2.084 -3.665
271 2HG2 VAL 41 2HG2 VAL 41 0.692 -3.170 -4.005
272 3HG2 VAL 41 3HG2 VAL 41 1.695 -2.568 -5.325
273 H VAL 42 H VAL 42 3.111 -6.599 -2.261
274 HA VAL 42 HA VAL 42 4.767 -8.176 -4.101
275 HB VAL 42 HB VAL 42 4.491 -8.231 -1.082
276 1HG1 VAL 42 1HG1 VAL 42 6.141 -9.816 -3.022
277 2HG1 VAL 42 2HG1 VAL 42 5.357 -10.342 -1.533
278 3HG1 VAL 42 3HG1 VAL 42 6.837 -9.389 -1.459
279 1HG2 VAL 42 1HG2 VAL 42 6.842 -7.254 -2.693
280 2HG2 VAL 42 2HG2 VAL 42 6.408 -6.868 -1.030
281 3HG2 VAL 42 3HG2 VAL 42 5.478 -6.186 -2.362
282 H GLU 43 H GLU 43 1.704 -8.510 -2.629
283 HA GLU 43 HA GLU 43 1.728 -11.442 -2.555
284 1HB GLU 43 2HB GLU 43 -0.454 -9.372 -2.196
285 2HB GLU 43 1HB GLU 43 -0.757 -11.109 -2.128
286 1HG GLU 43 2HG GLU 43 1.141 -11.179 -0.376
287 2HG GLU 43 1HG GLU 43 0.938 -9.430 -0.280
288 H SER 44 H SER 44 1.021 -8.938 -4.843
289 HA SER 44 HA SER 44 -0.386 -10.867 -6.620
290 1HB SER 44 2HB SER 44 -0.010 -7.865 -6.745
291 2HB SER 44 1HB SER 44 -0.736 -8.798 -8.051
292 HG SER 44 HG SER 44 -2.170 -7.856 -6.364
293 H ASN 45 H ASN 45 2.575 -10.846 -5.991
294 HA ASN 45 HA ASN 45 4.485 -11.405 -7.252
295 1HB ASN 45 2HB ASN 45 2.522 -12.141 -8.915
296 2HB ASN 45 1HB ASN 45 3.141 -10.773 -9.842
297 1HD2 ASN 45 1HD2 ASN 45 5.912 -11.353 -8.534
298 2HD2 ASN 45 2HD2 ASN 45 6.520 -12.639 -9.462
299 H GLY 46 H GLY 46 3.095 -8.490 -6.934
300 1HA GLY 46 2HA GLY 46 4.307 -6.414 -6.939
301 2HA GLY 46 1HA GLY 46 5.460 -7.119 -8.074
302 H THR 47 H THR 47 2.016 -7.439 -8.570
303 HA THR 47 HA THR 47 2.285 -5.708 -10.985
304 HB THR 47 HB THR 47 0.163 -6.902 -11.697
305 HG1 THR 47 1HG THR 47 0.222 -9.033 -10.336
306 1HG2 THR 47 1HG2 THR 47 2.790 -8.269 -11.217
307 2HG2 THR 47 2HG2 THR 47 2.061 -7.755 -12.740
308 3HG2 THR 47 3HG2 THR 47 1.451 -9.185 -11.906
309 H LEU 48 H LEU 48 1.779 -4.793 -8.166
310 HA LEU 48 HA LEU 48 -0.884 -3.509 -8.642
311 1HB LEU 48 2HB LEU 48 -0.115 -5.099 -6.482
312 2HB LEU 48 1HB LEU 48 0.037 -3.450 -5.875
313 HG LEU 48 HG LEU 48 -2.288 -3.044 -6.910
314 1HD1 LEU 48 1HD1 LEU 48 -1.891 -5.946 -7.348
315 2HD1 LEU 48 2HD1 LEU 48 -2.919 -4.807 -8.216
316 3HD1 LEU 48 3HD1 LEU 48 -3.459 -5.491 -6.684
317 1HD2 LEU 48 1HD2 LEU 48 -2.634 -5.055 -4.764
318 2HD2 LEU 48 2HD2 LEU 48 -3.157 -3.373 -4.823
319 3HD2 LEU 48 3HD2 LEU 48 -1.488 -3.762 -4.404
320 H THR 49 H THR 49 -1.010 -1.272 -8.288
321 HA THR 49 HA THR 49 1.529 0.111 -7.543
322 HB THR 49 HB THR 49 1.270 1.692 -9.332
323 HG1 THR 49 1HG THR 49 -0.622 0.989 -10.825
324 1HG2 THR 49 1HG2 THR 49 0.652 -1.003 -10.552
325 2HG2 THR 49 2HG2 THR 49 2.225 -0.606 -9.860
326 3HG2 THR 49 3HG2 THR 49 1.617 0.300 -11.245
327 H LEU 50 H LEU 50 0.219 2.680 -8.097
328 HA LEU 50 HA LEU 50 -1.640 2.738 -5.756
329 1HB LEU 50 2HB LEU 50 0.465 3.922 -5.303
330 2HB LEU 50 1HB LEU 50 0.252 4.886 -6.764
331 HG LEU 50 HG LEU 50 -2.151 5.126 -5.288
332 1HD1 LEU 50 1HD1 LEU 50 -0.707 4.303 -3.362
333 2HD1 LEU 50 2HD1 LEU 50 -1.447 5.885 -3.123
334 3HD1 LEU 50 3HD1 LEU 50 0.255 5.767 -3.569
335 1HD2 LEU 50 1HD2 LEU 50 0.169 7.059 -5.545
336 2HD2 LEU 50 2HD2 LEU 50 -1.515 7.483 -5.238
337 3HD2 LEU 50 3HD2 LEU 50 -1.047 6.792 -6.792
338 H SER 51 H SER 51 -3.502 4.067 -5.946
339 HA SER 51 HA SER 51 -4.065 5.023 -8.724
340 1HB SER 51 2HB SER 51 -5.439 3.051 -7.298
341 2HB SER 51 1HB SER 51 -6.434 4.490 -7.105
342 HG SER 51 HG SER 51 -6.856 3.230 -9.036
343 H HIS 52 H HIS 52 -4.297 5.616 -5.267
344 HA HIS 52 HA HIS 52 -4.179 8.417 -5.523
345 1HB HIS 52 2HB HIS 52 -6.268 8.996 -6.158
346 2HB HIS 52 1HB HIS 52 -6.809 7.326 -6.051
347 HD1 HIS 52 1HD HIS 52 -8.708 7.077 -4.470
348 HD2 HIS 52 2HD HIS 52 -6.101 10.090 -3.242
349 HE1 HIS 52 1HE HIS 52 -9.657 8.012 -2.315
350 H PHE 53 H PHE 53 -2.975 8.518 -3.690
351 HA PHE 53 HA PHE 53 -3.053 6.982 -1.394
352 1HB PHE 53 2HB PHE 53 -2.513 9.943 -1.704
353 2HB PHE 53 1HB PHE 53 -2.219 9.063 -0.210
354 HD1 PHE 53 1HD PHE 53 -1.277 9.313 -3.788
355 HD2 PHE 53 2HD PHE 53 -0.342 7.593 0.034
356 HE1 PHE 53 1HE PHE 53 0.904 8.536 -4.671
357 HE2 PHE 53 2HE PHE 53 1.841 6.814 -0.850
358 HZ PHE 53 HZ PHE 53 2.464 7.284 -3.204
359 H GLY 54 H GLY 54 -5.174 6.413 -0.762
360 1HA GLY 54 2HA GLY 54 -6.507 7.533 1.269
361 2HA GLY 54 1HA GLY 54 -7.065 8.575 -0.045
362 H LYS 55 H LYS 55 -8.589 6.577 1.592
363 HA LYS 55 HA LYS 55 -9.138 4.209 0.173
364 1HB LYS 55 2HB LYS 55 -11.186 4.097 1.392
365 2HB LYS 55 1HB LYS 55 -10.051 4.930 2.450
366 1HG LYS 55 2HG LYS 55 -10.991 7.073 1.914
367 2HG LYS 55 1HG LYS 55 -11.961 6.390 0.610
368 1HD LYS 55 2HD LYS 55 -13.376 6.744 2.567
369 2HD LYS 55 1HD LYS 55 -13.191 5.015 2.280
370 1HE LYS 55 2HE LYS 55 -11.048 5.547 3.918
371 2HE LYS 55 1HE LYS 55 -12.273 6.646 4.552
372 1HZ LYS 55 1HZ LYS 55 -13.151 3.943 3.933
373 2HZ LYS 55 2HZ LYS 55 -13.579 4.957 5.227
374 3HZ LYS 55 3HZ LYS 55 -12.110 4.104 5.262
375 H CYS 56 H CYS 56 -10.288 3.755 -1.673
376 HA CYS 56 HA CYS 56 -11.067 6.040 -3.353
377 1HB CYS 56 2HB CYS 56 -10.589 3.136 -3.744
378 2HB CYS 56 1HB CYS 56 -11.786 3.872 -4.809
Start of MODEL 3
1 1H ALA 3 1HT ALA 3 -1.979 0.817 -1.892
2 2H ALA 3 2HT ALA 3 -2.027 2.229 -0.956
3 3H ALA 3 3HT ALA 3 -0.546 1.645 -1.530
4 HA ALA 3 HA ALA 3 -1.567 1.941 -3.852
5 1HB ALA 3 1HB ALA 3 -3.096 4.151 -2.577
6 2HB ALA 3 2HB ALA 3 -3.790 2.535 -2.451
7 3HB ALA 3 3HB ALA 3 -3.459 3.233 -4.038
8 H VAL 4 H VAL 4 0.835 2.466 -3.305
9 HA VAL 4 HA VAL 4 1.141 5.387 -3.578
10 HB VAL 4 HB VAL 4 2.390 3.821 -1.307
11 1HG1 VAL 4 1HG1 VAL 4 2.749 6.759 -1.562
12 2HG1 VAL 4 2HG1 VAL 4 3.679 5.767 -2.682
13 3HG1 VAL 4 3HG1 VAL 4 3.862 5.542 -0.944
14 1HG2 VAL 4 1HG2 VAL 4 0.248 4.432 -0.612
15 2HG2 VAL 4 2HG2 VAL 4 0.243 5.899 -1.589
16 3HG2 VAL 4 3HG2 VAL 4 1.193 5.832 -0.107
17 H SER 5 H SER 5 2.938 5.920 -4.802
18 HA SER 5 HA SER 5 4.436 3.665 -5.976
19 1HB SER 5 2HB SER 5 5.538 5.920 -7.069
20 2HB SER 5 1HB SER 5 4.132 5.091 -7.728
21 HG SER 5 HG SER 5 2.813 6.505 -6.601
22 H VAL 6 H VAL 6 5.102 3.714 -3.380
23 HA VAL 6 HA VAL 6 7.620 5.289 -3.179
24 HB VAL 6 HB VAL 6 5.525 4.648 -1.322
25 1HG1 VAL 6 1HG1 VAL 6 6.767 3.795 0.574
26 2HG1 VAL 6 2HG1 VAL 6 8.269 3.796 -0.349
27 3HG1 VAL 6 3HG1 VAL 6 6.980 2.667 -0.764
28 1HG2 VAL 6 1HG2 VAL 6 7.960 6.015 -0.359
29 2HG2 VAL 6 2HG2 VAL 6 6.285 6.567 -0.368
30 3HG2 VAL 6 3HG2 VAL 6 7.261 6.688 -1.832
31 H ASP 7 H ASP 7 9.375 3.999 -1.885
32 HA ASP 7 HA ASP 7 10.076 1.713 -3.492
33 1HB ASP 7 2HB ASP 7 11.604 3.400 -2.201
34 2HB ASP 7 1HB ASP 7 11.366 2.301 -0.840
35 H CYS 8 H CYS 8 8.300 0.231 -3.169
36 HA CYS 8 HA CYS 8 7.913 -0.886 -0.456
37 1HB CYS 8 2HB CYS 8 6.566 -1.192 -3.118
38 2HB CYS 8 1HB CYS 8 6.380 -2.475 -1.924
39 H SER 9 H SER 9 10.519 -1.193 -1.835
40 HA SER 9 HA SER 9 10.591 -4.029 -2.636
41 1HB SER 9 2HB SER 9 12.718 -1.885 -2.453
42 2HB SER 9 1HB SER 9 13.060 -3.547 -2.923
43 HG SER 9 HG SER 9 11.246 -3.130 -4.496
44 H GLU 10 H GLU 10 10.726 -2.332 0.269
45 HA GLU 10 HA GLU 10 12.632 -4.195 1.555
46 1HB GLU 10 2HB GLU 10 10.950 -2.082 2.919
47 2HB GLU 10 1HB GLU 10 12.464 -2.796 3.481
48 1HG GLU 10 2HG GLU 10 13.152 -1.787 1.000
49 2HG GLU 10 1HG GLU 10 12.030 -0.574 1.614
50 H TYR 11 H TYR 11 10.194 -5.268 0.422
51 HA TYR 11 HA TYR 11 8.895 -6.286 2.918
52 1HB TYR 11 2HB TYR 11 7.708 -5.351 0.313
53 2HB TYR 11 1HB TYR 11 6.847 -6.536 1.287
54 HD1 TYR 11 1HD TYR 11 5.462 -5.784 3.054
55 HD2 TYR 11 2HD TYR 11 8.614 -3.256 1.581
56 HE1 TYR 11 1HE TYR 11 4.702 -3.944 4.548
57 HE2 TYR 11 2HE TYR 11 7.851 -1.430 3.074
58 HH TYR 11 HH TYR 11 5.971 -0.723 4.294
59 HA PRO 12 HA PRO 12 6.840 -7.604 2.618
60 1HB PRO 12 2HB PRO 12 6.271 -10.076 3.645
61 2HB PRO 12 1HB PRO 12 5.743 -9.545 2.038
62 1HG PRO 12 2HG PRO 12 7.898 -11.470 2.759
63 2HG PRO 12 1HG PRO 12 6.950 -11.355 1.268
64 1HD PRO 12 2HD PRO 12 9.612 -10.427 1.645
65 2HD PRO 12 1HD PRO 12 8.564 -10.090 0.251
66 H LYS 13 H LYS 13 6.353 -7.700 4.971
67 HA LYS 13 HA LYS 13 8.800 -8.257 6.604
68 1HB LYS 13 2HB LYS 13 6.785 -6.007 6.850
69 2HB LYS 13 1HB LYS 13 7.971 -6.389 8.097
70 1HG LYS 13 2HG LYS 13 9.767 -6.148 6.337
71 2HG LYS 13 1HG LYS 13 8.526 -5.532 5.247
72 1HD LYS 13 2HD LYS 13 8.619 -3.497 6.199
73 2HD LYS 13 1HD LYS 13 8.363 -4.187 7.800
74 1HE LYS 13 2HE LYS 13 10.549 -4.006 8.324
75 2HE LYS 13 1HE LYS 13 11.041 -4.754 6.805
76 1HZ LYS 13 1HZ LYS 13 11.609 -2.775 6.042
77 2HZ LYS 13 2HZ LYS 13 11.160 -2.059 7.517
78 3HZ LYS 13 3HZ LYS 13 10.027 -2.202 6.261
79 HA PRO 14 HA PRO 14 6.192 -10.838 9.010
80 1HB PRO 14 2HB PRO 14 7.641 -10.822 11.347
81 2HB PRO 14 1HB PRO 14 8.121 -11.727 9.901
82 1HG PRO 14 2HG PRO 14 9.259 -9.198 10.995
83 2HG PRO 14 1HG PRO 14 10.036 -10.437 10.000
84 1HD PRO 14 2HD PRO 14 9.070 -7.942 9.080
85 2HD PRO 14 1HD PRO 14 9.533 -9.320 8.060
86 H ALA 15 H ALA 15 6.267 -7.576 9.424
87 HA ALA 15 HA ALA 15 3.975 -7.577 11.198
88 1HB ALA 15 1HB ALA 15 6.134 -5.968 12.424
89 2HB ALA 15 2HB ALA 15 6.332 -7.715 12.567
90 3HB ALA 15 3HB ALA 15 4.877 -6.937 13.191
91 H CYS 16 H CYS 16 2.762 -5.941 10.389
92 HA CYS 16 HA CYS 16 4.056 -3.818 8.820
93 1HB CYS 16 2HB CYS 16 1.339 -4.909 9.115
94 2HB CYS 16 1HB CYS 16 1.380 -3.155 8.971
95 H THR 17 H THR 17 2.759 -1.554 9.264
96 HA THR 17 HA THR 17 3.418 -0.924 12.093
97 HB THR 17 HB THR 17 2.729 1.444 10.759
98 HG1 THR 17 1HG THR 17 3.321 1.218 8.762
99 1HG2 THR 17 1HG2 THR 17 5.569 0.576 10.727
100 2HG2 THR 17 2HG2 THR 17 4.759 0.551 12.294
101 3HG2 THR 17 3HG2 THR 17 4.848 2.051 11.371
102 H MET 18 H MET 18 1.893 0.529 13.269
103 HA MET 18 HA MET 18 -0.885 -0.347 12.816
104 1HB MET 18 2HB MET 18 -1.256 1.049 14.948
105 2HB MET 18 1HB MET 18 -0.240 -0.384 15.107
106 1HG MET 18 2HG MET 18 1.720 0.855 15.282
107 2HG MET 18 1HG MET 18 1.045 2.235 14.415
108 1HE MET 18 1HE MET 18 1.923 3.856 17.623
109 2HE MET 18 2HE MET 18 2.590 3.055 16.202
110 3HE MET 18 3HE MET 18 2.564 2.211 17.748
111 H GLU 19 H GLU 19 0.706 1.741 11.145
112 HA GLU 19 HA GLU 19 -0.379 4.316 11.495
113 1HB GLU 19 2HB GLU 19 0.916 2.829 9.329
114 2HB GLU 19 1HB GLU 19 -0.246 4.019 8.740
115 1HG GLU 19 2HG GLU 19 1.963 4.596 10.737
116 2HG GLU 19 1HG GLU 19 2.024 4.994 9.020
117 H TYR 20 H TYR 20 -1.997 5.296 9.835
118 HA TYR 20 HA TYR 20 -4.244 3.430 9.276
119 1HB TYR 20 2HB TYR 20 -4.640 4.501 11.490
120 2HB TYR 20 1HB TYR 20 -4.538 6.076 10.710
121 HD1 TYR 20 1HD TYR 20 -6.842 6.637 11.415
122 HD2 TYR 20 2HD TYR 20 -6.026 3.248 8.901
123 HE1 TYR 20 1HE TYR 20 -9.243 6.503 10.814
124 HE2 TYR 20 2HE TYR 20 -8.426 3.117 8.299
125 HH TYR 20 HH TYR 20 -10.426 5.067 8.290
126 H ARG 21 H ARG 21 -2.343 4.658 7.546
127 HA ARG 21 HA ARG 21 -3.571 6.990 6.297
128 1HB ARG 21 2HB ARG 21 -1.425 5.179 5.165
129 2HB ARG 21 1HB ARG 21 -1.785 6.833 4.675
130 1HG ARG 21 2HG ARG 21 -0.730 7.745 6.490
131 2HG ARG 21 1HG ARG 21 -1.201 6.421 7.558
132 1HD ARG 21 2HD ARG 21 1.090 6.040 7.343
133 2HD ARG 21 1HD ARG 21 0.445 5.013 6.063
134 HE ARG 21 HE ARG 21 1.033 6.844 4.462
135 1HH1 ARG 21 1HH2 ARG 21 3.418 5.747 6.221
136 2HH1 ARG 21 2HH2 ARG 21 4.300 7.223 6.436
137 1HH2 ARG 21 1HH1 ARG 21 1.706 9.247 5.344
138 2HH2 ARG 21 2HH1 ARG 21 3.333 9.204 5.942
139 HA PRO 22 HA PRO 22 -6.309 4.393 3.889
140 1HB PRO 22 2HB PRO 22 -7.692 6.489 2.774
141 2HB PRO 22 1HB PRO 22 -7.998 5.880 4.409
142 1HG PRO 22 2HG PRO 22 -6.605 8.377 3.569
143 2HG PRO 22 1HG PRO 22 -7.471 8.028 5.074
144 1HD PRO 22 2HD PRO 22 -4.660 8.030 4.739
145 2HD PRO 22 1HD PRO 22 -5.547 7.371 6.129
146 H LEU 23 H LEU 23 -5.412 3.506 2.037
147 HA LEU 23 HA LEU 23 -4.538 5.418 -0.089
148 1HB LEU 23 2HB LEU 23 -3.267 2.739 0.531
149 2HB LEU 23 1HB LEU 23 -2.733 3.909 -0.675
150 HG LEU 23 HG LEU 23 -2.846 4.437 2.305
151 1HD1 LEU 23 1HD1 LEU 23 -0.214 4.581 1.510
152 2HD1 LEU 23 2HD1 LEU 23 -0.818 3.226 0.557
153 3HD1 LEU 23 3HD1 LEU 23 -0.950 3.195 2.313
154 1HD2 LEU 23 1HD2 LEU 23 -2.345 6.597 1.821
155 2HD2 LEU 23 2HD2 LEU 23 -2.873 6.228 0.179
156 3HD2 LEU 23 3HD2 LEU 23 -1.163 6.125 0.600
157 H CYS 24 H CYS 24 -5.584 5.119 -1.988
158 HA CYS 24 HA CYS 24 -7.233 2.672 -2.326
159 1HB CYS 24 2HB CYS 24 -8.220 4.951 -2.727
160 2HB CYS 24 1HB CYS 24 -7.096 5.149 -4.071
161 H GLY 25 H GLY 25 -5.600 1.145 -2.898
162 1HA GLY 25 2HA GLY 25 -3.459 1.494 -4.669
163 2HA GLY 25 1HA GLY 25 -4.297 -0.040 -4.452
164 H SER 26 H SER 26 -3.213 1.181 -6.950
165 HA SER 26 HA SER 26 -5.181 2.282 -8.631
166 1HB SER 26 2HB SER 26 -3.073 2.133 -9.618
167 2HB SER 26 1HB SER 26 -2.846 0.461 -9.112
168 HG SER 26 HG SER 26 -3.896 -0.196 -10.824
169 H ASP 27 H ASP 27 -5.138 -0.870 -7.228
170 HA ASP 27 HA ASP 27 -6.889 -2.054 -9.268
171 1HB ASP 27 2HB ASP 27 -6.827 -4.040 -7.898
172 2HB ASP 27 1HB ASP 27 -5.192 -3.378 -7.951
173 H ASN 28 H ASN 28 -7.670 0.369 -7.550
174 HA ASN 28 HA ASN 28 -9.635 1.166 -6.559
175 1HB ASN 28 2HB ASN 28 -10.399 -0.655 -8.530
176 2HB ASN 28 1HB ASN 28 -11.299 -1.169 -7.103
177 1HD2 ASN 28 1HD2 ASN 28 -11.072 1.285 -9.563
178 2HD2 ASN 28 2HD2 ASN 28 -12.332 2.265 -8.988
179 H LYS 29 H LYS 29 -7.805 -0.363 -4.917
180 HA LYS 29 HA LYS 29 -9.769 -1.646 -3.052
181 1HB LYS 29 2HB LYS 29 -7.029 -2.438 -3.898
182 2HB LYS 29 1HB LYS 29 -7.435 -2.682 -2.199
183 1HG LYS 29 2HG LYS 29 -9.653 -3.710 -3.191
184 2HG LYS 29 1HG LYS 29 -8.664 -3.926 -4.635
185 1HD LYS 29 2HD LYS 29 -6.976 -4.812 -2.651
186 2HD LYS 29 1HD LYS 29 -8.551 -5.342 -2.058
187 1HE LYS 29 2HE LYS 29 -7.867 -5.798 -4.942
188 2HE LYS 29 1HE LYS 29 -7.176 -6.869 -3.722
189 1HZ LYS 29 1HZ LYS 29 -9.613 -6.949 -2.877
190 2HZ LYS 29 2HZ LYS 29 -9.143 -7.912 -4.197
191 3HZ LYS 29 3HZ LYS 29 -9.991 -6.464 -4.458
192 H THR 30 H THR 30 -9.462 -1.228 -0.789
193 HA THR 30 HA THR 30 -8.092 1.361 -0.280
194 HB THR 30 HB THR 30 -10.040 -0.198 1.443
195 HG1 THR 30 1HG THR 30 -11.558 0.933 0.499
196 1HG2 THR 30 1HG2 THR 30 -10.028 2.530 2.106
197 2HG2 THR 30 2HG2 THR 30 -8.330 2.084 1.947
198 3HG2 THR 30 3HG2 THR 30 -9.370 1.205 3.066
199 H TYR 31 H TYR 31 -6.445 1.539 1.282
200 HA TYR 31 HA TYR 31 -5.545 -1.015 2.532
201 1HB TYR 31 2HB TYR 31 -4.016 1.067 1.000
202 2HB TYR 31 1HB TYR 31 -3.212 0.093 2.225
203 HD1 TYR 31 1HD TYR 31 -3.575 0.241 -1.136
204 HD2 TYR 31 2HD TYR 31 -4.306 -2.517 2.072
205 HE1 TYR 31 1HE TYR 31 -3.447 -1.649 -2.735
206 HE2 TYR 31 2HE TYR 31 -4.178 -4.411 0.474
207 HH TYR 31 HH TYR 31 -4.381 -4.860 -1.858
208 H GLY 32 H GLY 32 -4.033 -0.569 4.413
209 1HA GLY 32 2HA GLY 32 -5.200 1.624 6.036
210 2HA GLY 32 1HA GLY 32 -4.291 0.251 6.670
211 H ASN 33 H ASN 33 -2.350 0.835 4.287
212 HA ASN 33 HA ASN 33 -1.145 3.350 4.607
213 1HB ASN 33 2HB ASN 33 0.794 2.601 6.150
214 2HB ASN 33 1HB ASN 33 -0.740 3.026 6.907
215 1HD2 ASN 33 1HD2 ASN 33 -1.548 1.480 8.334
216 2HD2 ASN 33 2HD2 ASN 33 -1.127 -0.164 8.329
217 H LYS 34 H LYS 34 1.277 3.241 4.015
218 HA LYS 34 HA LYS 34 1.572 1.824 1.598
219 1HB LYS 34 2HB LYS 34 3.605 2.879 1.412
220 2HB LYS 34 1HB LYS 34 2.909 3.867 2.690
221 1HG LYS 34 2HG LYS 34 4.703 1.462 3.153
222 2HG LYS 34 1HG LYS 34 5.239 3.142 3.203
223 1HD LYS 34 2HD LYS 34 2.892 2.803 4.854
224 2HD LYS 34 1HD LYS 34 4.138 1.648 5.327
225 1HE LYS 34 2HE LYS 34 4.441 4.654 5.094
226 2HE LYS 34 1HE LYS 34 4.499 3.698 6.574
227 1HZ LYS 34 1HZ LYS 34 6.701 3.804 6.168
228 2HZ LYS 34 2HZ LYS 34 6.509 4.038 4.496
229 3HZ LYS 34 3HZ LYS 34 6.373 2.480 5.162
230 H CYS 35 H CYS 35 1.874 0.630 4.803
231 HA CYS 35 HA CYS 35 3.819 -1.443 4.162
232 1HB CYS 35 2HB CYS 35 3.374 -0.558 6.484
233 2HB CYS 35 1HB CYS 35 1.829 -1.400 6.442
234 H ASN 36 H ASN 36 0.280 -1.255 4.485
235 HA ASN 36 HA ASN 36 -0.186 -4.019 3.790
236 1HB ASN 36 2HB ASN 36 -1.740 -1.904 4.689
237 2HB ASN 36 1HB ASN 36 -2.278 -2.106 3.023
238 1HD2 ASN 36 1HD2 ASN 36 -2.109 -3.681 6.181
239 2HD2 ASN 36 2HD2 ASN 36 -3.123 -4.983 5.787
240 H PHE 37 H PHE 37 0.753 -1.233 2.060
241 HA PHE 37 HA PHE 37 -0.304 -2.068 -0.539
242 1HB PHE 37 2HB PHE 37 0.003 0.332 0.051
243 2HB PHE 37 1HB PHE 37 1.741 0.057 0.174
244 HD1 PHE 37 1HD PHE 37 3.017 0.598 -1.687
245 HD2 PHE 37 2HD PHE 37 -1.034 -0.711 -2.237
246 HE1 PHE 37 1HE PHE 37 3.248 0.907 -4.136
247 HE2 PHE 37 2HE PHE 37 -0.812 -0.386 -4.683
248 HZ PHE 37 HZ PHE 37 1.336 0.417 -5.630
249 H CYS 38 H CYS 38 2.923 -1.863 0.986
250 HA CYS 38 HA CYS 38 4.355 -2.970 -1.230
251 1HB CYS 38 2HB CYS 38 5.085 -3.166 1.704
252 2HB CYS 38 1HB CYS 38 6.187 -3.275 0.335
253 H ASN 39 H ASN 39 2.673 -4.373 1.522
254 HA ASN 39 HA ASN 39 3.609 -7.082 0.986
255 1HB ASN 39 2HB ASN 39 1.587 -5.830 2.806
256 2HB ASN 39 1HB ASN 39 1.430 -7.552 2.458
257 1HD2 ASN 39 1HD2 ASN 39 3.670 -8.787 2.680
258 2HD2 ASN 39 2HD2 ASN 39 4.615 -8.352 4.022
259 H ALA 40 H ALA 40 0.651 -5.237 0.324
260 HA ALA 40 HA ALA 40 -0.768 -7.316 -1.018
261 1HB ALA 40 1HB ALA 40 -1.928 -5.263 -0.444
262 2HB ALA 40 2HB ALA 40 -1.929 -5.403 -2.203
263 3HB ALA 40 3HB ALA 40 -0.801 -4.305 -1.407
264 H VAL 41 H VAL 41 1.989 -5.430 -1.832
265 HA VAL 41 HA VAL 41 1.839 -5.893 -4.718
266 HB VAL 41 HB VAL 41 3.896 -4.727 -2.843
267 1HG1 VAL 41 1HG1 VAL 41 5.562 -5.275 -4.253
268 2HG1 VAL 41 2HG1 VAL 41 4.760 -4.321 -5.502
269 3HG1 VAL 41 3HG1 VAL 41 4.429 -6.047 -5.361
270 1HG2 VAL 41 1HG2 VAL 41 2.522 -2.983 -3.390
271 2HG2 VAL 41 2HG2 VAL 41 1.941 -3.771 -4.857
272 3HG2 VAL 41 3HG2 VAL 41 3.500 -2.948 -4.857
273 H VAL 42 H VAL 42 3.406 -7.339 -1.899
274 HA VAL 42 HA VAL 42 5.121 -9.114 -3.380
275 HB VAL 42 HB VAL 42 3.921 -9.567 -0.629
276 1HG1 VAL 42 1HG1 VAL 42 5.592 -11.152 -2.253
277 2HG1 VAL 42 2HG1 VAL 42 5.267 -11.372 -0.534
278 3HG1 VAL 42 3HG1 VAL 42 6.658 -10.419 -1.053
279 1HG2 VAL 42 1HG2 VAL 42 5.289 -7.341 -1.300
280 2HG2 VAL 42 2HG2 VAL 42 6.647 -8.421 -0.989
281 3HG2 VAL 42 3HG2 VAL 42 5.458 -8.114 0.277
282 H GLU 43 H GLU 43 1.749 -9.138 -2.552
283 HA GLU 43 HA GLU 43 1.483 -11.947 -3.510
284 1HB GLU 43 2HB GLU 43 -0.633 -10.147 -2.291
285 2HB GLU 43 1HB GLU 43 -0.758 -11.884 -2.576
286 1HG GLU 43 2HG GLU 43 1.472 -11.890 -1.091
287 2HG GLU 43 1HG GLU 43 0.740 -10.414 -0.458
288 H SER 44 H SER 44 1.327 -8.774 -4.626
289 HA SER 44 HA SER 44 -0.742 -9.380 -6.669
290 1HB SER 44 2HB SER 44 0.515 -6.892 -5.592
291 2HB SER 44 1HB SER 44 -0.063 -6.866 -7.256
292 HG SER 44 HG SER 44 -2.070 -7.744 -6.361
293 H ASN 45 H ASN 45 2.479 -9.912 -6.327
294 HA ASN 45 HA ASN 45 4.058 -10.568 -7.952
295 1HB ASN 45 2HB ASN 45 1.829 -10.994 -9.295
296 2HB ASN 45 1HB ASN 45 2.308 -9.532 -10.158
297 1HD2 ASN 45 1HD2 ASN 45 2.383 -12.632 -10.789
298 2HD2 ASN 45 2HD2 ASN 45 3.936 -12.834 -11.443
299 H GLY 46 H GLY 46 3.218 -7.602 -7.069
300 1HA GLY 46 2HA GLY 46 4.508 -5.617 -7.173
301 2HA GLY 46 1HA GLY 46 5.530 -6.383 -8.389
302 H THR 47 H THR 47 2.078 -6.416 -8.829
303 HA THR 47 HA THR 47 2.431 -4.472 -11.070
304 HB THR 47 HB THR 47 -0.053 -5.772 -11.341
305 HG1 THR 47 1HG THR 47 0.405 -7.886 -11.050
306 1HG2 THR 47 1HG2 THR 47 2.641 -6.201 -12.656
307 2HG2 THR 47 2HG2 THR 47 1.345 -5.138 -13.205
308 3HG2 THR 47 3HG2 THR 47 1.136 -6.890 -13.262
309 H LEU 48 H LEU 48 0.929 -4.954 -8.028
310 HA LEU 48 HA LEU 48 -1.353 -3.213 -8.420
311 1HB LEU 48 2HB LEU 48 -1.446 -4.766 -6.593
312 2HB LEU 48 1HB LEU 48 0.100 -4.206 -5.955
313 HG LEU 48 HG LEU 48 -0.841 -2.078 -5.350
314 1HD1 LEU 48 1HD1 LEU 48 -2.908 -2.906 -7.267
315 2HD1 LEU 48 2HD1 LEU 48 -2.408 -1.283 -6.783
316 3HD1 LEU 48 3HD1 LEU 48 -3.561 -2.181 -5.796
317 1HD2 LEU 48 1HD2 LEU 48 -3.098 -3.190 -4.189
318 2HD2 LEU 48 2HD2 LEU 48 -1.473 -3.233 -3.505
319 3HD2 LEU 48 3HD2 LEU 48 -2.063 -4.591 -4.466
320 H THR 49 H THR 49 -1.397 -0.981 -8.332
321 HA THR 49 HA THR 49 1.112 0.378 -7.432
322 HB THR 49 HB THR 49 0.874 1.974 -9.200
323 HG1 THR 49 1HG THR 49 -1.074 2.399 -9.797
324 1HG2 THR 49 1HG2 THR 49 0.697 0.372 -11.228
325 2HG2 THR 49 2HG2 THR 49 0.491 -0.898 -10.023
326 3HG2 THR 49 3HG2 THR 49 1.968 0.065 -10.044
327 H LEU 50 H LEU 50 -0.074 2.967 -7.917
328 HA LEU 50 HA LEU 50 -1.824 3.176 -5.530
329 1HB LEU 50 2HB LEU 50 -0.026 4.539 -5.022
330 2HB LEU 50 1HB LEU 50 0.367 4.820 -6.709
331 HG LEU 50 HG LEU 50 -1.681 6.312 -6.837
332 1HD1 LEU 50 1HD1 LEU 50 -1.570 6.569 -3.871
333 2HD1 LEU 50 2HD1 LEU 50 -2.443 5.182 -4.523
334 3HD1 LEU 50 3HD1 LEU 50 -2.923 6.817 -4.969
335 1HD2 LEU 50 1HD2 LEU 50 -0.556 8.171 -5.544
336 2HD2 LEU 50 2HD2 LEU 50 0.505 7.319 -6.664
337 3HD2 LEU 50 3HD2 LEU 50 0.585 6.971 -4.936
338 H SER 51 H SER 51 -3.789 4.316 -5.725
339 HA SER 51 HA SER 51 -4.568 5.051 -8.519
340 1HB SER 51 2HB SER 51 -5.800 3.224 -6.898
341 2HB SER 51 1HB SER 51 -6.697 4.686 -6.495
342 HG SER 51 HG SER 51 -7.300 4.894 -8.589
343 H HIS 52 H HIS 52 -4.694 5.962 -5.111
344 HA HIS 52 HA HIS 52 -4.345 8.703 -5.551
345 1HB HIS 52 2HB HIS 52 -6.390 9.652 -5.886
346 2HB HIS 52 1HB HIS 52 -6.858 8.050 -6.446
347 HD1 HIS 52 1HD HIS 52 -8.205 6.545 -4.753
348 HD2 HIS 52 2HD HIS 52 -7.524 10.437 -3.423
349 HE1 HIS 52 1HE HIS 52 -9.740 6.906 -2.771
350 H PHE 53 H PHE 53 -3.271 8.971 -3.683
351 HA PHE 53 HA PHE 53 -3.357 7.538 -1.342
352 1HB PHE 53 2HB PHE 53 -2.929 10.506 -1.749
353 2HB PHE 53 1HB PHE 53 -2.692 9.719 -0.194
354 HD1 PHE 53 1HD PHE 53 -1.559 9.791 -3.727
355 HD2 PHE 53 2HD PHE 53 -0.757 8.366 0.246
356 HE1 PHE 53 1HE PHE 53 0.698 9.062 -4.444
357 HE2 PHE 53 2HE PHE 53 1.509 7.635 -0.475
358 HZ PHE 53 HZ PHE 53 2.229 7.990 -2.823
359 H GLY 54 H GLY 54 -5.457 6.871 -0.759
360 1HA GLY 54 2HA GLY 54 -6.896 8.250 1.158
361 2HA GLY 54 1HA GLY 54 -7.614 8.784 -0.364
362 H LYS 55 H LYS 55 -9.039 7.243 1.574
363 HA LYS 55 HA LYS 55 -9.051 4.451 0.708
364 1HB LYS 55 2HB LYS 55 -11.082 4.309 2.177
365 2HB LYS 55 1HB LYS 55 -9.665 4.958 3.005
366 1HG LYS 55 2HG LYS 55 -11.062 7.126 1.748
367 2HG LYS 55 1HG LYS 55 -12.215 6.185 2.694
368 1HD LYS 55 2HD LYS 55 -11.419 7.134 4.568
369 2HD LYS 55 1HD LYS 55 -9.848 6.396 4.252
370 1HE LYS 55 2HE LYS 55 -8.967 8.400 3.733
371 2HE LYS 55 1HE LYS 55 -10.209 8.663 2.510
372 1HZ LYS 55 1HZ LYS 55 -11.255 10.073 3.840
373 2HZ LYS 55 2HZ LYS 55 -9.944 9.977 4.917
374 3HZ LYS 55 3HZ LYS 55 -11.286 8.956 5.116
375 H CYS 56 H CYS 56 -10.462 3.513 -0.755
376 HA CYS 56 HA CYS 56 -12.058 5.397 -2.397
377 1HB CYS 56 2HB CYS 56 -10.850 2.705 -2.809
378 2HB CYS 56 1HB CYS 56 -12.335 3.054 -3.689
Start of MODEL 4
1 1H ALA 3 1HT ALA 3 7.983 4.069 -8.212
2 2H ALA 3 2HT ALA 3 9.341 3.164 -8.684
3 3H ALA 3 3HT ALA 3 8.295 2.570 -7.484
4 HA ALA 3 HA ALA 3 7.927 2.675 -10.393
5 1HB ALA 3 1HB ALA 3 7.045 0.655 -8.312
6 2HB ALA 3 2HB ALA 3 8.620 0.604 -9.105
7 3HB ALA 3 3HB ALA 3 7.147 0.419 -10.057
8 H VAL 4 H VAL 4 6.293 3.350 -7.390
9 HA VAL 4 HA VAL 4 3.858 4.020 -8.957
10 HB VAL 4 HB VAL 4 3.973 1.755 -7.419
11 1HG1 VAL 4 1HG1 VAL 4 4.211 2.956 -5.311
12 2HG1 VAL 4 2HG1 VAL 4 2.603 2.237 -5.387
13 3HG1 VAL 4 3HG1 VAL 4 2.811 3.960 -5.689
14 1HG2 VAL 4 1HG2 VAL 4 1.347 2.292 -7.263
15 2HG2 VAL 4 2HG2 VAL 4 2.133 1.863 -8.782
16 3HG2 VAL 4 3HG2 VAL 4 1.817 3.556 -8.399
17 H SER 5 H SER 5 5.449 4.273 -5.786
18 HA SER 5 HA SER 5 5.489 7.097 -5.699
19 1HB SER 5 2HB SER 5 3.033 6.955 -5.692
20 2HB SER 5 1HB SER 5 3.088 5.875 -4.304
21 HG SER 5 HG SER 5 2.813 7.849 -3.432
22 H VAL 6 H VAL 6 4.556 4.479 -3.432
23 HA VAL 6 HA VAL 6 6.500 5.490 -1.463
24 HB VAL 6 HB VAL 6 5.618 3.688 -0.027
25 1HG1 VAL 6 1HG1 VAL 6 4.059 5.803 -1.244
26 2HG1 VAL 6 2HG1 VAL 6 4.044 5.233 0.425
27 3HG1 VAL 6 3HG1 VAL 6 3.019 4.456 -0.781
28 1HG2 VAL 6 1HG2 VAL 6 3.497 2.891 -1.896
29 2HG2 VAL 6 2HG2 VAL 6 4.504 1.889 -0.853
30 3HG2 VAL 6 3HG2 VAL 6 5.107 2.406 -2.427
31 H ASP 7 H ASP 7 8.040 3.829 -0.466
32 HA ASP 7 HA ASP 7 9.390 2.391 -2.680
33 1HB ASP 7 2HB ASP 7 10.541 3.982 -0.958
34 2HB ASP 7 1HB ASP 7 10.447 2.596 0.132
35 H CYS 8 H CYS 8 8.817 0.295 -2.955
36 HA CYS 8 HA CYS 8 8.185 -1.309 -0.509
37 1HB CYS 8 2HB CYS 8 7.215 -1.823 -3.335
38 2HB CYS 8 1HB CYS 8 6.699 -2.658 -1.869
39 H SER 9 H SER 9 10.852 -0.888 -1.602
40 HA SER 9 HA SER 9 11.495 -3.406 -3.006
41 1HB SER 9 2HB SER 9 12.723 -0.819 -2.730
42 2HB SER 9 1HB SER 9 13.862 -2.057 -2.210
43 HG SER 9 HG SER 9 12.415 -1.972 -4.657
44 H GLU 10 H GLU 10 10.783 -2.752 0.086
45 HA GLU 10 HA GLU 10 12.747 -4.769 1.089
46 1HB GLU 10 2HB GLU 10 12.297 -3.388 3.346
47 2HB GLU 10 1HB GLU 10 13.595 -2.957 2.233
48 1HG GLU 10 2HG GLU 10 10.845 -1.801 1.845
49 2HG GLU 10 1HG GLU 10 11.937 -1.092 3.035
50 H TYR 11 H TYR 11 10.299 -5.571 0.162
51 HA TYR 11 HA TYR 11 8.802 -6.112 2.693
52 1HB TYR 11 2HB TYR 11 7.819 -5.310 -0.019
53 2HB TYR 11 1HB TYR 11 6.829 -6.413 0.937
54 HD1 TYR 11 1HD TYR 11 5.558 -5.634 2.789
55 HD2 TYR 11 2HD TYR 11 8.537 -3.102 1.008
56 HE1 TYR 11 1HE TYR 11 4.757 -3.726 4.157
57 HE2 TYR 11 2HE TYR 11 7.735 -1.195 2.375
58 HH TYR 11 HH TYR 11 6.488 -0.953 4.637
59 HA PRO 12 HA PRO 12 6.677 -7.222 2.610
60 1HB PRO 12 2HB PRO 12 6.096 -9.352 4.248
61 2HB PRO 12 1HB PRO 12 5.443 -9.166 2.612
62 1HG PRO 12 2HG PRO 12 7.602 -10.988 3.579
63 2HG PRO 12 1HG PRO 12 6.489 -11.191 2.215
64 1HD PRO 12 2HD PRO 12 9.187 -10.394 2.019
65 2HD PRO 12 1HD PRO 12 7.963 -10.228 0.742
66 H LYS 13 H LYS 13 6.382 -6.767 4.996
67 HA LYS 13 HA LYS 13 9.048 -6.645 6.315
68 1HB LYS 13 2HB LYS 13 6.532 -5.187 7.147
69 2HB LYS 13 1HB LYS 13 8.197 -4.807 7.585
70 1HG LYS 13 2HG LYS 13 7.366 -4.827 4.693
71 2HG LYS 13 1HG LYS 13 7.041 -3.414 5.698
72 1HD LYS 13 2HD LYS 13 9.768 -4.694 5.345
73 2HD LYS 13 1HD LYS 13 9.223 -3.238 4.511
74 1HE LYS 13 2HE LYS 13 8.783 -2.224 6.796
75 2HE LYS 13 1HE LYS 13 9.620 -3.611 7.489
76 1HZ LYS 13 1HZ LYS 13 11.613 -3.003 6.512
77 2HZ LYS 13 2HZ LYS 13 10.960 -1.506 6.983
78 3HZ LYS 13 3HZ LYS 13 10.875 -2.002 5.360
79 HA PRO 14 HA PRO 14 7.741 -9.558 9.339
80 1HB PRO 14 2HB PRO 14 9.569 -8.910 11.288
81 2HB PRO 14 1HB PRO 14 9.980 -9.830 9.829
82 1HG PRO 14 2HG PRO 14 10.595 -6.988 10.490
83 2HG PRO 14 1HG PRO 14 11.460 -8.103 9.419
84 1HD PRO 14 2HD PRO 14 9.692 -6.048 8.596
85 2HD PRO 14 1HD PRO 14 10.305 -7.370 7.579
86 H ALA 15 H ALA 15 7.491 -6.189 9.699
87 HA ALA 15 HA ALA 15 5.388 -6.429 11.696
88 1HB ALA 15 1HB ALA 15 8.035 -5.142 12.419
89 2HB ALA 15 2HB ALA 15 7.228 -6.470 13.254
90 3HB ALA 15 3HB ALA 15 6.540 -4.847 13.309
91 H CYS 16 H CYS 16 4.166 -4.449 11.826
92 HA CYS 16 HA CYS 16 5.113 -2.244 10.067
93 1HB CYS 16 2HB CYS 16 2.593 -3.857 9.763
94 2HB CYS 16 1HB CYS 16 2.620 -2.164 9.262
95 H THR 17 H THR 17 4.346 -0.208 10.664
96 HA THR 17 HA THR 17 3.525 0.088 13.423
97 HB THR 17 HB THR 17 3.053 2.512 12.016
98 HG1 THR 17 1HG THR 17 4.222 2.147 10.305
99 1HG2 THR 17 1HG2 THR 17 5.323 3.056 13.140
100 2HG2 THR 17 2HG2 THR 17 5.228 1.418 13.787
101 3HG2 THR 17 3HG2 THR 17 3.975 2.594 14.181
102 H MET 18 H MET 18 1.527 1.270 14.081
103 HA MET 18 HA MET 18 -0.792 0.254 12.552
104 1HB MET 18 2HB MET 18 -0.246 1.018 15.323
105 2HB MET 18 1HB MET 18 -1.765 1.690 14.729
106 1HG MET 18 2HG MET 18 -2.765 -0.336 14.701
107 2HG MET 18 1HG MET 18 -1.378 -1.093 13.916
108 1HE MET 18 1HE MET 18 -2.763 -2.504 17.572
109 2HE MET 18 2HE MET 18 -2.572 -3.128 15.935
110 3HE MET 18 3HE MET 18 -3.548 -1.688 16.211
111 H GLU 19 H GLU 19 0.952 2.598 11.693
112 HA GLU 19 HA GLU 19 -0.298 5.081 12.024
113 1HB GLU 19 2HB GLU 19 1.758 4.995 10.803
114 2HB GLU 19 1HB GLU 19 1.088 3.877 9.617
115 1HG GLU 19 2HG GLU 19 1.128 6.076 8.612
116 2HG GLU 19 1HG GLU 19 -0.553 5.677 8.961
117 H TYR 20 H TYR 20 -1.925 6.191 10.811
118 HA TYR 20 HA TYR 20 -3.907 4.348 9.548
119 1HB TYR 20 2HB TYR 20 -4.309 6.123 11.555
120 2HB TYR 20 1HB TYR 20 -4.672 7.125 10.155
121 HD1 TYR 20 1HD TYR 20 -5.960 5.533 8.234
122 HD2 TYR 20 2HD TYR 20 -6.238 5.220 12.508
123 HE1 TYR 20 1HE TYR 20 -8.172 4.438 8.008
124 HE2 TYR 20 2HE TYR 20 -8.451 4.124 12.284
125 HH TYR 20 HH TYR 20 -10.355 4.285 9.952
126 H ARG 21 H ARG 21 -2.927 4.374 7.511
127 HA ARG 21 HA ARG 21 -3.297 6.920 6.000
128 1HB ARG 21 2HB ARG 21 -0.823 6.007 6.575
129 2HB ARG 21 1HB ARG 21 -1.136 5.072 5.112
130 1HG ARG 21 2HG ARG 21 -1.446 7.019 3.797
131 2HG ARG 21 1HG ARG 21 -1.635 8.048 5.219
132 1HD ARG 21 2HD ARG 21 0.896 6.741 5.420
133 2HD ARG 21 1HD ARG 21 0.768 7.427 3.801
134 HE ARG 21 HE ARG 21 0.002 9.242 5.987
135 1HH1 ARG 21 1HH1 ARG 21 2.923 7.897 5.178
136 2HH1 ARG 21 2HH1 ARG 21 3.695 9.373 4.703
137 1HH2 ARG 21 1HH2 ARG 21 0.775 11.239 4.797
138 2HH2 ARG 21 2HH2 ARG 21 2.479 11.265 4.489
139 HA PRO 22 HA PRO 22 -5.672 3.690 3.894
140 1HB PRO 22 2HB PRO 22 -7.530 5.443 2.883
141 2HB PRO 22 1HB PRO 22 -7.633 4.734 4.503
142 1HG PRO 22 2HG PRO 22 -6.852 7.506 3.713
143 2HG PRO 22 1HG PRO 22 -7.584 6.932 5.221
