NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
2362 |
1brz   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN PCA 1 HN PCA 1 -14.023 -19.026 -4.607
2 HA PCA 1 HA PCA 1 -15.465 -18.611 -2.525
3 1HB PCA 1 1HB PCA 1 -15.259 -16.574 -1.558
4 2HB PCA 1 2HB PCA 1 -15.754 -15.756 -3.059
5 1HG PCA 1 1HG PCA 1 -13.061 -16.203 -2.008
6 2HG PCA 1 2HG PCA 1 -13.557 -15.228 -3.403
7 H ASP 2 H ASP 2 -17.593 -18.906 -2.889
8 HA ASP 2 HA ASP 2 -18.571 -18.661 -5.585
9 1HB ASP 2 2HB ASP 2 -20.262 -19.431 -3.220
10 2HB ASP 2 1HB ASP 2 -20.402 -19.958 -4.895
11 H LYS 3 H LYS 3 -18.169 -16.389 -3.359
12 HA LYS 3 HA LYS 3 -20.268 -14.728 -4.449
13 1HB LYS 3 2HB LYS 3 -21.696 -15.060 -2.733
14 2HB LYS 3 1HB LYS 3 -20.482 -15.920 -1.801
15 1HG LYS 3 2HG LYS 3 -19.642 -13.887 -0.879
16 2HG LYS 3 1HG LYS 3 -20.640 -12.918 -1.962
17 1HD LYS 3 2HD LYS 3 -21.729 -14.823 0.109
18 2HD LYS 3 1HD LYS 3 -21.518 -13.089 0.368
19 1HE LYS 3 2HE LYS 3 -23.589 -14.533 -1.135
20 2HE LYS 3 1HE LYS 3 -23.647 -12.946 -0.370
21 1HZ LYS 3 2HZ LYS 3 -22.121 -13.342 -2.860
22 2HZ LYS 3 1HZ LYS 3 -23.797 -13.113 -2.914
23 3HZ LYS 3 3HZ LYS 3 -22.800 -11.923 -2.241
24 H CYS 4 H CYS 4 -19.918 -12.491 -4.120
25 HA CYS 4 HA CYS 4 -17.547 -11.656 -2.693
26 1HB CYS 4 2HB CYS 4 -17.456 -12.158 -5.508
27 2HB CYS 4 1HB CYS 4 -17.287 -10.424 -5.255
28 H LYS 5 H LYS 5 -20.531 -11.228 -2.803
29 HA LYS 5 HA LYS 5 -20.426 -8.311 -2.622
30 1HB LYS 5 2HB LYS 5 -22.664 -8.208 -3.791
31 2HB LYS 5 1HB LYS 5 -21.285 -8.558 -4.817
32 1HG LYS 5 2HG LYS 5 -22.776 -10.865 -3.702
33 2HG LYS 5 1HG LYS 5 -23.560 -9.922 -4.970
34 1HD LYS 5 2HD LYS 5 -20.730 -10.754 -5.373
35 2HD LYS 5 1HD LYS 5 -21.992 -11.976 -5.538
36 1HE LYS 5 2HE LYS 5 -23.034 -10.816 -7.298
37 2HE LYS 5 1HE LYS 5 -22.142 -9.334 -6.958
38 1HZ LYS 5 1HZ LYS 5 -20.343 -11.444 -7.514
39 2HZ LYS 5 3HZ LYS 5 -21.474 -11.322 -8.765
40 3HZ LYS 5 2HZ LYS 5 -20.546 -9.978 -8.331
41 H LYS 6 H LYS 6 -21.231 -7.693 -0.733
42 HA LYS 6 HA LYS 6 -22.969 -9.542 0.745
43 1HB LYS 6 2HB LYS 6 -21.110 -7.341 1.559
44 2HB LYS 6 1HB LYS 6 -22.405 -7.835 2.643
45 1HG LYS 6 2HG LYS 6 -20.246 -8.939 3.109
46 2HG LYS 6 1HG LYS 6 -21.550 -10.070 2.745
47 1HD LYS 6 2HD LYS 6 -20.677 -10.605 0.662
48 2HD LYS 6 1HD LYS 6 -19.733 -9.116 0.566
49 1HE LYS 6 2HE LYS 6 -18.179 -9.923 2.201
50 2HE LYS 6 1HE LYS 6 -19.185 -11.330 2.535
51 1HZ LYS 6 3HZ LYS 6 -18.808 -11.737 -0.012
52 2HZ LYS 6 2HZ LYS 6 -17.424 -10.802 0.256
53 3HZ LYS 6 1HZ LYS 6 -17.658 -12.231 1.128
54 H VAL 7 H VAL 7 -25.057 -9.147 1.002
55 HA VAL 7 HA VAL 7 -26.286 -6.878 -0.143
56 HB VAL 7 HB VAL 7 -28.303 -7.853 0.275
57 1HG1 VAL 7 2HG1 VAL 7 -26.866 -9.480 -0.855
58 2HG1 VAL 7 1HG1 VAL 7 -26.446 -10.185 0.706
59 3HG1 VAL 7 3HG1 VAL 7 -28.108 -10.263 0.123
60 1HG2 VAL 7 1HG2 VAL 7 -27.169 -8.862 2.881
61 2HG2 VAL 7 3HG2 VAL 7 -28.421 -7.641 2.644
62 3HG2 VAL 7 2HG2 VAL 7 -28.754 -9.331 2.267
63 H TYR 8 H TYR 8 -26.733 -4.938 0.660
64 HA TYR 8 HA TYR 8 -25.754 -4.108 3.164
65 1HB TYR 8 2HB TYR 8 -26.372 -2.701 1.058
66 2HB TYR 8 1HB TYR 8 -27.990 -2.676 1.750
67 HD1 TYR 8 HD2 TYR 8 -28.013 -1.988 4.350
68 HD2 TYR 8 HD1 TYR 8 -24.984 -0.944 1.552
69 HE1 TYR 8 HE2 TYR 8 -27.374 -0.087 5.762
70 HE2 TYR 8 HE1 TYR 8 -24.334 0.961 2.957
71 HH TYR 8 HH TYR 8 -24.735 2.100 4.816
72 H GLU 9 H GLU 9 -26.706 -5.913 4.412
73 HA GLU 9 HA GLU 9 -28.575 -7.000 5.410
74 1HB GLU 9 2HB GLU 9 -28.420 -4.398 6.915
75 2HB GLU 9 1HB GLU 9 -28.724 -6.011 7.552
76 1HG GLU 9 2HG GLU 9 -26.545 -5.755 8.164
77 2HG GLU 9 1HG GLU 9 -26.324 -6.483 6.571
78 H ASN 10 H ASN 10 -30.188 -4.605 6.874
79 HA ASN 10 HA ASN 10 -32.609 -5.018 5.529
80 1HB ASN 10 2HB ASN 10 -32.477 -4.128 7.832
81 2HB ASN 10 1HB ASN 10 -31.801 -2.627 7.208
82 1HD2 ASN 10 2HD2 ASN 10 -35.299 -1.864 7.688
83 2HD2 ASN 10 1HD2 ASN 10 -33.858 -2.113 8.609
84 H TYR 11 H TYR 11 -32.581 -1.749 5.672
85 HA TYR 11 HA TYR 11 -31.971 -0.045 4.201
86 1HB TYR 11 2HB TYR 11 -30.338 -1.707 3.113
87 2HB TYR 11 1HB TYR 11 -31.636 -2.011 1.958
88 HD1 TYR 11 HD1 TYR 11 -32.626 0.059 0.757
89 HD2 TYR 11 HD2 TYR 11 -28.868 0.062 2.751
90 HE1 TYR 11 HE1 TYR 11 -31.940 2.027 -0.547
91 HE2 TYR 11 HE2 TYR 11 -28.172 2.030 1.453
92 HH TYR 11 HH TYR 11 -29.135 2.971 -1.129
93 HA PRO 12 HA PRO 12 -36.465 -0.360 3.224
94 1HB PRO 12 2HB PRO 12 -35.899 2.552 2.868
95 2HB PRO 12 1HB PRO 12 -37.251 1.760 3.685
96 1HG PRO 12 2HG PRO 12 -35.275 2.867 5.087
97 2HG PRO 12 1HG PRO 12 -36.019 1.342 5.604
98 1HD PRO 12 2HD PRO 12 -33.375 1.821 4.315
99 2HD PRO 12 1HD PRO 12 -33.844 0.593 5.510
100 H VAL 13 H VAL 13 -36.805 -1.165 1.241
101 HA VAL 13 HA VAL 13 -35.327 -0.747 -1.042
102 HB VAL 13 HB VAL 13 -38.284 -1.355 -0.909
103 1HG1 VAL 13 2HG1 VAL 13 -36.272 -1.737 -3.121
104 2HG1 VAL 13 1HG1 VAL 13 -37.891 -2.434 -3.112
105 3HG1 VAL 13 3HG1 VAL 13 -37.686 -0.683 -3.137
106 1HG2 VAL 13 3HG2 VAL 13 -35.833 -3.022 -0.592
107 2HG2 VAL 13 2HG2 VAL 13 -37.360 -3.085 0.288
108 3HG2 VAL 13 1HG2 VAL 13 -37.260 -3.728 -1.350
109 H SER 14 H SER 14 -38.331 0.889 -0.104
110 HA SER 14 HA SER 14 -39.438 2.585 -1.320
111 1HB SER 14 2HB SER 14 -38.600 4.644 -0.412
112 2HB SER 14 1HB SER 14 -38.346 3.381 0.792
113 HG SER 14 HG SER 14 -36.531 4.887 0.274
114 H LYS 15 H LYS 15 -36.102 3.700 -1.716
115 HA LYS 15 HA LYS 15 -36.595 4.807 -4.258
116 1HB LYS 15 2HB LYS 15 -34.825 5.563 -2.679
117 2HB LYS 15 1HB LYS 15 -33.907 4.113 -3.058
118 1HG LYS 15 2HG LYS 15 -32.932 5.645 -4.456
119 2HG LYS 15 1HG LYS 15 -34.157 4.951 -5.519
120 1HD LYS 15 2HD LYS 15 -35.665 6.819 -4.959
121 2HD LYS 15 1HD LYS 15 -34.391 7.523 -3.960
122 1HE LYS 15 2HE LYS 15 -34.406 8.612 -6.108
123 2HE LYS 15 1HE LYS 15 -32.942 7.641 -5.958
124 1HZ LYS 15 2HZ LYS 15 -34.270 5.861 -7.174
125 2HZ LYS 15 1HZ LYS 15 -35.347 7.097 -7.585
126 3HZ LYS 15 3HZ LYS 15 -33.732 7.183 -8.083
127 H CYS 16 H CYS 16 -33.890 2.594 -3.909
128 HA CYS 16 HA CYS 16 -33.018 1.284 -5.611
129 1HB CYS 16 2HB CYS 16 -35.360 -0.015 -4.314
130 2HB CYS 16 1HB CYS 16 -34.648 -0.839 -5.695
131 H GLN 17 H GLN 17 -33.278 2.678 -7.407
132 HA GLN 17 HA GLN 17 -35.114 1.583 -9.398
133 1HB GLN 17 2HB GLN 17 -35.114 4.380 -8.381
134 2HB GLN 17 1HB GLN 17 -35.325 4.158 -10.113
135 1HG GLN 17 2HG GLN 17 -37.187 2.573 -9.594
136 2HG GLN 17 1HG GLN 17 -37.044 3.064 -7.906
137 1HE2 GLN 17 2HE2 GLN 17 -39.590 5.315 -8.775
138 2HE2 GLN 17 1HE2 GLN 17 -39.220 3.794 -8.044
139 H LEU 18 H LEU 18 -32.175 3.156 -8.530
140 HA LEU 18 HA LEU 18 -30.862 2.329 -10.913
141 1HB LEU 18 2HB LEU 18 -31.871 5.073 -10.709
142 2HB LEU 18 1HB LEU 18 -30.154 4.998 -11.058
143 HG LEU 18 HG LEU 18 -32.093 3.391 -12.667
144 1HD1 LEU 18 3HD1 LEU 18 -31.393 6.291 -13.061
145 2HD1 LEU 18 2HD1 LEU 18 -32.151 5.270 -14.284
146 3HD1 LEU 18 1HD1 LEU 18 -32.994 5.610 -12.772
147 1HD2 LEU 18 3HD2 LEU 18 -29.650 2.986 -12.834
148 2HD2 LEU 18 2HD2 LEU 18 -30.387 3.510 -14.348
149 3HD2 LEU 18 1HD2 LEU 18 -29.454 4.653 -13.380
150 H ALA 19 H ALA 19 -28.570 3.631 -10.888
151 HA ALA 19 HA ALA 19 -27.153 2.645 -8.721
152 1HB ALA 19 2HB ALA 19 -26.226 3.350 -10.945
153 2HB ALA 19 1HB ALA 19 -26.292 5.012 -10.357
154 3HB ALA 19 3HB ALA 19 -25.271 3.828 -9.540
155 H ASN 20 H ASN 20 -25.475 4.788 -8.054
156 HA ASN 20 HA ASN 20 -25.161 6.489 -6.622
157 1HB ASN 20 2HB ASN 20 -27.093 7.574 -7.814
158 2HB ASN 20 1HB ASN 20 -28.145 6.924 -6.562
159 1HD2 ASN 20 2HD2 ASN 20 -27.558 9.477 -4.373
160 2HD2 ASN 20 1HD2 ASN 20 -28.521 8.147 -4.909
161 H GLN 21 H GLN 21 -28.325 5.768 -5.296
162 HA GLN 21 HA GLN 21 -27.865 5.713 -2.706
163 1HB GLN 21 2HB GLN 21 -29.658 4.123 -4.408
164 2HB GLN 21 1HB GLN 21 -29.393 3.438 -2.809
165 1HG GLN 21 2HG GLN 21 -31.362 4.929 -2.961
166 2HG GLN 21 1HG GLN 21 -30.181 5.422 -1.748
167 1HE2 GLN 21 2HE2 GLN 21 -29.321 8.429 -3.328
168 2HE2 GLN 21 1HE2 GLN 21 -28.852 7.229 -2.177
169 H CYS 22 H CYS 22 -28.063 2.385 -3.794
170 HA CYS 22 HA CYS 22 -26.379 1.386 -1.832
171 1HB CYS 22 2HB CYS 22 -26.531 -0.055 -4.437
172 2HB CYS 22 1HB CYS 22 -26.681 -0.678 -2.802
173 H ASN 23 H ASN 23 -25.591 2.187 -5.201
174 HA ASN 23 HA ASN 23 -23.009 1.239 -5.306
175 1HB ASN 23 2HB ASN 23 -24.574 2.583 -7.034
176 2HB ASN 23 1HB ASN 23 -23.471 3.881 -6.584
177 1HD2 ASN 23 1HD2 ASN 23 -21.217 3.570 -6.942
178 2HD2 ASN 23 2HD2 ASN 23 -20.669 2.487 -8.170
179 H TYR 24 H TYR 24 -23.675 4.707 -4.850
180 HA TYR 24 HA TYR 24 -21.177 5.446 -3.986
181 1HB TYR 24 2HB TYR 24 -22.412 7.323 -4.341
182 2HB TYR 24 1HB TYR 24 -23.892 6.584 -3.757
183 HD1 TYR 24 HD1 TYR 24 -20.670 7.038 -1.951
184 HD2 TYR 24 HD2 TYR 24 -24.759 8.165 -2.288
185 HE1 TYR 24 HE1 TYR 24 -20.484 8.313 0.142
186 HE2 TYR 24 HE2 TYR 24 -24.584 9.444 -0.194
187 HH TYR 24 HH TYR 24 -21.730 9.296 1.820
188 H ASP 25 H ASP 25 -23.944 4.790 -1.805
189 HA ASP 25 HA ASP 25 -22.619 4.993 0.590
190 1HB ASP 25 2HB ASP 25 -24.969 3.391 -0.314
191 2HB ASP 25 1HB ASP 25 -24.318 3.096 1.296
192 H CYS 26 H CYS 26 -23.030 1.959 -1.253
193 HA CYS 26 HA CYS 26 -21.529 0.379 0.461
194 1HB CYS 26 2HB CYS 26 -21.762 0.165 -2.553
195 2HB CYS 26 1HB CYS 26 -21.130 -1.097 -1.505
196 H LYS 27 H LYS 27 -20.514 2.426 -2.221
197 HA LYS 27 HA LYS 27 -17.797 1.734 -2.237
198 1HB LYS 27 2HB LYS 27 -19.310 3.218 -3.851
199 2HB LYS 27 1HB LYS 27 -18.587 4.520 -2.919
200 1HG LYS 27 2HG LYS 27 -16.406 3.930 -3.602
201 2HG LYS 27 1HG LYS 27 -16.950 2.381 -4.249
202 1HD LYS 27 2HD LYS 27 -17.872 3.335 -6.129
203 2HD LYS 27 1HD LYS 27 -18.109 4.900 -5.347
204 1HE LYS 27 2HE LYS 27 -15.639 5.204 -5.347
205 2HE LYS 27 1HE LYS 27 -15.498 3.708 -6.271
206 1HZ LYS 27 2HZ LYS 27 -17.269 5.803 -7.294
207 2HZ LYS 27 1HZ LYS 27 -15.601 6.029 -7.449
208 3HZ LYS 27 3HZ LYS 27 -16.338 4.671 -8.137
209 H LEU 28 H LEU 28 -19.234 2.726 0.436
210 HA LEU 28 HA LEU 28 -16.808 3.777 1.533
211 1HB LEU 28 2HB LEU 28 -17.840 5.741 0.341
212 2HB LEU 28 1HB LEU 28 -19.153 5.662 1.498
213 HG LEU 28 HG LEU 28 -16.267 6.047 2.285
214 1HD1 LEU 28 3HD1 LEU 28 -18.383 8.028 1.548
215 2HD1 LEU 28 2HD1 LEU 28 -17.129 8.440 2.720
216 3HD1 LEU 28 1HD1 LEU 28 -16.684 7.978 1.076
217 1HD2 LEU 28 1HD2 LEU 28 -18.832 5.840 3.741
218 2HD2 LEU 28 3HD2 LEU 28 -17.194 5.438 4.254
219 3HD2 LEU 28 2HD2 LEU 28 -17.737 7.114 4.276
220 H ASP 29 H ASP 29 -20.331 3.516 2.067
221 HA ASP 29 HA ASP 29 -20.122 3.516 4.890
222 1HB ASP 29 2HB ASP 29 -22.271 2.852 2.932
223 2HB ASP 29 1HB ASP 29 -22.462 2.278 4.586
224 H LYS 30 H LYS 30 -19.361 1.152 2.584
225 HA LYS 30 HA LYS 30 -18.965 -0.811 4.716
226 1HB LYS 30 2HB LYS 30 -20.443 -1.342 2.136
227 2HB LYS 30 1HB LYS 30 -19.777 -2.619 3.146
228 1HG LYS 30 2HG LYS 30 -21.295 -0.973 4.862
229 2HG LYS 30 1HG LYS 30 -22.274 -1.209 3.416
230 1HD LYS 30 2HD LYS 30 -20.960 -3.459 4.938
231 2HD LYS 30 1HD LYS 30 -22.606 -2.905 5.244
232 1HE LYS 30 2HE LYS 30 -23.130 -4.519 3.745
233 2HE LYS 30 1HE LYS 30 -22.719 -3.270 2.571
234 1HZ LYS 30 3HZ LYS 30 -20.382 -4.210 2.702
235 2HZ LYS 30 2HZ LYS 30 -21.066 -5.548 3.476
236 3HZ LYS 30 1HZ LYS 30 -21.538 -5.150 1.902
237 H HIS 31 H HIS 31 -17.221 0.966 3.210
238 HA HIS 31 HA HIS 31 -15.399 0.947 1.780
239 1HB HIS 31 2HB HIS 31 -14.589 -1.485 3.338
240 2HB HIS 31 1HB HIS 31 -13.610 -0.110 2.838
241 HD1 HIS 31 HD1 HIS 31 -14.677 -1.488 5.804
242 HD2 HIS 31 HD2 HIS 31 -14.986 2.355 4.254
243 HE1 HIS 31 HE1 HIS 31 -15.017 0.014 7.793
244 HE2 HIS 31 HE2 HIS 31 -15.276 2.326 6.824
245 H ALA 32 H ALA 32 -17.511 -0.428 0.506
246 HA ALA 32 HA ALA 32 -16.389 -2.892 -0.545
247 1HB ALA 32 1HB ALA 32 -19.007 -1.493 -0.795
248 2HB ALA 32 3HB ALA 32 -18.547 -2.680 -2.016
249 3HB ALA 32 2HB ALA 32 -18.657 -3.155 -0.322
250 H ARG 33 H ARG 33 -16.944 -3.016 -3.114
251 HA ARG 33 HA ARG 33 -15.163 -1.028 -4.289
252 1HB ARG 33 2HB ARG 33 -15.116 -3.673 -4.564
253 2HB ARG 33 1HB ARG 33 -16.274 -3.334 -5.838
254 1HG ARG 33 2HG ARG 33 -14.597 -2.870 -7.228
255 2HG ARG 33 1HG ARG 33 -14.130 -1.522 -6.200
256 1HD ARG 33 2HD ARG 33 -12.183 -2.758 -6.287
257 2HD ARG 33 1HD ARG 33 -12.912 -3.353 -4.798
258 HE ARG 33 HE ARG 33 -13.837 -5.057 -6.707
259 1HH1 ARG 33 1HH2 ARG 33 -10.676 -3.989 -5.715
260 2HH1 ARG 33 2HH2 ARG 33 -9.887 -5.458 -6.184
261 1HH2 ARG 33 2HH1 ARG 33 -12.816 -6.996 -7.332
262 2HH2 ARG 33 1HH1 ARG 33 -11.107 -7.170 -7.108
263 H SER 34 H SER 34 -18.430 -2.298 -4.582
264 HA SER 34 HA SER 34 -19.382 0.152 -5.703
265 1HB SER 34 2HB SER 34 -19.641 -0.358 -7.902
266 2HB SER 34 1HB SER 34 -18.382 -1.557 -7.598
267 HG SER 34 HG SER 34 -19.809 -3.101 -7.778
268 H GLY 35 H GLY 35 -21.733 -1.013 -6.922
269 1HA GLY 35 2HA GLY 35 -23.098 -2.918 -5.537
270 2HA GLY 35 1HA GLY 35 -23.222 -1.503 -4.506
271 H GLU 36 H GLU 36 -25.487 -2.600 -5.400
272 HA GLU 36 HA GLU 36 -26.832 -0.486 -6.645
273 1HB GLU 36 2HB GLU 36 -25.445 -1.993 -8.514
274 2HB GLU 36 1HB GLU 36 -27.067 -2.662 -8.596
275 1HG GLU 36 2HG GLU 36 -26.434 0.269 -8.834
276 2HG GLU 36 1HG GLU 36 -26.625 -0.825 -10.203
277 H CYS 37 H CYS 37 -29.144 -1.211 -7.289
278 HA CYS 37 HA CYS 37 -30.050 -2.998 -5.196
279 1HB CYS 37 2HB CYS 37 -31.466 -1.131 -7.081
280 2HB CYS 37 1HB CYS 37 -32.356 -2.289 -6.097
281 H PHE 38 H PHE 38 -30.623 -5.061 -5.475
282 HA PHE 38 HA PHE 38 -31.398 -5.991 -8.145
283 1HB PHE 38 2HB PHE 38 -29.106 -7.073 -6.514
284 2HB PHE 38 1HB PHE 38 -29.911 -8.039 -7.745
285 HD1 PHE 38 HD2 PHE 38 -30.263 -6.601 -10.023
286 HD2 PHE 38 HD1 PHE 38 -27.139 -6.104 -7.175
287 HE1 PHE 38 HE2 PHE 38 -28.841 -5.594 -11.763
288 HE2 PHE 38 HE1 PHE 38 -25.712 -5.096 -8.905
289 HZ PHE 38 HZ PHE 38 -26.562 -4.840 -11.206
290 H TYR 39 H TYR 39 -32.234 -8.260 -8.089
291 HA TYR 39 HA TYR 39 -33.259 -9.099 -5.496
292 1HB TYR 39 2HB TYR 39 -35.565 -9.281 -6.318
293 2HB TYR 39 1HB TYR 39 -34.997 -7.632 -6.285
294 HD1 TYR 39 HD2 TYR 39 -33.467 -8.957 -9.098
295 HD2 TYR 39 HD1 TYR 39 -37.286 -7.776 -7.637
296 HE1 TYR 39 HE2 TYR 39 -34.233 -8.627 -11.407
297 HE2 TYR 39 HE1 TYR 39 -38.064 -7.437 -9.952
298 HH TYR 39 HH TYR 39 -36.106 -8.361 -12.708
299 H ASP 40 H ASP 40 -34.838 -11.117 -6.004
300 HA ASP 40 HA ASP 40 -33.354 -12.883 -7.849
301 1HB ASP 40 2HB ASP 40 -34.168 -14.697 -6.134
302 2HB ASP 40 1HB ASP 40 -32.725 -13.745 -5.799
303 H GLU 41 H GLU 41 -34.778 -15.049 -8.013
304 HA GLU 41 HA GLU 41 -36.986 -14.344 -9.598
305 1HB GLU 41 2HB GLU 41 -35.458 -16.637 -9.124
306 2HB GLU 41 1HB GLU 41 -37.090 -17.106 -8.683
307 1HG GLU 41 2HG GLU 41 -36.290 -15.882 -11.314
308 2HG GLU 41 1HG GLU 41 -36.540 -17.602 -11.022
309 H LYS 42 H LYS 42 -37.437 -13.107 -7.162
310 HA LYS 42 HA LYS 42 -39.957 -14.381 -6.362
311 1HB LYS 42 2HB LYS 42 -37.621 -14.151 -4.698
312 2HB LYS 42 1HB LYS 42 -38.901 -13.159 -4.019
313 1HG LYS 42 2HG LYS 42 -39.294 -16.036 -4.790
314 2HG LYS 42 1HG LYS 42 -38.773 -15.525 -3.184
315 1HD LYS 42 2HD LYS 42 -41.279 -14.490 -4.496
316 2HD LYS 42 1HD LYS 42 -41.259 -15.937 -3.488
317 1HE LYS 42 2HE LYS 42 -40.108 -14.386 -1.745
318 2HE LYS 42 1HE LYS 42 -40.782 -13.084 -2.721
319 1HZ LYS 42 1HZ LYS 42 -42.737 -15.077 -2.191
320 2HZ LYS 42 3HZ LYS 42 -42.067 -14.502 -0.747
321 3HZ LYS 42 2HZ LYS 42 -42.774 -13.422 -1.841
322 H ARG 43 H ARG 43 -38.032 -11.547 -6.856
323 HA ARG 43 HA ARG 43 -38.807 -9.464 -7.507
324 1HB ARG 43 2HB ARG 43 -41.126 -10.714 -7.657
325 2HB ARG 43 1HB ARG 43 -41.445 -9.851 -6.159
326 1HG ARG 43 2HG ARG 43 -42.283 -8.370 -7.677
327 2HG ARG 43 1HG ARG 43 -40.624 -7.783 -7.553
328 1HD ARG 43 2HD ARG 43 -40.174 -9.421 -9.517
329 2HD ARG 43 1HD ARG 43 -41.921 -9.356 -9.745
330 HE ARG 43 HE ARG 43 -40.044 -7.124 -10.061
331 1HH1 ARG 43 1HH2 ARG 43 -43.263 -8.425 -10.361
332 2HH1 ARG 43 2HH2 ARG 43 -43.837 -7.121 -11.345
333 1HH2 ARG 43 2HH1 ARG 43 -40.795 -5.401 -11.353
334 2HH2 ARG 43 1HH1 ARG 43 -42.436 -5.401 -11.907
335 H ASN 44 H ASN 44 -37.148 -9.480 -5.587
336 HA ASN 44 HA ASN 44 -38.218 -7.617 -3.612
337 1HB ASN 44 2HB ASN 44 -36.750 -10.171 -2.955
338 2HB ASN 44 1HB ASN 44 -36.815 -8.814 -1.834
339 1HD2 ASN 44 2HD2 ASN 44 -39.599 -10.412 -0.494
340 2HD2 ASN 44 1HD2 ASN 44 -37.935 -9.987 -0.304
341 H LEU 45 H LEU 45 -37.084 -5.855 -4.141
342 HA LEU 45 HA LEU 45 -34.321 -6.054 -4.987
343 1HB LEU 45 2HB LEU 45 -36.309 -3.821 -4.825
344 2HB LEU 45 1HB LEU 45 -34.612 -3.493 -5.113
345 HG LEU 45 HG LEU 45 -36.217 -5.345 -6.866
346 1HD1 LEU 45 3HD1 LEU 45 -35.971 -2.369 -6.912
347 2HD1 LEU 45 2HD1 LEU 45 -36.113 -3.266 -8.424
348 3HD1 LEU 45 1HD1 LEU 45 -37.382 -3.385 -7.206
349 1HD2 LEU 45 1HD2 LEU 45 -33.539 -4.003 -7.066
350 2HD2 LEU 45 3HD2 LEU 45 -33.929 -5.717 -7.207
351 3HD2 LEU 45 2HD2 LEU 45 -34.390 -4.600 -8.490
352 H GLN 46 H GLN 46 -32.568 -5.488 -3.959
353 HA GLN 46 HA GLN 46 -32.717 -4.032 -1.437
354 1HB GLN 46 2HB GLN 46 -32.524 -6.838 -1.473
355 2HB GLN 46 1HB GLN 46 -30.900 -6.275 -1.107
356 1HG GLN 46 2HG GLN 46 -31.837 -6.489 0.982
357 2HG GLN 46 1HG GLN 46 -32.075 -4.776 0.641
358 1HE2 GLN 46 1HE2 GLN 46 -33.806 -7.707 -0.343
359 2HE2 GLN 46 2HE2 GLN 46 -35.354 -7.192 0.229
360 H CYS 47 H CYS 47 -30.680 -3.154 -0.767
361 HA CYS 47 HA CYS 47 -29.035 -2.389 -2.983
362 1HB CYS 47 2HB CYS 47 -29.249 -1.670 -0.106
363 2HB CYS 47 1HB CYS 47 -27.711 -1.346 -0.892
364 H ILE 48 H ILE 48 -27.750 -3.963 -3.793
365 HA ILE 48 HA ILE 48 -26.253 -5.696 -2.004
366 HB ILE 48 HB ILE 48 -26.606 -5.656 -4.990
367 1HG1 ILE 48 2HG1 ILE 48 -27.381 -8.010 -4.489
368 2HG1 ILE 48 1HG1 ILE 48 -27.245 -7.618 -2.778
369 1HG2 ILE 48 2HG2 ILE 48 -24.587 -7.147 -3.353
370 2HG2 ILE 48 1HG2 ILE 48 -25.164 -7.771 -4.899
371 3HG2 ILE 48 3HG2 ILE 48 -24.337 -6.212 -4.827
372 1HD1 ILE 48 2HD1 ILE 48 -28.905 -5.910 -4.569
373 2HD1 ILE 48 1HD1 ILE 48 -29.534 -7.443 -3.961
374 3HD1 ILE 48 3HD1 ILE 48 -29.038 -6.183 -2.831
375 H CYS 49 H CYS 49 -24.269 -5.251 -1.308
376 HA CYS 49 HA CYS 49 -22.711 -3.177 -2.680
377 1HB CYS 49 2HB CYS 49 -22.325 -4.502 0.015
378 2HB CYS 49 1HB CYS 49 -21.256 -3.275 -0.653
379 H ASP 50 H ASP 50 -21.274 -3.813 -4.141
380 HA ASP 50 HA ASP 50 -20.363 -6.571 -4.171
381 1HB ASP 50 2HB ASP 50 -21.119 -4.898 -6.167
382 2HB ASP 50 1HB ASP 50 -19.372 -4.699 -6.240
383 H TYR 51 H TYR 51 -18.378 -7.269 -3.727
384 HA TYR 51 HA TYR 51 -16.407 -5.298 -2.797
385 1HB TYR 51 2HB TYR 51 -17.089 -8.086 -2.024
386 2HB TYR 51 1HB TYR 51 -15.393 -7.628 -1.913
387 HD1 TYR 51 HD1 TYR 51 -14.678 -5.888 -0.346
388 HD2 TYR 51 HD2 TYR 51 -18.731 -7.169 -0.520
389 HE1 TYR 51 HE1 TYR 51 -15.098 -4.828 1.833
390 HE2 TYR 51 HE2 TYR 51 -19.164 -6.111 1.659
391 HH TYR 51 HH TYR 51 -16.642 -4.272 3.344
392 H CYS 52 H CYS 52 -16.963 -7.772 -5.175
393 HA CYS 52 HA CYS 52 -14.405 -7.118 -6.413
394 1HB CYS 52 2HB CYS 52 -14.909 -9.997 -6.579
395 2HB CYS 52 1HB CYS 52 -13.436 -9.140 -6.143
396 H GLU 53 H GLU 53 -15.653 -6.039 -7.978
397 HA GLU 53 HA GLU 53 -16.415 -7.658 -10.183
398 1HB GLU 53 2HB GLU 53 -18.427 -7.547 -8.425
399 2HB GLU 53 1HB GLU 53 -18.754 -6.050 -9.286
400 1HG GLU 53 2HG GLU 53 -20.041 -7.759 -10.301
401 2HG GLU 53 1HG GLU 53 -18.728 -7.363 -11.410
402 H TYR 54 HN TYR 54 -14.550 -5.926 -10.380
403 HA TYR 54 HA TYR 54 -13.773 -4.080 -11.454
404 1HB TYR 54 2HB TYR 54 -16.530 -4.181 -12.690
405 2HB TYR 54 1HB TYR 54 -15.227 -3.142 -13.255
406 HD1 TYR 54 HD1 TYR 54 -12.903 -4.601 -13.503
407 HD2 TYR 54 HD2 TYR 54 -16.873 -6.048 -13.989
408 HE1 TYR 54 HE1 TYR 54 -12.058 -6.421 -14.920
409 HE2 TYR 54 HE2 TYR 54 -16.039 -7.874 -15.411
410 HH TYR 54 HH TYR 54 -14.205 -8.954 -16.134
No H/Q in entry = 410
Start of MODEL 2
1 HN PCA 1 HN PCA 1 -14.505 -18.407 -9.811
2 HA PCA 1 HA PCA 1 -16.763 -17.298 -10.254
3 1HB PCA 1 1HB PCA 1 -18.470 -18.016 -8.956
4 2HB PCA 1 2HB PCA 1 -17.666 -17.382 -7.500
5 1HG PCA 1 1HG PCA 1 -17.812 -20.126 -8.436
6 2HG PCA 1 2HG PCA 1 -17.064 -19.512 -6.950
7 H ASP 2 H ASP 2 -17.427 -15.160 -9.335
8 HA ASP 2 HA ASP 2 -15.181 -13.560 -8.816
9 1HB ASP 2 2HB ASP 2 -16.703 -11.728 -8.644
10 2HB ASP 2 1HB ASP 2 -17.359 -12.822 -9.858
11 H LYS 3 H LYS 3 -17.887 -14.412 -6.647
12 HA LYS 3 HA LYS 3 -18.084 -14.356 -4.380
13 1HB LYS 3 2HB LYS 3 -16.357 -16.202 -4.826
14 2HB LYS 3 1HB LYS 3 -15.154 -15.039 -4.286
15 1HG LYS 3 2HG LYS 3 -15.869 -15.098 -2.109
16 2HG LYS 3 1HG LYS 3 -17.508 -15.582 -2.546
17 1HD LYS 3 2HD LYS 3 -16.402 -17.440 -1.492
18 2HD LYS 3 1HD LYS 3 -16.632 -17.805 -3.203
19 1HE LYS 3 2HE LYS 3 -14.435 -18.176 -3.411
20 2HE LYS 3 1HE LYS 3 -14.100 -16.520 -2.906
21 1HZ LYS 3 2HZ LYS 3 -14.753 -18.093 -0.656
22 2HZ LYS 3 1HZ LYS 3 -13.524 -18.855 -1.532
23 3HZ LYS 3 3HZ LYS 3 -13.318 -17.264 -0.993
24 H CYS 4 H CYS 4 -18.478 -12.240 -3.945
25 HA CYS 4 HA CYS 4 -16.751 -10.835 -2.291
26 1HB CYS 4 2HB CYS 4 -16.140 -10.571 -5.091
27 2HB CYS 4 1HB CYS 4 -16.583 -8.998 -4.432
28 H LYS 5 H LYS 5 -19.648 -11.449 -3.153
29 HA LYS 5 HA LYS 5 -20.754 -8.747 -3.214
30 1HB LYS 5 2HB LYS 5 -21.868 -11.485 -3.721
31 2HB LYS 5 1HB LYS 5 -22.949 -10.142 -3.376
32 1HG LYS 5 2HG LYS 5 -22.107 -8.924 -5.285
33 2HG LYS 5 1HG LYS 5 -20.931 -10.200 -5.609
34 1HD LYS 5 2HD LYS 5 -22.731 -11.778 -6.029
35 2HD LYS 5 1HD LYS 5 -23.927 -10.541 -5.639
36 1HE LYS 5 2HE LYS 5 -22.063 -10.666 -7.992
37 2HE LYS 5 1HE LYS 5 -23.825 -10.608 -7.994
38 1HZ LYS 5 1HZ LYS 5 -23.104 -8.342 -6.679
39 2HZ LYS 5 3HZ LYS 5 -21.933 -8.462 -7.896
40 3HZ LYS 5 2HZ LYS 5 -23.574 -8.433 -8.300
41 H LYS 6 H LYS 6 -21.938 -7.863 -1.607
42 HA LYS 6 HA LYS 6 -22.547 -9.459 0.768
43 1HB LYS 6 2HB LYS 6 -20.330 -7.850 0.666
44 2HB LYS 6 1HB LYS 6 -21.528 -6.762 1.359
45 1HG LYS 6 2HG LYS 6 -20.767 -9.470 2.423
46 2HG LYS 6 1HG LYS 6 -20.270 -7.907 3.081
47 1HD LYS 6 2HD LYS 6 -22.828 -7.449 3.178
48 2HD LYS 6 1HD LYS 6 -22.958 -9.206 3.105
49 1HE LYS 6 2HE LYS 6 -22.960 -8.571 5.409
50 2HE LYS 6 1HE LYS 6 -21.407 -9.327 5.057
51 1HZ LYS 6 3HZ LYS 6 -21.772 -6.391 4.981
52 2HZ LYS 6 2HZ LYS 6 -21.368 -7.206 6.407
53 3HZ LYS 6 1HZ LYS 6 -20.327 -7.267 5.075
54 H VAL 7 H VAL 7 -24.716 -9.328 0.609
55 HA VAL 7 HA VAL 7 -26.156 -7.154 -0.391
56 HB VAL 7 HB VAL 7 -28.028 -8.378 -0.053
57 1HG1 VAL 7 2HG1 VAL 7 -26.136 -9.871 -0.889
58 2HG1 VAL 7 1HG1 VAL 7 -26.166 -10.595 0.719
59 3HG1 VAL 7 3HG1 VAL 7 -27.602 -10.658 -0.304
60 1HG2 VAL 7 2HG2 VAL 7 -26.931 -9.128 2.651
61 2HG2 VAL 7 1HG2 VAL 7 -28.294 -8.068 2.287
62 3HG2 VAL 7 3HG2 VAL 7 -28.419 -9.802 1.987
63 H TYR 8 H TYR 8 -26.864 -5.308 0.431
64 HA TYR 8 HA TYR 8 -25.978 -4.491 3.025
65 1HB TYR 8 2HB TYR 8 -26.260 -2.984 0.991
66 2HB TYR 8 1HB TYR 8 -27.992 -3.079 1.263
67 HD1 TYR 8 HD2 TYR 8 -26.899 -3.088 4.500
68 HD2 TYR 8 HD1 TYR 8 -26.955 -0.481 1.129
69 HE1 TYR 8 HE2 TYR 8 -26.762 -1.158 5.997
70 HE2 TYR 8 HE1 TYR 8 -26.818 1.458 2.632
71 HH TYR 8 HH TYR 8 -27.080 1.123 6.101
72 H GLU 9 H GLU 9 -27.140 -6.455 3.959
73 HA GLU 9 HA GLU 9 -29.003 -7.487 4.879
74 1HB GLU 9 2HB GLU 9 -29.485 -4.812 6.142
75 2HB GLU 9 1HB GLU 9 -29.557 -6.410 6.870
76 1HG GLU 9 2HG GLU 9 -26.967 -6.360 6.208
77 2HG GLU 9 1HG GLU 9 -27.239 -4.632 6.420
78 H ASN 10 H ASN 10 -31.347 -5.914 5.881
79 HA ASN 10 HA ASN 10 -33.111 -6.411 3.821
80 1HB ASN 10 2HB ASN 10 -34.761 -5.237 5.047
81 2HB ASN 10 1HB ASN 10 -33.665 -5.901 6.253
82 1HD2 ASN 10 2HD2 ASN 10 -32.725 -2.839 7.555
83 2HD2 ASN 10 1HD2 ASN 10 -32.555 -4.559 7.565
84 H TYR 11 H TYR 11 -32.147 -3.124 4.803
85 HA TYR 11 HA TYR 11 -31.283 -1.455 3.421
86 1HB TYR 11 2HB TYR 11 -31.082 -3.127 1.509
87 2HB TYR 11 1HB TYR 11 -32.723 -2.657 1.063
88 HD1 TYR 11 HD1 TYR 11 -29.523 -0.936 1.975
89 HD2 TYR 11 HD2 TYR 11 -32.910 -1.090 -0.598
90 HE1 TYR 11 HE1 TYR 11 -28.662 1.006 0.732
91 HE2 TYR 11 HE2 TYR 11 -32.056 0.849 -1.848
92 HH TYR 11 HH TYR 11 -29.301 1.833 -2.069
93 HA PRO 12 HA PRO 12 -34.959 0.946 4.321
94 1HB PRO 12 2HB PRO 12 -33.732 2.826 2.362
95 2HB PRO 12 1HB PRO 12 -34.405 3.151 3.962
96 1HG PRO 12 2HG PRO 12 -31.764 3.039 3.556
97 2HG PRO 12 1HG PRO 12 -32.505 2.449 5.055
98 1HD PRO 12 2HD PRO 12 -31.339 0.921 2.796
99 2HD PRO 12 1HD PRO 12 -31.482 0.483 4.510
100 H VAL 13 H VAL 13 -33.953 1.636 1.075
101 HA VAL 13 HA VAL 13 -34.854 0.702 -0.927
102 HB VAL 13 HB VAL 13 -37.489 0.725 0.536
103 1HG1 VAL 13 2HG1 VAL 13 -36.761 0.416 -2.301
104 2HG1 VAL 13 1HG1 VAL 13 -37.906 -0.773 -1.685
105 3HG1 VAL 13 3HG1 VAL 13 -38.276 0.947 -1.570
106 1HG2 VAL 13 1HG2 VAL 13 -35.453 -1.184 0.706
107 2HG2 VAL 13 3HG2 VAL 13 -37.143 -1.419 1.153
108 3HG2 VAL 13 2HG2 VAL 13 -36.587 -1.862 -0.459
109 H SER 14 H SER 14 -34.579 3.350 0.507
110 HA SER 14 HA SER 14 -36.560 5.132 -0.356
111 1HB SER 14 2HB SER 14 -35.231 6.752 0.553
112 2HB SER 14 1HB SER 14 -34.419 5.352 1.253
113 HG SER 14 HG SER 14 -33.535 7.126 -0.638
114 H LYS 15 H LYS 15 -34.009 3.586 -2.099
115 HA LYS 15 HA LYS 15 -34.940 4.535 -4.580
116 1HB LYS 15 2HB LYS 15 -33.352 6.398 -3.295
117 2HB LYS 15 1HB LYS 15 -32.201 5.591 -4.341
118 1HG LYS 15 2HG LYS 15 -32.858 6.974 -5.967
119 2HG LYS 15 1HG LYS 15 -34.391 6.109 -6.003
120 1HD LYS 15 2HD LYS 15 -35.372 7.664 -4.457
121 2HD LYS 15 1HD LYS 15 -33.813 8.450 -4.192
122 1HE LYS 15 2HE LYS 15 -35.103 8.314 -6.902
123 2HE LYS 15 1HE LYS 15 -35.456 9.610 -5.761
124 1HZ LYS 15 2HZ LYS 15 -32.722 9.469 -5.834
125 2HZ LYS 15 1HZ LYS 15 -33.182 9.252 -7.447
126 3HZ LYS 15 3HZ LYS 15 -33.686 10.629 -6.600
127 H CYS 16 H CYS 16 -34.140 3.345 -6.263
128 HA CYS 16 HA CYS 16 -31.665 2.057 -6.346
129 1HB CYS 16 2HB CYS 16 -33.516 0.739 -4.651
130 2HB CYS 16 1HB CYS 16 -33.358 -0.257 -6.090
131 H GLN 17 H GLN 17 -32.626 3.445 -8.246
132 HA GLN 17 HA GLN 17 -33.991 1.680 -10.161
133 1HB GLN 17 2HB GLN 17 -33.632 4.683 -10.213
134 2HB GLN 17 1HB GLN 17 -34.501 3.736 -11.412
135 1HG GLN 17 2HG GLN 17 -35.238 3.974 -8.504
136 2HG GLN 17 1HG GLN 17 -36.005 4.841 -9.834
137 1HE2 GLN 17 2HE2 GLN 17 -37.339 1.270 -8.797
138 2HE2 GLN 17 1HE2 GLN 17 -36.313 2.277 -7.839
139 H LEU 18 H LEU 18 -31.045 3.304 -9.456
140 HA LEU 18 HA LEU 18 -29.669 2.012 -11.614
141 1HB LEU 18 2HB LEU 18 -30.063 5.002 -11.636
142 2HB LEU 18 1HB LEU 18 -28.711 4.231 -12.439
143 HG LEU 18 HG LEU 18 -30.785 2.823 -13.487
144 1HD1 LEU 18 1HD1 LEU 18 -32.223 4.651 -12.212
145 2HD1 LEU 18 3HD1 LEU 18 -31.878 5.573 -13.673
146 3HD1 LEU 18 2HD1 LEU 18 -32.699 4.016 -13.783
147 1HD2 LEU 18 1HD2 LEU 18 -29.297 5.238 -14.402
148 2HD2 LEU 18 3HD2 LEU 18 -29.208 3.575 -14.982
149 3HD2 LEU 18 2HD2 LEU 18 -30.591 4.585 -15.406
150 H ALA 19 H ALA 19 -27.300 2.733 -11.615
151 HA ALA 19 HA ALA 19 -26.218 2.379 -9.069
152 1HB ALA 19 3HB ALA 19 -25.151 2.124 -11.439
153 2HB ALA 19 2HB ALA 19 -24.648 3.795 -11.174
154 3HB ALA 19 1HB ALA 19 -24.143 2.532 -10.051
155 H ASN 20 H ASN 20 -26.365 3.707 -7.415
156 HA ASN 20 HA ASN 20 -25.272 6.273 -7.373
157 1HB ASN 20 2HB ASN 20 -27.111 7.071 -8.657
158 2HB ASN 20 1HB ASN 20 -28.271 6.170 -7.686
159 1HD2 ASN 20 2HD2 ASN 20 -26.571 9.074 -5.448
160 2HD2 ASN 20 1HD2 ASN 20 -25.655 7.773 -6.123
161 H GLN 21 H GLN 21 -28.323 5.864 -5.737
162 HA GLN 21 HA GLN 21 -27.382 6.239 -3.195
163 1HB GLN 21 2HB GLN 21 -29.811 6.023 -4.011
164 2HB GLN 21 1HB GLN 21 -29.616 4.294 -3.752
165 1HG GLN 21 2HG GLN 21 -30.492 4.863 -1.737
166 2HG GLN 21 1HG GLN 21 -28.784 5.122 -1.379
167 1HE2 GLN 21 2HE2 GLN 21 -29.223 8.433 -0.562
168 2HE2 GLN 21 1HE2 GLN 21 -28.292 6.981 -0.480
169 H CYS 22 H CYS 22 -27.952 3.082 -4.749
170 HA CYS 22 HA CYS 22 -26.930 1.505 -2.668
171 1HB CYS 22 2HB CYS 22 -28.246 0.882 -4.870
172 2HB CYS 22 1HB CYS 22 -26.626 0.634 -5.512
173 H ASN 23 H ASN 23 -25.364 2.492 -5.709
174 HA ASN 23 HA ASN 23 -22.853 1.433 -5.238
175 1HB ASN 23 2HB ASN 23 -24.049 3.150 -7.144
176 2HB ASN 23 1HB ASN 23 -22.599 3.980 -6.591
177 1HD2 ASN 23 2HD2 ASN 23 -20.736 2.184 -8.869
178 2HD2 ASN 23 1HD2 ASN 23 -21.195 3.704 -8.190
179 H TYR 24 H TYR 24 -23.670 4.885 -4.801
180 HA TYR 24 HA TYR 24 -21.418 5.667 -3.450
181 1HB TYR 24 2HB TYR 24 -22.602 7.568 -3.717
182 2HB TYR 24 1HB TYR 24 -24.123 6.694 -3.787
183 HD1 TYR 24 HD1 TYR 24 -21.605 7.271 -1.087
184 HD2 TYR 24 HD2 TYR 24 -25.658 7.603 -2.336
185 HE1 TYR 24 HE1 TYR 24 -22.205 8.156 1.122
186 HE2 TYR 24 HE2 TYR 24 -26.269 8.491 -0.126
187 HH TYR 24 HH TYR 24 -24.742 9.826 1.813
188 H ASP 25 H ASP 25 -24.388 4.314 -2.026
189 HA ASP 25 HA ASP 25 -23.679 4.483 0.649
190 1HB ASP 25 2HB ASP 25 -25.389 2.541 -0.880
191 2HB ASP 25 1HB ASP 25 -25.106 2.313 0.842
192 H CYS 26 H CYS 26 -23.311 1.573 -1.393
193 HA CYS 26 HA CYS 26 -21.767 0.125 0.405
194 1HB CYS 26 2HB CYS 26 -21.713 0.110 -2.622
195 2HB CYS 26 1HB CYS 26 -20.919 -1.094 -1.618
196 H LYS 27 H LYS 27 -20.821 2.483 -2.028
197 HA LYS 27 HA LYS 27 -18.050 2.206 -1.847
198 1HB LYS 27 2HB LYS 27 -19.683 3.641 -3.426
199 2HB LYS 27 1HB LYS 27 -19.151 4.921 -2.348
200 1HG LYS 27 2HG LYS 27 -17.435 5.136 -3.778
201 2HG LYS 27 1HG LYS 27 -16.782 3.712 -2.968
202 1HD LYS 27 2HD LYS 27 -17.852 2.280 -4.658
203 2HD LYS 27 1HD LYS 27 -18.472 3.719 -5.470
204 1HE LYS 27 2HE LYS 27 -15.766 2.557 -5.483
205 2HE LYS 27 1HE LYS 27 -16.586 3.529 -6.704
206 1HZ LYS 27 2HZ LYS 27 -15.377 4.595 -4.209
207 2HZ LYS 27 1HZ LYS 27 -14.663 4.661 -5.741
208 3HZ LYS 27 3HZ LYS 27 -16.096 5.506 -5.439
209 H LEU 28 H LEU 28 -19.937 2.869 0.710
210 HA LEU 28 HA LEU 28 -17.755 4.011 2.173
211 1HB LEU 28 2HB LEU 28 -19.285 5.861 0.901
212 2HB LEU 28 1HB LEU 28 -20.105 5.772 2.447
213 HG LEU 28 HG LEU 28 -17.824 6.170 3.518
214 1HD1 LEU 28 1HD1 LEU 28 -17.179 6.737 0.640
215 2HD1 LEU 28 3HD1 LEU 28 -16.273 7.455 1.971
216 3HD1 LEU 28 2HD1 LEU 28 -16.311 5.704 1.776
217 1HD2 LEU 28 2HD2 LEU 28 -19.580 7.869 3.383
218 2HD2 LEU 28 1HD2 LEU 28 -17.975 8.578 3.200
219 3HD2 LEU 28 3HD2 LEU 28 -19.001 8.339 1.786
220 H ASP 29 H ASP 29 -21.282 3.441 2.265
221 HA ASP 29 HA ASP 29 -21.390 3.155 5.081
222 1HB ASP 29 2HB ASP 29 -23.212 2.360 2.828
223 2HB ASP 29 1HB ASP 29 -23.548 1.815 4.467
224 H LYS 30 H LYS 30 -20.031 1.273 2.691
225 HA LYS 30 HA LYS 30 -19.640 -0.940 4.547
226 1HB LYS 30 2HB LYS 30 -21.392 -1.106 2.319
227 2HB LYS 30 1HB LYS 30 -19.971 -2.054 1.911
228 1HG LYS 30 2HG LYS 30 -21.656 -3.443 2.942
229 2HG LYS 30 1HG LYS 30 -20.236 -3.331 3.983
230 1HD LYS 30 2HD LYS 30 -21.328 -2.092 5.572
231 2HD LYS 30 1HD LYS 30 -22.443 -1.379 4.405
232 1HE LYS 30 2HE LYS 30 -23.920 -3.102 4.561
233 2HE LYS 30 1HE LYS 30 -22.656 -4.305 4.815
234 1HZ LYS 30 2HZ LYS 30 -22.463 -2.968 7.082
235 2HZ LYS 30 1HZ LYS 30 -24.099 -2.684 6.760
236 3HZ LYS 30 3HZ LYS 30 -23.524 -4.271 6.884
237 H HIS 31 H HIS 31 -18.274 1.381 2.920
238 HA HIS 31 HA HIS 31 -16.355 1.706 1.683
239 1HB HIS 31 2HB HIS 31 -14.391 0.519 2.955
240 2HB HIS 31 1HB HIS 31 -15.312 1.794 3.743
241 HD1 HIS 31 HD1 HIS 31 -14.662 -1.877 3.859
242 HD2 HIS 31 HD2 HIS 31 -16.917 0.961 5.887
243 HE1 HIS 31 HE1 HIS 31 -15.454 -3.021 5.951
244 HE2 HIS 31 HE2 HIS 31 -16.701 -1.242 7.226
245 H ALA 32 H ALA 32 -17.857 -0.196 0.384
246 HA ALA 32 HA ALA 32 -16.130 -2.446 -0.249
247 1HB ALA 32 2HB ALA 32 -18.954 -1.743 -0.690
248 2HB ALA 32 1HB ALA 32 -18.206 -2.658 -1.997
249 3HB ALA 32 3HB ALA 32 -18.218 -3.307 -0.358
250 H ARG 33 H ARG 33 -16.654 -2.803 -2.937
251 HA ARG 33 HA ARG 33 -14.986 -0.700 -4.103
252 1HB ARG 33 2HB ARG 33 -14.954 -3.491 -4.289
253 2HB ARG 33 1HB ARG 33 -15.559 -2.961 -5.852
254 1HG ARG 33 2HG ARG 33 -13.056 -1.860 -4.603
255 2HG ARG 33 1HG ARG 33 -13.071 -3.261 -5.677
256 1HD ARG 33 2HD ARG 33 -14.133 -1.867 -7.417
257 2HD ARG 33 1HD ARG 33 -14.011 -0.474 -6.343
258 HE ARG 33 HE ARG 33 -11.864 -0.245 -7.044
259 1HH1 ARG 33 1HH2 ARG 33 -12.761 -3.594 -7.391
260 2HH1 ARG 33 2HH2 ARG 33 -11.245 -4.060 -8.087
261 1HH2 ARG 33 2HH1 ARG 33 -9.868 -0.849 -7.960
262 2HH2 ARG 33 1HH1 ARG 33 -9.600 -2.500 -8.410
263 H SER 34 H SER 34 -18.125 -2.230 -4.424
264 HA SER 34 HA SER 34 -19.283 0.003 -5.692
265 1HB SER 34 2HB SER 34 -19.758 -0.982 -7.914
266 2HB SER 34 1HB SER 34 -18.032 -0.737 -7.655
267 HG SER 34 HG SER 34 -18.510 -2.802 -8.542
268 H GLY 35 H GLY 35 -21.267 -1.534 -7.218
269 1HA GLY 35 2HA GLY 35 -22.506 -3.635 -6.136
270 2HA GLY 35 1HA GLY 35 -22.837 -2.408 -4.929
271 H GLU 36 H GLU 36 -25.002 -3.390 -5.815
272 HA GLU 36 HA GLU 36 -26.406 -1.299 -7.030
273 1HB GLU 36 2HB GLU 36 -27.053 -2.444 -9.161
274 2HB GLU 36 1HB GLU 36 -25.384 -1.896 -9.113
275 1HG GLU 36 2HG GLU 36 -25.708 -4.640 -8.174
276 2HG GLU 36 1HG GLU 36 -26.237 -4.413 -9.838
277 H CYS 37 H CYS 37 -28.681 -2.174 -7.790
278 HA CYS 37 HA CYS 37 -29.593 -3.885 -5.622
279 1HB CYS 37 2HB CYS 37 -30.699 -1.687 -7.122
280 2HB CYS 37 1HB CYS 37 -31.808 -3.052 -7.170
281 H PHE 38 H PHE 38 -30.876 -5.730 -5.900
282 HA PHE 38 HA PHE 38 -31.209 -6.808 -8.584
283 1HB PHE 38 2HB PHE 38 -29.594 -8.193 -6.441
284 2HB PHE 38 1HB PHE 38 -30.239 -9.019 -7.851
285 HD1 PHE 38 HD1 PHE 38 -29.704 -7.621 -10.125
286 HD2 PHE 38 HD2 PHE 38 -27.377 -7.646 -6.562
287 HE1 PHE 38 HE1 PHE 38 -27.718 -6.978 -11.423
288 HE2 PHE 38 HE2 PHE 38 -25.385 -7.001 -7.853
289 HZ PHE 38 HZ PHE 38 -25.554 -6.667 -10.287
290 H TYR 39 H TYR 39 -32.861 -8.330 -8.749
291 HA TYR 39 HA TYR 39 -34.838 -8.186 -6.680
292 1HB TYR 39 2HB TYR 39 -34.705 -9.228 -9.446
293 2HB TYR 39 1HB TYR 39 -35.926 -9.935 -8.392
294 HD1 TYR 39 HD2 TYR 39 -34.711 -6.739 -9.818
295 HD2 TYR 39 HD1 TYR 39 -37.911 -8.764 -7.877
296 HE1 TYR 39 HE2 TYR 39 -36.177 -4.810 -10.238
297 HE2 TYR 39 HE1 TYR 39 -39.387 -6.839 -8.290
298 HH TYR 39 HH TYR 39 -39.397 -4.614 -8.871
299 H ASP 40 H ASP 40 -35.815 -9.895 -5.570
300 HA ASP 40 HA ASP 40 -33.994 -12.129 -5.007
301 1HB ASP 40 2HB ASP 40 -35.015 -12.306 -2.872
302 2HB ASP 40 1HB ASP 40 -34.789 -10.582 -3.151
303 H GLU 41 H GLU 41 -35.405 -14.091 -4.085
304 HA GLU 41 HA GLU 41 -36.635 -15.217 -6.343
305 1HB GLU 41 2HB GLU 41 -37.070 -16.286 -3.577
306 2HB GLU 41 1HB GLU 41 -36.900 -17.173 -5.085
307 1HG GLU 41 2HG GLU 41 -34.496 -16.181 -5.080
308 2HG GLU 41 1HG GLU 41 -34.800 -15.954 -3.358
309 H LYS 42 H LYS 42 -37.891 -13.008 -4.202
310 HA LYS 42 HA LYS 42 -40.626 -14.011 -4.467
311 1HB LYS 42 2HB LYS 42 -39.271 -12.640 -2.422
312 2HB LYS 42 1HB LYS 42 -40.371 -11.450 -3.089
313 1HG LYS 42 2HG LYS 42 -41.948 -13.740 -2.777
314 2HG LYS 42 1HG LYS 42 -40.920 -13.709 -1.348
315 1HD LYS 42 2HD LYS 42 -42.756 -12.456 -0.693
316 2HD LYS 42 1HD LYS 42 -41.612 -11.215 -1.205
317 1HE LYS 42 2HE LYS 42 -42.942 -11.793 -3.544
318 2HE LYS 42 1HE LYS 42 -44.214 -11.951 -2.333
319 1HZ LYS 42 3HZ LYS 42 -43.411 -9.709 -1.498
320 2HZ LYS 42 2HZ LYS 42 -42.559 -9.580 -2.955
321 3HZ LYS 42 1HZ LYS 42 -44.245 -9.722 -2.970
322 H ARG 43 H ARG 43 -39.467 -10.680 -4.496
323 HA ARG 43 HA ARG 43 -39.693 -10.034 -7.161
324 1HB ARG 43 2HB ARG 43 -42.233 -10.698 -6.375
325 2HB ARG 43 1HB ARG 43 -42.232 -8.974 -6.071
326 1HG ARG 43 2HG ARG 43 -43.025 -9.167 -8.241
327 2HG ARG 43 1HG ARG 43 -41.327 -8.733 -8.447
328 1HD ARG 43 2HD ARG 43 -41.415 -10.466 -9.918
329 2HD ARG 43 1HD ARG 43 -41.068 -11.387 -8.456
330 HE ARG 43 HE ARG 43 -43.626 -11.590 -8.352
331 1HH1 ARG 43 1HH2 ARG 43 -41.735 -11.511 -11.278
332 2HH1 ARG 43 2HH2 ARG 43 -42.896 -12.402 -12.203
333 1HH2 ARG 43 2HH1 ARG 43 -45.164 -12.754 -9.568
334 2HH2 ARG 43 1HH1 ARG 43 -44.843 -13.108 -11.233
335 H ASN 44 H ASN 44 -38.312 -9.296 -4.707
336 HA ASN 44 HA ASN 44 -38.796 -6.384 -4.781
337 1HB ASN 44 2HB ASN 44 -38.250 -8.134 -2.386
338 2HB ASN 44 1HB ASN 44 -38.005 -6.390 -2.358
339 1HD2 ASN 44 2HD2 ASN 44 -41.290 -5.791 -1.545
340 2HD2 ASN 44 1HD2 ASN 44 -39.617 -5.368 -1.442
341 H LEU 45 H LEU 45 -37.004 -5.063 -4.747
342 HA LEU 45 HA LEU 45 -34.510 -6.374 -5.461
343 1HB LEU 45 2HB LEU 45 -33.931 -3.759 -5.729
344 2HB LEU 45 1HB LEU 45 -34.684 -4.725 -6.985
345 HG LEU 45 HG LEU 45 -36.408 -3.261 -5.022
346 1HD1 LEU 45 1HD1 LEU 45 -34.737 -2.077 -7.172
347 2HD1 LEU 45 3HD1 LEU 45 -36.396 -1.499 -7.013
348 3HD1 LEU 45 2HD1 LEU 45 -35.288 -1.382 -5.648
349 1HD2 LEU 45 1HD2 LEU 45 -37.112 -5.001 -6.859
350 2HD2 LEU 45 3HD2 LEU 45 -38.071 -3.548 -6.576
351 3HD2 LEU 45 2HD2 LEU 45 -36.946 -3.611 -7.933
352 H GLN 46 H GLN 46 -32.545 -5.998 -4.489
353 HA GLN 46 HA GLN 46 -32.520 -4.597 -1.916
354 1HB GLN 46 2HB GLN 46 -31.883 -7.509 -2.362
355 2HB GLN 46 1HB GLN 46 -31.151 -6.617 -1.037
356 1HG GLN 46 2HG GLN 46 -33.379 -6.101 -0.164
357 2HG GLN 46 1HG GLN 46 -34.100 -7.018 -1.486
358 1HE2 GLN 46 2HE2 GLN 46 -33.421 -8.938 1.801
359 2HE2 GLN 46 1HE2 GLN 46 -33.815 -7.270 1.589
360 H CYS 47 H CYS 47 -30.472 -3.857 -1.307
361 HA CYS 47 HA CYS 47 -28.690 -3.308 -3.450
362 1HB CYS 47 2HB CYS 47 -29.037 -2.493 -0.674
363 2HB CYS 47 1HB CYS 47 -27.340 -2.602 -1.129
364 H ILE 48 H ILE 48 -26.643 -4.003 -3.868
365 HA ILE 48 HA ILE 48 -25.528 -6.183 -2.256
366 HB ILE 48 HB ILE 48 -26.104 -6.262 -5.204
367 1HG1 ILE 48 2HG1 ILE 48 -26.675 -8.670 -4.527
368 2HG1 ILE 48 1HG1 ILE 48 -26.542 -8.116 -2.863
369 1HG2 ILE 48 2HG2 ILE 48 -23.846 -7.583 -3.758
370 2HG2 ILE 48 1HG2 ILE 48 -24.605 -8.375 -5.140
371 3HG2 ILE 48 3HG2 ILE 48 -23.855 -6.790 -5.333
372 1HD1 ILE 48 3HD1 ILE 48 -28.271 -6.472 -4.559
373 2HD1 ILE 48 2HD1 ILE 48 -28.817 -8.130 -4.320
374 3HD1 ILE 48 1HD1 ILE 48 -28.527 -7.092 -2.929
375 H CYS 49 H CYS 49 -23.616 -5.531 -1.590
376 HA CYS 49 HA CYS 49 -22.136 -3.544 -3.120
377 1HB CYS 49 2HB CYS 49 -21.490 -4.742 -0.423
378 2HB CYS 49 1HB CYS 49 -20.745 -3.321 -1.146
379 H ASP 50 H ASP 50 -20.507 -4.015 -4.418
380 HA ASP 50 HA ASP 50 -19.413 -6.725 -4.428
381 1HB ASP 50 2HB ASP 50 -20.201 -5.269 -6.509
382 2HB ASP 50 1HB ASP 50 -18.557 -4.650 -6.401
383 H TYR 51 H TYR 51 -17.485 -7.201 -3.625
384 HA TYR 51 HA TYR 51 -15.786 -4.993 -2.692
385 1HB TYR 51 2HB TYR 51 -16.221 -7.809 -1.771
386 2HB TYR 51 1HB TYR 51 -14.753 -6.944 -1.317
387 HD1 TYR 51 HD2 TYR 51 -18.468 -6.838 -1.106
388 HD2 TYR 51 HD1 TYR 51 -14.780 -5.343 0.412
389 HE1 TYR 51 HE2 TYR 51 -19.674 -5.714 0.700
390 HE2 TYR 51 HE1 TYR 51 -15.984 -4.224 2.241
391 HH TYR 51 HH TYR 51 -19.526 -4.340 2.452
392 H CYS 52 H CYS 52 -15.931 -7.087 -5.251
393 HA CYS 52 HA CYS 52 -12.986 -7.191 -5.501
394 1HB CYS 52 2HB CYS 52 -15.126 -9.073 -6.426
395 2HB CYS 52 1HB CYS 52 -13.594 -9.001 -7.283
396 H GLU 53 H GLU 53 -14.812 -8.033 -8.235
397 HA GLU 53 HA GLU 53 -15.077 -5.447 -9.400
398 1HB GLU 53 2HB GLU 53 -12.503 -6.322 -9.435
399 2HB GLU 53 1HB GLU 53 -13.080 -6.987 -10.955
400 1HG GLU 53 2HG GLU 53 -13.273 -4.094 -10.147
401 2HG GLU 53 1HG GLU 53 -12.034 -4.776 -11.197
402 H TYR 54 HN TYR 54 -14.477 -6.607 -12.109
403 HA TYR 54 HA TYR 54 -15.827 -7.399 -13.784
404 1HB TYR 54 2HB TYR 54 -15.682 -9.702 -11.840
405 2HB TYR 54 1HB TYR 54 -16.381 -9.854 -13.449
406 HD1 TYR 54 HD1 TYR 54 -14.715 -8.682 -15.310
407 HD2 TYR 54 HD2 TYR 54 -13.545 -10.522 -11.656
408 HE1 TYR 54 HE1 TYR 54 -12.478 -9.098 -16.241
409 HE2 TYR 54 HE2 TYR 54 -11.304 -10.942 -12.579
410 HH TYR 54 HH TYR 54 -10.513 -10.110 -15.931
No H/Q in entry = 410
Start of MODEL 3
1 HN PCA 1 HN PCA 1 -11.751 -15.558 -1.529
2 HA PCA 1 HA PCA 1 -11.235 -17.720 -2.715
3 1HB PCA 1 1HB PCA 1 -11.273 -19.504 -1.320
4 2HB PCA 1 2HB PCA 1 -13.050 -19.477 -1.402
5 1HG PCA 1 1HG PCA 1 -11.420 -18.781 0.831
6 2HG PCA 1 2HG PCA 1 -13.167 -18.523 0.673
7 H ASP 2 H ASP 2 -12.465 -16.064 -3.990
8 HA ASP 2 HA ASP 2 -14.030 -15.836 -5.645
9 1HB ASP 2 2HB ASP 2 -15.373 -17.582 -6.204
10 2HB ASP 2 1HB ASP 2 -14.412 -18.444 -5.012
11 H LYS 3 H LYS 3 -16.856 -15.935 -5.366
12 HA LYS 3 HA LYS 3 -18.557 -14.568 -4.734
13 1HB LYS 3 2HB LYS 3 -17.314 -15.541 -2.268
14 2HB LYS 3 1HB LYS 3 -18.200 -14.041 -2.037
15 1HG LYS 3 2HG LYS 3 -19.454 -16.336 -3.486
16 2HG LYS 3 1HG LYS 3 -19.424 -16.287 -1.722
17 1HD LYS 3 2HD LYS 3 -20.874 -14.523 -1.609
18 2HD LYS 3 1HD LYS 3 -20.349 -13.853 -3.155
19 1HE LYS 3 2HE LYS 3 -21.854 -16.442 -3.031
20 2HE LYS 3 1HE LYS 3 -22.706 -14.900 -2.982
21 1HZ LYS 3 2HZ LYS 3 -20.897 -14.730 -5.068
22 2HZ LYS 3 1HZ LYS 3 -21.616 -16.254 -5.209
23 3HZ LYS 3 3HZ LYS 3 -22.579 -14.863 -5.178
24 H CYS 4 H CYS 4 -19.155 -12.420 -4.278
25 HA CYS 4 HA CYS 4 -17.201 -10.463 -3.501
26 1HB CYS 4 2HB CYS 4 -17.365 -11.154 -6.240
27 2HB CYS 4 1HB CYS 4 -18.121 -9.575 -6.089
28 H LYS 5 H LYS 5 -20.391 -11.351 -4.516
29 HA LYS 5 HA LYS 5 -21.500 -8.717 -3.992
30 1HB LYS 5 2HB LYS 5 -23.004 -11.254 -4.620
31 2HB LYS 5 1HB LYS 5 -23.560 -9.603 -4.824
32 1HG LYS 5 2HG LYS 5 -21.121 -10.275 -6.331
33 2HG LYS 5 1HG LYS 5 -22.558 -11.170 -6.819
34 1HD LYS 5 2HD LYS 5 -22.880 -8.241 -6.458
35 2HD LYS 5 1HD LYS 5 -21.903 -8.766 -7.827
36 1HE LYS 5 2HE LYS 5 -24.304 -8.458 -8.377
37 2HE LYS 5 1HE LYS 5 -23.704 -10.085 -8.694
38 1HZ LYS 5 3HZ LYS 5 -24.644 -10.147 -6.113
39 2HZ LYS 5 2HZ LYS 5 -25.799 -9.248 -6.963
40 3HZ LYS 5 1HZ LYS 5 -25.394 -10.808 -7.478
41 H LYS 6 H LYS 6 -22.651 -8.131 -2.224
42 HA LYS 6 HA LYS 6 -23.559 -10.140 -0.330
43 1HB LYS 6 2HB LYS 6 -21.723 -7.939 0.605
44 2HB LYS 6 1HB LYS 6 -22.377 -9.259 1.560
45 1HG LYS 6 2HG LYS 6 -21.086 -10.844 0.154
46 2HG LYS 6 1HG LYS 6 -20.347 -9.456 -0.652
47 1HD LYS 6 2HD LYS 6 -19.504 -8.678 1.537
48 2HD LYS 6 1HD LYS 6 -20.177 -10.128 2.285
49 1HE LYS 6 2HE LYS 6 -17.936 -9.917 0.295
50 2HE LYS 6 1HE LYS 6 -17.894 -10.595 1.923
51 1HZ LYS 6 2HZ LYS 6 -19.361 -12.376 1.154
52 2HZ LYS 6 1HZ LYS 6 -19.329 -11.737 -0.412
53 3HZ LYS 6 3HZ LYS 6 -17.911 -12.344 0.283
54 H VAL 7 H VAL 7 -25.522 -9.597 0.334
55 HA VAL 7 HA VAL 7 -26.781 -7.198 -0.364
56 HB VAL 7 HB VAL 7 -28.695 -8.071 0.502
57 1HG1 VAL 7 3HG1 VAL 7 -27.394 -9.816 -0.827
58 2HG1 VAL 7 2HG1 VAL 7 -27.108 -10.603 0.727
59 3HG1 VAL 7 1HG1 VAL 7 -28.756 -10.376 0.142
60 1HG2 VAL 7 3HG2 VAL 7 -27.031 -9.002 2.819
61 2HG2 VAL 7 2HG2 VAL 7 -28.394 -7.883 2.810
62 3HG2 VAL 7 1HG2 VAL 7 -28.668 -9.608 2.565
63 H TYR 8 H TYR 8 -27.382 -5.381 0.793
64 HA TYR 8 HA TYR 8 -25.639 -4.764 3.042
65 1HB TYR 8 2HB TYR 8 -25.718 -3.128 1.270
66 2HB TYR 8 1HB TYR 8 -27.469 -3.047 1.361
67 HD1 TYR 8 HD2 TYR 8 -25.836 -3.193 4.592
68 HD2 TYR 8 HD1 TYR 8 -27.050 -0.571 1.464
69 HE1 TYR 8 HE2 TYR 8 -25.672 -1.291 6.128
70 HE2 TYR 8 HE1 TYR 8 -26.884 1.339 2.999
71 HH TYR 8 HH TYR 8 -27.036 1.621 5.608
72 H GLU 9 H GLU 9 -26.864 -6.268 4.412
73 HA GLU 9 HA GLU 9 -28.749 -6.890 5.669
74 1HB GLU 9 2HB GLU 9 -27.910 -4.270 6.901
75 2HB GLU 9 1HB GLU 9 -28.596 -5.663 7.725
76 1HG GLU 9 2HG GLU 9 -26.640 -6.907 7.510
77 2HG GLU 9 1HG GLU 9 -26.007 -5.863 6.238
78 H ASN 10 H ASN 10 -30.788 -6.886 5.089
79 HA ASN 10 HA ASN 10 -32.684 -5.947 3.997
80 1HB ASN 10 2HB ASN 10 -32.804 -6.552 6.580
81 2HB ASN 10 1HB ASN 10 -33.144 -4.831 6.723
82 1HD2 ASN 10 2HD2 ASN 10 -36.432 -5.126 5.744
83 2HD2 ASN 10 1HD2 ASN 10 -35.160 -4.184 6.436
84 H TYR 11 H TYR 11 -31.035 -4.229 3.002
85 HA TYR 11 HA TYR 11 -30.954 -1.593 3.828
86 1HB TYR 11 2HB TYR 11 -29.634 -2.444 1.973
87 2HB TYR 11 1HB TYR 11 -31.097 -2.695 1.026
88 HD1 TYR 11 HD2 TYR 11 -29.161 0.000 2.725
89 HD2 TYR 11 HD1 TYR 11 -31.830 -1.034 -0.421
90 HE1 TYR 11 HE2 TYR 11 -28.950 2.273 1.810
91 HE2 TYR 11 HE1 TYR 11 -31.629 1.236 -1.346
92 HH TYR 11 HH TYR 11 -29.239 3.339 -0.552
93 HA PRO 12 HA PRO 12 -35.438 -0.688 3.744
94 1HB PRO 12 2HB PRO 12 -34.238 2.053 3.801
95 2HB PRO 12 1HB PRO 12 -35.595 1.400 4.729
96 1HG PRO 12 2HG PRO 12 -33.202 1.694 5.855
97 2HG PRO 12 1HG PRO 12 -34.212 0.283 6.217
98 1HD PRO 12 2HD PRO 12 -31.767 0.479 4.533
99 2HD PRO 12 1HD PRO 12 -32.366 -0.881 5.502
100 H VAL 13 H VAL 13 -36.395 -0.890 1.828
101 HA VAL 13 HA VAL 13 -35.328 -0.140 -0.645
102 HB VAL 13 HB VAL 13 -38.289 -0.370 -0.235
103 1HG1 VAL 13 1HG1 VAL 13 -36.400 -1.290 -2.400
104 2HG1 VAL 13 3HG1 VAL 13 -38.145 -1.548 -2.394
105 3HG1 VAL 13 2HG1 VAL 13 -37.496 0.090 -2.478
106 1HG2 VAL 13 1HG2 VAL 13 -36.266 -2.596 -0.068
107 2HG2 VAL 13 3HG2 VAL 13 -37.488 -2.150 1.123
108 3HG2 VAL 13 2HG2 VAL 13 -37.975 -2.859 -0.417
109 H SER 14 H SER 14 -35.114 2.141 0.965
110 HA SER 14 HA SER 14 -37.155 4.040 0.543
111 1HB SER 14 2HB SER 14 -35.643 5.651 1.379
112 2HB SER 14 1HB SER 14 -35.176 4.153 2.183
113 HG SER 14 HG SER 14 -33.776 4.145 0.026
114 H LYS 15 H LYS 15 -34.451 2.999 -1.417
115 HA LYS 15 HA LYS 15 -35.566 4.029 -3.792
116 1HB LYS 15 2HB LYS 15 -33.967 5.877 -2.284
117 2HB LYS 15 1HB LYS 15 -33.120 5.498 -3.775
118 1HG LYS 15 2HG LYS 15 -35.397 5.991 -4.907
119 2HG LYS 15 1HG LYS 15 -35.779 6.804 -3.388
120 1HD LYS 15 2HD LYS 15 -34.861 8.571 -4.494
121 2HD LYS 15 1HD LYS 15 -33.377 7.883 -3.830
122 1HE LYS 15 2HE LYS 15 -32.808 8.184 -6.045
123 2HE LYS 15 1HE LYS 15 -33.350 6.507 -6.040
124 1HZ LYS 15 3HZ LYS 15 -35.353 8.561 -6.578
125 2HZ LYS 15 2HZ LYS 15 -34.219 8.256 -7.795
126 3HZ LYS 15 1HZ LYS 15 -35.201 7.003 -7.222
127 H CYS 16 H CYS 16 -34.595 3.127 -5.586
128 HA CYS 16 HA CYS 16 -31.949 2.129 -5.626
129 1HB CYS 16 2HB CYS 16 -34.057 0.377 -4.568
130 2HB CYS 16 1HB CYS 16 -33.070 -0.365 -5.820
131 H GLN 17 H GLN 17 -34.729 3.000 -7.166
132 HA GLN 17 HA GLN 17 -34.396 1.335 -9.508
133 1HB GLN 17 2HB GLN 17 -36.338 3.465 -8.690
134 2HB GLN 17 1HB GLN 17 -36.248 2.947 -10.369
135 1HG GLN 17 2HG GLN 17 -37.171 0.922 -9.942
136 2HG GLN 17 1HG GLN 17 -36.453 0.816 -8.336
137 1HE2 GLN 17 2HE2 GLN 17 -39.767 1.203 -7.258
138 2HE2 GLN 17 1HE2 GLN 17 -38.483 0.088 -7.563
139 H LEU 18 H LEU 18 -32.077 2.701 -9.099
140 HA LEU 18 HA LEU 18 -31.739 4.061 -11.560
141 1HB LEU 18 2HB LEU 18 -32.284 5.660 -9.179
142 2HB LEU 18 1HB LEU 18 -30.775 6.111 -9.945
143 HG LEU 18 HG LEU 18 -33.304 5.886 -11.523
144 1HD1 LEU 18 3HD1 LEU 18 -32.297 8.241 -9.946
145 2HD1 LEU 18 2HD1 LEU 18 -33.481 8.365 -11.246
146 3HD1 LEU 18 1HD1 LEU 18 -33.858 7.433 -9.797
147 1HD2 LEU 18 2HD2 LEU 18 -30.845 6.072 -12.444
148 2HD2 LEU 18 1HD2 LEU 18 -32.171 6.964 -13.191
149 3HD2 LEU 18 3HD2 LEU 18 -31.081 7.780 -12.072
150 H ALA 19 H ALA 19 -29.857 5.114 -8.830
151 HA ALA 19 HA ALA 19 -27.929 3.165 -8.547
152 1HB ALA 19 2HB ALA 19 -27.721 4.585 -11.104
153 2HB ALA 19 1HB ALA 19 -26.225 4.581 -10.173
154 3HB ALA 19 3HB ALA 19 -27.002 3.057 -10.601
155 H ASN 20 H ASN 20 -25.579 4.598 -8.453
156 HA ASN 20 HA ASN 20 -24.431 6.004 -7.113
157 1HB ASN 20 2HB ASN 20 -26.176 7.587 -8.520
158 2HB ASN 20 1HB ASN 20 -26.543 8.047 -6.861
159 1HD2 ASN 20 2HD2 ASN 20 -23.722 9.991 -6.475
160 2HD2 ASN 20 1HD2 ASN 20 -25.242 9.436 -5.868
161 H GLN 21 H GLN 21 -27.729 6.783 -5.997
162 HA GLN 21 HA GLN 21 -27.364 7.018 -3.353
163 1HB GLN 21 2HB GLN 21 -29.568 6.845 -4.791
164 2HB GLN 21 1HB GLN 21 -29.586 5.194 -4.189
165 1HG GLN 21 2HG GLN 21 -29.958 7.753 -2.726
166 2HG GLN 21 1HG GLN 21 -30.866 6.246 -2.616
167 1HE2 GLN 21 2HE2 GLN 21 -27.846 7.021 -0.096
168 2HE2 GLN 21 1HE2 GLN 21 -28.415 8.148 -1.276
169 H CYS 22 H CYS 22 -28.421 3.852 -4.558
170 HA CYS 22 HA CYS 22 -27.485 2.416 -2.324
171 1HB CYS 22 2HB CYS 22 -29.246 1.608 -3.864
172 2HB CYS 22 1HB CYS 22 -28.037 1.413 -5.127
173 H ASN 23 H ASN 23 -26.129 2.933 -5.550
174 HA ASN 23 HA ASN 23 -23.865 1.323 -5.360
175 1HB ASN 23 2HB ASN 23 -24.939 2.870 -7.299
176 2HB ASN 23 1HB ASN 23 -23.584 3.893 -6.825
177 1HD2 ASN 23 2HD2 ASN 23 -21.409 0.874 -7.519
178 2HD2 ASN 23 1HD2 ASN 23 -21.954 1.585 -6.041
179 H TYR 24 H TYR 24 -23.617 4.880 -5.281
180 HA TYR 24 HA TYR 24 -21.158 5.124 -4.154
181 1HB TYR 24 2HB TYR 24 -21.793 7.268 -4.455
182 2HB TYR 24 1HB TYR 24 -23.494 6.836 -4.392
183 HD1 TYR 24 HD2 TYR 24 -20.601 7.244 -2.074
184 HD2 TYR 24 HD1 TYR 24 -24.768 7.793 -2.721
185 HE1 TYR 24 HE2 TYR 24 -20.784 8.353 0.105
186 HE2 TYR 24 HE1 TYR 24 -24.964 8.907 -0.541
187 HH TYR 24 HH TYR 24 -22.337 8.968 1.740
188 H ASP 25 H ASP 25 -24.200 4.527 -2.453
189 HA ASP 25 HA ASP 25 -23.311 4.747 0.162
190 1HB ASP 25 2HB ASP 25 -25.472 3.213 -1.187
191 2HB ASP 25 1HB ASP 25 -25.052 2.721 0.448
192 H CYS 26 H CYS 26 -23.522 1.709 -1.712
193 HA CYS 26 HA CYS 26 -22.139 0.134 0.090
194 1HB CYS 26 2HB CYS 26 -22.074 0.005 -2.935
195 2HB CYS 26 1HB CYS 26 -21.504 -1.273 -1.872
196 H LYS 27 H LYS 27 -20.909 2.092 -2.573
197 HA LYS 27 HA LYS 27 -18.198 1.503 -2.268
198 1HB LYS 27 2HB LYS 27 -19.666 2.909 -4.061
199 2HB LYS 27 1HB LYS 27 -18.857 4.221 -3.216
200 1HG LYS 27 2HG LYS 27 -16.713 3.373 -3.781
201 2HG LYS 27 1HG LYS 27 -17.398 1.861 -4.378
202 1HD LYS 27 2HD LYS 27 -18.554 3.120 -6.156
203 2HD LYS 27 1HD LYS 27 -17.788 4.601 -5.579
204 1HE LYS 27 2HE LYS 27 -15.591 3.671 -6.054
205 2HE LYS 27 1HE LYS 27 -16.328 2.157 -6.575
206 1HZ LYS 27 2HZ LYS 27 -16.873 4.770 -7.868
207 2HZ LYS 27 1HZ LYS 27 -15.687 3.691 -8.408
208 3HZ LYS 27 3HZ LYS 27 -17.317 3.236 -8.426
209 H LEU 28 H LEU 28 -19.859 2.612 0.228
210 HA LEU 28 HA LEU 28 -17.553 3.801 1.427
211 1HB LEU 28 2HB LEU 28 -18.744 5.614 -0.037
212 2HB LEU 28 1HB LEU 28 -19.853 5.702 1.318
213 HG LEU 28 HG LEU 28 -16.922 5.944 1.860
214 1HD1 LEU 28 1HD1 LEU 28 -17.349 7.444 -0.048
215 2HD1 LEU 28 3HD1 LEU 28 -18.634 8.221 0.878
216 3HD1 LEU 28 2HD1 LEU 28 -16.962 8.319 1.432
217 1HD2 LEU 28 2HD2 LEU 28 -18.945 5.898 3.538
218 2HD2 LEU 28 1HD2 LEU 28 -17.581 6.984 3.792
219 3HD2 LEU 28 3HD2 LEU 28 -19.076 7.596 3.083
220 H ASP 29 H ASP 29 -21.057 3.255 1.692
221 HA ASP 29 HA ASP 29 -21.162 3.647 4.493
222 1HB ASP 29 2HB ASP 29 -23.019 3.013 2.437
223 2HB ASP 29 1HB ASP 29 -23.186 1.765 3.663
224 H LYS 30 H LYS 30 -19.828 1.170 2.630
225 HA LYS 30 HA LYS 30 -19.389 -0.425 5.035
226 1HB LYS 30 2HB LYS 30 -20.522 -1.513 2.456
227 2HB LYS 30 1HB LYS 30 -19.810 -2.528 3.702
228 1HG LYS 30 2HG LYS 30 -22.059 -0.656 4.341
229 2HG LYS 30 1HG LYS 30 -22.364 -2.243 3.634
230 1HD LYS 30 2HD LYS 30 -20.569 -2.114 5.999
231 2HD LYS 30 1HD LYS 30 -22.292 -1.847 6.267
232 1HE LYS 30 2HE LYS 30 -22.804 -3.976 5.211
233 2HE LYS 30 1HE LYS 30 -21.093 -4.237 4.870
234 1HZ LYS 30 1HZ LYS 30 -22.191 -3.915 7.607
235 2HZ LYS 30 3HZ LYS 30 -21.943 -5.417 6.867
236 3HZ LYS 30 2HZ LYS 30 -20.628 -4.399 7.180
237 H HIS 31 H HIS 31 -18.107 1.215 2.578
238 HA HIS 31 HA HIS 31 -16.043 1.329 1.633
239 1HB HIS 31 2HB HIS 31 -15.142 -0.889 3.463
240 2HB HIS 31 1HB HIS 31 -14.195 0.444 2.807
241 HD1 HIS 31 HD1 HIS 31 -14.709 -0.380 5.914
242 HD2 HIS 31 HD2 HIS 31 -16.303 2.838 3.825
243 HE1 HIS 31 HE1 HIS 31 -15.336 1.316 7.664
244 HE2 HIS 31 HE2 HIS 31 -16.208 3.293 6.368
245 H ALA 32 H ALA 32 -17.917 -0.199 0.324
246 HA ALA 32 HA ALA 32 -16.656 -2.685 -0.489
247 1HB ALA 32 1HB ALA 32 -19.258 -2.015 -0.229
248 2HB ALA 32 3HB ALA 32 -19.040 -1.728 -1.955
249 3HB ALA 32 2HB ALA 32 -18.689 -3.315 -1.272
250 H ARG 33 H ARG 33 -16.981 -3.010 -3.053
251 HA ARG 33 HA ARG 33 -15.212 -1.030 -4.253
252 1HB ARG 33 2HB ARG 33 -14.707 -3.472 -4.417
253 2HB ARG 33 1HB ARG 33 -16.176 -3.672 -5.360
254 1HG ARG 33 2HG ARG 33 -14.616 -3.529 -7.023
255 2HG ARG 33 1HG ARG 33 -15.120 -1.845 -6.888
256 1HD ARG 33 2HD ARG 33 -12.963 -1.314 -6.602
257 2HD ARG 33 1HD ARG 33 -13.021 -2.134 -5.047
258 HE ARG 33 HE ARG 33 -12.232 -4.137 -6.173
259 1HH1 ARG 33 1HH2 ARG 33 -11.898 -1.123 -7.914
260 2HH1 ARG 33 2HH2 ARG 33 -10.645 -1.720 -8.945
261 1HH2 ARG 33 2HH1 ARG 33 -10.588 -4.911 -7.536
262 2HH2 ARG 33 1HH1 ARG 33 -9.901 -3.864 -8.731
263 H SER 34 H SER 34 -18.421 -2.388 -4.581
264 HA SER 34 HA SER 34 -19.450 -0.105 -5.897
265 1HB SER 34 2HB SER 34 -20.009 -1.147 -8.079
266 2HB SER 34 1HB SER 34 -18.266 -0.993 -7.850
267 HG SER 34 HG SER 34 -19.788 -3.345 -7.377
268 H GLY 35 H GLY 35 -21.592 -1.417 -7.290
269 1HA GLY 35 2HA GLY 35 -22.918 -3.477 -6.251
270 2HA GLY 35 1HA GLY 35 -23.083 -2.310 -4.951
271 H GLU 36 H GLU 36 -25.326 -3.175 -5.849
272 HA GLU 36 HA GLU 36 -26.726 -0.929 -6.705
273 1HB GLU 36 2HB GLU 36 -27.522 -1.872 -8.945
274 2HB GLU 36 1HB GLU 36 -25.924 -1.143 -8.908
275 1HG GLU 36 2HG GLU 36 -25.237 -3.679 -8.421
276 2HG GLU 36 1HG GLU 36 -26.720 -3.957 -9.329
277 H CYS 37 H CYS 37 -29.059 -1.488 -7.178
278 HA CYS 37 HA CYS 37 -29.812 -3.617 -5.364
279 1HB CYS 37 2HB CYS 37 -30.973 -1.122 -6.272
280 2HB CYS 37 1HB CYS 37 -32.155 -2.427 -6.300
281 H PHE 38 H PHE 38 -31.164 -5.334 -5.828
282 HA PHE 38 HA PHE 38 -31.885 -5.800 -8.623
283 1HB PHE 38 2HB PHE 38 -30.051 -7.562 -7.013
284 2HB PHE 38 1HB PHE 38 -30.981 -8.190 -8.363
285 HD1 PHE 38 HD1 PHE 38 -30.786 -6.456 -10.509
286 HD2 PHE 38 HD2 PHE 38 -27.857 -7.162 -7.500
287 HE1 PHE 38 HE1 PHE 38 -29.018 -5.740 -12.062
288 HE2 PHE 38 HE2 PHE 38 -26.088 -6.448 -9.046
289 HZ PHE 38 HZ PHE 38 -26.665 -5.732 -11.330
290 H TYR 39 H TYR 39 -33.326 -7.606 -8.917
291 HA TYR 39 HA TYR 39 -35.165 -7.874 -6.669
292 1HB TYR 39 2HB TYR 39 -35.368 -8.074 -9.625
293 2HB TYR 39 1HB TYR 39 -36.450 -9.104 -8.696
294 HD1 TYR 39 HD1 TYR 39 -38.075 -8.073 -7.120
295 HD2 TYR 39 HD2 TYR 39 -35.754 -5.735 -9.812
296 HE1 TYR 39 HE1 TYR 39 -39.648 -6.203 -6.842
297 HE2 TYR 39 HE2 TYR 39 -37.322 -3.854 -9.541
298 HH TYR 39 HH TYR 39 -40.311 -4.106 -8.400
299 H ASP 40 H ASP 40 -33.973 -9.416 -5.419
300 HA ASP 40 HA ASP 40 -32.797 -11.732 -6.204
301 1HB ASP 40 2HB ASP 40 -34.373 -12.372 -3.879
302 2HB ASP 40 1HB ASP 40 -32.648 -12.042 -3.981
303 H GLU 41 H GLU 41 -33.632 -14.020 -5.951
304 HA GLU 41 HA GLU 41 -35.605 -14.473 -7.892
305 1HB GLU 41 2HB GLU 41 -33.684 -16.008 -7.075
306 2HB GLU 41 1HB GLU 41 -34.835 -16.542 -5.856
307 1HG GLU 41 2HG GLU 41 -36.401 -16.923 -7.902
308 2HG GLU 41 1HG GLU 41 -34.892 -16.926 -8.812
309 H LYS 42 H LYS 42 -36.124 -13.344 -4.859
310 HA LYS 42 HA LYS 42 -38.689 -14.775 -4.559
311 1HB LYS 42 2HB LYS 42 -37.186 -13.191 -2.479
312 2HB LYS 42 1HB LYS 42 -38.641 -14.143 -2.221
313 1HG LYS 42 2HG LYS 42 -37.414 -16.176 -2.816
314 2HG LYS 42 1HG LYS 42 -35.949 -15.217 -3.040
315 1HD LYS 42 2HD LYS 42 -37.499 -15.583 -0.481
316 2HD LYS 42 1HD LYS 42 -35.912 -16.255 -0.860
317 1HE LYS 42 2HE LYS 42 -35.250 -14.431 0.334
318 2HE LYS 42 1HE LYS 42 -35.349 -13.688 -1.261
319 1HZ LYS 42 3HZ LYS 42 -37.881 -13.520 -0.162
320 2HZ LYS 42 2HZ LYS 42 -36.818 -13.079 1.077
321 3HZ LYS 42 1HZ LYS 42 -36.782 -12.256 -0.400
322 H ARG 43 H ARG 43 -37.906 -12.272 -6.196
323 HA ARG 43 HA ARG 43 -38.907 -10.330 -6.824
324 1HB ARG 43 2HB ARG 43 -41.060 -11.926 -5.593
325 2HB ARG 43 1HB ARG 43 -41.396 -10.205 -5.688
326 1HG ARG 43 2HG ARG 43 -42.282 -11.300 -7.624
327 2HG ARG 43 1HG ARG 43 -40.929 -10.276 -8.106
328 1HD ARG 43 2HD ARG 43 -39.492 -12.133 -8.370
329 2HD ARG 43 1HD ARG 43 -40.614 -13.211 -7.538
330 HE ARG 43 HE ARG 43 -42.116 -12.621 -9.574
331 1HH1 ARG 43 1HH2 ARG 43 -38.666 -13.097 -9.602
332 2HH1 ARG 43 2HH2 ARG 43 -38.626 -13.658 -11.240
333 1HH2 ARG 43 2HH1 ARG 43 -42.074 -13.358 -11.733
334 2HH2 ARG 43 1HH1 ARG 43 -40.564 -13.806 -12.452
335 H ASN 44 H ASN 44 -37.138 -9.677 -5.133
336 HA ASN 44 HA ASN 44 -38.378 -7.664 -3.432
337 1HB ASN 44 2HB ASN 44 -36.598 -9.870 -2.428
338 2HB ASN 44 1HB ASN 44 -36.687 -8.323 -1.591
339 1HD2 ASN 44 2HD2 ASN 44 -39.117 -10.785 -0.178
340 2HD2 ASN 44 1HD2 ASN 44 -37.426 -10.841 -0.530
341 H LEU 45 H LEU 45 -37.319 -5.775 -3.568
342 HA LEU 45 HA LEU 45 -34.877 -5.673 -5.124
343 1HB LEU 45 2HB LEU 45 -36.948 -3.749 -4.250
344 2HB LEU 45 1HB LEU 45 -35.336 -3.088 -4.448
345 HG LEU 45 HG LEU 45 -36.598 -4.705 -6.631
346 1HD1 LEU 45 2HD1 LEU 45 -37.009 -1.779 -6.045
347 2HD1 LEU 45 1HD1 LEU 45 -37.340 -2.528 -7.607
348 3HD1 LEU 45 3HD1 LEU 45 -38.244 -3.030 -6.179
349 1HD2 LEU 45 1HD2 LEU 45 -34.129 -4.021 -6.542
350 2HD2 LEU 45 3HD2 LEU 45 -35.028 -3.676 -8.019
351 3HD2 LEU 45 2HD2 LEU 45 -34.711 -2.387 -6.858
352 H GLN 46 H GLN 46 -33.130 -6.297 -3.972
353 HA GLN 46 HA GLN 46 -32.649 -4.936 -1.389
354 1HB GLN 46 2HB GLN 46 -31.494 -7.560 -2.346
355 2HB GLN 46 1HB GLN 46 -31.196 -6.802 -0.787
356 1HG GLN 46 2HG GLN 46 -33.595 -7.006 -0.261
357 2HG GLN 46 1HG GLN 46 -33.834 -7.848 -1.792
358 1HE2 GLN 46 2HE2 GLN 46 -31.259 -9.937 0.521
359 2HE2 GLN 46 1HE2 GLN 46 -30.901 -8.350 -0.051
360 H CYS 47 H CYS 47 -30.670 -4.026 -0.953
361 HA CYS 47 HA CYS 47 -29.182 -3.138 -3.262
362 1HB CYS 47 2HB CYS 47 -29.458 -2.308 -0.460
363 2HB CYS 47 1HB CYS 47 -27.836 -2.111 -1.105
364 H ILE 48 H ILE 48 -27.878 -4.660 -4.094
365 HA ILE 48 HA ILE 48 -26.261 -6.324 -2.347
366 HB ILE 48 HB ILE 48 -26.836 -6.313 -5.285
367 1HG1 ILE 48 2HG1 ILE 48 -26.842 -8.928 -4.140
368 2HG1 ILE 48 1HG1 ILE 48 -27.667 -7.875 -3.002
369 1HG2 ILE 48 1HG2 ILE 48 -24.517 -7.697 -3.963
370 2HG2 ILE 48 3HG2 ILE 48 -25.177 -8.180 -5.526
371 3HG2 ILE 48 2HG2 ILE 48 -24.484 -6.574 -5.325
372 1HD1 ILE 48 1HD1 ILE 48 -28.979 -7.070 -5.077
373 2HD1 ILE 48 3HD1 ILE 48 -28.401 -8.572 -5.801
374 3HD1 ILE 48 2HD1 ILE 48 -29.376 -8.619 -4.332
375 H CYS 49 H CYS 49 -24.468 -5.532 -1.557
376 HA CYS 49 HA CYS 49 -22.954 -3.514 -3.032
377 1HB CYS 49 2HB CYS 49 -22.693 -4.564 -0.210
378 2HB CYS 49 1HB CYS 49 -21.652 -3.329 -0.907
379 H ASP 50 H ASP 50 -21.196 -4.016 -4.176
380 HA ASP 50 HA ASP 50 -20.107 -6.725 -3.966
381 1HB ASP 50 2HB ASP 50 -20.740 -5.918 -6.201
382 2HB ASP 50 1HB ASP 50 -19.617 -4.571 -6.037
383 H TYR 51 H TYR 51 -18.052 -7.201 -3.471
384 HA TYR 51 HA TYR 51 -16.286 -4.997 -2.614
385 1HB TYR 51 2HB TYR 51 -16.803 -7.627 -1.229
386 2HB TYR 51 1HB TYR 51 -15.591 -6.450 -0.725
387 HD1 TYR 51 HD1 TYR 51 -19.223 -6.971 -1.195
388 HD2 TYR 51 HD2 TYR 51 -16.196 -4.652 0.689
389 HE1 TYR 51 HE1 TYR 51 -20.928 -5.871 0.176
390 HE2 TYR 51 HE2 TYR 51 -17.901 -3.539 2.072
391 HH TYR 51 HH TYR 51 -21.304 -4.510 1.922
392 H CYS 52 H CYS 52 -15.590 -5.568 -4.953
393 HA CYS 52 HA CYS 52 -13.814 -7.903 -5.010
394 1HB CYS 52 2HB CYS 52 -14.730 -6.054 -7.208
395 2HB CYS 52 1HB CYS 52 -13.640 -7.414 -7.441
396 H GLU 53 H GLU 53 -13.150 -5.626 -3.417
397 HA GLU 53 HA GLU 53 -11.536 -3.692 -4.286
398 1HB GLU 53 2HB GLU 53 -10.035 -4.140 -2.309
399 2HB GLU 53 1HB GLU 53 -11.750 -4.012 -1.941
400 1HG GLU 53 2HG GLU 53 -10.178 -6.567 -2.208
401 2HG GLU 53 1HG GLU 53 -10.719 -5.825 -0.703
402 H TYR 54 HN TYR 54 -10.499 -7.082 -3.994
403 HA TYR 54 HA TYR 54 -8.169 -6.450 -5.692
404 1HB TYR 54 2HB TYR 54 -8.602 -8.442 -3.499
405 2HB TYR 54 1HB TYR 54 -7.426 -8.793 -4.762
406 HD1 TYR 54 HD2 TYR 54 -5.639 -6.979 -5.210
407 HD2 TYR 54 HD1 TYR 54 -7.976 -7.147 -1.661
408 HE1 TYR 54 HE2 TYR 54 -3.969 -5.598 -4.055
409 HE2 TYR 54 HE1 TYR 54 -6.311 -5.763 -0.493
410 HH TYR 54 HH TYR 54 -3.518 -5.385 -1.047
No H/Q in entry = 410
Start of MODEL 4
1 HN PCA 1 HN PCA 1 -18.153 -15.239 2.274
2 HA PCA 1 HA PCA 1 -17.690 -13.526 0.445
3 1HB PCA 1 1HB PCA 1 -15.645 -12.564 0.524
4 2HB PCA 1 2HB PCA 1 -14.879 -14.123 0.136
5 1HG PCA 1 1HG PCA 1 -15.039 -12.794 2.703
6 2HG PCA 1 2HG PCA 1 -14.267 -14.344 2.322
7 H ASP 2 H ASP 2 -18.931 -15.116 -0.624
8 HA ASP 2 HA ASP 2 -17.574 -17.474 -1.655
9 1HB ASP 2 2HB ASP 2 -19.753 -18.166 -2.464
10 2HB ASP 2 1HB ASP 2 -19.898 -17.637 -0.790
11 H LYS 3 H LYS 3 -19.136 -14.536 -2.888
12 HA LYS 3 HA LYS 3 -17.576 -14.836 -5.354
13 1HB LYS 3 2HB LYS 3 -20.359 -15.216 -5.202
14 2HB LYS 3 1HB LYS 3 -20.152 -13.628 -5.923
15 1HG LYS 3 2HG LYS 3 -18.676 -16.032 -6.945
16 2HG LYS 3 1HG LYS 3 -20.306 -15.630 -7.486
17 1HD LYS 3 2HD LYS 3 -18.255 -13.476 -7.540
18 2HD LYS 3 1HD LYS 3 -18.143 -14.751 -8.756
19 1HE LYS 3 2HE LYS 3 -20.388 -14.294 -9.507
20 2HE LYS 3 1HE LYS 3 -20.622 -13.123 -8.209
21 1HZ LYS 3 1HZ LYS 3 -18.585 -12.843 -10.352
22 2HZ LYS 3 3HZ LYS 3 -20.112 -12.115 -10.395
23 3HZ LYS 3 2HZ LYS 3 -19.005 -11.688 -9.191
24 H CYS 4 H CYS 4 -17.255 -13.195 -2.956
25 HA CYS 4 HA CYS 4 -16.731 -11.062 -2.379
26 1HB CYS 4 2HB CYS 4 -16.149 -11.248 -5.291
27 2HB CYS 4 1HB CYS 4 -16.062 -9.657 -4.547
28 H LYS 5 H LYS 5 -19.499 -11.501 -2.576
29 HA LYS 5 HA LYS 5 -20.389 -8.781 -3.148
30 1HB LYS 5 2HB LYS 5 -22.346 -9.541 -4.412
31 2HB LYS 5 1HB LYS 5 -20.847 -9.980 -5.221
32 1HG LYS 5 2HG LYS 5 -21.855 -11.988 -5.427
33 2HG LYS 5 1HG LYS 5 -21.271 -12.218 -3.779
34 1HD LYS 5 2HD LYS 5 -23.552 -11.075 -3.149
35 2HD LYS 5 1HD LYS 5 -24.027 -11.626 -4.757
36 1HE LYS 5 2HE LYS 5 -24.647 -13.432 -3.485
37 2HE LYS 5 1HE LYS 5 -23.009 -13.898 -3.939
38 1HZ LYS 5 3HZ LYS 5 -23.593 -12.467 -1.415
39 2HZ LYS 5 2HZ LYS 5 -23.640 -14.154 -1.521
40 3HZ LYS 5 1HZ LYS 5 -22.197 -13.330 -1.831
41 H LYS 6 H LYS 6 -21.899 -8.048 -1.747
42 HA LYS 6 HA LYS 6 -23.479 -9.900 -0.168
43 1HB LYS 6 2HB LYS 6 -21.642 -7.941 1.213
44 2HB LYS 6 1HB LYS 6 -22.706 -9.113 1.976
45 1HG LYS 6 2HG LYS 6 -21.356 -10.921 0.911
46 2HG LYS 6 1HG LYS 6 -20.231 -9.676 0.363
47 1HD LYS 6 2HD LYS 6 -20.955 -10.292 3.226
48 2HD LYS 6 1HD LYS 6 -19.436 -10.698 2.424
49 1HE LYS 6 2HE LYS 6 -18.828 -8.766 3.490
50 2HE LYS 6 1HE LYS 6 -19.380 -8.113 1.948
51 1HZ LYS 6 1HZ LYS 6 -21.574 -7.750 3.018
52 2HZ LYS 6 3HZ LYS 6 -20.890 -8.195 4.500
53 3HZ LYS 6 2HZ LYS 6 -20.329 -6.822 3.688
54 H VAL 7 H VAL 7 -25.425 -9.063 0.333
55 HA VAL 7 HA VAL 7 -26.188 -6.572 -0.734
56 HB VAL 7 HB VAL 7 -28.297 -7.278 -0.424
57 1HG1 VAL 7 1HG1 VAL 7 -27.067 -9.373 -0.945
58 2HG1 VAL 7 3HG1 VAL 7 -27.076 -9.744 0.781
59 3HG1 VAL 7 2HG1 VAL 7 -28.597 -9.614 -0.099
60 1HG2 VAL 7 2HG2 VAL 7 -27.577 -7.862 2.446
61 2HG2 VAL 7 1HG2 VAL 7 -28.489 -6.487 1.825
62 3HG2 VAL 7 3HG2 VAL 7 -29.184 -8.107 1.766
63 H TYR 8 H TYR 8 -26.978 -4.698 0.327
64 HA TYR 8 HA TYR 8 -25.523 -4.146 2.800
65 1HB TYR 8 2HB TYR 8 -25.185 -2.478 1.115
66 2HB TYR 8 1HB TYR 8 -26.911 -2.335 0.820
67 HD1 TYR 8 HD2 TYR 8 -25.982 -2.577 4.328
68 HD2 TYR 8 HD1 TYR 8 -26.490 0.124 1.068
69 HE1 TYR 8 HE2 TYR 8 -26.075 -0.702 5.900
70 HE2 TYR 8 HE1 TYR 8 -26.578 2.008 2.650
71 HH TYR 8 HH TYR 8 -25.500 2.152 5.408
72 H GLU 9 H GLU 9 -26.707 -4.998 4.426
73 HA GLU 9 HA GLU 9 -29.514 -4.943 4.527
74 1HB GLU 9 2HB GLU 9 -27.831 -5.090 7.003
75 2HB GLU 9 1HB GLU 9 -29.337 -5.924 6.640
76 1HG GLU 9 2HG GLU 9 -28.184 -7.350 5.047
77 2HG GLU 9 1HG GLU 9 -26.673 -6.497 5.360
78 H ASN 10 H ASN 10 -30.766 -3.199 4.777
79 HA ASN 10 HA ASN 10 -30.569 -1.406 6.914
80 1HB ASN 10 2HB ASN 10 -28.574 -0.617 5.595
81 2HB ASN 10 1HB ASN 10 -29.670 -0.150 4.310
82 1HD2 ASN 10 2HD2 ASN 10 -28.874 2.409 7.162
83 2HD2 ASN 10 1HD2 ASN 10 -27.916 1.050 6.690
84 H TYR 11 H TYR 11 -31.279 0.090 3.840
85 HA TYR 11 HA TYR 11 -33.868 0.748 4.529
86 1HB TYR 11 2HB TYR 11 -33.752 0.483 1.665
87 2HB TYR 11 1HB TYR 11 -33.727 1.949 2.634
88 HD1 TYR 11 HD1 TYR 11 -31.394 2.582 3.655
89 HD2 TYR 11 HD2 TYR 11 -31.926 -0.040 0.342
90 HE1 TYR 11 HE1 TYR 11 -29.080 3.011 2.940
91 HE2 TYR 11 HE2 TYR 11 -29.627 0.382 -0.363
92 HH TYR 11 HH TYR 11 -27.842 2.864 0.521
93 HA PRO 12 HA PRO 12 -36.195 -2.960 3.914
94 1HB PRO 12 2HB PRO 12 -38.656 -1.963 3.471
95 2HB PRO 12 1HB PRO 12 -37.872 -1.836 5.051
96 1HG PRO 12 2HG PRO 12 -38.096 0.218 2.882
97 2HG PRO 12 1HG PRO 12 -38.328 0.407 4.631
98 1HD PRO 12 2HD PRO 12 -36.027 1.096 3.349
99 2HD PRO 12 1HD PRO 12 -36.074 0.556 5.040
100 H VAL 13 H VAL 13 -35.149 -1.140 1.521
101 HA VAL 13 HA VAL 13 -34.755 -1.874 -0.660
102 HB VAL 13 HB VAL 13 -37.509 -3.090 -0.555
103 1HG1 VAL 13 3HG1 VAL 13 -35.615 -2.588 -2.774
104 2HG1 VAL 13 2HG1 VAL 13 -36.501 -4.113 -2.777
105 3HG1 VAL 13 1HG1 VAL 13 -37.379 -2.585 -2.769
106 1HG2 VAL 13 1HG2 VAL 13 -34.759 -4.157 -0.200
107 2HG2 VAL 13 3HG2 VAL 13 -36.257 -4.644 0.587
108 3HG2 VAL 13 2HG2 VAL 13 -35.922 -5.161 -1.062
109 H SER 14 H SER 14 -36.692 0.229 0.800
110 HA SER 14 HA SER 14 -38.315 1.306 -1.219
111 1HB SER 14 2HB SER 14 -38.579 3.191 0.180
112 2HB SER 14 1HB SER 14 -38.280 1.860 1.299
113 HG SER 14 HG SER 14 -37.021 3.728 1.772
114 H LYS 15 H LYS 15 -35.394 2.935 0.003
115 HA LYS 15 HA LYS 15 -35.008 4.385 -2.401
116 1HB LYS 15 2HB LYS 15 -33.275 3.892 0.016
117 2HB LYS 15 1HB LYS 15 -32.703 4.835 -1.354
118 1HG LYS 15 2HG LYS 15 -34.550 6.407 -1.047
119 2HG LYS 15 1HG LYS 15 -35.123 5.462 0.329
120 1HD LYS 15 2HD LYS 15 -33.424 6.160 1.693
121 2HD LYS 15 1HD LYS 15 -32.296 6.378 0.355
122 1HE LYS 15 2HE LYS 15 -34.573 8.186 1.143
123 2HE LYS 15 1HE LYS 15 -32.849 8.534 1.242
124 1HZ LYS 15 1HZ LYS 15 -32.809 8.255 -1.238
125 2HZ LYS 15 3HZ LYS 15 -34.501 8.254 -1.200
126 3HZ LYS 15 2HZ LYS 15 -33.644 9.615 -0.676
127 H CYS 16 H CYS 16 -34.663 3.235 -4.231
128 HA CYS 16 HA CYS 16 -32.153 2.006 -4.656
129 1HB CYS 16 2HB CYS 16 -34.120 0.316 -3.514
130 2HB CYS 16 1HB CYS 16 -33.949 -0.188 -5.190
131 H GLN 17 H GLN 17 -34.051 3.934 -5.850
132 HA GLN 17 HA GLN 17 -34.374 2.698 -8.513
133 1HB GLN 17 2HB GLN 17 -35.868 5.075 -7.395
134 2HB GLN 17 1HB GLN 17 -36.147 4.298 -8.948
135 1HG GLN 17 2HG GLN 17 -36.721 2.208 -7.682
136 2HG GLN 17 1HG GLN 17 -36.674 3.176 -6.212
137 1HE2 GLN 17 2HE2 GLN 17 -40.122 3.480 -6.763
138 2HE2 GLN 17 1HE2 GLN 17 -38.880 2.660 -5.886
139 H LEU 18 H LEU 18 -31.897 3.781 -7.646
140 HA LEU 18 HA LEU 18 -31.314 5.507 -9.807
141 1HB LEU 18 2HB LEU 18 -32.002 6.709 -7.246
142 2HB LEU 18 1HB LEU 18 -30.404 7.193 -7.786
143 HG LEU 18 HG LEU 18 -32.685 7.345 -9.693
144 1HD1 LEU 18 2HD1 LEU 18 -32.209 9.118 -7.340
145 2HD1 LEU 18 1HD1 LEU 18 -32.810 9.810 -8.846
146 3HD1 LEU 18 3HD1 LEU 18 -33.730 8.547 -8.028
147 1HD2 LEU 18 1HD2 LEU 18 -30.155 8.933 -9.289
148 2HD2 LEU 18 3HD2 LEU 18 -30.463 7.737 -10.548
149 3HD2 LEU 18 2HD2 LEU 18 -31.361 9.254 -10.534
150 H ALA 19 H ALA 19 -29.378 4.851 -10.428
151 HA ALA 19 HA ALA 19 -27.642 3.266 -8.889
152 1HB ALA 19 2HB ALA 19 -27.784 3.467 -11.427
153 2HB ALA 19 1HB ALA 19 -26.767 4.898 -11.252
154 3HB ALA 19 3HB ALA 19 -26.174 3.324 -10.721
155 H ASN 20 H ASN 20 -28.066 5.253 -7.156
156 HA ASN 20 HA ASN 20 -25.439 6.535 -6.992
157 1HB ASN 20 2HB ASN 20 -27.065 8.162 -7.964
158 2HB ASN 20 1HB ASN 20 -28.022 8.026 -6.491
159 1HD2 ASN 20 2HD2 ASN 20 -24.522 9.280 -5.167
160 2HD2 ASN 20 1HD2 ASN 20 -24.917 7.649 -5.578
161 H GLN 21 H GLN 21 -28.323 7.070 -5.012
162 HA GLN 21 HA GLN 21 -27.225 7.033 -2.562
163 1HB GLN 21 2HB GLN 21 -29.604 7.388 -2.890
164 2HB GLN 21 1HB GLN 21 -29.824 5.707 -3.361
165 1HG GLN 21 2HG GLN 21 -30.597 6.031 -1.113
166 2HG GLN 21 1HG GLN 21 -29.163 5.009 -1.100
167 1HE2 GLN 21 2HE2 GLN 21 -27.949 8.711 -0.182
168 2HE2 GLN 21 1HE2 GLN 21 -28.479 8.242 -1.758
169 H CYS 22 H CYS 22 -28.568 4.067 -4.004
170 HA CYS 22 HA CYS 22 -27.507 2.312 -2.096
171 1HB CYS 22 2HB CYS 22 -29.361 1.675 -3.502
172 2HB CYS 22 1HB CYS 22 -28.367 1.820 -4.950
173 H ASN 23 H ASN 23 -26.323 2.947 -5.420
174 HA ASN 23 HA ASN 23 -24.095 1.287 -5.319
175 1HB ASN 23 2HB ASN 23 -25.052 2.649 -7.302
176 2HB ASN 23 1HB ASN 23 -24.019 3.951 -6.722
177 1HD2 ASN 23 2HD2 ASN 23 -21.014 1.962 -7.324
178 2HD2 ASN 23 1HD2 ASN 23 -21.754 2.790 -6.000
179 H TYR 24 H TYR 24 -24.035 4.830 -4.875
180 HA TYR 24 HA TYR 24 -21.462 5.055 -3.913
181 1HB TYR 24 2HB TYR 24 -22.436 7.114 -4.315
182 2HB TYR 24 1HB TYR 24 -23.951 6.668 -3.544
183 HD1 TYR 24 HD1 TYR 24 -20.519 6.451 -2.142
184 HD2 TYR 24 HD2 TYR 24 -24.296 8.397 -2.006
185 HE1 TYR 24 HE1 TYR 24 -19.822 7.646 -0.116
186 HE2 TYR 24 HE2 TYR 24 -23.611 9.600 0.025
187 HH TYR 24 HH TYR 24 -22.063 9.612 1.727
188 H ASP 25 H ASP 25 -24.433 4.241 -2.171
189 HA ASP 25 HA ASP 25 -23.436 4.339 0.418
190 1HB ASP 25 2HB ASP 25 -25.651 2.833 -0.886
191 2HB ASP 25 1HB ASP 25 -25.163 2.338 0.729
192 H CYS 26 H CYS 26 -23.662 1.445 -1.687
193 HA CYS 26 HA CYS 26 -22.243 -0.297 -0.054
194 1HB CYS 26 2HB CYS 26 -22.407 -0.106 -3.068
195 2HB CYS 26 1HB CYS 26 -21.528 -1.395 -2.260
196 H LYS 27 H LYS 27 -21.112 2.009 -2.457
197 HA LYS 27 HA LYS 27 -18.387 1.431 -2.387
198 1HB LYS 27 2HB LYS 27 -19.713 2.911 -4.002
199 2HB LYS 27 1HB LYS 27 -19.501 4.192 -2.817
200 1HG LYS 27 2HG LYS 27 -17.312 4.484 -3.319
201 2HG LYS 27 1HG LYS 27 -17.040 2.770 -3.620
202 1HD LYS 27 2HD LYS 27 -16.781 4.000 -5.683
203 2HD LYS 27 1HD LYS 27 -18.226 2.992 -5.778
204 1HE LYS 27 2HE LYS 27 -19.381 5.191 -4.871
205 2HE LYS 27 1HE LYS 27 -17.974 5.952 -5.612
206 1HZ LYS 27 2HZ LYS 27 -19.054 4.055 -7.390
207 2HZ LYS 27 1HZ LYS 27 -20.297 5.074 -6.866
208 3HZ LYS 27 3HZ LYS 27 -18.915 5.729 -7.589
209 H LEU 28 H LEU 28 -20.027 2.191 0.313
210 HA LEU 28 HA LEU 28 -17.658 3.055 1.659
211 1HB LEU 28 2HB LEU 28 -18.684 5.140 0.515
212 2HB LEU 28 1HB LEU 28 -19.874 5.059 1.802
213 HG LEU 28 HG LEU 28 -17.771 5.019 3.366
214 1HD1 LEU 28 2HD1 LEU 28 -16.334 4.896 1.187
215 2HD1 LEU 28 1HD1 LEU 28 -16.564 6.645 1.179
216 3HD1 LEU 28 3HD1 LEU 28 -15.795 5.863 2.560
217 1HD2 LEU 28 1HD2 LEU 28 -18.905 7.406 1.940
218 2HD2 LEU 28 3HD2 LEU 28 -19.292 6.798 3.549
219 3HD2 LEU 28 2HD2 LEU 28 -17.733 7.562 3.246
220 H ASP 29 H ASP 29 -21.175 2.641 1.850
221 HA ASP 29 HA ASP 29 -21.307 2.626 4.676
222 1HB ASP 29 2HB ASP 29 -23.122 1.712 2.481
223 2HB ASP 29 1HB ASP 29 -23.461 1.193 4.128
224 H LYS 30 H LYS 30 -19.997 0.415 2.501
225 HA LYS 30 HA LYS 30 -19.682 -1.551 4.643
226 1HB LYS 30 2HB LYS 30 -20.820 -2.120 1.915
227 2HB LYS 30 1HB LYS 30 -20.038 -3.372 2.869
228 1HG LYS 30 2HG LYS 30 -22.196 -1.772 4.142
229 2HG LYS 30 1HG LYS 30 -22.642 -3.002 2.959
230 1HD LYS 30 2HD LYS 30 -21.749 -4.735 4.248
231 2HD LYS 30 1HD LYS 30 -20.775 -3.631 5.222
232 1HE LYS 30 2HE LYS 30 -23.717 -3.266 5.312
233 2HE LYS 30 1HE LYS 30 -23.067 -4.704 6.097
234 1HZ LYS 30 3HZ LYS 30 -22.198 -1.918 6.645
235 2HZ LYS 30 2HZ LYS 30 -23.242 -2.824 7.619
236 3HZ LYS 30 1HZ LYS 30 -21.634 -3.309 7.426
237 H HIS 31 H HIS 31 -18.313 0.404 2.432
238 HA HIS 31 HA HIS 31 -16.211 0.621 1.591
239 1HB HIS 31 2HB HIS 31 -15.309 -1.825 3.070
240 2HB HIS 31 1HB HIS 31 -14.433 -0.331 2.753
241 HD1 HIS 31 HD1 HIS 31 -15.783 -2.052 5.475
242 HD2 HIS 31 HD2 HIS 31 -15.988 1.911 4.242
243 HE1 HIS 31 HE1 HIS 31 -16.391 -0.738 7.532
244 HE2 HIS 31 HE2 HIS 31 -16.506 1.658 6.764
245 H ALA 32 H ALA 32 -18.009 -0.681 -0.017
246 HA ALA 32 HA ALA 32 -16.727 -3.079 -1.056
247 1HB ALA 32 1HB ALA 32 -19.313 -2.516 -0.829
248 2HB ALA 32 3HB ALA 32 -19.053 -1.860 -2.446
249 3HB ALA 32 2HB ALA 32 -18.690 -3.555 -2.111
250 H ARG 33 H ARG 33 -16.930 -3.089 -3.650
251 HA ARG 33 HA ARG 33 -15.142 -0.946 -4.535
252 1HB ARG 33 2HB ARG 33 -14.140 -2.933 -5.139
253 2HB ARG 33 1HB ARG 33 -15.673 -3.756 -5.378
254 1HG ARG 33 2HG ARG 33 -14.460 -3.498 -7.469
255 2HG ARG 33 1HG ARG 33 -15.985 -2.617 -7.503
256 1HD ARG 33 2HD ARG 33 -14.089 -0.782 -6.537
257 2HD ARG 33 1HD ARG 33 -13.287 -1.632 -7.857
258 HE ARG 33 HE ARG 33 -15.304 0.317 -8.105
259 1HH1 ARG 33 1HH2 ARG 33 -14.308 -2.736 -9.455
260 2HH1 ARG 33 2HH2 ARG 33 -15.017 -2.430 -11.005
261 1HH2 ARG 33 2HH1 ARG 33 -16.247 0.727 -10.143
262 2HH2 ARG 33 1HH1 ARG 33 -16.120 -0.463 -11.396
263 H SER 34 H SER 34 -18.258 -2.364 -5.104
264 HA SER 34 HA SER 34 -19.434 -0.099 -6.191
265 1HB SER 34 2HB SER 34 -19.744 -0.915 -8.578
266 2HB SER 34 1HB SER 34 -18.128 -0.330 -8.184
267 HG SER 34 HG SER 34 -19.012 -2.919 -8.716
268 H GLY 35 H GLY 35 -21.659 -0.404 -6.483
269 1HA GLY 35 2HA GLY 35 -22.692 -3.139 -6.383
270 2HA GLY 35 1HA GLY 35 -23.056 -2.099 -5.015
271 H GLU 36 H GLU 36 -25.230 -2.912 -5.987
272 HA GLU 36 HA GLU 36 -26.575 -0.668 -6.962
273 1HB GLU 36 2HB GLU 36 -25.229 -2.075 -9.006
274 2HB GLU 36 1HB GLU 36 -26.931 -2.463 -9.200
275 1HG GLU 36 2HG GLU 36 -27.301 0.078 -9.012
276 2HG GLU 36 1HG GLU 36 -25.576 0.193 -9.356
277 H CYS 37 H CYS 37 -28.850 -1.220 -7.677
278 HA CYS 37 HA CYS 37 -29.856 -3.277 -5.888
279 1HB CYS 37 2HB CYS 37 -31.455 -1.357 -7.590
280 2HB CYS 37 1HB CYS 37 -32.014 -2.267 -6.191
281 H PHE 38 H PHE 38 -30.696 -5.169 -6.511
282 HA PHE 38 HA PHE 38 -31.454 -5.582 -9.302
283 1HB PHE 38 2HB PHE 38 -29.384 -7.228 -7.837
284 2HB PHE 38 1HB PHE 38 -30.164 -7.744 -9.328
285 HD1 PHE 38 HD2 PHE 38 -29.831 -6.382 -11.408
286 HD2 PHE 38 HD1 PHE 38 -27.568 -5.750 -7.860
287 HE1 PHE 38 HE2 PHE 38 -28.132 -5.171 -12.712
288 HE2 PHE 38 HE1 PHE 38 -25.865 -4.538 -9.157
289 HZ PHE 38 HZ PHE 38 -26.146 -4.247 -11.588
290 H TYR 39 H TYR 39 -32.548 -7.713 -9.595
291 HA TYR 39 HA TYR 39 -34.314 -8.163 -7.328
292 1HB TYR 39 2HB TYR 39 -34.483 -8.527 -10.251
293 2HB TYR 39 1HB TYR 39 -35.328 -9.741 -9.294
294 HD1 TYR 39 HD1 TYR 39 -37.175 -9.086 -7.811
295 HD2 TYR 39 HD2 TYR 39 -35.266 -6.261 -10.356
296 HE1 TYR 39 HE1 TYR 39 -39.055 -7.535 -7.489
297 HE2 TYR 39 HE2 TYR 39 -37.141 -4.701 -10.042
298 HH TYR 39 HH TYR 39 -39.545 -4.813 -9.422
299 H ASP 40 H ASP 40 -33.516 -9.532 -5.877
300 HA ASP 40 HA ASP 40 -32.045 -11.899 -6.728
301 1HB ASP 40 2HB ASP 40 -31.457 -12.177 -4.407
302 2HB ASP 40 1HB ASP 40 -31.223 -10.486 -4.836
303 H GLU 41 H GLU 41 -32.555 -13.818 -5.040
304 HA GLU 41 HA GLU 41 -34.997 -14.901 -5.901
305 1HB GLU 41 2HB GLU 41 -33.338 -15.795 -3.541
306 2HB GLU 41 1HB GLU 41 -34.514 -16.761 -4.422
307 1HG GLU 41 2HG GLU 41 -33.137 -17.032 -6.241
308 2HG GLU 41 1HG GLU 41 -32.198 -15.582 -5.880
309 H LYS 42 H LYS 42 -35.581 -12.413 -4.706
310 HA LYS 42 HA LYS 42 -37.489 -13.311 -2.695
311 1HB LYS 42 2HB LYS 42 -35.153 -12.088 -1.891
312 2HB LYS 42 1HB LYS 42 -36.255 -10.726 -1.987
313 1HG LYS 42 2HG LYS 42 -37.560 -12.875 -0.583
314 2HG LYS 42 1HG LYS 42 -35.969 -12.608 0.117
315 1HD LYS 42 2HD LYS 42 -37.452 -11.207 1.302
316 2HD LYS 42 1HD LYS 42 -36.556 -10.150 0.211
317 1HE LYS 42 2HE LYS 42 -38.418 -9.562 -0.919
318 2HE LYS 42 1HE LYS 42 -39.041 -11.210 -0.937
319 1HZ LYS 42 1HZ LYS 42 -39.126 -9.491 1.473
320 2HZ LYS 42 3HZ LYS 42 -40.384 -9.550 0.342
321 3HZ LYS 42 2HZ LYS 42 -39.953 -10.942 1.202
322 H ARG 43 H ARG 43 -37.418 -12.282 -5.528
323 HA ARG 43 HA ARG 43 -38.476 -10.742 -6.866
324 1HB ARG 43 2HB ARG 43 -40.542 -11.396 -4.765
325 2HB ARG 43 1HB ARG 43 -40.912 -10.525 -6.248
326 1HG ARG 43 2HG ARG 43 -39.497 -13.111 -6.530
327 2HG ARG 43 1HG ARG 43 -41.183 -13.171 -6.013
328 1HD ARG 43 2HD ARG 43 -40.212 -11.674 -8.444
329 2HD ARG 43 1HD ARG 43 -40.840 -13.321 -8.487
330 HE ARG 43 HE ARG 43 -42.836 -12.000 -7.284
331 1HH1 ARG 43 1HH2 ARG 43 -41.006 -11.321 -10.170
332 2HH1 ARG 43 2HH2 ARG 43 -42.306 -10.484 -10.952
333 1HH2 ARG 43 2HH1 ARG 43 -44.553 -10.903 -8.305
334 2HH2 ARG 43 1HH1 ARG 43 -44.323 -10.248 -9.891
335 H ASN 44 H ASN 44 -36.803 -9.432 -5.032
336 HA ASN 44 HA ASN 44 -38.194 -6.873 -4.846
337 1HB ASN 44 2HB ASN 44 -37.216 -8.458 -2.541
338 2HB ASN 44 1HB ASN 44 -36.801 -6.746 -2.518
339 1HD2 ASN 44 2HD2 ASN 44 -40.743 -7.846 -2.370
340 2HD2 ASN 44 1HD2 ASN 44 -39.588 -8.843 -3.181
341 H LEU 45 H LEU 45 -36.696 -5.050 -4.570
342 HA LEU 45 HA LEU 45 -34.275 -5.518 -6.090
343 1HB LEU 45 2HB LEU 45 -35.834 -3.123 -5.234
344 2HB LEU 45 1HB LEU 45 -34.145 -2.905 -5.656
345 HG LEU 45 HG LEU 45 -36.016 -4.296 -7.548
346 1HD1 LEU 45 3HD1 LEU 45 -35.777 -1.363 -6.993
347 2HD1 LEU 45 2HD1 LEU 45 -36.122 -1.937 -8.625
348 3HD1 LEU 45 1HD1 LEU 45 -37.218 -2.332 -7.301
349 1HD2 LEU 45 3HD2 LEU 45 -33.486 -2.690 -7.904
350 2HD2 LEU 45 2HD2 LEU 45 -33.642 -4.443 -8.019
351 3HD2 LEU 45 1HD2 LEU 45 -34.434 -3.408 -9.207
352 H GLN 46 H GLN 46 -32.825 -6.545 -4.762
353 HA GLN 46 HA GLN 46 -32.210 -5.395 -2.157
354 1HB GLN 46 2HB GLN 46 -31.818 -7.986 -3.467
355 2HB GLN 46 1HB GLN 46 -30.400 -7.455 -2.572
356 1HG GLN 46 2HG GLN 46 -31.913 -7.078 -0.604
357 2HG GLN 46 1HG GLN 46 -33.181 -7.889 -1.521
358 1HE2 GLN 46 2HE2 GLN 46 -31.362 -10.277 0.716
359 2HE2 GLN 46 1HE2 GLN 46 -32.109 -8.739 0.965
360 H CYS 47 H CYS 47 -30.332 -4.376 -1.637
361 HA CYS 47 HA CYS 47 -28.817 -3.284 -3.842
362 1HB CYS 47 2HB CYS 47 -29.169 -2.676 -0.963
363 2HB CYS 47 1HB CYS 47 -27.613 -2.238 -1.661
364 H ILE 48 H ILE 48 -27.566 -4.911 -4.667
365 HA ILE 48 HA ILE 48 -25.892 -6.523 -2.955
366 HB ILE 48 HB ILE 48 -25.861 -6.370 -5.959
367 1HG1 ILE 48 2HG1 ILE 48 -27.493 -8.115 -4.108
368 2HG1 ILE 48 1HG1 ILE 48 -28.107 -6.916 -5.243
369 1HG2 ILE 48 1HG2 ILE 48 -23.895 -7.421 -4.971
370 2HG2 ILE 48 3HG2 ILE 48 -24.932 -8.513 -4.054
371 3HG2 ILE 48 2HG2 ILE 48 -24.890 -8.606 -5.815
372 1HD1 ILE 48 1HD1 ILE 48 -26.989 -8.341 -7.050
373 2HD1 ILE 48 3HD1 ILE 48 -26.909 -9.594 -5.812
374 3HD1 ILE 48 2HD1 ILE 48 -28.471 -8.942 -6.309
375 H CYS 49 H CYS 49 -24.006 -5.880 -2.195
376 HA CYS 49 HA CYS 49 -22.527 -3.749 -3.567
377 1HB CYS 49 2HB CYS 49 -21.983 -4.981 -0.859
378 2HB CYS 49 1HB CYS 49 -21.259 -3.521 -1.514
379 H ASP 50 H ASP 50 -21.049 -4.434 -5.018
380 HA ASP 50 HA ASP 50 -19.771 -7.043 -4.626
381 1HB ASP 50 2HB ASP 50 -20.461 -6.963 -6.830
382 2HB ASP 50 1HB ASP 50 -20.144 -5.240 -6.986
383 H TYR 51 H TYR 51 -17.739 -7.307 -4.084
384 HA TYR 51 HA TYR 51 -16.129 -4.936 -3.492
385 1HB TYR 51 2HB TYR 51 -16.044 -7.805 -2.596
386 2HB TYR 51 1HB TYR 51 -14.726 -6.688 -2.256
387 HD1 TYR 51 HD1 TYR 51 -18.358 -7.256 -1.716
388 HD2 TYR 51 HD2 TYR 51 -14.858 -5.211 -0.427
389 HE1 TYR 51 HE1 TYR 51 -19.555 -6.483 0.289
390 HE2 TYR 51 HE2 TYR 51 -16.044 -4.430 1.579
391 HH TYR 51 HH TYR 51 -18.268 -4.074 2.380
392 H CYS 52 H CYS 52 -15.982 -8.042 -5.166
393 HA CYS 52 HA CYS 52 -13.499 -7.196 -6.504
394 1HB CYS 52 2HB CYS 52 -14.618 -9.994 -6.360
395 2HB CYS 52 1HB CYS 52 -13.017 -9.510 -6.888
396 H GLU 53 H GLU 53 -14.958 -9.825 -7.991
397 HA GLU 53 HA GLU 53 -15.631 -10.051 -10.175
398 1HB GLU 53 2HB GLU 53 -17.718 -9.877 -8.883
399 2HB GLU 53 1HB GLU 53 -17.709 -8.134 -9.106
400 1HG GLU 53 2HG GLU 53 -19.230 -9.485 -10.611
401 2HG GLU 53 1HG GLU 53 -18.177 -8.304 -11.389
402 H TYR 54 HN TYR 54 -16.860 -6.780 -9.863
403 HA TYR 54 HA TYR 54 -14.938 -5.209 -10.966
404 1HB TYR 54 2HB TYR 54 -15.829 -7.065 -12.968
405 2HB TYR 54 1HB TYR 54 -16.386 -5.468 -13.426
406 HD1 TYR 54 HD2 TYR 54 -13.212 -6.358 -11.647
407 HD2 TYR 54 HD1 TYR 54 -15.028 -4.922 -15.223
408 HE1 TYR 54 HE2 TYR 54 -11.010 -5.792 -12.529
409 HE2 TYR 54 HE1 TYR 54 -12.811 -4.358 -16.118
410 HH TYR 54 HH TYR 54 -9.863 -5.244 -14.429
No H/Q in entry = 410
Start of MODEL 5
1 HN PCA 1 HN PCA 1 -11.524 -14.900 -2.437
2 HA PCA 1 HA PCA 1 -11.785 -15.102 -4.949
3 1HB PCA 1 1HB PCA 1 -10.884 -16.990 -5.814
4 2HB PCA 1 2HB PCA 1 -12.219 -17.932 -5.111
5 1HG PCA 1 1HG PCA 1 -9.485 -17.831 -4.231
6 2HG PCA 1 2HG PCA 1 -10.835 -18.678 -3.455
7 H ASP 2 H ASP 2 -13.284 -16.575 -2.211
8 HA ASP 2 HA ASP 2 -15.880 -16.762 -3.535
9 1HB ASP 2 2HB ASP 2 -16.445 -17.516 -1.028
10 2HB ASP 2 1HB ASP 2 -15.742 -18.618 -2.207
11 H LYS 3 H LYS 3 -14.305 -14.239 -2.595
12 HA LYS 3 HA LYS 3 -16.573 -12.985 -1.177
13 1HB LYS 3 2HB LYS 3 -13.761 -11.929 -1.067
14 2HB LYS 3 1HB LYS 3 -15.101 -11.600 0.022
15 1HG LYS 3 2HG LYS 3 -14.943 -14.107 0.612
16 2HG LYS 3 1HG LYS 3 -13.343 -14.015 -0.128
17 1HD LYS 3 2HD LYS 3 -14.277 -12.178 2.074
18 2HD LYS 3 1HD LYS 3 -13.385 -13.674 2.359
19 1HE LYS 3 2HE LYS 3 -11.523 -12.835 1.034
20 2HE LYS 3 1HE LYS 3 -12.419 -11.357 0.688
21 1HZ LYS 3 2HZ LYS 3 -12.431 -10.892 3.086
22 2HZ LYS 3 1HZ LYS 3 -11.474 -12.260 3.353
23 3HZ LYS 3 3HZ LYS 3 -10.866 -10.964 2.453
24 H CYS 4 H CYS 4 -17.625 -11.498 -2.298
25 HA CYS 4 HA CYS 4 -16.288 -9.592 -3.947
26 1HB CYS 4 2HB CYS 4 -17.166 -12.040 -5.168
27 2HB CYS 4 1HB CYS 4 -18.100 -10.701 -5.830
28 H LYS 5 H LYS 5 -19.521 -10.857 -4.606
29 HA LYS 5 HA LYS 5 -20.615 -8.269 -3.825
30 1HB LYS 5 2HB LYS 5 -22.704 -9.147 -4.921
31 2HB LYS 5 1HB LYS 5 -21.317 -8.942 -5.978
32 1HG LYS 5 2HG LYS 5 -21.579 -11.053 -6.652
33 2HG LYS 5 1HG LYS 5 -21.150 -11.580 -5.026
34 1HD LYS 5 2HD LYS 5 -23.472 -11.530 -4.356
35 2HD LYS 5 1HD LYS 5 -23.942 -10.873 -5.926
36 1HE LYS 5 2HE LYS 5 -23.977 -13.526 -5.283
37 2HE LYS 5 1HE LYS 5 -23.867 -12.893 -6.926
38 1HZ LYS 5 3HZ LYS 5 -21.437 -13.010 -6.735
39 2HZ LYS 5 2HZ LYS 5 -21.590 -13.708 -5.202
40 3HZ LYS 5 1HZ LYS 5 -22.164 -14.528 -6.565
41 H LYS 6 H LYS 6 -21.964 -7.922 -2.167
42 HA LYS 6 HA LYS 6 -23.163 -10.183 -0.774
43 1HB LYS 6 2HB LYS 6 -22.298 -9.346 1.424
44 2HB LYS 6 1HB LYS 6 -21.076 -10.045 0.373
45 1HG LYS 6 2HG LYS 6 -20.184 -7.937 -0.167
46 2HG LYS 6 1HG LYS 6 -21.578 -7.091 0.508
47 1HD LYS 6 2HD LYS 6 -19.882 -6.835 2.112
48 2HD LYS 6 1HD LYS 6 -20.918 -8.113 2.745
49 1HE LYS 6 2HE LYS 6 -19.060 -9.506 1.246
50 2HE LYS 6 1HE LYS 6 -18.105 -8.206 1.954
51 1HZ LYS 6 2HZ LYS 6 -19.020 -8.853 4.139
52 2HZ LYS 6 1HZ LYS 6 -19.786 -10.173 3.411
53 3HZ LYS 6 3HZ LYS 6 -18.096 -10.074 3.421
54 H VAL 7 H VAL 7 -25.140 -9.715 -0.060
55 HA VAL 7 HA VAL 7 -26.336 -7.234 -0.630
56 HB VAL 7 HB VAL 7 -28.333 -8.146 0.026
57 1HG1 VAL 7 3HG1 VAL 7 -26.953 -9.677 -1.526
58 2HG1 VAL 7 2HG1 VAL 7 -26.874 -10.752 -0.130
59 3HG1 VAL 7 1HG1 VAL 7 -28.438 -10.304 -0.810
60 1HG2 VAL 7 2HG2 VAL 7 -26.818 -9.624 2.165
61 2HG2 VAL 7 1HG2 VAL 7 -28.033 -8.359 2.360
62 3HG2 VAL 7 3HG2 VAL 7 -28.508 -9.956 1.782
63 H TYR 8 H TYR 8 -26.490 -5.412 0.487
64 HA TYR 8 HA TYR 8 -25.166 -5.127 3.009
65 1HB TYR 8 2HB TYR 8 -25.041 -3.302 1.461
66 2HB TYR 8 1HB TYR 8 -26.793 -3.233 1.308
67 HD1 TYR 8 HD2 TYR 8 -28.159 -2.344 3.179
68 HD2 TYR 8 HD1 TYR 8 -23.913 -2.198 3.235
69 HE1 TYR 8 HE2 TYR 8 -28.240 -0.633 4.955
70 HE2 TYR 8 HE1 TYR 8 -23.978 -0.499 5.010
71 HH TYR 8 HH TYR 8 -25.310 0.517 6.534
72 H GLU 9 H GLU 9 -28.001 -6.470 2.310
73 HA GLU 9 HA GLU 9 -30.100 -6.582 3.276
74 1HB GLU 9 2HB GLU 9 -29.876 -7.391 5.640
75 2HB GLU 9 1HB GLU 9 -28.848 -8.224 4.488
76 1HG GLU 9 2HG GLU 9 -26.936 -6.913 5.207
77 2HG GLU 9 1HG GLU 9 -27.957 -6.017 6.330
78 H ASN 10 H ASN 10 -30.684 -5.967 6.080
79 HA ASN 10 HA ASN 10 -32.108 -4.140 6.682
80 1HB ASN 10 2HB ASN 10 -29.924 -4.691 8.105
81 2HB ASN 10 1HB ASN 10 -29.504 -3.046 7.641
82 1HD2 ASN 10 2HD2 ASN 10 -32.235 -1.587 9.433
83 2HD2 ASN 10 1HD2 ASN 10 -31.383 -1.465 7.936
84 H TYR 11 H TYR 11 -32.960 -2.740 5.274
85 HA TYR 11 HA TYR 11 -31.822 -0.199 4.867
86 1HB TYR 11 2HB TYR 11 -30.429 -1.671 3.297
87 2HB TYR 11 1HB TYR 11 -31.892 -1.856 2.344
88 HD1 TYR 11 HD2 TYR 11 -33.064 0.474 1.734
89 HD2 TYR 11 HD1 TYR 11 -28.947 -0.026 2.676
90 HE1 TYR 11 HE2 TYR 11 -32.542 2.547 0.521
91 HE2 TYR 11 HE1 TYR 11 -28.410 2.046 1.465
92 HH TYR 11 HH TYR 11 -29.808 3.367 -0.631
93 HA PRO 12 HA PRO 12 -36.236 0.214 4.138
94 1HB PRO 12 2HB PRO 12 -36.343 2.862 3.590
95 2HB PRO 12 1HB PRO 12 -36.074 2.242 5.222
96 1HG PRO 12 2HG PRO 12 -34.072 3.251 3.234
97 2HG PRO 12 1HG PRO 12 -34.201 3.606 4.967
98 1HD PRO 12 2HD PRO 12 -32.452 1.794 3.989
99 2HD PRO 12 1HD PRO 12 -33.219 1.609 5.579
100 H VAL 13 H VAL 13 -34.843 -0.923 2.045
101 HA VAL 13 HA VAL 13 -34.448 -0.717 -0.305
102 HB VAL 13 HB VAL 13 -37.412 -1.118 -0.195
103 1HG1 VAL 13 2HG1 VAL 13 -36.137 -1.191 -2.347
104 2HG1 VAL 13 1HG1 VAL 13 -35.282 -2.599 -1.718
105 3HG1 VAL 13 3HG1 VAL 13 -37.026 -2.665 -1.964
106 1HG2 VAL 13 3HG2 VAL 13 -35.293 -3.034 0.775
107 2HG2 VAL 13 2HG2 VAL 13 -36.594 -2.317 1.727
108 3HG2 VAL 13 1HG2 VAL 13 -36.969 -3.476 0.451
109 H SER 14 H SER 14 -34.349 1.876 0.161
110 HA SER 14 HA SER 14 -36.459 3.452 -0.840
111 1HB SER 14 2HB SER 14 -34.880 5.268 -0.892
112 2HB SER 14 1HB SER 14 -34.513 4.288 0.528
113 HG SER 14 HG SER 14 -32.923 4.910 -1.518
114 H LYS 15 H LYS 15 -34.029 4.633 -2.614
115 HA LYS 15 HA LYS 15 -35.214 3.984 -5.107
116 1HB LYS 15 2HB LYS 15 -32.447 5.108 -4.699
117 2HB LYS 15 1HB LYS 15 -33.499 5.317 -6.093
118 1HG LYS 15 2HG LYS 15 -35.083 6.555 -4.607
119 2HG LYS 15 1HG LYS 15 -33.851 6.485 -3.345
120 1HD LYS 15 2HD LYS 15 -32.281 7.589 -4.981
121 2HD LYS 15 1HD LYS 15 -33.681 7.852 -6.023
122 1HE LYS 15 2HE LYS 15 -33.063 9.030 -3.343
123 2HE LYS 15 1HE LYS 15 -33.517 9.845 -4.839
124 1HZ LYS 15 3HZ LYS 15 -35.746 8.852 -4.600
125 2HZ LYS 15 2HZ LYS 15 -35.290 8.218 -3.101
126 3HZ LYS 15 1HZ LYS 15 -35.354 9.894 -3.326
127 H CYS 16 H CYS 16 -34.070 2.984 -6.935
128 HA CYS 16 HA CYS 16 -31.830 1.333 -6.562
129 1HB CYS 16 2HB CYS 16 -34.465 0.179 -5.902
130 2HB CYS 16 1HB CYS 16 -33.456 -0.813 -6.945
131 H GLN 17 H GLN 17 -31.197 2.116 -8.457
132 HA GLN 17 HA GLN 17 -31.373 0.834 -10.778
133 1HB GLN 17 2HB GLN 17 -33.845 2.425 -10.390
134 2HB GLN 17 1HB GLN 17 -33.081 2.611 -11.959
135 1HG GLN 17 2HG GLN 17 -33.406 -0.165 -11.008
136 2HG GLN 17 1HG GLN 17 -34.888 0.703 -11.403
137 1HE2 GLN 17 2HE2 GLN 17 -32.272 0.677 -14.518
138 2HE2 GLN 17 1HE2 GLN 17 -31.834 1.324 -12.978
139 H LEU 18 H LEU 18 -31.867 4.122 -9.599
140 HA LEU 18 HA LEU 18 -30.133 5.307 -11.557
141 1HB LEU 18 2HB LEU 18 -30.997 6.587 -8.977
142 2HB LEU 18 1HB LEU 18 -30.573 7.369 -10.489
143 HG LEU 18 HG LEU 18 -33.084 5.829 -9.861
144 1HD1 LEU 18 3HD1 LEU 18 -32.546 8.677 -10.680
145 2HD1 LEU 18 2HD1 LEU 18 -34.150 7.956 -10.545
146 3HD1 LEU 18 1HD1 LEU 18 -33.130 8.113 -9.114
147 1HD2 LEU 18 2HD2 LEU 18 -31.897 6.614 -12.491
148 2HD2 LEU 18 1HD2 LEU 18 -32.679 5.105 -12.021
149 3HD2 LEU 18 3HD2 LEU 18 -33.647 6.556 -12.282
150 H ALA 19 H ALA 19 -27.980 5.463 -11.481
151 HA ALA 19 HA ALA 19 -26.394 4.218 -9.585
152 1HB ALA 19 3HB ALA 19 -25.639 4.903 -11.840
153 2HB ALA 19 2HB ALA 19 -25.585 6.575 -11.284
154 3HB ALA 19 1HB ALA 19 -24.514 5.372 -10.565
155 H ASN 20 H ASN 20 -26.973 4.736 -7.486
156 HA ASN 20 HA ASN 20 -25.656 6.936 -6.309
157 1HB ASN 20 2HB ASN 20 -27.517 8.206 -7.284
158 2HB ASN 20 1HB ASN 20 -28.670 7.158 -6.465
159 1HD2 ASN 20 2HD2 ASN 20 -26.481 9.810 -4.238
160 2HD2 ASN 20 1HD2 ASN 20 -25.820 9.125 -5.679
161 H GLN 21 H GLN 21 -28.415 6.760 -4.583
162 HA GLN 21 HA GLN 21 -28.039 5.967 -2.259
163 1HB GLN 21 2HB GLN 21 -30.002 4.675 -4.095
164 2HB GLN 21 1HB GLN 21 -29.847 4.034 -2.465
165 1HG GLN 21 2HG GLN 21 -30.457 6.897 -3.160
166 2HG GLN 21 1HG GLN 21 -31.635 5.690 -2.646
167 1HE2 GLN 21 2HE2 GLN 21 -29.241 7.568 0.034
168 2HE2 GLN 21 1HE2 GLN 21 -29.026 7.755 -1.670
169 H CYS 22 H CYS 22 -28.495 3.022 -4.148
170 HA CYS 22 HA CYS 22 -27.075 1.373 -2.411
171 1HB CYS 22 2HB CYS 22 -28.688 0.927 -4.510
172 2HB CYS 22 1HB CYS 22 -27.138 0.621 -5.284
173 H ASN 23 H ASN 23 -26.036 2.620 -5.579
174 HA ASN 23 HA ASN 23 -23.472 1.595 -5.607
175 1HB ASN 23 2HB ASN 23 -24.800 2.930 -7.408
176 2HB ASN 23 1HB ASN 23 -24.039 4.344 -6.684
177 1HD2 ASN 23 2HD2 ASN 23 -21.504 1.558 -8.283
178 2HD2 ASN 23 1HD2 ASN 23 -22.847 1.070 -7.312
179 H TYR 24 H TYR 24 -24.317 4.945 -4.675
180 HA TYR 24 HA TYR 24 -21.837 5.714 -3.744
181 1HB TYR 24 2HB TYR 24 -23.179 7.547 -3.762
182 2HB TYR 24 1HB TYR 24 -24.615 6.619 -3.352
183 HD1 TYR 24 HD2 TYR 24 -21.398 7.488 -1.637
184 HD2 TYR 24 HD1 TYR 24 -25.643 7.319 -1.424
185 HE1 TYR 24 HE2 TYR 24 -21.314 8.379 0.651
186 HE2 TYR 24 HE1 TYR 24 -25.570 8.208 0.863
187 HH TYR 24 HH TYR 24 -23.633 8.156 2.801
188 H ASP 25 H ASP 25 -24.516 4.487 -1.712
189 HA ASP 25 HA ASP 25 -23.203 4.412 0.701
190 1HB ASP 25 2HB ASP 25 -25.270 2.496 -0.391
191 2HB ASP 25 1HB ASP 25 -24.759 2.528 1.294
192 H CYS 26 H CYS 26 -23.370 1.715 -1.655
193 HA CYS 26 HA CYS 26 -21.705 -0.018 -0.227
194 1HB CYS 26 2HB CYS 26 -22.164 0.223 -3.207
195 2HB CYS 26 1HB CYS 26 -21.253 -1.087 -2.462
196 H LYS 27 H LYS 27 -20.914 2.383 -2.729
197 HA LYS 27 HA LYS 27 -18.137 1.924 -2.739
198 1HB LYS 27 2HB LYS 27 -19.944 3.729 -3.998
199 2HB LYS 27 1HB LYS 27 -18.663 4.696 -3.282
200 1HG LYS 27 2HG LYS 27 -16.991 3.572 -4.521
201 2HG LYS 27 1HG LYS 27 -18.117 2.314 -5.031
202 1HD LYS 27 2HD LYS 27 -18.655 5.164 -5.748
203 2HD LYS 27 1HD LYS 27 -17.471 4.237 -6.669
204 1HE LYS 27 2HE LYS 27 -20.161 3.058 -6.164
205 2HE LYS 27 1HE LYS 27 -19.986 4.306 -7.397
206 1HZ LYS 27 1HZ LYS 27 -18.069 2.837 -8.230
207 2HZ LYS 27 3HZ LYS 27 -18.792 1.613 -7.313
208 3HZ LYS 27 2HZ LYS 27 -19.656 2.356 -8.563
209 H LEU 28 H LEU 28 -19.769 2.488 -0.140
210 HA LEU 28 HA LEU 28 -17.584 3.612 1.321
211 1HB LEU 28 2HB LEU 28 -18.994 5.589 0.391
212 2HB LEU 28 1HB LEU 28 -20.180 5.096 1.586
213 HG LEU 28 HG LEU 28 -18.243 5.291 3.286
214 1HD1 LEU 28 3HD1 LEU 28 -17.132 6.801 0.934
215 2HD1 LEU 28 2HD1 LEU 28 -16.617 7.086 2.596
216 3HD1 LEU 28 1HD1 LEU 28 -16.371 5.504 1.857
217 1HD2 LEU 28 1HD2 LEU 28 -19.605 7.616 1.958
218 2HD2 LEU 28 3HD2 LEU 28 -20.057 6.782 3.445
219 3HD2 LEU 28 2HD2 LEU 28 -18.614 7.795 3.406
220 H ASP 29 H ASP 29 -19.839 4.412 3.354
221 HA ASP 29 HA ASP 29 -20.693 3.382 5.216
222 1HB ASP 29 2HB ASP 29 -21.541 1.534 2.987
223 2HB ASP 29 1HB ASP 29 -21.973 1.198 4.660
224 H LYS 30 H LYS 30 -19.847 0.446 3.424
225 HA LYS 30 HA LYS 30 -18.036 -0.325 5.608
226 1HB LYS 30 2HB LYS 30 -18.794 -2.242 3.445
227 2HB LYS 30 1HB LYS 30 -18.507 -2.541 5.155
228 1HG LYS 30 2HG LYS 30 -20.665 -1.601 5.717
229 2HG LYS 30 1HG LYS 30 -20.944 -1.177 4.028
230 1HD LYS 30 2HD LYS 30 -21.984 -3.169 3.869
231 2HD LYS 30 1HD LYS 30 -20.373 -3.876 3.886
232 1HE LYS 30 2HE LYS 30 -22.239 -3.487 6.218
233 2HE LYS 30 1HE LYS 30 -21.699 -5.011 5.515
234 1HZ LYS 30 2HZ LYS 30 -19.366 -3.900 6.152
235 2HZ LYS 30 1HZ LYS 30 -20.340 -3.244 7.371
236 3HZ LYS 30 3HZ LYS 30 -20.226 -4.922 7.190
237 H HIS 31 H HIS 31 -18.024 1.097 2.659
238 HA HIS 31 HA HIS 31 -16.379 1.711 1.237
239 1HB HIS 31 2HB HIS 31 -14.365 0.177 2.840
240 2HB HIS 31 1HB HIS 31 -14.164 1.693 1.959
241 HD1 HIS 31 HD1 HIS 31 -15.030 3.861 3.115
242 HD2 HIS 31 HD2 HIS 31 -15.418 0.430 5.409
243 HE1 HIS 31 HE1 HIS 31 -15.619 4.653 5.427
244 HE2 HIS 31 HE2 HIS 31 -15.764 2.565 6.817
245 H ALA 32 H ALA 32 -17.710 0.071 -0.002
246 HA ALA 32 HA ALA 32 -16.248 -2.347 -0.713
247 1HB ALA 32 2HB ALA 32 -18.813 -2.158 -0.416
248 2HB ALA 32 1HB ALA 32 -18.790 -1.442 -2.028
249 3HB ALA 32 3HB ALA 32 -18.186 -3.081 -1.780
250 H ARG 33 H ARG 33 -16.991 -2.520 -3.408
251 HA ARG 33 HA ARG 33 -15.136 -0.585 -4.598
252 1HB ARG 33 2HB ARG 33 -15.165 -3.232 -4.794
253 2HB ARG 33 1HB ARG 33 -16.267 -2.899 -6.116
254 1HG ARG 33 2HG ARG 33 -13.963 -1.221 -6.395
255 2HG ARG 33 1HG ARG 33 -13.422 -2.878 -6.113
256 1HD ARG 33 2HD ARG 33 -13.784 -2.184 -8.527
257 2HD ARG 33 1HD ARG 33 -14.553 -3.682 -8.004
258 HE ARG 33 HE ARG 33 -16.564 -2.035 -7.661
259 1HH1 ARG 33 1HH2 ARG 33 -14.251 -2.097 -10.265
260 2HH1 ARG 33 2HH2 ARG 33 -15.360 -1.467 -11.438
261 1HH2 ARG 33 2HH1 ARG 33 -18.033 -1.209 -9.198
262 2HH2 ARG 33 1HH1 ARG 33 -17.510 -0.961 -10.830
263 H SER 34 H SER 34 -18.407 -1.778 -4.725
264 HA SER 34 HA SER 34 -19.498 0.593 -5.735
265 1HB SER 34 2HB SER 34 -20.155 -0.051 -7.983
266 2HB SER 34 1HB SER 34 -18.402 -0.149 -7.843
267 HG SER 34 HG SER 34 -20.078 -2.393 -7.445
268 H GLY 35 H GLY 35 -21.822 -0.261 -6.922
269 1HA GLY 35 2HA GLY 35 -22.883 -2.467 -5.347
270 2HA GLY 35 1HA GLY 35 -23.525 -0.880 -4.958
271 H GLU 36 H GLU 36 -25.317 -2.636 -5.657
272 HA GLU 36 HA GLU 36 -26.616 -1.525 -7.874
273 1HB GLU 36 2HB GLU 36 -24.682 -3.360 -8.664
274 2HB GLU 36 1HB GLU 36 -26.167 -4.297 -8.700
275 1HG GLU 36 2HG GLU 36 -27.122 -2.312 -10.039
276 2HG GLU 36 1HG GLU 36 -25.432 -1.863 -10.273
277 H CYS 37 H CYS 37 -28.778 -2.166 -7.936
278 HA CYS 37 HA CYS 37 -29.615 -3.758 -5.657
279 1HB CYS 37 2HB CYS 37 -31.172 -2.063 -7.605
280 2HB CYS 37 1HB CYS 37 -31.900 -2.955 -6.274
281 H PHE 38 H PHE 38 -31.265 -5.393 -5.810
282 HA PHE 38 HA PHE 38 -31.657 -6.652 -8.413
283 1HB PHE 38 2HB PHE 38 -30.113 -7.863 -6.146
284 2HB PHE 38 1HB PHE 38 -31.056 -8.902 -7.209
285 HD1 PHE 38 HD1 PHE 38 -30.462 -9.134 -9.563
286 HD2 PHE 38 HD2 PHE 38 -28.117 -6.785 -6.902
287 HE1 PHE 38 HE1 PHE 38 -28.616 -9.143 -11.189
288 HE2 PHE 38 HE2 PHE 38 -26.266 -6.789 -8.523
289 HZ PHE 38 HZ PHE 38 -26.513 -7.969 -10.670
290 H TYR 39 H TYR 39 -33.534 -7.845 -8.556
291 HA TYR 39 HA TYR 39 -35.423 -7.463 -6.393
292 1HB TYR 39 2HB TYR 39 -35.631 -8.290 -9.254
293 2HB TYR 39 1HB TYR 39 -36.954 -8.666 -8.154
294 HD1 TYR 39 HD2 TYR 39 -38.135 -6.788 -6.969
295 HD2 TYR 39 HD1 TYR 39 -35.316 -6.098 -10.086
296 HE1 TYR 39 HE2 TYR 39 -39.024 -4.513 -7.265
297 HE2 TYR 39 HE1 TYR 39 -36.199 -3.821 -10.386
298 HH TYR 39 HH TYR 39 -38.587 -2.687 -9.864
299 H ASP 40 H ASP 40 -37.034 -9.332 -6.060
300 HA ASP 40 HA ASP 40 -35.517 -11.828 -5.629
301 1HB ASP 40 2HB ASP 40 -36.658 -12.159 -3.567
302 2HB ASP 40 1HB ASP 40 -36.114 -10.485 -3.559
303 H GLU 41 H GLU 41 -37.244 -13.662 -5.094
304 HA GLU 41 HA GLU 41 -38.593 -14.136 -7.520
305 1HB GLU 41 2HB GLU 41 -39.660 -16.046 -6.005
306 2HB GLU 41 1HB GLU 41 -37.998 -16.125 -6.570
307 1HG GLU 41 2HG GLU 41 -37.125 -15.601 -4.497
308 2HG GLU 41 1HG GLU 41 -38.626 -14.860 -3.941
309 H LYS 42 H LYS 42 -39.484 -11.744 -6.012
310 HA LYS 42 HA LYS 42 -42.342 -12.229 -6.295
311 1HB LYS 42 2HB LYS 42 -42.162 -12.559 -3.962
312 2HB LYS 42 1HB LYS 42 -40.989 -11.265 -3.784
313 1HG LYS 42 2HG LYS 42 -43.092 -10.589 -2.847
314 2HG LYS 42 1HG LYS 42 -42.759 -9.622 -4.279
315 1HD LYS 42 2HD LYS 42 -45.061 -10.236 -4.344
316 2HD LYS 42 1HD LYS 42 -44.231 -11.193 -5.570
317 1HE LYS 42 2HE LYS 42 -44.382 -13.149 -4.321
318 2HE LYS 42 1HE LYS 42 -44.633 -12.278 -2.809
319 1HZ LYS 42 1HZ LYS 42 -46.740 -11.573 -4.441
320 2HZ LYS 42 3HZ LYS 42 -46.559 -13.242 -4.652
321 3HZ LYS 42 2HZ LYS 42 -46.791 -12.605 -3.103
322 H ARG 43 H ARG 43 -40.518 -9.590 -4.857
323 HA ARG 43 HA ARG 43 -40.306 -7.924 -7.090
324 1HB ARG 43 2HB ARG 43 -42.790 -7.954 -6.975
325 2HB ARG 43 1HB ARG 43 -42.696 -7.256 -5.369
326 1HG ARG 43 2HG ARG 43 -41.174 -5.714 -7.305
327 2HG ARG 43 1HG ARG 43 -42.863 -5.875 -7.779
328 1HD ARG 43 2HD ARG 43 -42.085 -3.904 -6.248
329 2HD ARG 43 1HD ARG 43 -43.626 -4.709 -5.963
330 HE ARG 43 HE ARG 43 -41.270 -5.603 -4.476
331 1HH1 ARG 43 1HH2 ARG 43 -44.356 -3.987 -4.529
332 2HH1 ARG 43 2HH2 ARG 43 -44.549 -4.026 -2.808
333 1HH2 ARG 43 2HH1 ARG 43 -41.517 -5.663 -2.215
334 2HH2 ARG 43 1HH1 ARG 43 -42.935 -4.981 -1.491
335 H ASN 44 H ASN 44 -39.373 -8.730 -4.184
336 HA ASN 44 HA ASN 44 -38.991 -6.075 -3.064
337 1HB ASN 44 2HB ASN 44 -37.836 -8.605 -1.920
338 2HB ASN 44 1HB ASN 44 -38.291 -7.124 -1.082
339 1HD2 ASN 44 2HD2 ASN 44 -41.272 -8.557 -0.116
340 2HD2 ASN 44 1HD2 ASN 44 -39.853 -7.653 0.278
341 H LEU 45 H LEU 45 -37.153 -4.944 -3.130
342 HA LEU 45 HA LEU 45 -35.011 -5.973 -4.795
343 1HB LEU 45 2HB LEU 45 -35.826 -3.277 -3.838
344 2HB LEU 45 1HB LEU 45 -34.176 -3.522 -4.379