144 1HD PRO 22 2HD PRO 22 -4.858 7.572 4.860
145 2HD PRO 22 1HD PRO 22 -5.535 6.653 6.220
146 H LEU 23 H LEU 23 -4.609 3.058 2.048
147 HA LEU 23 HA LEU 23 -4.063 5.148 -0.025
148 1HB LEU 23 2HB LEU 23 -2.745 2.446 0.387
149 2HB LEU 23 1HB LEU 23 -2.317 3.616 -0.863
150 HG LEU 23 HG LEU 23 -2.011 3.896 2.134
151 1HD1 LEU 23 1HD1 LEU 23 -0.288 3.192 -0.029
152 2HD1 LEU 23 2HD1 LEU 23 0.133 3.403 1.671
153 3HD1 LEU 23 3HD1 LEU 23 0.216 4.774 0.565
154 1HD2 LEU 23 1HD2 LEU 23 -1.117 6.239 1.425
155 2HD2 LEU 23 2HD2 LEU 23 -2.862 6.020 1.554
156 3HD2 LEU 23 3HD2 LEU 23 -2.086 6.000 -0.029
157 H CYS 24 H CYS 24 -5.294 5.027 -1.835
158 HA CYS 24 HA CYS 24 -6.990 2.649 -2.245
159 1HB CYS 24 2HB CYS 24 -7.909 4.960 -2.499
160 2HB CYS 24 1HB CYS 24 -6.825 5.203 -3.869
161 H GLY 25 H GLY 25 -5.446 1.077 -2.964
162 1HA GLY 25 2HA GLY 25 -3.403 1.378 -4.834
163 2HA GLY 25 1HA GLY 25 -4.358 -0.099 -4.687
164 H SER 26 H SER 26 -3.314 1.135 -7.148
165 HA SER 26 HA SER 26 -5.252 2.558 -8.623
166 1HB SER 26 2HB SER 26 -2.832 1.862 -9.261
167 2HB SER 26 1HB SER 26 -3.585 0.396 -9.884
168 HG SER 26 HG SER 26 -3.717 1.725 -11.573
169 H ASP 27 H ASP 27 -5.423 -0.652 -7.441
170 HA ASP 27 HA ASP 27 -7.319 -1.551 -9.505
171 1HB ASP 27 2HB ASP 27 -7.373 -3.637 -8.269
172 2HB ASP 27 1HB ASP 27 -5.694 -3.113 -8.391
173 H ASN 28 H ASN 28 -7.826 0.781 -7.564
174 HA ASN 28 HA ASN 28 -9.687 1.648 -6.439
175 1HB ASN 28 2HB ASN 28 -10.679 -0.124 -8.422
176 2HB ASN 28 1HB ASN 28 -11.607 -0.434 -6.956
177 1HD2 ASN 28 1HD2 ASN 28 -13.500 0.625 -8.007
178 2HD2 ASN 28 2HD2 ASN 28 -13.574 2.319 -8.107
179 H LYS 29 H LYS 29 -7.866 -0.152 -5.066
180 HA LYS 29 HA LYS 29 -9.745 -1.497 -3.165
181 1HB LYS 29 2HB LYS 29 -7.883 -2.818 -4.419
182 2HB LYS 29 1HB LYS 29 -6.778 -2.017 -3.302
183 1HG LYS 29 2HG LYS 29 -7.283 -3.580 -1.769
184 2HG LYS 29 1HG LYS 29 -8.927 -2.943 -1.726
185 1HD LYS 29 2HD LYS 29 -9.751 -4.700 -2.892
186 2HD LYS 29 1HD LYS 29 -8.427 -4.649 -4.057
187 1HE LYS 29 2HE LYS 29 -8.151 -5.780 -1.259
188 2HE LYS 29 1HE LYS 29 -8.509 -6.763 -2.678
189 1HZ LYS 29 1HZ LYS 29 -6.244 -6.885 -2.623
190 2HZ LYS 29 2HZ LYS 29 -6.050 -5.322 -1.985
191 3HZ LYS 29 3HZ LYS 29 -6.435 -5.530 -3.626
192 H THR 30 H THR 30 -9.579 -0.975 -0.958
193 HA THR 30 HA THR 30 -8.030 1.491 -0.389
194 HB THR 30 HB THR 30 -10.188 0.048 1.178
195 HG1 THR 30 1HG THR 30 -11.463 1.435 0.244
196 1HG2 THR 30 1HG2 THR 30 -8.445 1.194 2.601
197 2HG2 THR 30 2HG2 THR 30 -10.072 1.848 2.776
198 3HG2 THR 30 3HG2 THR 30 -8.877 2.705 1.802
199 H TYR 31 H TYR 31 -6.318 1.522 1.032
200 HA TYR 31 HA TYR 31 -5.500 -1.086 2.223
201 1HB TYR 31 2HB TYR 31 -3.806 1.269 1.368
202 2HB TYR 31 1HB TYR 31 -3.217 -0.258 1.999
203 HD1 TYR 31 1HD TYR 31 -5.553 -1.824 0.495
204 HD2 TYR 31 2HD TYR 31 -2.504 0.945 -0.707
205 HE1 TYR 31 1HE TYR 31 -5.592 -2.775 -1.795
206 HE2 TYR 31 2HE TYR 31 -2.540 -0.005 -2.999
207 HH TYR 31 HH TYR 31 -4.822 -2.604 -3.868
208 H GLY 32 H GLY 32 -4.060 -0.744 4.201
209 1HA GLY 32 2HA GLY 32 -5.364 1.270 5.952
210 2HA GLY 32 1HA GLY 32 -4.434 -0.122 6.510
211 H ASN 33 H ASN 33 -2.416 0.633 4.291
212 HA ASN 33 HA ASN 33 -1.281 3.161 4.766
213 1HB ASN 33 2HB ASN 33 0.521 2.606 6.397
214 2HB ASN 33 1HB ASN 33 -1.084 2.545 7.118
215 1HD2 ASN 33 1HD2 ASN 33 0.315 1.072 8.675
216 2HD2 ASN 33 2HD2 ASN 33 0.338 -0.582 8.297
217 H LYS 34 H LYS 34 1.121 3.164 4.202
218 HA LYS 34 HA LYS 34 1.587 1.887 1.754
219 1HB LYS 34 2HB LYS 34 3.959 2.496 2.069
220 2HB LYS 34 1HB LYS 34 2.897 3.819 2.554
221 1HG LYS 34 2HG LYS 34 3.049 2.901 4.928
222 2HG LYS 34 1HG LYS 34 4.349 1.859 4.345
223 1HD LYS 34 2HD LYS 34 5.820 3.555 4.469
224 2HD LYS 34 1HD LYS 34 4.799 4.558 3.439
225 1HE LYS 34 2HE LYS 34 5.048 5.702 5.553
226 2HE LYS 34 1HE LYS 34 3.400 5.083 5.470
227 1HZ LYS 34 1HZ LYS 34 3.795 3.546 7.063
228 2HZ LYS 34 2HZ LYS 34 4.958 4.684 7.552
229 3HZ LYS 34 3HZ LYS 34 5.422 3.333 6.633
230 H CYS 35 H CYS 35 1.770 0.529 4.925
231 HA CYS 35 HA CYS 35 3.692 -1.549 4.313
232 1HB CYS 35 2HB CYS 35 3.335 -1.089 6.629
233 2HB CYS 35 1HB CYS 35 1.586 -1.225 6.461
234 H ASN 36 H ASN 36 0.151 -1.324 4.282
235 HA ASN 36 HA ASN 36 -0.168 -4.063 3.378
236 1HB ASN 36 2HB ASN 36 -1.802 -1.887 4.347
237 2HB ASN 36 1HB ASN 36 -2.502 -2.573 2.891
238 1HD2 ASN 36 1HD2 ASN 36 -0.921 -3.751 5.913
239 2HD2 ASN 36 2HD2 ASN 36 -1.987 -5.053 6.145
240 H PHE 37 H PHE 37 0.609 -1.081 1.916
241 HA PHE 37 HA PHE 37 -0.574 -1.716 -0.701
242 1HB PHE 37 2HB PHE 37 -0.308 0.651 0.015
243 2HB PHE 37 1HB PHE 37 1.439 0.417 0.089
244 HD1 PHE 37 1HD PHE 37 2.613 -0.450 -2.057
245 HD2 PHE 37 2HD PHE 37 -1.310 1.297 -2.035
246 HE1 PHE 37 1HE PHE 37 2.798 0.001 -4.488
247 HE2 PHE 37 2HE PHE 37 -1.127 1.746 -4.466
248 HZ PHE 37 HZ PHE 37 0.928 1.098 -5.691
249 H CYS 38 H CYS 38 2.669 -1.612 0.762
250 HA CYS 38 HA CYS 38 4.005 -2.586 -1.615
251 1HB CYS 38 2HB CYS 38 4.889 -2.539 1.289
252 2HB CYS 38 1HB CYS 38 5.939 -2.914 -0.078
253 H ASN 39 H ASN 39 2.589 -4.067 1.254
254 HA ASN 39 HA ASN 39 3.658 -6.712 0.707
255 1HB ASN 39 2HB ASN 39 1.724 -5.512 2.619
256 2HB ASN 39 1HB ASN 39 1.462 -7.213 2.230
257 1HD2 ASN 39 1HD2 ASN 39 2.450 -6.104 4.814
258 2HD2 ASN 39 2HD2 ASN 39 3.980 -6.795 5.064
259 H ALA 40 H ALA 40 0.562 -5.075 0.122
260 HA ALA 40 HA ALA 40 -0.738 -7.276 -1.158
261 1HB ALA 40 1HB ALA 40 -2.293 -5.606 -0.891
262 2HB ALA 40 2HB ALA 40 -1.751 -5.133 -2.501
263 3HB ALA 40 3HB ALA 40 -1.094 -4.326 -1.079
264 H VAL 41 H VAL 41 1.765 -5.086 -2.096
265 HA VAL 41 HA VAL 41 1.591 -5.641 -4.958
266 HB VAL 41 HB VAL 41 3.690 -4.310 -3.226
267 1HG1 VAL 41 1HG1 VAL 41 3.855 -5.338 -5.958
268 2HG1 VAL 41 2HG1 VAL 41 5.136 -4.731 -4.911
269 3HG1 VAL 41 3HG1 VAL 41 4.175 -3.607 -5.871
270 1HG2 VAL 41 1HG2 VAL 41 2.374 -2.834 -5.403
271 2HG2 VAL 41 2HG2 VAL 41 2.621 -2.369 -3.719
272 3HG2 VAL 41 3HG2 VAL 41 1.256 -3.395 -4.160
273 H VAL 42 H VAL 42 3.375 -6.896 -2.177
274 HA VAL 42 HA VAL 42 5.046 -8.614 -3.893
275 HB VAL 42 HB VAL 42 4.738 -8.474 -0.879
276 1HG1 VAL 42 1HG1 VAL 42 6.905 -9.785 -0.939
277 2HG1 VAL 42 2HG1 VAL 42 6.617 -10.049 -2.659
278 3HG1 VAL 42 3HG1 VAL 42 5.485 -10.688 -1.467
279 1HG2 VAL 42 1HG2 VAL 42 7.179 -7.577 -1.263
280 2HG2 VAL 42 2HG2 VAL 42 5.812 -6.489 -1.501
281 3HG2 VAL 42 3HG2 VAL 42 6.598 -7.235 -2.892
282 H GLU 43 H GLU 43 1.919 -8.729 -2.623
283 HA GLU 43 HA GLU 43 1.884 -11.691 -2.434
284 1HB GLU 43 2HB GLU 43 -0.197 -9.570 -1.827
285 2HB GLU 43 1HB GLU 43 -0.519 -11.301 -1.736
286 1HG GLU 43 2HG GLU 43 1.926 -10.477 -0.322
287 2HG GLU 43 1HG GLU 43 0.450 -9.775 0.341
288 H SER 44 H SER 44 0.863 -9.051 -4.495
289 HA SER 44 HA SER 44 -0.737 -10.876 -6.191
290 1HB SER 44 2HB SER 44 -1.178 -8.308 -5.583
291 2HB SER 44 1HB SER 44 -0.163 -8.060 -6.998
292 HG SER 44 HG SER 44 -2.368 -8.241 -7.558
293 H ASN 45 H ASN 45 2.384 -10.677 -5.813
294 HA ASN 45 HA ASN 45 4.150 -11.323 -7.236
295 1HB ASN 45 2HB ASN 45 2.092 -12.345 -8.554
296 2HB ASN 45 1HB ASN 45 2.418 -11.010 -9.661
297 1HD2 ASN 45 1HD2 ASN 45 4.699 -13.037 -7.745
298 2HD2 ASN 45 2HD2 ASN 45 5.588 -13.570 -9.090
299 H GLY 46 H GLY 46 2.531 -8.441 -7.193
300 1HA GLY 46 2HA GLY 46 3.901 -6.398 -7.469
301 2HA GLY 46 1HA GLY 46 4.647 -7.160 -8.873
302 H THR 47 H THR 47 1.257 -7.647 -8.515
303 HA THR 47 HA THR 47 0.802 -5.817 -10.823
304 HB THR 47 HB THR 47 -1.233 -7.109 -11.213
305 HG1 THR 47 1HG THR 47 -1.570 -8.940 -9.777
306 1HG2 THR 47 1HG2 THR 47 0.024 -8.639 -12.273
307 2HG2 THR 47 2HG2 THR 47 0.353 -9.459 -10.747
308 3HG2 THR 47 3HG2 THR 47 1.402 -8.149 -11.286
309 H LEU 48 H LEU 48 1.095 -4.607 -8.288
310 HA LEU 48 HA LEU 48 -1.670 -3.562 -7.898
311 1HB LEU 48 2HB LEU 48 -0.986 -5.225 -6.087
312 2HB LEU 48 1HB LEU 48 0.238 -4.053 -5.602
313 HG LEU 48 HG LEU 48 -2.199 -2.628 -5.911
314 1HD1 LEU 48 1HD1 LEU 48 -2.467 -5.322 -4.621
315 2HD1 LEU 48 2HD1 LEU 48 -3.619 -4.450 -5.632
316 3HD1 LEU 48 3HD1 LEU 48 -3.369 -3.961 -3.956
317 1HD2 LEU 48 1HD2 LEU 48 -0.241 -2.229 -4.350
318 2HD2 LEU 48 2HD2 LEU 48 -0.864 -3.539 -3.346
319 3HD2 LEU 48 3HD2 LEU 48 -1.826 -2.081 -3.589
320 H THR 49 H THR 49 -1.522 -1.472 -8.505
321 HA THR 49 HA THR 49 0.962 0.039 -7.815
322 HB THR 49 HB THR 49 0.195 1.617 -9.620
323 HG1 THR 49 1HG THR 49 -1.651 -0.470 -10.127
324 1HG2 THR 49 1HG2 THR 49 0.574 -1.286 -10.388
325 2HG2 THR 49 2HG2 THR 49 1.853 -0.101 -10.118
326 3HG2 THR 49 3HG2 THR 49 0.757 0.081 -11.488
327 H LEU 50 H LEU 50 -0.286 2.613 -8.200
328 HA LEU 50 HA LEU 50 -2.066 2.660 -5.804
329 1HB LEU 50 2HB LEU 50 -0.608 4.106 -4.877
330 2HB LEU 50 1HB LEU 50 0.424 3.975 -6.291
331 HG LEU 50 HG LEU 50 -1.415 5.747 -7.236
332 1HD1 LEU 50 1HD1 LEU 50 -2.205 5.538 -4.624
333 2HD1 LEU 50 2HD1 LEU 50 -2.472 6.957 -5.636
334 3HD1 LEU 50 3HD1 LEU 50 -1.086 6.900 -4.549
335 1HD2 LEU 50 1HD2 LEU 50 0.291 7.475 -6.093
336 2HD2 LEU 50 2HD2 LEU 50 0.760 6.459 -7.457
337 3HD2 LEU 50 3HD2 LEU 50 1.190 5.984 -5.813
338 H SER 51 H SER 51 -3.731 4.321 -5.828
339 HA SER 51 HA SER 51 -4.445 5.248 -8.582
340 1HB SER 51 2HB SER 51 -5.873 3.410 -7.011
341 2HB SER 51 1HB SER 51 -6.743 4.931 -6.824
342 HG SER 51 HG SER 51 -6.753 5.086 -9.118
343 H HIS 52 H HIS 52 -4.330 5.871 -5.151
344 HA HIS 52 HA HIS 52 -3.972 8.614 -5.288
345 1HB HIS 52 2HB HIS 52 -5.933 9.508 -5.955
346 2HB HIS 52 1HB HIS 52 -6.654 7.906 -6.047
347 HD1 HIS 52 1HD HIS 52 -8.504 7.455 -4.438
348 HD2 HIS 52 2HD HIS 52 -6.095 10.609 -3.161
349 HE1 HIS 52 1HE HIS 52 -9.596 8.387 -2.351
350 H PHE 53 H PHE 53 -2.858 8.494 -3.381
351 HA PHE 53 HA PHE 53 -3.315 6.856 -1.192
352 1HB PHE 53 2HB PHE 53 -2.138 9.614 -1.440
353 2HB PHE 53 1HB PHE 53 -2.292 8.854 0.141
354 HD1 PHE 53 1HD PHE 53 -1.862 6.753 -2.817
355 HD2 PHE 53 2HD PHE 53 0.189 8.764 0.376
356 HE1 PHE 53 1HE PHE 53 0.163 5.400 -3.269
357 HE2 PHE 53 2HE PHE 53 2.220 7.406 -0.077
358 HZ PHE 53 HZ PHE 53 2.202 5.726 -1.901
359 H GLY 54 H GLY 54 -5.403 6.574 -0.522
360 1HA GLY 54 2HA GLY 54 -6.645 7.993 1.427
361 2HA GLY 54 1HA GLY 54 -7.156 8.878 -0.014
362 H LYS 55 H LYS 55 -8.426 6.782 1.995
363 HA LYS 55 HA LYS 55 -9.171 4.450 0.650
364 1HB LYS 55 2HB LYS 55 -11.338 4.614 1.936
365 2HB LYS 55 1HB LYS 55 -9.897 4.825 2.931
366 1HG LYS 55 2HG LYS 55 -10.145 7.275 2.780
367 2HG LYS 55 1HG LYS 55 -11.588 7.068 1.784
368 1HD LYS 55 2HD LYS 55 -12.461 5.611 3.758
369 2HD LYS 55 1HD LYS 55 -11.203 6.418 4.699
370 1HE LYS 55 2HE LYS 55 -12.311 8.556 3.437
371 2HE LYS 55 1HE LYS 55 -13.724 7.511 3.586
372 1HZ LYS 55 1HZ LYS 55 -12.388 9.005 5.590
373 2HZ LYS 55 2HZ LYS 55 -12.404 7.356 6.003
374 3HZ LYS 55 3HZ LYS 55 -13.861 8.169 5.683
375 H CYS 56 H CYS 56 -10.465 4.001 -1.096
376 HA CYS 56 HA CYS 56 -11.452 6.282 -2.666
377 1HB CYS 56 2HB CYS 56 -11.077 3.354 -3.113
378 2HB CYS 56 1HB CYS 56 -12.292 4.175 -4.091
Start of MODEL 5
1 1H ALA 3 1HT ALA 3 6.108 -0.568 -9.887
2 2H ALA 3 2HT ALA 3 4.661 0.312 -10.029
3 3H ALA 3 3HT ALA 3 5.191 -0.216 -8.503
4 HA ALA 3 HA ALA 3 6.697 1.434 -8.272
5 1HB ALA 3 1HB ALA 3 6.979 1.116 -11.253
6 2HB ALA 3 2HB ALA 3 8.204 0.921 -10.000
7 3HB ALA 3 3HB ALA 3 7.644 2.534 -10.444
8 H VAL 4 H VAL 4 5.011 2.728 -7.448
9 HA VAL 4 HA VAL 4 4.088 4.852 -9.282
10 HB VAL 4 HB VAL 4 2.314 3.191 -9.484
11 1HG1 VAL 4 1HG1 VAL 4 1.945 1.794 -7.757
12 2HG1 VAL 4 2HG1 VAL 4 1.203 3.134 -6.882
13 3HG1 VAL 4 3HG1 VAL 4 2.923 2.800 -6.688
14 1HG2 VAL 4 1HG2 VAL 4 0.424 4.539 -8.469
15 2HG2 VAL 4 2HG2 VAL 4 1.547 5.482 -9.447
16 3HG2 VAL 4 3HG2 VAL 4 1.646 5.540 -7.687
17 H SER 5 H SER 5 4.422 6.728 -8.212
18 HA SER 5 HA SER 5 4.823 8.208 -6.432
19 1HB SER 5 2HB SER 5 2.407 8.105 -6.253
20 2HB SER 5 1HB SER 5 2.492 6.582 -5.372
21 HG SER 5 HG SER 5 2.615 9.070 -4.428
22 H VAL 6 H VAL 6 3.693 5.778 -4.175
23 HA VAL 6 HA VAL 6 5.960 5.985 -2.487
24 HB VAL 6 HB VAL 6 3.675 5.009 -1.916
25 1HG1 VAL 6 1HG1 VAL 6 3.440 2.568 -2.283
26 2HG1 VAL 6 2HG1 VAL 6 4.929 2.580 -3.229
27 3HG1 VAL 6 3HG1 VAL 6 3.511 3.453 -3.807
28 1HG2 VAL 6 1HG2 VAL 6 5.546 2.953 -0.974
29 2HG2 VAL 6 2HG2 VAL 6 4.651 4.162 -0.053
30 3HG2 VAL 6 3HG2 VAL 6 6.181 4.591 -0.817
31 H ASP 7 H ASP 7 7.619 4.355 -2.049
32 HA ASP 7 HA ASP 7 8.388 2.852 -4.518
33 1HB ASP 7 2HB ASP 7 9.837 4.823 -3.357
34 2HB ASP 7 1HB ASP 7 10.437 3.436 -2.445
35 H CYS 8 H CYS 8 7.103 1.030 -3.755
36 HA CYS 8 HA CYS 8 7.769 -0.217 -1.190
37 1HB CYS 8 2HB CYS 8 6.095 -1.189 -3.524
38 2HB CYS 8 1HB CYS 8 6.211 -1.998 -1.961
39 H SER 9 H SER 9 10.118 0.013 -2.723
40 HA SER 9 HA SER 9 10.579 -2.611 -3.990
41 1HB SER 9 2HB SER 9 11.535 -0.283 -4.734
42 2HB SER 9 1HB SER 9 12.731 -0.576 -3.476
43 HG SER 9 HG SER 9 12.760 -2.786 -4.630
44 H GLU 10 H GLU 10 10.500 -1.528 -0.865
45 HA GLU 10 HA GLU 10 12.736 -3.338 -0.038
46 1HB GLU 10 2HB GLU 10 12.838 -2.084 2.037
47 2HB GLU 10 1HB GLU 10 12.889 -0.936 0.700
48 1HG GLU 10 2HG GLU 10 10.379 -0.692 0.941
49 2HG GLU 10 1HG GLU 10 10.504 -1.635 2.428
50 H TYR 11 H TYR 11 10.146 -4.315 -0.819
51 HA TYR 11 HA TYR 11 9.134 -5.285 1.825
52 1HB TYR 11 2HB TYR 11 7.716 -4.325 -0.624
53 2HB TYR 11 1HB TYR 11 6.969 -5.630 0.292
54 HD1 TYR 11 1HD TYR 11 5.807 -5.171 2.313
55 HD2 TYR 11 2HD TYR 11 8.454 -2.229 0.641
56 HE1 TYR 11 1HE TYR 11 5.048 -3.522 4.008
57 HE2 TYR 11 2HE TYR 11 7.697 -0.582 2.325
58 HH TYR 11 HH TYR 11 5.287 -0.424 3.791
59 HA PRO 12 HA PRO 12 7.043 -6.586 1.787
60 1HB PRO 12 2HB PRO 12 6.692 -8.955 3.122
61 2HB PRO 12 1HB PRO 12 5.943 -8.592 1.557
62 1HG PRO 12 2HG PRO 12 8.254 -10.381 2.163
63 2HG PRO 12 1HG PRO 12 7.093 -10.459 0.827
64 1HD PRO 12 2HD PRO 12 9.730 -9.452 0.670
65 2HD PRO 12 1HD PRO 12 8.455 -9.228 -0.545
66 H LYS 13 H LYS 13 6.805 -6.749 4.283
67 HA LYS 13 HA LYS 13 9.528 -6.725 5.526
68 1HB LYS 13 2HB LYS 13 7.231 -5.145 6.652
69 2HB LYS 13 1HB LYS 13 8.961 -4.849 6.802
70 1HG LYS 13 2HG LYS 13 7.712 -4.705 4.079
71 2HG LYS 13 1HG LYS 13 7.484 -3.359 5.193
72 1HD LYS 13 2HD LYS 13 10.204 -4.524 4.556
73 2HD LYS 13 1HD LYS 13 9.508 -3.161 3.680
74 1HE LYS 13 2HE LYS 13 9.775 -3.171 6.690
75 2HE LYS 13 1HE LYS 13 11.048 -2.564 5.631
76 1HZ LYS 13 1HZ LYS 13 9.906 -0.656 5.826
77 2HZ LYS 13 2HZ LYS 13 8.453 -1.426 6.254
78 3HZ LYS 13 3HZ LYS 13 8.918 -1.325 4.622
79 HA PRO 14 HA PRO 14 7.938 -9.669 8.376
80 1HB PRO 14 2HB PRO 14 9.585 -9.139 10.514
81 2HB PRO 14 1HB PRO 14 10.114 -10.000 9.057
82 1HG PRO 14 2HG PRO 14 10.709 -7.205 9.903
83 2HG PRO 14 1HG PRO 14 11.646 -8.285 8.859
84 1HD PRO 14 2HD PRO 14 9.986 -6.159 7.990
85 2HD PRO 14 1HD PRO 14 10.671 -7.437 6.963
86 H ALA 15 H ALA 15 7.851 -6.278 9.069
87 HA ALA 15 HA ALA 15 5.397 -6.457 10.526
88 1HB ALA 15 1HB ALA 15 6.984 -7.357 12.268
89 2HB ALA 15 2HB ALA 15 6.116 -5.906 12.769
90 3HB ALA 15 3HB ALA 15 7.800 -5.792 12.252
91 H CYS 16 H CYS 16 4.484 -4.400 10.760
92 HA CYS 16 HA CYS 16 6.236 -2.097 10.018
93 1HB CYS 16 2HB CYS 16 3.834 -1.258 9.089
94 2HB CYS 16 1HB CYS 16 5.005 -2.109 8.085
95 H THR 17 H THR 17 4.374 -0.062 10.379
96 HA THR 17 HA THR 17 3.915 -0.264 13.318
97 HB THR 17 HB THR 17 3.522 2.391 12.354
98 HG1 THR 17 1HG THR 17 5.943 2.351 11.658
99 1HG2 THR 17 1HG2 THR 17 5.931 2.445 13.600
100 2HG2 THR 17 2HG2 THR 17 5.325 0.888 14.167
101 3HG2 THR 17 3HG2 THR 17 4.396 2.357 14.467
102 H MET 18 H MET 18 1.985 1.230 14.010
103 HA MET 18 HA MET 18 -0.373 0.282 12.497
104 1HB MET 18 2HB MET 18 0.074 1.497 15.216
105 2HB MET 18 1HB MET 18 -1.541 1.498 14.504
106 1HG MET 18 2HG MET 18 -1.091 -1.032 14.066
107 2HG MET 18 1HG MET 18 0.171 -0.852 15.284
108 1HE MET 18 1HE MET 18 -1.136 -2.298 17.625
109 2HE MET 18 2HE MET 18 -1.137 -0.743 18.450
110 3HE MET 18 3HE MET 18 0.094 -1.088 17.239
111 H GLU 19 H GLU 19 1.542 2.567 11.712
112 HA GLU 19 HA GLU 19 0.380 5.094 11.932
113 1HB GLU 19 2HB GLU 19 2.520 4.646 10.761
114 2HB GLU 19 1HB GLU 19 1.626 3.897 9.438
115 1HG GLU 19 2HG GLU 19 2.133 6.203 8.840
116 2HG GLU 19 1HG GLU 19 0.397 6.048 9.108
117 H TYR 20 H TYR 20 -1.627 5.828 11.401
118 HA TYR 20 HA TYR 20 -3.367 4.156 9.732
119 1HB TYR 20 2HB TYR 20 -3.815 5.933 11.809
120 2HB TYR 20 1HB TYR 20 -4.387 6.807 10.390
121 HD1 TYR 20 1HD TYR 20 -5.358 4.679 8.640
122 HD2 TYR 20 2HD TYR 20 -5.727 5.105 12.899
123 HE1 TYR 20 1HE TYR 20 -7.410 3.287 8.603
124 HE2 TYR 20 2HE TYR 20 -7.778 3.712 12.862
125 HH TYR 20 HH TYR 20 -8.645 1.789 10.315
126 H ARG 21 H ARG 21 -2.829 4.266 7.630
127 HA ARG 21 HA ARG 21 -2.946 6.933 6.319
128 1HB ARG 21 2HB ARG 21 -0.553 6.271 6.599
129 2HB ARG 21 1HB ARG 21 -0.884 4.808 5.672
130 1HG ARG 21 2HG ARG 21 -0.132 6.208 3.982
131 2HG ARG 21 1HG ARG 21 -1.866 6.530 3.917
132 1HD ARG 21 2HD ARG 21 -1.510 8.470 5.464
133 2HD ARG 21 1HD ARG 21 0.227 8.189 5.353
134 HE ARG 21 HE ARG 21 -0.337 8.450 2.746
135 1HH1 ARG 21 1HH1 ARG 21 -2.823 9.718 4.443
136 2HH1 ARG 21 2HH1 ARG 21 -2.553 11.377 4.023
137 1HH2 ARG 21 1HH2 ARG 21 0.574 10.796 2.643
138 2HH2 ARG 21 2HH2 ARG 21 -0.630 11.987 3.010
139 HA PRO 22 HA PRO 22 -5.730 4.169 4.093
140 1HB PRO 22 2HB PRO 22 -7.239 6.213 3.042
141 2HB PRO 22 1HB PRO 22 -7.482 5.547 4.665
142 1HG PRO 22 2HG PRO 22 -6.229 8.133 3.862
143 2HG PRO 22 1HG PRO 22 -7.058 7.707 5.370
144 1HD PRO 22 2HD PRO 22 -4.260 7.865 5.013
145 2HD PRO 22 1HD PRO 22 -5.093 7.105 6.387
146 H LEU 23 H LEU 23 -4.713 3.343 2.295
147 HA LEU 23 HA LEU 23 -3.986 5.260 0.113
148 1HB LEU 23 2HB LEU 23 -2.661 2.734 1.083
149 2HB LEU 23 1HB LEU 23 -2.425 3.290 -0.579
150 HG LEU 23 HG LEU 23 -1.892 4.944 1.911
151 1HD1 LEU 23 1HD1 LEU 23 0.413 4.483 0.273
152 2HD1 LEU 23 2HD1 LEU 23 -0.331 2.925 0.633
153 3HD1 LEU 23 3HD1 LEU 23 0.150 3.998 1.949
154 1HD2 LEU 23 1HD2 LEU 23 -0.588 6.041 -0.295
155 2HD2 LEU 23 2HD2 LEU 23 -2.065 6.658 0.444
156 3HD2 LEU 23 3HD2 LEU 23 -2.160 5.561 -0.933
157 H CYS 24 H CYS 24 -5.304 5.030 -1.658
158 HA CYS 24 HA CYS 24 -6.874 2.535 -1.896
159 1HB CYS 24 2HB CYS 24 -7.060 5.281 -3.024
160 2HB CYS 24 1HB CYS 24 -7.652 3.967 -4.046
161 H GLY 25 H GLY 25 -5.781 0.886 -2.880
162 1HA GLY 25 2HA GLY 25 -3.589 1.355 -4.716
163 2HA GLY 25 1HA GLY 25 -4.305 -0.213 -4.347
164 H SER 26 H SER 26 -3.552 0.779 -6.977
165 HA SER 26 HA SER 26 -5.589 1.799 -8.583
166 1HB SER 26 2HB SER 26 -3.872 1.414 -10.000
167 2HB SER 26 1HB SER 26 -3.212 0.155 -8.963
168 HG SER 26 HG SER 26 -3.980 -1.205 -10.349
169 H ASP 27 H ASP 27 -5.587 -1.214 -6.894
170 HA ASP 27 HA ASP 27 -7.565 -2.497 -8.630
171 1HB ASP 27 2HB ASP 27 -7.564 -4.273 -6.962
172 2HB ASP 27 1HB ASP 27 -5.898 -3.785 -7.278
173 H ASN 28 H ASN 28 -8.064 0.175 -7.139
174 HA ASN 28 HA ASN 28 -9.876 1.213 -6.082
175 1HB ASN 28 2HB ASN 28 -10.899 -0.726 -7.885
176 2HB ASN 28 1HB ASN 28 -11.860 -0.848 -6.410
177 1HD2 ASN 28 1HD2 ASN 28 -13.671 0.145 -7.695
178 2HD2 ASN 28 2HD2 ASN 28 -13.694 1.827 -7.930
179 H LYS 29 H LYS 29 -8.158 -0.322 -4.405
180 HA LYS 29 HA LYS 29 -10.169 -1.336 -2.424
181 1HB LYS 29 2HB LYS 29 -8.140 -2.813 -3.621
182 2HB LYS 29 1HB LYS 29 -7.470 -2.379 -2.049
183 1HG LYS 29 2HG LYS 29 -9.989 -3.068 -1.315
184 2HG LYS 29 1HG LYS 29 -9.771 -4.131 -2.705
185 1HD LYS 29 2HD LYS 29 -7.357 -4.379 -1.395
186 2HD LYS 29 1HD LYS 29 -8.500 -4.235 -0.060
187 1HE LYS 29 2HE LYS 29 -8.871 -6.142 -2.383
188 2HE LYS 29 1HE LYS 29 -8.137 -6.604 -0.847
189 1HZ LYS 29 1HZ LYS 29 -10.842 -6.474 -1.468
190 2HZ LYS 29 2HZ LYS 29 -10.539 -5.221 -0.361
191 3HZ LYS 29 3HZ LYS 29 -10.140 -6.826 0.034
192 H THR 30 H THR 30 -9.733 -0.855 -0.212
193 HA THR 30 HA THR 30 -8.073 1.569 0.144
194 HB THR 30 HB THR 30 -9.862 0.189 2.165
195 HG1 THR 30 1HG THR 30 -10.775 1.014 0.059
196 1HG2 THR 30 1HG2 THR 30 -8.445 1.704 3.293
197 2HG2 THR 30 2HG2 THR 30 -9.918 2.631 3.005
198 3HG2 THR 30 3HG2 THR 30 -8.506 2.874 1.974
199 H TYR 31 H TYR 31 -6.245 1.614 1.484
200 HA TYR 31 HA TYR 31 -5.355 -1.038 2.526
201 1HB TYR 31 2HB TYR 31 -3.916 1.196 1.145
202 2HB TYR 31 1HB TYR 31 -3.036 0.183 2.287
203 HD1 TYR 31 1HD TYR 31 -4.315 0.440 -1.049
204 HD2 TYR 31 2HD TYR 31 -3.226 -2.381 2.001
205 HE1 TYR 31 1HE TYR 31 -4.174 -1.352 -2.757
206 HE2 TYR 31 2HE TYR 31 -3.081 -4.173 0.292
207 HH TYR 31 HH TYR 31 -4.385 -4.346 -2.287
208 H GLY 32 H GLY 32 -4.070 -0.973 4.503
209 1HA GLY 32 2HA GLY 32 -5.118 0.994 6.400
210 2HA GLY 32 1HA GLY 32 -4.054 -0.358 6.792
211 H ASN 33 H ASN 33 -2.209 0.504 4.554
212 HA ASN 33 HA ASN 33 -1.238 3.115 4.933
213 1HB ASN 33 2HB ASN 33 0.688 2.686 6.473
214 2HB ASN 33 1HB ASN 33 -0.874 2.554 7.279
215 1HD2 ASN 33 1HD2 ASN 33 1.177 1.230 8.526
216 2HD2 ASN 33 2HD2 ASN 33 1.060 -0.446 8.281
217 H LYS 34 H LYS 34 1.428 2.918 4.659
218 HA LYS 34 HA LYS 34 1.759 1.804 2.036
219 1HB LYS 34 2HB LYS 34 4.049 2.524 2.205
220 2HB LYS 34 1HB LYS 34 3.065 3.737 3.021
221 1HG LYS 34 2HG LYS 34 3.524 2.527 5.191
222 2HG LYS 34 1HG LYS 34 4.681 1.526 4.312
223 1HD LYS 34 2HD LYS 34 4.785 4.553 4.449
224 2HD LYS 34 1HD LYS 34 5.763 3.470 5.441
225 1HE LYS 34 2HE LYS 34 6.763 2.498 3.410
226 2HE LYS 34 1HE LYS 34 5.776 3.563 2.409
227 1HZ LYS 34 1HZ LYS 34 7.256 5.170 2.669
228 2HZ LYS 34 2HZ LYS 34 8.250 4.110 3.552
229 3HZ LYS 34 3HZ LYS 34 7.117 5.088 4.359
230 H CYS 35 H CYS 35 1.747 0.323 5.071
231 HA CYS 35 HA CYS 35 3.737 -1.743 4.474
232 1HB CYS 35 2HB CYS 35 3.370 -1.187 6.800
233 2HB CYS 35 1HB CYS 35 1.635 -1.458 6.642
234 H ASN 36 H ASN 36 0.180 -1.696 4.850
235 HA ASN 36 HA ASN 36 -0.171 -4.323 3.751
236 1HB ASN 36 2HB ASN 36 -2.300 -2.207 3.788
237 2HB ASN 36 1HB ASN 36 -2.412 -3.913 4.148
238 1HD2 ASN 36 1HD2 ASN 36 -0.131 -4.030 5.974
239 2HD2 ASN 36 2HD2 ASN 36 -0.591 -3.206 7.386
240 H PHE 37 H PHE 37 0.567 -1.316 2.393
241 HA PHE 37 HA PHE 37 -0.832 -1.800 -0.161
242 1HB PHE 37 2HB PHE 37 -0.595 0.497 0.874
243 2HB PHE 37 1HB PHE 37 1.136 0.391 0.561
244 HD1 PHE 37 1HD PHE 37 1.603 1.882 -1.177
245 HD2 PHE 37 2HD PHE 37 -1.790 -0.732 -1.492
246 HE1 PHE 37 1HE PHE 37 1.230 2.650 -3.504
247 HE2 PHE 37 2HE PHE 37 -2.164 0.037 -3.823
248 HZ PHE 37 HZ PHE 37 -0.651 1.728 -4.820
249 H CYS 38 H CYS 38 2.496 -1.635 1.094
250 HA CYS 38 HA CYS 38 3.676 -2.333 -1.471
251 1HB CYS 38 2HB CYS 38 4.840 -2.423 1.326
252 2HB CYS 38 1HB CYS 38 5.766 -2.563 -0.166
253 H ASN 39 H ASN 39 2.562 -4.088 1.365
254 HA ASN 39 HA ASN 39 3.803 -6.601 0.567
255 1HB ASN 39 2HB ASN 39 2.290 -5.611 2.821
256 2HB ASN 39 1HB ASN 39 1.601 -7.136 2.258
257 1HD2 ASN 39 1HD2 ASN 39 3.311 -8.937 1.866
258 2HD2 ASN 39 2HD2 ASN 39 4.609 -9.013 2.957
259 H ALA 40 H ALA 40 0.537 -5.217 0.386
260 HA ALA 40 HA ALA 40 -0.715 -7.460 -0.851
261 1HB ALA 40 1HB ALA 40 -1.261 -4.532 -0.688
262 2HB ALA 40 2HB ALA 40 -2.322 -5.892 -0.317
263 3HB ALA 40 3HB ALA 40 -2.055 -5.413 -1.994
264 H VAL 41 H VAL 41 1.470 -5.022 -1.971
265 HA VAL 41 HA VAL 41 1.062 -5.548 -4.819
266 HB VAL 41 HB VAL 41 3.165 -4.039 -3.248
267 1HG1 VAL 41 1HG1 VAL 41 3.152 -4.957 -6.060
268 2HG1 VAL 41 2HG1 VAL 41 4.504 -4.457 -5.046
269 3HG1 VAL 41 3HG1 VAL 41 3.500 -3.242 -5.840
270 1HG2 VAL 41 1HG2 VAL 41 1.980 -2.144 -3.811
271 2HG2 VAL 41 2HG2 VAL 41 0.644 -3.296 -3.825
272 3HG2 VAL 41 3HG2 VAL 41 1.417 -2.822 -5.338
273 H VAL 42 H VAL 42 3.203 -6.687 -2.257
274 HA VAL 42 HA VAL 42 5.019 -8.072 -4.062
275 HB VAL 42 HB VAL 42 4.529 -8.545 -1.108
276 1HG1 VAL 42 1HG1 VAL 42 7.207 -8.940 -2.255
277 2HG1 VAL 42 2HG1 VAL 42 5.995 -10.047 -2.895
278 3HG1 VAL 42 3HG1 VAL 42 6.290 -9.972 -1.159
279 1HG2 VAL 42 1HG2 VAL 42 5.736 -6.682 -0.649
280 2HG2 VAL 42 2HG2 VAL 42 5.407 -6.206 -2.315
281 3HG2 VAL 42 3HG2 VAL 42 6.911 -7.036 -1.916
282 H GLU 43 H GLU 43 1.978 -8.851 -2.532
283 HA GLU 43 HA GLU 43 2.271 -11.730 -3.079
284 1HB GLU 43 2HB GLU 43 -0.016 -11.887 -2.147
285 2HB GLU 43 1HB GLU 43 1.057 -10.999 -1.064
286 1HG GLU 43 2HG GLU 43 0.201 -8.866 -1.924
287 2HG GLU 43 1HG GLU 43 -0.839 -9.726 -3.060
288 H SER 44 H SER 44 1.055 -8.905 -4.657
289 HA SER 44 HA SER 44 -0.669 -10.461 -6.483
290 1HB SER 44 2HB SER 44 -0.194 -7.590 -5.905
291 2HB SER 44 1HB SER 44 -0.588 -7.977 -7.577
292 HG SER 44 HG SER 44 -2.556 -7.963 -6.803
293 H ASN 45 H ASN 45 2.509 -10.335 -6.232
294 HA ASN 45 HA ASN 45 4.179 -10.901 -7.798
295 1HB ASN 45 2HB ASN 45 2.147 -11.868 -9.090
296 2HB ASN 45 1HB ASN 45 2.218 -10.374 -10.029
297 1HD2 ASN 45 1HD2 ASN 45 2.774 -12.095 -11.803
298 2HD2 ASN 45 2HD2 ASN 45 4.415 -12.482 -11.991
299 H GLY 46 H GLY 46 2.623 -8.012 -7.408
300 1HA GLY 46 2HA GLY 46 3.832 -5.915 -7.572
301 2HA GLY 46 1HA GLY 46 4.777 -6.599 -8.895
302 H THR 47 H THR 47 1.520 -7.404 -9.254
303 HA THR 47 HA THR 47 1.273 -5.474 -11.471
304 HB THR 47 HB THR 47 -1.083 -6.819 -11.486
305 HG1 THR 47 1HG THR 47 -0.929 -8.310 -10.019
306 1HG2 THR 47 1HG2 THR 47 -0.210 -7.618 -13.407
307 2HG2 THR 47 2HG2 THR 47 1.055 -8.499 -12.549
308 3HG2 THR 47 3HG2 THR 47 1.281 -6.796 -12.950
309 H LEU 48 H LEU 48 0.940 -4.991 -8.358
310 HA LEU 48 HA LEU 48 -1.719 -3.635 -8.524
311 1HB LEU 48 2HB LEU 48 -1.027 -5.331 -6.630
312 2HB LEU 48 1HB LEU 48 -0.158 -3.942 -5.977
313 HG LEU 48 HG LEU 48 -2.327 -2.629 -6.212
314 1HD1 LEU 48 1HD1 LEU 48 -4.317 -4.387 -6.066
315 2HD1 LEU 48 2HD1 LEU 48 -3.201 -5.381 -7.003
316 3HD1 LEU 48 3HD1 LEU 48 -3.725 -3.816 -7.627
317 1HD2 LEU 48 1HD2 LEU 48 -3.278 -4.462 -4.299
318 2HD2 LEU 48 2HD2 LEU 48 -2.271 -3.046 -3.996
319 3HD2 LEU 48 3HD2 LEU 48 -1.520 -4.620 -4.261
320 H THR 49 H THR 49 -1.852 -1.405 -8.025
321 HA THR 49 HA THR 49 0.727 0.007 -7.546
322 HB THR 49 HB THR 49 0.482 1.447 -9.366
323 HG1 THR 49 1HG THR 49 -1.599 1.452 -10.520
324 1HG2 THR 49 1HG2 THR 49 0.611 0.014 -11.142
325 2HG2 THR 49 2HG2 THR 49 -0.911 -0.780 -10.744
326 3HG2 THR 49 3HG2 THR 49 0.560 -1.205 -9.871
327 H LEU 50 H LEU 50 -0.536 2.572 -7.936
328 HA LEU 50 HA LEU 50 -2.429 2.655 -5.620
329 1HB LEU 50 2HB LEU 50 -0.358 3.528 -4.782
330 2HB LEU 50 1HB LEU 50 -0.067 4.443 -6.259
331 HG LEU 50 HG LEU 50 -2.610 5.245 -5.241
332 1HD1 LEU 50 1HD1 LEU 50 -1.952 6.115 -3.034
333 2HD1 LEU 50 2HD1 LEU 50 -0.372 5.349 -3.193
334 3HD1 LEU 50 3HD1 LEU 50 -1.825 4.358 -3.065
335 1HD2 LEU 50 1HD2 LEU 50 -0.802 6.487 -6.595
336 2HD2 LEU 50 2HD2 LEU 50 -0.009 6.776 -5.047
337 3HD2 LEU 50 3HD2 LEU 50 -1.628 7.411 -5.341
338 H SER 51 H SER 51 -4.352 3.516 -6.283
339 HA SER 51 HA SER 51 -4.492 4.974 -8.831
340 1HB SER 51 2HB SER 51 -7.030 5.015 -7.734
341 2HB SER 51 1HB SER 51 -6.420 3.792 -8.847
342 HG SER 51 HG SER 51 -6.672 3.736 -6.051
343 H HIS 52 H HIS 52 -4.593 5.679 -5.397
344 HA HIS 52 HA HIS 52 -4.184 8.450 -5.762
345 1HB HIS 52 2HB HIS 52 -6.367 9.391 -5.225
346 2HB HIS 52 1HB HIS 52 -6.505 8.392 -6.669
347 HD1 HIS 52 1HD HIS 52 -7.544 8.582 -3.088
348 HD2 HIS 52 2HD HIS 52 -7.934 5.934 -6.282
349 HE1 HIS 52 1HE HIS 52 -9.310 6.900 -2.410
350 H PHE 53 H PHE 53 -2.963 8.611 -3.991
351 HA PHE 53 HA PHE 53 -2.984 7.166 -1.630
352 1HB PHE 53 2HB PHE 53 -2.005 9.790 -2.469
353 2HB PHE 53 1HB PHE 53 -2.427 9.755 -0.758
354 HD1 PHE 53 1HD PHE 53 -0.731 7.551 -3.285
355 HD2 PHE 53 2HD PHE 53 -0.765 9.087 0.725
356 HE1 PHE 53 1HE PHE 53 1.365 6.318 -2.797
357 HE2 PHE 53 2HE PHE 53 1.331 7.857 1.215
358 HZ PHE 53 HZ PHE 53 2.398 6.473 -0.545
359 H GLY 54 H GLY 54 -4.920 6.688 -0.604
360 1HA GLY 54 2HA GLY 54 -6.150 8.176 1.281
361 2HA GLY 54 1HA GLY 54 -6.915 8.816 -0.174
362 H LYS 55 H LYS 55 -8.343 7.409 1.866
363 HA LYS 55 HA LYS 55 -8.731 4.644 1.081
364 1HB LYS 55 2HB LYS 55 -10.516 4.622 2.677
365 2HB LYS 55 1HB LYS 55 -9.291 5.693 3.357
366 1HG LYS 55 2HG LYS 55 -10.507 7.651 2.483
367 2HG LYS 55 1HG LYS 55 -11.731 6.584 1.791
368 1HD LYS 55 2HD LYS 55 -11.231 6.055 4.632
369 2HD LYS 55 1HD LYS 55 -11.822 7.689 4.330
370 1HE LYS 55 2HE LYS 55 -13.732 6.804 3.088
371 2HE LYS 55 1HE LYS 55 -13.123 5.161 3.277
372 1HZ LYS 55 1HZ LYS 55 -14.325 5.105 5.131
373 2HZ LYS 55 2HZ LYS 55 -14.585 6.785 5.127
374 3HZ LYS 55 3HZ LYS 55 -13.171 6.143 5.816
375 H CYS 56 H CYS 56 -10.770 3.823 0.123
376 HA CYS 56 HA CYS 56 -11.629 5.625 -2.063
377 1HB CYS 56 2HB CYS 56 -11.835 2.642 -1.619
378 2HB CYS 56 1HB CYS 56 -12.715 3.452 -2.915
Start of MODEL 6
1 1H ALA 3 1HT ALA 3 6.162 11.245 -8.932
2 2H ALA 3 2HT ALA 3 7.812 11.132 -9.315
3 3H ALA 3 3HT ALA 3 7.318 11.238 -7.693
4 HA ALA 3 HA ALA 3 6.978 8.965 -9.558
5 1HB ALA 3 1HB ALA 3 7.948 8.666 -6.770
6 2HB ALA 3 2HB ALA 3 9.019 9.541 -7.866
7 3HB ALA 3 3HB ALA 3 8.518 7.894 -8.249
8 H VAL 4 H VAL 4 5.082 7.879 -9.357
9 HA VAL 4 HA VAL 4 3.418 8.410 -6.942
10 HB VAL 4 HB VAL 4 2.439 8.811 -9.230
11 1HG1 VAL 4 1HG1 VAL 4 3.652 6.383 -9.815
12 2HG1 VAL 4 2HG1 VAL 4 2.468 7.210 -10.828