345 HG LEU 45 HG LEU 45 -36.407 -4.407 -6.153
346 1HD1 LEU 45 1HD1 LEU 45 -35.790 -1.603 -5.427
347 2HD1 LEU 45 3HD1 LEU 45 -36.030 -1.956 -7.139
348 3HD1 LEU 45 2HD1 LEU 45 -37.299 -2.332 -5.974
349 1HD2 LEU 45 1HD2 LEU 45 -33.744 -4.574 -6.414
350 2HD2 LEU 45 3HD2 LEU 45 -34.835 -4.384 -7.784
351 3HD2 LEU 45 2HD2 LEU 45 -34.004 -2.984 -7.126
352 H GLN 46 H GLN 46 -32.778 -5.626 -4.241
353 HA GLN 46 HA GLN 46 -32.166 -5.523 -1.382
354 1HB GLN 46 2HB GLN 46 -31.421 -7.790 -3.236
355 2HB GLN 46 1HB GLN 46 -30.605 -7.499 -1.705
356 1HG GLN 46 2HG GLN 46 -32.607 -7.903 -0.479
357 2HG GLN 46 1HG GLN 46 -33.564 -7.963 -1.959
358 1HE2 GLN 46 2HE2 GLN 46 -32.746 -11.393 -0.669
359 2HE2 GLN 46 1HE2 GLN 46 -33.378 -9.969 0.078
360 H CYS 47 H CYS 47 -30.282 -4.497 -0.953
361 HA CYS 47 HA CYS 47 -28.921 -3.260 -3.185
362 1HB CYS 47 2HB CYS 47 -29.442 -2.586 -0.466
363 2HB CYS 47 1HB CYS 47 -27.697 -2.573 -0.687
364 H ILE 48 H ILE 48 -27.546 -4.637 -4.195
365 HA ILE 48 HA ILE 48 -25.782 -6.340 -2.635
366 HB ILE 48 HB ILE 48 -26.351 -6.120 -5.576
367 1HG1 ILE 48 2HG1 ILE 48 -27.117 -8.376 -5.350
368 2HG1 ILE 48 1HG1 ILE 48 -26.418 -8.517 -3.741
369 1HG2 ILE 48 2HG2 ILE 48 -24.012 -7.402 -4.233
370 2HG2 ILE 48 1HG2 ILE 48 -24.689 -8.110 -5.700
371 3HG2 ILE 48 3HG2 ILE 48 -24.071 -6.458 -5.722
372 1HD1 ILE 48 3HD1 ILE 48 -28.634 -6.608 -4.409
373 2HD1 ILE 48 2HD1 ILE 48 -28.902 -8.249 -3.826
374 3HD1 ILE 48 1HD1 ILE 48 -28.053 -7.080 -2.813
375 H CYS 49 H CYS 49 -23.905 -5.617 -1.920
376 HA CYS 49 HA CYS 49 -22.583 -3.371 -3.268
377 1HB CYS 49 2HB CYS 49 -22.126 -4.695 -0.588
378 2HB CYS 49 1HB CYS 49 -21.080 -3.436 -1.236
379 H ASP 50 H ASP 50 -21.069 -3.775 -4.710
380 HA ASP 50 HA ASP 50 -19.829 -6.415 -4.812
381 1HB ASP 50 2HB ASP 50 -20.782 -5.603 -6.884
382 2HB ASP 50 1HB ASP 50 -19.827 -4.127 -6.783
383 H TYR 51 H TYR 51 -17.946 -6.830 -4.094
384 HA TYR 51 HA TYR 51 -16.124 -4.662 -3.383
385 1HB TYR 51 2HB TYR 51 -16.279 -7.572 -2.618
386 2HB TYR 51 1HB TYR 51 -14.904 -6.554 -2.195
387 HD1 TYR 51 HD1 TYR 51 -18.644 -6.440 -1.982
388 HD2 TYR 51 HD2 TYR 51 -14.927 -5.630 -0.077
389 HE1 TYR 51 HE1 TYR 51 -19.847 -5.694 0.026
390 HE2 TYR 51 HE2 TYR 51 -16.120 -4.873 1.937
391 HH TYR 51 HH TYR 51 -18.438 -3.931 2.460
392 H CYS 52 H CYS 52 -15.030 -7.897 -4.036
393 HA CYS 52 HA CYS 52 -13.432 -8.678 -5.466
394 1HB CYS 52 2HB CYS 52 -14.668 -6.890 -7.543
395 2HB CYS 52 1HB CYS 52 -13.942 -8.478 -7.765
396 H GLU 53 H GLU 53 -12.937 -6.092 -4.037
397 HA GLU 53 HA GLU 53 -11.633 -4.161 -5.402
398 1HB GLU 53 2HB GLU 53 -11.813 -4.116 -2.985
399 2HB GLU 53 1HB GLU 53 -10.709 -5.478 -2.845
400 1HG GLU 53 2HG GLU 53 -8.869 -4.188 -3.547
401 2HG GLU 53 1HG GLU 53 -9.906 -2.876 -4.104
402 H TYR 54 HN TYR 54 -10.477 -4.556 -7.192
403 HA TYR 54 HA TYR 54 -8.396 -6.605 -7.169
404 1HB TYR 54 2HB TYR 54 -9.284 -6.857 -9.239
405 2HB TYR 54 1HB TYR 54 -10.017 -5.259 -9.214
406 HD1 TYR 54 HD1 TYR 54 -6.867 -7.082 -9.904
407 HD2 TYR 54 HD2 TYR 54 -9.036 -3.454 -10.383
408 HE1 TYR 54 HE1 TYR 54 -5.181 -6.293 -11.512
409 HE2 TYR 54 HE2 TYR 54 -7.358 -2.655 -11.994
410 HH TYR 54 HH TYR 54 -5.089 -3.039 -12.630
No H/Q in entry = 410
Start of MODEL 6
1 HN PCA 1 HN PCA 1 -10.319 -13.406 -5.270
2 HA PCA 1 HA PCA 1 -8.665 -14.421 -3.618
3 1HB PCA 1 1HB PCA 1 -8.109 -13.095 -1.873
4 2HB PCA 1 2HB PCA 1 -9.773 -13.186 -1.250
5 1HG PCA 1 1HG PCA 1 -8.500 -11.005 -2.672
6 2HG PCA 1 2HG PCA 1 -10.152 -11.074 -2.033
7 H ASP 2 H ASP 2 -11.929 -13.405 -2.591
8 HA ASP 2 HA ASP 2 -12.984 -16.042 -2.849
9 1HB ASP 2 2HB ASP 2 -13.609 -16.091 -0.313
10 2HB ASP 2 1HB ASP 2 -12.026 -16.663 -0.829
11 H LYS 3 H LYS 3 -14.474 -14.862 -4.102
12 HA LYS 3 HA LYS 3 -16.472 -13.854 -4.491
13 1HB LYS 3 2HB LYS 3 -16.694 -15.032 -1.900
14 2HB LYS 3 1HB LYS 3 -17.549 -13.497 -1.866
15 1HG LYS 3 2HG LYS 3 -18.989 -14.148 -3.620
16 2HG LYS 3 1HG LYS 3 -17.995 -15.551 -4.013
17 1HD LYS 3 2HD LYS 3 -18.534 -16.306 -1.592
18 2HD LYS 3 1HD LYS 3 -19.844 -15.129 -1.692
19 1HE LYS 3 2HE LYS 3 -20.815 -16.263 -3.550
20 2HE LYS 3 1HE LYS 3 -19.410 -17.313 -3.720
21 1HZ LYS 3 1HZ LYS 3 -20.305 -17.652 -1.132
22 2HZ LYS 3 3HZ LYS 3 -21.700 -17.652 -2.090
23 3HZ LYS 3 2HZ LYS 3 -20.452 -18.745 -2.414
24 H CYS 4 H CYS 4 -17.742 -11.838 -4.081
25 HA CYS 4 HA CYS 4 -16.509 -9.767 -2.539
26 1HB CYS 4 2HB CYS 4 -15.523 -10.187 -5.158
27 2HB CYS 4 1HB CYS 4 -16.492 -8.724 -5.227
28 H LYS 5 H LYS 5 -19.157 -10.869 -2.664
29 HA LYS 5 HA LYS 5 -20.600 -8.394 -3.160
30 1HB LYS 5 2HB LYS 5 -22.354 -9.487 -4.501
31 2HB LYS 5 1HB LYS 5 -20.793 -9.479 -5.307
32 1HG LYS 5 2HG LYS 5 -21.238 -11.646 -5.705
33 2HG LYS 5 1HG LYS 5 -20.697 -11.878 -4.041
34 1HD LYS 5 2HD LYS 5 -23.139 -11.489 -3.382
35 2HD LYS 5 1HD LYS 5 -23.508 -11.708 -5.094
36 1HE LYS 5 2HE LYS 5 -22.009 -13.701 -3.401
37 2HE LYS 5 1HE LYS 5 -23.738 -13.782 -3.743
38 1HZ LYS 5 3HZ LYS 5 -22.250 -13.475 -6.138
39 2HZ LYS 5 2HZ LYS 5 -21.695 -14.817 -5.271
40 3HZ LYS 5 1HZ LYS 5 -23.326 -14.704 -5.699
41 H LYS 6 H LYS 6 -22.005 -8.008 -1.571
42 HA LYS 6 HA LYS 6 -23.464 -10.191 -0.347
43 1HB LYS 6 2HB LYS 6 -22.609 -10.112 1.779
44 2HB LYS 6 1HB LYS 6 -21.156 -9.796 0.845
45 1HG LYS 6 2HG LYS 6 -21.414 -7.395 1.263
46 2HG LYS 6 1HG LYS 6 -22.866 -7.721 2.210
47 1HD LYS 6 2HD LYS 6 -21.350 -7.644 3.906
48 2HD LYS 6 1HD LYS 6 -21.214 -9.353 3.491
49 1HE LYS 6 2HE LYS 6 -19.379 -7.101 2.700
50 2HE LYS 6 1HE LYS 6 -19.006 -8.501 3.704
51 1HZ LYS 6 2HZ LYS 6 -19.549 -9.858 1.647
52 2HZ LYS 6 1HZ LYS 6 -19.444 -8.409 0.782
53 3HZ LYS 6 3HZ LYS 6 -18.099 -8.990 1.630
54 H VAL 7 H VAL 7 -25.426 -9.591 0.428
55 HA VAL 7 HA VAL 7 -26.487 -7.089 -0.286
56 HB VAL 7 HB VAL 7 -28.525 -7.782 0.609
57 1HG1 VAL 7 2HG1 VAL 7 -26.996 -10.299 -0.037
58 2HG1 VAL 7 1HG1 VAL 7 -28.752 -10.144 -0.015
59 3HG1 VAL 7 3HG1 VAL 7 -27.801 -9.237 -1.192
60 1HG2 VAL 7 2HG2 VAL 7 -26.884 -9.366 2.556
61 2HG2 VAL 7 1HG2 VAL 7 -28.121 -8.150 2.874
62 3HG2 VAL 7 3HG2 VAL 7 -28.584 -9.742 2.273
63 H TYR 8 H TYR 8 -27.113 -5.305 0.925
64 HA TYR 8 HA TYR 8 -25.369 -4.655 3.082
65 1HB TYR 8 2HB TYR 8 -25.911 -2.842 1.693
66 2HB TYR 8 1HB TYR 8 -27.630 -3.219 1.722
67 HD1 TYR 8 HD2 TYR 8 -24.851 -1.695 3.587
68 HD2 TYR 8 HD1 TYR 8 -29.037 -2.463 3.528
69 HE1 TYR 8 HE2 TYR 8 -25.171 -0.068 5.402
70 HE2 TYR 8 HE1 TYR 8 -29.366 -0.837 5.343
71 HH TYR 8 HH TYR 8 -26.614 0.820 6.848
72 H GLU 9 H GLU 9 -28.372 -6.159 2.902
73 HA GLU 9 HA GLU 9 -29.529 -7.205 4.603
74 1HB GLU 9 2HB GLU 9 -28.365 -5.343 6.655
75 2HB GLU 9 1HB GLU 9 -29.017 -6.957 6.871
76 1HG GLU 9 2HG GLU 9 -26.816 -7.172 5.090
77 2HG GLU 9 1HG GLU 9 -26.302 -6.183 6.455
78 H ASN 10 H ASN 10 -31.543 -6.808 5.404
79 HA ASN 10 HA ASN 10 -33.529 -5.604 4.887
80 1HB ASN 10 2HB ASN 10 -33.096 -5.968 7.334
81 2HB ASN 10 1HB ASN 10 -32.461 -4.327 7.406
82 1HD2 ASN 10 2HD2 ASN 10 -36.468 -4.980 6.955
83 2HD2 ASN 10 1HD2 ASN 10 -35.320 -6.208 6.555
84 H TYR 11 H TYR 11 -31.794 -4.379 3.174
85 HA TYR 11 HA TYR 11 -31.301 -1.670 3.589
86 1HB TYR 11 2HB TYR 11 -30.351 -3.016 1.731
87 2HB TYR 11 1HB TYR 11 -31.931 -3.002 0.952
88 HD1 TYR 11 HD1 TYR 11 -32.882 -0.834 0.146
89 HD2 TYR 11 HD2 TYR 11 -28.879 -1.162 1.553
90 HE1 TYR 11 HE1 TYR 11 -32.325 1.293 -0.955
91 HE2 TYR 11 HE2 TYR 11 -28.313 0.965 0.456
92 HH TYR 11 HH TYR 11 -29.097 2.387 -1.322
93 HA PRO 12 HA PRO 12 -35.461 0.052 3.902
94 1HB PRO 12 2HB PRO 12 -34.017 2.292 2.526
95 2HB PRO 12 1HB PRO 12 -35.155 2.357 3.878
96 1HG PRO 12 2HG PRO 12 -32.528 2.551 4.290
97 2HG PRO 12 1HG PRO 12 -33.571 1.670 5.419
98 1HD PRO 12 2HD PRO 12 -31.603 0.629 3.464
99 2HD PRO 12 1HD PRO 12 -32.187 -0.093 4.976
100 H VAL 13 H VAL 13 -36.249 -1.458 2.286
101 HA VAL 13 HA VAL 13 -35.912 -1.281 -0.450
102 HB VAL 13 HB VAL 13 -38.611 -1.962 0.649
103 1HG1 VAL 13 2HG1 VAL 13 -37.853 -2.063 -1.827
104 2HG1 VAL 13 1HG1 VAL 13 -37.005 -3.529 -1.330
105 3HG1 VAL 13 3HG1 VAL 13 -38.755 -3.419 -1.148
106 1HG2 VAL 13 1HG2 VAL 13 -36.049 -3.446 1.127
107 2HG2 VAL 13 3HG2 VAL 13 -37.343 -3.062 2.263
108 3HG2 VAL 13 2HG2 VAL 13 -37.589 -4.298 1.029
109 H SER 14 H SER 14 -35.929 0.709 -1.344
110 HA SER 14 HA SER 14 -38.355 1.828 -2.171
111 1HB SER 14 2HB SER 14 -37.808 4.117 -0.884
112 2HB SER 14 1HB SER 14 -38.866 2.883 -0.200
113 HG SER 14 HG SER 14 -37.459 2.552 1.317
114 H LYS 15 H LYS 15 -35.546 3.713 -1.125
115 HA LYS 15 HA LYS 15 -35.152 4.806 -3.717
116 1HB LYS 15 2HB LYS 15 -33.256 4.812 -1.361
117 2HB LYS 15 1HB LYS 15 -33.167 5.865 -2.766
118 1HG LYS 15 2HG LYS 15 -35.620 6.495 -2.002
119 2HG LYS 15 1HG LYS 15 -35.007 5.954 -0.438
120 1HD LYS 15 2HD LYS 15 -34.387 8.147 -0.316
121 2HD LYS 15 1HD LYS 15 -32.962 7.511 -1.140
122 1HE LYS 15 2HE LYS 15 -35.308 8.965 -2.338
123 2HE LYS 15 1HE LYS 15 -33.617 9.461 -2.320
124 1HZ LYS 15 3HZ LYS 15 -34.644 7.069 -3.747
125 2HZ LYS 15 2HZ LYS 15 -34.353 8.565 -4.481
126 3HZ LYS 15 1HZ LYS 15 -33.070 7.688 -3.813
127 H CYS 16 H CYS 16 -34.668 3.347 -5.282
128 HA CYS 16 HA CYS 16 -32.025 2.373 -5.489
129 1HB CYS 16 2HB CYS 16 -33.796 0.675 -4.054
130 2HB CYS 16 1HB CYS 16 -33.510 -0.087 -5.613
131 H GLN 17 H GLN 17 -31.857 3.012 -7.550
132 HA GLN 17 HA GLN 17 -32.730 1.579 -9.696
133 1HB GLN 17 2HB GLN 17 -34.859 3.240 -8.651
134 2HB GLN 17 1HB GLN 17 -34.479 3.720 -10.293
135 1HG GLN 17 2HG GLN 17 -34.942 1.576 -11.140
136 2HG GLN 17 1HG GLN 17 -34.979 0.867 -9.529
137 1HE2 GLN 17 2HE2 GLN 17 -38.278 1.807 -8.831
138 2HE2 GLN 17 1HE2 GLN 17 -36.763 1.292 -8.178
139 H LEU 18 H LEU 18 -30.483 3.125 -8.844
140 HA LEU 18 HA LEU 18 -29.831 4.409 -11.293
141 1HB LEU 18 2HB LEU 18 -30.842 6.029 -9.088
142 2HB LEU 18 1HB LEU 18 -29.254 6.553 -9.615
143 HG LEU 18 HG LEU 18 -31.440 6.113 -11.601
144 1HD1 LEU 18 1HD1 LEU 18 -31.043 8.489 -9.815
145 2HD1 LEU 18 3HD1 LEU 18 -31.830 8.620 -11.388
146 3HD1 LEU 18 2HD1 LEU 18 -32.524 7.588 -10.138
147 1HD2 LEU 18 3HD2 LEU 18 -29.121 6.414 -12.379
148 2HD2 LEU 18 2HD2 LEU 18 -30.190 7.712 -12.912
149 3HD2 LEU 18 1HD2 LEU 18 -29.076 7.981 -11.571
150 H ALA 19 H ALA 19 -27.642 4.728 -11.548
151 HA ALA 19 HA ALA 19 -25.890 3.155 -10.025
152 1HB ALA 19 2HB ALA 19 -25.565 3.844 -12.405
153 2HB ALA 19 1HB ALA 19 -25.113 5.447 -11.820
154 3HB ALA 19 3HB ALA 19 -24.138 4.042 -11.388
155 H ASN 20 H ASN 20 -26.976 4.445 -8.021
156 HA ASN 20 HA ASN 20 -24.784 6.032 -6.966
157 1HB ASN 20 2HB ASN 20 -26.190 7.760 -7.887
158 2HB ASN 20 1HB ASN 20 -27.623 7.058 -7.143
159 1HD2 ASN 20 2HD2 ASN 20 -24.919 8.712 -4.554
160 2HD2 ASN 20 1HD2 ASN 20 -24.392 7.676 -5.831
161 H GLN 21 H GLN 21 -27.562 6.571 -5.211
162 HA GLN 21 HA GLN 21 -27.461 5.939 -2.855
163 1HB GLN 21 2HB GLN 21 -29.347 4.528 -4.682
164 2HB GLN 21 1HB GLN 21 -29.337 4.069 -2.985
165 1HG GLN 21 2HG GLN 21 -30.996 5.851 -3.729
166 2HG GLN 21 1HG GLN 21 -30.040 6.171 -2.283
167 1HE2 GLN 21 2HE2 GLN 21 -28.274 8.869 -3.645
168 2HE2 GLN 21 1HE2 GLN 21 -28.328 7.668 -2.404
169 H CYS 22 H CYS 22 -27.918 2.806 -4.448
170 HA CYS 22 HA CYS 22 -26.629 1.332 -2.451
171 1HB CYS 22 2HB CYS 22 -28.184 0.649 -4.515
172 2HB CYS 22 1HB CYS 22 -26.625 0.264 -5.235
173 H ASN 23 H ASN 23 -25.427 2.164 -5.706
174 HA ASN 23 HA ASN 23 -22.876 1.124 -5.458
175 1HB ASN 23 2HB ASN 23 -24.269 2.677 -7.336
176 2HB ASN 23 1HB ASN 23 -22.844 3.632 -6.945
177 1HD2 ASN 23 2HD2 ASN 23 -20.632 0.928 -8.021
178 2HD2 ASN 23 1HD2 ASN 23 -20.893 1.873 -6.600
179 H TYR 24 H TYR 24 -23.770 4.551 -5.000
180 HA TYR 24 HA TYR 24 -21.372 5.458 -3.977
181 1HB TYR 24 2HB TYR 24 -22.681 7.293 -4.209
182 2HB TYR 24 1HB TYR 24 -24.157 6.366 -3.980
183 HD1 TYR 24 HD1 TYR 24 -21.272 7.106 -1.715
184 HD2 TYR 24 HD2 TYR 24 -25.463 7.412 -2.385
185 HE1 TYR 24 HE1 TYR 24 -21.548 8.108 0.511
186 HE2 TYR 24 HE2 TYR 24 -25.750 8.417 -0.160
187 HH TYR 24 HH TYR 24 -24.501 9.566 1.520
188 H ASP 25 H ASP 25 -24.190 4.319 -2.121
189 HA ASP 25 HA ASP 25 -23.150 4.509 0.419
190 1HB ASP 25 2HB ASP 25 -25.106 2.558 -0.776
191 2HB ASP 25 1HB ASP 25 -24.696 2.532 0.937
192 H CYS 26 H CYS 26 -23.266 1.417 -1.387
193 HA CYS 26 HA CYS 26 -21.649 -0.036 0.280
194 1HB CYS 26 2HB CYS 26 -21.626 -0.168 -2.745
195 2HB CYS 26 1HB CYS 26 -21.072 -1.434 -1.654
196 H LYS 27 H LYS 27 -20.668 2.130 -2.334
197 HA LYS 27 HA LYS 27 -17.917 1.685 -2.210
198 1HB LYS 27 2HB LYS 27 -19.333 3.010 -3.934
199 2HB LYS 27 1HB LYS 27 -19.067 4.380 -2.865
200 1HG LYS 27 2HG LYS 27 -16.804 4.456 -3.304
201 2HG LYS 27 1HG LYS 27 -16.737 2.768 -3.810
202 1HD LYS 27 2HD LYS 27 -16.492 4.276 -5.718
203 2HD LYS 27 1HD LYS 27 -17.967 3.316 -5.844
204 1HE LYS 27 2HE LYS 27 -19.337 5.123 -5.405
205 2HE LYS 27 1HE LYS 27 -18.064 6.019 -4.577
206 1HZ LYS 27 1HZ LYS 27 -16.963 6.126 -6.853
207 2HZ LYS 27 3HZ LYS 27 -18.460 5.655 -7.484
208 3HZ LYS 27 2HZ LYS 27 -18.326 7.098 -6.610
209 H LEU 28 H LEU 28 -19.604 2.513 0.386
210 HA LEU 28 HA LEU 28 -17.328 3.659 1.703
211 1HB LEU 28 2HB LEU 28 -18.371 5.618 0.540
212 2HB LEU 28 1HB LEU 28 -19.802 5.370 1.521
213 HG LEU 28 HG LEU 28 -18.088 5.580 3.515
214 1HD1 LEU 28 2HD1 LEU 28 -16.168 5.691 1.866
215 2HD1 LEU 28 1HD1 LEU 28 -16.736 7.313 1.468
216 3HD1 LEU 28 3HD1 LEU 28 -16.212 6.941 3.110
217 1HD2 LEU 28 1HD2 LEU 28 -19.986 7.066 3.121
218 2HD2 LEU 28 3HD2 LEU 28 -18.557 7.975 3.613
219 3HD2 LEU 28 2HD2 LEU 28 -19.048 7.954 1.920
220 H ASP 29 H ASP 29 -20.760 2.866 1.828
221 HA ASP 29 HA ASP 29 -20.955 2.850 4.664
222 1HB ASP 29 2HB ASP 29 -22.666 1.595 2.513
223 2HB ASP 29 1HB ASP 29 -23.074 1.551 4.227
224 H LYS 30 H LYS 30 -19.721 0.638 2.359
225 HA LYS 30 HA LYS 30 -19.221 -1.314 4.491
226 1HB LYS 30 2HB LYS 30 -20.996 -1.725 2.313
227 2HB LYS 30 1HB LYS 30 -19.578 -2.711 1.994
228 1HG LYS 30 2HG LYS 30 -21.021 -4.108 3.174
229 2HG LYS 30 1HG LYS 30 -19.851 -3.571 4.381
230 1HD LYS 30 2HD LYS 30 -21.459 -1.839 5.111
231 2HD LYS 30 1HD LYS 30 -22.631 -2.479 3.958
232 1HE LYS 30 2HE LYS 30 -23.157 -3.406 6.086
233 2HE LYS 30 1HE LYS 30 -22.428 -4.691 5.123
234 1HZ LYS 30 2HZ LYS 30 -20.489 -3.224 6.627
235 2HZ LYS 30 1HZ LYS 30 -21.661 -3.921 7.625
236 3HZ LYS 30 3HZ LYS 30 -20.766 -4.891 6.565
237 H HIS 31 H HIS 31 -17.924 0.787 2.475
238 HA HIS 31 HA HIS 31 -15.873 1.123 1.569
239 1HB HIS 31 2HB HIS 31 -14.678 -1.300 2.799
240 2HB HIS 31 1HB HIS 31 -14.114 0.368 2.811
241 HD1 HIS 31 HD1 HIS 31 -15.940 -2.110 4.817
242 HD2 HIS 31 HD2 HIS 31 -15.373 2.007 4.823
243 HE1 HIS 31 HE1 HIS 31 -16.697 -1.331 7.084
244 HE2 HIS 31 HE2 HIS 31 -16.416 1.173 7.038
245 H ALA 32 H ALA 32 -17.798 -0.529 0.178
246 HA ALA 32 HA ALA 32 -16.262 -2.604 -1.141
247 1HB ALA 32 1HB ALA 32 -18.888 -2.417 -0.583
248 2HB ALA 32 3HB ALA 32 -18.894 -1.814 -2.240
249 3HB ALA 32 2HB ALA 32 -18.245 -3.415 -1.885
250 H ARG 33 H ARG 33 -16.810 -2.571 -3.704
251 HA ARG 33 HA ARG 33 -15.555 -0.100 -4.667
252 1HB ARG 33 2HB ARG 33 -15.657 -2.920 -5.658
253 2HB ARG 33 1HB ARG 33 -15.386 -1.624 -6.815
254 1HG ARG 33 2HG ARG 33 -13.710 -2.129 -4.365
255 2HG ARG 33 1HG ARG 33 -13.301 -2.640 -6.003
256 1HD ARG 33 2HD ARG 33 -13.711 -0.059 -6.492
257 2HD ARG 33 1HD ARG 33 -13.276 0.070 -4.789
258 HE ARG 33 HE ARG 33 -11.149 -0.914 -5.320
259 1HH1 ARG 33 1HH2 ARG 33 -13.070 0.038 -8.075
260 2HH1 ARG 33 2HH2 ARG 33 -11.713 0.120 -9.146
261 1HH2 ARG 33 1HH1 ARG 33 -9.613 -0.361 -8.385
262 2HH2 ARG 33 2HH1 ARG 33 -9.369 -0.807 -6.729
263 H SER 34 H SER 34 -18.497 -1.904 -4.797
264 HA SER 34 HA SER 34 -19.940 0.202 -5.968
265 1HB SER 34 2HB SER 34 -20.557 -1.271 -8.084
266 2HB SER 34 1HB SER 34 -19.156 -0.201 -8.104
267 HG SER 34 HG SER 34 -17.828 -1.903 -7.908
268 H GLY 35 H GLY 35 -22.053 -1.178 -7.159
269 1HA GLY 35 2HA GLY 35 -22.915 -3.465 -5.764
270 2HA GLY 35 1HA GLY 35 -23.504 -2.042 -4.916
271 H GLU 36 H GLU 36 -25.533 -3.364 -5.619
272 HA GLU 36 HA GLU 36 -26.904 -1.842 -7.543
273 1HB GLU 36 2HB GLU 36 -25.338 -3.479 -8.899
274 2HB GLU 36 1HB GLU 36 -26.611 -4.639 -8.550
275 1HG GLU 36 2HG GLU 36 -27.144 -3.756 -10.647
276 2HG GLU 36 1HG GLU 36 -28.225 -2.939 -9.519
277 H CYS 37 H CYS 37 -29.107 -2.242 -7.557
278 HA CYS 37 HA CYS 37 -30.057 -3.934 -5.393
279 1HB CYS 37 2HB CYS 37 -30.883 -1.472 -6.599
280 2HB CYS 37 1HB CYS 37 -32.218 -2.611 -6.701
281 H PHE 38 H PHE 38 -30.293 -6.030 -5.933
282 HA PHE 38 HA PHE 38 -31.368 -6.715 -8.579
283 1HB PHE 38 2HB PHE 38 -29.794 -8.218 -6.519
284 2HB PHE 38 1HB PHE 38 -30.706 -9.093 -7.746
285 HD1 PHE 38 HD1 PHE 38 -30.188 -8.697 -10.159
286 HD2 PHE 38 HD2 PHE 38 -27.734 -7.202 -7.021
287 HE1 PHE 38 HE1 PHE 38 -28.345 -8.379 -11.757
288 HE2 PHE 38 HE2 PHE 38 -25.886 -6.882 -8.612
289 HZ PHE 38 HZ PHE 38 -26.190 -7.471 -10.985
290 H TYR 39 H TYR 39 -33.386 -7.341 -8.858
291 HA TYR 39 HA TYR 39 -35.208 -7.587 -6.662
292 1HB TYR 39 2HB TYR 39 -35.496 -7.960 -9.637
293 2HB TYR 39 1HB TYR 39 -36.831 -8.211 -8.520
294 HD1 TYR 39 HD1 TYR 39 -37.616 -6.241 -7.099
295 HD2 TYR 39 HD2 TYR 39 -34.904 -5.812 -10.361
296 HE1 TYR 39 HE1 TYR 39 -38.147 -3.838 -7.232
297 HE2 TYR 39 HE2 TYR 39 -35.419 -3.411 -10.482
298 HH TYR 39 HH TYR 39 -36.298 -1.639 -9.082
299 H ASP 40 H ASP 40 -36.837 -9.491 -6.772
300 HA ASP 40 HA ASP 40 -35.964 -12.042 -7.596
301 1HB ASP 40 2HB ASP 40 -35.584 -12.980 -5.266
302 2HB ASP 40 1HB ASP 40 -34.293 -11.964 -5.901
303 H GLU 41 H GLU 41 -37.384 -13.726 -6.966
304 HA GLU 41 HA GLU 41 -39.686 -14.195 -7.195
305 1HB GLU 41 2HB GLU 41 -40.326 -14.447 -4.580
306 2HB GLU 41 1HB GLU 41 -39.269 -15.560 -5.437
307 1HG GLU 41 2HG GLU 41 -37.325 -14.528 -4.568
308 2HG GLU 41 1HG GLU 41 -38.251 -13.167 -3.934
309 H LYS 42 H LYS 42 -39.708 -12.079 -4.322
310 HA LYS 42 HA LYS 42 -42.180 -10.875 -5.335
311 1HB LYS 42 2HB LYS 42 -42.249 -11.839 -3.092
312 2HB LYS 42 1HB LYS 42 -40.928 -10.796 -2.585
313 1HG LYS 42 2HG LYS 42 -42.378 -9.196 -2.023
314 2HG LYS 42 1HG LYS 42 -42.986 -9.144 -3.675
315 1HD LYS 42 2HD LYS 42 -43.932 -11.224 -1.722
316 2HD LYS 42 1HD LYS 42 -44.653 -9.616 -1.781
317 1HE LYS 42 2HE LYS 42 -46.001 -10.973 -3.160
318 2HE LYS 42 1HE LYS 42 -45.012 -10.010 -4.255
319 1HZ LYS 42 1HZ LYS 42 -43.924 -12.592 -3.481
320 2HZ LYS 42 3HZ LYS 42 -45.294 -12.636 -4.473
321 3HZ LYS 42 2HZ LYS 42 -43.906 -11.815 -4.983
322 H ARG 43 H ARG 43 -39.969 -10.017 -6.683
323 HA ARG 43 HA ARG 43 -38.468 -8.274 -6.960
324 1HB ARG 43 2HB ARG 43 -39.811 -6.288 -7.664
325 2HB ARG 43 1HB ARG 43 -40.331 -7.802 -8.380
326 1HG ARG 43 2HG ARG 43 -41.663 -6.870 -5.885
327 2HG ARG 43 1HG ARG 43 -42.056 -6.065 -7.403
328 1HD ARG 43 2HD ARG 43 -42.566 -8.887 -6.558
329 2HD ARG 43 1HD ARG 43 -43.667 -7.720 -7.276
330 HE ARG 43 HE ARG 43 -41.520 -9.065 -8.784
331 1HH1 ARG 43 1HH2 ARG 43 -44.785 -7.834 -8.557
332 2HH1 ARG 43 2HH2 ARG 43 -45.203 -8.312 -10.166
333 1HH2 ARG 43 2HH1 ARG 43 -42.079 -9.696 -10.893
334 2HH2 ARG 43 1HH1 ARG 43 -43.668 -9.358 -11.494
335 H ASN 44 H ASN 44 -37.748 -8.470 -4.572
336 HA ASN 44 HA ASN 44 -38.594 -6.149 -3.011
337 1HB ASN 44 2HB ASN 44 -37.400 -8.773 -2.363
338 2HB ASN 44 1HB ASN 44 -36.858 -7.433 -1.360
339 1HD2 ASN 44 2HD2 ASN 44 -40.894 -7.667 -1.297
340 2HD2 ASN 44 1HD2 ASN 44 -40.016 -7.344 -2.750
341 H LEU 45 H LEU 45 -36.258 -6.778 -5.223
342 HA LEU 45 HA LEU 45 -34.106 -6.030 -5.582
343 1HB LEU 45 2HB LEU 45 -33.980 -3.576 -5.636
344 2HB LEU 45 1HB LEU 45 -35.366 -4.233 -6.467
345 HG LEU 45 HG LEU 45 -35.502 -3.038 -3.695
346 1HD1 LEU 45 3HD1 LEU 45 -35.059 -1.657 -6.131
347 2HD1 LEU 45 2HD1 LEU 45 -36.736 -1.375 -5.674
348 3HD1 LEU 45 1HD1 LEU 45 -35.440 -0.986 -4.545
349 1HD2 LEU 45 1HD2 LEU 45 -37.374 -4.532 -5.236
350 2HD2 LEU 45 3HD2 LEU 45 -37.605 -3.758 -3.671
351 3HD2 LEU 45 2HD2 LEU 45 -37.948 -2.870 -5.152
352 H GLN 46 H GLN 46 -32.745 -6.945 -4.149
353 HA GLN 46 HA GLN 46 -32.324 -5.626 -1.573
354 1HB GLN 46 2HB GLN 46 -31.534 -8.274 -2.732
355 2HB GLN 46 1HB GLN 46 -30.598 -7.609 -1.399
356 1HG GLN 46 2HG GLN 46 -32.150 -8.963 -0.345
357 2HG GLN 46 1HG GLN 46 -32.863 -7.355 -0.208
358 1HE2 GLN 46 2HE2 GLN 46 -35.441 -9.797 -1.282
359 2HE2 GLN 46 1HE2 GLN 46 -34.340 -9.685 0.045
360 H CYS 47 H CYS 47 -30.497 -4.511 -1.064
361 HA CYS 47 HA CYS 47 -28.922 -3.536 -3.248
362 1HB CYS 47 2HB CYS 47 -29.594 -2.667 -0.633
363 2HB CYS 47 1HB CYS 47 -27.838 -2.724 -0.714
364 H ILE 48 H ILE 48 -27.574 -5.037 -4.094
365 HA ILE 48 HA ILE 48 -25.870 -6.638 -2.375
366 HB ILE 48 HB ILE 48 -25.934 -6.505 -5.392
367 1HG1 ILE 48 2HG1 ILE 48 -27.398 -8.206 -3.385
368 2HG1 ILE 48 1HG1 ILE 48 -28.050 -7.323 -4.762
369 1HG2 ILE 48 3HG2 ILE 48 -23.816 -7.347 -4.432
370 2HG2 ILE 48 2HG2 ILE 48 -24.727 -8.588 -3.571
371 3HG2 ILE 48 1HG2 ILE 48 -24.695 -8.581 -5.334
372 1HD1 ILE 48 1HD1 ILE 48 -26.555 -8.996 -6.123
373 2HD1 ILE 48 3HD1 ILE 48 -26.710 -9.969 -4.661
374 3HD1 ILE 48 2HD1 ILE 48 -28.153 -9.461 -5.539
375 H CYS 49 H CYS 49 -24.068 -5.810 -1.580
376 HA CYS 49 HA CYS 49 -22.756 -3.589 -2.932
377 1HB CYS 49 2HB CYS 49 -22.404 -4.864 -0.220
378 2HB CYS 49 1HB CYS 49 -21.288 -3.651 -0.837
379 H ASP 50 H ASP 50 -21.207 -3.958 -4.352
380 HA ASP 50 HA ASP 50 -19.784 -6.502 -4.324
381 1HB ASP 50 2HB ASP 50 -20.887 -5.457 -6.417
382 2HB ASP 50 1HB ASP 50 -19.485 -4.389 -6.442
383 H TYR 51 H TYR 51 -17.767 -6.717 -3.673
384 HA TYR 51 HA TYR 51 -16.280 -4.330 -2.880
385 1HB TYR 51 2HB TYR 51 -16.115 -7.238 -2.158
386 2HB TYR 51 1HB TYR 51 -14.809 -6.125 -1.756
387 HD1 TYR 51 HD2 TYR 51 -18.461 -6.661 -1.332
388 HD2 TYR 51 HD1 TYR 51 -14.935 -4.849 0.209
389 HE1 TYR 51 HE2 TYR 51 -19.691 -6.012 0.692
390 HE2 TYR 51 HE1 TYR 51 -16.154 -4.194 2.243
391 HH TYR 51 HH TYR 51 -19.560 -5.086 2.713
392 H CYS 52 H CYS 52 -16.494 -6.025 -5.621
393 HA CYS 52 HA CYS 52 -13.705 -5.470 -6.333
394 1HB CYS 52 2HB CYS 52 -15.123 -8.088 -6.869
395 2HB CYS 52 1HB CYS 52 -13.641 -7.597 -7.671
396 H GLU 53 H GLU 53 -16.356 -7.105 -8.031
397 HA GLU 53 HA GLU 53 -17.326 -6.694 -10.049
398 1HB GLU 53 2HB GLU 53 -17.957 -4.667 -8.343
399 2HB GLU 53 1HB GLU 53 -17.283 -3.760 -9.688
400 1HG GLU 53 2HG GLU 53 -19.497 -5.784 -9.922
401 2HG GLU 53 1HG GLU 53 -19.729 -4.040 -9.807
402 H TYR 54 HN TYR 54 -14.283 -6.323 -9.701
403 HA TYR 54 HA TYR 54 -13.488 -6.120 -12.297
404 1HB TYR 54 2HB TYR 54 -14.251 -3.514 -11.340
405 2HB TYR 54 1HB TYR 54 -12.520 -3.520 -11.607
406 HD1 TYR 54 HD1 TYR 54 -15.076 -5.391 -13.615
407 HD2 TYR 54 HD2 TYR 54 -12.336 -2.131 -13.455
408 HE1 TYR 54 HE1 TYR 54 -15.418 -4.991 -16.008
409 HE2 TYR 54 HE2 TYR 54 -12.679 -1.728 -15.854
410 HH TYR 54 HH TYR 54 -14.627 -3.900 -17.824
No H/Q in entry = 410
Start of MODEL 7
1 HN PCA 1 HN PCA 1 -18.025 -14.878 -8.595
2 HA PCA 1 HA PCA 1 -16.175 -16.643 -8.847
3 1HB PCA 1 1HB PCA 1 -14.281 -15.964 -9.888
4 2HB PCA 1 2HB PCA 1 -14.022 -14.677 -8.688
5 1HG PCA 1 1HG PCA 1 -15.219 -14.501 -11.353
6 2HG PCA 1 2HG PCA 1 -14.781 -13.186 -10.246
7 H ASP 2 H ASP 2 -16.090 -17.473 -6.864
8 HA ASP 2 HA ASP 2 -15.966 -17.663 -4.597
9 1HB ASP 2 2HB ASP 2 -13.596 -17.100 -5.155
10 2HB ASP 2 1HB ASP 2 -13.966 -15.408 -4.840
11 H LYS 3 H LYS 3 -18.087 -16.097 -5.481
12 HA LYS 3 HA LYS 3 -19.541 -14.423 -4.907
13 1HB LYS 3 2HB LYS 3 -18.597 -15.463 -2.235
14 2HB LYS 3 1HB LYS 3 -19.952 -14.357 -2.410
15 1HG LYS 3 2HG LYS 3 -20.835 -16.164 -4.077
16 2HG LYS 3 1HG LYS 3 -19.721 -17.221 -3.209
17 1HD LYS 3 2HD LYS 3 -20.844 -16.850 -1.147
18 2HD LYS 3 1HD LYS 3 -21.796 -15.527 -1.825
19 1HE LYS 3 2HE LYS 3 -22.819 -17.936 -1.532
20 2HE LYS 3 1HE LYS 3 -23.225 -16.932 -2.922
21 1HZ LYS 3 3HZ LYS 3 -21.065 -18.199 -3.827
22 2HZ LYS 3 2HZ LYS 3 -21.692 -19.388 -2.798
23 3HZ LYS 3 1HZ LYS 3 -22.644 -18.765 -4.050
24 H CYS 4 H CYS 4 -18.988 -12.454 -5.503
25 HA CYS 4 HA CYS 4 -17.179 -10.907 -3.760
26 1HB CYS 4 2HB CYS 4 -17.087 -11.432 -6.561
27 2HB CYS 4 1HB CYS 4 -17.395 -9.710 -6.352
28 H LYS 5 H LYS 5 -20.204 -11.321 -3.828
29 HA LYS 5 HA LYS 5 -20.870 -8.497 -3.539
30 1HB LYS 5 2HB LYS 5 -23.037 -8.903 -4.792
31 2HB LYS 5 1HB LYS 5 -21.580 -8.809 -5.770
32 1HG LYS 5 2HG LYS 5 -22.344 -10.694 -6.720
33 2HG LYS 5 1HG LYS 5 -21.721 -11.486 -5.274
34 1HD LYS 5 2HD LYS 5 -24.061 -10.924 -4.283
35 2HD LYS 5 1HD LYS 5 -24.536 -10.759 -5.975
36 1HE LYS 5 2HE LYS 5 -23.324 -13.081 -6.199
37 2HE LYS 5 1HE LYS 5 -23.661 -13.177 -4.471
38 1HZ LYS 5 2HZ LYS 5 -26.037 -12.559 -5.165
39 2HZ LYS 5 1HZ LYS 5 -25.568 -13.037 -6.717
40 3HZ LYS 5 3HZ LYS 5 -25.511 -14.143 -5.437
41 H LYS 6 H LYS 6 -22.392 -8.085 -1.984
42 HA LYS 6 HA LYS 6 -23.858 -10.323 -0.803
43 1HB LYS 6 2HB LYS 6 -22.400 -8.454 1.037
44 2HB LYS 6 1HB LYS 6 -23.053 -10.050 1.370
45 1HG LYS 6 2HG LYS 6 -20.729 -9.639 -0.483
46 2HG LYS 6 1HG LYS 6 -20.528 -9.812 1.260
47 1HD LYS 6 2HD LYS 6 -22.180 -11.834 -0.158
48 2HD LYS 6 1HD LYS 6 -20.431 -11.896 -0.374
49 1HE LYS 6 2HE LYS 6 -21.443 -13.279 1.525
50 2HE LYS 6 1HE LYS 6 -20.044 -12.274 1.898
51 1HZ LYS 6 3HZ LYS 6 -22.860 -11.477 2.400
52 2HZ LYS 6 2HZ LYS 6 -21.830 -12.132 3.571
53 3HZ LYS 6 1HZ LYS 6 -21.470 -10.635 2.872
54 H VAL 7 H VAL 7 -25.846 -9.766 -0.109
55 HA VAL 7 HA VAL 7 -26.943 -7.270 -0.780
56 HB VAL 7 HB VAL 7 -28.973 -8.003 0.141
57 1HG1 VAL 7 3HG1 VAL 7 -27.357 -10.365 -0.781
58 2HG1 VAL 7 2HG1 VAL 7 -29.093 -10.448 -0.481
59 3HG1 VAL 7 1HG1 VAL 7 -28.463 -9.363 -1.721
60 1HG2 VAL 7 3HG2 VAL 7 -27.302 -9.726 1.953
61 2HG2 VAL 7 2HG2 VAL 7 -28.437 -8.448 2.392
62 3HG2 VAL 7 1HG2 VAL 7 -29.034 -9.977 1.744
63 H TYR 8 H TYR 8 -27.124 -5.405 0.297
64 HA TYR 8 HA TYR 8 -25.624 -4.951 2.650
65 1HB TYR 8 2HB TYR 8 -25.761 -3.037 1.376
66 2HB TYR 8 1HB TYR 8 -27.433 -3.338 0.914
67 HD1 TYR 8 HD2 TYR 8 -29.209 -3.053 2.791
68 HD2 TYR 8 HD1 TYR 8 -25.283 -1.427 2.985
69 HE1 TYR 8 HE2 TYR 8 -29.972 -1.428 4.470
70 HE2 TYR 8 HE1 TYR 8 -26.035 0.203 4.666
71 HH TYR 8 HH TYR 8 -29.050 -0.040 6.242
72 H GLU 9 H GLU 9 -28.482 -6.471 2.263
73 HA GLU 9 HA GLU 9 -29.826 -7.412 3.882
74 1HB GLU 9 2HB GLU 9 -29.087 -5.185 5.784
75 2HB GLU 9 1HB GLU 9 -29.892 -6.694 6.159
76 1HG GLU 9 2HG GLU 9 -27.973 -7.871 6.242
77 2HG GLU 9 1HG GLU 9 -27.231 -6.970 4.926
78 H ASN 10 H ASN 10 -30.828 -4.905 5.698
79 HA ASN 10 HA ASN 10 -33.340 -4.675 4.567
80 1HB ASN 10 2HB ASN 10 -31.853 -2.673 6.278
81 2HB ASN 10 1HB ASN 10 -33.582 -2.618 5.947
82 1HD2 ASN 10 2HD2 ASN 10 -34.426 -4.906 8.390
83 2HD2 ASN 10 1HD2 ASN 10 -34.919 -3.782 7.173
84 H TYR 11 H TYR 11 -32.652 -1.503 4.837
85 HA TYR 11 HA TYR 11 -31.856 0.140 3.354
86 1HB TYR 11 2HB TYR 11 -30.867 -1.724 1.883
87 2HB TYR 11 1HB TYR 11 -32.407 -1.697 1.025
88 HD1 TYR 11 HD2 TYR 11 -29.315 0.140 1.722
89 HD2 TYR 11 HD1 TYR 11 -33.010 0.170 -0.383
90 HE1 TYR 11 HE2 TYR 11 -28.499 1.996 0.329
91 HE2 TYR 11 HE1 TYR 11 -32.207 2.023 -1.783
92 HH TYR 11 HH TYR 11 -29.495 3.855 -1.039
93 HA PRO 12 HA PRO 12 -36.098 1.363 2.766
94 1HB PRO 12 2HB PRO 12 -35.749 3.855 1.807
95 2HB PRO 12 1HB PRO 12 -35.408 3.442 3.492
96 1HG PRO 12 2HG PRO 12 -33.512 3.734 1.193
97 2HG PRO 12 1HG PRO 12 -33.350 4.325 2.857
98 1HD PRO 12 2HD PRO 12 -32.143 2.056 1.957
99 2HD PRO 12 1HD PRO 12 -32.638 2.286 3.643
100 H VAL 13 H VAL 13 -36.397 -0.241 1.072
101 HA VAL 13 HA VAL 13 -35.774 0.023 -1.599
102 HB VAL 13 HB VAL 13 -38.428 -1.090 -0.732
103 1HG1 VAL 13 1HG1 VAL 13 -37.474 -0.960 -3.167
104 2HG1 VAL 13 3HG1 VAL 13 -36.540 -2.364 -2.654
105 3HG1 VAL 13 2HG1 VAL 13 -38.302 -2.412 -2.606
106 1HG2 VAL 13 1HG2 VAL 13 -35.697 -2.101 -0.090
107 2HG2 VAL 13 3HG2 VAL 13 -37.163 -2.117 0.890
108 3HG2 VAL 13 2HG2 VAL 13 -36.981 -3.256 -0.445
109 H SER 14 H SER 14 -36.069 1.825 -2.721
110 HA SER 14 HA SER 14 -38.645 2.646 -3.527
111 1HB SER 14 2HB SER 14 -38.362 5.045 -2.563
112 2HB SER 14 1HB SER 14 -38.988 3.777 -1.509
113 HG SER 14 HG SER 14 -37.408 4.389 -0.261
114 H LYS 15 H LYS 15 -35.880 4.778 -2.891
115 HA LYS 15 HA LYS 15 -35.798 5.718 -5.559
116 1HB LYS 15 2HB LYS 15 -33.772 5.909 -3.323
117 2HB LYS 15 1HB LYS 15 -33.608 6.734 -4.868
118 1HG LYS 15 2HG LYS 15 -36.109 7.508 -4.110
119 2HG LYS 15 1HG LYS 15 -35.293 7.385 -2.553
120 1HD LYS 15 2HD LYS 15 -35.014 9.622 -3.325
121 2HD LYS 15 1HD LYS 15 -33.458 8.810 -3.503
122 1HE LYS 15 2HE LYS 15 -33.560 8.822 -5.789
123 2HE LYS 15 1HE LYS 15 -35.323 8.779 -5.821
124 1HZ LYS 15 2HZ LYS 15 -33.756 11.153 -4.977
125 2HZ LYS 15 1HZ LYS 15 -34.316 10.917 -6.555
126 3HZ LYS 15 3HZ LYS 15 -35.417 11.076 -5.280
127 H CYS 16 H CYS 16 -34.538 2.927 -4.075
128 HA CYS 16 HA CYS 16 -32.252 2.481 -5.667
129 1HB CYS 16 2HB CYS 16 -33.687 1.113 -3.609
130 2HB CYS 16 1HB CYS 16 -33.418 -0.023 -4.924
131 H GLN 17 H GLN 17 -32.922 3.049 -7.784
132 HA GLN 17 HA GLN 17 -34.385 0.891 -9.155
133 1HB GLN 17 2HB GLN 17 -34.735 3.863 -9.574
134 2HB GLN 17 1HB GLN 17 -35.369 2.635 -10.661
135 1HG GLN 17 2HG GLN 17 -36.066 2.718 -7.744
136 2HG GLN 17 1HG GLN 17 -36.974 3.607 -8.966
137 1HE2 GLN 17 2HE2 GLN 17 -37.470 -0.369 -8.466
138 2HE2 GLN 17 1HE2 GLN 17 -36.311 0.541 -7.563
139 H LEU 18 H LEU 18 -31.640 2.830 -8.958
140 HA LEU 18 HA LEU 18 -30.427 1.596 -11.219
141 1HB LEU 18 2HB LEU 18 -31.618 4.249 -11.505
142 2HB LEU 18 1HB LEU 18 -29.920 4.225 -11.943
143 HG LEU 18 HG LEU 18 -31.903 2.280 -13.073
144 1HD1 LEU 18 3HD1 LEU 18 -31.195 5.046 -13.970
145 2HD1 LEU 18 2HD1 LEU 18 -31.723 3.816 -15.118
146 3HD1 LEU 18 1HD1 LEU 18 -32.787 4.308 -13.799
147 1HD2 LEU 18 1HD2 LEU 18 -29.096 3.094 -13.752
148 2HD2 LEU 18 3HD2 LEU 18 -29.719 1.483 -13.390
149 3HD2 LEU 18 2HD2 LEU 18 -30.140 2.271 -14.910
150 H ALA 19 H ALA 19 -28.164 2.425 -11.548
151 HA ALA 19 HA ALA 19 -26.727 2.358 -9.165
152 1HB ALA 19 2HB ALA 19 -25.974 3.188 -11.948
153 2HB ALA 19 1HB ALA 19 -24.810 3.197 -10.625
154 3HB ALA 19 3HB ALA 19 -25.590 1.689 -11.102
155 H ASN 20 H ASN 20 -25.900 3.828 -7.819
156 HA ASN 20 HA ASN 20 -25.088 6.309 -7.952
157 1HB ASN 20 2HB ASN 20 -26.835 7.329 -9.100
158 2HB ASN 20 1HB ASN 20 -28.069 6.393 -8.263
159 1HD2 ASN 20 2HD2 ASN 20 -26.356 9.430 -6.122
160 2HD2 ASN 20 1HD2 ASN 20 -25.380 8.356 -7.059
161 H GLN 21 H GLN 21 -28.042 6.299 -6.134
162 HA GLN 21 HA GLN 21 -26.886 6.754 -3.680
163 1HB GLN 21 2HB GLN 21 -29.511 6.188 -4.678
164 2HB GLN 21 1HB GLN 21 -29.269 5.239 -3.219
165 1HG GLN 21 2HG GLN 21 -29.053 8.224 -3.517
166 2HG GLN 21 1HG GLN 21 -30.267 7.315 -2.616
167 1HE2 GLN 21 2HE2 GLN 21 -26.939 8.503 -0.820
168 2HE2 GLN 21 1HE2 GLN 21 -27.492 9.070 -2.354
169 H CYS 22 H CYS 22 -28.069 3.620 -4.904
170 HA CYS 22 HA CYS 22 -27.167 2.070 -2.758
171 1HB CYS 22 2HB CYS 22 -28.755 1.423 -4.664
172 2HB CYS 22 1HB CYS 22 -27.305 1.074 -5.597
173 H ASN 23 H ASN 23 -25.639 2.575 -5.936
174 HA ASN 23 HA ASN 23 -23.322 1.127 -5.541
175 1HB ASN 23 2HB ASN 23 -23.965 2.121 -7.697
176 2HB ASN 23 1HB ASN 23 -23.625 3.727 -7.062
177 1HD2 ASN 23 2HD2 ASN 23 -20.064 3.164 -7.002
178 2HD2 ASN 23 1HD2 ASN 23 -21.325 3.779 -5.994
179 H TYR 24 H TYR 24 -23.461 4.686 -5.282
180 HA TYR 24 HA TYR 24 -21.036 5.057 -4.022
181 1HB TYR 24 2HB TYR 24 -21.764 7.162 -4.385
182 2HB TYR 24 1HB TYR 24 -23.437 6.629 -4.469
183 HD1 TYR 24 HD2 TYR 24 -20.904 6.835 -1.731
184 HD2 TYR 24 HD1 TYR 24 -24.791 7.888 -3.102
185 HE1 TYR 24 HE2 TYR 24 -21.354 7.928 0.417
186 HE2 TYR 24 HE1 TYR 24 -25.253 8.987 -0.950
187 HH TYR 24 HH TYR 24 -22.903 8.904 1.704
188 H ASP 25 H ASP 25 -24.211 4.474 -2.524
189 HA ASP 25 HA ASP 25 -23.540 4.694 0.131
190 1HB ASP 25 2HB ASP 25 -25.471 2.897 -1.304
191 2HB ASP 25 1HB ASP 25 -25.265 2.771 0.440
192 H CYS 26 H CYS 26 -23.509 1.606 -1.685
193 HA CYS 26 HA CYS 26 -22.235 0.130 0.303
194 1HB CYS 26 2HB CYS 26 -22.080 -0.175 -2.707
195 2HB CYS 26 1HB CYS 26 -21.459 -1.361 -1.567
196 H LYS 27 H LYS 27 -20.906 2.081 -2.311
197 HA LYS 27 HA LYS 27 -18.200 1.503 -1.946
198 1HB LYS 27 2HB LYS 27 -19.329 2.738 -3.872
199 2HB LYS 27 1HB LYS 27 -19.247 4.174 -2.858
200 1HG LYS 27 2HG LYS 27 -16.967 4.331 -3.021
201 2HG LYS 27 1HG LYS 27 -16.760 2.607 -3.329
202 1HD LYS 27 2HD LYS 27 -17.678 2.881 -5.569
203 2HD LYS 27 1HD LYS 27 -17.943 4.598 -5.263
204 1HE LYS 27 2HE LYS 27 -15.281 3.181 -5.324
205 2HE LYS 27 1HE LYS 27 -15.919 4.258 -6.566
206 1HZ LYS 27 1HZ LYS 27 -15.967 5.548 -4.055
207 2HZ LYS 27 3HZ LYS 27 -14.412 4.950 -4.349
208 3HZ LYS 27 2HZ LYS 27 -15.142 5.995 -5.461
209 H LEU 28 H LEU 28 -20.041 2.606 0.462
210 HA LEU 28 HA LEU 28 -17.792 3.697 1.874
211 1HB LEU 28 2HB LEU 28 -18.720 5.605 0.450
212 2HB LEU 28 1HB LEU 28 -20.112 5.568 1.516
213 HG LEU 28 HG LEU 28 -18.023 5.702 3.305
214 1HD1 LEU 28 3HD1 LEU 28 -17.318 7.411 0.926
215 2HD1 LEU 28 2HD1 LEU 28 -16.588 7.543 2.526
216 3HD1 LEU 28 1HD1 LEU 28 -16.375 6.071 1.579
217 1HD2 LEU 28 2HD2 LEU 28 -20.129 6.978 3.363
218 2HD2 LEU 28 1HD2 LEU 28 -18.720 7.987 3.687
219 3HD2 LEU 28 3HD2 LEU 28 -19.499 8.043 2.106
220 H ASP 29 H ASP 29 -21.072 2.640 1.770
221 HA ASP 29 HA ASP 29 -21.765 3.170 4.466
222 1HB ASP 29 2HB ASP 29 -22.844 1.349 2.337
223 2HB ASP 29 1HB ASP 29 -23.440 1.225 3.989
224 H LYS 30 H LYS 30 -21.041 0.033 2.927
225 HA LYS 30 HA LYS 30 -20.137 -0.967 5.536
226 1HB LYS 30 2HB LYS 30 -20.857 -2.449 3.001
227 2HB LYS 30 1HB LYS 30 -20.326 -3.207 4.497
228 1HG LYS 30 2HG LYS 30 -22.353 -1.854 5.503
229 2HG LYS 30 1HG LYS 30 -22.922 -1.922 3.834
230 1HD LYS 30 2HD LYS 30 -22.763 -4.342 3.848
231 2HD LYS 30 1HD LYS 30 -22.093 -4.310 5.482
232 1HE LYS 30 2HE LYS 30 -24.822 -4.423 4.721
233 2HE LYS 30 1HE LYS 30 -24.156 -4.308 6.350
234 1HZ LYS 30 1HZ LYS 30 -24.131 -1.889 6.106
235 2HZ LYS 30 3HZ LYS 30 -24.836 -2.028 4.574
236 3HZ LYS 30 2HZ LYS 30 -25.692 -2.519 5.948
237 H HIS 31 H HIS 31 -18.721 0.685 3.293
238 HA HIS 31 HA HIS 31 -16.557 0.960 2.636
239 1HB HIS 31 2HB HIS 31 -15.776 -1.479 4.213
240 2HB HIS 31 1HB HIS 31 -14.822 -0.041 3.865
241 HD1 HIS 31 HD1 HIS 31 -15.368 -1.218 6.754
242 HD2 HIS 31 HD2 HIS 31 -17.346 1.988 5.000
243 HE1 HIS 31 HE1 HIS 31 -16.277 0.138 8.666
244 HE2 HIS 31 HE2 HIS 31 -17.414 2.108 7.584
245 H ALA 32 H ALA 32 -18.326 -0.525 1.016
246 HA ALA 32 HA ALA 32 -16.834 -2.803 0.017
247 1HB ALA 32 1HB ALA 32 -19.436 -2.496 0.189
248 2HB ALA 32 3HB ALA 32 -19.226 -1.742 -1.391
249 3HB ALA 32 2HB ALA 32 -18.714 -3.410 -1.135
250 H ARG 33 H ARG 33 -17.020 -2.845 -2.597
251 HA ARG 33 HA ARG 33 -15.326 -0.617 -3.431
252 1HB ARG 33 2HB ARG 33 -14.143 -2.305 -4.312
253 2HB ARG 33 1HB ARG 33 -15.431 -3.448 -4.002
254 1HG ARG 33 2HG ARG 33 -15.499 -1.645 -6.406
255 2HG ARG 33 1HG ARG 33 -14.577 -3.139 -6.400
256 1HD ARG 33 2HD ARG 33 -16.984 -4.009 -5.452
257 2HD ARG 33 1HD ARG 33 -17.475 -2.738 -6.557
258 HE ARG 33 HE ARG 33 -16.416 -5.285 -7.246
259 1HH1 ARG 33 1HH2 ARG 33 -16.587 -1.958 -8.258
260 2HH1 ARG 33 2HH2 ARG 33 -16.348 -2.322 -9.935
261 1HH2 ARG 33 2HH1 ARG 33 -16.100 -5.774 -9.451
262 2HH2 ARG 33 1HH1 ARG 33 -16.068 -4.489 -10.612
263 H SER 34 H SER 34 -18.376 -2.197 -4.252
264 HA SER 34 HA SER 34 -19.539 0.156 -5.226
265 1HB SER 34 2HB SER 34 -19.400 0.110 -7.522
266 2HB SER 34 1HB SER 34 -17.820 -0.558 -7.123
267 HG SER 34 HG SER 34 -18.416 -2.244 -8.208
268 H GLY 35 H GLY 35 -20.928 -1.489 -7.436
269 1HA GLY 35 2HA GLY 35 -22.278 -3.584 -7.208
270 2HA GLY 35 1HA GLY 35 -22.679 -3.015 -5.594
271 H GLU 36 H GLU 36 -24.893 -3.231 -6.245
272 HA GLU 36 HA GLU 36 -26.088 -0.805 -6.958
273 1HB GLU 36 2HB GLU 36 -25.225 -2.256 -9.210
274 2HB GLU 36 1HB GLU 36 -26.963 -2.509 -9.141
275 1HG GLU 36 2HG GLU 36 -25.705 0.213 -8.987
276 2HG GLU 36 1HG GLU 36 -26.162 -0.550 -10.508
277 H CYS 37 H CYS 37 -28.537 -1.162 -7.404
278 HA CYS 37 HA CYS 37 -29.428 -3.092 -5.425
279 1HB CYS 37 2HB CYS 37 -30.288 -0.511 -6.286
280 2HB CYS 37 1HB CYS 37 -31.631 -1.631 -6.496
281 H PHE 38 H PHE 38 -30.512 -4.914 -5.803
282 HA PHE 38 HA PHE 38 -31.831 -5.338 -8.361
283 1HB PHE 38 2HB PHE 38 -29.581 -7.118 -7.402
284 2HB PHE 38 1HB PHE 38 -30.644 -7.478 -8.759
285 HD1 PHE 38 HD1 PHE 38 -30.757 -5.571 -10.583
286 HD2 PHE 38 HD2 PHE 38 -27.556 -6.131 -7.836
287 HE1 PHE 38 HE1 PHE 38 -29.253 -4.340 -12.091
288 HE2 PHE 38 HE2 PHE 38 -26.045 -4.900 -9.340
289 HZ PHE 38 HZ PHE 38 -26.893 -4.004 -11.471
290 H TYR 39 H TYR 39 -32.402 -7.971 -8.246
291 HA TYR 39 HA TYR 39 -34.162 -8.113 -5.933
292 1HB TYR 39 2HB TYR 39 -34.044 -9.467 -8.589
293 2HB TYR 39 1HB TYR 39 -34.905 -10.257 -7.275
294 HD1 TYR 39 HD2 TYR 39 -34.663 -6.741 -8.545
295 HD2 TYR 39 HD1 TYR 39 -37.176 -9.984 -7.417
296 HE1 TYR 39 HE2 TYR 39 -36.645 -5.361 -9.010
297 HE2 TYR 39 HE1 TYR 39 -39.164 -8.613 -7.880
298 HH TYR 39 HH TYR 39 -39.852 -6.701 -9.030
299 H ASP 40 H ASP 40 -34.129 -9.697 -4.392
300 HA ASP 40 HA ASP 40 -31.654 -11.258 -4.227
301 1HB ASP 40 2HB ASP 40 -31.877 -11.217 -1.912
302 2HB ASP 40 1HB ASP 40 -32.545 -9.656 -2.378
303 H GLU 41 H GLU 41 -31.911 -13.398 -3.011
304 HA GLU 41 HA GLU 41 -33.462 -15.129 -4.596
305 1HB GLU 41 2HB GLU 41 -31.311 -15.517 -3.088
306 2HB GLU 41 1HB GLU 41 -32.515 -16.022 -1.911
307 1HG GLU 41 2HG GLU 41 -33.413 -17.525 -3.796
308 2HG GLU 41 1HG GLU 41 -31.855 -17.230 -4.566
309 H LYS 42 H LYS 42 -35.150 -13.152 -3.422
310 HA LYS 42 HA LYS 42 -37.077 -14.909 -2.117
311 1HB LYS 42 2HB LYS 42 -35.733 -13.561 -0.402
312 2HB LYS 42 1HB LYS 42 -36.524 -12.141 -1.055
313 1HG LYS 42 2HG LYS 42 -37.652 -12.853 0.939
314 2HG LYS 42 1HG LYS 42 -38.706 -13.081 -0.452
315 1HD LYS 42 2HD LYS 42 -38.673 -14.944 1.265
316 2HD LYS 42 1HD LYS 42 -38.421 -15.429 -0.407
317 1HE LYS 42 2HE LYS 42 -36.906 -16.479 1.342
318 2HE LYS 42 1HE LYS 42 -36.115 -15.771 -0.065
319 1HZ LYS 42 3HZ LYS 42 -35.824 -13.722 1.342
320 2HZ LYS 42 2HZ LYS 42 -36.300 -14.651 2.671
321 3HZ LYS 42 1HZ LYS 42 -34.905 -15.065 1.809
322 H ARG 43 H ARG 43 -36.439 -13.091 -4.634
323 HA ARG 43 HA ARG 43 -37.638 -11.968 -6.202
324 1HB ARG 43 2HB ARG 43 -39.771 -13.473 -4.727
325 2HB ARG 43 1HB ARG 43 -40.240 -12.294 -5.941
326 1HG ARG 43 2HG ARG 43 -39.997 -13.889 -7.489
327 2HG ARG 43 1HG ARG 43 -38.264 -13.867 -7.173
328 1HD ARG 43 2HD ARG 43 -40.279 -15.568 -5.713
329 2HD ARG 43 1HD ARG 43 -39.232 -16.122 -7.017
330 HE ARG 43 HE ARG 43 -38.351 -15.307 -4.332
331 1HH1 ARG 43 1HH2 ARG 43 -37.729 -16.889 -7.382
332 2HH1 ARG 43 2HH2 ARG 43 -36.250 -17.610 -6.845
333 1HH2 ARG 43 2HH1 ARG 43 -36.407 -16.253 -3.630
334 2HH2 ARG 43 1HH1 ARG 43 -35.498 -17.249 -4.719
335 H ASN 44 H ASN 44 -36.692 -10.241 -4.592
336 HA ASN 44 HA ASN 44 -38.834 -8.297 -4.214
337 1HB ASN 44 2HB ASN 44 -36.837 -9.011 -2.051
338 2HB ASN 44 1HB ASN 44 -37.929 -7.630 -1.995
339 1HD2 ASN 44 2HD2 ASN 44 -40.234 -9.561 -0.313
340 2HD2 ASN 44 1HD2 ASN 44 -39.282 -8.123 -0.404
341 H LEU 45 H LEU 45 -36.586 -6.757 -2.672
342 HA LEU 45 HA LEU 45 -34.680 -6.262 -4.781
343 1HB LEU 45 2HB LEU 45 -36.375 -4.928 -5.683
344 2HB LEU 45 1HB LEU 45 -36.850 -4.311 -4.110
345 HG LEU 45 HG LEU 45 -34.720 -3.042 -3.997
346 1HD1 LEU 45 2HD1 LEU 45 -34.316 -4.369 -6.642
347 2HD1 LEU 45 1HD1 LEU 45 -33.621 -2.776 -6.338
348 3HD1 LEU 45 3HD1 LEU 45 -33.178 -4.143 -5.314
349 1HD2 LEU 45 3HD2 LEU 45 -36.957 -2.244 -5.073
350 2HD2 LEU 45 2HD2 LEU 45 -35.497 -1.274 -5.260
351 3HD2 LEU 45 1HD2 LEU 45 -36.038 -2.315 -6.577
352 H GLN 46 H GLN 46 -32.777 -5.695 -3.954
353 HA GLN 46 HA GLN 46 -32.654 -4.213 -1.449
354 1HB GLN 46 2HB GLN 46 -31.794 -7.043 -1.804
355 2HB GLN 46 1HB GLN 46 -30.744 -6.005 -0.853
356 1HG GLN 46 2HG GLN 46 -32.069 -6.890 0.778
357 2HG GLN 46 1HG GLN 46 -32.962 -5.416 0.411
358 1HE2 GLN 46 2HE2 GLN 46 -34.463 -9.068 -0.651
359 2HE2 GLN 46 1HE2 GLN 46 -32.774 -8.856 -0.355
360 H CYS 47 H CYS 47 -30.225 -3.888 -0.867
361 HA CYS 47 HA CYS 47 -28.957 -2.800 -3.260
362 1HB CYS 47 2HB CYS 47 -29.160 -2.003 -0.491
363 2HB CYS 47 1HB CYS 47 -27.472 -2.036 -0.992
364 H ILE 48 H ILE 48 -27.727 -4.302 -4.261
365 HA ILE 48 HA ILE 48 -26.179 -6.224 -2.752
366 HB ILE 48 HB ILE 48 -26.273 -5.709 -5.727
367 1HG1 ILE 48 2HG1 ILE 48 -28.357 -6.579 -4.415
368 2HG1 ILE 48 1HG1 ILE 48 -27.872 -7.390 -5.902
369 1HG2 ILE 48 3HG2 ILE 48 -24.820 -7.708 -4.052
370 2HG2 ILE 48 2HG2 ILE 48 -25.345 -8.139 -5.681
371 3HG2 ILE 48 1HG2 ILE 48 -24.249 -6.780 -5.438
372 1HD1 ILE 48 2HD1 ILE 48 -27.035 -8.324 -3.174
373 2HD1 ILE 48 1HD1 ILE 48 -28.492 -8.887 -3.992
374 3HD1 ILE 48 3HD1 ILE 48 -26.908 -9.188 -4.706
375 H CYS 49 H CYS 49 -24.311 -5.648 -1.847
376 HA CYS 49 HA CYS 49 -22.722 -3.500 -3.040
377 1HB CYS 49 2HB CYS 49 -22.435 -4.910 -0.379
378 2HB CYS 49 1HB CYS 49 -21.451 -3.557 -0.922
379 H ASP 50 H ASP 50 -20.961 -3.882 -4.204
380 HA ASP 50 HA ASP 50 -19.884 -6.598 -4.333
381 1HB ASP 50 2HB ASP 50 -20.466 -5.415 -6.450
382 2HB ASP 50 1HB ASP 50 -19.246 -4.202 -6.075
383 H TYR 51 H TYR 51 -17.817 -7.120 -3.916
384 HA TYR 51 HA TYR 51 -16.110 -5.080 -2.642
385 1HB TYR 51 2HB TYR 51 -16.554 -7.925 -1.785
386 2HB TYR 51 1HB TYR 51 -15.452 -6.794 -1.009
387 HD1 TYR 51 HD2 TYR 51 -16.336 -4.975 0.369
388 HD2 TYR 51 HD1 TYR 51 -18.927 -7.820 -1.440
389 HE1 TYR 51 HE2 TYR 51 -18.159 -4.248 1.854
390 HE2 TYR 51 HE1 TYR 51 -20.756 -7.115 0.042
391 HH TYR 51 HH TYR 51 -20.222 -4.834 2.658
392 H CYS 52 H CYS 52 -16.040 -6.181 -5.394
393 HA CYS 52 HA CYS 52 -13.680 -7.903 -5.344
394 1HB CYS 52 2HB CYS 52 -15.921 -7.625 -7.079
395 2HB CYS 52 1HB CYS 52 -14.475 -7.282 -8.023
396 H GLU 53 H GLU 53 -14.420 -5.391 -7.726
397 HA GLU 53 HA GLU 53 -13.278 -3.442 -8.243
398 1HB GLU 53 2HB GLU 53 -12.477 -3.665 -5.711
399 2HB GLU 53 1HB GLU 53 -10.963 -4.118 -6.478
400 1HG GLU 53 2HG GLU 53 -12.414 -1.604 -7.228
401 2HG GLU 53 1HG GLU 53 -11.312 -1.671 -5.856
402 H TYR 54 HN TYR 54 -10.796 -5.859 -7.412
403 HA TYR 54 HA TYR 54 -8.980 -6.557 -8.645
404 1HB TYR 54 2HB TYR 54 -11.424 -7.213 -10.276
405 2HB TYR 54 1HB TYR 54 -9.821 -7.714 -10.802
406 HD1 TYR 54 HD2 TYR 54 -11.444 -7.660 -7.428
407 HD2 TYR 54 HD1 TYR 54 -9.620 -9.993 -10.484
408 HE1 TYR 54 HE2 TYR 54 -11.594 -9.648 -5.993
409 HE2 TYR 54 HE1 TYR 54 -9.768 -11.988 -9.055
410 HH TYR 54 HH TYR 54 -11.516 -11.960 -6.032
No H/Q in entry = 410
Start of MODEL 8
1 HN PCA 1 HN PCA 1 -14.062 -10.217 3.576
2 HA PCA 1 HA PCA 1 -11.500 -10.302 3.557
3 1HB PCA 1 1HB PCA 1 -10.549 -11.852 4.906
4 2HB PCA 1 2HB PCA 1 -11.374 -13.171 4.042
5 1HG PCA 1 1HG PCA 1 -12.098 -11.903 6.570
6 2HG PCA 1 2HG PCA 1 -12.830 -13.320 5.794
7 H ASP 2 H ASP 2 -14.130 -12.161 2.411
8 HA ASP 2 HA ASP 2 -12.840 -12.420 -0.207
9 1HB ASP 2 2HB ASP 2 -14.013 -14.695 -0.407
10 2HB ASP 2 1HB ASP 2 -12.563 -14.625 0.588
11 H LYS 3 H LYS 3 -15.656 -14.167 -0.150
12 HA LYS 3 HA LYS 3 -17.497 -13.697 -1.539
13 1HB LYS 3 2HB LYS 3 -17.927 -12.153 1.023
14 2HB LYS 3 1HB LYS 3 -19.201 -12.622 -0.096
15 1HG LYS 3 2HG LYS 3 -19.106 -14.832 0.502
16 2HG LYS 3 1HG LYS 3 -17.421 -14.733 1.012
17 1HD LYS 3 2HD LYS 3 -18.066 -13.491 2.997
18 2HD LYS 3 1HD LYS 3 -19.751 -13.491 2.473
19 1HE LYS 3 2HE LYS 3 -19.768 -15.948 2.598
20 2HE LYS 3 1HE LYS 3 -18.102 -15.917 3.172
21 1HZ LYS 3 1HZ LYS 3 -19.969 -14.276 4.663
22 2HZ LYS 3 3HZ LYS 3 -20.219 -15.945 4.783
23 3HZ LYS 3 2HZ LYS 3 -18.726 -15.279 5.219
24 H CYS 4 H CYS 4 -16.573 -12.447 -3.251
25 HA CYS 4 HA CYS 4 -16.214 -9.662 -3.113
26 1HB CYS 4 2HB CYS 4 -16.592 -11.551 -5.425
27 2HB CYS 4 1HB CYS 4 -16.356 -9.821 -5.661
28 H LYS 5 H LYS 5 -18.964 -11.177 -2.595
29 HA LYS 5 HA LYS 5 -20.594 -8.952 -3.588
30 1HB LYS 5 2HB LYS 5 -20.659 -11.493 -4.736
31 2HB LYS 5 1HB LYS 5 -22.041 -11.496 -3.653
32 1HG LYS 5 2HG LYS 5 -22.995 -10.699 -5.564
33 2HG LYS 5 1HG LYS 5 -22.541 -9.185 -4.780
34 1HD LYS 5 2HD LYS 5 -20.552 -9.029 -6.131
35 2HD LYS 5 1HD LYS 5 -20.857 -10.618 -6.832
36 1HE LYS 5 2HE LYS 5 -23.181 -9.397 -7.440
37 2HE LYS 5 1HE LYS 5 -22.099 -8.004 -7.442
38 1HZ LYS 5 1HZ LYS 5 -21.335 -10.442 -8.899
39 2HZ LYS 5 3HZ LYS 5 -22.443 -9.369 -9.593
40 3HZ LYS 5 2HZ LYS 5 -20.888 -8.837 -9.192
41 H LYS 6 H LYS 6 -21.831 -8.115 -1.987
42 HA LYS 6 HA LYS 6 -22.748 -9.868 0.169
43 1HB LYS 6 2HB LYS 6 -21.137 -7.355 0.650
44 2HB LYS 6 1HB LYS 6 -21.985 -8.261 1.897
45 1HG LYS 6 2HG LYS 6 -20.517 -10.243 0.870
46 2HG LYS 6 1HG LYS 6 -19.467 -8.886 0.473
47 1HD LYS 6 2HD LYS 6 -18.775 -9.692 2.596
48 2HD LYS 6 1HD LYS 6 -19.639 -8.182 2.883
49 1HE LYS 6 2HE LYS 6 -21.278 -10.644 2.966
50 2HE LYS 6 1HE LYS 6 -20.098 -10.458 4.263
51 1HZ LYS 6 1HZ LYS 6 -21.218 -8.020 4.167
52 2HZ LYS 6 3HZ LYS 6 -22.538 -9.001 3.769
53 3HZ LYS 6 2HZ LYS 6 -21.700 -9.255 5.217
54 H VAL 7 H VAL 7 -24.863 -9.614 0.101
55 HA VAL 7 HA VAL 7 -26.159 -7.289 -0.853
56 HB VAL 7 HB VAL 7 -28.197 -8.352 -0.501
57 1HG1 VAL 7 1HG1 VAL 7 -26.456 -9.551 -1.992
58 2HG1 VAL 7 3HG1 VAL 7 -26.479 -10.781 -0.727
59 3HG1 VAL 7 2HG1 VAL 7 -27.963 -10.372 -1.587
60 1HG2 VAL 7 3HG2 VAL 7 -26.798 -9.838 1.694
61 2HG2 VAL 7 2HG2 VAL 7 -28.247 -8.835 1.776
62 3HG2 VAL 7 1HG2 VAL 7 -28.315 -10.420 1.007
63 H TYR 8 H TYR 8 -27.298 -5.696 0.158
64 HA TYR 8 HA TYR 8 -26.560 -5.206 2.936
65 1HB TYR 8 2HB TYR 8 -26.519 -3.446 1.008
66 2HB TYR 8 1HB TYR 8 -28.257 -3.369 1.261
67 HD1 TYR 8 HD1 TYR 8 -27.670 -3.925 4.430
68 HD2 TYR 8 HD2 TYR 8 -26.479 -1.021 1.550
69 HE1 TYR 8 HE1 TYR 8 -27.319 -2.296 6.224
70 HE2 TYR 8 HE2 TYR 8 -26.126 0.617 3.347
71 HH TYR 8 HH TYR 8 -27.188 0.070 6.570
72 H GLU 9 H GLU 9 -27.923 -7.112 3.510
73 HA GLU 9 HA GLU 9 -30.698 -7.138 3.164
74 1HB GLU 9 2HB GLU 9 -30.701 -8.706 5.115
75 2HB GLU 9 1HB GLU 9 -29.608 -9.150 3.814
76 1HG GLU 9 2HG GLU 9 -27.869 -7.819 5.263
77 2HG GLU 9 1HG GLU 9 -29.004 -8.192 6.561
78 H ASN 10 H ASN 10 -30.993 -4.803 3.570
79 HA ASN 10 HA ASN 10 -32.462 -4.321 5.878
80 1HB ASN 10 2HB ASN 10 -30.050 -4.318 6.846
81 2HB ASN 10 1HB ASN 10 -29.881 -2.770 6.038
82 1HD2 ASN 10 2HD2 ASN 10 -33.031 -2.119 8.273
83 2HD2 ASN 10 1HD2 ASN 10 -33.015 -2.848 6.706
84 H TYR 11 H TYR 11 -30.110 -2.076 4.482
85 HA TYR 11 HA TYR 11 -30.912 0.183 3.992
86 1HB TYR 11 2HB TYR 11 -29.439 -1.147 2.367
87 2HB TYR 11 1HB TYR 11 -30.899 -1.332 1.402
88 HD1 TYR 11 HD1 TYR 11 -28.472 1.101 2.739
89 HD2 TYR 11 HD2 TYR 11 -31.778 0.491 0.127
90 HE1 TYR 11 HE1 TYR 11 -28.068 3.303 1.721
91 HE2 TYR 11 HE2 TYR 11 -31.380 2.691 -0.896
92 HH TYR 11 HH TYR 11 -29.445 4.267 -1.178
93 HA PRO 12 HA PRO 12 -35.452 0.231 3.797
94 1HB PRO 12 2HB PRO 12 -34.750 2.957 2.772
95 2HB PRO 12 1HB PRO 12 -35.994 2.481 3.937
96 1HG PRO 12 2HG PRO 12 -33.700 3.554 4.758
97 2HG PRO 12 1HG PRO 12 -34.469 2.239 5.664
98 1HD PRO 12 2HD PRO 12 -32.050 2.187 3.943
99 2HD PRO 12 1HD PRO 12 -32.463 1.180 5.345
100 H VAL 13 H VAL 13 -35.806 -1.171 2.070
101 HA VAL 13 HA VAL 13 -35.047 -0.824 -0.574
102 HB VAL 13 HB VAL 13 -37.719 -2.020 0.022
103 1HG1 VAL 13 3HG1 VAL 13 -36.466 -1.921 -2.258
104 2HG1 VAL 13 2HG1 VAL 13 -35.536 -3.262 -1.590
105 3HG1 VAL 13 1HG1 VAL 13 -37.284 -3.404 -1.768
106 1HG2 VAL 13 1HG2 VAL 13 -35.065 -3.120 0.911
107 2HG2 VAL 13 3HG2 VAL 13 -36.509 -2.837 1.882
108 3HG2 VAL 13 2HG2 VAL 13 -36.494 -4.130 0.684
109 H SER 14 H SER 14 -35.288 1.356 -1.142
110 HA SER 14 HA SER 14 -37.649 2.005 -2.511
111 1HB SER 14 2HB SER 14 -38.090 4.122 -0.986
112 2HB SER 14 1HB SER 14 -38.836 2.570 -0.608
113 HG SER 14 HG SER 14 -37.809 2.624 1.211
114 H LYS 15 H LYS 15 -37.313 3.642 -3.933
115 HA LYS 15 HA LYS 15 -36.338 5.456 -4.934
116 1HB LYS 15 2HB LYS 15 -34.134 5.536 -2.897
117 2HB LYS 15 1HB LYS 15 -34.811 6.846 -3.853
118 1HG LYS 15 2HG LYS 15 -36.965 5.960 -2.344
119 2HG LYS 15 1HG LYS 15 -35.606 5.871 -1.226
120 1HD LYS 15 2HD LYS 15 -36.405 8.033 -0.927
121 2HD LYS 15 1HD LYS 15 -35.059 8.255 -2.044
122 1HE LYS 15 2HE LYS 15 -36.946 9.562 -2.789
123 2HE LYS 15 1HE LYS 15 -36.659 8.244 -3.925
124 1HZ LYS 15 3HZ LYS 15 -38.518 7.617 -1.806
125 2HZ LYS 15 2HZ LYS 15 -39.047 8.836 -2.851
126 3HZ LYS 15 1HZ LYS 15 -38.629 7.318 -3.467
127 H CYS 16 H CYS 16 -35.356 2.457 -4.728
128 HA CYS 16 HA CYS 16 -32.676 2.489 -5.665
129 1HB CYS 16 2HB CYS 16 -34.669 0.518 -5.046
130 2HB CYS 16 1HB CYS 16 -33.985 0.143 -6.620
131 H GLN 17 H GLN 17 -34.759 4.176 -7.100
132 HA GLN 17 HA GLN 17 -34.667 3.028 -9.782
133 1HB GLN 17 2HB GLN 17 -36.104 5.393 -8.596
134 2HB GLN 17 1HB GLN 17 -36.070 5.083 -10.326
135 1HG GLN 17 2HG GLN 17 -38.095 4.198 -9.498
136 2HG GLN 17 1HG GLN 17 -37.042 2.830 -9.854
137 1HE2 GLN 17 2HE2 GLN 17 -38.284 3.597 -6.067
138 2HE2 GLN 17 1HE2 GLN 17 -38.573 4.702 -7.363
139 H LEU 18 H LEU 18 -32.360 4.313 -8.218
140 HA LEU 18 HA LEU 18 -31.119 5.545 -10.449
141 1HB LEU 18 2HB LEU 18 -32.485 7.227 -8.507
142 2HB LEU 18 1HB LEU 18 -30.786 7.639 -8.641
143 HG LEU 18 HG LEU 18 -32.551 7.382 -11.043
144 1HD1 LEU 18 3HD1 LEU 18 -32.242 9.656 -9.143
145 2HD1 LEU 18 2HD1 LEU 18 -32.445 9.985 -10.863
146 3HD1 LEU 18 1HD1 LEU 18 -33.680 9.081 -9.988
147 1HD2 LEU 18 3HD2 LEU 18 -29.950 7.395 -11.065
148 2HD2 LEU 18 2HD2 LEU 18 -30.839 8.390 -12.217
149 3HD2 LEU 18 1HD2 LEU 18 -30.143 9.122 -10.772
150 H ALA 19 H ALA 19 -28.900 5.772 -10.201
151 HA ALA 19 HA ALA 19 -27.619 4.042 -8.436
152 1HB ALA 19 3HB ALA 19 -26.825 5.256 -10.650
153 2HB ALA 19 2HB ALA 19 -26.098 6.368 -9.491
154 3HB ALA 19 1HB ALA 19 -25.672 4.657 -9.458
155 H ASN 20 H ASN 20 -25.623 5.024 -7.130
156 HA ASN 20 HA ASN 20 -24.873 6.258 -5.369
157 1HB ASN 20 2HB ASN 20 -26.422 8.096 -6.614
158 2HB ASN 20 1HB ASN 20 -27.289 7.951 -5.090
159 1HD2 ASN 20 2HD2 ASN 20 -24.658 9.303 -3.134
160 2HD2 ASN 20 1HD2 ASN 20 -25.948 8.154 -3.116
161 H GLN 21 H GLN 21 -28.405 6.370 -4.892
162 HA GLN 21 HA GLN 21 -28.369 5.640 -2.211
163 1HB GLN 21 2HB GLN 21 -30.470 5.381 -4.350
164 2HB GLN 21 1HB GLN 21 -30.773 4.833 -2.708
165 1HG GLN 21 2HG GLN 21 -31.590 7.135 -3.253
166 2HG GLN 21 1HG GLN 21 -30.547 7.016 -1.835
167 1HE2 GLN 21 2HE2 GLN 21 -27.880 8.834 -3.258
168 2HE2 GLN 21 1HE2 GLN 21 -28.301 7.621 -2.102
169 H CYS 22 H CYS 22 -26.722 4.024 -2.250
170 HA CYS 22 HA CYS 22 -26.800 1.696 -1.409
171 1HB CYS 22 2HB CYS 22 -28.078 1.273 -4.122
172 2HB CYS 22 1HB CYS 22 -27.351 -0.021 -3.191
173 H ASN 23 H ASN 23 -26.197 2.588 -4.801
174 HA ASN 23 HA ASN 23 -23.843 1.145 -5.172
175 1HB ASN 23 2HB ASN 23 -25.272 2.558 -6.847
176 2HB ASN 23 1HB ASN 23 -24.211 3.879 -6.368
177 1HD2 ASN 23 2HD2 ASN 23 -22.013 2.959 -8.857
178 2HD2 ASN 23 1HD2 ASN 23 -22.990 4.173 -8.110
179 H TYR 24 H TYR 24 -24.253 4.551 -4.222
180 HA TYR 24 HA TYR 24 -21.577 5.131 -3.704
181 1HB TYR 24 2HB TYR 24 -22.768 7.077 -3.639
182 2HB TYR 24 1HB TYR 24 -24.199 6.296 -2.975
183 HD1 TYR 24 HD2 TYR 24 -20.705 6.653 -1.688
184 HD2 TYR 24 HD1 TYR 24 -24.843 7.412 -1.066
185 HE1 TYR 24 HE2 TYR 24 -20.193 7.593 0.526
186 HE2 TYR 24 HE1 TYR 24 -24.346 8.350 1.149
187 HH TYR 24 HH TYR 24 -22.565 9.278 2.400
188 H ASP 25 H ASP 25 -24.127 4.116 -1.422
189 HA ASP 25 HA ASP 25 -22.677 3.977 0.895
190 1HB ASP 25 2HB ASP 25 -24.950 2.343 -0.170
191 2HB ASP 25 1HB ASP 25 -24.180 1.855 1.336
192 H CYS 26 H CYS 26 -22.996 1.393 -1.541
193 HA CYS 26 HA CYS 26 -21.219 -0.390 -0.309
194 1HB CYS 26 2HB CYS 26 -21.702 -0.076 -3.286
195 2HB CYS 26 1HB CYS 26 -21.083 -1.506 -2.472
196 H LYS 27 H LYS 27 -20.752 2.192 -2.665
197 HA LYS 27 HA LYS 27 -18.015 1.878 -3.158
198 1HB LYS 27 2HB LYS 27 -19.798 3.450 -4.249
199 2HB LYS 27 1HB LYS 27 -19.303 4.586 -3.004
200 1HG LYS 27 2HG LYS 27 -17.976 5.191 -4.790
201 2HG LYS 27 1HG LYS 27 -16.908 4.139 -3.861
202 1HD LYS 27 2HD LYS 27 -17.156 2.365 -5.376
203 2HD LYS 27 1HD LYS 27 -18.593 3.075 -6.112
204 1HE LYS 27 2HE LYS 27 -17.381 4.574 -7.360
205 2HE LYS 27 1HE LYS 27 -16.023 4.577 -6.236
206 1HZ LYS 27 2HZ LYS 27 -15.839 2.104 -7.037
207 2HZ LYS 27 1HZ LYS 27 -16.642 2.701 -8.401
208 3HZ LYS 27 3HZ LYS 27 -15.154 3.361 -7.938
209 H LEU 28 H LEU 28 -19.342 2.203 -0.251
210 HA LEU 28 HA LEU 28 -16.925 3.036 1.022
211 1HB LEU 28 2HB LEU 28 -18.139 5.188 0.332
212 2HB LEU 28 1HB LEU 28 -19.338 4.759 1.537
213 HG LEU 28 HG LEU 28 -17.235 4.628 3.123
214 1HD1 LEU 28 1HD1 LEU 28 -15.680 5.021 1.192
215 2HD1 LEU 28 3HD1 LEU 28 -16.307 6.668 1.117
216 3HD1 LEU 28 2HD1 LEU 28 -15.469 6.109 2.564
217 1HD2 LEU 28 3HD2 LEU 28 -18.641 7.116 2.188
218 2HD2 LEU 28 2HD2 LEU 28 -18.998 6.124 3.602
219 3HD2 LEU 28 1HD2 LEU 28 -17.532 7.104 3.559
220 H ASP 29 H ASP 29 -19.214 4.000 3.111
221 HA ASP 29 HA ASP 29 -19.837 3.044 5.112
222 1HB ASP 29 2HB ASP 29 -21.241 1.272 3.104
223 2HB ASP 29 1HB ASP 29 -21.700 1.461 4.794
224 H LYS 30 H LYS 30 -19.873 0.019 3.267
225 HA LYS 30 HA LYS 30 -18.288 -1.229 5.379
226 1HB LYS 30 2HB LYS 30 -19.592 -2.555 3.000
227 2HB LYS 30 1HB LYS 30 -18.979 -3.336 4.450
228 1HG LYS 30 2HG LYS 30 -21.103 -3.268 5.169
229 2HG LYS 30 1HG LYS 30 -20.787 -1.562 5.489
230 1HD LYS 30 2HD LYS 30 -21.655 -0.987 3.274
231 2HD LYS 30 1HD LYS 30 -21.956 -2.696 2.947
232 1HE LYS 30 2HE LYS 30 -24.036 -1.855 3.614
233 2HE LYS 30 1HE LYS 30 -23.405 -2.658 5.051
234 1HZ LYS 30 2HZ LYS 30 -22.486 -0.244 5.498
235 2HZ LYS 30 1HZ LYS 30 -23.809 0.190 4.537
236 3HZ LYS 30 3HZ LYS 30 -24.049 -0.699 5.958
237 H HIS 31 H HIS 31 -17.345 0.547 3.030
238 HA HIS 31 HA HIS 31 -15.469 0.756 1.775
239 1HB HIS 31 2HB HIS 31 -14.510 -1.721 3.215
240 2HB HIS 31 1HB HIS 31 -13.514 -0.538 2.375
241 HD1 HIS 31 HD1 HIS 31 -13.795 -1.434 5.589
242 HD2 HIS 31 HD2 HIS 31 -14.647 2.192 3.747
243 HE1 HIS 31 HE1 HIS 31 -13.660 0.296 7.411
244 HE2 HIS 31 HE2 HIS 31 -14.119 2.490 6.261
245 H ALA 32 H ALA 32 -17.495 -0.370 0.375
246 HA ALA 32 HA ALA 32 -16.478 -2.776 -0.925
247 1HB ALA 32 2HB ALA 32 -19.040 -1.877 -0.399
248 2HB ALA 32 1HB ALA 32 -18.856 -1.587 -2.128
249 3HB ALA 32 3HB ALA 32 -18.613 -3.205 -1.476
250 H ARG 33 H ARG 33 -17.172 -2.540 -3.497
251 HA ARG 33 HA ARG 33 -15.539 -0.282 -4.477
252 1HB ARG 33 2HB ARG 33 -15.865 -3.082 -5.552
253 2HB ARG 33 1HB ARG 33 -15.096 -1.783 -6.454
254 1HG ARG 33 2HG ARG 33 -13.660 -1.591 -4.238
255 2HG ARG 33 1HG ARG 33 -14.125 -3.286 -4.087
256 1HD ARG 33 2HD ARG 33 -12.155 -3.446 -5.272
257 2HD ARG 33 1HD ARG 33 -13.350 -3.433 -6.569
258 HE ARG 33 HE ARG 33 -12.439 -0.806 -5.943
259 1HH1 ARG 33 1HH2 ARG 33 -11.596 -3.724 -7.651
260 2HH1 ARG 33 2HH2 ARG 33 -10.569 -2.915 -8.787
261 1HH2 ARG 33 2HH1 ARG 33 -11.095 0.269 -7.437
262 2HH2 ARG 33 1HH1 ARG 33 -10.285 -0.643 -8.666
263 H SER 34 H SER 34 -18.476 -2.141 -4.882
264 HA SER 34 HA SER 34 -19.763 0.025 -6.218
265 1HB SER 34 2HB SER 34 -20.312 -1.290 -8.306
266 2HB SER 34 1HB SER 34 -18.636 -0.755 -8.184
267 HG SER 34 HG SER 34 -18.585 -2.883 -8.773
268 H GLY 35 H GLY 35 -21.879 -1.251 -7.402
269 1HA GLY 35 2HA GLY 35 -23.072 -3.421 -6.309
270 2HA GLY 35 1HA GLY 35 -23.307 -2.191 -5.076
271 H GLU 36 H GLU 36 -25.555 -3.173 -6.012
272 HA GLU 36 HA GLU 36 -26.921 -0.975 -7.100
273 1HB GLU 36 2HB GLU 36 -25.576 -2.108 -9.108
274 2HB GLU 36 1HB GLU 36 -26.978 -3.166 -9.119
275 1HG GLU 36 2HG GLU 36 -28.450 -1.357 -9.547
276 2HG GLU 36 1HG GLU 36 -27.182 -0.171 -9.236
277 H CYS 37 H CYS 37 -29.164 -1.728 -7.956
278 HA CYS 37 HA CYS 37 -30.256 -3.452 -5.895
279 1HB CYS 37 2HB CYS 37 -31.819 -2.029 -8.028
280 2HB CYS 37 1HB CYS 37 -32.343 -2.478 -6.407
281 H PHE 38 H PHE 38 -31.176 -5.439 -6.219
282 HA PHE 38 HA PHE 38 -31.566 -6.386 -8.964
283 1HB PHE 38 2HB PHE 38 -29.816 -7.760 -6.918
284 2HB PHE 38 1HB PHE 38 -30.372 -8.517 -8.407
285 HD1 PHE 38 HD2 PHE 38 -29.486 -7.845 -10.552
286 HD2 PHE 38 HD1 PHE 38 -28.130 -6.027 -6.951
287 HE1 PHE 38 HE2 PHE 38 -27.557 -6.906 -11.754
288 HE2 PHE 38 HE1 PHE 38 -26.198 -5.087 -8.146
289 HZ PHE 38 HZ PHE 38 -25.909 -5.525 -10.552
290 H TYR 39 H TYR 39 -33.341 -7.586 -9.201
291 HA TYR 39 HA TYR 39 -35.090 -8.013 -6.992
292 1HB TYR 39 2HB TYR 39 -35.205 -8.411 -9.924
293 2HB TYR 39 1HB TYR 39 -36.300 -9.391 -8.951
294 HD1 TYR 39 HD2 TYR 39 -35.361 -5.932 -9.831
295 HD2 TYR 39 HD1 TYR 39 -38.191 -8.430 -7.873
296 HE1 TYR 39 HE2 TYR 39 -36.910 -4.029 -9.655
297 HE2 TYR 39 HE1 TYR 39 -39.747 -6.535 -7.690
298 HH TYR 39 HH TYR 39 -40.194 -4.429 -8.521
299 H ASP 40 H ASP 40 -36.177 -10.155 -6.639
300 HA ASP 40 HA ASP 40 -34.373 -12.437 -6.974
301 1HB ASP 40 2HB ASP 40 -35.041 -13.006 -4.500
302 2HB ASP 40 1HB ASP 40 -33.700 -11.911 -4.824
303 H GLU 41 H GLU 41 -35.565 -14.439 -5.888
304 HA GLU 41 HA GLU 41 -37.823 -14.930 -7.478
305 1HB GLU 41 2HB GLU 41 -37.183 -16.508 -5.002
306 2HB GLU 41 1HB GLU 41 -37.871 -17.074 -6.518
307 1HG GLU 41 2HG GLU 41 -35.559 -16.277 -7.482
308 2HG GLU 41 1HG GLU 41 -35.043 -16.502 -5.811
309 H LYS 42 H LYS 42 -37.548 -13.307 -4.517
310 HA LYS 42 HA LYS 42 -40.317 -13.846 -3.739
311 1HB LYS 42 2HB LYS 42 -38.195 -12.201 -2.351
312 2HB LYS 42 1HB LYS 42 -39.784 -12.585 -1.706
313 1HG LYS 42 2HG LYS 42 -38.660 -14.245 -0.668
314 2HG LYS 42 1HG LYS 42 -38.884 -15.072 -2.211
315 1HD LYS 42 2HD LYS 42 -36.643 -13.925 -2.854
316 2HD LYS 42 1HD LYS 42 -36.442 -13.735 -1.112
317 1HE LYS 42 2HE LYS 42 -37.109 -16.316 -1.162
318 2HE LYS 42 1HE LYS 42 -36.415 -16.191 -2.778
319 1HZ LYS 42 1HZ LYS 42 -34.874 -15.007 -0.613
320 2HZ LYS 42 3HZ LYS 42 -34.974 -16.696 -0.616
321 3HZ LYS 42 2HZ LYS 42 -34.350 -15.884 -1.962
322 H ARG 43 H ARG 43 -38.957 -11.945 -5.926
323 HA ARG 43 HA ARG 43 -39.562 -10.040 -7.006
324 1HB ARG 43 2HB ARG 43 -41.880 -11.146 -6.493
325 2HB ARG 43 1HB ARG 43 -42.047 -9.824 -5.345
326 1HG ARG 43 2HG ARG 43 -41.852 -8.197 -7.087
327 2HG ARG 43 1HG ARG 43 -41.446 -9.441 -8.269
328 1HD ARG 43 2HD ARG 43 -43.664 -9.167 -8.741
329 2HD ARG 43 1HD ARG 43 -43.778 -10.425 -7.513
330 HE ARG 43 HE ARG 43 -43.909 -7.802 -6.391
331 1HH1 ARG 43 1HH2 ARG 43 -45.759 -10.265 -8.016
332 2HH1 ARG 43 2HH2 ARG 43 -47.276 -9.745 -7.361
333 1HH2 ARG 43 2HH1 ARG 43 -45.905 -7.107 -5.520
334 2HH2 ARG 43 1HH1 ARG 43 -47.359 -7.944 -5.948
335 H ASN 44 H ASN 44 -37.740 -9.564 -5.183
336 HA ASN 44 HA ASN 44 -38.476 -6.938 -4.146
337 1HB ASN 44 2HB ASN 44 -37.711 -9.275 -2.486
338 2HB ASN 44 1HB ASN 44 -36.942 -7.746 -2.069
339 1HD2 ASN 44 2HD2 ASN 44 -40.685 -8.490 -0.947
340 2HD2 ASN 44 1HD2 ASN 44 -39.620 -9.666 -1.632
341 H LEU 45 H LEU 45 -36.884 -5.463 -4.361
342 HA LEU 45 HA LEU 45 -34.451 -6.339 -5.686
343 1HB LEU 45 2HB LEU 45 -34.139 -3.781 -5.873
344 2HB LEU 45 1HB LEU 45 -35.315 -4.595 -6.885
345 HG LEU 45 HG LEU 45 -36.059 -3.231 -4.300
346 1HD1 LEU 45 2HD1 LEU 45 -35.048 -1.827 -6.358
347 2HD1 LEU 45 1HD1 LEU 45 -36.727 -1.937 -6.873
348 3HD1 LEU 45 3HD1 LEU 45 -36.328 -1.226 -5.310
349 1HD2 LEU 45 3HD2 LEU 45 -37.483 -4.913 -6.127
350 2HD2 LEU 45 2HD2 LEU 45 -38.067 -4.122 -4.662
351 3HD2 LEU 45 1HD2 LEU 45 -38.165 -3.288 -6.209
352 H GLN 46 H GLN 46 -32.910 -6.987 -4.360
353 HA GLN 46 HA GLN 46 -32.380 -5.497 -1.897
354 1HB GLN 46 2HB GLN 46 -32.251 -8.210 -2.508
355 2HB GLN 46 1HB GLN 46 -30.562 -7.725 -2.468
356 1HG GLN 46 2HG GLN 46 -30.878 -8.294 -0.287
357 2HG GLN 46 1HG GLN 46 -31.278 -6.579 -0.218
358 1HE2 GLN 46 2HE2 GLN 46 -33.895 -8.326 1.630
359 2HE2 GLN 46 1HE2 GLN 46 -32.199 -8.036 1.775
360 H CYS 47 H CYS 47 -30.569 -4.276 -1.581
361 HA CYS 47 HA CYS 47 -29.112 -3.498 -3.947
362 1HB CYS 47 2HB CYS 47 -29.278 -2.481 -1.133
363 2HB CYS 47 1HB CYS 47 -27.973 -1.945 -2.186
364 H ILE 48 H ILE 48 -27.602 -4.854 -4.611
365 HA ILE 48 HA ILE 48 -25.966 -6.321 -2.744
366 HB ILE 48 HB ILE 48 -25.930 -6.332 -5.750
367 1HG1 ILE 48 2HG1 ILE 48 -27.293 -8.085 -3.703
368 2HG1 ILE 48 1HG1 ILE 48 -28.048 -7.141 -4.979
369 1HG2 ILE 48 3HG2 ILE 48 -23.801 -7.062 -4.812
370 2HG2 ILE 48 2HG2 ILE 48 -24.643 -8.208 -3.768
371 3HG2 ILE 48 1HG2 ILE 48 -24.670 -8.423 -5.519
372 1HD1 ILE 48 1HD1 ILE 48 -26.375 -8.806 -6.371
373 2HD1 ILE 48 3HD1 ILE 48 -26.934 -9.821 -5.041
374 3HD1 ILE 48 2HD1 ILE 48 -28.103 -9.050 -6.114
375 H CYS 49 H CYS 49 -24.046 -5.754 -2.018
376 HA CYS 49 HA CYS 49 -22.635 -3.533 -3.325
377 1HB CYS 49 2HB CYS 49 -22.374 -4.774 -0.581
378 2HB CYS 49 1HB CYS 49 -21.236 -3.588 -1.207
379 H ASP 50 H ASP 50 -21.155 -4.100 -4.769
380 HA ASP 50 HA ASP 50 -19.858 -6.712 -4.600
381 1HB ASP 50 2HB ASP 50 -20.895 -5.782 -6.736
382 2HB ASP 50 1HB ASP 50 -19.536 -4.666 -6.791
383 H TYR 51 H TYR 51 -17.566 -6.952 -4.809
384 HA TYR 51 HA TYR 51 -16.033 -4.604 -3.877
385 1HB TYR 51 2HB TYR 51 -15.954 -7.444 -2.907
386 2HB TYR 51 1HB TYR 51 -14.631 -6.325 -2.611
387 HD1 TYR 51 HD2 TYR 51 -18.346 -6.499 -2.232
388 HD2 TYR 51 HD1 TYR 51 -14.644 -5.170 -0.611
389 HE1 TYR 51 HE2 TYR 51 -19.525 -5.673 -0.240
390 HE2 TYR 51 HE1 TYR 51 -15.811 -4.340 1.389
391 HH TYR 51 HH TYR 51 -18.895 -5.209 2.213
392 H CYS 52 H CYS 52 -16.007 -7.592 -5.774
393 HA CYS 52 HA CYS 52 -13.683 -6.549 -7.228
394 1HB CYS 52 2HB CYS 52 -13.325 -9.383 -7.029
395 2HB CYS 52 1HB CYS 52 -12.269 -8.106 -6.435
396 H GLU 53 H GLU 53 -16.747 -7.667 -7.357
397 HA GLU 53 HA GLU 53 -18.014 -8.831 -8.900
398 1HB GLU 53 2HB GLU 53 -17.833 -7.772 -11.158
399 2HB GLU 53 1HB GLU 53 -17.983 -6.621 -9.839
400 1HG GLU 53 2HG GLU 53 -15.314 -7.381 -10.969
401 2HG GLU 53 1HG GLU 53 -16.306 -6.114 -11.686
402 H TYR 54 HN TYR 54 -15.648 -10.262 -8.205
403 HA TYR 54 HA TYR 54 -14.435 -12.071 -8.847
404 1HB TYR 54 2HB TYR 54 -16.620 -12.067 -10.913
405 2HB TYR 54 1HB TYR 54 -15.325 -13.260 -10.973
406 HD1 TYR 54 HD2 TYR 54 -17.282 -11.812 -8.135
407 HD2 TYR 54 HD1 TYR 54 -16.153 -15.303 -10.288
408 HE1 TYR 54 HE2 TYR 54 -18.497 -13.201 -6.507
409 HE2 TYR 54 HE1 TYR 54 -17.366 -16.700 -8.669
410 HH TYR 54 HH TYR 54 -18.166 -16.599 -6.389
No H/Q in entry = 410
Start of MODEL 9
1 HN PCA 1 HN PCA 1 -18.123 -21.048 -0.455
2 HA PCA 1 HA PCA 1 -16.182 -20.532 -2.012
3 1HB PCA 1 1HB PCA 1 -16.761 -20.303 -4.186
4 2HB PCA 1 2HB PCA 1 -17.587 -18.775 -3.805
5 1HG PCA 1 1HG PCA 1 -18.774 -21.339 -4.378
6 2HG PCA 1 2HG PCA 1 -19.604 -19.834 -3.945
7 H ASP 2 H ASP 2 -14.971 -18.694 -1.649
8 HA ASP 2 HA ASP 2 -16.257 -16.634 -0.010
9 1HB ASP 2 2HB ASP 2 -13.297 -16.781 -0.427
10 2HB ASP 2 1HB ASP 2 -14.200 -16.250 0.988
11 H LYS 3 H LYS 3 -17.196 -15.937 -2.211
12 HA LYS 3 HA LYS 3 -15.542 -14.643 -4.103
13 1HB LYS 3 2HB LYS 3 -18.411 -13.899 -3.569
14 2HB LYS 3 1HB LYS 3 -17.533 -13.840 -5.093
15 1HG LYS 3 2HG LYS 3 -17.341 -16.442 -4.670
16 2HG LYS 3 1HG LYS 3 -18.792 -16.147 -3.711
17 1HD LYS 3 2HD LYS 3 -19.718 -16.593 -5.766
18 2HD LYS 3 1HD LYS 3 -19.561 -14.837 -5.854
19 1HE LYS 3 2HE LYS 3 -17.450 -15.088 -7.067
20 2HE LYS 3 1HE LYS 3 -17.605 -16.842 -6.977
21 1HZ LYS 3 2HZ LYS 3 -19.860 -15.415 -8.131
22 2HZ LYS 3 1HZ LYS 3 -18.438 -15.410 -9.047
23 3HZ LYS 3 3HZ LYS 3 -19.152 -16.877 -8.597
24 H CYS 4 H CYS 4 -17.418 -12.178 -3.990
25 HA CYS 4 HA CYS 4 -16.255 -10.756 -1.726
26 1HB CYS 4 2HB CYS 4 -15.542 -10.282 -4.575
27 2HB CYS 4 1HB CYS 4 -15.740 -8.868 -3.545
28 H LYS 5 H LYS 5 -18.894 -11.444 -3.535
29 HA LYS 5 HA LYS 5 -20.119 -8.800 -3.324
30 1HB LYS 5 2HB LYS 5 -20.719 -11.305 -4.795
31 2HB LYS 5 1HB LYS 5 -22.106 -10.346 -4.297
32 1HG LYS 5 2HG LYS 5 -21.286 -8.436 -5.504
33 2HG LYS 5 1HG LYS 5 -19.787 -9.284 -5.896
34 1HD LYS 5 2HD LYS 5 -20.941 -10.849 -7.272
35 2HD LYS 5 1HD LYS 5 -22.512 -10.264 -6.724
36 1HE LYS 5 2HE LYS 5 -21.292 -7.989 -7.738
37 2HE LYS 5 1HE LYS 5 -20.792 -9.259 -8.854
38 1HZ LYS 5 1HZ LYS 5 -23.422 -9.764 -8.513
39 2HZ LYS 5 3HZ LYS 5 -23.383 -8.074 -8.463
40 3HZ LYS 5 2HZ LYS 5 -22.761 -8.894 -9.803
41 H LYS 6 H LYS 6 -21.578 -8.240 -1.805
42 HA LYS 6 HA LYS 6 -22.877 -10.302 -0.212
43 1HB LYS 6 2HB LYS 6 -21.728 -8.133 1.444
44 2HB LYS 6 1HB LYS 6 -21.920 -9.840 1.802
45 1HG LYS 6 2HG LYS 6 -19.819 -8.926 -0.129
46 2HG LYS 6 1HG LYS 6 -19.556 -8.829 1.609
47 1HD LYS 6 2HD LYS 6 -20.599 -11.412 0.630
48 2HD LYS 6 1HD LYS 6 -18.963 -11.008 0.111
49 1HE LYS 6 2HE LYS 6 -19.947 -11.045 2.963
50 2HE LYS 6 1HE LYS 6 -18.975 -12.301 2.195
51 1HZ LYS 6 1HZ LYS 6 -17.472 -10.167 1.718
52 2HZ LYS 6 3HZ LYS 6 -18.184 -9.681 3.174
53 3HZ LYS 6 2HZ LYS 6 -17.303 -11.123 3.102
54 H VAL 7 H VAL 7 -24.925 -9.795 0.159
55 HA VAL 7 HA VAL 7 -26.041 -7.361 -0.753
56 HB VAL 7 HB VAL 7 -28.084 -8.305 -0.393
57 1HG1 VAL 7 2HG1 VAL 7 -26.364 -10.025 -1.362
58 2HG1 VAL 7 1HG1 VAL 7 -26.702 -10.889 0.139
59 3HG1 VAL 7 3HG1 VAL 7 -28.013 -10.520 -0.981
60 1HG2 VAL 7 2HG2 VAL 7 -26.989 -9.444 2.174
61 2HG2 VAL 7 1HG2 VAL 7 -28.192 -8.169 1.980
62 3HG2 VAL 7 3HG2 VAL 7 -28.592 -9.832 1.551
63 H TYR 8 H TYR 8 -26.918 -5.622 0.399
64 HA TYR 8 HA TYR 8 -25.541 -4.941 2.795
65 1HB TYR 8 2HB TYR 8 -26.442 -3.359 0.972
66 2HB TYR 8 1HB TYR 8 -28.002 -3.541 1.760
67 HD1 TYR 8 HD1 TYR 8 -26.167 -3.717 4.557
68 HD2 TYR 8 HD2 TYR 8 -26.890 -0.902 1.439
69 HE1 TYR 8 HE1 TYR 8 -25.588 -1.891 6.078
70 HE2 TYR 8 HE2 TYR 8 -26.309 0.933 2.965
71 HH TYR 8 HH TYR 8 -26.127 1.428 5.262
72 H GLU 9 H GLU 9 -26.064 -6.507 4.339
73 HA GLU 9 HA GLU 9 -28.674 -7.341 4.945
74 1HB GLU 9 2HB GLU 9 -27.440 -7.744 7.302
75 2HB GLU 9 1HB GLU 9 -27.216 -8.794 5.910
76 1HG GLU 9 2HG GLU 9 -25.121 -7.968 5.446
77 2HG GLU 9 1HG GLU 9 -25.420 -6.446 6.283
78 H ASN 10 H ASN 10 -29.664 -5.243 4.782
79 HA ASN 10 HA ASN 10 -31.135 -4.121 6.389
80 1HB ASN 10 2HB ASN 10 -30.197 -2.725 8.131
81 2HB ASN 10 1HB ASN 10 -29.627 -4.368 8.345
82 1HD2 ASN 10 2HD2 ASN 10 -26.364 -3.263 8.586
83 2HD2 ASN 10 1HD2 ASN 10 -27.631 -4.317 9.108
84 H TYR 11 H TYR 11 -31.995 -2.573 5.225
85 HA TYR 11 HA TYR 11 -30.801 -0.138 4.586
86 1HB TYR 11 2HB TYR 11 -29.391 -1.403 3.037
87 2HB TYR 11 1HB TYR 11 -30.815 -2.120 2.295
88 HD1 TYR 11 HD1 TYR 11 -32.327 -0.702 0.916
89 HD2 TYR 11 HD2 TYR 11 -28.638 0.765 2.442
90 HE1 TYR 11 HE1 TYR 11 -32.406 1.156 -0.694
91 HE2 TYR 11 HE2 TYR 11 -28.706 2.626 0.838
92 HH TYR 11 HH TYR 11 -29.839 3.618 -0.787
93 HA PRO 12 HA PRO 12 -35.156 0.549 3.957
94 1HB PRO 12 2HB PRO 12 -35.076 3.002 2.761
95 2HB PRO 12 1HB PRO 12 -34.816 2.755 4.492
96 1HG PRO 12 2HG PRO 12 -32.798 3.102 2.307
97 2HG PRO 12 1HG PRO 12 -32.835 3.835 3.922
98 1HD PRO 12 2HD PRO 12 -31.275 1.718 3.354
99 2HD PRO 12 1HD PRO 12 -32.035 1.921 4.946
100 H VAL 13 H VAL 13 -34.930 -1.280 2.314
101 HA VAL 13 HA VAL 13 -34.546 -0.873 -0.410
102 HB VAL 13 HB VAL 13 -36.631 -2.779 0.601
103 1HG1 VAL 13 2HG1 VAL 13 -34.588 -2.925 -1.610
104 2HG1 VAL 13 1HG1 VAL 13 -35.736 -4.199 -1.196
105 3HG1 VAL 13 3HG1 VAL 13 -36.319 -2.646 -1.798
106 1HG2 VAL 13 1HG2 VAL 13 -33.685 -2.851 1.073
107 2HG2 VAL 13 3HG2 VAL 13 -35.008 -3.317 2.144
108 3HG2 VAL 13 2HG2 VAL 13 -34.555 -4.360 0.796
109 H SER 14 H SER 14 -35.484 0.868 -1.337
110 HA SER 14 HA SER 14 -38.168 0.733 -2.152
111 1HB SER 14 2HB SER 14 -38.982 2.812 -0.959
112 2HB SER 14 1HB SER 14 -38.803 1.384 0.061
113 HG SER 14 HG SER 14 -36.651 2.280 0.559
114 H LYS 15 H LYS 15 -36.038 3.438 -1.206
115 HA LYS 15 HA LYS 15 -36.505 4.896 -3.579
116 1HB LYS 15 2HB LYS 15 -34.618 5.101 -1.285
117 2HB LYS 15 1HB LYS 15 -34.216 5.998 -2.742
118 1HG LYS 15 2HG LYS 15 -36.940 6.226 -1.531
119 2HG LYS 15 1HG LYS 15 -35.584 7.149 -0.881
120 1HD LYS 15 2HD LYS 15 -35.276 8.322 -2.893
121 2HD LYS 15 1HD LYS 15 -36.258 7.176 -3.807
122 1HE LYS 15 2HE LYS 15 -37.429 8.813 -1.582
123 2HE LYS 15 1HE LYS 15 -37.285 9.456 -3.217
124 1HZ LYS 15 1HZ LYS 15 -38.536 6.831 -2.853
125 2HZ LYS 15 3HZ LYS 15 -39.431 8.210 -2.450
126 3HZ LYS 15 2HZ LYS 15 -38.839 8.015 -4.022
127 H CYS 16 H CYS 16 -34.860 2.070 -3.188
128 HA CYS 16 HA CYS 16 -32.561 2.480 -4.788
129 1HB CYS 16 2HB CYS 16 -33.727 0.331 -3.338
130 2HB CYS 16 1HB CYS 16 -33.447 -0.246 -4.975
131 H GLN 17 H GLN 17 -33.345 3.677 -6.565
132 HA GLN 17 HA GLN 17 -34.356 1.983 -8.712
133 1HB GLN 17 2HB GLN 17 -35.671 4.569 -7.870
134 2HB GLN 17 1HB GLN 17 -35.974 3.769 -9.406
135 1HG GLN 17 2HG GLN 17 -36.551 1.719 -7.915
136 2HG GLN 17 1HG GLN 17 -36.747 2.932 -6.652
137 1HE2 GLN 17 2HE2 GLN 17 -39.960 3.666 -7.635
138 2HE2 GLN 17 1HE2 GLN 17 -38.765 3.527 -6.396
139 H LEU 18 H LEU 18 -31.831 3.453 -7.939
140 HA LEU 18 HA LEU 18 -31.161 4.338 -10.561
141 1HB LEU 18 2HB LEU 18 -30.423 6.588 -8.932
142 2HB LEU 18 1HB LEU 18 -31.374 6.564 -10.400
143 HG LEU 18 HG LEU 18 -33.415 6.310 -9.136
144 1HD1 LEU 18 3HD1 LEU 18 -31.657 5.393 -7.049
145 2HD1 LEU 18 2HD1 LEU 18 -32.651 6.722 -6.458
146 3HD1 LEU 18 1HD1 LEU 18 -33.414 5.301 -7.161
147 1HD2 LEU 18 1HD2 LEU 18 -32.369 8.559 -9.472
148 2HD2 LEU 18 3HD2 LEU 18 -33.486 8.454 -8.111
149 3HD2 LEU 18 2HD2 LEU 18 -31.746 8.444 -7.826
150 H ALA 19 H ALA 19 -29.088 3.921 -10.915
151 HA ALA 19 HA ALA 19 -27.449 2.654 -9.057
152 1HB ALA 19 3HB ALA 19 -27.222 2.552 -11.541
153 2HB ALA 19 2HB ALA 19 -26.501 4.160 -11.488
154 3HB ALA 19 1HB ALA 19 -25.701 2.810 -10.685
155 H ASN 20 H ASN 20 -27.768 4.181 -7.236
156 HA ASN 20 HA ASN 20 -25.446 5.827 -6.923
157 1HB ASN 20 2HB ASN 20 -27.009 7.346 -8.145
158 2HB ASN 20 1HB ASN 20 -28.142 7.194 -6.806
159 1HD2 ASN 20 2HD2 ASN 20 -24.591 9.095 -6.058
160 2HD2 ASN 20 1HD2 ASN 20 -24.640 7.700 -7.075
161 H GLN 21 H GLN 21 -27.959 7.058 -5.080
162 HA GLN 21 HA GLN 21 -27.523 6.952 -2.640
163 1HB GLN 21 2HB GLN 21 -29.870 5.549 -3.854
164 2HB GLN 21 1HB GLN 21 -29.679 5.547 -2.106
165 1HG GLN 21 2HG GLN 21 -31.097 7.388 -3.272
166 2HG GLN 21 1HG GLN 21 -30.042 7.800 -1.921
167 1HE2 GLN 21 2HE2 GLN 21 -27.820 9.732 -3.812
168 2HE2 GLN 21 1HE2 GLN 21 -28.060 8.839 -2.352
169 H CYS 22 H CYS 22 -28.723 3.726 -3.473
170 HA CYS 22 HA CYS 22 -27.442 2.418 -1.359
171 1HB CYS 22 2HB CYS 22 -29.302 1.350 -2.405
172 2HB CYS 22 1HB CYS 22 -28.528 1.403 -3.985
173 H ASN 23 H ASN 23 -26.574 2.466 -4.815
174 HA ASN 23 HA ASN 23 -24.238 0.995 -4.698
175 1HB ASN 23 2HB ASN 23 -25.340 1.797 -6.791
176 2HB ASN 23 1HB ASN 23 -24.730 3.414 -6.453
177 1HD2 ASN 23 2HD2 ASN 23 -22.056 2.599 -8.511
178 2HD2 ASN 23 1HD2 ASN 23 -23.481 3.545 -8.273
179 H TYR 24 H TYR 24 -24.377 4.556 -4.798
180 HA TYR 24 HA TYR 24 -21.746 5.058 -4.131
181 1HB TYR 24 2HB TYR 24 -22.694 7.050 -4.678
182 2HB TYR 24 1HB TYR 24 -24.273 6.572 -4.069
183 HD1 TYR 24 HD2 TYR 24 -20.960 7.008 -2.388
184 HD2 TYR 24 HD1 TYR 24 -25.038 8.200 -2.622
185 HE1 TYR 24 HE2 TYR 24 -20.642 8.455 -0.426
186 HE2 TYR 24 HE1 TYR 24 -24.731 9.652 -0.661
187 HH TYR 24 HH TYR 24 -22.536 10.872 0.403
188 H ASP 25 H ASP 25 -24.517 4.504 -1.999
189 HA ASP 25 HA ASP 25 -23.334 5.093 0.437
190 1HB ASP 25 2HB ASP 25 -25.556 3.283 -0.406
191 2HB ASP 25 1HB ASP 25 -24.961 3.161 1.246
192 H CYS 26 H CYS 26 -23.812 1.714 -0.658
193 HA CYS 26 HA CYS 26 -22.019 0.611 1.136
194 1HB CYS 26 2HB CYS 26 -23.393 -0.277 -1.260
195 2HB CYS 26 1HB CYS 26 -21.795 -1.007 -1.139
196 H LYS 27 H LYS 27 -21.408 2.205 -1.913
197 HA LYS 27 HA LYS 27 -18.763 1.393 -2.337
198 1HB LYS 27 2HB LYS 27 -20.310 2.733 -3.888
199 2HB LYS 27 1HB LYS 27 -19.767 4.150 -3.000
200 1HG LYS 27 2HG LYS 27 -17.468 3.701 -3.638
201 2HG LYS 27 1HG LYS 27 -17.971 2.232 -4.472
202 1HD LYS 27 2HD LYS 27 -17.718 3.893 -6.144
203 2HD LYS 27 1HD LYS 27 -19.452 3.683 -5.907
204 1HE LYS 27 2HE LYS 27 -19.708 5.742 -4.942
205 2HE LYS 27 1HE LYS 27 -18.065 5.772 -4.305
206 1HZ LYS 27 3HZ LYS 27 -17.924 5.748 -7.100
207 2HZ LYS 27 2HZ LYS 27 -19.029 6.948 -6.649
208 3HZ LYS 27 1HZ LYS 27 -17.452 6.978 -6.037
209 H LEU 28 H LEU 28 -19.894 2.876 0.362
210 HA LEU 28 HA LEU 28 -17.262 3.605 1.233
211 1HB LEU 28 2HB LEU 28 -17.883 5.584 -0.097
212 2HB LEU 28 1HB LEU 28 -19.300 5.808 0.912
213 HG LEU 28 HG LEU 28 -16.681 5.728 2.315
214 1HD1 LEU 28 3HD1 LEU 28 -17.477 7.900 0.410
215 2HD1 LEU 28 2HD1 LEU 28 -16.491 8.241 1.831
216 3HD1 LEU 28 1HD1 LEU 28 -15.912 7.112 0.607
217 1HD2 LEU 28 2HD2 LEU 28 -19.160 7.426 2.558
218 2HD2 LEU 28 1HD2 LEU 28 -18.718 6.058 3.577
219 3HD2 LEU 28 3HD2 LEU 28 -17.751 7.531 3.614
220 H ASP 29 H ASP 29 -20.683 3.360 1.778
221 HA ASP 29 HA ASP 29 -20.684 3.986 4.549
222 1HB ASP 29 2HB ASP 29 -22.605 2.512 2.754
223 2HB ASP 29 1HB ASP 29 -22.891 2.662 4.485
224 H LYS 30 H LYS 30 -20.781 0.882 2.804
225 HA LYS 30 HA LYS 30 -20.109 -0.524 5.285
226 1HB LYS 30 2HB LYS 30 -21.086 -1.447 2.587
227 2HB LYS 30 1HB LYS 30 -20.490 -2.573 3.799
228 1HG LYS 30 2HG LYS 30 -22.562 -0.658 4.685
229 2HG LYS 30 1HG LYS 30 -23.074 -1.914 3.555
230 1HD LYS 30 2HD LYS 30 -21.439 -2.679 5.931
231 2HD LYS 30 1HD LYS 30 -23.153 -2.320 6.150
232 1HE LYS 30 2HE LYS 30 -22.408 -4.761 5.666
233 2HE LYS 30 1HE LYS 30 -23.830 -4.108 4.853
234 1HZ LYS 30 3HZ LYS 30 -22.316 -3.548 2.962
235 2HZ LYS 30 2HZ LYS 30 -21.106 -4.445 3.733
236 3HZ LYS 30 1HZ LYS 30 -22.530 -5.205 3.230
237 H HIS 31 H HIS 31 -18.367 1.112 3.260
238 HA HIS 31 HA HIS 31 -16.202 1.098 2.575
239 1HB HIS 31 2HB HIS 31 -15.945 -1.332 4.356
240 2HB HIS 31 1HB HIS 31 -14.622 -0.344 3.747
241 HD1 HIS 31 HD1 HIS 31 -15.736 -0.892 6.815
242 HD2 HIS 31 HD2 HIS 31 -15.852 2.602 4.568
243 HE1 HIS 31 HE1 HIS 31 -15.912 0.978 8.489
244 HE2 HIS 31 HE2 HIS 31 -15.980 3.083 7.106
245 H ALA 32 H ALA 32 -18.198 -0.308 1.040
246 HA ALA 32 HA ALA 32 -16.872 -2.668 -0.007
247 1HB ALA 32 2HB ALA 32 -19.346 -2.557 0.259
248 2HB ALA 32 1HB ALA 32 -19.383 -1.336 -1.012
249 3HB ALA 32 3HB ALA 32 -18.821 -2.968 -1.374
250 H ARG 33 H ARG 33 -17.078 -2.732 -2.592
251 HA ARG 33 HA ARG 33 -15.395 -0.521 -3.517
252 1HB ARG 33 2HB ARG 33 -15.470 -3.352 -3.985
253 2HB ARG 33 1HB ARG 33 -15.638 -2.525 -5.524
254 1HG ARG 33 2HG ARG 33 -13.476 -1.792 -3.582
255 2HG ARG 33 1HG ARG 33 -13.289 -3.126 -4.721
256 1HD ARG 33 2HD ARG 33 -14.246 -0.576 -5.869
257 2HD ARG 33 1HD ARG 33 -12.589 -0.576 -5.269
258 HE ARG 33 HE ARG 33 -12.824 -2.847 -6.801
259 1HH1 ARG 33 1HH2 ARG 33 -13.221 0.577 -7.294
260 2HH1 ARG 33 2HH2 ARG 33 -12.724 0.529 -8.951
261 1HH2 ARG 33 2HH1 ARG 33 -12.162 -2.923 -8.982
262 2HH2 ARG 33 1HH1 ARG 33 -12.121 -1.463 -9.912
263 H SER 34 H SER 34 -18.485 -2.015 -4.012
264 HA SER 34 HA SER 34 -19.636 0.212 -5.241
265 1HB SER 34 2HB SER 34 -19.996 -0.783 -7.543
266 2HB SER 34 1HB SER 34 -18.348 -0.247 -7.211
267 HG SER 34 HG SER 34 -18.315 -2.297 -8.149
268 H GLY 35 H GLY 35 -21.681 -0.861 -6.712
269 1HA GLY 35 2HA GLY 35 -22.799 -3.251 -5.917
270 2HA GLY 35 1HA GLY 35 -23.234 -2.103 -4.664
271 H GLU 36 H GLU 36 -25.307 -3.107 -5.709
272 HA GLU 36 HA GLU 36 -26.708 -0.992 -6.915
273 1HB GLU 36 2HB GLU 36 -25.331 -1.859 -8.880
274 2HB GLU 36 1HB GLU 36 -26.304 -3.316 -8.790
275 1HG GLU 36 2HG GLU 36 -27.858 -2.352 -10.063
276 2HG GLU 36 1HG GLU 36 -28.099 -1.125 -8.822
277 H CYS 37 H CYS 37 -28.966 -1.470 -7.145
278 HA CYS 37 HA CYS 37 -29.781 -3.662 -5.428
279 1HB CYS 37 2HB CYS 37 -30.933 -1.098 -6.297
280 2HB CYS 37 1HB CYS 37 -32.108 -2.397 -6.126
281 H PHE 38 H PHE 38 -30.928 -5.433 -6.025
282 HA PHE 38 HA PHE 38 -32.024 -5.601 -8.721
283 1HB PHE 38 2HB PHE 38 -29.888 -7.474 -7.695
284 2HB PHE 38 1HB PHE 38 -30.877 -7.794 -9.114
285 HD1 PHE 38 HD1 PHE 38 -30.914 -5.678 -10.805
286 HD2 PHE 38 HD2 PHE 38 -27.787 -6.675 -8.095
287 HE1 PHE 38 HE1 PHE 38 -29.311 -4.451 -12.209
288 HE2 PHE 38 HE2 PHE 38 -26.178 -5.454 -9.497
289 HZ PHE 38 HZ PHE 38 -26.940 -4.335 -11.555
290 H TYR 39 H TYR 39 -33.512 -7.304 -9.027
291 HA TYR 39 HA TYR 39 -35.176 -7.867 -6.868
292 1HB TYR 39 2HB TYR 39 -34.888 -9.050 -9.603
293 2HB TYR 39 1HB TYR 39 -36.013 -9.756 -8.459
294 HD1 TYR 39 HD2 TYR 39 -35.963 -6.226 -7.923
295 HD2 TYR 39 HD1 TYR 39 -37.456 -9.221 -10.557
296 HE1 TYR 39 HE2 TYR 39 -37.691 -4.679 -8.699
297 HE2 TYR 39 HE1 TYR 39 -39.190 -7.669 -11.334
298 HH TYR 39 HH TYR 39 -39.428 -5.076 -11.443
299 H ASP 40 H ASP 40 -35.841 -10.431 -6.709
300 HA ASP 40 HA ASP 40 -33.707 -12.266 -6.494
301 1HB ASP 40 2HB ASP 40 -33.434 -12.414 -4.102
302 2HB ASP 40 1HB ASP 40 -33.139 -10.745 -4.582
303 H GLU 41 H GLU 41 -35.234 -13.432 -7.612
304 HA GLU 41 HA GLU 41 -37.184 -14.595 -7.944
305 1HB GLU 41 2HB GLU 41 -37.225 -16.488 -6.115
306 2HB GLU 41 1HB GLU 41 -35.925 -16.397 -7.292
307 1HG GLU 41 2HG GLU 41 -34.587 -15.138 -5.600
308 2HG GLU 41 1HG GLU 41 -35.863 -15.479 -4.431
309 H LYS 42 H LYS 42 -37.661 -12.177 -6.319
310 HA LYS 42 HA LYS 42 -40.243 -12.977 -5.252
311 1HB LYS 42 2HB LYS 42 -38.014 -11.853 -3.598
312 2HB LYS 42 1HB LYS 42 -39.657 -11.370 -3.225
313 1HG LYS 42 2HG LYS 42 -39.743 -14.172 -3.457
314 2HG LYS 42 1HG LYS 42 -38.272 -13.814 -2.558
315 1HD LYS 42 2HD LYS 42 -39.973 -14.062 -0.944
316 2HD LYS 42 1HD LYS 42 -39.698 -12.326 -1.082
317 1HE LYS 42 2HE LYS 42 -41.657 -12.099 -2.497
318 2HE LYS 42 1HE LYS 42 -41.898 -13.845 -2.482
319 1HZ LYS 42 2HZ LYS 42 -41.902 -13.364 0.115
320 2HZ LYS 42 1HZ LYS 42 -42.482 -11.869 -0.424
321 3HZ LYS 42 3HZ LYS 42 -43.307 -13.289 -0.825
322 H ARG 43 H ARG 43 -38.592 -11.094 -7.228
323 HA ARG 43 HA ARG 43 -39.054 -9.189 -8.377
324 1HB ARG 43 2HB ARG 43 -41.393 -10.081 -8.248
325 2HB ARG 43 1HB ARG 43 -41.636 -9.059 -6.837
326 1HG ARG 43 2HG ARG 43 -40.561 -7.412 -8.880
327 2HG ARG 43 1HG ARG 43 -41.848 -8.371 -9.609
328 1HD ARG 43 2HD ARG 43 -42.785 -6.337 -8.777
329 2HD ARG 43 1HD ARG 43 -43.340 -7.665 -7.760
330 HE ARG 43 HE ARG 43 -41.071 -6.637 -6.555
331 1HH1 ARG 43 1HH2 ARG 43 -44.254 -5.511 -7.414
332 2HH1 ARG 43 2HH2 ARG 43 -44.346 -4.377 -6.108
333 1HH2 ARG 43 2HH1 ARG 43 -41.183 -5.146 -4.834
334 2HH2 ARG 43 1HH1 ARG 43 -42.601 -4.170 -4.641
335 H ASN 44 H ASN 44 -38.557 -9.321 -5.131
336 HA ASN 44 HA ASN 44 -38.694 -6.424 -4.720
337 1HB ASN 44 2HB ASN 44 -38.592 -8.796 -2.939
338 2HB ASN 44 1HB ASN 44 -37.727 -7.374 -2.363
339 1HD2 ASN 44 2HD2 ASN 44 -41.759 -7.526 -2.330
340 2HD2 ASN 44 1HD2 ASN 44 -40.792 -8.799 -2.983
341 H LEU 45 H LEU 45 -36.928 -5.149 -4.428
342 HA LEU 45 HA LEU 45 -34.486 -6.107 -5.576
343 1HB LEU 45 2HB LEU 45 -35.131 -3.432 -4.341
344 2HB LEU 45 1HB LEU 45 -33.702 -3.800 -5.287
345 HG LEU 45 HG LEU 45 -35.142 -4.243 -7.250
346 1HD1 LEU 45 3HD1 LEU 45 -37.276 -3.599 -5.264
347 2HD1 LEU 45 2HD1 LEU 45 -37.514 -3.203 -6.965
348 3HD1 LEU 45 1HD1 LEU 45 -37.223 -4.874 -6.481
349 1HD2 LEU 45 3HD2 LEU 45 -35.380 -1.549 -5.922
350 2HD2 LEU 45 2HD2 LEU 45 -34.158 -2.077 -7.080
351 3HD2 LEU 45 1HD2 LEU 45 -35.830 -1.864 -7.598
352 H GLN 46 H GLN 46 -32.420 -5.915 -4.699
353 HA GLN 46 HA GLN 46 -32.137 -5.763 -1.801
354 1HB GLN 46 2HB GLN 46 -31.620 -8.176 -3.492
355 2HB GLN 46 1HB GLN 46 -30.518 -7.847 -2.163
356 1HG GLN 46 2HG GLN 46 -33.310 -7.661 -1.354
357 2HG GLN 46 1HG GLN 46 -32.902 -9.245 -2.007
358 1HE2 GLN 46 2HE2 GLN 46 -31.079 -7.942 1.421
359 2HE2 GLN 46 1HE2 GLN 46 -31.669 -6.809 0.258
360 H CYS 47 H CYS 47 -30.308 -4.719 -1.244
361 HA CYS 47 HA CYS 47 -28.729 -3.534 -3.308
362 1HB CYS 47 2HB CYS 47 -28.930 -3.310 -0.354
363 2HB CYS 47 1HB CYS 47 -27.408 -2.807 -1.084
364 H ILE 48 H ILE 48 -27.441 -4.958 -4.393
365 HA ILE 48 HA ILE 48 -25.763 -6.828 -2.931
366 HB ILE 48 HB ILE 48 -26.150 -6.306 -5.873
367 1HG1 ILE 48 2HG1 ILE 48 -26.888 -8.685 -5.836
368 2HG1 ILE 48 1HG1 ILE 48 -26.664 -8.696 -4.090
369 1HG2 ILE 48 2HG2 ILE 48 -24.020 -7.866 -4.475
370 2HG2 ILE 48 1HG2 ILE 48 -24.624 -8.410 -6.041
371 3HG2 ILE 48 3HG2 ILE 48 -23.896 -6.811 -5.883
372 1HD1 ILE 48 3HD1 ILE 48 -28.510 -6.779 -5.469
373 2HD1 ILE 48 2HD1 ILE 48 -29.019 -8.378 -4.927
374 3HD1 ILE 48 1HD1 ILE 48 -28.439 -7.194 -3.756
375 H CYS 49 H CYS 49 -24.028 -5.951 -1.937
376 HA CYS 49 HA CYS 49 -22.577 -3.773 -3.266
377 1HB CYS 49 2HB CYS 49 -22.106 -4.835 -0.483
378 2HB CYS 49 1HB CYS 49 -21.603 -3.282 -1.149
379 H ASP 50 H ASP 50 -20.852 -4.208 -4.435
380 HA ASP 50 HA ASP 50 -19.485 -6.769 -4.105
381 1HB ASP 50 2HB ASP 50 -20.263 -5.616 -6.367
382 2HB ASP 50 1HB ASP 50 -18.701 -4.816 -6.224
383 H TYR 51 H TYR 51 -17.558 -6.990 -3.223
384 HA TYR 51 HA TYR 51 -16.192 -4.607 -2.231
385 1HB TYR 51 2HB TYR 51 -16.098 -7.525 -1.557
386 2HB TYR 51 1HB TYR 51 -14.828 -6.438 -1.007
387 HD1 TYR 51 HD2 TYR 51 -18.461 -7.125 -0.822
388 HD2 TYR 51 HD1 TYR 51 -15.177 -5.009 0.859
389 HE1 TYR 51 HE2 TYR 51 -19.860 -6.499 1.094
390 HE2 TYR 51 HE1 TYR 51 -16.567 -4.374 2.785
391 HH TYR 51 HH TYR 51 -19.898 -5.544 3.113
392 H CYS 52 H CYS 52 -15.727 -7.326 -4.400
393 HA CYS 52 HA CYS 52 -13.364 -6.005 -5.484
394 1HB CYS 52 2HB CYS 52 -12.977 -8.917 -5.297
395 2HB CYS 52 1HB CYS 52 -11.855 -7.608 -4.959
396 H GLU 53 H GLU 53 -14.481 -9.302 -6.073
397 HA GLU 53 HA GLU 53 -16.296 -9.367 -7.928
398 1HB GLU 53 2HB GLU 53 -15.636 -7.609 -9.310
399 2HB GLU 53 1HB GLU 53 -13.928 -8.016 -9.183
400 1HG GLU 53 2HG GLU 53 -14.186 -9.867 -10.655
401 2HG GLU 53 1HG GLU 53 -15.942 -9.716 -10.624
402 H TYR 54 HN TYR 54 -13.235 -10.371 -6.913
403 HA TYR 54 HA TYR 54 -12.252 -12.283 -8.473
404 1HB TYR 54 2HB TYR 54 -12.813 -12.360 -5.526
405 2HB TYR 54 1HB TYR 54 -12.085 -13.752 -6.320
406 HD1 TYR 54 HD2 TYR 54 -11.405 -10.254 -7.289
407 HD2 TYR 54 HD1 TYR 54 -9.989 -13.666 -5.176
408 HE1 TYR 54 HE2 TYR 54 -9.194 -9.202 -7.082
409 HE2 TYR 54 HE1 TYR 54 -7.774 -12.621 -4.963
410 HH TYR 54 HH TYR 54 -7.149 -9.558 -5.238
No H/Q in entry = 410
Start of MODEL 10
1 HN PCA 1 HN PCA 1 -12.584 -12.606 -1.546
2 HA PCA 1 HA PCA 1 -10.989 -14.515 -2.068
3 1HB PCA 1 1HB PCA 1 -9.695 -15.162 -0.328
4 2HB PCA 1 2HB PCA 1 -11.126 -15.825 0.494
5 1HG PCA 1 1HG PCA 1 -9.699 -13.387 1.091
6 2HG PCA 1 2HG PCA 1 -11.151 -14.019 1.891
7 H ASP 2 H ASP 2 -13.457 -14.934 0.479
8 HA ASP 2 HA ASP 2 -14.546 -17.255 -0.825
9 1HB ASP 2 2HB ASP 2 -16.378 -16.616 1.108
10 2HB ASP 2 1HB ASP 2 -14.936 -17.589 1.383
11 H LYS 3 H LYS 3 -15.979 -14.104 0.075
12 HA LYS 3 HA LYS 3 -17.691 -14.308 -2.325
13 1HB LYS 3 2HB LYS 3 -18.546 -12.898 0.192
14 2HB LYS 3 1HB LYS 3 -19.538 -13.445 -1.154
15 1HG LYS 3 2HG LYS 3 -18.595 -15.810 -0.360
16 2HG LYS 3 1HG LYS 3 -18.498 -14.949 1.176
17 1HD LYS 3 2HD LYS 3 -20.976 -15.132 -0.539
18 2HD LYS 3 1HD LYS 3 -20.639 -16.161 0.854
19 1HE LYS 3 2HE LYS 3 -20.850 -13.154 0.930
20 2HE LYS 3 1HE LYS 3 -22.136 -14.270 1.387
21 1HZ LYS 3 2HZ LYS 3 -19.686 -14.857 2.727
22 2HZ LYS 3 1HZ LYS 3 -20.193 -13.273 3.031
23 3HZ LYS 3 3HZ LYS 3 -21.223 -14.572 3.373
24 H CYS 4 H CYS 4 -17.511 -12.693 -3.708
25 HA CYS 4 HA CYS 4 -15.924 -10.365 -2.974
26 1HB CYS 4 2HB CYS 4 -16.544 -11.819 -5.441
27 2HB CYS 4 1HB CYS 4 -16.568 -10.071 -5.645
28 H LYS 5 H LYS 5 -18.996 -11.029 -2.516
29 HA LYS 5 HA LYS 5 -19.819 -8.250 -2.854
30 1HB LYS 5 2HB LYS 5 -21.844 -8.729 -3.981
31 2HB LYS 5 1HB LYS 5 -20.593 -9.594 -4.861
32 1HG LYS 5 2HG LYS 5 -22.489 -10.798 -2.853
33 2HG LYS 5 1HG LYS 5 -22.600 -10.941 -4.608
34 1HD LYS 5 2HD LYS 5 -20.336 -12.008 -4.579
35 2HD LYS 5 1HD LYS 5 -20.432 -12.023 -2.818
36 1HE LYS 5 2HE LYS 5 -21.104 -14.175 -3.697
37 2HE LYS 5 1HE LYS 5 -22.489 -13.366 -2.963
38 1HZ LYS 5 3HZ LYS 5 -22.789 -12.548 -5.442
39 2HZ LYS 5 2HZ LYS 5 -21.974 -13.993 -5.768
40 3HZ LYS 5 1HZ LYS 5 -23.426 -14.020 -4.902
41 H LYS 6 H LYS 6 -21.713 -7.699 -1.560
42 HA LYS 6 HA LYS 6 -22.544 -9.628 0.442
43 1HB LYS 6 2HB LYS 6 -20.351 -8.218 1.071
44 2HB LYS 6 1HB LYS 6 -21.565 -7.048 1.563
45 1HG LYS 6 2HG LYS 6 -21.576 -8.123 3.525
46 2HG LYS 6 1HG LYS 6 -22.491 -9.379 2.695
47 1HD LYS 6 2HD LYS 6 -20.334 -10.493 2.128
48 2HD LYS 6 1HD LYS 6 -19.502 -9.281 3.102
49 1HE LYS 6 2HE LYS 6 -21.505 -10.252 4.780
50 2HE LYS 6 1HE LYS 6 -20.904 -11.682 3.944
51 1HZ LYS 6 3HZ LYS 6 -18.686 -10.184 4.685
52 2HZ LYS 6 2HZ LYS 6 -19.704 -10.225 6.035
53 3HZ LYS 6 1HZ LYS 6 -19.191 -11.669 5.321
54 H VAL 7 H VAL 7 -24.687 -9.415 0.608
55 HA VAL 7 HA VAL 7 -26.120 -7.237 -0.462
56 HB VAL 7 HB VAL 7 -28.092 -8.274 0.267
57 1HG1 VAL 7 1HG1 VAL 7 -26.723 -9.597 -1.349
58 2HG1 VAL 7 3HG1 VAL 7 -26.152 -10.564 0.010
59 3HG1 VAL 7 2HG1 VAL 7 -27.865 -10.555 -0.408
60 1HG2 VAL 7 1HG2 VAL 7 -26.406 -9.295 2.497
61 2HG2 VAL 7 3HG2 VAL 7 -28.006 -8.555 2.532
62 3HG2 VAL 7 2HG2 VAL 7 -27.823 -10.227 2.011
63 H TYR 8 H TYR 8 -27.028 -5.463 0.424
64 HA TYR 8 HA TYR 8 -25.836 -4.164 2.531
65 1HB TYR 8 2HB TYR 8 -27.132 -2.937 0.951
66 2HB TYR 8 1HB TYR 8 -28.592 -3.834 1.355
67 HD1 TYR 8 HD1 TYR 8 -29.723 -3.432 3.530
68 HD2 TYR 8 HD2 TYR 8 -26.443 -1.061 2.232
69 HE1 TYR 8 HE1 TYR 8 -30.321 -1.715 5.180
70 HE2 TYR 8 HE2 TYR 8 -27.025 0.667 3.883
71 HH TYR 8 HH TYR 8 -29.673 0.185 6.184
72 H GLU 9 H GLU 9 -27.744 -6.850 2.805
73 HA GLU 9 HA GLU 9 -28.232 -8.029 4.727
74 1HB GLU 9 2HB GLU 9 -28.247 -5.449 6.300
75 2HB GLU 9 1HB GLU 9 -28.263 -7.083 6.922
76 1HG GLU 9 2HG GLU 9 -26.010 -7.437 5.958
77 2HG GLU 9 1HG GLU 9 -25.976 -5.738 5.506
78 H ASN 10 H ASN 10 -29.903 -6.007 2.972
79 HA ASN 10 HA ASN 10 -32.210 -6.489 2.548
80 1HB ASN 10 2HB ASN 10 -32.501 -7.782 4.668
81 2HB ASN 10 1HB ASN 10 -32.644 -6.250 5.531
82 1HD2 ASN 10 2HD2 ASN 10 -36.060 -7.200 5.001
83 2HD2 ASN 10 1HD2 ASN 10 -34.704 -7.578 6.004
84 H TYR 11 H TYR 11 -31.539 -4.409 1.621
85 HA TYR 11 HA TYR 11 -31.705 -1.947 2.900
86 1HB TYR 11 2HB TYR 11 -31.084 -2.678 0.414
87 2HB TYR 11 1HB TYR 11 -32.750 -2.208 0.105
88 HD1 TYR 11 HD2 TYR 11 -29.452 -0.999 1.217
89 HD2 TYR 11 HD1 TYR 11 -33.384 0.098 0.038
90 HE1 TYR 11 HE2 TYR 11 -28.727 1.341 1.026
91 HE2 TYR 11 HE1 TYR 11 -32.674 2.443 -0.165
92 HH TYR 11 HH TYR 11 -29.361 3.375 -0.077
93 HA PRO 12 HA PRO 12 -35.996 -1.556 3.988
94 1HB PRO 12 2HB PRO 12 -36.336 1.168 3.645
95 2HB PRO 12 1HB PRO 12 -35.616 0.416 5.070
96 1HG PRO 12 2HG PRO 12 -34.274 1.655 2.705
97 2HG PRO 12 1HG PRO 12 -33.857 1.777 4.425
98 1HD PRO 12 2HD PRO 12 -32.506 0.170 2.776
99 2HD PRO 12 1HD PRO 12 -32.831 -0.301 4.450
100 H VAL 13 H VAL 13 -35.451 -2.353 1.302
101 HA VAL 13 HA VAL 13 -36.173 -1.849 -0.953
102 HB VAL 13 HB VAL 13 -38.327 -3.143 0.685
103 1HG1 VAL 13 1HG1 VAL 13 -38.216 -2.515 -2.190
104 2HG1 VAL 13 3HG1 VAL 13 -38.682 -4.169 -1.797
105 3HG1 VAL 13 2HG1 VAL 13 -39.606 -2.815 -1.149
106 1HG2 VAL 13 1HG2 VAL 13 -35.936 -4.109 0.482
107 2HG2 VAL 13 3HG2 VAL 13 -37.314 -5.180 0.233
108 3HG2 VAL 13 2HG2 VAL 13 -36.431 -4.543 -1.154
109 H SER 14 H SER 14 -36.343 0.436 -1.047
110 HA SER 14 HA SER 14 -38.876 1.358 -1.831
111 1HB SER 14 2HB SER 14 -39.647 2.650 -0.091
112 2HB SER 14 1HB SER 14 -38.871 1.360 0.826
113 HG SER 14 HG SER 14 -38.378 3.863 1.075
114 H LYS 15 H LYS 15 -35.895 1.334 -2.384
115 HA LYS 15 HA LYS 15 -35.770 3.776 -3.782
116 1HB LYS 15 2HB LYS 15 -34.641 3.742 -1.060
117 2HB LYS 15 1HB LYS 15 -33.510 4.300 -2.281
118 1HG LYS 15 2HG LYS 15 -35.515 5.839 -2.997
119 2HG LYS 15 1HG LYS 15 -36.056 5.530 -1.348
120 1HD LYS 15 2HD LYS 15 -34.011 6.413 -0.453
121 2HD LYS 15 1HD LYS 15 -33.319 6.563 -2.070
122 1HE LYS 15 2HE LYS 15 -35.853 7.979 -1.313
123 2HE LYS 15 1HE LYS 15 -34.274 8.674 -0.955
124 1HZ LYS 15 1HZ LYS 15 -35.021 7.792 -3.680
125 2HZ LYS 15 3HZ LYS 15 -35.355 9.353 -3.119
126 3HZ LYS 15 2HZ LYS 15 -33.755 8.816 -3.221
127 H CYS 16 H CYS 16 -35.066 2.732 -5.533
128 HA CYS 16 HA CYS 16 -32.344 1.991 -5.744
129 1HB CYS 16 2HB CYS 16 -34.242 -0.106 -5.037
130 2HB CYS 16 1HB CYS 16 -33.355 -0.482 -6.510
131 H GLN 17 H GLN 17 -35.145 3.026 -7.047
132 HA GLN 17 HA GLN 17 -34.923 1.943 -9.691
133 1HB GLN 17 2HB GLN 17 -36.555 4.199 -8.533
134 2HB GLN 17 1HB GLN 17 -36.639 3.715 -10.223
135 1HG GLN 17 2HG GLN 17 -37.665 1.722 -9.746
136 2HG GLN 17 1HG GLN 17 -37.026 1.667 -8.103
137 1HE2 GLN 17 2HE2 GLN 17 -40.072 4.337 -8.661
138 2HE2 GLN 17 1HE2 GLN 17 -38.726 4.291 -9.743
139 H LEU 18 H LEU 18 -32.491 2.818 -9.168
140 HA LEU 18 HA LEU 18 -31.987 4.729 -11.213
141 1HB LEU 18 2HB LEU 18 -31.618 5.531 -8.332
142 2HB LEU 18 1HB LEU 18 -30.619 6.216 -9.598
143 HG LEU 18 HG LEU 18 -33.127 6.616 -10.615
144 1HD1 LEU 18 3HD1 LEU 18 -33.855 5.848 -8.191
145 2HD1 LEU 18 2HD1 LEU 18 -33.482 7.527 -7.810
146 3HD1 LEU 18 1HD1 LEU 18 -34.687 7.148 -9.040
147 1HD2 LEU 18 1HD2 LEU 18 -31.404 8.417 -8.932
148 2HD2 LEU 18 3HD2 LEU 18 -31.463 8.301 -10.691
149 3HD2 LEU 18 2HD2 LEU 18 -32.829 8.980 -9.806
150 H ALA 19 H ALA 19 -29.610 5.018 -8.872
151 HA ALA 19 HA ALA 19 -28.208 2.697 -8.754
152 1HB ALA 19 1HB ALA 19 -28.007 3.935 -11.449
153 2HB ALA 19 3HB ALA 19 -26.556 3.209 -10.758
154 3HB ALA 19 2HB ALA 19 -28.007 2.234 -10.983
155 H ASN 20 H ASN 20 -28.428 4.936 -7.212
156 HA ASN 20 HA ASN 20 -25.645 5.862 -7.127
157 1HB ASN 20 2HB ASN 20 -26.805 7.673 -8.179
158 2HB ASN 20 1HB ASN 20 -28.100 7.610 -6.987
159 1HD2 ASN 20 2HD2 ASN 20 -24.534 8.823 -5.428
160 2HD2 ASN 20 1HD2 ASN 20 -24.662 7.353 -6.327
161 H GLN 21 H GLN 21 -28.683 6.315 -5.278
162 HA GLN 21 HA GLN 21 -27.694 6.699 -2.798
163 1HB GLN 21 2HB GLN 21 -30.111 6.561 -3.365
164 2HB GLN 21 1HB GLN 21 -29.976 4.808 -3.403
165 1HG GLN 21 2HG GLN 21 -30.892 5.359 -1.308
166 2HG GLN 21 1HG GLN 21 -29.208 4.928 -1.009
167 1HE2 GLN 21 2HE2 GLN 21 -29.072 8.863 -1.139
168 2HE2 GLN 21 1HE2 GLN 21 -29.076 7.802 -2.503
169 H CYS 22 H CYS 22 -28.678 3.401 -3.713
170 HA CYS 22 HA CYS 22 -27.148 2.160 -1.711
171 1HB CYS 22 2HB CYS 22 -28.610 1.231 -4.136
172 2HB CYS 22 1HB CYS 22 -27.493 0.113 -3.357
173 H ASN 23 H ASN 23 -26.489 2.652 -5.166
174 HA ASN 23 HA ASN 23 -24.159 1.208 -5.439
175 1HB ASN 23 2HB ASN 23 -25.479 2.622 -7.175
176 2HB ASN 23 1HB ASN 23 -24.415 3.934 -6.679
177 1HD2 ASN 23 2HD2 ASN 23 -22.556 2.719 -9.428
178 2HD2 ASN 23 1HD2 ASN 23 -23.799 3.825 -8.962
179 H TYR 24 H TYR 24 -24.189 4.732 -4.893
180 HA TYR 24 HA TYR 24 -21.529 5.020 -4.236
181 1HB TYR 24 2HB TYR 24 -22.344 7.127 -4.332
182 2HB TYR 24 1HB TYR 24 -23.967 6.598 -3.913
183 HD1 TYR 24 HD1 TYR 24 -20.723 6.630 -2.063
184 HD2 TYR 24 HD2 TYR 24 -24.796 7.846 -2.169
185 HE1 TYR 24 HE1 TYR 24 -20.473 7.637 0.162
186 HE2 TYR 24 HE2 TYR 24 -24.559 8.858 0.054
187 HH TYR 24 HH TYR 24 -21.430 8.942 1.714
188 H ASP 25 H ASP 25 -24.262 4.458 -1.992
189 HA ASP 25 HA ASP 25 -22.973 4.455 0.408
190 1HB ASP 25 2HB ASP 25 -25.238 2.845 -0.679
191 2HB ASP 25 1HB ASP 25 -24.549 2.337 0.858
192 H CYS 26 H CYS 26 -23.279 1.577 -1.703
193 HA CYS 26 HA CYS 26 -21.528 -0.040 -0.224
194 1HB CYS 26 2HB CYS 26 -22.098 -0.098 -3.200
195 2HB CYS 26 1HB CYS 26 -21.305 -1.383 -2.294
196 H LYS 27 H LYS 27 -20.964 2.132 -2.960
197 HA LYS 27 HA LYS 27 -18.235 1.679 -3.332
198 1HB LYS 27 2HB LYS 27 -19.995 3.147 -4.646
199 2HB LYS 27 1HB LYS 27 -19.355 4.436 -3.637
200 1HG LYS 27 2HG LYS 27 -17.173 4.165 -4.525
201 2HG LYS 27 1HG LYS 27 -17.623 2.665 -5.340
202 1HD LYS 27 2HD LYS 27 -18.957 3.799 -6.915
203 2HD LYS 27 1HD LYS 27 -18.968 5.282 -5.958
204 1HE LYS 27 2HE LYS 27 -17.484 5.337 -7.978
205 2HE LYS 27 1HE LYS 27 -16.681 5.714 -6.454
206 1HZ LYS 27 3HZ LYS 27 -16.352 3.048 -6.638
207 2HZ LYS 27 2HZ LYS 27 -16.253 3.510 -8.262
208 3HZ LYS 27 1HZ LYS 27 -15.206 4.196 -7.125
209 H LEU 28 H LEU 28 -19.664 2.591 -0.571
210 HA LEU 28 HA LEU 28 -17.240 3.414 0.674
211 1HB LEU 28 2HB LEU 28 -18.276 5.517 -0.478
212 2HB LEU 28 1HB LEU 28 -19.427 5.461 0.843
213 HG LEU 28 HG LEU 28 -17.323 5.445 2.367
214 1HD1 LEU 28 1HD1 LEU 28 -16.183 6.528 -0.205
215 2HD1 LEU 28 3HD1 LEU 28 -15.422 6.672 1.380
216 3HD1 LEU 28 2HD1 LEU 28 -15.659 5.081 0.656
217 1HD2 LEU 28 1HD2 LEU 28 -18.976 7.274 2.163
218 2HD2 LEU 28 3HD2 LEU 28 -17.334 7.853 2.447
219 3HD2 LEU 28 2HD2 LEU 28 -18.033 7.938 0.830
220 H ASP 29 H ASP 29 -19.309 4.956 2.540
221 HA ASP 29 HA ASP 29 -20.057 4.388 4.649
222 1HB ASP 29 2HB ASP 29 -21.848 3.054 2.653
223 2HB ASP 29 1HB ASP 29 -22.182 2.906 4.373
224 H LYS 30 H LYS 30 -20.433 1.276 2.940
225 HA LYS 30 HA LYS 30 -19.556 -0.141 5.317
226 1HB LYS 30 2HB LYS 30 -20.727 -0.950 2.671
227 2HB LYS 30 1HB LYS 30 -19.965 -2.149 3.704
228 1HG LYS 30 2HG LYS 30 -22.406 -2.048 3.967
229 2HG LYS 30 1HG LYS 30 -21.537 -1.713 5.465
230 1HD LYS 30 2HD LYS 30 -22.246 0.445 5.553
231 2HD LYS 30 1HD LYS 30 -22.208 0.640 3.800
232 1HE LYS 30 2HE LYS 30 -24.266 -1.169 4.948
233 2HE LYS 30 1HE LYS 30 -24.486 0.571 5.148
234 1HZ LYS 30 1HZ LYS 30 -24.016 0.650 2.642
235 2HZ LYS 30 3HZ LYS 30 -24.377 -1.002 2.658
236 3HZ LYS 30 2HZ LYS 30 -25.537 0.123 3.157
237 H HIS 31 H HIS 31 -18.098 1.301 2.722
238 HA HIS 31 HA HIS 31 -15.894 1.363 2.117
239 1HB HIS 31 2HB HIS 31 -15.271 -1.161 3.594
240 2HB HIS 31 1HB HIS 31 -14.270 0.266 3.349
241 HD1 HIS 31 HD1 HIS 31 -15.396 -1.324 6.074
242 HD2 HIS 31 HD2 HIS 31 -16.187 2.518 4.707
243 HE1 HIS 31 HE1 HIS 31 -16.121 -0.026 8.102
244 HE2 HIS 31 HE2 HIS 31 -16.706 2.264 7.228
245 H ALA 32 H ALA 32 -17.916 0.014 0.578
246 HA ALA 32 HA ALA 32 -16.580 -2.342 -0.500
247 1HB ALA 32 3HB ALA 32 -19.247 -1.638 -0.246
248 2HB ALA 32 2HB ALA 32 -18.935 -1.456 -1.972
249 3HB ALA 32 1HB ALA 32 -18.614 -2.995 -1.176
250 H ARG 33 H ARG 33 -16.869 -2.394 -3.078
251 HA ARG 33 HA ARG 33 -15.295 -0.114 -4.051
252 1HB ARG 33 2HB ARG 33 -15.738 -2.880 -5.187
253 2HB ARG 33 1HB ARG 33 -14.784 -1.628 -5.972
254 1HG ARG 33 2HG ARG 33 -13.337 -1.588 -3.916
255 2HG ARG 33 1HG ARG 33 -14.206 -3.024 -3.373
256 1HD ARG 33 2HD ARG 33 -13.558 -3.862 -5.814
257 2HD ARG 33 1HD ARG 33 -12.249 -2.703 -5.585
258 HE ARG 33 HE ARG 33 -12.578 -5.235 -4.263
259 1HH1 ARG 33 1HH2 ARG 33 -11.134 -2.073 -4.074
260 2HH1 ARG 33 2HH2 ARG 33 -9.871 -2.572 -2.998
261 1HH2 ARG 33 2HH1 ARG 33 -10.913 -5.904 -2.850
262 2HH2 ARG 33 1HH1 ARG 33 -9.745 -4.747 -2.303
263 H SER 34 H SER 34 -18.300 -1.798 -4.444
264 HA SER 34 HA SER 34 -19.575 0.340 -5.740
265 1HB SER 34 2HB SER 34 -19.902 -0.531 -7.974
266 2HB SER 34 1HB SER 34 -18.170 -0.442 -7.659
267 HG SER 34 HG SER 34 -18.206 -2.462 -8.243
268 H GLY 35 H GLY 35 -21.490 -1.158 -7.234
269 1HA GLY 35 2HA GLY 35 -22.545 -3.410 -6.088
270 2HA GLY 35 1HA GLY 35 -23.091 -2.102 -5.050
271 H GLU 36 H GLU 36 -25.128 -3.251 -5.941
272 HA GLU 36 HA GLU 36 -26.470 -1.434 -7.600
273 1HB GLU 36 2HB GLU 36 -24.913 -3.034 -9.144
274 2HB GLU 36 1HB GLU 36 -26.387 -3.990 -9.096
275 1HG GLU 36 2HG GLU 36 -27.639 -1.996 -9.875
276 2HG GLU 36 1HG GLU 36 -26.103 -1.147 -10.039
277 H CYS 37 H CYS 37 -28.713 -2.049 -7.974
278 HA CYS 37 HA CYS 37 -29.669 -3.765 -5.837
279 1HB CYS 37 2HB CYS 37 -31.335 -2.137 -7.752
280 2HB CYS 37 1HB CYS 37 -31.806 -2.757 -6.173
281 H PHE 38 H PHE 38 -31.072 -5.503 -6.100