13 3HG1 VAL 4 3HG1 VAL 4 1.941 5.964 -9.695
14 1HG2 VAL 4 1HG2 VAL 4 0.674 8.528 -7.802
15 2HG2 VAL 4 2HG2 VAL 4 1.337 7.043 -7.120
16 3HG2 VAL 4 3HG2 VAL 4 0.482 7.000 -8.662
17 H SER 5 H SER 5 5.659 6.627 -6.742
18 HA SER 5 HA SER 5 4.240 4.240 -5.792
19 1HB SER 5 2HB SER 5 5.034 2.699 -7.285
20 2HB SER 5 1HB SER 5 5.099 4.092 -8.362
21 HG SER 5 HG SER 5 7.249 4.297 -7.959
22 H VAL 6 H VAL 6 5.468 3.129 -4.202
23 HA VAL 6 HA VAL 6 7.886 4.615 -3.308
24 HB VAL 6 HB VAL 6 5.817 4.095 -1.800
25 1HG1 VAL 6 1HG1 VAL 6 5.669 1.704 -2.311
26 2HG1 VAL 6 2HG1 VAL 6 6.023 1.937 -0.599
27 3HG1 VAL 6 3HG1 VAL 6 7.308 1.460 -1.709
28 1HG2 VAL 6 1HG2 VAL 6 8.311 3.188 -0.461
29 2HG2 VAL 6 2HG2 VAL 6 7.190 4.468 0.001
30 3HG2 VAL 6 3HG2 VAL 6 8.378 4.753 -1.269
31 H ASP 7 H ASP 7 9.542 3.105 -2.173
32 HA ASP 7 HA ASP 7 10.199 0.952 -4.103
33 1HB ASP 7 2HB ASP 7 11.914 2.684 -3.480
34 2HB ASP 7 1HB ASP 7 11.879 2.059 -1.832
35 H CYS 8 H CYS 8 8.566 -0.529 -3.286
36 HA CYS 8 HA CYS 8 8.675 -1.422 -0.498
37 1HB CYS 8 2HB CYS 8 7.267 -2.659 -2.881
38 2HB CYS 8 1HB CYS 8 6.977 -3.046 -1.186
39 H SER 9 H SER 9 11.233 -1.733 -1.808
40 HA SER 9 HA SER 9 11.478 -4.555 -2.559
41 1HB SER 9 2HB SER 9 13.073 -3.330 -3.704
42 2HB SER 9 1HB SER 9 13.318 -2.205 -2.371
43 HG SER 9 HG SER 9 15.076 -3.662 -2.640
44 H GLU 10 H GLU 10 11.191 -2.927 0.347
45 HA GLU 10 HA GLU 10 12.978 -4.783 1.829
46 1HB GLU 10 2HB GLU 10 11.252 -2.676 3.109
47 2HB GLU 10 1HB GLU 10 12.808 -3.312 3.647
48 1HG GLU 10 2HG GLU 10 13.873 -2.248 1.640
49 2HG GLU 10 1HG GLU 10 12.317 -1.506 1.261
50 H TYR 11 H TYR 11 10.167 -5.224 0.489
51 HA TYR 11 HA TYR 11 8.790 -6.342 2.891
52 1HB TYR 11 2HB TYR 11 7.855 -5.451 0.165
53 2HB TYR 11 1HB TYR 11 6.865 -6.541 1.135
54 HD1 TYR 11 1HD TYR 11 5.467 -5.674 2.824
55 HD2 TYR 11 2HD TYR 11 8.713 -3.291 1.325
56 HE1 TYR 11 1HE TYR 11 4.676 -3.745 4.173
57 HE2 TYR 11 2HE TYR 11 7.921 -1.365 2.669
58 HH TYR 11 HH TYR 11 6.045 -1.517 5.171
59 HA PRO 12 HA PRO 12 6.734 -7.620 2.571
60 1HB PRO 12 2HB PRO 12 6.231 -9.969 3.900
61 2HB PRO 12 1HB PRO 12 5.673 -9.637 2.252
62 1HG PRO 12 2HG PRO 12 7.913 -11.390 3.161
63 2HG PRO 12 1HG PRO 12 6.906 -11.519 1.710
64 1HD PRO 12 2HD PRO 12 9.533 -10.498 1.790
65 2HD PRO 12 1HD PRO 12 8.377 -10.279 0.459
66 H LYS 13 H LYS 13 6.291 -7.337 4.900
67 HA LYS 13 HA LYS 13 8.795 -7.456 6.523
68 1HB LYS 13 2HB LYS 13 6.408 -5.779 7.254
69 2HB LYS 13 1HB LYS 13 8.109 -5.509 7.629
70 1HG LYS 13 2HG LYS 13 7.130 -5.451 4.777
71 2HG LYS 13 1HG LYS 13 7.018 -4.024 5.803
72 1HD LYS 13 2HD LYS 13 9.621 -5.510 5.619
73 2HD LYS 13 1HD LYS 13 9.164 -4.390 4.337
74 1HE LYS 13 2HE LYS 13 9.306 -2.540 5.706
75 2HE LYS 13 1HE LYS 13 8.882 -3.449 7.157
76 1HZ LYS 13 1HZ LYS 13 11.290 -2.668 6.862
77 2HZ LYS 13 2HZ LYS 13 11.428 -3.950 5.755
78 3HZ LYS 13 3HZ LYS 13 11.021 -4.263 7.374
79 HA PRO 14 HA PRO 14 6.811 -10.155 9.367
80 1HB PRO 14 2HB PRO 14 7.944 -9.328 11.728
81 2HB PRO 14 1HB PRO 14 8.816 -10.256 10.495
82 1HG PRO 14 2HG PRO 14 9.052 -7.367 11.182
83 2HG PRO 14 1HG PRO 14 10.247 -8.446 10.443
84 1HD PRO 14 2HD PRO 14 8.657 -6.530 9.082
85 2HD PRO 14 1HD PRO 14 9.635 -7.808 8.330
86 H ALA 15 H ALA 15 5.741 -7.116 9.070
87 HA ALA 15 HA ALA 15 3.353 -7.398 10.482
88 1HB ALA 15 1HB ALA 15 4.354 -7.466 12.602
89 2HB ALA 15 2HB ALA 15 3.933 -5.762 12.437
90 3HB ALA 15 3HB ALA 15 5.592 -6.291 12.160
91 H CYS 16 H CYS 16 2.665 -4.903 11.288
92 HA CYS 16 HA CYS 16 3.577 -3.069 9.117
93 1HB CYS 16 2HB CYS 16 0.741 -3.811 9.858
94 2HB CYS 16 1HB CYS 16 1.119 -2.315 9.005
95 H THR 17 H THR 17 3.228 -0.791 9.627
96 HA THR 17 HA THR 17 3.617 -0.238 12.471
97 HB THR 17 HB THR 17 3.331 2.219 11.316
98 HG1 THR 17 1HG THR 17 3.936 2.122 9.238
99 1HG2 THR 17 1HG2 THR 17 5.683 2.331 11.384
100 2HG2 THR 17 2HG2 THR 17 5.866 0.632 10.945
101 3HG2 THR 17 3HG2 THR 17 5.295 1.071 12.554
102 H MET 18 H MET 18 2.265 1.550 13.514
103 HA MET 18 HA MET 18 -0.595 0.942 13.012
104 1HB MET 18 2HB MET 18 0.679 2.516 15.270
105 2HB MET 18 1HB MET 18 -0.995 1.961 15.193
106 1HG MET 18 2HG MET 18 -0.334 0.052 16.184
107 2HG MET 18 1HG MET 18 0.574 -0.327 14.721
108 1HE MET 18 1HE MET 18 1.748 -1.638 17.252
109 2HE MET 18 2HE MET 18 0.670 -0.520 18.084
110 3HE MET 18 3HE MET 18 2.384 -0.546 18.490
111 H GLU 19 H GLU 19 1.291 2.868 11.466
112 HA GLU 19 HA GLU 19 0.230 5.521 11.937
113 1HB GLU 19 2HB GLU 19 2.351 5.386 10.841
114 2HB GLU 19 1HB GLU 19 1.730 4.266 9.627
115 1HG GLU 19 2HG GLU 19 0.674 5.925 8.430
116 2HG GLU 19 1HG GLU 19 0.378 6.914 9.861
117 H TYR 20 H TYR 20 -1.498 6.545 10.905
118 HA TYR 20 HA TYR 20 -3.400 4.742 9.541
119 1HB TYR 20 2HB TYR 20 -3.858 6.657 11.355
120 2HB TYR 20 1HB TYR 20 -3.989 7.636 9.895
121 HD1 TYR 20 1HD TYR 20 -5.227 6.112 7.898
122 HD2 TYR 20 2HD TYR 20 -5.937 5.942 12.132
123 HE1 TYR 20 1HE TYR 20 -7.495 5.202 7.480
124 HE2 TYR 20 2HE TYR 20 -8.207 5.033 11.714
125 HH TYR 20 HH TYR 20 -9.274 4.187 8.450
126 H ARG 21 H ARG 21 -3.205 4.535 7.392
127 HA ARG 21 HA ARG 21 -2.879 6.965 5.736
128 1HB ARG 21 2HB ARG 21 -0.858 4.833 6.059
129 2HB ARG 21 1HB ARG 21 -1.233 5.253 4.386
130 1HG ARG 21 2HG ARG 21 -0.832 7.501 6.305
131 2HG ARG 21 1HG ARG 21 0.598 6.604 5.798
132 1HD ARG 21 2HD ARG 21 -1.346 7.439 3.688
133 2HD ARG 21 1HD ARG 21 -0.300 8.676 4.383
134 HE ARG 21 HE ARG 21 0.574 6.926 2.415
135 1HH1 ARG 21 1HH1 ARG 21 2.260 8.945 4.035
136 2HH1 ARG 21 2HH1 ARG 21 3.525 7.908 4.604
137 1HH2 ARG 21 1HH2 ARG 21 1.820 4.979 3.877
138 2HH2 ARG 21 2HH2 ARG 21 3.274 5.666 4.520
139 HA PRO 22 HA PRO 22 -5.986 4.228 3.898
140 1HB PRO 22 2HB PRO 22 -7.438 6.299 2.815
141 2HB PRO 22 1HB PRO 22 -7.641 5.725 4.480
142 1HG PRO 22 2HG PRO 22 -6.293 8.200 3.499
143 2HG PRO 22 1HG PRO 22 -7.075 7.889 5.058
144 1HD PRO 22 2HD PRO 22 -4.290 7.882 4.585
145 2HD PRO 22 1HD PRO 22 -5.102 7.226 6.023
146 H LEU 23 H LEU 23 -4.828 3.312 2.186
147 HA LEU 23 HA LEU 23 -4.196 5.101 -0.128
148 1HB LEU 23 2HB LEU 23 -2.945 2.483 0.756
149 2HB LEU 23 1HB LEU 23 -2.546 3.308 -0.751
150 HG LEU 23 HG LEU 23 -2.244 4.462 2.039
151 1HD1 LEU 23 1HD1 LEU 23 -0.590 2.680 1.329
152 2HD1 LEU 23 2HD1 LEU 23 0.128 4.251 1.685
153 3HD1 LEU 23 3HD1 LEU 23 -0.109 3.747 0.012
154 1HD2 LEU 23 1HD2 LEU 23 -2.072 5.602 -0.714
155 2HD2 LEU 23 2HD2 LEU 23 -0.860 6.130 0.452
156 3HD2 LEU 23 3HD2 LEU 23 -2.573 6.373 0.791
157 H CYS 24 H CYS 24 -5.565 4.837 -1.825
158 HA CYS 24 HA CYS 24 -7.226 2.398 -1.978
159 1HB CYS 24 2HB CYS 24 -8.076 4.787 -2.406
160 2HB CYS 24 1HB CYS 24 -7.207 4.696 -3.938
161 H GLY 25 H GLY 25 -5.784 0.757 -2.681
162 1HA GLY 25 2HA GLY 25 -3.788 1.022 -4.661
163 2HA GLY 25 1HA GLY 25 -4.631 -0.486 -4.311
164 H SER 26 H SER 26 -3.810 0.557 -6.946
165 HA SER 26 HA SER 26 -5.873 1.721 -8.454
166 1HB SER 26 2HB SER 26 -3.458 0.378 -9.000
167 2HB SER 26 1HB SER 26 -4.690 -0.449 -9.946
168 HG SER 26 HG SER 26 -5.108 1.371 -11.023
169 H ASP 27 H ASP 27 -5.908 -1.351 -6.894
170 HA ASP 27 HA ASP 27 -7.872 -2.563 -8.681
171 1HB ASP 27 2HB ASP 27 -7.883 -4.395 -7.151
172 2HB ASP 27 1HB ASP 27 -6.215 -3.824 -7.204
173 H ASN 28 H ASN 28 -8.327 0.093 -7.058
174 HA ASN 28 HA ASN 28 -10.202 1.151 -6.146
175 1HB ASN 28 2HB ASN 28 -11.188 -0.669 -7.981
176 2HB ASN 28 1HB ASN 28 -12.050 -1.103 -6.504
177 1HD2 ASN 28 1HD2 ASN 28 -11.993 1.651 -5.396
178 2HD2 ASN 28 2HD2 ASN 28 -13.091 2.556 -6.321
179 H LYS 29 H LYS 29 -8.480 -0.324 -4.407
180 HA LYS 29 HA LYS 29 -10.488 -1.182 -2.367
181 1HB LYS 29 2HB LYS 29 -9.315 -3.158 -3.281
182 2HB LYS 29 1HB LYS 29 -7.769 -2.434 -2.833
183 1HG LYS 29 2HG LYS 29 -7.983 -3.137 -0.706
184 2HG LYS 29 1HG LYS 29 -9.583 -2.405 -0.576
185 1HD LYS 29 2HD LYS 29 -10.672 -4.357 -1.090
186 2HD LYS 29 1HD LYS 29 -9.397 -4.902 -2.181
187 1HE LYS 29 2HE LYS 29 -7.982 -5.521 -0.310
188 2HE LYS 29 1HE LYS 29 -9.126 -4.825 0.838
189 1HZ LYS 29 1HZ LYS 29 -9.403 -7.203 0.722
190 2HZ LYS 29 2HZ LYS 29 -9.628 -7.135 -0.961
191 3HZ LYS 29 3HZ LYS 29 -10.777 -6.443 0.080
192 H THR 30 H THR 30 -10.140 -0.430 -0.289
193 HA THR 30 HA THR 30 -8.159 1.729 -0.021
194 HB THR 30 HB THR 30 -10.222 0.654 1.929
195 HG1 THR 30 1HG THR 30 -10.885 1.755 -0.082
196 1HG2 THR 30 1HG2 THR 30 -8.003 2.052 2.608
197 2HG2 THR 30 2HG2 THR 30 -9.546 2.221 3.446
198 3HG2 THR 30 3HG2 THR 30 -9.089 3.381 2.197
199 H TYR 31 H TYR 31 -6.383 1.669 1.401
200 HA TYR 31 HA TYR 31 -5.741 -1.007 2.538
201 1HB TYR 31 2HB TYR 31 -3.901 1.141 1.479
202 2HB TYR 31 1HB TYR 31 -3.394 -0.392 2.163
203 HD1 TYR 31 1HD TYR 31 -5.864 -1.928 0.958
204 HD2 TYR 31 2HD TYR 31 -2.879 0.675 -0.702
205 HE1 TYR 31 1HE TYR 31 -6.156 -3.003 -1.254
206 HE2 TYR 31 2HE TYR 31 -3.171 -0.406 -2.914
207 HH TYR 31 HH TYR 31 -4.020 -2.294 -3.939
208 H GLY 32 H GLY 32 -4.347 -0.920 4.461
209 1HA GLY 32 2HA GLY 32 -5.356 1.062 6.352
210 2HA GLY 32 1HA GLY 32 -4.260 -0.267 6.732
211 H ASN 33 H ASN 33 -2.454 0.574 4.463
212 HA ASN 33 HA ASN 33 -1.517 3.209 4.743
213 1HB ASN 33 2HB ASN 33 0.366 2.927 6.340
214 2HB ASN 33 1HB ASN 33 -1.198 2.753 7.125
215 1HD2 ASN 33 1HD2 ASN 33 0.513 1.527 8.655
216 2HD2 ASN 33 2HD2 ASN 33 0.633 -0.144 8.383
217 H LYS 34 H LYS 34 1.184 2.985 4.666
218 HA LYS 34 HA LYS 34 1.678 1.912 2.061
219 1HB LYS 34 2HB LYS 34 2.971 3.790 2.848
220 2HB LYS 34 1HB LYS 34 3.548 2.874 4.239
221 1HG LYS 34 2HG LYS 34 4.843 1.410 2.848
222 2HG LYS 34 1HG LYS 34 4.091 2.037 1.382
223 1HD LYS 34 2HD LYS 34 6.316 3.024 1.654
224 2HD LYS 34 1HD LYS 34 5.082 4.268 1.855
225 1HE LYS 34 2HE LYS 34 6.797 4.452 3.615
226 2HE LYS 34 1HE LYS 34 5.234 4.021 4.309
227 1HZ LYS 34 1HZ LYS 34 5.905 1.727 4.384
228 2HZ LYS 34 2HZ LYS 34 7.064 2.673 5.190
229 3HZ LYS 34 3HZ LYS 34 7.379 2.084 3.627
230 H CYS 35 H CYS 35 1.810 0.449 5.213
231 HA CYS 35 HA CYS 35 3.727 -1.617 4.494
232 1HB CYS 35 2HB CYS 35 3.324 -1.061 6.856
233 2HB CYS 35 1HB CYS 35 1.639 -1.562 6.699
234 H ASN 36 H ASN 36 0.183 -1.387 4.599
235 HA ASN 36 HA ASN 36 -0.219 -4.110 3.667
236 1HB ASN 36 2HB ASN 36 -1.802 -2.092 4.776
237 2HB ASN 36 1HB ASN 36 -2.397 -2.251 3.126
238 1HD2 ASN 36 1HD2 ASN 36 -2.284 -3.772 6.247
239 2HD2 ASN 36 2HD2 ASN 36 -3.141 -5.176 5.828
240 H PHE 37 H PHE 37 0.558 -1.102 2.226
241 HA PHE 37 HA PHE 37 -0.517 -1.723 -0.427
242 1HB PHE 37 2HB PHE 37 -0.252 0.621 0.450
243 2HB PHE 37 1HB PHE 37 1.496 0.400 0.373
244 HD1 PHE 37 1HD PHE 37 2.586 1.120 -1.556
245 HD2 PHE 37 2HD PHE 37 -1.513 -0.125 -1.812
246 HE1 PHE 37 1HE PHE 37 2.558 1.701 -3.966
247 HE2 PHE 37 2HE PHE 37 -1.546 0.460 -4.223
248 HZ PHE 37 HZ PHE 37 0.495 1.370 -5.299
249 H CYS 38 H CYS 38 2.675 -1.752 1.153
250 HA CYS 38 HA CYS 38 4.081 -2.549 -1.259
251 1HB CYS 38 2HB CYS 38 4.813 -2.489 1.667
252 2HB CYS 38 1HB CYS 38 5.907 -3.154 0.459
253 H ASN 39 H ASN 39 2.641 -4.248 1.481
254 HA ASN 39 HA ASN 39 3.710 -6.834 0.673
255 1HB ASN 39 2HB ASN 39 2.096 -5.773 2.858
256 2HB ASN 39 1HB ASN 39 1.448 -7.297 2.257
257 1HD2 ASN 39 1HD2 ASN 39 3.223 -6.432 4.740
258 2HD2 ASN 39 2HD2 ASN 39 4.431 -7.625 4.753
259 H ALA 40 H ALA 40 0.586 -5.178 0.366
260 HA ALA 40 HA ALA 40 -0.760 -7.290 -1.018
261 1HB ALA 40 1HB ALA 40 -1.133 -4.292 -1.346
262 2HB ALA 40 2HB ALA 40 -1.921 -5.275 -0.112
263 3HB ALA 40 3HB ALA 40 -2.289 -5.538 -1.817
264 H VAL 41 H VAL 41 1.739 -5.097 -1.896
265 HA VAL 41 HA VAL 41 1.352 -5.394 -4.790
266 HB VAL 41 HB VAL 41 3.532 -4.151 -3.096
267 1HG1 VAL 41 1HG1 VAL 41 4.343 -3.261 -5.342
268 2HG1 VAL 41 2HG1 VAL 41 3.316 -4.480 -6.098
269 3HG1 VAL 41 3HG1 VAL 41 4.647 -4.973 -5.050
270 1HG2 VAL 41 1HG2 VAL 41 2.532 -2.124 -3.588
271 2HG2 VAL 41 2HG2 VAL 41 1.103 -3.158 -3.614
272 3HG2 VAL 41 3HG2 VAL 41 1.888 -2.697 -5.126
273 H VAL 42 H VAL 42 3.328 -6.817 -2.225
274 HA VAL 42 HA VAL 42 5.047 -8.271 -4.076
275 HB VAL 42 HB VAL 42 4.498 -8.811 -1.142
276 1HG1 VAL 42 1HG1 VAL 42 7.139 -9.474 -1.978
277 2HG1 VAL 42 2HG1 VAL 42 6.027 -10.189 -3.145
278 3HG1 VAL 42 3HG1 VAL 42 5.872 -10.572 -1.430
279 1HG2 VAL 42 1HG2 VAL 42 7.022 -7.618 -1.520
280 2HG2 VAL 42 2HG2 VAL 42 5.606 -6.877 -0.776
281 3HG2 VAL 42 3HG2 VAL 42 5.905 -6.669 -2.502
282 H GLU 43 H GLU 43 1.940 -8.839 -2.585
283 HA GLU 43 HA GLU 43 1.952 -11.706 -3.199
284 1HB GLU 43 2HB GLU 43 -0.324 -9.882 -2.353
285 2HB GLU 43 1HB GLU 43 -0.382 -11.644 -2.405
286 1HG GLU 43 2HG GLU 43 1.875 -11.207 -0.902
287 2HG GLU 43 1HG GLU 43 0.847 -9.866 -0.402
288 H SER 44 H SER 44 0.509 -8.745 -4.535
289 HA SER 44 HA SER 44 -0.931 -10.146 -6.630
290 1HB SER 44 2HB SER 44 -0.838 -7.509 -5.630
291 2HB SER 44 1HB SER 44 -0.312 -7.400 -7.308
292 HG SER 44 HG SER 44 -2.722 -8.424 -6.243
293 H ASN 45 H ASN 45 2.340 -9.452 -6.155
294 HA ASN 45 HA ASN 45 4.200 -9.721 -7.541
295 1HB ASN 45 2HB ASN 45 2.016 -11.184 -8.917
296 2HB ASN 45 1HB ASN 45 3.428 -10.781 -9.889
297 1HD2 ASN 45 1HD2 ASN 45 3.826 -13.210 -9.873
298 2HD2 ASN 45 2HD2 ASN 45 4.616 -13.887 -8.532
299 H GLY 46 H GLY 46 2.583 -7.236 -7.634
300 1HA GLY 46 2HA GLY 46 3.206 -5.241 -8.854
301 2HA GLY 46 1HA GLY 46 3.633 -6.254 -10.233
302 H THR 47 H THR 47 0.831 -7.571 -9.277
303 HA THR 47 HA THR 47 -0.677 -6.192 -11.375
304 HB THR 47 HB THR 47 -2.481 -7.823 -10.739
305 HG1 THR 47 1HG THR 47 -2.044 -9.297 -9.157
306 1HG2 THR 47 1HG2 THR 47 -0.949 -8.488 -12.461
307 2HG2 THR 47 2HG2 THR 47 -1.111 -9.865 -11.373
308 3HG2 THR 47 3HG2 THR 47 0.318 -8.836 -11.285
309 H LEU 48 H LEU 48 -0.073 -5.512 -8.172
310 HA LEU 48 HA LEU 48 -2.689 -4.086 -7.890
311 1HB LEU 48 2HB LEU 48 -2.397 -5.848 -6.186
312 2HB LEU 48 1HB LEU 48 -0.855 -5.138 -5.712
313 HG LEU 48 HG LEU 48 -2.982 -3.151 -5.734
314 1HD1 LEU 48 1HD1 LEU 48 -3.619 -4.532 -3.380
315 2HD1 LEU 48 2HD1 LEU 48 -3.602 -5.772 -4.634
316 3HD1 LEU 48 3HD1 LEU 48 -4.646 -4.361 -4.803
317 1HD2 LEU 48 1HD2 LEU 48 -0.588 -3.384 -4.568
318 2HD2 LEU 48 2HD2 LEU 48 -1.561 -4.070 -3.269
319 3HD2 LEU 48 3HD2 LEU 48 -1.876 -2.430 -3.834
320 H THR 49 H THR 49 -2.083 -2.073 -8.704
321 HA THR 49 HA THR 49 0.421 -0.853 -7.668
322 HB THR 49 HB THR 49 0.453 0.467 -9.543
323 HG1 THR 49 1HG THR 49 -1.745 0.855 -10.600
324 1HG2 THR 49 1HG2 THR 49 -0.017 -0.843 -11.402
325 2HG2 THR 49 2HG2 THR 49 -1.553 -1.411 -10.742
326 3HG2 THR 49 3HG2 THR 49 -0.033 -2.060 -10.124
327 H LEU 50 H LEU 50 -0.594 1.830 -8.090
328 HA LEU 50 HA LEU 50 -2.257 2.091 -5.624
329 1HB LEU 50 2HB LEU 50 -0.106 3.125 -5.308
330 2HB LEU 50 1HB LEU 50 -0.192 3.920 -6.879
331 HG LEU 50 HG LEU 50 -2.504 4.590 -5.265
332 1HD1 LEU 50 1HD1 LEU 50 -1.439 4.583 -3.245
333 2HD1 LEU 50 2HD1 LEU 50 -0.789 6.116 -3.827
334 3HD1 LEU 50 3HD1 LEU 50 0.165 4.639 -3.976
335 1HD2 LEU 50 1HD2 LEU 50 -0.904 5.711 -7.243
336 2HD2 LEU 50 2HD2 LEU 50 -0.533 6.682 -5.819
337 3HD2 LEU 50 3HD2 LEU 50 -2.199 6.541 -6.379
338 H SER 51 H SER 51 -4.001 3.607 -5.693
339 HA SER 51 HA SER 51 -4.843 4.353 -8.461
340 1HB SER 51 2HB SER 51 -6.222 2.711 -6.891
341 2HB SER 51 1HB SER 51 -6.784 4.221 -6.182
342 HG SER 51 HG SER 51 -8.064 4.331 -7.836
343 H HIS 52 H HIS 52 -4.657 5.428 -5.085
344 HA HIS 52 HA HIS 52 -4.035 8.094 -5.716
345 1HB HIS 52 2HB HIS 52 -6.015 9.284 -5.785
346 2HB HIS 52 1HB HIS 52 -6.575 7.780 -6.506
347 HD1 HIS 52 1HD HIS 52 -8.049 6.211 -5.014
348 HD2 HIS 52 2HD HIS 52 -7.034 9.823 -3.197
349 HE1 HIS 52 1HE HIS 52 -9.514 6.423 -2.956
350 H PHE 53 H PHE 53 -2.832 8.390 -3.938
351 HA PHE 53 HA PHE 53 -2.901 7.114 -1.502
352 1HB PHE 53 2HB PHE 53 -2.334 10.066 -1.906
353 2HB PHE 53 1HB PHE 53 -1.783 9.078 -0.558
354 HD1 PHE 53 1HD PHE 53 -1.198 10.041 -4.001
355 HD2 PHE 53 2HD PHE 53 -0.215 7.150 -0.981
356 HE1 PHE 53 1HE PHE 53 0.773 9.330 -5.324
357 HE2 PHE 53 2HE PHE 53 1.758 6.438 -2.305
358 HZ PHE 53 HZ PHE 53 2.253 7.530 -4.477
359 H GLY 54 H GLY 54 -5.024 6.711 -0.746
360 1HA GLY 54 2HA GLY 54 -6.213 8.152 1.195
361 2HA GLY 54 1HA GLY 54 -6.816 8.998 -0.233
362 H LYS 55 H LYS 55 -8.439 7.477 1.644
363 HA LYS 55 HA LYS 55 -9.059 4.879 0.579
364 1HB LYS 55 2HB LYS 55 -10.990 4.938 1.993
365 2HB LYS 55 1HB LYS 55 -9.722 5.799 2.865
366 1HG LYS 55 2HG LYS 55 -10.631 7.949 1.940
367 2HG LYS 55 1HG LYS 55 -11.972 7.033 1.253
368 1HD LYS 55 2HD LYS 55 -11.423 6.560 4.131
369 2HD LYS 55 1HD LYS 55 -12.061 8.151 3.720
370 1HE LYS 55 2HE LYS 55 -13.984 7.182 2.632
371 2HE LYS 55 1HE LYS 55 -13.308 5.559 2.770
372 1HZ LYS 55 1HZ LYS 55 -14.649 7.180 4.759
373 2HZ LYS 55 2HZ LYS 55 -13.264 6.366 5.315
374 3HZ LYS 55 3HZ LYS 55 -14.545 5.493 4.622
375 H CYS 56 H CYS 56 -10.911 4.288 -0.727
376 HA CYS 56 HA CYS 56 -11.570 6.379 -2.723
377 1HB CYS 56 2HB CYS 56 -11.609 3.388 -2.668
378 2HB CYS 56 1HB CYS 56 -12.721 4.213 -3.764
Start of MODEL 7
1 1H ALA 3 1HT ALA 3 8.080 7.797 -6.812
2 2H ALA 3 2HT ALA 3 7.914 9.020 -7.977
3 3H ALA 3 3HT ALA 3 9.444 8.359 -7.646
4 HA ALA 3 HA ALA 3 8.476 7.525 -9.740
5 1HB ALA 3 1HB ALA 3 8.798 5.084 -9.125
6 2HB ALA 3 2HB ALA 3 8.947 5.603 -7.446
7 3HB ALA 3 3HB ALA 3 10.120 6.149 -8.645
8 H VAL 4 H VAL 4 6.990 5.538 -7.195
9 HA VAL 4 HA VAL 4 4.403 5.794 -8.675
10 HB VAL 4 HB VAL 4 5.544 3.504 -8.541
11 1HG1 VAL 4 1HG1 VAL 4 5.540 2.334 -6.473
12 2HG1 VAL 4 2HG1 VAL 4 4.505 3.535 -5.703
13 3HG1 VAL 4 3HG1 VAL 4 6.181 3.928 -6.083
14 1HG2 VAL 4 1HG2 VAL 4 3.119 2.769 -7.291
15 2HG2 VAL 4 2HG2 VAL 4 3.424 2.909 -9.022
16 3HG2 VAL 4 3HG2 VAL 4 2.794 4.289 -8.123
17 H SER 5 H SER 5 5.324 7.656 -6.647
18 HA SER 5 HA SER 5 4.158 8.849 -4.965
19 1HB SER 5 2HB SER 5 2.171 7.285 -5.802
20 2HB SER 5 1HB SER 5 2.470 6.484 -4.263
21 HG SER 5 HG SER 5 2.423 8.767 -3.425
22 H VAL 6 H VAL 6 4.433 5.365 -4.116
23 HA VAL 6 HA VAL 6 6.045 6.232 -1.751
24 HB VAL 6 HB VAL 6 5.090 3.868 -0.892
25 1HG1 VAL 6 1HG1 VAL 6 4.725 5.576 0.588
26 2HG1 VAL 6 2HG1 VAL 6 3.078 5.413 -0.020
27 3HG1 VAL 6 3HG1 VAL 6 4.133 6.672 -0.659
28 1HG2 VAL 6 1HG2 VAL 6 2.605 3.884 -1.503
29 2HG2 VAL 6 2HG2 VAL 6 3.706 3.327 -2.762
30 3HG2 VAL 6 3HG2 VAL 6 3.040 4.956 -2.833
31 H ASP 7 H ASP 7 7.584 4.520 -1.010
32 HA ASP 7 HA ASP 7 8.467 2.806 -3.297
33 1HB ASP 7 2HB ASP 7 9.856 4.942 -2.399
34 2HB ASP 7 1HB ASP 7 10.476 3.707 -1.301
35 H CYS 8 H CYS 8 8.854 0.679 -2.801
36 HA CYS 8 HA CYS 8 8.209 -0.231 -0.071
37 1HB CYS 8 2HB CYS 8 8.974 -1.861 -2.514
38 2HB CYS 8 1HB CYS 8 8.225 -2.465 -1.035
39 H SER 9 H SER 9 10.331 1.096 0.413
40 HA SER 9 HA SER 9 12.911 0.565 -0.126
41 1HB SER 9 2HB SER 9 11.491 1.211 2.349
42 2HB SER 9 1HB SER 9 13.027 0.396 2.632
43 HG SER 9 HG SER 9 12.818 2.865 2.216
44 H GLU 10 H GLU 10 11.196 -1.519 2.259
45 HA GLU 10 HA GLU 10 12.802 -3.800 1.235
46 1HB GLU 10 2HB GLU 10 13.326 -4.474 3.592
47 2HB GLU 10 1HB GLU 10 14.114 -2.973 3.105
48 1HG GLU 10 2HG GLU 10 12.873 -1.701 4.540
49 2HG GLU 10 1HG GLU 10 11.417 -2.667 4.296
50 H TYR 11 H TYR 11 10.583 -4.277 0.387
51 HA TYR 11 HA TYR 11 8.804 -5.387 2.518
52 1HB TYR 11 2HB TYR 11 8.262 -4.200 -0.186
53 2HB TYR 11 1HB TYR 11 7.136 -5.383 0.479
54 HD1 TYR 11 1HD TYR 11 5.623 -4.800 2.230
55 HD2 TYR 11 2HD TYR 11 8.816 -2.134 1.161
56 HE1 TYR 11 1HE TYR 11 4.628 -3.033 3.665
57 HE2 TYR 11 2HE TYR 11 7.824 -0.369 2.592
58 HH TYR 11 HH TYR 11 6.286 -0.290 4.616
59 HA PRO 12 HA PRO 12 6.788 -6.465 1.965
60 1HB PRO 12 2HB PRO 12 5.986 -8.853 3.070
61 2HB PRO 12 1HB PRO 12 5.592 -8.356 1.416
62 1HG PRO 12 2HG PRO 12 7.585 -10.371 2.346
63 2HG PRO 12 1HG PRO 12 6.714 -10.282 0.805
64 1HD PRO 12 2HD PRO 12 9.403 -9.513 1.229
65 2HD PRO 12 1HD PRO 12 8.417 -9.116 -0.194
66 H LYS 13 H LYS 13 6.112 -6.506 4.334
67 HA LYS 13 HA LYS 13 8.547 -6.723 6.047
68 1HB LYS 13 2HB LYS 13 6.036 -5.246 6.812
69 2HB LYS 13 1HB LYS 13 7.694 -4.967 7.352
70 1HG LYS 13 2HG LYS 13 8.270 -4.297 4.991
71 2HG LYS 13 1HG LYS 13 6.551 -4.389 4.606
72 1HD LYS 13 2HD LYS 13 6.208 -2.343 5.474
73 2HD LYS 13 1HD LYS 13 6.907 -2.848 7.013
74 1HE LYS 13 2HE LYS 13 9.196 -2.512 5.923
75 2HE LYS 13 1HE LYS 13 8.344 -1.699 4.611
76 1HZ LYS 13 1HZ LYS 13 8.933 -0.008 6.082
77 2HZ LYS 13 2HZ LYS 13 8.510 -0.915 7.457
78 3HZ LYS 13 3HZ LYS 13 7.301 -0.302 6.433
79 HA PRO 14 HA PRO 14 6.645 -9.930 8.363
80 1HB PRO 14 2HB PRO 14 7.962 -9.566 10.748
81 2HB PRO 14 1HB PRO 14 8.716 -10.280 9.312
82 1HG PRO 14 2HG PRO 14 9.091 -7.557 10.469
83 2HG PRO 14 1HG PRO 14 10.207 -8.524 9.490
84 1HD PRO 14 2HD PRO 14 8.630 -6.366 8.558
85 2HD PRO 14 1HD PRO 14 9.487 -7.548 7.546
86 H ALA 15 H ALA 15 6.030 -6.688 8.965
87 HA ALA 15 HA ALA 15 3.602 -7.219 10.404
88 1HB ALA 15 1HB ALA 15 5.901 -6.068 12.014
89 2HB ALA 15 2HB ALA 15 5.113 -7.621 12.289
90 3HB ALA 15 3HB ALA 15 4.223 -6.121 12.552
91 H CYS 16 H CYS 16 2.452 -5.182 10.924
92 HA CYS 16 HA CYS 16 3.526 -2.886 9.330
93 1HB CYS 16 2HB CYS 16 0.662 -3.765 9.805
94 2HB CYS 16 1HB CYS 16 1.114 -2.256 9.015
95 H THR 17 H THR 17 1.692 -0.959 10.219
96 HA THR 17 HA THR 17 2.214 -0.876 13.163
97 HB THR 17 HB THR 17 2.376 1.690 12.721
98 HG1 THR 17 1HG THR 17 2.970 2.227 10.678
99 1HG2 THR 17 1HG2 THR 17 4.821 1.432 12.182
100 2HG2 THR 17 2HG2 THR 17 4.524 -0.284 11.905
101 3HG2 THR 17 3HG2 THR 17 4.270 0.408 13.508
102 H MET 18 H MET 18 0.776 0.938 14.173
103 HA MET 18 HA MET 18 -1.979 0.308 13.518
104 1HB MET 18 2HB MET 18 -2.554 1.724 15.373
105 2HB MET 18 1HB MET 18 -1.080 0.869 15.832
106 1HG MET 18 2HG MET 18 0.028 3.022 14.659
107 2HG MET 18 1HG MET 18 -1.483 3.749 15.204
108 1HE MET 18 1HE MET 18 -0.050 5.144 18.172
109 2HE MET 18 2HE MET 18 -0.780 5.288 16.575
110 3HE MET 18 3HE MET 18 0.969 5.131 16.727
111 H GLU 19 H GLU 19 0.192 2.339 12.035
112 HA GLU 19 HA GLU 19 -1.033 4.787 11.602
113 1HB GLU 19 2HB GLU 19 1.117 4.026 10.563
114 2HB GLU 19 1HB GLU 19 0.178 3.076 9.413
115 1HG GLU 19 2HG GLU 19 0.448 5.035 8.201
116 2HG GLU 19 1HG GLU 19 -1.069 5.387 9.031
117 H TYR 20 H TYR 20 -2.813 5.520 10.483
118 HA TYR 20 HA TYR 20 -4.561 3.428 9.241
119 1HB TYR 20 2HB TYR 20 -5.248 4.915 11.333
120 2HB TYR 20 1HB TYR 20 -5.594 6.097 10.073
121 HD1 TYR 20 1HD TYR 20 -6.199 2.495 10.919
122 HD2 TYR 20 2HD TYR 20 -7.662 6.032 8.970
123 HE1 TYR 20 1HE TYR 20 -8.330 1.333 10.409
124 HE2 TYR 20 2HE TYR 20 -9.794 4.869 8.461
125 HH TYR 20 HH TYR 20 -10.380 1.536 9.576
126 H ARG 21 H ARG 21 -2.511 4.597 7.731
127 HA ARG 21 HA ARG 21 -3.546 6.860 6.220
128 1HB ARG 21 2HB ARG 21 -1.067 6.179 6.598
129 2HB ARG 21 1HB ARG 21 -1.340 5.043 5.279
130 1HG ARG 21 2HG ARG 21 -0.508 7.021 4.244
131 2HG ARG 21 1HG ARG 21 -2.245 7.025 3.944
132 1HD ARG 21 2HD ARG 21 -2.245 8.344 6.278
133 2HD ARG 21 1HD ARG 21 -0.627 8.781 5.727
134 HE ARG 21 HE ARG 21 -2.349 9.216 3.542
135 1HH1 ARG 21 1HH1 ARG 21 -0.607 11.158 5.305
136 2HH1 ARG 21 2HH1 ARG 21 -1.797 12.365 5.655
137 1HH2 ARG 21 1HH2 ARG 21 -4.468 10.401 4.627
138 2HH2 ARG 21 2HH2 ARG 21 -3.989 11.936 5.270
139 HA PRO 22 HA PRO 22 -6.009 4.105 3.694
140 1HB PRO 22 2HB PRO 22 -7.323 6.118 2.366
141 2HB PRO 22 1HB PRO 22 -7.765 5.560 3.990
142 1HG PRO 22 2HG PRO 22 -6.352 8.061 3.184
143 2HG PRO 22 1HG PRO 22 -7.350 7.748 4.613
144 1HD PRO 22 2HD PRO 22 -4.521 7.808 4.547
145 2HD PRO 22 1HD PRO 22 -5.522 7.172 5.872
146 H LEU 23 H LEU 23 -5.045 3.148 1.953
147 HA LEU 23 HA LEU 23 -3.980 4.918 -0.213
148 1HB LEU 23 2HB LEU 23 -2.809 2.469 1.073
149 2HB LEU 23 1HB LEU 23 -2.485 2.772 -0.637
150 HG LEU 23 HG LEU 23 -2.145 5.028 1.306
151 1HD1 LEU 23 1HD1 LEU 23 -0.594 2.515 1.274
152 2HD1 LEU 23 2HD1 LEU 23 -0.707 3.754 2.526
153 3HD1 LEU 23 3HD1 LEU 23 0.381 3.981 1.156
154 1HD2 LEU 23 1HD2 LEU 23 -1.871 5.513 -1.047
155 2HD2 LEU 23 2HD2 LEU 23 -0.812 4.121 -1.262
156 3HD2 LEU 23 3HD2 LEU 23 -0.265 5.508 -0.320
157 H CYS 24 H CYS 24 -5.370 4.701 -1.919
158 HA CYS 24 HA CYS 24 -6.934 2.216 -2.203
159 1HB CYS 24 2HB CYS 24 -7.931 4.510 -2.568
160 2HB CYS 24 1HB CYS 24 -6.928 4.645 -4.014
161 H GLY 25 H GLY 25 -5.327 0.698 -2.846
162 1HA GLY 25 2HA GLY 25 -3.345 1.044 -4.808
163 2HA GLY 25 1HA GLY 25 -4.112 -0.504 -4.454
164 H SER 26 H SER 26 -3.325 0.681 -7.089
165 HA SER 26 HA SER 26 -5.489 1.652 -8.587
166 1HB SER 26 2HB SER 26 -4.346 0.223 -10.479
167 2HB SER 26 1HB SER 26 -3.482 1.581 -9.763
168 HG SER 26 HG SER 26 -2.950 -1.092 -9.663
169 H ASP 27 H ASP 27 -5.175 -1.452 -7.113
170 HA ASP 27 HA ASP 27 -7.057 -2.770 -8.945
171 1HB ASP 27 2HB ASP 27 -6.736 -4.719 -7.614
172 2HB ASP 27 1HB ASP 27 -5.159 -3.936 -7.687
173 H ASN 28 H ASN 28 -7.778 -0.331 -7.215
174 HA ASN 28 HA ASN 28 -9.682 0.415 -6.073
175 1HB ASN 28 2HB ASN 28 -10.652 -1.133 -7.991
176 2HB ASN 28 1HB ASN 28 -11.057 -2.188 -6.638
177 1HD2 ASN 28 1HD2 ASN 28 -12.358 0.258 -8.488
178 2HD2 ASN 28 2HD2 ASN 28 -13.446 0.910 -7.360
179 H LYS 29 H LYS 29 -7.658 -0.918 -4.532
180 HA LYS 29 HA LYS 29 -9.382 -2.270 -2.484
181 1HB LYS 29 2HB LYS 29 -6.857 -3.077 -3.677
182 2HB LYS 29 1HB LYS 29 -6.731 -2.960 -1.922
183 1HG LYS 29 2HG LYS 29 -9.222 -4.223 -2.821
184 2HG LYS 29 1HG LYS 29 -7.777 -5.115 -3.295
185 1HD LYS 29 2HD LYS 29 -7.083 -4.579 -0.767
186 2HD LYS 29 1HD LYS 29 -8.836 -4.533 -0.565
187 1HE LYS 29 2HE LYS 29 -8.878 -6.776 -1.814
188 2HE LYS 29 1HE LYS 29 -7.133 -6.825 -1.561
189 1HZ LYS 29 1HZ LYS 29 -9.208 -7.415 0.266
190 2HZ LYS 29 2HZ LYS 29 -8.265 -6.137 0.868
191 3HZ LYS 29 3HZ LYS 29 -7.535 -7.614 0.454
192 H THR 30 H THR 30 -9.444 -1.303 -0.505
193 HA THR 30 HA THR 30 -7.817 1.125 -0.105
194 HB THR 30 HB THR 30 -10.139 -0.129 1.364
195 HG1 THR 30 1HG THR 30 -11.076 1.244 0.107
196 1HG2 THR 30 1HG2 THR 30 -9.993 1.712 2.997
197 2HG2 THR 30 2HG2 THR 30 -8.488 2.254 2.255
198 3HG2 THR 30 3HG2 THR 30 -8.556 0.691 3.070
199 H TYR 31 H TYR 31 -6.025 1.184 1.178
200 HA TYR 31 HA TYR 31 -5.394 -1.252 2.777
201 1HB TYR 31 2HB TYR 31 -3.663 0.729 1.297
202 2HB TYR 31 1HB TYR 31 -3.008 -0.388 2.489
203 HD1 TYR 31 1HD TYR 31 -2.992 -0.071 -0.810
204 HD2 TYR 31 2HD TYR 31 -4.584 -2.813 2.084
205 HE1 TYR 31 1HE TYR 31 -2.992 -1.868 -2.517
206 HE2 TYR 31 2HE TYR 31 -4.583 -4.613 0.381
207 HH TYR 31 HH TYR 31 -4.640 -4.331 -2.584
208 H GLY 32 H GLY 32 -4.286 -0.877 4.826
209 1HA GLY 32 2HA GLY 32 -5.348 1.462 6.224
210 2HA GLY 32 1HA GLY 32 -4.399 0.166 6.951
211 H ASN 33 H ASN 33 -2.323 0.552 4.743
212 HA ASN 33 HA ASN 33 -1.287 3.215 4.981
213 1HB ASN 33 2HB ASN 33 0.695 2.572 6.455
214 2HB ASN 33 1HB ASN 33 -0.853 2.742 7.283
215 1HD2 ASN 33 1HD2 ASN 33 0.004 1.223 8.960
216 2HD2 ASN 33 2HD2 ASN 33 0.016 -0.445 8.649
217 H LYS 34 H LYS 34 1.304 2.992 4.580
218 HA LYS 34 HA LYS 34 1.544 1.778 1.992
219 1HB LYS 34 2HB LYS 34 3.733 2.646 1.954
220 2HB LYS 34 1HB LYS 34 2.871 3.767 3.004
221 1HG LYS 34 2HG LYS 34 3.658 2.070 4.895
222 2HG LYS 34 1HG LYS 34 4.911 1.696 3.713
223 1HD LYS 34 2HD LYS 34 5.572 4.039 3.603
224 2HD LYS 34 1HD LYS 34 4.253 4.490 4.683
225 1HE LYS 34 2HE LYS 34 6.354 4.336 5.941
226 2HE LYS 34 1HE LYS 34 5.242 3.072 6.461
227 1HZ LYS 34 1HZ LYS 34 7.351 2.076 6.148
228 2HZ LYS 34 2HZ LYS 34 7.553 2.798 4.623
229 3HZ LYS 34 3HZ LYS 34 6.387 1.582 4.844
230 H CYS 35 H CYS 35 1.851 0.485 5.154
231 HA CYS 35 HA CYS 35 3.774 -1.594 4.510
232 1HB CYS 35 2HB CYS 35 3.351 -0.906 6.843
233 2HB CYS 35 1HB CYS 35 1.686 -1.477 6.709
234 H ASN 36 H ASN 36 0.239 -1.344 4.573
235 HA ASN 36 HA ASN 36 -0.100 -4.117 3.690
236 1HB ASN 36 2HB ASN 36 -1.699 -2.203 4.972
237 2HB ASN 36 1HB ASN 36 -2.415 -2.390 3.374
238 1HD2 ASN 36 1HD2 ASN 36 -1.519 -4.174 6.325
239 2HD2 ASN 36 2HD2 ASN 36 -2.501 -5.524 6.010
240 H PHE 37 H PHE 37 0.681 -1.182 2.233
241 HA PHE 37 HA PHE 37 -0.702 -1.720 -0.315
242 1HB PHE 37 2HB PHE 37 -0.425 0.608 0.513
243 2HB PHE 37 1HB PHE 37 1.325 0.414 0.423
244 HD1 PHE 37 1HD PHE 37 2.174 1.629 -1.379
245 HD2 PHE 37 2HD PHE 37 -1.473 -0.586 -1.861
246 HE1 PHE 37 1HE PHE 37 2.119 2.238 -3.783
247 HE2 PHE 37 2HE PHE 37 -1.529 0.022 -4.260
248 HZ PHE 37 HZ PHE 37 0.267 1.433 -5.224
249 H CYS 38 H CYS 38 2.695 -1.355 0.745
250 HA CYS 38 HA CYS 38 3.801 -2.355 -1.707
251 1HB CYS 38 2HB CYS 38 4.832 -1.872 1.067
252 2HB CYS 38 1HB CYS 38 5.808 -2.838 -0.040
253 H ASN 39 H ASN 39 2.542 -3.850 1.182
254 HA ASN 39 HA ASN 39 3.692 -6.477 0.640
255 1HB ASN 39 2HB ASN 39 1.952 -5.268 2.667
256 2HB ASN 39 1HB ASN 39 1.431 -6.890 2.214
257 1HD2 ASN 39 1HD2 ASN 39 2.156 -7.735 4.315
258 2HD2 ASN 39 2HD2 ASN 39 3.808 -7.952 4.641
259 H ALA 40 H ALA 40 0.493 -4.981 0.217
260 HA ALA 40 HA ALA 40 -0.738 -7.222 -1.052
261 1HB ALA 40 1HB ALA 40 -1.642 -4.794 -2.280
262 2HB ALA 40 2HB ALA 40 -1.386 -4.481 -0.566
263 3HB ALA 40 3HB ALA 40 -2.471 -5.774 -1.070
264 H VAL 41 H VAL 41 1.657 -4.952 -2.026