282 HA PHE 38 HA PHE 38 -31.480 -6.499 -8.833
283 1HB PHE 38 2HB PHE 38 -29.993 -7.878 -6.625
284 2HB PHE 38 1HB PHE 38 -30.912 -8.838 -7.778
285 HD1 PHE 38 HD2 PHE 38 -28.104 -6.477 -7.408
286 HD2 PHE 38 HD1 PHE 38 -30.135 -9.188 -9.984
287 HE1 PHE 38 HE2 PHE 38 -26.219 -6.383 -8.988
288 HE2 PHE 38 HE1 PHE 38 -28.255 -9.100 -11.569
289 HZ PHE 38 HZ PHE 38 -26.293 -7.697 -11.070
290 H TYR 39 H TYR 39 -33.452 -7.342 -9.149
291 HA TYR 39 HA TYR 39 -35.267 -7.433 -6.884
292 1HB TYR 39 2HB TYR 39 -35.676 -7.528 -9.862
293 2HB TYR 39 1HB TYR 39 -36.984 -7.874 -8.735
294 HD1 TYR 39 HD1 TYR 39 -34.524 -5.263 -9.692
295 HD2 TYR 39 HD2 TYR 39 -38.221 -6.121 -7.759
296 HE1 TYR 39 HE1 TYR 39 -34.974 -2.854 -9.498
297 HE2 TYR 39 HE2 TYR 39 -38.678 -3.711 -7.564
298 HH TYR 39 HH TYR 39 -36.487 -1.394 -7.791
299 H ASP 40 H ASP 40 -36.280 -9.229 -6.112
300 HA ASP 40 HA ASP 40 -35.165 -11.787 -6.970
301 1HB ASP 40 2HB ASP 40 -36.504 -12.569 -4.871
302 2HB ASP 40 1HB ASP 40 -35.021 -11.646 -4.646
303 H GLU 41 H GLU 41 -36.322 -11.707 -8.937
304 HA GLU 41 HA GLU 41 -38.275 -11.785 -10.206
305 1HB GLU 41 2HB GLU 41 -38.969 -14.330 -9.974
306 2HB GLU 41 1HB GLU 41 -37.427 -13.854 -10.667
307 1HG GLU 41 2HG GLU 41 -36.317 -14.257 -8.555
308 2HG GLU 41 1HG GLU 41 -37.859 -14.667 -7.803
309 H LYS 42 H LYS 42 -39.158 -10.428 -8.009
310 HA LYS 42 HA LYS 42 -41.858 -11.509 -7.716
311 1HB LYS 42 2HB LYS 42 -39.965 -10.922 -5.478
312 2HB LYS 42 1HB LYS 42 -41.685 -10.630 -5.244
313 1HG LYS 42 2HG LYS 42 -42.195 -12.928 -5.730
314 2HG LYS 42 1HG LYS 42 -40.509 -13.251 -6.137
315 1HD LYS 42 2HD LYS 42 -41.075 -14.055 -3.899
316 2HD LYS 42 1HD LYS 42 -39.848 -12.791 -3.848
317 1HE LYS 42 2HE LYS 42 -42.661 -11.903 -3.616
318 2HE LYS 42 1HE LYS 42 -42.014 -12.815 -2.253
319 1HZ LYS 42 1HZ LYS 42 -40.031 -11.090 -2.708
320 2HZ LYS 42 3HZ LYS 42 -41.357 -10.148 -3.170
321 3HZ LYS 42 2HZ LYS 42 -41.289 -10.806 -1.614
322 H ARG 43 H ARG 43 -39.947 -8.789 -6.435
323 HA ARG 43 HA ARG 43 -40.804 -6.747 -8.011
324 1HB ARG 43 2HB ARG 43 -42.880 -7.541 -6.030
325 2HB ARG 43 1HB ARG 43 -42.589 -5.821 -6.211
326 1HG ARG 43 2HG ARG 43 -42.844 -6.986 -8.821
327 2HG ARG 43 1HG ARG 43 -44.203 -7.502 -7.827
328 1HD ARG 43 2HD ARG 43 -43.319 -4.636 -8.146
329 2HD ARG 43 1HD ARG 43 -44.596 -5.394 -9.098
330 HE ARG 43 HE ARG 43 -45.385 -5.844 -6.552
331 1HH1 ARG 43 1HH2 ARG 43 -44.403 -2.980 -8.274
332 2HH1 ARG 43 2HH2 ARG 43 -45.395 -1.916 -7.332
333 1HH2 ARG 43 2HH1 ARG 43 -46.695 -4.453 -5.305
334 2HH2 ARG 43 1HH1 ARG 43 -46.696 -2.754 -5.641
335 H ASN 44 H ASN 44 -39.867 -7.946 -4.946
336 HA ASN 44 HA ASN 44 -39.026 -5.344 -3.950
337 1HB ASN 44 2HB ASN 44 -38.840 -8.148 -2.831
338 2HB ASN 44 1HB ASN 44 -38.109 -6.756 -2.037
339 1HD2 ASN 44 2HD2 ASN 44 -41.547 -7.505 -0.726
340 2HD2 ASN 44 1HD2 ASN 44 -40.159 -8.489 -1.027
341 H LEU 45 H LEU 45 -36.634 -5.342 -3.057
342 HA LEU 45 HA LEU 45 -34.839 -6.849 -4.775
343 1HB LEU 45 2HB LEU 45 -33.646 -4.736 -5.450
344 2HB LEU 45 1HB LEU 45 -35.189 -5.036 -6.224
345 HG LEU 45 HG LEU 45 -34.886 -2.672 -5.626
346 1HD1 LEU 45 3HD1 LEU 45 -37.135 -4.032 -5.491
347 2HD1 LEU 45 2HD1 LEU 45 -37.017 -3.604 -3.784
348 3HD1 LEU 45 1HD1 LEU 45 -37.051 -2.337 -5.010
349 1HD2 LEU 45 1HD2 LEU 45 -33.544 -3.336 -3.513
350 2HD2 LEU 45 3HD2 LEU 45 -34.553 -1.891 -3.485
351 3HD2 LEU 45 2HD2 LEU 45 -35.127 -3.381 -2.736
352 H GLN 46 H GLN 46 -32.537 -6.310 -4.357
353 HA GLN 46 HA GLN 46 -32.028 -5.445 -1.601
354 1HB GLN 46 2HB GLN 46 -30.870 -7.959 -2.833
355 2HB GLN 46 1HB GLN 46 -30.506 -7.328 -1.232
356 1HG GLN 46 2HG GLN 46 -32.457 -8.071 -0.338
357 2HG GLN 46 1HG GLN 46 -33.347 -7.890 -1.849
358 1HE2 GLN 46 2HE2 GLN 46 -32.684 -11.499 -0.885
359 2HE2 GLN 46 1HE2 GLN 46 -33.181 -10.135 0.052
360 H CYS 47 H CYS 47 -30.106 -4.398 -1.327
361 HA CYS 47 HA CYS 47 -28.754 -3.595 -3.778
362 1HB CYS 47 2HB CYS 47 -28.670 -2.517 -0.962
363 2HB CYS 47 1HB CYS 47 -27.695 -1.879 -2.282
364 H ILE 48 H ILE 48 -27.265 -5.003 -4.393
365 HA ILE 48 HA ILE 48 -25.591 -6.380 -2.487
366 HB ILE 48 HB ILE 48 -25.585 -6.419 -5.503
367 1HG1 ILE 48 2HG1 ILE 48 -26.654 -8.377 -3.456
368 2HG1 ILE 48 1HG1 ILE 48 -27.617 -7.370 -4.533
369 1HG2 ILE 48 3HG2 ILE 48 -24.033 -8.050 -3.502
370 2HG2 ILE 48 2HG2 ILE 48 -24.196 -8.475 -5.206
371 3HG2 ILE 48 1HG2 ILE 48 -23.389 -6.976 -4.745
372 1HD1 ILE 48 3HD1 ILE 48 -26.048 -8.703 -6.301
373 2HD1 ILE 48 2HD1 ILE 48 -26.266 -9.910 -5.034
374 3HD1 ILE 48 1HD1 ILE 48 -27.672 -9.191 -5.819
375 H CYS 49 H CYS 49 -23.763 -5.597 -1.718
376 HA CYS 49 HA CYS 49 -22.444 -3.380 -3.090
377 1HB CYS 49 2HB CYS 49 -21.978 -4.611 -0.364
378 2HB CYS 49 1HB CYS 49 -21.072 -3.246 -1.009
379 H ASP 50 H ASP 50 -20.904 -3.845 -4.513
380 HA ASP 50 HA ASP 50 -19.583 -6.437 -4.413
381 1HB ASP 50 2HB ASP 50 -19.927 -4.305 -6.472
382 2HB ASP 50 1HB ASP 50 -18.529 -5.368 -6.611
383 H TYR 51 H TYR 51 -17.731 -6.736 -3.482
384 HA TYR 51 HA TYR 51 -16.030 -4.451 -2.814
385 1HB TYR 51 2HB TYR 51 -16.242 -7.275 -1.800
386 2HB TYR 51 1HB TYR 51 -14.863 -6.255 -1.397
387 HD1 TYR 51 HD1 TYR 51 -18.486 -6.728 -0.969
388 HD2 TYR 51 HD2 TYR 51 -15.086 -4.436 0.167
389 HE1 TYR 51 HE1 TYR 51 -19.773 -5.745 0.879
390 HE2 TYR 51 HE2 TYR 51 -16.365 -3.449 2.021
391 HH TYR 51 HH TYR 51 -18.639 -4.431 3.418
392 H CYS 52 H CYS 52 -16.308 -6.109 -5.441
393 HA CYS 52 HA CYS 52 -13.431 -6.194 -5.961
394 1HB CYS 52 2HB CYS 52 -15.318 -8.457 -6.646
395 2HB CYS 52 1HB CYS 52 -13.627 -8.358 -7.122
396 H GLU 53 H GLU 53 -15.534 -7.710 -8.202
397 HA GLU 53 HA GLU 53 -16.033 -7.201 -10.368
398 1HB GLU 53 2HB GLU 53 -16.916 -4.782 -8.825
399 2HB GLU 53 1HB GLU 53 -17.117 -4.848 -10.571
400 1HG GLU 53 2HG GLU 53 -18.102 -7.150 -8.985
401 2HG GLU 53 1HG GLU 53 -19.011 -5.643 -8.901
402 H TYR 54 HN TYR 54 -15.348 -3.835 -9.744
403 HA TYR 54 HA TYR 54 -12.725 -3.994 -10.976
404 1HB TYR 54 2HB TYR 54 -14.972 -2.419 -12.246
405 2HB TYR 54 1HB TYR 54 -13.286 -2.384 -12.752
406 HD1 TYR 54 HD1 TYR 54 -12.248 -4.589 -13.549
407 HD2 TYR 54 HD2 TYR 54 -16.442 -4.002 -13.139
408 HE1 TYR 54 HE1 TYR 54 -12.655 -6.488 -15.057
409 HE2 TYR 54 HE2 TYR 54 -16.860 -5.902 -14.646
410 HH TYR 54 HH TYR 54 -15.707 -7.925 -15.425
No H/Q in entry = 410
Start of MODEL 11
1 HN PCA 1 HN PCA 1 -16.697 -16.026 3.357
2 HA PCA 1 HA PCA 1 -14.779 -17.670 3.206
3 1HB PCA 1 1HB PCA 1 -15.389 -19.705 2.426
4 2HB PCA 1 2HB PCA 1 -15.535 -19.014 0.795
5 1HG PCA 1 1HG PCA 1 -17.656 -19.824 2.548
6 2HG PCA 1 2HG PCA 1 -17.810 -19.003 0.984
7 H ASP 2 H ASP 2 -16.289 -17.111 0.019
8 HA ASP 2 HA ASP 2 -14.291 -15.051 -0.556
9 1HB ASP 2 2HB ASP 2 -14.043 -16.198 -2.877
10 2HB ASP 2 1HB ASP 2 -13.130 -16.830 -1.511
11 H LYS 3 H LYS 3 -16.986 -14.662 -0.019
12 HA LYS 3 HA LYS 3 -18.460 -14.472 -2.486
13 1HB LYS 3 2HB LYS 3 -19.037 -13.378 0.274
14 2HB LYS 3 1HB LYS 3 -20.151 -13.298 -1.084
15 1HG LYS 3 2HG LYS 3 -19.076 -15.945 -0.228
16 2HG LYS 3 1HG LYS 3 -20.373 -15.186 0.697
17 1HD LYS 3 2HD LYS 3 -21.783 -15.097 -1.247
18 2HD LYS 3 1HD LYS 3 -20.469 -15.662 -2.279
19 1HE LYS 3 2HE LYS 3 -20.947 -17.496 -0.079
20 2HE LYS 3 1HE LYS 3 -22.410 -17.236 -1.027
21 1HZ LYS 3 1HZ LYS 3 -20.637 -17.579 -2.969
22 2HZ LYS 3 3HZ LYS 3 -19.922 -18.537 -1.773
23 3HZ LYS 3 2HZ LYS 3 -21.505 -18.853 -2.276
24 H CYS 4 H CYS 4 -18.286 -12.899 -3.922
25 HA CYS 4 HA CYS 4 -16.881 -10.446 -3.189
26 1HB CYS 4 2HB CYS 4 -16.912 -12.087 -5.492
27 2HB CYS 4 1HB CYS 4 -17.588 -10.535 -5.977
28 H LYS 5 H LYS 5 -19.917 -11.315 -2.868
29 HA LYS 5 HA LYS 5 -20.875 -8.615 -3.264
30 1HB LYS 5 2HB LYS 5 -22.580 -9.008 -4.749
31 2HB LYS 5 1HB LYS 5 -21.373 -10.131 -5.351
32 1HG LYS 5 2HG LYS 5 -23.632 -10.907 -3.508
33 2HG LYS 5 1HG LYS 5 -23.669 -11.049 -5.261
34 1HD LYS 5 2HD LYS 5 -21.387 -12.264 -3.790
35 2HD LYS 5 1HD LYS 5 -22.952 -13.082 -3.754
36 1HE LYS 5 2HE LYS 5 -21.800 -12.144 -6.347
37 2HE LYS 5 1HE LYS 5 -21.235 -13.651 -5.627
38 1HZ LYS 5 3HZ LYS 5 -24.117 -13.139 -6.001
39 2HZ LYS 5 2HZ LYS 5 -23.176 -13.735 -7.273
40 3HZ LYS 5 1HZ LYS 5 -23.316 -14.621 -5.838
41 H LYS 6 H LYS 6 -22.247 -7.970 -1.718
42 HA LYS 6 HA LYS 6 -23.733 -9.930 -0.181
43 1HB LYS 6 2HB LYS 6 -22.705 -8.611 1.931
44 2HB LYS 6 1HB LYS 6 -22.022 -10.101 1.306
45 1HG LYS 6 2HG LYS 6 -20.396 -8.848 0.022
46 2HG LYS 6 1HG LYS 6 -21.090 -7.330 0.597
47 1HD LYS 6 2HD LYS 6 -20.231 -9.331 2.626
48 2HD LYS 6 1HD LYS 6 -18.977 -8.438 1.763
49 1HE LYS 6 2HE LYS 6 -19.790 -7.442 3.953
50 2HE LYS 6 1HE LYS 6 -19.753 -6.367 2.556
51 1HZ LYS 6 3HZ LYS 6 -22.196 -7.807 3.418
52 2HZ LYS 6 2HZ LYS 6 -21.807 -6.252 3.957
53 3HZ LYS 6 1HZ LYS 6 -22.081 -6.532 2.311
54 H VAL 7 H VAL 7 -25.634 -9.154 0.470
55 HA VAL 7 HA VAL 7 -26.510 -6.596 -0.336
56 HB VAL 7 HB VAL 7 -28.589 -7.330 0.165
57 1HG1 VAL 7 2HG1 VAL 7 -27.324 -9.306 -0.783
58 2HG1 VAL 7 1HG1 VAL 7 -27.288 -9.946 0.860
59 3HG1 VAL 7 3HG1 VAL 7 -28.833 -9.670 0.056
60 1HG2 VAL 7 1HG2 VAL 7 -27.499 -8.312 2.801
61 2HG2 VAL 7 3HG2 VAL 7 -28.534 -6.912 2.513
62 3HG2 VAL 7 2HG2 VAL 7 -29.173 -8.542 2.293
63 H TYR 8 H TYR 8 -26.886 -4.725 0.770
64 HA TYR 8 HA TYR 8 -25.218 -3.901 2.766
65 1HB TYR 8 2HB TYR 8 -26.866 -2.559 1.341
66 2HB TYR 8 1HB TYR 8 -28.059 -2.918 2.570
67 HD1 TYR 8 HD2 TYR 8 -26.039 -2.618 4.961
68 HD2 TYR 8 HD1 TYR 8 -26.941 -0.208 1.575
69 HE1 TYR 8 HE2 TYR 8 -25.327 -0.635 6.198
70 HE2 TYR 8 HE1 TYR 8 -26.226 1.791 2.813
71 HH TYR 8 HH TYR 8 -25.093 2.509 4.658
72 H GLU 9 H GLU 9 -28.584 -4.093 3.644
73 HA GLU 9 HA GLU 9 -28.489 -6.189 5.447
74 1HB GLU 9 2HB GLU 9 -27.260 -3.778 6.432
75 2HB GLU 9 1HB GLU 9 -28.675 -4.136 7.399
76 1HG GLU 9 2HG GLU 9 -27.840 -6.279 7.975
77 2HG GLU 9 1HG GLU 9 -26.536 -6.150 6.798
78 H ASN 10 H ASN 10 -30.218 -4.949 7.471
79 HA ASN 10 HA ASN 10 -32.691 -5.428 6.525
80 1HB ASN 10 2HB ASN 10 -32.395 -3.002 8.253
81 2HB ASN 10 1HB ASN 10 -33.556 -4.322 8.370
82 1HD2 ASN 10 2HD2 ASN 10 -31.110 -4.582 11.129
83 2HD2 ASN 10 1HD2 ASN 10 -32.211 -3.376 10.567
84 H TYR 11 H TYR 11 -30.710 -2.701 5.749
85 HA TYR 11 HA TYR 11 -31.582 -0.578 4.896
86 1HB TYR 11 2HB TYR 11 -30.032 -2.234 3.498
87 2HB TYR 11 1HB TYR 11 -31.422 -2.215 2.419
88 HD1 TYR 11 HD2 TYR 11 -29.220 0.163 4.291
89 HD2 TYR 11 HD1 TYR 11 -31.511 -0.577 0.782
90 HE1 TYR 11 HE2 TYR 11 -28.456 2.303 3.345
91 HE2 TYR 11 HE1 TYR 11 -30.766 1.565 -0.162
92 HH TYR 11 HH TYR 11 -29.469 3.336 0.093
93 HA PRO 12 HA PRO 12 -36.001 -1.549 4.093
94 1HB PRO 12 2HB PRO 12 -37.041 0.721 5.131
95 2HB PRO 12 1HB PRO 12 -36.576 -0.657 6.134
96 1HG PRO 12 2HG PRO 12 -35.112 1.894 5.619
97 2HG PRO 12 1HG PRO 12 -35.291 0.986 7.131
98 1HD PRO 12 2HD PRO 12 -33.064 0.898 5.549
99 2HD PRO 12 1HD PRO 12 -33.554 -0.421 6.631
100 H VAL 13 H VAL 13 -34.613 -1.030 1.981
101 HA VAL 13 HA VAL 13 -34.224 0.596 0.243
102 HB VAL 13 HB VAL 13 -35.305 -1.435 -0.489
103 1HG1 VAL 13 2HG1 VAL 13 -37.655 -0.245 0.793
104 2HG1 VAL 13 1HG1 VAL 13 -37.993 -0.947 -0.789
105 3HG1 VAL 13 3HG1 VAL 13 -37.268 -1.934 0.479
106 1HG2 VAL 13 2HG2 VAL 13 -35.456 1.051 -1.827
107 2HG2 VAL 13 1HG2 VAL 13 -35.441 -0.560 -2.539
108 3HG2 VAL 13 3HG2 VAL 13 -36.974 0.218 -2.157
109 H SER 14 H SER 14 -37.341 1.056 -0.648
110 HA SER 14 HA SER 14 -38.866 2.779 -0.478
111 1HB SER 14 2HB SER 14 -38.888 4.179 1.336
112 2HB SER 14 1HB SER 14 -37.762 2.977 1.966
113 HG SER 14 HG SER 14 -36.257 4.435 1.951
114 H LYS 15 H LYS 15 -35.785 2.739 -1.554
115 HA LYS 15 HA LYS 15 -36.210 4.810 -3.480
116 1HB LYS 15 2HB LYS 15 -33.677 5.427 -2.146
117 2HB LYS 15 1HB LYS 15 -34.967 6.510 -2.644
118 1HG LYS 15 2HG LYS 15 -36.101 6.255 -0.596
119 2HG LYS 15 1HG LYS 15 -35.138 4.847 -0.146
120 1HD LYS 15 2HD LYS 15 -33.145 6.294 -0.017
121 2HD LYS 15 1HD LYS 15 -34.163 7.690 -0.383
122 1HE LYS 15 2HE LYS 15 -35.514 7.174 1.630
123 2HE LYS 15 1HE LYS 15 -34.393 5.868 2.011
124 1HZ LYS 15 3HZ LYS 15 -32.813 8.080 1.644
125 2HZ LYS 15 2HZ LYS 15 -34.145 8.659 2.512
126 3HZ LYS 15 1HZ LYS 15 -33.231 7.373 3.123
127 H CYS 16 H CYS 16 -35.615 3.646 -5.211
128 HA CYS 16 HA CYS 16 -32.920 2.949 -5.656
129 1HB CYS 16 2HB CYS 16 -34.626 0.885 -4.466
130 2HB CYS 16 1HB CYS 16 -33.837 0.360 -5.950
131 H GLN 17 H GLN 17 -33.091 3.928 -7.589
132 HA GLN 17 HA GLN 17 -34.048 2.461 -9.794
133 1HB GLN 17 2HB GLN 17 -35.776 4.706 -8.797
134 2HB GLN 17 1HB GLN 17 -35.672 4.385 -10.521
135 1HG GLN 17 2HG GLN 17 -36.194 1.897 -9.604
136 2HG GLN 17 1HG GLN 17 -37.025 2.867 -8.391
137 1HE2 GLN 17 2HE2 GLN 17 -39.022 4.443 -11.096
138 2HE2 GLN 17 1HE2 GLN 17 -37.843 5.000 -9.962
139 H LEU 18 H LEU 18 -31.800 4.054 -8.681
140 HA LEU 18 HA LEU 18 -30.867 5.181 -11.120
141 1HB LEU 18 2HB LEU 18 -31.863 6.971 -8.942
142 2HB LEU 18 1HB LEU 18 -30.427 7.458 -9.818
143 HG LEU 18 HG LEU 18 -32.343 6.733 -11.774
144 1HD1 LEU 18 1HD1 LEU 18 -33.501 8.521 -9.648
145 2HD1 LEU 18 3HD1 LEU 18 -34.164 8.320 -11.270
146 3HD1 LEU 18 2HD1 LEU 18 -34.115 6.949 -10.162
147 1HD2 LEU 18 2HD2 LEU 18 -31.359 9.432 -10.870
148 2HD2 LEU 18 1HD2 LEU 18 -30.626 8.399 -12.099
149 3HD2 LEU 18 3HD2 LEU 18 -32.214 9.114 -12.379
150 H ALA 19 H ALA 19 -28.643 5.521 -11.104
151 HA ALA 19 HA ALA 19 -27.114 3.998 -9.349
152 1HB ALA 19 2HB ALA 19 -26.454 6.147 -11.317
153 2HB ALA 19 1HB ALA 19 -25.195 5.488 -10.273
154 3HB ALA 19 3HB ALA 19 -26.077 4.424 -11.370
155 H ASN 20 H ASN 20 -27.438 4.446 -7.194
156 HA ASN 20 HA ASN 20 -25.872 6.487 -6.043
157 1HB ASN 20 2HB ASN 20 -27.828 7.837 -6.887
158 2HB ASN 20 1HB ASN 20 -28.844 6.946 -5.760
159 1HD2 ASN 20 2HD2 ASN 20 -25.916 9.106 -3.923
160 2HD2 ASN 20 1HD2 ASN 20 -25.539 7.994 -5.189
161 H GLN 21 H GLN 21 -28.205 6.622 -3.942
162 HA GLN 21 HA GLN 21 -27.826 5.688 -1.755
163 1HB GLN 21 2HB GLN 21 -29.948 4.491 -3.462
164 2HB GLN 21 1HB GLN 21 -29.696 3.799 -1.864
165 1HG GLN 21 2HG GLN 21 -30.118 6.736 -2.310
166 2HG GLN 21 1HG GLN 21 -31.442 5.603 -2.057
167 1HE2 GLN 21 2HE2 GLN 21 -29.132 6.850 1.024
168 2HE2 GLN 21 1HE2 GLN 21 -28.772 7.257 -0.616
169 H CYS 22 H CYS 22 -28.624 2.682 -3.404
170 HA CYS 22 HA CYS 22 -26.991 1.073 -1.846
171 1HB CYS 22 2HB CYS 22 -27.734 0.537 -4.726
172 2HB CYS 22 1HB CYS 22 -27.306 -0.661 -3.512
173 H ASN 23 H ASN 23 -26.337 2.194 -5.170
174 HA ASN 23 HA ASN 23 -23.770 1.203 -5.439
175 1HB ASN 23 2HB ASN 23 -25.349 2.553 -7.092
176 2HB ASN 23 1HB ASN 23 -24.372 3.914 -6.550
177 1HD2 ASN 23 2HD2 ASN 23 -21.508 2.987 -8.305
178 2HD2 ASN 23 1HD2 ASN 23 -22.193 3.990 -7.076
179 H TYR 24 H TYR 24 -24.551 4.586 -4.637
180 HA TYR 24 HA TYR 24 -22.020 5.404 -3.905
181 1HB TYR 24 2HB TYR 24 -23.435 7.198 -4.024
182 2HB TYR 24 1HB TYR 24 -24.779 6.322 -3.302
183 HD1 TYR 24 HD1 TYR 24 -21.368 7.451 -2.240
184 HD2 TYR 24 HD2 TYR 24 -25.506 7.153 -1.291
185 HE1 TYR 24 HE1 TYR 24 -20.948 8.577 -0.094
186 HE2 TYR 24 HE2 TYR 24 -25.099 8.283 0.855
187 HH TYR 24 HH TYR 24 -21.845 9.036 1.951
188 H ASP 25 H ASP 25 -24.566 4.128 -1.757
189 HA ASP 25 HA ASP 25 -23.222 4.292 0.641
190 1HB ASP 25 2HB ASP 25 -25.246 2.301 -0.365
191 2HB ASP 25 1HB ASP 25 -24.597 2.207 1.269
192 H CYS 26 H CYS 26 -23.343 1.369 -1.417
193 HA CYS 26 HA CYS 26 -21.464 -0.101 0.005
194 1HB CYS 26 2HB CYS 26 -21.936 -0.125 -2.987
195 2HB CYS 26 1HB CYS 26 -21.150 -1.396 -2.063
196 H LYS 27 H LYS 27 -21.026 2.252 -2.585
197 HA LYS 27 HA LYS 27 -18.291 1.930 -3.010
198 1HB LYS 27 2HB LYS 27 -20.336 3.687 -3.897
199 2HB LYS 27 1HB LYS 27 -19.014 4.700 -3.355
200 1HG LYS 27 2HG LYS 27 -18.364 4.426 -5.504
201 2HG LYS 27 1HG LYS 27 -17.610 2.978 -4.844
202 1HD LYS 27 2HD LYS 27 -20.283 3.151 -6.235
203 2HD LYS 27 1HD LYS 27 -18.805 2.435 -6.880
204 1HE LYS 27 2HE LYS 27 -20.298 1.469 -4.445
205 2HE LYS 27 1HE LYS 27 -20.388 0.744 -6.046
206 1HZ LYS 27 1HZ LYS 27 -17.717 0.853 -5.517
207 2HZ LYS 27 3HZ LYS 27 -18.392 0.434 -4.022
208 3HZ LYS 27 2HZ LYS 27 -18.698 -0.518 -5.386
209 H LEU 28 H LEU 28 -19.550 2.655 -0.084
210 HA LEU 28 HA LEU 28 -17.048 3.724 0.846
211 1HB LEU 28 2HB LEU 28 -18.096 5.754 -0.013
212 2HB LEU 28 1HB LEU 28 -19.508 5.466 0.986
213 HG LEU 28 HG LEU 28 -16.921 5.643 2.425
214 1HD1 LEU 28 1HD1 LEU 28 -18.165 8.004 1.039
215 2HD1 LEU 28 3HD1 LEU 28 -17.085 8.151 2.425
216 3HD1 LEU 28 2HD1 LEU 28 -16.502 7.427 0.927
217 1HD2 LEU 28 3HD2 LEU 28 -19.311 5.389 3.377
218 2HD2 LEU 28 2HD2 LEU 28 -18.206 6.531 4.141
219 3HD2 LEU 28 1HD2 LEU 28 -19.456 7.114 3.041
220 H ASP 29 H ASP 29 -20.416 2.959 1.581
221 HA ASP 29 HA ASP 29 -20.084 2.904 4.395
222 1HB ASP 29 2HB ASP 29 -22.139 1.605 2.598
223 2HB ASP 29 1HB ASP 29 -22.219 1.570 4.357
224 H LYS 30 H LYS 30 -19.953 0.401 1.895
225 HA LYS 30 HA LYS 30 -18.884 -1.482 3.896
226 1HB LYS 30 2HB LYS 30 -20.734 -1.777 1.662
227 2HB LYS 30 1HB LYS 30 -19.418 -2.939 1.571
228 1HG LYS 30 2HG LYS 30 -21.257 -3.915 2.750
229 2HG LYS 30 1HG LYS 30 -19.921 -3.652 3.871
230 1HD LYS 30 2HD LYS 30 -21.339 -2.546 5.211
231 2HD LYS 30 1HD LYS 30 -21.461 -1.295 3.974
232 1HE LYS 30 2HE LYS 30 -23.165 -3.778 4.009
233 2HE LYS 30 1HE LYS 30 -23.642 -2.258 4.762
234 1HZ LYS 30 3HZ LYS 30 -23.102 -1.322 2.402
235 2HZ LYS 30 2HZ LYS 30 -23.378 -2.918 1.914
236 3HZ LYS 30 1HZ LYS 30 -24.596 -2.055 2.710
237 H HIS 31 H HIS 31 -17.672 0.713 1.990
238 HA HIS 31 HA HIS 31 -15.836 0.955 0.635
239 1HB HIS 31 2HB HIS 31 -14.484 -1.181 2.234
240 2HB HIS 31 1HB HIS 31 -13.881 0.397 1.737
241 HD1 HIS 31 HD1 HIS 31 -15.084 -1.352 4.624
242 HD2 HIS 31 HD2 HIS 31 -15.272 2.567 3.257
243 HE1 HIS 31 HE1 HIS 31 -15.639 0.037 6.644
244 HE2 HIS 31 HE2 HIS 31 -15.650 2.415 5.812
245 H ALA 32 H ALA 32 -17.598 -0.621 -0.640
246 HA ALA 32 HA ALA 32 -16.323 -3.086 -1.479
247 1HB ALA 32 1HB ALA 32 -18.977 -1.889 -1.673
248 2HB ALA 32 3HB ALA 32 -18.483 -2.701 -3.156
249 3HB ALA 32 2HB ALA 32 -18.513 -3.588 -1.632
250 H ARG 33 H ARG 33 -16.645 -3.372 -4.075
251 HA ARG 33 HA ARG 33 -14.951 -1.252 -5.218
252 1HB ARG 33 2HB ARG 33 -14.560 -3.934 -5.208
253 2HB ARG 33 1HB ARG 33 -15.393 -3.751 -6.746
254 1HG ARG 33 2HG ARG 33 -12.984 -2.121 -5.984
255 2HG ARG 33 1HG ARG 33 -12.872 -3.677 -6.803
256 1HD ARG 33 2HD ARG 33 -12.794 -2.120 -8.536
257 2HD ARG 33 1HD ARG 33 -14.470 -2.666 -8.532
258 HE ARG 33 HE ARG 33 -14.718 -0.528 -7.034
259 1HH1 ARG 33 1HH2 ARG 33 -12.769 -0.936 -9.891
260 2HH1 ARG 33 2HH2 ARG 33 -12.902 0.721 -10.377
261 1HH2 ARG 33 2HH1 ARG 33 -14.900 1.657 -7.662
262 2HH2 ARG 33 1HH1 ARG 33 -14.114 2.197 -9.108
263 H SER 34 H SER 34 -18.001 -2.896 -5.553
264 HA SER 34 HA SER 34 -19.121 -0.822 -7.090
265 1HB SER 34 2HB SER 34 -19.576 -2.621 -9.066
266 2HB SER 34 1HB SER 34 -18.253 -1.456 -9.101
267 HG SER 34 HG SER 34 -17.852 -3.921 -7.830
268 H GLY 35 H GLY 35 -21.390 -1.182 -7.527
269 1HA GLY 35 2HA GLY 35 -22.855 -3.461 -7.175
270 2HA GLY 35 1HA GLY 35 -22.596 -2.868 -5.541
271 H GLU 36 H GLU 36 -25.118 -3.041 -6.200
272 HA GLU 36 HA GLU 36 -26.116 -0.439 -5.943
273 1HB GLU 36 2HB GLU 36 -27.304 -0.224 -8.124
274 2HB GLU 36 1HB GLU 36 -25.557 -0.101 -8.262
275 1HG GLU 36 2HG GLU 36 -25.490 -2.470 -8.957
276 2HG GLU 36 1HG GLU 36 -27.253 -2.490 -8.932
277 H CYS 37 H CYS 37 -28.653 -0.743 -7.124
278 HA CYS 37 HA CYS 37 -29.773 -2.746 -5.350
279 1HB CYS 37 2HB CYS 37 -30.626 -0.227 -6.332
280 2HB CYS 37 1HB CYS 37 -31.781 -1.410 -6.929
281 H PHE 38 H PHE 38 -30.523 -4.698 -5.977
282 HA PHE 38 HA PHE 38 -31.249 -5.132 -8.768
283 1HB PHE 38 2HB PHE 38 -29.066 -6.659 -7.353
284 2HB PHE 38 1HB PHE 38 -29.872 -7.257 -8.794
285 HD1 PHE 38 HD1 PHE 38 -30.016 -5.140 -10.647
286 HD2 PHE 38 HD2 PHE 38 -26.957 -5.919 -7.787
287 HE1 PHE 38 HE1 PHE 38 -28.399 -3.934 -12.051
288 HE2 PHE 38 HE2 PHE 38 -25.338 -4.718 -9.190
289 HZ PHE 38 HZ PHE 38 -26.056 -3.720 -11.323
290 H TYR 39 H TYR 39 -32.112 -7.336 -9.131
291 HA TYR 39 HA TYR 39 -33.832 -8.113 -6.888
292 1HB TYR 39 2HB TYR 39 -33.987 -8.554 -9.870
293 2HB TYR 39 1HB TYR 39 -35.007 -9.444 -8.747
294 HD1 TYR 39 HD1 TYR 39 -34.271 -6.110 -10.129
295 HD2 TYR 39 HD2 TYR 39 -36.870 -8.435 -7.699
296 HE1 TYR 39 HE1 TYR 39 -35.918 -4.285 -10.158
297 HE2 TYR 39 HE2 TYR 39 -38.527 -6.614 -7.713
298 HH TYR 39 HH TYR 39 -38.405 -4.016 -8.055
299 H ASP 40 H ASP 40 -33.759 -10.527 -9.142
300 HA ASP 40 HA ASP 40 -33.085 -12.696 -9.074
301 1HB ASP 40 2HB ASP 40 -30.480 -12.828 -8.520
302 2HB ASP 40 1HB ASP 40 -31.081 -12.221 -10.059
303 H GLU 41 H GLU 41 -32.659 -14.463 -7.851
304 HA GLU 41 HA GLU 41 -32.245 -15.719 -6.015
305 1HB GLU 41 2HB GLU 41 -31.112 -14.923 -4.242
306 2HB GLU 41 1HB GLU 41 -31.007 -13.440 -5.166
307 1HG GLU 41 2HG GLU 41 -33.021 -12.609 -3.989
308 2HG GLU 41 1HG GLU 41 -33.035 -14.092 -3.038
309 H LYS 42 H LYS 42 -34.330 -12.927 -5.211
310 HA LYS 42 HA LYS 42 -36.542 -14.787 -4.829
311 1HB LYS 42 2HB LYS 42 -35.295 -14.549 -2.641
312 2HB LYS 42 1HB LYS 42 -35.809 -12.870 -2.623
313 1HG LYS 42 2HG LYS 42 -37.817 -13.418 -1.806
314 2HG LYS 42 1HG LYS 42 -38.074 -14.601 -3.088
315 1HD LYS 42 2HD LYS 42 -36.343 -15.188 -0.701
316 2HD LYS 42 1HD LYS 42 -38.089 -15.455 -0.683
317 1HE LYS 42 2HE LYS 42 -37.917 -16.986 -2.537
318 2HE LYS 42 1HE LYS 42 -36.198 -16.640 -2.710
319 1HZ LYS 42 1HZ LYS 42 -37.425 -17.865 -0.301
320 2HZ LYS 42 3HZ LYS 42 -36.660 -18.736 -1.535
321 3HZ LYS 42 2HZ LYS 42 -35.773 -17.646 -0.595
322 H ARG 43 H ARG 43 -35.958 -12.590 -6.712
323 HA ARG 43 HA ARG 43 -36.998 -10.802 -7.666
324 1HB ARG 43 2HB ARG 43 -39.338 -11.923 -6.109
325 2HB ARG 43 1HB ARG 43 -39.470 -10.685 -7.350
326 1HG ARG 43 2HG ARG 43 -40.033 -12.642 -8.456
327 2HG ARG 43 1HG ARG 43 -38.343 -12.388 -8.897
328 1HD ARG 43 2HD ARG 43 -38.950 -14.743 -8.255
329 2HD ARG 43 1HD ARG 43 -37.603 -14.038 -7.364
330 HE ARG 43 HE ARG 43 -38.819 -14.282 -5.455
331 1HH1 ARG 43 1HH2 ARG 43 -41.008 -14.311 -8.163
332 2HH1 ARG 43 2HH2 ARG 43 -42.402 -14.665 -7.197
333 1HH2 ARG 43 2HH1 ARG 43 -40.647 -14.745 -4.176
334 2HH2 ARG 43 1HH1 ARG 43 -42.197 -14.910 -4.930
335 H ASN 44 H ASN 44 -35.877 -10.687 -4.826
336 HA ASN 44 HA ASN 44 -37.354 -8.397 -3.764
337 1HB ASN 44 2HB ASN 44 -35.140 -10.115 -2.642
338 2HB ASN 44 1HB ASN 44 -35.695 -8.645 -1.849
339 1HD2 ASN 44 2HD2 ASN 44 -37.776 -10.819 -0.073
340 2HD2 ASN 44 1HD2 ASN 44 -36.323 -9.885 -0.052
341 H LEU 45 H LEU 45 -36.716 -6.379 -4.108
342 HA LEU 45 HA LEU 45 -34.222 -5.880 -5.502
343 1HB LEU 45 2HB LEU 45 -36.406 -4.774 -6.095
344 2HB LEU 45 1HB LEU 45 -36.295 -3.891 -4.583
345 HG LEU 45 HG LEU 45 -33.934 -3.181 -5.580
346 1HD1 LEU 45 3HD1 LEU 45 -34.593 -4.705 -7.622
347 2HD1 LEU 45 2HD1 LEU 45 -35.461 -3.255 -8.130
348 3HD1 LEU 45 1HD1 LEU 45 -33.721 -3.189 -7.855
349 1HD2 LEU 45 1HD2 LEU 45 -36.658 -2.050 -6.056
350 2HD2 LEU 45 3HD2 LEU 45 -35.357 -1.448 -5.029
351 3HD2 LEU 45 2HD2 LEU 45 -35.251 -1.273 -6.781
352 H GLN 46 H GLN 46 -32.398 -5.694 -4.326
353 HA GLN 46 HA GLN 46 -32.480 -4.012 -1.926
354 1HB GLN 46 2HB GLN 46 -31.405 -6.828 -2.016
355 2HB GLN 46 1HB GLN 46 -31.050 -5.690 -0.724
356 1HG GLN 46 2HG GLN 46 -33.547 -5.496 -0.388
357 2HG GLN 46 1HG GLN 46 -33.700 -6.885 -1.463
358 1HE2 GLN 46 2HE2 GLN 46 -33.696 -8.636 1.597
359 2HE2 GLN 46 1HE2 GLN 46 -34.694 -7.911 0.387
360 H CYS 47 H CYS 47 -30.385 -3.387 -1.132
361 HA CYS 47 HA CYS 47 -28.666 -2.518 -3.244
362 1HB CYS 47 2HB CYS 47 -28.453 -2.276 -0.243
363 2HB CYS 47 1HB CYS 47 -27.387 -1.465 -1.376
364 H ILE 48 H ILE 48 -27.561 -4.220 -4.175
365 HA ILE 48 HA ILE 48 -26.058 -6.051 -2.483
366 HB ILE 48 HB ILE 48 -26.165 -5.983 -5.497
367 1HG1 ILE 48 2HG1 ILE 48 -27.995 -7.169 -3.452
368 2HG1 ILE 48 1HG1 ILE 48 -28.381 -6.423 -4.999
369 1HG2 ILE 48 2HG2 ILE 48 -24.252 -7.184 -4.455
370 2HG2 ILE 48 1HG2 ILE 48 -25.409 -8.228 -3.630
371 3HG2 ILE 48 3HG2 ILE 48 -25.317 -8.232 -5.391
372 1HD1 ILE 48 2HD1 ILE 48 -27.393 -8.452 -6.101
373 2HD1 ILE 48 1HD1 ILE 48 -27.323 -9.188 -4.499
374 3HD1 ILE 48 3HD1 ILE 48 -28.878 -8.723 -5.189
375 H CYS 49 H CYS 49 -24.074 -5.558 -1.822
376 HA CYS 49 HA CYS 49 -22.495 -3.572 -3.289
377 1HB CYS 49 2HB CYS 49 -21.913 -4.906 -0.633
378 2HB CYS 49 1HB CYS 49 -21.043 -3.545 -1.326
379 H ASP 50 H ASP 50 -21.305 -4.347 -4.882
380 HA ASP 50 HA ASP 50 -20.242 -7.055 -4.751
381 1HB ASP 50 2HB ASP 50 -21.349 -5.627 -6.809
382 2HB ASP 50 1HB ASP 50 -19.631 -5.465 -7.155
383 H TYR 51 H TYR 51 -18.086 -7.520 -5.446
384 HA TYR 51 HA TYR 51 -16.126 -5.448 -4.728
385 1HB TYR 51 2HB TYR 51 -16.211 -8.339 -3.879
386 2HB TYR 51 1HB TYR 51 -14.772 -7.339 -3.724
387 HD1 TYR 51 HD2 TYR 51 -18.201 -7.890 -2.500
388 HD2 TYR 51 HD1 TYR 51 -14.609 -5.669 -1.996
389 HE1 TYR 51 HE2 TYR 51 -19.010 -7.094 -0.317
390 HE2 TYR 51 HE1 TYR 51 -15.406 -4.867 0.189
391 HH TYR 51 HH TYR 51 -16.984 -5.063 1.760
392 H CYS 52 H CYS 52 -17.026 -8.189 -6.664
393 HA CYS 52 HA CYS 52 -14.505 -8.101 -8.159
394 1HB CYS 52 2HB CYS 52 -16.784 -10.073 -8.068
395 2HB CYS 52 1HB CYS 52 -15.565 -10.126 -9.334
396 H GLU 53 H GLU 53 -17.435 -6.623 -8.203
397 HA GLU 53 HA GLU 53 -18.431 -5.238 -9.706
398 1HB GLU 53 2HB GLU 53 -16.451 -6.108 -11.806
399 2HB GLU 53 1HB GLU 53 -17.379 -4.620 -11.740
400 1HG GLU 53 2HG GLU 53 -15.971 -3.637 -10.247
401 2HG GLU 53 1HG GLU 53 -15.498 -5.167 -9.513
402 H TYR 54 HN TYR 54 -17.337 -7.568 -12.143
403 HA TYR 54 HA TYR 54 -20.128 -8.124 -12.758
404 1HB TYR 54 2HB TYR 54 -17.543 -8.431 -14.196
405 2HB TYR 54 1HB TYR 54 -18.844 -9.541 -14.625
406 HD1 TYR 54 HD2 TYR 54 -19.273 -6.046 -13.523
407 HD2 TYR 54 HD1 TYR 54 -19.333 -8.743 -16.809
408 HE1 TYR 54 HE2 TYR 54 -20.298 -4.310 -14.916
409 HE2 TYR 54 HE1 TYR 54 -20.359 -7.008 -18.221
410 HH TYR 54 HH TYR 54 -21.848 -4.849 -17.692
No H/Q in entry = 410
Start of MODEL 12
1 HN PCA 1 HN PCA 1 -21.716 -13.484 -8.543
2 HA PCA 1 HA PCA 1 -21.157 -15.857 -9.209
3 1HB PCA 1 1HB PCA 1 -20.515 -16.046 -11.372
4 2HB PCA 1 2HB PCA 1 -18.935 -15.357 -10.931
5 1HG PCA 1 1HG PCA 1 -21.020 -14.100 -12.436
6 2HG PCA 1 2HG PCA 1 -19.527 -13.348 -11.845
7 H ASP 2 H ASP 2 -19.259 -17.035 -8.473
8 HA ASP 2 HA ASP 2 -17.651 -17.379 -6.893
9 1HB ASP 2 2HB ASP 2 -16.650 -15.189 -8.633
10 2HB ASP 2 1HB ASP 2 -15.774 -15.451 -7.129
11 H LYS 3 H LYS 3 -16.127 -15.864 -5.279
12 HA LYS 3 HA LYS 3 -18.122 -14.520 -3.609
13 1HB LYS 3 2HB LYS 3 -15.822 -16.206 -3.101
14 2HB LYS 3 1HB LYS 3 -15.696 -14.710 -2.186
15 1HG LYS 3 2HG LYS 3 -18.100 -16.521 -2.157
16 2HG LYS 3 1HG LYS 3 -16.799 -16.559 -0.965
17 1HD LYS 3 2HD LYS 3 -17.379 -13.961 -0.832
18 2HD LYS 3 1HD LYS 3 -18.951 -14.550 -1.375
19 1HE LYS 3 2HE LYS 3 -18.704 -16.276 0.529
20 2HE LYS 3 1HE LYS 3 -17.461 -15.188 1.146
21 1HZ LYS 3 2HZ LYS 3 -19.954 -13.907 0.426
22 2HZ LYS 3 1HZ LYS 3 -20.067 -14.985 1.724
23 3HZ LYS 3 3HZ LYS 3 -18.979 -13.690 1.792
24 H CYS 4 H CYS 4 -18.166 -12.392 -3.403
25 HA CYS 4 HA CYS 4 -16.127 -10.628 -3.039
26 1HB CYS 4 2HB CYS 4 -16.334 -11.469 -5.847
27 2HB CYS 4 1HB CYS 4 -16.322 -9.723 -5.631
28 H LYS 5 H LYS 5 -19.092 -11.186 -2.783
29 HA LYS 5 HA LYS 5 -19.935 -8.410 -3.069
30 1HB LYS 5 2HB LYS 5 -21.667 -8.762 -4.501
31 2HB LYS 5 1HB LYS 5 -20.657 -10.095 -5.034
32 1HG LYS 5 2HG LYS 5 -22.977 -10.246 -3.120
33 2HG LYS 5 1HG LYS 5 -22.933 -10.834 -4.780
34 1HD LYS 5 2HD LYS 5 -20.776 -11.925 -3.124
35 2HD LYS 5 1HD LYS 5 -22.380 -12.333 -2.522
36 1HE LYS 5 2HE LYS 5 -22.959 -13.136 -4.810
37 2HE LYS 5 1HE LYS 5 -21.280 -12.869 -5.276
38 1HZ LYS 5 1HZ LYS 5 -22.111 -14.645 -3.050
39 2HZ LYS 5 3HZ LYS 5 -21.808 -15.189 -4.623
40 3HZ LYS 5 2HZ LYS 5 -20.562 -14.496 -3.713
41 H LYS 6 H LYS 6 -21.754 -7.850 -1.738
42 HA LYS 6 HA LYS 6 -22.686 -9.840 0.155
43 1HB LYS 6 2HB LYS 6 -20.459 -8.319 0.788
44 2HB LYS 6 1HB LYS 6 -21.765 -7.460 1.588
45 1HG LYS 6 2HG LYS 6 -22.381 -9.909 2.399
46 2HG LYS 6 1HG LYS 6 -20.660 -10.164 2.103
47 1HD LYS 6 2HD LYS 6 -20.085 -8.375 3.612
48 2HD LYS 6 1HD LYS 6 -21.786 -7.951 3.816
49 1HE LYS 6 2HE LYS 6 -22.239 -9.891 5.044
50 2HE LYS 6 1HE LYS 6 -20.758 -10.684 4.506
51 1HZ LYS 6 2HZ LYS 6 -19.622 -8.744 5.746
52 2HZ LYS 6 1HZ LYS 6 -21.104 -8.589 6.545
53 3HZ LYS 6 3HZ LYS 6 -20.240 -10.041 6.640
54 H VAL 7 H VAL 7 -24.808 -9.550 0.387
55 HA VAL 7 HA VAL 7 -26.176 -7.301 -0.614
56 HB VAL 7 HB VAL 7 -28.154 -8.325 0.004
57 1HG1 VAL 7 3HG1 VAL 7 -26.501 -9.804 -1.319
58 2HG1 VAL 7 2HG1 VAL 7 -26.443 -10.770 0.153
59 3HG1 VAL 7 1HG1 VAL 7 -27.978 -10.526 -0.681
60 1HG2 VAL 7 2HG2 VAL 7 -26.665 -9.463 2.354
61 2HG2 VAL 7 1HG2 VAL 7 -28.037 -8.354 2.354
62 3HG2 VAL 7 3HG2 VAL 7 -28.263 -10.035 1.874
63 H TYR 8 H TYR 8 -26.241 -5.334 0.224
64 HA TYR 8 HA TYR 8 -25.258 -4.601 2.708
65 1HB TYR 8 2HB TYR 8 -25.614 -3.064 0.794
66 2HB TYR 8 1HB TYR 8 -27.341 -3.135 1.081
67 HD1 TYR 8 HD2 TYR 8 -25.876 -3.143 4.279
68 HD2 TYR 8 HD1 TYR 8 -26.608 -0.558 0.968
69 HE1 TYR 8 HE2 TYR 8 -25.712 -1.206 5.759
70 HE2 TYR 8 HE1 TYR 8 -26.436 1.389 2.456
71 HH TYR 8 HH TYR 8 -26.378 2.058 4.610
72 H GLU 9 H GLU 9 -26.239 -6.250 4.053
73 HA GLU 9 HA GLU 9 -28.187 -7.199 5.105
74 1HB GLU 9 2HB GLU 9 -27.133 -4.763 6.529
75 2HB GLU 9 1HB GLU 9 -28.208 -5.933 7.282
76 1HG GLU 9 2HG GLU 9 -26.479 -7.687 6.674
77 2HG GLU 9 1HG GLU 9 -25.399 -6.341 6.313
78 H ASN 10 H ASN 10 -30.279 -7.228 4.781
79 HA ASN 10 HA ASN 10 -32.257 -6.294 3.831
80 1HB ASN 10 2HB ASN 10 -32.101 -5.728 6.791
81 2HB ASN 10 1HB ASN 10 -33.592 -5.638 5.858
82 1HD2 ASN 10 2HD2 ASN 10 -34.017 -8.928 6.987
83 2HD2 ASN 10 1HD2 ASN 10 -34.435 -7.269 7.230
84 H TYR 11 H TYR 11 -30.604 -4.427 2.887
85 HA TYR 11 HA TYR 11 -30.726 -1.836 3.875
86 1HB TYR 11 2HB TYR 11 -29.320 -2.478 1.979
87 2HB TYR 11 1HB TYR 11 -30.750 -2.740 0.989
88 HD1 TYR 11 HD1 TYR 11 -28.770 -0.174 2.752
89 HD2 TYR 11 HD2 TYR 11 -31.782 -0.927 -0.149
90 HE1 TYR 11 HE1 TYR 11 -28.641 2.170 2.025
91 HE2 TYR 11 HE2 TYR 11 -31.670 1.420 -0.882
92 HH TYR 11 HH TYR 11 -29.245 3.394 -0.343
93 HA PRO 12 HA PRO 12 -35.044 -0.630 3.792
94 1HB PRO 12 2HB PRO 12 -33.875 1.778 2.438
95 2HB PRO 12 1HB PRO 12 -35.095 1.697 3.714
96 1HG PRO 12 2HG PRO 12 -32.563 2.291 4.294
97 2HG PRO 12 1HG PRO 12 -33.530 1.265 5.369
98 1HD PRO 12 2HD PRO 12 -31.306 0.528 3.561
99 2HD PRO 12 1HD PRO 12 -31.864 -0.264 5.044
100 H VAL 13 H VAL 13 -35.431 -2.290 2.178
101 HA VAL 13 HA VAL 13 -34.999 -2.034 -0.544
102 HB VAL 13 HB VAL 13 -37.488 -3.437 -0.108
103 1HG1 VAL 13 3HG1 VAL 13 -34.676 -4.273 -0.778
104 2HG1 VAL 13 2HG1 VAL 13 -36.031 -5.394 -0.727
105 3HG1 VAL 13 1HG1 VAL 13 -36.036 -4.059 -1.880
106 1HG2 VAL 13 1HG2 VAL 13 -35.273 -4.106 1.828
107 2HG2 VAL 13 3HG2 VAL 13 -36.876 -3.498 2.238
108 3HG2 VAL 13 2HG2 VAL 13 -36.697 -5.099 1.522
109 H SER 14 H SER 14 -35.541 -0.363 -1.690
110 HA SER 14 HA SER 14 -38.199 0.211 -2.387
111 1HB SER 14 2HB SER 14 -38.508 2.415 -1.421
112 2HB SER 14 1HB SER 14 -38.196 1.267 -0.118
113 HG SER 14 HG SER 14 -36.024 1.989 -0.115
114 H LYS 15 H LYS 15 -35.798 2.722 -1.896
115 HA LYS 15 HA LYS 15 -35.742 3.379 -4.666
116 1HB LYS 15 2HB LYS 15 -33.703 4.263 -2.629
117 2HB LYS 15 1HB LYS 15 -34.228 5.103 -4.082
118 1HG LYS 15 2HG LYS 15 -36.574 4.877 -2.697
119 2HG LYS 15 1HG LYS 15 -35.405 5.079 -1.393
120 1HD LYS 15 2HD LYS 15 -35.910 7.271 -1.854
121 2HD LYS 15 1HD LYS 15 -34.524 7.031 -2.919
122 1HE LYS 15 2HE LYS 15 -37.360 7.475 -3.579
123 2HE LYS 15 1HE LYS 15 -35.908 7.879 -4.495
124 1HZ LYS 15 1HZ LYS 15 -35.896 5.218 -4.660
125 2HZ LYS 15 3HZ LYS 15 -37.562 5.502 -4.598
126 3HZ LYS 15 2HZ LYS 15 -36.626 6.223 -5.808
127 H CYS 16 H CYS 16 -33.772 3.373 -6.018
128 HA CYS 16 HA CYS 16 -31.539 1.750 -5.343
129 1HB CYS 16 2HB CYS 16 -33.803 0.507 -6.862
130 2HB CYS 16 1HB CYS 16 -32.153 0.026 -7.218
131 H GLN 17 H GLN 17 -33.237 1.833 -8.445
132 HA GLN 17 HA GLN 17 -32.710 2.713 -10.468
133 1HB GLN 17 2HB GLN 17 -31.196 4.736 -8.810
134 2HB GLN 17 1HB GLN 17 -31.531 4.886 -10.528
135 1HG GLN 17 2HG GLN 17 -33.183 6.171 -9.570
136 2HG GLN 17 1HG GLN 17 -33.996 4.632 -9.850
137 1HE2 GLN 17 2HE2 GLN 17 -32.828 5.293 -5.987
138 2HE2 GLN 17 1HE2 GLN 17 -31.734 5.561 -7.297
139 H LEU 18 H LEU 18 -30.798 0.935 -8.808
140 HA LEU 18 HA LEU 18 -28.585 0.201 -8.900
141 1HB LEU 18 2HB LEU 18 -29.586 -0.051 -11.733
142 2HB LEU 18 1HB LEU 18 -28.213 -0.911 -11.069
143 HG LEU 18 HG LEU 18 -29.770 -1.990 -9.424
144 1HD1 LEU 18 1HD1 LEU 18 -31.772 -0.482 -11.069
145 2HD1 LEU 18 3HD1 LEU 18 -32.202 -1.958 -10.210
146 3HD1 LEU 18 2HD1 LEU 18 -31.613 -0.559 -9.318
147 1HD2 LEU 18 1HD2 LEU 18 -29.031 -3.130 -11.456
148 2HD2 LEU 18 3HD2 LEU 18 -30.687 -3.569 -11.038
149 3HD2 LEU 18 2HD2 LEU 18 -30.381 -2.425 -12.346
150 H ALA 19 H ALA 19 -28.089 2.703 -8.706
151 HA ALA 19 HA ALA 19 -25.705 3.178 -10.018
152 1HB ALA 19 2HB ALA 19 -28.102 4.188 -11.470
153 2HB ALA 19 1HB ALA 19 -26.625 5.154 -11.485
154 3HB ALA 19 3HB ALA 19 -26.606 3.503 -12.105
155 H ASN 20 H ASN 20 -26.936 3.485 -7.482
156 HA ASN 20 HA ASN 20 -25.845 5.947 -6.680
157 1HB ASN 20 2HB ASN 20 -27.938 6.796 -7.769
158 2HB ASN 20 1HB ASN 20 -28.871 5.867 -6.600
159 1HD2 ASN 20 2HD2 ASN 20 -26.623 8.458 -4.525
160 2HD2 ASN 20 1HD2 ASN 20 -25.969 7.098 -5.365
161 H GLN 21 H GLN 21 -28.577 5.627 -4.876
162 HA GLN 21 HA GLN 21 -28.160 5.192 -2.486
163 1HB GLN 21 2HB GLN 21 -29.875 3.558 -4.202
164 2HB GLN 21 1HB GLN 21 -29.468 2.754 -2.692
165 1HG GLN 21 2HG GLN 21 -31.463 3.898 -2.272
166 2HG GLN 21 1HG GLN 21 -30.203 4.874 -1.521
167 1HE2 GLN 21 2HE2 GLN 21 -30.381 7.231 -4.375
168 2HE2 GLN 21 1HE2 GLN 21 -29.183 6.162 -3.739
169 H CYS 22 H CYS 22 -27.986 1.946 -3.858
170 HA CYS 22 HA CYS 22 -26.232 0.972 -1.922
171 1HB CYS 22 2HB CYS 22 -26.158 -0.320 -4.595
172 2HB CYS 22 1HB CYS 22 -26.397 -1.033 -3.005
173 H ASN 23 H ASN 23 -25.534 1.954 -5.278
174 HA ASN 23 HA ASN 23 -22.830 1.419 -5.331
175 1HB ASN 23 2HB ASN 23 -24.387 2.340 -7.195
176 2HB ASN 23 1HB ASN 23 -23.932 3.926 -6.579
177 1HD2 ASN 23 2HD2 ASN 23 -20.452 3.448 -7.480
178 2HD2 ASN 23 1HD2 ASN 23 -21.391 3.909 -6.105
179 H TYR 24 H TYR 24 -24.126 4.696 -4.824
180 HA TYR 24 HA TYR 24 -21.807 5.857 -3.869
181 1HB TYR 24 2HB TYR 24 -23.310 7.519 -4.225
182 2HB TYR 24 1HB TYR 24 -24.680 6.491 -3.828
183 HD1 TYR 24 HD2 TYR 24 -21.827 8.199 -2.113
184 HD2 TYR 24 HD1 TYR 24 -25.913 7.027 -1.958
185 HE1 TYR 24 HE2 TYR 24 -22.075 9.367 0.035
186 HE2 TYR 24 HE1 TYR 24 -26.173 8.192 0.190
187 HH TYR 24 HH TYR 24 -24.485 10.427 1.290
188 H ASP 25 H ASP 25 -24.407 4.305 -1.998
189 HA ASP 25 HA ASP 25 -23.399 4.800 0.549
190 1HB ASP 25 2HB ASP 25 -25.075 2.517 -0.495
191 2HB ASP 25 1HB ASP 25 -24.695 2.724 1.212
192 H CYS 26 H CYS 26 -23.144 1.639 -1.108
193 HA CYS 26 HA CYS 26 -21.309 0.522 0.612
194 1HB CYS 26 2HB CYS 26 -21.121 0.040 -2.354
195 2HB CYS 26 1HB CYS 26 -20.851 -1.095 -1.039
196 H LYS 27 H LYS 27 -20.727 2.636 -2.159
197 HA LYS 27 HA LYS 27 -17.944 2.459 -2.233
198 1HB LYS 27 2HB LYS 27 -19.542 3.588 -3.896
199 2HB LYS 27 1HB LYS 27 -19.440 4.996 -2.850
200 1HG LYS 27 2HG LYS 27 -17.261 5.426 -3.401
201 2HG LYS 27 1HG LYS 27 -16.909 3.744 -3.789
202 1HD LYS 27 2HD LYS 27 -16.903 4.939 -5.840
203 2HD LYS 27 1HD LYS 27 -18.402 4.011 -5.803
204 1HE LYS 27 2HE LYS 27 -19.058 6.125 -6.554
205 2HE LYS 27 1HE LYS 27 -19.468 6.132 -4.839
206 1HZ LYS 27 1HZ LYS 27 -16.888 7.054 -4.956
207 2HZ LYS 27 3HZ LYS 27 -17.656 7.804 -6.265
208 3HZ LYS 27 2HZ LYS 27 -18.278 7.986 -4.703
209 H LEU 28 H LEU 28 -19.579 3.254 0.441
210 HA LEU 28 HA LEU 28 -17.311 4.583 1.602
211 1HB LEU 28 2HB LEU 28 -18.397 6.478 0.516
212 2HB LEU 28 1HB LEU 28 -19.903 6.104 1.327
213 HG LEU 28 HG LEU 28 -18.598 8.024 2.295
214 1HD1 LEU 28 1HD1 LEU 28 -20.189 6.234 3.554
215 2HD1 LEU 28 3HD1 LEU 28 -18.716 6.087 4.511
216 3HD1 LEU 28 2HD1 LEU 28 -19.493 7.657 4.324
217 1HD2 LEU 28 3HD2 LEU 28 -16.390 6.769 1.966
218 2HD2 LEU 28 2HD2 LEU 28 -16.598 7.701 3.449
219 3HD2 LEU 28 1HD2 LEU 28 -16.789 5.947 3.476
220 H ASP 29 H ASP 29 -20.721 3.701 1.972
221 HA ASP 29 HA ASP 29 -20.709 3.707 4.803
222 1HB ASP 29 2HB ASP 29 -22.520 2.481 2.736
223 2HB ASP 29 1HB ASP 29 -22.779 2.209 4.457
224 H LYS 30 H LYS 30 -20.550 1.018 2.462
225 HA LYS 30 HA LYS 30 -19.652 -0.758 4.620
226 1HB LYS 30 2HB LYS 30 -20.673 -1.311 1.834
227 2HB LYS 30 1HB LYS 30 -20.019 -2.558 2.885
228 1HG LYS 30 2HG LYS 30 -21.790 -1.695 4.577
229 2HG LYS 30 1HG LYS 30 -22.552 -1.003 3.143
230 1HD LYS 30 2HD LYS 30 -23.574 -3.056 3.205
231 2HD LYS 30 1HD LYS 30 -22.184 -3.425 2.183
232 1HE LYS 30 2HE LYS 30 -21.073 -3.951 4.534
233 2HE LYS 30 1HE LYS 30 -22.754 -4.224 4.988
234 1HZ LYS 30 2HZ LYS 30 -21.769 -5.466 2.527
235 2HZ LYS 30 1HZ LYS 30 -21.282 -6.136 4.001
236 3HZ LYS 30 3HZ LYS 30 -22.928 -6.022 3.625
237 H HIS 31 H HIS 31 -18.057 1.343 3.072
238 HA HIS 31 HA HIS 31 -16.048 1.558 1.990
239 1HB HIS 31 2HB HIS 31 -14.606 -0.532 3.324
240 2HB HIS 31 1HB HIS 31 -14.615 1.191 3.684
241 HD1 HIS 31 HD1 HIS 31 -15.786 -2.063 4.927
242 HD2 HIS 31 HD2 HIS 31 -16.548 1.951 5.677
243 HE1 HIS 31 HE1 HIS 31 -17.009 -2.012 7.122
244 HE2 HIS 31 HE2 HIS 31 -17.365 0.435 7.608
245 H ALA 32 H ALA 32 -17.843 -0.145 0.566
246 HA ALA 32 HA ALA 32 -16.272 -2.392 -0.381
247 1HB ALA 32 2HB ALA 32 -18.903 -2.152 -0.124
248 2HB ALA 32 1HB ALA 32 -18.757 -1.567 -1.782
249 3HB ALA 32 3HB ALA 32 -18.174 -3.178 -1.360
250 H ARG 33 H ARG 33 -16.729 -2.530 -3.022
251 HA ARG 33 HA ARG 33 -15.066 -0.368 -4.056
252 1HB ARG 33 2HB ARG 33 -15.017 -3.112 -4.394
253 2HB ARG 33 1HB ARG 33 -15.734 -2.553 -5.896
254 1HG ARG 33 2HG ARG 33 -13.417 -2.672 -6.267
255 2HG ARG 33 1HG ARG 33 -13.802 -0.961 -6.099
256 1HD ARG 33 2HD ARG 33 -13.131 -2.172 -3.539
257 2HD ARG 33 1HD ARG 33 -11.830 -2.350 -4.714
258 HE ARG 33 HE ARG 33 -12.259 0.197 -5.010
259 1HH1 ARG 33 1HH2 ARG 33 -12.374 -1.618 -2.042
260 2HH1 ARG 33 2HH2 ARG 33 -11.906 -0.278 -1.050
261 1HH2 ARG 33 2HH1 ARG 33 -11.637 1.972 -3.715
262 2HH2 ARG 33 1HH1 ARG 33 -11.484 1.762 -2.002
263 H SER 34 H SER 34 -18.066 -2.092 -4.849
264 HA SER 34 HA SER 34 -19.317 0.296 -5.810
265 1HB SER 34 2HB SER 34 -19.752 -1.002 -8.113
266 2HB SER 34 1HB SER 34 -18.381 0.084 -7.897
267 HG SER 34 HG SER 34 -17.078 -1.556 -8.044
268 H GLY 35 H GLY 35 -21.564 0.055 -5.984
269 1HA GLY 35 2HA GLY 35 -22.575 -2.584 -5.095
270 2HA GLY 35 1HA GLY 35 -23.286 -1.048 -4.632
271 H GLU 36 H GLU 36 -25.051 -2.696 -5.488
272 HA GLU 36 HA GLU 36 -26.194 -1.518 -7.774
273 1HB GLU 36 2HB GLU 36 -24.692 -4.079 -8.165
274 2HB GLU 36 1HB GLU 36 -26.212 -3.880 -9.020
275 1HG GLU 36 2HG GLU 36 -25.015 -1.548 -9.661
276 2HG GLU 36 1HG GLU 36 -23.602 -2.581 -9.465
277 H CYS 37 H CYS 37 -28.365 -1.974 -7.862
278 HA CYS 37 HA CYS 37 -29.404 -3.607 -5.692
279 1HB CYS 37 2HB CYS 37 -30.366 -1.358 -7.303
280 2HB CYS 37 1HB CYS 37 -31.604 -2.577 -7.017
281 H PHE 38 H PHE 38 -30.782 -5.362 -5.937
282 HA PHE 38 HA PHE 38 -31.325 -6.343 -8.641
283 1HB PHE 38 2HB PHE 38 -29.538 -7.657 -6.644
284 2HB PHE 38 1HB PHE 38 -30.583 -8.690 -7.613
285 HD1 PHE 38 HD2 PHE 38 -30.444 -8.479 -10.143
286 HD2 PHE 38 HD1 PHE 38 -27.532 -6.855 -7.498
287 HE1 PHE 38 HE2 PHE 38 -28.821 -8.392 -11.990
288 HE2 PHE 38 HE1 PHE 38 -25.904 -6.764 -9.340
289 HZ PHE 38 HZ PHE 38 -26.546 -7.534 -11.590
290 H TYR 39 H TYR 39 -33.147 -7.577 -8.809
291 HA TYR 39 HA TYR 39 -35.045 -7.368 -6.691
292 1HB TYR 39 2HB TYR 39 -35.093 -8.701 -9.391
293 2HB TYR 39 1HB TYR 39 -36.446 -8.818 -8.270
294 HD1 TYR 39 HD1 TYR 39 -37.563 -6.676 -7.511
295 HD2 TYR 39 HD2 TYR 39 -34.819 -6.814 -10.758
296 HE1 TYR 39 HE1 TYR 39 -38.451 -4.538 -8.344
297 HE2 TYR 39 HE2 TYR 39 -35.697 -4.676 -11.603
298 HH TYR 39 HH TYR 39 -37.757 -3.337 -11.439
299 H ASP 40 H ASP 40 -36.463 -9.557 -6.440
300 HA ASP 40 HA ASP 40 -35.463 -12.069 -6.341
301 1HB ASP 40 2HB ASP 40 -34.659 -12.054 -3.824
302 2HB ASP 40 1HB ASP 40 -33.538 -11.694 -5.131
303 H GLU 41 H GLU 41 -36.097 -13.160 -4.052
304 HA GLU 41 HA GLU 41 -38.080 -14.115 -3.369
305 1HB GLU 41 2HB GLU 41 -38.937 -12.363 -1.501
306 2HB GLU 41 1HB GLU 41 -37.506 -13.365 -1.306
307 1HG GLU 41 2HG GLU 41 -36.057 -11.601 -1.816
308 2HG GLU 41 1HG GLU 41 -37.353 -10.619 -2.498
309 H LYS 42 H LYS 42 -39.166 -10.751 -3.097
310 HA LYS 42 HA LYS 42 -41.336 -11.345 -5.001
311 1HB LYS 42 2HB LYS 42 -41.619 -10.167 -2.236
312 2HB LYS 42 1HB LYS 42 -42.884 -10.094 -3.455
313 1HG LYS 42 2HG LYS 42 -41.720 -12.741 -2.741
314 2HG LYS 42 1HG LYS 42 -42.870 -11.979 -1.642
315 1HD LYS 42 2HD LYS 42 -44.616 -12.188 -3.102
316 2HD LYS 42 1HD LYS 42 -43.579 -12.090 -4.527
317 1HE LYS 42 2HE LYS 42 -42.860 -14.346 -4.248
318 2HE LYS 42 1HE LYS 42 -43.627 -14.456 -2.665
319 1HZ LYS 42 1HZ LYS 42 -45.718 -13.826 -4.173
320 2HZ LYS 42 3HZ LYS 42 -44.799 -14.674 -5.313
321 3HZ LYS 42 2HZ LYS 42 -45.248 -15.421 -3.864
322 H ARG 43 H ARG 43 -39.998 -10.061 -6.445
323 HA ARG 43 HA ARG 43 -39.314 -8.133 -7.458
324 1HB ARG 43 2HB ARG 43 -41.873 -8.117 -7.576
325 2HB ARG 43 1HB ARG 43 -41.811 -6.918 -6.291
326 1HG ARG 43 2HG ARG 43 -40.771 -5.336 -7.654
327 2HG ARG 43 1HG ARG 43 -40.280 -6.547 -8.839
328 1HD ARG 43 2HD ARG 43 -42.263 -4.992 -9.395
329 2HD ARG 43 1HD ARG 43 -42.412 -6.712 -9.742
330 HE ARG 43 HE ARG 43 -43.676 -6.868 -7.612
331 1HH1 ARG 43 1HH2 ARG 43 -43.479 -3.807 -9.291
332 2HH1 ARG 43 2HH2 ARG 43 -44.932 -3.190 -8.583
333 1HH2 ARG 43 2HH1 ARG 43 -45.582 -6.050 -6.689
334 2HH2 ARG 43 1HH1 ARG 43 -46.125 -4.460 -7.108
335 H ASN 44 H ASN 44 -38.440 -8.497 -4.669
336 HA ASN 44 HA ASN 44 -38.322 -5.756 -3.664
337 1HB ASN 44 2HB ASN 44 -36.973 -8.070 -2.323
338 2HB ASN 44 1HB ASN 44 -37.693 -6.634 -1.608
339 1HD2 ASN 44 2HD2 ASN 44 -40.795 -8.055 -1.111
340 2HD2 ASN 44 1HD2 ASN 44 -39.740 -6.701 -0.926
341 H LEU 45 H LEU 45 -36.678 -4.465 -4.119
342 HA LEU 45 HA LEU 45 -34.328 -5.541 -5.446
343 1HB LEU 45 2HB LEU 45 -35.257 -2.732 -4.895
344 2HB LEU 45 1HB LEU 45 -33.738 -3.108 -5.683
345 HG LEU 45 HG LEU 45 -36.260 -4.217 -6.841
346 1HD1 LEU 45 2HD1 LEU 45 -36.786 -1.872 -6.433
347 2HD1 LEU 45 1HD1 LEU 45 -35.299 -1.388 -7.248
348 3HD1 LEU 45 3HD1 LEU 45 -36.583 -2.187 -8.158
349 1HD2 LEU 45 3HD2 LEU 45 -33.578 -3.351 -7.903
350 2HD2 LEU 45 2HD2 LEU 45 -34.286 -4.966 -7.897
351 3HD2 LEU 45 1HD2 LEU 45 -34.947 -3.715 -8.947
352 H GLN 46 H GLN 46 -32.759 -6.300 -4.190
353 HA GLN 46 HA GLN 46 -32.194 -5.038 -1.615
354 1HB GLN 46 2HB GLN 46 -31.138 -7.565 -2.896
355 2HB GLN 46 1HB GLN 46 -30.613 -6.965 -1.327
356 1HG GLN 46 2HG GLN 46 -33.167 -7.013 -0.786
357 2HG GLN 46 1HG GLN 46 -33.225 -8.152 -2.129
358 1HE2 GLN 46 2HE2 GLN 46 -31.666 -10.768 -0.409
359 2HE2 GLN 46 1HE2 GLN 46 -32.144 -10.134 -1.943
360 H CYS 47 H CYS 47 -30.396 -3.867 -1.184
361 HA CYS 47 HA CYS 47 -28.836 -2.904 -3.399
362 1HB CYS 47 2HB CYS 47 -29.143 -2.225 -0.530
363 2HB CYS 47 1HB CYS 47 -27.578 -1.852 -1.237
364 H ILE 48 H ILE 48 -27.452 -4.382 -4.227
365 HA ILE 48 HA ILE 48 -25.878 -6.067 -2.473
366 HB ILE 48 HB ILE 48 -25.730 -5.881 -5.478
367 1HG1 ILE 48 2HG1 ILE 48 -27.949 -6.510 -5.109
368 2HG1 ILE 48 1HG1 ILE 48 -27.123 -8.059 -5.246
369 1HG2 ILE 48 3HG2 ILE 48 -23.830 -6.962 -4.185
370 2HG2 ILE 48 2HG2 ILE 48 -24.992 -8.204 -3.718
371 3HG2 ILE 48 1HG2 ILE 48 -24.605 -7.953 -5.421
372 1HD1 ILE 48 1HD1 ILE 48 -27.007 -8.104 -2.747
373 2HD1 ILE 48 3HD1 ILE 48 -28.058 -6.689 -2.742
374 3HD1 ILE 48 2HD1 ILE 48 -28.630 -8.210 -3.428
375 H CYS 49 H CYS 49 -24.039 -5.402 -1.616
376 HA CYS 49 HA CYS 49 -22.549 -3.223 -2.881
377 1HB CYS 49 2HB CYS 49 -22.332 -4.545 -0.171
378 2HB CYS 49 1HB CYS 49 -21.193 -3.334 -0.743
379 H ASP 50 H ASP 50 -21.113 -3.822 -4.360
380 HA ASP 50 HA ASP 50 -19.868 -6.444 -4.242
381 1HB ASP 50 2HB ASP 50 -19.041 -4.524 -6.348
382 2HB ASP 50 1HB ASP 50 -19.485 -6.224 -6.478
383 H TYR 51 H TYR 51 -17.695 -6.844 -3.995
384 HA TYR 51 HA TYR 51 -16.115 -4.598 -2.916
385 1HB TYR 51 2HB TYR 51 -16.250 -7.512 -2.210
386 2HB TYR 51 1HB TYR 51 -14.823 -6.559 -1.810
387 HD1 TYR 51 HD1 TYR 51 -18.389 -7.085 -1.115
388 HD2 TYR 51 HD2 TYR 51 -14.916 -4.842 -0.103
389 HE1 TYR 51 HE1 TYR 51 -19.514 -6.263 0.906
390 HE2 TYR 51 HE2 TYR 51 -16.031 -4.020 1.927
391 HH TYR 51 HH TYR 51 -18.180 -5.149 3.432
392 H CYS 52 H CYS 52 -16.360 -6.524 -5.607
393 HA CYS 52 HA CYS 52 -13.568 -5.985 -6.303
394 1HB CYS 52 2HB CYS 52 -14.857 -8.639 -6.944
395 2HB CYS 52 1HB CYS 52 -13.166 -8.187 -7.117
396 H GLU 53 H GLU 53 -14.877 -8.039 -8.508
397 HA GLU 53 HA GLU 53 -16.680 -6.526 -9.998
398 1HB GLU 53 2HB GLU 53 -15.217 -5.707 -11.819
399 2HB GLU 53 1HB GLU 53 -14.894 -4.903 -10.293
400 1HG GLU 53 2HG GLU 53 -13.279 -7.288 -11.045
401 2HG GLU 53 1HG GLU 53 -12.938 -5.737 -11.811
402 H TYR 54 HN TYR 54 -15.584 -9.296 -9.267
403 HA TYR 54 HA TYR 54 -15.641 -10.444 -11.987
404 1HB TYR 54 2HB TYR 54 -14.307 -11.525 -9.495
405 2HB TYR 54 1HB TYR 54 -14.365 -12.346 -11.054
406 HD1 TYR 54 HD1 TYR 54 -13.609 -10.614 -13.057
407 HD2 TYR 54 HD2 TYR 54 -12.286 -10.545 -9.016
408 HE1 TYR 54 HE1 TYR 54 -11.571 -9.437 -13.752
409 HE2 TYR 54 HE2 TYR 54 -10.240 -9.366 -9.699
410 HH TYR 54 HH TYR 54 -9.024 -8.634 -11.413
No H/Q in entry = 410
Start of MODEL 13
1 HN PCA 1 HN PCA 1 -21.639 -18.524 -9.163
2 HA PCA 1 HA PCA 1 -21.932 -16.075 -9.755
3 1HB PCA 1 1HB PCA 1 -23.007 -14.860 -8.177
4 2HB PCA 1 2HB PCA 1 -21.581 -14.979 -7.123
5 1HG PCA 1 1HG PCA 1 -24.088 -16.367 -6.867
6 2HG PCA 1 2HG PCA 1 -22.643 -16.553 -5.856
7 H ASP 2 H ASP 2 -20.278 -14.204 -8.795
8 HA ASP 2 HA ASP 2 -17.694 -15.286 -9.336
9 1HB ASP 2 2HB ASP 2 -18.608 -12.533 -8.483
10 2HB ASP 2 1HB ASP 2 -16.929 -12.925 -8.840
11 H LYS 3 H LYS 3 -17.732 -12.925 -6.855
12 HA LYS 3 HA LYS 3 -17.871 -14.135 -4.475
13 1HB LYS 3 2HB LYS 3 -16.436 -15.922 -4.886
14 2HB LYS 3 1HB LYS 3 -15.338 -14.957 -5.857
15 1HG LYS 3 2HG LYS 3 -15.414 -14.053 -3.087
16 2HG LYS 3 1HG LYS 3 -14.994 -15.755 -3.209
17 1HD LYS 3 2HD LYS 3 -13.628 -13.760 -4.975
18 2HD LYS 3 1HD LYS 3 -13.122 -13.951 -3.296
19 1HE LYS 3 2HE LYS 3 -11.743 -15.374 -4.613
20 2HE LYS 3 1HE LYS 3 -12.878 -16.407 -3.746
21 1HZ LYS 3 3HZ LYS 3 -13.419 -15.492 -6.503
22 2HZ LYS 3 2HZ LYS 3 -12.497 -16.876 -6.199
23 3HZ LYS 3 1HZ LYS 3 -14.102 -16.799 -5.674
24 H CYS 4 H CYS 4 -18.376 -11.943 -4.185
25 HA CYS 4 HA CYS 4 -16.725 -10.383 -2.756
26 1HB CYS 4 2HB CYS 4 -16.020 -10.224 -5.624
27 2HB CYS 4 1HB CYS 4 -16.152 -8.672 -4.804
28 H LYS 5 H LYS 5 -19.494 -10.908 -3.140
29 HA LYS 5 HA LYS 5 -20.480 -8.163 -3.213
30 1HB LYS 5 2HB LYS 5 -22.138 -8.488 -4.823
31 2HB LYS 5 1HB LYS 5 -20.739 -9.296 -5.511
32 1HG LYS 5 2HG LYS 5 -23.042 -10.635 -4.100
33 2HG LYS 5 1HG LYS 5 -22.755 -10.605 -5.839
34 1HD LYS 5 2HD LYS 5 -20.728 -11.881 -5.581
35 2HD LYS 5 1HD LYS 5 -20.855 -11.801 -3.824
36 1HE LYS 5 2HE LYS 5 -23.071 -12.994 -5.437
37 2HE LYS 5 1HE LYS 5 -21.629 -13.942 -5.076
38 1HZ LYS 5 3HZ LYS 5 -22.218 -12.953 -2.668
39 2HZ LYS 5 2HZ LYS 5 -23.772 -13.098 -3.320
40 3HZ LYS 5 1HZ LYS 5 -22.766 -14.454 -3.227
41 H LYS 6 H LYS 6 -22.137 -7.758 -1.830
42 HA LYS 6 HA LYS 6 -23.671 -9.930 -0.674
43 1HB LYS 6 2HB LYS 6 -22.954 -9.767 1.520
44 2HB LYS 6 1HB LYS 6 -21.447 -9.571 0.637
45 1HG LYS 6 2HG LYS 6 -21.799 -7.076 0.845
46 2HG LYS 6 1HG LYS 6 -23.091 -7.454 1.988
47 1HD LYS 6 2HD LYS 6 -21.473 -8.712 3.359
48 2HD LYS 6 1HD LYS 6 -20.192 -8.258 2.234
49 1HE LYS 6 2HE LYS 6 -21.017 -5.829 2.737
50 2HE LYS 6 1HE LYS 6 -21.692 -6.571 4.187
51 1HZ LYS 6 2HZ LYS 6 -18.901 -7.146 3.528
52 2HZ LYS 6 1HZ LYS 6 -19.262 -5.613 4.141
53 3HZ LYS 6 3HZ LYS 6 -19.643 -6.995 5.041
54 H VAL 7 H VAL 7 -25.654 -9.288 0.087
55 HA VAL 7 HA VAL 7 -26.682 -6.871 -0.848
56 HB VAL 7 HB VAL 7 -28.730 -7.579 -0.200
57 1HG1 VAL 7 2HG1 VAL 7 -27.436 -9.462 -1.282
58 2HG1 VAL 7 1HG1 VAL 7 -27.314 -10.175 0.328
59 3HG1 VAL 7 3HG1 VAL 7 -28.898 -9.915 -0.404
60 1HG2 VAL 7 1HG2 VAL 7 -27.512 -8.654 2.340
61 2HG2 VAL 7 3HG2 VAL 7 -28.519 -7.217 2.162
62 3HG2 VAL 7 2HG2 VAL 7 -29.213 -8.815 1.901
63 H TYR 8 H TYR 8 -27.605 -5.094 0.264
64 HA TYR 8 HA TYR 8 -25.895 -4.184 2.424
65 1HB TYR 8 2HB TYR 8 -26.132 -2.645 0.623
66 2HB TYR 8 1HB TYR 8 -27.883 -2.802 0.633
67 HD1 TYR 8 HD2 TYR 8 -24.987 -1.353 2.370
68 HD2 TYR 8 HD1 TYR 8 -29.232 -1.555 2.174
69 HE1 TYR 8 HE2 TYR 8 -25.143 0.588 3.868
70 HE2 TYR 8 HE1 TYR 8 -29.394 0.393 3.659
71 HH TYR 8 HH TYR 8 -28.221 1.690 5.137
72 H GLU 9 H GLU 9 -28.962 -5.451 1.995
73 HA GLU 9 HA GLU 9 -30.943 -5.270 3.235
74 1HB GLU 9 2HB GLU 9 -30.502 -6.560 5.377
75 2HB GLU 9 1HB GLU 9 -30.010 -7.334 3.876
76 1HG GLU 9 2HG GLU 9 -27.792 -7.171 4.355
77 2HG GLU 9 1HG GLU 9 -27.988 -5.672 5.263
78 H ASN 10 H ASN 10 -31.903 -3.502 3.993
79 HA ASN 10 HA ASN 10 -31.826 -2.697 6.581
80 1HB ASN 10 2HB ASN 10 -29.702 -1.860 6.677
81 2HB ASN 10 1HB ASN 10 -29.699 -1.380 4.993
82 1HD2 ASN 10 2HD2 ASN 10 -30.971 1.152 7.904
83 2HD2 ASN 10 1HD2 ASN 10 -30.688 -0.523 8.218
84 H TYR 11 H TYR 11 -31.626 -0.554 3.669
85 HA TYR 11 HA TYR 11 -33.745 1.051 4.351
86 1HB TYR 11 2HB TYR 11 -33.747 0.251 1.483
87 2HB TYR 11 1HB TYR 11 -33.779 1.850 2.204
88 HD1 TYR 11 HD1 TYR 11 -31.572 2.768 3.133
89 HD2 TYR 11 HD2 TYR 11 -31.811 -0.590 0.530
90 HE1 TYR 11 HE1 TYR 11 -29.231 3.117 2.465
91 HE2 TYR 11 HE2 TYR 11 -29.493 -0.261 -0.125
92 HH TYR 11 HH TYR 11 -27.878 2.253 0.004
93 HA PRO 12 HA PRO 12 -37.457 -1.311 3.981
94 1HB PRO 12 2HB PRO 12 -38.649 0.359 1.867
95 2HB PRO 12 1HB PRO 12 -39.171 0.134 3.539
96 1HG PRO 12 2HG PRO 12 -38.078 2.442 2.692
97 2HG PRO 12 1HG PRO 12 -37.814 1.823 4.333
98 1HD PRO 12 2HD PRO 12 -36.013 1.695 1.944
99 2HD PRO 12 1HD PRO 12 -35.613 2.061 3.636
100 H VAL 13 H VAL 13 -35.582 -0.636 1.282
101 HA VAL 13 HA VAL 13 -34.799 -2.262 -0.237
102 HB VAL 13 HB VAL 13 -36.516 -3.950 0.817
103 1HG1 VAL 13 3HG1 VAL 13 -38.386 -2.491 -0.417
104 2HG1 VAL 13 2HG1 VAL 13 -38.031 -3.616 -1.717
105 3HG1 VAL 13 1HG1 VAL 13 -38.570 -4.225 -0.153
106 1HG2 VAL 13 2HG2 VAL 13 -34.700 -4.311 -1.029
107 2HG2 VAL 13 1HG2 VAL 13 -35.934 -5.533 -0.753
108 3HG2 VAL 13 3HG2 VAL 13 -36.096 -4.413 -2.100
109 H SER 14 H SER 14 -37.576 -0.277 -0.255
110 HA SER 14 HA SER 14 -38.188 -0.253 -2.998
111 1HB SER 14 2HB SER 14 -39.658 1.417 -2.476
112 2HB SER 14 1HB SER 14 -39.318 0.883 -0.831
113 HG SER 14 HG SER 14 -39.077 3.260 -1.567
114 H LYS 15 H LYS 15 -35.747 1.412 -1.107
115 HA LYS 15 HA LYS 15 -35.003 3.270 -3.121
116 1HB LYS 15 2HB LYS 15 -33.858 2.344 -0.535
117 2HB LYS 15 1HB LYS 15 -32.769 3.150 -1.658
118 1HG LYS 15 2HG LYS 15 -33.816 5.166 -1.453
119 2HG LYS 15 1HG LYS 15 -35.382 4.440 -1.086
120 1HD LYS 15 2HD LYS 15 -34.819 4.066 1.147
121 2HD LYS 15 1HD LYS 15 -33.091 4.216 0.835
122 1HE LYS 15 2HE LYS 15 -33.133 6.448 1.132
123 2HE LYS 15 1HE LYS 15 -34.596 6.634 0.163
124 1HZ LYS 15 3HZ LYS 15 -35.784 5.689 2.192
125 2HZ LYS 15 2HZ LYS 15 -34.366 6.043 3.045
126 3HZ LYS 15 1HZ LYS 15 -35.224 7.284 2.284
127 H CYS 16 H CYS 16 -33.262 3.234 -4.530
128 HA CYS 16 HA CYS 16 -31.417 1.145 -4.774
129 1HB CYS 16 2HB CYS 16 -34.030 0.618 -5.911
130 2HB CYS 16 1HB CYS 16 -32.798 0.588 -7.164
131 H GLN 17 H GLN 17 -33.283 2.743 -7.356
132 HA GLN 17 HA GLN 17 -32.595 4.096 -9.054
133 1HB GLN 17 2HB GLN 17 -30.802 5.434 -7.046
134 2HB GLN 17 1HB GLN 17 -31.698 6.160 -8.374
135 1HG GLN 17 2HG GLN 17 -33.800 5.491 -7.116
136 2HG GLN 17 1HG GLN 17 -32.742 5.166 -5.744
137 1HE2 GLN 17 2HE2 GLN 17 -34.021 8.583 -5.365
138 2HE2 GLN 17 1HE2 GLN 17 -34.674 6.985 -5.415
139 H LEU 18 H LEU 18 -31.087 1.668 -8.561
140 HA LEU 18 HA LEU 18 -29.127 0.628 -9.099
141 1HB LEU 18 2HB LEU 18 -29.380 2.741 -11.224
142 2HB LEU 18 1HB LEU 18 -28.243 1.408 -11.324
143 HG LEU 18 HG LEU 18 -30.942 0.459 -10.802
144 1HD1 LEU 18 1HD1 LEU 18 -30.511 2.248 -13.169
145 2HD1 LEU 18 3HD1 LEU 18 -31.702 0.947 -13.187
146 3HD1 LEU 18 2HD1 LEU 18 -31.837 2.250 -12.006
147 1HD2 LEU 18 3HD2 LEU 18 -28.947 -0.838 -11.637
148 2HD2 LEU 18 2HD2 LEU 18 -30.451 -1.089 -12.522
149 3HD2 LEU 18 1HD2 LEU 18 -29.195 -0.052 -13.197
150 H ALA 19 H ALA 19 -27.108 2.465 -10.710
151 HA ALA 19 HA ALA 19 -25.192 2.683 -8.717
152 1HB ALA 19 3HB ALA 19 -24.979 2.752 -11.297
153 2HB ALA 19 2HB ALA 19 -25.151 4.495 -11.091
154 3HB ALA 19 1HB ALA 19 -23.820 3.643 -10.309
155 H ASN 20 H ASN 20 -26.348 3.718 -6.940
156 HA ASN 20 HA ASN 20 -25.635 6.408 -6.632
157 1HB ASN 20 2HB ASN 20 -27.527 6.809 -8.179
158 2HB ASN 20 1HB ASN 20 -28.602 6.003 -7.045
159 1HD2 ASN 20 2HD2 ASN 20 -26.980 9.239 -5.269
160 2HD2 ASN 20 1HD2 ASN 20 -26.033 7.882 -5.768
161 H GLN 21 H GLN 21 -28.631 6.236 -5.274
162 HA GLN 21 HA GLN 21 -27.783 6.138 -2.629
163 1HB GLN 21 2HB GLN 21 -30.029 6.931 -3.703
164 2HB GLN 21 1HB GLN 21 -30.551 5.281 -3.379
165 1HG GLN 21 2HG GLN 21 -31.255 6.388 -1.496
166 2HG GLN 21 1HG GLN 21 -29.697 5.745 -0.980
167 1HE2 GLN 21 2HE2 GLN 21 -28.105 8.901 -0.826
168 2HE2 GLN 21 1HE2 GLN 21 -27.848 7.218 -1.121
169 H CYS 22 H CYS 22 -26.445 4.036 -3.435
170 HA CYS 22 HA CYS 22 -27.060 2.016 -1.652
171 1HB CYS 22 2HB CYS 22 -28.264 1.659 -4.355
172 2HB CYS 22 1HB CYS 22 -27.516 0.248 -3.612
173 H ASN 23 H ASN 23 -25.895 2.232 -5.014
174 HA ASN 23 HA ASN 23 -23.634 0.600 -4.646
175 1HB ASN 23 2HB ASN 23 -24.592 1.364 -6.864
176 2HB ASN 23 1HB ASN 23 -23.843 2.930 -6.564
177 1HD2 ASN 23 2HD2 ASN 23 -20.500 1.452 -6.702
178 2HD2 ASN 23 1HD2 ASN 23 -21.442 2.374 -5.584
179 H TYR 24 H TYR 24 -24.026 4.131 -4.606
180 HA TYR 24 HA TYR 24 -21.400 4.774 -3.874
181 1HB TYR 24 2HB TYR 24 -22.379 6.742 -4.406
182 2HB TYR 24 1HB TYR 24 -23.985 6.140 -4.018
183 HD1 TYR 24 HD1 TYR 24 -20.867 7.060 -2.173
184 HD2 TYR 24 HD2 TYR 24 -25.108 7.295 -2.388
185 HE1 TYR 24 HE1 TYR 24 -20.884 8.445 -0.145
186 HE2 TYR 24 HE2 TYR 24 -25.138 8.680 -0.357
187 HH TYR 24 HH TYR 24 -22.586 8.955 1.724
188 H ASP 25 H ASP 25 -24.289 4.246 -1.858
189 HA ASP 25 HA ASP 25 -23.172 4.713 0.631
190 1HB ASP 25 2HB ASP 25 -25.204 2.557 0.006
191 2HB ASP 25 1HB ASP 25 -24.955 3.353 1.557
192 H CYS 26 H CYS 26 -23.393 1.579 -1.076
193 HA CYS 26 HA CYS 26 -21.994 0.056 0.781
194 1HB CYS 26 2HB CYS 26 -21.958 -0.171 -2.242
195 2HB CYS 26 1HB CYS 26 -21.386 -1.412 -1.137
196 H LYS 27 H LYS 27 -20.827 1.958 -1.947
197 HA LYS 27 HA LYS 27 -18.102 1.409 -1.674
198 1HB LYS 27 2HB LYS 27 -19.701 2.864 -3.409
199 2HB LYS 27 1HB LYS 27 -18.667 4.091 -2.698
200 1HG LYS 27 2HG LYS 27 -16.722 3.110 -3.534
201 2HG LYS 27 1HG LYS 27 -17.515 1.564 -3.829
202 1HD LYS 27 2HD LYS 27 -17.262 2.522 -5.954
203 2HD LYS 27 1HD LYS 27 -18.951 2.814 -5.534
204 1HE LYS 27 2HE LYS 27 -17.812 4.775 -6.543
205 2HE LYS 27 1HE LYS 27 -18.466 5.086 -4.935
206 1HZ LYS 27 1HZ LYS 27 -15.650 4.277 -5.296
207 2HZ LYS 27 3HZ LYS 27 -16.115 5.895 -5.465
208 3HZ LYS 27 2HZ LYS 27 -16.359 5.094 -3.996
209 H LEU 28 H LEU 28 -19.725 2.534 0.811
210 HA LEU 28 HA LEU 28 -17.428 3.831 1.933
211 1HB LEU 28 2HB LEU 28 -18.243 5.716 0.700
212 2HB LEU 28 1HB LEU 28 -19.869 5.476 1.307
213 HG LEU 28 HG LEU 28 -19.122 6.081 3.566
214 1HD1 LEU 28 2HD1 LEU 28 -16.456 6.431 2.215
215 2HD1 LEU 28 1HD1 LEU 28 -16.851 7.113 3.792
216 3HD1 LEU 28 3HD1 LEU 28 -16.854 5.365 3.563
217 1HD2 LEU 28 2HD2 LEU 28 -19.953 7.786 1.956
218 2HD2 LEU 28 1HD2 LEU 28 -18.860 8.431 3.180
219 3HD2 LEU 28 3HD2 LEU 28 -18.277 8.144 1.540
220 H ASP 29 H ASP 29 -20.860 3.070 2.246
221 HA ASP 29 HA ASP 29 -20.985 3.452 5.054
222 1HB ASP 29 2HB ASP 29 -22.719 1.994 3.077
223 2HB ASP 29 1HB ASP 29 -23.041 1.901 4.805
224 H LYS 30 H LYS 30 -20.459 0.583 3.030
225 HA LYS 30 HA LYS 30 -19.767 -0.942 5.456
226 1HB LYS 30 2HB LYS 30 -20.533 -1.914 2.697
227 2HB LYS 30 1HB LYS 30 -20.087 -2.954 4.043
228 1HG LYS 30 2HG LYS 30 -22.292 -1.016 4.481
229 2HG LYS 30 1HG LYS 30 -22.616 -2.411 3.448
230 1HD LYS 30 2HD LYS 30 -22.103 -3.933 5.190
231 2HD LYS 30 1HD LYS 30 -21.396 -2.661 6.188
232 1HE LYS 30 2HE LYS 30 -23.570 -1.634 6.478
233 2HE LYS 30 1HE LYS 30 -24.302 -2.819 5.398
234 1HZ LYS 30 1HZ LYS 30 -22.861 -3.733 7.794
235 2HZ LYS 30 3HZ LYS 30 -24.438 -3.141 7.948
236 3HZ LYS 30 2HZ LYS 30 -24.130 -4.479 6.959
237 H HIS 31 H HIS 31 -18.296 0.818 3.131
238 HA HIS 31 HA HIS 31 -16.086 1.050 2.592
239 1HB HIS 31 2HB HIS 31 -15.289 -1.531 3.862
240 2HB HIS 31 1HB HIS 31 -14.449 0.015 3.838
241 HD1 HIS 31 HD1 HIS 31 -15.173 -1.849 6.380
242 HD2 HIS 31 HD2 HIS 31 -17.000 1.708 5.252
243 HE1 HIS 31 HE1 HIS 31 -16.216 -0.937 8.477
244 HE2 HIS 31 HE2 HIS 31 -17.216 1.272 7.792
245 H ALA 32 H ALA 32 -17.989 -0.291 0.931
246 HA ALA 32 HA ALA 32 -16.581 -2.520 -0.286
247 1HB ALA 32 3HB ALA 32 -19.146 -2.244 0.002
248 2HB ALA 32 2HB ALA 32 -19.026 -1.264 -1.459
249 3HB ALA 32 1HB ALA 32 -18.509 -2.950 -1.484
250 H ARG 33 H ARG 33 -16.677 -2.429 -2.846
251 HA ARG 33 HA ARG 33 -15.269 0.039 -3.627
252 1HB ARG 33 2HB ARG 33 -14.862 -2.824 -4.189
253 2HB ARG 33 1HB ARG 33 -14.734 -1.808 -5.612
254 1HG ARG 33 2HG ARG 33 -13.170 -0.480 -3.731
255 2HG ARG 33 1HG ARG 33 -12.856 -2.183 -3.412
256 1HD ARG 33 2HD ARG 33 -12.517 -2.404 -5.936
257 2HD ARG 33 1HD ARG 33 -12.454 -0.644 -5.959
258 HE ARG 33 HE ARG 33 -10.629 -2.155 -4.227
259 1HH1 ARG 33 1HH2 ARG 33 -11.161 0.000 -6.921
260 2HH1 ARG 33 2HH2 ARG 33 -9.493 0.445 -7.056
261 1HH2 ARG 33 2HH1 ARG 33 -8.433 -1.582 -4.409
262 2HH2 ARG 33 1HH1 ARG 33 -7.940 -0.462 -5.634
263 H SER 34 H SER 34 -18.189 -1.463 -3.918
264 HA SER 34 HA SER 34 -19.295 0.330 -5.701
265 1HB SER 34 2HB SER 34 -19.618 -1.535 -7.609
266 2HB SER 34 1HB SER 34 -18.275 -0.392 -7.626
267 HG SER 34 HG SER 34 -17.911 -2.748 -6.194
268 H GLY 35 H GLY 35 -21.285 -1.076 -6.946
269 1HA GLY 35 2HA GLY 35 -22.415 -3.143 -5.369
270 2HA GLY 35 1HA GLY 35 -23.098 -1.595 -4.902
271 H GLU 36 H GLU 36 -25.106 -2.667 -5.633
272 HA GLU 36 HA GLU 36 -25.929 -1.691 -8.131
273 1HB GLU 36 2HB GLU 36 -25.014 -4.536 -8.029
274 2HB GLU 36 1HB GLU 36 -26.438 -4.177 -8.986
275 1HG GLU 36 2HG GLU 36 -24.658 -2.266 -9.848
276 2HG GLU 36 1HG GLU 36 -23.617 -3.652 -9.547
277 H CYS 37 H CYS 37 -28.007 -3.456 -8.727
278 HA CYS 37 HA CYS 37 -29.499 -3.840 -6.245
279 1HB CYS 37 2HB CYS 37 -30.072 -1.792 -8.313
280 2HB CYS 37 1HB CYS 37 -31.460 -2.693 -7.714
281 H PHE 38 H PHE 38 -30.744 -5.627 -6.304
282 HA PHE 38 HA PHE 38 -31.626 -6.698 -8.871
283 1HB PHE 38 2HB PHE 38 -29.899 -8.246 -6.934
284 2HB PHE 38 1HB PHE 38 -30.763 -8.963 -8.289
285 HD1 PHE 38 HD2 PHE 38 -30.057 -8.541 -10.577
286 HD2 PHE 38 HD1 PHE 38 -27.921 -6.930 -7.269
287 HE1 PHE 38 HE2 PHE 38 -28.146 -8.062 -12.051
288 HE2 PHE 38 HE1 PHE 38 -26.005 -6.451 -8.736
289 HZ PHE 38 HZ PHE 38 -26.115 -7.016 -11.131
290 H TYR 39 H TYR 39 -32.975 -8.706 -8.529
291 HA TYR 39 HA TYR 39 -34.783 -8.249 -6.260
292 1HB TYR 39 2HB TYR 39 -35.155 -9.678 -8.903
293 2HB TYR 39 1HB TYR 39 -36.361 -9.673 -7.626
294 HD1 TYR 39 HD1 TYR 39 -34.247 -6.963 -9.154
295 HD2 TYR 39 HD2 TYR 39 -38.157 -8.380 -8.245
296 HE1 TYR 39 HE1 TYR 39 -35.201 -4.897 -10.066
297 HE2 TYR 39 HE2 TYR 39 -39.119 -6.312 -9.162
298 HH TYR 39 HH TYR 39 -38.305 -4.533 -10.939
299 H ASP 40 H ASP 40 -34.634 -9.634 -4.569
300 HA ASP 40 HA ASP 40 -33.637 -12.369 -5.102
301 1HB ASP 40 2HB ASP 40 -32.429 -12.363 -3.075
302 2HB ASP 40 1HB ASP 40 -32.052 -10.831 -3.859
303 H GLU 41 H GLU 41 -34.930 -13.924 -4.647
304 HA GLU 41 HA GLU 41 -37.047 -14.791 -4.140
305 1HB GLU 41 2HB GLU 41 -35.074 -15.553 -2.623
306 2HB GLU 41 1HB GLU 41 -35.929 -14.667 -1.368
307 1HG GLU 41 2HG GLU 41 -37.931 -16.038 -1.812
308 2HG GLU 41 1HG GLU 41 -37.001 -16.961 -2.991
309 H LYS 42 H LYS 42 -37.366 -11.936 -4.145
310 HA LYS 42 HA LYS 42 -39.604 -11.788 -2.283
311 1HB LYS 42 2HB LYS 42 -37.294 -9.857 -2.287
312 2HB LYS 42 1HB LYS 42 -38.882 -9.408 -1.684
313 1HG LYS 42 2HG LYS 42 -38.495 -11.697 -0.311
314 2HG LYS 42 1HG LYS 42 -36.825 -11.160 -0.494
315 1HD LYS 42 2HD LYS 42 -39.086 -9.508 0.634
316 2HD LYS 42 1HD LYS 42 -37.853 -10.334 1.586
317 1HE LYS 42 2HE LYS 42 -37.115 -8.349 -0.537
318 2HE LYS 42 1HE LYS 42 -37.547 -7.829 1.092
319 1HZ LYS 42 3HZ LYS 42 -35.770 -9.723 1.641
320 2HZ LYS 42 2HZ LYS 42 -35.164 -9.197 0.152
321 3HZ LYS 42 1HZ LYS 42 -35.353 -8.099 1.425
322 H ARG 43 H ARG 43 -38.310 -11.262 -5.295
323 HA ARG 43 HA ARG 43 -39.048 -10.234 -7.184
324 1HB ARG 43 2HB ARG 43 -41.720 -9.855 -5.862
325 2HB ARG 43 1HB ARG 43 -41.364 -10.210 -7.548
326 1HG ARG 43 2HG ARG 43 -40.978 -12.126 -5.257
327 2HG ARG 43 1HG ARG 43 -42.353 -12.121 -6.364
328 1HD ARG 43 2HD ARG 43 -40.653 -12.366 -8.234
329 2HD ARG 43 1HD ARG 43 -39.470 -12.717 -6.977
330 HE ARG 43 HE ARG 43 -41.816 -14.363 -7.636
331 1HH1 ARG 43 1HH2 ARG 43 -38.727 -13.977 -6.054
332 2HH1 ARG 43 2HH2 ARG 43 -38.568 -15.660 -5.680
333 1HH2 ARG 43 2HH1 ARG 43 -41.607 -16.577 -7.142
334 2HH2 ARG 43 1HH1 ARG 43 -40.201 -17.135 -6.299
335 H ASN 44 H ASN 44 -38.400 -8.710 -4.509
336 HA ASN 44 HA ASN 44 -39.545 -6.108 -5.172
337 1HB ASN 44 2HB ASN 44 -37.914 -7.041 -2.803
338 2HB ASN 44 1HB ASN 44 -38.492 -5.394 -3.021
339 1HD2 ASN 44 2HD2 ASN 44 -41.061 -6.606 -0.922
340 2HD2 ASN 44 1HD2 ASN 44 -39.510 -5.847 -0.932
341 H LEU 45 H LEU 45 -36.879 -5.215 -3.629
342 HA LEU 45 HA LEU 45 -34.994 -5.391 -5.823
343 1HB LEU 45 2HB LEU 45 -36.742 -3.130 -5.485
344 2HB LEU 45 1HB LEU 45 -35.074 -2.617 -5.294
345 HG LEU 45 HG LEU 45 -36.179 -4.107 -7.677
346 1HD1 LEU 45 1HD1 LEU 45 -35.551 -1.206 -7.190
347 2HD1 LEU 45 3HD1 LEU 45 -35.680 -1.898 -8.807
348 3HD1 LEU 45 2HD1 LEU 45 -37.072 -1.921 -7.724
349 1HD2 LEU 45 2HD2 LEU 45 -33.449 -3.324 -6.815
350 2HD2 LEU 45 1HD2 LEU 45 -33.988 -4.702 -7.775
351 3HD2 LEU 45 3HD2 LEU 45 -33.850 -3.110 -8.520
352 H GLN 46 H GLN 46 -33.484 -6.296 -4.456
353 HA GLN 46 HA GLN 46 -32.761 -4.873 -2.018
354 1HB GLN 46 2HB GLN 46 -32.231 -6.925 -1.269
355 2HB GLN 46 1HB GLN 46 -32.663 -7.595 -2.835
356 1HG GLN 46 2HG GLN 46 -30.353 -7.155 -3.601
357 2HG GLN 46 1HG GLN 46 -29.957 -6.622 -1.969
358 1HE2 GLN 46 2HE2 GLN 46 -31.009 -10.183 -1.019
359 2HE2 GLN 46 1HE2 GLN 46 -31.908 -8.708 -0.971
360 H CYS 47 H CYS 47 -30.561 -4.241 -1.597
361 HA CYS 47 HA CYS 47 -29.228 -3.297 -4.044
362 1HB CYS 47 2HB CYS 47 -29.520 -2.208 -1.280
363 2HB CYS 47 1HB CYS 47 -28.135 -1.718 -2.246
364 H ILE 48 H ILE 48 -27.519 -4.396 -4.647
365 HA ILE 48 HA ILE 48 -26.060 -6.029 -2.752
366 HB ILE 48 HB ILE 48 -26.039 -5.838 -5.739
367 1HG1 ILE 48 2HG1 ILE 48 -26.600 -8.055 -3.759
368 2HG1 ILE 48 1HG1 ILE 48 -27.793 -7.176 -4.710
369 1HG2 ILE 48 3HG2 ILE 48 -24.044 -7.253 -3.984
370 2HG2 ILE 48 2HG2 ILE 48 -24.319 -7.687 -5.670
371 3HG2 ILE 48 1HG2 ILE 48 -23.725 -6.079 -5.261
372 1HD1 ILE 48 2HD1 ILE 48 -26.125 -8.166 -6.634
373 2HD1 ILE 48 1HD1 ILE 48 -26.128 -9.451 -5.428
374 3HD1 ILE 48 3HD1 ILE 48 -27.650 -8.890 -6.120
375 H CYS 49 H CYS 49 -24.110 -5.684 -1.962
376 HA CYS 49 HA CYS 49 -22.686 -3.240 -2.749
377 1HB CYS 49 2HB CYS 49 -22.473 -4.983 -0.285
378 2HB CYS 49 1HB CYS 49 -21.416 -3.616 -0.613
379 H ASP 50 H ASP 50 -21.146 -3.565 -4.238
380 HA ASP 50 HA ASP 50 -19.808 -6.158 -4.388
381 1HB ASP 50 2HB ASP 50 -20.726 -4.385 -6.331
382 2HB ASP 50 1HB ASP 50 -18.979 -4.176 -6.378
383 H TYR 51 H TYR 51 -17.677 -6.489 -4.117
384 HA TYR 51 HA TYR 51 -16.111 -4.263 -2.981
385 1HB TYR 51 2HB TYR 51 -16.117 -7.213 -2.420
386 2HB TYR 51 1HB TYR 51 -14.795 -6.172 -1.907
387 HD1 TYR 51 HD2 TYR 51 -18.374 -6.929 -1.464
388 HD2 TYR 51 HD1 TYR 51 -15.044 -4.702 -0.030
389 HE1 TYR 51 HE2 TYR 51 -19.635 -6.364 0.570
390 HE2 TYR 51 HE1 TYR 51 -16.295 -4.132 2.010
391 HH TYR 51 HH TYR 51 -18.326 -5.305 3.316
392 H CYS 52 H CYS 52 -16.226 -6.763 -5.380
393 HA CYS 52 HA CYS 52 -13.737 -5.768 -6.535
394 1HB CYS 52 2HB CYS 52 -14.046 -8.729 -6.503
395 2HB CYS 52 1HB CYS 52 -12.584 -7.747 -6.479
396 H GLU 53 H GLU 53 -15.763 -4.929 -7.765
397 HA GLU 53 HA GLU 53 -16.881 -6.852 -9.623
398 1HB GLU 53 2HB GLU 53 -18.088 -4.818 -8.548
399 2HB GLU 53 1HB GLU 53 -17.278 -3.878 -9.793
400 1HG GLU 53 2HG GLU 53 -18.397 -5.023 -11.525
401 2HG GLU 53 1HG GLU 53 -18.980 -6.269 -10.423
402 H TYR 54 HN TYR 54 -14.018 -6.378 -9.719
403 HA TYR 54 HA TYR 54 -13.819 -5.457 -12.511
404 1HB TYR 54 2HB TYR 54 -11.900 -4.823 -10.260
405 2HB TYR 54 1HB TYR 54 -11.577 -4.507 -11.962
406 HD1 TYR 54 HD2 TYR 54 -13.556 -3.512 -9.038
407 HD2 TYR 54 HD1 TYR 54 -12.680 -2.686 -13.119
408 HE1 TYR 54 HE2 TYR 54 -14.689 -1.342 -8.837
409 HE2 TYR 54 HE1 TYR 54 -13.811 -0.514 -12.927
410 HH TYR 54 HH TYR 54 -15.766 0.400 -11.274
No H/Q in entry = 410
Start of MODEL 14
1 HN PCA 1 HN PCA 1 -18.295 -11.703 -9.489
2 HA PCA 1 HA PCA 1 -19.496 -13.731 -10.442
3 1HB PCA 1 1HB PCA 1 -18.921 -14.258 -12.564
4 2HB PCA 1 2HB PCA 1 -17.305 -14.755 -12.006
5 1HG PCA 1 1HG PCA 1 -18.042 -12.342 -13.413
6 2HG PCA 1 2HG PCA 1 -16.435 -12.812 -12.832
7 H ASP 2 H ASP 2 -17.601 -12.955 -8.265
8 HA ASP 2 HA ASP 2 -16.876 -15.668 -7.470
9 1HB ASP 2 2HB ASP 2 -14.896 -13.423 -7.114
10 2HB ASP 2 1HB ASP 2 -14.636 -15.151 -6.901
11 H LYS 3 H LYS 3 -16.957 -16.022 -5.270
12 HA LYS 3 HA LYS 3 -18.719 -14.740 -3.700
13 1HB LYS 3 2HB LYS 3 -16.225 -15.659 -2.341
14 2HB LYS 3 1HB LYS 3 -17.904 -15.937 -1.901
15 1HG LYS 3 2HG LYS 3 -18.078 -17.469 -3.870
16 2HG LYS 3 1HG LYS 3 -16.335 -17.294 -4.078
17 1HD LYS 3 2HD LYS 3 -16.024 -18.122 -1.761
18 2HD LYS 3 1HD LYS 3 -17.765 -18.397 -1.661
19 1HE LYS 3 2HE LYS 3 -16.147 -20.347 -2.315
20 2HE LYS 3 1HE LYS 3 -17.705 -20.169 -3.122
21 1HZ LYS 3 3HZ LYS 3 -16.523 -18.930 -4.895
22 2HZ LYS 3 2HZ LYS 3 -15.055 -19.323 -4.151
23 3HZ LYS 3 1HZ LYS 3 -16.045 -20.548 -4.766
24 H CYS 4 H CYS 4 -18.910 -12.626 -3.438
25 HA CYS 4 HA CYS 4 -17.210 -11.169 -1.769
26 1HB CYS 4 2HB CYS 4 -16.253 -11.359 -4.430
27 2HB CYS 4 1HB CYS 4 -16.812 -9.703 -4.211
28 H LYS 5 H LYS 5 -20.055 -11.703 -2.666
29 HA LYS 5 HA LYS 5 -20.962 -8.900 -2.842
30 1HB LYS 5 2HB LYS 5 -22.491 -11.336 -3.737
31 2HB LYS 5 1HB LYS 5 -22.918 -9.653 -4.006
32 1HG LYS 5 2HG LYS 5 -21.430 -9.396 -5.713
33 2HG LYS 5 1HG LYS 5 -20.315 -10.603 -5.067
34 1HD LYS 5 2HD LYS 5 -21.618 -12.387 -5.863
35 2HD LYS 5 1HD LYS 5 -23.014 -11.348 -6.146
36 1HE LYS 5 2HE LYS 5 -20.576 -10.618 -7.637
37 2HE LYS 5 1HE LYS 5 -21.303 -12.160 -8.089
38 1HZ LYS 5 1HZ LYS 5 -23.017 -9.787 -7.837
39 2HZ LYS 5 3HZ LYS 5 -22.071 -9.976 -9.227
40 3HZ LYS 5 2HZ LYS 5 -23.212 -11.154 -8.814
41 H LYS 6 H LYS 6 -22.313 -8.161 -1.275
42 HA LYS 6 HA LYS 6 -23.782 -10.050 0.366
43 1HB LYS 6 2HB LYS 6 -22.920 -8.762 2.457
44 2HB LYS 6 1HB LYS 6 -21.986 -10.086 1.786
45 1HG LYS 6 2HG LYS 6 -20.846 -8.080 0.448
46 2HG LYS 6 1HG LYS 6 -21.409 -7.183 1.858
47 1HD LYS 6 2HD LYS 6 -19.816 -9.726 2.090
48 2HD LYS 6 1HD LYS 6 -19.060 -8.139 1.979
49 1HE LYS 6 2HE LYS 6 -20.960 -9.106 4.107
50 2HE LYS 6 1HE LYS 6 -19.245 -8.736 4.296
51 1HZ LYS 6 1HZ LYS 6 -19.873 -6.407 3.568
52 2HZ LYS 6 3HZ LYS 6 -21.483 -6.856 3.837
53 3HZ LYS 6 2HZ LYS 6 -20.375 -6.875 5.114
54 H VAL 7 H VAL 7 -25.738 -9.314 0.744
55 HA VAL 7 HA VAL 7 -26.635 -6.823 -0.161
56 HB VAL 7 HB VAL 7 -28.758 -7.395 0.633
57 1HG1 VAL 7 1HG1 VAL 7 -27.506 -9.096 -0.917
58 2HG1 VAL 7 3HG1 VAL 7 -27.663 -10.160 0.481
59 3HG1 VAL 7 2HG1 VAL 7 -29.103 -9.474 -0.273
60 1HG2 VAL 7 1HG2 VAL 7 -27.295 -8.907 2.768
61 2HG2 VAL 7 3HG2 VAL 7 -28.537 -7.666 2.933
62 3HG2 VAL 7 2HG2 VAL 7 -28.975 -9.285 2.387
63 H TYR 8 H TYR 8 -27.206 -4.931 0.880
64 HA TYR 8 HA TYR 8 -25.781 -4.420 3.343
65 1HB TYR 8 2HB TYR 8 -25.652 -2.735 1.608
66 2HB TYR 8 1HB TYR 8 -27.404 -2.618 1.534
67 HD1 TYR 8 HD1 TYR 8 -26.023 -2.883 4.886
68 HD2 TYR 8 HD2 TYR 8 -27.020 -0.153 1.769
69 HE1 TYR 8 HE1 TYR 8 -25.947 -1.032 6.489
70 HE2 TYR 8 HE2 TYR 8 -26.943 1.705 3.377
71 HH TYR 8 HH TYR 8 -27.258 1.574 6.354
72 H GLU 9 H GLU 9 -27.392 -6.134 4.220
73 HA GLU 9 HA GLU 9 -29.351 -6.702 5.300
74 1HB GLU 9 2HB GLU 9 -28.507 -4.162 6.699
75 2HB GLU 9 1HB GLU 9 -29.571 -5.390 7.376
76 1HG GLU 9 2HG GLU 9 -26.978 -6.382 6.398
77 2HG GLU 9 1HG GLU 9 -26.895 -5.294 7.786
78 H ASN 10 H ASN 10 -31.145 -5.014 6.710
79 HA ASN 10 HA ASN 10 -33.110 -4.593 4.784
80 1HB ASN 10 2HB ASN 10 -32.844 -3.570 7.607
81 2HB ASN 10 1HB ASN 10 -34.281 -3.300 6.624
82 1HD2 ASN 10 2HD2 ASN 10 -35.609 -6.259 7.792
83 2HD2 ASN 10 1HD2 ASN 10 -35.772 -4.561 7.522
84 H TYR 11 H TYR 11 -30.942 -3.244 3.735
85 HA TYR 11 HA TYR 11 -30.745 -0.530 4.196
86 1HB TYR 11 2HB TYR 11 -29.164 -1.345 2.701
87 2HB TYR 11 1HB TYR 11 -30.360 -2.234 1.765
88 HD1 TYR 11 HD2 TYR 11 -28.863 1.072 2.359
89 HD2 TYR 11 HD1 TYR 11 -31.572 -1.178 -0.028
90 HE1 TYR 11 HE2 TYR 11 -28.943 2.911 0.728
91 HE2 TYR 11 HE1 TYR 11 -31.658 0.654 -1.665
92 HH TYR 11 HH TYR 11 -29.472 3.157 -1.758
93 HA PRO 12 HA PRO 12 -34.745 1.280 3.367
94 1HB PRO 12 2HB PRO 12 -33.059 3.193 1.791
95 2HB PRO 12 1HB PRO 12 -34.385 3.527 2.911
96 1HG PRO 12 2HG PRO 12 -31.829 3.801 3.658
97 2HG PRO 12 1HG PRO 12 -33.071 3.213 4.778
98 1HD PRO 12 2HD PRO 12 -30.855 1.743 3.493
99 2HD PRO 12 1HD PRO 12 -31.761 1.357 4.968
100 H VAL 13 H VAL 13 -35.304 -0.544 2.010
101 HA VAL 13 HA VAL 13 -34.628 -0.850 -0.674
102 HB VAL 13 HB VAL 13 -35.871 -2.490 0.801
103 1HG1 VAL 13 2HG1 VAL 13 -37.621 -0.629 1.319
104 2HG1 VAL 13 1HG1 VAL 13 -38.395 -1.216 -0.153
105 3HG1 VAL 13 3HG1 VAL 13 -38.131 -2.313 1.203
106 1HG2 VAL 13 2HG2 VAL 13 -35.621 -2.510 -1.811
107 2HG2 VAL 13 1HG2 VAL 13 -36.697 -3.653 -1.008
108 3HG2 VAL 13 3HG2 VAL 13 -37.359 -2.211 -1.771
109 H SER 14 H SER 14 -36.038 1.785 0.606
110 HA SER 14 HA SER 14 -38.198 2.354 -1.094
111 1HB SER 14 2HB SER 14 -37.760 4.745 -0.448
112 2HB SER 14 1HB SER 14 -37.910 3.637 0.915
113 HG SER 14 HG SER 14 -35.346 3.820 0.045
114 H LYS 15 H LYS 15 -35.592 4.645 -1.281
115 HA LYS 15 HA LYS 15 -35.852 4.905 -4.084
116 1HB LYS 15 2HB LYS 15 -35.006 6.621 -2.334
117 2HB LYS 15 1HB LYS 15 -33.439 5.861 -2.575
118 1HG LYS 15 2HG LYS 15 -33.484 6.410 -4.923
119 2HG LYS 15 1HG LYS 15 -35.114 7.067 -4.768
120 1HD LYS 15 2HD LYS 15 -33.299 8.306 -2.862
121 2HD LYS 15 1HD LYS 15 -32.699 8.471 -4.511
122 1HE LYS 15 2HE LYS 15 -34.225 10.313 -3.648
123 2HE LYS 15 1HE LYS 15 -34.624 9.614 -5.216
124 1HZ LYS 15 3HZ LYS 15 -35.886 8.270 -3.012
125 2HZ LYS 15 2HZ LYS 15 -36.341 9.893 -3.145
126 3HZ LYS 15 1HZ LYS 15 -36.557 8.845 -4.454
127 H CYS 16 H CYS 16 -35.192 3.507 -5.539
128 HA CYS 16 HA CYS 16 -32.514 2.722 -5.842
129 1HB CYS 16 2HB CYS 16 -34.018 1.074 -4.049
130 2HB CYS 16 1HB CYS 16 -33.682 0.134 -5.499
131 H GLN 17 H GLN 17 -32.507 2.964 -7.991
132 HA GLN 17 HA GLN 17 -34.338 1.331 -9.588
133 1HB GLN 17 2HB GLN 17 -34.086 4.318 -9.703
134 2HB GLN 17 1HB GLN 17 -34.536 3.408 -11.139
135 1HG GLN 17 2HG GLN 17 -36.045 2.854 -8.654
136 2HG GLN 17 1HG GLN 17 -36.330 4.401 -9.450
137 1HE2 GLN 17 2HE2 GLN 17 -37.661 2.888 -12.417
138 2HE2 GLN 17 1HE2 GLN 17 -36.586 4.144 -11.914
139 H LEU 18 H LEU 18 -31.337 2.989 -9.206
140 HA LEU 18 HA LEU 18 -30.039 1.379 -11.158
141 1HB LEU 18 2HB LEU 18 -30.892 4.133 -11.843
142 2HB LEU 18 1HB LEU 18 -29.247 3.724 -12.279
143 HG LEU 18 HG LEU 18 -31.088 1.640 -13.113
144 1HD1 LEU 18 3HD1 LEU 18 -31.636 4.435 -14.068
145 2HD1 LEU 18 2HD1 LEU 18 -32.111 2.991 -14.963
146 3HD1 LEU 18 1HD1 LEU 18 -32.770 3.287 -13.355
147 1HD2 LEU 18 1HD2 LEU 18 -28.724 2.100 -13.886
148 2HD2 LEU 18 3HD2 LEU 18 -29.909 1.768 -15.148
149 3HD2 LEU 18 2HD2 LEU 18 -29.397 3.426 -14.834
150 H ALA 19 H ALA 19 -27.732 2.466 -11.581
151 HA ALA 19 HA ALA 19 -26.344 2.356 -9.173
152 1HB ALA 19 1HB ALA 19 -25.412 1.984 -11.473
153 2HB ALA 19 3HB ALA 19 -25.367 3.737 -11.658
154 3HB ALA 19 2HB ALA 19 -24.403 2.959 -10.403
155 H ASN 20 H ASN 20 -26.485 3.739 -7.539
156 HA ASN 20 HA ASN 20 -25.666 6.414 -7.757
157 1HB ASN 20 2HB ASN 20 -27.866 6.735 -8.802
158 2HB ASN 20 1HB ASN 20 -28.645 6.053 -7.378
159 1HD2 ASN 20 2HD2 ASN 20 -26.705 9.266 -6.054
160 2HD2 ASN 20 1HD2 ASN 20 -25.946 7.772 -6.476
161 H GLN 21 H GLN 21 -28.320 6.112 -5.643
162 HA GLN 21 HA GLN 21 -26.923 6.536 -3.317
163 1HB GLN 21 2HB GLN 21 -29.491 4.962 -3.576
164 2HB GLN 21 1HB GLN 21 -28.900 5.747 -2.117
165 1HG GLN 21 2HG GLN 21 -30.145 6.926 -4.540
166 2HG GLN 21 1HG GLN 21 -30.411 7.294 -2.837
167 1HE2 GLN 21 2HE2 GLN 21 -27.498 9.414 -2.638
168 2HE2 GLN 21 1HE2 GLN 21 -28.265 8.130 -1.774
169 H CYS 22 H CYS 22 -28.154 3.392 -4.460
170 HA CYS 22 HA CYS 22 -27.053 1.813 -2.460
171 1HB CYS 22 2HB CYS 22 -28.703 1.177 -4.332
172 2HB CYS 22 1HB CYS 22 -27.272 0.876 -5.311
173 H ASN 23 H ASN 23 -25.696 2.374 -5.720
174 HA ASN 23 HA ASN 23 -23.314 1.018 -5.406
175 1HB ASN 23 2HB ASN 23 -24.191 2.090 -7.515
176 2HB ASN 23 1HB ASN 23 -23.599 3.631 -6.902
177 1HD2 ASN 23 2HD2 ASN 23 -20.693 0.831 -7.517
178 2HD2 ASN 23 1HD2 ASN 23 -22.121 0.447 -6.624
179 H TYR 24 H TYR 24 -23.639 4.561 -5.090
180 HA TYR 24 HA TYR 24 -21.165 5.056 -3.966
181 1HB TYR 24 2HB TYR 24 -22.028 7.112 -4.292
182 2HB TYR 24 1HB TYR 24 -23.669 6.486 -4.283
183 HD1 TYR 24 HD1 TYR 24 -21.012 6.836 -1.683
184 HD2 TYR 24 HD2 TYR 24 -25.014 7.678 -2.851
185 HE1 TYR 24 HE1 TYR 24 -21.403 7.917 0.481
186 HE2 TYR 24 HE2 TYR 24 -25.420 8.766 -0.682
187 HH TYR 24 HH TYR 24 -24.526 8.766 1.579
188 H ASP 25 H ASP 25 -24.219 4.306 -2.300
189 HA ASP 25 HA ASP 25 -23.365 4.549 0.315
190 1HB ASP 25 2HB ASP 25 -25.413 2.770 -0.978
191 2HB ASP 25 1HB ASP 25 -25.072 2.633 0.744
192 H CYS 26 H CYS 26 -23.538 1.414 -1.424
193 HA CYS 26 HA CYS 26 -22.120 -0.056 0.444
194 1HB CYS 26 2HB CYS 26 -22.164 -0.327 -2.571
195 2HB CYS 26 1HB CYS 26 -21.436 -1.518 -1.501
196 H LYS 27 H LYS 27 -20.895 1.689 -2.379
197 HA LYS 27 HA LYS 27 -18.177 1.171 -1.977
198 1HB LYS 27 2HB LYS 27 -19.524 2.215 -3.992
199 2HB LYS 27 1HB LYS 27 -19.047 3.729 -3.238
200 1HG LYS 27 2HG LYS 27 -16.771 3.317 -3.581
201 2HG LYS 27 1HG LYS 27 -17.037 1.600 -3.882
202 1HD LYS 27 2HD LYS 27 -17.876 1.975 -6.019
203 2HD LYS 27 1HD LYS 27 -18.248 3.667 -5.679
204 1HE LYS 27 2HE LYS 27 -15.412 2.760 -5.568
205 2HE LYS 27 1HE LYS 27 -16.166 3.001 -7.143
206 1HZ LYS 27 3HZ LYS 27 -16.480 5.125 -5.163
207 2HZ LYS 27 2HZ LYS 27 -14.951 4.942 -5.863
208 3HZ LYS 27 1HZ LYS 27 -16.300 5.230 -6.842
209 H LEU 28 H LEU 28 -19.844 2.456 0.380
210 HA LEU 28 HA LEU 28 -17.595 3.909 1.419
211 1HB LEU 28 2HB LEU 28 -18.587 5.625 -0.006
212 2HB LEU 28 1HB LEU 28 -20.125 5.433 0.811
213 HG LEU 28 HG LEU 28 -18.780 7.446 1.495
214 1HD1 LEU 28 3HD1 LEU 28 -20.456 5.922 2.981
215 2HD1 LEU 28 2HD1 LEU 28 -19.012 5.902 3.991
216 3HD1 LEU 28 1HD1 LEU 28 -19.739 7.436 3.527
217 1HD2 LEU 28 2HD2 LEU 28 -16.609 6.094 1.432
218 2HD2 LEU 28 1HD2 LEU 28 -16.819 7.251 2.747
219 3HD2 LEU 28 3HD2 LEU 28 -17.066 5.528 3.038
220 H ASP 29 H ASP 29 -21.039 3.168 1.793
221 HA ASP 29 HA ASP 29 -21.137 3.634 4.585
222 1HB ASP 29 2HB ASP 29 -22.883 1.961 2.772
223 2HB ASP 29 1HB ASP 29 -23.239 2.256 4.472
224 H LYS 30 H LYS 30 -20.748 0.669 2.670
225 HA LYS 30 HA LYS 30 -20.061 -0.799 5.120
226 1HB LYS 30 2HB LYS 30 -20.759 -1.751 2.339
227 2HB LYS 30 1HB LYS 30 -20.262 -2.816 3.647
228 1HG LYS 30 2HG LYS 30 -22.321 -1.321 4.759
229 2HG LYS 30 1HG LYS 30 -22.863 -1.624 3.108
230 1HD LYS 30 2HD LYS 30 -23.680 -3.460 4.265
231 2HD LYS 30 1HD LYS 30 -22.169 -4.076 3.592
232 1HE LYS 30 2HE LYS 30 -22.624 -3.076 6.402
233 2HE LYS 30 1HE LYS 30 -22.383 -4.751 5.908
234 1HZ LYS 30 3HZ LYS 30 -20.371 -2.598 5.544
235 2HZ LYS 30 2HZ LYS 30 -20.375 -3.690 6.837
236 3HZ LYS 30 1HZ LYS 30 -20.152 -4.253 5.258
237 H HIS 31 H HIS 31 -18.471 1.047 3.060
238 HA HIS 31 HA HIS 31 -16.319 1.227 2.348
239 1HB HIS 31 2HB HIS 31 -15.324 -0.987 4.052
240 2HB HIS 31 1HB HIS 31 -14.751 0.672 3.909
241 HD1 HIS 31 HD1 HIS 31 -15.668 -1.221 6.507
242 HD2 HIS 31 HD2 HIS 31 -17.395 2.242 4.994
243 HE1 HIS 31 HE1 HIS 31 -16.959 -0.222 8.420
244 HE2 HIS 31 HE2 HIS 31 -18.073 1.820 7.453
245 H ALA 32 H ALA 32 -18.040 -0.500 0.886
246 HA ALA 32 HA ALA 32 -16.474 -2.840 0.186
247 1HB ALA 32 3HB ALA 32 -19.077 -2.590 0.270
248 2HB ALA 32 2HB ALA 32 -18.867 -1.977 -1.370
249 3HB ALA 32 1HB ALA 32 -18.315 -3.602 -0.958
250 H ARG 33 H ARG 33 -16.668 -3.171 -2.426
251 HA ARG 33 HA ARG 33 -14.917 -1.101 -3.496
252 1HB ARG 33 2HB ARG 33 -14.503 -3.667 -3.569
253 2HB ARG 33 1HB ARG 33 -15.655 -3.652 -4.897
254 1HG ARG 33 2HG ARG 33 -13.763 -3.398 -6.111
255 2HG ARG 33 1HG ARG 33 -14.048 -1.698 -5.733
256 1HD ARG 33 2HD ARG 33 -12.547 -1.927 -3.777
257 2HD ARG 33 1HD ARG 33 -12.212 -3.587 -4.266
258 HE ARG 33 HE ARG 33 -11.031 -2.768 -6.143
259 1HH1 ARG 33 1HH2 ARG 33 -12.170 -0.234 -4.031
260 2HH1 ARG 33 2HH2 ARG 33 -11.071 0.950 -4.654
261 1HH2 ARG 33 2HH1 ARG 33 -9.585 -1.213 -6.965
262 2HH2 ARG 33 1HH1 ARG 33 -9.608 0.396 -6.324
263 H SER 34 H SER 34 -18.103 -2.390 -3.831
264 HA SER 34 HA SER 34 -19.065 -0.220 -5.323
265 1HB SER 34 2HB SER 34 -19.507 -1.248 -7.485
266 2HB SER 34 1HB SER 34 -17.776 -1.308 -7.159
267 HG SER 34 HG SER 34 -18.776 -3.297 -7.963
268 H GLY 35 H GLY 35 -21.205 -1.435 -6.666
269 1HA GLY 35 2HA GLY 35 -22.594 -3.468 -5.549
270 2HA GLY 35 1HA GLY 35 -22.825 -2.169 -4.390
271 H GLU 36 H GLU 36 -25.056 -3.061 -5.372
272 HA GLU 36 HA GLU 36 -26.251 -0.864 -6.643
273 1HB GLU 36 2HB GLU 36 -24.904 -2.122 -8.535
274 2HB GLU 36 1HB GLU 36 -26.284 -3.210 -8.501
275 1HG GLU 36 2HG GLU 36 -27.783 -1.400 -9.021
276 2HG GLU 36 1HG GLU 36 -26.461 -0.237 -8.923
277 H CYS 37 H CYS 37 -28.568 -1.313 -7.201
278 HA CYS 37 HA CYS 37 -29.653 -3.143 -5.233
279 1HB CYS 37 2HB CYS 37 -30.511 -0.706 -6.480
280 2HB CYS 37 1HB CYS 37 -31.749 -1.930 -6.730
281 H PHE 38 H PHE 38 -30.736 -5.001 -5.631
282 HA PHE 38 HA PHE 38 -31.438 -5.718 -8.367
283 1HB PHE 38 2HB PHE 38 -29.354 -7.104 -6.714
284 2HB PHE 38 1HB PHE 38 -30.318 -8.026 -7.863
285 HD1 PHE 38 HD2 PHE 38 -30.481 -6.862 -10.263
286 HD2 PHE 38 HD1 PHE 38 -27.343 -6.291 -7.446
287 HE1 PHE 38 HE2 PHE 38 -28.978 -6.173 -12.084
288 HE2 PHE 38 HE1 PHE 38 -25.834 -5.598 -9.263
289 HZ PHE 38 HZ PHE 38 -26.651 -5.540 -11.585
290 H TYR 39 H TYR 39 -32.726 -7.729 -8.459
291 HA TYR 39 HA TYR 39 -34.569 -7.790 -6.230
292 1HB TYR 39 2HB TYR 39 -34.591 -8.942 -9.003
293 2HB TYR 39 1HB TYR 39 -35.757 -9.479 -7.800
294 HD1 TYR 39 HD2 TYR 39 -34.433 -6.320 -9.293
295 HD2 TYR 39 HD1 TYR 39 -37.774 -8.373 -7.645
296 HE1 TYR 39 HE2 TYR 39 -35.872 -4.400 -9.837
297 HE2 TYR 39 HE1 TYR 39 -39.224 -6.460 -8.189
298 HH TYR 39 HH TYR 39 -38.776 -3.853 -8.534
299 H ASP 40 H ASP 40 -35.530 -10.092 -5.794
300 HA ASP 40 HA ASP 40 -33.272 -11.863 -5.119
301 1HB ASP 40 2HB ASP 40 -34.579 -12.652 -3.246
302 2HB ASP 40 1HB ASP 40 -34.549 -10.892 -3.200
303 H GLU 41 H GLU 41 -34.077 -14.224 -4.828
304 HA GLU 41 HA GLU 41 -34.899 -15.132 -7.363
305 1HB GLU 41 2HB GLU 41 -34.606 -16.537 -4.714
306 2HB GLU 41 1HB GLU 41 -35.051 -17.380 -6.192
307 1HG GLU 41 2HG GLU 41 -32.753 -17.693 -6.013
308 2HG GLU 41 1HG GLU 41 -32.925 -16.395 -7.194
309 H LYS 42 H LYS 42 -36.852 -13.364 -6.021
310 HA LYS 42 HA LYS 42 -39.190 -15.043 -6.477
311 1HB LYS 42 2HB LYS 42 -38.370 -14.080 -3.870
312 2HB LYS 42 1HB LYS 42 -39.948 -13.433 -4.296
313 1HG LYS 42 2HG LYS 42 -40.930 -15.520 -4.376
314 2HG LYS 42 1HG LYS 42 -39.395 -16.350 -4.629
315 1HD LYS 42 2HD LYS 42 -40.139 -14.930 -2.078
316 2HD LYS 42 1HD LYS 42 -40.400 -16.652 -2.355
317 1HE LYS 42 2HE LYS 42 -37.869 -15.152 -1.924
318 2HE LYS 42 1HE LYS 42 -38.372 -16.721 -1.300
319 1HZ LYS 42 2HZ LYS 42 -37.607 -16.210 -4.122
320 2HZ LYS 42 1HZ LYS 42 -36.569 -16.854 -2.952
321 3HZ LYS 42 3HZ LYS 42 -37.950 -17.712 -3.425
322 H ARG 43 H ARG 43 -38.725 -11.784 -5.145
323 HA ARG 43 HA ARG 43 -39.026 -10.235 -7.366
324 1HB ARG 43 2HB ARG 43 -41.124 -11.145 -7.959
325 2HB ARG 43 1HB ARG 43 -41.694 -11.132 -6.296
326 1HG ARG 43 2HG ARG 43 -42.493 -9.042 -6.487
327 2HG ARG 43 1HG ARG 43 -41.013 -8.462 -7.249
328 1HD ARG 43 2HD ARG 43 -43.256 -9.924 -8.633
329 2HD ARG 43 1HD ARG 43 -42.934 -8.195 -8.721
330 HE ARG 43 HE ARG 43 -41.071 -10.245 -9.732
331 1HH1 ARG 43 1HH2 ARG 43 -42.662 -7.146 -10.031
332 2HH1 ARG 43 2HH2 ARG 43 -41.850 -6.738 -11.503
333 1HH2 ARG 43 2HH1 ARG 43 -40.005 -9.699 -11.660
334 2HH2 ARG 43 1HH1 ARG 43 -40.344 -8.185 -12.430
335 H ASN 44 H ASN 44 -37.556 -9.441 -5.588
336 HA ASN 44 HA ASN 44 -38.970 -7.375 -4.070
337 1HB ASN 44 2HB ASN 44 -36.910 -9.228 -2.847
338 2HB ASN 44 1HB ASN 44 -37.620 -7.824 -2.055
339 1HD2 ASN 44 2HD2 ASN 44 -39.417 -11.343 -1.822
340 2HD2 ASN 44 1HD2 ASN 44 -37.795 -11.091 -2.362
341 H LEU 45 H LEU 45 -36.544 -6.588 -2.667
342 HA LEU 45 HA LEU 45 -34.639 -5.968 -4.770
343 1HB LEU 45 2HB LEU 45 -36.522 -4.003 -3.585
344 2HB LEU 45 1HB LEU 45 -34.864 -3.469 -3.751
345 HG LEU 45 HG LEU 45 -35.312 -4.453 -6.257
346 1HD1 LEU 45 1HD1 LEU 45 -37.939 -3.333 -5.295
347 2HD1 LEU 45 3HD1 LEU 45 -37.513 -3.620 -6.982
348 3HD1 LEU 45 2HD1 LEU 45 -37.637 -4.974 -5.860
349 1HD2 LEU 45 2HD2 LEU 45 -35.686 -1.716 -5.093
350 2HD2 LEU 45 1HD2 LEU 45 -34.340 -2.346 -6.042
351 3HD2 LEU 45 3HD2 LEU 45 -35.887 -2.010 -6.819
352 H GLN 46 H GLN 46 -32.603 -5.712 -4.030
353 HA GLN 46 HA GLN 46 -32.127 -5.204 -1.201
354 1HB GLN 46 2HB GLN 46 -31.522 -7.774 -2.609
355 2HB GLN 46 1HB GLN 46 -30.415 -7.208 -1.365
356 1HG GLN 46 2HG GLN 46 -31.969 -7.456 0.320
357 2HG GLN 46 1HG GLN 46 -33.337 -7.380 -0.788
358 1HE2 GLN 46 2HE2 GLN 46 -33.294 -10.792 -1.598
359 2HE2 GLN 46 1HE2 GLN 46 -33.804 -9.215 -2.084
360 H CYS 47 H CYS 47 -30.210 -4.183 -0.806
361 HA CYS 47 HA CYS 47 -28.772 -3.185 -3.108
362 1HB CYS 47 2HB CYS 47 -29.161 -2.380 -0.345
363 2HB CYS 47 1HB CYS 47 -27.462 -2.290 -0.790
364 H ILE 48 H ILE 48 -27.473 -4.712 -3.992
365 HA ILE 48 HA ILE 48 -25.901 -6.487 -2.342
366 HB ILE 48 HB ILE 48 -25.929 -6.114 -5.339
367 1HG1 ILE 48 2HG1 ILE 48 -27.966 -7.088 -3.946
368 2HG1 ILE 48 1HG1 ILE 48 -27.481 -7.808 -5.478
369 1HG2 ILE 48 1HG2 ILE 48 -24.474 -8.050 -3.569
370 2HG2 ILE 48 3HG2 ILE 48 -24.825 -8.411 -5.259
371 3HG2 ILE 48 2HG2 ILE 48 -23.826 -7.019 -4.844
372 1HD1 ILE 48 1HD1 ILE 48 -26.379 -8.825 -2.893
373 2HD1 ILE 48 3HD1 ILE 48 -27.957 -9.346 -3.482
374 3HD1 ILE 48 2HD1 ILE 48 -26.513 -9.645 -4.449
375 H CYS 49 H CYS 49 -24.100 -5.797 -1.400
376 HA CYS 49 HA CYS 49 -22.497 -3.699 -2.666
377 1HB CYS 49 2HB CYS 49 -22.244 -4.943 0.082
378 2HB CYS 49 1HB CYS 49 -21.315 -3.574 -0.514
379 H ASP 50 H ASP 50 -20.865 -4.284 -3.930
380 HA ASP 50 HA ASP 50 -19.713 -6.962 -3.663
381 1HB ASP 50 2HB ASP 50 -18.844 -5.102 -5.826
382 2HB ASP 50 1HB ASP 50 -19.129 -6.840 -5.880
383 H TYR 51 H TYR 51 -17.572 -7.358 -3.304
384 HA TYR 51 HA TYR 51 -15.998 -5.066 -2.317
385 1HB TYR 51 2HB TYR 51 -16.139 -7.936 -1.425
386 2HB TYR 51 1HB TYR 51 -14.837 -6.858 -0.927
387 HD1 TYR 51 HD1 TYR 51 -18.574 -6.753 -1.142
388 HD2 TYR 51 HD2 TYR 51 -15.098 -5.906 1.162
389 HE1 TYR 51 HE1 TYR 51 -19.995 -5.912 0.675
390 HE2 TYR 51 HE2 TYR 51 -16.512 -5.062 2.989
391 HH TYR 51 HH TYR 51 -20.037 -5.249 2.828
392 H CYS 52 H CYS 52 -16.008 -7.846 -4.423
393 HA CYS 52 HA CYS 52 -13.150 -7.541 -4.983
394 1HB CYS 52 2HB CYS 52 -15.198 -9.596 -5.802
395 2HB CYS 52 1HB CYS 52 -13.598 -9.527 -6.530
396 H GLU 53 H GLU 53 -14.860 -8.732 -7.620
397 HA GLU 53 HA GLU 53 -15.048 -7.976 -9.764
398 1HB GLU 53 2HB GLU 53 -17.046 -6.968 -8.854
399 2HB GLU 53 1HB GLU 53 -16.129 -5.598 -8.242
400 1HG GLU 53 2HG GLU 53 -15.855 -6.037 -11.127
401 2HG GLU 53 1HG GLU 53 -17.493 -5.645 -10.606
402 H TYR 54 HN TYR 54 -13.183 -7.688 -10.821
403 HA TYR 54 HA TYR 54 -11.547 -5.324 -10.203
404 1HB TYR 54 2HB TYR 54 -10.931 -8.073 -10.864
405 2HB TYR 54 1HB TYR 54 -10.137 -6.987 -11.998
406 HD1 TYR 54 HD2 TYR 54 -10.771 -7.131 -8.312
407 HD2 TYR 54 HD1 TYR 54 -7.994 -6.384 -11.447
408 HE1 TYR 54 HE2 TYR 54 -9.017 -6.683 -6.647
409 HE2 TYR 54 HE1 TYR 54 -6.234 -5.931 -9.791
410 HH TYR 54 HH TYR 54 -6.332 -6.835 -6.715
No H/Q in entry = 410
Start of MODEL 15
1 HN PCA 1 HN PCA 1 -15.642 -19.112 1.618
2 HA PCA 1 HA PCA 1 -16.853 -16.876 1.435
3 1HB PCA 1 1HB PCA 1 -16.179 -15.293 2.903
4 2HB PCA 1 2HB PCA 1 -14.578 -15.227 2.127
5 1HG PCA 1 1HG PCA 1 -15.321 -16.517 4.614
6 2HG PCA 1 2HG PCA 1 -13.718 -16.433 3.864
7 H ASP 2 H ASP 2 -16.743 -15.802 -0.504
8 HA ASP 2 HA ASP 2 -14.310 -15.428 -1.946
9 1HB ASP 2 2HB ASP 2 -14.972 -17.945 -2.201
10 2HB ASP 2 1HB ASP 2 -16.188 -17.326 -3.315
11 H LYS 3 H LYS 3 -17.829 -15.629 -2.041
12 HA LYS 3 HA LYS 3 -18.562 -14.354 -4.284
13 1HB LYS 3 2HB LYS 3 -19.884 -14.973 -2.056
14 2HB LYS 3 1HB LYS 3 -19.744 -13.245 -1.774
15 1HG LYS 3 2HG LYS 3 -21.039 -12.710 -3.632
16 2HG LYS 3 1HG LYS 3 -20.820 -14.299 -4.365
17 1HD LYS 3 2HD LYS 3 -22.335 -13.814 -1.803
18 2HD LYS 3 1HD LYS 3 -23.089 -13.912 -3.394
19 1HE LYS 3 2HE LYS 3 -21.750 -16.191 -3.490
20 2HE LYS 3 1HE LYS 3 -21.854 -16.052 -1.735
21 1HZ LYS 3 3HZ LYS 3 -24.194 -15.911 -3.555
22 2HZ LYS 3 2HZ LYS 3 -23.702 -17.313 -2.748
23 3HZ LYS 3 1HZ LYS 3 -24.221 -15.968 -1.864
24 H CYS 4 H CYS 4 -18.361 -12.448 -5.246
25 HA CYS 4 HA CYS 4 -16.649 -10.453 -3.976
26 1HB CYS 4 2HB CYS 4 -17.454 -11.082 -6.788
27 2HB CYS 4 1HB CYS 4 -16.833 -9.478 -6.403
28 H LYS 5 H LYS 5 -19.806 -11.007 -3.911
29 HA LYS 5 HA LYS 5 -20.444 -8.180 -3.622
30 1HB LYS 5 2HB LYS 5 -22.670 -8.647 -4.837
31 2HB LYS 5 1HB LYS 5 -21.232 -8.369 -5.806
32 1HG LYS 5 2HG LYS 5 -22.051 -10.185 -6.892
33 2HG LYS 5 1HG LYS 5 -21.085 -11.018 -5.675
34 1HD LYS 5 2HD LYS 5 -23.077 -11.282 -4.276
35 2HD LYS 5 1HD LYS 5 -24.040 -10.437 -5.488
36 1HE LYS 5 2HE LYS 5 -23.110 -12.276 -7.091
37 2HE LYS 5 1HE LYS 5 -22.824 -13.162 -5.594
38 1HZ LYS 5 1HZ LYS 5 -25.456 -11.967 -5.903
39 2HZ LYS 5 3HZ LYS 5 -25.108 -13.269 -6.926
40 3HZ LYS 5 2HZ LYS 5 -25.017 -13.462 -5.248
41 H LYS 6 H LYS 6 -22.314 -7.774 -2.314
42 HA LYS 6 HA LYS 6 -23.556 -10.065 -1.014
43 1HB LYS 6 2HB LYS 6 -22.893 -9.543 1.191
44 2HB LYS 6 1HB LYS 6 -21.417 -9.497 0.235
45 1HG LYS 6 2HG LYS 6 -21.928 -6.959 0.049
46 2HG LYS 6 1HG LYS 6 -22.951 -7.249 1.457
47 1HD LYS 6 2HD LYS 6 -20.020 -7.937 1.261
48 2HD LYS 6 1HD LYS 6 -20.677 -6.510 2.065
49 1HE LYS 6 2HE LYS 6 -20.609 -7.821 3.904
50 2HE LYS 6 1HE LYS 6 -22.115 -8.479 3.263
51 1HZ LYS 6 1HZ LYS 6 -19.547 -9.642 2.423
52 2HZ LYS 6 3HZ LYS 6 -20.199 -10.061 3.928
53 3HZ LYS 6 2HZ LYS 6 -21.072 -10.366 2.511
54 H VAL 7 H VAL 7 -25.626 -9.698 -0.608
55 HA VAL 7 HA VAL 7 -26.889 -7.283 -1.307
56 HB VAL 7 HB VAL 7 -28.932 -8.248 -0.586
57 1HG1 VAL 7 3HG1 VAL 7 -26.997 -9.929 -2.024
58 2HG1 VAL 7 2HG1 VAL 7 -28.369 -10.809 -1.353
59 3HG1 VAL 7 1HG1 VAL 7 -28.641 -9.462 -2.456
60 1HG2 VAL 7 1HG2 VAL 7 -27.189 -9.962 1.145
61 2HG2 VAL 7 3HG2 VAL 7 -28.568 -8.958 1.596
62 3HG2 VAL 7 2HG2 VAL 7 -28.825 -10.467 0.720
63 H TYR 8 H TYR 8 -27.871 -5.696 -0.083
64 HA TYR 8 HA TYR 8 -26.719 -5.315 2.574
65 1HB TYR 8 2HB TYR 8 -26.970 -3.517 0.664
66 2HB TYR 8 1HB TYR 8 -28.606 -3.372 1.292
67 HD1 TYR 8 HD1 TYR 8 -28.701 -3.144 3.958
68 HD2 TYR 8 HD2 TYR 8 -25.384 -2.087 1.515
69 HE1 TYR 8 HE1 TYR 8 -27.893 -1.632 5.721
70 HE2 TYR 8 HE2 TYR 8 -24.565 -0.574 3.269
71 HH TYR 8 HH TYR 8 -25.567 0.705 5.213
72 H GLU 9 H GLU 9 -27.964 -7.113 3.438
73 HA GLU 9 HA GLU 9 -30.754 -7.223 3.469
74 1HB GLU 9 2HB GLU 9 -30.318 -8.569 5.650
75 2HB GLU 9 1HB GLU 9 -29.737 -9.198 4.115
76 1HG GLU 9 2HG GLU 9 -27.533 -8.753 4.608
77 2HG GLU 9 1HG GLU 9 -27.939 -7.507 5.786
78 H ASN 10 H ASN 10 -31.408 -5.046 3.848
79 HA ASN 10 HA ASN 10 -32.603 -4.398 6.112
80 1HB ASN 10 2HB ASN 10 -30.867 -4.494 7.629
81 2HB ASN 10 1HB ASN 10 -29.678 -3.899 6.475
82 1HD2 ASN 10 2HD2 ASN 10 -32.102 -1.200 8.384
83 2HD2 ASN 10 1HD2 ASN 10 -32.693 -2.770 7.977
84 H TYR 11 H TYR 11 -31.277 -3.514 3.227
85 HA TYR 11 HA TYR 11 -31.232 -0.758 3.199
86 1HB TYR 11 2HB TYR 11 -30.728 -2.555 1.338
87 2HB TYR 11 1HB TYR 11 -32.369 -2.166 0.835
88 HD1 TYR 11 HD2 TYR 11 -29.054 -0.652 1.538
89 HD2 TYR 11 HD1 TYR 11 -32.811 -0.226 -0.410
90 HE1 TYR 11 HE2 TYR 11 -28.219 1.351 0.381
91 HE2 TYR 11 HE1 TYR 11 -31.988 1.777 -1.567
92 HH TYR 11 HH TYR 11 -28.646 2.729 -1.453
93 HA PRO 12 HA PRO 12 -35.544 0.296 4.026
94 1HB PRO 12 2HB PRO 12 -34.971 2.851 2.654
95 2HB PRO 12 1HB PRO 12 -35.553 2.560 4.295
96 1HG PRO 12 2HG PRO 12 -33.049 3.383 3.779
97 2HG PRO 12 1HG PRO 12 -33.440 2.320 5.142
98 1HD PRO 12 2HD PRO 12 -32.155 1.667 2.533
99 2HD PRO 12 1HD PRO 12 -31.877 0.991 4.151
100 H VAL 13 H VAL 13 -35.113 -1.282 1.763
101 HA VAL 13 HA VAL 13 -35.599 -1.231 -0.633
102 HB VAL 13 HB VAL 13 -38.138 -1.736 0.892
103 1HG1 VAL 13 1HG1 VAL 13 -37.129 -2.582 -1.804
104 2HG1 VAL 13 3HG1 VAL 13 -38.429 -3.436 -0.974
105 3HG1 VAL 13 2HG1 VAL 13 -38.624 -1.737 -1.404
106 1HG2 VAL 13 2HG2 VAL 13 -35.700 -3.443 0.490
107 2HG2 VAL 13 1HG2 VAL 13 -36.525 -3.041 1.997
108 3HG2 VAL 13 3HG2 VAL 13 -37.281 -4.139 0.842
109 H SER 14 H SER 14 -35.541 0.749 -1.594
110 HA SER 14 HA SER 14 -38.016 1.856 -2.426
111 1HB SER 14 2HB SER 14 -37.891 4.054 -1.423
112 2HB SER 14 1HB SER 14 -37.857 2.848 -0.136
113 HG SER 14 HG SER 14 -35.934 4.652 -0.914
114 H LYS 15 H LYS 15 -35.416 4.081 -1.913
115 HA LYS 15 HA LYS 15 -35.100 4.611 -4.669
116 1HB LYS 15 2HB LYS 15 -34.418 5.924 -2.392
117 2HB LYS 15 1HB LYS 15 -32.845 5.305 -2.869
118 1HG LYS 15 2HG LYS 15 -32.912 6.466 -4.930
119 2HG LYS 15 1HG LYS 15 -34.621 6.856 -4.732
120 1HD LYS 15 2HD LYS 15 -34.174 8.403 -3.012
121 2HD LYS 15 1HD LYS 15 -32.530 7.804 -2.792
122 1HE LYS 15 2HE LYS 15 -32.308 9.844 -3.946
123 2HE LYS 15 1HE LYS 15 -32.082 8.587 -5.161
124 1HZ LYS 15 1HZ LYS 15 -34.786 9.622 -4.769
125 2HZ LYS 15 3HZ LYS 15 -33.675 10.624 -5.558
126 3HZ LYS 15 2HZ LYS 15 -34.027 9.093 -6.184
127 H CYS 16 H CYS 16 -34.131 3.339 -6.141
128 HA CYS 16 HA CYS 16 -31.526 2.288 -5.755
129 1HB CYS 16 2HB CYS 16 -33.714 0.674 -4.820
130 2HB CYS 16 1HB CYS 16 -32.903 -0.162 -6.141
131 H GLN 17 H GLN 17 -34.253 2.892 -7.685
132 HA GLN 17 HA GLN 17 -33.407 1.354 -9.962
133 1HB GLN 17 2HB GLN 17 -35.338 3.618 -10.205
134 2HB GLN 17 1HB GLN 17 -35.360 2.038 -10.978
135 1HG GLN 17 2HG GLN 17 -35.930 2.527 -8.066
136 2HG GLN 17 1HG GLN 17 -37.159 2.354 -9.319
137 1HE2 GLN 17 2HE2 GLN 17 -35.601 -0.865 -7.557
138 2HE2 GLN 17 1HE2 GLN 17 -35.336 0.759 -7.027
139 H LEU 18 H LEU 18 -31.462 3.166 -8.881
140 HA LEU 18 HA LEU 18 -30.566 4.397 -11.282
141 1HB LEU 18 2HB LEU 18 -32.023 5.996 -9.303
142 2HB LEU 18 1HB LEU 18 -30.455 6.666 -9.711
143 HG LEU 18 HG LEU 18 -32.244 5.847 -11.936
144 1HD1 LEU 18 3HD1 LEU 18 -33.726 7.087 -10.429
145 2HD1 LEU 18 2HD1 LEU 18 -32.576 8.424 -10.413
146 3HD1 LEU 18 1HD1 LEU 18 -33.396 7.983 -11.911
147 1HD2 LEU 18 2HD2 LEU 18 -29.940 6.651 -12.321
148 2HD2 LEU 18 1HD2 LEU 18 -31.161 7.675 -13.076
149 3HD2 LEU 18 3HD2 LEU 18 -30.382 8.188 -11.580
150 H ALA 19 H ALA 19 -28.464 3.948 -11.227
151 HA ALA 19 HA ALA 19 -27.017 3.159 -8.975
152 1HB ALA 19 3HB ALA 19 -26.154 4.184 -11.666
153 2HB ALA 19 2HB ALA 19 -24.994 3.685 -10.433
154 3HB ALA 19 1HB ALA 19 -26.162 2.525 -11.068
155 H ASN 20 H ASN 20 -27.023 4.497 -7.238
156 HA ASN 20 HA ASN 20 -25.280 6.738 -7.261
157 1HB ASN 20 2HB ASN 20 -27.209 7.836 -8.288
158 2HB ASN 20 1HB ASN 20 -28.235 7.314 -6.956
159 1HD2 ASN 20 2HD2 ASN 20 -25.513 9.618 -5.226
160 2HD2 ASN 20 1HD2 ASN 20 -25.249 7.986 -5.730
161 H GLN 21 H GLN 21 -28.191 6.584 -5.295
162 HA GLN 21 HA GLN 21 -27.025 6.875 -2.854
163 1HB GLN 21 2HB GLN 21 -29.519 6.753 -3.486
164 2HB GLN 21 1HB GLN 21 -29.367 5.022 -3.217
165 1HG GLN 21 2HG GLN 21 -30.112 5.711 -1.172
166 2HG GLN 21 1HG GLN 21 -28.369 5.766 -0.921
167 1HE2 GLN 21 2HE2 GLN 21 -28.633 9.004 0.229
168 2HE2 GLN 21 1HE2 GLN 21 -28.041 7.393 0.429
169 H CYS 22 H CYS 22 -28.021 3.703 -4.152
170 HA CYS 22 HA CYS 22 -26.808 2.158 -2.177
171 1HB CYS 22 2HB CYS 22 -28.481 1.464 -4.004
172 2HB CYS 22 1HB CYS 22 -27.065 1.233 -5.027
173 H ASN 23 H ASN 23 -25.579 2.898 -5.438
174 HA ASN 23 HA ASN 23 -23.155 1.603 -5.280
175 1HB ASN 23 2HB ASN 23 -24.369 3.185 -7.135
176 2HB ASN 23 1HB ASN 23 -23.061 4.245 -6.613
177 1HD2 ASN 23 2HD2 ASN 23 -20.727 2.648 -8.571
178 2HD2 ASN 23 1HD2 ASN 23 -21.274 4.061 -7.741
179 H TYR 24 H TYR 24 -23.592 5.102 -4.687
180 HA TYR 24 HA TYR 24 -21.090 5.615 -3.633
181 1HB TYR 24 2HB TYR 24 -22.061 7.652 -3.730
182 2HB TYR 24 1HB TYR 24 -23.672 6.952 -3.682
183 HD1 TYR 24 HD1 TYR 24 -20.839 7.310 -1.273
184 HD2 TYR 24 HD2 TYR 24 -24.997 7.809 -2.012
185 HE1 TYR 24 HE1 TYR 24 -21.134 8.150 1.012
186 HE2 TYR 24 HE2 TYR 24 -25.306 8.657 0.275
187 HH TYR 24 HH TYR 24 -24.304 8.738 2.361
188 H ASP 25 H ASP 25 -24.034 4.622 -1.911
189 HA ASP 25 HA ASP 25 -23.099 4.673 0.676
190 1HB ASP 25 2HB ASP 25 -25.128 2.983 -0.732
191 2HB ASP 25 1HB ASP 25 -24.698 2.592 0.929
192 H CYS 26 H CYS 26 -23.142 1.722 -1.363
193 HA CYS 26 HA CYS 26 -21.600 0.166 0.350
194 1HB CYS 26 2HB CYS 26 -21.639 0.088 -2.679
195 2HB CYS 26 1HB CYS 26 -21.024 -1.188 -1.636
196 H LYS 27 H LYS 27 -20.645 2.421 -2.176
197 HA LYS 27 HA LYS 27 -17.890 1.954 -2.160
198 1HB LYS 27 2HB LYS 27 -19.326 3.351 -3.780
199 2HB LYS 27 1HB LYS 27 -19.097 4.664 -2.633
200 1HG LYS 27 2HG LYS 27 -17.219 5.153 -3.745
201 2HG LYS 27 1HG LYS 27 -16.529 3.698 -3.025
202 1HD LYS 27 2HD LYS 27 -17.091 2.394 -4.948
203 2HD LYS 27 1HD LYS 27 -18.046 3.710 -5.631
204 1HE LYS 27 2HE LYS 27 -15.818 3.453 -6.688
205 2HE LYS 27 1HE LYS 27 -16.076 5.042 -5.969
206 1HZ LYS 27 1HZ LYS 27 -14.962 3.641 -3.948
207 2HZ LYS 27 3HZ LYS 27 -14.153 3.014 -5.294
208 3HZ LYS 27 2HZ LYS 27 -14.122 4.676 -4.989
209 H LEU 28 H LEU 28 -19.523 2.697 0.524
210 HA LEU 28 HA LEU 28 -17.188 3.783 1.807
211 1HB LEU 28 2HB LEU 28 -18.569 5.715 0.704
212 2HB LEU 28 1HB LEU 28 -19.624 5.494 2.085
213 HG LEU 28 HG LEU 28 -18.216 7.220 2.749
214 1HD1 LEU 28 3HD1 LEU 28 -18.317 5.317 4.372
215 2HD1 LEU 28 2HD1 LEU 28 -16.735 4.812 3.779
216 3HD1 LEU 28 1HD1 LEU 28 -16.926 6.383 4.557
217 1HD2 LEU 28 3HD2 LEU 28 -16.123 5.733 1.237
218 2HD2 LEU 28 2HD2 LEU 28 -16.586 7.432 1.150
219 3HD2 LEU 28 1HD2 LEU 28 -15.640 6.846 2.517
220 H ASP 29 H ASP 29 -20.644 3.052 2.077
221 HA ASP 29 HA ASP 29 -20.687 2.888 4.903
222 1HB ASP 29 2HB ASP 29 -22.505 1.725 2.791
223 2HB ASP 29 1HB ASP 29 -22.817 1.577 4.517
224 H LYS 30 H LYS 30 -20.607 0.323 2.423
225 HA LYS 30 HA LYS 30 -19.726 -1.570 4.491
226 1HB LYS 30 2HB LYS 30 -20.732 -2.110 1.691
227 2HB LYS 30 1HB LYS 30 -20.339 -3.326 2.898
228 1HG LYS 30 2HG LYS 30 -22.385 -1.229 3.477
229 2HG LYS 30 1HG LYS 30 -22.807 -2.655 2.530
230 1HD LYS 30 2HD LYS 30 -21.339 -3.116 5.069
231 2HD LYS 30 1HD LYS 30 -23.006 -2.556 5.209
232 1HE LYS 30 2HE LYS 30 -22.574 -4.757 3.291
233 2HE LYS 30 1HE LYS 30 -22.288 -5.161 4.981
234 1HZ LYS 30 3HZ LYS 30 -24.770 -3.892 3.962
235 2HZ LYS 30 2HZ LYS 30 -24.591 -5.548 4.252
236 3HZ LYS 30 1HZ LYS 30 -24.489 -4.450 5.534
237 H HIS 31 H HIS 31 -17.990 0.454 3.307
238 HA HIS 31 HA HIS 31 -16.032 0.687 2.093
239 1HB HIS 31 2HB HIS 31 -15.276 -1.806 3.600
240 2HB HIS 31 1HB HIS 31 -14.264 -0.421 3.199
241 HD1 HIS 31 HD1 HIS 31 -15.334 -1.802 6.081
242 HD2 HIS 31 HD2 HIS 31 -15.997 1.979 4.492
243 HE1 HIS 31 HE1 HIS 31 -15.923 -0.344 8.043
244 HE2 HIS 31 HE2 HIS 31 -16.373 1.928 7.050
245 H ALA 32 H ALA 32 -17.876 -0.699 0.495
246 HA ALA 32 HA ALA 32 -16.451 -2.958 -0.655
247 1HB ALA 32 3HB ALA 32 -19.075 -2.542 -0.348
248 2HB ALA 32 2HB ALA 32 -18.878 -1.885 -1.974
249 3HB ALA 32 1HB ALA 32 -18.414 -3.552 -1.631
250 H ARG 33 H ARG 33 -16.779 -2.846 -3.275
251 HA ARG 33 HA ARG 33 -15.106 -0.579 -4.075
252 1HB ARG 33 2HB ARG 33 -14.347 -2.864 -4.626
253 2HB ARG 33 1HB ARG 33 -15.806 -3.111 -5.576
254 1HG ARG 33 2HG ARG 33 -15.102 -1.741 -7.273
255 2HG ARG 33 1HG ARG 33 -14.031 -0.810 -6.223
256 1HD ARG 33 2HD ARG 33 -13.585 -3.656 -7.121
257 2HD ARG 33 1HD ARG 33 -12.776 -2.234 -7.777
258 HE ARG 33 HE ARG 33 -12.470 -2.547 -4.932
259 1HH1 ARG 33 1HH2 ARG 33 -11.215 -3.397 -8.065
260 2HH1 ARG 33 2HH2 ARG 33 -9.613 -3.713 -7.485
261 1HH2 ARG 33 2HH1 ARG 33 -10.365 -2.957 -4.151
262 2HH2 ARG 33 1HH1 ARG 33 -9.129 -3.459 -5.256
263 H SER 34 H SER 34 -18.258 -1.925 -4.488
264 HA SER 34 HA SER 34 -19.337 0.423 -5.602
265 1HB SER 34 2HB SER 34 -19.415 0.066 -7.854
266 2HB SER 34 1HB SER 34 -18.004 -0.943 -7.540
267 HG SER 34 HG SER 34 -20.136 -1.746 -8.675
268 H GLY 35 H GLY 35 -21.477 -0.801 -7.078
269 1HA GLY 35 2HA GLY 35 -22.692 -2.990 -5.997
270 2HA GLY 35 1HA GLY 35 -23.044 -1.713 -4.846
271 H GLU 36 H GLU 36 -25.248 -2.491 -5.565
272 HA GLU 36 HA GLU 36 -26.480 -0.496 -7.092
273 1HB GLU 36 2HB GLU 36 -25.281 -2.205 -8.799
274 2HB GLU 36 1HB GLU 36 -26.805 -3.048 -8.590
275 1HG GLU 36 2HG GLU 36 -28.035 -1.312 -9.532
276 2HG GLU 36 1HG GLU 36 -26.742 -0.137 -9.296
277 H CYS 37 H CYS 37 -28.513 -2.480 -8.141
278 HA CYS 37 HA CYS 37 -29.579 -3.633 -5.699
279 1HB CYS 37 2HB CYS 37 -30.417 -1.075 -6.588
280 2HB CYS 37 1HB CYS 37 -31.744 -2.181 -6.924
281 H PHE 38 H PHE 38 -30.700 -5.453 -6.080
282 HA PHE 38 HA PHE 38 -31.897 -5.919 -8.687
283 1HB PHE 38 2HB PHE 38 -29.731 -7.720 -7.587
284 2HB PHE 38 1HB PHE 38 -30.710 -8.054 -9.013
285 HD1 PHE 38 HD2 PHE 38 -30.663 -6.174 -10.845
286 HD2 PHE 38 HD1 PHE 38 -27.677 -6.726 -7.866
287 HE1 PHE 38 HE2 PHE 38 -29.050 -4.947 -12.241
288 HE2 PHE 38 HE1 PHE 38 -26.059 -5.500 -9.254
289 HZ PHE 38 HZ PHE 38 -26.743 -4.609 -11.446
290 H TYR 39 H TYR 39 -32.666 -8.402 -8.638
291 HA TYR 39 HA TYR 39 -34.416 -8.539 -6.319
292 1HB TYR 39 2HB TYR 39 -34.379 -9.874 -9.009
293 2HB TYR 39 1HB TYR 39 -35.390 -10.500 -7.713
294 HD1 TYR 39 HD2 TYR 39 -34.699 -7.425 -9.685
295 HD2 TYR 39 HD1 TYR 39 -37.480 -9.560 -7.281
296 HE1 TYR 39 HE2 TYR 39 -36.434 -5.774 -10.239
297 HE2 TYR 39 HE1 TYR 39 -39.225 -7.915 -7.826
298 HH TYR 39 HH TYR 39 -39.413 -6.128 -10.130
299 H ASP 40 H ASP 40 -34.941 -11.240 -6.178
300 HA ASP 40 HA ASP 40 -32.693 -12.908 -6.004
301 1HB ASP 40 2HB ASP 40 -33.031 -12.773 -3.254
302 2HB ASP 40 1HB ASP 40 -31.693 -12.067 -4.156
303 H GLU 41 H GLU 41 -33.274 -14.639 -4.043
304 HA GLU 41 HA GLU 41 -35.514 -16.004 -5.018
305 1HB GLU 41 2HB GLU 41 -33.897 -16.296 -2.492
306 2HB GLU 41 1HB GLU 41 -35.260 -17.348 -2.843
307 1HG GLU 41 2HG GLU 41 -33.800 -18.670 -3.900
308 2HG GLU 41 1HG GLU 41 -33.767 -17.447 -5.169
309 H LYS 42 H LYS 42 -35.469 -13.238 -3.264
310 HA LYS 42 HA LYS 42 -37.910 -13.837 -1.744
311 1HB LYS 42 2HB LYS 42 -36.389 -11.244 -1.630
312 2HB LYS 42 1HB LYS 42 -37.459 -11.946 -0.424
313 1HG LYS 42 2HG LYS 42 -34.835 -13.190 -1.198
314 2HG LYS 42 1HG LYS 42 -34.992 -12.002 0.095
315 1HD LYS 42 2HD LYS 42 -35.910 -13.497 1.521
316 2HD LYS 42 1HD LYS 42 -36.918 -14.219 0.267
317 1HE LYS 42 2HE LYS 42 -35.388 -15.881 1.047
318 2HE LYS 42 1HE LYS 42 -34.904 -15.409 -0.581
319 1HZ LYS 42 1HZ LYS 42 -33.569 -13.744 1.211
320 2HZ LYS 42 3HZ LYS 42 -33.394 -15.325 1.787
321 3HZ LYS 42 2HZ LYS 42 -32.907 -14.939 0.214
322 H ARG 43 H ARG 43 -37.110 -12.791 -4.742
323 HA ARG 43 HA ARG 43 -38.203 -11.684 -6.398
324 1HB ARG 43 2HB ARG 43 -40.369 -12.486 -4.519
325 2HB ARG 43 1HB ARG 43 -40.788 -11.324 -5.768
326 1HG ARG 43 2HG ARG 43 -40.969 -12.951 -7.287
327 2HG ARG 43 1HG ARG 43 -39.330 -13.501 -6.956
328 1HD ARG 43 2HD ARG 43 -40.053 -14.999 -5.291
329 2HD ARG 43 1HD ARG 43 -41.647 -14.251 -5.197
330 HE ARG 43 HE ARG 43 -41.536 -15.135 -7.748
331 1HH1 ARG 43 1HH2 ARG 43 -40.953 -16.660 -4.669
332 2HH1 ARG 43 2HH2 ARG 43 -41.454 -18.229 -5.206
333 1HH2 ARG 43 2HH1 ARG 43 -42.196 -17.193 -8.464
334 2HH2 ARG 43 1HH1 ARG 43 -42.159 -18.531 -7.367
335 H ASN 44 H ASN 44 -37.656 -10.331 -3.452
336 HA ASN 44 HA ASN 44 -38.920 -7.764 -4.071
337 1HB ASN 44 2HB ASN 44 -37.197 -8.242 -1.663
338 2HB ASN 44 1HB ASN 44 -38.566 -7.151 -1.852
339 1HD2 ASN 44 2HD2 ASN 44 -40.969 -9.837 -1.541
340 2HD2 ASN 44 1HD2 ASN 44 -40.616 -8.505 -2.583
341 H LEU 45 H LEU 45 -37.638 -5.779 -3.969
342 HA LEU 45 HA LEU 45 -35.094 -6.132 -5.334
343 1HB LEU 45 2HB LEU 45 -37.038 -3.918 -4.970
344 2HB LEU 45 1HB LEU 45 -35.359 -3.445 -5.163
345 HG LEU 45 HG LEU 45 -36.486 -5.370 -7.140
346 1HD1 LEU 45 1HD1 LEU 45 -37.300 -2.509 -6.873
347 2HD1 LEU 45 3HD1 LEU 45 -37.126 -3.230 -8.474
348 3HD1 LEU 45 2HD1 LEU 45 -38.268 -3.917 -7.317
349 1HD2 LEU 45 3HD2 LEU 45 -34.130 -4.722 -7.208
350 2HD2 LEU 45 2HD2 LEU 45 -34.993 -4.169 -8.644
351 3HD2 LEU 45 1HD2 LEU 45 -34.598 -3.029 -7.357
352 H GLN 46 H GLN 46 -33.126 -5.769 -4.446
353 HA GLN 46 HA GLN 46 -32.938 -4.323 -1.924
354 1HB GLN 46 2HB GLN 46 -32.511 -7.245 -2.223
355 2HB GLN 46 1HB GLN 46 -31.340 -6.378 -1.237
356 1HG GLN 46 2HG GLN 46 -33.001 -5.651 0.272
357 2HG GLN 46 1HG GLN 46 -34.303 -6.147 -0.808
358 1HE2 GLN 46 2HE2 GLN 46 -33.122 -8.615 2.003
359 2HE2 GLN 46 1HE2 GLN 46 -32.884 -6.903 1.971
360 H CYS 47 H CYS 47 -30.780 -3.764 -1.323
361 HA CYS 47 HA CYS 47 -29.210 -2.955 -3.546
362 1HB CYS 47 2HB CYS 47 -29.279 -2.484 -0.671
363 2HB CYS 47 1HB CYS 47 -27.635 -2.553 -1.295
364 H ILE 48 H ILE 48 -26.978 -3.411 -3.882
365 HA ILE 48 HA ILE 48 -25.961 -5.945 -2.845
366 HB ILE 48 HB ILE 48 -26.599 -5.366 -5.717
367 1HG1 ILE 48 2HG1 ILE 48 -27.805 -6.972 -3.900
368 2HG1 ILE 48 1HG1 ILE 48 -27.834 -7.275 -5.632
369 1HG2 ILE 48 3HG2 ILE 48 -24.317 -7.049 -4.731
370 2HG2 ILE 48 2HG2 ILE 48 -25.079 -7.321 -6.297
371 3HG2 ILE 48 1HG2 ILE 48 -24.301 -5.775 -5.951
372 1HD1 ILE 48 2HD1 ILE 48 -25.841 -8.472 -3.722
373 2HD1 ILE 48 1HD1 ILE 48 -27.308 -9.270 -4.286
374 3HD1 ILE 48 3HD1 ILE 48 -26.036 -8.853 -5.433
375 H CYS 49 H CYS 49 -24.070 -5.370 -2.007
376 HA CYS 49 HA CYS 49 -22.526 -3.207 -3.203
377 1HB CYS 49 2HB CYS 49 -22.104 -4.774 -0.653
378 2HB CYS 49 1HB CYS 49 -21.099 -3.431 -1.186
379 H ASP 50 H ASP 50 -21.023 -3.607 -4.654
380 HA ASP 50 HA ASP 50 -19.928 -6.298 -4.930
381 1HB ASP 50 2HB ASP 50 -20.804 -4.650 -6.834
382 2HB ASP 50 1HB ASP 50 -19.142 -4.073 -6.761
383 H TYR 51 H TYR 51 -17.616 -6.599 -5.236
384 HA TYR 51 HA TYR 51 -15.973 -4.582 -3.844
385 1HB TYR 51 2HB TYR 51 -16.124 -7.553 -3.385
386 2HB TYR 51 1HB TYR 51 -14.714 -6.612 -2.905
387 HD1 TYR 51 HD1 TYR 51 -18.402 -6.829 -2.443
388 HD2 TYR 51 HD2 TYR 51 -14.685 -5.526 -0.833
389 HE1 TYR 51 HE1 TYR 51 -19.523 -6.265 -0.329
390 HE2 TYR 51 HE2 TYR 51 -15.796 -4.958 1.285
391 HH TYR 51 HH TYR 51 -17.719 -5.304 2.510
392 H CYS 52 H CYS 52 -16.124 -7.249 -6.140
393 HA CYS 52 HA CYS 52 -13.412 -6.665 -7.071
394 1HB CYS 52 2HB CYS 52 -15.273 -8.876 -7.955
395 2HB CYS 52 1HB CYS 52 -13.548 -8.748 -8.283
396 H GLU 53 H GLU 53 -15.263 -8.070 -9.470
397 HA GLU 53 HA GLU 53 -15.869 -5.495 -10.760
398 1HB GLU 53 2HB GLU 53 -14.485 -7.873 -12.019
399 2HB GLU 53 1HB GLU 53 -15.094 -6.488 -12.916
400 1HG GLU 53 2HG GLU 53 -12.913 -6.476 -10.844
401 2HG GLU 53 1HG GLU 53 -12.727 -6.262 -12.584
402 H TYR 54 HN TYR 54 -16.241 -7.947 -12.929
403 HA TYR 54 HA TYR 54 -18.159 -8.688 -13.959
404 1HB TYR 54 2HB TYR 54 -19.071 -9.777 -11.341
405 2HB TYR 54 1HB TYR 54 -18.901 -10.581 -12.897
406 HD1 TYR 54 HD1 TYR 54 -16.374 -10.780 -13.728
407 HD2 TYR 54 HD2 TYR 54 -17.582 -10.348 -9.671
408 HE1 TYR 54 HE1 TYR 54 -14.242 -11.761 -12.996
409 HE2 TYR 54 HE2 TYR 54 -15.452 -11.327 -8.928
410 HH TYR 54 HH TYR 54 -13.666 -12.672 -9.712
No H/Q in entry = 410
Start of MODEL 16
1 HN PCA 1 HN PCA 1 -17.186 -15.023 -9.376
2 HA PCA 1 HA PCA 1 -15.062 -14.026 -8.420
3 1HB PCA 1 1HB PCA 1 -15.180 -11.797 -8.050
4 2HB PCA 1 2HB PCA 1 -16.250 -12.099 -6.660
5 1HG PCA 1 1HG PCA 1 -16.966 -11.038 -9.235
6 2HG PCA 1 2HG PCA 1 -18.055 -11.441 -7.894
7 H ASP 2 H ASP 2 -17.693 -13.351 -6.142
8 HA ASP 2 HA ASP 2 -18.429 -14.472 -4.288
9 1HB ASP 2 2HB ASP 2 -18.004 -16.526 -5.865
10 2HB ASP 2 1HB ASP 2 -16.597 -16.782 -4.837
11 H LYS 3 H LYS 3 -15.402 -13.426 -4.928
12 HA LYS 3 HA LYS 3 -14.393 -13.979 -2.211
13 1HB LYS 3 2HB LYS 3 -12.920 -13.221 -4.738
14 2HB LYS 3 1HB LYS 3 -12.166 -13.320 -3.154
15 1HG LYS 3 2HG LYS 3 -13.572 -15.633 -4.466
16 2HG LYS 3 1HG LYS 3 -11.849 -15.310 -4.645
17 1HD LYS 3 2HD LYS 3 -11.576 -16.586 -2.810
18 2HD LYS 3 1HD LYS 3 -12.205 -15.211 -1.904
19 1HE LYS 3 2HE LYS 3 -13.552 -16.931 -1.167
20 2HE LYS 3 1HE LYS 3 -14.524 -16.242 -2.464
21 1HZ LYS 3 1HZ LYS 3 -12.704 -18.536 -2.892
22 2HZ LYS 3 3HZ LYS 3 -14.323 -18.731 -2.439
23 3HZ LYS 3 2HZ LYS 3 -13.938 -17.983 -3.906
24 H CYS 4 H CYS 4 -15.896 -11.632 -4.009
25 HA CYS 4 HA CYS 4 -15.277 -9.596 -2.058
26 1HB CYS 4 2HB CYS 4 -14.275 -9.460 -4.873
27 2HB CYS 4 1HB CYS 4 -14.767 -7.971 -4.073
28 H LYS 5 H LYS 5 -17.657 -10.774 -2.399
29 HA LYS 5 HA LYS 5 -19.289 -8.586 -3.431
30 1HB LYS 5 2HB LYS 5 -20.689 -9.950 -4.777
31 2HB LYS 5 1HB LYS 5 -19.034 -10.299 -5.252
32 1HG LYS 5 2HG LYS 5 -19.759 -12.435 -5.120
33 2HG LYS 5 1HG LYS 5 -19.364 -12.223 -3.415
34 1HD LYS 5 2HD LYS 5 -21.655 -11.780 -2.872
35 2HD LYS 5 1HD LYS 5 -22.101 -11.711 -4.577
36 1HE LYS 5 2HE LYS 5 -21.355 -14.108 -4.754
37 2HE LYS 5 1HE LYS 5 -21.225 -14.118 -2.995
38 1HZ LYS 5 3HZ LYS 5 -23.719 -13.389 -4.423
39 2HZ LYS 5 2HZ LYS 5 -23.372 -14.969 -3.930
40 3HZ LYS 5 1HZ LYS 5 -23.531 -13.741 -2.779
41 H LYS 6 H LYS 6 -21.106 -8.226 -2.292
42 HA LYS 6 HA LYS 6 -22.112 -10.232 -0.438
43 1HB LYS 6 2HB LYS 6 -21.244 -7.489 0.504
44 2HB LYS 6 1HB LYS 6 -22.036 -8.713 1.485
45 1HG LYS 6 2HG LYS 6 -20.096 -10.184 1.205
46 2HG LYS 6 1HG LYS 6 -19.303 -8.941 0.237
47 1HD LYS 6 2HD LYS 6 -18.424 -8.769 2.440
48 2HD LYS 6 1HD LYS 6 -19.513 -7.402 2.211
49 1HE LYS 6 2HE LYS 6 -20.837 -9.768 3.322
50 2HE LYS 6 1HE LYS 6 -19.551 -9.137 4.349
51 1HZ LYS 6 3HZ LYS 6 -20.712 -6.883 3.869
52 2HZ LYS 6 2HZ LYS 6 -22.053 -7.847 3.505
53 3HZ LYS 6 1HZ LYS 6 -21.349 -7.925 5.040
54 H VAL 7 H VAL 7 -23.697 -8.287 1.020
55 HA VAL 7 HA VAL 7 -25.200 -6.695 -0.785
56 HB VAL 7 HB VAL 7 -26.683 -8.157 -1.633
57 1HG1 VAL 7 3HG1 VAL 7 -25.170 -10.138 0.014
58 2HG1 VAL 7 2HG1 VAL 7 -26.603 -10.622 -0.887
59 3HG1 VAL 7 1HG1 VAL 7 -25.223 -9.939 -1.737
60 1HG2 VAL 7 1HG2 VAL 7 -28.115 -7.605 0.255
61 2HG2 VAL 7 3HG2 VAL 7 -28.347 -9.282 -0.234
62 3HG2 VAL 7 2HG2 VAL 7 -27.396 -8.907 1.202
63 H TYR 8 H TYR 8 -27.060 -5.672 0.272
64 HA TYR 8 HA TYR 8 -26.507 -5.268 3.089
65 1HB TYR 8 2HB TYR 8 -27.218 -3.544 1.143
66 2HB TYR 8 1HB TYR 8 -28.806 -3.887 1.820
67 HD1 TYR 8 HD1 TYR 8 -28.142 -4.205 4.684
68 HD2 TYR 8 HD2 TYR 8 -26.759 -1.364 1.838
69 HE1 TYR 8 HE1 TYR 8 -27.745 -2.591 6.496
70 HE2 TYR 8 HE2 TYR 8 -26.357 0.258 3.641
71 HH TYR 8 HH TYR 8 -27.468 -0.276 6.874
72 H GLU 9 H GLU 9 -27.405 -6.522 4.576
73 HA GLU 9 HA GLU 9 -29.591 -8.239 4.102
74 1HB GLU 9 2HB GLU 9 -28.619 -7.326 6.807
75 2HB GLU 9 1HB GLU 9 -29.455 -8.822 6.420
76 1HG GLU 9 2HG GLU 9 -27.569 -9.737 5.377
77 2HG GLU 9 1HG GLU 9 -26.763 -8.171 5.272
78 H ASN 10 H ASN 10 -29.733 -5.027 4.197
79 HA ASN 10 HA ASN 10 -32.494 -4.814 4.495
80 1HB ASN 10 2HB ASN 10 -32.675 -3.617 6.640
81 2HB ASN 10 1HB ASN 10 -32.107 -5.263 6.884
82 1HD2 ASN 10 2HD2 ASN 10 -29.011 -4.358 8.187
83 2HD2 ASN 10 1HD2 ASN 10 -30.017 -5.622 7.577
84 H TYR 11 H TYR 11 -33.148 -2.884 3.699
85 HA TYR 11 HA TYR 11 -31.795 -0.430 3.921
86 1HB TYR 11 2HB TYR 11 -30.080 -1.462 2.554
87 2HB TYR 11 1HB TYR 11 -31.275 -2.010 1.396
88 HD1 TYR 11 HD2 TYR 11 -31.727 1.394 2.608
89 HD2 TYR 11 HD1 TYR 11 -29.784 -1.012 -0.289
90 HE1 TYR 11 HE2 TYR 11 -31.272 3.395 1.258
91 HE2 TYR 11 HE1 TYR 11 -29.318 0.967 -1.642
92 HH TYR 11 HH TYR 11 -30.043 3.186 -1.973
93 HA PRO 12 HA PRO 12 -36.255 -0.011 2.829
94 1HB PRO 12 2HB PRO 12 -35.327 2.824 3.075
95 2HB PRO 12 1HB PRO 12 -36.812 2.070 3.669
96 1HG PRO 12 2HG PRO 12 -34.784 2.565 5.322
97 2HG PRO 12 1HG PRO 12 -35.753 1.089 5.478
98 1HD PRO 12 2HD PRO 12 -32.991 1.439 4.462
99 2HD PRO 12 1HD PRO 12 -33.734 0.038 5.251
100 H VAL 13 H VAL 13 -35.094 -0.793 0.710
101 HA VAL 13 HA VAL 13 -34.242 -0.201 -1.453
102 HB VAL 13 HB VAL 13 -37.193 0.218 -1.747
103 1HG1 VAL 13 1HG1 VAL 13 -35.086 -1.248 -3.319
104 2HG1 VAL 13 3HG1 VAL 13 -36.813 -1.359 -3.654
105 3HG1 VAL 13 2HG1 VAL 13 -35.986 0.191 -3.795
106 1HG2 VAL 13 2HG2 VAL 13 -35.787 -2.209 -0.708
107 2HG2 VAL 13 1HG2 VAL 13 -37.304 -1.481 -0.179
108 3HG2 VAL 13 3HG2 VAL 13 -37.239 -2.383 -1.694
109 H SER 14 H SER 14 -33.636 2.144 -0.322
110 HA SER 14 HA SER 14 -35.142 4.351 -1.263
111 1HB SER 14 2HB SER 14 -33.579 5.682 -0.231
112 2HB SER 14 1HB SER 14 -33.303 4.166 0.622
113 HG SER 14 HG SER 14 -31.786 5.328 -1.456
114 H LYS 15 H LYS 15 -35.038 5.523 -3.050
115 HA LYS 15 HA LYS 15 -34.844 5.642 -5.365
116 1HB LYS 15 2HB LYS 15 -33.155 7.152 -3.899
117 2HB LYS 15 1HB LYS 15 -32.000 6.333 -4.940
118 1HG LYS 15 2HG LYS 15 -32.455 8.159 -6.223
119 2HG LYS 15 1HG LYS 15 -33.700 7.057 -6.819
120 1HD LYS 15 2HD LYS 15 -35.331 8.061 -5.317
121 2HD LYS 15 1HD LYS 15 -34.093 9.142 -4.674
122 1HE LYS 15 2HE LYS 15 -34.575 9.120 -7.611
123 2HE LYS 15 1HE LYS 15 -35.756 9.919 -6.574
124 1HZ LYS 15 3HZ LYS 15 -33.763 11.119 -5.590
125 2HZ LYS 15 2HZ LYS 15 -32.895 10.572 -6.937
126 3HZ LYS 15 1HZ LYS 15 -34.242 11.575 -7.149
127 H CYS 16 H CYS 16 -34.256 2.841 -4.629
128 HA CYS 16 HA CYS 16 -31.902 2.056 -6.056
129 1HB CYS 16 2HB CYS 16 -33.861 0.767 -4.419
130 2HB CYS 16 1HB CYS 16 -33.753 -0.130 -5.927
131 H GLN 17 H GLN 17 -32.167 3.199 -8.031
132 HA GLN 17 HA GLN 17 -33.452 1.634 -10.069
133 1HB GLN 17 2HB GLN 17 -34.537 4.320 -9.270
134 2HB GLN 17 1HB GLN 17 -34.678 3.757 -10.929
135 1HG GLN 17 2HG GLN 17 -35.750 1.661 -9.921
136 2HG GLN 17 1HG GLN 17 -35.913 2.620 -8.451
137 1HE2 GLN 17 2HE2 GLN 17 -38.167 3.487 -11.747
138 2HE2 GLN 17 1HE2 GLN 17 -36.722 2.551 -11.884
139 H LEU 18 H LEU 18 -31.890 4.689 -9.216
140 HA LEU 18 HA LEU 18 -30.883 5.191 -11.844
141 1HB LEU 18 2HB LEU 18 -30.246 6.338 -9.138
142 2HB LEU 18 1HB LEU 18 -29.397 6.844 -10.586
143 HG LEU 18 HG LEU 18 -31.709 7.403 -11.545
144 1HD1 LEU 18 2HD1 LEU 18 -32.368 7.011 -8.643
145 2HD1 LEU 18 1HD1 LEU 18 -33.337 8.023 -9.712
146 3HD1 LEU 18 3HD1 LEU 18 -33.158 6.302 -10.049
147 1HD2 LEU 18 2HD2 LEU 18 -30.055 9.079 -10.841
148 2HD2 LEU 18 1HD2 LEU 18 -31.708 9.593 -10.501
149 3HD2 LEU 18 3HD2 LEU 18 -30.685 8.995 -9.195
150 H ALA 19 H ALA 19 -28.519 5.504 -9.425
151 HA ALA 19 HA ALA 19 -27.146 3.061 -9.570
152 1HB ALA 19 3HB ALA 19 -26.969 4.008 -11.995
153 2HB ALA 19 2HB ALA 19 -25.761 5.078 -11.286
154 3HB ALA 19 1HB ALA 19 -25.541 3.328 -11.215
155 H ASN 20 H ASN 20 -27.838 5.478 -7.931
156 HA ASN 20 HA ASN 20 -25.136 6.111 -6.946
157 1HB ASN 20 2HB ASN 20 -26.202 8.116 -7.704
158 2HB ASN 20 1HB ASN 20 -27.697 7.710 -6.865
159 1HD2 ASN 20 2HD2 ASN 20 -24.492 9.119 -4.745
160 2HD2 ASN 20 1HD2 ASN 20 -24.261 8.291 -6.244
161 H GLN 21 H GLN 21 -27.609 7.167 -4.931
162 HA GLN 21 HA GLN 21 -27.372 6.483 -2.576
163 1HB GLN 21 2HB GLN 21 -29.678 5.227 -4.068
164 2HB GLN 21 1HB GLN 21 -29.574 5.284 -2.314
165 1HG GLN 21 2HG GLN 21 -29.771 7.608 -4.209
166 2HG GLN 21 1HG GLN 21 -30.973 7.064 -3.040
167 1HE2 GLN 21 2HE2 GLN 21 -27.774 9.296 -1.862
168 2HE2 GLN 21 1HE2 GLN 21 -27.800 8.518 -3.403
169 H CYS 22 H CYS 22 -28.389 3.618 -4.431
170 HA CYS 22 HA CYS 22 -27.449 1.750 -2.559
171 1HB CYS 22 2HB CYS 22 -29.133 1.240 -4.303
172 2HB CYS 22 1HB CYS 22 -27.875 1.358 -5.528
173 H ASN 23 H ASN 23 -26.091 2.287 -5.814
174 HA ASN 23 HA ASN 23 -23.721 0.956 -5.454
175 1HB ASN 23 2HB ASN 23 -24.799 2.702 -7.387
176 2HB ASN 23 1HB ASN 23 -23.249 3.412 -6.948
177 1HD2 ASN 23 2HD2 ASN 23 -21.326 0.727 -8.232
178 2HD2 ASN 23 1HD2 ASN 23 -21.376 1.938 -7.001
179 H TYR 24 H TYR 24 -24.464 4.334 -4.679
180 HA TYR 24 HA TYR 24 -21.970 5.085 -3.659
181 1HB TYR 24 2HB TYR 24 -23.414 6.879 -3.979
182 2HB TYR 24 1HB TYR 24 -24.780 6.040 -3.253
183 HD1 TYR 24 HD1 TYR 24 -21.429 7.397 -2.309
184 HD2 TYR 24 HD2 TYR 24 -25.453 6.670 -1.132
185 HE1 TYR 24 HE1 TYR 24 -21.016 8.575 -0.193
186 HE2 TYR 24 HE2 TYR 24 -25.050 7.849 0.990
187 HH TYR 24 HH TYR 24 -21.857 8.841 1.961
188 H ASP 25 H ASP 25 -24.831 3.762 -2.015
189 HA ASP 25 HA ASP 25 -23.889 3.738 0.584
190 1HB ASP 25 2HB ASP 25 -25.889 2.128 -0.931
191 2HB ASP 25 1HB ASP 25 -25.396 1.519 0.642
192 H CYS 26 H CYS 26 -23.689 1.024 -1.756
193 HA CYS 26 HA CYS 26 -22.079 -0.586 -0.123
194 1HB CYS 26 2HB CYS 26 -22.231 -0.456 -3.144
195 2HB CYS 26 1HB CYS 26 -21.392 -1.717 -2.246
196 H LYS 27 H LYS 27 -21.261 1.861 -2.540
197 HA LYS 27 HA LYS 27 -18.459 1.612 -2.407
198 1HB LYS 27 2HB LYS 27 -19.943 2.931 -4.078
199 2HB LYS 27 1HB LYS 27 -19.832 4.238 -2.907
200 1HG LYS 27 2HG LYS 27 -17.489 4.398 -3.150
201 2HG LYS 27 1HG LYS 27 -17.402 2.873 -4.028
202 1HD LYS 27 2HD LYS 27 -17.309 4.248 -5.831
203 2HD LYS 27 1HD LYS 27 -19.063 4.242 -5.658
204 1HE LYS 27 2HE LYS 27 -17.233 6.289 -4.413
205 2HE LYS 27 1HE LYS 27 -18.080 6.508 -5.943
206 1HZ LYS 27 2HZ LYS 27 -20.050 5.764 -4.240
207 2HZ LYS 27 1HZ LYS 27 -19.067 6.728 -3.257
208 3HZ LYS 27 3HZ LYS 27 -19.700 7.355 -4.696
209 H LEU 28 H LEU 28 -20.266 1.996 0.115
210 HA LEU 28 HA LEU 28 -18.267 3.302 1.698
211 1HB LEU 28 2HB LEU 28 -19.812 5.129 0.696
212 2HB LEU 28 1HB LEU 28 -21.023 4.504 1.800
213 HG LEU 28 HG LEU 28 -19.177 4.899 3.616
214 1HD1 LEU 28 1HD1 LEU 28 -17.486 5.460 1.807
215 2HD1 LEU 28 3HD1 LEU 28 -18.349 6.987 1.621
216 3HD1 LEU 28 2HD1 LEU 28 -17.597 6.581 3.165
217 1HD2 LEU 28 1HD2 LEU 28 -20.925 6.942 2.291
218 2HD2 LEU 28 3HD2 LEU 28 -21.162 6.098 3.821
219 3HD2 LEU 28 2HD2 LEU 28 -19.937 7.360 3.691
220 H ASP 29 H ASP 29 -20.781 3.842 3.543
221 HA ASP 29 HA ASP 29 -21.510 2.741 5.430
222 1HB ASP 29 2HB ASP 29 -22.427 0.924 3.195
223 2HB ASP 29 1HB ASP 29 -23.028 0.835 4.849
224 H LYS 30 H LYS 30 -20.788 -0.146 3.471
225 HA LYS 30 HA LYS 30 -19.395 -1.314 5.749
226 1HB LYS 30 2HB LYS 30 -19.766 -2.669 3.097
227 2HB LYS 30 1HB LYS 30 -19.646 -3.392 4.692
228 1HG LYS 30 2HG LYS 30 -21.980 -1.689 3.851
229 2HG LYS 30 1HG LYS 30 -21.917 -3.430 3.579
230 1HD LYS 30 2HD LYS 30 -21.310 -3.383 6.196
231 2HD LYS 30 1HD LYS 30 -22.272 -1.908 6.100
232 1HE LYS 30 2HE LYS 30 -23.843 -3.551 6.594
233 2HE LYS 30 1HE LYS 30 -23.987 -3.358 4.848
234 1HZ LYS 30 3HZ LYS 30 -22.050 -5.335 5.605
235 2HZ LYS 30 2HZ LYS 30 -23.607 -5.707 6.150
236 3HZ LYS 30 1HZ LYS 30 -23.329 -5.444 4.502
237 H HIS 31 H HIS 31 -18.639 0.497 3.048
238 HA HIS 31 HA HIS 31 -16.615 1.243 2.292
239 1HB HIS 31 2HB HIS 31 -15.154 -0.926 3.761
240 2HB HIS 31 1HB HIS 31 -14.618 0.702 3.362
241 HD1 HIS 31 HD1 HIS 31 -15.134 -1.004 6.242
242 HD2 HIS 31 HD2 HIS 31 -16.866 2.492 4.813
243 HE1 HIS 31 HE1 HIS 31 -15.992 0.200 8.274
244 HE2 HIS 31 HE2 HIS 31 -16.959 2.352 7.394
245 H ALA 32 H ALA 32 -18.114 -0.315 0.713
246 HA ALA 32 HA ALA 32 -16.481 -2.475 -0.356
247 1HB ALA 32 3HB ALA 32 -19.094 -2.388 -0.092
248 2HB ALA 32 2HB ALA 32 -19.010 -1.582 -1.657
249 3HB ALA 32 1HB ALA 32 -18.351 -3.207 -1.465
250 H ARG 33 H ARG 33 -17.889 -1.704 -3.028
251 HA ARG 33 HA ARG 33 -16.159 0.502 -3.864
252 1HB ARG 33 2HB ARG 33 -16.007 -2.320 -4.828
253 2HB ARG 33 1HB ARG 33 -15.779 -1.036 -6.009
254 1HG ARG 33 2HG ARG 33 -14.040 -0.116 -4.340
255 2HG ARG 33 1HG ARG 33 -14.100 -1.733 -3.636
256 1HD ARG 33 2HD ARG 33 -13.587 -2.674 -5.864
257 2HD ARG 33 1HD ARG 33 -13.430 -1.034 -6.490
258 HE ARG 33 HE ARG 33 -11.739 -1.722 -4.230
259 1HH1 ARG 33 1HH2 ARG 33 -12.056 -1.360 -7.678
260 2HH1 ARG 33 2HH2 ARG 33 -10.349 -1.255 -7.955
261 1HH2 ARG 33 2HH1 ARG 33 -9.487 -1.579 -4.583
262 2HH2 ARG 33 1HH1 ARG 33 -8.889 -1.379 -6.196
263 H SER 34 H SER 34 -18.536 -1.889 -5.047
264 HA SER 34 HA SER 34 -20.264 0.252 -5.936
265 1HB SER 34 2HB SER 34 -20.329 -0.987 -8.291
266 2HB SER 34 1HB SER 34 -19.173 0.304 -7.958
267 HG SER 34 HG SER 34 -17.601 -1.088 -8.063
268 H GLY 35 H GLY 35 -22.360 -0.346 -5.827
269 1HA GLY 35 2HA GLY 35 -22.878 -3.191 -5.260
270 2HA GLY 35 1HA GLY 35 -23.863 -1.849 -4.706
271 H GLU 36 H GLU 36 -25.689 -3.012 -5.504
272 HA GLU 36 HA GLU 36 -26.437 -2.184 -8.123
273 1HB GLU 36 2HB GLU 36 -24.870 -4.343 -8.295
274 2HB GLU 36 1HB GLU 36 -26.401 -5.162 -8.006
275 1HG GLU 36 2HG GLU 36 -25.810 -3.220 -10.235
276 2HG GLU 36 1HG GLU 36 -25.939 -4.974 -10.379
277 H CYS 37 H CYS 37 -28.575 -2.026 -8.248
278 HA CYS 37 HA CYS 37 -30.226 -3.175 -6.134
279 1HB CYS 37 2HB CYS 37 -30.840 -1.202 -8.342
280 2HB CYS 37 1HB CYS 37 -32.014 -1.735 -7.142
281 H PHE 38 H PHE 38 -31.356 -5.052 -6.468
282 HA PHE 38 HA PHE 38 -32.356 -5.636 -9.156
283 1HB PHE 38 2HB PHE 38 -31.395 -7.934 -9.115
284 2HB PHE 38 1HB PHE 38 -30.164 -6.673 -9.204
285 HD1 PHE 38 HD2 PHE 38 -28.999 -5.986 -7.091
286 HD2 PHE 38 HD1 PHE 38 -31.392 -9.487 -7.361
287 HE1 PHE 38 HE2 PHE 38 -27.969 -6.840 -5.055
288 HE2 PHE 38 HE1 PHE 38 -30.345 -10.360 -5.313
289 HZ PHE 38 HZ PHE 38 -28.624 -9.028 -4.162
290 H TYR 39 H TYR 39 -34.172 -6.857 -9.209
291 HA TYR 39 HA TYR 39 -35.646 -7.184 -6.791
292 1HB TYR 39 2HB TYR 39 -36.195 -7.860 -9.660
293 2HB TYR 39 1HB TYR 39 -37.316 -8.295 -8.372
294 HD1 TYR 39 HD1 TYR 39 -38.218 -6.406 -6.884
295 HD2 TYR 39 HD2 TYR 39 -36.215 -5.715 -10.584
296 HE1 TYR 39 HE1 TYR 39 -39.217 -4.160 -7.009
297 HE2 TYR 39 HE2 TYR 39 -37.209 -3.469 -10.708
298 HH TYR 39 HH TYR 39 -38.231 -1.833 -9.398
299 H ASP 40 H ASP 40 -36.006 -8.891 -5.580
300 HA ASP 40 HA ASP 40 -35.337 -11.568 -6.506
301 1HB ASP 40 2HB ASP 40 -34.001 -12.002 -4.434
302 2HB ASP 40 1HB ASP 40 -33.232 -10.886 -5.556
303 H GLU 41 H GLU 41 -35.496 -12.863 -4.144
304 HA GLU 41 HA GLU 41 -37.323 -14.011 -3.323
305 1HB GLU 41 2HB GLU 41 -36.076 -12.199 -1.669
306 2HB GLU 41 1HB GLU 41 -37.777 -11.854 -1.394
307 1HG GLU 41 2HG GLU 41 -38.174 -14.190 -0.836
308 2HG GLU 41 1HG GLU 41 -36.475 -14.554 -1.133
309 H LYS 42 H LYS 42 -38.317 -12.795 -5.514
310 HA LYS 42 HA LYS 42 -40.294 -12.378 -6.508
311 1HB LYS 42 2HB LYS 42 -41.542 -12.621 -3.799
312 2HB LYS 42 1HB LYS 42 -42.355 -12.744 -5.349
313 1HG LYS 42 2HG LYS 42 -41.755 -14.892 -5.645
314 2HG LYS 42 1HG LYS 42 -40.125 -14.622 -5.028
315 1HD LYS 42 2HD LYS 42 -41.644 -16.171 -3.696
316 2HD LYS 42 1HD LYS 42 -40.795 -14.904 -2.812
317 1HE LYS 42 2HE LYS 42 -42.705 -13.794 -2.301
318 2HE LYS 42 1HE LYS 42 -43.458 -14.171 -3.851
319 1HZ LYS 42 2HZ LYS 42 -43.762 -16.481 -2.972
320 2HZ LYS 42 1HZ LYS 42 -43.266 -15.914 -1.457
321 3HZ LYS 42 3HZ LYS 42 -44.668 -15.295 -2.176
322 H ARG 43 H ARG 43 -39.535 -10.329 -6.933
323 HA ARG 43 HA ARG 43 -39.731 -8.068 -7.134
324 1HB ARG 43 2HB ARG 43 -42.186 -8.784 -7.098
325 2HB ARG 43 1HB ARG 43 -42.198 -8.221 -5.432
326 1HG ARG 43 2HG ARG 43 -41.290 -6.019 -6.366
327 2HG ARG 43 1HG ARG 43 -41.792 -6.637 -7.941
328 1HD ARG 43 2HD ARG 43 -43.502 -5.213 -6.904
329 2HD ARG 43 1HD ARG 43 -44.065 -6.861 -7.167
330 HE ARG 43 HE ARG 43 -44.079 -7.210 -4.859
331 1HH1 ARG 43 1HH2 ARG 43 -42.902 -4.038 -5.676
332 2HH1 ARG 43 2HH2 ARG 43 -43.038 -3.425 -4.062
333 1HH2 ARG 43 2HH1 ARG 43 -44.268 -6.414 -2.724
334 2HH2 ARG 43 1HH1 ARG 43 -43.815 -4.777 -2.384
335 H ASN 44 H ASN 44 -37.905 -8.673 -5.262
336 HA ASN 44 HA ASN 44 -38.587 -7.219 -2.836
337 1HB ASN 44 2HB ASN 44 -36.401 -9.076 -3.601
338 2HB ASN 44 1HB ASN 44 -36.104 -7.936 -2.292
339 1HD2 ASN 44 2HD2 ASN 44 -39.313 -10.365 -1.647
340 2HD2 ASN 44 1HD2 ASN 44 -39.166 -9.449 -3.105
341 H LEU 45 H LEU 45 -35.880 -7.164 -5.052
342 HA LEU 45 HA LEU 45 -34.682 -5.411 -5.945
343 1HB LEU 45 2HB LEU 45 -37.010 -4.242 -5.807
344 2HB LEU 45 1HB LEU 45 -36.318 -3.431 -4.419
345 HG LEU 45 HG LEU 45 -34.581 -2.445 -5.777
346 1HD1 LEU 45 1HD1 LEU 45 -35.567 -4.380 -7.796
347 2HD1 LEU 45 3HD1 LEU 45 -35.000 -2.814 -8.379
348 3HD1 LEU 45 2HD1 LEU 45 -33.925 -3.846 -7.438
349 1HD2 LEU 45 2HD2 LEU 45 -37.427 -2.123 -6.571
350 2HD2 LEU 45 1HD2 LEU 45 -36.315 -0.965 -5.842
351 3HD2 LEU 45 3HD2 LEU 45 -36.201 -1.331 -7.562
352 H GLN 46 H GLN 46 -33.292 -6.566 -4.304
353 HA GLN 46 HA GLN 46 -32.662 -4.936 -1.972
354 1HB GLN 46 2HB GLN 46 -32.386 -7.726 -2.676
355 2HB GLN 46 1HB GLN 46 -30.838 -7.087 -2.137
356 1HG GLN 46 2HG GLN 46 -31.983 -6.226 -0.101
357 2HG GLN 46 1HG GLN 46 -33.443 -7.061 -0.632
358 1HE2 GLN 46 2HE2 GLN 46 -30.243 -9.196 0.758
359 2HE2 GLN 46 1HE2 GLN 46 -30.032 -7.601 0.129
360 H CYS 47 H CYS 47 -30.031 -5.103 -1.618
361 HA CYS 47 HA CYS 47 -28.849 -3.959 -4.061
362 1HB CYS 47 2HB CYS 47 -29.080 -2.831 -1.347
363 2HB CYS 47 1HB CYS 47 -27.536 -2.580 -2.150
364 H ILE 48 H ILE 48 -27.084 -4.893 -4.717
365 HA ILE 48 HA ILE 48 -25.604 -6.708 -2.992
366 HB ILE 48 HB ILE 48 -25.790 -6.242 -5.924
367 1HG1 ILE 48 2HG1 ILE 48 -26.491 -8.321 -4.210
368 2HG1 ILE 48 1HG1 ILE 48 -26.444 -8.401 -5.962
369 1HG2 ILE 48 2HG2 ILE 48 -23.240 -7.160 -4.627
370 2HG2 ILE 48 1HG2 ILE 48 -23.645 -7.481 -6.314
371 3HG2 ILE 48 3HG2 ILE 48 -23.474 -5.820 -5.751
372 1HD1 ILE 48 3HD1 ILE 48 -24.112 -9.084 -4.207
373 2HD1 ILE 48 2HD1 ILE 48 -25.295 -10.254 -4.789
374 3HD1 ILE 48 1HD1 ILE 48 -24.288 -9.372 -5.936
375 H CYS 49 H CYS 49 -23.283 -6.479 -2.728
376 HA CYS 49 HA CYS 49 -22.239 -3.771 -3.200
377 1HB CYS 49 2HB CYS 49 -22.176 -5.273 -0.582
378 2HB CYS 49 1HB CYS 49 -21.171 -3.869 -0.924
379 H ASP 50 H ASP 50 -20.611 -4.094 -4.556
380 HA ASP 50 HA ASP 50 -18.910 -6.456 -4.264
381 1HB ASP 50 2HB ASP 50 -18.932 -4.341 -6.434
382 2HB ASP 50 1HB ASP 50 -17.980 -5.823 -6.445
383 H TYR 51 H TYR 51 -16.874 -6.407 -3.604
384 HA TYR 51 HA TYR 51 -15.832 -3.856 -2.600
385 1HB TYR 51 2HB TYR 51 -15.259 -6.736 -1.932
386 2HB TYR 51 1HB TYR 51 -14.272 -5.412 -1.317
387 HD1 TYR 51 HD2 TYR 51 -17.914 -6.240 -1.609
388 HD2 TYR 51 HD1 TYR 51 -14.769 -4.738 0.834
389 HE1 TYR 51 HE2 TYR 51 -19.502 -5.950 0.244
390 HE2 TYR 51 HE1 TYR 51 -16.350 -4.445 2.695
391 HH TYR 51 HH TYR 51 -18.788 -4.147 3.012
392 H CYS 52 H CYS 52 -15.260 -6.361 -4.899
393 HA CYS 52 HA CYS 52 -12.917 -4.918 -5.887
394 1HB CYS 52 2HB CYS 52 -12.901 -7.926 -5.739
395 2HB CYS 52 1HB CYS 52 -11.550 -6.839 -6.018
396 H GLU 53 H GLU 53 -13.172 -7.884 -7.352
397 HA GLU 53 HA GLU 53 -15.268 -8.090 -8.967
398 1HB GLU 53 2HB GLU 53 -14.514 -6.817 -11.077
399 2HB GLU 53 1HB GLU 53 -15.329 -5.912 -9.815
400 1HG GLU 53 2HG GLU 53 -12.558 -5.811 -9.236
401 2HG GLU 53 1HG GLU 53 -12.732 -5.490 -10.958
402 H TYR 54 HN TYR 54 -12.739 -7.329 -11.084
403 HA TYR 54 HA TYR 54 -12.159 -10.152 -11.478
404 1HB TYR 54 2HB TYR 54 -11.361 -7.707 -13.068
405 2HB TYR 54 1HB TYR 54 -10.992 -9.369 -13.522
406 HD1 TYR 54 HD1 TYR 54 -12.927 -10.951 -13.940
407 HD2 TYR 54 HD2 TYR 54 -13.428 -6.739 -13.639
408 HE1 TYR 54 HE1 TYR 54 -15.096 -11.135 -15.072
409 HE2 TYR 54 HE2 TYR 54 -15.601 -6.909 -14.775
410 HH TYR 54 HH TYR 54 -16.790 -8.419 -16.264
No H/Q in entry = 410
Start of MODEL 17
1 HN PCA 1 HN PCA 1 -18.884 -18.979 -8.201
2 HA PCA 1 HA PCA 1 -17.492 -20.849 -7.214
3 1HB PCA 1 1HB PCA 1 -15.399 -20.972 -8.069
4 2HB PCA 1 2HB PCA 1 -14.955 -19.521 -7.141
5 1HG PCA 1 1HG PCA 1 -15.380 -19.730 -9.972
6 2HG PCA 1 2HG PCA 1 -15.070 -18.254 -9.038
7 H ASP 2 H ASP 2 -17.333 -17.383 -6.864
8 HA ASP 2 HA ASP 2 -17.754 -17.641 -4.000
9 1HB ASP 2 2HB ASP 2 -15.964 -15.697 -3.789
10 2HB ASP 2 1HB ASP 2 -15.480 -17.389 -3.746
11 H LYS 3 H LYS 3 -18.633 -15.738 -3.035
12 HA LYS 3 HA LYS 3 -19.916 -13.964 -5.001
13 1HB LYS 3 2HB LYS 3 -20.999 -15.459 -2.940
14 2HB LYS 3 1HB LYS 3 -20.938 -13.844 -2.252
15 1HG LYS 3 2HG LYS 3 -23.016 -13.865 -3.224
16 2HG LYS 3 1HG LYS 3 -22.040 -13.132 -4.496
17 1HD LYS 3 2HD LYS 3 -21.936 -15.188 -5.705
18 2HD LYS 3 1HD LYS 3 -22.658 -16.080 -4.363
19 1HE LYS 3 2HE LYS 3 -24.183 -15.524 -6.315
20 2HE LYS 3 1HE LYS 3 -24.767 -15.100 -4.706
21 1HZ LYS 3 2HZ LYS 3 -23.322 -12.928 -5.721
22 2HZ LYS 3 1HZ LYS 3 -24.410 -13.423 -6.918
23 3HZ LYS 3 3HZ LYS 3 -24.975 -13.015 -5.376
24 H CYS 4 H CYS 4 -18.968 -12.065 -5.246
25 HA CYS 4 HA CYS 4 -17.498 -10.864 -3.016
26 1HB CYS 4 2HB CYS 4 -17.426 -10.601 -5.976
27 2HB CYS 4 1HB CYS 4 -17.019 -9.166 -5.040
28 H LYS 5 H LYS 5 -20.554 -10.876 -4.119
29 HA LYS 5 HA LYS 5 -21.058 -8.077 -3.337
30 1HB LYS 5 2HB LYS 5 -23.031 -9.618 -4.967
31 2HB LYS 5 1HB LYS 5 -22.731 -7.886 -4.920
32 1HG LYS 5 2HG LYS 5 -21.941 -8.507 -7.001
33 2HG LYS 5 1HG LYS 5 -20.483 -8.440 -6.013
34 1HD LYS 5 2HD LYS 5 -20.048 -10.512 -6.778
35 2HD LYS 5 1HD LYS 5 -21.325 -11.057 -5.690
36 1HE LYS 5 2HE LYS 5 -22.952 -10.953 -7.451
37 2HE LYS 5 1HE LYS 5 -21.792 -10.193 -8.540
38 1HZ LYS 5 3HZ LYS 5 -20.437 -12.270 -8.301
39 2HZ LYS 5 2HZ LYS 5 -21.765 -12.978 -7.527
40 3HZ LYS 5 1HZ LYS 5 -21.899 -12.457 -9.130
41 H LYS 6 H LYS 6 -22.237 -7.803 -1.526
42 HA LYS 6 HA LYS 6 -23.962 -10.034 -0.644
43 1HB LYS 6 2HB LYS 6 -22.598 -8.491 1.493
44 2HB LYS 6 1HB LYS 6 -22.998 -10.202 1.415
45 1HG LYS 6 2HG LYS 6 -20.736 -8.903 -0.087
46 2HG LYS 6 1HG LYS 6 -20.572 -9.736 1.458
47 1HD LYS 6 2HD LYS 6 -21.968 -11.339 -0.551
48 2HD LYS 6 1HD LYS 6 -20.334 -10.897 -1.046
49 1HE LYS 6 2HE LYS 6 -20.576 -13.074 0.209
50 2HE LYS 6 1HE LYS 6 -19.380 -11.944 0.841
51 1HZ LYS 6 1HZ LYS 6 -21.719 -11.319 2.136
52 2HZ LYS 6 3HZ LYS 6 -21.693 -13.011 2.108
53 3HZ LYS 6 2HZ LYS 6 -20.400 -12.155 2.785
54 H VAL 7 H VAL 7 -25.881 -9.506 0.222
55 HA VAL 7 HA VAL 7 -26.992 -6.969 -0.240
56 HB VAL 7 HB VAL 7 -28.985 -7.841 0.471
57 1HG1 VAL 7 2HG1 VAL 7 -27.710 -9.453 -1.077
58 2HG1 VAL 7 1HG1 VAL 7 -27.577 -10.483 0.346
59 3HG1 VAL 7 3HG1 VAL 7 -29.166 -10.038 -0.275
60 1HG2 VAL 7 3HG2 VAL 7 -27.411 -9.123 2.668
61 2HG2 VAL 7 2HG2 VAL 7 -28.808 -8.050 2.766
62 3HG2 VAL 7 1HG2 VAL 7 -29.020 -9.728 2.271
63 H TYR 8 H TYR 8 -27.582 -5.296 1.182
64 HA TYR 8 HA TYR 8 -25.879 -5.115 3.540
65 1HB TYR 8 2HB TYR 8 -25.768 -3.185 2.147
66 2HB TYR 8 1HB TYR 8 -27.520 -3.087 2.023
67 HD1 TYR 8 HD2 TYR 8 -25.892 -3.717 5.259
68 HD2 TYR 8 HD1 TYR 8 -27.561 -0.761 2.691
69 HE1 TYR 8 HE2 TYR 8 -25.943 -2.131 7.128
70 HE2 TYR 8 HE1 TYR 8 -27.613 0.836 4.559
71 HH TYR 8 HH TYR 8 -26.686 -0.137 7.832
72 H GLU 9 H GLU 9 -27.913 -6.948 3.787
73 HA GLU 9 HA GLU 9 -30.048 -7.318 4.739
74 1HB GLU 9 2HB GLU 9 -29.536 -7.105 7.303
75 2HB GLU 9 1HB GLU 9 -28.691 -8.285 6.312
76 1HG GLU 9 2HG GLU 9 -26.825 -6.661 6.075
77 2HG GLU 9 1HG GLU 9 -27.661 -5.609 7.218
78 H ASN 10 H ASN 10 -31.206 -5.489 3.852
79 HA ASN 10 HA ASN 10 -33.027 -4.151 4.480
80 1HB ASN 10 2HB ASN 10 -31.353 -2.999 6.716
81 2HB ASN 10 1HB ASN 10 -33.071 -2.782 6.435
82 1HD2 ASN 10 2HD2 ASN 10 -33.524 -6.411 7.252
83 2HD2 ASN 10 1HD2 ASN 10 -33.632 -5.503 5.784
84 H TYR 11 H TYR 11 -33.476 -2.114 3.737
85 HA TYR 11 HA TYR 11 -31.669 -0.004 3.447
86 1HB TYR 11 2HB TYR 11 -30.605 -1.653 1.840
87 2HB TYR 11 1HB TYR 11 -32.044 -1.478 0.840
88 HD1 TYR 11 HD1 TYR 11 -29.391 0.573 2.474
89 HD2 TYR 11 HD2 TYR 11 -32.090 0.182 -0.790
90 HE1 TYR 11 HE1 TYR 11 -28.404 2.567 1.429
91 HE2 TYR 11 HE2 TYR 11 -31.112 2.178 -1.844
92 HH TYR 11 HH TYR 11 -29.445 3.672 -1.770
93 HA PRO 12 HA PRO 12 -35.761 1.845 3.026
94 1HB PRO 12 2HB PRO 12 -34.100 3.874 1.575
95 2HB PRO 12 1HB PRO 12 -35.373 4.118 2.777
96 1HG PRO 12 2HG PRO 12 -32.790 4.298 3.438
97 2HG PRO 12 1HG PRO 12 -33.987 3.607 4.549
98 1HD PRO 12 2HD PRO 12 -31.859 2.260 2.995
99 2HD PRO 12 1HD PRO 12 -32.658 1.753 4.495
100 H VAL 13 H VAL 13 -36.319 0.103 1.493
101 HA VAL 13 HA VAL 13 -35.740 0.105 -1.225
102 HB VAL 13 HB VAL 13 -38.475 -0.675 -0.300
103 1HG1 VAL 13 3HG1 VAL 13 -37.675 -0.935 -2.671
104 2HG1 VAL 13 2HG1 VAL 13 -36.523 -2.129 -2.070
105 3HG1 VAL 13 1HG1 VAL 13 -38.257 -2.413 -1.903
106 1HG2 VAL 13 2HG2 VAL 13 -35.884 -1.926 0.530
107 2HG2 VAL 13 1HG2 VAL 13 -37.309 -1.563 1.505
108 3HG2 VAL 13 3HG2 VAL 13 -37.343 -2.902 0.356
109 H SER 14 H SER 14 -35.804 2.083 -2.207
110 HA SER 14 HA SER 14 -38.258 2.989 -3.241
111 1HB SER 14 2HB SER 14 -38.003 5.353 -2.108
112 2HB SER 14 1HB SER 14 -38.878 4.061 -1.286
113 HG SER 14 HG SER 14 -37.508 4.664 0.243
114 H LYS 15 H LYS 15 -35.352 4.769 -2.164
115 HA LYS 15 HA LYS 15 -35.023 6.095 -4.637
116 1HB LYS 15 2HB LYS 15 -33.008 5.599 -2.432
117 2HB LYS 15 1HB LYS 15 -32.791 6.726 -3.764
118 1HG LYS 15 2HG LYS 15 -33.631 8.265 -2.366
119 2HG LYS 15 1HG LYS 15 -35.194 7.534 -2.730
120 1HD LYS 15 2HD LYS 15 -35.232 7.496 -0.436
121 2HD LYS 15 1HD LYS 15 -34.530 5.911 -0.768
122 1HE LYS 15 2HE LYS 15 -33.212 6.893 0.942
123 2HE LYS 15 1HE LYS 15 -32.266 6.992 -0.542
124 1HZ LYS 15 1HZ LYS 15 -33.147 9.312 -0.768
125 2HZ LYS 15 3HZ LYS 15 -33.757 9.172 0.804
126 3HZ LYS 15 2HZ LYS 15 -32.090 9.072 0.531
127 H CYS 16 H CYS 16 -34.025 3.018 -3.450
128 HA CYS 16 HA CYS 16 -31.927 2.497 -5.276
129 1HB CYS 16 2HB CYS 16 -33.147 1.186 -3.090
130 2HB CYS 16 1HB CYS 16 -33.262 0.079 -4.449
131 H GLN 17 H GLN 17 -32.617 3.045 -7.316
132 HA GLN 17 HA GLN 17 -34.106 1.008 -8.705
133 1HB GLN 17 2HB GLN 17 -35.200 3.782 -8.344
134 2HB GLN 17 1HB GLN 17 -35.602 2.835 -9.769
135 1HG GLN 17 2HG GLN 17 -36.377 1.025 -8.186
136 2HG GLN 17 1HG GLN 17 -36.235 2.223 -6.900
137 1HE2 GLN 17 2HE2 GLN 17 -39.118 2.690 -9.775
138 2HE2 GLN 17 1HE2 GLN 17 -37.651 1.853 -10.134
139 H LEU 18 H LEU 18 -31.420 2.479 -8.692
140 HA LEU 18 HA LEU 18 -31.070 2.479 -11.520
141 1HB LEU 18 2HB LEU 18 -30.123 5.082 -10.830
142 2HB LEU 18 1HB LEU 18 -31.326 4.648 -12.023
143 HG LEU 18 HG LEU 18 -33.104 4.930 -10.435
144 1HD1 LEU 18 3HD1 LEU 18 -31.016 4.551 -8.476
145 2HD1 LEU 18 2HD1 LEU 18 -31.911 6.030 -8.141
146 3HD1 LEU 18 1HD1 LEU 18 -32.765 4.497 -8.278
147 1HD2 LEU 18 1HD2 LEU 18 -31.078 7.129 -10.577
148 2HD2 LEU 18 3HD2 LEU 18 -32.611 6.962 -11.433
149 3HD2 LEU 18 2HD2 LEU 18 -32.598 7.349 -9.712
150 H ALA 19 H ALA 19 -29.389 4.478 -9.118
151 HA ALA 19 HA ALA 19 -27.332 2.674 -8.454
152 1HB ALA 19 3HB ALA 19 -26.709 4.530 -10.749
153 2HB ALA 19 2HB ALA 19 -25.499 3.649 -9.818
154 3HB ALA 19 1HB ALA 19 -26.689 2.768 -10.773
155 H ASN 20 H ASN 20 -25.176 4.495 -8.343
156 HA ASN 20 HA ASN 20 -24.315 6.082 -6.984
157 1HB ASN 20 2HB ASN 20 -25.766 7.546 -8.446
158 2HB ASN 20 1HB ASN 20 -26.996 7.461 -7.188
159 1HD2 ASN 20 2HD2 ASN 20 -24.868 9.253 -4.833
160 2HD2 ASN 20 1HD2 ASN 20 -25.738 7.763 -4.904
161 H GLN 21 H GLN 21 -27.732 6.188 -5.952
162 HA GLN 21 HA GLN 21 -27.420 6.478 -3.286
163 1HB GLN 21 2HB GLN 21 -29.344 4.444 -4.422
164 2HB GLN 21 1HB GLN 21 -29.528 5.384 -2.948
165 1HG GLN 21 2HG GLN 21 -29.409 6.626 -5.681
166 2HG GLN 21 1HG GLN 21 -30.911 6.124 -4.906
167 1HE2 GLN 21 2HE2 GLN 21 -28.871 9.391 -3.546
168 2HE2 GLN 21 1HE2 GLN 21 -28.081 8.191 -4.505
169 H CYS 22 H CYS 22 -28.049 3.203 -4.491
170 HA CYS 22 HA CYS 22 -26.923 1.896 -2.286
171 1HB CYS 22 2HB CYS 22 -28.481 1.035 -4.212
172 2HB CYS 22 1HB CYS 22 -26.962 0.626 -5.001
173 H ASN 23 H ASN 23 -25.587 2.613 -5.481
174 HA ASN 23 HA ASN 23 -23.140 1.342 -5.270
175 1HB ASN 23 2HB ASN 23 -24.353 2.797 -7.185
176 2HB ASN 23 1HB ASN 23 -23.169 3.983 -6.636
177 1HD2 ASN 23 2HD2 ASN 23 -20.608 1.261 -7.342
178 2HD2 ASN 23 1HD2 ASN 23 -21.313 1.798 -5.860
179 H TYR 24 H TYR 24 -23.350 4.888 -5.053
180 HA TYR 24 HA TYR 24 -20.943 5.316 -3.799
181 1HB TYR 24 2HB TYR 24 -21.665 7.406 -4.205
182 2HB TYR 24 1HB TYR 24 -23.330 6.857 -4.326
183 HD1 TYR 24 HD2 TYR 24 -20.759 7.545 -1.723
184 HD2 TYR 24 HD1 TYR 24 -24.856 7.725 -2.830
185 HE1 TYR 24 HE2 TYR 24 -21.269 8.674 0.390
186 HE2 TYR 24 HE1 TYR 24 -25.385 8.854 -0.715
187 HH TYR 24 HH TYR 24 -24.477 9.135 1.506
188 H ASP 25 H ASP 25 -24.080 4.639 -2.263
189 HA ASP 25 HA ASP 25 -23.391 5.009 0.384
190 1HB ASP 25 2HB ASP 25 -25.244 3.038 -0.928
191 2HB ASP 25 1HB ASP 25 -25.019 3.048 0.818
192 H CYS 26 H CYS 26 -23.219 1.877 -1.337
193 HA CYS 26 HA CYS 26 -21.845 0.560 0.695
194 1HB CYS 26 2HB CYS 26 -21.618 0.105 -2.293
195 2HB CYS 26 1HB CYS 26 -21.090 -1.024 -1.051
196 H LYS 27 H LYS 27 -20.708 2.555 -1.961
197 HA LYS 27 HA LYS 27 -17.958 2.136 -1.698
198 1HB LYS 27 2HB LYS 27 -19.279 3.376 -3.534
199 2HB LYS 27 1HB LYS 27 -19.136 4.782 -2.490
200 1HG LYS 27 2HG LYS 27 -17.110 5.192 -3.335
201 2HG LYS 27 1HG LYS 27 -16.544 3.652 -2.691
202 1HD LYS 27 2HD LYS 27 -16.061 3.542 -4.977
203 2HD LYS 27 1HD LYS 27 -17.551 2.612 -4.808
204 1HE LYS 27 2HE LYS 27 -18.798 4.709 -5.417
205 2HE LYS 27 1HE LYS 27 -17.239 5.432 -5.814
206 1HZ LYS 27 3HZ LYS 27 -17.422 2.943 -7.089
207 2HZ LYS 27 2HZ LYS 27 -18.841 3.803 -7.418
208 3HZ LYS 27 1HZ LYS 27 -17.336 4.480 -7.792
209 H LEU 28 H LEU 28 -19.801 3.069 0.768
210 HA LEU 28 HA LEU 28 -17.597 4.264 2.162
211 1HB LEU 28 2HB LEU 28 -18.794 6.117 0.791
212 2HB LEU 28 1HB LEU 28 -20.040 5.994 2.018
213 HG LEU 28 HG LEU 28 -17.237 6.375 2.956
214 1HD1 LEU 28 3HD1 LEU 28 -18.824 8.421 1.456
215 2HD1 LEU 28 2HD1 LEU 28 -17.734 8.905 2.757
216 3HD1 LEU 28 1HD1 LEU 28 -17.104 8.043 1.354
217 1HD2 LEU 28 3HD2 LEU 28 -19.494 6.159 4.298
218 2HD2 LEU 28 2HD2 LEU 28 -18.222 7.263 4.820
219 3HD2 LEU 28 1HD2 LEU 28 -19.613 7.880 3.928
220 H ASP 29 H ASP 29 -20.876 3.118 2.069
221 HA ASP 29 HA ASP 29 -21.426 3.362 4.850
222 1HB ASP 29 2HB ASP 29 -22.650 1.774 2.608
223 2HB ASP 29 1HB ASP 29 -23.170 1.531 4.273
224 H LYS 30 H LYS 30 -20.451 0.602 2.823
225 HA LYS 30 HA LYS 30 -19.605 -0.820 5.264
226 1HB LYS 30 2HB LYS 30 -20.106 -2.040 2.552
227 2HB LYS 30 1HB LYS 30 -19.921 -2.875 4.088
228 1HG LYS 30 2HG LYS 30 -22.153 -0.926 3.733
229 2HG LYS 30 1HG LYS 30 -22.281 -2.547 3.046
230 1HD LYS 30 2HD LYS 30 -21.432 -2.237 5.888
231 2HD LYS 30 1HD LYS 30 -23.138 -2.050 5.474
232 1HE LYS 30 2HE LYS 30 -21.407 -4.445 4.867
233 2HE LYS 30 1HE LYS 30 -22.644 -4.348 6.121
234 1HZ LYS 30 2HZ LYS 30 -23.613 -3.646 3.510
235 2HZ LYS 30 1HZ LYS 30 -23.032 -5.232 3.590
236 3HZ LYS 30 3HZ LYS 30 -24.253 -4.726 4.645
237 H HIS 31 H HIS 31 -18.363 1.036 2.892
238 HA HIS 31 HA HIS 31 -16.253 1.423 2.136
239 1HB HIS 31 2HB HIS 31 -15.050 -0.779 3.746
240 2HB HIS 31 1HB HIS 31 -14.487 0.870 3.494
241 HD1 HIS 31 HD1 HIS 31 -14.739 -0.592 6.297
242 HD2 HIS 31 HD2 HIS 31 -17.422 2.156 4.710
243 HE1 HIS 31 HE1 HIS 31 -15.952 0.383 8.273
244 HE2 HIS 31 HE2 HIS 31 -17.532 2.083 7.293
245 H ALA 32 H ALA 32 -17.913 -0.256 0.675
246 HA ALA 32 HA ALA 32 -16.384 -2.571 -0.161
247 1HB ALA 32 1HB ALA 32 -18.983 -2.281 -0.019
248 2HB ALA 32 3HB ALA 32 -18.789 -1.608 -1.638
249 3HB ALA 32 2HB ALA 32 -18.258 -3.254 -1.298
250 H ARG 33 H ARG 33 -16.502 -2.823 -2.745
251 HA ARG 33 HA ARG 33 -14.872 -0.617 -3.764
252 1HB ARG 33 2HB ARG 33 -15.023 -3.515 -4.248
253 2HB ARG 33 1HB ARG 33 -14.824 -2.567 -5.713
254 1HG ARG 33 2HG ARG 33 -12.671 -3.219 -4.899
255 2HG ARG 33 1HG ARG 33 -12.857 -1.476 -4.690
256 1HD ARG 33 2HD ARG 33 -13.012 -1.628 -2.403
257 2HD ARG 33 1HD ARG 33 -13.610 -3.286 -2.447
258 HE ARG 33 HE ARG 33 -10.849 -2.823 -3.265
259 1HH1 ARG 33 1HH2 ARG 33 -13.101 -3.932 -0.855
260 2HH1 ARG 33 2HH2 ARG 33 -11.911 -4.818 0.040
261 1HH2 ARG 33 2HH1 ARG 33 -9.269 -3.983 -2.095
262 2HH2 ARG 33 1HH1 ARG 33 -9.732 -4.847 -0.666
263 H SER 34 H SER 34 -18.020 -1.726 -3.848
264 HA SER 34 HA SER 34 -19.010 0.250 -5.496
265 1HB SER 34 2HB SER 34 -19.633 -1.724 -7.362
266 2HB SER 34 1HB SER 34 -18.435 -0.448 -7.573
267 HG SER 34 HG SER 34 -16.856 -1.837 -7.207
268 H GLY 35 H GLY 35 -21.246 -0.861 -6.618
269 1HA GLY 35 2HA GLY 35 -22.534 -2.875 -5.192
270 2HA GLY 35 1HA GLY 35 -22.831 -1.375 -4.328
271 H GLU 36 H GLU 36 -24.944 -2.695 -5.244
272 HA GLU 36 HA GLU 36 -26.299 -0.824 -6.791
273 1HB GLU 36 2HB GLU 36 -24.727 -2.611 -8.348
274 2HB GLU 36 1HB GLU 36 -26.391 -3.119 -8.563
275 1HG GLU 36 2HG GLU 36 -26.727 -1.482 -10.038
276 2HG GLU 36 1HG GLU 36 -26.273 -0.267 -8.855
277 H CYS 37 H CYS 37 -28.534 -1.378 -7.058
278 HA CYS 37 HA CYS 37 -29.367 -3.363 -5.114
279 1HB CYS 37 2HB CYS 37 -30.460 -0.904 -6.193
280 2HB CYS 37 1HB CYS 37 -31.662 -2.190 -6.216
281 H PHE 38 H PHE 38 -30.441 -5.230 -5.549
282 HA PHE 38 HA PHE 38 -31.348 -5.763 -8.271
283 1HB PHE 38 2HB PHE 38 -29.276 -7.444 -6.848
284 2HB PHE 38 1HB PHE 38 -30.130 -7.949 -8.302
285 HD1 PHE 38 HD1 PHE 38 -30.044 -6.046 -10.223
286 HD2 PHE 38 HD2 PHE 38 -27.158 -6.638 -7.151
287 HE1 PHE 38 HE1 PHE 38 -28.343 -4.938 -11.613
288 HE2 PHE 38 HE2 PHE 38 -25.452 -5.530 -8.533
289 HZ PHE 38 HZ PHE 38 -26.044 -4.676 -10.766
290 H TYR 39 H TYR 39 -32.628 -7.738 -8.439
291 HA TYR 39 HA TYR 39 -34.426 -8.002 -6.252
292 1HB TYR 39 2HB TYR 39 -34.135 -9.376 -8.904
293 2HB TYR 39 1HB TYR 39 -35.289 -9.963 -7.710
294 HD1 TYR 39 HD2 TYR 39 -34.389 -7.065 -9.823
295 HD2 TYR 39 HD1 TYR 39 -37.334 -8.847 -7.331
296 HE1 TYR 39 HE2 TYR 39 -36.030 -5.399 -10.587
297 HE2 TYR 39 HE1 TYR 39 -38.989 -7.189 -8.087
298 HH TYR 39 HH TYR 39 -39.375 -5.430 -9.380
299 H ASP 40 H ASP 40 -35.017 -10.699 -6.051
300 HA ASP 40 HA ASP 40 -32.629 -12.197 -5.533
301 1HB ASP 40 2HB ASP 40 -32.493 -12.137 -3.241
302 2HB ASP 40 1HB ASP 40 -33.016 -10.490 -3.574
303 H GLU 41 H GLU 41 -32.962 -14.287 -4.764
304 HA GLU 41 HA GLU 41 -34.076 -16.226 -5.572
305 1HB GLU 41 2HB GLU 41 -35.289 -15.529 -2.906
306 2HB GLU 41 1HB GLU 41 -35.050 -17.142 -3.566
307 1HG GLU 41 2HG GLU 41 -32.852 -15.207 -2.871
308 2HG GLU 41 1HG GLU 41 -33.383 -16.556 -1.867
309 H LYS 42 H LYS 42 -36.658 -14.432 -3.890
310 HA LYS 42 HA LYS 42 -38.596 -15.644 -5.670
311 1HB LYS 42 2HB LYS 42 -39.067 -15.590 -3.298
312 2HB LYS 42 1HB LYS 42 -38.917 -13.840 -3.273
313 1HG LYS 42 2HG LYS 42 -41.043 -13.549 -3.922
314 2HG LYS 42 1HG LYS 42 -40.888 -14.737 -5.216
315 1HD LYS 42 2HD LYS 42 -41.209 -15.535 -2.333
316 2HD LYS 42 1HD LYS 42 -42.591 -15.227 -3.384
317 1HE LYS 42 2HE LYS 42 -42.255 -17.116 -4.607
318 2HE LYS 42 1HE LYS 42 -40.503 -17.057 -4.420
319 1HZ LYS 42 2HZ LYS 42 -42.331 -17.774 -2.201
320 2HZ LYS 42 1HZ LYS 42 -41.660 -18.924 -3.246
321 3HZ LYS 42 3HZ LYS 42 -40.653 -17.977 -2.269
322 H ARG 43 H ARG 43 -37.913 -12.280 -4.655
323 HA ARG 43 HA ARG 43 -37.771 -11.054 -7.045
324 1HB ARG 43 2HB ARG 43 -40.525 -11.956 -6.569
325 2HB ARG 43 1HB ARG 43 -40.443 -10.232 -6.856
326 1HG ARG 43 2HG ARG 43 -38.889 -11.222 -8.905
327 2HG ARG 43 1HG ARG 43 -40.123 -12.464 -8.730
328 1HD ARG 43 2HD ARG 43 -41.148 -11.062 -10.215
329 2HD ARG 43 1HD ARG 43 -41.746 -10.398 -8.697
330 HE ARG 43 HE ARG 43 -39.611 -8.887 -9.051
331 1HH1 ARG 43 1HH2 ARG 43 -42.007 -9.905 -11.366
332 2HH1 ARG 43 2HH2 ARG 43 -41.816 -8.507 -12.371
333 1HH2 ARG 43 2HH1 ARG 43 -39.350 -7.045 -10.371
334 2HH2 ARG 43 1HH1 ARG 43 -40.305 -6.883 -11.807
335 H ASN 44 H ASN 44 -37.112 -10.820 -4.233
336 HA ASN 44 HA ASN 44 -38.340 -8.283 -3.454
337 1HB ASN 44 2HB ASN 44 -36.542 -10.226 -2.013
338 2HB ASN 44 1HB ASN 44 -36.875 -8.621 -1.377
339 1HD2 ASN 44 2HD2 ASN 44 -40.307 -10.712 -1.872
340 2HD2 ASN 44 1HD2 ASN 44 -39.257 -10.354 -3.196
341 H LEU 45 H LEU 45 -37.308 -6.366 -3.489
342 HA LEU 45 HA LEU 45 -34.779 -6.236 -4.905
343 1HB LEU 45 2HB LEU 45 -36.835 -4.741 -5.281
344 2HB LEU 45 1HB LEU 45 -36.339 -3.906 -3.824
345 HG LEU 45 HG LEU 45 -35.628 -2.805 -5.946
346 1HD1 LEU 45 3HD1 LEU 45 -34.416 -2.699 -3.657
347 2HD1 LEU 45 2HD1 LEU 45 -33.169 -3.640 -4.473
348 3HD1 LEU 45 1HD1 LEU 45 -33.628 -2.055 -5.095
349 1HD2 LEU 45 3HD2 LEU 45 -35.094 -5.145 -6.972
350 2HD2 LEU 45 2HD2 LEU 45 -34.138 -3.734 -7.427
351 3HD2 LEU 45 1HD2 LEU 45 -33.509 -4.882 -6.244
352 H GLN 46 H GLN 46 -32.844 -5.817 -4.018
353 HA GLN 46 HA GLN 46 -32.716 -4.762 -1.286
354 1HB GLN 46 2HB GLN 46 -31.349 -7.309 -2.170
355 2HB GLN 46 1HB GLN 46 -31.107 -6.510 -0.622
356 1HG GLN 46 2HG GLN 46 -33.386 -6.926 0.011
357 2HG GLN 46 1HG GLN 46 -33.750 -7.580 -1.585
358 1HE2 GLN 46 2HE2 GLN 46 -31.534 -9.802 1.051
359 2HE2 GLN 46 1HE2 GLN 46 -31.522 -8.076 1.136
360 H CYS 47 H CYS 47 -30.473 -4.232 -0.630
361 HA CYS 47 HA CYS 47 -29.076 -2.974 -2.870
362 1HB CYS 47 2HB CYS 47 -29.733 -2.168 -0.232
363 2HB CYS 47 1HB CYS 47 -27.977 -2.257 -0.306
364 H ILE 48 H ILE 48 -27.624 -4.343 -3.762
365 HA ILE 48 HA ILE 48 -25.991 -6.044 -2.040
366 HB ILE 48 HB ILE 48 -25.714 -5.996 -5.012
367 1HG1 ILE 48 2HG1 ILE 48 -28.074 -6.101 -4.853
368 2HG1 ILE 48 1HG1 ILE 48 -27.550 -7.771 -5.026
369 1HG2 ILE 48 3HG2 ILE 48 -24.308 -7.364 -3.361
370 2HG2 ILE 48 2HG2 ILE 48 -25.749 -8.364 -3.177
371 3HG2 ILE 48 1HG2 ILE 48 -24.988 -8.197 -4.759
372 1HD1 ILE 48 3HD1 ILE 48 -27.606 -7.594 -2.359
373 2HD1 ILE 48 2HD1 ILE 48 -28.850 -6.414 -2.764
374 3HD1 ILE 48 1HD1 ILE 48 -28.992 -8.078 -3.333
375 H CYS 49 H CYS 49 -24.075 -5.422 -1.344
376 HA CYS 49 HA CYS 49 -22.674 -3.226 -2.683
377 1HB CYS 49 2HB CYS 49 -22.196 -4.585 -0.021
378 2HB CYS 49 1HB CYS 49 -21.204 -3.280 -0.661
379 H ASP 50 H ASP 50 -21.052 -3.611 -4.041
380 HA ASP 50 HA ASP 50 -19.929 -6.306 -4.192
381 1HB ASP 50 2HB ASP 50 -20.670 -5.490 -6.303
382 2HB ASP 50 1HB ASP 50 -19.849 -3.948 -6.071
383 H TYR 51 H TYR 51 -17.881 -6.821 -3.810
384 HA TYR 51 HA TYR 51 -16.126 -4.713 -2.737
385 1HB TYR 51 2HB TYR 51 -16.355 -7.643 -2.155
386 2HB TYR 51 1HB TYR 51 -14.984 -6.685 -1.615
387 HD1 TYR 51 HD2 TYR 51 -15.293 -4.942 0.095
388 HD2 TYR 51 HD1 TYR 51 -18.507 -7.451 -1.113
389 HE1 TYR 51 HE2 TYR 51 -16.560 -4.270 2.093
390 HE2 TYR 51 HE1 TYR 51 -19.784 -6.790 0.879
391 HH TYR 51 HH TYR 51 -18.581 -5.529 3.501
392 H CYS 52 H CYS 52 -16.526 -6.784 -5.373
393 HA CYS 52 HA CYS 52 -13.699 -6.435 -6.124
394 1HB CYS 52 2HB CYS 52 -15.185 -8.947 -6.831
395 2HB CYS 52 1HB CYS 52 -13.450 -8.653 -6.833
396 H GLU 53 H GLU 53 -16.979 -7.196 -7.258
397 HA GLU 53 HA GLU 53 -18.104 -6.333 -9.074
398 1HB GLU 53 2HB GLU 53 -16.315 -4.424 -8.853
399 2HB GLU 53 1HB GLU 53 -15.589 -5.208 -10.250
400 1HG GLU 53 2HG GLU 53 -17.000 -3.416 -10.981
401 2HG GLU 53 1HG GLU 53 -17.704 -4.956 -11.468
402 H TYR 54 HN TYR 54 -14.807 -7.091 -10.183
403 HA TYR 54 HA TYR 54 -15.252 -9.602 -11.213
404 1HB TYR 54 2HB TYR 54 -16.621 -7.705 -12.773
405 2HB TYR 54 1HB TYR 54 -15.180 -8.091 -13.701
406 HD1 TYR 54 HD2 TYR 54 -17.368 -10.214 -11.529
407 HD2 TYR 54 HD1 TYR 54 -15.795 -9.492 -15.415
408 HE1 TYR 54 HE2 TYR 54 -18.435 -12.277 -12.338
409 HE2 TYR 54 HE1 TYR 54 -16.859 -11.552 -16.236
410 HH TYR 54 HH TYR 54 -17.632 -13.845 -14.993
No H/Q in entry = 410
Start of MODEL 18
1 HN PCA 1 HN PCA 1 -16.470 -14.906 1.771
2 HA PCA 1 HA PCA 1 -14.024 -15.029 1.014
3 1HB PCA 1 1HB PCA 1 -12.779 -16.669 1.952
4 2HB PCA 1 2HB PCA 1 -13.850 -17.923 1.283
5 1HG PCA 1 1HG PCA 1 -13.792 -16.815 3.982
6 2HG PCA 1 2HG PCA 1 -14.766 -18.162 3.362
7 H ASP 2 H ASP 2 -13.258 -16.422 -0.925
8 HA ASP 2 HA ASP 2 -13.705 -16.813 -3.138
9 1HB ASP 2 2HB ASP 2 -13.995 -19.036 -1.950
10 2HB ASP 2 1HB ASP 2 -15.732 -18.757 -2.030
11 H LYS 3 H LYS 3 -15.177 -14.621 -2.128
12 HA LYS 3 HA LYS 3 -17.099 -14.315 -4.185
13 1HB LYS 3 2HB LYS 3 -18.173 -15.703 -2.139
14 2HB LYS 3 1HB LYS 3 -18.476 -14.069 -1.564
15 1HG LYS 3 2HG LYS 3 -19.752 -13.543 -3.505
16 2HG LYS 3 1HG LYS 3 -19.282 -15.052 -4.289
17 1HD LYS 3 2HD LYS 3 -20.487 -16.323 -2.596
18 2HD LYS 3 1HD LYS 3 -20.920 -14.829 -1.763
19 1HE LYS 3 2HE LYS 3 -21.923 -14.180 -4.091
20 2HE LYS 3 1HE LYS 3 -21.925 -15.924 -4.352
21 1HZ LYS 3 1HZ LYS 3 -23.009 -15.106 -1.807
22 2HZ LYS 3 3HZ LYS 3 -23.891 -14.546 -3.138
23 3HZ LYS 3 2HZ LYS 3 -23.619 -16.204 -2.941
24 H CYS 4 H CYS 4 -18.270 -12.180 -3.960
25 HA CYS 4 HA CYS 4 -16.921 -10.282 -2.206
26 1HB CYS 4 2HB CYS 4 -16.810 -10.220 -5.211
27 2HB CYS 4 1HB CYS 4 -16.573 -8.765 -4.245
28 H LYS 5 H LYS 5 -19.694 -11.414 -3.581
29 HA LYS 5 HA LYS 5 -21.092 -8.833 -3.526
30 1HB LYS 5 2HB LYS 5 -22.174 -11.524 -4.374
31 2HB LYS 5 1HB LYS 5 -22.901 -9.947 -4.658
32 1HG LYS 5 2HG LYS 5 -20.181 -10.481 -5.741
33 2HG LYS 5 1HG LYS 5 -21.577 -11.199 -6.548
34 1HD LYS 5 2HD LYS 5 -21.733 -8.312 -5.866
35 2HD LYS 5 1HD LYS 5 -20.645 -8.774 -7.175
36 1HE LYS 5 2HE LYS 5 -23.178 -8.198 -7.631
37 2HE LYS 5 1HE LYS 5 -22.347 -9.463 -8.536
38 1HZ LYS 5 1HZ LYS 5 -23.368 -10.624 -6.221
39 2HZ LYS 5 3HZ LYS 5 -24.612 -9.689 -6.888
40 3HZ LYS 5 2HZ LYS 5 -23.860 -10.887 -7.818
41 H LYS 6 H LYS 6 -22.081 -8.260 -1.675
42 HA LYS 6 HA LYS 6 -23.503 -10.294 -0.152
43 1HB LYS 6 2HB LYS 6 -21.636 -8.519 1.375
44 2HB LYS 6 1HB LYS 6 -22.377 -10.034 1.869
45 1HG LYS 6 2HG LYS 6 -20.940 -11.220 0.247
46 2HG LYS 6 1HG LYS 6 -20.148 -9.684 -0.122
47 1HD LYS 6 2HD LYS 6 -19.579 -9.503 2.312
48 2HD LYS 6 1HD LYS 6 -20.183 -11.149 2.512
49 1HE LYS 6 2HE LYS 6 -17.919 -10.285 0.715
50 2HE LYS 6 1HE LYS 6 -17.761 -11.137 2.252
51 1HZ LYS 6 1HZ LYS 6 -19.437 -12.344 0.178
52 2HZ LYS 6 3HZ LYS 6 -17.758 -12.411 -0.027
53 3HZ LYS 6 2HZ LYS 6 -18.469 -13.086 1.350
54 H VAL 7 H VAL 7 -25.459 -9.504 0.143
55 HA VAL 7 HA VAL 7 -26.007 -6.712 0.041
56 HB VAL 7 HB VAL 7 -28.183 -7.284 -0.198
57 1HG1 VAL 7 1HG1 VAL 7 -26.760 -9.129 -1.359
58 2HG1 VAL 7 3HG1 VAL 7 -27.463 -10.177 -0.126
59 3HG1 VAL 7 2HG1 VAL 7 -28.512 -9.304 -1.243
60 1HG2 VAL 7 1HG2 VAL 7 -27.850 -9.209 2.103
61 2HG2 VAL 7 3HG2 VAL 7 -28.596 -7.610 2.148
62 3HG2 VAL 7 2HG2 VAL 7 -29.369 -8.919 1.256
63 H TYR 8 H TYR 8 -26.750 -5.328 1.626
64 HA TYR 8 HA TYR 8 -25.837 -6.170 4.311
65 1HB TYR 8 2HB TYR 8 -25.714 -3.750 4.846
66 2HB TYR 8 1HB TYR 8 -24.643 -4.253 3.546
67 HD1 TYR 8 HD2 TYR 8 -28.283 -3.321 3.430
68 HD2 TYR 8 HD1 TYR 8 -24.315 -2.397 2.246
69 HE1 TYR 8 HE2 TYR 8 -29.144 -1.617 1.999
70 HE2 TYR 8 HE1 TYR 8 -25.178 -0.613 0.793
71 HH TYR 8 HH TYR 8 -26.998 0.367 -0.040
72 H GLU 9 H GLU 9 -28.569 -5.772 2.556
73 HA GLU 9 HA GLU 9 -30.741 -5.164 3.016
74 1HB GLU 9 2HB GLU 9 -30.331 -7.608 3.625
75 2HB GLU 9 1HB GLU 9 -30.374 -7.078 5.299
76 1HG GLU 9 2HG GLU 9 -32.647 -6.028 3.877
77 2HG GLU 9 1HG GLU 9 -32.557 -7.776 3.667
78 H ASN 10 H ASN 10 -31.193 -3.205 3.719
79 HA ASN 10 HA ASN 10 -32.097 -2.633 6.228
80 1HB ASN 10 2HB ASN 10 -30.158 -1.052 6.980
81 2HB ASN 10 1HB ASN 10 -30.076 -2.770 7.346
82 1HD2 ASN 10 2HD2 ASN 10 -27.699 -1.340 4.331
83 2HD2 ASN 10 1HD2 ASN 10 -29.280 -0.693 4.572
84 H TYR 11 H TYR 11 -30.181 -1.187 3.617
85 HA TYR 11 HA TYR 11 -31.041 1.433 3.786
86 1HB TYR 11 2HB TYR 11 -29.270 0.575 2.264
87 2HB TYR 11 1HB TYR 11 -30.530 -0.115 1.242
88 HD1 TYR 11 HD2 TYR 11 -31.916 1.289 -0.138
89 HD2 TYR 11 HD1 TYR 11 -28.833 2.936 2.282
90 HE1 TYR 11 HE2 TYR 11 -32.039 3.394 -1.419
91 HE2 TYR 11 HE1 TYR 11 -28.928 5.034 1.007
92 HH TYR 11 HH TYR 11 -29.758 5.602 -1.534
93 HA PRO 12 HA PRO 12 -35.436 1.580 3.073
94 1HB PRO 12 2HB PRO 12 -34.633 3.595 1.005
95 2HB PRO 12 1HB PRO 12 -35.924 3.677 2.208
96 1HG PRO 12 2HG PRO 12 -33.596 4.953 2.565
97 2HG PRO 12 1HG PRO 12 -34.485 4.235 3.918
98 1HD PRO 12 2HD PRO 12 -31.964 3.362 2.654
99 2HD PRO 12 1HD PRO 12 -32.598 3.008 4.274
100 H VAL 13 H VAL 13 -35.696 -0.460 2.110
101 HA VAL 13 HA VAL 13 -34.885 -1.260 -0.410
102 HB VAL 13 HB VAL 13 -36.020 -2.645 1.432
103 1HG1 VAL 13 1HG1 VAL 13 -38.069 -1.220 1.486
104 2HG1 VAL 13 3HG1 VAL 13 -38.509 -1.883 -0.089
105 3HG1 VAL 13 2HG1 VAL 13 -38.385 -2.947 1.313
106 1HG2 VAL 13 1HG2 VAL 13 -36.272 -2.947 -1.511
107 2HG2 VAL 13 3HG2 VAL 13 -35.427 -3.956 -0.338
108 3HG2 VAL 13 2HG2 VAL 13 -37.179 -4.072 -0.500
109 H SER 14 H SER 14 -36.946 1.257 0.294
110 HA SER 14 HA SER 14 -38.880 1.051 -1.754
111 1HB SER 14 2HB SER 14 -39.309 3.409 -1.359
112 2HB SER 14 1HB SER 14 -39.066 2.596 0.186
113 HG SER 14 HG SER 14 -37.922 4.642 -0.111
114 H LYS 15 H LYS 15 -36.672 3.778 -1.811
115 HA LYS 15 HA LYS 15 -36.553 3.818 -4.635
116 1HB LYS 15 2HB LYS 15 -36.250 5.796 -3.120
117 2HB LYS 15 1HB LYS 15 -34.657 5.173 -2.712
118 1HG LYS 15 2HG LYS 15 -34.117 6.669 -4.350
119 2HG LYS 15 1HG LYS 15 -34.320 5.203 -5.311
120 1HD LYS 15 2HD LYS 15 -36.515 5.869 -5.989
121 2HD LYS 15 1HD LYS 15 -36.509 7.229 -4.863
122 1HE LYS 15 2HE LYS 15 -34.545 8.140 -6.129
123 2HE LYS 15 1HE LYS 15 -34.821 6.879 -7.331
124 1HZ LYS 15 1HZ LYS 15 -36.825 8.919 -6.535
125 2HZ LYS 15 3HZ LYS 15 -35.854 9.011 -7.918
126 3HZ LYS 15 2HZ LYS 15 -36.992 7.769 -7.765
127 H CYS 16 H CYS 16 -35.019 3.114 -6.067
128 HA CYS 16 HA CYS 16 -32.440 2.227 -5.357
129 1HB CYS 16 2HB CYS 16 -34.560 0.330 -4.919
130 2HB CYS 16 1HB CYS 16 -33.496 -0.272 -6.184
131 H GLN 17 H GLN 17 -34.117 3.651 -7.409
132 HA GLN 17 HA GLN 17 -33.159 2.247 -9.824
133 1HB GLN 17 2HB GLN 17 -35.312 4.357 -9.733
134 2HB GLN 17 1HB GLN 17 -34.933 3.256 -11.051
135 1HG GLN 17 2HG GLN 17 -35.867 2.253 -8.388
136 2HG GLN 17 1HG GLN 17 -37.000 2.772 -9.634
137 1HE2 GLN 17 2HE2 GLN 17 -35.827 -0.930 -9.690
138 2HE2 GLN 17 1HE2 GLN 17 -35.944 0.126 -8.329
139 H LEU 18 H LEU 18 -31.165 3.528 -8.754
140 HA LEU 18 HA LEU 18 -30.486 5.553 -10.611
141 1HB LEU 18 2HB LEU 18 -31.625 6.369 -8.057
142 2HB LEU 18 1HB LEU 18 -30.023 7.044 -8.301
143 HG LEU 18 HG LEU 18 -32.108 7.247 -10.433
144 1HD1 LEU 18 1HD1 LEU 18 -31.854 8.871 -7.934
145 2HD1 LEU 18 3HD1 LEU 18 -32.449 9.602 -9.424
146 3HD1 LEU 18 2HD1 LEU 18 -33.305 8.235 -8.710
147 1HD2 LEU 18 1HD2 LEU 18 -29.640 8.809 -9.710
148 2HD2 LEU 18 3HD2 LEU 18 -29.904 7.810 -11.139
149 3HD2 LEU 18 2HD2 LEU 18 -30.798 9.318 -10.938
150 H ALA 19 H ALA 19 -28.384 5.337 -10.970
151 HA ALA 19 HA ALA 19 -26.728 3.607 -9.508
152 1HB ALA 19 1HB ALA 19 -26.494 4.331 -11.932
153 2HB ALA 19 3HB ALA 19 -25.716 5.787 -11.313
154 3HB ALA 19 2HB ALA 19 -25.003 4.205 -10.999
155 H ASN 20 H ASN 20 -27.594 5.009 -7.475
156 HA ASN 20 HA ASN 20 -25.213 6.198 -6.395
157 1HB ASN 20 2HB ASN 20 -26.394 8.077 -7.645
158 2HB ASN 20 1HB ASN 20 -27.684 7.934 -6.453
159 1HD2 ASN 20 2HD2 ASN 20 -24.074 9.542 -5.438
160 2HD2 ASN 20 1HD2 ASN 20 -24.249 8.573 -6.858
161 H GLN 21 H GLN 21 -28.658 6.604 -5.603
162 HA GLN 21 HA GLN 21 -28.423 6.132 -2.890
163 1HB GLN 21 2HB GLN 21 -30.667 6.000 -4.846
164 2HB GLN 21 1HB GLN 21 -30.932 5.293 -3.259
165 1HG GLN 21 2HG GLN 21 -31.727 7.547 -3.249
166 2HG GLN 21 1HG GLN 21 -30.291 7.446 -2.234
167 1HE2 GLN 21 2HE2 GLN 21 -28.254 9.180 -4.685
168 2HE2 GLN 21 1HE2 GLN 21 -28.214 7.733 -3.741
169 H CYS 22 H CYS 22 -27.072 4.463 -2.503
170 HA CYS 22 HA CYS 22 -27.265 2.236 -1.513
171 1HB CYS 22 2HB CYS 22 -29.272 1.556 -2.775
172 2HB CYS 22 1HB CYS 22 -28.312 1.473 -4.254
173 H ASN 23 H ASN 23 -26.459 2.601 -4.979
174 HA ASN 23 HA ASN 23 -24.168 1.008 -4.943
175 1HB ASN 23 2HB ASN 23 -25.455 2.194 -6.925
176 2HB ASN 23 1HB ASN 23 -24.241 3.448 -6.677
177 1HD2 ASN 23 2HD2 ASN 23 -21.536 1.133 -7.461
178 2HD2 ASN 23 1HD2 ASN 23 -21.987 2.188 -6.169
179 H TYR 24 H TYR 24 -24.425 4.548 -4.665
180 HA TYR 24 HA TYR 24 -21.745 5.095 -4.169
181 1HB TYR 24 2HB TYR 24 -22.860 7.060 -4.499
182 2HB TYR 24 1HB TYR 24 -24.321 6.484 -3.711
183 HD1 TYR 24 HD2 TYR 24 -20.863 6.745 -2.352
184 HD2 TYR 24 HD1 TYR 24 -24.869 8.165 -2.196
185 HE1 TYR 24 HE2 TYR 24 -20.310 8.070 -0.357
186 HE2 TYR 24 HE1 TYR 24 -24.327 9.496 -0.202
187 HH TYR 24 HH TYR 24 -21.064 9.895 0.909
188 H ASP 25 H ASP 25 -24.369 4.414 -1.862
189 HA ASP 25 HA ASP 25 -22.943 4.691 0.502
190 1HB ASP 25 2HB ASP 25 -24.894 2.437 0.304
191 2HB ASP 25 1HB ASP 25 -24.739 3.682 1.542
192 H CYS 26 H CYS 26 -23.366 1.736 -1.471
193 HA CYS 26 HA CYS 26 -21.751 0.060 0.083
194 1HB CYS 26 2HB CYS 26 -22.448 0.099 -2.847
195 2HB CYS 26 1HB CYS 26 -21.303 -1.081 -2.221
196 H LYS 27 H LYS 27 -21.008 2.256 -2.574
197 HA LYS 27 HA LYS 27 -18.248 1.783 -2.771
198 1HB LYS 27 2HB LYS 27 -19.890 3.162 -4.282
199 2HB LYS 27 1HB LYS 27 -19.404 4.502 -3.253
200 1HG LYS 27 2HG LYS 27 -17.082 4.169 -3.863
201 2HG LYS 27 1HG LYS 27 -17.522 2.765 -4.837
202 1HD LYS 27 2HD LYS 27 -18.711 4.106 -6.392
203 2HD LYS 27 1HD LYS 27 -18.637 5.516 -5.332
204 1HE LYS 27 2HE LYS 27 -17.030 5.436 -7.322
205 2HE LYS 27 1HE LYS 27 -16.361 5.849 -5.744
206 1HZ LYS 27 2HZ LYS 27 -16.299 3.045 -6.149
207 2HZ LYS 27 1HZ LYS 27 -15.527 3.831 -7.431
208 3HZ LYS 27 3HZ LYS 27 -15.017 4.105 -5.841
209 H LEU 28 H LEU 28 -19.620 2.474 -0.034
210 HA LEU 28 HA LEU 28 -17.305 3.698 1.110
211 1HB LEU 28 2HB LEU 28 -18.950 5.534 0.127
212 2HB LEU 28 1HB LEU 28 -19.810 5.249 1.620
213 HG LEU 28 HG LEU 28 -18.404 7.132 1.971
214 1HD1 LEU 28 3HD1 LEU 28 -17.237 4.658 3.218
215 2HD1 LEU 28 2HD1 LEU 28 -16.772 6.293 3.680
216 3HD1 LEU 28 1HD1 LEU 28 -18.437 5.756 3.899
217 1HD2 LEU 28 1HD2 LEU 28 -16.892 6.528 0.019
218 2HD2 LEU 28 3HD2 LEU 28 -16.132 7.287 1.418
219 3HD2 LEU 28 2HD2 LEU 28 -15.984 5.549 1.171
220 H ASP 29 H ASP 29 -19.582 4.639 3.192
221 HA ASP 29 HA ASP 29 -20.085 3.809 5.268
222 1HB ASP 29 2HB ASP 29 -21.507 2.261 3.193
223 2HB ASP 29 1HB ASP 29 -21.510 1.529 4.794
224 H LYS 30 H LYS 30 -19.802 0.639 3.715
225 HA LYS 30 HA LYS 30 -17.988 -0.190 5.854
226 1HB LYS 30 2HB LYS 30 -19.160 -1.991 3.751
227 2HB LYS 30 1HB LYS 30 -18.585 -2.414 5.358
228 1HG LYS 30 2HG LYS 30 -20.472 -1.192 6.340
229 2HG LYS 30 1HG LYS 30 -21.057 -0.819 4.718
230 1HD LYS 30 2HD LYS 30 -20.920 -3.418 4.406
231 2HD LYS 30 1HD LYS 30 -21.006 -3.426 6.169
232 1HE LYS 30 2HE LYS 30 -23.030 -2.504 4.172
233 2HE LYS 30 1HE LYS 30 -23.235 -3.577 5.555
234 1HZ LYS 30 3HZ LYS 30 -22.516 -0.752 5.972
235 2HZ LYS 30 2HZ LYS 30 -24.127 -1.179 5.681
236 3HZ LYS 30 1HZ LYS 30 -23.311 -1.816 7.020
237 H HIS 31 H HIS 31 -17.544 1.222 3.006
238 HA HIS 31 HA HIS 31 -15.715 1.484 1.678
239 1HB HIS 31 2HB HIS 31 -14.309 -0.712 3.176
240 2HB HIS 31 1HB HIS 31 -13.611 0.672 2.344
241 HD1 HIS 31 HD1 HIS 31 -13.057 -0.070 5.353
242 HD2 HIS 31 HD2 HIS 31 -15.753 2.794 4.016
243 HE1 HIS 31 HE1 HIS 31 -13.342 1.531 7.271
244 HE2 HIS 31 HE2 HIS 31 -14.904 3.307 6.405
245 H ALA 32 H ALA 32 -17.607 0.140 0.450
246 HA ALA 32 HA ALA 32 -16.577 -2.422 -0.492
247 1HB ALA 32 1HB ALA 32 -19.105 -1.646 -0.042
248 2HB ALA 32 3HB ALA 32 -18.984 -1.242 -1.754
249 3HB ALA 32 2HB ALA 32 -18.681 -2.893 -1.214
250 H ARG 33 H ARG 33 -16.944 -2.675 -3.049
251 HA ARG 33 HA ARG 33 -15.281 -0.576 -4.244
252 1HB ARG 33 2HB ARG 33 -14.918 -3.209 -4.342
253 2HB ARG 33 1HB ARG 33 -16.006 -3.078 -5.714
254 1HG ARG 33 2HG ARG 33 -13.658 -1.250 -5.613
255 2HG ARG 33 1HG ARG 33 -13.380 -2.949 -5.985
256 1HD ARG 33 2HD ARG 33 -14.584 -2.857 -7.951
257 2HD ARG 33 1HD ARG 33 -15.515 -1.450 -7.440
258 HE ARG 33 HE ARG 33 -13.887 -0.118 -8.331
259 1HH1 ARG 33 1HH2 ARG 33 -12.584 -3.304 -7.810
260 2HH1 ARG 33 2HH2 ARG 33 -11.066 -2.950 -8.566
261 1HH2 ARG 33 2HH1 ARG 33 -11.885 0.364 -9.322
262 2HH2 ARG 33 1HH1 ARG 33 -10.667 -0.863 -9.420
263 H SER 34 H SER 34 -18.448 -1.841 -4.219
264 HA SER 34 HA SER 34 -19.807 0.161 -5.344
265 1HB SER 34 2HB SER 34 -20.100 -0.833 -7.787
266 2HB SER 34 1HB SER 34 -18.799 0.298 -7.419
267 HG SER 34 HG SER 34 -18.380 -1.881 -8.537
268 H GLY 35 H GLY 35 -21.957 -0.284 -5.318
269 1HA GLY 35 2HA GLY 35 -22.741 -3.138 -5.251
270 2HA GLY 35 1HA GLY 35 -23.341 -1.986 -4.068
271 H GLU 36 H GLU 36 -25.353 -3.034 -5.034
272 HA GLU 36 HA GLU 36 -26.749 -1.110 -6.496
273 1HB GLU 36 2HB GLU 36 -25.241 -2.983 -8.113
274 2HB GLU 36 1HB GLU 36 -26.960 -3.133 -8.445
275 1HG GLU 36 2HG GLU 36 -27.131 -0.977 -9.243
276 2HG GLU 36 1HG GLU 36 -25.685 -0.435 -8.396
277 H CYS 37 H CYS 37 -28.954 -1.764 -6.972
278 HA CYS 37 HA CYS 37 -29.873 -3.721 -5.039
279 1HB CYS 37 2HB CYS 37 -31.641 -2.109 -6.863
280 2HB CYS 37 1HB CYS 37 -31.993 -2.730 -5.251
281 H PHE 38 H PHE 38 -30.868 -5.629 -5.498
282 HA PHE 38 HA PHE 38 -31.355 -6.313 -8.317
283 1HB PHE 38 2HB PHE 38 -29.590 -7.792 -6.380
284 2HB PHE 38 1HB PHE 38 -30.367 -8.629 -7.719
285 HD1 PHE 38 HD2 PHE 38 -27.974 -5.966 -6.842
286 HD2 PHE 38 HD1 PHE 38 -29.543 -8.445 -9.924
287 HE1 PHE 38 HE2 PHE 38 -26.140 -5.274 -8.327
288 HE2 PHE 38 HE1 PHE 38 -27.709 -7.759 -11.414
289 HZ PHE 38 HZ PHE 38 -26.005 -6.169 -10.617
290 H TYR 39 H TYR 39 -32.757 -8.151 -8.610
291 HA TYR 39 HA TYR 39 -34.740 -8.321 -6.481
292 1HB TYR 39 2HB TYR 39 -34.766 -9.073 -9.397
293 2HB TYR 39 1HB TYR 39 -36.061 -9.538 -8.299
294 HD1 TYR 39 HD1 TYR 39 -34.324 -6.653 -9.823
295 HD2 TYR 39 HD2 TYR 39 -37.716 -7.972 -7.626
296 HE1 TYR 39 HE1 TYR 39 -35.392 -4.466 -10.170
297 HE2 TYR 39 HE2 TYR 39 -38.797 -5.789 -7.966
298 HH TYR 39 HH TYR 39 -37.681 -3.249 -8.479
299 H ASP 40 H ASP 40 -35.915 -10.730 -6.927
300 HA ASP 40 HA ASP 40 -34.067 -12.896 -7.025
301 1HB ASP 40 2HB ASP 40 -34.192 -13.609 -4.699
302 2HB ASP 40 1HB ASP 40 -33.507 -11.989 -4.789
303 H GLU 41 H GLU 41 -35.334 -14.854 -5.709
304 HA GLU 41 HA GLU 41 -37.552 -15.389 -7.354
305 1HB GLU 41 2HB GLU 41 -36.570 -16.758 -4.850
306 2HB GLU 41 1HB GLU 41 -37.863 -17.383 -5.863
307 1HG GLU 41 2HG GLU 41 -36.328 -17.549 -7.745
308 2HG GLU 41 1HG GLU 41 -35.029 -16.893 -6.749
309 H LYS 42 H LYS 42 -37.691 -13.018 -5.387
310 HA LYS 42 HA LYS 42 -40.441 -13.580 -4.529
311 1HB LYS 42 2HB LYS 42 -38.288 -12.387 -2.778
312 2HB LYS 42 1HB LYS 42 -40.002 -12.353 -2.390
313 1HG LYS 42 2HG LYS 42 -38.596 -14.937 -2.941
314 2HG LYS 42 1HG LYS 42 -38.534 -14.184 -1.347
315 1HD LYS 42 2HD LYS 42 -40.661 -14.766 -0.862
316 2HD LYS 42 1HD LYS 42 -41.243 -14.331 -2.468
317 1HE LYS 42 2HE LYS 42 -41.544 -16.713 -2.026
318 2HE LYS 42 1HE LYS 42 -40.420 -16.443 -3.357
319 1HZ LYS 42 3HZ LYS 42 -38.656 -16.608 -1.486
320 2HZ LYS 42 2HZ LYS 42 -39.875 -17.419 -0.638
321 3HZ LYS 42 1HZ LYS 42 -39.332 -18.022 -2.122
322 H ARG 43 H ARG 43 -38.910 -11.952 -6.617
323 HA ARG 43 HA ARG 43 -39.049 -9.921 -7.643
324 1HB ARG 43 2HB ARG 43 -41.586 -10.843 -7.105
325 2HB ARG 43 1HB ARG 43 -41.649 -9.208 -6.471
326 1HG ARG 43 2HG ARG 43 -42.317 -8.856 -8.626
327 2HG ARG 43 1HG ARG 43 -40.580 -8.590 -8.780
328 1HD ARG 43 2HD ARG 43 -41.894 -11.250 -9.305
329 2HD ARG 43 1HD ARG 43 -41.647 -10.035 -10.556
330 HE ARG 43 HE ARG 43 -39.178 -10.329 -9.515
331 1HH1 ARG 43 1HH2 ARG 43 -41.542 -12.598 -10.693
332 2HH1 ARG 43 2HH2 ARG 43 -40.364 -13.748 -11.226
333 1HH2 ARG 43 2HH1 ARG 43 -37.617 -11.837 -10.214
334 2HH2 ARG 43 1HH1 ARG 43 -38.130 -13.317 -10.953
335 H ASN 44 H ASN 44 -38.309 -10.072 -4.601
336 HA ASN 44 HA ASN 44 -38.830 -7.294 -3.854
337 1HB ASN 44 2HB ASN 44 -37.694 -9.651 -2.358
338 2HB ASN 44 1HB ASN 44 -37.673 -8.018 -1.699
339 1HD2 ASN 44 2HD2 ASN 44 -40.662 -9.702 -0.402
340 2HD2 ASN 44 1HD2 ASN 44 -38.950 -9.912 -0.305
341 H LEU 45 H LEU 45 -37.264 -5.747 -3.608
342 HA LEU 45 HA LEU 45 -34.755 -6.233 -4.992
343 1HB LEU 45 2HB LEU 45 -36.260 -3.824 -4.073
344 2HB LEU 45 1HB LEU 45 -34.538 -3.667 -4.356
345 HG LEU 45 HG LEU 45 -36.505 -4.646 -6.428
346 1HD1 LEU 45 1HD1 LEU 45 -36.785 -2.238 -5.638
347 2HD1 LEU 45 3HD1 LEU 45 -35.199 -1.940 -6.352
348 3HD1 LEU 45 2HD1 LEU 45 -36.533 -2.493 -7.365
349 1HD2 LEU 45 3HD2 LEU 45 -33.567 -4.156 -6.374
350 2HD2 LEU 45 2HD2 LEU 45 -34.480 -5.449 -7.150
351 3HD2 LEU 45 1HD2 LEU 45 -34.456 -3.836 -7.862
352 H GLN 46 H GLN 46 -32.694 -5.915 -4.102
353 HA GLN 46 HA GLN 46 -32.473 -5.411 -1.235
354 1HB GLN 46 2HB GLN 46 -31.471 -7.945 -2.542
355 2HB GLN 46 1HB GLN 46 -31.051 -7.429 -0.914
356 1HG GLN 46 2HG GLN 46 -32.748 -8.941 -0.548
357 2HG GLN 46 1HG GLN 46 -33.595 -7.395 -0.511
358 1HE2 GLN 46 2HE2 GLN 46 -33.978 -9.497 -3.998
359 2HE2 GLN 46 1HE2 GLN 46 -32.430 -9.276 -3.266
360 H CYS 47 H CYS 47 -30.653 -4.314 -0.702
361 HA CYS 47 HA CYS 47 -28.949 -3.433 -2.832
362 1HB CYS 47 2HB CYS 47 -29.344 -2.724 0.013
363 2HB CYS 47 1HB CYS 47 -27.753 -2.400 -0.664
364 H ILE 48 H ILE 48 -27.610 -4.827 -3.629
365 HA ILE 48 HA ILE 48 -25.984 -6.616 -2.029
366 HB ILE 48 HB ILE 48 -26.031 -6.256 -5.014
367 1HG1 ILE 48 2HG1 ILE 48 -27.630 -8.004 -3.160
368 2HG1 ILE 48 1HG1 ILE 48 -28.200 -6.987 -4.481
369 1HG2 ILE 48 2HG2 ILE 48 -23.988 -7.308 -4.059
370 2HG2 ILE 48 1HG2 ILE 48 -25.011 -8.570 -3.373
371 3HG2 ILE 48 3HG2 ILE 48 -24.904 -8.373 -5.122
372 1HD1 ILE 48 2HD1 ILE 48 -27.085 -8.542 -6.066
373 2HD1 ILE 48 1HD1 ILE 48 -26.721 -9.594 -4.698
374 3HD1 ILE 48 3HD1 ILE 48 -28.397 -9.268 -5.137
375 H CYS 49 H CYS 49 -24.064 -5.937 -1.225
376 HA CYS 49 HA CYS 49 -22.709 -3.693 -2.535
377 1HB CYS 49 2HB CYS 49 -22.566 -4.943 0.172
378 2HB CYS 49 1HB CYS 49 -21.124 -4.146 -0.430
379 H ASP 50 H ASP 50 -21.280 -4.110 -4.047
380 HA ASP 50 HA ASP 50 -19.888 -6.689 -4.043
381 1HB ASP 50 2HB ASP 50 -20.205 -6.638 -6.268
382 2HB ASP 50 1HB ASP 50 -21.062 -5.115 -6.088
383 H TYR 51 H TYR 51 -17.839 -6.889 -3.594
384 HA TYR 51 HA TYR 51 -16.277 -4.469 -3.038
385 1HB TYR 51 2HB TYR 51 -16.018 -7.329 -2.125
386 2HB TYR 51 1HB TYR 51 -14.823 -6.086 -1.756
387 HD1 TYR 51 HD1 TYR 51 -18.492 -6.712 -1.494
388 HD2 TYR 51 HD2 TYR 51 -15.049 -4.919 0.246
389 HE1 TYR 51 HE1 TYR 51 -19.834 -6.054 0.455
390 HE2 TYR 51 HE2 TYR 51 -16.380 -4.254 2.206
391 HH TYR 51 HH TYR 51 -18.451 -4.946 3.347
392 H CYS 52 H CYS 52 -16.607 -6.930 -5.326
393 HA CYS 52 HA CYS 52 -14.107 -6.138 -6.600
394 1HB CYS 52 2HB CYS 52 -14.703 -9.061 -6.570
395 2HB CYS 52 1HB CYS 52 -13.159 -8.234 -6.741
396 H GLU 53 H GLU 53 -15.547 -5.065 -8.046
397 HA GLU 53 HA GLU 53 -16.284 -6.678 -10.288
398 1HB GLU 53 2HB GLU 53 -18.226 -6.759 -8.517
399 2HB GLU 53 1HB GLU 53 -18.596 -5.161 -9.151
400 1HG GLU 53 2HG GLU 53 -18.406 -6.453 -11.460
401 2HG GLU 53 1HG GLU 53 -18.848 -7.817 -10.435
402 H TYR 54 HN TYR 54 -14.595 -5.077 -10.894
403 HA TYR 54 HA TYR 54 -13.928 -3.214 -12.013
404 1HB TYR 54 2HB TYR 54 -16.867 -3.274 -12.649
405 2HB TYR 54 1HB TYR 54 -15.835 -1.985 -13.259
406 HD1 TYR 54 HD1 TYR 54 -13.526 -2.976 -14.307
407 HD2 TYR 54 HD2 TYR 54 -17.256 -5.011 -14.107
408 HE1 TYR 54 HE1 TYR 54 -12.840 -4.405 -16.185
409 HE2 TYR 54 HE2 TYR 54 -16.579 -6.448 -15.988
410 HH TYR 54 HH TYR 54 -13.327 -6.373 -17.275
No H/Q in entry = 410
Start of MODEL 19
1 HN PCA 1 HN PCA 1 -18.262 -14.797 -9.681
2 HA PCA 1 HA PCA 1 -20.241 -13.441 -8.776
3 1HB PCA 1 1HB PCA 1 -22.302 -14.232 -9.282
4 2HB PCA 1 2HB PCA 1 -21.965 -15.767 -8.448
5 1HG PCA 1 1HG PCA 1 -21.850 -15.167 -11.304
6 2HG PCA 1 2HG PCA 1 -21.675 -16.737 -10.497
7 H ASP 2 H ASP 2 -21.305 -13.902 -6.549
8 HA ASP 2 HA ASP 2 -21.024 -14.393 -4.344
9 1HB ASP 2 2HB ASP 2 -19.767 -16.928 -5.423
10 2HB ASP 2 1HB ASP 2 -20.276 -16.669 -3.759
11 H LYS 3 H LYS 3 -19.457 -14.422 -2.631
12 HA LYS 3 HA LYS 3 -17.471 -13.892 -1.646
13 1HB LYS 3 2HB LYS 3 -16.085 -14.645 -4.212
14 2HB LYS 3 1HB LYS 3 -15.429 -14.673 -2.587
15 1HG LYS 3 2HG LYS 3 -17.754 -16.427 -3.253
16 2HG LYS 3 1HG LYS 3 -16.147 -16.884 -3.809
17 1HD LYS 3 2HD LYS 3 -16.062 -17.940 -1.804
18 2HD LYS 3 1HD LYS 3 -15.605 -16.348 -1.208
19 1HE LYS 3 2HE LYS 3 -17.310 -17.171 0.223
20 2HE LYS 3 1HE LYS 3 -18.042 -15.921 -0.779
21 1HZ LYS 3 3HZ LYS 3 -18.194 -18.774 -1.527
22 2HZ LYS 3 2HZ LYS 3 -19.319 -18.083 -0.470
23 3HZ LYS 3 1HZ LYS 3 -19.170 -17.494 -2.048
24 H CYS 4 H CYS 4 -18.976 -12.114 -3.669
25 HA CYS 4 HA CYS 4 -17.147 -9.898 -3.456
26 1HB CYS 4 2HB CYS 4 -17.786 -11.160 -6.098
27 2HB CYS 4 1HB CYS 4 -17.496 -9.427 -6.001
28 H LYS 5 H LYS 5 -20.041 -10.951 -2.941
29 HA LYS 5 HA LYS 5 -21.281 -8.353 -3.375
30 1HB LYS 5 2HB LYS 5 -23.205 -9.149 -4.462
31 2HB LYS 5 1HB LYS 5 -21.841 -9.853 -5.322
32 1HG LYS 5 2HG LYS 5 -22.231 -11.860 -3.698
33 2HG LYS 5 1HG LYS 5 -23.846 -11.157 -3.552
34 1HD LYS 5 2HD LYS 5 -23.976 -11.160 -6.043
35 2HD LYS 5 1HD LYS 5 -22.462 -12.061 -6.064
36 1HE LYS 5 2HE LYS 5 -23.426 -13.975 -5.252
37 2HE LYS 5 1HE LYS 5 -24.689 -13.101 -4.386
38 1HZ LYS 5 3HZ LYS 5 -24.827 -12.818 -7.248
39 2HZ LYS 5 2HZ LYS 5 -25.031 -14.411 -6.717
40 3HZ LYS 5 1HZ LYS 5 -26.047 -13.189 -6.136
41 H LYS 6 H LYS 6 -22.462 -7.728 -1.657
42 HA LYS 6 HA LYS 6 -23.598 -9.740 0.130
43 1HB LYS 6 2HB LYS 6 -21.817 -7.536 1.182
44 2HB LYS 6 1HB LYS 6 -22.603 -8.794 2.123
45 1HG LYS 6 2HG LYS 6 -20.536 -9.388 0.021
46 2HG LYS 6 1HG LYS 6 -20.135 -9.072 1.705
47 1HD LYS 6 2HD LYS 6 -21.389 -10.968 2.440
48 2HD LYS 6 1HD LYS 6 -22.055 -11.224 0.826
49 1HE LYS 6 2HE LYS 6 -19.808 -12.458 1.865
50 2HE LYS 6 1HE LYS 6 -20.251 -12.385 0.160
51 1HZ LYS 6 3HZ LYS 6 -18.682 -10.227 1.430
52 2HZ LYS 6 2HZ LYS 6 -17.933 -11.615 0.817
53 3HZ LYS 6 1HZ LYS 6 -18.820 -10.607 -0.213
54 H VAL 7 H VAL 7 -25.579 -9.200 0.675
55 HA VAL 7 HA VAL 7 -26.784 -6.804 -0.136
56 HB VAL 7 HB VAL 7 -28.750 -7.713 0.523
57 1HG1 VAL 7 3HG1 VAL 7 -27.466 -9.494 -0.616
58 2HG1 VAL 7 2HG1 VAL 7 -27.045 -10.146 0.969
59 3HG1 VAL 7 1HG1 VAL 7 -28.732 -10.098 0.456
60 1HG2 VAL 7 2HG2 VAL 7 -27.399 -8.653 3.053
61 2HG2 VAL 7 1HG2 VAL 7 -28.574 -7.348 2.880
62 3HG2 VAL 7 3HG2 VAL 7 -29.072 -9.022 2.641
63 H TYR 8 H TYR 8 -26.977 -4.865 0.778
64 HA TYR 8 HA TYR 8 -25.536 -4.210 3.110
65 1HB TYR 8 2HB TYR 8 -25.918 -2.463 1.523
66 2HB TYR 8 1HB TYR 8 -27.656 -2.721 1.569
67 HD1 TYR 8 HD1 TYR 8 -25.903 -2.747 4.768
68 HD2 TYR 8 HD2 TYR 8 -27.883 -0.287 1.916
69 HE1 TYR 8 HE1 TYR 8 -26.125 -0.979 6.455
70 HE2 TYR 8 HE2 TYR 8 -28.110 1.490 3.603
71 HH TYR 8 HH TYR 8 -26.435 1.846 6.133
72 H GLU 9 H GLU 9 -28.954 -3.604 2.735
73 HA GLU 9 HA GLU 9 -29.973 -5.377 4.563
74 1HB GLU 9 2HB GLU 9 -28.548 -3.199 5.831
75 2HB GLU 9 1HB GLU 9 -30.234 -3.199 6.324
76 1HG GLU 9 2HG GLU 9 -28.693 -5.753 6.378
77 2HG GLU 9 1HG GLU 9 -28.460 -4.562 7.659
78 H ASN 10 H ASN 10 -31.980 -4.188 5.798
79 HA ASN 10 HA ASN 10 -34.122 -4.031 4.399
80 1HB ASN 10 2HB ASN 10 -34.856 -1.915 5.710
81 2HB ASN 10 1HB ASN 10 -34.427 -3.370 6.604
82 1HD2 ASN 10 2HD2 ASN 10 -31.818 -0.212 6.596
83 2HD2 ASN 10 1HD2 ASN 10 -32.825 -0.518 5.226
84 H TYR 11 H TYR 11 -31.833 -1.351 4.266
85 HA TYR 11 HA TYR 11 -32.009 0.662 3.098
86 1HB TYR 11 2HB TYR 11 -30.395 -0.862 2.060
87 2HB TYR 11 1HB TYR 11 -31.663 -1.450 0.989
88 HD1 TYR 11 HD2 TYR 11 -29.435 1.350 1.755
89 HD2 TYR 11 HD1 TYR 11 -32.448 -0.103 -0.871
90 HE1 TYR 11 HE2 TYR 11 -28.876 3.125 0.156
91 HE2 TYR 11 HE1 TYR 11 -31.907 1.677 -2.481
92 HH TYR 11 HH TYR 11 -29.155 3.400 -2.458
93 HA PRO 12 HA PRO 12 -36.108 1.391 1.408
94 1HB PRO 12 2HB PRO 12 -35.724 3.928 0.499
95 2HB PRO 12 1HB PRO 12 -35.974 3.537 2.203
96 1HG PRO 12 2HG PRO 12 -33.426 4.088 0.739
97 2HG PRO 12 1HG PRO 12 -33.940 4.637 2.345
98 1HD PRO 12 2HD PRO 12 -32.226 2.574 1.969
99 2HD PRO 12 1HD PRO 12 -33.339 2.655 3.351
100 H VAL 13 H VAL 13 -36.303 0.050 -0.318
101 HA VAL 13 HA VAL 13 -34.803 0.092 -2.675
102 HB VAL 13 HB VAL 13 -37.684 -0.779 -2.516
103 1HG1 VAL 13 3HG1 VAL 13 -35.366 -1.396 -4.295
104 2HG1 VAL 13 2HG1 VAL 13 -36.618 -2.610 -4.038
105 3HG1 VAL 13 1HG1 VAL 13 -37.041 -1.037 -4.712
106 1HG2 VAL 13 3HG2 VAL 13 -35.221 -2.098 -1.423
107 2HG2 VAL 13 2HG2 VAL 13 -36.773 -1.819 -0.633
108 3HG2 VAL 13 1HG2 VAL 13 -36.637 -3.036 -1.902
109 H SER 14 H SER 14 -36.370 2.654 -1.668
110 HA SER 14 HA SER 14 -38.150 3.415 -3.681
111 1HB SER 14 2HB SER 14 -37.878 5.679 -2.851
112 2HB SER 14 1HB SER 14 -37.913 4.560 -1.488
113 HG SER 14 HG SER 14 -35.773 6.030 -2.544
114 H LYS 15 H LYS 15 -34.881 2.828 -4.027
115 HA LYS 15 HA LYS 15 -34.850 3.913 -6.661
116 1HB LYS 15 2HB LYS 15 -32.565 5.204 -5.515
117 2HB LYS 15 1HB LYS 15 -33.928 5.937 -6.342
118 1HG LYS 15 2HG LYS 15 -35.088 6.322 -4.338
119 2HG LYS 15 1HG LYS 15 -34.056 5.218 -3.431
120 1HD LYS 15 2HD LYS 15 -32.201 6.988 -4.260
121 2HD LYS 15 1HD LYS 15 -33.613 8.042 -4.223
122 1HE LYS 15 2HE LYS 15 -32.678 6.319 -1.931
123 2HE LYS 15 1HE LYS 15 -32.340 8.041 -2.102
124 1HZ LYS 15 1HZ LYS 15 -34.862 8.282 -2.233
125 2HZ LYS 15 3HZ LYS 15 -34.929 6.714 -1.599
126 3HZ LYS 15 2HZ LYS 15 -34.186 7.953 -0.720
127 H CYS 16 H CYS 16 -33.610 2.690 -7.868
128 HA CYS 16 HA CYS 16 -31.048 1.690 -7.088
129 1HB CYS 16 2HB CYS 16 -33.260 -0.349 -7.433
130 2HB CYS 16 1HB CYS 16 -31.557 -0.692 -7.185
131 H GLN 17 H GLN 17 -32.950 2.893 -9.320
132 HA GLN 17 HA GLN 17 -32.223 1.153 -11.544
133 1HB GLN 17 2HB GLN 17 -33.789 3.730 -11.633
134 2HB GLN 17 1HB GLN 17 -33.693 2.501 -12.886
135 1HG GLN 17 2HG GLN 17 -35.373 1.332 -11.984
136 2HG GLN 17 1HG GLN 17 -34.623 1.370 -10.390
137 1HE2 GLN 17 2HE2 GLN 17 -36.371 4.287 -9.334
138 2HE2 GLN 17 1HE2 GLN 17 -34.834 3.504 -9.243
139 H LEU 18 H LEU 18 -30.536 3.287 -9.892
140 HA LEU 18 HA LEU 18 -28.806 3.888 -12.098
141 1HB LEU 18 2HB LEU 18 -29.269 6.432 -10.736
142 2HB LEU 18 1HB LEU 18 -29.158 6.083 -12.447
143 HG LEU 18 HG LEU 18 -31.566 5.415 -12.405
144 1HD1 LEU 18 3HD1 LEU 18 -31.185 6.057 -9.534
145 2HD1 LEU 18 2HD1 LEU 18 -32.704 6.550 -10.284
146 3HD1 LEU 18 1HD1 LEU 18 -32.224 4.855 -10.295
147 1HD2 LEU 18 1HD2 LEU 18 -30.818 8.195 -11.529
148 2HD2 LEU 18 3HD2 LEU 18 -30.953 7.593 -13.181
149 3HD2 LEU 18 2HD2 LEU 18 -32.395 7.744 -12.177
150 H ALA 19 H ALA 19 -26.763 4.116 -11.481
151 HA ALA 19 HA ALA 19 -25.940 3.301 -8.941
152 1HB ALA 19 3HB ALA 19 -24.537 4.557 -11.258
153 2HB ALA 19 2HB ALA 19 -23.684 4.275 -9.742
154 3HB ALA 19 1HB ALA 19 -24.395 2.919 -10.619
155 H ASN 20 H ASN 20 -26.138 4.374 -7.098
156 HA ASN 20 HA ASN 20 -24.915 6.857 -6.643
157 1HB ASN 20 2HB ASN 20 -26.889 7.657 -7.956
158 2HB ASN 20 1HB ASN 20 -27.932 7.011 -6.693
159 1HD2 ASN 20 2HD2 ASN 20 -25.675 9.597 -4.741
160 2HD2 ASN 20 1HD2 ASN 20 -25.211 7.993 -5.181
161 H GLN 21 H GLN 21 -27.620 7.189 -4.895
162 HA GLN 21 HA GLN 21 -27.010 7.003 -2.424
163 1HB GLN 21 2HB GLN 21 -29.356 6.998 -3.261
164 2HB GLN 21 1HB GLN 21 -29.268 5.246 -3.392
165 1HG GLN 21 2HG GLN 21 -30.399 5.897 -1.353
166 2HG GLN 21 1HG GLN 21 -28.877 5.088 -0.987
167 1HE2 GLN 21 2HE2 GLN 21 -27.872 7.651 1.077
168 2HE2 GLN 21 1HE2 GLN 21 -27.958 5.963 0.717
169 H CYS 22 H CYS 22 -28.054 3.830 -3.649
170 HA CYS 22 HA CYS 22 -26.818 2.347 -1.636
171 1HB CYS 22 2HB CYS 22 -28.595 1.657 -3.411
172 2HB CYS 22 1HB CYS 22 -27.198 1.220 -4.388
173 H ASN 23 H ASN 23 -25.703 3.026 -4.946
174 HA ASN 23 HA ASN 23 -23.326 1.605 -4.887
175 1HB ASN 23 2HB ASN 23 -24.358 2.813 -6.870
176 2HB ASN 23 1HB ASN 23 -23.637 4.289 -6.234
177 1HD2 ASN 23 2HD2 ASN 23 -21.438 2.554 -8.760
178 2HD2 ASN 23 1HD2 ASN 23 -23.122 2.936 -8.746
179 H TYR 24 H TYR 24 -23.502 5.140 -4.504
180 HA TYR 24 HA TYR 24 -20.984 5.544 -3.472
181 1HB TYR 24 2HB TYR 24 -21.856 7.608 -3.786
182 2HB TYR 24 1HB TYR 24 -23.501 7.031 -3.556
183 HD1 TYR 24 HD2 TYR 24 -20.447 7.631 -1.479
184 HD2 TYR 24 HD1 TYR 24 -24.673 7.967 -1.817
185 HE1 TYR 24 HE2 TYR 24 -20.527 8.742 0.707
186 HE2 TYR 24 HE1 TYR 24 -24.765 9.080 0.371
187 HH TYR 24 HH TYR 24 -23.558 9.463 2.299
188 H ASP 25 H ASP 25 -23.924 4.588 -1.763
189 HA ASP 25 HA ASP 25 -23.024 4.868 0.854
190 1HB ASP 25 2HB ASP 25 -25.038 3.082 -0.458
191 2HB ASP 25 1HB ASP 25 -24.634 2.814 1.231
192 H CYS 26 H CYS 26 -23.066 1.789 -0.998
193 HA CYS 26 HA CYS 26 -21.453 0.395 0.810
194 1HB CYS 26 2HB CYS 26 -21.402 -0.060 -2.180
195 2HB CYS 26 1HB CYS 26 -21.109 -1.234 -0.907
196 H LYS 27 H LYS 27 -20.663 2.467 -1.912
197 HA LYS 27 HA LYS 27 -17.920 2.011 -2.087
198 1HB LYS 27 2HB LYS 27 -19.733 3.600 -3.396
199 2HB LYS 27 1HB LYS 27 -18.732 4.795 -2.590
200 1HG LYS 27 2HG LYS 27 -16.760 3.950 -3.655
201 2HG LYS 27 1HG LYS 27 -17.655 2.586 -4.327
202 1HD LYS 27 2HD LYS 27 -17.556 4.038 -6.128
203 2HD LYS 27 1HD LYS 27 -19.128 4.422 -5.428
204 1HE LYS 27 2HE LYS 27 -17.439 6.114 -4.061
205 2HE LYS 27 1HE LYS 27 -16.731 6.085 -5.675
206 1HZ LYS 27 3HZ LYS 27 -19.627 6.432 -5.452
207 2HZ LYS 27 2HZ LYS 27 -18.642 7.745 -5.046
208 3HZ LYS 27 1HZ LYS 27 -18.548 7.064 -6.591
209 H LEU 28 H LEU 28 -19.394 2.976 0.667
210 HA LEU 28 HA LEU 28 -16.933 3.980 1.762
211 1HB LEU 28 2HB LEU 28 -17.845 5.991 0.665
212 2HB LEU 28 1HB LEU 28 -19.299 5.850 1.632
213 HG LEU 28 HG LEU 28 -17.677 7.576 2.427
214 1HD1 LEU 28 2HD1 LEU 28 -19.293 5.973 3.894
215 2HD1 LEU 28 1HD1 LEU 28 -17.740 5.671 4.671
216 3HD1 LEU 28 3HD1 LEU 28 -18.361 7.316 4.551
217 1HD2 LEU 28 3HD2 LEU 28 -15.689 6.061 1.847
218 2HD2 LEU 28 2HD2 LEU 28 -15.596 7.031 3.317
219 3HD2 LEU 28 1HD2 LEU 28 -15.981 5.313 3.418
220 H ASP 29 H ASP 29 -20.422 3.563 2.248
221 HA ASP 29 HA ASP 29 -20.289 3.553 5.081
222 1HB ASP 29 2HB ASP 29 -22.357 2.484 3.157
223 2HB ASP 29 1HB ASP 29 -22.559 2.450 4.905
224 H LYS 30 H LYS 30 -19.389 1.264 2.728
225 HA LYS 30 HA LYS 30 -18.890 -0.713 4.823
226 1HB LYS 30 2HB LYS 30 -20.465 -1.224 2.308
227 2HB LYS 30 1HB LYS 30 -19.666 -2.518 3.190
228 1HG LYS 30 2HG LYS 30 -21.537 -0.674 4.610
229 2HG LYS 30 1HG LYS 30 -22.163 -2.010 3.640
230 1HD LYS 30 2HD LYS 30 -20.848 -3.591 4.955
231 2HD LYS 30 1HD LYS 30 -20.190 -2.262 5.910
232 1HE LYS 30 2HE LYS 30 -22.300 -1.782 6.868
233 2HE LYS 30 1HE LYS 30 -23.139 -2.812 5.710
234 1HZ LYS 30 3HZ LYS 30 -21.780 -4.688 6.729
235 2HZ LYS 30 2HZ LYS 30 -21.452 -3.618 7.998
236 3HZ LYS 30 1HZ LYS 30 -23.049 -4.061 7.657
237 H HIS 31 H HIS 31 -17.340 1.170 3.055
238 HA HIS 31 HA HIS 31 -15.525 1.186 1.656
239 1HB HIS 31 2HB HIS 31 -14.067 -1.022 2.693
240 2HB HIS 31 1HB HIS 31 -13.927 0.670 3.150
241 HD1 HIS 31 HD1 HIS 31 -14.584 -2.532 4.559
242 HD2 HIS 31 HD2 HIS 31 -15.979 1.320 5.259
243 HE1 HIS 31 HE1 HIS 31 -15.562 -2.580 6.876
244 HE2 HIS 31 HE2 HIS 31 -16.426 -0.247 7.267
245 H ALA 32 H ALA 32 -17.645 -0.186 0.443
246 HA ALA 32 HA ALA 32 -16.555 -2.613 -0.724
247 1HB ALA 32 1HB ALA 32 -19.089 -1.943 -0.141
248 2HB ALA 32 3HB ALA 32 -19.041 -1.436 -1.828
249 3HB ALA 32 2HB ALA 32 -18.672 -3.105 -1.399
250 H ARG 33 H ARG 33 -17.289 -2.610 -3.283
251 HA ARG 33 HA ARG 33 -15.518 -0.613 -4.479
252 1HB ARG 33 2HB ARG 33 -15.427 -3.191 -4.850
253 2HB ARG 33 1HB ARG 33 -16.765 -2.914 -5.953
254 1HG ARG 33 2HG ARG 33 -14.109 -1.515 -6.147
255 2HG ARG 33 1HG ARG 33 -14.523 -2.985 -7.030
256 1HD ARG 33 2HD ARG 33 -16.616 -1.523 -7.742
257 2HD ARG 33 1HD ARG 33 -15.508 -0.200 -7.392
258 HE ARG 33 HE ARG 33 -14.019 -1.754 -8.988
259 1HH1 ARG 33 1HH2 ARG 33 -17.290 -0.598 -9.273
260 2HH1 ARG 33 2HH2 ARG 33 -17.272 -0.570 -11.004
261 1HH2 ARG 33 1HH1 ARG 33 -15.387 -1.209 -12.145
262 2HH2 ARG 33 2HH1 ARG 33 -13.978 -1.720 -11.276
263 H SER 34 H SER 34 -18.788 -1.885 -4.711
264 HA SER 34 HA SER 34 -19.807 0.616 -5.668
265 1HB SER 34 2HB SER 34 -20.281 0.137 -7.852
266 2HB SER 34 1HB SER 34 -18.887 -0.931 -7.685
267 HG SER 34 HG SER 34 -21.616 -1.552 -7.759
268 H GLY 35 H GLY 35 -22.282 0.241 -6.231
269 1HA GLY 35 2HA GLY 35 -23.431 -2.002 -4.813
270 2HA GLY 35 1HA GLY 35 -23.626 -0.463 -3.995
271 H GLU 36 H GLU 36 -25.549 -2.335 -5.157
272 HA GLU 36 HA GLU 36 -27.418 -0.520 -6.161
273 1HB GLU 36 2HB GLU 36 -25.724 -1.808 -8.193
274 2HB GLU 36 1HB GLU 36 -27.442 -2.073 -8.460
275 1HG GLU 36 2HG GLU 36 -27.638 0.492 -8.154
276 2HG GLU 36 1HG GLU 36 -25.905 0.488 -8.470
277 H CYS 37 H CYS 37 -29.473 -1.583 -6.586
278 HA CYS 37 HA CYS 37 -29.644 -4.007 -5.025
279 1HB CYS 37 2HB CYS 37 -32.012 -2.640 -6.217
280 2HB CYS 37 1HB CYS 37 -31.890 -3.526 -4.703
281 H PHE 38 H PHE 38 -30.514 -5.915 -5.601
282 HA PHE 38 HA PHE 38 -31.237 -6.351 -8.396
283 1HB PHE 38 2HB PHE 38 -28.967 -7.726 -6.964
284 2HB PHE 38 1HB PHE 38 -29.776 -8.457 -8.347
285 HD1 PHE 38 HD1 PHE 38 -29.634 -7.409 -10.563
286 HD2 PHE 38 HD2 PHE 38 -27.446 -5.919 -7.233
287 HE1 PHE 38 HE1 PHE 38 -28.181 -6.139 -12.091
288 HE2 PHE 38 HE2 PHE 38 -25.988 -4.646 -8.752
289 HZ PHE 38 HZ PHE 38 -26.355 -4.754 -11.186
290 H TYR 39 H TYR 39 -32.166 -8.521 -8.726
291 HA TYR 39 HA TYR 39 -34.078 -9.072 -6.686
292 1HB TYR 39 2HB TYR 39 -33.494 -10.209 -9.396
293 2HB TYR 39 1HB TYR 39 -34.669 -10.977 -8.334
294 HD1 TYR 39 HD1 TYR 39 -36.629 -9.631 -7.537
295 HD2 TYR 39 HD2 TYR 39 -34.061 -8.279 -10.635
296 HE1 TYR 39 HE1 TYR 39 -38.367 -8.053 -8.270
297 HE2 TYR 39 HE2 TYR 39 -35.787 -6.693 -11.384
298 HH TYR 39 HH TYR 39 -38.218 -6.411 -11.242
299 H ASP 40 H ASP 40 -34.551 -11.356 -5.995
300 HA ASP 40 HA ASP 40 -32.492 -13.299 -5.908
301 1HB ASP 40 2HB ASP 40 -32.019 -13.122 -3.447
302 2HB ASP 40 1HB ASP 40 -31.344 -11.818 -4.420
303 H GLU 41 H GLU 41 -32.925 -14.886 -4.051
304 HA GLU 41 HA GLU 41 -34.476 -16.652 -3.921
305 1HB GLU 41 2HB GLU 41 -35.076 -14.622 -1.773
306 2HB GLU 41 1HB GLU 41 -35.590 -16.302 -1.718
307 1HG GLU 41 2HG GLU 41 -32.727 -15.385 -1.866
308 2HG GLU 41 1HG GLU 41 -33.565 -15.855 -0.388
309 H LYS 42 H LYS 42 -36.670 -14.284 -2.610
310 HA LYS 42 HA LYS 42 -38.726 -15.214 -4.484
311 1HB LYS 42 2HB LYS 42 -38.928 -13.771 -1.841
312 2HB LYS 42 1HB LYS 42 -40.309 -14.152 -2.860
313 1HG LYS 42 2HG LYS 42 -39.302 -16.592 -2.696
314 2HG LYS 42 1HG LYS 42 -38.611 -15.942 -1.208
315 1HD LYS 42 2HD LYS 42 -40.599 -16.705 -0.383
316 2HD LYS 42 1HD LYS 42 -41.103 -15.085 -0.871
317 1HE LYS 42 2HE LYS 42 -41.694 -16.182 -3.123
318 2HE LYS 42 1HE LYS 42 -41.590 -17.707 -2.245
319 1HZ LYS 42 1HZ LYS 42 -43.173 -15.740 -0.885
320 2HZ LYS 42 3HZ LYS 42 -43.786 -16.120 -2.417
321 3HZ LYS 42 2HZ LYS 42 -43.546 -17.342 -1.274
322 H ARG 43 H ARG 43 -37.412 -13.717 -6.033
323 HA ARG 43 HA ARG 43 -37.159 -11.751 -7.145
324 1HB ARG 43 2HB ARG 43 -40.132 -11.687 -6.612
325 2HB ARG 43 1HB ARG 43 -39.297 -10.808 -7.886
326 1HG ARG 43 2HG ARG 43 -39.271 -13.808 -7.666
327 2HG ARG 43 1HG ARG 43 -40.478 -12.912 -8.588
328 1HD ARG 43 2HD ARG 43 -37.978 -11.900 -9.404
329 2HD ARG 43 1HD ARG 43 -37.796 -13.653 -9.344
330 HE ARG 43 HE ARG 43 -40.138 -12.609 -10.725
331 1HH1 ARG 43 1HH2 ARG 43 -36.922 -13.936 -10.927
332 2HH1 ARG 43 2HH2 ARG 43 -37.073 -14.381 -12.593
333 1HH2 ARG 43 2HH1 ARG 43 -40.342 -13.190 -12.921
334 2HH2 ARG 43 1HH1 ARG 43 -39.015 -13.956 -13.727
335 H ASN 44 H ASN 44 -36.291 -11.230 -4.663
336 HA ASN 44 HA ASN 44 -37.618 -8.746 -3.806
337 1HB ASN 44 2HB ASN 44 -36.215 -10.893 -2.408
338 2HB ASN 44 1HB ASN 44 -35.594 -9.307 -1.959
339 1HD2 ASN 44 2HD2 ASN 44 -39.592 -9.918 -1.344
340 2HD2 ASN 44 1HD2 ASN 44 -38.841 -10.433 -2.811
341 H LEU 45 H LEU 45 -36.767 -6.876 -4.430
342 HA LEU 45 HA LEU 45 -34.128 -6.804 -5.631
343 1HB LEU 45 2HB LEU 45 -36.001 -5.631 -6.699
344 2HB LEU 45 1HB LEU 45 -36.205 -4.639 -5.269
345 HG LEU 45 HG LEU 45 -33.953 -3.669 -5.661
346 1HD1 LEU 45 3HD1 LEU 45 -34.082 -5.387 -8.126
347 2HD1 LEU 45 2HD1 LEU 45 -32.999 -4.006 -7.961
348 3HD1 LEU 45 1HD1 LEU 45 -32.845 -5.382 -6.869
349 1HD2 LEU 45 3HD2 LEU 45 -36.139 -2.714 -6.566
350 2HD2 LEU 45 2HD2 LEU 45 -34.644 -2.155 -7.318
351 3HD2 LEU 45 1HD2 LEU 45 -35.639 -3.363 -8.128
352 H GLN 46 H GLN 46 -32.815 -7.191 -3.822
353 HA GLN 46 HA GLN 46 -32.880 -5.201 -1.659
354 1HB GLN 46 2HB GLN 46 -32.039 -8.006 -1.888
355 2HB GLN 46 1HB GLN 46 -30.950 -7.013 -0.930
356 1HG GLN 46 2HG GLN 46 -32.978 -6.257 0.364
357 2HG GLN 46 1HG GLN 46 -33.870 -7.532 -0.468
358 1HE2 GLN 46 2HE2 GLN 46 -32.930 -9.135 2.593
359 2HE2 GLN 46 1HE2 GLN 46 -34.084 -8.021 1.951
360 H CYS 47 H CYS 47 -31.159 -3.936 -1.071
361 HA CYS 47 HA CYS 47 -29.439 -3.004 -3.089
362 1HB CYS 47 2HB CYS 47 -30.129 -2.275 -0.426
363 2HB CYS 47 1HB CYS 47 -28.376 -2.258 -0.555
364 H ILE 48 H ILE 48 -28.003 -4.396 -3.962
365 HA ILE 48 HA ILE 48 -26.367 -6.072 -2.229
366 HB ILE 48 HB ILE 48 -26.352 -5.947 -5.236
367 1HG1 ILE 48 2HG1 ILE 48 -28.146 -7.337 -3.306
368 2HG1 ILE 48 1HG1 ILE 48 -28.497 -6.708 -4.912
369 1HG2 ILE 48 1HG2 ILE 48 -24.349 -6.919 -4.140
370 2HG2 ILE 48 3HG2 ILE 48 -25.395 -8.115 -3.376
371 3HG2 ILE 48 2HG2 ILE 48 -25.235 -8.074 -5.131
372 1HD1 ILE 48 2HD1 ILE 48 -27.112 -8.648 -5.795
373 2HD1 ILE 48 1HD1 ILE 48 -27.219 -9.312 -4.166
374 3HD1 ILE 48 3HD1 ILE 48 -28.688 -9.028 -5.099
375 H CYS 49 H CYS 49 -24.446 -5.452 -1.525
376 HA CYS 49 HA CYS 49 -23.059 -3.207 -2.797
377 1HB CYS 49 2HB CYS 49 -22.640 -4.674 -0.189
378 2HB CYS 49 1HB CYS 49 -21.520 -3.460 -0.788
379 H ASP 50 H ASP 50 -21.630 -3.644 -4.345
380 HA ASP 50 HA ASP 50 -20.431 -6.301 -4.504
381 1HB ASP 50 2HB ASP 50 -21.426 -4.549 -6.421
382 2HB ASP 50 1HB ASP 50 -19.683 -4.420 -6.623
383 H TYR 51 H TYR 51 -18.311 -6.741 -4.370
384 HA TYR 51 HA TYR 51 -16.562 -4.574 -3.408
385 1HB TYR 51 2HB TYR 51 -16.614 -7.533 -2.887
386 2HB TYR 51 1HB TYR 51 -15.222 -6.537 -2.473
387 HD1 TYR 51 HD1 TYR 51 -15.483 -4.725 -0.767
388 HD2 TYR 51 HD2 TYR 51 -18.557 -7.562 -1.538
389 HE1 TYR 51 HE1 TYR 51 -16.548 -4.147 1.376
390 HE2 TYR 51 HE2 TYR 51 -19.630 -6.993 0.598
391 HH TYR 51 HH TYR 51 -18.080 -5.070 2.980
392 H CYS 52 H CYS 52 -16.993 -6.957 -5.878
393 HA CYS 52 HA CYS 52 -14.575 -6.005 -7.196
394 1HB CYS 52 2HB CYS 52 -14.663 -8.862 -7.568
395 2HB CYS 52 1HB CYS 52 -13.366 -7.877 -6.902
396 H GLU 53 H GLU 53 -17.094 -8.504 -7.549
397 HA GLU 53 HA GLU 53 -18.780 -8.612 -9.130
398 1HB GLU 53 2HB GLU 53 -18.153 -6.082 -9.553
399 2HB GLU 53 1HB GLU 53 -17.370 -6.733 -10.985
400 1HG GLU 53 2HG GLU 53 -19.376 -7.448 -11.911
401 2HG GLU 53 1HG GLU 53 -20.221 -7.395 -10.368
402 H TYR 54 HN TYR 54 -16.008 -7.828 -11.209
403 HA TYR 54 HA TYR 54 -15.667 -10.666 -11.828
404 1HB TYR 54 2HB TYR 54 -17.058 -8.887 -13.514
405 2HB TYR 54 1HB TYR 54 -15.487 -9.113 -14.271
406 HD1 TYR 54 HD2 TYR 54 -17.954 -11.291 -12.497
407 HD2 TYR 54 HD1 TYR 54 -15.484 -10.725 -15.910
408 HE1 TYR 54 HE2 TYR 54 -18.725 -13.446 -13.405
409 HE2 TYR 54 HE1 TYR 54 -16.245 -12.875 -16.829
410 HH TYR 54 HH TYR 54 -18.427 -14.344 -16.510
No H/Q in entry = 410
Start of MODEL 20
1 HN PCA 1 HN PCA 1 -8.734 -12.708 0.533
2 HA PCA 1 HA PCA 1 -9.833 -10.750 -0.628
3 1HB PCA 1 1HB PCA 1 -9.950 -10.996 -2.875
4 2HB PCA 1 2HB PCA 1 -11.282 -12.153 -2.649
5 1HG PCA 1 1HG PCA 1 -8.602 -12.726 -3.469
6 2HG PCA 1 2HG PCA 1 -9.872 -13.898 -3.073
7 H ASP 2 H ASP 2 -10.828 -13.956 0.195
8 HA ASP 2 HA ASP 2 -12.774 -14.834 1.030
9 1HB ASP 2 2HB ASP 2 -12.067 -13.761 3.023
10 2HB ASP 2 1HB ASP 2 -12.528 -12.170 2.424
11 H LYS 3 H LYS 3 -13.963 -14.897 -0.926
12 HA LYS 3 HA LYS 3 -15.763 -14.497 -2.259
13 1HB LYS 3 2HB LYS 3 -16.853 -12.693 -0.112
14 2HB LYS 3 1HB LYS 3 -17.740 -13.680 -1.266
15 1HG LYS 3 2HG LYS 3 -16.860 -15.703 -0.118
16 2HG LYS 3 1HG LYS 3 -16.149 -14.642 1.100
17 1HD LYS 3 2HD LYS 3 -19.045 -14.337 0.478
18 2HD LYS 3 1HD LYS 3 -18.537 -15.731 1.435
19 1HE LYS 3 2HE LYS 3 -17.917 -12.849 2.072
20 2HE LYS 3 1HE LYS 3 -19.179 -13.814 2.835
21 1HZ LYS 3 3HZ LYS 3 -16.647 -15.120 2.930
22 2HZ LYS 3 2HZ LYS 3 -16.577 -13.594 3.654
23 3HZ LYS 3 1HZ LYS 3 -17.704 -14.734 4.194
24 H CYS 4 H CYS 4 -17.341 -12.319 -2.732
25 HA CYS 4 HA CYS 4 -15.693 -9.967 -3.023
26 1HB CYS 4 2HB CYS 4 -16.360 -11.764 -5.325
27 2HB CYS 4 1HB CYS 4 -16.205 -10.030 -5.585
28 H LYS 5 H LYS 5 -18.689 -11.643 -3.886
29 HA LYS 5 HA LYS 5 -20.095 -9.068 -4.030
30 1HB LYS 5 2HB LYS 5 -20.646 -10.304 -5.919
31 2HB LYS 5 1HB LYS 5 -20.681 -11.826 -5.041
32 1HG LYS 5 2HG LYS 5 -22.699 -9.803 -4.264
33 2HG LYS 5 1HG LYS 5 -22.890 -10.550 -5.850
34 1HD LYS 5 2HD LYS 5 -22.336 -12.331 -3.532
35 2HD LYS 5 1HD LYS 5 -23.947 -11.618 -3.663
36 1HE LYS 5 2HE LYS 5 -23.893 -13.792 -4.744
37 2HE LYS 5 1HE LYS 5 -24.150 -12.518 -5.935
38 1HZ LYS 5 1HZ LYS 5 -21.468 -13.637 -5.365
39 2HZ LYS 5 3HZ LYS 5 -22.494 -14.294 -6.539
40 3HZ LYS 5 2HZ LYS 5 -21.949 -12.701 -6.689
41 H LYS 6 H LYS 6 -21.729 -8.510 -2.672
42 HA LYS 6 HA LYS 6 -22.699 -10.433 -0.708
43 1HB LYS 6 2HB LYS 6 -21.797 -7.744 0.276
44 2HB LYS 6 1HB LYS 6 -22.109 -9.210 1.196
45 1HG LYS 6 2HG LYS 6 -20.095 -10.213 0.059
46 2HG LYS 6 1HG LYS 6 -19.744 -8.595 -0.553
47 1HD LYS 6 2HD LYS 6 -19.423 -7.736 1.622
48 2HD LYS 6 1HD LYS 6 -20.144 -9.160 2.374
49 1HE LYS 6 2HE LYS 6 -18.278 -10.514 1.784
50 2HE LYS 6 1HE LYS 6 -17.614 -9.254 0.745
51 1HZ LYS 6 2HZ LYS 6 -17.579 -7.900 2.936
52 2HZ LYS 6 1HZ LYS 6 -17.634 -9.417 3.681
53 3HZ LYS 6 3HZ LYS 6 -16.358 -9.031 2.637
54 H VAL 7 H VAL 7 -24.111 -8.611 0.904
55 HA VAL 7 HA VAL 7 -25.605 -6.774 -0.673
56 HB VAL 7 HB VAL 7 -27.184 -8.081 -1.589
57 1HG1 VAL 7 1HG1 VAL 7 -25.705 -10.277 -0.194
58 2HG1 VAL 7 3HG1 VAL 7 -27.190 -10.609 -1.080
59 3HG1 VAL 7 2HG1 VAL 7 -25.810 -9.908 -1.917
60 1HG2 VAL 7 1HG2 VAL 7 -27.825 -9.057 1.197
61 2HG2 VAL 7 3HG2 VAL 7 -28.521 -7.650 0.393
62 3HG2 VAL 7 2HG2 VAL 7 -28.843 -9.269 -0.226
63 H TYR 8 H TYR 8 -27.325 -5.743 0.515
64 HA TYR 8 HA TYR 8 -26.722 -5.630 3.348
65 1HB TYR 8 2HB TYR 8 -27.305 -3.701 1.555
66 2HB TYR 8 1HB TYR 8 -28.912 -3.970 2.222
67 HD1 TYR 8 HD1 TYR 8 -28.189 -4.594 5.052
68 HD2 TYR 8 HD2 TYR 8 -26.739 -1.597 2.402
69 HE1 TYR 8 HE1 TYR 8 -27.629 -3.166 6.976
70 HE2 TYR 8 HE2 TYR 8 -26.174 -0.164 4.319
71 HH TYR 8 HH TYR 8 -27.309 -0.723 7.427
72 H GLU 9 H GLU 9 -27.657 -7.129 4.601
73 HA GLU 9 HA GLU 9 -30.057 -8.469 3.990
74 1HB GLU 9 2HB GLU 9 -29.012 -8.202 6.791
75 2HB GLU 9 1HB GLU 9 -29.832 -9.567 6.049
76 1HG GLU 9 2HG GLU 9 -27.043 -8.635 5.409
77 2HG GLU 9 1HG GLU 9 -27.469 -10.017 6.418
78 H ASN 10 H ASN 10 -29.798 -5.334 4.623
79 HA ASN 10 HA ASN 10 -32.473 -4.820 5.026
80 1HB ASN 10 2HB ASN 10 -32.326 -3.998 7.474
81 2HB ASN 10 1HB ASN 10 -32.542 -5.721 7.189
82 1HD2 ASN 10 2HD2 ASN 10 -30.004 -5.696 9.706
83 2HD2 ASN 10 1HD2 ASN 10 -31.713 -5.543 9.503
84 H TYR 11 H TYR 11 -32.699 -2.824 4.296
85 HA TYR 11 HA TYR 11 -31.437 -0.555 5.287
86 1HB TYR 11 2HB TYR 11 -29.418 -0.509 4.293
87 2HB TYR 11 1HB TYR 11 -29.762 -2.048 3.519
88 HD1 TYR 11 HD2 TYR 11 -31.338 -1.820 1.363
89 HD2 TYR 11 HD1 TYR 11 -28.864 1.266 2.929
90 HE1 TYR 11 HE2 TYR 11 -31.331 -0.719 -0.834
91 HE2 TYR 11 HE1 TYR 11 -28.849 2.376 0.734
92 HH TYR 11 HH TYR 11 -29.398 2.183 -1.432
93 HA PRO 12 HA PRO 12 -34.499 1.887 3.309
94 1HB PRO 12 2HB PRO 12 -32.221 2.869 1.618
95 2HB PRO 12 1HB PRO 12 -33.540 3.789 2.353
96 1HG PRO 12 2HG PRO 12 -31.081 3.631 3.473
97 2HG PRO 12 1HG PRO 12 -32.562 3.785 4.432
98 1HD PRO 12 2HD PRO 12 -30.743 1.510 4.216
99 2HD PRO 12 1HD PRO 12 -32.076 1.767 5.359
100 H VAL 13 H VAL 13 -35.354 -0.106 2.366
101 HA VAL 13 HA VAL 13 -34.589 -1.207 -0.075
102 HB VAL 13 HB VAL 13 -37.449 -1.041 0.850
103 1HG1 VAL 13 2HG1 VAL 13 -36.999 -2.017 -1.372
104 2HG1 VAL 13 1HG1 VAL 13 -35.946 -3.209 -0.610
105 3HG1 VAL 13 3HG1 VAL 13 -37.669 -3.188 -0.236
106 1HG2 VAL 13 2HG2 VAL 13 -35.158 -2.595 1.970
107 2HG2 VAL 13 1HG2 VAL 13 -36.464 -1.760 2.809
108 3HG2 VAL 13 3HG2 VAL 13 -36.780 -3.287 1.987
109 H SER 14 H SER 14 -36.681 1.540 0.625
110 HA SER 14 HA SER 14 -37.766 1.874 -1.943
111 1HB SER 14 2HB SER 14 -38.881 3.530 -0.900
112 2HB SER 14 1HB SER 14 -37.907 3.216 0.537
113 HG SER 14 HG SER 14 -36.922 4.829 -1.552
114 H LYS 15 H LYS 15 -34.930 3.415 -0.433
115 HA LYS 15 HA LYS 15 -34.211 4.926 -2.704
116 1HB LYS 15 2HB LYS 15 -32.881 4.131 -0.165
117 2HB LYS 15 1HB LYS 15 -31.846 4.699 -1.466
118 1HG LYS 15 2HG LYS 15 -32.948 6.805 -1.533
119 2HG LYS 15 1HG LYS 15 -34.217 6.238 -0.445
120 1HD LYS 15 2HD LYS 15 -32.693 7.602 0.811
121 2HD LYS 15 1HD LYS 15 -32.491 5.925 1.316
122 1HE LYS 15 2HE LYS 15 -30.723 6.657 -0.890
123 2HE LYS 15 1HE LYS 15 -30.464 7.643 0.547
124 1HZ LYS 15 2HZ LYS 15 -30.341 5.510 1.817
125 2HZ LYS 15 1HZ LYS 15 -30.320 4.690 0.337
126 3HZ LYS 15 3HZ LYS 15 -29.072 5.764 0.727
127 H CYS 16 H CYS 16 -34.070 3.827 -4.578
128 HA CYS 16 HA CYS 16 -31.738 2.340 -5.138
129 1HB CYS 16 2HB CYS 16 -34.015 0.821 -4.198
130 2HB CYS 16 1HB CYS 16 -33.620 0.359 -5.850
131 H GLN 17 H GLN 17 -31.327 3.241 -7.033
132 HA GLN 17 HA GLN 17 -33.365 3.134 -9.134
133 1HB GLN 17 2HB GLN 17 -31.839 5.556 -8.207
134 2HB GLN 17 1HB GLN 17 -32.391 5.429 -9.873
135 1HG GLN 17 2HG GLN 17 -34.666 5.353 -9.204
136 2HG GLN 17 1HG GLN 17 -34.224 5.159 -7.508
137 1HE2 GLN 17 2HE2 GLN 17 -35.096 8.732 -8.631
138 2HE2 GLN 17 1HE2 GLN 17 -35.754 7.224 -9.160
139 H LEU 18 H LEU 18 -31.559 1.249 -8.982
140 HA LEU 18 HA LEU 18 -29.594 0.346 -9.807
141 1HB LEU 18 2HB LEU 18 -30.739 1.676 -12.251
142 2HB LEU 18 1HB LEU 18 -29.672 0.285 -12.237
143 HG LEU 18 HG LEU 18 -32.396 0.229 -10.956
144 1HD1 LEU 18 1HD1 LEU 18 -31.613 -0.266 -13.811
145 2HD1 LEU 18 3HD1 LEU 18 -33.040 -1.010 -13.087
146 3HD1 LEU 18 2HD1 LEU 18 -32.913 0.747 -13.183
147 1HD2 LEU 18 3HD2 LEU 18 -30.405 -1.852 -11.820
148 2HD2 LEU 18 2HD2 LEU 18 -31.038 -1.551 -10.201