265 HA VAL 41 HA VAL 41 1.401 -5.363 -4.895
266 HB VAL 41 HB VAL 41 3.591 -4.196 -3.158
267 1HG1 VAL 41 1HG1 VAL 41 4.693 -3.478 -5.189
268 2HG1 VAL 41 2HG1 VAL 41 3.397 -4.146 -6.181
269 3HG1 VAL 41 3HG1 VAL 41 4.466 -5.224 -5.281
270 1HG2 VAL 41 1HG2 VAL 41 1.990 -2.690 -5.191
271 2HG2 VAL 41 2HG2 VAL 41 2.692 -2.124 -3.675
272 3HG2 VAL 41 3HG2 VAL 41 1.223 -3.099 -3.657
273 H VAL 42 H VAL 42 3.320 -6.765 -2.260
274 HA VAL 42 HA VAL 42 4.927 -8.393 -4.082
275 HB VAL 42 HB VAL 42 4.524 -8.806 -1.106
276 1HG1 VAL 42 1HG1 VAL 42 7.051 -9.308 -2.642
277 2HG1 VAL 42 2HG1 VAL 42 5.738 -10.477 -2.762
278 3HG1 VAL 42 3HG1 VAL 42 6.449 -10.109 -1.191
279 1HG2 VAL 42 1HG2 VAL 42 6.939 -7.467 -1.520
280 2HG2 VAL 42 2HG2 VAL 42 5.471 -6.767 -0.842
281 3HG2 VAL 42 3HG2 VAL 42 5.800 -6.622 -2.568
282 H GLU 43 H GLU 43 1.817 -8.667 -2.585
283 HA GLU 43 HA GLU 43 1.720 -11.595 -2.836
284 1HB GLU 43 2HB GLU 43 -0.506 -9.614 -2.253
285 2HB GLU 43 1HB GLU 43 -0.598 -11.365 -2.062
286 1HG GLU 43 2HG GLU 43 1.698 -10.145 -0.683
287 2HG GLU 43 1HG GLU 43 0.132 -9.606 -0.072
288 H SER 44 H SER 44 0.699 -8.755 -4.643
289 HA SER 44 HA SER 44 -0.920 -10.298 -6.532
290 1HB SER 44 2HB SER 44 -0.503 -7.533 -5.912
291 2HB SER 44 1HB SER 44 -0.164 -7.772 -7.624
292 HG SER 44 HG SER 44 -2.228 -7.958 -7.905
293 H ASN 45 H ASN 45 2.366 -9.958 -6.052
294 HA ASN 45 HA ASN 45 4.145 -10.772 -7.365
295 1HB ASN 45 2HB ASN 45 2.127 -12.112 -8.466
296 2HB ASN 45 1HB ASN 45 2.414 -10.991 -9.797
297 1HD2 ASN 45 1HD2 ASN 45 4.147 -11.477 -11.181
298 2HD2 ASN 45 2HD2 ASN 45 5.333 -12.648 -10.860
299 H GLY 46 H GLY 46 2.901 -7.955 -7.336
300 1HA GLY 46 2HA GLY 46 4.043 -5.978 -8.127
301 2HA GLY 46 1HA GLY 46 4.642 -6.909 -9.502
302 H THR 47 H THR 47 1.568 -7.877 -9.385
303 HA THR 47 HA THR 47 0.757 -5.955 -11.470
304 HB THR 47 HB THR 47 -1.154 -7.493 -11.793
305 HG1 THR 47 1HG THR 47 -1.393 -8.139 -9.635
306 1HG2 THR 47 1HG2 THR 47 0.252 -9.569 -12.299
307 2HG2 THR 47 2HG2 THR 47 1.614 -8.689 -11.601
308 3HG2 THR 47 3HG2 THR 47 0.800 -8.061 -13.033
309 H LEU 48 H LEU 48 0.943 -4.862 -8.840
310 HA LEU 48 HA LEU 48 -1.830 -3.900 -8.547
311 1HB LEU 48 2HB LEU 48 -1.507 -5.917 -7.004
312 2HB LEU 48 1HB LEU 48 -0.350 -4.925 -6.117
313 HG LEU 48 HG LEU 48 -2.722 -3.382 -6.592
314 1HD1 LEU 48 1HD1 LEU 48 -4.174 -5.182 -6.671
315 2HD1 LEU 48 2HD1 LEU 48 -4.070 -4.959 -4.923
316 3HD1 LEU 48 3HD1 LEU 48 -3.114 -6.214 -5.711
317 1HD2 LEU 48 1HD2 LEU 48 -1.300 -4.511 -4.172
318 2HD2 LEU 48 2HD2 LEU 48 -2.728 -3.486 -4.025
319 3HD2 LEU 48 3HD2 LEU 48 -1.265 -2.855 -4.779
320 H THR 49 H THR 49 -1.265 -1.806 -8.994
321 HA THR 49 HA THR 49 1.042 -0.623 -7.531
322 HB THR 49 HB THR 49 0.936 1.180 -9.143
323 HG1 THR 49 1HG THR 49 -0.856 0.561 -10.849
324 1HG2 THR 49 1HG2 THR 49 1.006 -0.205 -11.316
325 2HG2 THR 49 2HG2 THR 49 0.669 -1.598 -10.287
326 3HG2 THR 49 3HG2 THR 49 2.136 -0.649 -10.037
327 H LEU 50 H LEU 50 -0.039 2.053 -7.830
328 HA LEU 50 HA LEU 50 -2.005 1.986 -5.603
329 1HB LEU 50 2HB LEU 50 -0.600 3.438 -4.607
330 2HB LEU 50 1HB LEU 50 0.450 3.404 -6.012
331 HG LEU 50 HG LEU 50 -1.464 5.120 -6.909
332 1HD1 LEU 50 1HD1 LEU 50 -1.227 5.567 -3.923
333 2HD1 LEU 50 2HD1 LEU 50 -2.679 5.014 -4.748
334 3HD1 LEU 50 3HD1 LEU 50 -2.050 6.630 -5.062
335 1HD2 LEU 50 1HD2 LEU 50 0.432 6.308 -7.065
336 2HD2 LEU 50 2HD2 LEU 50 1.210 5.233 -5.903
337 3HD2 LEU 50 3HD2 LEU 50 0.340 6.659 -5.341
338 H SER 51 H SER 51 -3.645 3.780 -5.684
339 HA SER 51 HA SER 51 -4.334 4.477 -8.507
340 1HB SER 51 2HB SER 51 -6.481 3.754 -8.221
341 2HB SER 51 1HB SER 51 -5.782 2.773 -6.936
342 HG SER 51 HG SER 51 -7.608 4.082 -6.301
343 H HIS 52 H HIS 52 -4.446 5.420 -5.097
344 HA HIS 52 HA HIS 52 -3.851 8.122 -5.566
345 1HB HIS 52 2HB HIS 52 -5.841 9.271 -5.757
346 2HB HIS 52 1HB HIS 52 -6.323 7.777 -6.551
347 HD1 HIS 52 1HD HIS 52 -7.786 6.094 -5.128
348 HD2 HIS 52 2HD HIS 52 -7.142 9.796 -3.322
349 HE1 HIS 52 1HE HIS 52 -9.454 6.264 -3.230
350 H PHE 53 H PHE 53 -2.791 8.363 -3.697
351 HA PHE 53 HA PHE 53 -3.008 6.956 -1.343
352 1HB PHE 53 2HB PHE 53 -2.194 9.787 -1.918
353 2HB PHE 53 1HB PHE 53 -2.287 9.239 -0.247
354 HD1 PHE 53 1HD PHE 53 -1.364 7.280 -3.273
355 HD2 PHE 53 2HD PHE 53 -0.004 9.030 0.404
356 HE1 PHE 53 1HE PHE 53 0.816 6.123 -3.536
357 HE2 PHE 53 2HE PHE 53 2.181 7.875 0.139
358 HZ PHE 53 HZ PHE 53 2.583 6.433 -1.831
359 H GLY 54 H GLY 54 -5.123 6.461 -0.751
360 1HA GLY 54 2HA GLY 54 -6.492 7.863 1.153
361 2HA GLY 54 1HA GLY 54 -7.108 8.576 -0.341
362 H LYS 55 H LYS 55 -8.941 7.265 1.182
363 HA LYS 55 HA LYS 55 -9.140 4.460 0.325
364 1HB LYS 55 2HB LYS 55 -9.965 4.949 2.529
365 2HB LYS 55 1HB LYS 55 -10.953 6.280 1.930
366 1HG LYS 55 2HG LYS 55 -12.364 4.727 0.683
367 2HG LYS 55 1HG LYS 55 -11.334 3.374 1.154
368 1HD LYS 55 2HD LYS 55 -12.715 3.122 2.927
369 2HD LYS 55 1HD LYS 55 -11.956 4.576 3.577
370 1HE LYS 55 2HE LYS 55 -13.657 5.969 2.455
371 2HE LYS 55 1HE LYS 55 -14.423 4.513 1.815
372 1HZ LYS 55 1HZ LYS 55 -15.636 4.844 3.702
373 2HZ LYS 55 2HZ LYS 55 -14.338 5.513 4.570
374 3HZ LYS 55 3HZ LYS 55 -14.421 3.835 4.318
375 H CYS 56 H CYS 56 -10.830 3.660 -1.052
376 HA CYS 56 HA CYS 56 -11.791 5.703 -2.995
377 1HB CYS 56 2HB CYS 56 -11.225 2.758 -3.151
378 2HB CYS 56 1HB CYS 56 -12.376 3.474 -4.282
Start of MODEL 8
1 1H ALA 3 1HT ALA 3 -1.760 1.456 -1.543
2 2H ALA 3 2HT ALA 3 -2.927 0.798 -2.591
3 3H ALA 3 3HT ALA 3 -3.203 2.294 -1.846
4 HA ALA 3 HA ALA 3 -2.127 1.878 -4.332
5 1HB ALA 3 1HB ALA 3 -3.014 3.998 -2.658
6 2HB ALA 3 2HB ALA 3 -2.781 4.025 -4.403
7 3HB ALA 3 3HB ALA 3 -1.457 4.480 -3.331
8 H VAL 4 H VAL 4 -0.083 2.669 -5.230
9 HA VAL 4 HA VAL 4 2.201 1.796 -3.598
10 HB VAL 4 HB VAL 4 2.002 0.996 -5.915
11 1HG1 VAL 4 1HG1 VAL 4 0.934 2.554 -7.210
12 2HG1 VAL 4 2HG1 VAL 4 2.601 2.885 -7.672
13 3HG1 VAL 4 3HG1 VAL 4 1.795 3.911 -6.490
14 1HG2 VAL 4 1HG2 VAL 4 4.243 0.928 -5.895
15 2HG2 VAL 4 2HG2 VAL 4 4.275 2.284 -4.767
16 3HG2 VAL 4 3HG2 VAL 4 4.295 2.581 -6.506
17 H SER 5 H SER 5 3.402 4.126 -5.748
18 HA SER 5 HA SER 5 4.258 6.262 -5.357
19 1HB SER 5 2HB SER 5 2.222 7.313 -5.090
20 2HB SER 5 1HB SER 5 1.688 6.195 -3.841
21 HG SER 5 HG SER 5 2.204 8.348 -3.088
22 H VAL 6 H VAL 6 4.881 3.771 -3.759
23 HA VAL 6 HA VAL 6 6.343 5.128 -1.537
24 HB VAL 6 HB VAL 6 4.481 3.910 -0.524
25 1HG1 VAL 6 1HG1 VAL 6 3.766 2.333 -2.086
26 2HG1 VAL 6 2HG1 VAL 6 4.600 1.306 -0.919
27 3HG1 VAL 6 3HG1 VAL 6 5.401 1.769 -2.420
28 1HG2 VAL 6 1HG2 VAL 6 6.482 3.754 0.778
29 2HG2 VAL 6 2HG2 VAL 6 7.183 2.558 -0.311
30 3HG2 VAL 6 3HG2 VAL 6 5.825 2.118 0.724
31 H ASP 7 H ASP 7 8.424 4.075 -1.074
32 HA ASP 7 HA ASP 7 9.444 2.635 -3.452
33 1HB ASP 7 2HB ASP 7 10.496 4.687 -1.936
34 2HB ASP 7 1HB ASP 7 11.362 3.277 -1.333
35 H CYS 8 H CYS 8 7.772 1.258 -1.516
36 HA CYS 8 HA CYS 8 7.993 -0.460 0.229
37 1HB CYS 8 2HB CYS 8 8.828 -1.524 -2.480
38 2HB CYS 8 1HB CYS 8 8.383 -2.548 -1.113
39 H SER 9 H SER 9 10.019 0.736 1.164
40 HA SER 9 HA SER 9 12.650 0.355 0.820
41 1HB SER 9 2HB SER 9 11.433 -0.433 3.471
42 2HB SER 9 1HB SER 9 12.996 0.325 3.184
43 HG SER 9 HG SER 9 12.024 2.204 2.767
44 H GLU 10 H GLU 10 10.926 -2.209 2.657
45 HA GLU 10 HA GLU 10 12.315 -4.267 1.083
46 1HB GLU 10 2HB GLU 10 13.176 -5.303 3.302
47 2HB GLU 10 1HB GLU 10 14.087 -3.963 2.606
48 1HG GLU 10 2HG GLU 10 12.069 -2.806 4.226
49 2HG GLU 10 1HG GLU 10 12.785 -4.110 5.171
50 H TYR 11 H TYR 11 10.194 -4.953 0.592
51 HA TYR 11 HA TYR 11 8.627 -6.047 2.894
52 1HB TYR 11 2HB TYR 11 7.844 -4.918 0.213
53 2HB TYR 11 1HB TYR 11 6.755 -6.010 1.064
54 HD1 TYR 11 1HD TYR 11 5.359 -5.190 2.783
55 HD2 TYR 11 2HD TYR 11 8.782 -2.909 1.543
56 HE1 TYR 11 1HE TYR 11 4.649 -3.317 4.252
57 HE2 TYR 11 2HE TYR 11 8.073 -1.041 3.008
58 HH TYR 11 HH TYR 11 6.592 -0.332 4.491
59 HA PRO 12 HA PRO 12 6.531 -7.092 2.456
60 1HB PRO 12 2HB PRO 12 5.671 -9.482 3.488
61 2HB PRO 12 1HB PRO 12 5.256 -8.913 1.861
62 1HG PRO 12 2HG PRO 12 7.175 -11.043 2.667
63 2HG PRO 12 1HG PRO 12 6.290 -10.848 1.146
64 1HD PRO 12 2HD PRO 12 9.018 -10.203 1.590
65 2HD PRO 12 1HD PRO 12 8.049 -9.754 0.172
66 H LYS 13 H LYS 13 6.055 -6.912 4.757
67 HA LYS 13 HA LYS 13 8.428 -7.506 6.460
68 1HB LYS 13 2HB LYS 13 6.093 -5.708 7.152
69 2HB LYS 13 1HB LYS 13 7.699 -5.726 7.880
70 1HG LYS 13 2HG LYS 13 8.691 -4.926 5.791
71 2HG LYS 13 1HG LYS 13 7.114 -4.985 4.999
72 1HD LYS 13 2HD LYS 13 6.367 -3.087 6.038
73 2HD LYS 13 1HD LYS 13 7.254 -3.427 7.524
74 1HE LYS 13 2HE LYS 13 8.850 -2.803 5.079
75 2HE LYS 13 1HE LYS 13 8.006 -1.468 5.866
76 1HZ LYS 13 1HZ LYS 13 9.609 -3.351 7.465
77 2HZ LYS 13 2HZ LYS 13 9.195 -1.739 7.802
78 3HZ LYS 13 3HZ LYS 13 10.373 -2.088 6.629
79 HA PRO 14 HA PRO 14 6.112 -10.423 8.796
80 1HB PRO 14 2HB PRO 14 7.322 -10.124 11.246
81 2HB PRO 14 1HB PRO 14 8.083 -10.947 9.874
82 1HG PRO 14 2HG PRO 14 8.662 -8.247 10.998
83 2HG PRO 14 1HG PRO 14 9.726 -9.340 10.095
84 1HD PRO 14 2HD PRO 14 8.407 -7.057 9.049
85 2HD PRO 14 1HD PRO 14 9.213 -8.326 8.102
86 H ALA 15 H ALA 15 6.100 -7.075 9.623
87 HA ALA 15 HA ALA 15 3.425 -7.287 10.768
88 1HB ALA 15 1HB ALA 15 4.305 -7.661 12.870
89 2HB ALA 15 2HB ALA 15 4.393 -5.899 12.840
90 3HB ALA 15 3HB ALA 15 5.828 -6.860 12.487
91 H CYS 16 H CYS 16 2.356 -5.284 10.647
92 HA CYS 16 HA CYS 16 3.917 -3.131 9.302
93 1HB CYS 16 2HB CYS 16 1.015 -3.914 9.333
94 2HB CYS 16 1HB CYS 16 1.465 -2.259 8.927
95 H THR 17 H THR 17 3.366 -0.868 9.942
96 HA THR 17 HA THR 17 3.354 -0.618 12.855
97 HB THR 17 HB THR 17 3.022 1.926 11.616
98 HG1 THR 17 1HG THR 17 4.879 1.725 10.187
99 1HG2 THR 17 1HG2 THR 17 5.575 0.583 12.541
100 2HG2 THR 17 2HG2 THR 17 4.379 1.274 13.639
101 3HG2 THR 17 3HG2 THR 17 5.234 2.314 12.499
102 H MET 18 H MET 18 1.863 1.414 13.597
103 HA MET 18 HA MET 18 -0.891 0.487 13.085
104 1HB MET 18 2HB MET 18 0.386 1.427 15.340
105 2HB MET 18 1HB MET 18 -0.521 2.845 14.810
106 1HG MET 18 2HG MET 18 -1.954 0.230 14.787
107 2HG MET 18 1HG MET 18 -1.623 0.952 16.362
108 1HE MET 18 1HE MET 18 -3.410 2.435 17.443
109 2HE MET 18 2HE MET 18 -4.029 0.920 16.794
110 3HE MET 18 3HE MET 18 -4.959 2.402 16.594
111 H GLU 19 H GLU 19 0.902 2.151 11.184
112 HA GLU 19 HA GLU 19 -0.175 4.767 10.923
113 1HB GLU 19 2HB GLU 19 1.658 3.196 9.521
114 2HB GLU 19 1HB GLU 19 0.379 3.514 8.349
115 1HG GLU 19 2HG GLU 19 1.493 5.474 8.027
116 2HG GLU 19 1HG GLU 19 0.642 5.976 9.490
117 H TYR 20 H TYR 20 -2.209 5.388 10.446
118 HA TYR 20 HA TYR 20 -4.061 3.409 9.208
119 1HB TYR 20 2HB TYR 20 -4.494 4.829 11.399
120 2HB TYR 20 1HB TYR 20 -4.923 6.079 10.234
121 HD1 TYR 20 1HD TYR 20 -5.744 2.679 11.450
122 HD2 TYR 20 2HD TYR 20 -6.921 5.922 8.891
123 HE1 TYR 20 1HE TYR 20 -7.962 1.620 11.130
124 HE2 TYR 20 2HE TYR 20 -9.140 4.862 8.569
125 HH TYR 20 HH TYR 20 -9.922 2.122 8.811
126 H ARG 21 H ARG 21 -2.142 4.618 7.539
127 HA ARG 21 HA ARG 21 -3.313 6.906 6.168
128 1HB ARG 21 2HB ARG 21 -0.788 5.697 6.250
129 2HB ARG 21 1HB ARG 21 -1.360 5.430 4.602
130 1HG ARG 21 2HG ARG 21 -0.627 7.543 4.214
131 2HG ARG 21 1HG ARG 21 -2.104 8.040 5.044
132 1HD ARG 21 2HD ARG 21 -0.302 7.447 7.104
133 2HD ARG 21 1HD ARG 21 0.661 8.307 5.903
134 HE ARG 21 HE ARG 21 -1.190 10.087 6.015
135 1HH1 ARG 21 1HH1 ARG 21 0.447 8.698 8.591
136 2HH1 ARG 21 2HH1 ARG 21 -0.556 9.382 9.828
137 1HH2 ARG 21 1HH2 ARG 21 -2.906 10.627 7.605
138 2HH2 ARG 21 2HH2 ARG 21 -2.458 10.465 9.270
139 HA PRO 22 HA PRO 22 -5.948 4.133 3.811
140 1HB PRO 22 2HB PRO 22 -7.508 6.148 2.783
141 2HB PRO 22 1HB PRO 22 -7.740 5.461 4.400
142 1HG PRO 22 2HG PRO 22 -6.548 8.085 3.629
143 2HG PRO 22 1HG PRO 22 -7.375 7.625 5.126
144 1HD PRO 22 2HD PRO 22 -4.578 7.855 4.792
145 2HD PRO 22 1HD PRO 22 -5.402 7.060 6.150
146 H LEU 23 H LEU 23 -5.027 3.373 1.942
147 HA LEU 23 HA LEU 23 -4.196 5.381 -0.113
148 1HB LEU 23 2HB LEU 23 -3.137 2.571 0.321
149 2HB LEU 23 1HB LEU 23 -2.574 3.708 -0.901
150 HG LEU 23 HG LEU 23 -2.323 3.947 2.102
151 1HD1 LEU 23 1HD1 LEU 23 0.082 4.535 0.842
152 2HD1 LEU 23 2HD1 LEU 23 -0.587 3.236 -0.145
153 3HD1 LEU 23 3HD1 LEU 23 -0.338 2.991 1.583
154 1HD2 LEU 23 1HD2 LEU 23 -2.730 6.170 1.687
155 2HD2 LEU 23 2HD2 LEU 23 -2.357 6.021 -0.031
156 3HD2 LEU 23 3HD2 LEU 23 -1.050 6.141 1.148
157 H CYS 24 H CYS 24 -5.411 5.328 -1.953
158 HA CYS 24 HA CYS 24 -7.321 3.106 -2.317
159 1HB CYS 24 2HB CYS 24 -8.141 5.392 -2.660
160 2HB CYS 24 1HB CYS 24 -6.894 5.681 -3.872
161 H GLY 25 H GLY 25 -5.843 1.417 -2.909
162 1HA GLY 25 2HA GLY 25 -3.802 1.588 -4.845
163 2HA GLY 25 1HA GLY 25 -4.670 0.105 -4.461
164 H SER 26 H SER 26 -3.736 1.192 -7.091
165 HA SER 26 HA SER 26 -5.832 2.235 -8.662
166 1HB SER 26 2HB SER 26 -3.515 0.428 -9.258
167 2HB SER 26 1HB SER 26 -4.710 0.743 -10.514
168 HG SER 26 HG SER 26 -4.246 2.892 -10.412
169 H ASP 27 H ASP 27 -5.642 -0.841 -7.138
170 HA ASP 27 HA ASP 27 -7.532 -2.140 -8.977
171 1HB ASP 27 2HB ASP 27 -7.352 -4.047 -7.461
172 2HB ASP 27 1HB ASP 27 -5.739 -3.419 -7.801
173 H ASN 28 H ASN 28 -8.200 0.349 -7.320
174 HA ASN 28 HA ASN 28 -10.056 1.169 -6.150
175 1HB ASN 28 2HB ASN 28 -10.997 -0.645 -8.032
176 2HB ASN 28 1HB ASN 28 -11.742 -1.194 -6.530
177 1HD2 ASN 28 1HD2 ASN 28 -13.788 -0.277 -6.369
178 2HD2 ASN 28 2HD2 ASN 28 -14.171 1.330 -6.754
179 H LYS 29 H LYS 29 -8.098 -0.283 -4.633
180 HA LYS 29 HA LYS 29 -9.881 -1.600 -2.612
181 1HB LYS 29 2HB LYS 29 -7.081 -2.241 -3.507
182 2HB LYS 29 1HB LYS 29 -7.628 -2.703 -1.896
183 1HG LYS 29 2HG LYS 29 -9.153 -3.395 -4.417
184 2HG LYS 29 1HG LYS 29 -7.966 -4.472 -3.680
185 1HD LYS 29 2HD LYS 29 -9.923 -3.399 -1.768
186 2HD LYS 29 1HD LYS 29 -10.641 -4.404 -3.027
187 1HE LYS 29 2HE LYS 29 -9.516 -6.301 -2.347
188 2HE LYS 29 1HE LYS 29 -8.137 -5.389 -1.736
189 1HZ LYS 29 1HZ LYS 29 -9.245 -6.169 0.150
190 2HZ LYS 29 2HZ LYS 29 -10.778 -5.784 -0.468
191 3HZ LYS 29 3HZ LYS 29 -9.722 -4.548 0.025
192 H THR 30 H THR 30 -9.957 -0.629 -0.643
193 HA THR 30 HA THR 30 -8.261 1.710 -0.137
194 HB THR 30 HB THR 30 -10.366 0.347 1.574
195 HG1 THR 30 1HG THR 30 -11.636 2.051 0.881
196 1HG2 THR 30 1HG2 THR 30 -10.055 1.955 3.187
197 2HG2 THR 30 2HG2 THR 30 -9.482 3.155 2.028
198 3HG2 THR 30 3HG2 THR 30 -8.403 1.872 2.575
199 H TYR 31 H TYR 31 -6.410 1.686 1.085
200 HA TYR 31 HA TYR 31 -5.744 -0.867 2.473
201 1HB TYR 31 2HB TYR 31 -4.091 1.146 0.981
202 2HB TYR 31 1HB TYR 31 -3.351 0.082 2.171
203 HD1 TYR 31 1HD TYR 31 -4.679 0.355 -1.178
204 HD2 TYR 31 2HD TYR 31 -3.641 -2.438 1.916
205 HE1 TYR 31 1HE TYR 31 -4.668 -1.484 -2.843
206 HE2 TYR 31 2HE TYR 31 -3.631 -4.277 0.252
207 HH TYR 31 HH TYR 31 -4.922 -3.929 -2.879
208 H GLY 32 H GLY 32 -4.202 -0.532 4.341
209 1HA GLY 32 2HA GLY 32 -5.273 1.629 6.052
210 2HA GLY 32 1HA GLY 32 -4.316 0.254 6.604
211 H ASN 33 H ASN 33 -2.422 0.780 4.284
212 HA ASN 33 HA ASN 33 -1.254 3.332 4.433
213 1HB ASN 33 2HB ASN 33 0.649 2.868 6.032
214 2HB ASN 33 1HB ASN 33 -0.926 3.047 6.802
215 1HD2 ASN 33 1HD2 ASN 33 -0.060 1.712 8.621
216 2HD2 ASN 33 2HD2 ASN 33 0.026 0.025 8.456
217 H LYS 34 H LYS 34 1.070 3.289 3.693
218 HA LYS 34 HA LYS 34 1.412 1.667 1.430
219 1HB LYS 34 2HB LYS 34 3.835 2.366 1.574
220 2HB LYS 34 1HB LYS 34 2.682 3.699 1.642
221 1HG LYS 34 2HG LYS 34 2.856 3.759 4.088
222 2HG LYS 34 1HG LYS 34 3.960 2.384 4.058
223 1HD LYS 34 2HD LYS 34 5.694 3.783 3.752
224 2HD LYS 34 1HD LYS 34 4.967 4.348 2.246
225 1HE LYS 34 2HE LYS 34 4.417 5.429 5.026
226 2HE LYS 34 1HE LYS 34 5.297 6.253 3.737
227 1HZ LYS 34 1HZ LYS 34 2.932 5.535 2.587
228 2HZ LYS 34 2HZ LYS 34 3.339 7.085 3.149
229 3HZ LYS 34 3HZ LYS 34 2.478 6.015 4.149
230 H CYS 35 H CYS 35 1.831 0.775 4.731
231 HA CYS 35 HA CYS 35 3.863 -1.252 4.232
232 1HB CYS 35 2HB CYS 35 3.452 -0.213 6.482
233 2HB CYS 35 1HB CYS 35 1.903 -1.053 6.536
234 H ASN 36 H ASN 36 0.338 -1.137 4.438
235 HA ASN 36 HA ASN 36 0.007 -4.006 4.050
236 1HB ASN 36 2HB ASN 36 -1.604 -1.877 4.905
237 2HB ASN 36 1HB ASN 36 -2.285 -2.353 3.354
238 1HD2 ASN 36 1HD2 ASN 36 -0.920 -4.058 6.238
239 2HD2 ASN 36 2HD2 ASN 36 -2.150 -5.224 6.308
240 H PHE 37 H PHE 37 0.583 -1.265 2.076
241 HA PHE 37 HA PHE 37 -0.643 -2.404 -0.336
242 1HB PHE 37 2HB PHE 37 -0.531 0.068 0.053
243 2HB PHE 37 1HB PHE 37 1.227 -0.036 -0.062
244 HD1 PHE 37 1HD PHE 37 2.335 -0.217 -2.154
245 HD2 PHE 37 2HD PHE 37 -1.930 -0.634 -1.943
246 HE1 PHE 37 1HE PHE 37 2.204 -0.136 -4.623
247 HE2 PHE 37 2HE PHE 37 -2.065 -0.545 -4.424
248 HZ PHE 37 HZ PHE 37 0.010 -0.306 -5.762
249 H CYS 38 H CYS 38 2.670 -1.784 0.850
250 HA CYS 38 HA CYS 38 3.998 -2.880 -1.429
251 1HB CYS 38 2HB CYS 38 4.813 -2.488 1.453
252 2HB CYS 38 1HB CYS 38 5.887 -3.279 0.300
253 H ASN 39 H ASN 39 2.547 -4.282 1.433
254 HA ASN 39 HA ASN 39 3.667 -6.938 0.981
255 1HB ASN 39 2HB ASN 39 1.912 -5.652 2.937
256 2HB ASN 39 1HB ASN 39 1.347 -7.263 2.494
257 1HD2 ASN 39 1HD2 ASN 39 2.004 -7.974 4.714
258 2HD2 ASN 39 2HD2 ASN 39 3.639 -8.293 5.039
259 H ALA 40 H ALA 40 0.519 -5.379 0.427
260 HA ALA 40 HA ALA 40 -0.716 -7.628 -0.845
261 1HB ALA 40 1HB ALA 40 -1.173 -4.663 -1.336
262 2HB ALA 40 2HB ALA 40 -2.002 -5.634 -0.120
263 3HB ALA 40 3HB ALA 40 -2.258 -5.960 -1.835
264 H VAL 41 H VAL 41 1.772 -5.466 -1.766
265 HA VAL 41 HA VAL 41 1.503 -5.926 -4.653
266 HB VAL 41 HB VAL 41 3.629 -4.572 -2.962
267 1HG1 VAL 41 1HG1 VAL 41 3.512 -4.205 -5.918
268 2HG1 VAL 41 2HG1 VAL 41 4.201 -5.717 -5.331
269 3HG1 VAL 41 3HG1 VAL 41 4.905 -4.178 -4.837
270 1HG2 VAL 41 1HG2 VAL 41 2.280 -2.951 -4.946
271 2HG2 VAL 41 2HG2 VAL 41 2.368 -2.719 -3.199
272 3HG2 VAL 41 3HG2 VAL 41 1.101 -3.732 -3.892
273 H VAL 42 H VAL 42 3.331 -7.161 -1.901
274 HA VAL 42 HA VAL 42 5.258 -8.663 -3.432
275 HB VAL 42 HB VAL 42 4.175 -8.981 -0.619
276 1HG1 VAL 42 1HG1 VAL 42 5.689 -10.853 -2.251
277 2HG1 VAL 42 2HG1 VAL 42 5.019 -11.074 -0.636
278 3HG1 VAL 42 3HG1 VAL 42 6.612 -10.351 -0.837
279 1HG2 VAL 42 1HG2 VAL 42 7.020 -8.431 -1.027
280 2HG2 VAL 42 2HG2 VAL 42 5.845 -7.568 -0.034
281 3HG2 VAL 42 3HG2 VAL 42 5.993 -7.193 -1.751
282 H GLU 43 H GLU 43 1.924 -9.155 -2.587
283 HA GLU 43 HA GLU 43 2.054 -11.988 -3.497
284 1HB GLU 43 2HB GLU 43 -0.240 -12.160 -2.605
285 2HB GLU 43 1HB GLU 43 0.863 -11.544 -1.376
286 1HG GLU 43 2HG GLU 43 -0.461 -9.743 -1.144
287 2HG GLU 43 1HG GLU 43 -0.081 -9.291 -2.805
288 H SER 44 H SER 44 1.310 -8.869 -4.630
289 HA SER 44 HA SER 44 -0.606 -9.866 -6.664
290 1HB SER 44 2HB SER 44 0.270 -7.168 -5.708
291 2HB SER 44 1HB SER 44 -0.367 -7.312 -7.344
292 HG SER 44 HG SER 44 -1.877 -6.940 -5.465
293 H ASN 45 H ASN 45 2.727 -9.525 -6.295
294 HA ASN 45 HA ASN 45 4.429 -9.969 -7.872
295 1HB ASN 45 2HB ASN 45 2.330 -11.097 -9.096
296 2HB ASN 45 1HB ASN 45 2.564 -9.734 -10.189
297 1HD2 ASN 45 1HD2 ASN 45 3.255 -11.444 -11.804
298 2HD2 ASN 45 2HD2 ASN 45 4.851 -12.022 -11.746
299 H GLY 46 H GLY 46 3.047 -7.261 -7.205
300 1HA GLY 46 2HA GLY 46 3.860 -5.064 -7.626
301 2HA GLY 46 1HA GLY 46 4.767 -5.695 -8.999
302 H THR 47 H THR 47 1.655 -6.875 -9.205
303 HA THR 47 HA THR 47 1.038 -5.079 -11.430
304 HB THR 47 HB THR 47 -0.974 -6.494 -11.690
305 HG1 THR 47 1HG THR 47 -0.791 -8.399 -10.103
306 1HG2 THR 47 1HG2 THR 47 0.543 -7.711 -12.839
307 2HG2 THR 47 2HG2 THR 47 0.604 -8.764 -11.424
308 3HG2 THR 47 3HG2 THR 47 1.782 -7.465 -11.608
309 H LEU 48 H LEU 48 0.717 -4.766 -8.154
310 HA LEU 48 HA LEU 48 -1.898 -3.352 -8.277
311 1HB LEU 48 2HB LEU 48 -1.557 -4.917 -6.407
312 2HB LEU 48 1HB LEU 48 -0.102 -4.042 -5.928
313 HG LEU 48 HG LEU 48 -1.489 -1.996 -5.616
314 1HD1 LEU 48 1HD1 LEU 48 -3.589 -3.888 -6.576
315 2HD1 LEU 48 2HD1 LEU 48 -3.406 -2.163 -6.889
316 3HD1 LEU 48 3HD1 LEU 48 -4.046 -2.715 -5.341
317 1HD2 LEU 48 1HD2 LEU 48 -0.991 -3.751 -3.794
318 2HD2 LEU 48 2HD2 LEU 48 -2.657 -4.283 -4.023
319 3HD2 LEU 48 3HD2 LEU 48 -2.322 -2.637 -3.482
320 H THR 49 H THR 49 -1.932 -1.150 -8.435
321 HA THR 49 HA THR 49 0.598 0.307 -7.782
322 HB THR 49 HB THR 49 0.169 1.816 -9.616
323 HG1 THR 49 1HG THR 49 -1.745 0.956 -10.977
324 1HG2 THR 49 1HG2 THR 49 1.315 0.160 -10.671
325 2HG2 THR 49 2HG2 THR 49 -0.234 -0.157 -11.453
326 3HG2 THR 49 3HG2 THR 49 0.254 -1.102 -10.046
327 H LEU 50 H LEU 50 -0.700 2.846 -8.341
328 HA LEU 50 HA LEU 50 -2.447 3.045 -5.936
329 1HB LEU 50 2HB LEU 50 -0.830 4.386 -5.114
330 2HB LEU 50 1HB LEU 50 0.053 4.307 -6.618
331 HG LEU 50 HG LEU 50 -1.767 6.114 -7.376
332 1HD1 LEU 50 1HD1 LEU 50 -2.679 7.386 -5.670
333 2HD1 LEU 50 2HD1 LEU 50 -1.399 6.961 -4.537
334 3HD1 LEU 50 3HD1 LEU 50 -2.685 5.808 -4.885
335 1HD2 LEU 50 1HD2 LEU 50 0.077 7.599 -5.844
336 2HD2 LEU 50 2HD2 LEU 50 0.226 7.143 -7.542
337 3HD2 LEU 50 3HD2 LEU 50 0.906 6.106 -6.287
338 H SER 51 H SER 51 -4.112 4.589 -6.043
339 HA SER 51 HA SER 51 -4.789 5.580 -8.779
340 1HB SER 51 2HB SER 51 -6.550 4.126 -8.557
341 2HB SER 51 1HB SER 51 -6.397 4.053 -6.805
342 HG SER 51 HG SER 51 -8.296 5.160 -7.509
343 H HIS 52 H HIS 52 -4.667 6.128 -5.334
344 HA HIS 52 HA HIS 52 -4.278 8.881 -5.461
345 1HB HIS 52 2HB HIS 52 -6.282 9.856 -5.806
346 2HB HIS 52 1HB HIS 52 -6.943 8.265 -6.156
347 HD1 HIS 52 1HD HIS 52 -8.517 7.241 -4.435
348 HD2 HIS 52 2HD HIS 52 -6.690 10.727 -3.060
349 HE1 HIS 52 1HE HIS 52 -9.679 7.852 -2.269
350 H PHE 53 H PHE 53 -3.019 8.737 -3.652
351 HA PHE 53 HA PHE 53 -3.276 7.029 -1.478
352 1HB PHE 53 2HB PHE 53 -1.985 9.643 -1.928
353 2HB PHE 53 1HB PHE 53 -2.332 9.282 -0.238
354 HD1 PHE 53 1HD PHE 53 -1.736 6.665 -2.771
355 HD2 PHE 53 2HD PHE 53 -0.014 8.949 0.433
356 HE1 PHE 53 1HE PHE 53 0.210 5.120 -2.718
357 HE2 PHE 53 2HE PHE 53 1.924 7.405 0.492
358 HZ PHE 53 HZ PHE 53 2.034 5.492 -1.082
359 H GLY 54 H GLY 54 -5.352 6.706 -0.734
360 1HA GLY 54 2HA GLY 54 -6.437 8.095 1.371
361 2HA GLY 54 1HA GLY 54 -7.123 8.915 -0.036
362 H LYS 55 H LYS 55 -8.745 7.442 1.785
363 HA LYS 55 HA LYS 55 -9.229 4.761 0.833
364 1HB LYS 55 2HB LYS 55 -10.006 5.430 3.047
365 2HB LYS 55 1HB LYS 55 -11.026 6.685 2.343
366 1HG LYS 55 2HG LYS 55 -12.381 5.009 1.207
367 2HG LYS 55 1HG LYS 55 -11.316 3.722 1.770
368 1HD LYS 55 2HD LYS 55 -12.857 5.571 3.613
369 2HD LYS 55 1HD LYS 55 -13.408 3.963 3.142
370 1HE LYS 55 2HE LYS 55 -10.732 3.642 3.979
371 2HE LYS 55 1HE LYS 55 -11.490 4.694 5.175
372 1HZ LYS 55 1HZ LYS 55 -11.828 1.924 4.804
373 2HZ LYS 55 2HZ LYS 55 -13.321 2.697 4.558
374 3HZ LYS 55 3HZ LYS 55 -12.476 2.916 6.015
375 H CYS 56 H CYS 56 -10.726 4.030 -0.692
376 HA CYS 56 HA CYS 56 -11.817 6.142 -2.496
377 1HB CYS 56 2HB CYS 56 -10.664 3.460 -2.909
378 2HB CYS 56 1HB CYS 56 -12.131 3.764 -3.839
Start of MODEL 9
1 1H ALA 3 1HT ALA 3 -1.045 7.396 -11.250
2 2H ALA 3 2HT ALA 3 -0.287 8.324 -10.046
3 3H ALA 3 3HT ALA 3 -0.291 6.630 -9.939
4 HA ALA 3 HA ALA 3 1.148 6.410 -11.798
5 1HB ALA 3 1HB ALA 3 1.686 8.159 -13.248
6 2HB ALA 3 2HB ALA 3 1.324 9.397 -12.045
7 3HB ALA 3 3HB ALA 3 0.010 8.538 -12.848
8 H VAL 4 H VAL 4 1.275 6.792 -8.882
9 HA VAL 4 HA VAL 4 3.860 8.248 -8.596
10 HB VAL 4 HB VAL 4 2.206 7.104 -6.343
11 1HG1 VAL 4 1HG1 VAL 4 3.957 9.568 -6.416
12 2HG1 VAL 4 2HG1 VAL 4 4.610 7.968 -6.067
13 3HG1 VAL 4 3HG1 VAL 4 3.394 8.675 -5.004
14 1HG2 VAL 4 1HG2 VAL 4 1.459 9.663 -6.289
15 2HG2 VAL 4 2HG2 VAL 4 0.572 8.476 -7.246
16 3HG2 VAL 4 3HG2 VAL 4 1.744 9.537 -8.026
17 H SER 5 H SER 5 2.364 5.080 -8.281
18 HA SER 5 HA SER 5 3.307 2.989 -7.719
19 1HB SER 5 2HB SER 5 5.415 2.542 -8.978
20 2HB SER 5 1HB SER 5 4.179 3.298 -9.980
21 HG SER 5 HG SER 5 6.636 4.200 -9.262
22 H VAL 6 H VAL 6 3.457 3.722 -5.403
23 HA VAL 6 HA VAL 6 5.660 4.931 -4.188
24 HB VAL 6 HB VAL 6 3.993 2.602 -3.192
25 1HG1 VAL 6 1HG1 VAL 6 4.798 3.331 -0.937
26 2HG1 VAL 6 2HG1 VAL 6 5.933 4.419 -1.733
27 3HG1 VAL 6 3HG1 VAL 6 6.085 2.675 -1.949
28 1HG2 VAL 6 1HG2 VAL 6 3.686 5.254 -1.976
29 2HG2 VAL 6 2HG2 VAL 6 2.451 4.154 -2.595
30 3HG2 VAL 6 3HG2 VAL 6 3.298 5.240 -3.697
31 H ASP 7 H ASP 7 7.673 4.162 -3.406
32 HA ASP 7 HA ASP 7 8.846 1.997 -4.966
33 1HB ASP 7 2HB ASP 7 10.242 3.899 -4.433
34 2HB ASP 7 1HB ASP 7 9.927 3.709 -2.709
35 H CYS 8 H CYS 8 7.918 0.031 -4.363
36 HA CYS 8 HA CYS 8 7.990 -0.685 -1.472
37 1HB CYS 8 2HB CYS 8 6.635 -2.084 -3.799
38 2HB CYS 8 1HB CYS 8 6.502 -2.543 -2.101
39 H SER 9 H SER 9 10.417 -0.575 -3.075
40 HA SER 9 HA SER 9 11.150 -3.262 -3.879
41 1HB SER 9 2HB SER 9 12.282 -1.250 -4.780
42 2HB SER 9 1HB SER 9 12.908 -0.890 -3.173
43 HG SER 9 HG SER 9 13.838 -3.076 -3.287
44 H GLU 10 H GLU 10 11.017 -1.578 -0.867
45 HA GLU 10 HA GLU 10 12.918 -3.392 0.463
46 1HB GLU 10 2HB GLU 10 12.045 -2.128 2.538
47 2HB GLU 10 1HB GLU 10 12.950 -1.192 1.349
48 1HG GLU 10 2HG GLU 10 10.084 -1.329 0.752
49 2HG GLU 10 1HG GLU 10 10.431 -0.553 2.297
50 H TYR 11 H TYR 11 10.041 -4.020 -0.740
51 HA TYR 11 HA TYR 11 9.042 -5.457 1.681
52 1HB TYR 11 2HB TYR 11 7.645 -4.441 -0.798
53 2HB TYR 11 1HB TYR 11 6.895 -5.624 0.274
54 HD1 TYR 11 1HD TYR 11 5.797 -4.925 2.239
55 HD2 TYR 11 2HD TYR 11 8.537 -2.268 0.275
56 HE1 TYR 11 1HE TYR 11 5.140 -3.104 3.790
57 HE2 TYR 11 2HE TYR 11 7.881 -0.443 1.824
58 HH TYR 11 HH TYR 11 6.781 -0.571 4.445
59 HA PRO 12 HA PRO 12 7.156 -6.865 1.620
60 1HB PRO 12 2HB PRO 12 7.143 -9.347 2.806
61 2HB PRO 12 1HB PRO 12 6.220 -8.948 1.345
62 1HG PRO 12 2HG PRO 12 8.734 -10.537 1.604
63 2HG PRO 12 1HG PRO 12 7.456 -10.646 0.380
64 1HD PRO 12 2HD PRO 12 9.955 -9.383 0.030
65 2HD PRO 12 1HD PRO 12 8.533 -9.174 -1.016
66 H LYS 13 H LYS 13 7.314 -6.394 3.858
67 HA LYS 13 HA LYS 13 10.076 -6.475 4.930
68 1HB LYS 13 2HB LYS 13 7.882 -5.154 6.456
69 2HB LYS 13 1HB LYS 13 9.532 -4.609 6.163
70 1HG LYS 13 2HG LYS 13 8.243 -4.654 3.631
71 2HG LYS 13 1HG LYS 13 7.133 -3.876 4.757
72 1HD LYS 13 2HD LYS 13 10.025 -3.128 4.262
73 2HD LYS 13 1HD LYS 13 8.604 -2.193 3.798
74 1HE LYS 13 2HE LYS 13 8.414 -1.292 5.855
75 2HE LYS 13 1HE LYS 13 8.569 -2.867 6.633
76 1HZ LYS 13 1HZ LYS 13 10.929 -2.740 6.473
77 2HZ LYS 13 2HZ LYS 13 10.381 -1.294 7.176
78 3HZ LYS 13 3HZ LYS 13 10.856 -1.322 5.545
79 HA PRO 14 HA PRO 14 9.157 -9.470 7.999
80 1HB PRO 14 2HB PRO 14 10.422 -8.456 10.219
81 2HB PRO 14 1HB PRO 14 11.279 -9.163 8.838
82 1HG PRO 14 2HG PRO 14 11.008 -6.297 9.610
83 2HG PRO 14 1HG PRO 14 12.282 -7.090 8.668
84 1HD PRO 14 2HD PRO 14 10.155 -5.535 7.621
85 2HD PRO 14 1HD PRO 14 11.253 -6.574 6.687
86 H ALA 15 H ALA 15 7.933 -6.293 8.428
87 HA ALA 15 HA ALA 15 5.665 -7.244 9.943
88 1HB ALA 15 1HB ALA 15 6.065 -6.357 12.071
89 2HB ALA 15 2HB ALA 15 7.336 -5.281 11.491
90 3HB ALA 15 3HB ALA 15 7.644 -7.012 11.642
91 H CYS 16 H CYS 16 4.491 -5.096 10.882
92 HA CYS 16 HA CYS 16 4.812 -2.957 8.821
93 1HB CYS 16 2HB CYS 16 2.323 -4.378 9.748
94 2HB CYS 16 1HB CYS 16 2.227 -2.728 9.134
95 H THR 17 H THR 17 3.753 -0.873 9.563
96 HA THR 17 HA THR 17 4.371 -0.477 12.440
97 HB THR 17 HB THR 17 3.887 2.017 11.571
98 HG1 THR 17 1HG THR 17 3.308 1.439 9.502
99 1HG2 THR 17 1HG2 THR 17 6.045 0.839 12.425
100 2HG2 THR 17 2HG2 THR 17 6.215 2.292 11.438
101 3HG2 THR 17 3HG2 THR 17 6.454 0.700 10.716
102 H MET 18 H MET 18 2.824 1.336 13.423
103 HA MET 18 HA MET 18 0.119 0.197 13.258
104 1HB MET 18 2HB MET 18 1.651 1.750 15.179
105 2HB MET 18 1HB MET 18 0.047 2.445 14.932
106 1HG MET 18 2HG MET 18 -0.447 -0.286 15.039
107 2HG MET 18 1HG MET 18 0.805 -0.052 16.259
108 1HE MET 18 1HE MET 18 -2.505 -0.829 16.410
109 2HE MET 18 2HE MET 18 -2.724 -0.231 18.053
110 3HE MET 18 3HE MET 18 -1.256 -1.111 17.631
111 H GLU 19 H GLU 19 1.570 2.118 11.199
112 HA GLU 19 HA GLU 19 0.179 4.557 11.034
113 1HB GLU 19 2HB GLU 19 2.075 3.665 9.533
114 2HB GLU 19 1HB GLU 19 0.803 2.870 8.605
115 1HG GLU 19 2HG GLU 19 0.075 4.821 7.696
116 2HG GLU 19 1HG GLU 19 0.262 5.704 9.212
117 H TYR 20 H TYR 20 -1.702 5.141 9.710
118 HA TYR 20 HA TYR 20 -3.556 2.898 9.101
119 1HB TYR 20 2HB TYR 20 -3.937 3.938 11.442
120 2HB TYR 20 1HB TYR 20 -4.524 5.347 10.557
121 HD1 TYR 20 1HD TYR 20 -4.850 1.662 9.936
122 HD2 TYR 20 2HD TYR 20 -6.857 5.392 10.649
123 HE1 TYR 20 1HE TYR 20 -7.041 0.548 9.597
124 HE2 TYR 20 2HE TYR 20 -9.046 4.278 10.310
125 HH TYR 20 HH TYR 20 -9.584 1.706 8.798
126 H ARG 21 H ARG 21 -2.015 4.621 7.405
127 HA ARG 21 HA ARG 21 -3.800 6.672 6.338
128 1HB ARG 21 2HB ARG 21 -1.096 5.592 5.615
129 2HB ARG 21 1HB ARG 21 -1.988 6.537 4.421
130 1HG ARG 21 2HG ARG 21 -1.611 7.523 7.250
131 2HG ARG 21 1HG ARG 21 -0.408 7.834 5.996
132 1HD ARG 21 2HD ARG 21 -3.203 8.413 5.222
133 2HD ARG 21 1HD ARG 21 -2.543 9.458 6.480
134 HE ARG 21 HE ARG 21 -0.559 9.391 4.533
135 1HH1 ARG 21 1HH1 ARG 21 -3.784 9.305 3.663
136 2HH1 ARG 21 2HH1 ARG 21 -3.792 10.826 2.833
137 1HH2 ARG 21 1HH2 ARG 21 -0.611 11.720 3.894