149 3HD2 LEU 18 1HD2 LEU 18 -32.085 -2.232 -11.446
150 H ALA 19 H ALA 19 -27.825 1.373 -8.973
151 HA ALA 19 HA ALA 19 -25.734 2.314 -9.471
152 1HB ALA 19 1HB ALA 19 -26.614 2.777 -11.838
153 2HB ALA 19 3HB ALA 19 -27.011 4.382 -11.221
154 3HB ALA 19 2HB ALA 19 -25.343 3.815 -11.198
155 H ASN 20 H ASN 20 -24.691 3.973 -8.420
156 HA ASN 20 HA ASN 20 -24.390 5.618 -6.897
157 1HB ASN 20 2HB ASN 20 -25.744 6.840 -8.755
158 2HB ASN 20 1HB ASN 20 -27.061 6.792 -7.589
159 1HD2 ASN 20 2HD2 ASN 20 -24.818 8.668 -5.238
160 2HD2 ASN 20 1HD2 ASN 20 -25.391 7.039 -5.274
161 H GLN 21 H GLN 21 -27.930 5.572 -6.692
162 HA GLN 21 HA GLN 21 -28.023 5.582 -3.909
163 1HB GLN 21 2HB GLN 21 -29.862 5.763 -5.986
164 2HB GLN 21 1HB GLN 21 -30.377 4.333 -5.105
165 1HG GLN 21 2HG GLN 21 -31.555 6.138 -4.172
166 2HG GLN 21 1HG GLN 21 -30.288 5.737 -3.013
167 1HE2 GLN 21 1HE2 GLN 21 -28.657 7.186 -2.622
168 2HE2 GLN 21 2HE2 GLN 21 -28.666 8.806 -3.224
169 H CYS 22 H CYS 22 -26.234 3.574 -4.582
170 HA CYS 22 HA CYS 22 -26.903 1.527 -2.823
171 1HB CYS 22 2HB CYS 22 -28.413 0.918 -4.815
172 2HB CYS 22 1HB CYS 22 -26.930 0.528 -5.674
173 H ASN 23 H ASN 23 -25.242 2.053 -5.913
174 HA ASN 23 HA ASN 23 -22.922 0.591 -5.342
175 1HB ASN 23 2HB ASN 23 -23.354 1.296 -7.604
176 2HB ASN 23 1HB ASN 23 -23.388 2.991 -7.127
177 1HD2 ASN 23 1HD2 ASN 23 -21.748 1.583 -9.107
178 2HD2 ASN 23 2HD2 ASN 23 -20.108 1.910 -8.674
179 H TYR 24 H TYR 24 -23.575 4.078 -5.072
180 HA TYR 24 HA TYR 24 -21.163 4.804 -3.859
181 1HB TYR 24 2HB TYR 24 -22.211 6.746 -4.391
182 2HB TYR 24 1HB TYR 24 -23.803 6.017 -4.276
183 HD1 TYR 24 HD1 TYR 24 -21.135 6.564 -1.720
184 HD2 TYR 24 HD2 TYR 24 -25.126 7.365 -2.957
185 HE1 TYR 24 HE1 TYR 24 -21.537 7.778 0.384
186 HE2 TYR 24 HE2 TYR 24 -25.538 8.583 -0.859
187 HH TYR 24 HH TYR 24 -23.404 9.810 1.013
188 H ASP 25 H ASP 25 -24.248 3.773 -2.467
189 HA ASP 25 HA ASP 25 -23.663 4.121 0.222
190 1HB ASP 25 2HB ASP 25 -25.216 1.735 -0.746
191 2HB ASP 25 1HB ASP 25 -25.483 2.716 0.692
192 H CYS 26 H CYS 26 -23.294 1.085 -1.641
193 HA CYS 26 HA CYS 26 -21.991 -0.326 0.375
194 1HB CYS 26 2HB CYS 26 -21.553 -0.556 -2.614
195 2HB CYS 26 1HB CYS 26 -21.083 -1.758 -1.418
196 H LYS 27 H LYS 27 -20.730 1.838 -2.107
197 HA LYS 27 HA LYS 27 -17.999 1.490 -1.559
198 1HB LYS 27 2HB LYS 27 -19.361 2.782 -3.482
199 2HB LYS 27 1HB LYS 27 -18.938 4.160 -2.478
200 1HG LYS 27 2HG LYS 27 -16.676 3.925 -2.877
201 2HG LYS 27 1HG LYS 27 -16.818 2.218 -3.299
202 1HD LYS 27 2HD LYS 27 -16.361 3.663 -5.252
203 2HD LYS 27 1HD LYS 27 -17.875 2.767 -5.391
204 1HE LYS 27 2HE LYS 27 -17.917 5.219 -6.072
205 2HE LYS 27 1HE LYS 27 -19.172 4.678 -4.961
206 1HZ LYS 27 2HZ LYS 27 -16.935 5.553 -3.491
207 2HZ LYS 27 1HZ LYS 27 -17.361 6.755 -4.601
208 3HZ LYS 27 3HZ LYS 27 -18.505 6.179 -3.496
209 H LEU 28 H LEU 28 -20.040 2.253 0.726
210 HA LEU 28 HA LEU 28 -18.074 3.658 2.280
211 1HB LEU 28 2HB LEU 28 -19.303 5.428 0.893
212 2HB LEU 28 1HB LEU 28 -20.694 5.082 1.904
213 HG LEU 28 HG LEU 28 -18.986 5.562 3.862
214 1HD1 LEU 28 3HD1 LEU 28 -17.171 5.837 2.023
215 2HD1 LEU 28 2HD1 LEU 28 -17.865 7.447 1.836
216 3HD1 LEU 28 1HD1 LEU 28 -17.204 6.948 3.393
217 1HD2 LEU 28 2HD2 LEU 28 -21.060 6.814 3.353
218 2HD2 LEU 28 1HD2 LEU 28 -19.752 7.849 3.923
219 3HD2 LEU 28 3HD2 LEU 28 -20.152 7.798 2.206
220 H ASP 29 H ASP 29 -21.486 2.699 2.062
221 HA ASP 29 HA ASP 29 -21.906 2.553 4.865
222 1HB ASP 29 2HB ASP 29 -23.374 1.398 2.497
223 2HB ASP 29 1HB ASP 29 -23.892 1.097 4.152
224 H LYS 30 H LYS 30 -20.287 0.561 2.648
225 HA LYS 30 HA LYS 30 -19.900 -1.475 4.713
226 1HB LYS 30 2HB LYS 30 -21.235 -1.869 2.127
227 2HB LYS 30 1HB LYS 30 -19.923 -3.003 2.413
228 1HG LYS 30 2HG LYS 30 -20.947 -3.736 4.468
229 2HG LYS 30 1HG LYS 30 -22.217 -2.521 4.304
230 1HD LYS 30 2HD LYS 30 -23.056 -3.593 2.320
231 2HD LYS 30 1HD LYS 30 -21.704 -4.727 2.312
232 1HE LYS 30 2HE LYS 30 -22.490 -5.564 4.527
233 2HE LYS 30 1HE LYS 30 -23.913 -4.538 4.353
234 1HZ LYS 30 1HZ LYS 30 -23.193 -6.514 2.281
235 2HZ LYS 30 3HZ LYS 30 -24.091 -6.966 3.642
236 3HZ LYS 30 2HZ LYS 30 -24.695 -5.796 2.579
237 H HIS 31 H HIS 31 -18.579 0.756 2.813
238 HA HIS 31 HA HIS 31 -16.518 1.183 1.954
239 1HB HIS 31 2HB HIS 31 -15.475 -1.004 3.739
240 2HB HIS 31 1HB HIS 31 -14.688 0.500 3.274
241 HD1 HIS 31 HD1 HIS 31 -15.833 -0.860 6.183
242 HD2 HIS 31 HD2 HIS 31 -16.783 2.703 4.266
243 HE1 HIS 31 HE1 HIS 31 -16.772 0.638 7.973
244 HE2 HIS 31 HE2 HIS 31 -17.357 2.782 6.787
245 H ALA 32 H ALA 32 -18.093 -0.712 0.518
246 HA ALA 32 HA ALA 32 -16.287 -2.806 -0.359
247 1HB ALA 32 1HB ALA 32 -18.933 -2.814 -0.155
248 2HB ALA 32 3HB ALA 32 -18.815 -2.240 -1.817
249 3HB ALA 32 2HB ALA 32 -18.089 -3.783 -1.362
250 H ARG 33 H ARG 33 -16.793 -2.960 -3.052
251 HA ARG 33 HA ARG 33 -15.266 -0.668 -4.046
252 1HB ARG 33 2HB ARG 33 -15.756 -3.436 -5.135
253 2HB ARG 33 1HB ARG 33 -15.000 -2.167 -6.092
254 1HG ARG 33 2HG ARG 33 -13.963 -3.265 -3.486
255 2HG ARG 33 1HG ARG 33 -13.343 -3.642 -5.094
256 1HD ARG 33 2HD ARG 33 -13.101 -1.032 -5.263
257 2HD ARG 33 1HD ARG 33 -13.102 -1.130 -3.503
258 HE ARG 33 HE ARG 33 -11.258 -2.961 -4.167
259 1HH1 ARG 33 1HH2 ARG 33 -11.728 0.341 -5.172
260 2HH1 ARG 33 2HH2 ARG 33 -10.043 0.635 -5.442
261 1HH2 ARG 33 2HH1 ARG 33 -9.037 -2.583 -4.520
262 2HH2 ARG 33 1HH1 ARG 33 -8.513 -1.024 -5.064
263 H SER 34 H SER 34 -18.179 -2.555 -4.804
264 HA SER 34 HA SER 34 -19.435 -0.200 -5.894
265 1HB SER 34 2HB SER 34 -19.832 -1.055 -8.118
266 2HB SER 34 1HB SER 34 -18.095 -1.080 -7.811
267 HG SER 34 HG SER 34 -19.344 -3.054 -8.708
268 H GLY 35 H GLY 35 -21.400 -1.703 -7.409
269 1HA GLY 35 2HA GLY 35 -22.647 -3.817 -6.289
270 2HA GLY 35 1HA GLY 35 -23.056 -2.517 -5.181
271 H GLU 36 H GLU 36 -25.247 -3.308 -5.988
272 HA GLU 36 HA GLU 36 -26.368 -1.335 -7.642
273 1HB GLU 36 2HB GLU 36 -25.129 -2.957 -9.287
274 2HB GLU 36 1HB GLU 36 -26.518 -3.997 -9.009
275 1HG GLU 36 2HG GLU 36 -28.007 -2.433 -9.930
276 2HG GLU 36 1HG GLU 36 -26.809 -1.141 -9.874
277 H CYS 37 H CYS 37 -28.688 -1.703 -8.064
278 HA CYS 37 HA CYS 37 -29.868 -3.118 -5.816
279 1HB CYS 37 2HB CYS 37 -31.091 -1.283 -7.885
280 2HB CYS 37 1HB CYS 37 -31.962 -1.990 -6.532
281 H PHE 38 H PHE 38 -31.182 -4.866 -5.937
282 HA PHE 38 HA PHE 38 -32.092 -5.834 -8.523
283 1HB PHE 38 2HB PHE 38 -30.048 -7.227 -6.833
284 2HB PHE 38 1HB PHE 38 -31.180 -8.178 -7.789
285 HD1 PHE 38 HD2 PHE 38 -31.343 -7.569 -10.303
286 HD2 PHE 38 HD1 PHE 38 -28.084 -6.482 -7.793
287 HE1 PHE 38 HE2 PHE 38 -29.916 -7.284 -12.286
288 HE2 PHE 38 HE1 PHE 38 -26.650 -6.193 -9.773
289 HZ PHE 38 HZ PHE 38 -27.566 -6.595 -12.024
290 H TYR 39 H TYR 39 -33.851 -7.243 -8.400
291 HA TYR 39 HA TYR 39 -35.291 -7.147 -5.885
292 1HB TYR 39 2HB TYR 39 -36.032 -8.027 -8.668
293 2HB TYR 39 1HB TYR 39 -37.098 -8.292 -7.295
294 HD1 TYR 39 HD1 TYR 39 -37.956 -6.276 -6.017
295 HD2 TYR 39 HD2 TYR 39 -35.945 -5.943 -9.755
296 HE1 TYR 39 HE1 TYR 39 -38.895 -4.028 -6.315
297 HE2 TYR 39 HE2 TYR 39 -36.875 -3.687 -10.058
298 HH TYR 39 HH TYR 39 -39.117 -2.292 -7.684
299 H ASP 40 H ASP 40 -36.380 -9.077 -5.031
300 HA ASP 40 HA ASP 40 -34.568 -11.367 -5.071
301 1HB ASP 40 2HB ASP 40 -36.318 -12.063 -3.177
302 2HB ASP 40 1HB ASP 40 -34.989 -10.953 -2.855
303 H GLU 41 H GLU 41 -36.110 -13.473 -4.455
304 HA GLU 41 HA GLU 41 -37.209 -14.190 -6.947
305 1HB GLU 41 2HB GLU 41 -37.195 -15.492 -4.243
306 2HB GLU 41 1HB GLU 41 -38.099 -16.198 -5.576
307 1HG GLU 41 2HG GLU 41 -36.145 -16.548 -6.848
308 2HG GLU 41 1HG GLU 41 -35.179 -15.533 -5.776
309 H LYS 42 H LYS 42 -38.468 -11.899 -5.393
310 HA LYS 42 HA LYS 42 -41.232 -12.692 -5.924
311 1HB LYS 42 2HB LYS 42 -40.124 -11.742 -3.321
312 2HB LYS 42 1HB LYS 42 -41.735 -11.206 -3.785
313 1HG LYS 42 2HG LYS 42 -42.520 -13.464 -3.913
314 2HG LYS 42 1HG LYS 42 -40.889 -14.092 -3.670
315 1HD LYS 42 2HD LYS 42 -41.772 -14.294 -1.556
316 2HD LYS 42 1HD LYS 42 -41.001 -12.712 -1.457
317 1HE LYS 42 2HE LYS 42 -43.030 -12.141 -0.605
318 2HE LYS 42 1HE LYS 42 -43.413 -11.945 -2.314
319 1HZ LYS 42 1HZ LYS 42 -43.798 -14.600 -1.175
320 2HZ LYS 42 3HZ LYS 42 -44.881 -13.398 -0.679
321 3HZ LYS 42 2HZ LYS 42 -44.723 -13.768 -2.321
322 H ARG 43 H ARG 43 -39.684 -9.881 -4.456
323 HA ARG 43 HA ARG 43 -39.220 -8.105 -6.328
324 1HB ARG 43 2HB ARG 43 -42.135 -8.579 -6.369
325 2HB ARG 43 1HB ARG 43 -41.673 -6.890 -6.314
326 1HG ARG 43 2HG ARG 43 -40.503 -7.000 -8.327
327 2HG ARG 43 1HG ARG 43 -40.472 -8.761 -8.323
328 1HD ARG 43 2HD ARG 43 -42.147 -7.496 -9.854
329 2HD ARG 43 1HD ARG 43 -42.677 -8.930 -8.974
330 HE ARG 43 HE ARG 43 -44.057 -7.610 -7.702
331 1HH1 ARG 43 1HH2 ARG 43 -41.835 -5.599 -9.475
332 2HH1 ARG 43 2HH2 ARG 43 -42.650 -4.123 -9.080
333 1HH2 ARG 43 2HH1 ARG 43 -45.144 -5.673 -7.178
334 2HH2 ARG 43 1HH1 ARG 43 -44.536 -4.166 -7.775
335 H ASN 44 H ASN 44 -38.314 -8.219 -3.913
336 HA ASN 44 HA ASN 44 -39.686 -6.153 -2.327
337 1HB ASN 44 2HB ASN 44 -38.602 -8.686 -1.613
338 2HB ASN 44 1HB ASN 44 -37.631 -7.461 -0.805
339 1HD2 ASN 44 2HD2 ASN 44 -41.074 -8.527 0.757
340 2HD2 ASN 44 1HD2 ASN 44 -40.151 -9.429 -0.392
341 H LEU 45 H LEU 45 -37.234 -6.377 -4.454
342 HA LEU 45 HA LEU 45 -35.416 -5.106 -4.957
343 1HB LEU 45 2HB LEU 45 -37.382 -3.400 -3.919
344 2HB LEU 45 1HB LEU 45 -35.883 -2.876 -3.176
345 HG LEU 45 HG LEU 45 -36.256 -3.209 -6.150
346 1HD1 LEU 45 1HD1 LEU 45 -37.692 -1.429 -5.038
347 2HD1 LEU 45 3HD1 LEU 45 -36.179 -0.605 -4.661
348 3HD1 LEU 45 2HD1 LEU 45 -36.627 -0.902 -6.342
349 1HD2 LEU 45 3HD2 LEU 45 -33.945 -3.392 -5.292
350 2HD2 LEU 45 2HD2 LEU 45 -34.201 -1.996 -6.338
351 3HD2 LEU 45 1HD2 LEU 45 -34.113 -1.782 -4.590
352 H GLN 46 H GLN 46 -33.316 -4.991 -4.343
353 HA GLN 46 HA GLN 46 -32.629 -4.868 -1.517
354 1HB GLN 46 2HB GLN 46 -32.054 -7.225 -3.299
355 2HB GLN 46 1HB GLN 46 -31.053 -6.869 -1.899
356 1HG GLN 46 2HG GLN 46 -33.433 -6.818 -0.704
357 2HG GLN 46 1HG GLN 46 -33.828 -7.896 -2.041
358 1HE2 GLN 46 2HE2 GLN 46 -31.995 -9.329 1.147
359 2HE2 GLN 46 1HE2 GLN 46 -32.824 -7.816 1.060
360 H CYS 47 H CYS 47 -30.152 -4.881 -1.270
361 HA CYS 47 HA CYS 47 -28.948 -3.427 -3.540
362 1HB CYS 47 2HB CYS 47 -29.393 -2.556 -0.836
363 2HB CYS 47 1HB CYS 47 -27.664 -2.579 -1.160
364 H ILE 48 H ILE 48 -27.510 -4.699 -4.443
365 HA ILE 48 HA ILE 48 -25.971 -6.618 -2.902
366 HB ILE 48 HB ILE 48 -26.007 -6.027 -5.867
367 1HG1 ILE 48 2HG1 ILE 48 -27.348 -8.078 -4.120
368 2HG1 ILE 48 1HG1 ILE 48 -28.073 -7.014 -5.321
369 1HG2 ILE 48 2HG2 ILE 48 -23.827 -6.922 -5.149
370 2HG2 ILE 48 1HG2 ILE 48 -24.649 -8.299 -4.415
371 3HG2 ILE 48 3HG2 ILE 48 -24.707 -8.062 -6.160
372 1HD1 ILE 48 2HD1 ILE 48 -26.897 -8.315 -7.082
373 2HD1 ILE 48 1HD1 ILE 48 -26.367 -9.436 -5.829
374 3HD1 ILE 48 3HD1 ILE 48 -28.087 -9.241 -6.167
375 H CYS 49 H CYS 49 -23.926 -6.316 -2.223
376 HA CYS 49 HA CYS 49 -22.505 -3.896 -3.147
377 1HB CYS 49 2HB CYS 49 -22.330 -5.399 -0.532
378 2HB CYS 49 1HB CYS 49 -21.235 -4.100 -0.990
379 H ASP 50 H ASP 50 -20.853 -4.234 -4.460
380 HA ASP 50 HA ASP 50 -19.559 -6.864 -4.506
381 1HB ASP 50 2HB ASP 50 -20.445 -5.376 -6.568
382 2HB ASP 50 1HB ASP 50 -18.794 -4.775 -6.479
383 H TYR 51 H TYR 51 -17.290 -7.082 -4.507
384 HA TYR 51 HA TYR 51 -15.808 -4.824 -3.321
385 1HB TYR 51 2HB TYR 51 -15.835 -7.715 -2.463
386 2HB TYR 51 1HB TYR 51 -14.616 -6.560 -1.928
387 HD1 TYR 51 HD1 TYR 51 -18.334 -6.895 -2.103
388 HD2 TYR 51 HD2 TYR 51 -14.971 -5.503 0.096
389 HE1 TYR 51 HE1 TYR 51 -19.827 -6.225 -0.274
390 HE2 TYR 51 HE2 TYR 51 -16.452 -4.822 1.937
391 HH TYR 51 HH TYR 51 -19.204 -5.852 2.560
392 H CYS 52 H CYS 52 -16.070 -6.727 -5.916
393 HA CYS 52 HA CYS 52 -13.232 -6.469 -6.568
394 1HB CYS 52 2HB CYS 52 -14.776 -9.027 -7.048
395 2HB CYS 52 1HB CYS 52 -13.084 -8.730 -7.434
396 H GLU 53 H GLU 53 -14.928 -8.477 -8.681
397 HA GLU 53 HA GLU 53 -15.112 -8.026 -10.990
398 1HB GLU 53 2HB GLU 53 -17.463 -7.146 -9.383
399 2HB GLU 53 1HB GLU 53 -17.494 -6.864 -11.120
400 1HG GLU 53 2HG GLU 53 -18.587 -8.949 -10.558
401 2HG GLU 53 1HG GLU 53 -17.139 -9.238 -11.522
402 H TYR 54 HN TYR 54 -13.852 -6.684 -12.108
403 HA TYR 54 HA TYR 54 -13.062 -4.805 -13.117
404 1HB TYR 54 2HB TYR 54 -15.766 -3.704 -12.318
405 2HB TYR 54 1HB TYR 54 -14.635 -2.892 -13.394
406 HD1 TYR 54 HD1 TYR 54 -14.113 -3.883 -15.609
407 HD2 TYR 54 HD2 TYR 54 -17.150 -5.482 -13.095
408 HE1 TYR 54 HE1 TYR 54 -15.060 -5.086 -17.530
409 HE2 TYR 54 HE2 TYR 54 -18.106 -6.691 -15.012
410 HH TYR 54 HH TYR 54 -17.108 -6.089 -18.248
No H/Q in entry = 410
Start of MODEL 21
1 HN PCA 1 HN PCA 1 -19.366 -16.462 5.384
2 HA PCA 1 HA PCA 1 -20.972 -17.223 3.544
3 1HB PCA 1 1HB PCA 1 -22.890 -16.037 3.361
4 2HB PCA 1 2HB PCA 1 -21.980 -14.559 2.968
5 1HG PCA 1 1HG PCA 1 -23.170 -15.343 5.506
6 2HG PCA 1 2HG PCA 1 -22.359 -13.821 5.094
7 H ASP 2 H ASP 2 -20.047 -17.292 1.575
8 HA ASP 2 HA ASP 2 -17.724 -15.689 1.071
9 1HB ASP 2 2HB ASP 2 -19.027 -17.526 -0.928
10 2HB ASP 2 1HB ASP 2 -17.322 -17.110 -0.768
11 H LYS 3 H LYS 3 -18.571 -15.986 -1.933
12 HA LYS 3 HA LYS 3 -19.394 -14.648 -3.578
13 1HB LYS 3 2HB LYS 3 -21.213 -13.376 -1.541
14 2HB LYS 3 1HB LYS 3 -21.468 -13.547 -3.272
15 1HG LYS 3 2HG LYS 3 -21.404 -16.095 -2.758
16 2HG LYS 3 1HG LYS 3 -21.750 -15.578 -1.108
17 1HD LYS 3 2HD LYS 3 -23.609 -14.145 -2.303
18 2HD LYS 3 1HD LYS 3 -23.430 -15.370 -3.559
19 1HE LYS 3 2HE LYS 3 -25.071 -16.317 -2.264
20 2HE LYS 3 1HE LYS 3 -23.628 -17.029 -1.543
21 1HZ LYS 3 1HZ LYS 3 -24.917 -14.569 -0.504
22 2HZ LYS 3 3HZ LYS 3 -25.286 -16.120 0.065
23 3HZ LYS 3 2HZ LYS 3 -23.722 -15.503 0.244
24 H CYS 4 H CYS 4 -18.387 -12.961 -4.444
25 HA CYS 4 HA CYS 4 -16.919 -11.138 -2.799
26 1HB CYS 4 2HB CYS 4 -17.046 -11.849 -5.625
27 2HB CYS 4 1HB CYS 4 -16.850 -10.116 -5.394
28 H LYS 5 H LYS 5 -20.012 -11.200 -2.960
29 HA LYS 5 HA LYS 5 -20.300 -8.292 -2.942
30 1HB LYS 5 2HB LYS 5 -22.600 -9.712 -4.143
31 2HB LYS 5 1HB LYS 5 -21.887 -8.160 -4.564
32 1HG LYS 5 2HG LYS 5 -21.548 -9.531 -6.427
33 2HG LYS 5 1HG LYS 5 -19.989 -9.459 -5.609
34 1HD LYS 5 2HD LYS 5 -19.954 -11.685 -5.324
35 2HD LYS 5 1HD LYS 5 -21.560 -11.677 -4.597
36 1HE LYS 5 2HE LYS 5 -21.410 -13.080 -6.628
37 2HE LYS 5 1HE LYS 5 -22.601 -11.787 -6.761
38 1HZ LYS 5 2HZ LYS 5 -19.988 -11.036 -7.696
39 2HZ LYS 5 1HZ LYS 5 -20.657 -12.322 -8.567
40 3HZ LYS 5 3HZ LYS 5 -21.495 -10.858 -8.442
41 H LYS 6 H LYS 6 -20.980 -7.812 -0.975
42 HA LYS 6 HA LYS 6 -22.618 -9.741 0.502
43 1HB LYS 6 2HB LYS 6 -21.325 -7.232 1.560
44 2HB LYS 6 1HB LYS 6 -21.966 -8.584 2.487
45 1HG LYS 6 2HG LYS 6 -20.228 -10.031 1.438
46 2HG LYS 6 1HG LYS 6 -19.532 -8.578 0.720
47 1HD LYS 6 2HD LYS 6 -18.630 -7.883 2.681
48 2HD LYS 6 1HD LYS 6 -20.008 -8.437 3.631
49 1HE LYS 6 2HE LYS 6 -17.781 -10.145 2.525
50 2HE LYS 6 1HE LYS 6 -18.032 -9.708 4.216
51 1HZ LYS 6 2HZ LYS 6 -20.321 -10.950 2.997
52 2HZ LYS 6 1HZ LYS 6 -18.958 -11.952 3.025
53 3HZ LYS 6 3HZ LYS 6 -19.558 -11.296 4.467
54 H VAL 7 H VAL 7 -24.720 -9.466 0.810
55 HA VAL 7 HA VAL 7 -26.104 -7.225 -0.232
56 HB VAL 7 HB VAL 7 -27.991 -8.428 0.069
57 1HG1 VAL 7 2HG1 VAL 7 -26.088 -10.051 -0.568
58 2HG1 VAL 7 1HG1 VAL 7 -26.334 -10.705 1.054
59 3HG1 VAL 7 3HG1 VAL 7 -27.662 -10.703 -0.107
60 1HG2 VAL 7 3HG2 VAL 7 -27.016 -9.043 2.850
61 2HG2 VAL 7 2HG2 VAL 7 -28.341 -7.983 2.366
62 3HG2 VAL 7 1HG2 VAL 7 -28.494 -9.729 2.174
63 H TYR 8 H TYR 8 -27.181 -5.563 0.814
64 HA TYR 8 HA TYR 8 -25.948 -4.697 3.278
65 1HB TYR 8 2HB TYR 8 -26.570 -3.254 1.233
66 2HB TYR 8 1HB TYR 8 -28.211 -3.314 1.852
67 HD1 TYR 8 HD1 TYR 8 -27.274 -3.166 4.873
68 HD2 TYR 8 HD2 TYR 8 -26.378 -0.883 1.391
69 HE1 TYR 8 HE1 TYR 8 -26.801 -1.230 6.277
70 HE2 TYR 8 HE2 TYR 8 -25.894 1.069 2.802
71 HH TYR 8 HH TYR 8 -26.852 1.655 5.515
72 H GLU 9 H GLU 9 -26.718 -6.315 4.685
73 HA GLU 9 HA GLU 9 -29.459 -6.870 5.101
74 1HB GLU 9 2HB GLU 9 -27.976 -7.372 7.503
75 2HB GLU 9 1HB GLU 9 -28.554 -8.531 6.313
76 1HG GLU 9 2HG GLU 9 -26.489 -8.065 4.984
77 2HG GLU 9 1HG GLU 9 -25.906 -7.111 6.348
78 H ASN 10 H ASN 10 -30.902 -5.480 5.831
79 HA ASN 10 HA ASN 10 -31.799 -4.364 7.783
80 1HB ASN 10 2HB ASN 10 -29.631 -4.154 8.959
81 2HB ASN 10 1HB ASN 10 -29.162 -2.878 7.832
82 1HD2 ASN 10 2HD2 ASN 10 -31.501 -2.085 10.998
83 2HD2 ASN 10 1HD2 ASN 10 -30.890 -3.665 10.659
84 H TYR 11 H TYR 11 -29.931 -3.085 5.116
85 HA TYR 11 HA TYR 11 -30.793 -0.559 4.790
86 1HB TYR 11 2HB TYR 11 -29.367 -1.943 3.223
87 2HB TYR 11 1HB TYR 11 -30.862 -2.536 2.514
88 HD1 TYR 11 HD1 TYR 11 -28.854 0.524 3.113
89 HD2 TYR 11 HD2 TYR 11 -32.014 -1.264 0.893
90 HE1 TYR 11 HE1 TYR 11 -28.885 2.466 1.605
91 HE2 TYR 11 HE2 TYR 11 -32.056 0.676 -0.619
92 HH TYR 11 HH TYR 11 -29.653 2.827 -0.917
93 HA PRO 12 HA PRO 12 -35.264 -0.434 4.778
94 1HB PRO 12 2HB PRO 12 -34.913 1.376 2.429
95 2HB PRO 12 1HB PRO 12 -35.891 1.594 3.884
96 1HG PRO 12 2HG PRO 12 -33.565 2.864 3.573
97 2HG PRO 12 1HG PRO 12 -34.089 2.266 5.157
98 1HD PRO 12 2HD PRO 12 -31.988 1.221 3.339
99 2HD PRO 12 1HD PRO 12 -32.112 1.139 5.107
100 H VAL 13 H VAL 13 -36.648 0.249 2.323
101 HA VAL 13 HA VAL 13 -36.112 -1.611 0.277
102 HB VAL 13 HB VAL 13 -38.656 -2.569 1.181
103 1HG1 VAL 13 3HG1 VAL 13 -35.980 -3.930 0.966
104 2HG1 VAL 13 2HG1 VAL 13 -37.532 -4.751 1.133
105 3HG1 VAL 13 1HG1 VAL 13 -37.195 -3.786 -0.305
106 1HG2 VAL 13 3HG2 VAL 13 -37.677 -1.825 3.441
107 2HG2 VAL 13 2HG2 VAL 13 -38.325 -3.454 3.297
108 3HG2 VAL 13 1HG2 VAL 13 -36.586 -3.197 3.247
109 H SER 14 H SER 14 -36.351 0.550 -0.569
110 HA SER 14 HA SER 14 -38.814 0.928 -1.884
111 1HB SER 14 2HB SER 14 -39.370 3.170 -0.874
112 2HB SER 14 1HB SER 14 -39.650 1.801 0.202
113 HG SER 14 HG SER 14 -38.337 3.851 0.858
114 H LYS 15 H LYS 15 -36.316 3.097 -0.549
115 HA LYS 15 HA LYS 15 -35.954 4.498 -2.993
116 1HB LYS 15 2HB LYS 15 -34.050 4.320 -0.648
117 2HB LYS 15 1HB LYS 15 -34.073 5.565 -1.889
118 1HG LYS 15 2HG LYS 15 -35.981 5.116 0.366
119 2HG LYS 15 1HG LYS 15 -35.104 6.581 -0.083
120 1HD LYS 15 2HD LYS 15 -36.489 6.628 -2.189
121 2HD LYS 15 1HD LYS 15 -37.461 5.334 -1.486
122 1HE LYS 15 2HE LYS 15 -38.337 6.701 0.154
123 2HE LYS 15 1HE LYS 15 -36.989 7.835 0.077
124 1HZ LYS 15 3HZ LYS 15 -38.386 7.720 -2.397
125 2HZ LYS 15 2HZ LYS 15 -39.437 8.111 -1.130
126 3HZ LYS 15 1HZ LYS 15 -38.062 9.054 -1.409
127 H CYS 16 H CYS 16 -35.430 3.187 -4.687
128 HA CYS 16 HA CYS 16 -32.731 2.379 -4.968
129 1HB CYS 16 2HB CYS 16 -34.619 0.401 -3.940
130 2HB CYS 16 1HB CYS 16 -33.823 -0.138 -5.414
131 H GLN 17 H GLN 17 -32.417 2.996 -6.963
132 HA GLN 17 HA GLN 17 -33.118 1.870 -9.270
133 1HB GLN 17 2HB GLN 17 -35.427 3.414 -8.235
134 2HB GLN 17 1HB GLN 17 -35.033 3.708 -9.919
135 1HG GLN 17 2HG GLN 17 -35.149 0.870 -9.119
136 2HG GLN 17 1HG GLN 17 -36.678 1.746 -9.088
137 1HE2 GLN 17 2HE2 GLN 17 -36.836 0.610 -12.418
138 2HE2 GLN 17 1HE2 GLN 17 -37.291 0.271 -10.787
139 H LEU 18 H LEU 18 -33.309 5.115 -7.860
140 HA LEU 18 HA LEU 18 -32.164 6.429 -10.107
141 1HB LEU 18 2HB LEU 18 -32.122 7.510 -7.315
142 2HB LEU 18 1HB LEU 18 -32.237 8.375 -8.834
143 HG LEU 18 HG LEU 18 -34.392 6.713 -7.536
144 1HD1 LEU 18 3HD1 LEU 18 -33.948 9.649 -7.920
145 2HD1 LEU 18 2HD1 LEU 18 -35.574 8.992 -7.737
146 3HD1 LEU 18 1HD1 LEU 18 -34.383 8.770 -6.455
147 1HD2 LEU 18 1HD2 LEU 18 -34.350 8.091 -10.216
148 2HD2 LEU 18 3HD2 LEU 18 -34.506 6.362 -9.912
149 3HD2 LEU 18 2HD2 LEU 18 -35.800 7.461 -9.435
150 H ALA 19 H ALA 19 -30.469 4.457 -9.809
151 HA ALA 19 HA ALA 19 -28.359 3.845 -8.712
152 1HB ALA 19 2HB ALA 19 -28.526 4.356 -11.257
153 2HB ALA 19 1HB ALA 19 -27.555 5.770 -10.844
154 3HB ALA 19 3HB ALA 19 -26.945 4.150 -10.502
155 H ASN 20 H ASN 20 -28.272 4.854 -6.643
156 HA ASN 20 HA ASN 20 -26.205 6.818 -6.455
157 1HB ASN 20 2HB ASN 20 -28.049 8.324 -6.931
158 2HB ASN 20 1HB ASN 20 -29.012 7.598 -5.647
159 1HD2 ASN 20 2HD2 ASN 20 -25.706 9.461 -4.194
160 2HD2 ASN 20 1HD2 ASN 20 -25.589 8.198 -5.368
161 H GLN 21 H GLN 21 -28.692 6.821 -4.048
162 HA GLN 21 HA GLN 21 -27.358 6.412 -1.824
163 1HB GLN 21 2HB GLN 21 -29.965 5.155 -2.625
164 2HB GLN 21 1HB GLN 21 -29.291 4.887 -1.023
165 1HG GLN 21 2HG GLN 21 -29.869 7.594 -2.197
166 2HG GLN 21 1HG GLN 21 -30.946 6.716 -1.113
167 1HE2 GLN 21 2HE2 GLN 21 -27.636 8.608 0.300
168 2HE2 GLN 21 1HE2 GLN 21 -27.884 8.369 -1.392
169 H CYS 22 H CYS 22 -28.791 3.429 -3.122
170 HA CYS 22 HA CYS 22 -27.227 1.637 -1.764
171 1HB CYS 22 2HB CYS 22 -29.236 1.252 -3.355
172 2HB CYS 22 1HB CYS 22 -28.013 1.100 -4.612
173 H ASN 23 H ASN 23 -26.649 2.457 -5.190
174 HA ASN 23 HA ASN 23 -24.219 1.233 -5.527
175 1HB ASN 23 2HB ASN 23 -25.763 2.748 -7.117
176 2HB ASN 23 1HB ASN 23 -24.530 3.949 -6.738
177 1HD2 ASN 23 2HD2 ASN 23 -22.109 2.585 -8.802
178 2HD2 ASN 23 1HD2 ASN 23 -22.550 3.796 -7.653
179 H TYR 24 H TYR 24 -24.443 4.754 -4.994
180 HA TYR 24 HA TYR 24 -21.806 5.206 -4.353
181 1HB TYR 24 2HB TYR 24 -22.843 7.219 -4.574
182 2HB TYR 24 1HB TYR 24 -24.354 6.628 -3.902
183 HD1 TYR 24 HD1 TYR 24 -20.900 7.569 -2.848
184 HD2 TYR 24 HD2 TYR 24 -25.021 7.367 -1.810
185 HE1 TYR 24 HE1 TYR 24 -20.425 8.759 -0.749
186 HE2 TYR 24 HE2 TYR 24 -24.558 8.557 0.290
187 HH TYR 24 HH TYR 24 -22.788 9.080 1.762
188 H ASP 25 H ASP 25 -24.459 4.292 -2.161
189 HA ASP 25 HA ASP 25 -23.149 4.539 0.256
190 1HB ASP 25 2HB ASP 25 -25.257 2.606 -0.679
191 2HB ASP 25 1HB ASP 25 -24.609 2.516 0.952
192 H CYS 26 H CYS 26 -23.460 1.435 -1.510
193 HA CYS 26 HA CYS 26 -21.594 0.046 -0.009
194 1HB CYS 26 2HB CYS 26 -22.109 -0.272 -2.975
195 2HB CYS 26 1HB CYS 26 -21.363 -1.467 -1.925
196 H LYS 27 H LYS 27 -21.128 2.083 -2.845
197 HA LYS 27 HA LYS 27 -18.420 1.613 -3.282
198 1HB LYS 27 2HB LYS 27 -20.159 2.902 -4.698
199 2HB LYS 27 1HB LYS 27 -19.665 4.300 -3.754
200 1HG LYS 27 2HG LYS 27 -17.507 4.280 -4.626
201 2HG LYS 27 1HG LYS 27 -17.643 2.608 -5.175
202 1HD LYS 27 2HD LYS 27 -19.281 3.299 -6.859
203 2HD LYS 27 1HD LYS 27 -19.141 4.971 -6.310
204 1HE LYS 27 2HE LYS 27 -17.772 4.123 -8.379
205 2HE LYS 27 1HE LYS 27 -17.051 5.237 -7.219
206 1HZ LYS 27 3HZ LYS 27 -16.713 2.287 -7.156
207 2HZ LYS 27 2HZ LYS 27 -15.585 3.370 -7.800
208 3HZ LYS 27 1HZ LYS 27 -15.945 3.409 -6.148
209 H LEU 28 H LEU 28 -19.607 2.760 -0.430
210 HA LEU 28 HA LEU 28 -17.038 3.688 0.390
211 1HB LEU 28 2HB LEU 28 -17.901 5.657 -0.860
212 2HB LEU 28 1HB LEU 28 -19.211 5.772 0.301
213 HG LEU 28 HG LEU 28 -16.606 5.704 1.613
214 1HD1 LEU 28 2HD1 LEU 28 -15.890 6.807 -0.462
215 2HD1 LEU 28 1HD1 LEU 28 -17.131 8.036 -0.221
216 3HD1 LEU 28 3HD1 LEU 28 -15.807 7.879 0.934
217 1HD2 LEU 28 2HD2 LEU 28 -18.782 6.374 2.629
218 2HD2 LEU 28 1HD2 LEU 28 -17.485 7.548 2.850
219 3HD2 LEU 28 3HD2 LEU 28 -18.737 7.833 1.640
220 H ASP 29 H ASP 29 -20.514 3.786 1.201
221 HA ASP 29 HA ASP 29 -20.130 4.035 3.985
222 1HB ASP 29 2HB ASP 29 -22.432 3.114 2.288
223 2HB ASP 29 1HB ASP 29 -22.508 2.969 4.039
224 H LYS 30 H LYS 30 -19.208 1.584 2.030
225 HA LYS 30 HA LYS 30 -19.023 -0.264 4.277
226 1HB LYS 30 2HB LYS 30 -20.341 -0.902 1.645
227 2HB LYS 30 1HB LYS 30 -19.636 -2.159 2.652
228 1HG LYS 30 2HG LYS 30 -21.136 -1.098 4.514
229 2HG LYS 30 1HG LYS 30 -22.041 -0.469 3.135
230 1HD LYS 30 2HD LYS 30 -22.045 -2.875 2.268
231 2HD LYS 30 1HD LYS 30 -21.525 -3.332 3.893
232 1HE LYS 30 2HE LYS 30 -23.988 -1.693 3.327
233 2HE LYS 30 1HE LYS 30 -24.002 -3.450 3.482
234 1HZ LYS 30 2HZ LYS 30 -22.648 -2.248 5.669
235 2HZ LYS 30 1HZ LYS 30 -24.205 -1.605 5.516
236 3HZ LYS 30 3HZ LYS 30 -23.991 -3.275 5.678
237 H HIS 31 H HIS 31 -17.464 1.469 2.137
238 HA HIS 31 HA HIS 31 -15.448 1.394 1.083
239 1HB HIS 31 2HB HIS 31 -14.540 -0.940 2.689
240 2HB HIS 31 1HB HIS 31 -13.745 0.602 2.391
241 HD1 HIS 31 HD1 HIS 31 -14.623 -1.087 5.165
242 HD2 HIS 31 HD2 HIS 31 -15.858 2.631 3.778
243 HE1 HIS 31 HE1 HIS 31 -15.455 0.144 7.194
244 HE2 HIS 31 HE2 HIS 31 -16.276 2.359 6.317
245 H ALA 32 H ALA 32 -17.541 -0.143 -0.114
246 HA ALA 32 HA ALA 32 -16.309 -2.611 -1.017
247 1HB ALA 32 3HB ALA 32 -18.857 -2.077 -0.537
248 2HB ALA 32 2HB ALA 32 -18.825 -1.608 -2.236
249 3HB ALA 32 1HB ALA 32 -18.368 -3.243 -1.763
250 H ARG 33 H ARG 33 -16.830 -2.957 -3.544
251 HA ARG 33 HA ARG 33 -15.171 -0.971 -4.895
252 1HB ARG 33 2HB ARG 33 -14.851 -3.551 -4.952
253 2HB ARG 33 1HB ARG 33 -16.160 -3.529 -6.123
254 1HG ARG 33 2HG ARG 33 -13.658 -1.892 -6.421
255 2HG ARG 33 1HG ARG 33 -13.828 -3.525 -7.062
256 1HD ARG 33 2HD ARG 33 -14.598 -2.510 -8.919
257 2HD ARG 33 1HD ARG 33 -16.092 -2.288 -8.011
258 HE ARG 33 HE ARG 33 -15.561 -0.045 -7.717
259 1HH1 ARG 33 1HH2 ARG 33 -12.968 -1.760 -9.288
260 2HH1 ARG 33 2HH2 ARG 33 -12.143 -0.321 -9.787
261 1HH2 ARG 33 2HH1 ARG 33 -14.482 1.860 -8.369
262 2HH2 ARG 33 1HH1 ARG 33 -13.005 1.737 -9.266
263 H SER 34 H SER 34 -18.389 -2.286 -4.889
264 HA SER 34 HA SER 34 -19.554 -0.082 -6.164
265 1HB SER 34 2HB SER 34 -20.192 -1.004 -8.318
266 2HB SER 34 1HB SER 34 -18.435 -1.052 -8.178
267 HG SER 34 HG SER 34 -19.586 -3.019 -8.958
268 H GLY 35 H GLY 35 -21.778 -1.402 -7.370
269 1HA GLY 35 2HA GLY 35 -23.046 -3.469 -6.349
270 2HA GLY 35 1HA GLY 35 -23.027 -2.436 -4.930
271 H GLU 36 H GLU 36 -25.416 -3.181 -5.718
272 HA GLU 36 HA GLU 36 -26.772 -0.776 -6.220
273 1HB GLU 36 2HB GLU 36 -25.806 -1.429 -8.542
274 2HB GLU 36 1HB GLU 36 -27.050 -2.668 -8.539
275 1HG GLU 36 2HG GLU 36 -28.561 -1.188 -9.242
276 2HG GLU 36 1HG GLU 36 -28.260 -0.179 -7.831
277 H CYS 37 H CYS 37 -29.184 -1.363 -6.930
278 HA CYS 37 HA CYS 37 -30.030 -3.372 -5.017
279 1HB CYS 37 2HB CYS 37 -31.085 -0.915 -5.965
280 2HB CYS 37 1HB CYS 37 -32.243 -2.167 -6.395
281 H PHE 38 H PHE 38 -29.888 -5.383 -5.774
282 HA PHE 38 HA PHE 38 -30.691 -5.988 -8.517
283 1HB PHE 38 2HB PHE 38 -29.093 -7.388 -6.417
284 2HB PHE 38 1HB PHE 38 -29.872 -8.359 -7.663
285 HD1 PHE 38 HD1 PHE 38 -27.507 -5.557 -7.128
286 HD2 PHE 38 HD2 PHE 38 -28.942 -8.550 -9.792
287 HE1 PHE 38 HE1 PHE 38 -25.647 -5.076 -8.666
288 HE2 PHE 38 HE2 PHE 38 -27.086 -8.077 -11.333
289 HZ PHE 38 HZ PHE 38 -25.435 -6.338 -10.771
290 H TYR 39 H TYR 39 -32.195 -7.648 -9.017
291 HA TYR 39 HA TYR 39 -34.310 -7.922 -7.010
292 1HB TYR 39 2HB TYR 39 -34.275 -8.361 -9.999
293 2HB TYR 39 1HB TYR 39 -35.650 -8.783 -8.982
294 HD1 TYR 39 HD1 TYR 39 -33.430 -5.865 -9.714
295 HD2 TYR 39 HD2 TYR 39 -37.334 -7.229 -8.720
296 HE1 TYR 39 HE1 TYR 39 -34.276 -3.562 -9.898
297 HE2 TYR 39 HE2 TYR 39 -38.191 -4.933 -8.905
298 HH TYR 39 HH TYR 39 -37.277 -2.731 -10.317
299 H ASP 40 H ASP 40 -35.567 -10.226 -7.908
300 HA ASP 40 HA ASP 40 -33.539 -12.340 -7.620
301 1HB ASP 40 2HB ASP 40 -34.719 -13.441 -5.897
302 2HB ASP 40 1HB ASP 40 -34.697 -11.746 -5.420
303 H GLU 41 H GLU 41 -35.000 -14.561 -7.683
304 HA GLU 41 HA GLU 41 -35.761 -14.743 -10.386
305 1HB GLU 41 2HB GLU 41 -36.051 -17.021 -10.033
306 2HB GLU 41 1HB GLU 41 -34.887 -16.585 -8.790
307 1HG GLU 41 2HG GLU 41 -37.124 -16.231 -7.389
308 2HG GLU 41 1HG GLU 41 -37.711 -17.433 -8.535
309 H LYS 42 H LYS 42 -37.318 -12.811 -8.837
310 HA LYS 42 HA LYS 42 -39.939 -13.665 -9.767
311 1HB LYS 42 2HB LYS 42 -39.939 -14.306 -7.405
312 2HB LYS 42 1HB LYS 42 -39.415 -12.693 -6.948
313 1HG LYS 42 2HG LYS 42 -41.730 -12.830 -6.500
314 2HG LYS 42 1HG LYS 42 -41.537 -11.811 -7.927
315 1HD LYS 42 2HD LYS 42 -41.906 -14.684 -8.491
316 2HD LYS 42 1HD LYS 42 -43.290 -13.892 -7.740
317 1HE LYS 42 2HE LYS 42 -43.600 -12.451 -9.517
318 2HE LYS 42 1HE LYS 42 -41.931 -12.597 -10.063
319 1HZ LYS 42 2HZ LYS 42 -43.372 -15.078 -10.154
320 2HZ LYS 42 1HZ LYS 42 -44.062 -13.885 -11.133
321 3HZ LYS 42 3HZ LYS 42 -42.443 -14.325 -11.350
322 H ARG 43 H ARG 43 -39.032 -11.051 -7.616
323 HA ARG 43 HA ARG 43 -38.528 -9.021 -9.412
324 1HB ARG 43 2HB ARG 43 -40.531 -7.838 -9.730
325 2HB ARG 43 1HB ARG 43 -40.914 -9.495 -10.134
326 1HG ARG 43 2HG ARG 43 -42.568 -9.533 -8.639
327 2HG ARG 43 1HG ARG 43 -41.474 -9.053 -7.347
328 1HD ARG 43 2HD ARG 43 -43.310 -7.461 -7.599
329 2HD ARG 43 1HD ARG 43 -41.753 -6.714 -7.965
330 HE ARG 43 HE ARG 43 -43.353 -7.751 -10.178
331 1HH1 ARG 43 1HH2 ARG 43 -42.071 -5.024 -8.427
332 2HH1 ARG 43 2HH2 ARG 43 -42.398 -3.894 -9.698
333 1HH2 ARG 43 2HH1 ARG 43 -43.786 -6.271 -11.851
334 2HH2 ARG 43 1HH1 ARG 43 -43.374 -4.601 -11.643
335 H ASN 44 H ASN 44 -37.666 -9.858 -6.876
336 HA ASN 44 HA ASN 44 -38.703 -7.935 -4.956
337 1HB ASN 44 2HB ASN 44 -36.516 -10.006 -4.659
338 2HB ASN 44 1HB ASN 44 -37.202 -9.044 -3.353
339 1HD2 ASN 44 2HD2 ASN 44 -40.345 -11.018 -4.649
340 2HD2 ASN 44 1HD2 ASN 44 -39.706 -9.564 -5.328
341 H LEU 45 H LEU 45 -36.475 -7.303 -3.468
342 HA LEU 45 HA LEU 45 -34.498 -6.139 -5.240
343 1HB LEU 45 2HB LEU 45 -36.690 -4.599 -4.022
344 2HB LEU 45 1HB LEU 45 -35.101 -3.892 -3.807
345 HG LEU 45 HG LEU 45 -36.377 -4.593 -6.452
346 1HD1 LEU 45 3HD1 LEU 45 -35.869 -1.944 -5.099
347 2HD1 LEU 45 2HD1 LEU 45 -36.420 -2.144 -6.763
348 3HD1 LEU 45 1HD1 LEU 45 -37.437 -2.682 -5.426
349 1HD2 LEU 45 3HD2 LEU 45 -33.630 -3.809 -5.673
350 2HD2 LEU 45 2HD2 LEU 45 -34.196 -4.760 -7.047
351 3HD2 LEU 45 1HD2 LEU 45 -34.309 -3.000 -7.085
352 H GLN 46 H GLN 46 -32.563 -5.964 -4.308
353 HA GLN 46 HA GLN 46 -32.307 -5.715 -1.428
354 1HB GLN 46 2HB GLN 46 -31.704 -8.203 -2.917
355 2HB GLN 46 1HB GLN 46 -30.467 -7.683 -1.778
356 1HG GLN 46 2HG GLN 46 -33.318 -7.819 -0.907
357 2HG GLN 46 1HG GLN 46 -32.356 -9.293 -1.017
358 1HE2 GLN 46 2HE2 GLN 46 -31.968 -8.224 2.415
359 2HE2 GLN 46 1HE2 GLN 46 -33.164 -8.917 1.379
360 H CYS 47 H CYS 47 -30.491 -4.626 -0.840
361 HA CYS 47 HA CYS 47 -28.989 -3.379 -2.954
362 1HB CYS 47 2HB CYS 47 -29.494 -2.906 -0.122
363 2HB CYS 47 1HB CYS 47 -27.815 -2.601 -0.555
364 H ILE 48 H ILE 48 -27.649 -4.831 -3.926
365 HA ILE 48 HA ILE 48 -25.888 -6.488 -2.323
366 HB ILE 48 HB ILE 48 -26.311 -6.285 -5.292
367 1HG1 ILE 48 2HG1 ILE 48 -26.862 -8.462 -3.266
368 2HG1 ILE 48 1HG1 ILE 48 -28.064 -7.446 -4.052
369 1HG2 ILE 48 1HG2 ILE 48 -24.279 -7.881 -3.752
370 2HG2 ILE 48 3HG2 ILE 48 -24.783 -8.300 -5.390
371 3HG2 ILE 48 2HG2 ILE 48 -24.003 -6.751 -5.078
372 1HD1 ILE 48 3HD1 ILE 48 -26.912 -8.482 -6.219
373 2HD1 ILE 48 2HD1 ILE 48 -26.594 -9.787 -5.076
374 3HD1 ILE 48 1HD1 ILE 48 -28.251 -9.259 -5.376
375 H CYS 49 H CYS 49 -24.048 -5.708 -1.572
376 HA CYS 49 HA CYS 49 -22.716 -3.487 -2.942
377 1HB CYS 49 2HB CYS 49 -22.213 -4.810 -0.262
378 2HB CYS 49 1HB CYS 49 -21.242 -3.492 -0.904
379 H ASP 50 H ASP 50 -21.258 -4.005 -4.464
380 HA ASP 50 HA ASP 50 -20.035 -6.636 -4.487
381 1HB ASP 50 2HB ASP 50 -20.795 -5.923 -6.613
382 2HB ASP 50 1HB ASP 50 -20.050 -4.338 -6.432
383 H TYR 51 H TYR 51 -17.880 -7.095 -4.319
384 HA TYR 51 HA TYR 51 -16.142 -4.910 -3.351
385 1HB TYR 51 2HB TYR 51 -16.594 -7.685 -2.378
386 2HB TYR 51 1HB TYR 51 -14.953 -7.058 -2.275
387 HD1 TYR 51 HD1 TYR 51 -18.458 -6.375 -1.251
388 HD2 TYR 51 HD2 TYR 51 -14.334 -5.602 -0.542
389 HE1 TYR 51 HE1 TYR 51 -19.040 -5.221 0.841
390 HE2 TYR 51 HE2 TYR 51 -14.905 -4.445 1.552
391 HH TYR 51 HH TYR 51 -17.666 -3.243 2.299
392 H CYS 52 H CYS 52 -16.446 -7.652 -5.495
393 HA CYS 52 HA CYS 52 -13.946 -6.871 -6.784
394 1HB CYS 52 2HB CYS 52 -14.062 -9.754 -6.781
395 2HB CYS 52 1HB CYS 52 -12.788 -8.700 -6.178
396 H GLU 53 H GLU 53 -15.264 -6.058 -8.435
397 HA GLU 53 HA GLU 53 -17.188 -7.640 -9.813
398 1HB GLU 53 2HB GLU 53 -17.323 -5.841 -11.376
399 2HB GLU 53 1HB GLU 53 -17.104 -5.124 -9.786
400 1HG GLU 53 2HG GLU 53 -15.283 -5.163 -12.122
401 2HG GLU 53 1HG GLU 53 -15.613 -3.878 -10.963
402 H TYR 54 HN TYR 54 -15.042 -9.248 -9.593
403 HA TYR 54 HA TYR 54 -13.314 -10.326 -10.662
404 1HB TYR 54 2HB TYR 54 -14.517 -11.888 -11.732
405 2HB TYR 54 1HB TYR 54 -15.888 -10.789 -11.725
406 HD1 TYR 54 HD1 TYR 54 -16.317 -9.348 -13.681
407 HD2 TYR 54 HD2 TYR 54 -13.323 -12.365 -13.733
408 HE1 TYR 54 HE1 TYR 54 -16.278 -9.258 -16.145
409 HE2 TYR 54 HE2 TYR 54 -13.270 -12.287 -16.192
410 HH TYR 54 HH TYR 54 -15.235 -11.462 -18.051
No H/Q in entry = 410
Start of MODEL 22
1 HN PCA 1 HN PCA 1 -13.151 -14.649 -5.864
2 HA PCA 1 HA PCA 1 -14.222 -16.899 -6.442
3 1HB PCA 1 1HB PCA 1 -12.877 -18.706 -6.230
4 2HB PCA 1 2HB PCA 1 -12.722 -18.424 -4.481
5 1HG PCA 1 1HG PCA 1 -10.833 -17.785 -6.600
6 2HG PCA 1 2HG PCA 1 -10.630 -17.585 -4.850
7 H ASP 2 H ASP 2 -12.854 -16.133 -3.242
8 HA ASP 2 HA ASP 2 -15.279 -16.895 -1.892
9 1HB ASP 2 2HB ASP 2 -12.594 -15.879 -1.068
10 2HB ASP 2 1HB ASP 2 -13.929 -15.694 0.064
11 H LYS 3 H LYS 3 -15.574 -14.995 0.050
12 HA LYS 3 HA LYS 3 -17.461 -13.338 -0.516
13 1HB LYS 3 2HB LYS 3 -16.942 -12.508 1.500
14 2HB LYS 3 1HB LYS 3 -15.386 -13.305 1.388
15 1HG LYS 3 2HG LYS 3 -14.868 -11.107 1.904
16 2HG LYS 3 1HG LYS 3 -14.581 -11.203 0.171
17 1HD LYS 3 2HD LYS 3 -16.473 -9.939 -0.331
18 2HD LYS 3 1HD LYS 3 -17.243 -10.295 1.214
19 1HE LYS 3 2HE LYS 3 -14.934 -8.441 0.677
20 2HE LYS 3 1HE LYS 3 -16.537 -8.027 1.285
21 1HZ LYS 3 2HZ LYS 3 -15.510 -9.885 3.049
22 2HZ LYS 3 1HZ LYS 3 -14.231 -8.826 2.727
23 3HZ LYS 3 3HZ LYS 3 -15.700 -8.226 3.314
24 H CYS 4 H CYS 4 -18.019 -11.577 -1.649
25 HA CYS 4 HA CYS 4 -16.272 -9.671 -2.745
26 1HB CYS 4 2HB CYS 4 -16.843 -12.058 -4.423
27 2HB CYS 4 1HB CYS 4 -16.912 -10.492 -5.225
28 H LYS 5 H LYS 5 -19.343 -11.204 -2.532
29 HA LYS 5 HA LYS 5 -20.666 -8.682 -3.232
30 1HB LYS 5 2HB LYS 5 -21.694 -11.385 -4.104
31 2HB LYS 5 1HB LYS 5 -22.366 -9.813 -4.512
32 1HG LYS 5 2HG LYS 5 -19.603 -10.664 -5.327
33 2HG LYS 5 1HG LYS 5 -21.033 -10.989 -6.305
34 1HD LYS 5 2HD LYS 5 -21.153 -8.246 -5.622
35 2HD LYS 5 1HD LYS 5 -19.486 -8.562 -6.095
36 1HE LYS 5 2HE LYS 5 -21.964 -9.158 -7.708
37 2HE LYS 5 1HE LYS 5 -20.782 -7.889 -8.024
38 1HZ LYS 5 1HZ LYS 5 -19.181 -9.977 -8.027
39 2HZ LYS 5 3HZ LYS 5 -20.602 -10.759 -8.511
40 3HZ LYS 5 2HZ LYS 5 -19.996 -9.468 -9.419
41 H LYS 6 H LYS 6 -22.116 -8.078 -1.711
42 HA LYS 6 HA LYS 6 -23.456 -10.113 -0.109
43 1HB LYS 6 2HB LYS 6 -21.767 -7.945 1.149
44 2HB LYS 6 1HB LYS 6 -22.823 -9.048 2.021
45 1HG LYS 6 2HG LYS 6 -21.463 -10.936 1.308
46 2HG LYS 6 1HG LYS 6 -20.412 -9.844 0.401
47 1HD LYS 6 2HD LYS 6 -19.495 -8.928 2.316
48 2HD LYS 6 1HD LYS 6 -20.881 -9.367 3.315
49 1HE LYS 6 2HE LYS 6 -19.290 -11.568 2.108
50 2HE LYS 6 1HE LYS 6 -18.570 -10.675 3.446
51 1HZ LYS 6 3HZ LYS 6 -21.317 -11.709 3.680
52 2HZ LYS 6 2HZ LYS 6 -20.003 -12.744 3.932
53 3HZ LYS 6 1HZ LYS 6 -20.195 -11.370 4.900
54 H VAL 7 H VAL 7 -25.516 -9.589 0.187
55 HA VAL 7 HA VAL 7 -26.604 -7.160 -0.745
56 HB VAL 7 HB VAL 7 -28.704 -7.953 -0.131
57 1HG1 VAL 7 1HG1 VAL 7 -26.931 -10.358 -0.513
58 2HG1 VAL 7 3HG1 VAL 7 -28.691 -10.399 -0.607
59 3HG1 VAL 7 2HG1 VAL 7 -27.768 -9.434 -1.757
60 1HG2 VAL 7 1HG2 VAL 7 -27.299 -9.417 2.081
61 2HG2 VAL 7 3HG2 VAL 7 -28.569 -8.199 2.191
62 3HG2 VAL 7 2HG2 VAL 7 -28.948 -9.816 1.598
63 H TYR 8 H TYR 8 -27.792 -5.563 0.512
64 HA TYR 8 HA TYR 8 -26.236 -4.733 2.792
65 1HB TYR 8 2HB TYR 8 -27.033 -3.174 0.985
66 2HB TYR 8 1HB TYR 8 -28.663 -3.382 1.617
67 HD1 TYR 8 HD1 TYR 8 -29.104 -2.722 4.022
68 HD2 TYR 8 HD2 TYR 8 -25.577 -1.593 1.933
69 HE1 TYR 8 HE1 TYR 8 -28.713 -0.930 5.663
70 HE2 TYR 8 HE2 TYR 8 -25.176 0.204 3.562
71 HH TYR 8 HH TYR 8 -27.151 0.546 6.446
72 H GLU 9 H GLU 9 -29.050 -6.478 2.286
73 HA GLU 9 HA GLU 9 -30.944 -6.870 3.601
74 1HB GLU 9 2HB GLU 9 -30.104 -8.109 5.692
75 2HB GLU 9 1HB GLU 9 -29.656 -8.738 4.114
76 1HG GLU 9 2HG GLU 9 -27.458 -8.094 4.327
77 2HG GLU 9 1HG GLU 9 -27.831 -6.841 5.511
78 H ASN 10 H ASN 10 -31.581 -4.659 3.964
79 HA ASN 10 HA ASN 10 -32.373 -4.044 6.472
80 1HB ASN 10 2HB ASN 10 -29.532 -3.414 6.153
81 2HB ASN 10 1HB ASN 10 -30.469 -2.015 6.657
82 1HD2 ASN 10 2HD2 ASN 10 -29.247 -4.120 9.547
83 2HD2 ASN 10 1HD2 ASN 10 -28.468 -3.567 8.108
84 H TYR 11 H TYR 11 -30.924 -2.595 3.607
85 HA TYR 11 HA TYR 11 -32.116 -0.117 3.599
86 1HB TYR 11 2HB TYR 11 -30.610 -1.641 1.814
87 2HB TYR 11 1HB TYR 11 -32.084 -1.282 0.924
88 HD1 TYR 11 HD2 TYR 11 -29.191 0.209 2.664
89 HD2 TYR 11 HD1 TYR 11 -32.527 0.921 0.124
90 HE1 TYR 11 HE2 TYR 11 -28.315 2.449 2.155
91 HE2 TYR 11 HE1 TYR 11 -31.660 3.164 -0.395
92 HH TYR 11 HH TYR 11 -29.456 4.333 -0.388
93 HA PRO 12 HA PRO 12 -36.382 -1.620 3.149
94 1HB PRO 12 2HB PRO 12 -37.637 0.555 4.087
95 2HB PRO 12 1HB PRO 12 -36.805 -0.572 5.164
96 1HG PRO 12 2HG PRO 12 -35.921 2.097 4.161
97 2HG PRO 12 1HG PRO 12 -35.710 1.374 5.764
98 1HD PRO 12 2HD PRO 12 -33.773 1.442 3.780
99 2HD PRO 12 1HD PRO 12 -33.788 0.313 5.149
100 H VAL 13 H VAL 13 -35.612 -1.346 0.790
101 HA VAL 13 HA VAL 13 -35.631 -0.133 -1.241
102 HB VAL 13 HB VAL 13 -38.577 -0.510 -0.821
103 1HG1 VAL 13 3HG1 VAL 13 -37.632 0.362 -2.978
104 2HG1 VAL 13 2HG1 VAL 13 -36.838 -1.200 -3.177
105 3HG1 VAL 13 1HG1 VAL 13 -38.598 -1.107 -3.122
106 1HG2 VAL 13 2HG2 VAL 13 -37.501 -2.434 0.221
107 2HG2 VAL 13 1HG2 VAL 13 -38.299 -2.899 -1.281
108 3HG2 VAL 13 3HG2 VAL 13 -36.547 -2.703 -1.237
109 H SER 14 H SER 14 -35.385 1.880 0.616
110 HA SER 14 HA SER 14 -37.480 3.781 0.557
111 1HB SER 14 2HB SER 14 -36.078 5.140 1.786
112 2HB SER 14 1HB SER 14 -35.342 3.568 2.098
113 HG SER 14 HG SER 14 -34.394 5.715 0.637
114 H LYS 15 H LYS 15 -35.458 2.756 -1.900
115 HA LYS 15 HA LYS 15 -36.382 4.725 -3.704
116 1HB LYS 15 2HB LYS 15 -34.683 6.061 -2.442
117 2HB LYS 15 1HB LYS 15 -33.450 4.949 -3.007
118 1HG LYS 15 2HG LYS 15 -33.325 6.797 -4.439
119 2HG LYS 15 1HG LYS 15 -34.167 5.550 -5.359
120 1HD LYS 15 2HD LYS 15 -36.166 6.666 -5.308
121 2HD LYS 15 1HD LYS 15 -35.807 7.472 -3.781
122 1HE LYS 15 2HE LYS 15 -34.414 9.058 -4.827
123 2HE LYS 15 1HE LYS 15 -34.335 8.120 -6.317
124 1HZ LYS 15 2HZ LYS 15 -36.789 9.420 -5.266
125 2HZ LYS 15 1HZ LYS 15 -35.809 10.054 -6.489
126 3HZ LYS 15 3HZ LYS 15 -36.639 8.602 -6.739
127 H CYS 16 H CYS 16 -33.096 3.496 -3.854
128 HA CYS 16 HA CYS 16 -32.173 2.407 -5.699
129 1HB CYS 16 2HB CYS 16 -33.383 0.717 -3.689
130 2HB CYS 16 1HB CYS 16 -33.334 -0.119 -5.237
131 H GLN 17 H GLN 17 -32.889 3.110 -7.652
132 HA GLN 17 HA GLN 17 -34.954 1.488 -8.935
133 1HB GLN 17 2HB GLN 17 -34.990 4.478 -9.265
134 2HB GLN 17 1HB GLN 17 -36.217 3.312 -9.741
135 1HG GLN 17 2HG GLN 17 -36.541 2.834 -7.288
136 2HG GLN 17 1HG GLN 17 -35.526 4.241 -6.970
137 1HE2 GLN 17 2HE2 GLN 17 -38.106 6.227 -8.885
138 2HE2 GLN 17 1HE2 GLN 17 -36.519 5.682 -9.298
139 H LEU 18 H LEU 18 -31.919 2.629 -8.974
140 HA LEU 18 HA LEU 18 -31.488 1.955 -11.718
141 1HB LEU 18 2HB LEU 18 -31.511 4.813 -10.853
142 2HB LEU 18 1HB LEU 18 -30.270 4.321 -11.987
143 HG LEU 18 HG LEU 18 -33.254 4.286 -12.401
144 1HD1 LEU 18 1HD1 LEU 18 -31.998 6.421 -12.678
145 2HD1 LEU 18 3HD1 LEU 18 -31.068 5.644 -13.959
146 3HD1 LEU 18 2HD1 LEU 18 -32.809 5.857 -14.138
147 1HD2 LEU 18 2HD2 LEU 18 -31.095 2.820 -13.829
148 2HD2 LEU 18 1HD2 LEU 18 -32.778 2.368 -13.551
149 3HD2 LEU 18 3HD2 LEU 18 -32.376 3.554 -14.794
150 H ALA 19 H ALA 19 -29.653 4.296 -9.814
151 HA ALA 19 HA ALA 19 -27.918 2.577 -8.492
152 1HB ALA 19 1HB ALA 19 -27.168 3.131 -11.330
153 2HB ALA 19 3HB ALA 19 -25.907 2.959 -10.110
154 3HB ALA 19 2HB ALA 19 -27.036 1.635 -10.405
155 H ASN 20 H ASN 20 -27.485 3.970 -6.904
156 HA ASN 20 HA ASN 20 -25.750 6.136 -7.231
157 1HB ASN 20 2HB ASN 20 -27.451 7.389 -8.288
158 2HB ASN 20 1HB ASN 20 -28.678 6.834 -7.152
159 1HD2 ASN 20 2HD2 ASN 20 -25.988 9.323 -5.397
160 2HD2 ASN 20 1HD2 ASN 20 -25.489 7.874 -6.194
161 H GLN 21 H GLN 21 -28.635 6.247 -5.200
162 HA GLN 21 HA GLN 21 -27.416 6.832 -2.839
163 1HB GLN 21 2HB GLN 21 -29.950 6.521 -3.490
164 2HB GLN 21 1HB GLN 21 -29.722 4.931 -2.775
165 1HG GLN 21 2HG GLN 21 -30.509 6.172 -1.004
166 2HG GLN 21 1HG GLN 21 -28.764 6.231 -0.761
167 1HE2 GLN 21 2HE2 GLN 21 -28.467 9.671 -1.352
168 2HE2 GLN 21 1HE2 GLN 21 -27.646 8.153 -1.281
169 H CYS 22 H CYS 22 -28.645 3.528 -3.389
170 HA CYS 22 HA CYS 22 -27.085 2.377 -1.381
171 1HB CYS 22 2HB CYS 22 -28.801 1.402 -3.558
172 2HB CYS 22 1HB CYS 22 -27.553 0.264 -3.059
173 H ASN 23 H ASN 23 -26.422 2.747 -4.845
174 HA ASN 23 HA ASN 23 -24.158 1.152 -5.053
175 1HB ASN 23 2HB ASN 23 -25.206 2.250 -6.991
176 2HB ASN 23 1HB ASN 23 -24.669 3.819 -6.399
177 1HD2 ASN 23 2HD2 ASN 23 -22.372 2.326 -9.003
178 2HD2 ASN 23 1HD2 ASN 23 -24.093 2.444 -8.910
179 H TYR 24 H TYR 24 -24.119 4.682 -4.620
180 HA TYR 24 HA TYR 24 -21.459 4.946 -3.903
181 1HB TYR 24 2HB TYR 24 -22.100 7.100 -3.954
182 2HB TYR 24 1HB TYR 24 -23.785 6.605 -3.962
183 HD1 TYR 24 HD1 TYR 24 -21.014 6.752 -1.482
184 HD2 TYR 24 HD2 TYR 24 -25.086 7.612 -2.351
185 HE1 TYR 24 HE1 TYR 24 -21.278 7.703 0.755
186 HE2 TYR 24 HE2 TYR 24 -25.365 8.574 -0.104
187 HH TYR 24 HH TYR 24 -23.576 8.031 2.370
188 H ASP 25 H ASP 25 -24.274 4.259 -1.852
189 HA ASP 25 HA ASP 25 -23.092 4.446 0.633
190 1HB ASP 25 2HB ASP 25 -25.107 2.366 -0.243
191 2HB ASP 25 1HB ASP 25 -24.743 2.799 1.421
192 H CYS 26 H CYS 26 -23.368 1.411 -1.276
193 HA CYS 26 HA CYS 26 -21.659 -0.081 0.358
194 1HB CYS 26 2HB CYS 26 -21.887 -0.325 -2.655
195 2HB CYS 26 1HB CYS 26 -21.333 -1.569 -1.544
196 H LYS 27 H LYS 27 -20.987 1.829 -2.534
197 HA LYS 27 HA LYS 27 -18.196 1.500 -2.545
198 1HB LYS 27 2HB LYS 27 -20.181 2.819 -4.097
199 2HB LYS 27 1HB LYS 27 -18.964 4.022 -3.718
200 1HG LYS 27 2HG LYS 27 -17.879 1.456 -4.694
201 2HG LYS 27 1HG LYS 27 -18.877 2.329 -5.849
202 1HD LYS 27 2HD LYS 27 -16.603 3.001 -6.158
203 2HD LYS 27 1HD LYS 27 -17.493 4.348 -5.450
204 1HE LYS 27 2HE LYS 27 -16.484 2.887 -3.272
205 2HE LYS 27 1HE LYS 27 -15.168 2.963 -4.440
206 1HZ LYS 27 3HZ LYS 27 -16.474 5.479 -4.198
207 2HZ LYS 27 2HZ LYS 27 -15.927 4.940 -2.690
208 3HZ LYS 27 1HZ LYS 27 -14.840 5.091 -3.978
209 H LEU 28 H LEU 28 -19.564 2.561 0.063
210 HA LEU 28 HA LEU 28 -17.359 4.246 0.773
211 1HB LEU 28 2HB LEU 28 -18.781 5.825 -0.485
212 2HB LEU 28 1HB LEU 28 -20.086 5.528 0.645
213 HG LEU 28 HG LEU 28 -18.723 7.663 0.962
214 1HD1 LEU 28 1HD1 LEU 28 -20.200 6.416 2.699
215 2HD1 LEU 28 3HD1 LEU 28 -18.656 5.999 3.443
216 3HD1 LEU 28 2HD1 LEU 28 -19.107 7.689 3.238
217 1HD2 LEU 28 1HD2 LEU 28 -16.540 6.389 0.625
218 2HD2 LEU 28 3HD2 LEU 28 -16.597 7.569 1.935
219 3HD2 LEU 28 2HD2 LEU 28 -16.741 5.847 2.290
220 H ASP 29 H ASP 29 -20.733 3.602 1.739
221 HA ASP 29 HA ASP 29 -20.210 3.811 4.514
222 1HB ASP 29 2HB ASP 29 -22.476 2.746 2.867
223 2HB ASP 29 1HB ASP 29 -22.453 2.460 4.604
224 H LYS 30 H LYS 30 -19.429 1.413 2.284
225 HA LYS 30 HA LYS 30 -18.790 -0.448 4.458
226 1HB LYS 30 2HB LYS 30 -20.312 -1.117 1.942
227 2HB LYS 30 1HB LYS 30 -19.458 -2.338 2.875
228 1HG LYS 30 2HG LYS 30 -20.861 -1.339 4.860
229 2HG LYS 30 1HG LYS 30 -21.916 -0.808 3.549
230 1HD LYS 30 2HD LYS 30 -21.830 -3.220 2.725
231 2HD LYS 30 1HD LYS 30 -21.127 -3.612 4.296
232 1HE LYS 30 2HE LYS 30 -23.871 -2.626 3.636
233 2HE LYS 30 1HE LYS 30 -23.386 -3.987 4.647
234 1HZ LYS 30 1HZ LYS 30 -22.410 -2.223 6.174
235 2HZ LYS 30 3HZ LYS 30 -23.336 -1.106 5.303
236 3HZ LYS 30 2HZ LYS 30 -24.095 -2.364 6.138
237 H HIS 31 H HIS 31 -17.262 1.455 2.778
238 HA HIS 31 HA HIS 31 -15.478 1.512 1.308
239 1HB HIS 31 2HB HIS 31 -13.843 -0.475 2.418
240 2HB HIS 31 1HB HIS 31 -13.942 1.203 2.934
241 HD1 HIS 31 HD1 HIS 31 -13.882 -1.904 4.425
242 HD2 HIS 31 HD2 HIS 31 -16.498 1.303 4.769
243 HE1 HIS 31 HE1 HIS 31 -15.033 -2.212 6.639
244 HE2 HIS 31 HE2 HIS 31 -16.544 -0.208 6.866
245 H ALA 32 H ALA 32 -17.537 -0.049 0.225
246 HA ALA 32 HA ALA 32 -16.396 -2.508 -0.780
247 1HB ALA 32 3HB ALA 32 -18.917 -1.870 -0.265
248 2HB ALA 32 2HB ALA 32 -18.879 -1.361 -1.953
249 3HB ALA 32 1HB ALA 32 -18.495 -3.027 -1.523
250 H ARG 33 H ARG 33 -16.779 -2.825 -3.295
251 HA ARG 33 HA ARG 33 -15.162 -0.761 -4.579
252 1HB ARG 33 2HB ARG 33 -14.425 -3.068 -4.849
253 2HB ARG 33 1HB ARG 33 -15.989 -3.515 -5.518
254 1HG ARG 33 2HG ARG 33 -15.588 -2.457 -7.527
255 2HG ARG 33 1HG ARG 33 -14.381 -1.373 -6.835
256 1HD ARG 33 2HD ARG 33 -13.970 -4.338 -7.080
257 2HD ARG 33 1HD ARG 33 -13.510 -3.205 -8.346
258 HE ARG 33 HE ARG 33 -12.375 -2.319 -5.961
259 1HH1 ARG 33 1HH2 ARG 33 -12.138 -5.034 -8.128
260 2HH1 ARG 33 2HH2 ARG 33 -10.474 -5.346 -7.764
261 1HH2 ARG 33 2HH1 ARG 33 -10.181 -2.719 -5.475
262 2HH2 ARG 33 1HH1 ARG 33 -9.360 -4.028 -6.256
263 H SER 34 H SER 34 -18.369 -2.074 -4.602
264 HA SER 34 HA SER 34 -19.527 0.099 -5.896
265 1HB SER 34 2HB SER 34 -20.154 -1.136 -8.076
266 2HB SER 34 1HB SER 34 -18.530 -0.458 -7.959
267 HG SER 34 HG SER 34 -17.701 -2.417 -7.885
268 H GLY 35 H GLY 35 -21.679 -1.087 -7.211
269 1HA GLY 35 2HA GLY 35 -22.822 -3.305 -5.967
270 2HA GLY 35 1HA GLY 35 -23.269 -1.895 -5.019
271 H GLU 36 H GLU 36 -25.397 -2.972 -5.850
272 HA GLU 36 HA GLU 36 -26.589 -1.159 -7.642
273 1HB GLU 36 2HB GLU 36 -25.184 -2.744 -9.164
274 2HB GLU 36 1HB GLU 36 -26.469 -3.902 -8.846
275 1HG GLU 36 2HG GLU 36 -27.844 -1.615 -9.560
276 2HG GLU 36 1HG GLU 36 -26.440 -1.591 -10.624
277 H CYS 37 H CYS 37 -28.861 -1.588 -7.987
278 HA CYS 37 HA CYS 37 -29.988 -3.109 -5.778
279 1HB CYS 37 2HB CYS 37 -31.570 -1.475 -7.741
280 2HB CYS 37 1HB CYS 37 -31.939 -1.838 -6.059
281 H PHE 38 H PHE 38 -30.200 -5.232 -6.205
282 HA PHE 38 HA PHE 38 -31.209 -6.085 -8.826
283 1HB PHE 38 2HB PHE 38 -29.743 -7.429 -6.595
284 2HB PHE 38 1HB PHE 38 -30.785 -8.419 -7.610
285 HD1 PHE 38 HD2 PHE 38 -28.036 -5.920 -7.840
286 HD2 PHE 38 HD1 PHE 38 -29.959 -9.298 -9.575
287 HE1 PHE 38 HE2 PHE 38 -26.247 -6.070 -9.522
288 HE2 PHE 38 HE1 PHE 38 -28.173 -9.453 -11.260
289 HZ PHE 38 HZ PHE 38 -26.315 -7.837 -11.236
290 H TYR 39 H TYR 39 -32.801 -8.018 -8.673
291 HA TYR 39 HA TYR 39 -34.964 -7.170 -6.884
292 1HB TYR 39 2HB TYR 39 -34.845 -8.348 -9.580
293 2HB TYR 39 1HB TYR 39 -36.129 -8.983 -8.555
294 HD1 TYR 39 HD1 TYR 39 -37.854 -7.451 -7.641
295 HD2 TYR 39 HD2 TYR 39 -34.941 -6.137 -10.458
296 HE1 TYR 39 HE1 TYR 39 -39.227 -5.470 -8.131
297 HE2 TYR 39 HE2 TYR 39 -36.310 -4.152 -10.952
298 HH TYR 39 HH TYR 39 -38.891 -3.598 -10.764
299 H ASP 40 H ASP 40 -32.595 -9.498 -7.066
300 HA ASP 40 HA ASP 40 -32.228 -11.511 -6.070
301 1HB ASP 40 2HB ASP 40 -33.511 -11.666 -3.763
302 2HB ASP 40 1HB ASP 40 -32.194 -10.523 -3.996
303 H GLU 41 H GLU 41 -33.139 -13.585 -5.380
304 HA GLU 41 HA GLU 41 -35.160 -14.441 -7.137
305 1HB GLU 41 2HB GLU 41 -33.877 -15.756 -4.744
306 2HB GLU 41 1HB GLU 41 -35.078 -16.567 -5.739
307 1HG GLU 41 2HG GLU 41 -33.631 -16.308 -7.691
308 2HG GLU 41 1HG GLU 41 -32.425 -15.509 -6.686
309 H LYS 42 H LYS 42 -35.664 -12.439 -4.702
310 HA LYS 42 HA LYS 42 -38.114 -13.753 -3.733
311 1HB LYS 42 2HB LYS 42 -36.209 -11.812 -2.563
312 2HB LYS 42 1HB LYS 42 -37.903 -11.544 -2.177
313 1HG LYS 42 2HG LYS 42 -36.640 -14.238 -1.832
314 2HG LYS 42 1HG LYS 42 -36.503 -12.990 -0.593
315 1HD LYS 42 2HD LYS 42 -39.173 -13.766 -1.719
316 2HD LYS 42 1HD LYS 42 -38.428 -14.698 -0.419
317 1HE LYS 42 2HE LYS 42 -39.267 -11.811 -0.398
318 2HE LYS 42 1HE LYS 42 -39.855 -13.126 0.618
319 1HZ LYS 42 3HZ LYS 42 -37.199 -13.101 1.130
320 2HZ LYS 42 2HZ LYS 42 -37.540 -11.454 0.946
321 3HZ LYS 42 1HZ LYS 42 -38.383 -12.369 2.092
322 H ARG 43 H ARG 43 -36.898 -11.155 -5.628
323 HA ARG 43 HA ARG 43 -37.910 -9.635 -6.976
324 1HB ARG 43 2HB ARG 43 -39.390 -11.654 -7.454
325 2HB ARG 43 1HB ARG 43 -40.538 -10.962 -6.319
326 1HG ARG 43 2HG ARG 43 -41.268 -9.438 -7.800
327 2HG ARG 43 1HG ARG 43 -39.637 -9.064 -8.353
328 1HD ARG 43 2HD ARG 43 -40.856 -9.971 -10.196
329 2HD ARG 43 1HD ARG 43 -39.674 -11.172 -9.680
330 HE ARG 43 HE ARG 43 -42.050 -11.733 -8.352
331 1HH1 ARG 43 1HH2 ARG 43 -40.848 -11.632 -11.615
332 2HH1 ARG 43 2HH2 ARG 43 -41.936 -12.848 -12.195
333 1HH2 ARG 43 2HH1 ARG 43 -43.495 -13.340 -9.104
334 2HH2 ARG 43 1HH1 ARG 43 -43.440 -13.820 -10.767
335 H ASN 44 H ASN 44 -37.303 -8.678 -4.571
336 HA ASN 44 HA ASN 44 -39.566 -6.895 -3.998
337 1HB ASN 44 2HB ASN 44 -38.517 -8.913 -2.205
338 2HB ASN 44 1HB ASN 44 -38.328 -7.313 -1.499
339 1HD2 ASN 44 2HD2 ASN 44 -42.115 -8.615 -2.376
340 2HD2 ASN 44 1HD2 ASN 44 -40.785 -9.059 -3.385
341 H LEU 45 H LEU 45 -36.687 -6.942 -5.190
342 HA LEU 45 HA LEU 45 -35.034 -5.421 -5.491
343 1HB LEU 45 2HB LEU 45 -37.261 -3.940 -5.114
344 2HB LEU 45 1HB LEU 45 -36.252 -3.320 -3.820
345 HG LEU 45 HG LEU 45 -34.470 -2.849 -5.507
346 1HD1 LEU 45 2HD1 LEU 45 -36.509 -4.058 -7.292
347 2HD1 LEU 45 1HD1 LEU 45 -35.589 -2.688 -7.914
348 3HD1 LEU 45 3HD1 LEU 45 -34.749 -4.136 -7.359
349 1HD2 LEU 45 3HD2 LEU 45 -37.130 -1.532 -5.453
350 2HD2 LEU 45 2HD2 LEU 45 -35.541 -0.901 -5.024
351 3HD2 LEU 45 1HD2 LEU 45 -36.004 -1.039 -6.719
352 H GLN 46 H GLN 46 -33.116 -5.526 -4.606
353 HA GLN 46 HA GLN 46 -32.733 -4.899 -1.781
354 1HB GLN 46 2HB GLN 46 -31.935 -7.497 -3.092
355 2HB GLN 46 1HB GLN 46 -31.147 -6.907 -1.635
356 1HG GLN 46 2HG GLN 46 -34.066 -6.934 -1.462
357 2HG GLN 46 1HG GLN 46 -33.356 -8.528 -1.702
358 1HE2 GLN 46 2HE2 GLN 46 -33.174 -8.619 1.784
359 2HE2 GLN 46 1HE2 GLN 46 -33.994 -9.168 0.365
360 H CYS 47 H CYS 47 -30.517 -4.358 -1.274
361 HA CYS 47 HA CYS 47 -29.114 -3.284 -3.613
362 1HB CYS 47 2HB CYS 47 -28.869 -2.661 -0.669
363 2HB CYS 47 1HB CYS 47 -27.861 -1.936 -1.916
364 H ILE 48 H ILE 48 -27.557 -4.475 -4.446
365 HA ILE 48 HA ILE 48 -26.077 -6.364 -2.794
366 HB ILE 48 HB ILE 48 -26.205 -5.923 -5.767
367 1HG1 ILE 48 2HG1 ILE 48 -27.943 -7.253 -4.289
368 2HG1 ILE 48 1HG1 ILE 48 -27.435 -7.870 -5.858
369 1HG2 ILE 48 2HG2 ILE 48 -24.296 -7.609 -4.179
370 2HG2 ILE 48 1HG2 ILE 48 -24.725 -8.010 -5.842
371 3HG2 ILE 48 3HG2 ILE 48 -23.949 -6.469 -5.479
372 1HD1 ILE 48 1HD1 ILE 48 -26.202 -8.702 -3.246
373 2HD1 ILE 48 3HD1 ILE 48 -27.508 -9.571 -4.052
374 3HD1 ILE 48 2HD1 ILE 48 -25.934 -9.418 -4.835
375 H CYS 49 H CYS 49 -24.248 -5.760 -1.834
376 HA CYS 49 HA CYS 49 -22.723 -3.497 -2.901
377 1HB CYS 49 2HB CYS 49 -22.546 -4.988 -0.276
378 2HB CYS 49 1HB CYS 49 -21.448 -3.698 -0.743
379 H ASP 50 H ASP 50 -21.221 -3.984 -4.354
380 HA ASP 50 HA ASP 50 -19.894 -6.593 -4.288
381 1HB ASP 50 2HB ASP 50 -20.644 -6.105 -6.463
382 2HB ASP 50 1HB ASP 50 -20.137 -4.423 -6.359
383 H TYR 51 H TYR 51 -17.625 -6.793 -4.449
384 HA TYR 51 HA TYR 51 -16.095 -4.472 -3.465
385 1HB TYR 51 2HB TYR 51 -15.978 -7.320 -2.498
386 2HB TYR 51 1HB TYR 51 -14.832 -6.071 -2.026
387 HD1 TYR 51 HD2 TYR 51 -18.402 -7.056 -1.878
388 HD2 TYR 51 HD1 TYR 51 -15.341 -4.587 -0.259
389 HE1 TYR 51 HE2 TYR 51 -19.898 -6.426 -0.033
390 HE2 TYR 51 HE1 TYR 51 -16.828 -3.950 1.594
391 HH TYR 51 HH TYR 51 -20.098 -5.310 1.873
392 H CYS 52 H CYS 52 -16.275 -7.269 -5.501
393 HA CYS 52 HA CYS 52 -13.695 -6.541 -6.693
394 1HB CYS 52 2HB CYS 52 -14.041 -9.421 -6.756
395 2HB CYS 52 1HB CYS 52 -12.682 -8.475 -6.160
396 H GLU 53 H GLU 53 -16.241 -9.003 -7.131
397 HA GLU 53 HA GLU 53 -17.763 -9.216 -8.859
398 1HB GLU 53 2HB GLU 53 -17.141 -6.680 -9.288
399 2HB GLU 53 1HB GLU 53 -16.253 -7.359 -10.647
400 1HG GLU 53 2HG GLU 53 -18.380 -8.492 -11.343
401 2HG GLU 53 1HG GLU 53 -19.202 -7.547 -10.101
402 H TYR 54 HN TYR 54 -14.439 -9.643 -8.881
403 HA TYR 54 HA TYR 54 -14.677 -11.813 -10.791
404 1HB TYR 54 2HB TYR 54 -12.708 -9.553 -11.202
405 2HB TYR 54 1HB TYR 54 -12.689 -11.076 -12.086
406 HD1 TYR 54 HD1 TYR 54 -15.237 -11.636 -13.017
407 HD2 TYR 54 HD2 TYR 54 -13.531 -7.785 -12.419
408 HE1 TYR 54 HE1 TYR 54 -16.788 -10.698 -14.678
409 HE2 TYR 54 HE2 TYR 54 -15.078 -6.835 -14.077
410 HH TYR 54 HH TYR 54 -16.541 -8.316 -16.289
No H/Q in entry = 410
Start of MODEL 23
1 HN PCA 1 HN PCA 1 -19.844 -18.921 -6.602
2 HA PCA 1 HA PCA 1 -18.767 -19.999 -4.532
3 1HB PCA 1 1HB PCA 1 -17.131 -21.515 -4.931
4 2HB PCA 1 2HB PCA 1 -16.170 -20.316 -5.829
5 1HG PCA 1 1HG PCA 1 -17.966 -22.385 -6.859
6 2HG PCA 1 2HG PCA 1 -16.852 -21.336 -7.756
7 H ASP 2 H ASP 2 -17.104 -18.115 -7.047
8 HA ASP 2 HA ASP 2 -15.937 -16.361 -5.040
9 1HB ASP 2 2HB ASP 2 -14.698 -15.373 -6.857
10 2HB ASP 2 1HB ASP 2 -14.622 -17.124 -7.027
11 H LYS 3 H LYS 3 -18.218 -15.743 -4.410
12 HA LYS 3 HA LYS 3 -19.300 -13.648 -6.182
13 1HB LYS 3 2HB LYS 3 -20.562 -15.385 -4.076
14 2HB LYS 3 1HB LYS 3 -21.323 -13.888 -4.590
15 1HG LYS 3 2HG LYS 3 -20.572 -15.468 -6.888
16 2HG LYS 3 1HG LYS 3 -21.565 -16.420 -5.784
17 1HD LYS 3 2HD LYS 3 -22.336 -13.648 -6.674
18 2HD LYS 3 1HD LYS 3 -22.789 -15.094 -7.578
19 1HE LYS 3 2HE LYS 3 -23.545 -14.382 -4.750
20 2HE LYS 3 1HE LYS 3 -24.614 -14.515 -6.145
21 1HZ LYS 3 1HZ LYS 3 -24.112 -16.886 -6.240
22 2HZ LYS 3 3HZ LYS 3 -23.118 -16.746 -4.878
23 3HZ LYS 3 2HZ LYS 3 -24.779 -16.462 -4.746
24 H CYS 4 H CYS 4 -18.028 -11.945 -5.597
25 HA CYS 4 HA CYS 4 -17.612 -11.208 -2.853
26 1HB CYS 4 2HB CYS 4 -16.478 -10.581 -5.355
27 2HB CYS 4 1HB CYS 4 -17.066 -9.055 -4.699
28 H LYS 5 H LYS 5 -20.340 -11.288 -4.368
29 HA LYS 5 HA LYS 5 -21.281 -8.580 -3.782
30 1HB LYS 5 2HB LYS 5 -23.061 -10.720 -4.867
31 2HB LYS 5 1HB LYS 5 -23.064 -8.995 -5.183
32 1HG LYS 5 2HG LYS 5 -20.907 -9.348 -6.443
33 2HG LYS 5 1HG LYS 5 -21.245 -11.079 -6.325
34 1HD LYS 5 2HD LYS 5 -23.309 -10.821 -7.509
35 2HD LYS 5 1HD LYS 5 -23.170 -9.064 -7.468
36 1HE LYS 5 2HE LYS 5 -21.050 -9.316 -8.801
37 2HE LYS 5 1HE LYS 5 -21.471 -11.017 -9.003
38 1HZ LYS 5 1HZ LYS 5 -23.663 -10.142 -9.907
39 2HZ LYS 5 3HZ LYS 5 -22.896 -8.639 -10.028
40 3HZ LYS 5 2HZ LYS 5 -22.301 -9.965 -10.894
41 H LYS 6 H LYS 6 -22.210 -8.154 -1.872
42 HA LYS 6 HA LYS 6 -23.744 -10.279 -0.546
43 1HB LYS 6 2HB LYS 6 -22.318 -8.602 1.378
44 2HB LYS 6 1HB LYS 6 -22.440 -10.354 1.288
45 1HG LYS 6 2HG LYS 6 -20.713 -10.153 -0.614
46 2HG LYS 6 1HG LYS 6 -20.427 -8.538 0.030
47 1HD LYS 6 2HD LYS 6 -20.139 -11.163 1.473
48 2HD LYS 6 1HD LYS 6 -18.853 -10.051 1.008
49 1HE LYS 6 2HE LYS 6 -19.110 -9.500 3.221
50 2HE LYS 6 1HE LYS 6 -20.216 -8.353 2.467
51 1HZ LYS 6 2HZ LYS 6 -21.755 -10.553 2.886
52 2HZ LYS 6 1HZ LYS 6 -20.776 -10.514 4.264
53 3HZ LYS 6 3HZ LYS 6 -21.725 -9.171 3.861
54 H VAL 7 H VAL 7 -25.679 -9.641 0.047
55 HA VAL 7 HA VAL 7 -26.646 -7.041 -0.410
56 HB VAL 7 HB VAL 7 -28.671 -7.980 -0.131
57 1HG1 VAL 7 3HG1 VAL 7 -27.260 -9.845 -1.069
58 2HG1 VAL 7 2HG1 VAL 7 -27.248 -10.538 0.553
59 3HG1 VAL 7 1HG1 VAL 7 -28.774 -10.333 -0.308
60 1HG2 VAL 7 2HG2 VAL 7 -27.703 -9.013 2.535
61 2HG2 VAL 7 1HG2 VAL 7 -28.762 -7.635 2.235
62 3HG2 VAL 7 3HG2 VAL 7 -29.331 -9.273 1.913
63 H TYR 8 H TYR 8 -27.346 -5.429 1.012
64 HA TYR 8 HA TYR 8 -25.621 -4.745 3.055
65 1HB TYR 8 2HB TYR 8 -27.438 -3.370 1.792
66 2HB TYR 8 1HB TYR 8 -28.490 -3.839 3.109
67 HD1 TYR 8 HD2 TYR 8 -26.515 -3.677 5.397
68 HD2 TYR 8 HD1 TYR 8 -27.215 -1.082 2.097
69 HE1 TYR 8 HE2 TYR 8 -25.650 -1.790 6.705
70 HE2 TYR 8 HE1 TYR 8 -26.350 0.814 3.400
71 HH TYR 8 HH TYR 8 -24.564 0.498 6.145
72 H GLU 9 H GLU 9 -28.820 -4.829 4.351
73 HA GLU 9 HA GLU 9 -28.884 -7.275 5.616
74 1HB GLU 9 2HB GLU 9 -26.959 -5.462 6.769
75 2HB GLU 9 1HB GLU 9 -28.216 -5.811 7.948
76 1HG GLU 9 2HG GLU 9 -26.892 -8.013 6.425
77 2HG GLU 9 1HG GLU 9 -26.132 -7.312 7.852
78 H ASN 10 H ASN 10 -29.904 -4.061 5.251
79 HA ASN 10 HA ASN 10 -32.560 -4.586 5.989
80 1HB ASN 10 2HB ASN 10 -31.267 -4.429 8.264
81 2HB ASN 10 1HB ASN 10 -31.300 -2.700 7.951
82 1HD2 ASN 10 2HD2 ASN 10 -34.208 -3.227 9.980
83 2HD2 ASN 10 1HD2 ASN 10 -32.489 -3.139 10.107
84 H TYR 11 H TYR 11 -30.666 -3.153 4.085
85 HA TYR 11 HA TYR 11 -31.022 -0.406 4.160
86 1HB TYR 11 2HB TYR 11 -29.508 -1.630 2.609
87 2HB TYR 11 1HB TYR 11 -30.919 -2.124 1.678
88 HD1 TYR 11 HD2 TYR 11 -29.429 1.023 3.046
89 HD2 TYR 11 HD1 TYR 11 -31.406 -0.887 -0.200
90 HE1 TYR 11 HE2 TYR 11 -29.295 3.105 1.748
91 HE2 TYR 11 HE1 TYR 11 -31.276 1.190 -1.511
92 HH TYR 11 HH TYR 11 -29.284 3.642 -0.871
93 HA PRO 12 HA PRO 12 -35.554 -0.214 3.884
94 1HB PRO 12 2HB PRO 12 -34.776 2.509 2.914
95 2HB PRO 12 1HB PRO 12 -36.031 2.045 4.069
96 1HG PRO 12 2HG PRO 12 -33.708 3.056 4.900
97 2HG PRO 12 1HG PRO 12 -34.523 1.762 5.800
98 1HD PRO 12 2HD PRO 12 -32.096 1.642 4.095
99 2HD PRO 12 1HD PRO 12 -32.553 0.641 5.486
100 H VAL 13 H VAL 13 -35.943 -1.567 2.127
101 HA VAL 13 HA VAL 13 -35.113 -1.201 -0.495
102 HB VAL 13 HB VAL 13 -37.824 -2.294 -0.401
103 1HG1 VAL 13 2HG1 VAL 13 -36.115 -2.755 -2.130
104 2HG1 VAL 13 1HG1 VAL 13 -35.169 -3.623 -0.922
105 3HG1 VAL 13 3HG1 VAL 13 -36.761 -4.219 -1.389
106 1HG2 VAL 13 2HG2 VAL 13 -35.805 -3.375 1.559
107 2HG2 VAL 13 1HG2 VAL 13 -37.411 -2.738 1.919
108 3HG2 VAL 13 3HG2 VAL 13 -37.241 -4.249 1.024
109 H SER 14 H SER 14 -35.231 0.924 -1.149
110 HA SER 14 HA SER 14 -37.599 1.760 -2.417
111 1HB SER 14 2HB SER 14 -38.621 3.164 -0.960
112 2HB SER 14 1HB SER 14 -37.714 2.296 0.282
113 HG SER 14 HG SER 14 -37.245 4.420 0.577
114 H LYS 15 H LYS 15 -37.016 3.024 -4.050
115 HA LYS 15 HA LYS 15 -35.968 4.791 -5.140
116 1HB LYS 15 2HB LYS 15 -35.193 5.504 -2.736
117 2HB LYS 15 1HB LYS 15 -33.669 4.770 -3.220
118 1HG LYS 15 2HG LYS 15 -33.355 6.974 -3.795
119 2HG LYS 15 1HG LYS 15 -33.904 6.273 -5.319
120 1HD LYS 15 2HD LYS 15 -36.159 7.065 -4.905
121 2HD LYS 15 1HD LYS 15 -35.674 7.686 -3.327
122 1HE LYS 15 2HE LYS 15 -33.896 8.818 -5.215
123 2HE LYS 15 1HE LYS 15 -35.515 8.965 -5.896
124 1HZ LYS 15 2HZ LYS 15 -36.097 9.812 -3.537
125 2HZ LYS 15 1HZ LYS 15 -34.438 10.110 -3.411
126 3HZ LYS 15 3HZ LYS 15 -35.341 10.855 -4.632
127 H CYS 16 H CYS 16 -34.776 1.790 -4.196
128 HA CYS 16 HA CYS 16 -32.356 1.684 -5.657
129 1HB CYS 16 2HB CYS 16 -34.123 -0.215 -4.266
130 2HB CYS 16 1HB CYS 16 -33.226 -0.922 -5.603
131 H GLN 17 H GLN 17 -33.286 2.882 -7.572
132 HA GLN 17 HA GLN 17 -34.553 1.004 -9.468
133 1HB GLN 17 2HB GLN 17 -34.800 3.965 -9.103
134 2HB GLN 17 1HB GLN 17 -35.102 3.255 -10.683
135 1HG GLN 17 2HG GLN 17 -37.204 3.364 -9.726
136 2HG GLN 17 1HG GLN 17 -36.719 1.695 -9.433
137 1HE2 GLN 17 2HE2 GLN 17 -37.110 1.940 -6.020
138 2HE2 GLN 17 1HE2 GLN 17 -36.995 0.974 -7.447
139 H LEU 18 H LEU 18 -31.727 2.788 -8.781
140 HA LEU 18 HA LEU 18 -30.440 1.811 -11.141
141 1HB LEU 18 2HB LEU 18 -29.805 4.596 -11.221
142 2HB LEU 18 1HB LEU 18 -30.528 3.615 -12.475
143 HG LEU 18 HG LEU 18 -32.772 4.159 -11.559
144 1HD1 LEU 18 3HD1 LEU 18 -31.503 4.809 -9.247
145 2HD1 LEU 18 2HD1 LEU 18 -31.739 6.404 -9.957
146 3HD1 LEU 18 1HD1 LEU 18 -33.122 5.353 -9.679
147 1HD2 LEU 18 1HD2 LEU 18 -30.903 6.309 -12.466
148 2HD2 LEU 18 3HD2 LEU 18 -32.170 5.477 -13.367
149 3HD2 LEU 18 2HD2 LEU 18 -32.598 6.661 -12.131
150 H ALA 19 H ALA 19 -28.115 2.856 -11.221
151 HA ALA 19 HA ALA 19 -26.765 2.098 -8.909
152 1HB ALA 19 1HB ALA 19 -25.803 2.275 -11.211
153 2HB ALA 19 3HB ALA 19 -25.719 4.021 -10.974
154 3HB ALA 19 2HB ALA 19 -24.787 2.944 -9.934
155 H ASN 20 H ASN 20 -24.900 4.361 -8.821
156 HA ASN 20 HA ASN 20 -24.453 6.151 -7.527
157 1HB ASN 20 2HB ASN 20 -25.770 7.528 -8.892
158 2HB ASN 20 1HB ASN 20 -27.271 6.776 -8.364
159 1HD2 ASN 20 2HD2 ASN 20 -25.457 9.290 -5.689
160 2HD2 ASN 20 1HD2 ASN 20 -24.521 8.160 -6.601
161 H GLN 21 H GLN 21 -27.840 5.831 -6.538
162 HA GLN 21 HA GLN 21 -27.577 6.239 -3.886
163 1HB GLN 21 2HB GLN 21 -29.734 5.878 -4.986
164 2HB GLN 21 1HB GLN 21 -29.370 4.166 -5.163
165 1HG GLN 21 2HG GLN 21 -30.911 4.777 -3.279
166 2HG GLN 21 1HG GLN 21 -29.515 3.792 -2.846
167 1HE2 GLN 21 2HE2 GLN 21 -29.126 7.747 -1.899
168 2HE2 GLN 21 1HE2 GLN 21 -29.611 7.257 -3.484
169 H CYS 22 H CYS 22 -27.998 2.859 -4.916
170 HA CYS 22 HA CYS 22 -26.839 1.777 -2.615
171 1HB CYS 22 2HB CYS 22 -28.315 0.669 -4.455
172 2HB CYS 22 1HB CYS 22 -26.775 0.314 -5.232
173 H ASN 23 H ASN 23 -25.421 2.486 -5.783
174 HA ASN 23 HA ASN 23 -22.938 1.297 -5.488
175 1HB ASN 23 2HB ASN 23 -23.901 2.501 -7.529
176 2HB ASN 23 1HB ASN 23 -23.322 3.991 -6.790
177 1HD2 ASN 23 2HD2 ASN 23 -20.392 3.515 -8.583
178 2HD2 ASN 23 1HD2 ASN 23 -21.818 4.456 -8.330
179 H TYR 24 H TYR 24 -23.345 4.808 -5.167
180 HA TYR 24 HA TYR 24 -21.009 5.329 -3.814
181 1HB TYR 24 2HB TYR 24 -21.839 7.388 -4.184
182 2HB TYR 24 1HB TYR 24 -23.451 6.734 -4.421
183 HD1 TYR 24 HD2 TYR 24 -21.173 7.188 -1.503
184 HD2 TYR 24 HD1 TYR 24 -25.047 7.801 -3.148
185 HE1 TYR 24 HE2 TYR 24 -21.881 8.246 0.588
186 HE2 TYR 24 HE1 TYR 24 -25.771 8.868 -1.051
187 HH TYR 24 HH TYR 24 -25.231 9.276 1.091
188 H ASP 25 H ASP 25 -24.124 4.340 -2.480
189 HA ASP 25 HA ASP 25 -23.574 4.688 0.223
190 1HB ASP 25 2HB ASP 25 -25.297 2.656 -1.184
191 2HB ASP 25 1HB ASP 25 -25.234 2.805 0.568
192 H CYS 26 H CYS 26 -23.375 1.551 -1.485
193 HA CYS 26 HA CYS 26 -22.031 0.271 0.582
194 1HB CYS 26 2HB CYS 26 -21.820 -0.285 -2.389
195 2HB CYS 26 1HB CYS 26 -21.280 -1.372 -1.119
196 H LYS 27 H LYS 27 -20.842 2.266 -2.042
197 HA LYS 27 HA LYS 27 -18.112 1.726 -1.812
198 1HB LYS 27 2HB LYS 27 -19.496 3.155 -3.548
199 2HB LYS 27 1HB LYS 27 -19.034 4.483 -2.495
200 1HG LYS 27 2HG LYS 27 -16.771 4.241 -2.969
201 2HG LYS 27 1HG LYS 27 -16.969 2.587 -3.551
202 1HD LYS 27 2HD LYS 27 -16.597 3.951 -5.458
203 2HD LYS 27 1HD LYS 27 -18.309 3.522 -5.462
204 1HE LYS 27 2HE LYS 27 -17.730 5.940 -5.986
205 2HE LYS 27 1HE LYS 27 -18.952 5.671 -4.745
206 1HZ LYS 27 1HZ LYS 27 -17.162 5.951 -3.075
207 2HZ LYS 27 3HZ LYS 27 -16.102 6.384 -4.321
208 3HZ LYS 27 2HZ LYS 27 -17.454 7.344 -3.989
209 H LEU 28 H LEU 28 -19.974 2.806 0.655
210 HA LEU 28 HA LEU 28 -17.691 3.711 2.128
211 1HB LEU 28 2HB LEU 28 -18.247 5.737 0.839
212 2HB LEU 28 1HB LEU 28 -19.851 5.731 1.543
213 HG LEU 28 HG LEU 28 -18.578 5.854 3.817
214 1HD1 LEU 28 3HD1 LEU 28 -16.368 5.535 2.463
215 2HD1 LEU 28 2HD1 LEU 28 -16.516 7.271 2.193
216 3HD1 LEU 28 1HD1 LEU 28 -16.419 6.639 3.837
217 1HD2 LEU 28 1HD2 LEU 28 -19.054 8.039 1.834
218 2HD2 LEU 28 3HD2 LEU 28 -19.926 7.663 3.320
219 3HD2 LEU 28 2HD2 LEU 28 -18.330 8.408 3.400
220 H ASP 29 H ASP 29 -21.210 3.409 1.993
221 HA ASP 29 HA ASP 29 -21.634 3.620 4.789
222 1HB ASP 29 2HB ASP 29 -23.296 2.371 2.596
223 2HB ASP 29 1HB ASP 29 -23.838 2.506 4.266
224 H LYS 30 H LYS 30 -20.256 1.190 2.888
225 HA LYS 30 HA LYS 30 -20.278 -0.639 5.173
226 1HB LYS 30 2HB LYS 30 -21.004 -1.433 2.347
227 2HB LYS 30 1HB LYS 30 -20.667 -2.571 3.647
228 1HG LYS 30 2HG LYS 30 -22.558 -1.163 4.863
229 2HG LYS 30 1HG LYS 30 -23.039 -0.845 3.197
230 1HD LYS 30 2HD LYS 30 -24.227 -2.761 3.595
231 2HD LYS 30 1HD LYS 30 -22.730 -3.455 2.971
232 1HE LYS 30 2HE LYS 30 -23.513 -3.143 5.866
233 2HE LYS 30 1HE LYS 30 -23.415 -4.649 4.955
234 1HZ LYS 30 1HZ LYS 30 -21.111 -2.855 5.497
235 2HZ LYS 30 3HZ LYS 30 -21.469 -4.254 6.380
236 3HZ LYS 30 2HZ LYS 30 -21.053 -4.369 4.744
237 H HIS 31 H HIS 31 -18.413 1.196 3.557
238 HA HIS 31 HA HIS 31 -16.246 1.218 2.854
239 1HB HIS 31 2HB HIS 31 -15.916 -1.304 4.478
240 2HB HIS 31 1HB HIS 31 -14.709 -0.067 4.142
241 HD1 HIS 31 HD1 HIS 31 -16.640 -1.200 6.825
242 HD2 HIS 31 HD2 HIS 31 -15.830 2.581 5.304
243 HE1 HIS 31 HE1 HIS 31 -17.101 0.397 8.713
244 HE2 HIS 31 HE2 HIS 31 -16.516 2.670 7.796
245 H ALA 32 H ALA 32 -18.203 -0.293 1.263
246 HA ALA 32 HA ALA 32 -16.716 -2.542 0.192
247 1HB ALA 32 2HB ALA 32 -19.418 -1.918 0.349
248 2HB ALA 32 1HB ALA 32 -19.046 -1.734 -1.363
249 3HB ALA 32 3HB ALA 32 -18.711 -3.262 -0.546
250 H ARG 33 H ARG 33 -17.022 -2.522 -2.445
251 HA ARG 33 HA ARG 33 -15.379 -0.242 -3.283
252 1HB ARG 33 2HB ARG 33 -15.871 -2.952 -4.520
253 2HB ARG 33 1HB ARG 33 -14.938 -1.682 -5.303
254 1HG ARG 33 2HG ARG 33 -13.631 -1.726 -3.001
255 2HG ARG 33 1HG ARG 33 -14.255 -3.375 -2.963
256 1HD ARG 33 2HD ARG 33 -12.224 -3.643 -4.031
257 2HD ARG 33 1HD ARG 33 -13.344 -3.504 -5.386
258 HE ARG 33 HE ARG 33 -12.249 -0.982 -4.608
259 1HH1 ARG 33 1HH2 ARG 33 -11.632 -3.880 -6.440
260 2HH1 ARG 33 2HH2 ARG 33 -10.516 -3.113 -7.521
261 1HH2 ARG 33 2HH1 ARG 33 -10.786 0.036 -6.025
262 2HH2 ARG 33 1HH1 ARG 33 -10.036 -0.885 -7.286
263 H SER 34 H SER 34 -18.171 -2.139 -4.408
264 HA SER 34 HA SER 34 -19.277 0.298 -5.595
265 1HB SER 34 2HB SER 34 -19.001 -0.381 -7.722
266 2HB SER 34 1HB SER 34 -18.105 -1.783 -7.138
267 HG SER 34 HG SER 34 -20.629 -1.629 -8.142
268 H GLY 35 H GLY 35 -21.566 -0.610 -6.686
269 1HA GLY 35 2HA GLY 35 -22.857 -2.590 -5.075
270 2HA GLY 35 1HA GLY 35 -23.266 -0.964 -4.553
271 H GLU 36 H GLU 36 -25.202 -2.647 -5.368
272 HA GLU 36 HA GLU 36 -26.596 -1.179 -7.305
273 1HB GLU 36 2HB GLU 36 -24.902 -3.333 -8.339
274 2HB GLU 36 1HB GLU 36 -26.589 -3.548 -8.782
275 1HG GLU 36 2HG GLU 36 -26.625 -1.698 -10.114
276 2HG GLU 36 1HG GLU 36 -25.372 -0.868 -9.193
277 H CYS 37 H CYS 37 -28.796 -1.851 -7.383
278 HA CYS 37 HA CYS 37 -29.448 -3.777 -5.290
279 1HB CYS 37 2HB CYS 37 -30.638 -1.352 -6.226
280 2HB CYS 37 1HB CYS 37 -31.827 -2.645 -6.345
281 H PHE 38 H PHE 38 -30.527 -5.647 -5.563
282 HA PHE 38 HA PHE 38 -31.595 -6.346 -8.188
283 1HB PHE 38 2HB PHE 38 -29.385 -7.887 -6.815
284 2HB PHE 38 1HB PHE 38 -30.379 -8.561 -8.101
285 HD1 PHE 38 HD2 PHE 38 -30.531 -6.948 -10.240
286 HD2 PHE 38 HD1 PHE 38 -27.345 -7.050 -7.421
287 HE1 PHE 38 HE2 PHE 38 -29.015 -5.991 -11.924
288 HE2 PHE 38 HE1 PHE 38 -25.823 -6.091 -9.101
289 HZ PHE 38 HZ PHE 38 -26.658 -5.560 -11.356
290 H TYR 39 H TYR 39 -32.921 -8.294 -8.137
291 HA TYR 39 HA TYR 39 -34.376 -8.491 -5.649
292 1HB TYR 39 2HB TYR 39 -34.981 -10.264 -7.971
293 2HB TYR 39 1HB TYR 39 -36.080 -9.448 -6.864
294 HD1 TYR 39 HD1 TYR 39 -33.873 -8.948 -9.787
295 HD2 TYR 39 HD2 TYR 39 -36.972 -7.321 -7.373
296 HE1 TYR 39 HE1 TYR 39 -34.240 -7.181 -11.459
297 HE2 TYR 39 HE2 TYR 39 -37.346 -5.549 -9.034
298 HH TYR 39 HH TYR 39 -35.460 -4.517 -11.082
299 H ASP 40 H ASP 40 -34.846 -10.510 -4.569
300 HA ASP 40 HA ASP 40 -33.312 -12.853 -5.179
301 1HB ASP 40 2HB ASP 40 -31.957 -12.901 -3.164
302 2HB ASP 40 1HB ASP 40 -31.592 -11.441 -4.080
303 H GLU 41 H GLU 41 -35.835 -12.941 -5.151
304 HA GLU 41 HA GLU 41 -37.356 -14.449 -4.324
305 1HB GLU 41 2HB GLU 41 -35.447 -15.182 -2.707
306 2HB GLU 41 1HB GLU 41 -36.312 -14.196 -1.534
307 1HG GLU 41 2HG GLU 41 -36.990 -16.482 -1.306
308 2HG GLU 41 1HG GLU 41 -38.335 -15.534 -1.937
309 H LYS 42 H LYS 42 -36.574 -11.377 -3.128
310 HA LYS 42 HA LYS 42 -39.142 -11.038 -1.768
311 1HB LYS 42 2HB LYS 42 -36.813 -10.190 -0.934
312 2HB LYS 42 1HB LYS 42 -37.099 -8.867 -2.056
313 1HG LYS 42 2HG LYS 42 -37.834 -8.141 0.064
314 2HG LYS 42 1HG LYS 42 -39.279 -8.470 -0.892
315 1HD LYS 42 2HD LYS 42 -38.516 -10.869 0.497
316 2HD LYS 42 1HD LYS 42 -38.580 -9.537 1.651
317 1HE LYS 42 2HE LYS 42 -40.784 -10.335 -0.252
318 2HE LYS 42 1HE LYS 42 -40.732 -10.690 1.475
319 1HZ LYS 42 2HZ LYS 42 -40.349 -7.960 1.216
320 2HZ LYS 42 1HZ LYS 42 -41.625 -8.348 0.175
321 3HZ LYS 42 3HZ LYS 42 -41.718 -8.754 1.815
322 H ARG 43 H ARG 43 -37.896 -10.691 -4.849
323 HA ARG 43 HA ARG 43 -38.442 -9.389 -6.668
324 1HB ARG 43 2HB ARG 43 -41.182 -9.864 -5.473
325 2HB ARG 43 1HB ARG 43 -40.856 -9.414 -7.142
326 1HG ARG 43 2HG ARG 43 -41.128 -11.668 -7.365
327 2HG ARG 43 1HG ARG 43 -39.384 -11.587 -7.103
328 1HD ARG 43 2HD ARG 43 -40.433 -13.345 -5.753
329 2HD ARG 43 1HD ARG 43 -39.687 -12.102 -4.752
330 HE ARG 43 HE ARG 43 -41.775 -11.496 -3.982
331 1HH1 ARG 43 1HH2 ARG 43 -42.080 -13.720 -6.644
332 2HH1 ARG 43 2HH2 ARG 43 -43.771 -13.994 -6.391
333 1HH2 ARG 43 2HH1 ARG 43 -44.003 -11.852 -3.637
334 2HH2 ARG 43 1HH1 ARG 43 -44.864 -12.934 -4.681
335 H ASN 44 H ASN 44 -37.640 -7.807 -4.508
336 HA ASN 44 HA ASN 44 -39.114 -5.355 -5.094
337 1HB ASN 44 2HB ASN 44 -38.933 -6.678 -2.447
338 2HB ASN 44 1HB ASN 44 -38.660 -4.940 -2.460
339 1HD2 ASN 44 2HD2 ASN 44 -42.218 -5.329 -1.888
340 2HD2 ASN 44 1HD2 ASN 44 -40.722 -5.584 -1.061
341 H LEU 45 H LEU 45 -36.329 -6.901 -5.170
342 HA LEU 45 HA LEU 45 -34.180 -6.241 -5.539
343 1HB LEU 45 2HB LEU 45 -34.990 -3.412 -4.963
344 2HB LEU 45 1HB LEU 45 -33.647 -3.979 -5.932
345 HG LEU 45 HG LEU 45 -36.332 -4.796 -6.877
346 1HD1 LEU 45 1HD1 LEU 45 -35.440 -1.931 -6.824
347 2HD1 LEU 45 3HD1 LEU 45 -36.561 -2.543 -8.038
348 3HD1 LEU 45 2HD1 LEU 45 -36.988 -2.611 -6.327
349 1HD2 LEU 45 3HD2 LEU 45 -33.815 -3.759 -8.172
350 2HD2 LEU 45 2HD2 LEU 45 -34.442 -5.406 -8.192
351 3HD2 LEU 45 1HD2 LEU 45 -35.294 -4.125 -9.057
352 H GLN 46 H GLN 46 -32.288 -5.713 -4.418
353 HA GLN 46 HA GLN 46 -32.477 -4.771 -1.679
354 1HB GLN 46 2HB GLN 46 -32.787 -7.357 -1.818
355 2HB GLN 46 1HB GLN 46 -31.057 -7.377 -2.138
356 1HG GLN 46 2HG GLN 46 -31.579 -7.754 0.222
357 2HG GLN 46 1HG GLN 46 -30.618 -6.296 -0.023
358 1HE2 GLN 46 2HE2 GLN 46 -34.316 -6.126 1.599
359 2HE2 GLN 46 1HE2 GLN 46 -33.638 -7.597 0.999
360 H CYS 47 H CYS 47 -30.654 -3.719 -1.035
361 HA CYS 47 HA CYS 47 -28.813 -2.901 -2.969
362 1HB CYS 47 2HB CYS 47 -29.449 -2.201 -0.312
363 2HB CYS 47 1HB CYS 47 -27.716 -2.509 -0.336
364 H ILE 48 H ILE 48 -27.611 -4.404 -3.967
365 HA ILE 48 HA ILE 48 -26.079 -6.342 -2.425
366 HB ILE 48 HB ILE 48 -26.320 -5.952 -5.405
367 1HG1 ILE 48 2HG1 ILE 48 -28.343 -6.838 -4.343
368 2HG1 ILE 48 1HG1 ILE 48 -27.560 -8.071 -5.327
369 1HG2 ILE 48 3HG2 ILE 48 -24.725 -7.917 -3.799
370 2HG2 ILE 48 2HG2 ILE 48 -25.181 -8.203 -5.478
371 3HG2 ILE 48 1HG2 ILE 48 -24.165 -6.822 -5.064
372 1HD1 ILE 48 1HD1 ILE 48 -26.424 -8.572 -2.939
373 2HD1 ILE 48 3HD1 ILE 48 -27.995 -7.956 -2.426
374 3HD1 ILE 48 2HD1 ILE 48 -27.905 -9.342 -3.512
375 H CYS 49 H CYS 49 -24.201 -5.707 -1.587
376 HA CYS 49 HA CYS 49 -22.724 -3.518 -2.831
377 1HB CYS 49 2HB CYS 49 -22.297 -4.983 -0.221
378 2HB CYS 49 1HB CYS 49 -21.320 -3.632 -0.782
379 H ASP 50 H ASP 50 -20.935 -3.753 -3.988
380 HA ASP 50 HA ASP 50 -19.839 -6.444 -4.360
381 1HB ASP 50 2HB ASP 50 -20.326 -5.464 -6.446
382 2HB ASP 50 1HB ASP 50 -19.699 -3.893 -5.955
383 H TYR 51 H TYR 51 -18.001 -7.044 -3.476
384 HA TYR 51 HA TYR 51 -16.339 -5.021 -2.162
385 1HB TYR 51 2HB TYR 51 -16.689 -7.983 -1.827
386 2HB TYR 51 1HB TYR 51 -15.319 -7.137 -1.104
387 HD1 TYR 51 HD1 TYR 51 -19.040 -6.960 -1.316
388 HD2 TYR 51 HD2 TYR 51 -15.564 -6.235 1.026
389 HE1 TYR 51 HE1 TYR 51 -20.463 -6.315 0.584
390 HE2 TYR 51 HE2 TYR 51 -16.976 -5.590 2.933
391 HH TYR 51 HH TYR 51 -19.636 -4.598 3.003
392 H CYS 52 H CYS 52 -16.257 -7.359 -4.744
393 HA CYS 52 HA CYS 52 -13.364 -6.957 -5.094
394 1HB CYS 52 2HB CYS 52 -15.288 -8.951 -6.285
395 2HB CYS 52 1HB CYS 52 -13.633 -8.770 -6.843
396 H GLU 53 H GLU 53 -15.027 -7.909 -7.867
397 HA GLU 53 HA GLU 53 -15.705 -5.375 -8.957
398 1HB GLU 53 2HB GLU 53 -13.141 -5.376 -8.937
399 2HB GLU 53 1HB GLU 53 -13.245 -6.621 -10.174
400 1HG GLU 53 2HG GLU 53 -13.134 -4.851 -11.566
401 2HG GLU 53 1HG GLU 53 -14.869 -4.778 -11.257
402 H TYR 54 HN TYR 54 -14.594 -6.522 -11.619
403 HA TYR 54 HA TYR 54 -15.582 -8.940 -12.338
404 1HB TYR 54 2HB TYR 54 -17.797 -7.229 -11.671
405 2HB TYR 54 1HB TYR 54 -17.837 -7.539 -13.395
406 HD1 TYR 54 HD1 TYR 54 -16.725 -9.884 -10.684
407 HD2 TYR 54 HD2 TYR 54 -19.648 -8.956 -13.642
408 HE1 TYR 54 HE1 TYR 54 -17.794 -12.058 -10.304
409 HE2 TYR 54 HE2 TYR 54 -20.721 -11.134 -13.264
410 HH TYR 54 HH TYR 54 -20.195 -13.019 -10.634
No H/Q in entry = 410
Start of MODEL 24
1 HN PCA 1 HN PCA 1 -15.154 -15.556 -11.871
2 HA PCA 1 HA PCA 1 -14.213 -13.433 -10.790
3 1HB PCA 1 1HB PCA 1 -13.193 -11.983 -12.196
4 2HB PCA 1 2HB PCA 1 -14.704 -11.740 -13.102
5 1HG PCA 1 1HG PCA 1 -12.421 -13.413 -13.785
6 2HG PCA 1 2HG PCA 1 -13.874 -13.087 -14.748
7 H ASP 2 H ASP 2 -16.050 -13.486 -9.570
8 HA ASP 2 HA ASP 2 -18.153 -11.706 -10.275
9 1HB ASP 2 2HB ASP 2 -18.944 -13.594 -11.581
10 2HB ASP 2 1HB ASP 2 -18.792 -14.663 -10.189
11 H LYS 3 H LYS 3 -17.730 -14.621 -8.247
12 HA LYS 3 HA LYS 3 -19.128 -13.997 -6.044
13 1HB LYS 3 2HB LYS 3 -16.361 -15.175 -6.210
14 2HB LYS 3 1HB LYS 3 -17.240 -15.059 -4.692
15 1HG LYS 3 2HG LYS 3 -18.583 -16.351 -7.008
16 2HG LYS 3 1HG LYS 3 -17.319 -17.240 -6.157
17 1HD LYS 3 2HD LYS 3 -18.504 -17.129 -4.103
18 2HD LYS 3 1HD LYS 3 -19.648 -15.950 -4.749
19 1HE LYS 3 2HE LYS 3 -20.776 -17.534 -5.999
20 2HE LYS 3 1HE LYS 3 -19.398 -18.634 -6.035
21 1HZ LYS 3 2HZ LYS 3 -20.105 -18.346 -3.374
22 2HZ LYS 3 1HZ LYS 3 -21.557 -18.555 -4.214
23 3HZ LYS 3 3HZ LYS 3 -20.325 -19.707 -4.354
24 H CYS 4 H CYS 4 -19.290 -12.343 -4.730
25 HA CYS 4 HA CYS 4 -17.462 -11.044 -3.255
26 1HB CYS 4 2HB CYS 4 -17.246 -10.201 -6.083
27 2HB CYS 4 1HB CYS 4 -17.279 -8.886 -4.913
28 H LYS 5 H LYS 5 -20.453 -11.235 -4.679
29 HA LYS 5 HA LYS 5 -21.408 -8.626 -3.868
30 1HB LYS 5 2HB LYS 5 -22.839 -11.014 -5.045
31 2HB LYS 5 1HB LYS 5 -23.604 -9.469 -4.700
32 1HG LYS 5 2HG LYS 5 -21.242 -9.724 -6.537
33 2HG LYS 5 1HG LYS 5 -22.909 -9.885 -7.093
34 1HD LYS 5 2HD LYS 5 -23.355 -7.629 -6.082
35 2HD LYS 5 1HD LYS 5 -21.617 -7.481 -5.819
36 1HE LYS 5 2HE LYS 5 -21.216 -7.705 -8.204
37 2HE LYS 5 1HE LYS 5 -22.943 -7.920 -8.488
38 1HZ LYS 5 3HZ LYS 5 -21.695 -5.482 -7.337
39 2HZ LYS 5 2HZ LYS 5 -22.206 -5.648 -8.940
40 3HZ LYS 5 1HZ LYS 5 -23.337 -5.691 -7.683
41 H LYS 6 H LYS 6 -22.800 -8.168 -2.245
42 HA LYS 6 HA LYS 6 -23.782 -10.276 -0.507
43 1HB LYS 6 2HB LYS 6 -21.577 -8.443 0.200
44 2HB LYS 6 1HB LYS 6 -22.843 -8.584 1.413
45 1HG LYS 6 2HG LYS 6 -22.552 -11.083 1.245
46 2HG LYS 6 1HG LYS 6 -21.108 -10.761 0.284
47 1HD LYS 6 2HD LYS 6 -20.443 -9.230 2.276
48 2HD LYS 6 1HD LYS 6 -21.633 -10.177 3.170
49 1HE LYS 6 2HE LYS 6 -19.008 -10.988 2.050
50 2HE LYS 6 1HE LYS 6 -19.775 -11.442 3.570
51 1HZ LYS 6 1HZ LYS 6 -20.926 -12.378 1.032
52 2HZ LYS 6 3HZ LYS 6 -19.566 -13.160 1.664
53 3HZ LYS 6 2HZ LYS 6 -20.997 -13.088 2.565
54 H VAL 7 H VAL 7 -25.822 -9.840 -0.069
55 HA VAL 7 HA VAL 7 -27.140 -7.542 -0.902
56 HB VAL 7 HB VAL 7 -29.094 -8.398 -0.001
57 1HG1 VAL 7 1HG1 VAL 7 -27.859 -9.917 -1.604
58 2HG1 VAL 7 3HG1 VAL 7 -27.448 -10.900 -0.197
59 3HG1 VAL 7 2HG1 VAL 7 -29.139 -10.658 -0.639
60 1HG2 VAL 7 3HG2 VAL 7 -27.348 -9.557 2.139
61 2HG2 VAL 7 2HG2 VAL 7 -28.764 -8.515 2.299
62 3HG2 VAL 7 1HG2 VAL 7 -28.959 -10.210 1.845
63 H TYR 8 H TYR 8 -28.126 -5.864 0.143
64 HA TYR 8 HA TYR 8 -26.897 -5.062 2.699
65 1HB TYR 8 2HB TYR 8 -26.780 -3.628 0.477
66 2HB TYR 8 1HB TYR 8 -28.412 -3.161 0.937
67 HD1 TYR 8 HD2 TYR 8 -28.016 -3.101 3.949
68 HD2 TYR 8 HD1 TYR 8 -25.648 -1.596 0.752
69 HE1 TYR 8 HE2 TYR 8 -27.083 -1.399 5.450
70 HE2 TYR 8 HE1 TYR 8 -24.708 0.113 2.248
71 HH TYR 8 HH TYR 8 -24.465 0.709 4.445
72 H GLU 9 H GLU 9 -28.449 -6.532 3.714
73 HA GLU 9 HA GLU 9 -31.173 -6.477 3.531
74 1HB GLU 9 2HB GLU 9 -30.947 -6.817 6.186
75 2HB GLU 9 1HB GLU 9 -30.546 -8.080 5.030
76 1HG GLU 9 2HG GLU 9 -28.219 -7.578 5.177
77 2HG GLU 9 1HG GLU 9 -28.538 -6.140 6.145
78 H ASN 10 H ASN 10 -30.074 -5.131 6.477
79 HA ASN 10 HA ASN 10 -32.036 -3.244 6.789
80 1HB ASN 10 2HB ASN 10 -29.334 -3.650 7.927
81 2HB ASN 10 1HB ASN 10 -29.964 -2.013 8.073
82 1HD2 ASN 10 2HD2 ASN 10 -31.304 -4.962 10.437
83 2HD2 ASN 10 1HD2 ASN 10 -30.044 -5.178 9.275
84 H TYR 11 H TYR 11 -32.503 -2.155 4.927
85 HA TYR 11 HA TYR 11 -31.162 0.269 4.427
86 1HB TYR 11 2HB TYR 11 -29.440 -1.064 3.397
87 2HB TYR 11 1HB TYR 11 -30.627 -1.947 2.446
88 HD1 TYR 11 HD1 TYR 11 -28.824 1.231 2.812
89 HD2 TYR 11 HD2 TYR 11 -31.573 -0.983 0.438
90 HE1 TYR 11 HE1 TYR 11 -28.542 2.852 0.985
91 HE2 TYR 11 HE2 TYR 11 -31.301 0.633 -1.396
92 HH TYR 11 HH TYR 11 -28.828 2.771 -1.611
93 HA PRO 12 HA PRO 12 -35.549 0.578 3.171
94 1HB PRO 12 2HB PRO 12 -34.455 3.255 2.394
95 2HB PRO 12 1HB PRO 12 -35.962 2.855 3.230
96 1HG PRO 12 2HG PRO 12 -33.870 3.789 4.582
97 2HG PRO 12 1HG PRO 12 -34.899 2.515 5.262
98 1HD PRO 12 2HD PRO 12 -32.161 2.328 4.115
99 2HD PRO 12 1HD PRO 12 -32.915 1.372 5.406
100 H VAL 13 H VAL 13 -36.238 -0.223 1.316
101 HA VAL 13 HA VAL 13 -34.684 -0.501 -0.990
102 HB VAL 13 HB VAL 13 -37.693 -0.584 -0.827
103 1HG1 VAL 13 3HG1 VAL 13 -35.724 -1.226 -2.929
104 2HG1 VAL 13 2HG1 VAL 13 -36.971 -2.445 -2.668
105 3HG1 VAL 13 1HG1 VAL 13 -37.428 -0.790 -3.065
106 1HG2 VAL 13 3HG2 VAL 13 -36.698 -2.028 0.857
107 2HG2 VAL 13 2HG2 VAL 13 -37.413 -2.991 -0.436
108 3HG2 VAL 13 1HG2 VAL 13 -35.665 -2.770 -0.365
109 H SER 14 H SER 14 -34.467 2.180 -0.413
110 HA SER 14 HA SER 14 -36.246 3.845 -1.826
111 1HB SER 14 2HB SER 14 -34.430 5.529 -1.706
112 2HB SER 14 1HB SER 14 -34.696 4.736 -0.153
113 HG SER 14 HG SER 14 -32.521 4.729 -0.478
114 H LYS 15 H LYS 15 -33.461 4.855 -3.128
115 HA LYS 15 HA LYS 15 -34.194 4.122 -5.772
116 1HB LYS 15 2HB LYS 15 -32.570 6.068 -4.622
117 2HB LYS 15 1HB LYS 15 -31.435 5.057 -5.499
118 1HG LYS 15 2HG LYS 15 -31.999 6.616 -7.084
119 2HG LYS 15 1HG LYS 15 -33.134 5.316 -7.455
120 1HD LYS 15 2HD LYS 15 -34.810 6.499 -6.010
121 2HD LYS 15 1HD LYS 15 -33.677 7.847 -5.908
122 1HE LYS 15 2HE LYS 15 -33.922 8.394 -8.142
123 2HE LYS 15 1HE LYS 15 -34.479 6.780 -8.582
124 1HZ LYS 15 3HZ LYS 15 -36.535 7.278 -7.292
125 2HZ LYS 15 2HZ LYS 15 -36.006 8.877 -7.143
126 3HZ LYS 15 1HZ LYS 15 -36.332 8.234 -8.674
127 H CYS 16 H CYS 16 -33.015 2.838 -7.268
128 HA CYS 16 HA CYS 16 -30.789 1.258 -6.590
129 1HB CYS 16 2HB CYS 16 -33.331 0.244 -5.679
130 2HB CYS 16 1HB CYS 16 -32.652 -0.853 -6.877
131 H GLN 17 H GLN 17 -33.636 1.772 -8.539
132 HA GLN 17 HA GLN 17 -32.748 0.219 -10.773
133 1HB GLN 17 2HB GLN 17 -34.797 2.442 -10.715
134 2HB GLN 17 1HB GLN 17 -34.614 1.219 -11.964
135 1HG GLN 17 2HG GLN 17 -35.099 -0.494 -10.174
136 2HG GLN 17 1HG GLN 17 -35.569 0.857 -9.144
137 1HE2 GLN 17 2HE2 GLN 17 -38.584 1.517 -10.823
138 2HE2 GLN 17 1HE2 GLN 17 -37.351 2.164 -9.800
139 H LEU 18 H LEU 18 -30.728 1.942 -9.871
140 HA LEU 18 HA LEU 18 -30.030 3.266 -12.326
141 1HB LEU 18 2HB LEU 18 -30.658 4.851 -9.845
142 2HB LEU 18 1HB LEU 18 -29.535 5.450 -11.047
143 HG LEU 18 HG LEU 18 -32.473 4.892 -11.457
144 1HD1 LEU 18 3HD1 LEU 18 -31.630 6.966 -10.178
145 2HD1 LEU 18 2HD1 LEU 18 -31.091 7.520 -11.763
146 3HD1 LEU 18 1HD1 LEU 18 -32.799 7.180 -11.481
147 1HD2 LEU 18 2HD2 LEU 18 -30.282 5.601 -13.377
148 2HD2 LEU 18 1HD2 LEU 18 -31.547 4.383 -13.539
149 3HD2 LEU 18 3HD2 LEU 18 -31.949 6.093 -13.677
150 H ALA 19 H ALA 19 -28.762 4.655 -9.485
151 HA ALA 19 HA ALA 19 -26.753 2.849 -8.736
152 1HB ALA 19 3HB ALA 19 -25.937 3.188 -11.044
153 2HB ALA 19 2HB ALA 19 -25.793 4.913 -10.718
154 3HB ALA 19 1HB ALA 19 -24.794 3.761 -9.833
155 H ASN 20 H ASN 20 -24.658 4.829 -8.441
156 HA ASN 20 HA ASN 20 -23.964 6.360 -6.930
157 1HB ASN 20 2HB ASN 20 -26.341 7.463 -8.161
158 2HB ASN 20 1HB ASN 20 -26.205 8.028 -6.501
159 1HD2 ASN 20 2HD2 ASN 20 -23.184 9.816 -7.066
160 2HD2 ASN 20 1HD2 ASN 20 -24.006 8.848 -5.895
161 H GLN 21 H GLN 21 -27.357 6.499 -5.951
162 HA GLN 21 HA GLN 21 -27.164 6.523 -3.295
163 1HB GLN 21 2HB GLN 21 -29.214 6.040 -5.014
164 2HB GLN 21 1HB GLN 21 -29.117 4.488 -4.198
165 1HG GLN 21 2HG GLN 21 -30.714 5.873 -3.079
166 2HG GLN 21 1HG GLN 21 -29.311 5.654 -2.032
167 1HE2 GLN 21 1HE2 GLN 21 -28.347 7.656 -4.422
168 2HE2 GLN 21 2HE2 GLN 21 -28.658 9.185 -3.680
169 H CYS 22 H CYS 22 -27.785 3.330 -4.716
170 HA CYS 22 HA CYS 22 -26.811 1.864 -2.554
171 1HB CYS 22 2HB CYS 22 -28.204 1.139 -4.640
172 2HB CYS 22 1HB CYS 22 -26.634 0.834 -5.371
173 H ASN 23 H ASN 23 -25.235 2.623 -5.638
174 HA ASN 23 HA ASN 23 -22.795 1.406 -5.206
175 1HB ASN 23 2HB ASN 23 -23.888 2.831 -7.232
176 2HB ASN 23 1HB ASN 23 -22.719 4.007 -6.634
177 1HD2 ASN 23 2HD2 ASN 23 -19.884 2.169 -7.623
178 2HD2 ASN 23 1HD2 ASN 23 -20.486 3.338 -6.503
179 H TYR 24 H TYR 24 -23.015 4.948 -5.127
180 HA TYR 24 HA TYR 24 -20.734 5.483 -3.748
181 1HB TYR 24 2HB TYR 24 -21.554 7.507 -4.298
182 2HB TYR 24 1HB TYR 24 -23.205 6.911 -4.320
183 HD1 TYR 24 HD1 TYR 24 -20.587 7.651 -1.756
184 HD2 TYR 24 HD2 TYR 24 -24.664 7.997 -2.914
185 HE1 TYR 24 HE1 TYR 24 -21.053 8.913 0.294
186 HE2 TYR 24 HE2 TYR 24 -25.145 9.266 -0.864
187 HH TYR 24 HH TYR 24 -23.401 9.281 1.743
188 H ASP 25 H ASP 25 -23.920 4.917 -2.227
189 HA ASP 25 HA ASP 25 -23.166 5.335 0.401
190 1HB ASP 25 2HB ASP 25 -25.182 3.383 -0.705
191 2HB ASP 25 1HB ASP 25 -25.013 3.748 1.007
192 H CYS 26 H CYS 26 -23.426 2.065 -1.049
193 HA CYS 26 HA CYS 26 -22.078 0.854 1.064
194 1HB CYS 26 2HB CYS 26 -23.094 0.029 -1.480
195 2HB CYS 26 1HB CYS 26 -21.495 -0.676 -1.241
196 H LYS 27 H LYS 27 -20.857 2.580 -1.700
197 HA LYS 27 HA LYS 27 -18.201 1.670 -1.647
198 1HB LYS 27 2HB LYS 27 -19.653 3.556 -3.124
199 2HB LYS 27 1HB LYS 27 -18.372 4.484 -2.368
200 1HG LYS 27 2HG LYS 27 -16.698 3.046 -3.331
201 2HG LYS 27 1HG LYS 27 -17.943 1.985 -3.989
202 1HD LYS 27 2HD LYS 27 -17.211 3.358 -5.780
203 2HD LYS 27 1HD LYS 27 -18.791 3.970 -5.291
204 1HE LYS 27 2HE LYS 27 -16.322 5.149 -4.091
205 2HE LYS 27 1HE LYS 27 -16.798 5.615 -5.722
206 1HZ LYS 27 3HZ LYS 27 -18.951 5.683 -3.807
207 2HZ LYS 27 2HZ LYS 27 -17.699 6.767 -3.461
208 3HZ LYS 27 1HZ LYS 27 -18.486 6.836 -4.956
209 H LEU 28 H LEU 28 -19.793 3.015 0.856
210 HA LEU 28 HA LEU 28 -17.352 3.656 2.234
211 1HB LEU 28 2HB LEU 28 -17.540 5.773 1.212
212 2HB LEU 28 1HB LEU 28 -19.276 5.825 1.455
213 HG LEU 28 HG LEU 28 -18.934 6.093 3.877
214 1HD1 LEU 28 1HD1 LEU 28 -16.081 5.756 3.084
215 2HD1 LEU 28 3HD1 LEU 28 -16.482 6.782 4.462
216 3HD1 LEU 28 2HD1 LEU 28 -16.957 5.083 4.459
217 1HD2 LEU 28 1HD2 LEU 28 -17.666 8.032 1.977
218 2HD2 LEU 28 3HD2 LEU 28 -19.225 8.130 2.795
219 3HD2 LEU 28 2HD2 LEU 28 -17.735 8.365 3.707
220 H ASP 29 H ASP 29 -20.850 3.495 2.177
221 HA ASP 29 HA ASP 29 -21.244 3.755 4.982
222 1HB ASP 29 2HB ASP 29 -22.937 2.571 2.777
223 2HB ASP 29 1HB ASP 29 -23.469 2.627 4.453
224 H LYS 30 H LYS 30 -20.042 1.289 2.994
225 HA LYS 30 HA LYS 30 -19.933 -0.554 5.262
226 1HB LYS 30 2HB LYS 30 -21.213 -1.070 2.611
227 2HB LYS 30 1HB LYS 30 -20.355 -2.388 3.395
228 1HG LYS 30 2HG LYS 30 -22.298 -0.891 5.053
229 2HG LYS 30 1HG LYS 30 -22.957 -1.915 3.777
230 1HD LYS 30 2HD LYS 30 -21.580 -3.797 4.693
231 2HD LYS 30 1HD LYS 30 -21.152 -2.750 6.047
232 1HE LYS 30 2HE LYS 30 -23.641 -2.481 6.443
233 2HE LYS 30 1HE LYS 30 -23.873 -3.800 5.293
234 1HZ LYS 30 2HZ LYS 30 -22.357 -5.136 6.746
235 2HZ LYS 30 1HZ LYS 30 -22.450 -3.897 7.894
236 3HZ LYS 30 3HZ LYS 30 -23.846 -4.743 7.446
237 H HIS 31 H HIS 31 -18.385 1.113 2.895
238 HA HIS 31 HA HIS 31 -16.274 1.093 2.056
239 1HB HIS 31 2HB HIS 31 -15.551 -1.233 3.804
240 2HB HIS 31 1HB HIS 31 -14.575 0.158 3.344
241 HD1 HIS 31 HD1 HIS 31 -16.573 -1.147 6.063
242 HD2 HIS 31 HD2 HIS 31 -15.483 2.625 4.701
243 HE1 HIS 31 HE1 HIS 31 -16.995 0.413 7.991
244 HE2 HIS 31 HE2 HIS 31 -16.366 2.694 7.132
245 H ALA 32 H ALA 32 -18.212 -0.308 0.652
246 HA ALA 32 HA ALA 32 -17.049 -2.848 -0.154
247 1HB ALA 32 2HB ALA 32 -19.647 -1.950 -0.020
248 2HB ALA 32 1HB ALA 32 -19.313 -1.884 -1.749
249 3HB ALA 32 3HB ALA 32 -19.111 -3.399 -0.870
250 H ARG 33 H ARG 33 -17.473 -3.053 -2.776
251 HA ARG 33 HA ARG 33 -15.543 -1.164 -3.915
252 1HB ARG 33 2HB ARG 33 -15.415 -3.805 -3.996
253 2HB ARG 33 1HB ARG 33 -16.482 -3.596 -5.378
254 1HG ARG 33 2HG ARG 33 -14.697 -1.885 -6.167
255 2HG ARG 33 1HG ARG 33 -13.649 -2.735 -5.029
256 1HD ARG 33 2HD ARG 33 -13.387 -3.706 -7.213
257 2HD ARG 33 1HD ARG 33 -14.209 -4.860 -6.165
258 HE ARG 33 HE ARG 33 -16.279 -3.683 -7.359
259 1HH1 ARG 33 1HH2 ARG 33 -13.294 -4.915 -8.661
260 2HH1 ARG 33 2HH2 ARG 33 -13.978 -5.314 -10.203
261 1HH2 ARG 33 2HH1 ARG 33 -17.193 -4.210 -9.388
262 2HH2 ARG 33 1HH1 ARG 33 -16.192 -4.917 -10.613
263 H SER 34 H SER 34 -18.525 -2.838 -4.905
264 HA SER 34 HA SER 34 -19.730 -0.453 -5.906
265 1HB SER 34 2HB SER 34 -19.799 -1.164 -8.311
266 2HB SER 34 1HB SER 34 -18.189 -0.710 -7.751
267 HG SER 34 HG SER 34 -18.623 -2.825 -8.992
268 H GLY 35 H GLY 35 -21.925 -0.729 -6.019
269 1HA GLY 35 2HA GLY 35 -22.895 -3.524 -5.834
270 2HA GLY 35 1HA GLY 35 -23.555 -2.213 -4.877
271 H GLU 36 H GLU 36 -25.513 -3.110 -5.711
272 HA GLU 36 HA GLU 36 -26.691 -1.485 -7.661
273 1HB GLU 36 2HB GLU 36 -25.262 -3.449 -8.906
274 2HB GLU 36 1HB GLU 36 -26.817 -4.246 -8.733
275 1HG GLU 36 2HG GLU 36 -27.904 -2.390 -9.880
276 2HG GLU 36 1HG GLU 36 -26.344 -1.585 -10.054
277 H CYS 37 H CYS 37 -28.573 -3.762 -8.437
278 HA CYS 37 HA CYS 37 -29.663 -4.527 -5.858
279 1HB CYS 37 2HB CYS 37 -30.616 -2.219 -7.190
280 2HB CYS 37 1HB CYS 37 -31.868 -3.444 -7.359
281 H PHE 38 H PHE 38 -30.800 -6.399 -5.894
282 HA PHE 38 HA PHE 38 -31.761 -7.439 -8.448
283 1HB PHE 38 2HB PHE 38 -29.811 -8.915 -6.667
284 2HB PHE 38 1HB PHE 38 -30.785 -9.715 -7.886
285 HD1 PHE 38 HD1 PHE 38 -30.549 -7.844 -10.188
286 HD2 PHE 38 HD2 PHE 38 -27.637 -9.151 -7.362
287 HE1 PHE 38 HE1 PHE 38 -28.774 -7.435 -11.826
288 HE2 PHE 38 HE2 PHE 38 -25.862 -8.730 -8.996
289 HZ PHE 38 HZ PHE 38 -26.427 -7.875 -11.237
290 H TYR 39 H TYR 39 -33.253 -9.213 -8.233
291 HA TYR 39 HA TYR 39 -35.024 -8.815 -6.047
292 1HB TYR 39 2HB TYR 39 -35.006 -10.542 -8.470
293 2HB TYR 39 1HB TYR 39 -36.150 -10.901 -7.180
294 HD1 TYR 39 HD1 TYR 39 -34.956 -8.051 -9.264
295 HD2 TYR 39 HD2 TYR 39 -38.214 -9.833 -7.181
296 HE1 TYR 39 HE1 TYR 39 -36.457 -6.315 -10.145
297 HE2 TYR 39 HE2 TYR 39 -39.726 -8.104 -8.069
298 HH TYR 39 HH TYR 39 -39.899 -6.245 -9.275
299 H ASP 40 H ASP 40 -35.981 -10.749 -4.866
300 HA ASP 40 HA ASP 40 -34.245 -12.957 -4.318
301 1HB ASP 40 2HB ASP 40 -33.736 -12.423 -2.003
302 2HB ASP 40 1HB ASP 40 -33.112 -11.156 -3.054
303 H GLU 41 H GLU 41 -35.159 -13.452 -1.689
304 HA GLU 41 HA GLU 41 -37.557 -14.792 -2.229
305 1HB GLU 41 2HB GLU 41 -37.609 -15.216 0.222
306 2HB GLU 41 1HB GLU 41 -36.058 -15.589 -0.518
307 1HG GLU 41 2HG GLU 41 -35.099 -13.564 0.328
308 2HG GLU 41 1HG GLU 41 -36.667 -13.019 0.920
309 H LYS 42 H LYS 42 -37.058 -11.523 -1.553
310 HA LYS 42 HA LYS 42 -39.667 -11.154 -0.289
311 1HB LYS 42 2HB LYS 42 -37.608 -9.943 0.507
312 2HB LYS 42 1HB LYS 42 -37.632 -9.042 -1.002
313 1HG LYS 42 2HG LYS 42 -39.056 -7.573 -0.110
314 2HG LYS 42 1HG LYS 42 -40.233 -8.863 0.137
315 1HD LYS 42 2HD LYS 42 -37.987 -8.311 2.064
316 2HD LYS 42 1HD LYS 42 -39.569 -7.540 2.189
317 1HE LYS 42 2HE LYS 42 -39.513 -10.495 1.925
318 2HE LYS 42 1HE LYS 42 -38.970 -9.812 3.458
319 1HZ LYS 42 1HZ LYS 42 -41.183 -8.452 3.191
320 2HZ LYS 42 3HZ LYS 42 -41.634 -9.784 2.251
321 3HZ LYS 42 2HZ LYS 42 -41.181 -10.003 3.866
322 H ARG 43 H ARG 43 -38.903 -11.726 -3.317
323 HA ARG 43 HA ARG 43 -39.702 -11.159 -5.362
324 1HB ARG 43 2HB ARG 43 -41.933 -11.324 -5.433
325 2HB ARG 43 1HB ARG 43 -41.800 -11.543 -3.697
326 1HG ARG 43 2HG ARG 43 -42.259 -9.163 -3.367
327 2HG ARG 43 1HG ARG 43 -42.402 -8.958 -5.115
328 1HD ARG 43 2HD ARG 43 -44.599 -9.233 -4.411
329 2HD ARG 43 1HD ARG 43 -44.122 -10.829 -4.995
330 HE ARG 43 HE ARG 43 -43.629 -11.254 -2.515
331 1HH1 ARG 43 1HH2 ARG 43 -46.209 -9.248 -3.719
332 2HH1 ARG 43 2HH2 ARG 43 -47.211 -9.480 -2.326
333 1HH2 ARG 43 2HH1 ARG 43 -44.935 -11.563 -0.679
334 2HH2 ARG 43 1HH1 ARG 43 -46.486 -10.798 -0.595
335 H ASN 44 H ASN 44 -38.697 -8.907 -3.294
336 HA ASN 44 HA ASN 44 -39.398 -6.608 -4.981
337 1HB ASN 44 2HB ASN 44 -38.102 -6.725 -2.244
338 2HB ASN 44 1HB ASN 44 -38.458 -5.243 -3.129
339 1HD2 ASN 44 2HD2 ASN 44 -42.032 -6.823 -2.734
340 2HD2 ASN 44 1HD2 ASN 44 -40.875 -7.207 -3.959
341 H LEU 45 H LEU 45 -36.787 -5.467 -3.633
342 HA LEU 45 HA LEU 45 -34.741 -6.887 -5.078
343 1HB LEU 45 2HB LEU 45 -34.053 -4.562 -6.131
344 2HB LEU 45 1HB LEU 45 -35.118 -5.683 -6.959
345 HG LEU 45 HG LEU 45 -36.148 -3.420 -5.257
346 1HD1 LEU 45 2HD1 LEU 45 -34.722 -2.527 -7.041
347 2HD1 LEU 45 1HD1 LEU 45 -35.672 -3.417 -8.233
348 3HD1 LEU 45 3HD1 LEU 45 -36.425 -2.131 -7.289
349 1HD2 LEU 45 3HD2 LEU 45 -37.348 -5.524 -6.945
350 2HD2 LEU 45 2HD2 LEU 45 -38.012 -4.647 -5.566
351 3HD2 LEU 45 1HD2 LEU 45 -38.013 -3.905 -7.161
352 H GLN 46 H GLN 46 -33.104 -7.017 -3.820
353 HA GLN 46 HA GLN 46 -32.691 -5.019 -1.726
354 1HB GLN 46 2HB GLN 46 -31.749 -7.843 -2.120
355 2HB GLN 46 1HB GLN 46 -30.980 -6.788 -0.942
356 1HG GLN 46 2HG GLN 46 -33.901 -7.512 -0.995
357 2HG GLN 46 1HG GLN 46 -32.683 -8.223 0.065
358 1HE2 GLN 46 2HE2 GLN 46 -32.368 -4.578 1.289
359 2HE2 GLN 46 1HE2 GLN 46 -31.451 -5.402 0.079
360 H CYS 47 H CYS 47 -30.663 -4.117 -1.294
361 HA CYS 47 HA CYS 47 -29.152 -3.444 -3.644
362 1HB CYS 47 2HB CYS 47 -29.548 -2.367 -0.998
363 2HB CYS 47 1HB CYS 47 -27.826 -2.448 -1.347
364 H ILE 48 H ILE 48 -27.635 -4.732 -4.428
365 HA ILE 48 HA ILE 48 -26.130 -6.464 -2.593
366 HB ILE 48 HB ILE 48 -25.428 -7.150 -5.249
367 1HG1 ILE 48 2HG1 ILE 48 -28.052 -7.836 -5.701
368 2HG1 ILE 48 1HG1 ILE 48 -28.228 -6.215 -5.092
369 1HG2 ILE 48 1HG2 ILE 48 -25.578 -8.634 -3.288
370 2HG2 ILE 48 3HG2 ILE 48 -27.338 -8.552 -3.387
371 3HG2 ILE 48 2HG2 ILE 48 -26.414 -9.277 -4.703
372 1HD1 ILE 48 1HD1 ILE 48 -26.403 -6.977 -7.343
373 2HD1 ILE 48 3HD1 ILE 48 -28.030 -6.327 -7.541
374 3HD1 ILE 48 2HD1 ILE 48 -26.771 -5.357 -6.778
375 H CYS 49 H CYS 49 -24.258 -5.700 -1.911
376 HA CYS 49 HA CYS 49 -22.748 -3.838 -3.594
377 1HB CYS 49 2HB CYS 49 -22.198 -4.501 -0.712
378 2HB CYS 49 1HB CYS 49 -21.640 -3.102 -1.623
379 H ASP 50 H ASP 50 -20.814 -4.269 -4.435
380 HA ASP 50 HA ASP 50 -19.796 -6.992 -4.145
381 1HB ASP 50 2HB ASP 50 -20.221 -5.786 -6.413
382 2HB ASP 50 1HB ASP 50 -18.699 -4.968 -6.075
383 H TYR 51 H TYR 51 -18.308 -7.373 -2.751
384 HA TYR 51 HA TYR 51 -16.475 -5.261 -1.871
385 1HB TYR 51 2HB TYR 51 -17.279 -7.910 -0.681
386 2HB TYR 51 1HB TYR 51 -16.074 -6.844 0.036
387 HD1 TYR 51 HD1 TYR 51 -19.631 -7.376 -0.620
388 HD2 TYR 51 HD2 TYR 51 -16.759 -4.765 1.123
389 HE1 TYR 51 HE1 TYR 51 -21.431 -6.208 0.576
390 HE2 TYR 51 HE2 TYR 51 -18.555 -3.587 2.325
391 HH TYR 51 HH TYR 51 -21.570 -3.586 1.592
392 H CYS 52 H CYS 52 -15.601 -6.020 -4.248
393 HA CYS 52 HA CYS 52 -13.729 -8.250 -3.925
394 1HB CYS 52 2HB CYS 52 -15.181 -7.101 -6.125
395 2HB CYS 52 1HB CYS 52 -13.467 -7.134 -6.510
396 H GLU 53 H GLU 53 -13.470 -5.501 -2.699
397 HA GLU 53 HA GLU 53 -11.223 -4.294 -4.012
398 1HB GLU 53 2HB GLU 53 -12.857 -2.998 -2.667
399 2HB GLU 53 1HB GLU 53 -12.276 -3.812 -1.220
400 1HG GLU 53 2HG GLU 53 -10.366 -2.596 -1.131
401 2HG GLU 53 1HG GLU 53 -10.238 -2.470 -2.884
402 H TYR 54 HN TYR 54 -11.393 -7.124 -2.475
403 HA TYR 54 HA TYR 54 -8.939 -6.854 -0.911
404 1HB TYR 54 2HB TYR 54 -11.184 -8.759 -1.001
405 2HB TYR 54 1HB TYR 54 -9.611 -9.509 -0.756
406 HD1 TYR 54 HD2 TYR 54 -12.114 -7.237 0.664
407 HD2 TYR 54 HD1 TYR 54 -8.356 -9.136 1.277
408 HE1 TYR 54 HE2 TYR 54 -12.210 -6.645 3.049
409 HE2 TYR 54 HE1 TYR 54 -8.442 -8.550 3.665
410 HH TYR 54 HH TYR 54 -9.934 -6.395 4.976
No H/Q in entry = 410
Start of MODEL 25
1 HN PCA 1 HN PCA 1 -23.736 -16.531 -11.126
2 HA PCA 1 HA PCA 1 -22.472 -14.340 -11.340
3 1HB PCA 1 1HB PCA 1 -23.621 -12.705 -12.401
4 2HB PCA 1 2HB PCA 1 -24.698 -12.557 -10.992
5 1HG PCA 1 1HG PCA 1 -25.277 -13.757 -13.545
6 2HG PCA 1 2HG PCA 1 -26.331 -13.687 -12.121
7 H ASP 2 H ASP 2 -21.563 -14.095 -9.403
8 HA ASP 2 HA ASP 2 -22.863 -13.047 -7.150
9 1HB ASP 2 2HB ASP 2 -22.746 -15.098 -5.678
10 2HB ASP 2 1HB ASP 2 -24.000 -15.139 -6.911
11 H LYS 3 H LYS 3 -21.319 -14.316 -5.115
12 HA LYS 3 HA LYS 3 -19.261 -14.343 -4.155
13 1HB LYS 3 2HB LYS 3 -18.019 -14.091 -6.888
14 2HB LYS 3 1HB LYS 3 -17.315 -14.780 -5.435
15 1HG LYS 3 2HG LYS 3 -18.916 -16.635 -5.549
16 2HG LYS 3 1HG LYS 3 -19.583 -15.952 -7.032
17 1HD LYS 3 2HD LYS 3 -17.239 -16.091 -7.988
18 2HD LYS 3 1HD LYS 3 -16.823 -17.067 -6.578
19 1HE LYS 3 2HE LYS 3 -18.308 -18.783 -7.199
20 2HE LYS 3 1HE LYS 3 -19.137 -17.756 -8.366
21 1HZ LYS 3 3HZ LYS 3 -16.291 -18.213 -8.800
22 2HZ LYS 3 2HZ LYS 3 -17.321 -19.528 -9.070
23 3HZ LYS 3 1HZ LYS 3 -17.550 -18.086 -9.923
24 H CYS 4 H CYS 4 -17.655 -12.889 -3.462
25 HA CYS 4 HA CYS 4 -16.951 -10.814 -2.861
26 1HB CYS 4 2HB CYS 4 -16.681 -11.001 -5.790
27 2HB CYS 4 1HB CYS 4 -16.612 -9.363 -5.155
28 H LYS 5 H LYS 5 -19.593 -10.996 -2.419
29 HA LYS 5 HA LYS 5 -20.446 -8.253 -2.870
30 1HB LYS 5 2HB LYS 5 -22.426 -8.680 -3.950
31 2HB LYS 5 1HB LYS 5 -21.409 -9.927 -4.649
32 1HG LYS 5 2HG LYS 5 -23.357 -10.331 -2.382
33 2HG LYS 5 1HG LYS 5 -23.630 -10.753 -4.071
34 1HD LYS 5 2HD LYS 5 -21.662 -12.267 -3.957
35 2HD LYS 5 1HD LYS 5 -21.546 -11.923 -2.232
36 1HE LYS 5 2HE LYS 5 -22.732 -13.994 -2.542
37 2HE LYS 5 1HE LYS 5 -23.853 -12.771 -1.949
38 1HZ LYS 5 3HZ LYS 5 -23.739 -12.872 -4.809
39 2HZ LYS 5 2HZ LYS 5 -24.223 -14.346 -4.135
40 3HZ LYS 5 1HZ LYS 5 -25.081 -12.932 -3.782
41 H LYS 6 H LYS 6 -22.131 -7.551 -1.409
42 HA LYS 6 HA LYS 6 -22.817 -9.327 0.782
43 1HB LYS 6 2HB LYS 6 -21.339 -6.752 1.343
44 2HB LYS 6 1HB LYS 6 -21.887 -7.933 2.523
45 1HG LYS 6 2HG LYS 6 -20.339 -9.587 1.462
46 2HG LYS 6 1HG LYS 6 -19.701 -8.265 0.483
47 1HD LYS 6 2HD LYS 6 -18.909 -7.114 2.412
48 2HD LYS 6 1HD LYS 6 -19.771 -8.208 3.495
49 1HE LYS 6 2HE LYS 6 -18.285 -9.955 3.111
50 2HE LYS 6 1HE LYS 6 -17.696 -9.252 1.605
51 1HZ LYS 6 2HZ LYS 6 -17.031 -7.374 3.411
52 2HZ LYS 6 1HZ LYS 6 -16.830 -8.787 4.318
53 3HZ LYS 6 3HZ LYS 6 -15.988 -8.588 2.863
54 H VAL 7 H VAL 7 -24.944 -9.074 0.855
55 HA VAL 7 HA VAL 7 -26.308 -6.747 0.010
56 HB VAL 7 HB VAL 7 -28.141 -8.039 0.101
57 1HG1 VAL 7 3HG1 VAL 7 -26.257 -9.653 -0.434
58 2HG1 VAL 7 2HG1 VAL 7 -26.450 -10.249 1.214
59 3HG1 VAL 7 1HG1 VAL 7 -27.793 -10.352 0.077
60 1HG2 VAL 7 2HG2 VAL 7 -27.404 -8.671 2.957
61 2HG2 VAL 7 1HG2 VAL 7 -28.661 -7.576 2.380
62 3HG2 VAL 7 3HG2 VAL 7 -28.835 -9.316 2.153
63 H TYR 8 H TYR 8 -27.360 -5.138 1.156
64 HA TYR 8 HA TYR 8 -26.131 -4.286 3.546
65 1HB TYR 8 2HB TYR 8 -27.418 -2.901 1.775
66 2HB TYR 8 1HB TYR 8 -28.851 -3.350 2.688
67 HD1 TYR 8 HD2 TYR 8 -28.409 -3.013 5.382
68 HD2 TYR 8 HD1 TYR 8 -26.596 -0.814 2.225
69 HE1 TYR 8 HE2 TYR 8 -27.994 -1.154 6.927
70 HE2 TYR 8 HE1 TYR 8 -26.176 1.060 3.764
71 HH TYR 8 HH TYR 8 -27.043 0.836 7.202
72 H GLU 9 H GLU 9 -29.537 -4.885 3.149
73 HA GLU 9 HA GLU 9 -30.860 -6.489 4.202
74 1HB GLU 9 2HB GLU 9 -30.241 -7.736 6.038
75 2HB GLU 9 1HB GLU 9 -28.712 -7.471 5.227
76 1HG GLU 9 2HG GLU 9 -28.047 -7.003 7.337
77 2HG GLU 9 1HG GLU 9 -28.647 -5.400 6.937
78 H ASN 10 H ASN 10 -32.363 -4.913 4.185
79 HA ASN 10 HA ASN 10 -34.086 -4.020 5.542
80 1HB ASN 10 2HB ASN 10 -32.719 -4.409 7.640
81 2HB ASN 10 1HB ASN 10 -31.969 -2.840 7.341
82 1HD2 ASN 10 2HD2 ASN 10 -35.839 -3.095 8.593
83 2HD2 ASN 10 1HD2 ASN 10 -35.041 -4.457 7.891
84 H TYR 11 H TYR 11 -31.361 -2.738 4.041
85 HA TYR 11 HA TYR 11 -31.678 -0.007 4.199
86 1HB TYR 11 2HB TYR 11 -29.848 -1.245 2.996
87 2HB TYR 11 1HB TYR 11 -30.974 -1.480 1.661
88 HD1 TYR 11 HD2 TYR 11 -29.424 1.199 3.733
89 HD2 TYR 11 HD1 TYR 11 -31.133 0.132 -0.014
90 HE1 TYR 11 HE2 TYR 11 -28.800 3.400 2.830
91 HE2 TYR 11 HE1 TYR 11 -30.515 2.330 -0.929
92 HH TYR 11 HH TYR 11 -28.998 4.135 -0.526
93 HA PRO 12 HA PRO 12 -35.956 0.467 2.743
94 1HB PRO 12 2HB PRO 12 -34.782 3.166 2.174
95 2HB PRO 12 1HB PRO 12 -36.345 2.752 2.889
96 1HG PRO 12 2HG PRO 12 -34.315 3.551 4.417
97 2HG PRO 12 1HG PRO 12 -35.424 2.280 4.961
98 1HD PRO 12 2HD PRO 12 -32.614 2.070 4.037
99 2HD PRO 12 1HD PRO 12 -33.520 1.026 5.150
100 H VAL 13 H VAL 13 -36.300 -0.535 0.844
101 HA VAL 13 HA VAL 13 -34.706 -0.507 -1.410
102 HB VAL 13 HB VAL 13 -37.699 -0.872 -1.242
103 1HG1 VAL 13 2HG1 VAL 13 -35.790 -1.109 -3.523
104 2HG1 VAL 13 1HG1 VAL 13 -37.172 -2.201 -3.429
105 3HG1 VAL 13 3HG1 VAL 13 -37.428 -0.458 -3.490
106 1HG2 VAL 13 2HG2 VAL 13 -36.354 -2.478 0.057
107 2HG2 VAL 13 1HG2 VAL 13 -37.197 -3.243 -1.291
108 3HG2 VAL 13 3HG2 VAL 13 -35.472 -2.901 -1.411
109 H SER 14 H SER 14 -37.853 1.138 -1.284
110 HA SER 14 HA SER 14 -38.596 2.740 -2.839
111 1HB SER 14 2HB SER 14 -37.801 4.963 -1.913
112 2HB SER 14 1HB SER 14 -38.489 3.850 -0.732
113 HG SER 14 HG SER 14 -36.620 3.728 0.227
114 H LYS 15 H LYS 15 -35.632 4.452 -2.339
115 HA LYS 15 HA LYS 15 -35.273 4.890 -5.126
116 1HB LYS 15 2HB LYS 15 -34.595 6.576 -3.511
117 2HB LYS 15 1HB LYS 15 -33.450 5.461 -2.782
118 1HG LYS 15 2HG LYS 15 -32.214 6.966 -4.134
119 2HG LYS 15 1HG LYS 15 -32.229 5.411 -4.965
120 1HD LYS 15 2HD LYS 15 -32.603 7.292 -6.502
121 2HD LYS 15 1HD LYS 15 -33.981 6.195 -6.454
122 1HE LYS 15 2HE LYS 15 -35.326 7.712 -5.391
123 2HE LYS 15 1HE LYS 15 -33.974 8.521 -4.601
124 1HZ LYS 15 1HZ LYS 15 -34.169 8.707 -7.514
125 2HZ LYS 15 3HZ LYS 15 -35.257 9.618 -6.593
126 3HZ LYS 15 2HZ LYS 15 -33.591 9.837 -6.398
127 H CYS 16 H CYS 16 -34.641 3.295 -6.447
128 HA CYS 16 HA CYS 16 -32.088 2.127 -6.226
129 1HB CYS 16 2HB CYS 16 -34.145 0.795 -4.758
130 2HB CYS 16 1HB CYS 16 -33.675 -0.248 -6.091
131 H GLN 17 H GLN 17 -32.923 3.435 -8.270
132 HA GLN 17 HA GLN 17 -33.337 1.416 -10.346
133 1HB GLN 17 2HB GLN 17 -34.860 4.023 -10.335
134 2HB GLN 17 1HB GLN 17 -35.030 2.693 -11.473
135 1HG GLN 17 2HG GLN 17 -35.618 1.359 -9.269
136 2HG GLN 17 1HG GLN 17 -36.059 2.969 -8.705
137 1HE2 GLN 17 2HE2 GLN 17 -39.143 1.690 -10.045
138 2HE2 GLN 17 1HE2 GLN 17 -38.119 1.528 -8.664
139 H LEU 18 H LEU 18 -31.133 3.178 -9.295
140 HA LEU 18 HA LEU 18 -29.949 3.832 -11.785
141 1HB LEU 18 2HB LEU 18 -31.361 5.933 -10.309
142 2HB LEU 18 1HB LEU 18 -29.696 6.351 -10.666
143 HG LEU 18 HG LEU 18 -31.353 5.272 -12.881
144 1HD1 LEU 18 2HD1 LEU 18 -31.637 8.045 -11.749
145 2HD1 LEU 18 1HD1 LEU 18 -32.140 7.593 -13.377
146 3HD1 LEU 18 3HD1 LEU 18 -32.904 6.840 -11.978
147 1HD2 LEU 18 3HD2 LEU 18 -29.214 7.383 -12.676
148 2HD2 LEU 18 2HD2 LEU 18 -29.025 5.741 -13.292
149 3HD2 LEU 18 1HD2 LEU 18 -30.020 6.902 -14.170
150 H ALA 19 H ALA 19 -27.849 3.489 -11.556
151 HA ALA 19 HA ALA 19 -26.644 2.771 -9.153
152 1HB ALA 19 1HB ALA 19 -25.634 3.461 -11.866
153 2HB ALA 19 3HB ALA 19 -24.477 3.305 -10.543
154 3HB ALA 19 2HB ALA 19 -25.519 1.946 -10.968
155 H ASN 20 H ASN 20 -26.710 4.184 -7.480
156 HA ASN 20 HA ASN 20 -24.794 6.225 -7.330
157 1HB ASN 20 2HB ASN 20 -26.383 7.457 -8.769
158 2HB ASN 20 1HB ASN 20 -27.637 7.241 -7.552
159 1HD2 ASN 20 2HD2 ASN 20 -24.877 9.267 -5.592
160 2HD2 ASN 20 1HD2 ASN 20 -24.871 7.561 -5.865
161 H GLN 21 H GLN 21 -28.112 5.995 -6.053
162 HA GLN 21 HA GLN 21 -27.590 6.621 -3.438
163 1HB GLN 21 2HB GLN 21 -29.852 6.401 -4.177
164 2HB GLN 21 1HB GLN 21 -29.618 4.711 -4.599
165 1HG GLN 21 2HG GLN 21 -30.907 4.922 -2.564
166 2HG GLN 21 1HG GLN 21 -29.356 4.150 -2.243
167 1HE2 GLN 21 2HE2 GLN 21 -28.051 6.915 -0.416
168 2HE2 GLN 21 1HE2 GLN 21 -27.606 5.677 -1.536
169 H CYS 22 H CYS 22 -28.218 3.236 -4.339
170 HA CYS 22 HA CYS 22 -26.996 2.132 -2.084
171 1HB CYS 22 2HB CYS 22 -28.574 1.052 -3.841
172 2HB CYS 22 1HB CYS 22 -27.089 0.674 -4.708
173 H ASN 23 H ASN 23 -25.688 2.819 -5.292
174 HA ASN 23 HA ASN 23 -23.246 1.531 -5.122
175 1HB ASN 23 2HB ASN 23 -24.338 2.915 -7.057
176 2HB ASN 23 1HB ASN 23 -23.422 4.252 -6.369
177 1HD2 ASN 23 2HD2 ASN 23 -20.948 3.242 -8.622
178 2HD2 ASN 23 1HD2 ASN 23 -22.211 4.372 -8.287
179 H TYR 24 H TYR 24 -23.625 5.038 -4.621
180 HA TYR 24 HA TYR 24 -21.171 5.490 -3.448
181 1HB TYR 24 2HB TYR 24 -22.049 7.550 -3.735
182 2HB TYR 24 1HB TYR 24 -23.691 6.929 -3.699
183 HD1 TYR 24 HD1 TYR 24 -20.993 7.133 -1.129
184 HD2 TYR 24 HD2 TYR 24 -24.967 8.163 -2.241
185 HE1 TYR 24 HE1 TYR 24 -21.328 8.177 1.067
186 HE2 TYR 24 HE2 TYR 24 -25.314 9.210 -0.044
187 HH TYR 24 HH TYR 24 -23.708 10.282 1.761
188 H ASP 25 H ASP 25 -24.226 4.615 -1.856
189 HA ASP 25 HA ASP 25 -23.435 4.783 0.780
190 1HB ASP 25 2HB ASP 25 -25.471 3.240 -0.706
191 2HB ASP 25 1HB ASP 25 -25.016 2.548 0.848
192 H CYS 26 H CYS 26 -23.397 1.740 -1.113
193 HA CYS 26 HA CYS 26 -21.869 0.287 0.704
194 1HB CYS 26 2HB CYS 26 -21.907 0.047 -2.317
195 2HB CYS 26 1HB CYS 26 -21.249 -1.155 -1.218
196 H LYS 27 H LYS 27 -20.947 2.591 -1.752
197 HA LYS 27 HA LYS 27 -18.196 2.085 -1.847
198 1HB LYS 27 2HB LYS 27 -19.765 3.621 -3.302
199 2HB LYS 27 1HB LYS 27 -19.266 4.862 -2.166
200 1HG LYS 27 2HG LYS 27 -17.251 5.087 -3.127
201 2HG LYS 27 1HG LYS 27 -17.001 3.347 -3.220
202 1HD LYS 27 2HD LYS 27 -18.295 3.217 -5.249
203 2HD LYS 27 1HD LYS 27 -18.736 4.921 -5.119
204 1HE LYS 27 2HE LYS 27 -16.456 5.594 -5.469
205 2HE LYS 27 1HE LYS 27 -15.909 3.919 -5.409
206 1HZ LYS 27 1HZ LYS 27 -17.912 4.190 -7.373
207 2HZ LYS 27 3HZ LYS 27 -16.717 5.359 -7.640
208 3HZ LYS 27 2HZ LYS 27 -16.298 3.722 -7.566
209 H LEU 28 H LEU 28 -19.843 2.841 0.858
210 HA LEU 28 HA LEU 28 -17.472 3.706 2.220
211 1HB LEU 28 2HB LEU 28 -18.661 5.772 1.088
212 2HB LEU 28 1HB LEU 28 -19.715 5.653 2.485
213 HG LEU 28 HG LEU 28 -17.316 5.588 3.729
214 1HD1 LEU 28 3HD1 LEU 28 -16.070 5.820 1.634
215 2HD1 LEU 28 2HD1 LEU 28 -16.893 7.348 1.320
216 3HD1 LEU 28 1HD1 LEU 28 -15.814 7.198 2.706
217 1HD2 LEU 28 1HD2 LEU 28 -18.782 8.077 2.860
218 2HD2 LEU 28 3HD2 LEU 28 -19.160 7.085 4.269
219 3HD2 LEU 28 2HD2 LEU 28 -17.635 7.969 4.196
220 H ASP 29 H ASP 29 -20.862 2.907 2.245
221 HA ASP 29 HA ASP 29 -21.202 2.937 5.069
222 1HB ASP 29 2HB ASP 29 -22.747 1.769 2.777
223 2HB ASP 29 1HB ASP 29 -23.167 1.331 4.430
224 H LYS 30 H LYS 30 -19.979 0.594 2.795
225 HA LYS 30 HA LYS 30 -19.235 -1.136 5.036
226 1HB LYS 30 2HB LYS 30 -20.893 -1.936 2.668
227 2HB LYS 30 1HB LYS 30 -19.829 -3.108 3.431
228 1HG LYS 30 2HG LYS 30 -20.981 -2.917 5.508
229 2HG LYS 30 1HG LYS 30 -21.931 -1.553 4.917
230 1HD LYS 30 2HD LYS 30 -22.076 -4.087 3.374
231 2HD LYS 30 1HD LYS 30 -22.872 -4.054 4.949
232 1HE LYS 30 2HE LYS 30 -24.151 -3.343 2.763
233 2HE LYS 30 1HE LYS 30 -24.418 -2.501 4.288
234 1HZ LYS 30 1HZ LYS 30 -22.357 -1.129 3.241
235 2HZ LYS 30 3HZ LYS 30 -23.217 -1.547 1.844
236 3HZ LYS 30 2HZ LYS 30 -23.981 -0.686 3.083
237 H HIS 31 H HIS 31 -17.615 0.654 3.635
238 HA HIS 31 HA HIS 31 -15.830 0.819 2.161
239 1HB HIS 31 2HB HIS 31 -14.816 -1.682 3.439
240 2HB HIS 31 1HB HIS 31 -13.994 -0.151 3.167
241 HD1 HIS 31 HD1 HIS 31 -14.945 -2.078 5.863
242 HD2 HIS 31 HD2 HIS 31 -15.594 1.916 4.922
243 HE1 HIS 31 HE1 HIS 31 -15.428 -0.943 8.052
244 HE2 HIS 31 HE2 HIS 31 -15.699 1.492 7.472
245 H ALA 32 H ALA 32 -17.828 -0.406 0.715
246 HA ALA 32 HA ALA 32 -16.725 -2.819 -0.476
247 1HB ALA 32 3HB ALA 32 -19.285 -2.042 -0.039
248 2HB ALA 32 2HB ALA 32 -19.089 -1.587 -1.731
249 3HB ALA 32 1HB ALA 32 -18.810 -3.255 -1.228
250 H ARG 33 H ARG 33 -17.095 -2.815 -3.024
251 HA ARG 33 HA ARG 33 -15.379 -0.674 -4.045
252 1HB ARG 33 2HB ARG 33 -14.653 -2.963 -4.496
253 2HB ARG 33 1HB ARG 33 -16.197 -3.327 -5.254
254 1HG ARG 33 2HG ARG 33 -15.730 -1.987 -7.117
255 2HG ARG 33 1HG ARG 33 -14.401 -1.163 -6.298
256 1HD ARG 33 2HD ARG 33 -14.471 -4.033 -7.219
257 2HD ARG 33 1HD ARG 33 -13.499 -2.727 -7.894
258 HE ARG 33 HE ARG 33 -12.809 -4.358 -5.708
259 1HH1 ARG 33 1HH2 ARG 33 -12.703 -1.026 -6.723
260 2HH1 ARG 33 2HH2 ARG 33 -11.314 -0.644 -5.761
261 1HH2 ARG 33 2HH1 ARG 33 -10.982 -3.861 -4.437
262 2HH2 ARG 33 1HH1 ARG 33 -10.340 -2.251 -4.459
263 H SER 34 H SER 34 -18.600 -1.797 -4.077
264 HA SER 34 HA SER 34 -19.674 0.445 -5.315
265 1HB SER 34 2HB SER 34 -20.496 -0.877 -7.443
266 2HB SER 34 1HB SER 34 -18.924 -0.077 -7.448
267 HG SER 34 HG SER 34 -17.993 -2.097 -6.896
268 H GLY 35 H GLY 35 -22.017 -0.292 -6.313
269 1HA GLY 35 2HA GLY 35 -23.146 -2.540 -4.909
270 2HA GLY 35 1HA GLY 35 -23.607 -0.989 -4.224
271 H GLU 36 H GLU 36 -25.548 -2.630 -5.142
272 HA GLU 36 HA GLU 36 -26.959 -1.007 -6.924
273 1HB GLU 36 2HB GLU 36 -25.153 -2.786 -8.224
274 2HB GLU 36 1HB GLU 36 -26.779 -3.375 -8.539
275 1HG GLU 36 2HG GLU 36 -25.690 -0.635 -9.137
276 2HG GLU 36 1HG GLU 36 -26.128 -1.892 -10.294
277 H CYS 37 H CYS 37 -29.087 -1.850 -7.418
278 HA CYS 37 HA CYS 37 -29.982 -3.657 -5.330
279 1HB CYS 37 2HB CYS 37 -31.092 -1.426 -6.768
280 2HB CYS 37 1HB CYS 37 -32.193 -2.796 -6.866
281 H PHE 38 H PHE 38 -29.804 -5.766 -5.791
282 HA PHE 38 HA PHE 38 -30.600 -6.702 -8.479
283 1HB PHE 38 2HB PHE 38 -28.677 -7.717 -6.433
284 2HB PHE 38 1HB PHE 38 -29.410 -8.861 -7.551
285 HD1 PHE 38 HD1 PHE 38 -27.156 -6.001 -7.213
286 HD2 PHE 38 HD2 PHE 38 -28.847 -8.839 -9.891
287 HE1 PHE 38 HE1 PHE 38 -25.481 -5.390 -8.906
288 HE2 PHE 38 HE2 PHE 38 -27.176 -8.233 -11.593
289 HZ PHE 38 HZ PHE 38 -25.489 -6.507 -11.100
290 H TYR 39 H TYR 39 -31.966 -8.538 -8.672
291 HA TYR 39 HA TYR 39 -33.961 -8.675 -6.601
292 1HB TYR 39 2HB TYR 39 -33.892 -10.383 -9.076
293 2HB TYR 39 1HB TYR 39 -35.290 -9.897 -8.126
294 HD1 TYR 39 HD1 TYR 39 -32.766 -8.735 -10.555
295 HD2 TYR 39 HD2 TYR 39 -36.384 -7.811 -8.513
296 HE1 TYR 39 HE1 TYR 39 -33.131 -6.833 -12.072
297 HE2 TYR 39 HE2 TYR 39 -36.759 -5.909 -10.027
298 HH TYR 39 HH TYR 39 -35.776 -5.453 -12.688
299 H ASP 40 H ASP 40 -34.915 -11.021 -6.254
300 HA ASP 40 HA ASP 40 -33.075 -13.179 -6.107
301 1HB ASP 40 2HB ASP 40 -33.060 -13.290 -3.567
302 2HB ASP 40 1HB ASP 40 -32.049 -12.040 -4.285
303 H GLU 41 H GLU 41 -34.630 -14.384 -6.976
304 HA GLU 41 HA GLU 41 -36.739 -15.291 -7.264
305 1HB GLU 41 2HB GLU 41 -35.141 -16.782 -5.890
306 2HB GLU 41 1HB GLU 41 -36.180 -16.387 -4.528
307 1HG GLU 41 2HG GLU 41 -38.029 -17.462 -5.483
308 2HG GLU 41 1HG GLU 41 -37.276 -17.520 -7.077
309 H LYS 42 H LYS 42 -37.032 -12.661 -6.071
310 HA LYS 42 HA LYS 42 -39.646 -13.074 -4.850
311 1HB LYS 42 2HB LYS 42 -37.342 -11.715 -3.508
312 2HB LYS 42 1HB LYS 42 -38.991 -11.200 -3.171
313 1HG LYS 42 2HG LYS 42 -39.571 -13.285 -2.262
314 2HG LYS 42 1HG LYS 42 -38.129 -14.059 -2.919
315 1HD LYS 42 2HD LYS 42 -38.088 -13.542 -0.448
316 2HD LYS 42 1HD LYS 42 -36.717 -12.960 -1.394
317 1HE LYS 42 2HE LYS 42 -37.582 -11.297 0.237
318 2HE LYS 42 1HE LYS 42 -37.607 -10.735 -1.434
319 1HZ LYS 42 1HZ LYS 42 -40.044 -12.035 -0.707
320 2HZ LYS 42 3HZ LYS 42 -39.714 -10.723 0.310
321 3HZ LYS 42 2HZ LYS 42 -39.803 -10.495 -1.363
322 H ARG 43 H ARG 43 -37.807 -11.596 -7.100
323 HA ARG 43 HA ARG 43 -38.101 -9.840 -8.514
324 1HB ARG 43 2HB ARG 43 -40.863 -9.724 -7.286
325 2HB ARG 43 1HB ARG 43 -40.367 -8.906 -8.756
326 1HG ARG 43 2HG ARG 43 -40.061 -11.867 -8.560
327 2HG ARG 43 1HG ARG 43 -41.654 -11.175 -8.866
328 1HD ARG 43 2HD ARG 43 -40.571 -9.891 -10.772
329 2HD ARG 43 1HD ARG 43 -39.164 -10.930 -10.541
330 HE ARG 43 HE ARG 43 -41.546 -12.454 -10.820
331 1HH1 ARG 43 1HH2 ARG 43 -39.180 -10.644 -12.633
332 2HH1 ARG 43 2HH2 ARG 43 -39.458 -11.518 -14.102
333 1HH2 ARG 43 2HH1 ARG 43 -41.912 -13.602 -12.747
334 2HH2 ARG 43 1HH1 ARG 43 -41.011 -13.194 -14.169
335 H ASN 44 H ASN 44 -37.885 -9.587 -5.296
336 HA ASN 44 HA ASN 44 -38.227 -6.694 -5.115
337 1HB ASN 44 2HB ASN 44 -37.249 -8.525 -2.925
338 2HB ASN 44 1HB ASN 44 -37.993 -6.937 -2.763
339 1HD2 ASN 44 2HD2 ASN 44 -41.097 -8.742 -4.115
340 2HD2 ASN 44 1HD2 ASN 44 -39.921 -7.790 -4.949
341 H LEU 45 H LEU 45 -36.571 -5.277 -5.112
342 HA LEU 45 HA LEU 45 -33.948 -6.309 -5.771
343 1HB LEU 45 2HB LEU 45 -33.924 -3.458 -5.563
344 2HB LEU 45 1HB LEU 45 -33.809 -4.451 -7.000
345 HG LEU 45 HG LEU 45 -36.456 -3.706 -5.776
346 1HD1 LEU 45 2HD1 LEU 45 -34.722 -2.178 -7.686
347 2HD1 LEU 45 1HD1 LEU 45 -36.476 -2.000 -7.681
348 3HD1 LEU 45 3HD1 LEU 45 -35.545 -1.605 -6.236
349 1HD2 LEU 45 1HD2 LEU 45 -36.429 -5.595 -7.341
350 2HD2 LEU 45 3HD2 LEU 45 -37.286 -4.205 -8.010
351 3HD2 LEU 45 2HD2 LEU 45 -35.648 -4.571 -8.547
352 H GLN 46 H GLN 46 -32.467 -6.731 -4.331
353 HA GLN 46 HA GLN 46 -32.508 -5.391 -1.722
354 1HB GLN 46 2HB GLN 46 -32.116 -8.080 -2.491
355 2HB GLN 46 1HB GLN 46 -30.548 -7.519 -1.929
356 1HG GLN 46 2HG GLN 46 -31.490 -6.870 0.190
357 2HG GLN 46 1HG GLN 46 -33.111 -7.282 -0.368
358 1HE2 GLN 46 2HE2 GLN 46 -32.513 -10.253 1.404
359 2HE2 GLN 46 1HE2 GLN 46 -33.253 -8.692 1.445
360 H CYS 47 H CYS 47 -30.747 -4.235 -0.969
361 HA CYS 47 HA CYS 47 -29.033 -3.101 -2.944
362 1HB CYS 47 2HB CYS 47 -29.814 -2.493 -0.260
363 2HB CYS 47 1HB CYS 47 -28.057 -2.461 -0.345
364 H ILE 48 H ILE 48 -27.701 -4.618 -3.832
365 HA ILE 48 HA ILE 48 -26.005 -6.241 -2.120
366 HB ILE 48 HB ILE 48 -26.292 -6.155 -5.117
367 1HG1 ILE 48 2HG1 ILE 48 -27.340 -7.923 -2.924
368 2HG1 ILE 48 1HG1 ILE 48 -28.222 -7.158 -4.238
369 1HG2 ILE 48 3HG2 ILE 48 -24.606 -7.991 -3.414
370 2HG2 ILE 48 2HG2 ILE 48 -24.884 -8.175 -5.145
371 3HG2 ILE 48 1HG2 ILE 48 -24.006 -6.776 -4.543
372 1HD1 ILE 48 3HD1 ILE 48 -26.786 -8.750 -5.730
373 2HD1 ILE 48 2HD1 ILE 48 -26.622 -9.663 -4.231
374 3HD1 ILE 48 1HD1 ILE 48 -28.223 -9.344 -4.899
375 H CYS 49 H CYS 49 -24.081 -5.584 -1.452
376 HA CYS 49 HA CYS 49 -22.781 -3.338 -2.801
377 1HB CYS 49 2HB CYS 49 -22.131 -4.758 -0.208
378 2HB CYS 49 1HB CYS 49 -21.243 -3.380 -0.838
379 H ASP 50 H ASP 50 -21.394 -3.802 -4.398
380 HA ASP 50 HA ASP 50 -20.151 -6.432 -4.521
381 1HB ASP 50 2HB ASP 50 -19.914 -4.185 -6.524
382 2HB ASP 50 1HB ASP 50 -19.583 -5.895 -6.785
383 H TYR 51 H TYR 51 -18.051 -6.864 -4.241
384 HA TYR 51 HA TYR 51 -16.308 -4.639 -3.405
385 1HB TYR 51 2HB TYR 51 -16.468 -7.525 -2.619
386 2HB TYR 51 1HB TYR 51 -14.998 -6.600 -2.340
387 HD1 TYR 51 HD2 TYR 51 -18.681 -6.147 -1.829
388 HD2 TYR 51 HD1 TYR 51 -14.764 -5.743 -0.220
389 HE1 TYR 51 HE2 TYR 51 -19.638 -5.285 0.265
390 HE2 TYR 51 HE1 TYR 51 -15.711 -4.882 1.881
391 HH TYR 51 HH TYR 51 -17.661 -4.731 3.096
392 H CYS 52 H CYS 52 -16.652 -7.192 -5.732
393 HA CYS 52 HA CYS 52 -14.067 -6.415 -6.888
394 1HB CYS 52 2HB CYS 52 -14.829 -9.307 -6.913
395 2HB CYS 52 1HB CYS 52 -13.240 -8.566 -7.063
396 H GLU 53 H GLU 53 -17.218 -7.925 -7.337
397 HA GLU 53 HA GLU 53 -18.296 -8.573 -9.278
398 1HB GLU 53 2HB GLU 53 -18.447 -6.456 -10.836
399 2HB GLU 53 1HB GLU 53 -19.223 -6.469 -9.262
400 1HG GLU 53 2HG GLU 53 -17.542 -5.114 -8.310
401 2HG GLU 53 1HG GLU 53 -16.477 -5.334 -9.695
402 H TYR 54 HN TYR 54 -16.376 -6.317 -11.090
403 HA TYR 54 HA TYR 54 -14.425 -8.099 -12.064
404 1HB TYR 54 2HB TYR 54 -17.009 -7.958 -13.519
405 2HB TYR 54 1HB TYR 54 -15.547 -7.914 -14.501
406 HD1 TYR 54 HD2 TYR 54 -13.820 -9.769 -14.110
407 HD2 TYR 54 HD1 TYR 54 -17.843 -9.990 -12.760
408 HE1 TYR 54 HE2 TYR 54 -13.620 -12.214 -13.954
409 HE2 TYR 54 HE1 TYR 54 -17.661 -12.442 -12.599
410 HH TYR 54 HH TYR 54 -14.640 -14.077 -12.867
No H/Q in entry = 410
Start of MODEL 26
1 HN PCA 1 HN PCA 1 -25.284 -15.789 -1.316
2 HA PCA 1 HA PCA 1 -23.181 -17.066 -1.987
3 1HB PCA 1 1HB PCA 1 -22.782 -17.161 -4.212
4 2HB PCA 1 2HB PCA 1 -22.510 -15.404 -4.257
5 1HG PCA 1 1HG PCA 1 -24.849 -16.887 -5.113
6 2HG PCA 1 2HG PCA 1 -24.576 -15.136 -5.190
7 H ASP 2 H ASP 2 -20.909 -15.899 -2.395
8 HA ASP 2 HA ASP 2 -20.938 -13.268 -1.074
9 1HB ASP 2 2HB ASP 2 -19.095 -15.563 -0.351
10 2HB ASP 2 1HB ASP 2 -19.064 -13.948 0.352
11 H LYS 3 H LYS 3 -17.843 -14.313 -1.122
12 HA LYS 3 HA LYS 3 -16.012 -13.824 -2.370
13 1HB LYS 3 2HB LYS 3 -18.013 -14.449 -4.526
14 2HB LYS 3 1HB LYS 3 -16.372 -13.962 -4.922
15 1HG LYS 3 2HG LYS 3 -15.447 -15.884 -4.017
16 2HG LYS 3 1HG LYS 3 -16.872 -16.225 -3.031
17 1HD LYS 3 2HD LYS 3 -16.820 -16.341 -6.047
18 2HD LYS 3 1HD LYS 3 -16.597 -17.740 -4.996
19 1HE LYS 3 2HE LYS 3 -18.880 -16.792 -3.964
20 2HE LYS 3 1HE LYS 3 -19.050 -16.198 -5.616
21 1HZ LYS 3 1HZ LYS 3 -18.178 -18.906 -5.571
22 2HZ LYS 3 3HZ LYS 3 -19.625 -18.725 -4.714
23 3HZ LYS 3 2HZ LYS 3 -19.530 -18.230 -6.328
24 H CYS 4 H CYS 4 -16.062 -11.677 -1.486
25 HA CYS 4 HA CYS 4 -15.773 -9.440 -1.680
26 1HB CYS 4 2HB CYS 4 -15.361 -10.455 -4.342
27 2HB CYS 4 1HB CYS 4 -16.110 -8.865 -4.429
28 H LYS 5 H LYS 5 -18.526 -10.768 -3.462
29 HA LYS 5 HA LYS 5 -19.953 -8.239 -3.145
30 1HB LYS 5 2HB LYS 5 -21.648 -9.202 -4.593
31 2HB LYS 5 1HB LYS 5 -20.053 -9.276 -5.326
32 1HG LYS 5 2HG LYS 5 -19.885 -11.587 -4.990
33 2HG LYS 5 1HG LYS 5 -21.247 -11.605 -3.865
34 1HD LYS 5 2HD LYS 5 -22.745 -10.953 -5.667
35 2HD LYS 5 1HD LYS 5 -21.386 -10.934 -6.789
36 1HE LYS 5 2HE LYS 5 -22.562 -13.308 -5.358
37 2HE LYS 5 1HE LYS 5 -22.526 -13.006 -7.094
38 1HZ LYS 5 2HZ LYS 5 -19.976 -12.998 -6.719
39 2HZ LYS 5 1HZ LYS 5 -20.349 -13.865 -5.317
40 3HZ LYS 5 3HZ LYS 5 -20.800 -14.470 -6.832
41 H LYS 6 H LYS 6 -21.536 -7.878 -1.744
42 HA LYS 6 HA LYS 6 -22.869 -10.111 -0.429
43 1HB LYS 6 2HB LYS 6 -21.627 -7.918 1.227
44 2HB LYS 6 1HB LYS 6 -22.392 -9.395 1.794
45 1HG LYS 6 2HG LYS 6 -20.573 -10.723 0.975
46 2HG LYS 6 1HG LYS 6 -19.844 -9.317 0.194
47 1HD LYS 6 2HD LYS 6 -19.531 -8.268 2.382
48 2HD LYS 6 1HD LYS 6 -20.246 -9.680 3.161
49 1HE LYS 6 2HE LYS 6 -18.401 -10.979 2.806
50 2HE LYS 6 1HE LYS 6 -17.952 -10.129 1.328
51 1HZ LYS 6 2HZ LYS 6 -17.763 -8.757 3.927
52 2HZ LYS 6 1HZ LYS 6 -16.538 -9.819 3.444
53 3HZ LYS 6 3HZ LYS 6 -16.905 -8.464 2.499
54 H VAL 7 H VAL 7 -24.957 -9.694 0.019
55 HA VAL 7 HA VAL 7 -26.173 -7.379 -1.030
56 HB VAL 7 HB VAL 7 -28.190 -8.351 -0.593
57 1HG1 VAL 7 3HG1 VAL 7 -26.536 -10.001 -1.632
58 2HG1 VAL 7 2HG1 VAL 7 -26.581 -10.817 -0.067
59 3HG1 VAL 7 1HG1 VAL 7 -28.060 -10.634 -1.010
60 1HG2 VAL 7 3HG2 VAL 7 -27.003 -9.245 2.012
61 2HG2 VAL 7 2HG2 VAL 7 -28.403 -8.212 1.723
62 3HG2 VAL 7 1HG2 VAL 7 -28.506 -9.944 1.408
63 H TYR 8 H TYR 8 -27.416 -5.775 0.059
64 HA TYR 8 HA TYR 8 -26.178 -4.932 2.568
65 1HB TYR 8 2HB TYR 8 -26.617 -3.442 0.439
66 2HB TYR 8 1HB TYR 8 -28.240 -3.313 1.110
67 HD1 TYR 8 HD2 TYR 8 -27.989 -2.968 3.884
68 HD2 TYR 8 HD1 TYR 8 -25.360 -1.561 0.857
69 HE1 TYR 8 HE2 TYR 8 -27.234 -1.180 5.389
70 HE2 TYR 8 HE1 TYR 8 -24.588 0.233 2.356
71 HH TYR 8 HH TYR 8 -26.047 0.716 5.544
72 H GLU 9 H GLU 9 -27.191 -6.486 3.912
73 HA GLU 9 HA GLU 9 -29.925 -6.993 4.017
74 1HB GLU 9 2HB GLU 9 -29.237 -7.424 6.596
75 2HB GLU 9 1HB GLU 9 -28.880 -8.551 5.297
76 1HG GLU 9 2HG GLU 9 -26.844 -6.472 5.706
77 2HG GLU 9 1HG GLU 9 -27.045 -7.590 7.052
78 H ASN 10 H ASN 10 -31.282 -6.477 6.050
79 HA ASN 10 HA ASN 10 -32.702 -4.625 6.527
80 1HB ASN 10 2HB ASN 10 -31.594 -3.695 8.727
81 2HB ASN 10 1HB ASN 10 -32.153 -5.362 8.642
82 1HD2 ASN 10 2HD2 ASN 10 -28.147 -5.018 8.008
83 2HD2 ASN 10 1HD2 ASN 10 -29.283 -4.129 7.058
84 H TYR 11 H TYR 11 -32.843 -2.954 5.143
85 HA TYR 11 HA TYR 11 -31.719 -0.481 5.715
86 1HB TYR 11 2HB TYR 11 -29.590 -0.935 5.006
87 2HB TYR 11 1HB TYR 11 -30.116 -2.210 3.918
88 HD1 TYR 11 HD2 TYR 11 -30.830 -1.680 1.629
89 HD2 TYR 11 HD1 TYR 11 -29.396 1.347 4.256
90 HE1 TYR 11 HE2 TYR 11 -30.531 -0.167 -0.284
91 HE2 TYR 11 HE1 TYR 11 -29.083 2.862 2.345
92 HH TYR 11 HH TYR 11 -28.738 2.160 -0.521
93 HA PRO 12 HA PRO 12 -35.182 0.932 3.315
94 1HB PRO 12 2HB PRO 12 -33.065 2.607 2.006
95 2HB PRO 12 1HB PRO 12 -34.687 3.067 2.535
96 1HG PRO 12 2HG PRO 12 -32.498 3.602 4.011
97 2HG PRO 12 1HG PRO 12 -34.071 3.235 4.741
98 1HD PRO 12 2HD PRO 12 -31.616 1.631 4.726
99 2HD PRO 12 1HD PRO 12 -33.064 1.454 5.733
100 H VAL 13 H VAL 13 -35.168 -1.225 2.273
101 HA VAL 13 HA VAL 13 -33.747 -1.823 -0.063
102 HB VAL 13 HB VAL 13 -35.196 -3.365 1.421
103 1HG1 VAL 13 2HG1 VAL 13 -37.251 -1.852 0.780
104 2HG1 VAL 13 1HG1 VAL 13 -37.330 -2.932 -0.612
105 3HG1 VAL 13 3HG1 VAL 13 -37.441 -3.589 1.021
106 1HG2 VAL 13 3HG2 VAL 13 -34.870 -3.494 -1.545
107 2HG2 VAL 13 2HG2 VAL 13 -34.068 -4.430 -0.284
108 3HG2 VAL 13 1HG2 VAL 13 -35.747 -4.772 -0.702
109 H SER 14 H SER 14 -36.557 0.142 0.461
110 HA SER 14 HA SER 14 -37.641 0.122 -2.126
111 1HB SER 14 2HB SER 14 -39.083 1.716 -1.353
112 2HB SER 14 1HB SER 14 -38.434 1.199 0.205
113 HG SER 14 HG SER 14 -38.158 3.339 0.259
114 H LYS 15 H LYS 15 -35.244 2.290 -0.640
115 HA LYS 15 HA LYS 15 -34.960 3.954 -2.902
116 1HB LYS 15 2HB LYS 15 -33.840 3.779 -0.280
117 2HB LYS 15 1HB LYS 15 -32.508 3.913 -1.418
118 1HG LYS 15 2HG LYS 15 -32.973 6.113 -0.897
119 2HG LYS 15 1HG LYS 15 -33.840 5.879 -2.416
120 1HD LYS 15 2HD LYS 15 -35.535 6.838 -1.242
121 2HD LYS 15 1HD LYS 15 -35.782 5.178 -0.699
122 1HE LYS 15 2HE LYS 15 -34.339 7.397 0.739
123 2HE LYS 15 1HE LYS 15 -35.824 6.581 1.229
124 1HZ LYS 15 2HZ LYS 15 -33.228 5.178 0.956
125 2HZ LYS 15 1HZ LYS 15 -33.754 5.863 2.410
126 3HZ LYS 15 3HZ LYS 15 -34.638 4.611 1.695
127 H CYS 16 H CYS 16 -34.846 2.478 -4.651
128 HA CYS 16 HA CYS 16 -32.233 1.964 -5.552
129 1HB CYS 16 2HB CYS 16 -33.270 -0.075 -3.886
130 2HB CYS 16 1HB CYS 16 -33.301 -0.712 -5.526
131 H GLN 17 H GLN 17 -32.881 2.953 -7.403
132 HA GLN 17 HA GLN 17 -34.867 1.521 -9.052
133 1HB GLN 17 2HB GLN 17 -34.450 4.428 -8.556
134 2HB GLN 17 1HB GLN 17 -34.897 3.950 -10.188
135 1HG GLN 17 2HG GLN 17 -36.470 2.944 -7.861
136 2HG GLN 17 1HG GLN 17 -36.734 4.576 -8.472
137 1HE2 GLN 17 2HE2 GLN 17 -37.222 2.037 -11.542
138 2HE2 GLN 17 1HE2 GLN 17 -35.693 2.338 -10.796
139 H LEU 18 H LEU 18 -31.809 3.187 -8.882
140 HA LEU 18 HA LEU 18 -30.701 1.681 -11.031
141 1HB LEU 18 2HB LEU 18 -31.700 4.413 -11.513
142 2HB LEU 18 1HB LEU 18 -30.056 4.140 -12.057
143 HG LEU 18 HG LEU 18 -32.483 2.573 -12.900
144 1HD1 LEU 18 3HD1 LEU 18 -32.322 4.871 -13.805
145 2HD1 LEU 18 2HD1 LEU 18 -30.750 4.454 -14.487
146 3HD1 LEU 18 1HD1 LEU 18 -32.201 3.619 -15.042
147 1HD2 LEU 18 1HD2 LEU 18 -29.577 2.113 -13.237
148 2HD2 LEU 18 3HD2 LEU 18 -30.910 0.960 -13.177
149 3HD2 LEU 18 2HD2 LEU 18 -30.591 1.860 -14.658
150 H ALA 19 H ALA 19 -28.460 2.961 -11.619
151 HA ALA 19 HA ALA 19 -26.807 2.649 -9.417
152 1HB ALA 19 2HB ALA 19 -26.360 4.307 -11.893
153 2HB ALA 19 1HB ALA 19 -25.105 3.859 -10.738
154 3HB ALA 19 3HB ALA 19 -25.937 2.610 -11.665
155 H ASN 20 H ASN 20 -25.250 4.504 -8.756
156 HA ASN 20 HA ASN 20 -24.909 6.663 -7.993
157 1HB ASN 20 2HB ASN 20 -26.986 7.338 -9.386
158 2HB ASN 20 1HB ASN 20 -27.860 7.195 -7.866
159 1HD2 ASN 20 2HD2 ASN 20 -25.928 9.862 -6.339
160 2HD2 ASN 20 1HD2 ASN 20 -26.370 8.225 -6.006
161 H GLN 21 H GLN 21 -28.092 6.155 -6.528
162 HA GLN 21 HA GLN 21 -27.292 6.585 -3.934
163 1HB GLN 21 2HB GLN 21 -29.654 6.393 -4.832
164 2HB GLN 21 1HB GLN 21 -29.479 4.651 -4.680
165 1HG GLN 21 2HG GLN 21 -30.646 5.584 -2.771
166 2HG GLN 21 1HG GLN 21 -29.104 4.880 -2.289
167 1HE2 GLN 21 2HE2 GLN 21 -28.578 7.784 -0.459
168 2HE2 GLN 21 1HE2 GLN 21 -28.862 6.079 -0.451
169 H CYS 22 H CYS 22 -28.140 3.319 -5.089
170 HA CYS 22 HA CYS 22 -27.008 1.929 -2.981
171 1HB CYS 22 2HB CYS 22 -28.514 1.090 -4.899
172 2HB CYS 22 1HB CYS 22 -27.015 0.837 -5.785
173 H ASN 23 H ASN 23 -25.527 2.831 -6.075
174 HA ASN 23 HA ASN 23 -23.091 1.532 -5.779
175 1HB ASN 23 2HB ASN 23 -24.025 2.828 -7.800
176 2HB ASN 23 1HB ASN 23 -23.330 4.258 -7.041
177 1HD2 ASN 23 2HD2 ASN 23 -20.015 3.464 -7.795
178 2HD2 ASN 23 1HD2 ASN 23 -21.084 4.418 -6.829
179 H TYR 24 H TYR 24 -23.579 5.029 -5.218
180 HA TYR 24 HA TYR 24 -21.189 5.538 -3.946
181 1HB TYR 24 2HB TYR 24 -22.146 7.566 -4.199
182 2HB TYR 24 1HB TYR 24 -23.761 6.881 -4.208
183 HD1 TYR 24 HD1 TYR 24 -21.109 7.134 -1.589
184 HD2 TYR 24 HD2 TYR 24 -25.112 8.009 -2.731
185 HE1 TYR 24 HE1 TYR 24 -21.525 8.096 0.631
186 HE2 TYR 24 HE2 TYR 24 -25.540 8.976 -0.515
187 HH TYR 24 HH TYR 24 -23.357 8.606 2.108
188 H ASP 25 H ASP 25 -24.262 4.549 -2.440
189 HA ASP 25 HA ASP 25 -23.464 4.621 0.220
190 1HB ASP 25 2HB ASP 25 -25.424 2.887 -1.268
191 2HB ASP 25 1HB ASP 25 -25.130 2.637 0.452
192 H CYS 26 H CYS 26 -23.197 1.885 -2.074
193 HA CYS 26 HA CYS 26 -21.887 0.172 -0.287
194 1HB CYS 26 2HB CYS 26 -21.677 0.356 -3.302
195 2HB CYS 26 1HB CYS 26 -20.966 -0.940 -2.348
196 H LYS 27 H LYS 27 -20.701 2.684 -2.454
197 HA LYS 27 HA LYS 27 -17.945 2.316 -2.097
198 1HB LYS 27 2HB LYS 27 -19.359 3.979 -3.622
199 2HB LYS 27 1HB LYS 27 -19.059 5.084 -2.289
200 1HG LYS 27 2HG LYS 27 -17.283 5.548 -3.651
201 2HG LYS 27 1HG LYS 27 -16.579 4.320 -2.600
202 1HD LYS 27 2HD LYS 27 -16.902 2.624 -4.264
203 2HD LYS 27 1HD LYS 27 -17.816 3.734 -5.286
204 1HE LYS 27 2HE LYS 27 -15.287 3.251 -5.769
205 2HE LYS 27 1HE LYS 27 -15.945 4.878 -5.957
206 1HZ LYS 27 3HZ LYS 27 -14.686 3.975 -3.438
207 2HZ LYS 27 2HZ LYS 27 -13.784 4.660 -4.694
208 3HZ LYS 27 1HZ LYS 27 -15.004 5.559 -3.941
209 H LEU 28 H LEU 28 -20.209 2.758 0.158
210 HA LEU 28 HA LEU 28 -18.364 3.384 2.250
211 1HB LEU 28 2HB LEU 28 -19.265 5.623 1.137
212 2HB LEU 28 1HB LEU 28 -20.688 5.274 2.100
213 HG LEU 28 HG LEU 28 -19.200 5.203 4.125
214 1HD1 LEU 28 1HD1 LEU 28 -17.192 5.953 2.050
215 2HD1 LEU 28 3HD1 LEU 28 -17.031 6.586 3.688
216 3HD1 LEU 28 2HD1 LEU 28 -17.043 4.845 3.413
217 1HD2 LEU 28 1HD2 LEU 28 -19.325 7.765 2.540
218 2HD2 LEU 28 3HD2 LEU 28 -20.549 7.151 3.652
219 3HD2 LEU 28 2HD2 LEU 28 -18.974 7.656 4.265
220 H ASP 29 H ASP 29 -20.892 4.399 3.744
221 HA ASP 29 HA ASP 29 -22.482 3.484 5.111
222 1HB ASP 29 2HB ASP 29 -22.746 1.898 2.626
223 2HB ASP 29 1HB ASP 29 -23.301 1.069 4.074
224 H LYS 30 H LYS 30 -20.396 1.149 3.607
225 HA LYS 30 HA LYS 30 -19.445 0.196 6.205
226 1HB LYS 30 2HB LYS 30 -20.262 -1.367 3.762
227 2HB LYS 30 1HB LYS 30 -18.960 -1.972 4.775
228 1HG LYS 30 2HG LYS 30 -20.616 -3.034 5.869
229 2HG LYS 30 1HG LYS 30 -20.864 -1.477 6.647
230 1HD LYS 30 2HD LYS 30 -23.000 -2.109 5.935
231 2HD LYS 30 1HD LYS 30 -22.457 -0.953 4.720
232 1HE LYS 30 2HE LYS 30 -21.905 -3.837 4.232
233 2HE LYS 30 1HE LYS 30 -23.567 -3.279 4.067
234 1HZ LYS 30 3HZ LYS 30 -21.757 -1.513 2.767
235 2HZ LYS 30 2HZ LYS 30 -21.577 -3.092 2.187
236 3HZ LYS 30 1HZ LYS 30 -23.091 -2.339 2.134
237 H HIS 31 H HIS 31 -18.470 -0.675 2.943
238 HA HIS 31 HA HIS 31 -16.602 1.204 2.329
239 1HB HIS 31 2HB HIS 31 -14.493 -0.232 3.144
240 2HB HIS 31 1HB HIS 31 -15.217 1.024 4.139
241 HD1 HIS 31 HD1 HIS 31 -15.307 -2.744 3.730
242 HD2 HIS 31 HD2 HIS 31 -16.161 0.192 6.534
243 HE1 HIS 31 HE1 HIS 31 -15.858 -3.980 5.849
244 HE2 HIS 31 HE2 HIS 31 -16.419 -2.187 7.523
245 H ALA 32 H ALA 32 -18.119 -0.247 0.731
246 HA ALA 32 HA ALA 32 -16.610 -2.495 -0.339
247 1HB ALA 32 1HB ALA 32 -19.348 -1.416 -0.712
248 2HB ALA 32 3HB ALA 32 -18.637 -2.297 -2.063
249 3HB ALA 32 2HB ALA 32 -18.807 -3.078 -0.491
250 H ARG 33 H ARG 33 -16.720 -2.479 -2.934
251 HA ARG 33 HA ARG 33 -15.155 -0.142 -3.724
252 1HB ARG 33 2HB ARG 33 -14.439 -2.587 -4.066
253 2HB ARG 33 1HB ARG 33 -15.626 -2.622 -5.360
254 1HG ARG 33 2HG ARG 33 -13.970 -1.921 -6.692
255 2HG ARG 33 1HG ARG 33 -14.191 -0.347 -5.925
256 1HD ARG 33 2HD ARG 33 -12.263 -2.497 -5.059
257 2HD ARG 33 1HD ARG 33 -11.845 -1.010 -5.908
258 HE ARG 33 HE ARG 33 -12.825 0.117 -3.840
259 1HH1 ARG 33 1HH2 ARG 33 -11.209 -2.976 -3.777
260 2HH1 ARG 33 2HH2 ARG 33 -10.685 -2.808 -2.136
261 1HH2 ARG 33 2HH1 ARG 33 -12.136 0.337 -1.681
262 2HH2 ARG 33 1HH1 ARG 33 -11.212 -0.930 -0.946
263 H SER 34 H SER 34 -18.103 -1.851 -4.459
264 HA SER 34 HA SER 34 -19.278 0.419 -5.707
265 1HB SER 34 2HB SER 34 -19.716 -0.786 -7.911
266 2HB SER 34 1HB SER 34 -18.070 -0.199 -7.669
267 HG SER 34 HG SER 34 -18.860 -2.839 -7.027
268 H GLY 35 H GLY 35 -21.300 -0.944 -7.162
269 1HA GLY 35 2HA GLY 35 -22.387 -3.143 -5.818
270 2HA GLY 35 1HA GLY 35 -22.996 -1.695 -5.037
271 H GLU 36 H GLU 36 -25.028 -2.745 -5.763
272 HA GLU 36 HA GLU 36 -26.180 -1.320 -7.876
273 1HB GLU 36 2HB GLU 36 -24.764 -3.605 -8.752
274 2HB GLU 36 1HB GLU 36 -26.464 -4.037 -8.845
275 1HG GLU 36 2HG GLU 36 -25.356 -1.511 -10.034
276 2HG GLU 36 1HG GLU 36 -25.438 -3.035 -10.916
277 H CYS 37 H CYS 37 -28.203 -3.258 -8.578
278 HA CYS 37 HA CYS 37 -29.283 -4.169 -6.050
279 1HB CYS 37 2HB CYS 37 -30.026 -1.647 -7.081
280 2HB CYS 37 1HB CYS 37 -31.406 -2.711 -7.331
281 H PHE 38 H PHE 38 -30.830 -5.764 -6.213
282 HA PHE 38 HA PHE 38 -31.763 -6.535 -8.878
283 1HB PHE 38 2HB PHE 38 -30.039 -8.241 -7.093
284 2HB PHE 38 1HB PHE 38 -31.108 -8.951 -8.298
285 HD1 PHE 38 HD1 PHE 38 -28.221 -6.699 -7.831
286 HD2 PHE 38 HD2 PHE 38 -30.513 -9.008 -10.572
287 HE1 PHE 38 HE1 PHE 38 -26.489 -6.373 -9.547
288 HE2 PHE 38 HE2 PHE 38 -28.785 -8.686 -12.294
289 HZ PHE 38 HZ PHE 38 -26.770 -7.368 -11.781
290 H TYR 39 H TYR 39 -33.458 -8.183 -8.816
291 HA TYR 39 HA TYR 39 -35.205 -7.755 -6.549
292 1HB TYR 39 2HB TYR 39 -35.502 -8.684 -9.329
293 2HB TYR 39 1HB TYR 39 -36.578 -9.469 -8.177
294 HD1 TYR 39 HD1 TYR 39 -35.416 -6.054 -9.157
295 HD2 TYR 39 HD2 TYR 39 -38.594 -8.463 -7.681
296 HE1 TYR 39 HE1 TYR 39 -36.920 -4.108 -9.231
297 HE2 TYR 39 HE2 TYR 39 -40.107 -6.529 -7.755
298 HH TYR 39 HH TYR 39 -38.945 -3.325 -8.746
299 H ASP 40 H ASP 40 -36.546 -9.790 -5.877
300 HA ASP 40 HA ASP 40 -34.999 -12.235 -5.761
301 1HB ASP 40 2HB ASP 40 -35.021 -12.298 -3.269
302 2HB ASP 40 1HB ASP 40 -33.986 -11.035 -3.928
303 H GLU 41 H GLU 41 -36.259 -13.604 -3.820
304 HA GLU 41 HA GLU 41 -38.702 -14.287 -5.011
305 1HB GLU 41 2HB GLU 41 -37.025 -15.352 -3.017
306 2HB GLU 41 1HB GLU 41 -38.584 -15.137 -2.236
307 1HG GLU 41 2HG GLU 41 -38.184 -16.594 -4.838
308 2HG GLU 41 1HG GLU 41 -38.236 -17.371 -3.257
309 H LYS 42 H LYS 42 -37.923 -11.737 -2.956
310 HA LYS 42 HA LYS 42 -40.619 -11.500 -1.851
311 1HB LYS 42 2HB LYS 42 -38.609 -11.114 -0.419
312 2HB LYS 42 1HB LYS 42 -38.221 -9.714 -1.410
313 1HG LYS 42 2HG LYS 42 -39.697 -8.415 -0.332
314 2HG LYS 42 1HG LYS 42 -40.964 -9.637 -0.437
315 1HD LYS 42 2HD LYS 42 -38.714 -9.905 1.531
316 2HD LYS 42 1HD LYS 42 -40.133 -8.920 1.894
317 1HE LYS 42 2HE LYS 42 -40.445 -11.734 0.926
318 2HE LYS 42 1HE LYS 42 -40.087 -11.412 2.621
319 1HZ LYS 42 2HZ LYS 42 -42.073 -9.807 2.448
320 2HZ LYS 42 1HZ LYS 42 -42.486 -10.693 1.069
321 3HZ LYS 42 3HZ LYS 42 -42.380 -11.465 2.572
322 H ARG 43 H ARG 43 -39.971 -11.158 -4.719
323 HA ARG 43 HA ARG 43 -40.106 -9.577 -6.416
324 1HB ARG 43 2HB ARG 43 -42.624 -8.570 -6.027
325 2HB ARG 43 1HB ARG 43 -42.273 -10.154 -6.694
326 1HG ARG 43 2HG ARG 43 -42.679 -9.685 -3.755
327 2HG ARG 43 1HG ARG 43 -43.993 -10.074 -4.864
328 1HD ARG 43 2HD ARG 43 -41.727 -11.894 -5.140
329 2HD ARG 43 1HD ARG 43 -42.412 -11.904 -3.516
330 HE ARG 43 HE ARG 43 -44.266 -12.161 -5.747
331 1HH1 ARG 43 1HH2 ARG 43 -42.466 -13.674 -3.179
332 2HH1 ARG 43 2HH2 ARG 43 -43.416 -15.123 -3.189
333 1HH2 ARG 43 2HH1 ARG 43 -45.521 -14.067 -5.774
334 2HH2 ARG 43 1HH1 ARG 43 -45.151 -15.349 -4.672
335 H ASN 44 H ASN 44 -38.440 -8.323 -4.861
336 HA ASN 44 HA ASN 44 -39.390 -5.560 -4.890
337 1HB ASN 44 2HB ASN 44 -38.164 -6.934 -2.499
338 2HB ASN 44 1HB ASN 44 -38.159 -5.184 -2.684
339 1HD2 ASN 44 2HD2 ASN 44 -41.065 -5.922 -0.641
340 2HD2 ASN 44 1HD2 ASN 44 -39.343 -5.973 -0.517
341 H LEU 45 H LEU 45 -36.594 -5.479 -3.238
342 HA LEU 45 HA LEU 45 -34.791 -5.823 -5.489
343 1HB LEU 45 2HB LEU 45 -35.581 -3.190 -4.346
344 2HB LEU 45 1HB LEU 45 -33.913 -3.406 -4.838
345 HG LEU 45 HG LEU 45 -35.888 -4.243 -6.863
346 1HD1 LEU 45 3HD1 LEU 45 -35.726 -1.388 -5.940
347 2HD1 LEU 45 2HD1 LEU 45 -36.227 -1.835 -7.571
348 3HD1 LEU 45 1HD1 LEU 45 -37.162 -2.383 -6.179
349 1HD2 LEU 45 2HD2 LEU 45 -33.348 -4.030 -7.074
350 2HD2 LEU 45 1HD2 LEU 45 -34.339 -3.364 -8.373
351 3HD2 LEU 45 3HD2 LEU 45 -33.635 -2.291 -7.164
352 H GLN 46 H GLN 46 -32.504 -5.507 -4.849
353 HA GLN 46 HA GLN 46 -31.967 -5.569 -1.990
354 1HB GLN 46 2HB GLN 46 -31.515 -7.894 -3.834
355 2HB GLN 46 1HB GLN 46 -30.480 -7.654 -2.433
356 1HG GLN 46 2HG GLN 46 -32.380 -7.800 -0.954
357 2HG GLN 46 1HG GLN 46 -33.476 -7.919 -2.329
358 1HE2 GLN 46 2HE2 GLN 46 -31.833 -11.190 -3.145
359 2HE2 GLN 46 1HE2 GLN 46 -31.801 -9.629 -3.884
360 H CYS 47 H CYS 47 -30.423 -4.132 -1.736
361 HA CYS 47 HA CYS 47 -28.738 -3.218 -3.821
362 1HB CYS 47 2HB CYS 47 -29.364 -2.494 -1.102
363 2HB CYS 47 1HB CYS 47 -27.626 -2.420 -1.341
364 H ILE 48 H ILE 48 -27.298 -4.608 -4.688
365 HA ILE 48 HA ILE 48 -25.721 -6.365 -2.984
366 HB ILE 48 HB ILE 48 -25.764 -6.049 -5.984
367 1HG1 ILE 48 2HG1 ILE 48 -27.762 -7.093 -4.734
368 2HG1 ILE 48 1HG1 ILE 48 -27.062 -8.000 -6.071
369 1HG2 ILE 48 2HG2 ILE 48 -24.069 -7.701 -4.171
370 2HG2 ILE 48 1HG2 ILE 48 -24.528 -8.341 -5.749
371 3HG2 ILE 48 3HG2 ILE 48 -23.629 -6.828 -5.639
372 1HD1 ILE 48 1HD1 ILE 48 -25.903 -8.595 -3.448
373 2HD1 ILE 48 3HD1 ILE 48 -27.604 -9.025 -3.632
374 3HD1 ILE 48 2HD1 ILE 48 -26.403 -9.676 -4.749
375 H CYS 49 H CYS 49 -23.908 -5.610 -2.065
376 HA CYS 49 HA CYS 49 -22.465 -3.417 -3.379
377 1HB CYS 49 2HB CYS 49 -22.397 -4.518 -0.574
378 2HB CYS 49 1HB CYS 49 -21.192 -3.381 -1.163
379 H ASP 50 H ASP 50 -20.780 -3.850 -4.585
380 HA ASP 50 HA ASP 50 -19.404 -6.418 -4.314
381 1HB ASP 50 2HB ASP 50 -18.710 -4.546 -6.514
382 2HB ASP 50 1HB ASP 50 -18.920 -6.295 -6.543
383 H TYR 51 H TYR 51 -17.427 -6.621 -3.544
384 HA TYR 51 HA TYR 51 -16.012 -4.213 -2.682
385 1HB TYR 51 2HB TYR 51 -15.780 -7.132 -2.002
386 2HB TYR 51 1HB TYR 51 -14.566 -5.967 -1.492
387 HD1 TYR 51 HD1 TYR 51 -18.317 -5.885 -1.551
388 HD2 TYR 51 HD2 TYR 51 -14.762 -5.579 0.767
389 HE1 TYR 51 HE1 TYR 51 -19.666 -5.375 0.431
390 HE2 TYR 51 HE2 TYR 51 -16.105 -5.062 2.761
391 HH TYR 51 HH TYR 51 -18.424 -4.068 3.215
392 H CYS 52 H CYS 52 -15.846 -6.709 -5.051
393 HA CYS 52 HA CYS 52 -13.032 -6.151 -5.638
394 1HB CYS 52 2HB CYS 52 -14.948 -8.315 -6.436
395 2HB CYS 52 1HB CYS 52 -13.512 -8.013 -7.409
396 H GLU 53 H GLU 53 -15.692 -6.885 -7.860
397 HA GLU 53 HA GLU 53 -16.367 -5.914 -9.802
398 1HB GLU 53 2HB GLU 53 -17.094 -4.088 -8.397
399 2HB GLU 53 1HB GLU 53 -15.467 -3.425 -8.343
400 1HG GLU 53 2HG GLU 53 -15.555 -2.828 -10.649
401 2HG GLU 53 1HG GLU 53 -17.076 -3.690 -10.868
402 H TYR 54 HN TYR 54 -13.686 -3.698 -9.104
403 HA TYR 54 HA TYR 54 -12.633 -4.018 -11.750
404 1HB TYR 54 2HB TYR 54 -11.818 -2.451 -9.323
405 2HB TYR 54 1HB TYR 54 -10.722 -2.592 -10.693
406 HD1 TYR 54 HD1 TYR 54 -11.273 -1.554 -12.837
407 HD2 TYR 54 HD2 TYR 54 -13.845 -1.143 -9.474
408 HE1 TYR 54 HE1 TYR 54 -12.440 0.292 -13.964
409 HE2 TYR 54 HE2 TYR 54 -15.020 0.705 -10.592
410 HH TYR 54 HH TYR 54 -15.192 1.936 -12.429
No H/Q in entry = 410
Start of MODEL 27
1 HN PCA 1 HN PCA 1 -10.014 -13.732 -1.345
2 HA PCA 1 HA PCA 1 -9.752 -14.937 0.880
3 1HB PCA 1 1HB PCA 1 -9.759 -13.588 2.694
4 2HB PCA 1 2HB PCA 1 -11.480 -13.226 2.427
5 1HG PCA 1 1HG PCA 1 -9.196 -11.542 1.883
6 2HG PCA 1 2HG PCA 1 -10.907 -11.182 1.583
7 H ASP 2 H ASP 2 -12.551 -13.120 -0.298
8 HA ASP 2 HA ASP 2 -14.150 -15.594 -0.149
9 1HB ASP 2 2HB ASP 2 -16.067 -14.407 0.613
10 2HB ASP 2 1HB ASP 2 -14.736 -13.908 1.652
11 H LYS 3 H LYS 3 -16.435 -14.764 -1.362
12 HA LYS 3 HA LYS 3 -15.878 -14.931 -4.061
13 1HB LYS 3 2HB LYS 3 -18.274 -13.962 -2.541
14 2HB LYS 3 1HB LYS 3 -18.242 -13.856 -4.296
15 1HG LYS 3 2HG LYS 3 -17.717 -16.330 -4.307
16 2HG LYS 3 1HG LYS 3 -18.114 -16.322 -2.587
17 1HD LYS 3 2HD LYS 3 -20.350 -15.653 -3.018
18 2HD LYS 3 1HD LYS 3 -19.988 -15.291 -4.706
19 1HE LYS 3 2HE LYS 3 -21.218 -17.482 -4.170
20 2HE LYS 3 1HE LYS 3 -19.857 -17.543 -5.289
21 1HZ LYS 3 3HZ LYS 3 -18.894 -17.902 -2.681
22 2HZ LYS 3 2HZ LYS 3 -20.194 -18.960 -2.906
23 3HZ LYS 3 1HZ LYS 3 -18.877 -19.001 -3.967
24 H CYS 4 H CYS 4 -17.828 -12.189 -3.690
25 HA CYS 4 HA CYS 4 -15.859 -10.183 -3.785
26 1HB CYS 4 2HB CYS 4 -16.525 -11.509 -6.312
27 2HB CYS 4 1HB CYS 4 -16.629 -9.753 -6.385
28 H LYS 5 H LYS 5 -18.999 -11.157 -3.508
29 HA LYS 5 HA LYS 5 -19.924 -8.390 -3.436
30 1HB LYS 5 2HB LYS 5 -22.094 -10.009 -4.421
31 2HB LYS 5 1HB LYS 5 -21.363 -8.586 -5.151
32 1HG LYS 5 2HG LYS 5 -21.165 -10.244 -6.766
33 2HG LYS 5 1HG LYS 5 -19.567 -10.164 -6.029
34 1HD LYS 5 2HD LYS 5 -19.732 -12.390 -5.750
35 2HD LYS 5 1HD LYS 5 -20.894 -12.035 -4.469
36 1HE LYS 5 2HE LYS 5 -21.694 -13.690 -6.154
37 2HE LYS 5 1HE LYS 5 -22.731 -12.274 -5.988
38 1HZ LYS 5 3HZ LYS 5 -20.642 -12.186 -8.030
39 2HZ LYS 5 2HZ LYS 5 -21.977 -13.182 -8.330
40 3HZ LYS 5 1HZ LYS 5 -22.202 -11.528 -8.051
41 H LYS 6 H LYS 6 -21.605 -8.008 -1.976
42 HA LYS 6 HA LYS 6 -22.617 -10.207 -0.369
43 1HB LYS 6 2HB LYS 6 -20.642 -9.825 0.844
44 2HB LYS 6 1HB LYS 6 -20.733 -8.088 0.624
45 1HG LYS 6 2HG LYS 6 -22.733 -8.091 2.142
46 2HG LYS 6 1HG LYS 6 -22.394 -9.793 2.463
47 1HD LYS 6 2HD LYS 6 -20.302 -7.670 2.813
48 2HD LYS 6 1HD LYS 6 -21.461 -8.041 4.090
49 1HE LYS 6 2HE LYS 6 -20.722 -10.397 4.031
50 2HE LYS 6 1HE LYS 6 -19.517 -9.965 2.818
51 1HZ LYS 6 3HZ LYS 6 -18.508 -8.457 4.420
52 2HZ LYS 6 2HZ LYS 6 -19.650 -8.899 5.587
53 3HZ LYS 6 1HZ LYS 6 -18.541 -10.040 5.015
54 H VAL 7 H VAL 7 -24.714 -9.840 0.072
55 HA VAL 7 HA VAL 7 -25.980 -7.427 -0.669
56 HB VAL 7 HB VAL 7 -27.945 -8.505 -0.360
57 1HG1 VAL 7 2HG1 VAL 7 -26.404 -10.116 -1.477
58 2HG1 VAL 7 1HG1 VAL 7 -26.180 -10.902 0.086
59 3HG1 VAL 7 3HG1 VAL 7 -27.777 -10.866 -0.661
60 1HG2 VAL 7 1HG2 VAL 7 -26.824 -9.528 2.237
61 2HG2 VAL 7 3HG2 VAL 7 -28.137 -8.378 1.985
62 3HG2 VAL 7 2HG2 VAL 7 -28.368 -10.080 1.588
63 H TYR 8 H TYR 8 -27.033 -5.859 0.606
64 HA TYR 8 HA TYR 8 -25.742 -5.429 3.205
65 1HB TYR 8 2HB TYR 8 -25.601 -3.659 1.424
66 2HB TYR 8 1HB TYR 8 -27.345 -3.460 1.574
67 HD1 TYR 8 HD2 TYR 8 -28.295 -2.696 3.763
68 HD2 TYR 8 HD1 TYR 8 -24.135 -2.619 2.935
69 HE1 TYR 8 HE2 TYR 8 -27.959 -1.115 5.627
70 HE2 TYR 8 HE1 TYR 8 -23.784 -1.044 4.792
71 HH TYR 8 HH TYR 8 -25.038 0.581 6.087
72 H GLU 9 H GLU 9 -28.600 -6.474 1.886
73 HA GLU 9 HA GLU 9 -30.803 -6.537 2.594
74 1HB GLU 9 2HB GLU 9 -30.999 -7.790 4.682
75 2HB GLU 9 1HB GLU 9 -29.702 -8.435 3.688
76 1HG GLU 9 2HG GLU 9 -29.101 -6.433 5.819
77 2HG GLU 9 1HG GLU 9 -29.346 -8.127 6.231
78 H ASN 10 H ASN 10 -31.770 -6.290 5.284
79 HA ASN 10 HA ASN 10 -33.063 -4.303 5.880
80 1HB ASN 10 2HB ASN 10 -32.008 -5.603 7.719
81 2HB ASN 10 1HB ASN 10 -30.610 -4.537 7.630
82 1HD2 ASN 10 2HD2 ASN 10 -33.469 -3.555 10.066
83 2HD2 ASN 10 1HD2 ASN 10 -33.024 -5.137 9.530
84 H TYR 11 H TYR 11 -33.146 -2.504 4.681
85 HA TYR 11 HA TYR 11 -31.631 -0.256 5.354
86 1HB TYR 11 2HB TYR 11 -29.720 -0.828 4.252
87 2HB TYR 11 1HB TYR 11 -30.549 -1.929 3.167
88 HD1 TYR 11 HD2 TYR 11 -31.614 -1.055 1.099
89 HD2 TYR 11 HD1 TYR 11 -29.294 1.443 3.645
90 HE1 TYR 11 HE2 TYR 11 -31.416 0.599 -0.711
91 HE2 TYR 11 HE1 TYR 11 -29.079 3.097 1.840
92 HH TYR 11 HH TYR 11 -29.288 3.339 -0.471
93 HA PRO 12 HA PRO 12 -35.188 1.780 3.651
94 1HB PRO 12 2HB PRO 12 -33.123 3.555 2.396
95 2HB PRO 12 1HB PRO 12 -34.611 3.991 3.246
96 1HG PRO 12 2HG PRO 12 -32.217 4.141 4.441
97 2HG PRO 12 1HG PRO 12 -33.678 3.672 5.326
98 1HD PRO 12 2HD PRO 12 -31.366 2.027 4.514
99 2HD PRO 12 1HD PRO 12 -32.557 1.750 5.801
100 H VAL 13 H VAL 13 -35.715 0.053 2.198
101 HA VAL 13 HA VAL 13 -34.508 -0.509 -0.227
102 HB VAL 13 HB VAL 13 -37.474 -0.634 0.355
103 1HG1 VAL 13 1HG1 VAL 13 -35.746 -1.843 -1.776
104 2HG1 VAL 13 3HG1 VAL 13 -37.284 -2.569 -1.310
105 3HG1 VAL 13 2HG1 VAL 13 -37.242 -0.927 -1.954
106 1HG2 VAL 13 2HG2 VAL 13 -35.719 -1.841 1.891
107 2HG2 VAL 13 1HG2 VAL 13 -37.186 -2.672 1.369
108 3HG2 VAL 13 3HG2 VAL 13 -35.655 -2.987 0.551
109 H SER 14 H SER 14 -37.716 0.856 -0.474
110 HA SER 14 HA SER 14 -38.339 2.059 -2.462
111 1HB SER 14 2HB SER 14 -38.750 4.251 -1.598
112 2HB SER 14 1HB SER 14 -38.861 3.126 -0.244
113 HG SER 14 HG SER 14 -36.994 3.869 0.552
114 H LYS 15 H LYS 15 -35.603 3.909 -1.132
115 HA LYS 15 HA LYS 15 -34.905 5.110 -3.562
116 1HB LYS 15 2HB LYS 15 -33.866 4.993 -0.854
117 2HB LYS 15 1HB LYS 15 -32.556 5.017 -2.024
118 1HG LYS 15 2HG LYS 15 -32.998 7.258 -1.430
119 2HG LYS 15 1HG LYS 15 -33.644 7.027 -3.056
120 1HD LYS 15 2HD LYS 15 -35.390 8.136 -2.059
121 2HD LYS 15 1HD LYS 15 -35.854 6.461 -1.755
122 1HE LYS 15 2HE LYS 15 -34.497 6.776 0.448
123 2HE LYS 15 1HE LYS 15 -34.736 8.494 0.131
124 1HZ LYS 15 2HZ LYS 15 -37.148 8.037 0.010
125 2HZ LYS 15 1HZ LYS 15 -36.851 6.440 0.479
126 3HZ LYS 15 3HZ LYS 15 -36.488 7.712 1.532
127 H CYS 16 H CYS 16 -34.810 3.567 -5.176
128 HA CYS 16 HA CYS 16 -32.282 2.498 -5.736
129 1HB CYS 16 2HB CYS 16 -33.859 0.822 -4.065
130 2HB CYS 16 1HB CYS 16 -33.800 0.061 -5.652
131 H GLN 17 H GLN 17 -32.207 2.769 -7.830
132 HA GLN 17 HA GLN 17 -34.609 2.238 -9.449
133 1HB GLN 17 2HB GLN 17 -32.477 4.332 -9.612
134 2HB GLN 17 1HB GLN 17 -33.236 3.784 -11.101
135 1HG GLN 17 2HG GLN 17 -34.214 5.839 -10.017
136 2HG GLN 17 1HG GLN 17 -35.347 4.556 -10.438
137 1HE2 GLN 17 2HE2 GLN 17 -36.462 4.052 -7.205
138 2HE2 GLN 17 1HE2 GLN 17 -36.543 3.633 -8.878
139 H LEU 18 H LEU 18 -31.063 2.282 -9.598
140 HA LEU 18 HA LEU 18 -30.822 -0.347 -10.499
141 1HB LEU 18 2HB LEU 18 -31.390 1.612 -12.539
142 2HB LEU 18 1HB LEU 18 -29.825 0.872 -12.830
143 HG LEU 18 HG LEU 18 -32.288 -0.729 -12.279
144 1HD1 LEU 18 2HD1 LEU 18 -31.296 0.451 -14.836
145 2HD1 LEU 18 1HD1 LEU 18 -32.109 -1.114 -14.851
146 3HD1 LEU 18 3HD1 LEU 18 -32.947 0.310 -14.234
147 1HD2 LEU 18 1HD2 LEU 18 -29.777 -1.553 -12.128
148 2HD2 LEU 18 3HD2 LEU 18 -31.050 -2.574 -12.805
149 3HD2 LEU 18 2HD2 LEU 18 -29.974 -1.682 -13.879
150 H ALA 19 H ALA 19 -29.493 2.751 -9.846
151 HA ALA 19 HA ALA 19 -27.105 1.718 -8.844
152 1HB ALA 19 3HB ALA 19 -27.014 2.588 -11.696
153 2HB ALA 19 2HB ALA 19 -25.601 2.786 -10.663
154 3HB ALA 19 1HB ALA 19 -26.277 1.179 -10.932
155 H ASN 20 H ASN 20 -27.131 3.171 -7.205
156 HA ASN 20 HA ASN 20 -26.186 5.782 -7.614
157 1HB ASN 20 2HB ASN 20 -28.461 6.176 -8.470
158 2HB ASN 20 1HB ASN 20 -29.128 5.626 -6.938
159 1HD2 ASN 20 2HD2 ASN 20 -26.956 8.708 -5.829
160 2HD2 ASN 20 1HD2 ASN 20 -26.378 7.105 -6.111
161 H GLN 21 H GLN 21 -28.707 5.471 -5.264
162 HA GLN 21 HA GLN 21 -27.159 6.080 -3.079
163 1HB GLN 21 2HB GLN 21 -29.683 4.422 -3.167
164 2HB GLN 21 1HB GLN 21 -28.988 5.106 -1.702
165 1HG GLN 21 2HG GLN 21 -30.020 6.650 -4.071
166 2HG GLN 21 1HG GLN 21 -30.816 6.473 -2.508
167 1HE2 GLN 21 2HE2 GLN 21 -28.235 8.481 -0.870
168 2HE2 GLN 21 1HE2 GLN 21 -28.922 6.905 -0.704
169 H CYS 22 H CYS 22 -28.185 2.845 -4.123
170 HA CYS 22 HA CYS 22 -26.878 1.372 -2.155
171 1HB CYS 22 2HB CYS 22 -28.573 0.663 -4.014
172 2HB CYS 22 1HB CYS 22 -27.124 0.345 -4.963
173 H ASN 23 H ASN 23 -25.774 1.930 -5.502
174 HA ASN 23 HA ASN 23 -23.285 0.776 -5.333
175 1HB ASN 23 2HB ASN 23 -24.425 1.805 -7.373
176 2HB ASN 23 1HB ASN 23 -23.788 3.353 -6.826
177 1HD2 ASN 23 1HD2 ASN 23 -21.308 2.679 -5.939
178 2HD2 ASN 23 2HD2 ASN 23 -20.347 2.102 -7.254
179 H TYR 24 H TYR 24 -23.873 4.277 -5.008
180 HA TYR 24 HA TYR 24 -21.363 4.964 -4.060
181 1HB TYR 24 2HB TYR 24 -22.410 6.925 -4.449
182 2HB TYR 24 1HB TYR 24 -23.998 6.209 -4.210
183 HD1 TYR 24 HD1 TYR 24 -21.043 7.072 -2.090
184 HD2 TYR 24 HD2 TYR 24 -25.265 7.188 -2.579
185 HE1 TYR 24 HE1 TYR 24 -21.250 8.251 0.053
186 HE2 TYR 24 HE2 TYR 24 -25.486 8.365 -0.437
187 HH TYR 24 HH TYR 24 -22.959 9.840 1.123
188 H ASP 25 H ASP 25 -24.277 4.117 -2.189
189 HA ASP 25 HA ASP 25 -23.313 4.459 0.359
190 1HB ASP 25 2HB ASP 25 -25.242 2.449 -0.777
191 2HB ASP 25 1HB ASP 25 -24.835 2.437 0.935
192 H CYS 26 H CYS 26 -23.303 1.278 -1.303
193 HA CYS 26 HA CYS 26 -21.661 -0.037 0.493
194 1HB CYS 26 2HB CYS 26 -21.639 -0.383 -2.520
195 2HB CYS 26 1HB CYS 26 -21.074 -1.555 -1.340
196 H LYS 27 H LYS 27 -20.799 2.026 -2.237
197 HA LYS 27 HA LYS 27 -18.017 1.700 -2.133
198 1HB LYS 27 2HB LYS 27 -19.472 2.826 -3.933
199 2HB LYS 27 1HB LYS 27 -19.352 4.271 -2.940
200 1HG LYS 27 2HG LYS 27 -17.075 4.493 -3.309
201 2HG LYS 27 1HG LYS 27 -16.888 2.805 -3.788
202 1HD LYS 27 2HD LYS 27 -16.735 4.403 -5.686
203 2HD LYS 27 1HD LYS 27 -18.021 3.208 -5.868
204 1HE LYS 27 2HE LYS 27 -19.685 4.755 -5.581
205 2HE LYS 27 1HE LYS 27 -18.683 5.814 -4.590
206 1HZ LYS 27 3HZ LYS 27 -17.833 5.497 -7.347
207 2HZ LYS 27 2HZ LYS 27 -19.301 6.311 -7.133
208 3HZ LYS 27 1HZ LYS 27 -17.896 6.888 -6.386
209 H LEU 28 H LEU 28 -19.695 2.544 0.437
210 HA LEU 28 HA LEU 28 -17.503 3.945 1.647
211 1HB LEU 28 2HB LEU 28 -18.769 5.743 0.438
212 2HB LEU 28 1HB LEU 28 -20.138 5.399 1.480
213 HG LEU 28 HG LEU 28 -18.432 5.870 3.411
214 1HD1 LEU 28 2HD1 LEU 28 -16.581 6.031 1.611
215 2HD1 LEU 28 1HD1 LEU 28 -17.214 7.655 1.345
216 3HD1 LEU 28 3HD1 LEU 28 -16.599 7.198 2.934
217 1HD2 LEU 28 1HD2 LEU 28 -19.569 8.068 1.682
218 2HD2 LEU 28 3HD2 LEU 28 -20.425 7.202 2.958
219 3HD2 LEU 28 2HD2 LEU 28 -19.057 8.240 3.360
220 H ASP 29 H ASP 29 -20.732 2.623 1.841
221 HA ASP 29 HA ASP 29 -20.988 2.794 4.670
222 1HB ASP 29 2HB ASP 29 -22.498 1.612 2.442
223 2HB ASP 29 1HB ASP 29 -22.603 0.677 3.927
224 H LYS 30 H LYS 30 -20.433 -0.035 2.572
225 HA LYS 30 HA LYS 30 -19.226 -1.447 4.835
226 1HB LYS 30 2HB LYS 30 -20.911 -2.236 2.685
227 2HB LYS 30 1HB LYS 30 -19.376 -3.049 2.436
228 1HG LYS 30 2HG LYS 30 -20.410 -4.597 3.728
229 2HG LYS 30 1HG LYS 30 -19.684 -3.629 5.008
230 1HD LYS 30 2HD LYS 30 -21.898 -2.304 4.943
231 2HD LYS 30 1HD LYS 30 -22.523 -3.703 4.066
232 1HE LYS 30 2HE LYS 30 -21.897 -3.400 6.914
233 2HE LYS 30 1HE LYS 30 -22.992 -4.523 6.108
234 1HZ LYS 30 1HZ LYS 30 -20.412 -5.291 5.438
235 2HZ LYS 30 3HZ LYS 30 -20.400 -4.996 7.104
236 3HZ LYS 30 2HZ LYS 30 -21.500 -6.100 6.449
237 H HIS 31 H HIS 31 -18.001 0.735 3.078
238 HA HIS 31 HA HIS 31 -16.004 1.218 2.095
239 1HB HIS 31 2HB HIS 31 -14.710 -1.180 3.304
240 2HB HIS 31 1HB HIS 31 -14.157 0.491 3.254
241 HD1 HIS 31 HD1 HIS 31 -15.493 -1.954 5.507
242 HD2 HIS 31 HD2 HIS 31 -15.761 2.176 5.141
243 HE1 HIS 31 HE1 HIS 31 -16.255 -1.128 7.757
244 HE2 HIS 31 HE2 HIS 31 -16.358 1.379 7.527
245 H ALA 32 H ALA 32 -17.823 -0.492 0.672
246 HA ALA 32 HA ALA 32 -16.228 -2.499 -0.663
247 1HB ALA 32 2HB ALA 32 -19.038 -1.828 -0.432
248 2HB ALA 32 1HB ALA 32 -18.603 -2.187 -2.100
249 3HB ALA 32 3HB ALA 32 -18.292 -3.372 -0.828
250 H ARG 33 H ARG 33 -16.740 -2.429 -3.238
251 HA ARG 33 HA ARG 33 -15.428 0.028 -4.130
252 1HB ARG 33 2HB ARG 33 -15.293 -2.761 -4.868
253 2HB ARG 33 1HB ARG 33 -15.652 -1.790 -6.289
254 1HG ARG 33 2HG ARG 33 -13.264 -2.113 -6.030
255 2HG ARG 33 1HG ARG 33 -13.693 -0.410 -5.857
256 1HD ARG 33 2HD ARG 33 -12.532 -0.432 -3.937
257 2HD ARG 33 1HD ARG 33 -13.826 -1.422 -3.261
258 HE ARG 33 HE ARG 33 -12.416 -3.216 -3.311
259 1HH1 ARG 33 1HH2 ARG 33 -11.166 -0.734 -5.404
260 2HH1 ARG 33 2HH2 ARG 33 -9.667 -1.550 -5.696
261 1HH2 ARG 33 2HH1 ARG 33 -10.447 -4.307 -3.689
262 2HH2 ARG 33 1HH1 ARG 33 -9.260 -3.586 -4.724
263 H SER 34 H SER 34 -18.270 -1.966 -4.818
264 HA SER 34 HA SER 34 -19.668 0.367 -5.796
265 1HB SER 34 2HB SER 34 -20.145 -0.431 -7.989
266 2HB SER 34 1HB SER 34 -18.403 -0.606 -7.778
267 HG SER 34 HG SER 34 -19.929 -2.461 -8.578
268 H GLY 35 H GLY 35 -21.717 -1.165 -7.129
269 1HA GLY 35 2HA GLY 35 -22.761 -3.289 -5.697
270 2HA GLY 35 1HA GLY 35 -23.296 -1.841 -4.858
271 H GLU 36 H GLU 36 -25.356 -3.066 -5.593
272 HA GLU 36 HA GLU 36 -26.664 -1.482 -7.495
273 1HB GLU 36 2HB GLU 36 -27.115 -3.347 -9.179
274 2HB GLU 36 1HB GLU 36 -25.536 -2.580 -9.251
275 1HG GLU 36 2HG GLU 36 -24.715 -4.495 -7.793
276 2HG GLU 36 1HG GLU 36 -26.246 -5.286 -8.174
277 H CYS 37 H CYS 37 -28.920 -2.069 -7.740
278 HA CYS 37 HA CYS 37 -29.848 -3.570 -5.439
279 1HB CYS 37 2HB CYS 37 -30.811 -1.333 -6.873
280 2HB CYS 37 1HB CYS 37 -32.018 -2.599 -7.064
281 H PHE 38 H PHE 38 -31.491 -5.210 -5.579
282 HA PHE 38 HA PHE 38 -31.824 -6.506 -8.173
283 1HB PHE 38 2HB PHE 38 -30.095 -7.526 -6.024
284 2HB PHE 38 1HB PHE 38 -31.261 -8.707 -6.612
285 HD1 PHE 38 HD2 PHE 38 -28.359 -6.653 -7.479
286 HD2 PHE 38 HD1 PHE 38 -31.129 -9.582 -8.846
287 HE1 PHE 38 HE2 PHE 38 -26.908 -7.120 -9.411
288 HE2 PHE 38 HE1 PHE 38 -29.683 -10.053 -10.779
289 HZ PHE 38 HZ PHE 38 -27.570 -8.821 -11.065
290 H TYR 39 H TYR 39 -33.897 -7.004 -8.398
291 HA TYR 39 HA TYR 39 -35.701 -6.905 -6.201
292 1HB TYR 39 2HB TYR 39 -36.038 -7.719 -9.088
293 2HB TYR 39 1HB TYR 39 -37.364 -7.779 -7.934
294 HD1 TYR 39 HD2 TYR 39 -34.832 -5.418 -9.324
295 HD2 TYR 39 HD1 TYR 39 -38.710 -5.909 -7.645
296 HE1 TYR 39 HE2 TYR 39 -35.326 -3.053 -9.786
297 HE2 TYR 39 HE1 TYR 39 -39.220 -3.549 -8.112
298 HH TYR 39 HH TYR 39 -37.075 -1.546 -9.998
299 H ASP 40 H ASP 40 -36.012 -9.536 -8.447
300 HA ASP 40 HA ASP 40 -36.302 -11.776 -8.142
301 1HB ASP 40 2HB ASP 40 -34.483 -12.387 -6.060
302 2HB ASP 40 1HB ASP 40 -34.227 -12.565 -7.795
303 H GLU 41 H GLU 41 -37.294 -13.318 -6.950
304 HA GLU 41 HA GLU 41 -38.297 -14.282 -5.145
305 1HB GLU 41 2HB GLU 41 -36.698 -12.714 -3.774
306 2HB GLU 41 1HB GLU 41 -38.166 -11.785 -3.510
307 1HG GLU 41 2HG GLU 41 -39.101 -14.188 -2.858
308 2HG GLU 41 1HG GLU 41 -37.399 -14.452 -2.484
309 H LYS 42 H LYS 42 -39.253 -10.929 -4.589
310 HA LYS 42 HA LYS 42 -41.807 -11.402 -5.900
311 1HB LYS 42 2HB LYS 42 -41.998 -12.270 -3.572
312 2HB LYS 42 1HB LYS 42 -41.688 -10.650 -2.980
313 1HG LYS 42 2HG LYS 42 -43.868 -10.920 -4.952
314 2HG LYS 42 1HG LYS 42 -44.152 -11.683 -3.393
315 1HD LYS 42 2HD LYS 42 -44.801 -9.683 -2.611
316 2HD LYS 42 1HD LYS 42 -43.144 -9.119 -2.786
317 1HE LYS 42 2HE LYS 42 -43.786 -8.657 -5.233
318 2HE LYS 42 1HE LYS 42 -45.450 -8.803 -4.670
319 1HZ LYS 42 2HZ LYS 42 -44.928 -7.069 -3.002
320 2HZ LYS 42 1HZ LYS 42 -43.413 -6.863 -3.723
321 3HZ LYS 42 3HZ LYS 42 -44.821 -6.520 -4.598
322 H ARG 43 H ARG 43 -40.699 -9.730 -7.223
323 HA ARG 43 HA ARG 43 -40.214 -7.561 -7.813
324 1HB ARG 43 2HB ARG 43 -42.729 -7.899 -7.996
325 2HB ARG 43 1HB ARG 43 -42.861 -7.019 -6.485
326 1HG ARG 43 2HG ARG 43 -43.161 -5.278 -7.899
327 2HG ARG 43 1HG ARG 43 -41.403 -5.242 -7.808
328 1HD ARG 43 2HD ARG 43 -42.774 -6.850 -9.936
329 2HD ARG 43 1HD ARG 43 -42.577 -5.112 -10.116
330 HE ARG 43 HE ARG 43 -40.228 -5.407 -10.152
331 1HH1 ARG 43 1HH2 ARG 43 -42.006 -8.407 -10.107
332 2HH1 ARG 43 2HH2 ARG 43 -40.677 -9.348 -10.693
333 1HH2 ARG 43 2HH1 ARG 43 -38.480 -6.637 -10.926
334 2HH2 ARG 43 1HH1 ARG 43 -38.672 -8.343 -11.158
335 H ASN 44 H ASN 44 -39.006 -8.163 -5.324
336 HA ASN 44 HA ASN 44 -39.483 -5.827 -3.637
337 1HB ASN 44 2HB ASN 44 -37.857 -8.341 -3.299
338 2HB ASN 44 1HB ASN 44 -37.647 -6.967 -2.219
339 1HD2 ASN 44 2HD2 ASN 44 -40.771 -9.472 -1.824
340 2HD2 ASN 44 1HD2 ASN 44 -39.577 -9.656 -3.059
341 H LEU 45 H LEU 45 -36.856 -5.475 -2.635
342 HA LEU 45 HA LEU 45 -35.129 -4.946 -4.887
343 1HB LEU 45 2HB LEU 45 -36.739 -2.824 -3.606
344 2HB LEU 45 1HB LEU 45 -35.049 -2.435 -3.859
345 HG LEU 45 HG LEU 45 -36.948 -3.323 -6.033
346 1HD1 LEU 45 3HD1 LEU 45 -36.636 -0.758 -4.791
347 2HD1 LEU 45 2HD1 LEU 45 -36.051 -0.674 -6.452
348 3HD1 LEU 45 1HD1 LEU 45 -37.689 -1.233 -6.123
349 1HD2 LEU 45 2HD2 LEU 45 -34.041 -2.722 -5.936
350 2HD2 LEU 45 1HD2 LEU 45 -34.923 -3.904 -6.902
351 3HD2 LEU 45 3HD2 LEU 45 -34.945 -2.198 -7.356
352 H GLN 46 H GLN 46 -33.484 -6.070 -3.965
353 HA GLN 46 HA GLN 46 -32.650 -5.396 -1.240
354 1HB GLN 46 2HB GLN 46 -31.623 -7.537 -3.116
355 2HB GLN 46 1HB GLN 46 -31.143 -7.327 -1.436
356 1HG GLN 46 2HG GLN 46 -33.484 -7.736 -0.757
357 2HG GLN 46 1HG GLN 46 -33.884 -8.054 -2.446
358 1HE2 GLN 46 2HE2 GLN 46 -33.340 -11.313 -0.886
359 2HE2 GLN 46 1HE2 GLN 46 -34.463 -10.006 -0.765
360 H CYS 47 H CYS 47 -30.163 -5.286 -0.952
361 HA CYS 47 HA CYS 47 -29.051 -3.578 -3.093
362 1HB CYS 47 2HB CYS 47 -29.570 -2.971 -0.359
363 2HB CYS 47 1HB CYS 47 -27.826 -2.967 -0.579
364 H ILE 48 H ILE 48 -27.524 -4.666 -4.132
365 HA ILE 48 HA ILE 48 -25.810 -6.574 -2.740
366 HB ILE 48 HB ILE 48 -26.278 -5.959 -5.641
367 1HG1 ILE 48 2HG1 ILE 48 -27.628 -7.616 -4.033
368 2HG1 ILE 48 1HG1 ILE 48 -27.355 -7.976 -5.733
369 1HG2 ILE 48 3HG2 ILE 48 -24.007 -7.483 -4.420
370 2HG2 ILE 48 2HG2 ILE 48 -24.602 -7.862 -6.036
371 3HG2 ILE 48 1HG2 ILE 48 -23.970 -6.254 -5.685
372 1HD1 ILE 48 1HD1 ILE 48 -25.444 -8.930 -3.640
373 2HD1 ILE 48 3HD1 ILE 48 -26.929 -9.813 -3.995
374 3HD1 ILE 48 2HD1 ILE 48 -25.728 -9.561 -5.263
375 H CYS 49 H CYS 49 -23.858 -6.008 -1.978
376 HA CYS 49 HA CYS 49 -22.600 -3.548 -2.991
377 1HB CYS 49 2HB CYS 49 -22.129 -5.150 -0.475
378 2HB CYS 49 1HB CYS 49 -21.125 -3.794 -0.964
379 H ASP 50 H ASP 50 -20.954 -3.684 -4.369
380 HA ASP 50 HA ASP 50 -19.648 -6.269 -4.773
381 1HB ASP 50 2HB ASP 50 -20.414 -4.113 -6.488
382 2HB ASP 50 1HB ASP 50 -18.665 -4.275 -6.593
383 H TYR 51 H TYR 51 -17.486 -6.633 -4.527
384 HA TYR 51 HA TYR 51 -15.972 -4.523 -3.121
385 1HB TYR 51 2HB TYR 51 -16.013 -7.514 -2.821
386 2HB TYR 51 1HB TYR 51 -14.674 -6.547 -2.209
387 HD1 TYR 51 HD2 TYR 51 -18.419 -6.514 -2.098
388 HD2 TYR 51 HD1 TYR 51 -14.768 -5.978 0.020
389 HE1 TYR 51 HE2 TYR 51 -19.687 -6.096 -0.032
390 HE2 TYR 51 HE1 TYR 51 -16.025 -5.561 2.093
391 HH TYR 51 HH TYR 51 -18.220 -4.860 2.807
392 H CYS 52 H CYS 52 -16.072 -6.406 -5.953
393 HA CYS 52 HA CYS 52 -13.322 -5.586 -6.594
394 1HB CYS 52 2HB CYS 52 -14.141 -8.206 -7.706
395 2HB CYS 52 1HB CYS 52 -12.577 -7.678 -7.095
396 H GLU 53 H GLU 53 -16.427 -5.236 -7.356
397 HA GLU 53 HA GLU 53 -17.642 -4.873 -9.271
398 1HB GLU 53 2HB GLU 53 -15.681 -3.010 -8.905
399 2HB GLU 53 1HB GLU 53 -15.356 -3.504 -10.557
400 1HG GLU 53 2HG GLU 53 -17.739 -3.043 -11.096
401 2HG GLU 53 1HG GLU 53 -17.931 -2.403 -9.464
402 H TYR 54 HN TYR 54 -17.322 -7.291 -9.668
403 HA TYR 54 HA TYR 54 -15.620 -8.584 -11.252
404 1HB TYR 54 2HB TYR 54 -17.362 -9.974 -10.781
405 2HB TYR 54 1HB TYR 54 -18.561 -8.701 -10.967
406 HD1 TYR 54 HD2 TYR 54 -19.183 -7.999 -13.343
407 HD2 TYR 54 HD1 TYR 54 -17.060 -11.580 -12.465
408 HE1 TYR 54 HE2 TYR 54 -19.826 -8.910 -15.535
409 HE2 TYR 54 HE1 TYR 54 -17.697 -12.501 -14.656
410 HH TYR 54 HH TYR 54 -18.424 -11.182 -17.065
No H/Q in entry = 410
Start of MODEL 28
1 HN PCA 1 HN PCA 1 -13.710 -17.403 -6.192
2 HA PCA 1 HA PCA 1 -12.520 -15.858 -4.531
3 1HB PCA 1 1HB PCA 1 -12.353 -13.682 -5.139
4 2HB PCA 1 2HB PCA 1 -14.123 -13.524 -5.221
5 1HG PCA 1 1HG PCA 1 -12.217 -13.939 -7.394
6 2HG PCA 1 2HG PCA 1 -13.958 -13.619 -7.497
7 H ASP 2 H ASP 2 -13.501 -16.731 -2.810
8 HA ASP 2 HA ASP 2 -16.134 -17.350 -2.437
9 1HB ASP 2 2HB ASP 2 -14.655 -18.203 -0.831
10 2HB ASP 2 1HB ASP 2 -13.972 -16.619 -0.481
11 H LYS 3 H LYS 3 -14.571 -14.393 -1.188
12 HA LYS 3 HA LYS 3 -17.190 -13.208 -0.720
13 1HB LYS 3 2HB LYS 3 -14.612 -11.766 -0.240
14 2HB LYS 3 1HB LYS 3 -16.132 -11.652 0.637
15 1HG LYS 3 2HG LYS 3 -15.707 -13.979 1.478
16 2HG LYS 3 1HG LYS 3 -14.095 -13.858 0.772
17 1HD LYS 3 2HD LYS 3 -13.667 -11.860 2.152
18 2HD LYS 3 1HD LYS 3 -15.264 -12.042 2.881
19 1HE LYS 3 2HE LYS 3 -12.785 -13.616 3.303
20 2HE LYS 3 1HE LYS 3 -14.029 -13.133 4.456
21 1HZ LYS 3 2HZ LYS 3 -15.491 -14.802 3.236
22 2HZ LYS 3 1HZ LYS 3 -14.059 -15.404 2.567
23 3HZ LYS 3 3HZ LYS 3 -14.283 -15.421 4.244
24 H CYS 4 H CYS 4 -17.793 -11.163 -1.519
25 HA CYS 4 HA CYS 4 -16.451 -9.538 -3.272
26 1HB CYS 4 2HB CYS 4 -17.264 -12.000 -4.549
27 2HB CYS 4 1HB CYS 4 -18.074 -10.632 -5.307
28 H LYS 5 H LYS 5 -19.664 -10.992 -3.819
29 HA LYS 5 HA LYS 5 -20.846 -8.347 -3.384
30 1HB LYS 5 2HB LYS 5 -22.961 -9.828 -4.155
31 2HB LYS 5 1HB LYS 5 -21.880 -9.027 -5.281
32 1HG LYS 5 2HG LYS 5 -20.569 -11.232 -5.302
33 2HG LYS 5 1HG LYS 5 -22.010 -11.927 -4.552
34 1HD LYS 5 2HD LYS 5 -23.332 -10.934 -6.447
35 2HD LYS 5 1HD LYS 5 -21.794 -10.544 -7.215
36 1HE LYS 5 2HE LYS 5 -21.196 -12.944 -7.146
37 2HE LYS 5 1HE LYS 5 -22.786 -13.295 -6.468
38 1HZ LYS 5 1HZ LYS 5 -22.273 -12.068 -9.126
39 2HZ LYS 5 3HZ LYS 5 -22.737 -13.672 -8.853
40 3HZ LYS 5 2HZ LYS 5 -23.798 -12.410 -8.478
41 H LYS 6 H LYS 6 -22.189 -7.886 -1.701
42 HA LYS 6 HA LYS 6 -23.092 -10.083 0.019
43 1HB LYS 6 2HB LYS 6 -21.935 -7.688 1.375
44 2HB LYS 6 1HB LYS 6 -22.069 -9.346 1.948
45 1HG LYS 6 2HG LYS 6 -20.176 -8.475 -0.220
46 2HG LYS 6 1HG LYS 6 -19.745 -8.547 1.487
47 1HD LYS 6 2HD LYS 6 -20.966 -11.037 0.706
48 2HD LYS 6 1HD LYS 6 -19.668 -10.646 -0.421
49 1HE LYS 6 2HE LYS 6 -18.676 -11.912 1.305
50 2HE LYS 6 1HE LYS 6 -18.206 -10.238 1.597
51 1HZ LYS 6 3HZ LYS 6 -20.429 -11.649 2.973
52 2HZ LYS 6 2HZ LYS 6 -18.894 -11.380 3.628
53 3HZ LYS 6 1HZ LYS 6 -19.905 -10.069 3.284
54 H VAL 7 H VAL 7 -25.204 -9.858 0.153
55 HA VAL 7 HA VAL 7 -26.586 -7.452 -0.363
56 HB VAL 7 HB VAL 7 -28.463 -8.709 -0.340
57 1HG1 VAL 7 2HG1 VAL 7 -26.557 -10.160 -1.280
58 2HG1 VAL 7 1HG1 VAL 7 -26.767 -11.116 0.188
59 3HG1 VAL 7 3HG1 VAL 7 -28.111 -10.921 -0.936
60 1HG2 VAL 7 2HG2 VAL 7 -27.512 -9.912 2.260
61 2HG2 VAL 7 1HG2 VAL 7 -28.795 -8.725 2.026
62 3HG2 VAL 7 3HG2 VAL 7 -29.009 -10.380 1.455
63 H TYR 8 H TYR 8 -27.351 -5.886 0.959
64 HA TYR 8 HA TYR 8 -26.183 -5.593 3.519
65 1HB TYR 8 2HB TYR 8 -27.259 -3.836 1.818
66 2HB TYR 8 1HB TYR 8 -28.657 -4.070 2.862
67 HD1 TYR 8 HD1 TYR 8 -27.297 -4.457 5.484
68 HD2 TYR 8 HD2 TYR 8 -26.560 -1.663 2.359
69 HE1 TYR 8 HE1 TYR 8 -26.343 -2.885 7.118
70 HE2 TYR 8 HE2 TYR 8 -25.610 -0.086 3.987
71 HH TYR 8 HH TYR 8 -24.703 0.018 6.133
72 H GLU 9 H GLU 9 -26.664 -6.971 5.101
73 HA GLU 9 HA GLU 9 -29.058 -8.417 5.319
74 1HB GLU 9 2HB GLU 9 -27.334 -7.800 7.688
75 2HB GLU 9 1HB GLU 9 -28.203 -9.280 7.313
76 1HG GLU 9 2HG GLU 9 -26.613 -9.565 5.370
77 2HG GLU 9 1HG GLU 9 -25.669 -8.256 6.076
78 H ASN 10 H ASN 10 -29.823 -5.799 4.964
79 HA ASN 10 HA ASN 10 -31.855 -5.439 6.780
80 1HB ASN 10 2HB ASN 10 -29.282 -4.266 7.673
81 2HB ASN 10 1HB ASN 10 -30.691 -3.223 7.826
82 1HD2 ASN 10 2HD2 ASN 10 -32.298 -5.828 9.937
83 2HD2 ASN 10 1HD2 ASN 10 -32.620 -5.168 8.373
84 H TYR 11 H TYR 11 -29.993 -2.580 6.261
85 HA TYR 11 HA TYR 11 -31.078 -0.666 5.275
86 1HB TYR 11 2HB TYR 11 -28.792 -1.480 4.390
87 2HB TYR 11 1HB TYR 11 -29.687 -1.953 2.950
88 HD1 TYR 11 HD2 TYR 11 -30.920 -0.182 1.656
89 HD2 TYR 11 HD1 TYR 11 -28.207 0.768 4.791
90 HE1 TYR 11 HE2 TYR 11 -30.765 2.124 0.813
91 HE2 TYR 11 HE1 TYR 11 -28.046 3.075 3.959
92 HH TYR 11 HH TYR 11 -29.220 4.018 0.913
93 HA PRO 12 HA PRO 12 -34.688 -2.725 3.188
94 1HB PRO 12 2HB PRO 12 -36.079 -0.503 4.566
95 2HB PRO 12 1HB PRO 12 -36.458 -2.228 4.548
96 1HG PRO 12 2HG PRO 12 -35.441 -1.053 6.724
97 2HG PRO 12 1HG PRO 12 -34.988 -2.706 6.269
98 1HD PRO 12 2HD PRO 12 -33.471 -0.151 5.889
99 2HD PRO 12 1HD PRO 12 -32.879 -1.750 6.388
100 H VAL 13 H VAL 13 -34.482 -2.165 1.110
101 HA VAL 13 HA VAL 13 -33.867 -0.569 -0.594
102 HB VAL 13 HB VAL 13 -36.860 -0.418 -0.227
103 1HG1 VAL 13 3HG1 VAL 13 -35.646 1.005 -2.000
104 2HG1 VAL 13 2HG1 VAL 13 -35.359 -0.525 -2.823
105 3HG1 VAL 13 1HG1 VAL 13 -37.010 0.016 -2.517
106 1HG2 VAL 13 2HG2 VAL 13 -36.056 -2.724 -0.022
107 2HG2 VAL 13 1HG2 VAL 13 -36.987 -2.482 -1.500
108 3HG2 VAL 13 3HG2 VAL 13 -35.227 -2.567 -1.570
109 H SER 14 H SER 14 -36.684 1.263 -0.098
110 HA SER 14 HA SER 14 -37.068 3.344 0.845
111 1HB SER 14 2HB SER 14 -35.528 4.435 2.186
112 2HB SER 14 1HB SER 14 -34.981 2.765 2.337
113 HG SER 14 HG SER 14 -33.521 4.748 1.611
114 H LYS 15 H LYS 15 -34.161 2.979 -1.160
115 HA LYS 15 HA LYS 15 -35.216 4.552 -3.259
116 1HB LYS 15 2HB LYS 15 -34.324 6.094 -1.180
117 2HB LYS 15 1HB LYS 15 -32.889 6.023 -2.183
118 1HG LYS 15 2HG LYS 15 -33.816 7.834 -3.156
119 2HG LYS 15 1HG LYS 15 -34.718 6.621 -4.065
120 1HD LYS 15 2HD LYS 15 -36.624 6.868 -2.658
121 2HD LYS 15 1HD LYS 15 -35.717 7.828 -1.486
122 1HE LYS 15 2HE LYS 15 -36.161 8.698 -4.331
123 2HE LYS 15 1HE LYS 15 -37.255 9.119 -3.013
124 1HZ LYS 15 2HZ LYS 15 -35.033 9.920 -1.919
125 2HZ LYS 15 1HZ LYS 15 -34.521 10.037 -3.527
126 3HZ LYS 15 3HZ LYS 15 -35.870 10.913 -3.004
127 H CYS 16 H CYS 16 -34.435 2.424 -4.086
128 HA CYS 16 HA CYS 16 -31.675 1.804 -4.153
129 1HB CYS 16 2HB CYS 16 -34.119 0.792 -5.504
130 2HB CYS 16 1HB CYS 16 -32.582 0.435 -6.284
131 H GLN 17 H GLN 17 -33.778 2.996 -6.787
132 HA GLN 17 HA GLN 17 -33.340 4.285 -8.609
133 1HB GLN 17 2HB GLN 17 -30.810 5.318 -7.413
134 2HB GLN 17 1HB GLN 17 -32.078 6.179 -8.275
135 1HG GLN 17 2HG GLN 17 -33.483 5.523 -6.135
136 2HG GLN 17 1HG GLN 17 -31.879 5.463 -5.403
137 1HE2 GLN 17 2HE2 GLN 17 -33.674 8.972 -6.160
138 2HE2 GLN 17 1HE2 GLN 17 -34.425 7.443 -6.447
139 H LEU 18 H LEU 18 -31.726 1.659 -7.956
140 HA LEU 18 HA LEU 18 -29.894 0.517 -8.817
141 1HB LEU 18 2HB LEU 18 -31.487 1.429 -11.203
142 2HB LEU 18 1HB LEU 18 -30.226 0.216 -11.278
143 HG LEU 18 HG LEU 18 -31.578 -1.079 -9.538
144 1HD1 LEU 18 2HD1 LEU 18 -33.567 1.024 -10.339
145 2HD1 LEU 18 1HD1 LEU 18 -34.050 -0.544 -9.691
146 3HD1 LEU 18 3HD1 LEU 18 -33.065 0.548 -8.717
147 1HD2 LEU 18 1HD2 LEU 18 -31.424 -1.725 -11.894
148 2HD2 LEU 18 3HD2 LEU 18 -33.028 -2.047 -11.238
149 3HD2 LEU 18 2HD2 LEU 18 -32.766 -0.647 -12.276
150 H ALA 19 H ALA 19 -29.208 3.326 -8.376
151 HA ALA 19 HA ALA 19 -26.719 3.421 -9.592
152 1HB ALA 19 3HB ALA 19 -28.863 4.797 -11.149
153 2HB ALA 19 2HB ALA 19 -27.214 5.425 -11.155
154 3HB ALA 19 1HB ALA 19 -27.535 3.786 -11.719
155 H ASN 20 H ASN 20 -27.955 4.023 -7.079
156 HA ASN 20 HA ASN 20 -26.574 6.428 -6.473
157 1HB ASN 20 2HB ASN 20 -28.979 7.031 -7.465
158 2HB ASN 20 1HB ASN 20 -29.467 6.711 -5.804
159 1HD2 ASN 20 2HD2 ASN 20 -26.798 9.312 -4.949
160 2HD2 ASN 20 1HD2 ASN 20 -26.721 7.587 -4.935
161 H GLN 21 H GLN 21 -28.607 6.850 -4.232
162 HA GLN 21 HA GLN 21 -27.871 6.305 -1.962
163 1HB GLN 21 2HB GLN 21 -30.382 5.890 -2.959
164 2HB GLN 21 1HB GLN 21 -30.037 4.327 -2.233
165 1HG GLN 21 2HG GLN 21 -30.945 5.363 -0.431
166 2HG GLN 21 1HG GLN 21 -29.268 5.861 -0.209
167 1HE2 GLN 21 2HE2 GLN 21 -30.132 9.122 -1.799
168 2HE2 GLN 21 1HE2 GLN 21 -29.149 7.778 -2.258
169 H CYS 22 H CYS 22 -28.874 3.249 -3.479
170 HA CYS 22 HA CYS 22 -27.430 1.582 -1.765
171 1HB CYS 22 2HB CYS 22 -29.313 1.008 -3.438
172 2HB CYS 22 1HB CYS 22 -28.023 0.864 -4.627
173 H ASN 23 H ASN 23 -26.670 2.208 -5.197
174 HA ASN 23 HA ASN 23 -24.137 1.118 -5.219
175 1HB ASN 23 2HB ASN 23 -25.471 1.988 -7.202
176 2HB ASN 23 1HB ASN 23 -24.896 3.597 -6.773
177 1HD2 ASN 23 2HD2 ASN 23 -22.524 2.663 -9.260
178 2HD2 ASN 23 1HD2 ASN 23 -24.110 3.317 -9.058
179 H TYR 24 H TYR 24 -24.989 4.537 -4.726
180 HA TYR 24 HA TYR 24 -22.446 5.504 -4.183
181 1HB TYR 24 2HB TYR 24 -23.978 7.207 -4.425
182 2HB TYR 24 1HB TYR 24 -25.219 6.367 -3.503
183 HD1 TYR 24 HD1 TYR 24 -22.065 8.295 -3.176
184 HD2 TYR 24 HD2 TYR 24 -25.546 6.829 -1.221
185 HE1 TYR 24 HE1 TYR 24 -21.537 9.679 -1.213
186 HE2 TYR 24 HE2 TYR 24 -25.028 8.208 0.749
187 HH TYR 24 HH TYR 24 -22.261 9.385 1.497
188 H ASP 25 H ASP 25 -24.849 4.106 -1.982
189 HA ASP 25 HA ASP 25 -23.484 4.487 0.418
190 1HB ASP 25 2HB ASP 25 -25.507 2.461 -0.485
191 2HB ASP 25 1HB ASP 25 -24.778 2.340 1.112
192 H CYS 26 H CYS 26 -23.625 1.391 -1.390
193 HA CYS 26 HA CYS 26 -21.636 0.119 0.060
194 1HB CYS 26 2HB CYS 26 -22.127 -0.207 -2.911
195 2HB CYS 26 1HB CYS 26 -21.351 -1.372 -1.849
196 H LYS 27 H LYS 27 -21.330 1.965 -2.943
197 HA LYS 27 HA LYS 27 -18.564 1.807 -3.237
198 1HB LYS 27 2HB LYS 27 -20.365 2.632 -4.879
199 2HB LYS 27 1HB LYS 27 -20.167 4.195 -4.100
200 1HG LYS 27 2HG LYS 27 -17.862 4.295 -4.750
201 2HG LYS 27 1HG LYS 27 -17.923 2.646 -5.375
202 1HD LYS 27 2HD LYS 27 -19.077 3.254 -7.258
203 2HD LYS 27 1HD LYS 27 -19.853 4.629 -6.471
204 1HE LYS 27 2HE LYS 27 -17.645 5.786 -6.468
205 2HE LYS 27 1HE LYS 27 -16.994 4.447 -7.409
206 1HZ LYS 27 1HZ LYS 27 -18.887 4.977 -9.022
207 2HZ LYS 27 3HZ LYS 27 -18.998 6.459 -8.212
208 3HZ LYS 27 2HZ LYS 27 -17.560 6.027 -8.991
209 H LEU 28 H LEU 28 -19.824 2.960 -0.504
210 HA LEU 28 HA LEU 28 -17.506 4.546 0.048
211 1HB LEU 28 2HB LEU 28 -19.228 6.026 -1.244
212 2HB LEU 28 1HB LEU 28 -20.048 6.096 0.303
213 HG LEU 28 HG LEU 28 -18.757 8.029 0.283
214 1HD1 LEU 28 2HD1 LEU 28 -18.436 6.613 2.320
215 2HD1 LEU 28 1HD1 LEU 28 -16.909 6.069 1.626
216 3HD1 LEU 28 3HD1 LEU 28 -17.146 7.773 2.012
217 1HD2 LEU 28 2HD2 LEU 28 -16.531 6.372 -0.892
218 2HD2 LEU 28 1HD2 LEU 28 -17.451 7.651 -1.683
219 3HD2 LEU 28 3HD2 LEU 28 -16.351 8.043 -0.362
220 H ASP 29 H ASP 29 -20.864 4.066 1.185
221 HA ASP 29 HA ASP 29 -20.231 4.441 3.912
222 1HB ASP 29 2HB ASP 29 -22.580 3.461 2.383
223 2HB ASP 29 1HB ASP 29 -22.501 3.006 4.081
224 H LYS 30 H LYS 30 -19.402 1.922 1.883
225 HA LYS 30 HA LYS 30 -18.737 0.239 4.175
226 1HB LYS 30 2HB LYS 30 -20.653 -0.456 2.048
227 2HB LYS 30 1HB LYS 30 -19.412 -1.671 2.287
228 1HG LYS 30 2HG LYS 30 -20.701 -2.504 3.912
229 2HG LYS 30 1HG LYS 30 -20.276 -1.096 4.877
230 1HD LYS 30 2HD LYS 30 -22.593 -1.084 4.937
231 2HD LYS 30 1HD LYS 30 -22.232 0.055 3.640
232 1HE LYS 30 2HE LYS 30 -22.366 -2.365 2.316
233 2HE LYS 30 1HE LYS 30 -23.629 -2.512 3.537
234 1HZ LYS 30 3HZ LYS 30 -24.414 -0.274 2.745
235 2HZ LYS 30 2HZ LYS 30 -23.364 -0.448 1.431
236 3HZ LYS 30 1HZ LYS 30 -24.626 -1.552 1.656
237 H HIS 31 H HIS 31 -17.328 2.020 2.270
238 HA HIS 31 HA HIS 31 -15.531 2.027 0.832
239 1HB HIS 31 2HB HIS 31 -14.472 -0.171 2.589
240 2HB HIS 31 1HB HIS 31 -13.604 1.183 1.871
241 HD1 HIS 31 HD1 HIS 31 -14.693 0.093 5.023
242 HD2 HIS 31 HD2 HIS 31 -14.801 3.761 3.073
243 HE1 HIS 31 HE1 HIS 31 -14.963 1.812 6.838
244 HE2 HIS 31 HE2 HIS 31 -14.995 4.028 5.639
245 H ALA 32 H ALA 32 -17.565 0.369 -0.189
246 HA ALA 32 HA ALA 32 -16.310 -2.086 -1.090
247 1HB ALA 32 3HB ALA 32 -18.754 -1.908 -0.511
248 2HB ALA 32 2HB ALA 32 -18.959 -0.956 -1.981
249 3HB ALA 32 1HB ALA 32 -18.404 -2.628 -2.083
250 H ARG 33 H ARG 33 -16.954 -2.454 -3.620
251 HA ARG 33 HA ARG 33 -15.382 -0.427 -5.029
252 1HB ARG 33 2HB ARG 33 -16.042 -3.304 -5.534
253 2HB ARG 33 1HB ARG 33 -15.618 -2.283 -6.899
254 1HG ARG 33 2HG ARG 33 -13.548 -1.669 -5.407
255 2HG ARG 33 1HG ARG 33 -13.934 -3.203 -4.624
256 1HD ARG 33 2HD ARG 33 -12.819 -2.667 -7.298
257 2HD ARG 33 1HD ARG 33 -12.620 -4.071 -6.248
258 HE ARG 33 HE ARG 33 -15.237 -4.042 -7.277
259 1HH1 ARG 33 1HH2 ARG 33 -11.948 -4.565 -8.304
260 2HH1 ARG 33 2HH2 ARG 33 -12.386 -5.632 -9.597
261 1HH2 ARG 33 2HH1 ARG 33 -15.821 -5.445 -8.982
262 2HH2 ARG 33 1HH1 ARG 33 -14.584 -6.133 -9.981
263 H SER 34 H SER 34 -18.464 -2.168 -5.285
264 HA SER 34 HA SER 34 -19.789 0.100 -6.364
265 1HB SER 34 2HB SER 34 -20.384 -1.198 -8.559
266 2HB SER 34 1HB SER 34 -18.876 -0.290 -8.467
267 HG SER 34 HG SER 34 -18.284 -2.638 -7.539
268 H GLY 35 H GLY 35 -21.890 -0.045 -5.896
269 1HA GLY 35 2HA GLY 35 -22.909 -2.662 -5.004
270 2HA GLY 35 1HA GLY 35 -23.553 -1.095 -4.537
271 H GLU 36 H GLU 36 -25.383 -2.831 -5.263
272 HA GLU 36 HA GLU 36 -26.666 -1.606 -7.443
273 1HB GLU 36 2HB GLU 36 -24.789 -3.299 -8.397
274 2HB GLU 36 1HB GLU 36 -26.132 -4.420 -8.233
275 1HG GLU 36 2HG GLU 36 -27.434 -3.276 -9.792
276 2HG GLU 36 1HG GLU 36 -26.462 -1.811 -9.670
277 H CYS 37 H CYS 37 -28.811 -2.039 -7.425
278 HA CYS 37 HA CYS 37 -29.749 -3.771 -5.295
279 1HB CYS 37 2HB CYS 37 -30.972 -1.598 -6.946
280 2HB CYS 37 1HB CYS 37 -32.018 -2.741 -6.113
281 H PHE 38 H PHE 38 -30.139 -5.838 -5.720
282 HA PHE 38 HA PHE 38 -30.992 -6.624 -8.416
283 1HB PHE 38 2HB PHE 38 -29.683 -8.047 -6.138
284 2HB PHE 38 1HB PHE 38 -30.649 -8.988 -7.267
285 HD1 PHE 38 HD2 PHE 38 -27.797 -6.627 -7.071
286 HD2 PHE 38 HD1 PHE 38 -29.769 -9.656 -9.318
287 HE1 PHE 38 HE2 PHE 38 -25.888 -6.714 -8.619
288 HE2 PHE 38 HE1 PHE 38 -27.862 -9.749 -10.871
289 HZ PHE 38 HZ PHE 38 -25.918 -8.278 -10.521
290 H TYR 39 H TYR 39 -32.924 -7.658 -8.815
291 HA TYR 39 HA TYR 39 -34.961 -7.280 -6.811
292 1HB TYR 39 2HB TYR 39 -35.021 -8.141 -9.691
293 2HB TYR 39 1HB TYR 39 -36.454 -8.246 -8.675
294 HD1 TYR 39 HD1 TYR 39 -33.790 -5.709 -9.387
295 HD2 TYR 39 HD2 TYR 39 -37.938 -6.509 -8.914
296 HE1 TYR 39 HE1 TYR 39 -34.297 -3.351 -9.867
297 HE2 TYR 39 HE2 TYR 39 -38.457 -4.159 -9.392
298 HH TYR 39 HH TYR 39 -36.125 -1.725 -9.412
299 H ASP 40 H ASP 40 -36.745 -9.317 -7.235
300 HA ASP 40 HA ASP 40 -35.612 -11.902 -7.129
301 1HB ASP 40 2HB ASP 40 -36.194 -12.234 -4.622
302 2HB ASP 40 1HB ASP 40 -34.665 -11.473 -5.044
303 H GLU 41 H GLU 41 -37.092 -13.557 -6.680
304 HA GLU 41 HA GLU 41 -39.141 -14.344 -7.548
305 1HB GLU 41 2HB GLU 41 -39.625 -13.441 -4.710
306 2HB GLU 41 1HB GLU 41 -40.561 -14.658 -5.567
307 1HG GLU 41 2HG GLU 41 -38.198 -15.771 -5.880
308 2HG GLU 41 1HG GLU 41 -37.810 -14.809 -4.456
309 H LYS 42 H LYS 42 -40.463 -11.917 -5.345
310 HA LYS 42 HA LYS 42 -42.403 -11.192 -7.392
311 1HB LYS 42 2HB LYS 42 -42.267 -11.045 -4.440
312 2HB LYS 42 1HB LYS 42 -43.146 -9.737 -5.219
313 1HG LYS 42 2HG LYS 42 -44.735 -11.389 -4.700
314 2HG LYS 42 1HG LYS 42 -44.463 -11.496 -6.439
315 1HD LYS 42 2HD LYS 42 -42.649 -13.272 -5.682
316 2HD LYS 42 1HD LYS 42 -43.705 -13.390 -4.273
317 1HE LYS 42 2HE LYS 42 -45.618 -13.744 -5.861
318 2HE LYS 42 1HE LYS 42 -44.431 -13.855 -7.160
319 1HZ LYS 42 1HZ LYS 42 -44.182 -15.578 -4.783
320 2HZ LYS 42 3HZ LYS 42 -45.258 -15.997 -6.020
321 3HZ LYS 42 2HZ LYS 42 -43.607 -15.837 -6.352
322 H ARG 43 H ARG 43 -40.310 -10.247 -8.436
323 HA ARG 43 HA ARG 43 -38.893 -8.488 -8.821
324 1HB ARG 43 2HB ARG 43 -41.632 -7.228 -8.992
325 2HB ARG 43 1HB ARG 43 -40.178 -6.629 -9.780
326 1HG ARG 43 2HG ARG 43 -41.171 -9.401 -10.316
327 2HG ARG 43 1HG ARG 43 -41.869 -8.010 -11.145
328 1HD ARG 43 2HD ARG 43 -39.776 -7.432 -12.115
329 2HD ARG 43 1HD ARG 43 -38.913 -8.583 -11.097
330 HE ARG 43 HE ARG 43 -40.757 -10.029 -12.585
331 1HH1 ARG 43 1HH2 ARG 43 -37.940 -8.055 -13.145
332 2HH1 ARG 43 2HH2 ARG 43 -37.477 -8.898 -14.587
333 1HH2 ARG 43 1HH1 ARG 43 -38.734 -10.652 -15.346
334 2HH2 ARG 43 2HH1 ARG 43 -40.154 -11.142 -14.483
335 H ASN 44 H ASN 44 -38.397 -8.614 -6.333
336 HA ASN 44 HA ASN 44 -39.174 -6.129 -4.996
337 1HB ASN 44 2HB ASN 44 -38.605 -8.774 -4.093
338 2HB ASN 44 1HB ASN 44 -37.374 -7.727 -3.404
339 1HD2 ASN 44 2HD2 ASN 44 -41.130 -7.725 -1.993
340 2HD2 ASN 44 1HD2 ASN 44 -40.596 -8.770 -3.260
341 H LEU 45 H LEU 45 -36.704 -6.050 -3.398
342 HA LEU 45 HA LEU 45 -34.565 -5.634 -5.286
343 1HB LEU 45 2HB LEU 45 -35.877 -3.298 -3.901
344 2HB LEU 45 1HB LEU 45 -34.252 -3.230 -4.554
345 HG LEU 45 HG LEU 45 -35.474 -4.061 -6.760
346 1HD1 LEU 45 1HD1 LEU 45 -37.691 -3.772 -5.154
347 2HD1 LEU 45 3HD1 LEU 45 -37.658 -2.255 -6.045
348 3HD1 LEU 45 2HD1 LEU 45 -37.685 -3.788 -6.913
349 1HD2 LEU 45 1HD2 LEU 45 -34.141 -2.026 -6.529
350 2HD2 LEU 45 3HD2 LEU 45 -35.593 -1.743 -7.488
351 3HD2 LEU 45 2HD2 LEU 45 -35.522 -1.199 -5.812
352 H GLN 46 H GLN 46 -32.566 -5.660 -4.351
353 HA GLN 46 HA GLN 46 -32.356 -5.476 -1.440
354 1HB GLN 46 2HB GLN 46 -31.868 -7.928 -3.069
355 2HB GLN 46 1HB GLN 46 -30.793 -7.610 -1.715
356 1HG GLN 46 2HG GLN 46 -32.483 -7.831 -0.149
357 2HG GLN 46 1HG GLN 46 -33.755 -7.542 -1.336
358 1HE2 GLN 46 2HE2 GLN 46 -32.001 -11.139 -1.972
359 2HE2 GLN 46 1HE2 GLN 46 -31.115 -9.658 -2.054
360 H CYS 47 H CYS 47 -30.555 -4.460 -0.815
361 HA CYS 47 HA CYS 47 -28.842 -3.340 -2.794
362 1HB CYS 47 2HB CYS 47 -29.352 -2.971 0.062
363 2HB CYS 47 1HB CYS 47 -27.659 -2.740 -0.367
364 H ILE 48 H ILE 48 -27.463 -4.669 -3.801
365 HA ILE 48 HA ILE 48 -25.809 -6.502 -2.229
366 HB ILE 48 HB ILE 48 -26.349 -6.266 -5.178
367 1HG1 ILE 48 2HG1 ILE 48 -26.656 -8.470 -3.126
368 2HG1 ILE 48 1HG1 ILE 48 -27.948 -7.572 -3.913
369 1HG2 ILE 48 2HG2 ILE 48 -24.146 -7.833 -3.842
370 2HG2 ILE 48 1HG2 ILE 48 -24.710 -8.140 -5.482
371 3HG2 ILE 48 3HG2 ILE 48 -23.977 -6.590 -5.082
372 1HD1 ILE 48 1HD1 ILE 48 -26.662 -8.619 -6.054
373 2HD1 ILE 48 3HD1 ILE 48 -26.408 -9.878 -4.847
374 3HD1 ILE 48 2HD1 ILE 48 -28.044 -9.361 -5.250
375 H CYS 49 H CYS 49 -23.952 -5.727 -1.458
376 HA CYS 49 HA CYS 49 -22.641 -3.498 -2.845
377 1HB CYS 49 2HB CYS 49 -22.134 -4.745 -0.135
378 2HB CYS 49 1HB CYS 49 -21.197 -3.416 -0.805
379 H ASP 50 H ASP 50 -21.085 -3.911 -4.267
380 HA ASP 50 HA ASP 50 -19.754 -6.516 -4.225
381 1HB ASP 50 2HB ASP 50 -20.796 -5.227 -6.318
382 2HB ASP 50 1HB ASP 50 -19.186 -4.512 -6.363
383 H TYR 51 H TYR 51 -17.930 -6.763 -3.293
384 HA TYR 51 HA TYR 51 -16.175 -4.483 -2.764
385 1HB TYR 51 2HB TYR 51 -16.307 -7.283 -1.642
386 2HB TYR 51 1HB TYR 51 -15.053 -6.122 -1.210
387 HD1 TYR 51 HD2 TYR 51 -18.589 -7.000 -0.887
388 HD2 TYR 51 HD1 TYR 51 -15.561 -4.252 0.256
389 HE1 TYR 51 HE2 TYR 51 -20.058 -6.144 0.884
390 HE2 TYR 51 HE1 TYR 51 -17.015 -3.380 2.037
391 HH TYR 51 HH TYR 51 -19.377 -4.792 3.337
392 H CYS 52 H CYS 52 -15.152 -7.814 -2.934
393 HA CYS 52 HA CYS 52 -13.606 -8.901 -4.187
394 1HB CYS 52 2HB CYS 52 -14.267 -6.905 -6.354
395 2HB CYS 52 1HB CYS 52 -13.566 -8.507 -6.564
396 H GLU 53 H GLU 53 -12.905 -6.510 -2.585
397 HA GLU 53 HA GLU 53 -10.324 -5.897 -3.878
398 1HB GLU 53 2HB GLU 53 -11.836 -3.929 -3.856
399 2HB GLU 53 1HB GLU 53 -11.931 -4.045 -2.104
400 1HG GLU 53 2HG GLU 53 -9.659 -3.465 -1.845
401 2HG GLU 53 1HG GLU 53 -9.333 -3.686 -3.564
402 H TYR 54 HN TYR 54 -11.773 -7.532 -1.460
403 HA TYR 54 HA TYR 54 -10.074 -6.874 0.746
404 1HB TYR 54 2HB TYR 54 -12.164 -8.920 0.183
405 2HB TYR 54 1HB TYR 54 -11.017 -9.272 1.473
406 HD1 TYR 54 HD2 TYR 54 -12.119 -5.860 0.654
407 HD2 TYR 54 HD1 TYR 54 -12.629 -9.191 3.249
408 HE1 TYR 54 HE2 TYR 54 -13.423 -4.453 2.191
409 HE2 TYR 54 HE1 TYR 54 -13.938 -7.795 4.794
410 HH TYR 54 HH TYR 54 -14.430 -5.611 5.336
No H/Q in entry = 410
Start of MODEL 29
1 HN PCA 1 HN PCA 1 -15.318 -15.015 4.864
2 HA PCA 1 HA PCA 1 -17.720 -14.269 4.394
3 1HB PCA 1 1HB PCA 1 -18.434 -12.467 5.562
4 2HB PCA 1 2HB PCA 1 -17.195 -11.440 4.806
5 1HG PCA 1 1HG PCA 1 -17.183 -12.657 7.450
6 2HG PCA 1 2HG PCA 1 -15.994 -11.546 6.743
7 H ASP 2 H ASP 2 -15.450 -14.833 2.858
8 HA ASP 2 HA ASP 2 -14.742 -12.693 1.128
9 1HB ASP 2 2HB ASP 2 -13.256 -14.587 1.362
10 2HB ASP 2 1HB ASP 2 -14.505 -15.689 0.788
11 H LYS 3 H LYS 3 -17.401 -12.476 1.237
12 HA LYS 3 HA LYS 3 -18.639 -13.837 -1.003
13 1HB LYS 3 2HB LYS 3 -19.547 -12.048 1.190
14 2HB LYS 3 1HB LYS 3 -20.491 -12.018 -0.295
15 1HG LYS 3 2HG LYS 3 -19.830 -14.691 0.782
16 2HG LYS 3 1HG LYS 3 -20.964 -13.722 1.725
17 1HD LYS 3 2HD LYS 3 -22.308 -13.400 -0.351
18 2HD LYS 3 1HD LYS 3 -21.220 -14.521 -1.174
19 1HE LYS 3 2HE LYS 3 -21.811 -16.256 0.473
20 2HE LYS 3 1HE LYS 3 -22.940 -15.132 1.228
21 1HZ LYS 3 1HZ LYS 3 -23.124 -15.938 -1.619
22 2HZ LYS 3 3HZ LYS 3 -23.942 -16.744 -0.376
23 3HZ LYS 3 2HZ LYS 3 -24.283 -15.119 -0.700
24 H CYS 4 H CYS 4 -18.681 -13.140 -2.999
25 HA CYS 4 HA CYS 4 -17.404 -10.703 -3.752
26 1HB CYS 4 2HB CYS 4 -18.691 -12.996 -5.143
27 2HB CYS 4 1HB CYS 4 -18.526 -11.494 -6.053
28 H LYS 5 H LYS 5 -20.530 -11.450 -2.736
29 HA LYS 5 HA LYS 5 -21.489 -8.824 -3.590
30 1HB LYS 5 2HB LYS 5 -22.584 -11.437 -4.453
31 2HB LYS 5 1HB LYS 5 -23.784 -10.284 -3.896
32 1HG LYS 5 2HG LYS 5 -23.757 -9.788 -6.115
33 2HG LYS 5 1HG LYS 5 -22.516 -8.669 -5.559
34 1HD LYS 5 2HD LYS 5 -21.429 -9.626 -7.329
35 2HD LYS 5 1HD LYS 5 -20.935 -10.724 -6.044
36 1HE LYS 5 2HE LYS 5 -23.177 -11.959 -6.778
37 2HE LYS 5 1HE LYS 5 -22.798 -11.164 -8.306
38 1HZ LYS 5 2HZ LYS 5 -20.787 -12.761 -6.837
39 2HZ LYS 5 1HZ LYS 5 -21.856 -13.471 -7.939
40 3HZ LYS 5 3HZ LYS 5 -20.767 -12.284 -8.460
41 H LYS 6 H LYS 6 -21.491 -8.018 -1.529
42 HA LYS 6 HA LYS 6 -22.828 -9.531 0.585
43 1HB LYS 6 2HB LYS 6 -21.226 -6.971 0.639
44 2HB LYS 6 1HB LYS 6 -22.000 -7.676 2.054
45 1HG LYS 6 2HG LYS 6 -20.658 -9.763 1.604
46 2HG LYS 6 1HG LYS 6 -19.763 -8.826 0.408
47 1HD LYS 6 2HD LYS 6 -18.742 -7.515 2.000
48 2HD LYS 6 1HD LYS 6 -20.038 -7.742 3.176
49 1HE LYS 6 2HE LYS 6 -19.272 -9.855 3.795
50 2HE LYS 6 1HE LYS 6 -18.312 -10.039 2.328
51 1HZ LYS 6 2HZ LYS 6 -16.843 -8.267 3.164
52 2HZ LYS 6 1HZ LYS 6 -17.732 -8.220 4.602
53 3HZ LYS 6 3HZ LYS 6 -16.875 -9.618 4.183
54 H VAL 7 H VAL 7 -24.974 -9.358 0.587
55 HA VAL 7 HA VAL 7 -26.407 -7.155 -0.439
56 HB VAL 7 HB VAL 7 -28.340 -8.282 0.048
57 1HG1 VAL 7 2HG1 VAL 7 -26.780 -9.682 -1.285
58 2HG1 VAL 7 1HG1 VAL 7 -26.342 -10.531 0.197
59 3HG1 VAL 7 3HG1 VAL 7 -27.997 -10.606 -0.406
60 1HG2 VAL 7 3HG2 VAL 7 -26.937 -9.285 2.503
61 2HG2 VAL 7 2HG2 VAL 7 -28.409 -8.321 2.382
62 3HG2 VAL 7 1HG2 VAL 7 -28.431 -10.024 1.926
63 H TYR 8 H TYR 8 -27.085 -5.303 0.454
64 HA TYR 8 HA TYR 8 -26.145 -4.579 3.060
65 1HB TYR 8 2HB TYR 8 -26.556 -3.106 0.906
66 2HB TYR 8 1HB TYR 8 -28.162 -2.927 1.599
67 HD1 TYR 8 HD1 TYR 8 -27.735 -2.638 4.431
68 HD2 TYR 8 HD2 TYR 8 -25.363 -1.168 1.218
69 HE1 TYR 8 HE1 TYR 8 -26.911 -0.838 5.875
70 HE2 TYR 8 HE2 TYR 8 -24.524 0.638 2.660
71 HH TYR 8 HH TYR 8 -25.497 0.868 6.067
72 H GLU 9 H GLU 9 -27.487 -6.624 3.735
73 HA GLU 9 HA GLU 9 -29.450 -7.552 4.583
74 1HB GLU 9 2HB GLU 9 -29.041 -5.142 6.355
75 2HB GLU 9 1HB GLU 9 -29.765 -6.681 6.809
76 1HG GLU 9 2HG GLU 9 -27.423 -7.608 6.015
77 2HG GLU 9 1HG GLU 9 -26.914 -5.967 6.408
78 H ASN 10 H ASN 10 -31.328 -6.092 6.232
79 HA ASN 10 HA ASN 10 -33.389 -5.697 4.389
80 1HB ASN 10 2HB ASN 10 -33.261 -4.600 7.202
81 2HB ASN 10 1HB ASN 10 -34.714 -4.928 6.260
82 1HD2 ASN 10 2HD2 ASN 10 -34.632 -7.803 8.351
83 2HD2 ASN 10 1HD2 ASN 10 -35.146 -6.155 8.300
84 H TYR 11 H TYR 11 -31.680 -4.181 3.131
85 HA TYR 11 HA TYR 11 -31.319 -1.530 3.791
86 1HB TYR 11 2HB TYR 11 -30.420 -2.764 1.758
87 2HB TYR 11 1HB TYR 11 -31.980 -2.490 0.995
88 HD1 TYR 11 HD2 TYR 11 -28.940 -0.844 2.287
89 HD2 TYR 11 HD1 TYR 11 -32.542 -0.356 0.076
90 HE1 TYR 11 HE2 TYR 11 -28.162 1.356 1.515
91 HE2 TYR 11 HE1 TYR 11 -31.774 1.846 -0.703
92 HH TYR 11 HH TYR 11 -29.104 3.450 0.661
93 HA PRO 12 HA PRO 12 -35.425 0.161 3.998
94 1HB PRO 12 2HB PRO 12 -34.918 2.712 3.023
95 2HB PRO 12 1HB PRO 12 -34.692 2.201 4.698
96 1HG PRO 12 2HG PRO 12 -32.682 2.450 2.508
97 2HG PRO 12 1HG PRO 12 -32.530 2.861 4.225
98 1HD PRO 12 2HD PRO 12 -31.457 0.629 3.223
99 2HD PRO 12 1HD PRO 12 -32.165 0.655 4.847
100 H VAL 13 H VAL 13 -36.354 -1.138 2.404
101 HA VAL 13 HA VAL 13 -36.079 -0.924 -0.336
102 HB VAL 13 HB VAL 13 -38.662 -1.599 1.064
103 1HG1 VAL 13 1HG1 VAL 13 -37.544 -2.148 -1.663
104 2HG1 VAL 13 3HG1 VAL 13 -38.811 -3.157 -0.966
105 3HG1 VAL 13 2HG1 VAL 13 -39.096 -1.436 -1.224
106 1HG2 VAL 13 3HG2 VAL 13 -36.496 -2.814 1.832
107 2HG2 VAL 13 2HG2 VAL 13 -37.928 -3.765 1.445
108 3HG2 VAL 13 1HG2 VAL 13 -36.613 -3.635 0.276
109 H SER 14 H SER 14 -36.173 0.911 -1.385
110 HA SER 14 HA SER 14 -38.592 2.235 -1.896
111 1HB SER 14 2HB SER 14 -37.794 4.505 -0.911
112 2HB SER 14 1HB SER 14 -38.534 3.333 0.179
113 HG SER 14 HG SER 14 -36.724 3.863 1.223
114 H LYS 15 H LYS 15 -35.591 4.005 -1.466
115 HA LYS 15 HA LYS 15 -35.475 4.794 -4.184
116 1HB LYS 15 2HB LYS 15 -33.344 4.871 -2.037
117 2HB LYS 15 1HB LYS 15 -33.245 5.699 -3.584
118 1HG LYS 15 2HG LYS 15 -35.621 6.251 -1.896
119 2HG LYS 15 1HG LYS 15 -34.072 6.910 -1.364
120 1HD LYS 15 2HD LYS 15 -35.007 7.271 -4.191
121 2HD LYS 15 1HD LYS 15 -35.575 8.339 -2.907
122 1HE LYS 15 2HE LYS 15 -33.148 8.746 -2.340
123 2HE LYS 15 1HE LYS 15 -32.743 7.904 -3.833
124 1HZ LYS 15 3HZ LYS 15 -34.587 10.212 -3.812
125 2HZ LYS 15 2HZ LYS 15 -32.912 10.419 -3.915
126 3HZ LYS 15 1HZ LYS 15 -33.732 9.559 -5.118
127 H CYS 16 H CYS 16 -34.371 3.949 -5.903
128 HA CYS 16 HA CYS 16 -32.242 2.085 -5.646
129 1HB CYS 16 2HB CYS 16 -35.012 1.033 -6.094
130 2HB CYS 16 1HB CYS 16 -33.647 0.220 -6.848
131 H GLN 17 H GLN 17 -34.982 2.505 -7.897
132 HA GLN 17 HA GLN 17 -34.015 2.085 -10.298
133 1HB GLN 17 2HB GLN 17 -35.581 4.473 -9.375
134 2HB GLN 17 1HB GLN 17 -35.152 4.287 -11.068
135 1HG GLN 17 2HG GLN 17 -36.289 1.839 -10.058
136 2HG GLN 17 1HG GLN 17 -37.370 3.191 -9.736
137 1HE2 GLN 17 2HE2 GLN 17 -36.628 1.978 -13.563
138 2HE2 GLN 17 1HE2 GLN 17 -35.579 1.524 -12.267
139 H LEU 18 H LEU 18 -33.032 4.863 -8.359
140 HA LEU 18 HA LEU 18 -31.408 6.038 -10.376
141 1HB LEU 18 2HB LEU 18 -31.363 6.379 -7.380
142 2HB LEU 18 1HB LEU 18 -30.469 7.375 -8.512
143 HG LEU 18 HG LEU 18 -33.220 7.370 -9.314
144 1HD1 LEU 18 1HD1 LEU 18 -33.605 6.750 -6.914
145 2HD1 LEU 18 3HD1 LEU 18 -32.882 8.297 -6.472
146 3HD1 LEU 18 2HD1 LEU 18 -34.360 8.256 -7.434
147 1HD2 LEU 18 1HD2 LEU 18 -31.555 9.120 -9.789
148 2HD2 LEU 18 3HD2 LEU 18 -33.023 9.767 -9.054
149 3HD2 LEU 18 2HD2 LEU 18 -31.563 9.569 -8.084
150 H ALA 19 H ALA 19 -29.449 6.035 -7.746
151 HA ALA 19 HA ALA 19 -28.070 3.601 -7.812
152 1HB ALA 19 1HB ALA 19 -27.655 4.508 -10.193
153 2HB ALA 19 3HB ALA 19 -26.568 5.641 -9.393
154 3HB ALA 19 2HB ALA 19 -26.282 3.904 -9.270
155 H ASN 20 H ASN 20 -28.233 6.911 -7.153
156 HA ASN 20 HA ASN 20 -25.885 7.535 -5.953
157 1HB ASN 20 2HB ASN 20 -27.652 9.154 -6.223
158 2HB ASN 20 1HB ASN 20 -28.671 8.289 -5.075
159 1HD2 ASN 20 2HD2 ASN 20 -25.429 9.560 -3.082
160 2HD2 ASN 20 1HD2 ASN 20 -25.382 8.315 -4.278
161 H GLN 21 H GLN 21 -28.170 7.520 -3.450
162 HA GLN 21 HA GLN 21 -26.847 6.702 -1.370
163 1HB GLN 21 2HB GLN 21 -29.606 5.879 -2.184
164 2HB GLN 21 1HB GLN 21 -28.931 5.291 -0.671
165 1HG GLN 21 2HG GLN 21 -29.326 8.170 -1.456
166 2HG GLN 21 1HG GLN 21 -30.279 7.256 -0.288
167 1HE2 GLN 21 2HE2 GLN 21 -26.662 8.814 0.714
168 2HE2 GLN 21 1HE2 GLN 21 -27.208 8.777 -0.925
169 H CYS 22 H CYS 22 -28.381 4.156 -3.362
170 HA CYS 22 HA CYS 22 -27.254 1.987 -2.076
171 1HB CYS 22 2HB CYS 22 -29.025 2.159 -4.007
172 2HB CYS 22 1HB CYS 22 -27.625 1.888 -5.040
173 H ASN 23 H ASN 23 -26.154 2.889 -5.331
174 HA ASN 23 HA ASN 23 -23.774 1.535 -5.304
175 1HB ASN 23 2HB ASN 23 -24.968 2.967 -7.168
176 2HB ASN 23 1HB ASN 23 -23.858 4.221 -6.618
177 1HD2 ASN 23 2HD2 ASN 23 -22.069 0.808 -7.979
178 2HD2 ASN 23 1HD2 ASN 23 -23.388 0.730 -6.866
179 H TYR 24 H TYR 24 -24.188 4.985 -4.486
180 HA TYR 24 HA TYR 24 -21.581 5.546 -3.767
181 1HB TYR 24 2HB TYR 24 -22.856 7.456 -3.796
182 2HB TYR 24 1HB TYR 24 -24.237 6.675 -3.034
183 HD1 TYR 24 HD1 TYR 24 -20.681 7.311 -2.055
184 HD2 TYR 24 HD2 TYR 24 -24.794 7.638 -1.019
185 HE1 TYR 24 HE1 TYR 24 -20.053 8.305 0.103
186 HE2 TYR 24 HE2 TYR 24 -24.178 8.633 1.138
187 HH TYR 24 HH TYR 24 -21.299 8.422 2.508
188 H ASP 25 H ASP 25 -24.216 4.547 -1.566
189 HA ASP 25 HA ASP 25 -22.765 4.385 0.767
190 1HB ASP 25 2HB ASP 25 -25.076 2.689 -0.176
191 2HB ASP 25 1HB ASP 25 -24.422 2.601 1.456
192 H CYS 26 H CYS 26 -23.321 1.674 -1.504
193 HA CYS 26 HA CYS 26 -21.746 -0.149 -0.133
194 1HB CYS 26 2HB CYS 26 -22.332 0.129 -3.080
195 2HB CYS 26 1HB CYS 26 -21.373 -1.203 -2.441
196 H LYS 27 H LYS 27 -20.845 2.172 -2.629
197 HA LYS 27 HA LYS 27 -18.134 1.508 -2.825
198 1HB LYS 27 2HB LYS 27 -19.898 3.429 -3.932
199 2HB LYS 27 1HB LYS 27 -18.527 4.323 -3.302
200 1HG LYS 27 2HG LYS 27 -17.033 3.301 -4.744
201 2HG LYS 27 1HG LYS 27 -18.092 1.919 -5.032
202 1HD LYS 27 2HD LYS 27 -19.358 3.032 -6.576
203 2HD LYS 27 1HD LYS 27 -19.065 4.609 -5.843
204 1HE LYS 27 2HE LYS 27 -17.984 4.165 -8.104
205 2HE LYS 27 1HE LYS 27 -16.941 4.792 -6.827
206 1HZ LYS 27 3HZ LYS 27 -16.185 2.518 -6.410
207 2HZ LYS 27 2HZ LYS 27 -17.146 1.955 -7.683
208 3HZ LYS 27 1HZ LYS 27 -15.857 3.002 -7.998
209 H LEU 28 H LEU 28 -19.412 2.219 0.006
210 HA LEU 28 HA LEU 28 -16.935 3.201 1.062
211 1HB LEU 28 2HB LEU 28 -17.787 5.299 0.258
212 2HB LEU 28 1HB LEU 28 -19.327 5.030 1.052
213 HG LEU 28 HG LEU 28 -16.948 5.036 2.821
214 1HD1 LEU 28 2HD1 LEU 28 -16.397 6.861 1.287
215 2HD1 LEU 28 1HD1 LEU 28 -17.975 7.590 1.591
216 3HD1 LEU 28 3HD1 LEU 28 -16.798 7.457 2.898
217 1HD2 LEU 28 2HD2 LEU 28 -19.721 6.210 2.965
218 2HD2 LEU 28 1HD2 LEU 28 -19.121 4.775 3.797
219 3HD2 LEU 28 3HD2 LEU 28 -18.507 6.369 4.233
220 H ASP 29 H ASP 29 -20.411 2.867 1.775
221 HA ASP 29 HA ASP 29 -20.061 2.502 4.563
222 1HB ASP 29 2HB ASP 29 -22.319 1.744 2.701
223 2HB ASP 29 1HB ASP 29 -22.393 1.531 4.448
224 H LYS 30 H LYS 30 -19.317 0.574 1.943
225 HA LYS 30 HA LYS 30 -18.869 -1.735 3.675
226 1HB LYS 30 2HB LYS 30 -20.318 -1.828 1.025
227 2HB LYS 30 1HB LYS 30 -19.665 -3.248 1.828
228 1HG LYS 30 2HG LYS 30 -21.629 -1.434 3.185
229 2HG LYS 30 1HG LYS 30 -22.143 -2.751 2.128
230 1HD LYS 30 2HD LYS 30 -20.793 -4.307 3.548
231 2HD LYS 30 1HD LYS 30 -20.517 -2.965 4.659
232 1HE LYS 30 2HE LYS 30 -23.305 -3.688 3.861
233 2HE LYS 30 1HE LYS 30 -22.469 -4.641 5.086
234 1HZ LYS 30 2HZ LYS 30 -22.297 -1.790 5.488
235 2HZ LYS 30 1HZ LYS 30 -23.874 -2.398 5.573
236 3HZ LYS 30 3HZ LYS 30 -22.672 -3.018 6.589
237 H HIS 31 H HIS 31 -17.608 0.509 1.789
238 HA HIS 31 HA HIS 31 -15.839 0.709 0.349
239 1HB HIS 31 2HB HIS 31 -13.888 -0.897 1.304
240 2HB HIS 31 1HB HIS 31 -14.378 0.596 2.091
241 HD1 HIS 31 HD1 HIS 31 -14.547 -3.115 2.447
242 HD2 HIS 31 HD2 HIS 31 -15.743 0.284 4.517
243 HE1 HIS 31 HE1 HIS 31 -15.231 -3.922 4.728
244 HE2 HIS 31 HE2 HIS 31 -16.016 -1.858 5.940
245 H ALA 32 H ALA 32 -17.687 -0.877 -0.845
246 HA ALA 32 HA ALA 32 -16.388 -3.299 -1.796
247 1HB ALA 32 2HB ALA 32 -18.826 -3.229 -1.310
248 2HB ALA 32 1HB ALA 32 -19.021 -2.112 -2.660
249 3HB ALA 32 3HB ALA 32 -18.445 -3.753 -2.950
250 H ARG 33 H ARG 33 -17.013 -3.516 -4.383
251 HA ARG 33 HA ARG 33 -15.328 -1.485 -5.628
252 1HB ARG 33 2HB ARG 33 -15.474 -4.233 -5.891
253 2HB ARG 33 1HB ARG 33 -16.307 -3.674 -7.331
254 1HG ARG 33 2HG ARG 33 -14.191 -3.732 -8.146
255 2HG ARG 33 1HG ARG 33 -14.170 -2.098 -7.483
256 1HD ARG 33 2HD ARG 33 -13.330 -3.253 -5.322
257 2HD ARG 33 1HD ARG 33 -12.948 -4.603 -6.388
258 HE ARG 33 HE ARG 33 -11.866 -2.287 -7.507
259 1HH1 ARG 33 1HH2 ARG 33 -11.462 -4.298 -4.695
260 2HH1 ARG 33 2HH2 ARG 33 -9.777 -3.937 -4.517
261 1HH2 ARG 33 2HH1 ARG 33 -9.645 -1.804 -7.282
262 2HH2 ARG 33 1HH1 ARG 33 -8.745 -2.519 -5.987
263 H SER 34 H SER 34 -18.582 -2.528 -5.409
264 HA SER 34 HA SER 34 -19.655 -0.246 -6.616
265 1HB SER 34 2HB SER 34 -20.046 -0.779 -8.792
266 2HB SER 34 1HB SER 34 -18.743 -1.947 -8.566
267 HG SER 34 HG SER 34 -20.839 -2.730 -9.436
268 H GLY 35 H GLY 35 -22.115 -1.134 -7.481
269 1HA GLY 35 2HA GLY 35 -23.362 -3.195 -6.165
270 2HA GLY 35 1HA GLY 35 -23.309 -1.891 -4.989
271 H GLU 36 H GLU 36 -25.709 -2.813 -5.681
272 HA GLU 36 HA GLU 36 -27.093 -0.543 -6.530
273 1HB GLU 36 2HB GLU 36 -26.059 -2.053 -8.700
274 2HB GLU 36 1HB GLU 36 -27.794 -2.342 -8.677
275 1HG GLU 36 2HG GLU 36 -26.631 0.424 -8.557
276 2HG GLU 36 1HG GLU 36 -26.940 -0.407 -10.082
277 H CYS 37 H CYS 37 -29.470 -1.303 -7.266
278 HA CYS 37 HA CYS 37 -30.316 -3.100 -5.143
279 1HB CYS 37 2HB CYS 37 -31.759 -1.201 -6.971
280 2HB CYS 37 1HB CYS 37 -32.638 -2.391 -6.018
281 H PHE 38 H PHE 38 -29.654 -5.106 -5.937
282 HA PHE 38 HA PHE 38 -30.702 -5.994 -8.508
283 1HB PHE 38 2HB PHE 38 -28.745 -7.137 -6.542
284 2HB PHE 38 1HB PHE 38 -29.460 -8.162 -7.778
285 HD1 PHE 38 HD2 PHE 38 -27.369 -5.176 -7.209
286 HD2 PHE 38 HD1 PHE 38 -28.728 -8.075 -10.013
287 HE1 PHE 38 HE2 PHE 38 -25.672 -4.410 -8.818
288 HE2 PHE 38 HE1 PHE 38 -27.034 -7.316 -11.626
289 HZ PHE 38 HZ PHE 38 -25.505 -5.481 -11.031
290 H TYR 39 H TYR 39 -31.852 -8.054 -8.678
291 HA TYR 39 HA TYR 39 -33.911 -8.248 -6.657
292 1HB TYR 39 2HB TYR 39 -33.536 -9.705 -9.276
293 2HB TYR 39 1HB TYR 39 -34.940 -9.877 -8.228
294 HD1 TYR 39 HD1 TYR 39 -32.974 -7.119 -9.821
295 HD2 TYR 39 HD2 TYR 39 -36.802 -8.666 -8.803
296 HE1 TYR 39 HE1 TYR 39 -34.037 -5.198 -10.931
297 HE2 TYR 39 HE2 TYR 39 -37.878 -6.751 -9.912
298 HH TYR 39 HH TYR 39 -37.093 -5.082 -11.886
299 H ASP 40 H ASP 40 -34.651 -10.450 -5.948
300 HA ASP 40 HA ASP 40 -32.370 -12.257 -5.470
301 1HB ASP 40 2HB ASP 40 -33.451 -12.656 -3.182
302 2HB ASP 40 1HB ASP 40 -32.586 -11.138 -3.407
303 H GLU 41 H GLU 41 -33.513 -14.264 -4.149
304 HA GLU 41 HA GLU 41 -34.850 -15.692 -6.151
305 1HB GLU 41 2HB GLU 41 -34.807 -17.496 -4.709
306 2HB GLU 41 1HB GLU 41 -33.505 -16.505 -4.064
307 1HG GLU 41 2HG GLU 41 -35.312 -15.542 -2.502
308 2HG GLU 41 1HG GLU 41 -36.244 -16.966 -2.961
309 H LYS 42 H LYS 42 -36.076 -13.187 -4.493
310 HA LYS 42 HA LYS 42 -38.747 -14.320 -4.117
311 1HB LYS 42 2HB LYS 42 -37.276 -12.337 -2.761
312 2HB LYS 42 1HB LYS 42 -38.580 -11.477 -3.565
313 1HG LYS 42 2HG LYS 42 -38.964 -13.873 -1.782
314 2HG LYS 42 1HG LYS 42 -39.116 -12.194 -1.260
315 1HD LYS 42 2HD LYS 42 -40.742 -13.442 -3.477
316 2HD LYS 42 1HD LYS 42 -41.289 -13.291 -1.807
317 1HE LYS 42 2HE LYS 42 -40.556 -10.742 -2.291
318 2HE LYS 42 1HE LYS 42 -41.033 -11.235 -3.915
319 1HZ LYS 42 2HZ LYS 42 -43.101 -12.151 -2.620
320 2HZ LYS 42 1HZ LYS 42 -42.662 -10.966 -1.497
321 3HZ LYS 42 3HZ LYS 42 -43.019 -10.530 -3.092
322 H ARG 43 H ARG 43 -37.423 -11.352 -5.517
323 HA ARG 43 HA ARG 43 -37.805 -11.143 -8.013
324 1HB ARG 43 2HB ARG 43 -40.550 -11.729 -7.062
325 2HB ARG 43 1HB ARG 43 -40.431 -10.370 -8.142
326 1HG ARG 43 2HG ARG 43 -40.912 -12.370 -9.392
327 2HG ARG 43 1HG ARG 43 -39.324 -11.738 -9.819
328 1HD ARG 43 2HD ARG 43 -38.435 -13.427 -8.082
329 2HD ARG 43 1HD ARG 43 -40.023 -14.181 -8.231
330 HE ARG 43 HE ARG 43 -39.531 -14.494 -10.601
331 1HH1 ARG 43 1HH2 ARG 43 -36.832 -13.828 -8.481
332 2HH1 ARG 43 2HH2 ARG 43 -35.682 -14.618 -9.504
333 1HH2 ARG 43 2HH1 ARG 43 -38.013 -15.539 -11.932
334 2HH2 ARG 43 1HH1 ARG 43 -36.348 -15.586 -11.458
335 H ASN 44 H ASN 44 -37.758 -9.772 -5.128
336 HA ASN 44 HA ASN 44 -38.710 -7.126 -5.881
337 1HB ASN 44 2HB ASN 44 -37.267 -7.726 -3.320
338 2HB ASN 44 1HB ASN 44 -38.522 -6.531 -3.632
339 1HD2 ASN 44 2HD2 ASN 44 -40.028 -9.211 -1.646
340 2HD2 ASN 44 1HD2 ASN 44 -38.770 -8.044 -1.453
341 H LEU 45 H LEU 45 -36.550 -6.071 -3.975
342 HA LEU 45 HA LEU 45 -34.173 -6.259 -5.642
343 1HB LEU 45 2HB LEU 45 -34.856 -3.467 -4.992
344 2HB LEU 45 1HB LEU 45 -34.154 -4.146 -6.450
345 HG LEU 45 HG LEU 45 -37.079 -4.451 -5.823
346 1HD1 LEU 45 1HD1 LEU 45 -35.627 -2.099 -6.943
347 2HD1 LEU 45 3HD1 LEU 45 -37.244 -2.493 -7.525
348 3HD1 LEU 45 2HD1 LEU 45 -36.981 -2.156 -5.814
349 1HD2 LEU 45 3HD2 LEU 45 -35.396 -5.443 -7.865
350 2HD2 LEU 45 2HD2 LEU 45 -37.151 -5.544 -7.751
351 3HD2 LEU 45 1HD2 LEU 45 -36.404 -4.195 -8.602
352 H GLN 46 H GLN 46 -32.263 -5.607 -4.616
353 HA GLN 46 HA GLN 46 -32.398 -4.649 -1.874
354 1HB GLN 46 2HB GLN 46 -31.324 -7.360 -2.641
355 2HB GLN 46 1HB GLN 46 -30.803 -6.536 -1.178
356 1HG GLN 46 2HG GLN 46 -32.498 -7.957 -0.467
357 2HG GLN 46 1HG GLN 46 -33.278 -6.381 -0.590
358 1HE2 GLN 46 2HE2 GLN 46 -34.061 -8.985 -3.648
359 2HE2 GLN 46 1HE2 GLN 46 -32.448 -8.769 -3.067
360 H CYS 47 H CYS 47 -30.660 -3.444 -1.319
361 HA CYS 47 HA CYS 47 -28.882 -2.584 -3.338
362 1HB CYS 47 2HB CYS 47 -29.365 -1.978 -0.491
363 2HB CYS 47 1HB CYS 47 -27.715 -1.688 -1.032
364 H ILE 48 H ILE 48 -27.811 -4.447 -4.100
365 HA ILE 48 HA ILE 48 -26.149 -5.945 -2.268
366 HB ILE 48 HB ILE 48 -26.404 -6.214 -5.263
367 1HG1 ILE 48 2HG1 ILE 48 -27.803 -7.565 -2.960
368 2HG1 ILE 48 1HG1 ILE 48 -28.522 -6.729 -4.328
369 1HG2 ILE 48 3HG2 ILE 48 -24.383 -7.223 -3.678
370 2HG2 ILE 48 2HG2 ILE 48 -25.530 -8.555 -3.723
371 3HG2 ILE 48 1HG2 ILE 48 -24.895 -7.889 -5.226
372 1HD1 ILE 48 3HD1 ILE 48 -27.256 -8.659 -5.651
373 2HD1 ILE 48 2HD1 ILE 48 -27.497 -9.486 -4.113
374 3HD1 ILE 48 1HD1 ILE 48 -28.884 -8.853 -4.999
375 H CYS 49 H CYS 49 -24.127 -5.513 -1.793
376 HA CYS 49 HA CYS 49 -22.681 -3.508 -3.359
377 1HB CYS 49 2HB CYS 49 -21.944 -4.823 -0.730
378 2HB CYS 49 1HB CYS 49 -21.095 -3.480 -1.486
379 H ASP 50 H ASP 50 -21.577 -4.295 -5.034
380 HA ASP 50 HA ASP 50 -20.568 -7.022 -4.972
381 1HB ASP 50 2HB ASP 50 -20.500 -5.010 -7.225
382 2HB ASP 50 1HB ASP 50 -20.160 -6.733 -7.347
383 H TYR 51 H TYR 51 -18.559 -7.602 -4.727
384 HA TYR 51 HA TYR 51 -16.500 -5.544 -4.413
385 1HB TYR 51 2HB TYR 51 -16.776 -8.376 -3.476
386 2HB TYR 51 1HB TYR 51 -15.216 -7.568 -3.453
387 HD1 TYR 51 HD2 TYR 51 -18.732 -6.785 -2.423
388 HD2 TYR 51 HD1 TYR 51 -14.599 -6.701 -1.417
389 HE1 TYR 51 HE2 TYR 51 -19.289 -5.798 -0.241
390 HE2 TYR 51 HE1 TYR 51 -15.145 -5.716 0.769
391 HH TYR 51 HH TYR 51 -17.161 -5.671 2.316
392 H CYS 52 H CYS 52 -17.191 -8.600 -6.043
393 HA CYS 52 HA CYS 52 -14.831 -8.230 -7.764
394 1HB CYS 52 2HB CYS 52 -16.351 -10.778 -7.870
395 2HB CYS 52 1HB CYS 52 -14.613 -10.497 -7.884
396 H GLU 53 H GLU 53 -16.808 -6.540 -8.445
397 HA GLU 53 HA GLU 53 -18.645 -7.660 -10.328
398 1HB GLU 53 2HB GLU 53 -18.888 -5.460 -9.031
399 2HB GLU 53 1HB GLU 53 -17.799 -4.771 -10.226
400 1HG GLU 53 2HG GLU 53 -19.781 -4.247 -11.199
401 2HG GLU 53 1HG GLU 53 -19.545 -5.847 -11.898
402 H TYR 54 HN TYR 54 -17.523 -8.813 -11.868
403 HA TYR 54 HA TYR 54 -16.244 -7.214 -13.922
404 1HB TYR 54 2HB TYR 54 -14.804 -9.441 -12.477
405 2HB TYR 54 1HB TYR 54 -14.283 -8.788 -14.027
406 HD1 TYR 54 HD1 TYR 54 -14.045 -6.143 -14.055
407 HD2 TYR 54 HD2 TYR 54 -13.855 -8.564 -10.563
408 HE1 TYR 54 HE1 TYR 54 -12.816 -4.363 -12.897
409 HE2 TYR 54 HE2 TYR 54 -12.620 -6.788 -9.393
410 HH TYR 54 HH TYR 54 -12.383 -3.627 -10.578
No H/Q in entry = 410
Start of MODEL 30
1 HN PCA 1 HN PCA 1 -10.598 -15.459 -5.710
2 HA PCA 1 HA PCA 1 -10.762 -17.995 -5.370
3 1HB PCA 1 1HB PCA 1 -8.889 -19.017 -4.614
4 2HB PCA 1 2HB PCA 1 -8.903 -18.037 -3.130
5 1HG PCA 1 1HG PCA 1 -7.316 -17.670 -5.552
6 2HG PCA 1 2HG PCA 1 -7.214 -16.784 -4.019
7 H ASP 2 H ASP 2 -11.874 -15.423 -4.358
8 HA ASP 2 HA ASP 2 -13.292 -16.522 -2.095
9 1HB ASP 2 2HB ASP 2 -12.814 -14.330 -0.781
10 2HB ASP 2 1HB ASP 2 -11.610 -15.617 -0.756
11 H LYS 3 H LYS 3 -15.221 -15.379 -1.598
12 HA LYS 3 HA LYS 3 -16.450 -14.145 -3.834
13 1HB LYS 3 2HB LYS 3 -17.346 -14.356 -0.956