138 2HH2 ARG 21 2HH2 ARG 21 -1.995 12.194 2.966
139 HA PRO 22 HA PRO 22 -5.924 3.691 3.798
140 1HB PRO 22 2HB PRO 22 -7.628 5.503 2.630
141 2HB PRO 22 1HB PRO 22 -7.858 4.857 4.264
142 1HG PRO 22 2HG PRO 22 -6.912 7.558 3.433
143 2HG PRO 22 1HG PRO 22 -7.732 7.066 4.923
144 1HD PRO 22 2HD PRO 22 -4.958 7.565 4.639
145 2HD PRO 22 1HD PRO 22 -5.743 6.774 6.023
146 H LEU 23 H LEU 23 -4.871 2.951 1.989
147 HA LEU 23 HA LEU 23 -4.144 4.943 -0.121
148 1HB LEU 23 2HB LEU 23 -2.777 2.444 0.850
149 2HB LEU 23 1HB LEU 23 -2.500 3.027 -0.795
150 HG LEU 23 HG LEU 23 -2.346 5.225 1.078
151 1HD1 LEU 23 1HD1 LEU 23 -0.018 4.167 1.921
152 2HD1 LEU 23 2HD1 LEU 23 -0.972 2.688 1.811
153 3HD1 LEU 23 3HD1 LEU 23 -1.514 4.012 2.842
154 1HD2 LEU 23 1HD2 LEU 23 -1.313 5.446 -1.040
155 2HD2 LEU 23 2HD2 LEU 23 -0.530 3.870 -0.919
156 3HD2 LEU 23 3HD2 LEU 23 0.042 5.216 0.064
157 H CYS 24 H CYS 24 -5.471 4.743 -1.885
158 HA CYS 24 HA CYS 24 -6.881 2.171 -2.285
159 1HB CYS 24 2HB CYS 24 -7.429 4.936 -2.935
160 2HB CYS 24 1HB CYS 24 -7.539 3.938 -4.383
161 H GLY 25 H GLY 25 -5.316 0.775 -3.136
162 1HA GLY 25 2HA GLY 25 -3.351 1.458 -5.062
163 2HA GLY 25 1HA GLY 25 -3.952 -0.175 -4.783
164 H SER 26 H SER 26 -3.325 0.892 -7.370
165 HA SER 26 HA SER 26 -5.406 1.949 -8.890
166 1HB SER 26 2HB SER 26 -3.439 1.612 -10.090
167 2HB SER 26 1HB SER 26 -3.237 -0.033 -9.491
168 HG SER 26 HG SER 26 -4.897 -0.694 -10.821
169 H ASP 27 H ASP 27 -5.342 -1.124 -7.308
170 HA ASP 27 HA ASP 27 -7.423 -2.304 -9.016
171 1HB ASP 27 2HB ASP 27 -7.280 -4.215 -7.542
172 2HB ASP 27 1HB ASP 27 -5.637 -3.663 -7.866
173 H ASN 28 H ASN 28 -7.848 0.251 -7.409
174 HA ASN 28 HA ASN 28 -9.527 1.215 -6.090
175 1HB ASN 28 2HB ASN 28 -10.718 -0.335 -8.031
176 2HB ASN 28 1HB ASN 28 -11.452 -0.964 -6.555
177 1HD2 ASN 28 1HD2 ASN 28 -13.351 0.258 -7.887
178 2HD2 ASN 28 2HD2 ASN 28 -13.621 1.860 -7.394
179 H LYS 29 H LYS 29 -7.717 -0.413 -4.664
180 HA LYS 29 HA LYS 29 -9.553 -1.655 -2.647
181 1HB LYS 29 2HB LYS 29 -8.068 -3.285 -3.850
182 2HB LYS 29 1HB LYS 29 -6.673 -2.424 -3.196
183 1HG LYS 29 2HG LYS 29 -6.895 -3.966 -1.519
184 2HG LYS 29 1HG LYS 29 -8.062 -2.787 -0.919
185 1HD LYS 29 2HD LYS 29 -9.868 -4.006 -2.132
186 2HD LYS 29 1HD LYS 29 -8.687 -5.226 -2.609
187 1HE LYS 29 2HE LYS 29 -8.678 -4.640 0.273
188 2HE LYS 29 1HE LYS 29 -10.199 -5.317 -0.308
189 1HZ LYS 29 1HZ LYS 29 -9.214 -7.285 -0.287
190 2HZ LYS 29 2HZ LYS 29 -7.701 -6.600 0.070
191 3HZ LYS 29 3HZ LYS 29 -8.205 -6.762 -1.545
192 H THR 30 H THR 30 -9.531 -0.606 -0.701
193 HA THR 30 HA THR 30 -7.568 1.514 -0.228
194 HB THR 30 HB THR 30 -9.664 0.419 1.669
195 HG1 THR 30 1HG THR 30 -10.053 1.567 -0.615
196 1HG2 THR 30 1HG2 THR 30 -8.061 2.984 1.552
197 2HG2 THR 30 2HG2 THR 30 -8.029 1.759 2.820
198 3HG2 THR 30 3HG2 THR 30 -9.463 2.761 2.600
199 H TYR 31 H TYR 31 -5.970 1.511 1.427
200 HA TYR 31 HA TYR 31 -5.398 -1.167 2.611
201 1HB TYR 31 2HB TYR 31 -3.611 0.825 1.251
202 2HB TYR 31 1HB TYR 31 -2.957 -0.276 2.459
203 HD1 TYR 31 1HD TYR 31 -3.714 0.106 -0.961
204 HD2 TYR 31 2HD TYR 31 -3.731 -2.810 2.192
205 HE1 TYR 31 1HE TYR 31 -3.710 -1.713 -2.645
206 HE2 TYR 31 2HE TYR 31 -3.724 -4.630 0.507
207 HH TYR 31 HH TYR 31 -4.545 -4.783 -2.028
208 H GLY 32 H GLY 32 -3.998 -1.003 4.583
209 1HA GLY 32 2HA GLY 32 -5.076 1.070 6.358
210 2HA GLY 32 1HA GLY 32 -4.058 -0.285 6.845
211 H ASN 33 H ASN 33 -2.181 0.482 4.549
212 HA ASN 33 HA ASN 33 -1.143 3.076 4.917
213 1HB ASN 33 2HB ASN 33 0.844 2.477 6.411
214 2HB ASN 33 1HB ASN 33 -0.715 2.634 7.222
215 1HD2 ASN 33 1HD2 ASN 33 0.085 1.146 8.932
216 2HD2 ASN 33 2HD2 ASN 33 0.154 -0.525 8.639
217 H LYS 34 H LYS 34 1.284 3.119 4.296
218 HA LYS 34 HA LYS 34 1.631 1.857 1.802
219 1HB LYS 34 2HB LYS 34 2.941 3.801 2.318
220 2HB LYS 34 1HB LYS 34 3.663 3.013 3.723
221 1HG LYS 34 2HG LYS 34 4.996 1.600 2.406
222 2HG LYS 34 1HG LYS 34 3.970 1.798 0.986
223 1HD LYS 34 2HD LYS 34 5.930 3.094 0.554
224 2HD LYS 34 1HD LYS 34 4.671 4.252 0.985
225 1HE LYS 34 2HE LYS 34 6.122 5.035 2.533
226 2HE LYS 34 1HE LYS 34 5.772 3.564 3.440
227 1HZ LYS 34 1HZ LYS 34 8.104 3.688 3.182
228 2HZ LYS 34 2HZ LYS 34 7.984 4.024 1.521
229 3HZ LYS 34 3HZ LYS 34 7.572 2.486 2.112
230 H CYS 35 H CYS 35 1.980 0.468 4.936
231 HA CYS 35 HA CYS 35 3.954 -1.526 4.115
232 1HB CYS 35 2HB CYS 35 3.542 -0.683 6.500
233 2HB CYS 35 1HB CYS 35 2.094 -1.686 6.484
234 H ASN 36 H ASN 36 0.441 -1.327 4.493
235 HA ASN 36 HA ASN 36 0.039 -4.119 3.705
236 1HB ASN 36 2HB ASN 36 -1.484 -2.215 5.048
237 2HB ASN 36 1HB ASN 36 -2.261 -2.318 3.470
238 1HD2 ASN 36 1HD2 ASN 36 -0.971 -4.509 6.033
239 2HD2 ASN 36 2HD2 ASN 36 -2.167 -5.695 5.826
240 H PHE 37 H PHE 37 0.482 -1.071 2.201
241 HA PHE 37 HA PHE 37 -0.884 -1.730 -0.303
242 1HB PHE 37 2HB PHE 37 -0.705 0.609 0.412
243 2HB PHE 37 1HB PHE 37 1.053 0.485 0.449
244 HD1 PHE 37 1HD PHE 37 2.348 0.787 -1.510
245 HD2 PHE 37 2HD PHE 37 -1.906 0.280 -1.812
246 HE1 PHE 37 1HE PHE 37 2.448 1.388 -3.913
247 HE2 PHE 37 2HE PHE 37 -1.805 0.879 -4.216
248 HZ PHE 37 HZ PHE 37 0.372 1.435 -5.266
249 H CYS 38 H CYS 38 2.480 -1.533 0.851
250 HA CYS 38 HA CYS 38 3.570 -2.416 -1.700
251 1HB CYS 38 2HB CYS 38 4.756 -2.097 1.067
252 2HB CYS 38 1HB CYS 38 5.690 -2.678 -0.310
253 H ASN 39 H ASN 39 2.537 -3.940 1.292
254 HA ASN 39 HA ASN 39 3.763 -6.507 0.676
255 1HB ASN 39 2HB ASN 39 1.973 -5.416 2.773
256 2HB ASN 39 1HB ASN 39 1.774 -7.134 2.426
257 1HD2 ASN 39 1HD2 ASN 39 3.015 -5.837 4.852
258 2HD2 ASN 39 2HD2 ASN 39 4.585 -6.474 4.943
259 H ALA 40 H ALA 40 0.514 -5.111 0.350
260 HA ALA 40 HA ALA 40 -0.741 -7.446 -0.718
261 1HB ALA 40 1HB ALA 40 -1.893 -5.298 -2.076
262 2HB ALA 40 2HB ALA 40 -1.339 -4.582 -0.564
263 3HB ALA 40 3HB ALA 40 -2.447 -5.954 -0.535
264 H VAL 41 H VAL 41 1.361 -4.997 -2.029
265 HA VAL 41 HA VAL 41 1.045 -5.744 -4.816
266 HB VAL 41 HB VAL 41 3.193 -4.208 -3.324
267 1HG1 VAL 41 1HG1 VAL 41 4.031 -3.554 -5.552
268 2HG1 VAL 41 2HG1 VAL 41 2.851 -4.622 -6.311
269 3HG1 VAL 41 3HG1 VAL 41 4.147 -5.298 -5.325
270 1HG2 VAL 41 1HG2 VAL 41 1.947 -2.359 -3.761
271 2HG2 VAL 41 2HG2 VAL 41 0.622 -3.489 -4.039
272 3HG2 VAL 41 3HG2 VAL 41 1.574 -2.895 -5.400
273 H VAL 42 H VAL 42 3.078 -6.756 -2.128
274 HA VAL 42 HA VAL 42 4.975 -8.262 -3.693
275 HB VAL 42 HB VAL 42 4.088 -8.425 -0.802
276 1HG1 VAL 42 1HG1 VAL 42 6.501 -9.762 -0.979
277 2HG1 VAL 42 2HG1 VAL 42 5.640 -10.326 -2.411
278 3HG1 VAL 42 3HG1 VAL 42 4.922 -10.529 -0.814
279 1HG2 VAL 42 1HG2 VAL 42 6.071 -6.930 -2.330
280 2HG2 VAL 42 2HG2 VAL 42 6.817 -7.846 -1.021
281 3HG2 VAL 42 3HG2 VAL 42 5.532 -6.689 -0.669
282 H GLU 43 H GLU 43 1.819 -8.961 -2.290
283 HA GLU 43 HA GLU 43 1.958 -11.801 -3.034
284 1HB GLU 43 2HB GLU 43 -0.392 -10.140 -2.067
285 2HB GLU 43 1HB GLU 43 -0.348 -11.899 -2.186
286 1HG GLU 43 2HG GLU 43 1.762 -10.476 -0.590
287 2HG GLU 43 1HG GLU 43 0.168 -10.744 0.120
288 H SER 44 H SER 44 1.188 -8.861 -4.570
289 HA SER 44 HA SER 44 -0.675 -10.086 -6.505
290 1HB SER 44 2HB SER 44 -0.720 -7.629 -5.592
291 2HB SER 44 1HB SER 44 0.536 -7.346 -6.796
292 HG SER 44 HG SER 44 -2.103 -8.310 -7.189
293 H ASN 45 H ASN 45 2.615 -10.090 -6.085
294 HA ASN 45 HA ASN 45 4.299 -10.860 -7.544
295 1HB ASN 45 2HB ASN 45 2.270 -11.993 -8.700
296 2HB ASN 45 1HB ASN 45 2.351 -10.647 -9.837
297 1HD2 ASN 45 1HD2 ASN 45 4.980 -12.516 -8.218
298 2HD2 ASN 45 2HD2 ASN 45 5.747 -12.966 -9.662
299 H GLY 46 H GLY 46 2.883 -7.940 -7.435
300 1HA GLY 46 2HA GLY 46 4.122 -5.911 -7.918
301 2HA GLY 46 1HA GLY 46 4.947 -6.762 -9.225
302 H THR 47 H THR 47 1.546 -7.267 -8.995
303 HA THR 47 HA THR 47 1.189 -5.622 -11.453
304 HB THR 47 HB THR 47 -0.731 -6.988 -11.930
305 HG1 THR 47 1HG THR 47 -0.504 -8.577 -9.692
306 1HG2 THR 47 1HG2 THR 47 1.176 -8.985 -10.741
307 2HG2 THR 47 2HG2 THR 47 1.688 -7.967 -12.087
308 3HG2 THR 47 3HG2 THR 47 0.313 -9.053 -12.278
309 H LEU 48 H LEU 48 0.895 -5.145 -8.252
310 HA LEU 48 HA LEU 48 -1.693 -3.674 -8.478
311 1HB LEU 48 2HB LEU 48 -1.398 -5.369 -6.618
312 2HB LEU 48 1HB LEU 48 -0.150 -4.316 -5.952
313 HG LEU 48 HG LEU 48 -2.766 -3.061 -6.635
314 1HD1 LEU 48 1HD1 LEU 48 -2.351 -5.154 -4.537
315 2HD1 LEU 48 2HD1 LEU 48 -3.791 -4.789 -5.487
316 3HD1 LEU 48 3HD1 LEU 48 -3.346 -3.755 -4.129
317 1HD2 LEU 48 1HD2 LEU 48 -2.010 -1.453 -5.212
318 2HD2 LEU 48 2HD2 LEU 48 -0.445 -2.241 -5.415
319 3HD2 LEU 48 3HD2 LEU 48 -1.459 -2.635 -4.026
320 H THR 49 H THR 49 -1.659 -1.463 -8.410
321 HA THR 49 HA THR 49 0.924 -0.155 -7.650
322 HB THR 49 HB THR 49 0.875 1.208 -9.513
323 HG1 THR 49 1HG THR 49 -1.030 1.816 -10.515
324 1HG2 THR 49 1HG2 THR 49 0.346 -0.107 -11.466
325 2HG2 THR 49 2HG2 THR 49 -0.785 -1.103 -10.549
326 3HG2 THR 49 3HG2 THR 49 0.946 -1.209 -10.226
327 H LEU 50 H LEU 50 -0.189 2.468 -8.074
328 HA LEU 50 HA LEU 50 -2.173 2.598 -5.839
329 1HB LEU 50 2HB LEU 50 0.061 3.393 -5.120
330 2HB LEU 50 1HB LEU 50 0.055 4.566 -6.438
331 HG LEU 50 HG LEU 50 -2.351 5.101 -5.284
332 1HD1 LEU 50 1HD1 LEU 50 -2.033 3.544 -3.443
333 2HD1 LEU 50 2HD1 LEU 50 -1.904 5.186 -2.815
334 3HD1 LEU 50 3HD1 LEU 50 -0.448 4.231 -3.088
335 1HD2 LEU 50 1HD2 LEU 50 -0.223 6.515 -3.894
336 2HD2 LEU 50 2HD2 LEU 50 -1.364 7.123 -5.091
337 3HD2 LEU 50 3HD2 LEU 50 0.134 6.350 -5.612
338 H SER 51 H SER 51 -3.891 4.013 -6.161
339 HA SER 51 HA SER 51 -3.970 5.363 -8.824
340 1HB SER 51 2HB SER 51 -6.574 5.284 -8.109
341 2HB SER 51 1HB SER 51 -5.794 3.989 -9.014
342 HG SER 51 HG SER 51 -6.075 2.748 -7.352
343 H HIS 52 H HIS 52 -4.418 5.717 -5.357
344 HA HIS 52 HA HIS 52 -3.951 8.507 -5.412
345 1HB HIS 52 2HB HIS 52 -6.200 9.401 -4.958
346 2HB HIS 52 1HB HIS 52 -6.150 8.621 -6.538
347 HD1 HIS 52 1HD HIS 52 -7.655 8.323 -3.139
348 HD2 HIS 52 2HD HIS 52 -7.522 6.096 -6.661
349 HE1 HIS 52 1HE HIS 52 -9.426 6.526 -2.917
350 H PHE 53 H PHE 53 -2.889 8.446 -3.515
351 HA PHE 53 HA PHE 53 -3.184 6.798 -1.322
352 1HB PHE 53 2HB PHE 53 -2.588 9.773 -1.266
353 2HB PHE 53 1HB PHE 53 -2.239 8.640 0.032
354 HD1 PHE 53 1HD PHE 53 -1.329 9.695 -3.384
355 HD2 PHE 53 2HD PHE 53 -0.422 7.036 -0.135
356 HE1 PHE 53 1HE PHE 53 0.845 9.138 -4.445
357 HE2 PHE 53 2HE PHE 53 1.748 6.475 -1.198
358 HZ PHE 53 HZ PHE 53 2.383 7.529 -3.351
359 H GLY 54 H GLY 54 -5.297 6.291 -0.666
360 1HA GLY 54 2HA GLY 54 -6.656 7.599 1.274
361 2HA GLY 54 1HA GLY 54 -7.225 8.460 -0.157
362 H LYS 55 H LYS 55 -8.742 6.678 1.684
363 HA LYS 55 HA LYS 55 -9.237 4.161 0.371
364 1HB LYS 55 2HB LYS 55 -9.897 4.638 2.726
365 2HB LYS 55 1HB LYS 55 -11.090 5.796 2.141
366 1HG LYS 55 2HG LYS 55 -11.582 3.453 0.674
367 2HG LYS 55 1HG LYS 55 -11.289 2.905 2.323
368 1HD LYS 55 2HD LYS 55 -13.288 5.009 1.448
369 2HD LYS 55 1HD LYS 55 -13.657 3.401 2.073
370 1HE LYS 55 2HE LYS 55 -12.247 5.612 3.595
371 2HE LYS 55 1HE LYS 55 -13.907 5.081 3.849
372 1HZ LYS 55 1HZ LYS 55 -11.520 3.340 4.135
373 2HZ LYS 55 2HZ LYS 55 -13.127 2.923 4.492
374 3HZ LYS 55 3HZ LYS 55 -12.322 4.090 5.427
375 H CYS 56 H CYS 56 -10.979 3.619 -1.062
376 HA CYS 56 HA CYS 56 -11.733 5.823 -2.847
377 1HB CYS 56 2HB CYS 56 -12.245 2.838 -2.923
378 2HB CYS 56 1HB CYS 56 -12.830 3.956 -4.157
Start of MODEL 10
1 1H ALA 3 1HT ALA 3 8.408 -0.442 -7.622
2 2H ALA 3 2HT ALA 3 7.601 0.820 -8.423
3 3H ALA 3 3HT ALA 3 8.008 -0.600 -9.264
4 HA ALA 3 HA ALA 3 6.162 -1.628 -8.642
5 1HB ALA 3 1HB ALA 3 5.463 -1.510 -6.165
6 2HB ALA 3 2HB ALA 3 6.957 -0.609 -5.912
7 3HB ALA 3 3HB ALA 3 7.018 -2.263 -6.519
8 H VAL 4 H VAL 4 5.773 1.030 -6.309
9 HA VAL 4 HA VAL 4 3.783 2.267 -8.146
10 HB VAL 4 HB VAL 4 2.691 2.594 -5.593
11 1HG1 VAL 4 1HG1 VAL 4 1.054 2.279 -7.129
12 2HG1 VAL 4 2HG1 VAL 4 1.218 0.570 -6.721
13 3HG1 VAL 4 3HG1 VAL 4 2.064 1.228 -8.122
14 1HG2 VAL 4 1HG2 VAL 4 2.455 0.312 -4.725
15 2HG2 VAL 4 2HG2 VAL 4 4.160 0.753 -4.788
16 3HG2 VAL 4 3HG2 VAL 4 3.477 -0.308 -6.021
17 H SER 5 H SER 5 2.890 4.254 -6.428
18 HA SER 5 HA SER 5 5.307 5.945 -6.266
19 1HB SER 5 2HB SER 5 2.931 6.578 -7.224
20 2HB SER 5 1HB SER 5 2.545 6.873 -5.530
21 HG SER 5 HG SER 5 4.234 8.233 -7.258
22 H VAL 6 H VAL 6 4.890 3.759 -4.330
23 HA VAL 6 HA VAL 6 4.519 5.340 -1.821
24 HB VAL 6 HB VAL 6 2.954 3.533 -1.866
25 1HG1 VAL 6 1HG1 VAL 6 5.310 1.949 -2.892
26 2HG1 VAL 6 2HG1 VAL 6 3.732 2.177 -3.646
27 3HG1 VAL 6 3HG1 VAL 6 3.888 1.152 -2.219
28 1HG2 VAL 6 1HG2 VAL 6 4.253 3.774 0.261
29 2HG2 VAL 6 2HG2 VAL 6 5.375 2.545 -0.323
30 3HG2 VAL 6 3HG2 VAL 6 3.692 2.125 -0.011
31 H ASP 7 H ASP 7 5.982 4.546 0.012
32 HA ASP 7 HA ASP 7 8.730 4.294 -1.057
33 1HB ASP 7 2HB ASP 7 7.686 5.781 0.999
34 2HB ASP 7 1HB ASP 7 8.368 4.407 1.862
35 H CYS 8 H CYS 8 8.208 1.980 -1.693
36 HA CYS 8 HA CYS 8 8.014 0.080 0.554
37 1HB CYS 8 2HB CYS 8 8.393 -0.479 -2.405
38 2HB CYS 8 1HB CYS 8 7.912 -1.640 -1.167
39 H SER 9 H SER 9 10.217 1.379 1.101
40 HA SER 9 HA SER 9 12.665 1.099 -0.025
41 1HB SER 9 2HB SER 9 12.152 0.273 2.843
42 2HB SER 9 1HB SER 9 13.656 0.906 2.181
43 HG SER 9 HG SER 9 12.367 2.803 1.599
44 H GLU 10 H GLU 10 11.828 -1.489 2.296
45 HA GLU 10 HA GLU 10 12.820 -3.456 0.283
46 1HB GLU 10 2HB GLU 10 13.888 -4.655 2.292
47 2HB GLU 10 1HB GLU 10 14.697 -3.196 1.717
48 1HG GLU 10 2HG GLU 10 14.318 -2.109 3.659
49 2HG GLU 10 1HG GLU 10 12.622 -2.601 3.684
50 H TYR 11 H TYR 11 10.454 -3.801 0.035
51 HA TYR 11 HA TYR 11 9.157 -5.164 2.336
52 1HB TYR 11 2HB TYR 11 8.214 -3.825 -0.151
53 2HB TYR 11 1HB TYR 11 7.257 -5.195 0.413
54 HD1 TYR 11 1HD TYR 11 5.743 -4.936 2.210
55 HD2 TYR 11 2HD TYR 11 8.812 -1.998 1.570
56 HE1 TYR 11 1HE TYR 11 4.743 -3.506 3.972
57 HE2 TYR 11 2HE TYR 11 7.811 -0.567 3.329
58 HH TYR 11 HH TYR 11 6.356 -0.903 5.360
59 HA PRO 12 HA PRO 12 7.020 -6.242 1.906
60 1HB PRO 12 2HB PRO 12 6.273 -8.662 2.973
61 2HB PRO 12 1HB PRO 12 5.783 -8.108 1.363
62 1HG PRO 12 2HG PRO 12 7.810 -10.165 2.101
63 2HG PRO 12 1HG PRO 12 6.855 -10.015 0.617
64 1HD PRO 12 2HD PRO 12 9.570 -9.271 0.927
65 2HD PRO 12 1HD PRO 12 8.517 -8.838 -0.435
66 H LYS 13 H LYS 13 6.423 -6.633 4.348
67 HA LYS 13 HA LYS 13 8.969 -6.906 5.897
68 1HB LYS 13 2HB LYS 13 6.637 -5.014 6.200
69 2HB LYS 13 1HB LYS 13 7.724 -5.346 7.547
70 1HG LYS 13 2HG LYS 13 9.637 -4.574 6.276
71 2HG LYS 13 1HG LYS 13 8.652 -4.402 4.821
72 1HD LYS 13 2HD LYS 13 7.826 -2.400 5.482
73 2HD LYS 13 1HD LYS 13 7.569 -2.957 7.135
74 1HE LYS 13 2HE LYS 13 9.344 -1.702 7.730
75 2HE LYS 13 1HE LYS 13 10.351 -2.858 6.859
76 1HZ LYS 13 1HZ LYS 13 9.964 -1.551 4.830
77 2HZ LYS 13 2HZ LYS 13 10.760 -0.655 6.035
78 3HZ LYS 13 3HZ LYS 13 9.106 -0.406 5.739
79 HA PRO 14 HA PRO 14 6.972 -9.945 8.345
80 1HB PRO 14 2HB PRO 14 8.166 -9.489 10.779
81 2HB PRO 14 1HB PRO 14 8.989 -10.260 9.413
82 1HG PRO 14 2HG PRO 14 9.308 -7.493 10.479
83 2HG PRO 14 1HG PRO 14 10.472 -8.498 9.599
84 1HD PRO 14 2HD PRO 14 8.955 -6.380 8.498
85 2HD PRO 14 1HD PRO 14 9.852 -7.607 7.579
86 H ALA 15 H ALA 15 6.587 -6.604 9.121
87 HA ALA 15 HA ALA 15 4.011 -7.181 10.410
88 1HB ALA 15 1HB ALA 15 6.404 -6.419 11.939
89 2HB ALA 15 2HB ALA 15 4.880 -7.107 12.502
90 3HB ALA 15 3HB ALA 15 5.016 -5.370 12.231
91 H CYS 16 H CYS 16 3.068 -4.887 11.154
92 HA CYS 16 HA CYS 16 3.757 -2.951 8.980
93 1HB CYS 16 2HB CYS 16 1.079 -3.621 10.223
94 2HB CYS 16 1HB CYS 16 1.339 -2.209 9.201
95 H THR 17 H THR 17 2.984 -0.655 9.616
96 HA THR 17 HA THR 17 3.978 -0.145 12.375
97 HB THR 17 HB THR 17 4.300 2.182 11.560
98 HG1 THR 17 1HG THR 17 2.771 1.196 9.535
99 1HG2 THR 17 1HG2 THR 17 6.308 1.631 10.648
100 2HG2 THR 17 2HG2 THR 17 5.572 0.628 9.398
101 3HG2 THR 17 3HG2 THR 17 5.819 -0.023 11.018
102 H MET 18 H MET 18 2.906 1.856 13.426
103 HA MET 18 HA MET 18 -0.012 1.403 13.394
104 1HB MET 18 2HB MET 18 1.966 2.465 15.288
105 2HB MET 18 1HB MET 18 0.474 3.405 15.237
106 1HG MET 18 2HG MET 18 -0.177 0.605 15.178
107 2HG MET 18 1HG MET 18 0.906 0.918 16.535
108 1HE MET 18 1HE MET 18 -3.182 0.907 17.230
109 2HE MET 18 2HE MET 18 -1.834 -0.186 16.930
110 3HE MET 18 3HE MET 18 -2.621 0.622 15.577
111 H GLU 19 H GLU 19 1.781 3.031 11.374
112 HA GLU 19 HA GLU 19 0.710 5.731 11.552
113 1HB GLU 19 2HB GLU 19 2.798 5.525 10.425
114 2HB GLU 19 1HB GLU 19 2.212 4.201 9.419
115 1HG GLU 19 2HG GLU 19 0.766 5.674 8.182
116 2HG GLU 19 1HG GLU 19 1.061 6.999 9.308
117 H TYR 20 H TYR 20 -1.400 6.163 11.121
118 HA TYR 20 HA TYR 20 -3.017 4.291 9.555
119 1HB TYR 20 2HB TYR 20 -3.636 5.946 11.590
120 2HB TYR 20 1HB TYR 20 -4.077 6.982 10.235
121 HD1 TYR 20 1HD TYR 20 -4.952 4.983 8.231
122 HD2 TYR 20 2HD TYR 20 -5.709 5.202 12.453
123 HE1 TYR 20 1HE TYR 20 -7.050 3.697 7.922
124 HE2 TYR 20 2HE TYR 20 -7.805 3.915 12.144
125 HH TYR 20 HH TYR 20 -8.788 2.358 10.544
126 H ARG 21 H ARG 21 -2.973 4.348 7.391
127 HA ARG 21 HA ARG 21 -3.156 6.932 5.983
128 1HB ARG 21 2HB ARG 21 -0.653 5.895 6.360
129 2HB ARG 21 1HB ARG 21 -1.100 5.161 4.819
130 1HG ARG 21 2HG ARG 21 -0.583 7.110 3.818
131 2HG ARG 21 1HG ARG 21 -1.955 7.839 4.652
132 1HD ARG 21 2HD ARG 21 -0.635 8.852 6.219
133 2HD ARG 21 1HD ARG 21 0.505 7.507 6.275
134 HE ARG 21 HE ARG 21 0.803 8.771 3.755
135 1HH1 ARG 21 1HH2 ARG 21 2.900 8.271 5.965
136 2HH1 ARG 21 2HH2 ARG 21 3.447 9.889 6.251
137 1HH2 ARG 21 1HH1 ARG 21 0.774 11.366 4.608
138 2HH2 ARG 21 2HH1 ARG 21 2.244 11.640 5.482
139 HA PRO 22 HA PRO 22 -5.703 3.851 3.890
140 1HB PRO 22 2HB PRO 22 -7.428 5.711 2.830
141 2HB PRO 22 1HB PRO 22 -7.570 5.067 4.473
142 1HG PRO 22 2HG PRO 22 -6.603 7.744 3.582
143 2HG PRO 22 1HG PRO 22 -7.344 7.273 5.121
144 1HD PRO 22 2HD PRO 22 -4.581 7.698 4.671
145 2HD PRO 22 1HD PRO 22 -5.300 6.912 6.094
146 H LEU 23 H LEU 23 -4.809 3.060 2.017
147 HA LEU 23 HA LEU 23 -4.120 5.025 -0.140
148 1HB LEU 23 2HB LEU 23 -2.959 2.254 0.281
149 2HB LEU 23 1HB LEU 23 -2.440 3.438 -0.913
150 HG LEU 23 HG LEU 23 -2.290 3.767 2.098
151 1HD1 LEU 23 1HD1 LEU 23 0.247 3.975 1.205
152 2HD1 LEU 23 2HD1 LEU 23 -0.395 2.870 -0.012
153 3HD1 LEU 23 3HD1 LEU 23 -0.463 2.439 1.697
154 1HD2 LEU 23 1HD2 LEU 23 -0.706 5.678 0.767
155 2HD2 LEU 23 2HD2 LEU 23 -2.206 5.977 1.645
156 3HD2 LEU 23 3HD2 LEU 23 -2.247 5.672 -0.092
157 H CYS 24 H CYS 24 -5.296 4.836 -2.003
158 HA CYS 24 HA CYS 24 -7.200 2.589 -2.230
159 1HB CYS 24 2HB CYS 24 -7.800 5.020 -2.742
160 2HB CYS 24 1HB CYS 24 -6.810 4.864 -4.189
161 H GLY 25 H GLY 25 -5.730 0.835 -2.779
162 1HA GLY 25 2HA GLY 25 -3.673 0.825 -4.650
163 2HA GLY 25 1HA GLY 25 -4.752 -0.555 -4.423
164 H SER 26 H SER 26 -3.571 0.623 -6.951
165 HA SER 26 HA SER 26 -5.455 2.048 -8.474
166 1HB SER 26 2HB SER 26 -3.509 1.764 -9.661
167 2HB SER 26 1HB SER 26 -3.277 0.119 -9.077
168 HG SER 26 HG SER 26 -4.411 -0.614 -10.703
169 H ASP 27 H ASP 27 -5.731 -1.172 -7.256
170 HA ASP 27 HA ASP 27 -7.709 -1.952 -9.301
171 1HB ASP 27 2HB ASP 27 -7.718 -4.093 -8.282
172 2HB ASP 27 1HB ASP 27 -6.042 -3.556 -8.195
173 H ASN 28 H ASN 28 -8.122 0.320 -7.324
174 HA ASN 28 HA ASN 28 -9.967 1.216 -6.182
175 1HB ASN 28 2HB ASN 28 -11.086 -0.142 -8.167
176 2HB ASN 28 1HB ASN 28 -11.617 -1.192 -6.852
177 1HD2 ASN 28 1HD2 ASN 28 -11.650 1.209 -4.955
178 2HD2 ASN 28 2HD2 ASN 28 -13.072 2.042 -5.352
179 H LYS 29 H LYS 29 -8.091 -0.523 -4.781
180 HA LYS 29 HA LYS 29 -9.931 -1.794 -2.791
181 1HB LYS 29 2HB LYS 29 -7.123 -2.408 -3.654
182 2HB LYS 29 1HB LYS 29 -7.652 -2.855 -2.034
183 1HG LYS 29 2HG LYS 29 -9.174 -3.605 -4.542
184 2HG LYS 29 1HG LYS 29 -7.981 -4.658 -3.779
185 1HD LYS 29 2HD LYS 29 -9.328 -5.111 -1.976
186 2HD LYS 29 1HD LYS 29 -10.081 -3.516 -2.005
187 1HE LYS 29 2HE LYS 29 -11.845 -4.386 -3.094
188 2HE LYS 29 1HE LYS 29 -10.785 -4.826 -4.432
189 1HZ LYS 29 1HZ LYS 29 -11.527 -6.448 -2.073
190 2HZ LYS 29 2HZ LYS 29 -10.182 -6.832 -3.038
191 3HZ LYS 29 3HZ LYS 29 -11.739 -6.820 -3.715
192 H THR 30 H THR 30 -9.556 -1.357 -0.550
193 HA THR 30 HA THR 30 -8.166 1.231 -0.097
194 HB THR 30 HB THR 30 -10.210 -0.306 1.525
195 HG1 THR 30 1HG THR 30 -11.503 1.350 0.959
196 1HG2 THR 30 1HG2 THR 30 -9.968 2.080 2.795
197 2HG2 THR 30 2HG2 THR 30 -8.296 1.821 2.296
198 3HG2 THR 30 3HG2 THR 30 -9.112 0.623 3.301
199 H TYR 31 H TYR 31 -6.375 1.355 1.211
200 HA TYR 31 HA TYR 31 -5.414 -1.196 2.421
201 1HB TYR 31 2HB TYR 31 -4.021 1.072 1.053
202 2HB TYR 31 1HB TYR 31 -3.150 0.053 2.188
203 HD1 TYR 31 1HD TYR 31 -3.972 0.441 -1.186
204 HD2 TYR 31 2HD TYR 31 -3.668 -2.584 1.850
205 HE1 TYR 31 1HE TYR 31 -3.746 -1.297 -2.939
206 HE2 TYR 31 2HE TYR 31 -3.442 -4.320 0.095
207 HH TYR 31 HH TYR 31 -3.710 -3.498 -3.348
208 H GLY 32 H GLY 32 -4.019 -0.863 4.352
209 1HA GLY 32 2HA GLY 32 -5.265 1.164 6.115
210 2HA GLY 32 1HA GLY 32 -4.304 -0.214 6.651
211 H ASN 33 H ASN 33 -2.276 0.536 4.463
212 HA ASN 33 HA ASN 33 -1.226 3.109 4.904
213 1HB ASN 33 2HB ASN 33 0.566 2.638 6.582
214 2HB ASN 33 1HB ASN 33 -1.052 2.565 7.271
215 1HD2 ASN 33 1HD2 ASN 33 0.645 1.194 8.797
216 2HD2 ASN 33 2HD2 ASN 33 0.582 -0.479 8.520
217 H LYS 34 H LYS 34 1.354 2.972 4.722
218 HA LYS 34 HA LYS 34 1.954 1.878 2.191
219 1HB LYS 34 2HB LYS 34 3.623 2.876 4.482
220 2HB LYS 34 1HB LYS 34 4.407 2.124 3.093
221 1HG LYS 34 2HG LYS 34 3.005 3.735 1.652
222 2HG LYS 34 1HG LYS 34 2.697 4.612 3.152
223 1HD LYS 34 2HD LYS 34 5.530 3.889 2.625
224 2HD LYS 34 1HD LYS 34 4.832 5.118 1.568
225 1HE LYS 34 2HE LYS 34 4.328 6.555 3.383
226 2HE LYS 34 1HE LYS 34 4.527 5.266 4.568
227 1HZ LYS 34 1HZ LYS 34 6.430 7.073 3.800
228 2HZ LYS 34 2HZ LYS 34 6.878 5.644 2.998
229 3HZ LYS 34 3HZ LYS 34 6.697 5.652 4.687
230 H CYS 35 H CYS 35 1.854 0.326 5.295
231 HA CYS 35 HA CYS 35 3.687 -1.826 4.555
232 1HB CYS 35 2HB CYS 35 3.350 -1.285 6.922
233 2HB CYS 35 1HB CYS 35 1.630 -1.655 6.778
234 H ASN 36 H ASN 36 0.182 -1.334 4.564
235 HA ASN 36 HA ASN 36 -0.334 -4.057 3.623
236 1HB ASN 36 2HB ASN 36 -1.826 -2.061 4.884
237 2HB ASN 36 1HB ASN 36 -2.491 -2.136 3.255
238 1HD2 ASN 36 1HD2 ASN 36 -1.576 -4.293 5.988
239 2HD2 ASN 36 2HD2 ASN 36 -2.774 -5.454 5.673
240 H PHE 37 H PHE 37 0.644 -1.118 2.234
241 HA PHE 37 HA PHE 37 -0.620 -1.642 -0.383
242 1HB PHE 37 2HB PHE 37 -0.331 0.689 0.573
243 2HB PHE 37 1HB PHE 37 1.406 0.494 0.334
244 HD1 PHE 37 1HD PHE 37 2.034 1.826 -1.490
245 HD2 PHE 37 2HD PHE 37 -1.516 -0.579 -1.749
246 HE1 PHE 37 1HE PHE 37 1.782 2.453 -3.876
247 HE2 PHE 37 2HE PHE 37 -1.769 0.051 -4.135
248 HZ PHE 37 HZ PHE 37 -0.119 1.567 -5.198
249 H CYS 38 H CYS 38 2.682 -1.435 0.967
250 HA CYS 38 HA CYS 38 3.947 -2.306 -1.479
251 1HB CYS 38 2HB CYS 38 4.941 -2.329 1.385
252 2HB CYS 38 1HB CYS 38 5.949 -2.630 -0.030
253 H ASN 39 H ASN 39 2.543 -3.939 1.284
254 HA ASN 39 HA ASN 39 3.737 -6.525 0.631
255 1HB ASN 39 2HB ASN 39 1.903 -5.456 2.683
256 2HB ASN 39 1HB ASN 39 1.549 -7.112 2.189
257 1HD2 ASN 39 1HD2 ASN 39 2.715 -8.669 3.319
258 2HD2 ASN 39 2HD2 ASN 39 4.221 -8.413 4.060
259 H ALA 40 H ALA 40 0.545 -5.011 0.209
260 HA ALA 40 HA ALA 40 -0.713 -7.211 -1.092
261 1HB ALA 40 1HB ALA 40 -1.176 -4.345 -1.928
262 2HB ALA 40 2HB ALA 40 -1.726 -4.922 -0.355
263 3HB ALA 40 3HB ALA 40 -2.345 -5.663 -1.832
264 H VAL 41 H VAL 41 1.674 -4.911 -2.071
265 HA VAL 41 HA VAL 41 1.474 -5.389 -4.929
266 HB VAL 41 HB VAL 41 3.549 -4.116 -3.139
267 1HG1 VAL 41 1HG1 VAL 41 5.061 -4.702 -4.740
268 2HG1 VAL 41 2HG1 VAL 41 4.308 -3.401 -5.660
269 3HG1 VAL 41 3HG1 VAL 41 3.809 -5.072 -5.927
270 1HG2 VAL 41 1HG2 VAL 41 2.247 -2.747 -5.439
271 2HG2 VAL 41 2HG2 VAL 41 2.647 -2.123 -3.839
272 3HG2 VAL 41 3HG2 VAL 41 1.216 -3.130 -4.061
273 H VAL 42 H VAL 42 3.367 -6.738 -2.252
274 HA VAL 42 HA VAL 42 4.984 -8.402 -4.041
275 HB VAL 42 HB VAL 42 4.611 -8.493 -1.031
276 1HG1 VAL 42 1HG1 VAL 42 6.188 -10.110 -2.966
277 2HG1 VAL 42 2HG1 VAL 42 5.546 -10.558 -1.387
278 3HG1 VAL 42 3HG1 VAL 42 7.029 -9.609 -1.498
279 1HG2 VAL 42 1HG2 VAL 42 5.758 -6.522 -1.256
280 2HG2 VAL 42 2HG2 VAL 42 6.316 -6.917 -2.883
281 3HG2 VAL 42 3HG2 VAL 42 7.137 -7.599 -1.478
282 H GLU 43 H GLU 43 1.829 -8.578 -2.824
283 HA GLU 43 HA GLU 43 1.801 -11.553 -2.899
284 1HB GLU 43 2HB GLU 43 -0.414 -9.635 -2.113
285 2HB GLU 43 1HB GLU 43 -0.411 -11.385 -1.891
286 1HG GLU 43 2HG GLU 43 1.989 -10.277 -0.749
287 2HG GLU 43 1HG GLU 43 0.585 -9.423 -0.105
288 H SER 44 H SER 44 0.825 -8.751 -4.710
289 HA SER 44 HA SER 44 -1.047 -10.291 -6.390
290 1HB SER 44 2HB SER 44 -1.081 -7.706 -5.706
291 2HB SER 44 1HB SER 44 -0.101 -7.565 -7.160
292 HG SER 44 HG SER 44 -1.957 -9.117 -7.920
293 H ASN 45 H ASN 45 2.215 -10.212 -6.193
294 HA ASN 45 HA ASN 45 3.822 -11.050 -7.705
295 1HB ASN 45 2HB ASN 45 1.399 -11.802 -8.887
296 2HB ASN 45 1HB ASN 45 2.260 -10.929 -10.154
297 1HD2 ASN 45 1HD2 ASN 45 4.797 -11.594 -10.125
298 2HD2 ASN 45 2HD2 ASN 45 5.072 -13.270 -10.062
299 H GLY 46 H GLY 46 2.527 -8.117 -7.539
300 1HA GLY 46 2HA GLY 46 3.787 -6.138 -8.159
301 2HA GLY 46 1HA GLY 46 4.436 -7.023 -9.539
302 H THR 47 H THR 47 1.191 -7.748 -9.378
303 HA THR 47 HA THR 47 0.625 -5.935 -11.628
304 HB THR 47 HB THR 47 -1.725 -7.332 -10.876
305 HG1 THR 47 1HG THR 47 -0.916 -9.441 -10.762
306 1HG2 THR 47 1HG2 THR 47 0.308 -7.399 -13.055
307 2HG2 THR 47 2HG2 THR 47 -1.431 -7.125 -13.148
308 3HG2 THR 47 3HG2 THR 47 -0.805 -8.762 -12.942
309 H LEU 48 H LEU 48 0.765 -5.294 -8.520
310 HA LEU 48 HA LEU 48 -1.886 -3.977 -8.255
311 1HB LEU 48 2HB LEU 48 -0.148 -5.184 -6.417
312 2HB LEU 48 1HB LEU 48 -0.003 -3.454 -6.102
313 HG LEU 48 HG LEU 48 -2.485 -3.295 -6.007
314 1HD1 LEU 48 1HD1 LEU 48 -3.034 -5.207 -7.431
315 2HD1 LEU 48 2HD1 LEU 48 -3.763 -5.430 -5.841
316 3HD1 LEU 48 3HD1 LEU 48 -2.298 -6.311 -6.270
317 1HD2 LEU 48 1HD2 LEU 48 -0.791 -4.848 -4.155
318 2HD2 LEU 48 2HD2 LEU 48 -2.523 -5.108 -3.950
319 3HD2 LEU 48 3HD2 LEU 48 -1.855 -3.481 -3.829
320 H THR 49 H THR 49 -1.925 -1.666 -7.630
321 HA THR 49 HA THR 49 0.487 -0.117 -8.312
322 HB THR 49 HB THR 49 -1.556 1.161 -9.709
323 HG1 THR 49 1HG THR 49 -1.350 -1.589 -10.345
324 1HG2 THR 49 1HG2 THR 49 0.288 1.443 -10.954
325 2HG2 THR 49 2HG2 THR 49 0.104 -0.215 -11.527
326 3HG2 THR 49 3HG2 THR 49 1.091 0.122 -10.105
327 H LEU 50 H LEU 50 -0.819 2.370 -8.536
328 HA LEU 50 HA LEU 50 -2.191 2.639 -5.896
329 1HB LEU 50 2HB LEU 50 -0.011 3.424 -5.420
330 2HB LEU 50 1HB LEU 50 0.161 4.178 -7.004
331 HG LEU 50 HG LEU 50 -1.605 5.815 -6.399
332 1HD1 LEU 50 1HD1 LEU 50 -2.446 5.915 -4.120
333 2HD1 LEU 50 2HD1 LEU 50 -1.414 4.569 -3.640
334 3HD1 LEU 50 3HD1 LEU 50 -2.750 4.300 -4.759
335 1HD2 LEU 50 1HD2 LEU 50 0.438 6.794 -5.961
336 2HD2 LEU 50 2HD2 LEU 50 0.941 5.503 -4.870
337 3HD2 LEU 50 3HD2 LEU 50 -0.184 6.740 -4.311
338 H SER 51 H SER 51 -4.203 3.343 -6.407
339 HA SER 51 HA SER 51 -4.688 4.886 -8.846
340 1HB SER 51 2HB SER 51 -6.691 3.881 -8.638
341 2HB SER 51 1HB SER 51 -6.242 3.265 -7.053
342 HG SER 51 HG SER 51 -7.465 5.729 -7.724
343 H HIS 52 H HIS 52 -4.651 5.475 -5.336
344 HA HIS 52 HA HIS 52 -3.915 8.178 -5.592
345 1HB HIS 52 2HB HIS 52 -5.817 9.426 -5.767
346 2HB HIS 52 1HB HIS 52 -6.477 7.965 -6.489
347 HD1 HIS 52 1HD HIS 52 -8.217 6.643 -5.135
348 HD2 HIS 52 2HD HIS 52 -6.664 9.907 -3.060
349 HE1 HIS 52 1HE HIS 52 -9.655 6.928 -3.069
350 H PHE 53 H PHE 53 -2.764 8.148 -3.754
351 HA PHE 53 HA PHE 53 -3.086 6.644 -1.454
352 1HB PHE 53 2HB PHE 53 -1.965 9.385 -1.948
353 2HB PHE 53 1HB PHE 53 -2.093 8.798 -0.296
354 HD1 PHE 53 1HD PHE 53 -1.731 5.976 -2.369
355 HD2 PHE 53 2HD PHE 53 0.529 9.233 -0.709
356 HE1 PHE 53 1HE PHE 53 0.357 4.680 -2.669
357 HE2 PHE 53 2HE PHE 53 2.617 7.933 -1.012
358 HZ PHE 53 HZ PHE 53 2.532 5.657 -1.992
359 H GLY 54 H GLY 54 -5.223 6.384 -0.779
360 1HA GLY 54 2HA GLY 54 -6.327 7.926 1.202
361 2HA GLY 54 1HA GLY 54 -6.949 8.686 -0.267
362 H LYS 55 H LYS 55 -8.341 7.031 1.861
363 HA LYS 55 HA LYS 55 -8.998 4.456 0.936
364 1HB LYS 55 2HB LYS 55 -11.142 4.746 2.142
365 2HB LYS 55 1HB LYS 55 -9.790 5.362 3.095
366 1HG LYS 55 2HG LYS 55 -10.305 7.634 2.518
367 2HG LYS 55 1HG LYS 55 -11.469 7.122 1.294
368 1HD LYS 55 2HD LYS 55 -12.954 6.232 2.984
369 2HD LYS 55 1HD LYS 55 -11.757 6.515 4.249
370 1HE LYS 55 2HE LYS 55 -11.946 8.898 4.009
371 2HE LYS 55 1HE LYS 55 -12.910 8.732 2.540
372 1HZ LYS 55 1HZ LYS 55 -14.527 7.460 4.009
373 2HZ LYS 55 2HZ LYS 55 -14.454 9.146 4.213
374 3HZ LYS 55 3HZ LYS 55 -13.683 8.118 5.325
375 H CYS 56 H CYS 56 -10.406 3.668 -0.623
376 HA CYS 56 HA CYS 56 -11.061 5.451 -2.821
377 1HB CYS 56 2HB CYS 56 -12.194 2.678 -2.494
378 2HB CYS 56 1HB CYS 56 -11.735 3.518 -3.977
Start of MODEL 11
1 1H ALA 3 1HT ALA 3 5.135 1.680 0.944
2 2H ALA 3 2HT ALA 3 5.388 3.291 1.418
3 3H ALA 3 3HT ALA 3 5.880 2.770 -0.121
4 HA ALA 3 HA ALA 3 3.053 2.482 0.579
5 1HB ALA 3 1HB ALA 3 3.976 4.835 1.232
6 2HB ALA 3 2HB ALA 3 2.531 4.746 0.225