14 2HB LYS 3 1HB LYS 3 -18.358 -13.771 -2.271
15 1HG LYS 3 2HG LYS 3 -18.180 -15.936 -3.382
16 2HG LYS 3 1HG LYS 3 -17.149 -16.523 -2.075
17 1HD LYS 3 2HD LYS 3 -18.960 -16.237 -0.484
18 2HD LYS 3 1HD LYS 3 -19.991 -15.560 -1.748
19 1HE LYS 3 2HE LYS 3 -20.399 -17.983 -1.189
20 2HE LYS 3 1HE LYS 3 -20.103 -17.631 -2.891
21 1HZ LYS 3 1HZ LYS 3 -17.800 -18.333 -2.584
22 2HZ LYS 3 3HZ LYS 3 -18.115 -18.704 -0.964
23 3HZ LYS 3 2HZ LYS 3 -18.878 -19.577 -2.194
24 H CYS 4 H CYS 4 -17.578 -12.017 -3.726
25 HA CYS 4 HA CYS 4 -16.354 -10.019 -2.030
26 1HB CYS 4 2HB CYS 4 -15.716 -10.320 -4.919
27 2HB CYS 4 1HB CYS 4 -15.940 -8.687 -4.314
28 H LYS 5 H LYS 5 -18.974 -10.817 -2.019
29 HA LYS 5 HA LYS 5 -20.295 -8.363 -2.857
30 1HB LYS 5 2HB LYS 5 -22.271 -10.034 -3.602
31 2HB LYS 5 1HB LYS 5 -21.090 -9.387 -4.721
32 1HG LYS 5 2HG LYS 5 -21.020 -11.583 -5.304
33 2HG LYS 5 1HG LYS 5 -19.767 -11.585 -4.069
34 1HD LYS 5 2HD LYS 5 -21.218 -13.468 -3.712
35 2HD LYS 5 1HD LYS 5 -21.471 -12.303 -2.411
36 1HE LYS 5 2HE LYS 5 -23.493 -13.442 -3.739
37 2HE LYS 5 1HE LYS 5 -23.588 -11.810 -3.082
38 1HZ LYS 5 3HZ LYS 5 -22.732 -12.397 -5.860
39 2HZ LYS 5 2HZ LYS 5 -24.332 -12.052 -5.435
40 3HZ LYS 5 1HZ LYS 5 -23.125 -10.890 -5.198
41 H LYS 6 H LYS 6 -21.902 -7.712 -1.501
42 HA LYS 6 HA LYS 6 -22.917 -9.593 0.497
43 1HB LYS 6 2HB LYS 6 -21.978 -6.910 1.450
44 2HB LYS 6 1HB LYS 6 -22.269 -8.374 2.375
45 1HG LYS 6 2HG LYS 6 -20.026 -8.229 0.395
46 2HG LYS 6 1HG LYS 6 -19.855 -7.585 2.025
47 1HD LYS 6 2HD LYS 6 -20.186 -9.696 3.010
48 2HD LYS 6 1HD LYS 6 -20.809 -10.388 1.511
49 1HE LYS 6 2HE LYS 6 -18.713 -10.587 0.577
50 2HE LYS 6 1HE LYS 6 -18.033 -9.300 1.573
51 1HZ LYS 6 3HZ LYS 6 -18.503 -10.961 3.485
52 2HZ LYS 6 2HZ LYS 6 -18.507 -12.120 2.254
53 3HZ LYS 6 1HZ LYS 6 -17.131 -11.171 2.517
54 H VAL 7 H VAL 7 -25.057 -9.458 0.368
55 HA VAL 7 HA VAL 7 -26.429 -7.253 -0.756
56 HB VAL 7 HB VAL 7 -28.439 -8.360 -0.334
57 1HG1 VAL 7 3HG1 VAL 7 -26.281 -10.433 -0.609
58 2HG1 VAL 7 2HG1 VAL 7 -28.001 -10.753 -0.838
59 3HG1 VAL 7 1HG1 VAL 7 -27.166 -9.616 -1.898
60 1HG2 VAL 7 1HG2 VAL 7 -27.017 -9.612 1.987
61 2HG2 VAL 7 3HG2 VAL 7 -28.510 -8.673 1.968
62 3HG2 VAL 7 2HG2 VAL 7 -28.495 -10.319 1.333
63 H TYR 8 H TYR 8 -27.124 -5.420 0.129
64 HA TYR 8 HA TYR 8 -26.688 -4.997 2.967
65 1HB TYR 8 2HB TYR 8 -26.274 -3.328 0.939
66 2HB TYR 8 1HB TYR 8 -27.960 -2.927 1.232
67 HD1 TYR 8 HD1 TYR 8 -28.209 -3.037 4.122
68 HD2 TYR 8 HD2 TYR 8 -25.000 -1.575 1.739
69 HE1 TYR 8 HE1 TYR 8 -27.521 -1.560 5.963
70 HE2 TYR 8 HE2 TYR 8 -24.303 -0.096 3.575
71 HH TYR 8 HH TYR 8 -24.642 0.498 5.692
72 H GLU 9 H GLU 9 -28.294 -6.528 3.656
73 HA GLU 9 HA GLU 9 -30.972 -6.441 2.956
74 1HB GLU 9 2HB GLU 9 -31.156 -7.310 5.509
75 2HB GLU 9 1HB GLU 9 -30.640 -8.328 4.174
76 1HG GLU 9 2HG GLU 9 -28.322 -7.931 4.714
77 2HG GLU 9 1HG GLU 9 -28.786 -6.807 5.991
78 H ASN 10 H ASN 10 -29.714 -5.305 6.022
79 HA ASN 10 HA ASN 10 -31.869 -3.752 6.789
80 1HB ASN 10 2HB ASN 10 -30.015 -4.299 8.307
81 2HB ASN 10 1HB ASN 10 -28.942 -3.252 7.382
82 1HD2 ASN 10 2HD2 ASN 10 -30.003 -1.318 10.281
83 2HD2 ASN 10 1HD2 ASN 10 -29.061 -2.728 9.951
84 H TYR 11 H TYR 11 -32.643 -2.712 4.938
85 HA TYR 11 HA TYR 11 -31.825 -0.044 4.576
86 1HB TYR 11 2HB TYR 11 -30.016 -1.461 3.332
87 2HB TYR 11 1HB TYR 11 -31.265 -1.656 2.110
88 HD1 TYR 11 HD1 TYR 11 -32.492 0.754 1.598
89 HD2 TYR 11 HD2 TYR 11 -28.475 0.177 2.879
90 HE1 TYR 11 HE1 TYR 11 -31.871 2.920 0.615
91 HE2 TYR 11 HE2 TYR 11 -27.845 2.341 1.900
92 HH TYR 11 HH TYR 11 -29.143 3.834 -0.246
93 HA PRO 12 HA PRO 12 -36.272 -0.810 3.604
94 1HB PRO 12 2HB PRO 12 -35.968 2.163 3.416
95 2HB PRO 12 1HB PRO 12 -37.264 1.210 4.149
96 1HG PRO 12 2HG PRO 12 -35.411 2.354 5.669
97 2HG PRO 12 1HG PRO 12 -36.013 0.730 6.046
98 1HD PRO 12 2HD PRO 12 -33.414 1.563 4.870
99 2HD PRO 12 1HD PRO 12 -33.790 0.178 5.914
100 H VAL 13 H VAL 13 -35.275 -1.738 1.583
101 HA VAL 13 HA VAL 13 -34.416 -1.110 -0.681
102 HB VAL 13 HB VAL 13 -37.347 -1.808 -0.743
103 1HG1 VAL 13 1HG1 VAL 13 -35.041 -2.345 -2.605
104 2HG1 VAL 13 3HG1 VAL 13 -36.614 -3.132 -2.738
105 3HG1 VAL 13 2HG1 VAL 13 -36.483 -1.383 -2.924
106 1HG2 VAL 13 2HG2 VAL 13 -36.143 -3.199 0.902
107 2HG2 VAL 13 1HG2 VAL 13 -36.713 -4.127 -0.484
108 3HG2 VAL 13 3HG2 VAL 13 -35.011 -3.678 -0.363
109 H SER 14 H SER 14 -37.700 0.147 -0.141
110 HA SER 14 HA SER 14 -38.807 1.765 -1.396
111 1HB SER 14 2HB SER 14 -38.246 3.919 -0.487
112 2HB SER 14 1HB SER 14 -37.974 2.721 0.777
113 HG SER 14 HG SER 14 -36.278 4.426 0.250
114 H LYS 15 H LYS 15 -35.819 3.532 -1.530
115 HA LYS 15 HA LYS 15 -36.134 4.098 -4.291
116 1HB LYS 15 2HB LYS 15 -34.084 4.720 -2.217
117 2HB LYS 15 1HB LYS 15 -33.654 4.949 -3.906
118 1HG LYS 15 2HG LYS 15 -34.502 6.996 -2.829
119 2HG LYS 15 1HG LYS 15 -35.467 6.491 -4.217
120 1HD LYS 15 2HD LYS 15 -37.175 5.610 -2.806
121 2HD LYS 15 1HD LYS 15 -36.169 5.805 -1.370
122 1HE LYS 15 2HE LYS 15 -36.819 8.195 -3.028
123 2HE LYS 15 1HE LYS 15 -38.049 7.544 -1.945
124 1HZ LYS 15 3HZ LYS 15 -36.477 7.769 -0.110
125 2HZ LYS 15 2HZ LYS 15 -35.326 8.432 -1.157
126 3HZ LYS 15 1HZ LYS 15 -36.770 9.259 -0.856
127 H CYS 16 H CYS 16 -34.638 3.639 -6.001
128 HA CYS 16 HA CYS 16 -32.619 1.680 -5.826
129 1HB CYS 16 2HB CYS 16 -35.373 0.735 -6.429
130 2HB CYS 16 1HB CYS 16 -34.072 0.068 -7.410
131 H GLN 17 H GLN 17 -35.040 3.295 -7.796
132 HA GLN 17 HA GLN 17 -33.487 3.072 -10.214
133 1HB GLN 17 2HB GLN 17 -36.172 3.727 -9.534
134 2HB GLN 17 1HB GLN 17 -35.522 5.105 -10.401
135 1HG GLN 17 2HG GLN 17 -36.451 3.790 -12.062
136 2HG GLN 17 1HG GLN 17 -34.733 3.401 -12.138
137 1HE2 GLN 17 1HE2 GLN 17 -37.003 1.836 -13.038
138 2HE2 GLN 17 2HE2 GLN 17 -36.932 0.335 -12.185
139 H LEU 18 H LEU 18 -31.793 4.047 -8.460
140 HA LEU 18 HA LEU 18 -31.104 6.643 -9.486
141 1HB LEU 18 2HB LEU 18 -32.231 6.295 -6.753
142 2HB LEU 18 1HB LEU 18 -30.844 7.353 -6.897
143 HG LEU 18 HG LEU 18 -33.479 7.691 -8.326
144 1HD1 LEU 18 1HD1 LEU 18 -33.580 8.160 -5.932
145 2HD1 LEU 18 3HD1 LEU 18 -32.220 9.272 -6.094
146 3HD1 LEU 18 2HD1 LEU 18 -33.751 9.629 -6.893
147 1HD2 LEU 18 1HD2 LEU 18 -30.838 9.031 -8.595
148 2HD2 LEU 18 3HD2 LEU 18 -32.060 8.687 -9.818
149 3HD2 LEU 18 2HD2 LEU 18 -32.289 10.027 -8.697
150 H ALA 19 H ALA 19 -29.167 5.758 -10.131
151 HA ALA 19 HA ALA 19 -27.526 4.002 -8.739
152 1HB ALA 19 3HB ALA 19 -27.012 6.060 -10.847
153 2HB ALA 19 2HB ALA 19 -25.667 5.186 -10.114
154 3HB ALA 19 1HB ALA 19 -26.939 4.301 -10.956
155 H ASN 20 H ASN 20 -27.752 4.782 -6.530
156 HA ASN 20 HA ASN 20 -25.477 6.333 -5.750
157 1HB ASN 20 2HB ASN 20 -28.077 7.627 -5.973
158 2HB ASN 20 1HB ASN 20 -27.457 7.723 -4.329
159 1HD2 ASN 20 2HD2 ASN 20 -24.544 9.596 -5.330
160 2HD2 ASN 20 1HD2 ASN 20 -24.974 8.235 -4.356
161 H GLN 21 H GLN 21 -28.585 5.952 -4.101
162 HA GLN 21 HA GLN 21 -28.056 5.311 -1.644
163 1HB GLN 21 2HB GLN 21 -29.920 3.955 -3.535
164 2HB GLN 21 1HB GLN 21 -29.724 3.254 -1.935
165 1HG GLN 21 2HG GLN 21 -31.597 4.704 -1.862
166 2HG GLN 21 1HG GLN 21 -30.288 5.482 -0.969
167 1HE2 GLN 21 2HE2 GLN 21 -29.933 8.175 -3.179
168 2HE2 GLN 21 1HE2 GLN 21 -29.187 7.229 -1.941
169 H CYS 22 H CYS 22 -28.421 2.315 -3.452
170 HA CYS 22 HA CYS 22 -26.728 0.825 -1.815
171 1HB CYS 22 2HB CYS 22 -27.057 0.070 -4.688
172 2HB CYS 22 1HB CYS 22 -27.117 -0.947 -3.256
173 H ASN 23 H ASN 23 -26.081 2.152 -5.051
174 HA ASN 23 HA ASN 23 -23.478 1.284 -5.350
175 1HB ASN 23 2HB ASN 23 -25.192 2.770 -6.860
176 2HB ASN 23 1HB ASN 23 -24.022 4.002 -6.392
177 1HD2 ASN 23 2HD2 ASN 23 -21.419 1.647 -7.832
178 2HD2 ASN 23 1HD2 ASN 23 -21.879 1.980 -6.201
179 H TYR 24 H TYR 24 -24.169 4.698 -4.667
180 HA TYR 24 HA TYR 24 -21.675 5.428 -3.813
181 1HB TYR 24 2HB TYR 24 -22.990 7.273 -4.071
182 2HB TYR 24 1HB TYR 24 -24.411 6.491 -3.396
183 HD1 TYR 24 HD2 TYR 24 -21.016 7.444 -2.141
184 HD2 TYR 24 HD1 TYR 24 -25.223 7.515 -1.511
185 HE1 TYR 24 HE2 TYR 24 -20.673 8.660 -0.032
186 HE2 TYR 24 HE1 TYR 24 -24.891 8.731 0.600
187 HH TYR 24 HH TYR 24 -21.678 9.307 1.907
188 H ASP 25 H ASP 25 -24.363 4.530 -1.609
189 HA ASP 25 HA ASP 25 -22.946 4.670 0.757
190 1HB ASP 25 2HB ASP 25 -25.091 2.637 0.116
191 2HB ASP 25 1HB ASP 25 -24.606 3.173 1.721
192 H CYS 26 H CYS 26 -23.440 1.700 -1.185
193 HA CYS 26 HA CYS 26 -21.885 0.005 0.335
194 1HB CYS 26 2HB CYS 26 -22.244 0.107 -2.664
195 2HB CYS 26 1HB CYS 26 -21.427 -1.212 -1.835
196 H LYS 27 H LYS 27 -20.822 1.994 -2.418
197 HA LYS 27 HA LYS 27 -18.102 1.352 -2.216
198 1HB LYS 27 2HB LYS 27 -19.706 2.921 -3.900
199 2HB LYS 27 1HB LYS 27 -18.499 4.029 -3.265
200 1HG LYS 27 2HG LYS 27 -16.716 2.685 -4.102
201 2HG LYS 27 1HG LYS 27 -17.827 1.383 -4.530
202 1HD LYS 27 2HD LYS 27 -18.705 2.554 -6.335
203 2HD LYS 27 1HD LYS 27 -18.165 4.114 -5.711
204 1HE LYS 27 2HE LYS 27 -16.012 3.818 -6.454
205 2HE LYS 27 1HE LYS 27 -16.122 2.060 -6.405
206 1HZ LYS 27 3HZ LYS 27 -17.689 2.247 -8.326
207 2HZ LYS 27 2HZ LYS 27 -17.278 3.884 -8.436
208 3HZ LYS 27 1HZ LYS 27 -16.095 2.697 -8.667
209 H LEU 28 H LEU 28 -19.530 2.423 0.351
210 HA LEU 28 HA LEU 28 -17.193 3.778 1.319
211 1HB LEU 28 2HB LEU 28 -18.489 5.553 0.082
212 2HB LEU 28 1HB LEU 28 -19.735 5.387 1.304
213 HG LEU 28 HG LEU 28 -16.939 5.956 2.194
214 1HD1 LEU 28 2HD1 LEU 28 -17.375 7.532 0.338
215 2HD1 LEU 28 1HD1 LEU 28 -18.815 8.090 1.191
216 3HD1 LEU 28 3HD1 LEU 28 -17.220 8.326 1.904
217 1HD2 LEU 28 3HD2 LEU 28 -19.699 6.656 3.186
218 2HD2 LEU 28 2HD2 LEU 28 -18.529 5.559 3.920
219 3HD2 LEU 28 1HD2 LEU 28 -18.213 7.293 3.889
220 H ASP 29 H ASP 29 -20.603 2.983 1.968
221 HA ASP 29 HA ASP 29 -20.385 3.217 4.785
222 1HB ASP 29 2HB ASP 29 -22.376 2.057 2.900
223 2HB ASP 29 1HB ASP 29 -22.447 1.522 4.575
224 H LYS 30 H LYS 30 -19.969 0.513 2.552
225 HA LYS 30 HA LYS 30 -19.000 -1.138 4.802
226 1HB LYS 30 2HB LYS 30 -19.757 -2.284 2.139
227 2HB LYS 30 1HB LYS 30 -19.740 -3.059 3.716
228 1HG LYS 30 2HG LYS 30 -21.684 -1.659 4.362
229 2HG LYS 30 1HG LYS 30 -21.737 -1.047 2.710
230 1HD LYS 30 2HD LYS 30 -23.253 -2.764 2.567
231 2HD LYS 30 1HD LYS 30 -21.773 -3.599 2.096
232 1HE LYS 30 2HE LYS 30 -23.274 -4.772 3.775
233 2HE LYS 30 1HE LYS 30 -21.568 -4.637 4.191
234 1HZ LYS 30 2HZ LYS 30 -23.258 -2.474 5.127
235 2HZ LYS 30 1HZ LYS 30 -23.558 -3.980 5.837
236 3HZ LYS 30 3HZ LYS 30 -22.012 -3.296 5.921
237 H HIS 31 H HIS 31 -17.702 0.900 2.866
238 HA HIS 31 HA HIS 31 -15.743 1.170 1.738
239 1HB HIS 31 2HB HIS 31 -14.724 -1.243 3.227
240 2HB HIS 31 1HB HIS 31 -13.825 0.174 2.696
241 HD1 HIS 31 HD1 HIS 31 -14.599 -1.203 5.694
242 HD2 HIS 31 HD2 HIS 31 -15.450 2.548 4.122
243 HE1 HIS 31 HE1 HIS 31 -14.990 0.286 7.682
244 HE2 HIS 31 HE2 HIS 31 -15.508 2.551 6.708
245 H ALA 32 H ALA 32 -17.601 -0.226 0.264
246 HA ALA 32 HA ALA 32 -16.318 -2.577 -0.853
247 1HB ALA 32 2HB ALA 32 -18.872 -2.118 -0.512
248 2HB ALA 32 1HB ALA 32 -18.726 -1.317 -2.078
249 3HB ALA 32 3HB ALA 32 -18.305 -3.022 -1.916
250 H ARG 33 H ARG 33 -17.283 -2.126 -3.543
251 HA ARG 33 HA ARG 33 -15.676 0.120 -4.501
252 1HB ARG 33 2HB ARG 33 -15.052 -2.750 -4.875
253 2HB ARG 33 1HB ARG 33 -14.902 -1.742 -6.308
254 1HG ARG 33 2HG ARG 33 -13.228 -0.428 -5.355
255 2HG ARG 33 1HG ARG 33 -13.606 -0.973 -3.719
256 1HD ARG 33 2HD ARG 33 -11.566 -2.024 -4.456
257 2HD ARG 33 1HD ARG 33 -12.836 -3.239 -4.337
258 HE ARG 33 HE ARG 33 -12.789 -3.494 -6.637
259 1HH1 ARG 33 1HH2 ARG 33 -10.786 -0.820 -5.662
260 2HH1 ARG 33 2HH2 ARG 33 -10.011 -0.670 -7.204
261 1HH2 ARG 33 2HH1 ARG 33 -11.775 -3.307 -8.670
262 2HH2 ARG 33 1HH1 ARG 33 -10.575 -2.082 -8.916
263 H SER 34 H SER 34 -18.479 -1.588 -4.571
264 HA SER 34 HA SER 34 -19.593 -0.114 -6.686
265 1HB SER 34 2HB SER 34 -20.099 -2.275 -8.095
266 2HB SER 34 1HB SER 34 -18.580 -1.408 -8.322
267 HG SER 34 HG SER 34 -18.325 -3.198 -6.337
268 H GLY 35 H GLY 35 -21.781 -1.320 -7.396
269 1HA GLY 35 2HA GLY 35 -23.154 -3.145 -5.984
270 2HA GLY 35 1HA GLY 35 -23.175 -1.766 -4.893
271 H GLU 36 H GLU 36 -25.545 -2.752 -5.776
272 HA GLU 36 HA GLU 36 -26.797 -0.501 -6.860
273 1HB GLU 36 2HB GLU 36 -25.535 -2.042 -8.839
274 2HB GLU 36 1HB GLU 36 -27.243 -2.430 -8.982
275 1HG GLU 36 2HG GLU 36 -27.726 0.001 -9.111
276 2HG GLU 36 1HG GLU 36 -25.989 0.302 -9.114
277 H CYS 37 H CYS 37 -29.106 -1.123 -7.691
278 HA CYS 37 HA CYS 37 -30.230 -2.867 -5.663
279 1HB CYS 37 2HB CYS 37 -31.210 -0.692 -7.403
280 2HB CYS 37 1HB CYS 37 -32.377 -1.978 -7.112
281 H PHE 38 H PHE 38 -31.092 -4.860 -6.023
282 HA PHE 38 HA PHE 38 -31.622 -5.705 -8.769
283 1HB PHE 38 2HB PHE 38 -29.670 -7.099 -6.937
284 2HB PHE 38 1HB PHE 38 -30.342 -7.832 -8.390
285 HD1 PHE 38 HD1 PHE 38 -30.025 -6.509 -10.589
286 HD2 PHE 38 HD2 PHE 38 -27.721 -5.866 -7.072
287 HE1 PHE 38 HE1 PHE 38 -28.263 -5.450 -11.942
288 HE2 PHE 38 HE2 PHE 38 -25.954 -4.809 -8.416
289 HZ PHE 38 HZ PHE 38 -26.223 -4.598 -10.854
290 H TYR 39 H TYR 39 -33.033 -7.437 -8.974
291 HA TYR 39 HA TYR 39 -34.892 -7.719 -6.827
292 1HB TYR 39 2HB TYR 39 -34.724 -8.890 -9.592
293 2HB TYR 39 1HB TYR 39 -35.998 -9.341 -8.462
294 HD1 TYR 39 HD2 TYR 39 -34.439 -6.368 -10.074
295 HD2 TYR 39 HD1 TYR 39 -37.934 -8.050 -8.325
296 HE1 TYR 39 HE2 TYR 39 -35.723 -4.382 -10.746
297 HE2 TYR 39 HE1 TYR 39 -39.229 -6.068 -8.991
298 HH TYR 39 HH TYR 39 -38.851 -4.214 -11.017
299 H ASP 40 H ASP 40 -35.803 -10.121 -6.611
300 HA ASP 40 HA ASP 40 -33.738 -12.124 -6.399
301 1HB ASP 40 2HB ASP 40 -34.863 -12.160 -3.800
302 2HB ASP 40 1HB ASP 40 -33.207 -11.754 -4.238
303 H GLU 41 H GLU 41 -34.832 -14.090 -5.074
304 HA GLU 41 HA GLU 41 -36.956 -14.956 -6.689
305 1HB GLU 41 2HB GLU 41 -37.184 -16.692 -4.694
306 2HB GLU 41 1HB GLU 41 -35.829 -16.751 -5.814
307 1HG GLU 41 2HG GLU 41 -35.131 -17.018 -3.486
308 2HG GLU 41 1HG GLU 41 -34.421 -15.590 -4.237
309 H LYS 42 H LYS 42 -37.052 -12.610 -4.456
310 HA LYS 42 HA LYS 42 -39.733 -13.257 -3.445
311 1HB LYS 42 2HB LYS 42 -37.730 -11.154 -2.613
312 2HB LYS 42 1HB LYS 42 -39.349 -11.289 -1.941
313 1HG LYS 42 2HG LYS 42 -38.602 -13.750 -1.438
314 2HG LYS 42 1HG LYS 42 -36.983 -13.056 -1.565
315 1HD LYS 42 2HD LYS 42 -39.192 -12.200 0.304
316 2HD LYS 42 1HD LYS 42 -37.677 -12.995 0.740
317 1HE LYS 42 2HE LYS 42 -38.079 -10.204 -0.307
318 2HE LYS 42 1HE LYS 42 -37.402 -10.697 1.244
319 1HZ LYS 42 2HZ LYS 42 -35.598 -11.802 -0.136
320 2HZ LYS 42 1HZ LYS 42 -36.171 -10.885 -1.436
321 3HZ LYS 42 3HZ LYS 42 -35.574 -10.113 -0.053
322 H ARG 43 H ARG 43 -38.181 -11.466 -5.849
323 HA ARG 43 HA ARG 43 -39.123 -10.194 -7.523
324 1HB ARG 43 2HB ARG 43 -41.347 -11.265 -6.598
325 2HB ARG 43 1HB ARG 43 -41.597 -9.653 -5.942
326 1HG ARG 43 2HG ARG 43 -41.168 -8.804 -8.304
327 2HG ARG 43 1HG ARG 43 -41.351 -10.484 -8.812
328 1HD ARG 43 2HD ARG 43 -43.473 -9.475 -9.067
329 2HD ARG 43 1HD ARG 43 -43.569 -10.479 -7.621
330 HE ARG 43 HE ARG 43 -42.896 -8.026 -6.665
331 1HH1 ARG 43 1HH2 ARG 43 -45.434 -9.217 -8.724
332 2HH1 ARG 43 2HH2 ARG 43 -46.585 -8.023 -8.222
333 1HH2 ARG 43 2HH1 ARG 43 -44.399 -6.443 -5.991
334 2HH2 ARG 43 1HH1 ARG 43 -45.993 -6.438 -6.670
335 H ASN 44 H ASN 44 -38.473 -9.401 -4.385
336 HA ASN 44 HA ASN 44 -38.929 -6.529 -4.717
337 1HB ASN 44 2HB ASN 44 -37.986 -8.146 -2.338
338 2HB ASN 44 1HB ASN 44 -38.167 -6.393 -2.340
339 1HD2 ASN 44 2HD2 ASN 44 -41.343 -6.928 -1.049
340 2HD2 ASN 44 1HD2 ASN 44 -39.740 -6.339 -0.791
341 H LEU 45 H LEU 45 -37.194 -5.013 -4.338
342 HA LEU 45 HA LEU 45 -34.697 -5.965 -5.486
343 1HB LEU 45 2HB LEU 45 -35.591 -3.158 -4.872
344 2HB LEU 45 1HB LEU 45 -34.147 -3.609 -5.761
345 HG LEU 45 HG LEU 45 -35.946 -4.864 -7.288
346 1HD1 LEU 45 1HD1 LEU 45 -37.751 -3.994 -5.688
347 2HD1 LEU 45 3HD1 LEU 45 -37.504 -2.438 -6.481
348 3HD1 LEU 45 2HD1 LEU 45 -38.026 -3.836 -7.423
349 1HD2 LEU 45 1HD2 LEU 45 -35.073 -1.994 -7.356
350 2HD2 LEU 45 3HD2 LEU 45 -34.462 -3.361 -8.287
351 3HD2 LEU 45 2HD2 LEU 45 -36.058 -2.697 -8.640
352 H GLN 46 H GLN 46 -32.637 -5.327 -4.650
353 HA GLN 46 HA GLN 46 -32.537 -4.588 -1.831
354 1HB GLN 46 2HB GLN 46 -31.444 -7.181 -2.927
355 2HB GLN 46 1HB GLN 46 -30.925 -6.494 -1.392
356 1HG GLN 46 2HG GLN 46 -33.266 -6.578 -0.608
357 2HG GLN 46 1HG GLN 46 -33.713 -7.371 -2.118
358 1HE2 GLN 46 2HE2 GLN 46 -31.740 -10.325 -1.252
359 2HE2 GLN 46 1HE2 GLN 46 -31.832 -9.183 -2.546
360 H CYS 47 H CYS 47 -30.656 -3.610 -1.217
361 HA CYS 47 HA CYS 47 -29.026 -2.532 -3.330
362 1HB CYS 47 2HB CYS 47 -29.294 -2.114 -0.383
363 2HB CYS 47 1HB CYS 47 -27.847 -1.525 -1.188
364 H ILE 48 H ILE 48 -27.690 -4.085 -4.191
365 HA ILE 48 HA ILE 48 -26.155 -5.822 -2.454
366 HB ILE 48 HB ILE 48 -26.113 -5.606 -5.462
367 1HG1 ILE 48 2HG1 ILE 48 -27.685 -7.310 -3.539
368 2HG1 ILE 48 1HG1 ILE 48 -28.284 -6.323 -4.866
369 1HG2 ILE 48 1HG2 ILE 48 -24.055 -6.574 -4.537
370 2HG2 ILE 48 3HG2 ILE 48 -25.014 -7.757 -3.647
371 3HG2 ILE 48 2HG2 ILE 48 -24.998 -7.776 -5.412
372 1HD1 ILE 48 1HD1 ILE 48 -27.054 -7.938 -6.400
373 2HD1 ILE 48 3HD1 ILE 48 -26.914 -8.983 -4.985
374 3HD1 ILE 48 2HD1 ILE 48 -28.507 -8.528 -5.591
375 H CYS 49 H CYS 49 -24.159 -5.467 -1.753
376 HA CYS 49 HA CYS 49 -22.662 -3.201 -2.870
377 1HB CYS 49 2HB CYS 49 -22.282 -4.748 -0.297
378 2HB CYS 49 1HB CYS 49 -21.269 -3.406 -0.821
379 H ASP 50 H ASP 50 -21.287 -3.700 -4.435
380 HA ASP 50 HA ASP 50 -19.998 -6.327 -4.482
381 1HB ASP 50 2HB ASP 50 -20.437 -4.167 -6.514
382 2HB ASP 50 1HB ASP 50 -19.149 -5.342 -6.760
383 H TYR 51 H TYR 51 -17.936 -6.653 -4.055
384 HA TYR 51 HA TYR 51 -16.274 -4.342 -3.333
385 1HB TYR 51 2HB TYR 51 -16.243 -7.245 -2.544
386 2HB TYR 51 1HB TYR 51 -14.895 -6.167 -2.186
387 HD1 TYR 51 HD2 TYR 51 -18.580 -6.495 -1.705
388 HD2 TYR 51 HD1 TYR 51 -14.914 -4.930 -0.215
389 HE1 TYR 51 HE2 TYR 51 -19.732 -5.757 0.339
390 HE2 TYR 51 HE1 TYR 51 -16.055 -4.190 1.832
391 HH TYR 51 HH TYR 51 -18.553 -3.558 2.421
392 H CYS 52 H CYS 52 -16.282 -7.285 -5.288
393 HA CYS 52 HA CYS 52 -14.045 -6.212 -6.840
394 1HB CYS 52 2HB CYS 52 -13.937 -9.120 -6.183
395 2HB CYS 52 1HB CYS 52 -12.627 -7.999 -6.540
396 H GLU 53 H GLU 53 -17.014 -7.815 -6.694
397 HA GLU 53 HA GLU 53 -18.399 -8.704 -8.261
398 1HB GLU 53 2HB GLU 53 -17.905 -6.640 -9.489
399 2HB GLU 53 1HB GLU 53 -16.480 -7.391 -10.194
400 1HG GLU 53 2HG GLU 53 -18.586 -7.260 -11.620
401 2HG GLU 53 1HG GLU 53 -17.738 -8.803 -11.547
402 H TYR 54 HN TYR 54 -15.274 -8.958 -9.962
403 HA TYR 54 HA TYR 54 -15.696 -11.480 -11.021
404 1HB TYR 54 2HB TYR 54 -13.457 -9.663 -10.731
405 2HB TYR 54 1HB TYR 54 -12.921 -11.329 -10.549
406 HD1 TYR 54 HD1 TYR 54 -15.563 -9.843 -12.730
407 HD2 TYR 54 HD2 TYR 54 -11.849 -11.908 -12.520
408 HE1 TYR 54 HE1 TYR 54 -15.581 -10.112 -15.175
409 HE2 TYR 54 HE2 TYR 54 -11.856 -12.181 -14.964
410 HH TYR 54 HH TYR 54 -13.662 -12.248 -16.805
No H/Q in entry = 410
Start of MODEL 31
1 HN PCA 1 HN PCA 1 -11.571 -17.626 -3.687
2 HA PCA 1 HA PCA 1 -12.115 -15.200 -3.109
3 1HB PCA 1 1HB PCA 1 -13.271 -14.061 -4.685
4 2HB PCA 1 2HB PCA 1 -14.671 -15.137 -4.472
5 1HG PCA 1 1HG PCA 1 -12.683 -15.153 -6.590
6 2HG PCA 1 2HG PCA 1 -14.110 -16.191 -6.419
7 H ASP 2 H ASP 2 -12.430 -16.025 -1.063
8 HA ASP 2 HA ASP 2 -14.498 -17.810 -0.351
9 1HB ASP 2 2HB ASP 2 -13.799 -17.533 1.867
10 2HB ASP 2 1HB ASP 2 -12.335 -17.217 0.941
11 H LYS 3 H LYS 3 -14.239 -14.283 -0.221
12 HA LYS 3 HA LYS 3 -17.092 -14.033 -0.384
13 1HB LYS 3 2HB LYS 3 -16.300 -14.339 2.133
14 2HB LYS 3 1HB LYS 3 -15.949 -12.621 1.981
15 1HG LYS 3 2HG LYS 3 -18.270 -12.215 1.316
16 2HG LYS 3 1HG LYS 3 -18.612 -13.936 1.498
17 1HD LYS 3 2HD LYS 3 -18.322 -13.863 3.824
18 2HD LYS 3 1HD LYS 3 -17.477 -12.315 3.758
19 1HE LYS 3 2HE LYS 3 -19.498 -11.157 3.226
20 2HE LYS 3 1HE LYS 3 -20.371 -12.672 2.999
21 1HZ LYS 3 1HZ LYS 3 -19.483 -12.936 5.510
22 2HZ LYS 3 3HZ LYS 3 -19.718 -11.262 5.441
23 3HZ LYS 3 2HZ LYS 3 -21.003 -12.310 5.108
24 H CYS 4 H CYS 4 -17.439 -12.442 -1.748
25 HA CYS 4 HA CYS 4 -16.059 -9.922 -1.484
26 1HB CYS 4 2HB CYS 4 -15.075 -11.848 -3.301
27 2HB CYS 4 1HB CYS 4 -15.860 -10.608 -4.272
28 H LYS 5 H LYS 5 -18.788 -11.413 -1.702
29 HA LYS 5 HA LYS 5 -20.129 -9.214 -3.071
30 1HB LYS 5 2HB LYS 5 -20.123 -10.737 -4.860
31 2HB LYS 5 1HB LYS 5 -20.365 -12.122 -3.805
32 1HG LYS 5 2HG LYS 5 -22.540 -10.138 -3.763
33 2HG LYS 5 1HG LYS 5 -22.313 -10.960 -5.307
34 1HD LYS 5 2HD LYS 5 -22.942 -12.992 -4.473
35 2HD LYS 5 1HD LYS 5 -22.341 -12.643 -2.854
36 1HE LYS 5 2HE LYS 5 -24.245 -11.443 -2.268
37 2HE LYS 5 1HE LYS 5 -24.712 -11.182 -3.947
38 1HZ LYS 5 2HZ LYS 5 -24.664 -13.888 -2.762
39 2HZ LYS 5 1HZ LYS 5 -26.018 -12.885 -2.615
40 3HZ LYS 5 3HZ LYS 5 -25.479 -13.359 -4.147
41 H LYS 6 H LYS 6 -21.505 -8.410 -1.582
42 HA LYS 6 HA LYS 6 -23.211 -10.259 -0.131
43 1HB LYS 6 2HB LYS 6 -22.472 -9.870 2.000
44 2HB LYS 6 1HB LYS 6 -20.951 -9.788 1.124
45 1HG LYS 6 2HG LYS 6 -21.240 -7.297 1.047
46 2HG LYS 6 1HG LYS 6 -22.606 -7.497 2.146
47 1HD LYS 6 2HD LYS 6 -20.846 -8.876 3.543
48 2HD LYS 6 1HD LYS 6 -19.691 -7.902 2.631
49 1HE LYS 6 2HE LYS 6 -21.986 -6.730 4.192
50 2HE LYS 6 1HE LYS 6 -20.375 -6.967 4.864
51 1HZ LYS 6 1HZ LYS 6 -20.275 -5.610 2.361
52 2HZ LYS 6 3HZ LYS 6 -21.254 -4.782 3.465
53 3HZ LYS 6 2HZ LYS 6 -19.649 -5.142 3.862
54 H VAL 7 H VAL 7 -25.154 -9.460 0.341
55 HA VAL 7 HA VAL 7 -25.933 -6.976 -0.760
56 HB VAL 7 HB VAL 7 -28.113 -7.507 -0.199
57 1HG1 VAL 7 3HG1 VAL 7 -26.784 -9.347 -1.473
58 2HG1 VAL 7 2HG1 VAL 7 -27.052 -10.293 -0.009
59 3HG1 VAL 7 1HG1 VAL 7 -28.425 -9.675 -0.923
60 1HG2 VAL 7 1HG2 VAL 7 -26.940 -8.852 2.207
61 2HG2 VAL 7 3HG2 VAL 7 -28.154 -7.576 2.124
62 3HG2 VAL 7 2HG2 VAL 7 -28.578 -9.227 1.673
63 H TYR 8 H TYR 8 -26.720 -5.119 0.290
64 HA TYR 8 HA TYR 8 -25.151 -4.260 2.464
65 1HB TYR 8 2HB TYR 8 -26.436 -2.943 0.581
66 2HB TYR 8 1HB TYR 8 -27.724 -2.908 1.774
67 HD1 TYR 8 HD2 TYR 8 -26.130 -2.565 4.286
68 HD2 TYR 8 HD1 TYR 8 -25.736 -0.731 0.466
69 HE1 TYR 8 HE2 TYR 8 -25.091 -0.611 5.341
70 HE2 TYR 8 HE1 TYR 8 -24.689 1.226 1.514
71 HH TYR 8 HH TYR 8 -23.625 1.236 4.755
72 H GLU 9 H GLU 9 -25.874 -6.362 3.623
73 HA GLU 9 HA GLU 9 -27.421 -7.462 5.035
74 1HB GLU 9 2HB GLU 9 -26.589 -5.201 6.807
75 2HB GLU 9 1HB GLU 9 -26.678 -6.921 7.161
76 1HG GLU 9 2HG GLU 9 -24.798 -6.980 5.264
77 2HG GLU 9 1HG GLU 9 -24.520 -5.354 5.886
78 H ASN 10 H ASN 10 -28.276 -5.772 7.392
79 HA ASN 10 HA ASN 10 -31.000 -5.713 6.905
80 1HB ASN 10 2HB ASN 10 -30.813 -4.042 9.021
81 2HB ASN 10 1HB ASN 10 -30.640 -5.789 9.143
82 1HD2 ASN 10 2HD2 ASN 10 -27.502 -3.323 9.806
83 2HD2 ASN 10 1HD2 ASN 10 -29.017 -2.736 9.219
84 H TYR 11 H TYR 11 -29.159 -3.788 5.166
85 HA TYR 11 HA TYR 11 -29.927 -1.166 5.567
86 1HB TYR 11 2HB TYR 11 -28.320 -1.883 3.846
87 2HB TYR 11 1HB TYR 11 -29.634 -2.576 2.905
88 HD1 TYR 11 HD1 TYR 11 -27.997 0.514 4.002
89 HD2 TYR 11 HD2 TYR 11 -31.089 -1.143 1.592
90 HE1 TYR 11 HE1 TYR 11 -28.239 2.667 2.843
91 HE2 TYR 11 HE2 TYR 11 -31.342 1.010 0.430
92 HH TYR 11 HH TYR 11 -29.073 3.490 0.646
93 HA PRO 12 HA PRO 12 -34.348 -0.997 5.158
94 1HB PRO 12 2HB PRO 12 -34.541 1.277 3.516
95 2HB PRO 12 1HB PRO 12 -34.548 1.256 5.277
96 1HG PRO 12 2HG PRO 12 -32.287 1.761 3.403
97 2HG PRO 12 1HG PRO 12 -32.646 2.520 4.966
98 1HD PRO 12 2HD PRO 12 -30.727 0.704 4.758
99 2HD PRO 12 1HD PRO 12 -31.795 0.707 6.172
100 H VAL 13 H VAL 13 -33.733 0.526 2.152
101 HA VAL 13 HA VAL 13 -33.479 -0.589 0.012
102 HB VAL 13 HB VAL 13 -35.551 -2.469 1.135
103 1HG1 VAL 13 1HG1 VAL 13 -34.634 -1.954 -1.646
104 2HG1 VAL 13 3HG1 VAL 13 -35.060 -3.598 -1.172
105 3HG1 VAL 13 2HG1 VAL 13 -36.252 -2.305 -1.036
106 1HG2 VAL 13 2HG2 VAL 13 -32.844 -2.622 1.442
107 2HG2 VAL 13 1HG2 VAL 13 -33.913 -4.022 1.400
108 3HG2 VAL 13 3HG2 VAL 13 -33.062 -3.518 -0.059
109 H SER 14 H SER 14 -35.825 0.868 1.868
110 HA SER 14 HA SER 14 -37.975 1.095 0.042
111 1HB SER 14 2HB SER 14 -38.946 2.462 1.604
112 2HB SER 14 1HB SER 14 -37.717 1.720 2.629
113 HG SER 14 HG SER 14 -37.801 4.044 2.755
114 H LYS 15 H LYS 15 -35.256 1.669 -1.024
115 HA LYS 15 HA LYS 15 -35.928 3.758 -2.794
116 1HB LYS 15 2HB LYS 15 -34.346 4.438 -0.374
117 2HB LYS 15 1HB LYS 15 -33.698 5.048 -1.887
118 1HG LYS 15 2HG LYS 15 -36.536 5.594 -1.720
119 2HG LYS 15 1HG LYS 15 -35.702 6.208 -0.297
120 1HD LYS 15 2HD LYS 15 -34.663 6.745 -3.062
121 2HD LYS 15 1HD LYS 15 -35.928 7.746 -2.347
122 1HE LYS 15 2HE LYS 15 -34.525 8.648 -0.784
123 2HE LYS 15 1HE LYS 15 -33.495 7.217 -0.725
124 1HZ LYS 15 2HZ LYS 15 -33.500 8.699 -3.228
125 2HZ LYS 15 1HZ LYS 15 -32.773 9.469 -1.908
126 3HZ LYS 15 3HZ LYS 15 -32.221 7.952 -2.411
127 H CYS 16 H CYS 16 -35.274 2.455 -4.433
128 HA CYS 16 HA CYS 16 -32.507 2.265 -5.019
129 1HB CYS 16 2HB CYS 16 -33.543 0.192 -3.377
130 2HB CYS 16 1HB CYS 16 -33.277 -0.512 -4.967
131 H GLN 17 H GLN 17 -35.132 3.021 -6.169
132 HA GLN 17 HA GLN 17 -35.697 1.142 -8.254
133 1HB GLN 17 2HB GLN 17 -36.568 3.972 -8.520
134 2HB GLN 17 1HB GLN 17 -37.470 2.485 -8.782
135 1HG GLN 17 2HG GLN 17 -36.961 3.968 -6.246
136 2HG GLN 17 1HG GLN 17 -38.481 3.374 -6.914
137 1HE2 GLN 17 2HE2 GLN 17 -37.454 -0.080 -5.992
138 2HE2 GLN 17 1HE2 GLN 17 -37.722 0.753 -7.482
139 H LEU 18 H LEU 18 -32.960 2.510 -7.932
140 HA LEU 18 HA LEU 18 -32.387 2.705 -10.725
141 1HB LEU 18 2HB LEU 18 -32.771 5.143 -9.110
142 2HB LEU 18 1HB LEU 18 -31.292 5.122 -10.048
143 HG LEU 18 HG LEU 18 -34.067 4.790 -11.170
144 1HD1 LEU 18 3HD1 LEU 18 -32.260 7.127 -10.815
145 2HD1 LEU 18 2HD1 LEU 18 -33.287 7.049 -12.247
146 3HD1 LEU 18 1HD1 LEU 18 -34.012 7.017 -10.639
147 1HD2 LEU 18 2HD2 LEU 18 -31.338 4.642 -12.361
148 2HD2 LEU 18 1HD2 LEU 18 -32.776 3.686 -12.723
149 3HD2 LEU 18 3HD2 LEU 18 -32.646 5.342 -13.313
150 H ALA 19 H ALA 19 -30.638 4.560 -8.323
151 HA ALA 19 HA ALA 19 -28.839 2.603 -7.405
152 1HB ALA 19 1HB ALA 19 -28.367 2.868 -10.010
153 2HB ALA 19 3HB ALA 19 -27.411 4.235 -9.439
154 3HB ALA 19 2HB ALA 19 -27.070 2.609 -8.847
155 H ASN 20 H ASN 20 -26.483 4.296 -7.649
156 HA ASN 20 HA ASN 20 -25.430 5.969 -6.574
157 1HB ASN 20 2HB ASN 20 -26.354 7.873 -7.356
158 2HB ASN 20 1HB ASN 20 -27.949 7.140 -7.418
159 1HD2 ASN 20 2HD2 ASN 20 -26.908 9.661 -4.441
160 2HD2 ASN 20 1HD2 ASN 20 -25.782 9.137 -5.643
161 H GLN 21 H GLN 21 -28.590 6.229 -4.943
162 HA GLN 21 HA GLN 21 -27.773 6.613 -2.415
163 1HB GLN 21 2HB GLN 21 -30.130 6.469 -2.965
164 2HB GLN 21 1HB GLN 21 -29.984 4.748 -3.294
165 1HG GLN 21 2HG GLN 21 -31.013 5.087 -1.147
166 2HG GLN 21 1HG GLN 21 -29.421 4.358 -0.945
167 1HE2 GLN 21 2HE2 GLN 21 -29.027 8.294 -0.257
168 2HE2 GLN 21 1HE2 GLN 21 -29.349 7.635 -1.821
169 H CYS 22 H CYS 22 -28.784 3.284 -3.068
170 HA CYS 22 HA CYS 22 -27.150 2.161 -1.101
171 1HB CYS 22 2HB CYS 22 -28.942 1.214 -3.180
172 2HB CYS 22 1HB CYS 22 -27.560 0.137 -3.003
173 H ASN 23 H ASN 23 -26.583 2.639 -4.561
174 HA ASN 23 HA ASN 23 -24.212 1.194 -4.834
175 1HB ASN 23 2HB ASN 23 -25.731 2.557 -6.556
176 2HB ASN 23 1HB ASN 23 -24.478 3.770 -6.314
177 1HD2 ASN 23 2HD2 ASN 23 -22.024 1.107 -7.381
178 2HD2 ASN 23 1HD2 ASN 23 -22.401 1.789 -5.838
179 H TYR 24 H TYR 24 -24.200 4.750 -4.831
180 HA TYR 24 HA TYR 24 -21.567 5.099 -4.155
181 1HB TYR 24 2HB TYR 24 -22.267 7.202 -4.543
182 2HB TYR 24 1HB TYR 24 -23.939 6.757 -4.236
183 HD1 TYR 24 HD2 TYR 24 -20.836 7.214 -2.218
184 HD2 TYR 24 HD1 TYR 24 -24.992 8.031 -2.625
185 HE1 TYR 24 HE2 TYR 24 -20.775 8.506 -0.136
186 HE2 TYR 24 HE1 TYR 24 -24.945 9.330 -0.537
187 HH TYR 24 HH TYR 24 -22.846 10.664 0.757
188 H ASP 25 H ASP 25 -24.303 4.608 -1.948
189 HA ASP 25 HA ASP 25 -22.994 5.136 0.445
190 1HB ASP 25 2HB ASP 25 -25.217 3.196 -0.178
191 2HB ASP 25 1HB ASP 25 -24.642 3.498 1.458
192 H CYS 26 H CYS 26 -23.582 1.817 -0.758
193 HA CYS 26 HA CYS 26 -21.770 0.640 0.979
194 1HB CYS 26 2HB CYS 26 -23.209 -0.172 -1.428
195 2HB CYS 26 1HB CYS 26 -21.642 -0.963 -1.299
196 H LYS 27 H LYS 27 -21.279 2.073 -2.190
197 HA LYS 27 HA LYS 27 -18.622 1.299 -2.597
198 1HB LYS 27 2HB LYS 27 -20.384 2.516 -4.142
199 2HB LYS 27 1HB LYS 27 -19.557 3.960 -3.570
200 1HG LYS 27 2HG LYS 27 -17.484 3.228 -4.467
201 2HG LYS 27 1HG LYS 27 -18.125 1.622 -4.807
202 1HD LYS 27 2HD LYS 27 -18.229 2.568 -6.897
203 2HD LYS 27 1HD LYS 27 -19.837 2.959 -6.291
204 1HE LYS 27 2HE LYS 27 -17.485 4.831 -6.062
205 2HE LYS 27 1HE LYS 27 -18.591 4.836 -7.434
206 1HZ LYS 27 1HZ LYS 27 -20.245 4.924 -5.285
207 2HZ LYS 27 3HZ LYS 27 -18.951 5.900 -4.797
208 3HZ LYS 27 2HZ LYS 27 -19.785 6.252 -6.226
209 H LEU 28 H LEU 28 -19.594 2.891 0.048
210 HA LEU 28 HA LEU 28 -16.962 3.933 0.544
211 1HB LEU 28 2HB LEU 28 -18.096 5.735 -0.797
212 2HB LEU 28 1HB LEU 28 -19.217 5.925 0.536
213 HG LEU 28 HG LEU 28 -17.190 6.392 2.003
214 1HD1 LEU 28 1HD1 LEU 28 -15.913 6.375 -0.706
215 2HD1 LEU 28 3HD1 LEU 28 -15.279 7.382 0.596
216 3HD1 LEU 28 2HD1 LEU 28 -15.360 5.632 0.794
217 1HD2 LEU 28 1HD2 LEU 28 -18.782 8.103 1.143
218 2HD2 LEU 28 3HD2 LEU 28 -17.148 8.711 1.411
219 3HD2 LEU 28 2HD2 LEU 28 -17.699 8.354 -0.225
220 H ASP 29 H ASP 29 -20.329 3.696 1.628
221 HA ASP 29 HA ASP 29 -19.792 4.346 4.339
222 1HB ASP 29 2HB ASP 29 -22.069 2.993 2.923
223 2HB ASP 29 1HB ASP 29 -22.011 3.009 4.682
224 H LYS 30 H LYS 30 -19.045 1.666 2.464
225 HA LYS 30 HA LYS 30 -18.215 0.175 4.836
226 1HB LYS 30 2HB LYS 30 -20.228 -0.695 2.858
227 2HB LYS 30 1HB LYS 30 -18.988 -1.888 3.221
228 1HG LYS 30 2HG LYS 30 -19.542 -1.866 5.541
229 2HG LYS 30 1HG LYS 30 -20.632 -0.495 5.320
230 1HD LYS 30 2HD LYS 30 -22.272 -1.776 4.365
231 2HD LYS 30 1HD LYS 30 -21.127 -2.955 3.720
232 1HE LYS 30 2HE LYS 30 -22.557 -3.821 5.568
233 2HE LYS 30 1HE LYS 30 -20.826 -3.941 5.877
234 1HZ LYS 30 3HZ LYS 30 -21.006 -1.877 7.188
235 2HZ LYS 30 2HZ LYS 30 -22.684 -1.903 6.976
236 3HZ LYS 30 1HZ LYS 30 -21.921 -3.146 7.833
237 H HIS 31 H HIS 31 -17.277 1.715 2.250
238 HA HIS 31 HA HIS 31 -15.482 1.682 0.855
239 1HB HIS 31 2HB HIS 31 -14.133 -0.474 2.400
240 2HB HIS 31 1HB HIS 31 -13.505 1.070 1.831
241 HD1 HIS 31 HD1 HIS 31 -14.960 -0.592 4.769
242 HD2 HIS 31 HD2 HIS 31 -14.176 3.295 3.528
243 HE1 HIS 31 HE1 HIS 31 -15.144 0.823 6.840
244 HE2 HIS 31 HE2 HIS 31 -14.686 3.178 6.063
245 H ALA 32 H ALA 32 -17.492 0.262 -0.184
246 HA ALA 32 HA ALA 32 -16.588 -2.398 -0.909
247 1HB ALA 32 2HB ALA 32 -19.027 -0.823 -1.739
248 2HB ALA 32 1HB ALA 32 -18.693 -2.487 -2.219
249 3HB ALA 32 3HB ALA 32 -18.951 -2.095 -0.519
250 H ARG 33 H ARG 33 -16.858 -2.940 -3.355
251 HA ARG 33 HA ARG 33 -15.094 -1.112 -4.794
252 1HB ARG 33 2HB ARG 33 -14.490 -3.488 -4.723
253 2HB ARG 33 1HB ARG 33 -16.028 -3.910 -5.462
254 1HG ARG 33 2HG ARG 33 -14.836 -3.913 -7.373
255 2HG ARG 33 1HG ARG 33 -15.056 -2.165 -7.299
256 1HD ARG 33 2HD ARG 33 -12.765 -2.461 -7.675
257 2HD ARG 33 1HD ARG 33 -12.892 -2.125 -5.948
258 HE ARG 33 HE ARG 33 -12.987 -4.879 -6.245
259 1HH1 ARG 33 1HH2 ARG 33 -10.746 -2.288 -6.861
260 2HH1 ARG 33 2HH2 ARG 33 -9.342 -3.277 -6.646
261 1HH2 ARG 33 1HH1 ARG 33 -9.569 -5.496 -6.120
262 2HH2 ARG 33 2HH1 ARG 33 -11.147 -6.192 -5.951
263 H SER 34 H SER 34 -18.139 -2.870 -5.325
264 HA SER 34 HA SER 34 -19.275 -0.627 -6.716
265 1HB SER 34 2HB SER 34 -19.454 -1.510 -8.885
266 2HB SER 34 1HB SER 34 -17.800 -1.907 -8.420
267 HG SER 34 HG SER 34 -20.042 -3.584 -8.640
268 H GLY 35 H GLY 35 -21.384 -0.591 -6.266
269 1HA GLY 35 2HA GLY 35 -22.747 -3.161 -5.767
270 2HA GLY 35 1HA GLY 35 -22.919 -1.820 -4.647
271 H GLU 36 H GLU 36 -25.143 -2.941 -5.705
272 HA GLU 36 HA GLU 36 -26.489 -0.751 -6.814
273 1HB GLU 36 2HB GLU 36 -25.005 -2.027 -8.753
274 2HB GLU 36 1HB GLU 36 -26.580 -2.784 -8.939
275 1HG GLU 36 2HG GLU 36 -27.622 -0.745 -9.442
276 2HG GLU 36 1HG GLU 36 -26.257 0.198 -8.845
277 H CYS 37 H CYS 37 -28.706 -1.220 -7.380
278 HA CYS 37 HA CYS 37 -29.768 -3.281 -5.649
279 1HB CYS 37 2HB CYS 37 -31.498 -1.498 -7.298
280 2HB CYS 37 1HB CYS 37 -31.718 -2.047 -5.639
281 H PHE 38 H PHE 38 -30.555 -5.189 -6.319
282 HA PHE 38 HA PHE 38 -31.152 -5.526 -9.193
283 1HB PHE 38 2HB PHE 38 -29.494 -7.219 -7.365
284 2HB PHE 38 1HB PHE 38 -30.404 -8.001 -8.651
285 HD1 PHE 38 HD2 PHE 38 -29.915 -7.478 -11.008
286 HD2 PHE 38 HD1 PHE 38 -27.549 -5.933 -7.826
287 HE1 PHE 38 HE2 PHE 38 -28.127 -6.932 -12.608
288 HE2 PHE 38 HE1 PHE 38 -25.757 -5.384 -9.420
289 HZ PHE 38 HZ PHE 38 -26.045 -5.884 -11.814
290 H TYR 39 H TYR 39 -32.804 -6.931 -9.741
291 HA TYR 39 HA TYR 39 -34.760 -7.417 -7.608
292 1HB TYR 39 2HB TYR 39 -34.929 -7.046 -10.578
293 2HB TYR 39 1HB TYR 39 -36.197 -7.954 -9.764
294 HD1 TYR 39 HD1 TYR 39 -34.547 -4.658 -9.990
295 HD2 TYR 39 HD2 TYR 39 -37.872 -6.847 -8.480
296 HE1 TYR 39 HE1 TYR 39 -35.679 -2.547 -9.436
297 HE2 TYR 39 HE2 TYR 39 -39.011 -4.741 -7.926
298 HH TYR 39 HH TYR 39 -38.879 -2.285 -8.824
299 H ASP 40 H ASP 40 -35.831 -9.457 -7.463
300 HA ASP 40 HA ASP 40 -34.137 -11.686 -8.325
301 1HB ASP 40 2HB ASP 40 -35.931 -12.903 -6.755
302 2HB ASP 40 1HB ASP 40 -34.515 -12.085 -6.105
303 H GLU 41 H GLU 41 -35.463 -13.761 -8.817
304 HA GLU 41 HA GLU 41 -36.848 -13.308 -11.207
305 1HB GLU 41 2HB GLU 41 -35.635 -15.441 -10.364
306 2HB GLU 41 1HB GLU 41 -37.178 -15.833 -9.616
307 1HG GLU 41 2HG GLU 41 -37.350 -16.937 -11.611
308 2HG GLU 41 1HG GLU 41 -38.128 -15.404 -12.000
309 H LYS 42 H LYS 42 -37.887 -12.672 -8.182
310 HA LYS 42 HA LYS 42 -40.680 -13.407 -8.682
311 1HB LYS 42 2HB LYS 42 -39.637 -13.893 -6.459
312 2HB LYS 42 1HB LYS 42 -39.461 -12.163 -6.209
313 1HG LYS 42 2HG LYS 42 -41.557 -12.008 -5.451
314 2HG LYS 42 1HG LYS 42 -42.182 -12.742 -6.927
315 1HD LYS 42 2HD LYS 42 -41.104 -14.279 -4.561
316 2HD LYS 42 1HD LYS 42 -42.814 -13.970 -4.868
317 1HE LYS 42 2HE LYS 42 -41.998 -15.036 -7.257
318 2HE LYS 42 1HE LYS 42 -41.002 -15.924 -6.103
319 1HZ LYS 42 1HZ LYS 42 -43.728 -15.711 -5.260
320 2HZ LYS 42 3HZ LYS 42 -43.586 -16.481 -6.760
321 3HZ LYS 42 2HZ LYS 42 -42.754 -17.084 -5.417
322 H ARG 43 H ARG 43 -39.367 -10.584 -7.019
323 HA ARG 43 HA ARG 43 -39.755 -8.604 -8.870
324 1HB ARG 43 2HB ARG 43 -41.999 -7.665 -8.085
325 2HB ARG 43 1HB ARG 43 -42.043 -9.041 -9.165
326 1HG ARG 43 2HG ARG 43 -43.634 -9.604 -7.603
327 2HG ARG 43 1HG ARG 43 -42.214 -10.449 -6.998
328 1HD ARG 43 2HD ARG 43 -42.264 -7.810 -5.875
329 2HD ARG 43 1HD ARG 43 -43.833 -8.569 -5.633
330 HE ARG 43 HE ARG 43 -41.391 -10.014 -4.899
331 1HH1 ARG 43 1HH2 ARG 43 -44.380 -8.467 -3.980
332 2HH1 ARG 43 2HH2 ARG 43 -44.371 -9.122 -2.378
333 1HH2 ARG 43 2HH1 ARG 43 -41.375 -10.873 -2.791
334 2HH2 ARG 43 1HH1 ARG 43 -42.663 -10.483 -1.701
335 H ASN 44 H ASN 44 -38.456 -9.451 -6.251
336 HA ASN 44 HA ASN 44 -39.031 -7.120 -4.584
337 1HB ASN 44 2HB ASN 44 -36.961 -9.139 -3.836
338 2HB ASN 44 1HB ASN 44 -38.073 -8.241 -2.810
339 1HD2 ASN 44 2HD2 ASN 44 -39.383 -11.559 -2.604
340 2HD2 ASN 44 1HD2 ASN 44 -38.126 -10.557 -1.972
341 H LEU 45 H LEU 45 -36.559 -6.778 -3.360
342 HA LEU 45 HA LEU 45 -34.663 -6.136 -5.481
343 1HB LEU 45 2HB LEU 45 -36.310 -4.184 -4.023
344 2HB LEU 45 1HB LEU 45 -34.600 -3.797 -4.045
345 HG LEU 45 HG LEU 45 -35.966 -4.494 -6.611
346 1HD1 LEU 45 3HD1 LEU 45 -36.289 -1.975 -5.037
347 2HD1 LEU 45 2HD1 LEU 45 -36.237 -1.914 -6.799
348 3HD1 LEU 45 1HD1 LEU 45 -37.479 -2.867 -5.986
349 1HD2 LEU 45 2HD2 LEU 45 -33.431 -4.088 -6.176
350 2HD2 LEU 45 1HD2 LEU 45 -34.206 -3.386 -7.596
351 3HD2 LEU 45 3HD2 LEU 45 -33.901 -2.387 -6.176
352 H GLN 46 H GLN 46 -32.540 -5.891 -4.786
353 HA GLN 46 HA GLN 46 -31.961 -6.027 -1.940
354 1HB GLN 46 2HB GLN 46 -31.190 -8.200 -3.885
355 2HB GLN 46 1HB GLN 46 -30.397 -7.979 -2.330
356 1HG GLN 46 2HG GLN 46 -32.902 -8.061 -1.466
357 2HG GLN 46 1HG GLN 46 -33.114 -8.989 -2.950
358 1HE2 GLN 46 2HE2 GLN 46 -32.356 -11.718 -0.882
359 2HE2 GLN 46 1HE2 GLN 46 -33.611 -10.809 -1.644
360 H CYS 47 H CYS 47 -30.317 -4.749 -1.495
361 HA CYS 47 HA CYS 47 -28.795 -3.516 -3.595
362 1HB CYS 47 2HB CYS 47 -28.791 -3.265 -0.592
363 2HB CYS 47 1HB CYS 47 -27.646 -2.393 -1.606
364 H ILE 48 H ILE 48 -27.455 -5.000 -4.554
365 HA ILE 48 HA ILE 48 -25.768 -6.736 -2.976
366 HB ILE 48 HB ILE 48 -25.817 -6.261 -5.951
367 1HG1 ILE 48 2HG1 ILE 48 -27.856 -7.297 -4.626
368 2HG1 ILE 48 1HG1 ILE 48 -27.332 -7.988 -6.159
369 1HG2 ILE 48 3HG2 ILE 48 -24.242 -8.087 -4.203
370 2HG2 ILE 48 2HG2 ILE 48 -24.734 -8.645 -5.802
371 3HG2 ILE 48 1HG2 ILE 48 -23.746 -7.194 -5.640
372 1HD1 ILE 48 1HD1 ILE 48 -26.141 -9.052 -3.658
373 2HD1 ILE 48 3HD1 ILE 48 -27.802 -9.488 -4.057
374 3HD1 ILE 48 2HD1 ILE 48 -26.497 -9.866 -5.181
375 H CYS 49 H CYS 49 -23.941 -6.018 -2.056
376 HA CYS 49 HA CYS 49 -22.426 -3.878 -3.413
377 1HB CYS 49 2HB CYS 49 -22.065 -4.778 -0.552
378 2HB CYS 49 1HB CYS 49 -21.504 -3.283 -1.300
379 H ASP 50 H ASP 50 -20.831 -4.648 -4.637
380 HA ASP 50 HA ASP 50 -19.495 -7.153 -3.908
381 1HB ASP 50 2HB ASP 50 -19.243 -5.534 -6.451
382 2HB ASP 50 1HB ASP 50 -18.612 -7.154 -6.172
383 H TYR 51 H TYR 51 -17.215 -7.339 -3.909
384 HA TYR 51 HA TYR 51 -15.813 -4.815 -3.291
385 1HB TYR 51 2HB TYR 51 -15.629 -7.530 -2.001
386 2HB TYR 51 1HB TYR 51 -14.410 -6.281 -1.756
387 HD1 TYR 51 HD2 TYR 51 -18.071 -6.904 -1.440
388 HD2 TYR 51 HD1 TYR 51 -14.698 -4.719 -0.042
389 HE1 TYR 51 HE2 TYR 51 -19.441 -5.960 0.369
390 HE2 TYR 51 HE1 TYR 51 -16.059 -3.770 1.773
391 HH TYR 51 HH TYR 51 -19.520 -4.495 2.049
392 H CYS 52 H CYS 52 -15.703 -7.863 -4.999
393 HA CYS 52 HA CYS 52 -12.908 -7.451 -5.750
394 1HB CYS 52 2HB CYS 52 -14.839 -9.722 -6.084
395 2HB CYS 52 1HB CYS 52 -13.395 -9.643 -7.082
396 H GLU 53 H GLU 53 -14.673 -9.052 -8.134
397 HA GLU 53 HA GLU 53 -15.583 -6.895 -9.706
398 1HB GLU 53 2HB GLU 53 -13.023 -6.612 -9.729
399 2HB GLU 53 1HB GLU 53 -13.002 -8.053 -10.735
400 1HG GLU 53 2HG GLU 53 -14.277 -6.972 -12.435
401 2HG GLU 53 1HG GLU 53 -14.558 -5.571 -11.404
402 H TYR 54 HN TYR 54 -17.286 -8.435 -9.846
403 HA TYR 54 HA TYR 54 -18.505 -10.063 -10.855
404 1HB TYR 54 2HB TYR 54 -16.349 -9.558 -12.877
405 2HB TYR 54 1HB TYR 54 -17.502 -10.863 -13.134
406 HD1 TYR 54 HD1 TYR 54 -17.472 -7.246 -12.202
407 HD2 TYR 54 HD2 TYR 54 -19.428 -10.379 -14.311
408 HE1 TYR 54 HE1 TYR 54 -19.093 -5.628 -13.088
409 HE2 TYR 54 HE2 TYR 54 -21.053 -8.768 -15.204
410 HH TYR 54 HH TYR 54 -20.991 -5.360 -14.237
No H/Q in entry = 410
Start of MODEL 32
1 HN PCA 1 HN PCA 1 -9.518 -12.723 -7.798
2 HA PCA 1 HA PCA 1 -11.311 -11.008 -7.242
3 1HB PCA 1 1HB PCA 1 -12.307 -10.064 -9.042
4 2HB PCA 1 2HB PCA 1 -13.081 -11.616 -9.434
5 1HG PCA 1 1HG PCA 1 -10.821 -10.367 -10.732
6 2HG PCA 1 2HG PCA 1 -11.573 -11.925 -11.119
7 H ASP 2 H ASP 2 -11.509 -12.616 -5.621
8 HA ASP 2 HA ASP 2 -13.110 -14.973 -6.179
9 1HB ASP 2 2HB ASP 2 -12.177 -14.154 -3.444
10 2HB ASP 2 1HB ASP 2 -12.444 -15.774 -4.083
11 H LYS 3 H LYS 3 -14.744 -15.487 -4.290
12 HA LYS 3 HA LYS 3 -16.995 -13.988 -4.623
13 1HB LYS 3 2HB LYS 3 -16.767 -15.051 -1.884
14 2HB LYS 3 1HB LYS 3 -17.940 -15.423 -3.142
15 1HG LYS 3 2HG LYS 3 -15.991 -16.741 -4.228
16 2HG LYS 3 1HG LYS 3 -15.272 -16.659 -2.619
17 1HD LYS 3 2HD LYS 3 -16.427 -18.588 -2.321
18 2HD LYS 3 1HD LYS 3 -17.751 -17.477 -1.960
19 1HE LYS 3 2HE LYS 3 -17.229 -19.080 -4.427
20 2HE LYS 3 1HE LYS 3 -18.710 -18.937 -3.481
21 1HZ LYS 3 3HZ LYS 3 -18.727 -16.537 -4.271
22 2HZ LYS 3 2HZ LYS 3 -17.574 -17.012 -5.414
23 3HZ LYS 3 1HZ LYS 3 -19.107 -17.725 -5.414
24 H CYS 4 H CYS 4 -17.681 -12.024 -4.004
25 HA CYS 4 HA CYS 4 -16.754 -10.834 -1.541
26 1HB CYS 4 2HB CYS 4 -15.668 -10.080 -4.169
27 2HB CYS 4 1HB CYS 4 -16.187 -8.722 -3.182
28 H LYS 5 H LYS 5 -19.282 -11.669 -2.599
29 HA LYS 5 HA LYS 5 -20.720 -9.157 -3.080
30 1HB LYS 5 2HB LYS 5 -20.966 -11.653 -4.214
31 2HB LYS 5 1HB LYS 5 -22.255 -11.677 -3.024
32 1HG LYS 5 2HG LYS 5 -23.303 -10.881 -4.921
33 2HG LYS 5 1HG LYS 5 -22.940 -9.412 -4.018
34 1HD LYS 5 2HD LYS 5 -21.268 -8.765 -5.481
35 2HD LYS 5 1HD LYS 5 -20.997 -10.408 -6.066
36 1HE LYS 5 2HE LYS 5 -23.344 -8.619 -6.675
37 2HE LYS 5 1HE LYS 5 -22.085 -9.143 -7.793
38 1HZ LYS 5 1HZ LYS 5 -22.974 -11.496 -7.011
39 2HZ LYS 5 3HZ LYS 5 -24.396 -10.606 -6.782
40 3HZ LYS 5 2HZ LYS 5 -23.667 -10.656 -8.306
41 H LYS 6 H LYS 6 -22.003 -8.229 -1.544
42 HA LYS 6 HA LYS 6 -22.938 -9.819 0.705
43 1HB LYS 6 2HB LYS 6 -20.826 -7.740 0.908
44 2HB LYS 6 1HB LYS 6 -22.045 -7.760 2.175
45 1HG LYS 6 2HG LYS 6 -21.522 -10.180 2.520
46 2HG LYS 6 1HG LYS 6 -20.180 -9.984 1.391
47 1HD LYS 6 2HD LYS 6 -18.992 -8.621 2.832
48 2HD LYS 6 1HD LYS 6 -20.432 -8.141 3.730
49 1HE LYS 6 2HE LYS 6 -19.813 -11.018 3.840
50 2HE LYS 6 1HE LYS 6 -18.612 -9.972 4.597
51 1HZ LYS 6 1HZ LYS 6 -20.488 -8.929 5.835
52 2HZ LYS 6 3HZ LYS 6 -21.501 -10.147 5.241
53 3HZ LYS 6 2HZ LYS 6 -20.195 -10.545 6.239
54 H VAL 7 H VAL 7 -25.011 -9.371 0.913
55 HA VAL 7 HA VAL 7 -26.247 -7.128 -0.263
56 HB VAL 7 HB VAL 7 -28.217 -8.128 0.185
57 1HG1 VAL 7 3HG1 VAL 7 -26.706 -9.948 -0.536
58 2HG1 VAL 7 2HG1 VAL 7 -26.478 -10.380 1.160
59 3HG1 VAL 7 1HG1 VAL 7 -28.076 -10.504 0.426
60 1HG2 VAL 7 2HG2 VAL 7 -27.194 -8.561 2.984
61 2HG2 VAL 7 1HG2 VAL 7 -28.516 -7.525 2.444
62 3HG2 VAL 7 3HG2 VAL 7 -28.702 -9.279 2.421
63 H TYR 8 H TYR 8 -27.127 -5.295 0.562
64 HA TYR 8 HA TYR 8 -26.005 -4.378 3.083
65 1HB TYR 8 2HB TYR 8 -26.107 -2.931 0.985
66 2HB TYR 8 1HB TYR 8 -27.849 -2.867 1.217
67 HD1 TYR 8 HD2 TYR 8 -26.915 -2.853 4.482
68 HD2 TYR 8 HD1 TYR 8 -26.498 -0.390 1.029
69 HE1 TYR 8 HE2 TYR 8 -26.643 -0.893 5.918
70 HE2 TYR 8 HE1 TYR 8 -26.225 1.579 2.472
71 HH TYR 8 HH TYR 8 -26.682 1.398 5.940
72 H GLU 9 H GLU 9 -27.083 -5.036 4.842
73 HA GLU 9 HA GLU 9 -29.657 -6.025 4.885
74 1HB GLU 9 2HB GLU 9 -28.701 -4.632 7.337
75 2HB GLU 9 1HB GLU 9 -29.410 -6.231 7.157
76 1HG GLU 9 2HG GLU 9 -27.221 -6.890 6.034
77 2HG GLU 9 1HG GLU 9 -26.578 -5.379 6.677
78 H ASN 10 H ASN 10 -31.218 -4.879 6.678
79 HA ASN 10 HA ASN 10 -33.090 -3.465 6.299
80 1HB ASN 10 2HB ASN 10 -32.547 -1.369 7.594
81 2HB ASN 10 1HB ASN 10 -32.146 -2.876 8.411
82 1HD2 ASN 10 2HD2 ASN 10 -28.724 -2.278 8.547
83 2HD2 ASN 10 1HD2 ASN 10 -30.020 -3.396 8.781
84 H TYR 11 H TYR 11 -33.732 -2.846 4.332
85 HA TYR 11 HA TYR 11 -33.235 -0.281 3.343
86 1HB TYR 11 2HB TYR 11 -31.085 -1.907 2.776
87 2HB TYR 11 1HB TYR 11 -32.037 -2.046 1.307
88 HD1 TYR 11 HD1 TYR 11 -33.160 0.596 0.942
89 HD2 TYR 11 HD2 TYR 11 -29.298 -0.514 2.344
90 HE1 TYR 11 HE1 TYR 11 -32.261 2.746 0.157
91 HE2 TYR 11 HE2 TYR 11 -28.392 1.634 1.564
92 HH TYR 11 HH TYR 11 -29.550 3.458 -0.557
93 HA PRO 12 HA PRO 12 -37.081 -2.497 1.987
94 1HB PRO 12 2HB PRO 12 -37.977 0.339 2.113
95 2HB PRO 12 1HB PRO 12 -38.768 -1.123 2.716
96 1HG PRO 12 2HG PRO 12 -37.577 0.551 4.400
97 2HG PRO 12 1HG PRO 12 -37.446 -1.203 4.628
98 1HD PRO 12 2HD PRO 12 -35.442 0.719 3.510
99 2HD PRO 12 1HD PRO 12 -35.192 -0.670 4.590
100 H VAL 13 H VAL 13 -34.877 -0.653 0.484
101 HA VAL 13 HA VAL 13 -34.470 -0.703 -1.813
102 HB VAL 13 HB VAL 13 -37.452 -0.547 -2.178
103 1HG1 VAL 13 1HG1 VAL 13 -35.179 -0.387 -4.098
104 2HG1 VAL 13 3HG1 VAL 13 -36.736 -1.043 -4.603
105 3HG1 VAL 13 2HG1 VAL 13 -36.630 0.609 -3.995
106 1HG2 VAL 13 3HG2 VAL 13 -35.490 -2.770 -2.164
107 2HG2 VAL 13 2HG2 VAL 13 -37.194 -2.775 -1.716
108 3HG2 VAL 13 1HG2 VAL 13 -36.733 -2.815 -3.415
109 H SER 14 H SER 14 -37.369 1.317 -1.369
110 HA SER 14 HA SER 14 -37.639 3.505 -2.142
111 1HB SER 14 2HB SER 14 -37.097 4.915 -0.373
112 2HB SER 14 1HB SER 14 -37.051 3.333 0.403
113 HG SER 14 HG SER 14 -34.752 4.547 -0.714
114 H LYS 15 H LYS 15 -36.785 3.568 -4.211
115 HA LYS 15 HA LYS 15 -35.568 4.801 -5.751
116 1HB LYS 15 2HB LYS 15 -33.249 4.966 -3.832
117 2HB LYS 15 1HB LYS 15 -33.572 5.957 -5.242
118 1HG LYS 15 2HG LYS 15 -35.783 6.230 -3.460
119 2HG LYS 15 1HG LYS 15 -34.304 6.448 -2.528
120 1HD LYS 15 2HD LYS 15 -34.690 7.885 -5.136
121 2HD LYS 15 1HD LYS 15 -35.416 8.498 -3.652
122 1HE LYS 15 2HE LYS 15 -32.501 7.807 -3.798
123 2HE LYS 15 1HE LYS 15 -33.102 9.383 -4.313
124 1HZ LYS 15 3HZ LYS 15 -34.221 8.820 -1.821
125 2HZ LYS 15 2HZ LYS 15 -32.567 8.486 -1.708
126 3HZ LYS 15 1HZ LYS 15 -33.087 10.016 -2.206
127 H CYS 16 H CYS 16 -32.435 4.072 -5.089
128 HA CYS 16 HA CYS 16 -30.997 2.385 -5.597
129 1HB CYS 16 2HB CYS 16 -33.327 0.939 -4.940
130 2HB CYS 16 1HB CYS 16 -32.753 0.255 -6.455
131 H GLN 17 H GLN 17 -33.830 2.437 -7.755
132 HA GLN 17 HA GLN 17 -32.496 1.580 -10.063
133 1HB GLN 17 2HB GLN 17 -34.793 3.532 -10.064
134 2HB GLN 17 1HB GLN 17 -34.383 2.344 -11.293
135 1HG GLN 17 2HG GLN 17 -34.793 0.633 -9.371
136 2HG GLN 17 1HG GLN 17 -35.705 1.958 -8.650
137 1HE2 GLN 17 2HE2 GLN 17 -37.020 0.338 -12.178
138 2HE2 GLN 17 1HE2 GLN 17 -35.333 0.377 -11.810
139 H LEU 18 H LEU 18 -32.162 4.421 -8.317
140 HA LEU 18 HA LEU 18 -31.544 6.229 -10.427
141 1HB LEU 18 2HB LEU 18 -30.908 6.261 -7.480
142 2HB LEU 18 1HB LEU 18 -30.516 7.578 -8.570
143 HG LEU 18 HG LEU 18 -32.634 7.821 -7.181
144 1HD1 LEU 18 3HD1 LEU 18 -32.043 9.136 -9.238
145 2HD1 LEU 18 2HD1 LEU 18 -33.034 8.004 -10.158
146 3HD1 LEU 18 1HD1 LEU 18 -33.769 9.001 -8.902
147 1HD2 LEU 18 2HD2 LEU 18 -33.374 5.458 -7.597
148 2HD2 LEU 18 1HD2 LEU 18 -34.606 6.689 -7.865
149 3HD2 LEU 18 3HD2 LEU 18 -33.783 5.950 -9.239
150 H ALA 19 H ALA 19 -29.601 4.236 -8.241
151 HA ALA 19 HA ALA 19 -27.621 3.122 -8.869
152 1HB ALA 19 2HB ALA 19 -27.904 4.083 -11.229
153 2HB ALA 19 1HB ALA 19 -26.873 5.402 -10.666
154 3HB ALA 19 3HB ALA 19 -26.271 3.745 -10.662
155 H ASN 20 H ASN 20 -28.406 5.807 -7.328
156 HA ASN 20 HA ASN 20 -25.689 6.580 -6.573
157 1HB ASN 20 2HB ASN 20 -27.358 8.347 -7.105
158 2HB ASN 20 1HB ASN 20 -28.324 7.805 -5.736
159 1HD2 ASN 20 2HD2 ASN 20 -24.649 9.229 -4.692
160 2HD2 ASN 20 1HD2 ASN 20 -24.821 8.018 -5.912
161 H GLN 21 H GLN 21 -27.737 7.319 -4.101
162 HA GLN 21 HA GLN 21 -26.966 6.555 -1.883
163 1HB GLN 21 2HB GLN 21 -29.527 5.354 -2.923
164 2HB GLN 21 1HB GLN 21 -29.058 5.284 -1.231
165 1HG GLN 21 2HG GLN 21 -29.408 7.825 -2.803
166 2HG GLN 21 1HG GLN 21 -30.635 7.112 -1.757
167 1HE2 GLN 21 2HE2 GLN 21 -28.180 7.624 1.067
168 2HE2 GLN 21 1HE2 GLN 21 -28.678 6.214 0.205
169 H CYS 22 H CYS 22 -28.264 3.770 -3.678
170 HA CYS 22 HA CYS 22 -27.108 1.793 -2.094
171 1HB CYS 22 2HB CYS 22 -28.914 1.601 -3.928
172 2HB CYS 22 1HB CYS 22 -27.564 1.446 -5.048
173 H ASN 23 H ASN 23 -26.052 2.542 -5.417
174 HA ASN 23 HA ASN 23 -23.628 1.241 -5.329
175 1HB ASN 23 2HB ASN 23 -24.876 2.560 -7.267
176 2HB ASN 23 1HB ASN 23 -23.764 3.844 -6.794
177 1HD2 ASN 23 2HD2 ASN 23 -21.721 2.361 -9.243
178 2HD2 ASN 23 1HD2 ASN 23 -22.871 3.611 -8.923
179 H TYR 24 H TYR 24 -24.258 4.665 -4.592
180 HA TYR 24 HA TYR 24 -21.667 5.406 -3.905
181 1HB TYR 24 2HB TYR 24 -23.089 7.218 -4.068
182 2HB TYR 24 1HB TYR 24 -24.390 6.412 -3.202
183 HD1 TYR 24 HD1 TYR 24 -20.858 7.376 -2.428
184 HD2 TYR 24 HD2 TYR 24 -24.935 7.441 -1.214
185 HE1 TYR 24 HE1 TYR 24 -20.223 8.579 -0.380
186 HE2 TYR 24 HE2 TYR 24 -24.312 8.646 0.837
187 HH TYR 24 HH TYR 24 -21.805 8.739 2.227
188 H ASP 25 H ASP 25 -24.253 4.102 -1.844
189 HA ASP 25 HA ASP 25 -22.894 4.183 0.588
190 1HB ASP 25 2HB ASP 25 -25.059 2.356 -0.439
191 2HB ASP 25 1HB ASP 25 -24.431 2.230 1.201
192 H CYS 26 H CYS 26 -23.185 1.417 -1.658
193 HA CYS 26 HA CYS 26 -21.497 -0.293 -0.254
194 1HB CYS 26 2HB CYS 26 -21.792 -0.159 -3.264
195 2HB CYS 26 1HB CYS 26 -21.239 -1.543 -2.331
196 H LYS 27 H LYS 27 -20.737 2.025 -2.832
197 HA LYS 27 HA LYS 27 -17.979 1.547 -2.967
198 1HB LYS 27 2HB LYS 27 -19.670 3.065 -4.390
199 2HB LYS 27 1HB LYS 27 -18.946 4.324 -3.399
200 1HG LYS 27 2HG LYS 27 -16.775 3.848 -4.226
201 2HG LYS 27 1HG LYS 27 -17.330 2.365 -5.007
202 1HD LYS 27 2HD LYS 27 -17.070 4.068 -6.683
203 2HD LYS 27 1HD LYS 27 -18.792 3.747 -6.467
204 1HE LYS 27 2HE LYS 27 -17.603 5.904 -4.812
205 2HE LYS 27 1HE LYS 27 -17.778 6.222 -6.538
206 1HZ LYS 27 2HZ LYS 27 -19.983 5.311 -4.771
207 2HZ LYS 27 1HZ LYS 27 -19.711 6.922 -5.208
208 3HZ LYS 27 3HZ LYS 27 -20.113 5.781 -6.390
209 H LEU 28 H LEU 28 -19.479 2.245 -0.260
210 HA LEU 28 HA LEU 28 -17.161 3.323 1.016
211 1HB LEU 28 2HB LEU 28 -18.584 5.280 -0.002
212 2HB LEU 28 1HB LEU 28 -19.655 4.963 1.340
213 HG LEU 28 HG LEU 28 -17.260 6.559 1.272
214 1HD1 LEU 28 3HD1 LEU 28 -19.481 7.098 2.284
215 2HD1 LEU 28 2HD1 LEU 28 -19.063 6.018 3.615
216 3HD1 LEU 28 1HD1 LEU 28 -18.084 7.451 3.302
217 1HD2 LEU 28 1HD2 LEU 28 -17.151 4.211 3.137
218 2HD2 LEU 28 3HD2 LEU 28 -15.895 4.840 2.074
219 3HD2 LEU 28 2HD2 LEU 28 -16.367 5.740 3.512
220 H ASP 29 H ASP 29 -19.377 4.415 3.000
221 HA ASP 29 HA ASP 29 -20.043 3.651 5.053
222 1HB ASP 29 2HB ASP 29 -21.493 1.933 3.055
223 2HB ASP 29 1HB ASP 29 -21.820 1.806 4.781
224 H LYS 30 H LYS 30 -19.976 0.492 3.418
225 HA LYS 30 HA LYS 30 -18.518 -0.603 5.694
226 1HB LYS 30 2HB LYS 30 -19.344 -2.281 3.369
227 2HB LYS 30 1HB LYS 30 -19.329 -2.670 5.084
228 1HG LYS 30 2HG LYS 30 -21.304 -1.304 5.435
229 2HG LYS 30 1HG LYS 30 -21.299 -0.838 3.732
230 1HD LYS 30 2HD LYS 30 -21.924 -2.964 3.021
231 2HD LYS 30 1HD LYS 30 -21.396 -3.727 4.522
232 1HE LYS 30 2HE LYS 30 -23.853 -3.613 4.314
233 2HE LYS 30 1HE LYS 30 -23.243 -2.744 5.722
234 1HZ LYS 30 3HZ LYS 30 -23.325 -0.951 3.591
235 2HZ LYS 30 2HZ LYS 30 -24.807 -1.762 3.609
236 3HZ LYS 30 1HZ LYS 30 -24.274 -0.946 4.991
237 H HIS 31 H HIS 31 -17.740 0.782 2.795
238 HA HIS 31 HA HIS 31 -15.670 1.058 1.842
239 1HB HIS 31 2HB HIS 31 -14.557 -1.371 3.186
240 2HB HIS 31 1HB HIS 31 -13.753 0.132 2.750
241 HD1 HIS 31 HD1 HIS 31 -13.798 -1.306 5.622
242 HD2 HIS 31 HD2 HIS 31 -15.956 2.053 4.468
243 HE1 HIS 31 HE1 HIS 31 -14.332 -0.084 7.754
244 HE2 HIS 31 HE2 HIS 31 -15.626 1.953 7.032
245 H ALA 32 H ALA 32 -17.707 -0.268 0.539
246 HA ALA 32 HA ALA 32 -16.583 -2.682 -0.637
247 1HB ALA 32 1HB ALA 32 -19.169 -1.906 -0.154
248 2HB ALA 32 3HB ALA 32 -19.013 -1.597 -1.882
249 3HB ALA 32 2HB ALA 32 -18.692 -3.207 -1.245
250 H ARG 33 H ARG 33 -16.818 -2.793 -3.141
251 HA ARG 33 HA ARG 33 -15.314 -0.522 -4.204
252 1HB ARG 33 2HB ARG 33 -14.684 -3.058 -4.412
253 2HB ARG 33 1HB ARG 33 -15.857 -3.053 -5.720
254 1HG ARG 33 2HG ARG 33 -13.725 -0.975 -5.724
255 2HG ARG 33 1HG ARG 33 -13.304 -2.628 -6.169
256 1HD ARG 33 2HD ARG 33 -15.709 -1.399 -7.415
257 2HD ARG 33 1HD ARG 33 -14.120 -0.874 -7.968
258 HE ARG 33 HE ARG 33 -14.056 -3.629 -7.984
259 1HH1 ARG 33 1HH2 ARG 33 -15.933 -1.126 -9.513
260 2HH1 ARG 33 2HH2 ARG 33 -16.236 -2.049 -10.946
261 1HH2 ARG 33 2HH1 ARG 33 -14.458 -4.858 -9.863
262 2HH2 ARG 33 1HH1 ARG 33 -15.401 -4.173 -11.145
263 H SER 34 H SER 34 -18.346 -2.187 -4.512
264 HA SER 34 HA SER 34 -19.608 -0.040 -5.819
265 1HB SER 34 2HB SER 34 -19.940 -0.864 -8.032
266 2HB SER 34 1HB SER 34 -18.210 -0.991 -7.717
267 HG SER 34 HG SER 34 -18.352 -3.125 -7.666
268 H GLY 35 H GLY 35 -21.655 -1.378 -7.158
269 1HA GLY 35 2HA GLY 35 -22.752 -3.623 -6.004
270 2HA GLY 35 1HA GLY 35 -23.201 -2.299 -4.939
271 H GLU 36 H GLU 36 -25.317 -3.390 -5.834
272 HA GLU 36 HA GLU 36 -26.637 -1.464 -7.365
273 1HB GLU 36 2HB GLU 36 -25.127 -3.148 -8.990
274 2HB GLU 36 1HB GLU 36 -26.751 -3.809 -9.108
275 1HG GLU 36 2HG GLU 36 -27.590 -1.599 -9.754
276 2HG GLU 36 1HG GLU 36 -25.946 -0.965 -9.670
277 H CYS 37 H CYS 37 -28.881 -2.061 -7.840
278 HA CYS 37 HA CYS 37 -29.896 -3.839 -5.783
279 1HB CYS 37 2HB CYS 37 -30.782 -1.447 -7.080
280 2HB CYS 37 1HB CYS 37 -32.015 -2.679 -7.303
281 H PHE 38 H PHE 38 -30.966 -5.762 -6.137
282 HA PHE 38 HA PHE 38 -31.648 -6.507 -8.883
283 1HB PHE 38 2HB PHE 38 -29.665 -8.020 -7.183
284 2HB PHE 38 1HB PHE 38 -30.462 -8.721 -8.589
285 HD1 PHE 38 HD1 PHE 38 -30.289 -7.232 -10.774
286 HD2 PHE 38 HD2 PHE 38 -27.604 -7.060 -7.477
287 HE1 PHE 38 HE1 PHE 38 -28.567 -6.255 -12.234
288 HE2 PHE 38 HE2 PHE 38 -25.875 -6.083 -8.933
289 HZ PHE 38 HZ PHE 38 -26.356 -5.679 -11.315
290 H TYR 39 H TYR 39 -33.428 -7.661 -9.038
291 HA TYR 39 HA TYR 39 -35.309 -7.996 -7.147
292 1HB TYR 39 2HB TYR 39 -34.738 -9.275 -9.714
293 2HB TYR 39 1HB TYR 39 -35.726 -10.270 -8.649
294 HD1 TYR 39 HD2 TYR 39 -35.758 -6.556 -8.817
295 HD2 TYR 39 HD1 TYR 39 -37.787 -10.174 -9.780
296 HE1 TYR 39 HE2 TYR 39 -37.745 -5.263 -9.469
297 HE2 TYR 39 HE1 TYR 39 -39.778 -8.888 -10.438
298 HH TYR 39 HH TYR 39 -39.821 -5.338 -10.245
299 H ASP 40 H ASP 40 -36.191 -9.925 -6.100
300 HA ASP 40 HA ASP 40 -34.175 -11.862 -5.221
301 1HB ASP 40 2HB ASP 40 -34.945 -11.624 -2.881
302 2HB ASP 40 1HB ASP 40 -34.209 -10.145 -3.489
303 H GLU 41 H GLU 41 -35.825 -13.117 -3.315
304 HA GLU 41 HA GLU 41 -37.295 -14.831 -4.978
305 1HB GLU 41 2HB GLU 41 -37.900 -14.626 -2.057
306 2HB GLU 41 1HB GLU 41 -37.767 -16.059 -3.070
307 1HG GLU 41 2HG GLU 41 -35.304 -15.570 -3.234
308 2HG GLU 41 1HG GLU 41 -35.547 -14.359 -1.977
309 H LYS 42 H LYS 42 -38.177 -11.938 -3.264
310 HA LYS 42 HA LYS 42 -41.023 -12.380 -3.823
311 1HB LYS 42 2HB LYS 42 -39.699 -10.196 -2.208
312 2HB LYS 42 1HB LYS 42 -41.427 -10.478 -2.341
313 1HG LYS 42 2HG LYS 42 -39.428 -12.365 -1.110
314 2HG LYS 42 1HG LYS 42 -40.517 -11.299 -0.226
315 1HD LYS 42 2HD LYS 42 -41.249 -13.653 -1.962
316 2HD LYS 42 1HD LYS 42 -41.467 -13.491 -0.221
317 1HE LYS 42 2HE LYS 42 -42.962 -11.487 -0.794
318 2HE LYS 42 1HE LYS 42 -42.965 -12.130 -2.436
319 1HZ LYS 42 3HZ LYS 42 -43.506 -14.234 -0.681
320 2HZ LYS 42 2HZ LYS 42 -44.514 -12.946 -0.252
321 3HZ LYS 42 1HZ LYS 42 -44.535 -13.544 -1.834
322 H ARG 43 H ARG 43 -39.031 -11.730 -5.915
323 HA ARG 43 HA ARG 43 -38.872 -10.441 -7.780
324 1HB ARG 43 2HB ARG 43 -41.623 -9.562 -6.908
325 2HB ARG 43 1HB ARG 43 -40.903 -9.187 -8.467
326 1HG ARG 43 2HG ARG 43 -40.971 -11.416 -9.165
327 2HG ARG 43 1HG ARG 43 -41.227 -12.013 -7.523
328 1HD ARG 43 2HD ARG 43 -43.235 -10.155 -8.683
329 2HD ARG 43 1HD ARG 43 -43.213 -11.820 -9.255
330 HE ARG 43 HE ARG 43 -43.356 -12.360 -6.751
331 1HH1 ARG 43 1HH2 ARG 43 -44.839 -9.602 -8.284
332 2HH1 ARG 43 2HH2 ARG 43 -46.098 -9.462 -7.104
333 1HH2 ARG 43 2HH1 ARG 43 -45.016 -12.185 -5.198
334 2HH2 ARG 43 1HH1 ARG 43 -46.204 -10.934 -5.356
335 H ASN 44 H ASN 44 -38.607 -9.234 -4.810
336 HA ASN 44 HA ASN 44 -38.525 -6.409 -5.569
337 1HB ASN 44 2HB ASN 44 -38.229 -7.803 -2.904
338 2HB ASN 44 1HB ASN 44 -38.015 -6.069 -3.118
339 1HD2 ASN 44 2HD2 ASN 44 -41.631 -7.531 -2.510
340 2HD2 ASN 44 1HD2 ASN 44 -40.149 -8.366 -2.213
341 H LEU 45 H LEU 45 -36.710 -5.141 -5.471
342 HA LEU 45 HA LEU 45 -34.232 -6.580 -5.883
343 1HB LEU 45 2HB LEU 45 -33.420 -4.248 -6.527
344 2HB LEU 45 1HB LEU 45 -34.553 -5.060 -7.584
345 HG LEU 45 HG LEU 45 -35.552 -3.145 -5.506
346 1HD1 LEU 45 2HD1 LEU 45 -34.244 -2.476 -8.119
347 2HD1 LEU 45 1HD1 LEU 45 -35.489 -1.438 -7.425
348 3HD1 LEU 45 3HD1 LEU 45 -34.000 -1.745 -6.533
349 1HD2 LEU 45 3HD2 LEU 45 -36.852 -4.777 -7.267
350 2HD2 LEU 45 2HD2 LEU 45 -37.518 -3.293 -6.590
351 3HD2 LEU 45 1HD2 LEU 45 -36.764 -3.273 -8.183
352 H GLN 46 H GLN 46 -32.767 -6.862 -4.439
353 HA GLN 46 HA GLN 46 -32.712 -5.150 -2.057
354 1HB GLN 46 2HB GLN 46 -31.807 -7.936 -2.655
355 2HB GLN 46 1HB GLN 46 -30.970 -7.039 -1.396
356 1HG GLN 46 2HG GLN 46 -33.244 -6.616 -0.374
357 2HG GLN 46 1HG GLN 46 -33.866 -7.818 -1.504
358 1HE2 GLN 46 2HE2 GLN 46 -32.210 -8.959 1.920
359 2HE2 GLN 46 1HE2 GLN 46 -32.661 -7.337 1.534
360 H CYS 47 H CYS 47 -30.780 -4.163 -1.379
361 HA CYS 47 HA CYS 47 -29.090 -3.307 -3.537
362 1HB CYS 47 2HB CYS 47 -29.656 -2.477 -0.785
363 2HB CYS 47 1HB CYS 47 -27.968 -2.270 -1.235
364 H ILE 48 H ILE 48 -27.746 -4.904 -4.249
365 HA ILE 48 HA ILE 48 -26.193 -6.455 -2.353
366 HB ILE 48 HB ILE 48 -26.232 -6.530 -5.364
367 1HG1 ILE 48 2HG1 ILE 48 -27.417 -8.373 -3.275
368 2HG1 ILE 48 1HG1 ILE 48 -28.315 -7.322 -4.365
369 1HG2 ILE 48 2HG2 ILE 48 -24.795 -8.266 -3.367
370 2HG2 ILE 48 1HG2 ILE 48 -24.989 -8.667 -5.074
371 3HG2 ILE 48 3HG2 ILE 48 -24.071 -7.237 -4.603
372 1HD1 ILE 48 1HD1 ILE 48 -26.898 -8.777 -6.137
373 2HD1 ILE 48 3HD1 ILE 48 -27.107 -9.950 -4.838
374 3HD1 ILE 48 2HD1 ILE 48 -28.518 -9.191 -5.577
375 H CYS 49 H CYS 49 -24.334 -5.709 -1.556
376 HA CYS 49 HA CYS 49 -22.848 -3.656 -3.033
377 1HB CYS 49 2HB CYS 49 -22.737 -4.611 -0.177
378 2HB CYS 49 1HB CYS 49 -21.531 -3.526 -0.856
379 H ASP 50 H ASP 50 -21.167 -4.173 -4.215
380 HA ASP 50 HA ASP 50 -19.850 -6.763 -3.824
381 1HB ASP 50 2HB ASP 50 -20.494 -6.462 -6.085
382 2HB ASP 50 1HB ASP 50 -19.908 -4.801 -6.112
383 H TYR 51 H TYR 51 -17.816 -6.964 -3.173
384 HA TYR 51 HA TYR 51 -16.386 -4.512 -2.418
385 1HB TYR 51 2HB TYR 51 -16.291 -7.344 -1.404
386 2HB TYR 51 1HB TYR 51 -15.100 -6.134 -0.934
387 HD1 TYR 51 HD1 TYR 51 -18.828 -6.344 -1.220
388 HD2 TYR 51 HD2 TYR 51 -15.477 -5.176 1.125
389 HE1 TYR 51 HE1 TYR 51 -20.345 -5.564 0.537
390 HE2 TYR 51 HE2 TYR 51 -16.988 -4.394 2.902
391 HH TYR 51 HH TYR 51 -20.254 -5.177 3.013
392 H CYS 52 H CYS 52 -16.129 -7.413 -4.346
393 HA CYS 52 HA CYS 52 -13.661 -6.375 -5.513
394 1HB CYS 52 2HB CYS 52 -13.697 -9.300 -4.930
395 2HB CYS 52 1HB CYS 52 -12.335 -8.194 -5.054
396 H GLU 53 H GLU 53 -15.537 -5.959 -7.058
397 HA GLU 53 HA GLU 53 -16.670 -6.428 -8.981
398 1HB GLU 53 2HB GLU 53 -14.341 -6.611 -9.752
399 2HB GLU 53 1HB GLU 53 -14.341 -8.320 -9.350
400 1HG GLU 53 2HG GLU 53 -14.765 -8.464 -11.576
401 2HG GLU 53 1HG GLU 53 -16.421 -8.336 -10.985
402 H TYR 54 HN TYR 54 -15.419 -9.671 -9.078
403 HA TYR 54 HA TYR 54 -17.633 -11.047 -9.629
404 1HB TYR 54 2HB TYR 54 -15.146 -11.703 -8.231
405 2HB TYR 54 1HB TYR 54 -16.477 -12.761 -7.767
406 HD1 TYR 54 HD1 TYR 54 -15.871 -11.165 -11.058
407 HD2 TYR 54 HD2 TYR 54 -15.926 -14.786 -8.824
408 HE1 TYR 54 HE1 TYR 54 -15.586 -12.438 -13.130
409 HE2 TYR 54 HE2 TYR 54 -15.632 -16.075 -10.899
410 HH TYR 54 HH TYR 54 -14.695 -15.666 -13.205
No H/Q in entry = 410
Start of MODEL 33
1 HN PCA 1 HN PCA 1 -17.613 -18.112 -8.768
2 HA PCA 1 HA PCA 1 -15.544 -17.886 -10.218
3 1HB PCA 1 1HB PCA 1 -15.915 -18.232 -12.424
4 2HB PCA 1 2HB PCA 1 -16.788 -16.686 -12.513
5 1HG PCA 1 1HG PCA 1 -17.894 -19.344 -12.555
6 2HG PCA 1 2HG PCA 1 -18.776 -17.807 -12.559
7 H ASP 2 H ASP 2 -17.283 -16.278 -8.397
8 HA ASP 2 HA ASP 2 -16.094 -13.692 -8.998
9 1HB ASP 2 2HB ASP 2 -19.070 -14.081 -8.627
10 2HB ASP 2 1HB ASP 2 -18.263 -12.516 -8.590
11 H LYS 3 H LYS 3 -18.758 -14.479 -6.820
12 HA LYS 3 HA LYS 3 -18.976 -14.216 -4.571
13 1HB LYS 3 2HB LYS 3 -17.905 -16.319 -4.437
14 2HB LYS 3 1HB LYS 3 -16.334 -15.635 -4.820
15 1HG LYS 3 2HG LYS 3 -17.488 -14.499 -2.393
16 2HG LYS 3 1HG LYS 3 -17.286 -16.246 -2.291
17 1HD LYS 3 2HD LYS 3 -14.991 -16.129 -2.473
18 2HD LYS 3 1HD LYS 3 -15.023 -14.585 -3.321
19 1HE LYS 3 2HE LYS 3 -15.832 -13.543 -1.178
20 2HE LYS 3 1HE LYS 3 -15.495 -15.086 -0.391
21 1HZ LYS 3 2HZ LYS 3 -13.478 -13.501 -1.883
22 2HZ LYS 3 1HZ LYS 3 -13.674 -13.447 -0.204
23 3HZ LYS 3 3HZ LYS 3 -13.196 -14.886 -0.955
24 H CYS 4 H CYS 4 -19.067 -12.117 -4.063
25 HA CYS 4 HA CYS 4 -17.111 -10.866 -2.578
26 1HB CYS 4 2HB CYS 4 -16.461 -10.813 -5.352
27 2HB CYS 4 1HB CYS 4 -16.891 -9.173 -4.883
28 H LYS 5 H LYS 5 -20.067 -11.158 -3.091
29 HA LYS 5 HA LYS 5 -20.713 -8.342 -2.648
30 1HB LYS 5 2HB LYS 5 -22.568 -8.359 -4.162
31 2HB LYS 5 1HB LYS 5 -21.140 -8.885 -5.040
32 1HG LYS 5 2HG LYS 5 -23.332 -10.646 -3.967
33 2HG LYS 5 1HG LYS 5 -23.035 -10.235 -5.657
34 1HD LYS 5 2HD LYS 5 -20.677 -11.239 -5.205
35 2HD LYS 5 1HD LYS 5 -21.466 -12.013 -3.831
36 1HE LYS 5 2HE LYS 5 -22.523 -12.210 -6.644
37 2HE LYS 5 1HE LYS 5 -21.364 -13.357 -5.976
38 1HZ LYS 5 1HZ LYS 5 -22.975 -13.814 -4.187
39 2HZ LYS 5 3HZ LYS 5 -24.096 -12.805 -4.955
40 3HZ LYS 5 2HZ LYS 5 -23.568 -14.218 -5.719
41 H LYS 6 H LYS 6 -22.598 -7.936 -1.449
42 HA LYS 6 HA LYS 6 -24.047 -10.218 -0.357
43 1HB LYS 6 2HB LYS 6 -23.570 -9.739 1.933
44 2HB LYS 6 1HB LYS 6 -22.032 -9.865 1.092
45 1HG LYS 6 2HG LYS 6 -21.825 -7.453 1.038
46 2HG LYS 6 1HG LYS 6 -23.410 -7.278 1.791
47 1HD LYS 6 2HD LYS 6 -21.617 -6.998 3.423
48 2HD LYS 6 1HD LYS 6 -22.604 -8.415 3.786
49 1HE LYS 6 2HE LYS 6 -20.017 -8.586 3.911
50 2HE LYS 6 1HE LYS 6 -20.943 -9.894 3.179
51 1HZ LYS 6 1HZ LYS 6 -19.881 -7.706 1.514
52 2HZ LYS 6 3HZ LYS 6 -18.885 -8.999 1.962
53 3HZ LYS 6 2HZ LYS 6 -20.290 -9.284 1.064
54 H VAL 7 H VAL 7 -26.131 -9.760 0.061
55 HA VAL 7 HA VAL 7 -27.237 -7.285 -0.731
56 HB VAL 7 HB VAL 7 -29.347 -8.155 -0.227
57 1HG1 VAL 7 2HG1 VAL 7 -27.477 -10.407 -0.919
58 2HG1 VAL 7 1HG1 VAL 7 -29.234 -10.548 -0.986
59 3HG1 VAL 7 3HG1 VAL 7 -28.402 -9.385 -2.018
60 1HG2 VAL 7 2HG2 VAL 7 -27.920 -9.725 1.874
61 2HG2 VAL 7 1HG2 VAL 7 -29.377 -8.740 2.001
62 3HG2 VAL 7 3HG2 VAL 7 -29.448 -10.326 1.232
63 H TYR 8 H TYR 8 -27.993 -5.546 0.407
64 HA TYR 8 HA TYR 8 -26.965 -5.221 3.092
65 1HB TYR 8 2HB TYR 8 -27.015 -3.432 1.247
66 2HB TYR 8 1HB TYR 8 -28.724 -3.272 1.611
67 HD1 TYR 8 HD2 TYR 8 -27.784 -3.898 4.752
68 HD2 TYR 8 HD1 TYR 8 -26.992 -0.973 1.763
69 HE1 TYR 8 HE2 TYR 8 -27.250 -2.268 6.499
70 HE2 TYR 8 HE1 TYR 8 -26.451 0.666 3.511
71 HH TYR 8 HH TYR 8 -27.056 0.046 6.867
72 H GLU 9 H GLU 9 -28.594 -7.236 3.325
73 HA GLU 9 HA GLU 9 -30.712 -8.015 3.938
74 1HB GLU 9 2HB GLU 9 -30.095 -6.111 6.193
75 2HB GLU 9 1HB GLU 9 -30.960 -7.639 6.285
76 1HG GLU 9 2HG GLU 9 -28.745 -8.666 5.431
77 2HG GLU 9 1HG GLU 9 -28.033 -7.143 5.963
78 H ASN 10 H ASN 10 -32.276 -6.420 5.933
79 HA ASN 10 HA ASN 10 -34.320 -5.527 4.271
80 1HB ASN 10 2HB ASN 10 -35.235 -4.436 6.326
81 2HB ASN 10 1HB ASN 10 -34.783 -6.124 6.551
82 1HD2 ASN 10 2HD2 ASN 10 -32.758 -5.415 9.232
83 2HD2 ASN 10 1HD2 ASN 10 -33.789 -6.505 8.377
84 H TYR 11 H TYR 11 -32.487 -4.267 2.935
85 HA TYR 11 HA TYR 11 -31.643 -1.735 3.701
86 1HB TYR 11 2HB TYR 11 -30.965 -3.012 1.630
87 2HB TYR 11 1HB TYR 11 -32.479 -2.496 0.901
88 HD1 TYR 11 HD2 TYR 11 -29.583 -0.955 2.712
89 HD2 TYR 11 HD1 TYR 11 -32.389 -0.652 -0.472
90 HE1 TYR 11 HE2 TYR 11 -28.518 1.139 1.980
91 HE2 TYR 11 HE1 TYR 11 -31.332 1.441 -1.213
92 HH TYR 11 HH TYR 11 -29.182 2.591 -1.033
93 HA PRO 12 HA PRO 12 -35.571 0.452 4.255
94 1HB PRO 12 2HB PRO 12 -33.781 2.644 3.257
95 2HB PRO 12 1HB PRO 12 -34.966 2.680 4.570
96 1HG PRO 12 2HG PRO 12 -32.371 2.445 5.104
97 2HG PRO 12 1HG PRO 12 -33.574 1.531 6.032
98 1HD PRO 12 2HD PRO 12 -31.663 0.583 3.971
99 2HD PRO 12 1HD PRO 12 -32.374 -0.294 5.340
100 H VAL 13 H VAL 13 -36.554 -0.628 2.461
101 HA VAL 13 HA VAL 13 -36.063 -0.234 -0.219
102 HB VAL 13 HB VAL 13 -38.891 -0.451 0.732
103 1HG1 VAL 13 1HG1 VAL 13 -37.304 -1.673 -1.520
104 2HG1 VAL 13 3HG1 VAL 13 -38.975 -2.094 -1.143
105 3HG1 VAL 13 2HG1 VAL 13 -38.571 -0.451 -1.644
106 1HG2 VAL 13 1HG2 VAL 13 -36.750 -2.557 0.975
107 2HG2 VAL 13 3HG2 VAL 13 -37.773 -1.903 2.255
108 3HG2 VAL 13 2HG2 VAL 13 -38.477 -2.917 0.997
109 H SER 14 H SER 14 -35.593 1.822 -0.817
110 HA SER 14 HA SER 14 -37.700 3.515 -1.581
111 1HB SER 14 2HB SER 14 -37.288 5.441 -0.118
112 2HB SER 14 1HB SER 14 -37.786 4.040 0.829
113 HG SER 14 HG SER 14 -36.048 4.767 1.895
114 H LYS 15 H LYS 15 -37.025 4.687 -3.240
115 HA LYS 15 HA LYS 15 -35.686 5.994 -4.565
116 1HB LYS 15 2HB LYS 15 -33.267 5.223 -2.930
117 2HB LYS 15 1HB LYS 15 -33.438 6.555 -4.055
118 1HG LYS 15 2HG LYS 15 -35.328 7.314 -2.412
119 2HG LYS 15 1HG LYS 15 -34.450 6.300 -1.268
120 1HD LYS 15 2HD LYS 15 -32.459 7.586 -1.538
121 2HD LYS 15 1HD LYS 15 -33.142 8.469 -2.905
122 1HE LYS 15 2HE LYS 15 -34.530 9.738 -1.563
123 2HE LYS 15 1HE LYS 15 -34.500 8.565 -0.247
124 1HZ LYS 15 1HZ LYS 15 -31.931 9.721 -0.882
125 2HZ LYS 15 3HZ LYS 15 -33.066 10.835 -0.301
126 3HZ LYS 15 2HZ LYS 15 -32.665 9.475 0.621
127 H CYS 16 H CYS 16 -33.132 3.714 -3.748
128 HA CYS 16 HA CYS 16 -31.891 2.522 -5.335
129 1HB CYS 16 2HB CYS 16 -34.099 1.214 -4.138
130 2HB CYS 16 1HB CYS 16 -33.987 0.603 -5.783
131 H GLN 17 H GLN 17 -31.526 3.550 -7.229
132 HA GLN 17 HA GLN 17 -33.510 3.187 -9.379
133 1HB GLN 17 2HB GLN 17 -31.665 5.495 -8.782
134 2HB GLN 17 1HB GLN 17 -32.348 5.249 -10.383
135 1HG GLN 17 2HG GLN 17 -34.610 5.165 -9.058
136 2HG GLN 17 1HG GLN 17 -33.681 6.051 -7.850
137 1HE2 GLN 17 2HE2 GLN 17 -34.748 8.921 -9.512
138 2HE2 GLN 17 1HE2 GLN 17 -34.872 7.926 -8.106
139 H LEU 18 H LEU 18 -31.851 1.149 -8.951
140 HA LEU 18 HA LEU 18 -30.025 -0.045 -9.709
141 1HB LEU 18 2HB LEU 18 -31.334 1.138 -12.132
142 2HB LEU 18 1HB LEU 18 -30.037 -0.036 -12.264
143 HG LEU 18 HG LEU 18 -32.509 -0.644 -10.671
144 1HD1 LEU 18 2HD1 LEU 18 -32.148 -0.686 -13.638
145 2HD1 LEU 18 1HD1 LEU 18 -33.182 -1.877 -12.849
146 3HD1 LEU 18 3HD1 LEU 18 -33.534 -0.157 -12.684
147 1HD2 LEU 18 1HD2 LEU 18 -30.436 -2.316 -12.085
148 2HD2 LEU 18 3HD2 LEU 18 -30.662 -2.147 -10.344
149 3HD2 LEU 18 2HD2 LEU 18 -31.886 -2.961 -11.318
150 H ALA 19 H ALA 19 -28.285 1.036 -8.821
151 HA ALA 19 HA ALA 19 -26.064 1.658 -9.318
152 1HB ALA 19 3HB ALA 19 -26.707 1.869 -11.778
153 2HB ALA 19 2HB ALA 19 -27.064 3.561 -11.414
154 3HB ALA 19 1HB ALA 19 -25.437 2.932 -11.177
155 H ASN 20 H ASN 20 -24.905 3.400 -8.508
156 HA ASN 20 HA ASN 20 -24.520 5.394 -7.488
157 1HB ASN 20 2HB ASN 20 -25.825 7.177 -7.949
158 2HB ASN 20 1HB ASN 20 -26.721 6.069 -8.975
159 1HD2 ASN 20 2HD2 ASN 20 -28.521 7.908 -5.973
160 2HD2 ASN 20 1HD2 ASN 20 -26.971 8.322 -6.613
161 H GLN 21 H GLN 21 -27.812 4.502 -6.388
162 HA GLN 21 HA GLN 21 -27.461 5.076 -3.730
163 1HB GLN 21 2HB GLN 21 -29.218 3.193 -5.221
164 2HB GLN 21 1HB GLN 21 -29.132 2.999 -3.475
165 1HG GLN 21 2HG GLN 21 -29.699 5.659 -4.732
166 2HG GLN 21 1HG GLN 21 -30.975 4.480 -4.433
167 1HE2 GLN 21 2HE2 GLN 21 -29.284 6.559 -1.377
168 2HE2 GLN 21 1HE2 GLN 21 -28.605 6.574 -2.965
169 H CYS 22 H CYS 22 -27.587 1.657 -4.687
170 HA CYS 22 HA CYS 22 -26.198 0.716 -2.473
171 1HB CYS 22 2HB CYS 22 -25.888 -0.758 -5.044
172 2HB CYS 22 1HB CYS 22 -26.327 -1.359 -3.447
173 H ASN 23 H ASN 23 -25.012 1.752 -5.619
174 HA ASN 23 HA ASN 23 -22.362 0.929 -5.429
175 1HB ASN 23 2HB ASN 23 -23.460 1.917 -7.454
176 2HB ASN 23 1HB ASN 23 -23.338 3.498 -6.693
177 1HD2 ASN 23 2HD2 ASN 23 -20.083 4.032 -7.683
178 2HD2 ASN 23 1HD2 ASN 23 -21.554 4.636 -7.009
179 H TYR 24 H TYR 24 -23.120 4.357 -5.196
180 HA TYR 24 HA TYR 24 -20.916 5.134 -3.779
181 1HB TYR 24 2HB TYR 24 -21.904 7.096 -4.231
182 2HB TYR 24 1HB TYR 24 -23.432 6.286 -4.540
183 HD1 TYR 24 HD1 TYR 24 -21.378 7.059 -1.532
184 HD2 TYR 24 HD2 TYR 24 -25.201 7.197 -3.386
185 HE1 TYR 24 HE1 TYR 24 -22.304 8.097 0.482
186 HE2 TYR 24 HE2 TYR 24 -26.146 8.245 -1.371
187 HH TYR 24 HH TYR 24 -25.733 8.578 0.899
188 H ASP 25 H ASP 25 -24.045 4.121 -2.401
189 HA ASP 25 HA ASP 25 -23.508 4.596 0.266
190 1HB ASP 25 2HB ASP 25 -25.091 2.343 -0.982
191 2HB ASP 25 1HB ASP 25 -25.114 2.727 0.738
192 H CYS 26 H CYS 26 -23.179 1.368 -1.231
193 HA CYS 26 HA CYS 26 -21.735 0.249 0.867
194 1HB CYS 26 2HB CYS 26 -21.381 -0.458 -2.052
195 2HB CYS 26 1HB CYS 26 -21.116 -1.505 -0.661
196 H LYS 27 H LYS 27 -20.706 2.150 -1.887
197 HA LYS 27 HA LYS 27 -17.937 1.792 -1.675
198 1HB LYS 27 2HB LYS 27 -19.368 2.952 -3.514
199 2HB LYS 27 1HB LYS 27 -19.153 4.395 -2.540
200 1HG LYS 27 2HG LYS 27 -16.929 4.565 -3.027
201 2HG LYS 27 1HG LYS 27 -16.736 2.829 -3.278
202 1HD LYS 27 2HD LYS 27 -17.397 2.928 -5.458
203 2HD LYS 27 1HD LYS 27 -18.506 4.270 -5.175
204 1HE LYS 27 2HE LYS 27 -16.625 4.959 -6.568
205 2HE LYS 27 1HE LYS 27 -16.617 5.809 -5.024
206 1HZ LYS 27 3HZ LYS 27 -15.111 3.431 -4.816
207 2HZ LYS 27 2HZ LYS 27 -14.563 4.323 -6.145
208 3HZ LYS 27 1HZ LYS 27 -14.602 5.031 -4.609
209 H LEU 28 H LEU 28 -19.810 2.797 0.745
210 HA LEU 28 HA LEU 28 -17.628 4.132 2.080
211 1HB LEU 28 2HB LEU 28 -18.757 5.945 0.781
212 2HB LEU 28 1HB LEU 28 -20.218 5.628 1.697
213 HG LEU 28 HG LEU 28 -18.947 6.195 3.782
214 1HD1 LEU 28 1HD1 LEU 28 -16.825 6.712 1.750
215 2HD1 LEU 28 3HD1 LEU 28 -16.896 7.698 3.211
216 3HD1 LEU 28 2HD1 LEU 28 -16.703 5.949 3.334
217 1HD2 LEU 28 1HD2 LEU 28 -20.428 7.776 2.508
218 2HD2 LEU 28 3HD2 LEU 28 -19.192 8.541 3.507
219 3HD2 LEU 28 2HD2 LEU 28 -18.968 8.427 1.762
220 H ASP 29 H ASP 29 -20.956 3.004 2.102
221 HA ASP 29 HA ASP 29 -21.293 3.128 4.930
222 1HB ASP 29 2HB ASP 29 -22.748 1.470 2.855
223 2HB ASP 29 1HB ASP 29 -23.258 1.669 4.529
224 H LYS 30 H LYS 30 -20.782 0.399 2.707
225 HA LYS 30 HA LYS 30 -19.783 -1.205 4.957
226 1HB LYS 30 2HB LYS 30 -21.252 -1.804 2.478
227 2HB LYS 30 1HB LYS 30 -19.952 -2.934 2.827
228 1HG LYS 30 2HG LYS 30 -22.190 -3.589 3.708
229 2HG LYS 30 1HG LYS 30 -20.907 -3.519 4.918
230 1HD LYS 30 2HD LYS 30 -21.783 -1.649 5.933
231 2HD LYS 30 1HD LYS 30 -22.595 -1.103 4.466
232 1HE LYS 30 2HE LYS 30 -24.451 -2.339 4.883
233 2HE LYS 30 1HE LYS 30 -23.534 -3.672 5.582
234 1HZ LYS 30 2HZ LYS 30 -23.290 -1.486 7.295
235 2HZ LYS 30 1HZ LYS 30 -24.929 -1.635 6.909
236 3HZ LYS 30 3HZ LYS 30 -24.095 -2.946 7.576
237 H HIS 31 H HIS 31 -18.353 0.935 3.364
238 HA HIS 31 HA HIS 31 -16.405 1.230 2.158
239 1HB HIS 31 2HB HIS 31 -14.530 -0.161 3.460
240 2HB HIS 31 1HB HIS 31 -15.314 1.245 4.169
241 HD1 HIS 31 HD1 HIS 31 -14.642 -2.258 4.785
242 HD2 HIS 31 HD2 HIS 31 -17.529 0.488 5.960
243 HE1 HIS 31 HE1 HIS 31 -15.741 -3.264 6.811
244 HE2 HIS 31 HE2 HIS 31 -17.394 -1.524 7.578
245 H ALA 32 H ALA 32 -17.923 -0.537 0.744
246 HA ALA 32 HA ALA 32 -16.335 -2.880 0.111
247 1HB ALA 32 1HB ALA 32 -18.937 -2.651 0.130
248 2HB ALA 32 3HB ALA 32 -18.705 -2.014 -1.496
249 3HB ALA 32 2HB ALA 32 -18.152 -3.640 -1.097
250 H ARG 33 H ARG 33 -17.519 -2.296 -2.764
251 HA ARG 33 HA ARG 33 -15.473 -0.407 -3.679
252 1HB ARG 33 2HB ARG 33 -15.794 -3.256 -4.608
253 2HB ARG 33 1HB ARG 33 -15.069 -2.031 -5.633
254 1HG ARG 33 2HG ARG 33 -13.637 -1.693 -3.348
255 2HG ARG 33 1HG ARG 33 -13.967 -3.423 -3.285
256 1HD ARG 33 2HD ARG 33 -12.984 -3.736 -5.465
257 2HD ARG 33 1HD ARG 33 -12.789 -1.996 -5.667
258 HE ARG 33 HE ARG 33 -11.029 -2.035 -4.101
259 1HH1 ARG 33 1HH2 ARG 33 -12.325 -5.205 -4.754
260 2HH1 ARG 33 2HH2 ARG 33 -10.932 -6.036 -4.148
261 1HH2 ARG 33 2HH1 ARG 33 -9.199 -3.122 -3.298
262 2HH2 ARG 33 1HH1 ARG 33 -9.157 -4.853 -3.316
263 H SER 34 H SER 34 -18.443 -2.157 -4.194
264 HA SER 34 HA SER 34 -19.578 -0.004 -5.667
265 1HB SER 34 2HB SER 34 -20.058 -1.554 -7.710
266 2HB SER 34 1HB SER 34 -18.494 -0.748 -7.597
267 HG SER 34 HG SER 34 -18.192 -2.926 -8.077
268 H GLY 35 H GLY 35 -21.633 -1.356 -6.979
269 1HA GLY 35 2HA GLY 35 -22.865 -3.428 -5.591
270 2HA GLY 35 1HA GLY 35 -23.360 -1.934 -4.809
271 H GLU 36 H GLU 36 -25.485 -2.908 -5.590
272 HA GLU 36 HA GLU 36 -26.486 -1.334 -7.681
273 1HB GLU 36 2HB GLU 36 -25.266 -3.811 -8.521
274 2HB GLU 36 1HB GLU 36 -26.982 -3.840 -8.902
275 1HG GLU 36 2HG GLU 36 -26.820 -1.968 -10.293
276 2HG GLU 36 1HG GLU 36 -25.248 -1.510 -9.643
277 H CYS 37 H CYS 37 -28.760 -1.614 -8.022
278 HA CYS 37 HA CYS 37 -30.081 -2.760 -5.708
279 1HB CYS 37 2HB CYS 37 -31.094 -1.127 -8.038
280 2HB CYS 37 1HB CYS 37 -32.132 -1.730 -6.759
281 H PHE 38 H PHE 38 -30.100 -4.961 -5.908
282 HA PHE 38 HA PHE 38 -31.314 -6.094 -8.348
283 1HB PHE 38 2HB PHE 38 -29.355 -7.182 -6.354
284 2HB PHE 38 1HB PHE 38 -30.346 -8.282 -7.306
285 HD1 PHE 38 HD1 PHE 38 -30.181 -8.227 -9.801
286 HD2 PHE 38 HD2 PHE 38 -27.481 -6.106 -7.286
287 HE1 PHE 38 HE1 PHE 38 -28.590 -8.038 -11.670
288 HE2 PHE 38 HE2 PHE 38 -25.886 -5.916 -9.151
289 HZ PHE 38 HZ PHE 38 -26.441 -6.882 -11.345
290 H TYR 39 H TYR 39 -32.685 -8.018 -8.031
291 HA TYR 39 HA TYR 39 -34.611 -7.522 -5.916
292 1HB TYR 39 2HB TYR 39 -34.588 -9.127 -8.435
293 2HB TYR 39 1HB TYR 39 -35.772 -9.500 -7.191
294 HD1 TYR 39 HD1 TYR 39 -37.379 -7.712 -6.464
295 HD2 TYR 39 HD2 TYR 39 -34.869 -7.273 -9.868
296 HE1 TYR 39 HE1 TYR 39 -38.833 -5.908 -7.298
297 HE2 TYR 39 HE2 TYR 39 -36.313 -5.470 -10.710
298 HH TYR 39 HH TYR 39 -38.191 -3.735 -9.151
299 H ASP 40 H ASP 40 -32.066 -9.705 -6.644
300 HA ASP 40 HA ASP 40 -31.304 -11.621 -5.674
301 1HB ASP 40 2HB ASP 40 -31.716 -11.504 -3.037
302 2HB ASP 40 1HB ASP 40 -30.543 -10.474 -3.848
303 H GLU 41 H GLU 41 -31.883 -13.483 -4.137
304 HA GLU 41 HA GLU 41 -34.242 -14.680 -5.106
305 1HB GLU 41 2HB GLU 41 -32.856 -15.664 -2.638
306 2HB GLU 41 1HB GLU 41 -33.600 -16.589 -3.933
307 1HG GLU 41 2HG GLU 41 -31.051 -15.009 -4.188
308 2HG GLU 41 1HG GLU 41 -31.148 -16.747 -3.914
309 H LYS 42 H LYS 42 -34.975 -12.227 -3.860
310 HA LYS 42 HA LYS 42 -36.855 -13.279 -1.882
311 1HB LYS 42 2HB LYS 42 -35.004 -10.947 -1.382
312 2HB LYS 42 1HB LYS 42 -36.414 -11.310 -0.394
313 1HG LYS 42 2HG LYS 42 -35.268 -13.673 -0.219
314 2HG LYS 42 1HG LYS 42 -33.819 -12.742 -0.598
315 1HD LYS 42 2HD LYS 42 -35.718 -12.276 1.699
316 2HD LYS 42 1HD LYS 42 -34.076 -12.913 1.799
317 1HE LYS 42 2HE LYS 42 -33.617 -10.585 0.496
318 2HE LYS 42 1HE LYS 42 -35.017 -10.135 1.472
319 1HZ LYS 42 2HZ LYS 42 -32.803 -11.561 2.761
320 2HZ LYS 42 1HZ LYS 42 -32.604 -9.919 2.405
321 3HZ LYS 42 3HZ LYS 42 -33.870 -10.420 3.409
322 H ARG 43 H ARG 43 -36.334 -11.521 -4.616
323 HA ARG 43 HA ARG 43 -37.440 -9.846 -5.704
324 1HB ARG 43 2HB ARG 43 -39.323 -11.895 -4.812
325 2HB ARG 43 1HB ARG 43 -40.119 -10.359 -5.109
326 1HG ARG 43 2HG ARG 43 -38.745 -10.468 -7.364
327 2HG ARG 43 1HG ARG 43 -38.766 -12.197 -7.011
328 1HD ARG 43 2HD ARG 43 -40.683 -11.947 -8.262
329 2HD ARG 43 1HD ARG 43 -41.309 -11.797 -6.620
330 HE ARG 43 HE ARG 43 -40.582 -9.325 -7.967
331 1HH1 ARG 43 1HH2 ARG 43 -43.093 -11.553 -7.052
332 2HH1 ARG 43 2HH2 ARG 43 -44.368 -10.396 -7.239
333 1HH2 ARG 43 2HH1 ARG 43 -42.248 -7.791 -8.211
334 2HH2 ARG 43 1HH1 ARG 43 -43.887 -8.254 -7.897
335 H ASN 44 H ASN 44 -36.436 -8.425 -3.961
336 HA ASN 44 HA ASN 44 -38.595 -6.825 -2.785
337 1HB ASN 44 2HB ASN 44 -36.498 -8.274 -1.321
338 2HB ASN 44 1HB ASN 44 -36.618 -6.575 -0.876
339 1HD2 ASN 44 2HD2 ASN 44 -39.523 -9.221 0.135
340 2HD2 ASN 44 1HD2 ASN 44 -38.263 -9.640 -0.970
341 H LEU 45 H LEU 45 -36.054 -6.895 -4.815
342 HA LEU 45 HA LEU 45 -34.657 -5.318 -5.715
343 1HB LEU 45 2HB LEU 45 -37.102 -4.410 -5.897
344 2HB LEU 45 1HB LEU 45 -36.562 -3.238 -4.712
345 HG LEU 45 HG LEU 45 -36.514 -2.496 -7.124
346 1HD1 LEU 45 2HD1 LEU 45 -33.938 -2.410 -5.571
347 2HD1 LEU 45 1HD1 LEU 45 -34.374 -1.339 -6.903
348 3HD1 LEU 45 3HD1 LEU 45 -35.302 -1.306 -5.403
349 1HD2 LEU 45 2HD2 LEU 45 -35.460 -4.801 -7.784
350 2HD2 LEU 45 1HD2 LEU 45 -35.025 -3.332 -8.654
351 3HD2 LEU 45 3HD2 LEU 45 -33.943 -3.976 -7.418
352 H GLN 46 H GLN 46 -33.360 -6.011 -3.691
353 HA GLN 46 HA GLN 46 -32.986 -3.815 -1.804
354 1HB GLN 46 2HB GLN 46 -31.813 -6.598 -1.871
355 2HB GLN 46 1HB GLN 46 -31.496 -5.406 -0.618
356 1HG GLN 46 2HG GLN 46 -33.677 -5.507 0.199
357 2HG GLN 46 1HG GLN 46 -34.285 -6.278 -1.265
358 1HE2 GLN 46 2HE2 GLN 46 -31.867 -8.929 0.504
359 2HE2 GLN 46 1HE2 GLN 46 -31.307 -7.497 -0.287
360 H CYS 47 H CYS 47 -30.655 -3.384 -1.162
361 HA CYS 47 HA CYS 47 -29.156 -2.808 -3.605
362 1HB CYS 47 2HB CYS 47 -29.479 -1.512 -0.992
363 2HB CYS 47 1HB CYS 47 -27.817 -1.517 -1.574
364 H ILE 48 H ILE 48 -27.634 -4.169 -4.191
365 HA ILE 48 HA ILE 48 -26.342 -5.891 -2.238
366 HB ILE 48 HB ILE 48 -26.455 -5.879 -5.233
367 1HG1 ILE 48 2HG1 ILE 48 -26.971 -8.011 -3.147
368 2HG1 ILE 48 1HG1 ILE 48 -28.209 -7.023 -3.915
369 1HG2 ILE 48 2HG2 ILE 48 -24.334 -7.063 -3.515
370 2HG2 ILE 48 1HG2 ILE 48 -24.897 -7.985 -4.908
371 3HG2 ILE 48 3HG2 ILE 48 -24.222 -6.372 -5.133
372 1HD1 ILE 48 2HD1 ILE 48 -27.129 -8.032 -6.107
373 2HD1 ILE 48 1HD1 ILE 48 -26.665 -9.311 -4.985
374 3HD1 ILE 48 3HD1 ILE 48 -28.365 -8.890 -5.189
375 H CYS 49 H CYS 49 -24.320 -5.676 -1.533
376 HA CYS 49 HA CYS 49 -22.724 -3.421 -2.537
377 1HB CYS 49 2HB CYS 49 -22.611 -4.986 0.046
378 2HB CYS 49 1HB CYS 49 -21.430 -3.761 -0.407
379 H ASP 50 H ASP 50 -21.262 -3.942 -4.024
380 HA ASP 50 HA ASP 50 -20.079 -6.617 -4.050
381 1HB ASP 50 2HB ASP 50 -21.029 -5.389 -6.125
382 2HB ASP 50 1HB ASP 50 -19.533 -4.463 -6.078
383 H TYR 51 H TYR 51 -17.823 -6.958 -4.137
384 HA TYR 51 HA TYR 51 -16.214 -4.756 -3.007
385 1HB TYR 51 2HB TYR 51 -16.275 -7.673 -2.299
386 2HB TYR 51 1HB TYR 51 -14.954 -6.612 -1.819
387 HD1 TYR 51 HD1 TYR 51 -18.648 -7.012 -1.574
388 HD2 TYR 51 HD2 TYR 51 -15.130 -5.347 0.144
389 HE1 TYR 51 HE1 TYR 51 -19.946 -6.314 0.392
390 HE2 TYR 51 HE2 TYR 51 -16.420 -4.645 2.118
391 HH TYR 51 HH TYR 51 -18.693 -4.177 2.762
392 H CYS 52 H CYS 52 -16.312 -7.478 -5.233
393 HA CYS 52 HA CYS 52 -13.505 -7.080 -5.943
394 1HB CYS 52 2HB CYS 52 -15.552 -9.159 -6.677
395 2HB CYS 52 1HB CYS 52 -14.061 -8.996 -7.591
396 H GLU 53 H GLU 53 -15.577 -8.136 -8.451
397 HA GLU 53 HA GLU 53 -14.771 -6.632 -10.474
398 1HB GLU 53 2HB GLU 53 -16.475 -8.208 -10.911
399 2HB GLU 53 1HB GLU 53 -17.600 -7.417 -9.814
400 1HG GLU 53 2HG GLU 53 -18.121 -5.764 -11.317
401 2HG GLU 53 1HG GLU 53 -16.595 -5.924 -12.185
402 H TYR 54 HN TYR 54 -14.295 -4.555 -10.619
403 HA TYR 54 HA TYR 54 -15.129 -2.494 -9.014
404 1HB TYR 54 2HB TYR 54 -14.067 -2.593 -11.811
405 2HB TYR 54 1HB TYR 54 -14.617 -1.054 -11.157
406 HD1 TYR 54 HD1 TYR 54 -13.575 -0.235 -8.988
407 HD2 TYR 54 HD2 TYR 54 -11.944 -3.433 -11.271
408 HE1 TYR 54 HE1 TYR 54 -11.423 0.053 -7.842
409 HE2 TYR 54 HE2 TYR 54 -9.784 -3.151 -10.132
410 HH TYR 54 HH TYR 54 -9.042 -0.439 -8.229
No H/Q in entry = 410
Start of MODEL 34
1 HN PCA 1 HN PCA 1 -16.859 -19.270 -2.301
2 HA PCA 1 HA PCA 1 -17.691 -17.668 -0.472
3 1HB PCA 1 1HB PCA 1 -16.933 -18.064 1.624
4 2HB PCA 1 2HB PCA 1 -15.243 -17.879 1.099
5 1HG PCA 1 1HG PCA 1 -16.785 -20.330 1.509
6 2HG PCA 1 2HG PCA 1 -15.053 -20.155 1.170
7 H ASP 2 H ASP 2 -15.808 -15.893 0.558
8 HA ASP 2 HA ASP 2 -14.420 -14.179 0.004
9 1HB ASP 2 2HB ASP 2 -12.982 -16.135 -0.851
10 2HB ASP 2 1HB ASP 2 -13.561 -15.697 -2.454
11 H LYS 3 H LYS 3 -15.045 -15.308 -3.297
12 HA LYS 3 HA LYS 3 -15.712 -14.021 -5.104
13 1HB LYS 3 2HB LYS 3 -17.729 -15.211 -3.896
14 2HB LYS 3 1HB LYS 3 -18.221 -13.558 -3.551
15 1HG LYS 3 2HG LYS 3 -19.298 -13.757 -5.525
16 2HG LYS 3 1HG LYS 3 -17.717 -13.343 -6.187
17 1HD LYS 3 2HD LYS 3 -17.207 -15.717 -6.473
18 2HD LYS 3 1HD LYS 3 -18.774 -16.142 -5.784
19 1HE LYS 3 2HE LYS 3 -19.693 -14.599 -7.689
20 2HE LYS 3 1HE LYS 3 -18.128 -14.924 -8.432
21 1HZ LYS 3 1HZ LYS 3 -20.091 -16.982 -7.573
22 2HZ LYS 3 3HZ LYS 3 -19.803 -16.499 -9.170
23 3HZ LYS 3 2HZ LYS 3 -18.593 -17.291 -8.293
24 H CYS 4 H CYS 4 -17.733 -11.968 -5.089
25 HA CYS 4 HA CYS 4 -16.563 -9.800 -3.552
26 1HB CYS 4 2HB CYS 4 -16.548 -9.863 -6.571
27 2HB CYS 4 1HB CYS 4 -16.285 -8.400 -5.624
28 H LYS 5 H LYS 5 -19.044 -10.868 -3.204
29 HA LYS 5 HA LYS 5 -20.743 -8.617 -3.944
30 1HB LYS 5 2HB LYS 5 -21.313 -10.074 -5.708
31 2HB LYS 5 1HB LYS 5 -21.301 -11.487 -4.665
32 1HG LYS 5 2HG LYS 5 -23.279 -9.262 -4.297
33 2HG LYS 5 1HG LYS 5 -23.556 -10.568 -5.443
34 1HD LYS 5 2HD LYS 5 -22.894 -11.967 -3.190
35 2HD LYS 5 1HD LYS 5 -23.709 -10.565 -2.499
36 1HE LYS 5 2HE LYS 5 -25.662 -10.988 -3.867
37 2HE LYS 5 1HE LYS 5 -24.846 -12.332 -4.662
38 1HZ LYS 5 3HZ LYS 5 -24.707 -12.831 -1.943
39 2HZ LYS 5 2HZ LYS 5 -26.292 -12.321 -2.233
40 3HZ LYS 5 1HZ LYS 5 -25.659 -13.636 -3.087
41 H LYS 6 H LYS 6 -22.007 -7.991 -2.295
42 HA LYS 6 HA LYS 6 -22.819 -9.900 -0.259
43 1HB LYS 6 2HB LYS 6 -20.492 -8.755 0.263
44 2HB LYS 6 1HB LYS 6 -21.512 -7.412 0.761
45 1HG LYS 6 2HG LYS 6 -22.711 -8.970 2.285
46 2HG LYS 6 1HG LYS 6 -21.532 -10.212 1.862
47 1HD LYS 6 2HD LYS 6 -20.538 -7.570 2.816
48 2HD LYS 6 1HD LYS 6 -21.218 -8.693 3.995
49 1HE LYS 6 2HE LYS 6 -18.856 -9.051 3.902
50 2HE LYS 6 1HE LYS 6 -19.650 -10.431 3.145
51 1HZ LYS 6 3HZ LYS 6 -18.788 -8.191 1.457
52 2HZ LYS 6 2HZ LYS 6 -17.622 -9.280 2.015
53 3HZ LYS 6 1HZ LYS 6 -18.916 -9.836 1.079
54 H VAL 7 H VAL 7 -24.930 -9.560 -0.076
55 HA VAL 7 HA VAL 7 -26.225 -7.197 -0.889
56 HB VAL 7 HB VAL 7 -28.218 -8.226 -0.439
57 1HG1 VAL 7 3HG1 VAL 7 -26.854 -9.685 -1.868
58 2HG1 VAL 7 2HG1 VAL 7 -26.331 -10.577 -0.438
59 3HG1 VAL 7 1HG1 VAL 7 -28.029 -10.592 -0.916
60 1HG2 VAL 7 2HG2 VAL 7 -26.871 -9.403 1.969
61 2HG2 VAL 7 1HG2 VAL 7 -28.298 -8.367 1.883
62 3HG2 VAL 7 3HG2 VAL 7 -28.397 -10.051 1.369
63 H TYR 8 H TYR 8 -26.744 -5.366 0.145
64 HA TYR 8 HA TYR 8 -25.625 -4.854 2.718
65 1HB TYR 8 2HB TYR 8 -25.890 -3.170 0.861
66 2HB TYR 8 1HB TYR 8 -27.608 -3.150 1.206
67 HD1 TYR 8 HD1 TYR 8 -26.424 -3.509 4.383
68 HD2 TYR 8 HD2 TYR 8 -26.322 -0.654 1.223
69 HE1 TYR 8 HE1 TYR 8 -26.059 -1.724 6.014
70 HE2 TYR 8 HE2 TYR 8 -25.948 1.140 2.858
71 HH TYR 8 HH TYR 8 -25.046 1.375 5.162
72 H GLU 9 H GLU 9 -26.904 -6.819 3.526
73 HA GLU 9 HA GLU 9 -28.775 -7.750 4.535
74 1HB GLU 9 2HB GLU 9 -28.654 -5.288 6.232
75 2HB GLU 9 1HB GLU 9 -28.865 -6.963 6.721
76 1HG GLU 9 2HG GLU 9 -26.452 -7.244 5.781
77 2HG GLU 9 1HG GLU 9 -26.375 -5.496 6.005
78 H ASN 10 H ASN 10 -30.671 -6.352 6.147
79 HA ASN 10 HA ASN 10 -32.799 -6.110 4.365
80 1HB ASN 10 2HB ASN 10 -32.649 -6.426 7.001
81 2HB ASN 10 1HB ASN 10 -32.948 -4.691 6.981
82 1HD2 ASN 10 2HD2 ASN 10 -36.084 -5.363 5.077
83 2HD2 ASN 10 1HD2 ASN 10 -34.580 -4.605 4.691
84 H TYR 11 H TYR 11 -30.972 -4.443 3.177
85 HA TYR 11 HA TYR 11 -31.023 -1.746 3.783
86 1HB TYR 11 2HB TYR 11 -29.645 -2.677 1.991
87 2HB TYR 11 1HB TYR 11 -31.078 -3.034 1.041
88 HD1 TYR 11 HD2 TYR 11 -32.322 -1.216 -0.045
89 HD2 TYR 11 HD1 TYR 11 -28.751 -0.453 2.135
90 HE1 TYR 11 HE2 TYR 11 -32.165 1.006 -1.088
91 HE2 TYR 11 HE1 TYR 11 -28.582 1.769 1.097
92 HH TYR 11 HH TYR 11 -29.402 2.876 -1.029
93 HA PRO 12 HA PRO 12 -35.276 -0.395 3.384
94 1HB PRO 12 2HB PRO 12 -34.176 1.799 1.679
95 2HB PRO 12 1HB PRO 12 -35.283 1.891 3.053
96 1HG PRO 12 2HG PRO 12 -32.721 2.558 3.318
97 2HG PRO 12 1HG PRO 12 -33.580 1.694 4.607
98 1HD PRO 12 2HD PRO 12 -31.553 0.692 2.679
99 2HD PRO 12 1HD PRO 12 -31.877 0.192 4.350
100 H VAL 13 H VAL 13 -35.866 1.294 0.931
101 HA VAL 13 HA VAL 13 -35.441 -0.165 -1.412
102 HB VAL 13 HB VAL 13 -36.984 -1.740 0.065
103 1HG1 VAL 13 3HG1 VAL 13 -38.695 0.120 0.290
104 2HG1 VAL 13 2HG1 VAL 13 -39.098 -0.195 -1.398
105 3HG1 VAL 13 1HG1 VAL 13 -39.296 -1.467 -0.193
106 1HG2 VAL 13 1HG2 VAL 13 -37.224 -1.215 -2.884
107 2HG2 VAL 13 3HG2 VAL 13 -36.244 -2.431 -2.064
108 3HG2 VAL 13 2HG2 VAL 13 -38.001 -2.582 -2.089
109 H SER 14 H SER 14 -37.176 2.164 0.408
110 HA SER 14 HA SER 14 -38.897 3.174 -1.575
111 1HB SER 14 2HB SER 14 -39.237 5.018 -0.140
112 2HB SER 14 1HB SER 14 -38.887 3.670 0.942
113 HG SER 14 HG SER 14 -36.582 4.798 0.277
114 H LYS 15 H LYS 15 -35.929 2.745 -2.278
115 HA LYS 15 HA LYS 15 -35.734 4.847 -4.139
116 1HB LYS 15 2HB LYS 15 -35.067 5.829 -1.756
117 2HB LYS 15 1HB LYS 15 -33.514 5.120 -2.172
118 1HG LYS 15 2HG LYS 15 -33.755 6.390 -4.389
119 2HG LYS 15 1HG LYS 15 -35.011 7.311 -3.557
120 1HD LYS 15 2HD LYS 15 -33.360 7.842 -1.775
121 2HD LYS 15 1HD LYS 15 -32.120 7.034 -2.740
122 1HE LYS 15 2HE LYS 15 -33.232 9.711 -3.014
123 2HE LYS 15 1HE LYS 15 -31.761 9.028 -3.708
124 1HZ LYS 15 3HZ LYS 15 -33.411 7.866 -5.301
125 2HZ LYS 15 2HZ LYS 15 -34.484 9.082 -4.819
126 3HZ LYS 15 1HZ LYS 15 -33.019 9.493 -5.556
127 H CYS 16 H CYS 16 -35.096 3.528 -5.713
128 HA CYS 16 HA CYS 16 -32.453 2.718 -6.002
129 1HB CYS 16 2HB CYS 16 -33.980 0.890 -4.410
130 2HB CYS 16 1HB CYS 16 -33.606 0.102 -5.940
131 H GLN 17 H GLN 17 -32.340 3.118 -8.081
132 HA GLN 17 HA GLN 17 -34.334 1.885 -9.865
133 1HB GLN 17 2HB GLN 17 -33.120 4.645 -10.085
134 2HB GLN 17 1HB GLN 17 -34.091 3.883 -11.339
135 1HG GLN 17 2HG GLN 17 -35.276 4.046 -8.630
136 2HG GLN 17 1HG GLN 17 -35.118 5.551 -9.533
137 1HE2 GLN 17 2HE2 GLN 17 -37.718 2.655 -10.763
138 2HE2 GLN 17 1HE2 GLN 17 -36.429 2.283 -9.676
139 H LEU 18 H LEU 18 -31.103 3.426 -9.832
140 HA LEU 18 HA LEU 18 -29.753 1.230 -10.870
141 1HB LEU 18 2HB LEU 18 -31.142 2.847 -12.846
142 2HB LEU 18 1HB LEU 18 -29.419 2.770 -13.174
143 HG LEU 18 HG LEU 18 -30.864 0.241 -12.579
144 1HD1 LEU 18 3HD1 LEU 18 -32.296 1.362 -14.216
145 2HD1 LEU 18 2HD1 LEU 18 -30.900 1.612 -15.265
146 3HD1 LEU 18 1HD1 LEU 18 -31.468 -0.023 -14.928
147 1HD2 LEU 18 1HD2 LEU 18 -28.555 0.998 -14.358
148 2HD2 LEU 18 3HD2 LEU 18 -28.471 0.160 -12.810
149 3HD2 LEU 18 2HD2 LEU 18 -29.213 -0.631 -14.200
150 H ALA 19 H ALA 19 -28.260 1.916 -9.307
151 HA ALA 19 HA ALA 19 -26.081 2.719 -9.054
152 1HB ALA 19 2HB ALA 19 -26.301 3.575 -11.475
153 2HB ALA 19 1HB ALA 19 -26.665 5.127 -10.719
154 3HB ALA 19 3HB ALA 19 -25.126 4.329 -10.400
155 H ASN 20 H ASN 20 -25.095 4.816 -8.184
156 HA ASN 20 HA ASN 20 -25.050 6.474 -6.651
157 1HB ASN 20 2HB ASN 20 -27.142 7.207 -8.090
158 2HB ASN 20 1HB ASN 20 -28.018 6.788 -6.621
159 1HD2 ASN 20 2HD2 ASN 20 -26.021 9.269 -4.746
160 2HD2 ASN 20 1HD2 ASN 20 -26.216 7.553 -4.700
161 H GLN 21 H GLN 21 -28.260 5.220 -5.831
162 HA GLN 21 HA GLN 21 -28.103 5.212 -3.157
163 1HB GLN 21 2HB GLN 21 -29.430 3.316 -5.047
164 2HB GLN 21 1HB GLN 21 -29.484 2.975 -3.323
165 1HG GLN 21 2HG GLN 21 -31.456 4.198 -4.160
166 2HG GLN 21 1HG GLN 21 -30.593 5.043 -2.879
167 1HE2 GLN 21 2HE2 GLN 21 -29.473 7.673 -4.969
168 2HE2 GLN 21 1HE2 GLN 21 -29.062 6.723 -3.586
169 H CYS 22 H CYS 22 -27.788 1.972 -4.521
170 HA CYS 22 HA CYS 22 -26.291 0.975 -2.393
171 1HB CYS 22 2HB CYS 22 -25.974 -0.244 -5.103
172 2HB CYS 22 1HB CYS 22 -26.229 -1.024 -3.544
173 H ASN 23 H ASN 23 -25.209 2.290 -5.494
174 HA ASN 23 HA ASN 23 -22.540 1.590 -5.417
175 1HB ASN 23 2HB ASN 23 -23.842 2.816 -7.255
176 2HB ASN 23 1HB ASN 23 -23.463 4.293 -6.374
177 1HD2 ASN 23 2HD2 ASN 23 -20.451 4.610 -7.995
178 2HD2 ASN 23 1HD2 ASN 23 -21.878 5.321 -7.329
179 H TYR 24 H TYR 24 -23.653 4.871 -4.545
180 HA TYR 24 HA TYR 24 -21.335 5.679 -3.292
181 1HB TYR 24 2HB TYR 24 -22.627 7.529 -3.426
182 2HB TYR 24 1HB TYR 24 -24.114 6.597 -3.373
183 HD1 TYR 24 HD1 TYR 24 -21.389 7.016 -0.855
184 HD2 TYR 24 HD2 TYR 24 -25.497 7.588 -1.807
185 HE1 TYR 24 HE1 TYR 24 -21.801 7.818 1.430
186 HE2 TYR 24 HE2 TYR 24 -25.919 8.394 0.478
187 HH TYR 24 HH TYR 24 -23.674 8.025 2.999
188 H ASP 25 H ASP 25 -24.226 4.330 -1.680
189 HA ASP 25 HA ASP 25 -23.301 4.330 0.909
190 1HB ASP 25 2HB ASP 25 -25.204 2.582 -0.589
191 2HB ASP 25 1HB ASP 25 -24.721 2.091 1.032
192 H CYS 26 H CYS 26 -23.060 1.520 -1.294
193 HA CYS 26 HA CYS 26 -21.435 0.010 0.377
194 1HB CYS 26 2HB CYS 26 -21.298 0.035 -2.647
195 2HB CYS 26 1HB CYS 26 -20.825 -1.280 -1.578
196 H LYS 27 H LYS 27 -20.670 2.640 -1.785
197 HA LYS 27 HA LYS 27 -17.896 2.344 -1.938
198 1HB LYS 27 2HB LYS 27 -19.577 4.023 -3.103
199 2HB LYS 27 1HB LYS 27 -19.094 5.076 -1.780
200 1HG LYS 27 2HG LYS 27 -17.417 5.696 -3.135
201 2HG LYS 27 1HG LYS 27 -16.676 4.164 -2.671
202 1HD LYS 27 2HD LYS 27 -16.565 4.032 -4.965
203 2HD LYS 27 1HD LYS 27 -18.105 3.224 -4.660
204 1HE LYS 27 2HE LYS 27 -19.250 5.399 -5.063
205 2HE LYS 27 1HE LYS 27 -17.690 6.086 -5.515
206 1HZ LYS 27 1HZ LYS 27 -18.834 3.710 -6.863
207 2HZ LYS 27 3HZ LYS 27 -19.140 5.290 -7.390
208 3HZ LYS 27 2HZ LYS 27 -17.558 4.690 -7.385
209 H LEU 28 H LEU 28 -19.627 2.619 0.840
210 HA LEU 28 HA LEU 28 -17.303 3.308 2.373
211 1HB LEU 28 2HB LEU 28 -18.487 5.495 1.515
212 2HB LEU 28 1HB LEU 28 -19.592 5.170 2.835
213 HG LEU 28 HG LEU 28 -18.032 6.667 3.727
214 1HD1 LEU 28 3HD1 LEU 28 -18.441 4.593 5.082
215 2HD1 LEU 28 2HD1 LEU 28 -16.877 4.007 4.514
216 3HD1 LEU 28 1HD1 LEU 28 -16.971 5.482 5.476
217 1HD2 LEU 28 1HD2 LEU 28 -16.415 6.442 1.847
218 2HD2 LEU 28 3HD2 LEU 28 -15.659 6.557 3.437
219 3HD2 LEU 28 2HD2 LEU 28 -15.781 4.993 2.628
220 H ASP 29 H ASP 29 -20.795 2.782 2.337
221 HA ASP 29 HA ASP 29 -21.082 2.283 5.100
222 1HB ASP 29 2HB ASP 29 -22.775 1.173 2.852
223 2HB ASP 29 1HB ASP 29 -23.252 1.360 4.538
224 H LYS 30 H LYS 30 -19.680 0.441 2.606
225 HA LYS 30 HA LYS 30 -19.365 -1.819 4.436
226 1HB LYS 30 2HB LYS 30 -20.621 -1.922 1.720
227 2HB LYS 30 1HB LYS 30 -19.686 -3.298 2.293
228 1HG LYS 30 2HG LYS 30 -21.840 -2.138 4.005
229 2HG LYS 30 1HG LYS 30 -22.246 -3.231 2.680
230 1HD LYS 30 2HD LYS 30 -20.638 -4.879 3.647
231 2HD LYS 30 1HD LYS 30 -20.445 -3.801 5.031
232 1HE LYS 30 2HE LYS 30 -22.838 -3.982 5.503
233 2HE LYS 30 1HE LYS 30 -23.034 -5.054 4.118
234 1HZ LYS 30 2HZ LYS 30 -21.465 -6.597 5.210
235 2HZ LYS 30 1HZ LYS 30 -21.454 -5.594 6.573
236 3HZ LYS 30 3HZ LYS 30 -22.886 -6.361 6.096
237 H HIS 31 H HIS 31 -17.914 0.455 2.715
238 HA HIS 31 HA HIS 31 -15.874 0.751 1.744
239 1HB HIS 31 2HB HIS 31 -14.715 -1.650 3.039
240 2HB HIS 31 1HB HIS 31 -14.168 0.024 3.071
241 HD1 HIS 31 HD1 HIS 31 -15.638 -2.484 5.170
242 HD2 HIS 31 HD2 HIS 31 -15.913 1.652 4.878
243 HE1 HIS 31 HE1 HIS 31 -16.586 -1.717 7.368
244 HE2 HIS 31 HE2 HIS 31 -16.811 0.781 7.143
245 H ALA 32 H ALA 32 -17.712 -0.789 0.227
246 HA ALA 32 HA ALA 32 -16.209 -2.980 -0.935
247 1HB ALA 32 1HB ALA 32 -18.812 -2.751 -0.560
248 2HB ALA 32 3HB ALA 32 -18.739 -2.004 -2.155
249 3HB ALA 32 2HB ALA 32 -18.156 -3.652 -1.927
250 H ARG 33 H ARG 33 -16.824 -2.881 -3.574
251 HA ARG 33 HA ARG 33 -15.144 -0.665 -4.501
252 1HB ARG 33 2HB ARG 33 -14.426 -2.919 -5.109
253 2HB ARG 33 1HB ARG 33 -15.988 -3.237 -5.851
254 1HG ARG 33 2HG ARG 33 -14.391 -2.772 -7.571
255 2HG ARG 33 1HG ARG 33 -15.534 -1.430 -7.481
256 1HD ARG 33 2HD ARG 33 -12.933 -1.362 -5.992
257 2HD ARG 33 1HD ARG 33 -13.022 -0.899 -7.691
258 HE ARG 33 HE ARG 33 -14.953 0.607 -6.629
259 1HH1 ARG 33 1HH2 ARG 33 -11.677 0.018 -5.608
260 2HH1 ARG 33 2HH2 ARG 33 -11.492 1.571 -4.863
261 1HH2 ARG 33 2HH1 ARG 33 -14.725 2.651 -5.649
262 2HH2 ARG 33 1HH1 ARG 33 -13.229 3.067 -4.881
263 H SER 34 H SER 34 -18.364 -1.817 -4.545
264 HA SER 34 HA SER 34 -19.547 0.460 -5.517
265 1HB SER 34 2HB SER 34 -20.215 -0.498 -7.863
266 2HB SER 34 1HB SER 34 -18.666 0.318 -7.671
267 HG SER 34 HG SER 34 -18.495 -2.332 -7.101
268 H GLY 35 H GLY 35 -21.714 -0.560 -6.993
269 1HA GLY 35 2HA GLY 35 -22.780 -2.958 -5.989
270 2HA GLY 35 1HA GLY 35 -23.305 -1.642 -4.951
271 H GLU 36 H GLU 36 -25.370 -2.684 -5.884
272 HA GLU 36 HA GLU 36 -26.594 -0.814 -7.585
273 1HB GLU 36 2HB GLU 36 -25.233 -2.018 -9.299
274 2HB GLU 36 1HB GLU 36 -26.084 -3.495 -8.880
275 1HG GLU 36 2HG GLU 36 -26.900 -2.320 -10.931
276 2HG GLU 36 1HG GLU 36 -28.130 -2.667 -9.717
277 H CYS 37 H CYS 37 -28.853 -1.325 -7.989
278 HA CYS 37 HA CYS 37 -29.938 -2.928 -5.830
279 1HB CYS 37 2HB CYS 37 -31.570 -1.424 -7.852
280 2HB CYS 37 1HB CYS 37 -31.962 -1.801 -6.181
281 H PHE 38 H PHE 38 -30.860 -4.872 -6.022
282 HA PHE 38 HA PHE 38 -31.888 -5.784 -8.585
283 1HB PHE 38 2HB PHE 38 -29.664 -7.235 -7.134
284 2HB PHE 38 1HB PHE 38 -30.606 -7.923 -8.449
285 HD1 PHE 38 HD1 PHE 38 -30.739 -6.092 -10.528
286 HD2 PHE 38 HD2 PHE 38 -27.555 -6.618 -7.752
287 HE1 PHE 38 HE1 PHE 38 -29.159 -5.155 -12.166
288 HE2 PHE 38 HE2 PHE 38 -25.970 -5.690 -9.386
289 HZ PHE 38 HZ PHE 38 -26.773 -4.952 -11.595
290 H TYR 39 H TYR 39 -32.964 -7.949 -8.358
291 HA TYR 39 HA TYR 39 -34.565 -7.944 -5.955
292 1HB TYR 39 2HB TYR 39 -34.653 -9.769 -8.369
293 2HB TYR 39 1HB TYR 39 -35.846 -9.734 -7.077
294 HD1 TYR 39 HD2 TYR 39 -34.211 -7.280 -9.395
295 HD2 TYR 39 HD1 TYR 39 -37.809 -8.634 -7.561
296 HE1 TYR 39 HE2 TYR 39 -35.474 -5.561 -10.614
297 HE2 TYR 39 HE1 TYR 39 -39.079 -6.921 -8.786
298 HH TYR 39 HH TYR 39 -38.289 -5.507 -11.328
299 H ASP 40 H ASP 40 -35.047 -10.094 -4.873
300 HA ASP 40 HA ASP 40 -32.596 -11.722 -4.655
301 1HB ASP 40 2HB ASP 40 -33.504 -12.005 -2.179
302 2HB ASP 40 1HB ASP 40 -32.484 -10.640 -2.625
303 H GLU 41 H GLU 41 -33.407 -13.215 -6.044
304 HA GLU 41 HA GLU 41 -34.958 -14.765 -6.840
305 1HB GLU 41 2HB GLU 41 -33.783 -15.823 -4.276
306 2HB GLU 41 1HB GLU 41 -34.625 -16.831 -5.445
307 1HG GLU 41 2HG GLU 41 -32.973 -16.356 -7.123
308 2HG GLU 41 1HG GLU 41 -32.172 -15.201 -6.058
309 H LYS 42 H LYS 42 -36.573 -12.864 -5.568
310 HA LYS 42 HA LYS 42 -38.722 -14.591 -4.617
311 1HB LYS 42 2HB LYS 42 -37.380 -13.684 -2.633
312 2HB LYS 42 1HB LYS 42 -38.032 -12.108 -3.063
313 1HG LYS 42 2HG LYS 42 -40.311 -13.520 -2.992
314 2HG LYS 42 1HG LYS 42 -39.362 -14.443 -1.827
315 1HD LYS 42 2HD LYS 42 -39.752 -11.454 -1.719
316 2HD LYS 42 1HD LYS 42 -40.727 -12.615 -0.820
317 1HE LYS 42 2HE LYS 42 -37.809 -12.914 -0.506
318 2HE LYS 42 1HE LYS 42 -38.489 -11.428 0.154
319 1HZ LYS 42 2HZ LYS 42 -40.100 -13.653 0.851
320 2HZ LYS 42 1HZ LYS 42 -38.499 -13.927 1.323
321 3HZ LYS 42 3HZ LYS 42 -39.315 -12.545 1.860
322 H ARG 43 H ARG 43 -38.252 -11.095 -4.482
323 HA ARG 43 HA ARG 43 -39.313 -10.168 -6.767
324 1HB ARG 43 2HB ARG 43 -41.410 -11.473 -5.187
325 2HB ARG 43 1HB ARG 43 -41.812 -9.821 -5.618
326 1HG ARG 43 2HG ARG 43 -41.867 -10.257 -7.863
327 2HG ARG 43 1HG ARG 43 -40.776 -11.635 -7.736
328 1HD ARG 43 2HD ARG 43 -43.335 -11.938 -6.305
329 2HD ARG 43 1HD ARG 43 -43.470 -11.827 -8.058
330 HE ARG 43 HE ARG 43 -42.071 -13.917 -6.554
331 1HH1 ARG 43 1HH2 ARG 43 -43.179 -12.617 -9.594
332 2HH1 ARG 43 2HH2 ARG 43 -42.962 -14.104 -10.455
333 1HH2 ARG 43 2HH1 ARG 43 -41.788 -15.879 -7.683
334 2HH2 ARG 43 1HH1 ARG 43 -42.179 -15.958 -9.368
335 H ASN 44 H ASN 44 -37.560 -9.075 -5.287
336 HA ASN 44 HA ASN 44 -38.841 -6.697 -4.164
337 1HB ASN 44 2HB ASN 44 -37.043 -8.595 -2.722
338 2HB ASN 44 1HB ASN 44 -36.852 -6.878 -2.390
339 1HD2 ASN 44 2HD2 ASN 44 -39.951 -8.951 -0.884
340 2HD2 ASN 44 1HD2 ASN 44 -38.745 -9.671 -1.890
341 H LEU 45 H LEU 45 -36.490 -5.428 -3.308
342 HA LEU 45 HA LEU 45 -34.619 -5.471 -5.518
343 1HB LEU 45 2HB LEU 45 -36.467 -4.056 -6.323
344 2HB LEU 45 1HB LEU 45 -36.274 -3.018 -4.923
345 HG LEU 45 HG LEU 45 -34.093 -2.315 -5.680
346 1HD1 LEU 45 3HD1 LEU 45 -34.513 -4.408 -7.785
347 2HD1 LEU 45 2HD1 LEU 45 -33.408 -3.058 -8.039
348 3HD1 LEU 45 1HD1 LEU 45 -33.136 -4.181 -6.707
349 1HD2 LEU 45 3HD2 LEU 45 -36.090 -1.150 -6.532
350 2HD2 LEU 45 2HD2 LEU 45 -34.735 -1.087 -7.659
351 3HD2 LEU 45 1HD2 LEU 45 -36.073 -2.199 -7.950
352 H GLN 46 H GLN 46 -33.218 -6.078 -3.789
353 HA GLN 46 HA GLN 46 -32.688 -4.083 -1.730
354 1HB GLN 46 2HB GLN 46 -31.944 -6.947 -2.142
355 2HB GLN 46 1HB GLN 46 -30.915 -5.956 -1.116
356 1HG GLN 46 2HG GLN 46 -32.886 -5.385 0.251
357 2HG GLN 46 1HG GLN 46 -33.858 -6.466 -0.744
358 1HE2 GLN 46 2HE2 GLN 46 -30.880 -8.418 1.229