7 3HB ALA 3 3HB ALA 3 4.098 5.089 -0.509
8 H VAL 4 H VAL 4 2.230 3.911 -1.732
9 HA VAL 4 HA VAL 4 3.151 2.013 -3.804
10 HB VAL 4 HB VAL 4 0.708 2.509 -3.485
11 1HG1 VAL 4 1HG1 VAL 4 0.882 5.049 -4.943
12 2HG1 VAL 4 2HG1 VAL 4 1.568 5.126 -3.320
13 3HG1 VAL 4 3HG1 VAL 4 -0.107 4.622 -3.547
14 1HG2 VAL 4 1HG2 VAL 4 2.036 1.976 -5.759
15 2HG2 VAL 4 2HG2 VAL 4 1.389 3.556 -6.196
16 3HG2 VAL 4 3HG2 VAL 4 0.296 2.250 -5.743
17 H SER 5 H SER 5 3.527 3.018 -6.063
18 HA SER 5 HA SER 5 4.981 4.346 -7.351
19 1HB SER 5 2HB SER 5 3.138 5.938 -7.163
20 2HB SER 5 1HB SER 5 3.696 6.445 -5.571
21 HG SER 5 HG SER 5 4.321 7.681 -7.609
22 H VAL 6 H VAL 6 5.842 3.241 -4.673
23 HA VAL 6 HA VAL 6 8.262 4.952 -4.375
24 HB VAL 6 HB VAL 6 6.340 4.032 -2.248
25 1HG1 VAL 6 1HG1 VAL 6 8.070 4.386 -0.536
26 2HG1 VAL 6 2HG1 VAL 6 9.273 4.667 -1.794
27 3HG1 VAL 6 3HG1 VAL 6 8.537 3.073 -1.618
28 1HG2 VAL 6 1HG2 VAL 6 6.020 6.288 -2.716
29 2HG2 VAL 6 2HG2 VAL 6 7.724 6.560 -3.082
30 3HG2 VAL 6 3HG2 VAL 6 7.198 6.381 -1.408
31 H ASP 7 H ASP 7 10.015 3.654 -3.172
32 HA ASP 7 HA ASP 7 10.285 1.069 -4.474
33 1HB ASP 7 2HB ASP 7 12.061 2.928 -3.536
34 2HB ASP 7 1HB ASP 7 12.133 1.712 -2.262
35 H CYS 8 H CYS 8 8.941 -0.528 -3.682
36 HA CYS 8 HA CYS 8 8.492 -0.764 -0.774
37 1HB CYS 8 2HB CYS 8 7.489 -2.386 -3.131
38 2HB CYS 8 1HB CYS 8 7.072 -2.731 -1.455
39 H SER 9 H SER 9 11.168 -1.287 -2.195
40 HA SER 9 HA SER 9 11.743 -4.073 -2.146
41 1HB SER 9 2HB SER 9 14.114 -3.360 -1.905
42 2HB SER 9 1HB SER 9 13.272 -2.459 -3.163
43 HG SER 9 HG SER 9 14.223 -1.641 -0.683
44 H GLU 10 H GLU 10 10.986 -1.972 0.427
45 HA GLU 10 HA GLU 10 12.534 -3.470 2.436
46 1HB GLU 10 2HB GLU 10 11.020 -0.965 2.343
47 2HB GLU 10 1HB GLU 10 10.686 -1.901 3.799
48 1HG GLU 10 2HG GLU 10 13.273 -2.181 3.930
49 2HG GLU 10 1HG GLU 10 13.315 -0.803 2.828
50 H TYR 11 H TYR 11 10.625 -4.991 0.858
51 HA TYR 11 HA TYR 11 8.900 -5.950 3.085
52 1HB TYR 11 2HB TYR 11 8.040 -5.273 0.267
53 2HB TYR 11 1HB TYR 11 7.105 -6.355 1.297
54 HD1 TYR 11 1HD TYR 11 5.580 -5.476 2.861
55 HD2 TYR 11 2HD TYR 11 8.672 -2.964 1.251
56 HE1 TYR 11 1HE TYR 11 4.584 -3.509 4.007
57 HE2 TYR 11 2HE TYR 11 7.678 -1.003 2.391
58 HH TYR 11 HH TYR 11 5.518 -0.300 3.286
59 HA PRO 12 HA PRO 12 7.126 -7.406 2.794
60 1HB PRO 12 2HB PRO 12 6.835 -9.794 4.115
61 2HB PRO 12 1HB PRO 12 6.258 -9.512 2.463
62 1HG PRO 12 2HG PRO 12 8.630 -11.071 3.384
63 2HG PRO 12 1HG PRO 12 7.671 -11.255 1.906
64 1HD PRO 12 2HD PRO 12 10.200 -9.996 2.093
65 2HD PRO 12 1HD PRO 12 9.088 -9.903 0.712
66 H LYS 13 H LYS 13 6.758 -6.888 5.027
67 HA LYS 13 HA LYS 13 9.239 -6.946 6.670
68 1HB LYS 13 2HB LYS 13 6.735 -5.275 7.036
69 2HB LYS 13 1HB LYS 13 8.257 -5.088 7.910
70 1HG LYS 13 2HG LYS 13 9.395 -4.668 5.710
71 2HG LYS 13 1HG LYS 13 7.809 -4.678 4.941
72 1HD LYS 13 2HD LYS 13 7.760 -2.460 5.393
73 2HD LYS 13 1HD LYS 13 7.441 -2.943 7.060
74 1HE LYS 13 2HE LYS 13 10.155 -3.205 6.962
75 2HE LYS 13 1HE LYS 13 9.909 -1.855 5.853
76 1HZ LYS 13 1HZ LYS 13 10.183 -1.157 8.183
77 2HZ LYS 13 2HZ LYS 13 8.772 -2.012 8.590
78 3HZ LYS 13 3HZ LYS 13 8.690 -0.687 7.531
79 HA PRO 14 HA PRO 14 7.186 -9.947 9.221
80 1HB PRO 14 2HB PRO 14 9.140 -10.068 11.150
81 2HB PRO 14 1HB PRO 14 9.268 -10.873 9.577
82 1HG PRO 14 2HG PRO 14 10.644 -8.412 10.542
83 2HG PRO 14 1HG PRO 14 11.158 -9.573 9.307
84 1HD PRO 14 2HD PRO 14 10.010 -7.027 8.821
85 2HD PRO 14 1HD PRO 14 10.231 -8.321 7.625
86 H ALA 15 H ALA 15 7.460 -6.721 9.800
87 HA ALA 15 HA ALA 15 5.652 -6.809 12.082
88 1HB ALA 15 1HB ALA 15 7.855 -7.097 13.203
89 2HB ALA 15 2HB ALA 15 7.089 -5.567 13.634
90 3HB ALA 15 3HB ALA 15 8.407 -5.596 12.462
91 H CYS 16 H CYS 16 4.433 -4.923 12.115
92 HA CYS 16 HA CYS 16 5.448 -2.641 10.482
93 1HB CYS 16 2HB CYS 16 2.890 -4.168 10.187
94 2HB CYS 16 1HB CYS 16 2.861 -2.428 9.892
95 H THR 17 H THR 17 3.564 -0.789 10.838
96 HA THR 17 HA THR 17 3.203 -0.623 13.805
97 HB THR 17 HB THR 17 3.296 1.990 12.784
98 HG1 THR 17 1HG THR 17 4.250 1.343 10.913
99 1HG2 THR 17 1HG2 THR 17 5.846 1.068 13.821
100 2HG2 THR 17 2HG2 THR 17 4.506 0.432 14.773
101 3HG2 THR 17 3HG2 THR 17 4.682 2.173 14.549
102 H MET 18 H MET 18 1.528 1.247 14.267
103 HA MET 18 HA MET 18 -0.902 0.566 12.734
104 1HB MET 18 2HB MET 18 -0.809 0.716 15.283
105 2HB MET 18 1HB MET 18 -0.667 2.462 15.086
106 1HG MET 18 2HG MET 18 -2.801 1.650 13.415
107 2HG MET 18 1HG MET 18 -3.034 0.820 14.954
108 1HE MET 18 1HE MET 18 -4.608 3.214 17.109
109 2HE MET 18 2HE MET 18 -3.793 1.662 16.932
110 3HE MET 18 3HE MET 18 -5.145 2.065 15.877
111 H GLU 19 H GLU 19 1.418 2.369 11.795
112 HA GLU 19 HA GLU 19 0.850 5.056 11.629
113 1HB GLU 19 2HB GLU 19 2.697 3.749 10.433
114 2HB GLU 19 1HB GLU 19 1.514 3.433 9.166
115 1HG GLU 19 2HG GLU 19 2.504 5.380 8.368
116 2HG GLU 19 1HG GLU 19 1.145 6.042 9.277
117 H TYR 20 H TYR 20 -0.891 6.231 10.968
118 HA TYR 20 HA TYR 20 -3.080 4.817 9.569
119 1HB TYR 20 2HB TYR 20 -3.109 6.682 11.560
120 2HB TYR 20 1HB TYR 20 -3.378 7.691 10.142
121 HD1 TYR 20 1HD TYR 20 -5.319 7.295 8.660
122 HD2 TYR 20 2HD TYR 20 -4.749 5.056 12.282
123 HE1 TYR 20 1HE TYR 20 -7.679 6.536 8.562
124 HE2 TYR 20 2HE TYR 20 -7.109 4.298 12.185
125 HH TYR 20 HH TYR 20 -9.414 5.712 10.161
126 H ARG 21 H ARG 21 -2.773 4.725 7.431
127 HA ARG 21 HA ARG 21 -2.461 7.240 5.922
128 1HB ARG 21 2HB ARG 21 -0.552 4.899 5.623
129 2HB ARG 21 1HB ARG 21 -0.623 6.287 4.536
130 1HG ARG 21 2HG ARG 21 -0.093 7.796 6.405
131 2HG ARG 21 1HG ARG 21 -0.045 6.421 7.510
132 1HD ARG 21 2HD ARG 21 2.231 6.954 6.857
133 2HD ARG 21 1HD ARG 21 1.777 5.429 6.098
134 HE ARG 21 HE ARG 21 1.221 7.692 4.371
135 1HH1 ARG 21 1HH2 ARG 21 2.337 4.952 3.615
136 2HH1 ARG 21 2HH2 ARG 21 3.930 5.378 3.090
137 1HH2 ARG 21 1HH1 ARG 21 3.853 8.528 4.539
138 2HH2 ARG 21 2HH1 ARG 21 4.792 7.403 3.615
139 HA PRO 22 HA PRO 22 -5.470 4.513 3.956
140 1HB PRO 22 2HB PRO 22 -6.876 6.570 2.792
141 2HB PRO 22 1HB PRO 22 -7.129 6.022 4.459
142 1HG PRO 22 2HG PRO 22 -5.734 8.474 3.480
143 2HG PRO 22 1HG PRO 22 -6.571 8.195 5.016
144 1HD PRO 22 2HD PRO 22 -3.775 8.162 4.645
145 2HD PRO 22 1HD PRO 22 -4.641 7.522 6.058
146 H LEU 23 H LEU 23 -4.537 3.508 2.222
147 HA LEU 23 HA LEU 23 -3.745 5.208 -0.112
148 1HB LEU 23 2HB LEU 23 -2.608 2.617 0.956
149 2HB LEU 23 1HB LEU 23 -2.334 3.124 -0.712
150 HG LEU 23 HG LEU 23 -1.789 5.040 1.542
151 1HD1 LEU 23 1HD1 LEU 23 -0.459 2.511 1.110
152 2HD1 LEU 23 2HD1 LEU 23 -0.140 3.731 2.344
153 3HD1 LEU 23 3HD1 LEU 23 0.651 3.840 0.771
154 1HD2 LEU 23 1HD2 LEU 23 -1.759 5.861 -0.777
155 2HD2 LEU 23 2HD2 LEU 23 -0.611 4.598 -1.221
156 3HD2 LEU 23 3HD2 LEU 23 -0.128 5.875 -0.106
157 H CYS 24 H CYS 24 -5.280 5.004 -1.707
158 HA CYS 24 HA CYS 24 -6.942 2.564 -1.737
159 1HB CYS 24 2HB CYS 24 -7.256 5.295 -2.643
160 2HB CYS 24 1HB CYS 24 -7.598 4.172 -3.959
161 H GLY 25 H GLY 25 -6.111 0.843 -2.780
162 1HA GLY 25 2HA GLY 25 -3.950 1.016 -4.666
163 2HA GLY 25 1HA GLY 25 -4.909 -0.427 -4.341
164 H SER 26 H SER 26 -3.997 0.620 -6.943
165 HA SER 26 HA SER 26 -6.056 1.907 -8.400
166 1HB SER 26 2HB SER 26 -3.724 0.212 -9.056
167 2HB SER 26 1HB SER 26 -5.001 0.227 -10.269
168 HG SER 26 HG SER 26 -4.013 2.025 -10.810
169 H ASP 27 H ASP 27 -6.086 -1.191 -6.955
170 HA ASP 27 HA ASP 27 -7.943 -2.416 -8.852
171 1HB ASP 27 2HB ASP 27 -7.956 -4.283 -7.366
172 2HB ASP 27 1HB ASP 27 -6.305 -3.666 -7.338
173 H ASN 28 H ASN 28 -8.461 0.166 -7.057
174 HA ASN 28 HA ASN 28 -10.437 1.169 -6.297
175 1HB ASN 28 2HB ASN 28 -11.306 -0.972 -7.952
176 2HB ASN 28 1HB ASN 28 -12.289 -1.013 -6.491
177 1HD2 ASN 28 1HD2 ASN 28 -12.644 0.095 -9.453
178 2HD2 ASN 28 2HD2 ASN 28 -13.369 1.606 -9.183
179 H LYS 29 H LYS 29 -8.632 -0.217 -4.525
180 HA LYS 29 HA LYS 29 -10.596 -1.087 -2.437
181 1HB LYS 29 2HB LYS 29 -9.323 -3.033 -3.220
182 2HB LYS 29 1HB LYS 29 -7.808 -2.182 -2.915
183 1HG LYS 29 2HG LYS 29 -8.269 -2.085 -0.538
184 2HG LYS 29 1HG LYS 29 -9.883 -2.750 -0.782
185 1HD LYS 29 2HD LYS 29 -8.748 -4.800 -1.791
186 2HD LYS 29 1HD LYS 29 -7.229 -4.147 -1.176
187 1HE LYS 29 2HE LYS 29 -7.737 -4.664 0.980
188 2HE LYS 29 1HE LYS 29 -9.425 -4.188 0.794
189 1HZ LYS 29 1HZ LYS 29 -9.164 -6.578 1.167
190 2HZ LYS 29 2HZ LYS 29 -8.239 -6.701 -0.252
191 3HZ LYS 29 3HZ LYS 29 -9.875 -6.250 -0.337
192 H THR 30 H THR 30 -9.766 -0.739 -0.193
193 HA THR 30 HA THR 30 -8.099 1.740 -0.080
194 HB THR 30 HB THR 30 -10.233 0.661 1.784
195 HG1 THR 30 1HG THR 30 -10.146 3.204 0.616
196 1HG2 THR 30 1HG2 THR 30 -8.512 3.134 2.106
197 2HG2 THR 30 2HG2 THR 30 -8.337 1.656 3.050
198 3HG2 THR 30 3HG2 THR 30 -9.810 2.617 3.184
199 H TYR 31 H TYR 31 -6.343 1.805 1.375
200 HA TYR 31 HA TYR 31 -5.636 -0.810 2.638
201 1HB TYR 31 2HB TYR 31 -4.026 1.218 1.134
202 2HB TYR 31 1HB TYR 31 -3.246 0.263 2.391
203 HD1 TYR 31 1HD TYR 31 -4.179 0.330 -1.022
204 HD2 TYR 31 2HD TYR 31 -3.755 -2.333 2.322
205 HE1 TYR 31 1HE TYR 31 -4.044 -1.599 -2.574
206 HE2 TYR 31 2HE TYR 31 -3.620 -4.262 0.770
207 HH TYR 31 HH TYR 31 -4.592 -4.196 -2.329
208 H GLY 32 H GLY 32 -4.381 -0.646 4.625
209 1HA GLY 32 2HA GLY 32 -5.345 1.558 6.313
210 2HA GLY 32 1HA GLY 32 -4.462 0.136 6.870
211 H ASN 33 H ASN 33 -2.381 0.557 4.733
212 HA ASN 33 HA ASN 33 -1.174 3.111 5.001
213 1HB ASN 33 2HB ASN 33 0.564 2.681 6.683
214 2HB ASN 33 1HB ASN 33 -1.037 2.537 7.406
215 1HD2 ASN 33 1HD2 ASN 33 0.844 1.233 8.835
216 2HD2 ASN 33 2HD2 ASN 33 0.809 -0.442 8.562
217 H LYS 34 H LYS 34 1.210 3.007 4.437
218 HA LYS 34 HA LYS 34 1.634 1.592 2.057
219 1HB LYS 34 2HB LYS 34 4.076 2.116 2.447
220 2HB LYS 34 1HB LYS 34 2.995 3.504 2.572
221 1HG LYS 34 2HG LYS 34 3.159 3.592 4.904
222 2HG LYS 34 1HG LYS 34 3.658 1.905 5.030
223 1HD LYS 34 2HD LYS 34 5.823 2.466 3.979
224 2HD LYS 34 1HD LYS 34 5.329 4.156 3.871
225 1HE LYS 34 2HE LYS 34 5.039 4.163 6.368
226 2HE LYS 34 1HE LYS 34 5.725 2.538 6.404
227 1HZ LYS 34 1HZ LYS 34 7.568 3.757 4.974
228 2HZ LYS 34 2HZ LYS 34 7.615 3.724 6.671
229 3HZ LYS 34 3HZ LYS 34 7.021 5.094 5.861
230 H CYS 35 H CYS 35 1.805 0.377 5.279
231 HA CYS 35 HA CYS 35 3.739 -1.721 4.750
232 1HB CYS 35 2HB CYS 35 3.406 -1.169 7.045
233 2HB CYS 35 1HB CYS 35 1.654 -1.287 6.897
234 H ASN 36 H ASN 36 0.196 -1.572 4.902
235 HA ASN 36 HA ASN 36 -0.118 -4.312 4.012
236 1HB ASN 36 2HB ASN 36 -1.726 -2.178 5.086
237 2HB ASN 36 1HB ASN 36 -2.496 -2.840 3.654
238 1HD2 ASN 36 1HD2 ASN 36 -0.797 -4.039 6.603
239 2HD2 ASN 36 2HD2 ASN 36 -1.832 -5.362 6.846
240 H PHE 37 H PHE 37 0.607 -1.385 2.444
241 HA PHE 37 HA PHE 37 -0.783 -2.123 -0.059
242 1HB PHE 37 2HB PHE 37 -0.681 0.272 0.589
243 2HB PHE 37 1HB PHE 37 1.082 0.199 0.513
244 HD1 PHE 37 1HD PHE 37 2.263 -0.061 -1.599
245 HD2 PHE 37 2HD PHE 37 -2.027 0.133 -1.474
246 HE1 PHE 37 1HE PHE 37 2.208 0.258 -4.055
247 HE2 PHE 37 2HE PHE 37 -2.084 0.456 -3.936
248 HZ PHE 37 HZ PHE 37 0.038 0.511 -5.221
249 H CYS 38 H CYS 38 2.601 -1.407 0.884
250 HA CYS 38 HA CYS 38 3.786 -2.343 -1.521
251 1HB CYS 38 2HB CYS 38 4.794 -2.118 1.316
252 2HB CYS 38 1HB CYS 38 5.805 -2.817 0.053
253 H ASN 39 H ASN 39 2.656 -3.988 1.357
254 HA ASN 39 HA ASN 39 3.813 -6.562 0.634
255 1HB ASN 39 2HB ASN 39 2.025 -5.517 2.749
256 2HB ASN 39 1HB ASN 39 1.721 -7.192 2.285
257 1HD2 ASN 39 1HD2 ASN 39 3.320 -5.606 4.603
258 2HD2 ASN 39 2HD2 ASN 39 4.700 -6.580 4.776
259 H ALA 40 H ALA 40 0.636 -5.024 0.290
260 HA ALA 40 HA ALA 40 -0.689 -7.239 -0.938
261 1HB ALA 40 1HB ALA 40 -1.738 -5.035 -0.122
262 2HB ALA 40 2HB ALA 40 -2.337 -5.660 -1.657
263 3HB ALA 40 3HB ALA 40 -1.177 -4.332 -1.640
264 H VAL 41 H VAL 41 1.734 -5.038 -2.004
265 HA VAL 41 HA VAL 41 1.317 -5.568 -4.862
266 HB VAL 41 HB VAL 41 3.413 -4.071 -3.277
267 1HG1 VAL 41 1HG1 VAL 41 4.819 -4.766 -4.966
268 2HG1 VAL 41 2HG1 VAL 41 4.044 -3.423 -5.805
269 3HG1 VAL 41 3HG1 VAL 41 3.492 -5.073 -6.086
270 1HG2 VAL 41 1HG2 VAL 41 1.997 -2.363 -3.670
271 2HG2 VAL 41 2HG2 VAL 41 0.935 -3.428 -4.591
272 3HG2 VAL 41 3HG2 VAL 41 2.252 -2.582 -5.402
273 H VAL 42 H VAL 42 3.381 -6.685 -2.222
274 HA VAL 42 HA VAL 42 5.127 -8.261 -3.922
275 HB VAL 42 HB VAL 42 4.548 -8.768 -0.995
276 1HG1 VAL 42 1HG1 VAL 42 6.756 -9.395 -2.934
277 2HG1 VAL 42 2HG1 VAL 42 5.967 -10.457 -1.767
278 3HG1 VAL 42 3HG1 VAL 42 7.122 -9.245 -1.216
279 1HG2 VAL 42 1HG2 VAL 42 5.415 -6.336 -2.120
280 2HG2 VAL 42 2HG2 VAL 42 6.876 -7.118 -1.516
281 3HG2 VAL 42 3HG2 VAL 42 5.523 -6.814 -0.426
282 H GLU 43 H GLU 43 1.907 -8.606 -2.892
283 HA GLU 43 HA GLU 43 1.958 -11.565 -3.125
284 1HB GLU 43 2HB GLU 43 -0.122 -9.564 -2.239
285 2HB GLU 43 1HB GLU 43 -0.547 -11.240 -2.585
286 1HG GLU 43 2HG GLU 43 1.830 -11.091 -0.922
287 2HG GLU 43 1HG GLU 43 0.474 -10.245 -0.171
288 H SER 44 H SER 44 0.574 -8.697 -4.703
289 HA SER 44 HA SER 44 -0.868 -10.217 -6.702
290 1HB SER 44 2HB SER 44 -0.774 -7.545 -5.904
291 2HB SER 44 1HB SER 44 -0.100 -7.527 -7.530
292 HG SER 44 HG SER 44 -1.956 -8.674 -8.217
293 H ASN 45 H ASN 45 2.406 -9.777 -6.220
294 HA ASN 45 HA ASN 45 4.204 -10.460 -7.588
295 1HB ASN 45 2HB ASN 45 2.131 -11.763 -8.738
296 2HB ASN 45 1HB ASN 45 2.546 -10.655 -10.045
297 1HD2 ASN 45 1HD2 ASN 45 3.600 -12.168 -11.441
298 2HD2 ASN 45 2HD2 ASN 45 5.018 -12.992 -11.005
299 H GLY 46 H GLY 46 2.634 -7.705 -7.596
300 1HA GLY 46 2HA GLY 46 3.757 -5.650 -8.296
301 2HA GLY 46 1HA GLY 46 4.395 -6.520 -9.691
302 H THR 47 H THR 47 1.256 -7.512 -9.372
303 HA THR 47 HA THR 47 0.406 -5.708 -11.555
304 HB THR 47 HB THR 47 -1.675 -7.264 -11.434
305 HG1 THR 47 1HG THR 47 -0.635 -9.359 -10.509
306 1HG2 THR 47 1HG2 THR 47 -0.694 -8.507 -13.075
307 2HG2 THR 47 2HG2 THR 47 0.690 -8.927 -12.065
308 3HG2 THR 47 3HG2 THR 47 0.630 -7.359 -12.869
309 H LEU 48 H LEU 48 0.636 -4.898 -8.618
310 HA LEU 48 HA LEU 48 -2.146 -3.822 -8.380
311 1HB LEU 48 2HB LEU 48 -1.512 -5.680 -6.710
312 2HB LEU 48 1HB LEU 48 -0.417 -4.497 -5.998
313 HG LEU 48 HG LEU 48 -2.734 -3.039 -6.240
314 1HD1 LEU 48 1HD1 LEU 48 -3.505 -5.726 -6.581
315 2HD1 LEU 48 2HD1 LEU 48 -4.564 -4.355 -6.251
316 3HD1 LEU 48 3HD1 LEU 48 -3.933 -5.322 -4.919
317 1HD2 LEU 48 1HD2 LEU 48 -1.963 -4.785 -3.881
318 2HD2 LEU 48 2HD2 LEU 48 -2.888 -3.286 -3.822
319 3HD2 LEU 48 3HD2 LEU 48 -1.185 -3.253 -4.279
320 H THR 49 H THR 49 -2.194 -1.622 -8.216
321 HA THR 49 HA THR 49 0.316 -0.228 -7.379
322 HB THR 49 HB THR 49 0.148 1.315 -9.141
323 HG1 THR 49 1HG THR 49 -1.722 1.952 -9.815
324 1HG2 THR 49 1HG2 THR 49 0.279 0.001 -11.082
325 2HG2 THR 49 2HG2 THR 49 -0.985 -1.099 -10.533
326 3HG2 THR 49 3HG2 THR 49 0.617 -1.160 -9.799
327 H LEU 50 H LEU 50 -0.985 2.346 -7.804
328 HA LEU 50 HA LEU 50 -3.061 2.315 -5.657
329 1HB LEU 50 2HB LEU 50 -1.001 3.029 -4.595
330 2HB LEU 50 1HB LEU 50 -0.675 4.170 -5.902
331 HG LEU 50 HG LEU 50 -3.236 4.855 -5.075
332 1HD1 LEU 50 1HD1 LEU 50 -2.000 5.091 -2.498
333 2HD1 LEU 50 2HD1 LEU 50 -2.009 3.392 -2.967
334 3HD1 LEU 50 3HD1 LEU 50 -3.520 4.300 -2.915
335 1HD2 LEU 50 1HD2 LEU 50 -0.784 6.061 -5.434
336 2HD2 LEU 50 2HD2 LEU 50 -1.066 6.297 -3.710
337 3HD2 LEU 50 3HD2 LEU 50 -2.243 6.888 -4.885
338 H SER 51 H SER 51 -4.874 3.358 -6.351
339 HA SER 51 HA SER 51 -4.791 4.877 -8.848
340 1HB SER 51 2HB SER 51 -6.849 3.618 -7.173
341 2HB SER 51 1HB SER 51 -7.351 5.154 -7.875
342 HG SER 51 HG SER 51 -7.186 4.324 -9.839
343 H HIS 52 H HIS 52 -4.862 5.606 -5.420
344 HA HIS 52 HA HIS 52 -4.269 8.339 -5.872
345 1HB HIS 52 2HB HIS 52 -6.266 9.478 -5.689
346 2HB HIS 52 1HB HIS 52 -6.841 8.029 -6.503
347 HD1 HIS 52 1HD HIS 52 -8.054 6.218 -4.974
348 HD2 HIS 52 2HD HIS 52 -7.238 9.846 -3.090
349 HE1 HIS 52 1HE HIS 52 -9.437 6.253 -2.852
350 H PHE 53 H PHE 53 -2.933 8.510 -4.204
351 HA PHE 53 HA PHE 53 -2.793 7.081 -1.846
352 1HB PHE 53 2HB PHE 53 -2.161 9.993 -2.381
353 2HB PHE 53 1HB PHE 53 -1.765 9.200 -0.863
354 HD1 PHE 53 1HD PHE 53 -1.180 9.137 -4.524
355 HD2 PHE 53 2HD PHE 53 0.090 7.697 -0.682
356 HE1 PHE 53 1HE PHE 53 0.878 8.212 -5.552
357 HE2 PHE 53 2HE PHE 53 2.150 6.767 -1.711
358 HZ PHE 53 HZ PHE 53 2.541 7.025 -4.145
359 H GLY 54 H GLY 54 -4.847 6.656 -0.898
360 1HA GLY 54 2HA GLY 54 -5.833 8.085 1.184
361 2HA GLY 54 1HA GLY 54 -6.578 8.929 -0.173
362 H LYS 55 H LYS 55 -8.377 7.827 1.446
363 HA LYS 55 HA LYS 55 -8.959 5.051 0.721
364 1HB LYS 55 2HB LYS 55 -10.890 5.273 2.142
365 2HB LYS 55 1HB LYS 55 -9.567 6.117 2.945
366 1HG LYS 55 2HG LYS 55 -10.377 8.265 2.074
367 2HG LYS 55 1HG LYS 55 -11.675 7.439 1.210
368 1HD LYS 55 2HD LYS 55 -11.833 6.533 3.879
369 2HD LYS 55 1HD LYS 55 -11.589 8.278 3.977
370 1HE LYS 55 2HE LYS 55 -13.768 8.547 3.484
371 2HE LYS 55 1HE LYS 55 -13.437 7.883 1.883
372 1HZ LYS 55 1HZ LYS 55 -13.548 5.661 3.347
373 2HZ LYS 55 2HZ LYS 55 -14.888 6.322 2.540
374 3HZ LYS 55 3HZ LYS 55 -14.654 6.626 4.196
375 H CYS 56 H CYS 56 -11.133 4.517 -0.284
376 HA CYS 56 HA CYS 56 -11.596 6.377 -2.559
377 1HB CYS 56 2HB CYS 56 -12.220 3.446 -2.140
378 2HB CYS 56 1HB CYS 56 -12.830 4.362 -3.519
Start of MODEL 12
1 1H ALA 3 1HT ALA 3 8.460 2.214 -9.013
2 2H ALA 3 2HT ALA 3 7.739 1.359 -7.734
3 3H ALA 3 3HT ALA 3 7.124 2.872 -8.202
4 HA ALA 3 HA ALA 3 7.111 1.282 -10.479
5 1HB ALA 3 1HB ALA 3 5.687 -0.588 -9.728
6 2HB ALA 3 2HB ALA 3 5.882 -0.066 -8.055
7 3HB ALA 3 3HB ALA 3 7.274 -0.659 -8.962
8 H VAL 4 H VAL 4 5.016 1.955 -7.644
9 HA VAL 4 HA VAL 4 3.007 3.083 -9.530
10 HB VAL 4 HB VAL 4 2.108 3.109 -6.798
11 1HG1 VAL 4 1HG1 VAL 4 0.909 1.040 -8.376
12 2HG1 VAL 4 2HG1 VAL 4 1.216 2.435 -9.411
13 3HG1 VAL 4 3HG1 VAL 4 0.251 2.619 -7.948
14 1HG2 VAL 4 1HG2 VAL 4 2.129 0.626 -6.429
15 2HG2 VAL 4 2HG2 VAL 4 3.733 1.354 -6.333
16 3HG2 VAL 4 3HG2 VAL 4 3.250 0.473 -7.782
17 H SER 5 H SER 5 3.627 3.959 -6.156
18 HA SER 5 HA SER 5 4.449 6.678 -7.018
19 1HB SER 5 2HB SER 5 2.166 7.132 -6.757
20 2HB SER 5 1HB SER 5 1.983 5.955 -5.462
21 HG SER 5 HG SER 5 2.105 7.752 -4.320
22 H VAL 6 H VAL 6 5.297 4.096 -5.358
23 HA VAL 6 HA VAL 6 6.967 5.592 -3.486
24 HB VAL 6 HB VAL 6 6.107 4.167 -1.519
25 1HG1 VAL 6 1HG1 VAL 6 4.132 6.188 -2.599
26 2HG1 VAL 6 2HG1 VAL 6 5.696 6.654 -1.933
27 3HG1 VAL 6 3HG1 VAL 6 4.509 5.840 -0.913
28 1HG2 VAL 6 1HG2 VAL 6 3.596 3.669 -1.836
29 2HG2 VAL 6 2HG2 VAL 6 4.733 2.565 -2.609
30 3HG2 VAL 6 3HG2 VAL 6 3.913 3.801 -3.566
31 H ASP 7 H ASP 7 8.531 4.098 -2.407
32 HA ASP 7 HA ASP 7 9.133 1.823 -4.193
33 1HB ASP 7 2HB ASP 7 10.825 3.597 -3.255
34 2HB ASP 7 1HB ASP 7 10.803 2.582 -1.811
35 H CYS 8 H CYS 8 8.628 -0.238 -3.660
36 HA CYS 8 HA CYS 8 7.960 -0.823 -0.802
37 1HB CYS 8 2HB CYS 8 6.864 -2.013 -3.366
38 2HB CYS 8 1HB CYS 8 6.531 -2.667 -1.761
39 H SER 9 H SER 9 10.613 -0.963 -2.098
40 HA SER 9 HA SER 9 11.177 -3.780 -2.583
41 1HB SER 9 2HB SER 9 13.392 -3.100 -2.973
42 2HB SER 9 1HB SER 9 12.463 -1.678 -3.442
43 HG SER 9 HG SER 9 14.374 -1.694 -1.752
44 H GLU 10 H GLU 10 10.627 -1.963 0.205
45 HA GLU 10 HA GLU 10 12.430 -3.596 1.896
46 1HB GLU 10 2HB GLU 10 11.859 -2.103 3.680
47 2HB GLU 10 1HB GLU 10 12.074 -1.090 2.253
48 1HG GLU 10 2HG GLU 10 9.509 -1.461 1.911
49 2HG GLU 10 1HG GLU 10 9.522 -1.905 3.619
50 H TYR 11 H TYR 11 10.381 -5.017 0.538
51 HA TYR 11 HA TYR 11 8.766 -5.923 2.877
52 1HB TYR 11 2HB TYR 11 7.802 -5.187 0.111
53 2HB TYR 11 1HB TYR 11 6.883 -6.290 1.133
54 HD1 TYR 11 1HD TYR 11 5.462 -5.447 2.824
55 HD2 TYR 11 2HD TYR 11 8.475 -2.909 1.112
56 HE1 TYR 11 1HE TYR 11 4.543 -3.512 4.076
57 HE2 TYR 11 2HE TYR 11 7.557 -0.975 2.363
58 HH TYR 11 HH TYR 11 5.927 -0.248 3.688
59 HA PRO 12 HA PRO 12 6.893 -7.308 2.619
60 1HB PRO 12 2HB PRO 12 6.450 -9.718 3.851
61 2HB PRO 12 1HB PRO 12 5.901 -9.346 2.208
62 1HG PRO 12 2HG PRO 12 8.151 -11.089 3.079
63 2HG PRO 12 1HG PRO 12 7.204 -11.144 1.584
64 1HD PRO 12 2HD PRO 12 9.813 -10.053 1.882
65 2HD PRO 12 1HD PRO 12 8.751 -9.875 0.469
66 H LYS 13 H LYS 13 6.494 -6.995 4.921
67 HA LYS 13 HA LYS 13 8.995 -6.987 6.515
68 1HB LYS 13 2HB LYS 13 6.310 -5.630 6.793
69 2HB LYS 13 1HB LYS 13 7.471 -5.650 8.120
70 1HG LYS 13 2HG LYS 13 8.966 -4.278 7.019
71 2HG LYS 13 1HG LYS 13 8.465 -4.839 5.422
72 1HD LYS 13 2HD LYS 13 7.717 -2.524 5.787
73 2HD LYS 13 1HD LYS 13 6.330 -3.609 5.670
74 1HE LYS 13 2HE LYS 13 5.653 -2.739 7.642
75 2HE LYS 13 1HE LYS 13 6.964 -3.665 8.375
76 1HZ LYS 13 1HZ LYS 13 7.245 -0.914 7.295
77 2HZ LYS 13 2HZ LYS 13 8.430 -1.803 8.125
78 3HZ LYS 13 3HZ LYS 13 7.030 -1.285 8.935
79 HA PRO 14 HA PRO 14 7.685 -10.262 9.132
80 1HB PRO 14 2HB PRO 14 8.762 -9.454 11.529
81 2HB PRO 14 1HB PRO 14 9.727 -10.094 10.188
82 1HG PRO 14 2HG PRO 14 9.464 -7.277 11.131
83 2HG PRO 14 1HG PRO 14 10.807 -8.054 10.275
84 1HD PRO 14 2HD PRO 14 8.865 -6.353 9.116
85 2HD PRO 14 1HD PRO 14 10.005 -7.391 8.233
86 H ALA 15 H ALA 15 6.628 -7.046 9.725
87 HA ALA 15 HA ALA 15 4.155 -7.984 10.934
88 1HB ALA 15 1HB ALA 15 4.662 -7.726 13.110
89 2HB ALA 15 2HB ALA 15 5.098 -6.043 12.812
90 3HB ALA 15 3HB ALA 15 6.319 -7.308 12.674
91 H CYS 16 H CYS 16 2.544 -6.347 10.839
92 HA CYS 16 HA CYS 16 3.242 -4.099 9.089
93 1HB CYS 16 2HB CYS 16 1.062 -5.560 9.050
94 2HB CYS 16 1HB CYS 16 0.528 -4.475 10.332
95 H THR 17 H THR 17 3.547 -2.028 9.750
96 HA THR 17 HA THR 17 3.675 -1.472 12.614
97 HB THR 17 HB THR 17 3.899 0.948 11.169
98 HG1 THR 17 1HG THR 17 4.890 0.455 9.372
99 1HG2 THR 17 1HG2 THR 17 6.172 0.862 11.908
100 2HG2 THR 17 2HG2 THR 17 6.149 -0.899 11.982
101 3HG2 THR 17 3HG2 THR 17 5.218 0.043 13.145
102 H MET 18 H MET 18 2.555 0.491 13.527
103 HA MET 18 HA MET 18 -0.277 0.461 12.666
104 1HB MET 18 2HB MET 18 1.150 1.524 15.112
105 2HB MET 18 1HB MET 18 -0.551 1.863 14.792
106 1HG MET 18 2HG MET 18 0.106 -0.970 14.471
107 2HG MET 18 1HG MET 18 0.429 -0.381 16.101
108 1HE MET 18 1HE MET 18 -2.668 -1.163 13.483
109 2HE MET 18 2HE MET 18 -3.134 -2.165 14.855
110 3HE MET 18 3HE MET 18 -1.474 -2.208 14.265
111 H GLU 19 H GLU 19 2.081 1.950 11.317
112 HA GLU 19 HA GLU 19 1.736 4.752 11.661
113 1HB GLU 19 2HB GLU 19 2.667 4.934 9.351
114 2HB GLU 19 1HB GLU 19 3.608 3.846 10.374
115 1HG GLU 19 2HG GLU 19 2.520 1.905 9.393
116 2HG GLU 19 1HG GLU 19 1.441 2.939 8.458
117 H TYR 20 H TYR 20 0.491 6.258 10.342
118 HA TYR 20 HA TYR 20 -2.039 5.019 9.362
119 1HB TYR 20 2HB TYR 20 -1.684 7.055 11.163
120 2HB TYR 20 1HB TYR 20 -1.957 7.946 9.667
121 HD1 TYR 20 1HD TYR 20 -4.012 7.445 8.286
122 HD2 TYR 20 2HD TYR 20 -3.458 5.899 12.255
123 HE1 TYR 20 1HE TYR 20 -6.439 6.956 8.434
124 HE2 TYR 20 2HE TYR 20 -5.884 5.408 12.403
125 HH TYR 20 HH TYR 20 -7.777 5.051 10.983
126 H ARG 21 H ARG 21 -2.281 4.925 7.209
127 HA ARG 21 HA ARG 21 -1.526 7.176 5.501
128 1HB ARG 21 2HB ARG 21 0.126 4.720 5.683
129 2HB ARG 21 1HB ARG 21 -0.263 5.257 4.048
130 1HG ARG 21 2HG ARG 21 0.980 6.969 6.221
131 2HG ARG 21 1HG ARG 21 1.830 6.298 4.828
132 1HD ARG 21 2HD ARG 21 1.202 8.066 3.591
133 2HD ARG 21 1HD ARG 21 -0.491 7.658 3.868
134 HE ARG 21 HE ARG 21 0.041 8.961 6.157
135 1HH1 ARG 21 1HH2 ARG 21 -0.188 9.835 2.926
136 2HH1 ARG 21 2HH2 ARG 21 0.411 11.446 3.134
137 1HH2 ARG 21 1HH1 ARG 21 1.335 10.964 6.440
138 2HH2 ARG 21 2HH1 ARG 21 1.271 12.085 5.121
139 HA PRO 22 HA PRO 22 -5.158 5.018 3.922
140 1HB PRO 22 2HB PRO 22 -6.196 7.244 2.689
141 2HB PRO 22 1HB PRO 22 -6.430 6.875 4.407
142 1HG PRO 22 2HG PRO 22 -4.644 8.909 3.146
143 2HG PRO 22 1HG PRO 22 -5.398 8.918 4.749
144 1HD PRO 22 2HD PRO 22 -2.703 8.272 4.206
145 2HD PRO 22 1HD PRO 22 -3.567 7.931 5.721
146 H LEU 23 H LEU 23 -4.453 3.725 2.227
147 HA LEU 23 HA LEU 23 -3.620 5.133 -0.286
148 1HB LEU 23 2HB LEU 23 -2.730 2.490 0.890
149 2HB LEU 23 1HB LEU 23 -2.501 2.875 -0.824
150 HG LEU 23 HG LEU 23 -1.635 4.954 1.123
151 1HD1 LEU 23 1HD1 LEU 23 0.521 3.078 0.741
152 2HD1 LEU 23 2HD1 LEU 23 -0.842 2.259 1.504
153 3HD1 LEU 23 3HD1 LEU 23 -0.147 3.697 2.252
154 1HD2 LEU 23 1HD2 LEU 23 -1.081 5.534 -1.049
155 2HD2 LEU 23 2HD2 LEU 23 -0.859 3.857 -1.550
156 3HD2 LEU 23 3HD2 LEU 23 0.383 4.663 -0.597
157 H CYS 24 H CYS 24 -5.345 5.054 -1.681
158 HA CYS 24 HA CYS 24 -7.215 2.783 -1.480
159 1HB CYS 24 2HB CYS 24 -7.333 5.493 -2.541
160 2HB CYS 24 1HB CYS 24 -7.955 4.314 -3.698
161 H GLY 25 H GLY 25 -6.133 0.999 -2.326
162 1HA GLY 25 2HA GLY 25 -4.274 0.860 -4.382
163 2HA GLY 25 1HA GLY 25 -5.423 -0.435 -4.051
164 H SER 26 H SER 26 -4.397 0.475 -6.664
165 HA SER 26 HA SER 26 -6.337 2.032 -8.071
166 1HB SER 26 2HB SER 26 -3.970 1.113 -8.787
167 2HB SER 26 1HB SER 26 -4.908 -0.242 -9.406
168 HG SER 26 HG SER 26 -4.536 1.625 -10.854
169 H ASP 27 H ASP 27 -6.617 -1.035 -6.664
170 HA ASP 27 HA ASP 27 -8.599 -2.052 -8.580
171 1HB ASP 27 2HB ASP 27 -8.672 -4.006 -7.184
172 2HB ASP 27 1HB ASP 27 -6.978 -3.521 -7.285
173 H ASN 28 H ASN 28 -8.879 0.470 -6.749
174 HA ASN 28 HA ASN 28 -10.726 1.554 -5.785
175 1HB ASN 28 2HB ASN 28 -11.840 -0.338 -7.512
176 2HB ASN 28 1HB ASN 28 -12.643 -0.637 -5.970
177 1HD2 ASN 28 1HD2 ASN 28 -11.438 2.475 -7.321
178 2HD2 ASN 28 2HD2 ASN 28 -12.950 3.244 -7.291
179 H LYS 29 H LYS 29 -8.891 -0.055 -4.222
180 HA LYS 29 HA LYS 29 -10.750 -0.897 -2.029
181 1HB LYS 29 2HB LYS 29 -9.369 -2.747 -3.149
182 2HB LYS 29 1HB LYS 29 -7.951 -1.974 -2.435
183 1HG LYS 29 2HG LYS 29 -8.463 -2.682 -0.339
184 2HG LYS 29 1HG LYS 29 -10.186 -2.378 -0.557
185 1HD LYS 29 2HD LYS 29 -9.835 -4.470 -2.260
186 2HD LYS 29 1HD LYS 29 -8.632 -4.850 -1.030
187 1HE LYS 29 2HE LYS 29 -10.394 -5.788 0.068
188 2HE LYS 29 1HE LYS 29 -10.745 -4.123 0.534
189 1HZ LYS 29 1HZ LYS 29 -11.747 -4.920 -2.064
190 2HZ LYS 29 2HZ LYS 29 -12.497 -4.014 -0.839
191 3HZ LYS 29 3HZ LYS 29 -12.467 -5.710 -0.748
192 H THR 30 H THR 30 -9.831 -0.543 0.166
193 HA THR 30 HA THR 30 -8.053 1.860 0.171
194 HB THR 30 HB THR 30 -10.220 0.941 2.072
195 HG1 THR 30 1HG THR 30 -10.462 2.353 0.089
196 1HG2 THR 30 1HG2 THR 30 -8.148 3.116 2.482
197 2HG2 THR 30 2HG2 THR 30 -8.310 1.638 3.434
198 3HG2 THR 30 3HG2 THR 30 -9.570 2.872 3.497
199 H TYR 31 H TYR 31 -6.262 1.887 1.596
200 HA TYR 31 HA TYR 31 -5.629 -0.731 2.881
201 1HB TYR 31 2HB TYR 31 -3.954 1.162 1.264
202 2HB TYR 31 1HB TYR 31 -3.205 0.094 2.445
203 HD1 TYR 31 1HD TYR 31 -3.590 0.278 -0.869
204 HD2 TYR 31 2HD TYR 31 -4.745 -2.346 2.327
205 HE1 TYR 31 1HE TYR 31 -3.773 -1.600 -2.477
206 HE2 TYR 31 2HE TYR 31 -4.927 -4.226 0.720
207 HH TYR 31 HH TYR 31 -3.844 -4.757 -1.618
208 H GLY 32 H GLY 32 -4.340 -0.583 4.824
209 1HA GLY 32 2HA GLY 32 -5.102 1.711 6.460
210 2HA GLY 32 1HA GLY 32 -4.206 0.297 7.013
211 H ASN 33 H ASN 33 -2.238 0.690 4.714
212 HA ASN 33 HA ASN 33 -1.005 3.241 4.943
213 1HB ASN 33 2HB ASN 33 0.896 2.561 6.490
214 2HB ASN 33 1HB ASN 33 -0.661 2.839 7.268
215 1HD2 ASN 33 1HD2 ASN 33 0.193 1.343 9.012
216 2HD2 ASN 33 2HD2 ASN 33 0.078 -0.333 8.773
217 H LYS 34 H LYS 34 1.453 3.038 4.430
218 HA LYS 34 HA LYS 34 1.780 1.707 1.961
219 1HB LYS 34 2HB LYS 34 3.405 3.309 3.728
220 2HB LYS 34 1HB LYS 34 4.353 1.952 3.116
221 1HG LYS 34 2HG LYS 34 3.364 2.577 0.801
222 2HG LYS 34 1HG LYS 34 2.950 4.116 1.554
223 1HD LYS 34 2HD LYS 34 5.721 2.900 1.343
224 2HD LYS 34 1HD LYS 34 5.128 4.326 0.488
225 1HE LYS 34 2HE LYS 34 4.949 5.582 2.518
226 2HE LYS 34 1HE LYS 34 5.194 4.143 3.507
227 1HZ LYS 34 1HZ LYS 34 7.345 4.382 1.728
228 2HZ LYS 34 2HZ LYS 34 7.362 4.486 3.423
229 3HZ LYS 34 3HZ LYS 34 7.127 5.882 2.486
230 H CYS 35 H CYS 35 1.832 0.408 5.125
231 HA CYS 35 HA CYS 35 3.644 -1.796 4.609
232 1HB CYS 35 2HB CYS 35 3.363 -1.258 6.887
233 2HB CYS 35 1HB CYS 35 1.618 -1.105 6.729
234 H ASN 36 H ASN 36 0.103 -1.458 4.808
235 HA ASN 36 HA ASN 36 -0.401 -4.147 3.848
236 1HB ASN 36 2HB ASN 36 -1.882 -2.122 5.082
237 2HB ASN 36 1HB ASN 36 -2.576 -2.250 3.469
238 1HD2 ASN 36 1HD2 ASN 36 -1.628 -4.315 6.264
239 2HD2 ASN 36 2HD2 ASN 36 -2.816 -5.496 5.985
240 H PHE 37 H PHE 37 0.477 -1.219 2.334
241 HA PHE 37 HA PHE 37 -0.875 -1.841 -0.215
242 1HB PHE 37 2HB PHE 37 -0.613 0.521 0.556
243 2HB PHE 37 1HB PHE 37 1.137 0.333 0.442
244 HD1 PHE 37 1HD PHE 37 2.138 1.101 -1.508
245 HD2 PHE 37 2HD PHE 37 -1.882 -0.400 -1.675
246 HE1 PHE 37 1HE PHE 37 2.050 1.600 -3.936
247 HE2 PHE 37 2HE PHE 37 -1.974 0.101 -4.103
248 HZ PHE 37 HZ PHE 37 -0.005 1.100 -5.231
249 H CYS 38 H CYS 38 2.457 -1.644 1.024
250 HA CYS 38 HA CYS 38 3.647 -2.527 -1.460
251 1HB CYS 38 2HB CYS 38 4.699 -2.383 1.375
252 2HB CYS 38 1HB CYS 38 5.687 -2.869 -0.002
253 H ASN 39 H ASN 39 2.494 -4.128 1.458
254 HA ASN 39 HA ASN 39 3.664 -6.700 0.782
255 1HB ASN 39 2HB ASN 39 1.753 -5.663 2.821
256 2HB ASN 39 1HB ASN 39 1.650 -7.383 2.440
257 1HD2 ASN 39 1HD2 ASN 39 3.085 -5.366 4.611
258 2HD2 ASN 39 2HD2 ASN 39 4.513 -6.228 4.921
259 H ALA 40 H ALA 40 0.446 -5.235 0.439
260 HA ALA 40 HA ALA 40 -0.780 -7.498 -0.816
261 1HB ALA 40 1HB ALA 40 -1.448 -4.659 -1.582
262 2HB ALA 40 2HB ALA 40 -1.857 -5.263 0.024
263 3HB ALA 40 3HB ALA 40 -2.530 -6.038 -1.410
264 H VAL 41 H VAL 41 1.470 -5.085 -1.855
265 HA VAL 41 HA VAL 41 1.131 -5.589 -4.716
266 HB VAL 41 HB VAL 41 3.222 -4.109 -3.101
267 1HG1 VAL 41 1HG1 VAL 41 2.972 -4.360 -6.116
268 2HG1 VAL 41 2HG1 VAL 41 4.236 -5.101 -5.135
269 3HG1 VAL 41 3HG1 VAL 41 4.130 -3.345 -5.259
270 1HG2 VAL 41 1HG2 VAL 41 0.717 -3.326 -3.663
271 2HG2 VAL 41 2HG2 VAL 41 1.482 -2.859 -5.182
272 3HG2 VAL 41 3HG2 VAL 41 2.065 -2.189 -3.658
273 H VAL 42 H VAL 42 3.180 -6.747 -2.086
274 HA VAL 42 HA VAL 42 5.098 -8.098 -3.766
275 HB VAL 42 HB VAL 42 4.237 -8.584 -0.898
276 1HG1 VAL 42 1HG1 VAL 42 6.382 -9.862 -2.604
277 2HG1 VAL 42 2HG1 VAL 42 5.138 -10.658 -1.641
278 3HG1 VAL 42 3HG1 VAL 42 6.480 -9.838 -0.843
279 1HG2 VAL 42 1HG2 VAL 42 5.618 -6.863 -0.438
280 2HG2 VAL 42 2HG2 VAL 42 5.895 -6.629 -2.164
281 3HG2 VAL 42 3HG2 VAL 42 6.944 -7.705 -1.241
282 H GLU 43 H GLU 43 1.907 -8.878 -2.574
283 HA GLU 43 HA GLU 43 2.087 -11.708 -3.310
284 1HB GLU 43 2HB GLU 43 -0.309 -11.767 -2.751
285 2HB GLU 43 1HB GLU 43 0.595 -10.946 -1.480
286 1HG GLU 43 2HG GLU 43 -0.257 -8.862 -2.026
287 2HG GLU 43 1HG GLU 43 -0.513 -9.294 -3.716
288 H SER 44 H SER 44 1.114 -8.705 -4.801
289 HA SER 44 HA SER 44 -0.153 -10.105 -7.078
290 1HB SER 44 2HB SER 44 -0.183 -7.410 -5.974
291 2HB SER 44 1HB SER 44 0.102 -7.392 -7.710
292 HG SER 44 HG SER 44 -1.760 -9.176 -7.334
293 H ASN 45 H ASN 45 2.954 -9.356 -6.140
294 HA ASN 45 HA ASN 45 4.985 -9.358 -7.302
295 1HB ASN 45 2HB ASN 45 3.138 -10.877 -8.905
296 2HB ASN 45 1HB ASN 45 4.192 -9.939 -9.960
297 1HD2 ASN 45 1HD2 ASN 45 5.577 -11.681 -10.631
298 2HD2 ASN 45 2HD2 ASN 45 6.580 -12.521 -9.549
299 H GLY 46 H GLY 46 2.875 -7.063 -7.427
300 1HA GLY 46 2HA GLY 46 3.543 -4.805 -8.086
301 2HA GLY 46 1HA GLY 46 4.386 -5.502 -9.468
302 H THR 47 H THR 47 1.403 -7.030 -9.036
303 HA THR 47 HA THR 47 0.336 -5.658 -11.412
304 HB THR 47 HB THR 47 -1.493 -7.347 -11.247
305 HG1 THR 47 1HG THR 47 -1.790 -8.117 -9.332
306 1HG2 THR 47 1HG2 THR 47 1.389 -8.218 -11.164
307 2HG2 THR 47 2HG2 THR 47 0.320 -8.076 -12.560
308 3HG2 THR 47 3HG2 THR 47 0.092 -9.390 -11.405
309 H LEU 48 H LEU 48 -0.013 -5.496 -7.992
310 HA LEU 48 HA LEU 48 -2.626 -4.085 -8.179
311 1HB LEU 48 2HB LEU 48 -2.408 -5.711 -6.371
312 2HB LEU 48 1HB LEU 48 -0.937 -4.923 -5.800
313 HG LEU 48 HG LEU 48 -2.700 -2.821 -5.867
314 1HD1 LEU 48 1HD1 LEU 48 -4.810 -3.524 -4.982
315 2HD1 LEU 48 2HD1 LEU 48 -4.239 -5.178 -4.758
316 3HD1 LEU 48 3HD1 LEU 48 -4.505 -4.551 -6.384
317 1HD2 LEU 48 1HD2 LEU 48 -2.959 -3.926 -3.302
318 2HD2 LEU 48 2HD2 LEU 48 -1.720 -2.793 -3.833
319 3HD2 LEU 48 3HD2 LEU 48 -1.413 -4.528 -3.895
320 H THR 49 H THR 49 -2.414 -1.999 -8.763
321 HA THR 49 HA THR 49 -0.065 -0.453 -7.798
322 HB THR 49 HB THR 49 -0.793 1.232 -9.469
323 HG1 THR 49 1HG THR 49 -2.636 -0.570 -10.505
324 1HG2 THR 49 1HG2 THR 49 0.276 0.106 -11.112
325 2HG2 THR 49 2HG2 THR 49 -0.922 -1.189 -11.122
326 3HG2 THR 49 3HG2 THR 49 0.388 -1.207 -9.941
327 H LEU 50 H LEU 50 -1.508 2.071 -8.047
328 HA LEU 50 HA LEU 50 -3.456 1.908 -5.800
329 1HB LEU 50 2HB LEU 50 -1.523 2.546 -4.621
330 2HB LEU 50 1HB LEU 50 -0.931 3.550 -5.946
331 HG LEU 50 HG LEU 50 -3.562 4.402 -5.028
332 1HD1 LEU 50 1HD1 LEU 50 -2.124 3.424 -2.949
333 2HD1 LEU 50 2HD1 LEU 50 -3.209 4.809 -2.804
334 3HD1 LEU 50 3HD1 LEU 50 -1.478 5.062 -3.021
335 1HD2 LEU 50 1HD2 LEU 50 -2.054 5.722 -6.457
336 2HD2 LEU 50 2HD2 LEU 50 -0.844 5.742 -5.173
337 3HD2 LEU 50 3HD2 LEU 50 -2.381 6.574 -4.950
338 H SER 51 H SER 51 -5.213 3.188 -6.205
339 HA SER 51 HA SER 51 -5.354 4.672 -8.698
340 1HB SER 51 2HB SER 51 -7.209 3.375 -7.144
341 2HB SER 51 1HB SER 51 -7.533 5.062 -6.759
342 HG SER 51 HG SER 51 -8.453 5.189 -8.632
343 H HIS 52 H HIS 52 -5.013 5.516 -5.267
344 HA HIS 52 HA HIS 52 -3.959 8.073 -5.832
345 1HB HIS 52 2HB HIS 52 -5.724 9.574 -5.677
346 2HB HIS 52 1HB HIS 52 -6.513 8.244 -6.518
347 HD1 HIS 52 1HD HIS 52 -8.023 6.631 -5.009
348 HD2 HIS 52 2HD HIS 52 -6.772 10.144 -3.146
349 HE1 HIS 52 1HE HIS 52 -9.468 6.905 -2.946
350 H PHE 53 H PHE 53 -2.676 8.190 -4.122
351 HA PHE 53 HA PHE 53 -2.770 6.841 -1.712
352 1HB PHE 53 2HB PHE 53 -1.566 9.404 -2.607
353 2HB PHE 53 1HB PHE 53 -1.705 9.189 -0.864
354 HD1 PHE 53 1HD PHE 53 -0.830 7.058 -3.828
355 HD2 PHE 53 2HD PHE 53 0.168 8.272 0.167
356 HE1 PHE 53 1HE PHE 53 1.134 5.545 -3.861
357 HE2 PHE 53 2HE PHE 53 2.135 6.760 0.135
358 HZ PHE 53 HZ PHE 53 2.615 5.396 -1.879
359 H GLY 54 H GLY 54 -4.920 6.706 -0.878
360 1HA GLY 54 2HA GLY 54 -5.723 8.400 1.137
361 2HA GLY 54 1HA GLY 54 -6.434 9.135 -0.300
362 H LYS 55 H LYS 55 -8.061 8.118 1.733
363 HA LYS 55 HA LYS 55 -8.914 5.406 1.177
364 1HB LYS 55 2HB LYS 55 -9.491 6.209 3.331
365 2HB LYS 55 1HB LYS 55 -10.093 7.739 2.698
366 1HG LYS 55 2HG LYS 55 -11.987 6.562 1.641
367 2HG LYS 55 1HG LYS 55 -11.386 5.027 2.269
368 1HD LYS 55 2HD LYS 55 -11.501 6.139 4.591
369 2HD LYS 55 1HD LYS 55 -12.489 7.374 3.811
370 1HE LYS 55 2HE LYS 55 -13.514 4.892 2.932
371 2HE LYS 55 1HE LYS 55 -13.258 4.727 4.669
372 1HZ LYS 55 1HZ LYS 55 -15.455 5.721 3.835
373 2HZ LYS 55 2HZ LYS 55 -14.552 7.136 3.573
374 3HZ LYS 55 3HZ LYS 55 -14.669 6.475 5.134
375 H CYS 56 H CYS 56 -11.226 4.987 0.382
376 HA CYS 56 HA CYS 56 -11.678 6.684 -2.030
377 1HB CYS 56 2HB CYS 56 -12.370 3.817 -1.367
378 2HB CYS 56 1HB CYS 56 -13.087 4.656 -2.743
Start of MODEL 13
1 1H ALA 3 1HT ALA 3 2.583 5.468 -11.364
2 2H ALA 3 2HT ALA 3 3.675 6.374 -12.299
3 3H ALA 3 3HT ALA 3 2.175 5.912 -12.950
4 HA ALA 3 HA ALA 3 2.091 8.226 -12.348
5 1HB ALA 3 1HB ALA 3 0.507 7.305 -10.103
6 2HB ALA 3 2HB ALA 3 0.323 6.216 -11.478
7 3HB ALA 3 3HB ALA 3 -0.035 7.933 -11.659
8 H VAL 4 H VAL 4 2.051 6.555 -9.196
9 HA VAL 4 HA VAL 4 4.206 8.400 -8.286
10 HB VAL 4 HB VAL 4 1.996 7.793 -6.378
11 1HG1 VAL 4 1HG1 VAL 4 4.107 9.823 -6.837
12 2HG1 VAL 4 2HG1 VAL 4 3.478 9.176 -5.323
13 3HG1 VAL 4 3HG1 VAL 4 2.591 10.437 -6.178
14 1HG2 VAL 4 1HG2 VAL 4 1.760 9.596 -8.789
15 2HG2 VAL 4 2HG2 VAL 4 0.870 9.944 -7.307
16 3HG2 VAL 4 3HG2 VAL 4 0.589 8.431 -8.169
17 H SER 5 H SER 5 2.179 5.660 -7.220
18 HA SER 5 HA SER 5 2.764 3.700 -6.067
19 1HB SER 5 2HB SER 5 4.596 2.548 -6.926
20 2HB SER 5 1HB SER 5 4.295 3.709 -8.216
21 HG SER 5 HG SER 5 6.222 3.810 -6.143
22 H VAL 6 H VAL 6 4.127 2.896 -4.245
23 HA VAL 6 HA VAL 6 5.197 5.197 -2.671
24 HB VAL 6 HB VAL 6 4.900 3.528 -0.730
25 1HG1 VAL 6 1HG1 VAL 6 2.639 4.740 -2.323
26 2HG1 VAL 6 2HG1 VAL 6 3.384 5.345 -0.845
27 3HG1 VAL 6 3HG1 VAL 6 2.346 3.922 -0.788
28 1HG2 VAL 6 1HG2 VAL 6 4.654 1.573 -2.350
29 2HG2 VAL 6 2HG2 VAL 6 3.051 2.204 -2.730
30 3HG2 VAL 6 3HG2 VAL 6 3.422 1.672 -1.091
31 H ASP 7 H ASP 7 6.944 4.374 -1.021
32 HA ASP 7 HA ASP 7 9.039 3.078 -2.658
33 1HB ASP 7 2HB ASP 7 9.384 5.219 -1.280
34 2HB ASP 7 1HB ASP 7 9.362 4.174 0.138
35 H CYS 8 H CYS 8 8.856 0.869 -2.590
36 HA CYS 8 HA CYS 8 8.221 -0.473 -0.025
37 1HB CYS 8 2HB CYS 8 8.642 -1.538 -2.836
38 2HB CYS 8 1HB CYS 8 8.265 -2.548 -1.441
39 H SER 9 H SER 9 10.451 0.662 0.544
40 HA SER 9 HA SER 9 12.958 0.029 -0.273
41 1HB SER 9 2HB SER 9 12.547 -0.480 2.625
42 2HB SER 9 1HB SER 9 13.692 0.591 1.821
43 HG SER 9 HG SER 9 11.870 1.948 1.335
44 H GLU 10 H GLU 10 11.534 -2.092 2.252
45 HA GLU 10 HA GLU 10 12.614 -4.425 0.755
46 1HB GLU 10 2HB GLU 10 13.142 -5.148 3.349
47 2HB GLU 10 1HB GLU 10 14.343 -4.510 2.227
48 1HG GLU 10 2HG GLU 10 13.888 -2.221 3.039
49 2HG GLU 10 1HG GLU 10 12.689 -2.862 4.165
50 H TYR 11 H TYR 11 10.352 -4.818 0.304
51 HA TYR 11 HA TYR 11 8.816 -5.793 2.677
52 1HB TYR 11 2HB TYR 11 8.013 -4.441 0.137
53 2HB TYR 11 1HB TYR 11 6.915 -5.655 0.793
54 HD1 TYR 11 1HD TYR 11 5.502 -5.143 2.624
55 HD2 TYR 11 2HD TYR 11 8.826 -2.577 1.704
56 HE1 TYR 11 1HE TYR 11 4.695 -3.497 4.297
57 HE2 TYR 11 2HE TYR 11 8.020 -0.934 3.377
58 HH TYR 11 HH TYR 11 6.561 -0.561 5.032
59 HA PRO 12 HA PRO 12 6.627 -6.668 2.343
60 1HB PRO 12 2HB PRO 12 5.702 -9.000 3.470
61 2HB PRO 12 1HB PRO 12 5.195 -8.412 1.877
62 1HG PRO 12 2HG PRO 12 7.042 -10.653 2.548
63 2HG PRO 12 1HG PRO 12 6.047 -10.414 1.102
64 1HD PRO 12 2HD PRO 12 8.834 -9.940 1.297
65 2HD PRO 12 1HD PRO 12 7.772 -9.412 -0.025
66 H LYS 13 H LYS 13 6.183 -6.745 4.773
67 HA LYS 13 HA LYS 13 8.647 -7.529 6.279
68 1HB LYS 13 2HB LYS 13 6.854 -5.122 6.726
69 2HB LYS 13 1HB LYS 13 8.239 -5.561 7.726
70 1HG LYS 13 2HG LYS 13 9.730 -5.340 5.780
71 2HG LYS 13 1HG LYS 13 8.352 -4.919 4.764
72 1HD LYS 13 2HD LYS 13 8.020 -2.857 5.854
73 2HD LYS 13 1HD LYS 13 8.968 -3.346 7.259
74 1HE LYS 13 2HE LYS 13 10.881 -2.615 6.318
75 2HE LYS 13 1HE LYS 13 10.548 -3.494 4.824
76 1HZ LYS 13 1HZ LYS 13 8.827 -1.244 5.142
77 2HZ LYS 13 2HZ LYS 13 9.846 -1.647 3.843
78 3HZ LYS 13 3HZ LYS 13 10.459 -0.781 5.171
79 HA PRO 14 HA PRO 14 5.820 -9.814 8.780
80 1HB PRO 14 2HB PRO 14 7.532 -10.303 10.873
81 2HB PRO 14 1HB PRO 14 7.616 -11.150 9.319
82 1HG PRO 14 2HG PRO 14 9.411 -9.030 10.399
83 2HG PRO 14 1HG PRO 14 9.754 -10.288 9.199
84 1HD PRO 14 2HD PRO 14 9.215 -7.556 8.649
85 2HD PRO 14 1HD PRO 14 9.278 -8.875 7.462
86 H ALA 15 H ALA 15 6.523 -6.681 9.321
87 HA ALA 15 HA ALA 15 4.782 -6.570 11.705
88 1HB ALA 15 1HB ALA 15 6.332 -5.137 12.964
89 2HB ALA 15 2HB ALA 15 7.529 -5.280 11.677
90 3HB ALA 15 3HB ALA 15 7.085 -6.697 12.629
91 H CYS 16 H CYS 16 3.313 -4.986 11.324
92 HA CYS 16 HA CYS 16 4.023 -2.872 9.348
93 1HB CYS 16 2HB CYS 16 1.412 -4.052 10.278
94 2HB CYS 16 1HB CYS 16 1.448 -2.470 9.504
95 H THR 17 H THR 17 2.249 -0.885 10.053
96 HA THR 17 HA THR 17 2.881 -0.265 12.900
97 HB THR 17 HB THR 17 3.087 2.189 11.673
98 HG1 THR 17 1HG THR 17 3.188 1.433 9.625
99 1HG2 THR 17 1HG2 THR 17 5.421 0.314 12.065
100 2HG2 THR 17 2HG2 THR 17 4.544 1.030 13.418
101 3HG2 THR 17 3HG2 THR 17 5.392 2.066 12.270
102 H MET 18 H MET 18 1.501 1.553 13.730
103 HA MET 18 HA MET 18 -1.248 1.235 12.746
104 1HB MET 18 2HB MET 18 -0.302 1.533 15.232
105 2HB MET 18 1HB MET 18 -0.559 3.236 14.856
106 1HG MET 18 2HG MET 18 -2.831 1.731 13.944
107 2HG MET 18 1HG MET 18 -2.509 1.316 15.628
108 1HE MET 18 1HE MET 18 -4.309 4.073 13.382
109 2HE MET 18 2HE MET 18 -5.342 4.106 14.807
110 3HE MET 18 3HE MET 18 -4.814 2.561 14.145
111 H GLU 19 H GLU 19 1.121 2.918 11.452
112 HA GLU 19 HA GLU 19 0.444 5.638 11.385
113 1HB GLU 19 2HB GLU 19 2.429 4.706 10.249
114 2HB GLU 19 1HB GLU 19 1.383 3.913 9.070
115 1HG GLU 19 2HG GLU 19 1.261 5.800 7.851
116 2HG GLU 19 1HG GLU 19 0.677 6.700 9.251
117 H TYR 20 H TYR 20 -1.490 6.568 10.902
118 HA TYR 20 HA TYR 20 -3.529 5.076 9.424
119 1HB TYR 20 2HB TYR 20 -3.605 7.098 11.293
120 2HB TYR 20 1HB TYR 20 -4.006 7.932 9.794
121 HD1 TYR 20 1HD TYR 20 -4.740 4.524 11.193
122 HD2 TYR 20 2HD TYR 20 -6.295 8.144 9.481
123 HE1 TYR 20 1HE TYR 20 -7.028 3.571 11.254
124 HE2 TYR 20 2HE TYR 20 -8.583 7.190 9.542
125 HH TYR 20 HH TYR 20 -9.729 5.176 9.713
126 H ARG 21 H ARG 21 -2.835 4.844 7.335
127 HA ARG 21 HA ARG 21 -2.700 7.347 5.729
128 1HB ARG 21 2HB ARG 21 -0.453 5.889 6.297
129 2HB ARG 21 1HB ARG 21 -0.972 5.148 4.783
130 1HG ARG 21 2HG ARG 21 0.456 6.962 4.164
131 2HG ARG 21 1HG ARG 21 -1.190 7.518 3.854
132 1HD ARG 21 2HD ARG 21 -0.589 8.129 6.571
133 2HD ARG 21 1HD ARG 21 0.777 8.669 5.594
134 HE ARG 21 HE ARG 21 -1.119 9.785 4.155
135 1HH1 ARG 21 1HH2 ARG 21 -0.014 10.962 6.869
136 2HH1 ARG 21 2HH2 ARG 21 -1.492 11.587 7.519
137 1HH2 ARG 21 1HH1 ARG 21 -3.512 9.868 5.284
138 2HH2 ARG 21 2HH1 ARG 21 -3.475 10.968 6.622
139 HA PRO 22 HA PRO 22 -5.717 4.649 3.749
140 1HB PRO 22 2HB PRO 22 -6.970 6.693 2.405
141 2HB PRO 22 1HB PRO 22 -7.328 6.260 4.085
142 1HG PRO 22 2HG PRO 22 -5.780 8.583 3.031
143 2HG PRO 22 1HG PRO 22 -6.692 8.436 4.542
144 1HD PRO 22 2HD PRO 22 -3.886 8.259 4.297
145 2HD PRO 22 1HD PRO 22 -4.838 7.750 5.708
146 H LEU 23 H LEU 23 -5.237 3.568 1.888
147 HA LEU 23 HA LEU 23 -3.992 5.095 -0.357
148 1HB LEU 23 2HB LEU 23 -3.146 2.455 0.846
149 2HB LEU 23 1HB LEU 23 -2.663 2.938 -0.778
150 HG LEU 23 HG LEU 23 -2.197 4.654 1.670
151 1HD1 LEU 23 1HD1 LEU 23 -0.087 3.714 1.952
152 2HD1 LEU 23 2HD1 LEU 23 -0.016 3.120 0.294
153 3HD1 LEU 23 3HD1 LEU 23 -1.019 2.290 1.485
154 1HD2 LEU 23 1HD2 LEU 23 -1.388 4.737 -1.230
155 2HD2 LEU 23 2HD2 LEU 23 -0.388 5.519 -0.006
156 3HD2 LEU 23 3HD2 LEU 23 -2.063 6.025 -0.233
157 H CYS 24 H CYS 24 -5.466 4.992 -1.996
158 HA CYS 24 HA CYS 24 -7.287 2.675 -2.169
159 1HB CYS 24 2HB CYS 24 -8.014 5.102 -2.561
160 2HB CYS 24 1HB CYS 24 -7.125 5.017 -4.082
161 H GLY 25 H GLY 25 -5.606 1.104 -2.712
162 1HA GLY 25 2HA GLY 25 -3.710 1.173 -4.721
163 2HA GLY 25 1HA GLY 25 -4.631 -0.284 -4.347
164 H SER 26 H SER 26 -3.718 0.596 -6.989
165 HA SER 26 HA SER 26 -5.683 1.841 -8.570
166 1HB SER 26 2HB SER 26 -4.535 1.003 -10.399
167 2HB SER 26 1HB SER 26 -3.316 0.803 -9.147
168 HG SER 26 HG SER 26 -4.504 -1.347 -8.884
169 H ASP 27 H ASP 27 -5.893 -1.188 -6.941
170 HA ASP 27 HA ASP 27 -7.965 -2.252 -8.735
171 1HB ASP 27 2HB ASP 27 -7.957 -4.181 -7.343
172 2HB ASP 27 1HB ASP 27 -6.275 -3.663 -7.429
173 H ASN 28 H ASN 28 -8.265 0.334 -7.101
174 HA ASN 28 HA ASN 28 -10.024 1.425 -5.998
175 1HB ASN 28 2HB ASN 28 -11.185 -0.418 -7.754
176 2HB ASN 28 1HB ASN 28 -12.005 -0.695 -6.217
177 1HD2 ASN 28 1HD2 ASN 28 -10.717 2.346 -7.675
178 2HD2 ASN 28 2HD2 ASN 28 -12.195 3.177 -7.599
179 H LYS 29 H LYS 29 -8.238 -0.156 -4.399
180 HA LYS 29 HA LYS 29 -10.159 -1.082 -2.290
181 1HB LYS 29 2HB LYS 29 -7.875 -2.433 -3.479
182 2HB LYS 29 1HB LYS 29 -7.710 -2.297 -1.729
183 1HG LYS 29 2HG LYS 29 -10.296 -3.220 -2.977
184 2HG LYS 29 1HG LYS 29 -8.983 -4.353 -2.656
185 1HD LYS 29 2HD LYS 29 -9.338 -4.311 -0.415
186 2HD LYS 29 1HD LYS 29 -9.580 -2.564 -0.399
187 1HE LYS 29 2HE LYS 29 -11.665 -3.661 0.232
188 2HE LYS 29 1HE LYS 29 -11.863 -2.913 -1.352
189 1HZ LYS 29 1HZ LYS 29 -11.151 -5.185 -2.242
190 2HZ LYS 29 2HZ LYS 29 -12.726 -5.032 -1.623
191 3HZ LYS 29 3HZ LYS 29 -11.513 -5.767 -0.690
192 H THR 30 H THR 30 -9.854 -0.282 -0.237
193 HA THR 30 HA THR 30 -7.881 1.901 0.034
194 HB THR 30 HB THR 30 -10.053 0.927 1.917
195 HG1 THR 30 1HG THR 30 -10.855 1.884 0.042
196 1HG2 THR 30 1HG2 THR 30 -9.124 3.645 2.292
197 2HG2 THR 30 2HG2 THR 30 -7.790 2.502 2.456
198 3HG2 THR 30 3HG2 THR 30 -9.226 2.332 3.467
199 H TYR 31 H TYR 31 -6.075 1.763 1.354
200 HA TYR 31 HA TYR 31 -5.666 -0.841 2.757
201 1HB TYR 31 2HB TYR 31 -3.903 0.823 1.031
202 2HB TYR 31 1HB TYR 31 -3.155 -0.018 2.387
203 HD1 TYR 31 1HD TYR 31 -3.963 -0.320 -0.987
204 HD2 TYR 31 2HD TYR 31 -4.124 -2.548 2.681
205 HE1 TYR 31 1HE TYR 31 -4.046 -2.435 -2.277
206 HE2 TYR 31 2HE TYR 31 -4.206 -4.666 1.390
207 HH TYR 31 HH TYR 31 -4.624 -5.521 -0.708
208 H GLY 32 H GLY 32 -4.483 -0.744 4.749
209 1HA GLY 32 2HA GLY 32 -5.215 1.501 6.396
210 2HA GLY 32 1HA GLY 32 -4.182 0.163 6.894
211 H ASN 33 H ASN 33 -2.310 0.662 4.599
212 HA ASN 33 HA ASN 33 -1.290 3.302 4.660
213 1HB ASN 33 2HB ASN 33 0.601 3.034 6.255
214 2HB ASN 33 1HB ASN 33 -0.966 2.970 7.056
215 1HD2 ASN 33 1HD2 ASN 33 0.385 1.728 8.757
216 2HD2 ASN 33 2HD2 ASN 33 0.567 0.055 8.535
217 H LYS 34 H LYS 34 1.383 2.994 4.531
218 HA LYS 34 HA LYS 34 1.801 1.735 1.998
219 1HB LYS 34 2HB LYS 34 3.118 3.673 2.836
220 2HB LYS 34 1HB LYS 34 3.872 2.617 4.032
221 1HG LYS 34 2HG LYS 34 4.554 1.139 2.031
222 2HG LYS 34 1HG LYS 34 4.135 2.524 1.023
223 1HD LYS 34 2HD LYS 34 5.971 2.853 3.388
224 2HD LYS 34 1HD LYS 34 6.597 2.287 1.838
225 1HE LYS 34 2HE LYS 34 6.043 4.286 0.739
226 2HE LYS 34 1HE LYS 34 4.869 4.750 1.972
227 1HZ LYS 34 1HZ LYS 34 7.623 4.412 2.854
228 2HZ LYS 34 2HZ LYS 34 6.462 5.561 3.322
229 3HZ LYS 34 3HZ LYS 34 7.312 5.753 1.862
230 H CYS 35 H CYS 35 1.882 0.433 5.208
231 HA CYS 35 HA CYS 35 3.776 -1.694 4.610
232 1HB CYS 35 2HB CYS 35 3.219 -0.832 6.927
233 2HB CYS 35 1HB CYS 35 1.663 -1.646 6.777
234 H ASN 36 H ASN 36 0.263 -1.296 4.543
235 HA ASN 36 HA ASN 36 -0.181 -4.092 3.777
236 1HB ASN 36 2HB ASN 36 -1.736 -2.084 4.927
237 2HB ASN 36 1HB ASN 36 -2.381 -2.234 3.295
238 1HD2 ASN 36 1HD2 ASN 36 -1.644 -4.133 6.238
239 2HD2 ASN 36 2HD2 ASN 36 -2.739 -5.385 5.899
240 H PHE 37 H PHE 37 0.697 -1.192 2.232
241 HA PHE 37 HA PHE 37 -0.550 -1.856 -0.351
242 1HB PHE 37 2HB PHE 37 -0.263 0.517 0.422
243 2HB PHE 37 1HB PHE 37 1.483 0.295 0.312
244 HD1 PHE 37 1HD PHE 37 2.615 0.152 -1.811
245 HD2 PHE 37 2HD PHE 37 -1.667 0.464 -1.635
246 HE1 PHE 37 1HE PHE 37 2.551 0.631 -4.242
247 HE2 PHE 37 2HE PHE 37 -1.732 0.943 -4.073
248 HZ PHE 37 HZ PHE 37 0.382 1.026 -5.370
249 H CYS 38 H CYS 38 2.773 -1.619 0.967
250 HA CYS 38 HA CYS 38 4.028 -2.613 -1.427
251 1HB CYS 38 2HB CYS 38 4.910 -2.327 1.442
252 2HB CYS 38 1HB CYS 38 5.935 -3.144 0.265
253 H ASN 39 H ASN 39 2.633 -4.120 1.419
254 HA ASN 39 HA ASN 39 3.701 -6.765 0.804
255 1HB ASN 39 2HB ASN 39 2.217 -5.544 2.946
256 2HB ASN 39 1HB ASN 39 1.359 -6.986 2.405
257 1HD2 ASN 39 1HD2 ASN 39 2.456 -9.066 2.612
258 2HD2 ASN 39 2HD2 ASN 39 3.851 -9.240 3.561
259 H ALA 40 H ALA 40 0.550 -5.161 0.459
260 HA ALA 40 HA ALA 40 -0.775 -7.347 -0.827
261 1HB ALA 40 1HB ALA 40 -1.163 -4.360 -0.801
262 2HB ALA 40 2HB ALA 40 -2.238 -5.621 -0.198
263 3HB ALA 40 3HB ALA 40 -2.089 -5.345 -1.934
264 H VAL 41 H VAL 41 1.671 -5.139 -1.812
265 HA VAL 41 HA VAL 41 1.281 -5.524 -4.688
266 HB VAL 41 HB VAL 41 3.486 -4.265 -3.038
267 1HG1 VAL 41 1HG1 VAL 41 3.215 -4.330 -6.057
268 2HG1 VAL 41 2HG1 VAL 41 4.359 -5.311 -5.138
269 3HG1 VAL 41 3HG1 VAL 41 4.500 -3.553 -5.133
270 1HG2 VAL 41 1HG2 VAL 41 1.986 -2.717 -5.056
271 2HG2 VAL 41 2HG2 VAL 41 2.412 -2.288 -3.400
272 3HG2 VAL 41 3HG2 VAL 41 1.006 -3.304 -3.712
273 H VAL 42 H VAL 42 3.222 -6.904 -2.083
274 HA VAL 42 HA VAL 42 5.017 -8.378 -3.803
275 HB VAL 42 HB VAL 42 4.182 -8.791 -0.920
276 1HG1 VAL 42 1HG1 VAL 42 5.683 -10.505 -2.757
277 2HG1 VAL 42 2HG1 VAL 42 5.059 -10.866 -1.148
278 3HG1 VAL 42 3HG1 VAL 42 6.620 -10.064 -1.330
279 1HG2 VAL 42 1HG2 VAL 42 5.887 -7.384 -0.398
280 2HG2 VAL 42 2HG2 VAL 42 5.782 -6.863 -2.080
281 3HG2 VAL 42 3HG2 VAL 42 6.954 -8.094 -1.609
282 H GLU 43 H GLU 43 1.803 -8.961 -2.541
283 HA GLU 43 HA GLU 43 1.822 -11.792 -3.303
284 1HB GLU 43 2HB GLU 43 -0.461 -11.828 -2.542
285 2HB GLU 43 1HB GLU 43 0.451 -10.840 -1.400
286 1HG GLU 43 2HG GLU 43 -0.379 -8.808 -2.351
287 2HG GLU 43 1HG GLU 43 -1.041 -9.654 -3.749
288 H SER 44 H SER 44 0.865 -8.741 -4.745
289 HA SER 44 HA SER 44 -0.680 -10.013 -6.877
290 1HB SER 44 2HB SER 44 0.061 -7.436 -7.718
291 2HB SER 44 1HB SER 44 -1.468 -7.909 -6.985
292 HG SER 44 HG SER 44 0.894 -7.076 -5.643
293 H ASN 45 H ASN 45 2.632 -9.545 -6.249
294 HA ASN 45 HA ASN 45 4.494 -10.163 -7.555
295 1HB ASN 45 2HB ASN 45 2.772 -11.830 -8.526
296 2HB ASN 45 1HB ASN 45 2.615 -10.686 -9.858
297 1HD2 ASN 45 1HD2 ASN 45 4.563 -13.239 -8.584
298 2HD2 ASN 45 2HD2 ASN 45 5.843 -13.108 -9.692
299 H GLY 46 H GLY 46 3.074 -7.463 -7.583
300 1HA GLY 46 2HA GLY 46 4.040 -5.444 -8.500
301 2HA GLY 46 1HA GLY 46 4.617 -6.382 -9.881
302 H THR 47 H THR 47 1.575 -7.475 -9.447
303 HA THR 47 HA THR 47 0.547 -5.833 -11.652
304 HB THR 47 HB THR 47 -1.392 -7.355 -11.568
305 HG1 THR 47 1HG THR 47 -1.088 -9.125 -9.962
306 1HG2 THR 47 1HG2 THR 47 -0.197 -9.453 -12.038
307 2HG2 THR 47 2HG2 THR 47 1.251 -8.810 -11.261
308 3HG2 THR 47 3HG2 THR 47 0.652 -8.081 -12.750
309 H LEU 48 H LEU 48 0.702 -5.403 -8.369
310 HA LEU 48 HA LEU 48 -1.922 -3.972 -8.267
311 1HB LEU 48 2HB LEU 48 -1.560 -5.712 -6.530
312 2HB LEU 48 1HB LEU 48 -0.119 -4.852 -5.989
313 HG LEU 48 HG LEU 48 -1.619 -2.815 -5.659
314 1HD1 LEU 48 1HD1 LEU 48 -3.624 -4.940 -6.351
315 2HD1 LEU 48 2HD1 LEU 48 -3.585 -3.245 -6.835
316 3HD1 LEU 48 3HD1 LEU 48 -4.067 -3.683 -5.197
317 1HD2 LEU 48 1HD2 LEU 48 -1.508 -3.463 -3.500
318 2HD2 LEU 48 2HD2 LEU 48 -1.143 -5.103 -4.036
319 3HD2 LEU 48 3HD2 LEU 48 -2.815 -4.617 -3.759
320 H THR 49 H THR 49 -1.889 -1.792 -8.188
321 HA THR 49 HA THR 49 0.654 -0.441 -7.400
322 HB THR 49 HB THR 49 0.708 0.877 -9.287
323 HG1 THR 49 1HG THR 49 -1.265 1.230 -10.519
324 1HG2 THR 49 1HG2 THR 49 0.007 -0.466 -11.285
325 2HG2 THR 49 2HG2 THR 49 -0.796 -1.592 -10.189
326 3HG2 THR 49 3HG2 THR 49 0.954 -1.386 -10.117
327 H LEU 50 H LEU 50 -0.591 2.146 -7.979
328 HA LEU 50 HA LEU 50 -2.559 2.229 -5.733
329 1HB LEU 50 2HB LEU 50 -0.277 3.227 -5.247
330 2HB LEU 50 1HB LEU 50 -0.625 4.434 -6.483
331 HG LEU 50 HG LEU 50 -2.761 4.958 -5.206
332 1HD1 LEU 50 1HD1 LEU 50 -1.423 3.658 -2.852
333 2HD1 LEU 50 2HD1 LEU 50 -2.453 2.692 -3.907
334 3HD1 LEU 50 3HD1 LEU 50 -3.119 4.093 -3.066
335 1HD2 LEU 50 1HD2 LEU 50 -0.219 5.944 -4.943
336 2HD2 LEU 50 2HD2 LEU 50 -0.596 5.507 -3.276
337 3HD2 LEU 50 3HD2 LEU 50 -1.636 6.632 -4.149
338 H SER 51 H SER 51 -4.151 3.968 -5.901
339 HA SER 51 HA SER 51 -4.599 4.854 -8.720
340 1HB SER 51 2HB SER 51 -6.223 3.152 -7.223
341 2HB SER 51 1HB SER 51 -7.010 4.721 -7.075
342 HG SER 51 HG SER 51 -7.323 3.178 -9.040
343 H HIS 52 H HIS 52 -4.790 5.627 -5.291
344 HA HIS 52 HA HIS 52 -4.310 8.394 -5.725
345 1HB HIS 52 2HB HIS 52 -6.346 9.272 -6.141
346 2HB HIS 52 1HB HIS 52 -7.009 7.646 -6.214
347 HD1 HIS 52 1HD HIS 52 -8.745 7.121 -4.497
348 HD2 HIS 52 2HD HIS 52 -6.318 10.293 -3.305
349 HE1 HIS 52 1HE HIS 52 -9.698 7.970 -2.310
350 H PHE 53 H PHE 53 -2.991 8.441 -3.975
351 HA PHE 53 HA PHE 53 -3.061 7.017 -1.622
352 1HB PHE 53 2HB PHE 53 -2.394 9.965 -1.873
353 2HB PHE 53 1HB PHE 53 -1.881 8.902 -0.569
354 HD1 PHE 53 1HD PHE 53 -1.383 9.836 -4.075
355 HD2 PHE 53 2HD PHE 53 -0.240 7.105 -0.964
356 HE1 PHE 53 1HE PHE 53 0.580 9.129 -5.416
357 HE2 PHE 53 2HE PHE 53 1.721 6.395 -2.304
358 HZ PHE 53 HZ PHE 53 2.132 7.407 -4.530
359 H GLY 54 H GLY 54 -5.131 6.629 -0.775
360 1HA GLY 54 2HA GLY 54 -6.230 8.101 1.229
361 2HA GLY 54 1HA GLY 54 -6.926 8.883 -0.192
362 H LYS 55 H LYS 55 -8.628 7.618 1.595
363 HA LYS 55 HA LYS 55 -9.170 4.893 0.639
364 1HB LYS 55 2HB LYS 55 -9.609 5.424 2.983
365 2HB LYS 55 1HB LYS 55 -10.694 6.733 2.513
366 1HG LYS 55 2HG LYS 55 -11.868 4.753 1.149
367 2HG LYS 55 1HG LYS 55 -11.134 3.785 2.427
368 1HD LYS 55 2HD LYS 55 -12.947 6.180 2.841
369 2HD LYS 55 1HD LYS 55 -13.394 4.491 3.085
370 1HE LYS 55 2HE LYS 55 -12.475 4.478 5.140
371 2HE LYS 55 1HE LYS 55 -10.952 5.108 4.515
372 1HZ LYS 55 1HZ LYS 55 -13.243 6.547 5.629
373 2HZ LYS 55 2HZ LYS 55 -12.348 7.308 4.401
374 3HZ LYS 55 3HZ LYS 55 -11.584 6.827 5.841
375 H CYS 56 H CYS 56 -10.556 4.400 -1.014
376 HA CYS 56 HA CYS 56 -11.754 6.587 -2.537
377 1HB CYS 56 2HB CYS 56 -11.600 3.601 -2.859
378 2HB CYS 56 1HB CYS 56 -12.717 4.540 -3.850
Start of MODEL 14
1 1H ALA 3 1HT ALA 3 5.495 9.119 -9.380
2 2H ALA 3 2HT ALA 3 5.804 10.725 -9.840
3 3H ALA 3 3HT ALA 3 5.199 9.615 -10.974
4 HA ALA 3 HA ALA 3 3.773 11.297 -9.229
5 1HB ALA 3 1HB ALA 3 3.222 9.376 -11.465
6 2HB ALA 3 2HB ALA 3 2.907 11.108 -11.378
7 3HB ALA 3 3HB ALA 3 1.864 9.979 -10.514
8 H VAL 4 H VAL 4 3.992 7.743 -9.460
9 HA VAL 4 HA VAL 4 2.679 7.625 -6.776
10 HB VAL 4 HB VAL 4 2.223 5.171 -8.183
11 1HG1 VAL 4 1HG1 VAL 4 0.375 7.413 -7.315
12 2HG1 VAL 4 2HG1 VAL 4 0.868 6.032 -6.335
13 3HG1 VAL 4 3HG1 VAL 4 -0.145 5.787 -7.758
14 1HG2 VAL 4 1HG2 VAL 4 2.354 6.250 -10.309
15 2HG2 VAL 4 2HG2 VAL 4 1.534 7.691 -9.713
16 3HG2 VAL 4 3HG2 VAL 4 0.632 6.192 -9.932
17 H SER 5 H SER 5 3.037 5.019 -6.138
18 HA SER 5 HA SER 5 4.633 3.426 -5.486
19 1HB SER 5 2HB SER 5 5.886 2.739 -7.228
20 2HB SER 5 1HB SER 5 5.380 4.176 -8.108
21 HG SER 5 HG SER 5 7.561 4.308 -8.015
22 H VAL 6 H VAL 6 5.674 3.702 -3.580
23 HA VAL 6 HA VAL 6 7.843 5.681 -3.346
24 HB VAL 6 HB VAL 6 5.904 5.886 -1.121
25 1HG1 VAL 6 1HG1 VAL 6 8.152 7.197 -1.833
26 2HG1 VAL 6 2HG1 VAL 6 6.871 7.954 -0.887
27 3HG1 VAL 6 3HG1 VAL 6 6.960 8.226 -2.627
28 1HG2 VAL 6 1HG2 VAL 6 4.468 7.493 -2.361
29 2HG2 VAL 6 2HG2 VAL 6 4.344 5.863 -3.026
30 3HG2 VAL 6 3HG2 VAL 6 5.315 7.081 -3.852
31 H ASP 7 H ASP 7 8.529 5.579 -0.853
32 HA ASP 7 HA ASP 7 9.809 4.126 0.515
33 1HB ASP 7 2HB ASP 7 7.527 4.674 1.477
34 2HB ASP 7 1HB ASP 7 7.048 3.076 0.947
35 H CYS 8 H CYS 8 8.319 1.424 1.043
36 HA CYS 8 HA CYS 8 8.496 -0.786 0.247
37 1HB CYS 8 2HB CYS 8 8.303 0.859 -2.146
38 2HB CYS 8 1HB CYS 8 9.360 -0.527 -2.413
39 H SER 9 H SER 9 10.696 0.775 1.369
40 HA SER 9 HA SER 9 13.156 0.464 0.020
41 1HB SER 9 2HB SER 9 12.522 0.389 2.980
42 2HB SER 9 1HB SER 9 14.158 0.467 2.330
43 HG SER 9 HG SER 9 13.829 2.480 1.724
44 H GLU 10 H GLU 10 11.716 -1.782 2.438
45 HA GLU 10 HA GLU 10 13.168 -3.985 1.054
46 1HB GLU 10 2HB GLU 10 13.977 -4.876 3.176
47 2HB GLU 10 1HB GLU 10 14.539 -3.215 2.996
48 1HG GLU 10 2HG GLU 10 12.244 -2.691 4.255
49 2HG GLU 10 1HG GLU 10 12.486 -4.330 4.857
50 H TYR 11 H TYR 11 10.785 -4.216 0.359
51 HA TYR 11 HA TYR 11 9.169 -5.518 2.496
52 1HB TYR 11 2HB TYR 11 8.500 -4.148 -0.078
53 2HB TYR 11 1HB TYR 11 7.419 -5.421 0.491
54 HD1 TYR 11 1HD TYR 11 5.961 -5.071 2.363
55 HD2 TYR 11 2HD TYR 11 9.017 -2.196 1.430
56 HE1 TYR 11 1HE TYR 11 4.981 -3.489 4.009
57 HE2 TYR 11 2HE TYR 11 8.037 -0.621 3.074
58 HH TYR 11 HH TYR 11 6.580 -0.441 4.803
59 HA PRO 12 HA PRO 12 7.209 -6.716 2.189
60 1HB PRO 12 2HB PRO 12 6.774 -9.148 3.400
61 2HB PRO 12 1HB PRO 12 6.116 -8.705 1.817
62 1HG PRO 12 2HG PRO 12 8.393 -10.524 2.458
63 2HG PRO 12 1HG PRO 12 7.293 -10.549 1.070
64 1HD PRO 12 2HD PRO 12 9.928 -9.547 1.049
65 2HD PRO 12 1HD PRO 12 8.690 -9.231 -0.186
66 H LYS 13 H LYS 13 7.019 -6.334 4.481
67 HA LYS 13 HA LYS 13 9.615 -6.410 5.889
68 1HB LYS 13 2HB LYS 13 6.962 -5.136 6.636
69 2HB LYS 13 1HB LYS 13 8.476 -4.935 7.522
70 1HG LYS 13 2HG LYS 13 9.436 -4.194 5.203
71 2HG LYS 13 1HG LYS 13 7.744 -3.932 4.784
72 1HD LYS 13 2HD LYS 13 7.768 -1.976 5.882
73 2HD LYS 13 1HD LYS 13 8.197 -2.813 7.376
74 1HE LYS 13 2HE LYS 13 10.087 -1.523 7.191
75 2HE LYS 13 1HE LYS 13 10.599 -2.850 6.147
76 1HZ LYS 13 1HZ LYS 13 9.504 -1.550 4.293
77 2HZ LYS 13 2HZ LYS 13 10.956 -0.918 4.907
78 3HZ LYS 13 3HZ LYS 13 9.470 -0.233 5.359
79 HA PRO 14 HA PRO 14 8.521 -9.725 8.535
80 1HB PRO 14 2HB PRO 14 10.022 -9.053 10.738
81 2HB PRO 14 1HB PRO 14 10.711 -9.711 9.243
82 1HG PRO 14 2HG PRO 14 10.796 -6.917 10.277
83 2HG PRO 14 1HG PRO 14 11.916 -7.742 9.178
84 1HD PRO 14 2HD PRO 14 9.900 -5.890 8.427
85 2HD PRO 14 1HD PRO 14 10.821 -6.940 7.331
86 H ALA 15 H ALA 15 7.158 -6.788 8.930
87 HA ALA 15 HA ALA 15 5.125 -7.571 10.692
88 1HB ALA 15 1HB ALA 15 7.576 -6.535 12.068
89 2HB ALA 15 2HB ALA 15 6.456 -7.800 12.577
90 3HB ALA 15 3HB ALA 15 5.995 -6.104 12.720
91 H CYS 16 H CYS 16 3.543 -6.106 10.331
92 HA CYS 16 HA CYS 16 4.253 -3.457 9.234
93 1HB CYS 16 2HB CYS 16 1.625 -4.923 9.606
94 2HB CYS 16 1HB CYS 16 1.719 -3.268 9.009
95 H THR 17 H THR 17 2.125 -1.917 10.185
96 HA THR 17 HA THR 17 2.380 -1.982 13.150
97 HB THR 17 HB THR 17 2.539 0.652 12.843
98 HG1 THR 17 1HG THR 17 2.753 1.075 10.802
99 1HG2 THR 17 1HG2 THR 17 5.194 -0.035 12.410
100 2HG2 THR 17 2HG2 THR 17 4.496 -1.507 13.088
101 3HG2 THR 17 3HG2 THR 17 4.386 0.013 13.976
102 H MET 18 H MET 18 0.768 -0.311 14.109
103 HA MET 18 HA MET 18 -1.811 -0.727 12.751
104 1HB MET 18 2HB MET 18 -1.136 0.598 15.398
105 2HB MET 18 1HB MET 18 -2.769 0.280 14.812
106 1HG MET 18 2HG MET 18 -2.379 -2.108 14.823
107 2HG MET 18 1HG MET 18 -0.672 -1.873 15.199
108 1HE MET 18 1HE MET 18 -3.765 -3.014 16.446
109 2HE MET 18 2HE MET 18 -4.351 -1.353 16.412
110 3HE MET 18 3HE MET 18 -4.184 -2.191 17.954
111 H GLU 19 H GLU 19 0.442 1.307 11.960
112 HA GLU 19 HA GLU 19 -0.456 3.950 12.299
113 1HB GLU 19 2HB GLU 19 1.685 3.358 11.212
114 2HB GLU 19 1HB GLU 19 0.801 2.722 9.824
115 1HG GLU 19 2HG GLU 19 0.090 4.841 9.136
116 2HG GLU 19 1HG GLU 19 0.310 5.543 10.739
117 H TYR 20 H TYR 20 -1.710 5.322 10.784
118 HA TYR 20 HA TYR 20 -3.804 3.721 9.373
119 1HB TYR 20 2HB TYR 20 -4.273 5.368 11.458
120 2HB TYR 20 1HB TYR 20 -4.403 6.524 10.132
121 HD1 TYR 20 1HD TYR 20 -5.630 3.206 11.319
122 HD2 TYR 20 2HD TYR 20 -6.318 6.568 8.737
123 HE1 TYR 20 1HE TYR 20 -7.875 2.315 10.759
124 HE2 TYR 20 2HE TYR 20 -8.565 5.678 8.178
125 HH TYR 20 HH TYR 20 -9.534 2.940 8.302
126 H ARG 21 H ARG 21 -3.511 3.837 7.254
127 HA ARG 21 HA ARG 21 -3.192 6.457 5.953
128 1HB ARG 21 2HB ARG 21 -1.111 4.277 5.862
129 2HB ARG 21 1HB ARG 21 -1.301 5.400 4.515
130 1HG ARG 21 2HG ARG 21 -1.234 7.223 6.429
131 2HG ARG 21 1HG ARG 21 -0.409 5.946 7.325
132 1HD ARG 21 2HD ARG 21 1.475 6.125 6.074
133 2HD ARG 21 1HD ARG 21 0.566 6.272 4.569
134 HE ARG 21 HE ARG 21 0.473 8.659 4.902
135 1HH1 ARG 21 1HH1 ARG 21 0.282 8.530 7.940
136 2HH1 ARG 21 2HH1 ARG 21 1.806 9.216 8.402
137 1HH2 ARG 21 1HH2 ARG 21 3.222 8.858 5.257
138 2HH2 ARG 21 2HH2 ARG 21 3.468 9.402 6.883
139 HA PRO 22 HA PRO 22 -5.997 3.730 3.679
140 1HB PRO 22 2HB PRO 22 -7.541 5.799 2.728
141 2HB PRO 22 1HB PRO 22 -7.772 5.050 4.318
142 1HG PRO 22 2HG PRO 22 -6.550 7.690 3.645
143 2HG PRO 22 1HG PRO 22 -7.387 7.183 5.123
144 1HD PRO 22 2HD PRO 22 -4.591 7.396 4.816
145 2HD PRO 22 1HD PRO 22 -5.428 6.535 6.127
146 H LEU 23 H LEU 23 -4.901 3.019 1.884
147 HA LEU 23 HA LEU 23 -4.151 5.047 -0.180
148 1HB LEU 23 2HB LEU 23 -2.892 2.497 0.754
149 2HB LEU 23 1HB LEU 23 -2.691 2.952 -0.936
150 HG LEU 23 HG LEU 23 -2.241 5.077 1.104
151 1HD1 LEU 23 1HD1 LEU 23 0.130 4.264 1.375
152 2HD1 LEU 23 2HD1 LEU 23 -0.362 2.747 0.623
153 3HD1 LEU 23 3HD1 LEU 23 -1.071 3.240 2.160
154 1HD2 LEU 23 1HD2 LEU 23 -1.986 5.602 -1.254
155 2HD2 LEU 23 2HD2 LEU 23 -0.915 4.221 -1.487
156 3HD2 LEU 23 3HD2 LEU 23 -0.385 5.594 -0.517
157 H CYS 24 H CYS 24 -5.289 4.941 -2.072
158 HA CYS 24 HA CYS 24 -7.147 2.677 -2.457
159 1HB CYS 24 2HB CYS 24 -7.926 5.008 -2.828
160 2HB CYS 24 1HB CYS 24 -6.749 5.175 -4.131
161 H GLY 25 H GLY 25 -5.487 1.062 -2.928
162 1HA GLY 25 2HA GLY 25 -3.447 1.125 -4.787
163 2HA GLY 25 1HA GLY 25 -4.449 -0.306 -4.542
164 H SER 26 H SER 26 -3.306 0.644 -7.062
165 HA SER 26 HA SER 26 -5.030 2.024 -8.769
166 1HB SER 26 2HB SER 26 -2.730 0.524 -9.080
167 2HB SER 26 1HB SER 26 -3.916 -0.385 -10.013
168 HG SER 26 HG SER 26 -2.705 1.929 -10.608
169 H ASP 27 H ASP 27 -5.603 -1.018 -7.245
170 HA ASP 27 HA ASP 27 -7.598 -1.892 -9.214
171 1HB ASP 27 2HB ASP 27 -7.898 -3.803 -7.800
172 2HB ASP 27 1HB ASP 27 -6.167 -3.459 -7.804
173 H ASN 28 H ASN 28 -7.842 0.712 -7.596
174 HA ASN 28 HA ASN 28 -9.572 1.920 -6.576
175 1HB ASN 28 2HB ASN 28 -10.718 0.311 -8.547
176 2HB ASN 28 1HB ASN 28 -11.709 0.008 -7.118
177 1HD2 ASN 28 1HD2 ASN 28 -11.269 2.164 -9.704
178 2HD2 ASN 28 2HD2 ASN 28 -12.145 3.478 -9.081
179 H LYS 29 H LYS 29 -8.114 0.080 -4.930
180 HA LYS 29 HA LYS 29 -10.276 -0.697 -3.019
181 1HB LYS 29 2HB LYS 29 -8.747 -2.517 -4.267
182 2HB LYS 29 1HB LYS 29 -7.670 -2.130 -2.923
183 1HG LYS 29 2HG LYS 29 -10.306 -2.371 -1.868
184 2HG LYS 29 1HG LYS 29 -10.013 -3.774 -2.896
185 1HD LYS 29 2HD LYS 29 -8.068 -4.398 -1.671
186 2HD LYS 29 1HD LYS 29 -7.997 -2.839 -0.850
187 1HE LYS 29 2HE LYS 29 -10.056 -3.335 0.363
188 2HE LYS 29 1HE LYS 29 -10.241 -4.850 -0.520
189 1HZ LYS 29 1HZ LYS 29 -8.698 -4.320 1.787
190 2HZ LYS 29 2HZ LYS 29 -7.686 -4.866 0.537
191 3HZ LYS 29 3HZ LYS 29 -9.011 -5.808 1.032
192 H THR 30 H THR 30 -9.936 -0.122 -0.866
193 HA THR 30 HA THR 30 -7.846 1.890 -0.419
194 HB THR 30 HB THR 30 -9.938 0.757 1.465
195 HG1 THR 30 1HG THR 30 -9.887 2.785 -0.435
196 1HG2 THR 30 1HG2 THR 30 -7.813 2.846 1.723
197 2HG2 THR 30 2HG2 THR 30 -8.420 1.707 2.926
198 3HG2 THR 30 3HG2 THR 30 -9.365 3.135 2.510
199 H TYR 31 H TYR 31 -6.201 1.696 1.211
200 HA TYR 31 HA TYR 31 -5.605 -1.129 1.984
201 1HB TYR 31 2HB TYR 31 -3.929 1.019 0.806
202 2HB TYR 31 1HB TYR 31 -3.170 -0.010 2.016
203 HD1 TYR 31 1HD TYR 31 -3.407 0.326 -1.353
204 HD2 TYR 31 2HD TYR 31 -4.203 -2.628 1.664
205 HE1 TYR 31 1HE TYR 31 -3.189 -1.468 -3.053
206 HE2 TYR 31 2HE TYR 31 -3.983 -4.421 -0.036
207 HH TYR 31 HH TYR 31 -3.763 -4.875 -2.207
208 H GLY 32 H GLY 32 -4.507 -1.395 4.019
209 1HA GLY 32 2HA GLY 32 -5.543 0.346 6.084
210 2HA GLY 32 1HA GLY 32 -4.444 -1.011 6.340
211 H ASN 33 H ASN 33 -2.487 0.093 4.372
212 HA ASN 33 HA ASN 33 -1.647 2.700 5.035
213 1HB ASN 33 2HB ASN 33 0.130 2.261 6.708
214 2HB ASN 33 1HB ASN 33 -1.468 1.899 7.354
215 1HD2 ASN 33 1HD2 ASN 33 0.445 0.603 8.719
216 2HD2 ASN 33 2HD2 ASN 33 0.584 -1.023 8.256
217 H LYS 34 H LYS 34 1.024 2.629 4.977
218 HA LYS 34 HA LYS 34 1.629 1.777 2.306
219 1HB LYS 34 2HB LYS 34 3.888 2.565 2.771
220 2HB LYS 34 1HB LYS 34 2.722 3.703 3.452
221 1HG LYS 34 2HG LYS 34 3.312 3.226 5.601
222 2HG LYS 34 1HG LYS 34 3.525 1.506 5.262
223 1HD LYS 34 2HD LYS 34 5.745 1.931 5.408
224 2HD LYS 34 1HD LYS 34 5.570 2.655 3.809
225 1HE LYS 34 2HE LYS 34 4.793 4.448 6.005
226 2HE LYS 34 1HE LYS 34 6.493 3.980 6.041
227 1HZ LYS 34 1HZ LYS 34 5.063 5.614 4.128
228 2HZ LYS 34 2HZ LYS 34 6.136 4.487 3.443
229 3HZ LYS 34 3HZ LYS 34 6.702 5.633 4.563
230 H CYS 35 H CYS 35 1.839 0.114 5.369
231 HA CYS 35 HA CYS 35 3.879 -1.769 4.460
232 1HB CYS 35 2HB CYS 35 3.365 -1.169 6.885
233 2HB CYS 35 1HB CYS 35 1.910 -2.148 6.716
234 H ASN 36 H ASN 36 0.395 -1.516 4.432
235 HA ASN 36 HA ASN 36 0.011 -4.282 3.522
236 1HB ASN 36 2HB ASN 36 -1.584 -2.319 4.753
237 2HB ASN 36 1HB ASN 36 -2.239 -2.490 3.129
238 1HD2 ASN 36 1HD2 ASN 36 -1.970 -4.001 6.232
239 2HD2 ASN 36 2HD2 ASN 36 -2.783 -5.438 5.841
240 H PHE 37 H PHE 37 0.732 -1.208 2.232
241 HA PHE 37 HA PHE 37 -0.427 -1.678 -0.417
242 1HB PHE 37 2HB PHE 37 -0.231 0.613 0.515
243 2HB PHE 37 1HB PHE 37 1.523 0.433 0.555
244 HD1 PHE 37 1HD PHE 37 2.767 1.175 -1.266
245 HD2 PHE 37 2HD PHE 37 -1.344 0.065 -1.843
246 HE1 PHE 37 1HE PHE 37 2.910 1.880 -3.638
247 HE2 PHE 37 2HE PHE 37 -1.202 0.771 -4.217
248 HZ PHE 37 HZ PHE 37 0.927 1.675 -5.115
249 H CYS 38 H CYS 38 2.870 -1.475 0.958
250 HA CYS 38 HA CYS 38 4.142 -2.269 -1.508
251 1HB CYS 38 2HB CYS 38 5.015 -1.938 1.336
252 2HB CYS 38 1HB CYS 38 6.040 -2.874 0.248
253 H ASN 39 H ASN 39 2.938 -3.984 1.324
254 HA ASN 39 HA ASN 39 4.067 -6.536 0.476
255 1HB ASN 39 2HB ASN 39 2.078 -5.686 2.578
256 2HB ASN 39 1HB ASN 39 2.299 -7.394 2.197
257 1HD2 ASN 39 1HD2 ASN 39 4.467 -8.331 2.581
258 2HD2 ASN 39 2HD2 ASN 39 5.541 -7.579 3.659
259 H ALA 40 H ALA 40 0.881 -4.975 0.309
260 HA ALA 40 HA ALA 40 -0.493 -7.135 -0.941
261 1HB ALA 40 1HB ALA 40 -1.928 -5.285 -1.940
262 2HB ALA 40 2HB ALA 40 -0.843 -4.132 -1.164
263 3HB ALA 40 3HB ALA 40 -1.789 -5.252 -0.182
264 H VAL 41 H VAL 41 1.930 -4.926 -2.010
265 HA VAL 41 HA VAL 41 1.489 -5.247 -4.862
266 HB VAL 41 HB VAL 41 3.701 -4.137 -3.145
267 1HG1 VAL 41 1HG1 VAL 41 4.807 -3.551 -5.411
268 2HG1 VAL 41 2HG1 VAL 41 3.852 -4.881 -6.067
269 3HG1 VAL 41 3HG1 VAL 41 5.032 -5.187 -4.793
270 1HG2 VAL 41 1HG2 VAL 41 3.082 -2.353 -5.153
271 2HG2 VAL 41 2HG2 VAL 41 2.354 -2.352 -3.547
272 3HG2 VAL 41 3HG2 VAL 41 1.536 -3.161 -4.884
273 H VAL 42 H VAL 42 3.485 -6.837 -2.394
274 HA VAL 42 HA VAL 42 4.691 -8.611 -4.419
275 HB VAL 42 HB VAL 42 4.856 -8.707 -1.389
276 1HG1 VAL 42 1HG1 VAL 42 5.381 -10.854 -2.507
277 2HG1 VAL 42 2HG1 VAL 42 6.827 -10.129 -1.805
278 3HG1 VAL 42 3HG1 VAL 42 6.542 -10.024 -3.542
279 1HG2 VAL 42 1HG2 VAL 42 5.740 -6.610 -2.487
280 2HG2 VAL 42 2HG2 VAL 42 6.855 -7.629 -3.397
281 3HG2 VAL 42 3HG2 VAL 42 6.969 -7.549 -1.639
282 H GLU 43 H GLU 43 1.795 -8.480 -2.700
283 HA GLU 43 HA GLU 43 1.459 -11.434 -2.664
284 1HB GLU 43 2HB GLU 43 -0.460 -9.278 -1.723
285 2HB GLU 43 1HB GLU 43 -0.574 -11.007 -1.397
286 1HG GLU 43 2HG GLU 43 2.012 -10.249 -0.569
287 2HG GLU 43 1HG GLU 43 0.933 -8.988 0.027
288 H SER 44 H SER 44 0.939 -8.792 -4.698
289 HA SER 44 HA SER 44 -1.313 -10.179 -6.083
290 1HB SER 44 2HB SER 44 -0.918 -7.448 -5.400
291 2HB SER 44 1HB SER 44 -0.788 -7.564 -7.153
292 HG SER 44 HG SER 44 -2.774 -8.905 -6.943
293 H ASN 45 H ASN 45 1.706 -10.632 -6.230
294 HA ASN 45 HA ASN 45 3.104 -11.408 -7.933
295 1HB ASN 45 2HB ASN 45 1.088 -10.370 -9.899
296 2HB ASN 45 1HB ASN 45 2.222 -11.701 -10.104
297 1HD2 ASN 45 1HD2 ASN 45 1.744 -13.733 -8.913
298 2HD2 ASN 45 2HD2 ASN 45 0.169 -14.053 -8.365
299 H GLY 46 H GLY 46 2.505 -8.370 -7.103
300 1HA GLY 46 2HA GLY 46 3.889 -6.467 -7.414
301 2HA GLY 46 1HA GLY 46 4.731 -7.332 -8.701
302 H THR 47 H THR 47 1.463 -7.631 -9.261
303 HA THR 47 HA THR 47 1.595 -5.587 -11.391
304 HB THR 47 HB THR 47 -0.925 -6.815 -11.450
305 HG1 THR 47 1HG THR 47 -0.546 -8.925 -11.061
306 1HG2 THR 47 1HG2 THR 47 0.036 -6.581 -13.519
307 2HG2 THR 47 2HG2 THR 47 0.479 -8.264 -13.231
308 3HG2 THR 47 3HG2 THR 47 1.650 -6.979 -12.929
309 H LEU 48 H LEU 48 0.561 -5.758 -8.193
310 HA LEU 48 HA LEU 48 -1.722 -3.910 -8.552
311 1HB LEU 48 2HB LEU 48 -1.806 -5.744 -6.853
312 2HB LEU 48 1HB LEU 48 -0.472 -4.969 -5.998
313 HG LEU 48 HG LEU 48 -2.610 -3.082 -6.610
314 1HD1 LEU 48 1HD1 LEU 48 -3.237 -5.598 -5.054
315 2HD1 LEU 48 2HD1 LEU 48 -4.159 -4.878 -6.374
316 3HD1 LEU 48 3HD1 LEU 48 -4.120 -4.094 -4.795
317 1HD2 LEU 48 1HD2 LEU 48 -0.607 -3.067 -4.908
318 2HD2 LEU 48 2HD2 LEU 48 -1.720 -3.960 -3.872
319 3HD2 LEU 48 3HD2 LEU 48 -2.145 -2.343 -4.436
320 H THR 49 H THR 49 -1.500 -1.744 -8.409
321 HA THR 49 HA THR 49 0.983 -0.650 -7.144
322 HB THR 49 HB THR 49 1.080 1.056 -8.850
323 HG1 THR 49 1HG THR 49 -0.512 0.828 -10.607
324 1HG2 THR 49 1HG2 THR 49 0.609 -1.012 -10.800
325 2HG2 THR 49 2HG2 THR 49 1.379 -1.704 -9.373
326 3HG2 THR 49 3HG2 THR 49 2.145 -0.364 -10.227
327 H LEU 50 H LEU 50 -0.074 2.056 -7.762
328 HA LEU 50 HA LEU 50 -2.141 2.167 -5.613
329 1HB LEU 50 2HB LEU 50 0.055 3.304 -5.130
330 2HB LEU 50 1HB LEU 50 -0.268 4.383 -6.487
331 HG LEU 50 HG LEU 50 -2.305 5.184 -5.422
332 1HD1 LEU 50 1HD1 LEU 50 -1.894 2.782 -3.804
333 2HD1 LEU 50 2HD1 LEU 50 -3.366 3.721 -4.058
334 3HD1 LEU 50 3HD1 LEU 50 -2.214 4.207 -2.815
335 1HD2 LEU 50 1HD2 LEU 50 -0.814 5.523 -3.017
336 2HD2 LEU 50 2HD2 LEU 50 -0.979 6.657 -4.357
337 3HD2 LEU 50 3HD2 LEU 50 0.337 5.483 -4.351
338 H SER 51 H SER 51 -3.686 4.034 -5.869
339 HA SER 51 HA SER 51 -4.173 4.697 -8.739
340 1HB SER 51 2HB SER 51 -6.199 3.700 -8.718
341 2HB SER 51 1HB SER 51 -5.737 2.965 -7.189
342 HG SER 51 HG SER 51 -7.346 5.182 -7.719
343 H HIS 52 H HIS 52 -4.482 5.590 -5.342
344 HA HIS 52 HA HIS 52 -4.131 8.343 -5.804
345 1HB HIS 52 2HB HIS 52 -6.145 9.062 -6.523
346 2HB HIS 52 1HB HIS 52 -6.783 7.426 -6.434
347 HD1 HIS 52 1HD HIS 52 -8.177 6.790 -4.362
348 HD2 HIS 52 2HD HIS 52 -6.729 10.698 -4.238
349 HE1 HIS 52 1HE HIS 52 -9.383 7.942 -2.454
350 H PHE 53 H PHE 53 -3.024 8.538 -3.924
351 HA PHE 53 HA PHE 53 -3.231 7.158 -1.556
352 1HB PHE 53 2HB PHE 53 -2.625 10.080 -2.039
353 2HB PHE 53 1HB PHE 53 -2.493 9.344 -0.446
354 HD1 PHE 53 1HD PHE 53 -1.156 9.357 -3.886
355 HD2 PHE 53 2HD PHE 53 -0.744 7.748 0.075
356 HE1 PHE 53 1HE PHE 53 1.081 8.466 -4.481
357 HE2 PHE 53 2HE PHE 53 1.494 6.858 -0.519
358 HZ PHE 53 HZ PHE 53 2.406 7.218 -2.798
359 H GLY 54 H GLY 54 -5.058 6.709 -0.427
360 1HA GLY 54 2HA GLY 54 -6.570 7.980 1.252
361 2HA GLY 54 1HA GLY 54 -7.132 8.844 -0.182
362 H LYS 55 H LYS 55 -8.952 7.403 1.349
363 HA LYS 55 HA LYS 55 -9.320 4.729 0.244
364 1HB LYS 55 2HB LYS 55 -10.143 5.278 2.499
365 2HB LYS 55 1HB LYS 55 -11.212 6.508 1.821
366 1HG LYS 55 2HG LYS 55 -11.923 4.351 0.319
367 2HG LYS 55 1HG LYS 55 -11.498 3.560 1.837
368 1HD LYS 55 2HD LYS 55 -13.571 4.124 2.543
369 2HD LYS 55 1HD LYS 55 -12.956 5.772 2.665
370 1HE LYS 55 2HE LYS 55 -14.654 6.240 1.215
371 2HE LYS 55 1HE LYS 55 -13.515 5.651 0.003
372 1HZ LYS 55 1HZ LYS 55 -15.130 3.654 1.383
373 2HZ LYS 55 2HZ LYS 55 -14.622 3.713 -0.238
374 3HZ LYS 55 3HZ LYS 55 -15.939 4.656 0.277
375 H CYS 56 H CYS 56 -10.657 4.148 -1.466
376 HA CYS 56 HA CYS 56 -11.587 6.365 -3.185
377 1HB CYS 56 2HB CYS 56 -11.087 3.437 -3.541
378 2HB CYS 56 1HB CYS 56 -12.245 4.219 -4.620
Start of MODEL 15
1 1H ALA 3 1HT ALA 3 9.096 10.093 -11.549
2 2H ALA 3 2HT ALA 3 10.226 9.800 -10.315
3 3H ALA 3 3HT ALA 3 8.802 10.665 -9.979
4 HA ALA 3 HA ALA 3 7.877 8.327 -11.023
5 1HB ALA 3 1HB ALA 3 9.053 6.566 -9.837
6 2HB ALA 3 2HB ALA 3 10.121 7.741 -9.068
7 3HB ALA 3 3HB ALA 3 10.226 7.459 -10.806
8 H VAL 4 H VAL 4 6.176 7.739 -9.690
9 HA VAL 4 HA VAL 4 6.108 9.050 -7.005
10 HB VAL 4 HB VAL 4 4.482 9.887 -8.754
11 1HG1 VAL 4 1HG1 VAL 4 4.060 7.116 -9.114
12 2HG1 VAL 4 2HG1 VAL 4 3.238 8.444 -9.931
13 3HG1 VAL 4 3HG1 VAL 4 2.564 7.768 -8.447
14 1HG2 VAL 4 1HG2 VAL 4 3.328 10.514 -6.932
15 2HG2 VAL 4 2HG2 VAL 4 4.034 9.182 -6.017
16 3HG2 VAL 4 3HG2 VAL 4 2.531 8.941 -6.906
17 H SER 5 H SER 5 3.459 7.222 -6.844
18 HA SER 5 HA SER 5 2.967 5.050 -6.105
19 1HB SER 5 2HB SER 5 4.141 3.468 -7.191
20 2HB SER 5 1HB SER 5 5.288 4.699 -7.704
21 HG SER 5 HG SER 5 6.379 4.356 -5.701
22 H VAL 6 H VAL 6 3.506 3.688 -4.159
23 HA VAL 6 HA VAL 6 4.558 5.417 -2.027
24 HB VAL 6 HB VAL 6 3.718 2.556 -1.627
25 1HG1 VAL 6 1HG1 VAL 6 2.707 3.670 0.437
26 2HG1 VAL 6 2HG1 VAL 6 3.558 5.136 -0.051
27 3HG1 VAL 6 3HG1 VAL 6 4.469 3.680 0.352
28 1HG2 VAL 6 1HG2 VAL 6 1.373 3.808 -1.295
29 2HG2 VAL 6 2HG2 VAL 6 1.848 3.138 -2.853
30 3HG2 VAL 6 3HG2 VAL 6 2.049 4.859 -2.539
31 H ASP 7 H ASP 7 6.196 4.564 -0.483
32 HA ASP 7 HA ASP 7 8.460 3.422 -1.925
33 1HB ASP 7 2HB ASP 7 9.004 5.075 -0.292
34 2HB ASP 7 1HB ASP 7 8.023 4.286 0.943
35 H CYS 8 H CYS 8 9.042 1.293 -1.952
36 HA CYS 8 HA CYS 8 7.640 -0.540 -0.043
37 1HB CYS 8 2HB CYS 8 8.392 -1.016 -2.943
38 2HB CYS 8 1HB CYS 8 7.787 -2.264 -1.854
39 H SER 9 H SER 9 9.838 0.290 1.025
40 HA SER 9 HA SER 9 12.384 -0.507 0.321
41 1HB SER 9 2HB SER 9 11.591 0.641 2.477
42 2HB SER 9 1HB SER 9 11.324 -0.981 3.108
43 HG SER 9 HG SER 9 13.565 0.331 3.088
44 H GLU 10 H GLU 10 12.161 -2.445 -0.927
45 HA GLU 10 HA GLU 10 12.023 -4.770 -1.305
46 1HB GLU 10 2HB GLU 10 13.388 -5.927 0.707
47 2HB GLU 10 1HB GLU 10 14.180 -5.018 -0.578
48 1HG GLU 10 2HG GLU 10 13.984 -2.959 0.874
49 2HG GLU 10 1HG GLU 10 13.430 -4.012 2.179
50 H TYR 11 H TYR 11 9.735 -5.009 -0.957
51 HA TYR 11 HA TYR 11 8.874 -5.854 1.748
52 1HB TYR 11 2HB TYR 11 7.530 -4.983 -0.774
53 2HB TYR 11 1HB TYR 11 6.606 -5.966 0.360
54 HD1 TYR 11 1HD TYR 11 5.571 -4.894 2.199
55 HD2 TYR 11 2HD TYR 11 8.930 -3.061 0.265
56 HE1 TYR 11 1HE TYR 11 5.326 -2.902 3.664
57 HE2 TYR 11 2HE TYR 11 8.698 -1.085 1.715
58 HH TYR 11 HH TYR 11 7.735 -0.384 3.739
59 HA PRO 12 HA PRO 12 6.506 -6.770 1.806
60 1HB PRO 12 2HB PRO 12 5.680 -8.880 3.339
61 2HB PRO 12 1HB PRO 12 5.061 -8.550 1.712
62 1HG PRO 12 2HG PRO 12 6.950 -10.672 2.604
63 2HG PRO 12 1HG PRO 12 5.870 -10.648 1.202
64 1HD PRO 12 2HD PRO 12 8.668 -10.166 1.172
65 2HD PRO 12 1HD PRO 12 7.535 -9.883 -0.166
66 H LYS 13 H LYS 13 6.280 -6.277 4.118
67 HA LYS 13 HA LYS 13 8.551 -7.147 5.827
68 1HB LYS 13 2HB LYS 13 7.667 -4.270 5.826
69 2HB LYS 13 1HB LYS 13 9.176 -4.952 6.424
70 1HG LYS 13 2HG LYS 13 8.412 -5.003 3.498
71 2HG LYS 13 1HG LYS 13 9.299 -3.665 4.213
72 1HD LYS 13 2HD LYS 13 10.226 -6.370 3.492
73 2HD LYS 13 1HD LYS 13 11.131 -4.867 3.614
74 1HE LYS 13 2HE LYS 13 10.231 -6.449 6.036
75 2HE LYS 13 1HE LYS 13 11.808 -6.649 5.277
76 1HZ LYS 13 1HZ LYS 13 12.507 -4.925 6.443
77 2HZ LYS 13 2HZ LYS 13 10.953 -4.651 7.071
78 3HZ LYS 13 3HZ LYS 13 11.419 -3.928 5.608
79 HA PRO 14 HA PRO 14 4.931 -7.455 8.442
80 1HB PRO 14 2HB PRO 14 6.196 -8.876 10.424
81 2HB PRO 14 1HB PRO 14 5.591 -9.609 8.928
82 1HG PRO 14 2HG PRO 14 8.401 -9.018 9.723
83 2HG PRO 14 1HG PRO 14 7.788 -10.228 8.585
84 1HD PRO 14 2HD PRO 14 8.960 -7.731 7.907
85 2HD PRO 14 1HD PRO 14 8.100 -8.825 6.803
86 H ALA 15 H ALA 15 7.447 -5.416 8.684
87 HA ALA 15 HA ALA 15 6.987 -4.703 11.539
88 1HB ALA 15 1HB ALA 15 9.281 -4.676 11.290
89 2HB ALA 15 2HB ALA 15 8.930 -3.011 10.825
90 3HB ALA 15 3HB ALA 15 9.197 -4.236 9.584
91 H CYS 16 H CYS 16 4.899 -3.734 11.176
92 HA CYS 16 HA CYS 16 5.105 -0.957 10.175
93 1HB CYS 16 2HB CYS 16 2.611 -2.263 9.304
94 2HB CYS 16 1HB CYS 16 3.638 -1.122 8.445
95 H THR 17 H THR 17 3.111 0.297 10.822
96 HA THR 17 HA THR 17 2.126 -0.735 13.433
97 HB THR 17 HB THR 17 1.283 1.946 12.997
98 HG1 THR 17 1HG THR 17 4.064 1.769 12.703
99 1HG2 THR 17 1HG2 THR 17 3.227 0.494 14.755
100 2HG2 THR 17 2HG2 THR 17 1.745 1.342 15.195
101 3HG2 THR 17 3HG2 THR 17 3.198 2.256 14.784
102 H MET 18 H MET 18 -0.233 0.324 13.843
103 HA MET 18 HA MET 18 -1.906 -0.847 11.718
104 1HB MET 18 2HB MET 18 -2.306 -0.001 14.553
105 2HB MET 18 1HB MET 18 -3.714 0.028 13.491
106 1HG MET 18 2HG MET 18 -3.021 -2.349 12.789
107 2HG MET 18 1HG MET 18 -1.958 -2.325 14.196
108 1HE MET 18 1HE MET 18 -4.401 -1.419 17.052
109 2HE MET 18 2HE MET 18 -3.084 -0.692 16.136
110 3HE MET 18 3HE MET 18 -2.894 -2.312 16.802
111 H GLU 19 H GLU 19 -0.390 1.802 11.501
112 HA GLU 19 HA GLU 19 -1.923 4.082 11.584
113 1HB GLU 19 2HB GLU 19 0.258 4.295 10.686
114 2HB GLU 19 1HB GLU 19 -0.044 3.085 9.440
115 1HG GLU 19 2HG GLU 19 -0.926 4.618 8.035
116 2HG GLU 19 1HG GLU 19 -1.935 5.309 9.306
117 H TYR 20 H TYR 20 -3.817 4.745 10.705
118 HA TYR 20 HA TYR 20 -5.233 2.891 8.896
119 1HB TYR 20 2HB TYR 20 -6.193 4.141 10.981
120 2HB TYR 20 1HB TYR 20 -6.332 5.496 9.862
121 HD1 TYR 20 1HD TYR 20 -8.513 5.723 9.071
122 HD2 TYR 20 2HD TYR 20 -6.853 1.790 9.546
123 HE1 TYR 20 1HE TYR 20 -10.583 4.738 8.124
124 HE2 TYR 20 2HE TYR 20 -8.923 0.803 8.600
125 HH TYR 20 HH TYR 20 -11.788 2.541 8.232
126 H ARG 21 H ARG 21 -3.072 4.139 7.644
127 HA ARG 21 HA ARG 21 -4.021 6.484 6.181
128 1HB ARG 21 2HB ARG 21 -1.545 5.767 6.709
129 2HB ARG 21 1HB ARG 21 -1.719 4.792 5.252
130 1HG ARG 21 2HG ARG 21 -1.681 6.608 3.889
131 2HG ARG 21 1HG ARG 21 -2.713 7.547 4.969
132 1HD ARG 21 2HD ARG 21 0.116 6.960 5.783
133 2HD ARG 21 1HD ARG 21 -0.203 8.255 4.628
134 HE ARG 21 HE ARG 21 -1.968 8.817 6.655
135 1HH1 ARG 21 1HH2 ARG 21 1.406 8.700 6.138
136 2HH1 ARG 21 2HH2 ARG 21 1.816 9.371 7.683
137 1HH2 ARG 21 1HH1 ARG 21 -1.458 9.426 8.822
138 2HH2 ARG 21 2HH1 ARG 21 0.193 9.782 9.201
139 HA PRO 22 HA PRO 22 -6.255 3.710 3.465
140 1HB PRO 22 2HB PRO 22 -7.661 5.709 2.204
141 2HB PRO 22 1HB PRO 22 -8.109 5.032 3.779
142 1HG PRO 22 2HG PRO 22 -6.847 7.662 3.160
143 2HG PRO 22 1HG PRO 22 -7.853 7.195 4.542
144 1HD PRO 22 2HD PRO 22 -5.032 7.443 4.548
145 2HD PRO 22 1HD PRO 22 -6.019 6.679 5.812
146 H LEU 23 H LEU 23 -5.198 2.908 1.715
147 HA LEU 23 HA LEU 23 -4.096 4.847 -0.275
148 1HB LEU 23 2HB LEU 23 -2.946 2.316 0.865
149 2HB LEU 23 1HB LEU 23 -2.513 2.806 -0.776
150 HG LEU 23 HG LEU 23 -2.424 5.025 1.124
151 1HD1 LEU 23 1HD1 LEU 23 -1.045 4.222 2.725
152 2HD1 LEU 23 2HD1 LEU 23 -0.066 3.344 1.549
153 3HD1 LEU 23 3HD1 LEU 23 -1.540 2.617 2.188
154 1HD2 LEU 23 1HD2 LEU 23 -0.066 5.102 0.068
155 2HD2 LEU 23 2HD2 LEU 23 -1.441 5.317 -1.015
156 3HD2 LEU 23 3HD2 LEU 23 -0.614 3.760 -0.937
157 H CYS 24 H CYS 24 -5.304 4.730 -2.096
158 HA CYS 24 HA CYS 24 -6.832 2.271 -2.658
159 1HB CYS 24 2HB CYS 24 -7.799 4.606 -2.936
160 2HB CYS 24 1HB CYS 24 -6.708 4.818 -4.303
161 H GLY 25 H GLY 25 -5.071 0.860 -3.186
162 1HA GLY 25 2HA GLY 25 -2.942 1.346 -4.944
163 2HA GLY 25 1HA GLY 25 -3.690 -0.238 -4.736
164 H SER 26 H SER 26 -2.672 0.929 -7.236
165 HA SER 26 HA SER 26 -4.699 1.979 -8.901
166 1HB SER 26 2HB SER 26 -3.382 0.906 -10.775
167 2HB SER 26 1HB SER 26 -2.426 1.907 -9.684
168 HG SER 26 HG SER 26 -2.311 -0.775 -10.170
169 H ASP 27 H ASP 27 -4.522 -1.127 -7.463
170 HA ASP 27 HA ASP 27 -6.140 -2.463 -9.517
171 1HB ASP 27 2HB ASP 27 -5.995 -4.401 -8.130
172 2HB ASP 27 1HB ASP 27 -4.423 -3.616 -8.012
173 H ASN 28 H ASN 28 -7.050 -0.018 -7.819
174 HA ASN 28 HA ASN 28 -9.082 0.720 -6.924
175 1HB ASN 28 2HB ASN 28 -9.807 -0.765 -8.998
176 2HB ASN 28 1HB ASN 28 -10.390 -1.855 -7.739
177 1HD2 ASN 28 1HD2 ASN 28 -12.574 -1.178 -8.782
178 2HD2 ASN 28 2HD2 ASN 28 -13.316 0.221 -8.172
179 H LYS 29 H LYS 29 -7.287 -0.605 -5.181
180 HA LYS 29 HA LYS 29 -9.233 -1.994 -3.377
181 1HB LYS 29 2HB LYS 29 -7.625 -3.614 -4.269
182 2HB LYS 29 1HB LYS 29 -6.285 -2.599 -3.732
183 1HG LYS 29 2HG LYS 29 -6.467 -3.292 -1.582
184 2HG LYS 29 1HG LYS 29 -8.229 -3.201 -1.611
185 1HD LYS 29 2HD LYS 29 -8.354 -5.339 -2.793
186 2HD LYS 29 1HD LYS 29 -6.593 -5.423 -2.868
187 1HE LYS 29 2HE LYS 29 -6.409 -5.643 -0.490
188 2HE LYS 29 1HE LYS 29 -8.108 -5.229 -0.254
189 1HZ LYS 29 1HZ LYS 29 -7.353 -7.558 -1.892
190 2HZ LYS 29 2HZ LYS 29 -8.807 -7.256 -1.065
191 3HZ LYS 29 3HZ LYS 29 -7.407 -7.686 -0.201
192 H THR 30 H THR 30 -9.007 -1.570 -1.132
193 HA THR 30 HA THR 30 -7.596 0.982 -0.543
194 HB THR 30 HB THR 30 -9.539 -0.532 1.223
195 HG1 THR 30 1HG THR 30 -10.696 -0.017 -0.551
196 1HG2 THR 30 1HG2 THR 30 -8.712 1.032 2.654
197 2HG2 THR 30 2HG2 THR 30 -9.786 2.123 1.779
198 3HG2 THR 30 3HG2 THR 30 -8.079 2.034 1.349
199 H TYR 31 H TYR 31 -6.044 1.105 1.137
200 HA TYR 31 HA TYR 31 -5.207 -1.499 2.317
201 1HB TYR 31 2HB TYR 31 -3.618 0.593 0.864
202 2HB TYR 31 1HB TYR 31 -2.848 -0.465 2.043
203 HD1 TYR 31 1HD TYR 31 -3.251 -0.132 -1.307
204 HD2 TYR 31 2HD TYR 31 -3.999 -3.036 1.764
205 HE1 TYR 31 1HE TYR 31 -3.204 -1.937 -3.004
206 HE2 TYR 31 2HE TYR 31 -3.953 -4.843 0.068
207 HH TYR 31 HH TYR 31 -4.209 -4.304 -3.191
208 H GLY 32 H GLY 32 -4.201 -1.340 4.384
209 1HA GLY 32 2HA GLY 32 -5.256 0.714 6.085
210 2HA GLY 32 1HA GLY 32 -4.031 -0.468 6.557
211 H ASN 33 H ASN 33 -2.194 0.352 4.379
212 HA ASN 33 HA ASN 33 -1.612 3.115 4.473
213 1HB ASN 33 2HB ASN 33 0.369 2.997 6.085
214 2HB ASN 33 1HB ASN 33 -1.235 2.989 6.815
215 1HD2 ASN 33 1HD2 ASN 33 -0.982 1.645 8.627
216 2HD2 ASN 33 2HD2 ASN 33 -0.353 0.070 8.568
217 H LYS 34 H LYS 34 1.090 3.220 4.408
218 HA LYS 34 HA LYS 34 1.724 2.183 1.842
219 1HB LYS 34 2HB LYS 34 2.926 4.087 2.365
220 2HB LYS 34 1HB LYS 34 3.219 3.579 4.025
221 1HG LYS 34 2HG LYS 34 4.449 1.967 1.823
222 2HG LYS 34 1HG LYS 34 5.164 3.531 2.211
223 1HD LYS 34 2HD LYS 34 4.511 1.866 4.562
224 2HD LYS 34 1HD LYS 34 5.769 1.204 3.519
225 1HE LYS 34 2HE LYS 34 5.821 4.090 4.395
226 2HE LYS 34 1HE LYS 34 6.519 2.814 5.392
227 1HZ LYS 34 1HZ LYS 34 7.718 4.088 3.273
228 2HZ LYS 34 2HZ LYS 34 7.316 2.549 2.680
229 3HZ LYS 34 3HZ LYS 34 8.278 2.701 4.071
230 H CYS 35 H CYS 35 2.453 0.861 5.092
231 HA CYS 35 HA CYS 35 4.316 -1.085 4.020
232 1HB CYS 35 2HB CYS 35 4.199 -0.225 6.427
233 2HB CYS 35 1HB CYS 35 2.824 -1.305 6.631
234 H ASN 36 H ASN 36 0.867 -1.059 4.767
235 HA ASN 36 HA ASN 36 0.537 -3.900 4.179
236 1HB ASN 36 2HB ASN 36 -0.969 -1.939 5.486
237 2HB ASN 36 1HB ASN 36 -1.872 -2.264 4.011
238 1HD2 ASN 36 1HD2 ASN 36 -0.457 -3.871 6.879
239 2HD2 ASN 36 2HD2 ASN 36 -1.470 -5.231 6.816
240 H PHE 37 H PHE 37 0.879 -1.035 2.392
241 HA PHE 37 HA PHE 37 -0.743 -1.827 0.096
242 1HB PHE 37 2HB PHE 37 -0.476 0.527 0.434
243 2HB PHE 37 1HB PHE 37 1.268 0.369 0.629
244 HD1 PHE 37 1HD PHE 37 2.607 0.936 -1.176
245 HD2 PHE 37 2HD PHE 37 -1.367 -0.508 -1.900
246 HE1 PHE 37 1HE PHE 37 2.940 1.248 -3.612
247 HE2 PHE 37 2HE PHE 37 -1.041 -0.197 -4.332
248 HZ PHE 37 HZ PHE 37 1.113 0.682 -5.193
249 H CYS 38 H CYS 38 2.755 -1.530 0.773
250 HA CYS 38 HA CYS 38 3.558 -2.701 -1.729
251 1HB CYS 38 2HB CYS 38 5.027 -2.473 0.913
252 2HB CYS 38 1HB CYS 38 5.777 -2.957 -0.608
253 H ASN 39 H ASN 39 2.467 -4.005 1.298
254 HA ASN 39 HA ASN 39 3.567 -6.667 0.876
255 1HB ASN 39 2HB ASN 39 1.650 -5.407 2.793
256 2HB ASN 39 1HB ASN 39 1.565 -7.157 2.586
257 1HD2 ASN 39 1HD2 ASN 39 3.149 -8.409 3.623
258 2HD2 ASN 39 2HD2 ASN 39 4.505 -7.767 4.416
259 H ALA 40 H ALA 40 0.381 -5.166 0.434
260 HA ALA 40 HA ALA 40 -0.883 -7.502 -0.652
261 1HB ALA 40 1HB ALA 40 -2.661 -6.107 -1.113
262 2HB ALA 40 2HB ALA 40 -1.625 -4.835 -1.763
263 3HB ALA 40 3HB ALA 40 -1.794 -5.031 -0.018
264 H VAL 41 H VAL 41 1.305 -5.097 -1.871
265 HA VAL 41 HA VAL 41 0.999 -5.733 -4.678
266 HB VAL 41 HB VAL 41 3.334 -4.484 -3.193
267 1HG1 VAL 41 1HG1 VAL 41 3.213 -5.477 -5.798
268 2HG1 VAL 41 2HG1 VAL 41 4.391 -4.319 -5.181
269 3HG1 VAL 41 3HG1 VAL 41 2.929 -3.746 -5.984
270 1HG2 VAL 41 1HG2 VAL 41 2.053 -2.634 -3.061
271 2HG2 VAL 41 2HG2 VAL 41 0.708 -3.514 -3.787
272 3HG2 VAL 41 3HG2 VAL 41 1.853 -2.650 -4.813
273 H VAL 42 H VAL 42 2.939 -6.972 -1.998
274 HA VAL 42 HA VAL 42 4.745 -8.552 -3.578
275 HB VAL 42 HB VAL 42 3.689 -8.896 -0.756
276 1HG1 VAL 42 1HG1 VAL 42 4.302 -11.090 -1.278
277 2HG1 VAL 42 2HG1 VAL 42 5.825 -10.434 -0.680
278 3HG1 VAL 42 3HG1 VAL 42 5.548 -10.575 -2.415
279 1HG2 VAL 42 1HG2 VAL 42 6.521 -8.443 -1.019
280 2HG2 VAL 42 2HG2 VAL 42 5.316 -7.424 -0.232
281 3HG2 VAL 42 3HG2 VAL 42 5.657 -7.221 -1.950
282 H GLU 43 H GLU 43 1.420 -8.918 -2.616
283 HA GLU 43 HA GLU 43 1.217 -11.757 -3.164
284 1HB GLU 43 2HB GLU 43 -0.987 -9.672 -3.271
285 2HB GLU 43 1HB GLU 43 -1.183 -11.409 -3.046
286 1HG GLU 43 2HG GLU 43 0.505 -9.822 -1.127
287 2HG GLU 43 1HG GLU 43 -1.250 -9.861 -0.945
288 H SER 44 H SER 44 0.709 -8.788 -5.022
289 HA SER 44 HA SER 44 -0.147 -10.245 -7.412
290 1HB SER 44 2HB SER 44 -0.467 -8.145 -8.379
291 2HB SER 44 1HB SER 44 -0.688 -7.773 -6.672
292 HG SER 44 HG SER 44 1.006 -6.665 -8.280
293 H ASN 45 H ASN 45 2.737 -10.169 -5.933
294 HA ASN 45 HA ASN 45 4.833 -10.899 -6.739
295 1HB ASN 45 2HB ASN 45 3.183 -11.396 -8.917
296 2HB ASN 45 1HB ASN 45 4.409 -10.312 -9.575
297 1HD2 ASN 45 1HD2 ASN 45 4.348 -13.122 -7.292
298 2HD2 ASN 45 2HD2 ASN 45 5.711 -13.878 -7.966
299 H GLY 46 H GLY 46 3.367 -7.927 -7.086
300 1HA GLY 46 2HA GLY 46 4.804 -5.955 -6.627
301 2HA GLY 46 1HA GLY 46 5.995 -6.652 -7.725
302 H THR 47 H THR 47 2.886 -7.183 -8.906
303 HA THR 47 HA THR 47 3.278 -5.057 -10.934
304 HB THR 47 HB THR 47 1.366 -6.249 -12.086
305 HG1 THR 47 1HG THR 47 1.056 -8.420 -11.152
306 1HG2 THR 47 1HG2 THR 47 3.615 -6.793 -12.746
307 2HG2 THR 47 2HG2 THR 47 2.745 -8.317 -12.567
308 3HG2 THR 47 3HG2 THR 47 3.856 -7.784 -11.306
309 H LEU 48 H LEU 48 2.367 -4.471 -8.159
310 HA LEU 48 HA LEU 48 -0.344 -3.348 -8.777
311 1HB LEU 48 2HB LEU 48 0.129 -5.019 -6.765
312 2HB LEU 48 1HB LEU 48 0.707 -3.550 -5.980
313 HG LEU 48 HG LEU 48 -1.518 -2.489 -6.769
314 1HD1 LEU 48 1HD1 LEU 48 -3.292 -4.447 -6.781
315 2HD1 LEU 48 2HD1 LEU 48 -1.922 -5.408 -7.339
316 3HD1 LEU 48 3HD1 LEU 48 -2.453 -4.007 -8.269
317 1HD2 LEU 48 1HD2 LEU 48 -1.015 -4.423 -4.560
318 2HD2 LEU 48 2HD2 LEU 48 -2.698 -3.978 -4.843
319 3HD2 LEU 48 3HD2 LEU 48 -1.503 -2.729 -4.483
320 H THR 49 H THR 49 -0.690 -1.144 -8.278
321 HA THR 49 HA THR 49 1.721 0.393 -7.432
322 HB THR 49 HB THR 49 1.462 1.970 -9.202
323 HG1 THR 49 1HG THR 49 -0.313 2.068 -10.443
324 1HG2 THR 49 1HG2 THR 49 2.595 -0.095 -9.875
325 2HG2 THR 49 2HG2 THR 49 1.655 0.544 -11.224
326 3HG2 THR 49 3HG2 THR 49 1.046 -0.827 -10.295
327 H LEU 50 H LEU 50 0.310 2.881 -7.945
328 HA LEU 50 HA LEU 50 -1.708 2.752 -5.747
329 1HB LEU 50 2HB LEU 50 0.078 3.939 -4.801
330 2HB LEU 50 1HB LEU 50 0.521 4.693 -6.328
331 HG LEU 50 HG LEU 50 -1.812 5.877 -6.127
332 1HD1 LEU 50 1HD1 LEU 50 -2.684 6.116 -3.924
333 2HD1 LEU 50 2HD1 LEU 50 -1.260 5.367 -3.200
334 3HD1 LEU 50 3HD1 LEU 50 -2.402 4.386 -4.123
335 1HD2 LEU 50 1HD2 LEU 50 0.402 6.982 -5.979
336 2HD2 LEU 50 2HD2 LEU 50 0.478 6.575 -4.265
337 3HD2 LEU 50 3HD2 LEU 50 -0.754 7.691 -4.852
338 H SER 51 H SER 51 -3.466 4.259 -5.952
339 HA SER 51 HA SER 51 -3.899 5.254 -8.737
340 1HB SER 51 2HB SER 51 -5.865 4.136 -8.815
341 2HB SER 51 1HB SER 51 -5.399 3.330 -7.323
342 HG SER 51 HG SER 51 -6.770 5.810 -7.563
343 H HIS 52 H HIS 52 -4.350 5.755 -5.279
344 HA HIS 52 HA HIS 52 -3.990 8.540 -5.396
345 1HB HIS 52 2HB HIS 52 -6.094 9.520 -5.483
346 2HB HIS 52 1HB HIS 52 -6.326 8.175 -6.590
347 HD1 HIS 52 1HD HIS 52 -7.512 5.994 -5.516
348 HD2 HIS 52 2HD HIS 52 -7.780 9.496 -3.273
349 HE1 HIS 52 1HE HIS 52 -9.356 5.622 -3.820
350 H PHE 53 H PHE 53 -3.007 8.573 -3.452
351 HA PHE 53 HA PHE 53 -3.273 6.911 -1.279
352 1HB PHE 53 2HB PHE 53 -2.802 9.903 -1.297
353 2HB PHE 53 1HB PHE 53 -2.588 8.890 0.124
354 HD1 PHE 53 1HD PHE 53 -1.331 9.643 -3.264
355 HD2 PHE 53 2HD PHE 53 -0.745 7.325 0.305
356 HE1 PHE 53 1HE PHE 53 0.937 9.013 -4.044
357 HE2 PHE 53 2HE PHE 53 1.522 6.696 -0.477
358 HZ PHE 53 HZ PHE 53 2.362 7.540 -2.651
359 H GLY 54 H GLY 54 -5.396 6.245 -0.858
360 1HA GLY 54 2HA GLY 54 -6.929 7.486 1.075
361 2HA GLY 54 1HA GLY 54 -7.553 8.151 -0.436
362 H LYS 55 H LYS 55 -9.370 6.714 0.907
363 HA LYS 55 HA LYS 55 -9.247 3.877 0.196
364 1HB LYS 55 2HB LYS 55 -11.531 3.790 1.140
365 2HB LYS 55 1HB LYS 55 -10.425 4.616 2.239
366 1HG LYS 55 2HG LYS 55 -11.234 6.780 1.543
367 2HG LYS 55 1HG LYS 55 -12.183 6.063 0.241
368 1HD LYS 55 2HD LYS 55 -13.904 5.628 1.630
369 2HD LYS 55 1HD LYS 55 -12.836 4.847 2.796
370 1HE LYS 55 2HE LYS 55 -12.798 6.674 4.120
371 2HE LYS 55 1HE LYS 55 -12.461 7.740 2.755
372 1HZ LYS 55 1HZ LYS 55 -14.812 7.577 4.130
373 2HZ LYS 55 2HZ LYS 55 -15.127 6.718 2.699
374 3HZ LYS 55 3HZ LYS 55 -14.586 8.326 2.627
375 H CYS 56 H CYS 56 -10.713 2.850 -1.308
376 HA CYS 56 HA CYS 56 -11.299 4.575 -3.634
377 1HB CYS 56 2HB CYS 56 -11.828 1.617 -3.545
378 2HB CYS 56 1HB CYS 56 -11.334 2.615 -4.913