359 2HE2 GLN 46 1HE2 GLN 46 -30.544 -7.076 0.197
360 H CYS 47 H CYS 47 -30.374 -3.588 -1.225
361 HA CYS 47 HA CYS 47 -29.023 -2.815 -3.694
362 1HB CYS 47 2HB CYS 47 -29.114 -1.793 -0.923
363 2HB CYS 47 1HB CYS 47 -27.551 -1.652 -1.723
364 H ILE 48 H ILE 48 -27.625 -4.204 -4.490
365 HA ILE 48 HA ILE 48 -26.141 -6.001 -2.759
366 HB ILE 48 HB ILE 48 -26.366 -5.793 -5.753
367 1HG1 ILE 48 2HG1 ILE 48 -27.335 -8.084 -5.476
368 2HG1 ILE 48 1HG1 ILE 48 -27.229 -7.872 -3.731
369 1HG2 ILE 48 2HG2 ILE 48 -24.474 -7.359 -4.065
370 2HG2 ILE 48 1HG2 ILE 48 -25.061 -8.043 -5.582
371 3HG2 ILE 48 3HG2 ILE 48 -24.185 -6.512 -5.583
372 1HD1 ILE 48 3HD1 ILE 48 -28.757 -5.966 -5.466
373 2HD1 ILE 48 2HD1 ILE 48 -29.476 -7.446 -4.829
374 3HD1 ILE 48 1HD1 ILE 48 -28.872 -6.210 -3.724
375 H CYS 49 H CYS 49 -24.160 -5.558 -2.020
376 HA CYS 49 HA CYS 49 -22.680 -3.334 -3.207
377 1HB CYS 49 2HB CYS 49 -22.348 -4.865 -0.629
378 2HB CYS 49 1HB CYS 49 -21.179 -3.673 -1.189
379 H ASP 50 H ASP 50 -21.323 -3.772 -4.783
380 HA ASP 50 HA ASP 50 -20.068 -6.409 -4.957
381 1HB ASP 50 2HB ASP 50 -20.965 -5.852 -7.036
382 2HB ASP 50 1HB ASP 50 -20.519 -4.155 -6.888
383 H TYR 51 H TYR 51 -17.928 -6.763 -4.861
384 HA TYR 51 HA TYR 51 -16.256 -4.523 -3.934
385 1HB TYR 51 2HB TYR 51 -16.136 -7.492 -3.484
386 2HB TYR 51 1HB TYR 51 -14.782 -6.435 -3.093
387 HD1 TYR 51 HD2 TYR 51 -18.310 -7.210 -2.291
388 HD2 TYR 51 HD1 TYR 51 -14.794 -5.122 -1.112
389 HE1 TYR 51 HE2 TYR 51 -19.323 -6.750 -0.099
390 HE2 TYR 51 HE1 TYR 51 -15.800 -4.660 1.084
391 HH TYR 51 HH TYR 51 -19.124 -5.633 1.827
392 H CYS 52 H CYS 52 -16.785 -6.557 -6.582
393 HA CYS 52 HA CYS 52 -14.257 -5.702 -7.780
394 1HB CYS 52 2HB CYS 52 -15.213 -8.568 -7.879
395 2HB CYS 52 1HB CYS 52 -13.759 -7.922 -8.631
396 H GLU 53 H GLU 53 -15.817 -8.193 -9.445
397 HA GLU 53 HA GLU 53 -17.437 -8.237 -11.093
398 1HB GLU 53 2HB GLU 53 -18.288 -6.042 -9.901
399 2HB GLU 53 1HB GLU 53 -17.542 -5.257 -11.286
400 1HG GLU 53 2HG GLU 53 -18.920 -6.947 -12.674
401 2HG GLU 53 1HG GLU 53 -19.868 -7.125 -11.199
402 H TYR 54 HN TYR 54 -15.804 -5.147 -11.758
403 HA TYR 54 HA TYR 54 -14.789 -4.479 -13.722
404 1HB TYR 54 2HB TYR 54 -13.176 -6.648 -12.455
405 2HB TYR 54 1HB TYR 54 -12.643 -6.012 -14.009
406 HD1 TYR 54 HD1 TYR 54 -14.278 -4.171 -11.233
407 HD2 TYR 54 HD2 TYR 54 -10.702 -4.818 -13.444
408 HE1 TYR 54 HE1 TYR 54 -13.238 -2.262 -10.096
409 HE2 TYR 54 HE2 TYR 54 -9.648 -2.909 -12.307
410 HH TYR 54 HH TYR 54 -11.459 -0.926 -9.986
No H/Q in entry = 410
Start of MODEL 35
1 HN PCA 1 HN PCA 1 -14.574 -20.729 -1.388
2 HA PCA 1 HA PCA 1 -14.486 -19.985 -3.822
3 1HB PCA 1 1HB PCA 1 -16.487 -19.466 -4.740
4 2HB PCA 1 2HB PCA 1 -16.638 -18.062 -3.656
5 1HG PCA 1 1HG PCA 1 -17.965 -20.630 -3.465
6 2HG PCA 1 2HG PCA 1 -18.133 -19.231 -2.387
7 H ASP 2 H ASP 2 -14.237 -17.555 -4.536
8 HA ASP 2 HA ASP 2 -12.368 -16.373 -2.826
9 1HB ASP 2 2HB ASP 2 -12.883 -16.065 -5.411
10 2HB ASP 2 1HB ASP 2 -13.795 -14.677 -4.825
11 H LYS 3 H LYS 3 -15.799 -15.688 -3.315
12 HA LYS 3 HA LYS 3 -17.289 -14.422 -2.157
13 1HB LYS 3 2HB LYS 3 -16.697 -15.866 -0.300
14 2HB LYS 3 1HB LYS 3 -15.283 -14.885 0.054
15 1HG LYS 3 2HG LYS 3 -17.093 -14.455 1.627
16 2HG LYS 3 1HG LYS 3 -16.702 -13.019 0.680
17 1HD LYS 3 2HD LYS 3 -19.148 -13.428 0.983
18 2HD LYS 3 1HD LYS 3 -18.632 -13.316 -0.699
19 1HE LYS 3 2HE LYS 3 -18.926 -15.579 -1.073
20 2HE LYS 3 1HE LYS 3 -18.779 -15.987 0.635
21 1HZ LYS 3 3HZ LYS 3 -20.950 -14.654 0.857
22 2HZ LYS 3 2HZ LYS 3 -21.099 -14.891 -0.810
23 3HZ LYS 3 1HZ LYS 3 -21.023 -16.223 0.229
24 H CYS 4 H CYS 4 -17.748 -12.300 -2.034
25 HA CYS 4 HA CYS 4 -16.178 -10.259 -1.028
26 1HB CYS 4 2HB CYS 4 -15.502 -11.031 -3.811
27 2HB CYS 4 1HB CYS 4 -15.665 -9.305 -3.507
28 H LYS 5 H LYS 5 -18.678 -11.408 -3.073
29 HA LYS 5 HA LYS 5 -19.940 -8.774 -3.259
30 1HB LYS 5 2HB LYS 5 -21.268 -11.185 -4.385
31 2HB LYS 5 1HB LYS 5 -21.151 -9.556 -5.036
32 1HG LYS 5 2HG LYS 5 -19.740 -10.524 -6.504
33 2HG LYS 5 1HG LYS 5 -18.568 -10.314 -5.201
34 1HD LYS 5 2HD LYS 5 -18.312 -12.546 -5.860
35 2HD LYS 5 1HD LYS 5 -19.299 -12.629 -4.401
36 1HE LYS 5 2HE LYS 5 -20.874 -13.740 -5.541
37 2HE LYS 5 1HE LYS 5 -21.055 -12.372 -6.638
38 1HZ LYS 5 1HZ LYS 5 -18.957 -13.384 -7.742
39 2HZ LYS 5 3HZ LYS 5 -19.435 -14.804 -6.955
40 3HZ LYS 5 2HZ LYS 5 -20.476 -14.057 -8.058
41 H LYS 6 H LYS 6 -21.403 -8.179 -1.793
42 HA LYS 6 HA LYS 6 -23.139 -10.185 -0.591
43 1HB LYS 6 2HB LYS 6 -21.956 -8.340 1.394
44 2HB LYS 6 1HB LYS 6 -22.379 -10.040 1.544
45 1HG LYS 6 2HG LYS 6 -20.344 -10.715 0.505
46 2HG LYS 6 1HG LYS 6 -19.961 -9.052 0.049
47 1HD LYS 6 2HD LYS 6 -19.698 -8.428 2.349
48 2HD LYS 6 1HD LYS 6 -20.232 -10.023 2.885
49 1HE LYS 6 2HE LYS 6 -17.878 -9.761 1.061
50 2HE LYS 6 1HE LYS 6 -17.686 -9.461 2.788
51 1HZ LYS 6 3HZ LYS 6 -19.044 -11.919 1.954
52 2HZ LYS 6 2HZ LYS 6 -17.364 -11.839 1.775
53 3HZ LYS 6 1HZ LYS 6 -18.061 -11.633 3.301
54 H VAL 7 H VAL 7 -25.094 -9.377 0.152
55 HA VAL 7 HA VAL 7 -25.995 -6.970 -0.996
56 HB VAL 7 HB VAL 7 -28.075 -7.293 0.175
57 1HG1 VAL 7 2HG1 VAL 7 -26.854 -9.845 -0.854
58 2HG1 VAL 7 1HG1 VAL 7 -28.574 -9.640 -0.521
59 3HG1 VAL 7 3HG1 VAL 7 -27.792 -8.654 -1.757
60 1HG2 VAL 7 2HG2 VAL 7 -26.632 -8.251 2.280
61 2HG2 VAL 7 1HG2 VAL 7 -28.372 -8.442 2.098
62 3HG2 VAL 7 3HG2 VAL 7 -27.284 -9.742 1.613
63 H TYR 8 H TYR 8 -26.978 -5.182 0.144
64 HA TYR 8 HA TYR 8 -25.101 -3.910 1.815
65 1HB TYR 8 2HB TYR 8 -26.547 -2.048 1.719
66 2HB TYR 8 1HB TYR 8 -26.780 -2.896 0.187
67 HD1 TYR 8 HD2 TYR 8 -28.231 -2.648 3.624
68 HD2 TYR 8 HD1 TYR 8 -28.914 -3.493 -0.482
69 HE1 TYR 8 HE2 TYR 8 -30.617 -2.883 4.080
70 HE2 TYR 8 HE1 TYR 8 -31.320 -3.709 -0.043
71 HH TYR 8 HH TYR 8 -32.600 -4.010 3.049
72 H GLU 9 H GLU 9 -27.958 -5.711 2.417
73 HA GLU 9 HA GLU 9 -29.296 -5.860 4.300
74 1HB GLU 9 2HB GLU 9 -28.339 -7.423 5.836
75 2HB GLU 9 1HB GLU 9 -27.770 -7.808 4.225
76 1HG GLU 9 2HG GLU 9 -26.152 -6.325 6.283
77 2HG GLU 9 1HG GLU 9 -26.082 -8.052 6.011
78 H ASN 10 H ASN 10 -30.023 -4.120 5.218
79 HA ASN 10 HA ASN 10 -30.293 -2.893 7.211
80 1HB ASN 10 2HB ASN 10 -27.290 -2.591 7.367
81 2HB ASN 10 1HB ASN 10 -28.480 -2.134 8.572
82 1HD2 ASN 10 1HD2 ASN 10 -26.147 -4.169 8.264
83 2HD2 ASN 10 2HD2 ASN 10 -26.795 -5.590 9.004
84 H TYR 11 H TYR 11 -31.229 -1.602 5.541
85 HA TYR 11 HA TYR 11 -30.510 1.039 5.556
86 1HB TYR 11 2HB TYR 11 -28.527 0.763 4.347
87 2HB TYR 11 1HB TYR 11 -29.229 -0.451 3.289
88 HD1 TYR 11 HD1 TYR 11 -29.010 3.145 4.001
89 HD2 TYR 11 HD2 TYR 11 -30.442 0.177 1.312
90 HE1 TYR 11 HE1 TYR 11 -29.448 4.886 2.324
91 HE2 TYR 11 HE2 TYR 11 -30.894 1.913 -0.371
92 HH TYR 11 HH TYR 11 -29.633 4.667 -0.546
93 HA PRO 12 HA PRO 12 -34.811 0.217 4.130
94 1HB PRO 12 2HB PRO 12 -34.682 3.188 4.492
95 2HB PRO 12 1HB PRO 12 -35.974 2.059 4.924
96 1HG PRO 12 2HG PRO 12 -34.329 2.983 6.792
97 2HG PRO 12 1HG PRO 12 -34.848 1.287 6.807
98 1HD PRO 12 2HD PRO 12 -32.224 2.461 6.044
99 2HD PRO 12 1HD PRO 12 -32.586 0.885 6.777
100 H VAL 13 H VAL 13 -34.841 -0.213 2.004
101 HA VAL 13 HA VAL 13 -33.454 1.098 -0.014
102 HB VAL 13 HB VAL 13 -36.120 -0.176 -0.507
103 1HG1 VAL 13 2HG1 VAL 13 -33.541 -0.096 -2.064
104 2HG1 VAL 13 1HG1 VAL 13 -34.984 -0.986 -2.546
105 3HG1 VAL 13 3HG1 VAL 13 -35.030 0.774 -2.438
106 1HG2 VAL 13 3HG2 VAL 13 -33.597 -1.465 0.428
107 2HG2 VAL 13 2HG2 VAL 13 -35.268 -1.815 0.871
108 3HG2 VAL 13 1HG2 VAL 13 -34.647 -2.324 -0.699
109 H SER 14 H SER 14 -33.866 3.346 0.721
110 HA SER 14 HA SER 14 -36.377 4.593 0.429
111 1HB SER 14 2HB SER 14 -35.267 6.612 0.806
112 2HB SER 14 1HB SER 14 -34.188 5.448 1.575
113 HG SER 14 HG SER 14 -33.679 5.848 -1.091
114 H LYS 15 H LYS 15 -33.971 3.630 -1.834
115 HA LYS 15 HA LYS 15 -35.625 4.048 -4.073
116 1HB LYS 15 2HB LYS 15 -34.863 6.427 -3.536
117 2HB LYS 15 1HB LYS 15 -33.253 5.913 -4.024
118 1HG LYS 15 2HG LYS 15 -33.830 5.721 -6.235
119 2HG LYS 15 1HG LYS 15 -35.538 5.453 -5.879
120 1HD LYS 15 2HD LYS 15 -35.063 7.672 -6.900
121 2HD LYS 15 1HD LYS 15 -35.843 7.769 -5.319
122 1HE LYS 15 2HE LYS 15 -33.968 9.383 -5.639
123 2HE LYS 15 1HE LYS 15 -33.773 8.310 -4.254
124 1HZ LYS 15 2HZ LYS 15 -32.575 6.980 -6.315
125 2HZ LYS 15 1HZ LYS 15 -32.129 8.591 -6.573
126 3HZ LYS 15 3HZ LYS 15 -31.785 7.844 -5.094
127 H CYS 16 H CYS 16 -34.418 3.534 -6.149
128 HA CYS 16 HA CYS 16 -31.796 2.488 -6.048
129 1HB CYS 16 2HB CYS 16 -33.779 0.792 -4.954
130 2HB CYS 16 1HB CYS 16 -33.304 0.082 -6.491
131 H GLN 17 H GLN 17 -34.165 3.747 -7.763
132 HA GLN 17 HA GLN 17 -33.886 2.140 -10.170
133 1HB GLN 17 2HB GLN 17 -35.569 4.491 -9.386
134 2HB GLN 17 1HB GLN 17 -35.346 4.112 -11.088
135 1HG GLN 17 2HG GLN 17 -36.313 2.086 -9.097
136 2HG GLN 17 1HG GLN 17 -37.403 3.163 -9.968
137 1HE2 GLN 17 2HE2 GLN 17 -37.444 1.251 -12.838
138 2HE2 GLN 17 1HE2 GLN 17 -38.082 2.562 -11.911
139 H LEU 18 H LEU 18 -32.793 5.184 -8.843
140 HA LEU 18 HA LEU 18 -31.704 6.207 -11.261
141 1HB LEU 18 2HB LEU 18 -31.858 7.001 -8.472
142 2HB LEU 18 1HB LEU 18 -30.303 7.402 -9.170
143 HG LEU 18 HG LEU 18 -32.947 8.225 -10.365
144 1HD1 LEU 18 2HD1 LEU 18 -31.145 9.542 -8.383
145 2HD1 LEU 18 1HD1 LEU 18 -32.056 10.520 -9.532
146 3HD1 LEU 18 3HD1 LEU 18 -32.906 9.454 -8.415
147 1HD2 LEU 18 1HD2 LEU 18 -30.080 8.713 -11.057
148 2HD2 LEU 18 3HD2 LEU 18 -31.434 8.305 -12.111
149 3HD2 LEU 18 2HD2 LEU 18 -31.300 9.928 -11.438
150 H ALA 19 H ALA 19 -30.096 4.882 -8.365
151 HA ALA 19 HA ALA 19 -28.380 3.222 -8.434
152 1HB ALA 19 3HB ALA 19 -28.529 3.166 -10.968
153 2HB ALA 19 2HB ALA 19 -27.350 4.481 -10.955
154 3HB ALA 19 1HB ALA 19 -26.937 2.918 -10.257
155 H ASN 20 H ASN 20 -28.353 5.140 -6.764
156 HA ASN 20 HA ASN 20 -25.605 5.982 -6.699
157 1HB ASN 20 2HB ASN 20 -26.193 8.387 -6.279
158 2HB ASN 20 1HB ASN 20 -26.452 7.837 -7.933
159 1HD2 ASN 20 2HD2 ASN 20 -29.707 8.565 -5.565
160 2HD2 ASN 20 1HD2 ASN 20 -28.228 8.018 -4.866
161 H GLN 21 H GLN 21 -28.779 6.460 -5.135
162 HA GLN 21 HA GLN 21 -27.916 7.024 -2.599
163 1HB GLN 21 2HB GLN 21 -30.354 6.025 -3.800
164 2HB GLN 21 1HB GLN 21 -30.105 5.274 -2.230
165 1HG GLN 21 2HG GLN 21 -30.093 8.241 -2.741
166 2HG GLN 21 1HG GLN 21 -31.467 7.319 -2.132
167 1HE2 GLN 21 2HE2 GLN 21 -28.381 8.345 0.294
168 2HE2 GLN 21 1HE2 GLN 21 -28.314 8.584 -1.415
169 H CYS 22 H CYS 22 -29.063 3.722 -3.318
170 HA CYS 22 HA CYS 22 -27.641 2.567 -1.206
171 1HB CYS 22 2HB CYS 22 -29.496 1.679 -3.091
172 2HB CYS 22 1HB CYS 22 -28.077 0.672 -3.365
173 H ASN 23 H ASN 23 -26.802 2.912 -4.629
174 HA ASN 23 HA ASN 23 -24.487 1.385 -4.704
175 1HB ASN 23 2HB ASN 23 -25.731 2.648 -6.609
176 2HB ASN 23 1HB ASN 23 -24.692 4.000 -6.164
177 1HD2 ASN 23 2HD2 ASN 23 -22.610 0.695 -7.316
178 2HD2 ASN 23 1HD2 ASN 23 -23.820 0.596 -6.090
179 H TYR 24 H TYR 24 -24.297 4.934 -4.717
180 HA TYR 24 HA TYR 24 -21.703 5.149 -3.833
181 1HB TYR 24 2HB TYR 24 -22.211 7.294 -4.265
182 2HB TYR 24 1HB TYR 24 -23.925 6.929 -4.217
183 HD1 TYR 24 HD2 TYR 24 -21.166 7.241 -1.733
184 HD2 TYR 24 HD1 TYR 24 -25.138 8.293 -2.822
185 HE1 TYR 24 HE2 TYR 24 -21.367 8.559 0.319
186 HE2 TYR 24 HE1 TYR 24 -25.355 9.626 -0.768
187 HH TYR 24 HH TYR 24 -23.393 9.348 1.821
188 H ASP 25 H ASP 25 -24.635 4.762 -1.908
189 HA ASP 25 HA ASP 25 -23.585 5.279 0.617
190 1HB ASP 25 2HB ASP 25 -25.797 3.491 -0.333
191 2HB ASP 25 1HB ASP 25 -25.346 3.513 1.367
192 H CYS 26 H CYS 26 -24.141 1.966 -0.632
193 HA CYS 26 HA CYS 26 -22.562 0.696 1.245
194 1HB CYS 26 2HB CYS 26 -23.831 -0.039 -1.233
195 2HB CYS 26 1HB CYS 26 -22.227 -0.760 -1.168
196 H LYS 27 H LYS 27 -21.642 2.232 -1.776
197 HA LYS 27 HA LYS 27 -18.992 1.368 -1.904
198 1HB LYS 27 2HB LYS 27 -20.648 3.217 -3.278
199 2HB LYS 27 1HB LYS 27 -19.178 4.078 -2.850
200 1HG LYS 27 2HG LYS 27 -17.831 2.639 -4.096
201 2HG LYS 27 1HG LYS 27 -19.074 1.388 -4.166
202 1HD LYS 27 2HD LYS 27 -18.913 2.457 -6.318
203 2HD LYS 27 1HD LYS 27 -20.451 2.893 -5.569
204 1HE LYS 27 2HE LYS 27 -19.845 5.074 -5.271
205 2HE LYS 27 1HE LYS 27 -18.131 4.691 -5.111
206 1HZ LYS 27 2HZ LYS 27 -18.738 3.996 -7.677
207 2HZ LYS 27 1HZ LYS 27 -19.619 5.421 -7.440
208 3HZ LYS 27 3HZ LYS 27 -17.946 5.410 -7.192
209 H LEU 28 H LEU 28 -20.296 2.853 0.682
210 HA LEU 28 HA LEU 28 -17.731 3.588 1.716
211 1HB LEU 28 2HB LEU 28 -18.656 5.568 0.263
212 2HB LEU 28 1HB LEU 28 -19.647 5.878 1.675
213 HG LEU 28 HG LEU 28 -17.800 7.277 1.955
214 1HD1 LEU 28 3HD1 LEU 28 -18.347 5.810 3.924
215 2HD1 LEU 28 2HD1 LEU 28 -16.957 4.823 3.474
216 3HD1 LEU 28 1HD1 LEU 28 -16.730 6.513 3.922
217 1HD2 LEU 28 1HD2 LEU 28 -16.432 6.289 0.161
218 2HD2 LEU 28 3HD2 LEU 28 -15.495 6.620 1.619
219 3HD2 LEU 28 2HD2 LEU 28 -15.990 4.969 1.245
220 H ASP 29 H ASP 29 -21.240 3.921 2.151
221 HA ASP 29 HA ASP 29 -21.137 4.216 4.965
222 1HB ASP 29 2HB ASP 29 -23.377 3.298 3.153
223 2HB ASP 29 1HB ASP 29 -23.571 3.664 4.864
224 H LYS 30 H LYS 30 -20.456 1.569 3.050
225 HA LYS 30 HA LYS 30 -20.686 -0.223 5.355
226 1HB LYS 30 2HB LYS 30 -21.599 -0.970 2.573
227 2HB LYS 30 1HB LYS 30 -21.584 -2.027 3.980
228 1HG LYS 30 2HG LYS 30 -23.086 -0.073 4.979
229 2HG LYS 30 1HG LYS 30 -23.448 0.167 3.271
230 1HD LYS 30 2HD LYS 30 -24.229 -2.090 3.055
231 2HD LYS 30 1HD LYS 30 -23.696 -2.481 4.692
232 1HE LYS 30 2HE LYS 30 -26.232 -1.623 3.959
233 2HE LYS 30 1HE LYS 30 -25.581 -1.658 5.596
234 1HZ LYS 30 1HZ LYS 30 -25.380 0.646 3.733
235 2HZ LYS 30 3HZ LYS 30 -26.487 0.516 5.007
236 3HZ LYS 30 2HZ LYS 30 -24.830 0.606 5.332
237 H HIS 31 H HIS 31 -18.636 1.234 3.527
238 HA HIS 31 HA HIS 31 -16.502 0.891 2.835
239 1HB HIS 31 2HB HIS 31 -16.667 -1.686 4.402
240 2HB HIS 31 1HB HIS 31 -15.206 -0.811 3.953
241 HD1 HIS 31 HD1 HIS 31 -16.776 -1.496 6.864
242 HD2 HIS 31 HD2 HIS 31 -15.878 2.138 5.064
243 HE1 HIS 31 HE1 HIS 31 -16.771 0.193 8.726
244 HE2 HIS 31 HE2 HIS 31 -16.334 2.401 7.596
245 H ALA 32 H ALA 32 -18.538 0.027 1.050
246 HA ALA 32 HA ALA 32 -17.592 -2.491 -0.075
247 1HB ALA 32 2HB ALA 32 -20.054 -1.744 0.059
248 2HB ALA 32 1HB ALA 32 -19.671 -0.735 -1.335
249 3HB ALA 32 3HB ALA 32 -19.484 -2.484 -1.436
250 H ARG 33 H ARG 33 -17.933 -2.028 -2.797
251 HA ARG 33 HA ARG 33 -15.953 0.062 -3.423
252 1HB ARG 33 2HB ARG 33 -14.918 -2.214 -3.398
253 2HB ARG 33 1HB ARG 33 -16.033 -2.689 -4.673
254 1HG ARG 33 2HG ARG 33 -15.097 -0.832 -6.058
255 2HG ARG 33 1HG ARG 33 -13.867 -0.614 -4.813
256 1HD ARG 33 2HD ARG 33 -12.932 -2.733 -5.213
257 2HD ARG 33 1HD ARG 33 -14.347 -3.278 -6.113
258 HE ARG 33 HE ARG 33 -12.922 -1.049 -7.284
259 1HH1 ARG 33 1HH2 ARG 33 -13.319 -4.504 -7.143
260 2HH1 ARG 33 2HH2 ARG 33 -12.610 -4.781 -8.699
261 1HH2 ARG 33 2HH1 ARG 33 -11.988 -1.397 -9.333
262 2HH2 ARG 33 1HH1 ARG 33 -11.859 -3.010 -9.950
263 H SER 34 H SER 34 -18.379 -2.160 -4.753
264 HA SER 34 HA SER 34 -19.619 -0.028 -6.236
265 1HB SER 34 2HB SER 34 -19.032 -0.562 -8.376
266 2HB SER 34 1HB SER 34 -17.592 -1.208 -7.591
267 HG SER 34 HG SER 34 -19.918 -2.638 -8.363
268 H GLY 35 H GLY 35 -21.760 -0.380 -6.133
269 1HA GLY 35 2HA GLY 35 -22.679 -3.185 -6.014
270 2HA GLY 35 1HA GLY 35 -23.298 -1.976 -4.897
271 H GLU 36 H GLU 36 -25.258 -3.086 -5.992
272 HA GLU 36 HA GLU 36 -26.545 -1.150 -7.590
273 1HB GLU 36 2HB GLU 36 -25.007 -2.237 -9.298
274 2HB GLU 36 1HB GLU 36 -25.962 -3.699 -9.100
275 1HG GLU 36 2HG GLU 36 -27.952 -2.526 -9.854
276 2HG GLU 36 1HG GLU 36 -27.028 -1.032 -10.008
277 H CYS 37 H CYS 37 -28.773 -1.760 -8.129
278 HA CYS 37 HA CYS 37 -29.808 -3.593 -6.137
279 1HB CYS 37 2HB CYS 37 -30.689 -1.161 -7.290
280 2HB CYS 37 1HB CYS 37 -31.916 -2.379 -7.616
281 H PHE 38 H PHE 38 -30.947 -5.399 -6.431
282 HA PHE 38 HA PHE 38 -31.761 -6.228 -9.095
283 1HB PHE 38 2HB PHE 38 -29.633 -7.645 -7.500
284 2HB PHE 38 1HB PHE 38 -30.615 -8.499 -8.687
285 HD1 PHE 38 HD2 PHE 38 -30.728 -7.330 -11.049
286 HD2 PHE 38 HD1 PHE 38 -27.639 -6.735 -8.182
287 HE1 PHE 38 HE2 PHE 38 -29.216 -6.576 -12.840
288 HE2 PHE 38 HE1 PHE 38 -26.122 -5.979 -9.966
289 HZ PHE 38 HZ PHE 38 -26.911 -5.898 -12.298
290 H TYR 39 H TYR 39 -33.222 -8.030 -9.097
291 HA TYR 39 HA TYR 39 -34.083 -9.196 -6.645
292 1HB TYR 39 2HB TYR 39 -35.951 -8.018 -6.131
293 2HB TYR 39 1HB TYR 39 -35.030 -6.753 -6.916
294 HD1 TYR 39 HD1 TYR 39 -35.530 -7.675 -9.801
295 HD2 TYR 39 HD2 TYR 39 -38.052 -7.112 -6.413
296 HE1 TYR 39 HE1 TYR 39 -37.421 -7.175 -11.295
297 HE2 TYR 39 HE2 TYR 39 -39.931 -6.599 -7.890
298 HH TYR 39 HH TYR 39 -40.594 -7.151 -10.308
299 H ASP 40 H ASP 40 -36.249 -10.447 -7.012
300 HA ASP 40 HA ASP 40 -36.471 -11.373 -9.788
301 1HB ASP 40 2HB ASP 40 -36.632 -13.717 -8.218
302 2HB ASP 40 1HB ASP 40 -35.337 -13.264 -9.319
303 H GLU 41 H GLU 41 -38.146 -13.571 -9.207
304 HA GLU 41 HA GLU 41 -40.641 -12.325 -9.160
305 1HB GLU 41 2HB GLU 41 -40.482 -14.440 -10.214
306 2HB GLU 41 1HB GLU 41 -39.803 -15.191 -8.778
307 1HG GLU 41 2HG GLU 41 -41.856 -15.266 -7.694
308 2HG GLU 41 1HG GLU 41 -42.564 -14.045 -8.750
309 H LYS 42 H LYS 42 -38.608 -12.474 -6.658
310 HA LYS 42 HA LYS 42 -40.596 -13.070 -4.599
311 1HB LYS 42 2HB LYS 42 -38.007 -13.718 -4.659
312 2HB LYS 42 1HB LYS 42 -37.837 -12.125 -3.941
313 1HG LYS 42 2HG LYS 42 -38.225 -13.065 -1.954
314 2HG LYS 42 1HG LYS 42 -39.886 -13.338 -2.475
315 1HD LYS 42 2HD LYS 42 -37.594 -15.255 -2.907
316 2HD LYS 42 1HD LYS 42 -38.797 -15.383 -1.624
317 1HE LYS 42 2HE LYS 42 -40.544 -15.424 -3.459
318 2HE LYS 42 1HE LYS 42 -39.213 -15.635 -4.594
319 1HZ LYS 42 2HZ LYS 42 -38.569 -17.639 -3.374
320 2HZ LYS 42 1HZ LYS 42 -39.900 -17.448 -2.347
321 3HZ LYS 42 3HZ LYS 42 -40.138 -17.757 -3.994
322 H ARG 43 H ARG 43 -39.987 -10.572 -6.491
323 HA ARG 43 HA ARG 43 -40.125 -8.306 -6.391
324 1HB ARG 43 2HB ARG 43 -42.390 -9.474 -5.240
325 2HB ARG 43 1HB ARG 43 -41.976 -8.164 -4.147
326 1HG ARG 43 2HG ARG 43 -42.001 -6.596 -6.031
327 2HG ARG 43 1HG ARG 43 -42.446 -7.919 -7.112
328 1HD ARG 43 2HD ARG 43 -44.056 -7.041 -4.720
329 2HD ARG 43 1HD ARG 43 -44.370 -6.532 -6.376
330 HE ARG 43 HE ARG 43 -44.609 -9.296 -5.383
331 1HH1 ARG 43 1HH2 ARG 43 -45.456 -6.793 -7.668
332 2HH1 ARG 43 2HH2 ARG 43 -46.661 -7.751 -8.456
333 1HH2 ARG 43 2HH1 ARG 43 -46.189 -10.555 -6.427
334 2HH2 ARG 43 1HH1 ARG 43 -47.073 -9.887 -7.758
335 H ASN 44 H ASN 44 -38.408 -9.833 -4.247
336 HA ASN 44 HA ASN 44 -38.112 -7.663 -2.314
337 1HB ASN 44 2HB ASN 44 -36.835 -10.405 -2.434
338 2HB ASN 44 1HB ASN 44 -36.539 -9.220 -1.165
339 1HD2 ASN 44 2HD2 ASN 44 -40.308 -9.582 -0.552
340 2HD2 ASN 44 1HD2 ASN 44 -39.448 -8.394 -1.462
341 H LEU 45 H LEU 45 -37.111 -6.049 -3.331
342 HA LEU 45 HA LEU 45 -34.743 -6.558 -4.912
343 1HB LEU 45 2HB LEU 45 -36.415 -5.008 -5.770
344 2HB LEU 45 1HB LEU 45 -36.281 -4.041 -4.314
345 HG LEU 45 HG LEU 45 -33.738 -3.846 -5.088
346 1HD1 LEU 45 3HD1 LEU 45 -35.217 -4.611 -7.572
347 2HD1 LEU 45 2HD1 LEU 45 -33.911 -3.440 -7.652
348 3HD1 LEU 45 1HD1 LEU 45 -33.599 -5.057 -7.035
349 1HD2 LEU 45 2HD2 LEU 45 -36.145 -2.263 -5.862
350 2HD2 LEU 45 1HD2 LEU 45 -34.840 -1.860 -4.746
351 3HD2 LEU 45 3HD2 LEU 45 -34.563 -1.804 -6.487
352 H GLN 46 H GLN 46 -32.726 -6.297 -4.338
353 HA GLN 46 HA GLN 46 -32.131 -4.778 -1.893
354 1HB GLN 46 2HB GLN 46 -31.912 -7.658 -2.250
355 2HB GLN 46 1HB GLN 46 -30.360 -6.955 -1.819
356 1HG GLN 46 2HG GLN 46 -31.631 -7.713 0.128
357 2HG GLN 46 1HG GLN 46 -31.305 -5.982 0.170
358 1HE2 GLN 46 2HE2 GLN 46 -35.133 -7.199 -0.647
359 2HE2 GLN 46 1HE2 GLN 46 -33.784 -8.101 -1.239
360 H CYS 47 H CYS 47 -29.964 -4.068 -1.701
361 HA CYS 47 HA CYS 47 -28.712 -3.597 -4.282
362 1HB CYS 47 2HB CYS 47 -27.573 -2.334 -1.861
363 2HB CYS 47 1HB CYS 47 -27.872 -1.656 -3.452
364 H ILE 48 H ILE 48 -27.280 -4.970 -4.957
365 HA ILE 48 HA ILE 48 -25.748 -6.620 -3.163
366 HB ILE 48 HB ILE 48 -25.882 -6.386 -6.159
367 1HG1 ILE 48 2HG1 ILE 48 -27.530 -7.711 -4.627
368 2HG1 ILE 48 1HG1 ILE 48 -26.921 -8.465 -6.097
369 1HG2 ILE 48 1HG2 ILE 48 -23.778 -7.700 -4.500
370 2HG2 ILE 48 3HG2 ILE 48 -24.286 -8.459 -6.009
371 3HG2 ILE 48 2HG2 ILE 48 -23.626 -6.824 -6.022
372 1HD1 ILE 48 3HD1 ILE 48 -25.755 -8.898 -3.360
373 2HD1 ILE 48 2HD1 ILE 48 -26.931 -9.961 -4.132
374 3HD1 ILE 48 1HD1 ILE 48 -25.332 -9.748 -4.846
375 H CYS 49 H CYS 49 -24.097 -5.730 -2.117
376 HA CYS 49 HA CYS 49 -22.543 -3.612 -3.407
377 1HB CYS 49 2HB CYS 49 -22.197 -4.563 -0.573
378 2HB CYS 49 1HB CYS 49 -21.807 -2.989 -1.261
379 H ASP 50 H ASP 50 -20.815 -4.174 -4.506
380 HA ASP 50 HA ASP 50 -19.441 -6.678 -3.892
381 1HB ASP 50 2HB ASP 50 -18.841 -4.860 -6.215
382 2HB ASP 50 1HB ASP 50 -18.519 -6.584 -6.064
383 H TYR 51 H TYR 51 -17.516 -6.824 -3.026
384 HA TYR 51 HA TYR 51 -16.136 -4.339 -2.300
385 1HB TYR 51 2HB TYR 51 -16.077 -7.134 -1.177
386 2HB TYR 51 1HB TYR 51 -14.944 -5.881 -0.668
387 HD1 TYR 51 HD2 TYR 51 -18.609 -6.460 -1.055
388 HD2 TYR 51 HD1 TYR 51 -15.516 -4.565 1.168
389 HE1 TYR 51 HE2 TYR 51 -20.275 -5.649 0.559
390 HE2 TYR 51 HE1 TYR 51 -17.174 -3.748 2.791
391 HH TYR 51 HH TYR 51 -20.579 -4.002 2.225
392 H CYS 52 H CYS 52 -15.879 -7.055 -4.356
393 HA CYS 52 HA CYS 52 -13.212 -6.187 -5.180
394 1HB CYS 52 2HB CYS 52 -13.671 -9.131 -4.950
395 2HB CYS 52 1HB CYS 52 -12.159 -8.231 -4.934
396 H GLU 53 H GLU 53 -16.279 -7.548 -5.888
397 HA GLU 53 HA GLU 53 -17.352 -8.047 -7.829
398 1HB GLU 53 2HB GLU 53 -15.162 -6.236 -8.817
399 2HB GLU 53 1HB GLU 53 -16.294 -6.979 -9.938
400 1HG GLU 53 2HG GLU 53 -18.155 -5.928 -8.757
401 2HG GLU 53 1HG GLU 53 -17.016 -5.180 -7.637
402 H TYR 54 HN TYR 54 -16.539 -10.271 -7.279
403 HA TYR 54 HA TYR 54 -15.737 -12.294 -7.930
404 1HB TYR 54 2HB TYR 54 -16.299 -10.830 -10.392
405 2HB TYR 54 1HB TYR 54 -15.051 -12.049 -10.624
406 HD1 TYR 54 HD1 TYR 54 -15.567 -14.438 -9.932
407 HD2 TYR 54 HD2 TYR 54 -18.567 -11.441 -10.281
408 HE1 TYR 54 HE1 TYR 54 -17.289 -16.187 -10.081
409 HE2 TYR 54 HE2 TYR 54 -20.298 -13.182 -10.431
410 HH TYR 54 HH TYR 54 -20.335 -15.682 -11.181
No H/Q in entry = 410
Start of MODEL 36
1 HN PCA 1 HN PCA 1 -17.924 -18.828 -7.732
2 HA PCA 1 HA PCA 1 -15.773 -19.365 -6.435
3 1HB PCA 1 1HB PCA 1 -13.850 -19.324 -7.628
4 2HB PCA 1 2HB PCA 1 -14.109 -17.621 -8.074
5 1HG PCA 1 1HG PCA 1 -14.666 -20.035 -9.627
6 2HG PCA 1 2HG PCA 1 -14.756 -18.341 -10.145
7 H ASP 2 H ASP 2 -17.946 -17.535 -6.274
8 HA ASP 2 HA ASP 2 -18.570 -15.640 -5.190
9 1HB ASP 2 2HB ASP 2 -15.783 -15.160 -4.218
10 2HB ASP 2 1HB ASP 2 -17.315 -14.975 -3.368
11 H LYS 3 H LYS 3 -18.438 -13.324 -5.219
12 HA LYS 3 HA LYS 3 -16.593 -12.174 -7.178
13 1HB LYS 3 2HB LYS 3 -19.398 -12.653 -7.598
14 2HB LYS 3 1HB LYS 3 -19.131 -10.921 -7.572
15 1HG LYS 3 2HG LYS 3 -17.258 -12.490 -9.247
16 2HG LYS 3 1HG LYS 3 -18.932 -12.434 -9.788
17 1HD LYS 3 2HD LYS 3 -17.382 -9.961 -9.048
18 2HD LYS 3 1HD LYS 3 -17.387 -10.630 -10.679
19 1HE LYS 3 2HE LYS 3 -20.094 -10.483 -9.866
20 2HE LYS 3 1HE LYS 3 -19.348 -8.953 -9.412
21 1HZ LYS 3 1HZ LYS 3 -18.407 -9.027 -11.792
22 2HZ LYS 3 3HZ LYS 3 -19.639 -10.149 -12.087
23 3HZ LYS 3 2HZ LYS 3 -20.024 -8.586 -11.568
24 H CYS 4 H CYS 4 -16.558 -12.054 -4.362
25 HA CYS 4 HA CYS 4 -16.488 -10.610 -2.604
26 1HB CYS 4 2HB CYS 4 -15.601 -9.042 -4.982
27 2HB CYS 4 1HB CYS 4 -15.840 -8.181 -3.471
28 H LYS 5 H LYS 5 -19.116 -10.879 -4.080
29 HA LYS 5 HA LYS 5 -20.330 -8.270 -3.584
30 1HB LYS 5 2HB LYS 5 -22.417 -9.600 -4.450
31 2HB LYS 5 1HB LYS 5 -21.178 -9.058 -5.571
32 1HG LYS 5 2HG LYS 5 -21.763 -11.288 -6.143
33 2HG LYS 5 1HG LYS 5 -20.149 -11.321 -5.432
34 1HD LYS 5 2HD LYS 5 -20.846 -12.431 -3.560
35 2HD LYS 5 1HD LYS 5 -22.462 -11.726 -3.610
36 1HE LYS 5 2HE LYS 5 -23.212 -13.251 -5.202
37 2HE LYS 5 1HE LYS 5 -21.577 -13.673 -5.707
38 1HZ LYS 5 2HZ LYS 5 -22.412 -14.262 -2.955
39 2HZ LYS 5 1HZ LYS 5 -22.945 -15.272 -4.202
40 3HZ LYS 5 3HZ LYS 5 -21.288 -15.064 -3.931
41 H LYS 6 H LYS 6 -21.753 -7.822 -1.994
42 HA LYS 6 HA LYS 6 -22.831 -9.948 -0.331
43 1HB LYS 6 2HB LYS 6 -21.226 -7.716 0.915
44 2HB LYS 6 1HB LYS 6 -21.988 -9.064 1.745
45 1HG LYS 6 2HG LYS 6 -20.465 -10.592 0.477
46 2HG LYS 6 1HG LYS 6 -19.624 -9.158 -0.111
47 1HD LYS 6 2HD LYS 6 -18.784 -8.633 1.980
48 2HD LYS 6 1HD LYS 6 -20.044 -9.532 2.826
49 1HE LYS 6 2HE LYS 6 -17.977 -10.731 3.038
50 2HE LYS 6 1HE LYS 6 -19.045 -11.635 1.963
51 1HZ LYS 6 3HZ LYS 6 -17.364 -9.778 0.566
52 2HZ LYS 6 2HZ LYS 6 -16.477 -10.932 1.427
53 3HZ LYS 6 1HZ LYS 6 -17.621 -11.427 0.283
54 H VAL 7 H VAL 7 -24.890 -9.501 0.042
55 HA VAL 7 HA VAL 7 -26.098 -7.102 -0.749
56 HB VAL 7 HB VAL 7 -28.116 -8.041 -0.234
57 1HG1 VAL 7 1HG1 VAL 7 -26.639 -9.626 -1.550
58 2HG1 VAL 7 3HG1 VAL 7 -26.492 -10.553 -0.056
59 3HG1 VAL 7 2HG1 VAL 7 -28.077 -10.313 -0.793
60 1HG2 VAL 7 1HG2 VAL 7 -26.773 -9.199 2.188
61 2HG2 VAL 7 3HG2 VAL 7 -28.137 -8.083 2.101
62 3HG2 VAL 7 2HG2 VAL 7 -28.351 -9.773 1.646
63 H TYR 8 H TYR 8 -26.912 -5.372 0.320
64 HA TYR 8 HA TYR 8 -25.710 -4.738 2.876
65 1HB TYR 8 2HB TYR 8 -26.103 -3.113 0.889
66 2HB TYR 8 1HB TYR 8 -27.771 -3.068 1.443
67 HD1 TYR 8 HD1 TYR 8 -26.633 -3.353 4.496
68 HD2 TYR 8 HD2 TYR 8 -26.045 -0.671 1.238
69 HE1 TYR 8 HE1 TYR 8 -26.045 -1.568 6.073
70 HE2 TYR 8 HE2 TYR 8 -25.455 1.114 2.817
71 HH TYR 8 HH TYR 8 -25.031 0.500 6.226
72 H GLU 9 H GLU 9 -26.627 -5.831 4.520
73 HA GLU 9 HA GLU 9 -29.265 -6.708 4.604
74 1HB GLU 9 2HB GLU 9 -27.741 -6.035 7.107
75 2HB GLU 9 1HB GLU 9 -28.876 -7.349 6.831
76 1HG GLU 9 2HG GLU 9 -26.160 -7.154 5.551
77 2HG GLU 9 1HG GLU 9 -26.516 -8.069 7.014
78 H ASN 10 H ASN 10 -30.858 -6.022 6.346
79 HA ASN 10 HA ASN 10 -32.499 -4.280 6.323
80 1HB ASN 10 2HB ASN 10 -31.436 -3.017 8.591
81 2HB ASN 10 1HB ASN 10 -32.499 -4.420 8.567
82 1HD2 ASN 10 2HD2 ASN 10 -30.096 -6.175 10.301
83 2HD2 ASN 10 1HD2 ASN 10 -31.715 -5.578 10.199
84 H TYR 11 H TYR 11 -32.708 -2.674 4.945
85 HA TYR 11 HA TYR 11 -31.653 -0.129 5.438
86 1HB TYR 11 2HB TYR 11 -29.536 -0.665 4.669
87 2HB TYR 11 1HB TYR 11 -30.142 -1.837 3.505
88 HD1 TYR 11 HD1 TYR 11 -31.304 -0.945 1.412
89 HD2 TYR 11 HD2 TYR 11 -28.995 1.518 4.002
90 HE1 TYR 11 HE1 TYR 11 -31.080 0.721 -0.382
91 HE2 TYR 11 HE2 TYR 11 -28.766 3.191 2.215
92 HH TYR 11 HH TYR 11 -29.046 2.766 -0.759
93 HA PRO 12 HA PRO 12 -35.153 1.335 3.171
94 1HB PRO 12 2HB PRO 12 -33.003 2.671 1.553
95 2HB PRO 12 1HB PRO 12 -34.551 3.324 2.104
96 1HG PRO 12 2HG PRO 12 -32.229 3.800 3.411
97 2HG PRO 12 1HG PRO 12 -33.792 3.692 4.239
98 1HD PRO 12 2HD PRO 12 -31.520 1.876 4.389
99 2HD PRO 12 1HD PRO 12 -32.989 1.898 5.378
100 H VAL 13 H VAL 13 -35.465 -0.872 2.362
101 HA VAL 13 HA VAL 13 -34.314 -1.903 0.034
102 HB VAL 13 HB VAL 13 -35.523 -3.462 1.265
103 1HG1 VAL 13 3HG1 VAL 13 -37.618 -1.342 1.443
104 2HG1 VAL 13 2HG1 VAL 13 -38.056 -3.033 1.691
105 3HG1 VAL 13 1HG1 VAL 13 -36.847 -2.273 2.727
106 1HG2 VAL 13 2HG2 VAL 13 -35.978 -3.561 -1.210
107 2HG2 VAL 13 1HG2 VAL 13 -37.164 -4.373 -0.191
108 3HG2 VAL 13 3HG2 VAL 13 -37.527 -2.790 -0.879
109 H SER 14 H SER 14 -37.102 0.220 0.475
110 HA SER 14 HA SER 14 -38.029 0.171 -2.179
111 1HB SER 14 2HB SER 14 -39.616 1.575 -1.386
112 2HB SER 14 1HB SER 14 -38.845 1.359 0.186
113 HG SER 14 HG SER 14 -39.093 3.587 -1.148
114 H LYS 15 H LYS 15 -35.637 2.204 -0.558
115 HA LYS 15 HA LYS 15 -35.267 4.033 -2.678
116 1HB LYS 15 2HB LYS 15 -34.457 4.031 -0.147
117 2HB LYS 15 1HB LYS 15 -32.995 3.368 -0.862
118 1HG LYS 15 2HG LYS 15 -32.562 5.632 -0.834
119 2HG LYS 15 1HG LYS 15 -33.151 5.377 -2.478
120 1HD LYS 15 2HD LYS 15 -34.170 7.361 -1.540
121 2HD LYS 15 1HD LYS 15 -35.395 6.111 -1.758
122 1HE LYS 15 2HE LYS 15 -35.154 7.521 0.503
123 2HE LYS 15 1HE LYS 15 -35.726 5.853 0.474
124 1HZ LYS 15 2HZ LYS 15 -32.860 6.495 0.798
125 2HZ LYS 15 1HZ LYS 15 -33.908 6.440 2.124
126 3HZ LYS 15 3HZ LYS 15 -33.668 5.059 1.178
127 H CYS 16 H CYS 16 -35.070 2.942 -4.610
128 HA CYS 16 HA CYS 16 -32.466 2.193 -5.407
129 1HB CYS 16 2HB CYS 16 -34.047 0.096 -4.257
130 2HB CYS 16 1HB CYS 16 -33.830 -0.246 -5.970
131 H GLN 17 H GLN 17 -32.494 3.159 -7.345
132 HA GLN 17 HA GLN 17 -34.505 2.344 -9.280
133 1HB GLN 17 2HB GLN 17 -34.119 5.265 -9.297
134 2HB GLN 17 1HB GLN 17 -35.586 4.318 -9.509
135 1HG GLN 17 2HG GLN 17 -35.816 4.059 -7.127
136 2HG GLN 17 1HG GLN 17 -34.271 4.866 -6.858
137 1HE2 GLN 17 2HE2 GLN 17 -35.853 7.903 -6.496
138 2HE2 GLN 17 1HE2 GLN 17 -34.666 6.763 -5.971
139 H LEU 18 H LEU 18 -31.408 3.679 -8.526
140 HA LEU 18 HA LEU 18 -30.365 2.956 -11.075
141 1HB LEU 18 2HB LEU 18 -31.226 5.705 -10.596
142 2HB LEU 18 1HB LEU 18 -29.548 5.609 -11.098
143 HG LEU 18 HG LEU 18 -31.553 4.078 -12.668
144 1HD1 LEU 18 3HD1 LEU 18 -31.356 7.060 -12.586
145 2HD1 LEU 18 2HD1 LEU 18 -31.773 6.230 -14.085
146 3HD1 LEU 18 1HD1 LEU 18 -32.789 6.034 -12.657
147 1HD2 LEU 18 2HD2 LEU 18 -29.052 5.619 -13.339
148 2HD2 LEU 18 1HD2 LEU 18 -29.228 3.866 -13.250
149 3HD2 LEU 18 3HD2 LEU 18 -30.056 4.772 -14.517
150 H ALA 19 H ALA 19 -28.034 3.904 -11.279
151 HA ALA 19 HA ALA 19 -26.481 2.868 -9.202
152 1HB ALA 19 3HB ALA 19 -25.922 3.407 -11.692
153 2HB ALA 19 2HB ALA 19 -25.378 4.948 -11.029
154 3HB ALA 19 1HB ALA 19 -24.654 3.442 -10.468
155 H ASN 20 H ASN 20 -26.634 3.680 -7.186
156 HA ASN 20 HA ASN 20 -25.270 5.952 -6.456
157 1HB ASN 20 2HB ASN 20 -27.357 7.317 -5.654
158 2HB ASN 20 1HB ASN 20 -26.763 7.482 -7.303
159 1HD2 ASN 20 2HD2 ASN 20 -30.517 6.452 -6.662
160 2HD2 ASN 20 1HD2 ASN 20 -29.449 7.116 -5.479
161 H GLN 21 H GLN 21 -28.454 5.374 -5.046
162 HA GLN 21 HA GLN 21 -27.928 5.219 -2.476
163 1HB GLN 21 2HB GLN 21 -29.453 2.833 -2.880
164 2HB GLN 21 1HB GLN 21 -30.024 4.425 -2.406
165 1HG GLN 21 2HG GLN 21 -31.235 3.741 -4.320
166 2HG GLN 21 1HG GLN 21 -30.146 5.035 -4.800
167 1HE2 GLN 21 2HE2 GLN 21 -27.937 2.273 -6.180
168 2HE2 GLN 21 1HE2 GLN 21 -27.815 3.222 -4.744
169 H CYS 22 H CYS 22 -28.089 1.928 -3.798
170 HA CYS 22 HA CYS 22 -26.434 0.799 -1.895
171 1HB CYS 22 2HB CYS 22 -26.343 -0.379 -4.631
172 2HB CYS 22 1HB CYS 22 -26.605 -1.160 -3.076
173 H ASN 23 H ASN 23 -25.484 1.670 -5.230
174 HA ASN 23 HA ASN 23 -22.807 1.059 -5.109
175 1HB ASN 23 2HB ASN 23 -24.208 2.004 -7.073
176 2HB ASN 23 1HB ASN 23 -23.775 3.587 -6.434
177 1HD2 ASN 23 2HD2 ASN 23 -20.580 1.302 -7.541
178 2HD2 ASN 23 1HD2 ASN 23 -21.811 0.665 -6.509
179 H TYR 24 H TYR 24 -23.869 4.423 -4.880
180 HA TYR 24 HA TYR 24 -21.615 5.485 -3.716
181 1HB TYR 24 2HB TYR 24 -22.823 7.340 -4.038
182 2HB TYR 24 1HB TYR 24 -24.245 6.356 -4.343
183 HD1 TYR 24 HD1 TYR 24 -22.232 7.619 -1.503
184 HD2 TYR 24 HD2 TYR 24 -26.101 6.694 -3.000
185 HE1 TYR 24 HE1 TYR 24 -23.223 8.498 0.556
186 HE2 TYR 24 HE2 TYR 24 -27.114 7.582 -0.938
187 HH TYR 24 HH TYR 24 -25.108 8.730 1.752
188 H ASP 25 H ASP 25 -24.419 4.054 -2.049
189 HA ASP 25 HA ASP 25 -23.694 4.745 0.545
190 1HB ASP 25 2HB ASP 25 -25.187 2.342 -0.496
191 2HB ASP 25 1HB ASP 25 -24.908 2.604 1.218
192 H CYS 26 H CYS 26 -23.119 1.520 -0.899
193 HA CYS 26 HA CYS 26 -21.344 0.641 1.044
194 1HB CYS 26 2HB CYS 26 -20.821 -0.105 -1.810
195 2HB CYS 26 1HB CYS 26 -20.840 -1.123 -0.373
196 H LYS 27 H LYS 27 -20.784 2.581 -1.837
197 HA LYS 27 HA LYS 27 -18.006 2.630 -1.841
198 1HB LYS 27 2HB LYS 27 -19.713 3.566 -3.545
199 2HB LYS 27 1HB LYS 27 -19.629 5.038 -2.587
200 1HG LYS 27 2HG LYS 27 -18.050 5.446 -4.198
201 2HG LYS 27 1HG LYS 27 -17.058 4.766 -2.907
202 1HD LYS 27 2HD LYS 27 -17.413 2.513 -4.047
203 2HD LYS 27 1HD LYS 27 -18.023 3.433 -5.422
204 1HE LYS 27 2HE LYS 27 -15.342 3.996 -4.193
205 2HE LYS 27 1HE LYS 27 -15.558 2.775 -5.445
206 1HZ LYS 27 2HZ LYS 27 -16.803 4.857 -6.546
207 2HZ LYS 27 1HZ LYS 27 -15.616 5.665 -5.653
208 3HZ LYS 27 3HZ LYS 27 -15.169 4.503 -6.800
209 H LEU 28 H LEU 28 -19.803 3.510 0.744
210 HA LEU 28 HA LEU 28 -17.622 4.971 1.900
211 1HB LEU 28 2HB LEU 28 -18.642 6.794 0.680
212 2HB LEU 28 1HB LEU 28 -20.209 6.428 1.377
213 HG LEU 28 HG LEU 28 -19.348 7.032 3.608
214 1HD1 LEU 28 3HD1 LEU 28 -16.827 7.412 2.055
215 2HD1 LEU 28 2HD1 LEU 28 -17.138 8.400 3.483
216 3HD1 LEU 28 1HD1 LEU 28 -17.078 6.643 3.622
217 1HD2 LEU 28 2HD2 LEU 28 -19.085 9.085 1.420
218 2HD2 LEU 28 1HD2 LEU 28 -20.496 8.742 2.421
219 3HD2 LEU 28 3HD2 LEU 28 -19.064 9.482 3.139
220 H ASP 29 H ASP 29 -20.987 3.936 2.182
221 HA ASP 29 HA ASP 29 -21.160 4.209 4.997
222 1HB ASP 29 2HB ASP 29 -22.706 2.591 2.979
223 2HB ASP 29 1HB ASP 29 -23.048 2.479 4.702
224 H LYS 30 H LYS 30 -20.563 1.380 2.925
225 HA LYS 30 HA LYS 30 -19.540 -0.073 5.275
226 1HB LYS 30 2HB LYS 30 -20.112 -1.360 2.622
227 2HB LYS 30 1HB LYS 30 -20.091 -2.087 4.222
228 1HG LYS 30 2HG LYS 30 -22.156 -0.035 3.518
229 2HG LYS 30 1HG LYS 30 -22.349 -1.716 3.029
230 1HD LYS 30 2HD LYS 30 -21.622 -1.224 5.863
231 2HD LYS 30 1HD LYS 30 -23.252 -0.765 5.369
232 1HE LYS 30 2HE LYS 30 -23.219 -3.041 6.229
233 2HE LYS 30 1HE LYS 30 -23.629 -3.026 4.514
234 1HZ LYS 30 2HZ LYS 30 -21.334 -3.614 4.007
235 2HZ LYS 30 1HZ LYS 30 -20.961 -3.656 5.657
236 3HZ LYS 30 3HZ LYS 30 -22.053 -4.773 5.007
237 H HIS 31 H HIS 31 -18.379 1.886 3.050
238 HA HIS 31 HA HIS 31 -16.441 2.157 1.887
239 1HB HIS 31 2HB HIS 31 -14.492 0.885 3.354
240 2HB HIS 31 1HB HIS 31 -15.143 2.479 3.710
241 HD1 HIS 31 HD1 HIS 31 -15.143 -1.040 4.919
242 HD2 HIS 31 HD2 HIS 31 -16.894 2.595 5.909
243 HE1 HIS 31 HE1 HIS 31 -16.126 -1.370 7.210
244 HE2 HIS 31 HE2 HIS 31 -17.090 0.873 7.830
245 H ALA 32 H ALA 32 -17.864 0.265 0.667
246 HA ALA 32 HA ALA 32 -16.261 -2.120 0.267
247 1HB ALA 32 2HB ALA 32 -18.826 -2.027 0.283
248 2HB ALA 32 1HB ALA 32 -18.685 -1.361 -1.343
249 3HB ALA 32 3HB ALA 32 -18.049 -2.968 -0.990
250 H ARG 33 H ARG 33 -17.539 -1.652 -2.648
251 HA ARG 33 HA ARG 33 -15.409 0.040 -3.712
252 1HB ARG 33 2HB ARG 33 -15.215 -2.713 -3.744
253 2HB ARG 33 1HB ARG 33 -15.875 -2.364 -5.334
254 1HG ARG 33 2HG ARG 33 -13.443 -1.007 -4.218
255 2HG ARG 33 1HG ARG 33 -13.380 -2.477 -5.194
256 1HD ARG 33 2HD ARG 33 -14.509 -1.305 -7.023
257 2HD ARG 33 1HD ARG 33 -14.576 0.160 -6.045
258 HE ARG 33 HE ARG 33 -11.919 -0.540 -6.158
259 1HH1 ARG 33 1HH2 ARG 33 -14.423 0.247 -8.444
260 2HH1 ARG 33 2HH2 ARG 33 -13.331 0.920 -9.608
261 1HH2 ARG 33 2HH1 ARG 33 -10.469 0.345 -7.683
262 2HH2 ARG 33 1HH1 ARG 33 -11.085 0.978 -9.173
263 H SER 34 H SER 34 -18.357 -1.799 -4.348
264 HA SER 34 HA SER 34 -19.490 0.410 -5.801
265 1HB SER 34 2HB SER 34 -20.006 -1.191 -7.794
266 2HB SER 34 1HB SER 34 -18.420 -0.426 -7.708
267 HG SER 34 HG SER 34 -17.874 -2.476 -7.982
268 H GLY 35 H GLY 35 -21.569 -0.997 -7.069
269 1HA GLY 35 2HA GLY 35 -22.842 -2.998 -5.691
270 2HA GLY 35 1HA GLY 35 -23.238 -1.532 -4.806
271 H GLU 36 H GLU 36 -25.324 -2.801 -5.748
272 HA GLU 36 HA GLU 36 -26.573 -0.951 -7.460
273 1HB GLU 36 2HB GLU 36 -25.048 -2.293 -9.062
274 2HB GLU 36 1HB GLU 36 -26.185 -3.609 -8.821
275 1HG GLU 36 2HG GLU 36 -27.857 -2.566 -9.978
276 2HG GLU 36 1HG GLU 36 -27.244 -0.950 -9.628
277 H CYS 37 H CYS 37 -28.786 -1.777 -8.170
278 HA CYS 37 HA CYS 37 -29.935 -3.198 -5.916
279 1HB CYS 37 2HB CYS 37 -31.372 -1.983 -8.278
280 2HB CYS 37 1HB CYS 37 -32.065 -2.425 -6.721
281 H PHE 38 H PHE 38 -31.204 -5.052 -6.051
282 HA PHE 38 HA PHE 38 -31.373 -6.454 -8.597
283 1HB PHE 38 2HB PHE 38 -29.628 -7.277 -6.337
284 2HB PHE 38 1HB PHE 38 -30.548 -8.553 -7.128
285 HD1 PHE 38 HD1 PHE 38 -27.912 -6.047 -7.542
286 HD2 PHE 38 HD2 PHE 38 -30.076 -9.211 -9.391
287 HE1 PHE 38 HE1 PHE 38 -26.234 -6.138 -9.340
288 HE2 PHE 38 HE2 PHE 38 -28.402 -9.309 -11.191
289 HZ PHE 38 HZ PHE 38 -26.477 -7.772 -11.168
290 H TYR 39 H TYR 39 -33.236 -7.528 -8.792
291 HA TYR 39 HA TYR 39 -35.175 -7.360 -6.705
292 1HB TYR 39 2HB TYR 39 -35.139 -8.375 -9.511
293 2HB TYR 39 1HB TYR 39 -36.454 -8.885 -8.457
294 HD1 TYR 39 HD1 TYR 39 -38.076 -7.261 -7.614
295 HD2 TYR 39 HD2 TYR 39 -34.962 -6.090 -10.266
296 HE1 TYR 39 HE1 TYR 39 -39.267 -5.160 -8.075
297 HE2 TYR 39 HE2 TYR 39 -36.143 -3.983 -10.730
298 HH TYR 39 HH TYR 39 -38.661 -3.222 -10.620
299 H ASP 40 H ASP 40 -36.640 -9.588 -6.724
300 HA ASP 40 HA ASP 40 -35.108 -11.975 -6.372
301 1HB ASP 40 2HB ASP 40 -35.926 -12.072 -3.859
302 2HB ASP 40 1HB ASP 40 -34.406 -11.291 -4.285
303 H GLU 41 H GLU 41 -36.700 -13.472 -4.804
304 HA GLU 41 HA GLU 41 -38.873 -14.053 -6.474
305 1HB GLU 41 2HB GLU 41 -38.498 -14.907 -3.598
306 2HB GLU 41 1HB GLU 41 -39.515 -15.692 -4.798
307 1HG GLU 41 2HG GLU 41 -37.620 -16.390 -6.061
308 2HG GLU 41 1HG GLU 41 -36.534 -15.420 -5.068
309 H LYS 42 H LYS 42 -38.556 -11.798 -3.912
310 HA LYS 42 HA LYS 42 -41.463 -11.558 -3.588
311 1HB LYS 42 2HB LYS 42 -39.191 -10.287 -2.051
312 2HB LYS 42 1HB LYS 42 -40.897 -10.023 -1.720
313 1HG LYS 42 2HG LYS 42 -39.787 -12.793 -1.727
314 2HG LYS 42 1HG LYS 42 -39.565 -11.747 -0.324
315 1HD LYS 42 2HD LYS 42 -41.737 -11.905 0.293
316 2HD LYS 42 1HD LYS 42 -42.319 -11.815 -1.369
317 1HE LYS 42 2HE LYS 42 -41.871 -14.139 -1.721
318 2HE LYS 42 1HE LYS 42 -41.058 -14.270 -0.162
319 1HZ LYS 42 2HZ LYS 42 -43.704 -13.259 0.121
320 2HZ LYS 42 1HZ LYS 42 -43.707 -14.755 -0.670
321 3HZ LYS 42 3HZ LYS 42 -42.987 -14.604 0.854
322 H ARG 43 H ARG 43 -40.043 -10.714 -6.022
323 HA ARG 43 HA ARG 43 -39.688 -8.854 -7.349
324 1HB ARG 43 2HB ARG 43 -42.234 -9.460 -7.208
325 2HB ARG 43 1HB ARG 43 -42.357 -7.927 -6.355
326 1HG ARG 43 2HG ARG 43 -41.295 -6.816 -8.303
327 2HG ARG 43 1HG ARG 43 -41.342 -8.361 -9.157
328 1HD ARG 43 2HD ARG 43 -43.650 -8.349 -9.319
329 2HD ARG 43 1HD ARG 43 -43.843 -7.244 -7.959
330 HE ARG 43 HE ARG 43 -42.705 -5.603 -9.632
331 1HH1 ARG 43 1HH2 ARG 43 -45.065 -8.059 -10.364
332 2HH1 ARG 43 2HH2 ARG 43 -45.724 -7.204 -11.719
333 1HH2 ARG 43 2HH1 ARG 43 -43.564 -4.471 -11.418
334 2HH2 ARG 43 1HH1 ARG 43 -44.867 -5.167 -12.321
335 H ASN 44 H ASN 44 -38.592 -8.483 -4.720
336 HA ASN 44 HA ASN 44 -39.204 -5.702 -4.060
337 1HB ASN 44 2HB ASN 44 -37.904 -7.978 -2.658
338 2HB ASN 44 1HB ASN 44 -37.310 -6.371 -2.256
339 1HD2 ASN 44 2HD2 ASN 44 -39.806 -6.166 0.123
340 2HD2 ASN 44 1HD2 ASN 44 -38.120 -6.162 -0.254
341 H LEU 45 H LEU 45 -36.675 -4.944 -3.048
342 HA LEU 45 HA LEU 45 -34.830 -5.112 -5.305
343 1HB LEU 45 2HB LEU 45 -36.234 -2.638 -4.387
344 2HB LEU 45 1HB LEU 45 -34.606 -2.511 -5.023
345 HG LEU 45 HG LEU 45 -36.615 -3.982 -6.659
346 1HD1 LEU 45 1HD1 LEU 45 -36.527 -0.981 -6.388
347 2HD1 LEU 45 3HD1 LEU 45 -37.342 -1.851 -7.688
348 3HD1 LEU 45 2HD1 LEU 45 -37.888 -2.040 -6.022
349 1HD2 LEU 45 2HD2 LEU 45 -34.359 -2.089 -7.313
350 2HD2 LEU 45 1HD2 LEU 45 -34.293 -3.851 -7.383
351 3HD2 LEU 45 3HD2 LEU 45 -35.346 -2.963 -8.485
352 H GLN 46 H GLN 46 -33.210 -6.022 -4.142
353 HA GLN 46 HA GLN 46 -32.451 -4.852 -1.575
354 1HB GLN 46 2HB GLN 46 -31.376 -7.289 -3.005
355 2HB GLN 46 1HB GLN 46 -30.923 -6.775 -1.384
356 1HG GLN 46 2HG GLN 46 -32.992 -7.331 -0.492
357 2HG GLN 46 1HG GLN 46 -33.781 -7.324 -2.069
358 1HE2 GLN 46 2HE2 GLN 46 -32.147 -10.507 -2.932
359 2HE2 GLN 46 1HE2 GLN 46 -32.169 -8.898 -3.561
360 H CYS 47 H CYS 47 -30.377 -4.085 -1.114
361 HA CYS 47 HA CYS 47 -29.018 -2.895 -3.412
362 1HB CYS 47 2HB CYS 47 -29.352 -2.217 -0.555
363 2HB CYS 47 1HB CYS 47 -27.774 -1.829 -1.228
364 H ILE 48 H ILE 48 -27.426 -4.080 -4.263
365 HA ILE 48 HA ILE 48 -25.889 -5.915 -2.628
366 HB ILE 48 HB ILE 48 -25.865 -5.370 -5.589
367 1HG1 ILE 48 2HG1 ILE 48 -27.785 -6.647 -4.436
368 2HG1 ILE 48 1HG1 ILE 48 -27.017 -7.403 -5.829
369 1HG2 ILE 48 3HG2 ILE 48 -24.082 -7.068 -3.896
370 2HG2 ILE 48 2HG2 ILE 48 -24.456 -7.550 -5.551
371 3HG2 ILE 48 1HG2 ILE 48 -23.669 -6.003 -5.239
372 1HD1 ILE 48 2HD1 ILE 48 -25.801 -8.109 -3.267
373 2HD1 ILE 48 1HD1 ILE 48 -27.482 -8.613 -3.444
374 3HD1 ILE 48 3HD1 ILE 48 -26.278 -9.131 -4.624
375 H CYS 49 H CYS 49 -23.929 -5.551 -1.821
376 HA CYS 49 HA CYS 49 -22.473 -3.126 -2.668
377 1HB CYS 49 2HB CYS 49 -22.539 -4.632 -0.059
378 2HB CYS 49 1HB CYS 49 -21.278 -3.464 -0.432
379 H ASP 50 H ASP 50 -20.791 -3.490 -3.946
380 HA ASP 50 HA ASP 50 -19.465 -6.101 -3.892
381 1HB ASP 50 2HB ASP 50 -19.986 -4.093 -5.930
382 2HB ASP 50 1HB ASP 50 -18.279 -4.521 -5.901
383 H TYR 51 H TYR 51 -17.466 -6.414 -3.159
384 HA TYR 51 HA TYR 51 -16.113 -4.130 -1.918
385 1HB TYR 51 2HB TYR 51 -16.011 -7.098 -1.476
386 2HB TYR 51 1HB TYR 51 -14.812 -6.016 -0.768
387 HD1 TYR 51 HD2 TYR 51 -18.522 -6.250 -1.113
388 HD2 TYR 51 HD1 TYR 51 -15.221 -5.315 1.402
389 HE1 TYR 51 HE2 TYR 51 -20.070 -5.791 0.736
390 HE2 TYR 51 HE1 TYR 51 -16.763 -4.854 3.264
391 HH TYR 51 HH TYR 51 -20.060 -5.717 3.171
392 H CYS 52 H CYS 52 -15.582 -6.694 -4.276
393 HA CYS 52 HA CYS 52 -13.257 -5.251 -5.242
394 1HB CYS 52 2HB CYS 52 -12.455 -8.008 -5.209
395 2HB CYS 52 1HB CYS 52 -11.700 -6.639 -4.415
396 H GLU 53 H GLU 53 -13.848 -8.616 -5.994
397 HA GLU 53 HA GLU 53 -15.655 -8.383 -8.098
398 1HB GLU 53 2HB GLU 53 -14.257 -8.429 -10.067
399 2HB GLU 53 1HB GLU 53 -13.852 -6.995 -9.139
400 1HG GLU 53 2HG GLU 53 -12.017 -8.569 -8.117
401 2HG GLU 53 1HG GLU 53 -12.264 -9.456 -9.621
402 H TYR 54 HN TYR 54 -12.809 -9.940 -6.789
403 HA TYR 54 HA TYR 54 -13.749 -12.550 -7.780
404 1HB TYR 54 2HB TYR 54 -11.159 -11.353 -7.657
405 2HB TYR 54 1HB TYR 54 -11.150 -12.739 -6.575
406 HD1 TYR 54 HD1 TYR 54 -12.879 -12.205 -9.844
407 HD2 TYR 54 HD2 TYR 54 -9.985 -14.425 -7.652
408 HE1 TYR 54 HE1 TYR 54 -12.585 -13.706 -11.764
409 HE2 TYR 54 HE2 TYR 54 -9.679 -15.929 -9.572
410 HH TYR 54 HH TYR 54 -11.296 -16.620 -11.639
No H/Q in entry = 410
Start of MODEL 37
1 HN PCA 1 HN PCA 1 -17.179 -13.448 -10.741
2 HA PCA 1 HA PCA 1 -19.656 -13.347 -10.221
3 1HB PCA 1 1HB PCA 1 -20.964 -14.276 -11.817
4 2HB PCA 1 2HB PCA 1 -20.425 -15.890 -11.298
5 1HG PCA 1 1HG PCA 1 -19.680 -14.470 -13.683
6 2HG PCA 1 2HG PCA 1 -19.048 -16.026 -13.116
7 H ASP 2 H ASP 2 -17.057 -14.652 -9.282
8 HA ASP 2 HA ASP 2 -17.717 -17.080 -7.990
9 1HB ASP 2 2HB ASP 2 -15.677 -16.308 -6.498
10 2HB ASP 2 1HB ASP 2 -15.433 -16.820 -8.166
11 H LYS 3 H LYS 3 -16.448 -14.773 -5.795
12 HA LYS 3 HA LYS 3 -19.023 -14.331 -4.499
13 1HB LYS 3 2HB LYS 3 -17.760 -16.473 -3.675
14 2HB LYS 3 1HB LYS 3 -16.754 -15.316 -2.814
15 1HG LYS 3 2HG LYS 3 -19.748 -15.426 -2.575
16 2HG LYS 3 1HG LYS 3 -18.646 -16.281 -1.497
17 1HD LYS 3 2HD LYS 3 -17.576 -13.858 -1.283
18 2HD LYS 3 1HD LYS 3 -19.212 -13.371 -1.732
19 1HE LYS 3 2HE LYS 3 -19.294 -13.426 0.590
20 2HE LYS 3 1HE LYS 3 -19.965 -14.987 0.129
21 1HZ LYS 3 1HZ LYS 3 -17.431 -15.659 0.344
22 2HZ LYS 3 3HZ LYS 3 -17.434 -14.367 1.437
23 3HZ LYS 3 2HZ LYS 3 -18.481 -15.677 1.671
24 H CYS 4 H CYS 4 -19.186 -12.378 -3.635
25 HA CYS 4 HA CYS 4 -17.518 -10.875 -2.179
26 1HB CYS 4 2HB CYS 4 -16.607 -10.914 -4.999
27 2HB CYS 4 1HB CYS 4 -16.640 -9.329 -4.232
28 H LYS 5 H LYS 5 -20.200 -11.139 -2.482
29 HA LYS 5 HA LYS 5 -21.014 -8.390 -3.042
30 1HB LYS 5 2HB LYS 5 -22.839 -10.562 -3.990
31 2HB LYS 5 1HB LYS 5 -22.722 -8.893 -4.520
32 1HG LYS 5 2HG LYS 5 -20.517 -10.835 -5.101
33 2HG LYS 5 1HG LYS 5 -21.962 -10.771 -6.102
34 1HD LYS 5 2HD LYS 5 -20.419 -8.277 -5.479
35 2HD LYS 5 1HD LYS 5 -19.909 -9.353 -6.781
36 1HE LYS 5 2HE LYS 5 -22.303 -9.163 -7.649
37 2HE LYS 5 1HE LYS 5 -22.484 -7.822 -6.521
38 1HZ LYS 5 2HZ LYS 5 -20.169 -7.762 -8.292
39 2HZ LYS 5 1HZ LYS 5 -21.680 -7.480 -8.999
40 3HZ LYS 5 3HZ LYS 5 -21.137 -6.494 -7.735
41 H LYS 6 H LYS 6 -21.318 -8.038 -0.844
42 HA LYS 6 HA LYS 6 -23.140 -9.825 0.603
43 1HB LYS 6 2HB LYS 6 -21.348 -7.578 1.520
44 2HB LYS 6 1HB LYS 6 -22.469 -8.417 2.586
45 1HG LYS 6 2HG LYS 6 -21.317 -10.493 2.264
46 2HG LYS 6 1HG LYS 6 -20.277 -9.774 1.034
47 1HD LYS 6 2HD LYS 6 -19.067 -8.549 2.586
48 2HD LYS 6 1HD LYS 6 -20.355 -8.614 3.792
49 1HE LYS 6 2HE LYS 6 -19.713 -10.657 4.561
50 2HE LYS 6 1HE LYS 6 -19.166 -11.202 2.976
51 1HZ LYS 6 1HZ LYS 6 -17.707 -9.208 4.615
52 2HZ LYS 6 3HZ LYS 6 -17.367 -10.867 4.632
53 3HZ LYS 6 2HZ LYS 6 -17.165 -9.976 3.209
54 H VAL 7 H VAL 7 -25.218 -9.331 0.973
55 HA VAL 7 HA VAL 7 -26.384 -7.034 -0.166
56 HB VAL 7 HB VAL 7 -28.444 -7.838 0.441
57 1HG1 VAL 7 2HG1 VAL 7 -27.058 -9.508 -0.825
58 2HG1 VAL 7 1HG1 VAL 7 -26.845 -10.364 0.702
59 3HG1 VAL 7 3HG1 VAL 7 -28.460 -10.158 0.026
60 1HG2 VAL 7 2HG2 VAL 7 -27.112 -8.823 2.931
61 2HG2 VAL 7 1HG2 VAL 7 -28.528 -7.785 2.749
62 3HG2 VAL 7 3HG2 VAL 7 -28.651 -9.513 2.416
63 H TYR 8 H TYR 8 -26.917 -5.091 0.609
64 HA TYR 8 HA TYR 8 -25.882 -4.282 3.180
65 1HB TYR 8 2HB TYR 8 -25.919 -2.849 1.058
66 2HB TYR 8 1HB TYR 8 -27.649 -2.671 1.317
67 HD1 TYR 8 HD1 TYR 8 -28.366 -1.684 3.602
68 HD2 TYR 8 HD2 TYR 8 -24.439 -1.338 2.043
69 HE1 TYR 8 HE1 TYR 8 -27.952 0.227 5.090
70 HE2 TYR 8 HE2 TYR 8 -24.007 0.573 3.515
71 HH TYR 8 HH TYR 8 -25.095 1.334 5.906
72 H GLU 9 H GLU 9 -27.056 -5.400 4.735
73 HA GLU 9 HA GLU 9 -29.713 -6.027 4.764
74 1HB GLU 9 2HB GLU 9 -28.849 -5.156 7.423
75 2HB GLU 9 1HB GLU 9 -29.285 -6.761 6.857
76 1HG GLU 9 2HG GLU 9 -27.001 -6.935 5.858
77 2HG GLU 9 1HG GLU 9 -26.604 -5.419 6.665
78 H ASN 10 H ASN 10 -31.233 -4.997 6.618
79 HA ASN 10 HA ASN 10 -32.904 -3.321 6.389
80 1HB ASN 10 2HB ASN 10 -30.639 -2.378 8.138
81 2HB ASN 10 1HB ASN 10 -32.183 -1.536 8.058
82 1HD2 ASN 10 2HD2 ASN 10 -32.620 -3.658 10.908
83 2HD2 ASN 10 1HD2 ASN 10 -31.873 -2.175 10.431
84 H TYR 11 H TYR 11 -33.396 -2.197 4.650
85 HA TYR 11 HA TYR 11 -32.283 0.357 4.123
86 1HB TYR 11 2HB TYR 11 -30.567 -1.370 3.191
87 2HB TYR 11 1HB TYR 11 -31.744 -1.601 1.906
88 HD1 TYR 11 HD2 TYR 11 -29.602 0.940 3.550
89 HD2 TYR 11 HD1 TYR 11 -31.875 -0.083 0.097
90 HE1 TYR 11 HE2 TYR 11 -28.685 2.893 2.374
91 HE2 TYR 11 HE1 TYR 11 -30.971 1.879 -1.078
92 HH TYR 11 HH TYR 11 -29.312 3.440 -1.039
93 HA PRO 12 HA PRO 12 -36.339 1.015 2.388
94 1HB PRO 12 2HB PRO 12 -34.805 2.317 0.168
95 2HB PRO 12 1HB PRO 12 -36.252 2.881 1.015
96 1HG PRO 12 2HG PRO 12 -33.867 3.868 1.630
97 2HG PRO 12 1HG PRO 12 -35.059 3.525 2.896
98 1HD PRO 12 2HD PRO 12 -32.569 2.069 2.201
99 2HD PRO 12 1HD PRO 12 -33.400 2.222 3.762
100 H VAL 13 H VAL 13 -36.280 1.444 -0.662
101 HA VAL 13 HA VAL 13 -35.568 -0.973 -1.918
102 HB VAL 13 HB VAL 13 -38.289 -0.864 -0.666
103 1HG1 VAL 13 1HG1 VAL 13 -37.764 -1.973 -3.400
104 2HG1 VAL 13 3HG1 VAL 13 -39.049 -2.611 -2.373
105 3HG1 VAL 13 2HG1 VAL 13 -39.067 -0.915 -2.857
106 1HG2 VAL 13 3HG2 VAL 13 -36.067 -2.781 -0.790
107 2HG2 VAL 13 2HG2 VAL 13 -37.325 -2.580 0.427
108 3HG2 VAL 13 1HG2 VAL 13 -37.650 -3.518 -1.022
109 H SER 14 H SER 14 -38.322 1.302 -1.916
110 HA SER 14 HA SER 14 -38.663 1.390 -4.684
111 1HB SER 14 2HB SER 14 -40.073 3.285 -4.317
112 2HB SER 14 1HB SER 14 -40.273 2.219 -2.926
113 HG SER 14 HG SER 14 -39.979 4.233 -2.099
114 H LYS 15 H LYS 15 -36.211 1.442 -5.072
115 HA LYS 15 HA LYS 15 -35.584 3.875 -6.312
116 1HB LYS 15 2HB LYS 15 -34.841 3.730 -3.532
117 2HB LYS 15 1HB LYS 15 -33.386 3.820 -4.517
118 1HG LYS 15 2HG LYS 15 -34.317 5.822 -5.635
119 2HG LYS 15 1HG LYS 15 -35.699 5.751 -4.541
120 1HD LYS 15 2HD LYS 15 -33.774 5.709 -2.717
121 2HD LYS 15 1HD LYS 15 -32.877 6.517 -4.004
122 1HE LYS 15 2HE LYS 15 -35.369 7.413 -2.596
123 2HE LYS 15 1HE LYS 15 -33.831 8.256 -2.756
124 1HZ LYS 15 2HZ LYS 15 -34.356 8.285 -5.232
125 2HZ LYS 15 1HZ LYS 15 -35.939 7.883 -4.791
126 3HZ LYS 15 3HZ LYS 15 -35.248 9.324 -4.238
127 H CYS 16 H CYS 16 -33.615 1.497 -4.560
128 HA CYS 16 HA CYS 16 -31.587 0.608 -5.447
129 1HB CYS 16 2HB CYS 16 -33.961 -0.883 -5.338
130 2HB CYS 16 1HB CYS 16 -33.130 -1.411 -6.794
131 H GLN 17 H GLN 17 -33.956 0.236 -8.090
132 HA GLN 17 HA GLN 17 -32.151 -0.104 -10.157
133 1HB GLN 17 2HB GLN 17 -34.790 1.312 -10.489
134 2HB GLN 17 1HB GLN 17 -33.941 0.320 -11.665
135 1HG GLN 17 2HG GLN 17 -34.504 -1.661 -10.584
136 2HG GLN 17 1HG GLN 17 -34.909 -0.836 -9.081
137 1HE2 GLN 17 2HE2 GLN 17 -38.199 -0.107 -9.975
138 2HE2 GLN 17 1HE2 GLN 17 -36.895 0.186 -8.880
139 H LEU 18 H LEU 18 -30.860 1.778 -8.853
140 HA LEU 18 HA LEU 18 -30.412 3.799 -10.807
141 1HB LEU 18 2HB LEU 18 -31.801 4.491 -8.235
142 2HB LEU 18 1HB LEU 18 -30.677 5.636 -8.936
143 HG LEU 18 HG LEU 18 -33.293 4.679 -10.081
144 1HD1 LEU 18 2HD1 LEU 18 -32.204 7.369 -9.290
145 2HD1 LEU 18 1HD1 LEU 18 -33.732 7.121 -10.134
146 3HD1 LEU 18 3HD1 LEU 18 -33.507 6.469 -8.512
147 1HD2 LEU 18 1HD2 LEU 18 -30.956 5.927 -11.449
148 2HD2 LEU 18 3HD2 LEU 18 -32.091 4.715 -12.041
149 3HD2 LEU 18 2HD2 LEU 18 -32.585 6.404 -11.931
150 H ALA 19 H ALA 19 -28.306 3.197 -10.835
151 HA ALA 19 HA ALA 19 -26.706 2.372 -8.766
152 1HB ALA 19 2HB ALA 19 -26.027 3.890 -11.267
153 2HB ALA 19 1HB ALA 19 -24.795 3.304 -10.150
154 3HB ALA 19 3HB ALA 19 -25.870 2.162 -10.956
155 H ASN 20 H ASN 20 -27.211 3.564 -6.904
156 HA ASN 20 HA ASN 20 -25.478 5.720 -6.356
157 1HB ASN 20 2HB ASN 20 -27.041 7.040 -7.658
158 2HB ASN 20 1HB ASN 20 -28.398 6.416 -6.724
159 1HD2 ASN 20 2HD2 ASN 20 -25.866 8.723 -4.521
160 2HD2 ASN 20 1HD2 ASN 20 -25.282 7.377 -5.431
161 H GLN 21 H GLN 21 -28.805 5.302 -5.219
162 HA GLN 21 HA GLN 21 -28.134 5.320 -2.502
163 1HB GLN 21 2HB GLN 21 -30.532 4.957 -4.117
164 2HB GLN 21 1HB GLN 21 -30.588 4.004 -2.643
165 1HG GLN 21 2HG GLN 21 -31.596 6.090 -2.174
166 2HG GLN 21 1HG GLN 21 -30.025 6.081 -1.377
167 1HE2 GLN 21 2HE2 GLN 21 -28.645 8.648 -3.326
168 2HE2 GLN 21 1HE2 GLN 21 -28.314 7.293 -2.308
169 H CYS 22 H CYS 22 -26.431 3.532 -3.671
170 HA CYS 22 HA CYS 22 -26.537 1.315 -1.920
171 1HB CYS 22 2HB CYS 22 -26.719 0.565 -4.843
172 2HB CYS 22 1HB CYS 22 -26.751 -0.511 -3.464
173 H ASN 23 H ASN 23 -25.372 2.148 -5.187
174 HA ASN 23 HA ASN 23 -22.777 1.162 -4.898
175 1HB ASN 23 2HB ASN 23 -24.242 2.588 -6.861
176 2HB ASN 23 1HB ASN 23 -22.772 3.512 -6.576
177 1HD2 ASN 23 2HD2 ASN 23 -21.125 1.492 -8.834
178 2HD2 ASN 23 1HD2 ASN 23 -21.583 3.075 -8.313
179 H TYR 24 H TYR 24 -23.972 4.485 -4.512
180 HA TYR 24 HA TYR 24 -21.596 5.640 -3.610
181 1HB TYR 24 2HB TYR 24 -22.975 7.410 -3.839
182 2HB TYR 24 1HB TYR 24 -24.392 6.373 -3.776
183 HD1 TYR 24 HD1 TYR 24 -21.809 7.430 -1.294
184 HD2 TYR 24 HD2 TYR 24 -25.943 7.125 -2.243
185 HE1 TYR 24 HE1 TYR 24 -22.372 8.351 0.906
186 HE2 TYR 24 HE2 TYR 24 -26.523 8.051 -0.040
187 HH TYR 24 HH TYR 24 -24.074 9.303 2.131
188 H ASP 25 H ASP 25 -24.251 4.167 -1.771
189 HA ASP 25 HA ASP 25 -23.220 4.601 0.785
190 1HB ASP 25 2HB ASP 25 -24.999 2.393 -0.255
191 2HB ASP 25 1HB ASP 25 -24.651 2.640 1.453
192 H CYS 26 H CYS 26 -23.171 1.420 -0.866
193 HA CYS 26 HA CYS 26 -21.341 0.247 0.840
194 1HB CYS 26 2HB CYS 26 -21.530 -0.276 -2.137
195 2HB CYS 26 1HB CYS 26 -20.889 -1.373 -0.919
196 H LYS 27 H LYS 27 -20.770 2.207 -2.036
197 HA LYS 27 HA LYS 27 -17.995 1.914 -2.200
198 1HB LYS 27 2HB LYS 27 -19.251 2.877 -4.017
199 2HB LYS 27 1HB LYS 27 -19.759 4.226 -3.007
200 1HG LYS 27 2HG LYS 27 -17.747 5.290 -3.164
201 2HG LYS 27 1HG LYS 27 -16.845 3.789 -3.383
202 1HD LYS 27 2HD LYS 27 -17.279 3.699 -5.646
203 2HD LYS 27 1HD LYS 27 -18.757 4.654 -5.505
204 1HE LYS 27 2HE LYS 27 -16.604 5.702 -6.557
205 2HE LYS 27 1HE LYS 27 -17.626 6.656 -5.483
206 1HZ LYS 27 3HZ LYS 27 -15.192 5.189 -4.620
207 2HZ LYS 27 2HZ LYS 27 -15.239 6.841 -4.974
208 3HZ LYS 27 1HZ LYS 27 -16.132 6.232 -3.674
209 H LEU 28 H LEU 28 -19.481 2.932 0.489
210 HA LEU 28 HA LEU 28 -17.123 4.249 1.463
211 1HB LEU 28 2HB LEU 28 -18.219 6.082 0.235
212 2HB LEU 28 1HB LEU 28 -19.650 5.878 1.226
213 HG LEU 28 HG LEU 28 -18.447 6.591 3.201
214 1HD1 LEU 28 1HD1 LEU 28 -16.077 6.470 1.378
215 2HD1 LEU 28 3HD1 LEU 28 -16.083 7.536 2.784
216 3HD1 LEU 28 2HD1 LEU 28 -16.278 5.796 2.995
217 1HD2 LEU 28 3HD2 LEU 28 -19.356 8.226 1.389
218 2HD2 LEU 28 2HD2 LEU 28 -18.373 8.844 2.717
219 3HD2 LEU 28 1HD2 LEU 28 -17.648 8.587 1.128
220 H ASP 29 H ASP 29 -20.561 3.595 2.038
221 HA ASP 29 HA ASP 29 -20.400 3.796 4.864
222 1HB ASP 29 2HB ASP 29 -22.417 2.512 3.021
223 2HB ASP 29 1HB ASP 29 -22.603 2.530 4.773
224 H LYS 30 H LYS 30 -19.291 1.442 2.711
225 HA LYS 30 HA LYS 30 -18.842 -0.421 4.935
226 1HB LYS 30 2HB LYS 30 -20.516 -0.909 2.611
227 2HB LYS 30 1HB LYS 30 -19.206 -2.070 2.688
228 1HG LYS 30 2HG LYS 30 -20.964 -3.071 3.844
229 2HG LYS 30 1HG LYS 30 -19.886 -2.464 5.100
230 1HD LYS 30 2HD LYS 30 -21.340 -0.776 5.713
231 2HD LYS 30 1HD LYS 30 -22.156 -0.761 4.149
232 1HE LYS 30 2HE LYS 30 -22.402 -2.812 6.340
233 2HE LYS 30 1HE LYS 30 -23.648 -1.711 5.752
234 1HZ LYS 30 3HZ LYS 30 -23.022 -3.000 3.510
235 2HZ LYS 30 2HZ LYS 30 -22.724 -4.225 4.638
236 3HZ LYS 30 1HZ LYS 30 -24.250 -3.500 4.561
237 H HIS 31 H HIS 31 -17.472 1.518 2.794
238 HA HIS 31 HA HIS 31 -15.477 1.662 1.714
239 1HB HIS 31 2HB HIS 31 -13.812 -0.174 3.029
240 2HB HIS 31 1HB HIS 31 -14.039 1.520 3.442
241 HD1 HIS 31 HD1 HIS 31 -14.176 -1.702 4.919
242 HD2 HIS 31 HD2 HIS 31 -16.417 1.775 5.301
243 HE1 HIS 31 HE1 HIS 31 -15.362 -1.907 7.126
244 HE2 HIS 31 HE2 HIS 31 -16.782 0.167 7.294
245 H ALA 32 H ALA 32 -17.359 -0.142 0.592
246 HA ALA 32 HA ALA 32 -15.882 -2.480 -0.285
247 1HB ALA 32 1HB ALA 32 -18.672 -1.545 -0.417
248 2HB ALA 32 3HB ALA 32 -18.138 -2.467 -1.821
249 3HB ALA 32 2HB ALA 32 -18.035 -3.174 -0.210
250 H ARG 33 H ARG 33 -16.665 -2.727 -2.914
251 HA ARG 33 HA ARG 33 -14.960 -0.725 -4.198
252 1HB ARG 33 2HB ARG 33 -14.380 -3.029 -4.656
253 2HB ARG 33 1HB ARG 33 -16.028 -3.391 -5.145
254 1HG ARG 33 2HG ARG 33 -14.693 -3.215 -7.106
255 2HG ARG 33 1HG ARG 33 -15.753 -1.809 -7.043
256 1HD ARG 33 2HD ARG 33 -13.290 -1.206 -5.686
257 2HD ARG 33 1HD ARG 33 -12.940 -1.840 -7.293
258 HE ARG 33 HE ARG 33 -14.071 0.698 -6.664
259 1HH1 ARG 33 1HH2 ARG 33 -14.065 -1.849 -9.036
260 2HH1 ARG 33 2HH2 ARG 33 -14.468 -0.800 -10.354
261 1HH2 ARG 33 2HH1 ARG 33 -14.600 2.092 -8.392
262 2HH2 ARG 33 1HH1 ARG 33 -14.770 1.442 -9.988
263 H SER 34 H SER 34 -18.215 -1.920 -4.104
264 HA SER 34 HA SER 34 -19.310 0.426 -5.229
265 1HB SER 34 2HB SER 34 -20.375 -0.978 -7.216
266 2HB SER 34 1HB SER 34 -18.814 -0.178 -7.403
267 HG SER 34 HG SER 34 -18.661 -2.315 -8.098
268 H GLY 35 H GLY 35 -21.780 -0.292 -5.987
269 1HA GLY 35 2HA GLY 35 -22.759 -2.353 -4.199
270 2HA GLY 35 1HA GLY 35 -23.256 -0.726 -3.796
271 H GLU 36 H GLU 36 -23.660 -3.432 -5.853
272 HA GLU 36 HA GLU 36 -25.365 -2.183 -7.782
273 1HB GLU 36 2HB GLU 36 -23.952 -4.340 -8.012
274 2HB GLU 36 1HB GLU 36 -25.303 -5.134 -7.216
275 1HG GLU 36 2HG GLU 36 -26.353 -5.308 -9.173
276 2HG GLU 36 1HG GLU 36 -26.376 -3.552 -9.311
277 H CYS 37 H CYS 37 -27.380 -4.143 -7.960
278 HA CYS 37 HA CYS 37 -28.938 -4.100 -5.521
279 1HB CYS 37 2HB CYS 37 -29.394 -2.230 -7.755
280 2HB CYS 37 1HB CYS 37 -30.829 -3.094 -7.240
281 H PHE 38 H PHE 38 -30.387 -5.879 -5.483
282 HA PHE 38 HA PHE 38 -31.018 -7.153 -8.040
283 1HB PHE 38 2HB PHE 38 -29.224 -8.389 -5.982
284 2HB PHE 38 1HB PHE 38 -30.200 -9.400 -7.043
285 HD1 PHE 38 HD2 PHE 38 -30.016 -8.809 -9.601
286 HD2 PHE 38 HD1 PHE 38 -27.109 -7.798 -6.662
287 HE1 PHE 38 HE2 PHE 38 -28.307 -8.616 -11.360
288 HE2 PHE 38 HE1 PHE 38 -25.397 -7.601 -8.416
289 HZ PHE 38 HZ PHE 38 -25.993 -8.012 -10.767
290 H TYR 39 H TYR 39 -32.466 -8.906 -7.980
291 HA TYR 39 HA TYR 39 -33.870 -9.724 -5.675
292 1HB TYR 39 2HB TYR 39 -35.627 -8.332 -5.536
293 2HB TYR 39 1HB TYR 39 -34.642 -7.273 -6.522
294 HD1 TYR 39 HD2 TYR 39 -34.827 -8.238 -9.181
295 HD2 TYR 39 HD1 TYR 39 -37.800 -8.073 -6.138
296 HE1 TYR 39 HE2 TYR 39 -36.583 -8.096 -10.903
297 HE2 TYR 39 HE1 TYR 39 -39.545 -7.913 -7.838
298 HH TYR 39 HH TYR 39 -39.505 -8.789 -10.623
299 H ASP 40 H ASP 40 -36.415 -10.142 -7.128
300 HA ASP 40 HA ASP 40 -36.156 -11.305 -9.614
301 1HB ASP 40 2HB ASP 40 -36.233 -13.795 -8.716
302 2HB ASP 40 1HB ASP 40 -34.700 -12.988 -9.032
303 H GLU 41 H GLU 41 -38.180 -10.571 -9.898
304 HA GLU 41 HA GLU 41 -40.414 -10.947 -10.174
305 1HB GLU 41 2HB GLU 41 -40.422 -12.827 -7.817
306 2HB GLU 41 1HB GLU 41 -41.624 -12.673 -9.081
307 1HG GLU 41 2HG GLU 41 -39.644 -13.338 -10.650
308 2HG GLU 41 1HG GLU 41 -38.965 -14.006 -9.167
309 H LYS 42 H LYS 42 -39.939 -11.276 -6.657
310 HA LYS 42 HA LYS 42 -40.954 -8.607 -6.207
311 1HB LYS 42 2HB LYS 42 -42.446 -11.116 -5.553
312 2HB LYS 42 1HB LYS 42 -42.540 -9.774 -4.423
313 1HG LYS 42 2HG LYS 42 -43.002 -8.841 -7.117
314 2HG LYS 42 1HG LYS 42 -44.086 -10.176 -6.738
315 1HD LYS 42 2HD LYS 42 -45.079 -8.010 -6.169
316 2HD LYS 42 1HD LYS 42 -44.846 -9.014 -4.736
317 1HE LYS 42 2HE LYS 42 -42.659 -7.144 -5.472
318 2HE LYS 42 1HE LYS 42 -44.138 -6.448 -4.810
319 1HZ LYS 42 2HZ LYS 42 -43.660 -8.494 -3.125
320 2HZ LYS 42 1HZ LYS 42 -42.088 -7.993 -3.500
321 3HZ LYS 42 3HZ LYS 42 -43.196 -6.891 -2.851
322 H ARG 43 H ARG 43 -38.458 -10.102 -5.839
323 HA ARG 43 HA ARG 43 -38.162 -10.806 -3.146
324 1HB ARG 43 2HB ARG 43 -36.436 -10.578 -5.450
325 2HB ARG 43 1HB ARG 43 -35.618 -10.015 -4.003
326 1HG ARG 43 2HG ARG 43 -36.833 -12.722 -4.483
327 2HG ARG 43 1HG ARG 43 -35.126 -12.325 -4.287
328 1HD ARG 43 2HD ARG 43 -36.116 -11.346 -1.971
329 2HD ARG 43 1HD ARG 43 -37.242 -12.673 -2.255
330 HE ARG 43 HE ARG 43 -34.378 -13.236 -2.389
331 1HH1 ARG 43 1HH2 ARG 43 -37.424 -13.502 -0.721
332 2HH1 ARG 43 2HH2 ARG 43 -36.886 -14.767 0.334
333 1HH2 ARG 43 2HH1 ARG 43 -33.655 -14.901 -0.996
334 2HH2 ARG 43 1HH1 ARG 43 -34.742 -15.557 0.181
335 H ASN 44 H ASN 44 -39.273 -8.102 -3.920
336 HA ASN 44 HA ASN 44 -39.371 -6.034 -3.008
337 1HB ASN 44 2HB ASN 44 -37.730 -7.363 -0.855
338 2HB ASN 44 1HB ASN 44 -38.301 -5.703 -0.740
339 1HD2 ASN 44 2HD2 ASN 44 -41.742 -6.651 -0.476
340 2HD2 ASN 44 1HD2 ASN 44 -40.716 -5.500 -1.257
341 H LEU 45 H LEU 45 -36.441 -7.418 -3.855
342 HA LEU 45 HA LEU 45 -34.496 -6.600 -4.651
343 1HB LEU 45 2HB LEU 45 -35.975 -5.531 -6.227
344 2HB LEU 45 1HB LEU 45 -36.377 -4.284 -5.079
345 HG LEU 45 HG LEU 45 -34.391 -3.116 -5.422
346 1HD1 LEU 45 1HD1 LEU 45 -33.297 -5.706 -6.293
347 2HD1 LEU 45 3HD1 LEU 45 -32.659 -4.283 -7.068
348 3HD1 LEU 45 2HD1 LEU 45 -32.565 -4.454 -5.321
349 1HD2 LEU 45 3HD2 LEU 45 -35.380 -4.308 -7.998
350 2HD2 LEU 45 2HD2 LEU 45 -35.790 -2.753 -7.276
351 3HD2 LEU 45 1HD2 LEU 45 -34.183 -3.021 -7.950
352 H GLN 46 H GLN 46 -32.631 -5.905 -3.853
353 HA GLN 46 HA GLN 46 -32.684 -3.800 -1.802
354 1HB GLN 46 2HB GLN 46 -31.616 -6.594 -1.420
355 2HB GLN 46 1HB GLN 46 -31.139 -5.252 -0.391
356 1HG GLN 46 2HG GLN 46 -32.833 -6.201 0.825
357 2HG GLN 46 1HG GLN 46 -33.695 -4.941 -0.055
358 1HE2 GLN 46 2HE2 GLN 46 -34.298 -8.882 -0.964
359 2HE2 GLN 46 1HE2 GLN 46 -32.864 -8.371 -0.144
360 H CYS 47 H CYS 47 -30.531 -3.110 -1.120
361 HA CYS 47 HA CYS 47 -28.836 -2.578 -3.388
362 1HB CYS 47 2HB CYS 47 -28.841 -1.741 -0.494
363 2HB CYS 47 1HB CYS 47 -27.543 -1.283 -1.568
364 H ILE 48 H ILE 48 -27.384 -4.103 -4.003
365 HA ILE 48 HA ILE 48 -26.137 -5.803 -1.985
366 HB ILE 48 HB ILE 48 -26.442 -5.978 -4.944
367 1HG1 ILE 48 2HG1 ILE 48 -27.254 -8.187 -4.433
368 2HG1 ILE 48 1HG1 ILE 48 -26.651 -8.083 -2.784
369 1HG2 ILE 48 3HG2 ILE 48 -24.235 -7.269 -3.366
370 2HG2 ILE 48 2HG2 ILE 48 -24.834 -7.943 -4.882
371 3HG2 ILE 48 1HG2 ILE 48 -24.115 -6.333 -4.856
372 1HD1 ILE 48 1HD1 ILE 48 -28.655 -6.093 -3.712
373 2HD1 ILE 48 3HD1 ILE 48 -29.178 -7.731 -3.315
374 3HD1 ILE 48 2HD1 ILE 48 -28.371 -6.743 -2.097
375 H CYS 49 H CYS 49 -24.148 -5.498 -1.220
376 HA CYS 49 HA CYS 49 -22.485 -3.376 -2.319
377 1HB CYS 49 2HB CYS 49 -22.251 -5.028 0.181
378 2HB CYS 49 1HB CYS 49 -21.039 -3.862 -0.321
379 H ASP 50 H ASP 50 -21.038 -3.759 -3.801
380 HA ASP 50 HA ASP 50 -19.958 -6.449 -4.159
381 1HB ASP 50 2HB ASP 50 -20.793 -5.364 -6.160
382 2HB ASP 50 1HB ASP 50 -19.783 -3.952 -5.861
383 H TYR 51 H TYR 51 -18.094 -6.997 -3.326
384 HA TYR 51 HA TYR 51 -16.257 -4.918 -2.387
385 1HB TYR 51 2HB TYR 51 -16.717 -7.791 -1.670
386 2HB TYR 51 1HB TYR 51 -15.199 -7.004 -1.246
387 HD1 TYR 51 HD1 TYR 51 -18.879 -6.737 -0.848
388 HD2 TYR 51 HD2 TYR 51 -15.057 -5.663 0.674
389 HE1 TYR 51 HE1 TYR 51 -19.949 -5.797 1.156
390 HE2 TYR 51 HE2 TYR 51 -16.114 -4.721 2.684
391 HH TYR 51 HH TYR 51 -18.017 -4.461 3.815
392 H CYS 52 H CYS 52 -16.565 -7.265 -4.869
393 HA CYS 52 HA CYS 52 -13.806 -6.719 -5.695
394 1HB CYS 52 2HB CYS 52 -14.900 -9.522 -5.804
395 2HB CYS 52 1HB CYS 52 -13.234 -8.988 -6.013
396 H GLU 53 H GLU 53 -15.684 -5.392 -6.903
397 HA GLU 53 HA GLU 53 -17.063 -5.175 -8.774
398 1HB GLU 53 2HB GLU 53 -14.907 -4.374 -9.462
399 2HB GLU 53 1HB GLU 53 -14.341 -6.006 -9.772
400 1HG GLU 53 2HG GLU 53 -16.707 -5.467 -11.326
401 2HG GLU 53 1HG GLU 53 -15.503 -4.215 -11.603
402 H TYR 54 HN TYR 54 -15.137 -7.602 -10.369
403 HA TYR 54 HA TYR 54 -17.433 -8.960 -11.332
404 1HB TYR 54 2HB TYR 54 -14.745 -8.833 -12.036
405 2HB TYR 54 1HB TYR 54 -14.951 -10.501 -11.513
406 HD1 TYR 54 HD2 TYR 54 -16.996 -8.057 -13.485
407 HD2 TYR 54 HD1 TYR 54 -15.289 -11.950 -13.271
408 HE1 TYR 54 HE2 TYR 54 -17.979 -8.603 -15.672
409 HE2 TYR 54 HE1 TYR 54 -16.270 -12.504 -15.457
410 HH TYR 54 HH TYR 54 -18.685 -10.767 -16.887
No H/Q in entry = 410
Start of MODEL 38
1 HN PCA 1 HN PCA 1 -14.318 -12.182 0.340
2 HA PCA 1 HA PCA 1 -12.708 -13.680 1.663
3 1HB PCA 1 1HB PCA 1 -13.368 -14.251 3.751
4 2HB PCA 1 2HB PCA 1 -14.835 -15.037 3.120
5 1HG PCA 1 1HG PCA 1 -14.536 -12.376 4.287
6 2HG PCA 1 2HG PCA 1 -16.026 -13.214 3.816
7 H ASP 2 H ASP 2 -15.783 -13.998 0.133
8 HA ASP 2 HA ASP 2 -14.826 -16.331 -1.316
9 1HB ASP 2 2HB ASP 2 -17.102 -17.442 -1.005
10 2HB ASP 2 1HB ASP 2 -16.013 -17.482 0.378
11 H LYS 3 H LYS 3 -18.129 -15.094 -1.056
12 HA LYS 3 HA LYS 3 -18.157 -14.618 -3.915
13 1HB LYS 3 2HB LYS 3 -20.074 -15.735 -2.945
14 2HB LYS 3 1HB LYS 3 -20.324 -14.407 -1.820
15 1HG LYS 3 2HG LYS 3 -21.073 -12.967 -3.510
16 2HG LYS 3 1HG LYS 3 -20.447 -14.003 -4.790
17 1HD LYS 3 2HD LYS 3 -22.419 -15.295 -3.019
18 2HD LYS 3 1HD LYS 3 -23.054 -13.949 -3.965
19 1HE LYS 3 2HE LYS 3 -23.386 -15.937 -5.231
20 2HE LYS 3 1HE LYS 3 -22.087 -15.030 -6.003
21 1HZ LYS 3 3HZ LYS 3 -20.661 -16.564 -4.404
22 2HZ LYS 3 2HZ LYS 3 -21.994 -17.585 -4.601
23 3HZ LYS 3 1HZ LYS 3 -21.124 -17.062 -5.954
24 H CYS 4 H CYS 4 -17.396 -12.779 -4.656
25 HA CYS 4 HA CYS 4 -16.769 -10.478 -3.342
26 1HB CYS 4 2HB CYS 4 -16.951 -11.328 -6.038
27 2HB CYS 4 1HB CYS 4 -17.752 -9.765 -5.958
28 H LYS 5 H LYS 5 -19.926 -11.464 -4.476
29 HA LYS 5 HA LYS 5 -21.089 -8.861 -3.927
30 1HB LYS 5 2HB LYS 5 -22.335 -11.427 -4.909
31 2HB LYS 5 1HB LYS 5 -23.172 -9.889 -4.769
32 1HG LYS 5 2HG LYS 5 -21.759 -8.905 -6.443
33 2HG LYS 5 1HG LYS 5 -20.760 -10.358 -6.508
34 1HD LYS 5 2HD LYS 5 -22.566 -11.639 -7.414
35 2HD LYS 5 1HD LYS 5 -23.701 -10.314 -7.154
36 1HE LYS 5 2HE LYS 5 -21.300 -9.869 -8.868
37 2HE LYS 5 1HE LYS 5 -22.677 -10.750 -9.526
38 1HZ LYS 5 2HZ LYS 5 -24.064 -8.810 -8.787
39 2HZ LYS 5 1HZ LYS 5 -22.622 -7.972 -8.505
40 3HZ LYS 5 3HZ LYS 5 -23.003 -8.498 -10.066
41 H LYS 6 H LYS 6 -22.265 -8.304 -2.216
42 HA LYS 6 HA LYS 6 -23.380 -10.328 -0.441
43 1HB LYS 6 2HB LYS 6 -21.477 -8.193 0.546
44 2HB LYS 6 1HB LYS 6 -22.443 -9.236 1.573
45 1HG LYS 6 2HG LYS 6 -20.599 -10.517 1.640
46 2HG LYS 6 1HG LYS 6 -21.142 -11.078 0.061
47 1HD LYS 6 2HD LYS 6 -19.668 -9.580 -1.067
48 2HD LYS 6 1HD LYS 6 -19.290 -8.727 0.432
49 1HE LYS 6 2HE LYS 6 -17.664 -10.555 -0.581
50 2HE LYS 6 1HE LYS 6 -17.861 -10.348 1.159
51 1HZ LYS 6 3HZ LYS 6 -19.724 -12.096 0.845
52 2HZ LYS 6 2HZ LYS 6 -18.904 -12.474 -0.584
53 3HZ LYS 6 1HZ LYS 6 -18.110 -12.603 0.903
54 H VAL 7 H VAL 7 -25.403 -9.747 0.007
55 HA VAL 7 HA VAL 7 -26.531 -7.315 -0.802
56 HB VAL 7 HB VAL 7 -28.558 -8.027 0.142
57 1HG1 VAL 7 2HG1 VAL 7 -27.710 -9.477 -1.662
58 2HG1 VAL 7 1HG1 VAL 7 -27.026 -10.556 -0.447
59 3HG1 VAL 7 3HG1 VAL 7 -28.773 -10.334 -0.546
60 1HG2 VAL 7 2HG2 VAL 7 -26.830 -9.473 2.104
61 2HG2 VAL 7 1HG2 VAL 7 -28.195 -8.392 2.392
62 3HG2 VAL 7 3HG2 VAL 7 -28.475 -10.033 1.808
63 H TYR 8 H TYR 8 -27.211 -5.496 0.303
64 HA TYR 8 HA TYR 8 -25.695 -4.890 2.705
65 1HB TYR 8 2HB TYR 8 -25.730 -3.226 0.929
66 2HB TYR 8 1HB TYR 8 -27.484 -3.179 0.970
67 HD1 TYR 8 HD1 TYR 8 -26.177 -3.377 4.300
68 HD2 TYR 8 HD2 TYR 8 -26.887 -0.673 1.086
69 HE1 TYR 8 HE1 TYR 8 -26.098 -1.501 5.866
70 HE2 TYR 8 HE2 TYR 8 -26.802 1.212 2.656
71 HH TYR 8 HH TYR 8 -25.914 1.750 4.836
72 H GLU 9 H GLU 9 -27.197 -6.707 3.585
73 HA GLU 9 HA GLU 9 -29.105 -7.373 4.709
74 1HB GLU 9 2HB GLU 9 -28.226 -4.906 6.208
75 2HB GLU 9 1HB GLU 9 -29.200 -6.209 6.871
76 1HG GLU 9 2HG GLU 9 -27.437 -7.654 7.007
77 2HG GLU 9 1HG GLU 9 -26.563 -6.881 5.684
78 H ASN 10 H ASN 10 -30.784 -5.782 6.344
79 HA ASN 10 HA ASN 10 -32.921 -5.298 4.634
80 1HB ASN 10 2HB ASN 10 -34.076 -4.432 6.548
81 2HB ASN 10 1HB ASN 10 -33.050 -5.758 7.089
82 1HD2 ASN 10 2HD2 ASN 10 -31.365 -3.845 9.400
83 2HD2 ASN 10 1HD2 ASN 10 -31.806 -5.395 8.779
84 H TYR 11 H TYR 11 -30.646 -3.770 3.674
85 HA TYR 11 HA TYR 11 -30.682 -1.076 4.242
86 1HB TYR 11 2HB TYR 11 -29.024 -1.650 2.741
87 2HB TYR 11 1HB TYR 11 -30.098 -2.642 1.764
88 HD1 TYR 11 HD1 TYR 11 -29.052 0.822 2.496
89 HD2 TYR 11 HD2 TYR 11 -31.317 -1.702 -0.071
90 HE1 TYR 11 HE1 TYR 11 -29.319 2.682 0.916
91 HE2 TYR 11 HE2 TYR 11 -31.586 0.154 -1.664
92 HH TYR 11 HH TYR 11 -29.919 3.218 -1.219
93 HA PRO 12 HA PRO 12 -34.772 0.583 3.459
94 1HB PRO 12 2HB PRO 12 -33.142 2.375 1.683
95 2HB PRO 12 1HB PRO 12 -34.484 2.790 2.758
96 1HG PRO 12 2HG PRO 12 -31.906 3.144 3.476
97 2HG PRO 12 1HG PRO 12 -33.173 2.729 4.643
98 1HD PRO 12 2HD PRO 12 -30.928 1.108 3.712
99 2HD PRO 12 1HD PRO 12 -32.017 0.820 5.080
100 H VAL 13 H VAL 13 -35.295 -1.379 2.299
101 HA VAL 13 HA VAL 13 -34.715 -1.957 -0.347
102 HB VAL 13 HB VAL 13 -37.306 -2.553 1.081
103 1HG1 VAL 13 3HG1 VAL 13 -35.948 -3.808 -1.292
104 2HG1 VAL 13 2HG1 VAL 13 -37.267 -4.573 -0.406
105 3HG1 VAL 13 1HG1 VAL 13 -37.533 -3.040 -1.234
106 1HG2 VAL 13 2HG2 VAL 13 -35.160 -3.179 2.286
107 2HG2 VAL 13 1HG2 VAL 13 -36.309 -4.484 1.987
108 3HG2 VAL 13 3HG2 VAL 13 -34.877 -4.319 0.970
109 H SER 14 H SER 14 -36.639 0.566 0.882
110 HA SER 14 HA SER 14 -38.570 0.822 -1.131
111 1HB SER 14 2HB SER 14 -38.662 3.232 -0.398
112 2HB SER 14 1HB SER 14 -38.846 2.055 0.902
113 HG SER 14 HG SER 14 -36.896 2.559 1.663
114 H LYS 15 H LYS 15 -36.377 3.501 -0.855
115 HA LYS 15 HA LYS 15 -36.302 3.906 -3.650
116 1HB LYS 15 2HB LYS 15 -34.600 5.127 -1.474
117 2HB LYS 15 1HB LYS 15 -34.679 5.699 -3.135
118 1HG LYS 15 2HG LYS 15 -37.302 5.723 -2.501
119 2HG LYS 15 1HG LYS 15 -36.594 6.044 -0.920
120 1HD LYS 15 2HD LYS 15 -36.931 8.167 -1.872
121 2HD LYS 15 1HD LYS 15 -35.209 7.845 -2.073
122 1HE LYS 15 2HE LYS 15 -37.074 7.080 -4.273
123 2HE LYS 15 1HE LYS 15 -36.669 8.781 -4.058
124 1HZ LYS 15 2HZ LYS 15 -34.319 7.233 -3.929
125 2HZ LYS 15 1HZ LYS 15 -35.168 6.827 -5.335
126 3HZ LYS 15 3HZ LYS 15 -34.736 8.437 -5.042
127 H CYS 16 H CYS 16 -34.534 3.918 -5.070
128 HA CYS 16 HA CYS 16 -31.986 2.906 -4.514
129 1HB CYS 16 2HB CYS 16 -33.927 0.862 -4.716
130 2HB CYS 16 1HB CYS 16 -32.989 0.791 -6.204
131 H GLN 17 H GLN 17 -34.252 2.374 -7.220
132 HA GLN 17 HA GLN 17 -34.160 2.981 -9.406
133 1HB GLN 17 2HB GLN 17 -32.580 5.387 -8.529
134 2HB GLN 17 1HB GLN 17 -33.701 5.250 -9.878
135 1HG GLN 17 2HG GLN 17 -34.571 4.964 -7.023
136 2HG GLN 17 1HG GLN 17 -34.503 6.522 -7.848
137 1HE2 GLN 17 2HE2 GLN 17 -37.312 5.936 -9.877
138 2HE2 GLN 17 1HE2 GLN 17 -35.844 6.830 -9.703
139 H LEU 18 H LEU 18 -31.977 1.396 -8.263
140 HA LEU 18 HA LEU 18 -29.794 0.751 -8.705
141 1HB LEU 18 2HB LEU 18 -31.064 1.124 -11.409
142 2HB LEU 18 1HB LEU 18 -29.532 0.311 -11.179
143 HG LEU 18 HG LEU 18 -32.048 -0.617 -9.807
144 1HD1 LEU 18 2HD1 LEU 18 -31.127 -1.099 -12.606
145 2HD1 LEU 18 1HD1 LEU 18 -32.003 -2.356 -11.732
146 3HD1 LEU 18 3HD1 LEU 18 -32.751 -0.780 -11.995
147 1HD2 LEU 18 3HD2 LEU 18 -29.293 -1.657 -10.161
148 2HD2 LEU 18 2HD2 LEU 18 -30.396 -1.805 -8.798
149 3HD2 LEU 18 1HD2 LEU 18 -30.609 -2.825 -10.220
150 H ALA 19 H ALA 19 -28.884 2.816 -7.872
151 HA ALA 19 HA ALA 19 -26.915 3.847 -9.580
152 1HB ALA 19 2HB ALA 19 -28.854 5.009 -10.626
153 2HB ALA 19 1HB ALA 19 -29.144 5.821 -9.091
154 3HB ALA 19 3HB ALA 19 -27.645 6.108 -9.973
155 H ASN 20 H ASN 20 -27.037 6.555 -8.394
156 HA ASN 20 HA ASN 20 -25.259 6.723 -6.547
157 1HB ASN 20 2HB ASN 20 -26.543 8.676 -7.073
158 2HB ASN 20 1HB ASN 20 -27.977 8.013 -6.296
159 1HD2 ASN 20 2HD2 ASN 20 -24.980 8.857 -3.672
160 2HD2 ASN 20 1HD2 ASN 20 -24.710 7.843 -5.045
161 H GLN 21 H GLN 21 -27.929 7.232 -4.555
162 HA GLN 21 HA GLN 21 -27.547 6.415 -2.237
163 1HB GLN 21 2HB GLN 21 -29.711 4.725 -3.429
164 2HB GLN 21 1HB GLN 21 -29.690 5.587 -1.898
165 1HG GLN 21 2HG GLN 21 -30.148 6.663 -4.652
166 2HG GLN 21 1HG GLN 21 -31.177 6.785 -3.226
167 1HE2 GLN 21 2HE2 GLN 21 -28.636 9.148 -1.797
168 2HE2 GLN 21 1HE2 GLN 21 -29.089 7.524 -1.420
169 H CYS 22 H CYS 22 -28.486 3.598 -4.182
170 HA CYS 22 HA CYS 22 -27.378 1.687 -2.488
171 1HB CYS 22 2HB CYS 22 -29.039 1.404 -4.440
172 2HB CYS 22 1HB CYS 22 -27.611 1.292 -5.462
173 H ASN 23 H ASN 23 -26.105 2.462 -5.727
174 HA ASN 23 HA ASN 23 -23.680 1.207 -5.514
175 1HB ASN 23 2HB ASN 23 -24.819 2.613 -7.469
176 2HB ASN 23 1HB ASN 23 -23.726 3.865 -6.882
177 1HD2 ASN 23 2HD2 ASN 23 -21.814 2.251 -9.465
178 2HD2 ASN 23 1HD2 ASN 23 -23.126 3.358 -9.268
179 H TYR 24 H TYR 24 -24.212 4.688 -4.912
180 HA TYR 24 HA TYR 24 -21.709 5.302 -3.924
181 1HB TYR 24 2HB TYR 24 -22.997 7.185 -4.242
182 2HB TYR 24 1HB TYR 24 -24.436 6.449 -3.544
183 HD1 TYR 24 HD2 TYR 24 -21.191 8.028 -2.728
184 HD2 TYR 24 HD1 TYR 24 -24.963 6.725 -1.256
185 HE1 TYR 24 HE2 TYR 24 -20.763 9.203 -0.610
186 HE2 TYR 24 HE1 TYR 24 -24.544 7.891 0.865
187 HH TYR 24 HH TYR 24 -21.999 10.133 1.262
188 H ASP 25 H ASP 25 -24.565 4.191 -2.107
189 HA ASP 25 HA ASP 25 -23.527 4.249 0.446
190 1HB ASP 25 2HB ASP 25 -25.532 2.442 -0.873
191 2HB ASP 25 1HB ASP 25 -25.036 2.146 0.788
192 H CYS 26 H CYS 26 -23.521 1.365 -1.690
193 HA CYS 26 HA CYS 26 -21.886 -0.193 -0.076
194 1HB CYS 26 2HB CYS 26 -21.923 -0.131 -3.106
195 2HB CYS 26 1HB CYS 26 -21.279 -1.436 -2.117
196 H LYS 27 H LYS 27 -20.948 1.890 -2.781
197 HA LYS 27 HA LYS 27 -18.184 1.608 -2.521
198 1HB LYS 27 2HB LYS 27 -19.983 3.017 -4.172
199 2HB LYS 27 1HB LYS 27 -18.864 4.218 -3.549
200 1HG LYS 27 2HG LYS 27 -16.984 2.949 -4.388
201 2HG LYS 27 1HG LYS 27 -18.065 1.665 -4.931
202 1HD LYS 27 2HD LYS 27 -19.037 4.085 -6.056
203 2HD LYS 27 1HD LYS 27 -17.292 4.080 -6.300
204 1HE LYS 27 2HE LYS 27 -19.034 1.728 -6.994
205 2HE LYS 27 1HE LYS 27 -18.706 3.039 -8.126
206 1HZ LYS 27 2HZ LYS 27 -16.271 2.547 -7.643
207 2HZ LYS 27 1HZ LYS 27 -16.809 1.089 -6.976
208 3HZ LYS 27 3HZ LYS 27 -17.110 1.435 -8.603
209 H LEU 28 H LEU 28 -19.856 2.564 0.007
210 HA LEU 28 HA LEU 28 -17.679 4.111 1.055
211 1HB LEU 28 2HB LEU 28 -18.806 5.852 -0.203
212 2HB LEU 28 1HB LEU 28 -20.322 5.484 0.595
213 HG LEU 28 HG LEU 28 -19.186 7.531 1.449
214 1HD1 LEU 28 1HD1 LEU 28 -20.645 5.753 2.825
215 2HD1 LEU 28 3HD1 LEU 28 -19.156 5.700 3.770
216 3HD1 LEU 28 2HD1 LEU 28 -19.998 7.229 3.534
217 1HD2 LEU 28 2HD2 LEU 28 -16.879 6.380 1.208
218 2HD2 LEU 28 1HD2 LEU 28 -17.154 7.491 2.549
219 3HD2 LEU 28 3HD2 LEU 28 -17.215 5.749 2.819
220 H ASP 29 H ASP 29 -21.152 3.492 1.596
221 HA ASP 29 HA ASP 29 -20.967 3.621 4.410
222 1HB ASP 29 2HB ASP 29 -23.009 3.142 2.439
223 2HB ASP 29 1HB ASP 29 -23.165 1.947 3.719
224 H LYS 30 H LYS 30 -19.987 1.217 2.214
225 HA LYS 30 HA LYS 30 -19.560 -0.651 4.446
226 1HB LYS 30 2HB LYS 30 -21.292 -1.063 2.204
227 2HB LYS 30 1HB LYS 30 -19.948 -2.186 2.068
228 1HG LYS 30 2HG LYS 30 -21.555 -3.355 3.274
229 2HG LYS 30 1HG LYS 30 -20.433 -2.779 4.507
230 1HD LYS 30 2HD LYS 30 -21.938 -0.936 5.029
231 2HD LYS 30 1HD LYS 30 -23.045 -1.465 3.760
232 1HE LYS 30 2HE LYS 30 -24.018 -2.407 5.619
233 2HE LYS 30 1HE LYS 30 -22.989 -3.727 5.066
234 1HZ LYS 30 3HZ LYS 30 -21.276 -2.786 6.658
235 2HZ LYS 30 2HZ LYS 30 -22.534 -1.878 7.329
236 3HZ LYS 30 1HZ LYS 30 -22.608 -3.568 7.351
237 H HIS 31 H HIS 31 -18.013 1.317 2.579
238 HA HIS 31 HA HIS 31 -15.999 1.416 1.502
239 1HB HIS 31 2HB HIS 31 -15.068 -0.831 3.257
240 2HB HIS 31 1HB HIS 31 -14.215 0.632 2.777
241 HD1 HIS 31 HD1 HIS 31 -15.658 -0.801 5.642
242 HD2 HIS 31 HD2 HIS 31 -15.715 3.016 4.001
243 HE1 HIS 31 HE1 HIS 31 -16.305 0.732 7.528
244 HE2 HIS 31 HE2 HIS 31 -16.424 3.024 6.487
245 H ALA 32 H ALA 32 -17.875 -0.294 0.223
246 HA ALA 32 HA ALA 32 -16.418 -2.652 -0.631
247 1HB ALA 32 1HB ALA 32 -18.989 -2.393 -0.293
248 2HB ALA 32 3HB ALA 32 -18.947 -1.721 -1.923
249 3HB ALA 32 2HB ALA 32 -18.374 -3.363 -1.631
250 H ARG 33 H ARG 33 -16.904 -2.910 -3.259
251 HA ARG 33 HA ARG 33 -15.227 -0.811 -4.417
252 1HB ARG 33 2HB ARG 33 -14.861 -3.413 -4.609
253 2HB ARG 33 1HB ARG 33 -16.034 -3.274 -5.912
254 1HG ARG 33 2HG ARG 33 -14.241 -1.226 -6.437
255 2HG ARG 33 1HG ARG 33 -13.214 -2.535 -5.858
256 1HD ARG 33 2HD ARG 33 -14.397 -4.033 -7.506
257 2HD ARG 33 1HD ARG 33 -15.142 -2.579 -8.171
258 HE ARG 33 HE ARG 33 -12.412 -3.445 -8.502
259 1HH1 ARG 33 1HH2 ARG 33 -14.616 -0.752 -8.608
260 2HH1 ARG 33 2HH2 ARG 33 -13.645 0.167 -9.709
261 1HH2 ARG 33 2HH1 ARG 33 -11.127 -2.244 -9.958
262 2HH2 ARG 33 1HH1 ARG 33 -11.664 -0.682 -10.481
263 H SER 34 H SER 34 -18.282 -2.515 -5.031
264 HA SER 34 HA SER 34 -19.610 -0.234 -5.980
265 1HB SER 34 2HB SER 34 -19.810 -0.870 -8.404
266 2HB SER 34 1HB SER 34 -18.201 -0.322 -7.935
267 HG SER 34 HG SER 34 -18.662 -2.470 -9.196
268 H GLY 35 H GLY 35 -21.807 -0.688 -6.643
269 1HA GLY 35 2HA GLY 35 -22.691 -3.439 -6.667
270 2HA GLY 35 1HA GLY 35 -23.130 -2.565 -5.210
271 H GLU 36 H GLU 36 -25.306 -3.141 -5.956
272 HA GLU 36 HA GLU 36 -26.642 -0.924 -7.026
273 1HB GLU 36 2HB GLU 36 -25.563 -2.663 -9.010
274 2HB GLU 36 1HB GLU 36 -27.309 -2.869 -9.034
275 1HG GLU 36 2HG GLU 36 -27.522 -0.391 -9.219
276 2HG GLU 36 1HG GLU 36 -25.769 -0.311 -9.392
277 H CYS 37 H CYS 37 -29.016 -1.611 -7.653
278 HA CYS 37 HA CYS 37 -29.923 -3.276 -5.463
279 1HB CYS 37 2HB CYS 37 -30.920 -0.973 -6.733
280 2HB CYS 37 1HB CYS 37 -32.090 -2.247 -7.060
281 H PHE 38 H PHE 38 -31.338 -5.010 -5.639
282 HA PHE 38 HA PHE 38 -31.896 -6.135 -8.258
283 1HB PHE 38 2HB PHE 38 -30.018 -7.377 -6.276
284 2HB PHE 38 1HB PHE 38 -31.019 -8.412 -7.287
285 HD1 PHE 38 HD1 PHE 38 -28.513 -5.686 -7.428
286 HD2 PHE 38 HD2 PHE 38 -30.393 -8.909 -9.473
287 HE1 PHE 38 HE1 PHE 38 -26.887 -5.466 -9.259
288 HE2 PHE 38 HE2 PHE 38 -28.769 -8.698 -11.308
289 HZ PHE 38 HZ PHE 38 -27.012 -6.973 -11.203
290 H TYR 39 H TYR 39 -33.633 -7.557 -8.255
291 HA TYR 39 HA TYR 39 -35.432 -7.240 -6.068
292 1HB TYR 39 2HB TYR 39 -35.537 -8.525 -8.749
293 2HB TYR 39 1HB TYR 39 -36.740 -9.009 -7.553
294 HD1 TYR 39 HD1 TYR 39 -38.263 -7.320 -6.592
295 HD2 TYR 39 HD2 TYR 39 -35.639 -6.384 -9.800
296 HE1 TYR 39 HE1 TYR 39 -39.581 -5.297 -7.065
297 HE2 TYR 39 HE2 TYR 39 -36.948 -4.360 -10.291
298 HH TYR 39 HH TYR 39 -38.840 -3.237 -9.847
299 H ASP 40 H ASP 40 -35.506 -10.391 -7.438
300 HA ASP 40 HA ASP 40 -35.487 -12.446 -6.416
301 1HB ASP 40 2HB ASP 40 -33.308 -12.843 -5.085
302 2HB ASP 40 1HB ASP 40 -33.179 -12.466 -6.799
303 H GLU 41 H GLU 41 -34.589 -13.370 -4.056
304 HA GLU 41 HA GLU 41 -35.755 -13.881 -2.151
305 1HB GLU 41 2HB GLU 41 -33.639 -12.427 -1.727
306 2HB GLU 41 1HB GLU 41 -34.794 -11.191 -1.253
307 1HG GLU 41 2HG GLU 41 -34.780 -12.081 0.795
308 2HG GLU 41 1HG GLU 41 -35.613 -13.477 0.120
309 H LYS 42 H LYS 42 -37.855 -13.410 -3.418
310 HA LYS 42 HA LYS 42 -40.039 -12.817 -3.221
311 1HB LYS 42 2HB LYS 42 -39.345 -12.975 -0.715
312 2HB LYS 42 1HB LYS 42 -39.456 -11.220 -0.763
313 1HG LYS 42 2HG LYS 42 -41.796 -11.637 -1.782
314 2HG LYS 42 1HG LYS 42 -41.610 -13.259 -1.109
315 1HD LYS 42 2HD LYS 42 -42.660 -12.148 0.618
316 2HD LYS 42 1HD LYS 42 -40.960 -11.988 1.062
317 1HE LYS 42 2HE LYS 42 -41.189 -9.775 -0.392
318 2HE LYS 42 1HE LYS 42 -42.876 -9.936 0.095
319 1HZ LYS 42 1HZ LYS 42 -40.569 -9.893 1.964
320 2HZ LYS 42 3HZ LYS 42 -41.571 -8.570 1.634
321 3HZ LYS 42 2HZ LYS 42 -42.204 -9.942 2.392
322 H ARG 43 H ARG 43 -39.165 -11.442 -5.105
323 HA ARG 43 HA ARG 43 -38.877 -9.425 -6.155
324 1HB ARG 43 2HB ARG 43 -41.496 -8.708 -4.903
325 2HB ARG 43 1HB ARG 43 -40.963 -8.500 -6.564
326 1HG ARG 43 2HG ARG 43 -41.810 -11.049 -5.220
327 2HG ARG 43 1HG ARG 43 -42.623 -10.195 -6.534
328 1HD ARG 43 2HD ARG 43 -40.574 -10.594 -7.927
329 2HD ARG 43 1HD ARG 43 -39.976 -11.631 -6.635
330 HE ARG 43 HE ARG 43 -41.709 -13.163 -7.098
331 1HH1 ARG 43 1HH2 ARG 43 -41.624 -10.478 -9.316
332 2HH1 ARG 43 2HH2 ARG 43 -42.585 -11.272 -10.515
333 1HH2 ARG 43 2HH1 ARG 43 -42.974 -14.220 -8.676
334 2HH2 ARG 43 1HH1 ARG 43 -43.352 -13.398 -10.153
335 H ASN 44 H ASN 44 -37.637 -9.347 -3.538
336 HA ASN 44 HA ASN 44 -38.273 -6.644 -2.591
337 1HB ASN 44 2HB ASN 44 -36.878 -8.992 -1.424
338 2HB ASN 44 1HB ASN 44 -36.289 -7.409 -0.936
339 1HD2 ASN 44 2HD2 ASN 44 -38.731 -8.105 1.581
340 2HD2 ASN 44 1HD2 ASN 44 -37.105 -8.480 1.133
341 H LEU 45 H LEU 45 -37.040 -4.924 -3.060
342 HA LEU 45 HA LEU 45 -34.809 -5.296 -4.860
343 1HB LEU 45 2HB LEU 45 -36.262 -2.886 -3.807
344 2HB LEU 45 1HB LEU 45 -34.789 -2.731 -4.744
345 HG LEU 45 HG LEU 45 -36.505 -4.462 -6.205
346 1HD1 LEU 45 3HD1 LEU 45 -38.332 -3.509 -4.817
347 2HD1 LEU 45 2HD1 LEU 45 -37.924 -1.915 -5.451
348 3HD1 LEU 45 1HD1 LEU 45 -38.494 -3.178 -6.542
349 1HD2 LEU 45 2HD2 LEU 45 -34.781 -2.884 -7.068
350 2HD2 LEU 45 1HD2 LEU 45 -36.322 -2.808 -7.921
351 3HD2 LEU 45 3HD2 LEU 45 -35.901 -1.561 -6.747
352 H GLN 46 H GLN 46 -33.288 -6.286 -3.519
353 HA GLN 46 HA GLN 46 -32.304 -4.830 -1.195
354 1HB GLN 46 2HB GLN 46 -31.347 -7.435 -2.397
355 2HB GLN 46 1HB GLN 46 -30.841 -6.764 -0.853
356 1HG GLN 46 2HG GLN 46 -32.913 -7.172 0.139
357 2HG GLN 46 1HG GLN 46 -33.714 -7.387 -1.418
358 1HE2 GLN 46 2HE2 GLN 46 -32.597 -10.721 -1.867
359 2HE2 GLN 46 1HE2 GLN 46 -32.996 -9.264 -2.706
360 H CYS 47 H CYS 47 -30.013 -4.344 -0.957
361 HA CYS 47 HA CYS 47 -28.881 -3.375 -3.480
362 1HB CYS 47 2HB CYS 47 -28.847 -2.452 -0.687
363 2HB CYS 47 1HB CYS 47 -27.322 -2.257 -1.545
364 H ILE 48 H ILE 48 -27.527 -4.749 -4.420
365 HA ILE 48 HA ILE 48 -25.900 -6.564 -2.850
366 HB ILE 48 HB ILE 48 -26.199 -6.196 -5.830
367 1HG1 ILE 48 2HG1 ILE 48 -27.065 -8.350 -3.886
368 2HG1 ILE 48 1HG1 ILE 48 -28.107 -7.267 -4.800
369 1HG2 ILE 48 1HG2 ILE 48 -24.385 -8.027 -4.275
370 2HG2 ILE 48 3HG2 ILE 48 -24.823 -8.317 -5.957
371 3HG2 ILE 48 2HG2 ILE 48 -23.942 -6.857 -5.518
372 1HD1 ILE 48 1HD1 ILE 48 -26.573 -8.595 -6.713
373 2HD1 ILE 48 3HD1 ILE 48 -27.029 -9.823 -5.531
374 3HD1 ILE 48 2HD1 ILE 48 -28.274 -8.857 -6.325
375 H CYS 49 H CYS 49 -24.104 -5.801 -1.957
376 HA CYS 49 HA CYS 49 -22.549 -3.723 -3.325
377 1HB CYS 49 2HB CYS 49 -22.327 -4.842 -0.522
378 2HB CYS 49 1HB CYS 49 -21.338 -3.538 -1.168
379 H ASP 50 H ASP 50 -20.807 -4.278 -4.488
380 HA ASP 50 HA ASP 50 -19.642 -6.942 -4.091
381 1HB ASP 50 2HB ASP 50 -19.533 -7.067 -6.330
382 2HB ASP 50 1HB ASP 50 -20.294 -5.489 -6.439
383 H TYR 51 H TYR 51 -17.675 -7.303 -3.470
384 HA TYR 51 HA TYR 51 -15.921 -5.013 -2.848
385 1HB TYR 51 2HB TYR 51 -16.207 -7.635 -1.385
386 2HB TYR 51 1HB TYR 51 -15.166 -6.297 -0.904
387 HD1 TYR 51 HD2 TYR 51 -18.744 -7.099 -1.576
388 HD2 TYR 51 HD1 TYR 51 -15.969 -4.798 0.681
389 HE1 TYR 51 HE2 TYR 51 -20.585 -6.233 -0.208
390 HE2 TYR 51 HE1 TYR 51 -17.808 -3.927 2.059
391 HH TYR 51 HH TYR 51 -21.037 -5.201 1.829
392 H CYS 52 H CYS 52 -15.238 -5.687 -5.209
393 HA CYS 52 HA CYS 52 -13.404 -7.979 -5.147
394 1HB CYS 52 2HB CYS 52 -14.390 -6.323 -7.472
395 2HB CYS 52 1HB CYS 52 -13.311 -7.709 -7.599
396 H GLU 53 H GLU 53 -12.851 -5.396 -3.830
397 HA GLU 53 HA GLU 53 -10.773 -4.155 -5.406
398 1HB GLU 53 2HB GLU 53 -10.568 -2.592 -3.679
399 2HB GLU 53 1HB GLU 53 -12.276 -3.002 -3.664
400 1HG GLU 53 2HG GLU 53 -11.608 -4.728 -1.866
401 2HG GLU 53 1HG GLU 53 -10.135 -3.770 -1.727
402 H TYR 54 HN TYR 54 -8.898 -5.127 -5.691
403 HA TYR 54 HA TYR 54 -7.854 -7.325 -4.589
404 1HB TYR 54 2HB TYR 54 -6.545 -6.481 -6.288
405 2HB TYR 54 1HB TYR 54 -6.580 -4.842 -5.646
406 HD1 TYR 54 HD2 TYR 54 -5.302 -4.465 -3.429
407 HD2 TYR 54 HD1 TYR 54 -4.641 -7.771 -6.013
408 HE1 TYR 54 HE2 TYR 54 -3.076 -4.796 -2.424
409 HE2 TYR 54 HE1 TYR 54 -2.416 -8.117 -5.022
410 HH TYR 54 HH TYR 54 -0.728 -6.098 -3.539
No H/Q in entry = 410
Start of MODEL 39
1 HN PCA 1 HN PCA 1 -11.406 -17.414 -5.482
2 HA PCA 1 HA PCA 1 -10.609 -15.171 -4.588
3 1HB PCA 1 1HB PCA 1 -10.989 -13.409 -5.956
4 2HB PCA 1 2HB PCA 1 -12.742 -13.575 -5.700
5 1HG PCA 1 1HG PCA 1 -11.187 -14.352 -8.013
6 2HG PCA 1 2HG PCA 1 -12.934 -14.524 -7.767
7 H ASP 2 H ASP 2 -11.488 -14.345 -2.699
8 HA ASP 2 HA ASP 2 -13.427 -15.840 -1.390
9 1HB ASP 2 2HB ASP 2 -11.629 -14.128 -0.506
10 2HB ASP 2 1HB ASP 2 -12.972 -12.992 -0.592
11 H LYS 3 H LYS 3 -14.953 -13.641 -0.189
12 HA LYS 3 HA LYS 3 -17.265 -13.787 -1.797
13 1HB LYS 3 2HB LYS 3 -16.505 -12.177 0.620
14 2HB LYS 3 1HB LYS 3 -18.033 -11.889 -0.198
15 1HG LYS 3 2HG LYS 3 -18.603 -14.277 0.135
16 2HG LYS 3 1HG LYS 3 -17.120 -14.457 1.076
17 1HD LYS 3 2HD LYS 3 -17.895 -12.861 2.700
18 2HD LYS 3 1HD LYS 3 -19.311 -12.485 1.715
19 1HE LYS 3 2HE LYS 3 -20.077 -14.814 1.983
20 2HE LYS 3 1HE LYS 3 -18.695 -15.127 3.031
21 1HZ LYS 3 2HZ LYS 3 -19.725 -13.020 4.250
22 2HZ LYS 3 1HZ LYS 3 -21.143 -13.648 3.576
23 3HZ LYS 3 3HZ LYS 3 -20.201 -14.602 4.608
24 H CYS 4 H CYS 4 -18.309 -12.243 -3.043
25 HA CYS 4 HA CYS 4 -16.720 -9.872 -3.793
26 1HB CYS 4 2HB CYS 4 -17.559 -12.067 -5.452
27 2HB CYS 4 1HB CYS 4 -18.351 -10.597 -6.004
28 H LYS 5 H LYS 5 -19.997 -11.288 -3.927
29 HA LYS 5 HA LYS 5 -21.127 -8.587 -3.781
30 1HB LYS 5 2HB LYS 5 -23.243 -10.422 -3.977
31 2HB LYS 5 1HB LYS 5 -22.566 -9.449 -5.278
32 1HG LYS 5 2HG LYS 5 -22.672 -11.773 -5.924
33 2HG LYS 5 1HG LYS 5 -20.994 -11.236 -5.808
34 1HD LYS 5 2HD LYS 5 -20.607 -12.990 -4.465
35 2HD LYS 5 1HD LYS 5 -21.616 -12.206 -3.253
36 1HE LYS 5 2HE LYS 5 -22.499 -14.371 -3.509
37 2HE LYS 5 1HE LYS 5 -23.596 -13.310 -4.391
38 1HZ LYS 5 1HZ LYS 5 -22.000 -13.951 -6.361
39 2HZ LYS 5 3HZ LYS 5 -21.736 -15.326 -5.409
40 3HZ LYS 5 2HZ LYS 5 -23.300 -14.940 -5.924
41 H LYS 6 H LYS 6 -22.535 -7.940 -2.180
42 HA LYS 6 HA LYS 6 -23.223 -9.711 -0.005
43 1HB LYS 6 2HB LYS 6 -20.913 -8.005 0.155
44 2HB LYS 6 1HB LYS 6 -22.100 -7.477 1.339
45 1HG LYS 6 2HG LYS 6 -22.206 -9.807 2.185
46 2HG LYS 6 1HG LYS 6 -20.905 -10.226 1.070
47 1HD LYS 6 2HD LYS 6 -19.894 -9.806 3.180
48 2HD LYS 6 1HD LYS 6 -19.532 -8.419 2.151
49 1HE LYS 6 2HE LYS 6 -20.959 -7.021 3.305
50 2HE LYS 6 1HE LYS 6 -21.945 -8.352 3.908
51 1HZ LYS 6 3HZ LYS 6 -19.316 -8.611 4.890
52 2HZ LYS 6 2HZ LYS 6 -19.869 -7.048 5.218
53 3HZ LYS 6 1HZ LYS 6 -20.751 -8.385 5.756
54 H VAL 7 H VAL 7 -25.331 -9.307 0.152
55 HA VAL 7 HA VAL 7 -26.596 -6.942 -0.657
56 HB VAL 7 HB VAL 7 -28.586 -7.884 -0.034
57 1HG1 VAL 7 1HG1 VAL 7 -27.036 -9.457 -1.375
58 2HG1 VAL 7 3HG1 VAL 7 -27.021 -10.426 0.099
59 3HG1 VAL 7 2HG1 VAL 7 -28.547 -10.090 -0.721
60 1HG2 VAL 7 1HG2 VAL 7 -27.128 -9.093 2.305
61 2HG2 VAL 7 3HG2 VAL 7 -28.435 -7.907 2.320
62 3HG2 VAL 7 2HG2 VAL 7 -28.764 -9.577 1.856
63 H TYR 8 H TYR 8 -27.213 -5.115 0.350
64 HA TYR 8 HA TYR 8 -25.863 -4.313 2.698
65 1HB TYR 8 2HB TYR 8 -26.783 -2.843 0.812
66 2HB TYR 8 1HB TYR 8 -28.343 -3.003 1.590
67 HD1 TYR 8 HD1 TYR 8 -27.112 -2.854 4.520
68 HD2 TYR 8 HD2 TYR 8 -26.695 -0.476 1.010
69 HE1 TYR 8 HE1 TYR 8 -26.552 -0.927 5.903
70 HE2 TYR 8 HE2 TYR 8 -26.138 1.468 2.401
71 HH TYR 8 HH TYR 8 -25.099 1.387 5.348
72 H GLU 9 H GLU 9 -26.610 -6.361 3.810
73 HA GLU 9 HA GLU 9 -28.261 -7.532 5.038
74 1HB GLU 9 2HB GLU 9 -27.495 -5.095 6.636
75 2HB GLU 9 1HB GLU 9 -28.102 -6.607 7.300
76 1HG GLU 9 2HG GLU 9 -25.741 -6.560 7.578
77 2HG GLU 9 1HG GLU 9 -26.123 -7.754 6.337
78 H ASN 10 H ASN 10 -29.278 -5.043 6.932
79 HA ASN 10 HA ASN 10 -31.976 -5.420 6.626
80 1HB ASN 10 2HB ASN 10 -30.607 -2.851 7.442
81 2HB ASN 10 1HB ASN 10 -32.278 -3.284 7.787
82 1HD2 ASN 10 2HD2 ASN 10 -30.114 -6.085 9.592
83 2HD2 ASN 10 1HD2 ASN 10 -30.399 -6.011 7.890
84 H TYR 11 H TYR 11 -30.431 -2.401 5.574
85 HA TYR 11 HA TYR 11 -31.612 -0.837 4.213
86 1HB TYR 11 2HB TYR 11 -29.392 -1.986 3.327
87 2HB TYR 11 1HB TYR 11 -30.479 -2.517 2.045
88 HD1 TYR 11 HD2 TYR 11 -28.885 0.370 3.641
89 HD2 TYR 11 HD1 TYR 11 -31.445 -0.914 0.496
90 HE1 TYR 11 HE2 TYR 11 -28.669 2.575 2.574
91 HE2 TYR 11 HE1 TYR 11 -31.238 1.288 -0.581
92 HH TYR 11 HH TYR 11 -29.144 3.267 -0.339
93 HA PRO 12 HA PRO 12 -35.452 -3.308 3.326
94 1HB PRO 12 2HB PRO 12 -36.321 -0.459 3.396
95 2HB PRO 12 1HB PRO 12 -37.132 -1.891 4.041
96 1HG PRO 12 2HG PRO 12 -35.828 -0.244 5.667
97 2HG PRO 12 1HG PRO 12 -35.744 -1.998 5.904
98 1HD PRO 12 2HD PRO 12 -33.702 -0.133 4.806
99 2HD PRO 12 1HD PRO 12 -33.482 -1.621 5.749
100 H VAL 13 H VAL 13 -34.732 -0.161 1.975
101 HA VAL 13 HA VAL 13 -34.226 -0.885 -0.624
102 HB VAL 13 HB VAL 13 -37.047 -1.116 -0.024
103 1HG1 VAL 13 3HG1 VAL 13 -36.372 0.876 -2.189
104 2HG1 VAL 13 2HG1 VAL 13 -37.945 0.108 -1.978
105 3HG1 VAL 13 1HG1 VAL 13 -37.315 1.179 -0.728
106 1HG2 VAL 13 2HG2 VAL 13 -35.499 -2.612 -1.394
107 2HG2 VAL 13 1HG2 VAL 13 -37.128 -2.343 -2.014
108 3HG2 VAL 13 3HG2 VAL 13 -35.765 -1.470 -2.712
109 H SER 14 H SER 14 -36.165 1.484 1.167
110 HA SER 14 HA SER 14 -36.384 3.774 0.704
111 1HB SER 14 2HB SER 14 -34.211 4.834 1.607
112 2HB SER 14 1HB SER 14 -35.115 3.760 2.674
113 HG SER 14 HG SER 14 -33.657 2.078 1.991
114 H LYS 15 H LYS 15 -36.228 2.971 -1.764
115 HA LYS 15 HA LYS 15 -35.877 4.062 -3.774
116 1HB LYS 15 2HB LYS 15 -34.784 5.931 -2.301
117 2HB LYS 15 1HB LYS 15 -33.274 5.211 -2.845
118 1HG LYS 15 2HG LYS 15 -33.740 6.990 -4.317
119 2HG LYS 15 1HG LYS 15 -34.104 5.505 -5.197
120 1HD LYS 15 2HD LYS 15 -36.410 5.839 -5.045
121 2HD LYS 15 1HD LYS 15 -36.250 6.978 -3.707
122 1HE LYS 15 2HE LYS 15 -35.338 8.649 -5.175
123 2HE LYS 15 1HE LYS 15 -35.285 7.503 -6.514
124 1HZ LYS 15 3HZ LYS 15 -37.869 7.997 -5.228
125 2HZ LYS 15 2HZ LYS 15 -37.251 9.200 -6.244
126 3HZ LYS 15 1HZ LYS 15 -37.517 7.643 -6.846
127 H CYS 16 H CYS 16 -34.902 3.278 -5.583
128 HA CYS 16 HA CYS 16 -32.345 2.109 -5.689
129 1HB CYS 16 2HB CYS 16 -34.541 0.360 -4.818
130 2HB CYS 16 1HB CYS 16 -33.622 -0.279 -6.176
131 H GLN 17 H GLN 17 -34.454 3.739 -7.140
132 HA GLN 17 HA GLN 17 -34.575 2.252 -9.667
133 1HB GLN 17 2HB GLN 17 -36.390 3.976 -8.308
134 2HB GLN 17 1HB GLN 17 -35.953 4.772 -9.810
135 1HG GLN 17 2HG GLN 17 -36.791 1.903 -9.787
136 2HG GLN 17 1HG GLN 17 -37.982 3.201 -9.764
137 1HE2 GLN 17 2HE2 GLN 17 -35.544 3.480 -12.998
138 2HE2 GLN 17 1HE2 GLN 17 -34.920 3.497 -11.387
139 H LEU 18 H LEU 18 -32.082 3.082 -8.993
140 HA LEU 18 HA LEU 18 -31.418 4.782 -11.223
141 1HB LEU 18 2HB LEU 18 -30.655 5.669 -8.432
142 2HB LEU 18 1HB LEU 18 -30.096 6.400 -9.920
143 HG LEU 18 HG LEU 18 -32.991 6.383 -9.068
144 1HD1 LEU 18 2HD1 LEU 18 -30.755 8.209 -8.382
145 2HD1 LEU 18 1HD1 LEU 18 -32.358 8.890 -8.668
146 3HD1 LEU 18 3HD1 LEU 18 -32.128 7.676 -7.411
147 1HD2 LEU 18 1HD2 LEU 18 -31.777 6.988 -11.534
148 2HD2 LEU 18 3HD2 LEU 18 -33.430 7.339 -11.035
149 3HD2 LEU 18 2HD2 LEU 18 -32.163 8.540 -10.797
150 H ALA 19 H ALA 19 -28.903 5.292 -9.338
151 HA ALA 19 HA ALA 19 -27.618 2.832 -8.933
152 1HB ALA 19 1HB ALA 19 -27.843 2.932 -11.516
153 2HB ALA 19 3HB ALA 19 -26.558 4.135 -11.414
154 3HB ALA 19 2HB ALA 19 -26.287 2.500 -10.811
155 H ASN 20 H ASN 20 -27.813 5.101 -7.477
156 HA ASN 20 HA ASN 20 -25.018 5.931 -7.314
157 1HB ASN 20 2HB ASN 20 -25.432 8.045 -7.977
158 2HB ASN 20 1HB ASN 20 -27.119 7.631 -8.250
159 1HD2 ASN 20 2HD2 ASN 20 -28.173 8.866 -5.048
160 2HD2 ASN 20 1HD2 ASN 20 -28.419 7.539 -6.128
161 H GLN 21 H GLN 21 -28.236 6.063 -5.823
162 HA GLN 21 HA GLN 21 -27.580 6.716 -3.250
163 1HB GLN 21 2HB GLN 21 -29.874 6.128 -4.358
164 2HB GLN 21 1HB GLN 21 -29.557 4.515 -3.740
165 1HG GLN 21 2HG GLN 21 -30.800 5.447 -2.049
166 2HG GLN 21 1HG GLN 21 -29.152 5.727 -1.488
167 1HE2 GLN 21 2HE2 GLN 21 -29.324 9.199 -1.657
168 2HE2 GLN 21 1HE2 GLN 21 -28.330 7.800 -1.461
169 H CYS 22 H CYS 22 -28.323 3.311 -3.925
170 HA CYS 22 HA CYS 22 -26.778 2.370 -1.783
171 1HB CYS 22 2HB CYS 22 -28.076 1.061 -4.140
172 2HB CYS 22 1HB CYS 22 -27.030 0.124 -3.075
173 H ASN 23 H ASN 23 -25.997 2.893 -5.162
174 HA ASN 23 HA ASN 23 -23.657 1.417 -5.382
175 1HB ASN 23 2HB ASN 23 -24.948 2.981 -7.102
176 2HB ASN 23 1HB ASN 23 -23.739 4.156 -6.582
177 1HD2 ASN 23 2HD2 ASN 23 -21.443 2.940 -8.834
178 2HD2 ASN 23 1HD2 ASN 23 -22.180 4.271 -8.017
179 H TYR 24 H TYR 24 -23.799 4.915 -4.709
180 HA TYR 24 HA TYR 24 -21.167 5.195 -3.845
181 1HB TYR 24 2HB TYR 24 -21.777 7.350 -3.784
182 2HB TYR 24 1HB TYR 24 -23.431 6.857 -4.090
183 HD1 TYR 24 HD1 TYR 24 -21.072 6.913 -1.231
184 HD2 TYR 24 HD2 TYR 24 -24.999 7.722 -2.632
185 HE1 TYR 24 HE1 TYR 24 -21.678 7.744 0.986
186 HE2 TYR 24 HE2 TYR 24 -25.627 8.563 -0.409
187 HH TYR 24 HH TYR 24 -23.482 9.425 1.904
188 H ASP 25 H ASP 25 -24.061 4.270 -2.053
189 HA ASP 25 HA ASP 25 -23.071 4.426 0.527
190 1HB ASP 25 2HB ASP 25 -24.888 2.262 -0.552
191 2HB ASP 25 1HB ASP 25 -24.706 2.718 1.137
192 H CYS 26 H CYS 26 -23.117 1.427 -1.446
193 HA CYS 26 HA CYS 26 -21.440 -0.028 0.242
194 1HB CYS 26 2HB CYS 26 -21.491 -0.264 -2.776
195 2HB CYS 26 1HB CYS 26 -21.018 -1.505 -1.628
196 H LYS 27 H LYS 27 -20.722 2.200 -2.380
197 HA LYS 27 HA LYS 27 -17.975 1.784 -2.594
198 1HB LYS 27 2HB LYS 27 -19.600 3.181 -4.059
199 2HB LYS 27 1HB LYS 27 -19.191 4.497 -2.965
200 1HG LYS 27 2HG LYS 27 -16.984 4.564 -3.657
201 2HG LYS 27 1HG LYS 27 -17.029 2.925 -4.307
202 1HD LYS 27 2HD LYS 27 -18.013 3.579 -6.266
203 2HD LYS 27 1HD LYS 27 -18.844 4.946 -5.519
204 1HE LYS 27 2HE LYS 27 -16.790 6.205 -5.428
205 2HE LYS 27 1HE LYS 27 -15.873 4.820 -6.018
206 1HZ LYS 27 2HZ LYS 27 -17.875 5.265 -7.870
207 2HZ LYS 27 1HZ LYS 27 -17.259 6.795 -7.496
208 3HZ LYS 27 3HZ LYS 27 -16.223 5.579 -8.054
209 H LEU 28 H LEU 28 -19.427 2.643 0.209
210 HA LEU 28 HA LEU 28 -16.965 3.582 1.322
211 1HB LEU 28 2HB LEU 28 -17.720 5.661 0.306
212 2HB LEU 28 1HB LEU 28 -19.256 5.533 1.144
213 HG LEU 28 HG LEU 28 -17.945 5.643 3.314
214 1HD1 LEU 28 1HD1 LEU 28 -15.767 6.310 1.358
215 2HD1 LEU 28 3HD1 LEU 28 -15.718 6.814 3.047
216 3HD1 LEU 28 2HD1 LEU 28 -15.756 5.099 2.640
217 1HD2 LEU 28 2HD2 LEU 28 -18.169 7.902 1.364
218 2HD2 LEU 28 1HD2 LEU 28 -19.130 7.569 2.805
219 3HD2 LEU 28 3HD2 LEU 28 -17.477 8.161 2.966
220 H ASP 29 H ASP 29 -20.412 3.029 1.731
221 HA ASP 29 HA ASP 29 -20.450 3.192 4.552
222 1HB ASP 29 2HB ASP 29 -22.249 1.715 2.622
223 2HB ASP 29 1HB ASP 29 -22.565 1.844 4.349
224 H LYS 30 H LYS 30 -19.160 0.892 2.420
225 HA LYS 30 HA LYS 30 -18.519 -0.858 4.665
226 1HB LYS 30 2HB LYS 30 -19.618 -1.964 2.083
227 2HB LYS 30 1HB LYS 30 -19.199 -2.865 3.536
228 1HG LYS 30 2HG LYS 30 -21.000 -1.725 4.748
229 2HG LYS 30 1HG LYS 30 -21.429 -0.855 3.277
230 1HD LYS 30 2HD LYS 30 -22.848 -2.552 2.864
231 2HD LYS 30 1HD LYS 30 -21.418 -3.497 2.452
232 1HE LYS 30 2HE LYS 30 -22.617 -3.317 5.215
233 2HE LYS 30 1HE LYS 30 -22.940 -4.617 4.068
234 1HZ LYS 30 2HZ LYS 30 -20.319 -4.718 4.067
235 2HZ LYS 30 1HZ LYS 30 -20.521 -4.061 5.612
236 3HZ LYS 30 3HZ LYS 30 -21.238 -5.544 5.223
237 H HIS 31 H HIS 31 -17.505 0.908 2.123
238 HA HIS 31 HA HIS 31 -15.546 1.092 0.986
239 1HB HIS 31 2HB HIS 31 -14.253 -1.078 2.570
240 2HB HIS 31 1HB HIS 31 -13.617 0.490 2.083
241 HD1 HIS 31 HD1 HIS 31 -15.287 -1.258 4.851
242 HD2 HIS 31 HD2 HIS 31 -14.484 2.668 3.752
243 HE1 HIS 31 HE1 HIS 31 -15.657 0.110 6.928
244 HE2 HIS 31 HE2 HIS 31 -15.225 2.491 6.225
245 H ALA 32 H ALA 32 -17.489 -0.653 -0.088
246 HA ALA 32 HA ALA 32 -16.075 -3.004 -1.039
247 1HB ALA 32 2HB ALA 32 -18.684 -2.613 -0.508
248 2HB ALA 32 1HB ALA 32 -18.688 -2.281 -2.238
249 3HB ALA 32 3HB ALA 32 -18.105 -3.835 -1.636
250 H ARG 33 H ARG 33 -16.859 -3.278 -3.624
251 HA ARG 33 HA ARG 33 -15.230 -1.264 -4.946
252 1HB ARG 33 2HB ARG 33 -14.539 -3.053 -6.122
253 2HB ARG 33 1HB ARG 33 -15.747 -4.057 -5.346
254 1HG ARG 33 2HG ARG 33 -17.374 -3.236 -7.104
255 2HG ARG 33 1HG ARG 33 -15.983 -2.543 -7.928
256 1HD ARG 33 2HD ARG 33 -15.367 -5.229 -7.275
257 2HD ARG 33 1HD ARG 33 -16.960 -5.217 -8.008
258 HE ARG 33 HE ARG 33 -14.568 -4.060 -9.286
259 1HH1 ARG 33 1HH2 ARG 33 -17.590 -5.803 -9.470
260 2HH1 ARG 33 2HH2 ARG 33 -17.509 -5.997 -11.187
261 1HH2 ARG 33 2HH1 ARG 33 -14.461 -4.327 -11.534
262 2HH2 ARG 33 1HH1 ARG 33 -15.733 -5.164 -12.359
263 H SER 34 H SER 34 -18.533 -2.507 -4.964
264 HA SER 34 HA SER 34 -19.636 -0.046 -5.768
265 1HB SER 34 2HB SER 34 -20.035 -0.211 -8.024
266 2HB SER 34 1HB SER 34 -18.496 -1.067 -7.935
267 HG SER 34 HG SER 34 -20.038 -2.249 -9.127
268 H GLY 35 H GLY 35 -21.789 -1.376 -7.392
269 1HA GLY 35 2HA GLY 35 -23.117 -3.466 -6.452
270 2HA GLY 35 1HA GLY 35 -23.295 -2.369 -5.094
271 H GLU 36 H GLU 36 -25.538 -3.237 -6.117
272 HA GLU 36 HA GLU 36 -26.929 -0.923 -6.876
273 1HB GLU 36 2HB GLU 36 -27.665 -2.235 -9.170
274 2HB GLU 36 1HB GLU 36 -26.531 -0.897 -9.099
275 1HG GLU 36 2HG GLU 36 -25.382 -3.580 -8.662
276 2HG GLU 36 1HG GLU 36 -25.993 -3.250 -10.279
277 H CYS 37 H CYS 37 -29.281 -1.553 -7.588
278 HA CYS 37 HA CYS 37 -30.125 -3.591 -5.711
279 1HB CYS 37 2HB CYS 37 -31.198 -1.131 -6.606
280 2HB CYS 37 1HB CYS 37 -32.364 -2.384 -7.019
281 H PHE 38 H PHE 38 -31.394 -5.341 -6.108
282 HA PHE 38 HA PHE 38 -32.032 -6.052 -8.864
283 1HB PHE 38 2HB PHE 38 -30.308 -7.755 -7.053
284 2HB PHE 38 1HB PHE 38 -31.038 -8.329 -8.549
285 HD1 PHE 38 HD1 PHE 38 -30.283 -7.434 -10.715
286 HD2 PHE 38 HD2 PHE 38 -28.370 -6.381 -7.063
287 HE1 PHE 38 HE1 PHE 38 -28.333 -6.619 -11.975
288 HE2 PHE 38 HE2 PHE 38 -26.417 -5.569 -8.315
289 HZ PHE 38 HZ PHE 38 -26.395 -5.683 -10.775
290 H TYR 39 H TYR 39 -33.693 -7.617 -9.041
291 HA TYR 39 HA TYR 39 -35.452 -7.683 -6.763
292 1HB TYR 39 2HB TYR 39 -35.663 -8.477 -9.631
293 2HB TYR 39 1HB TYR 39 -36.828 -9.128 -8.482
294 HD1 TYR 39 HD2 TYR 39 -35.479 -6.006 -9.921
295 HD2 TYR 39 HD1 TYR 39 -38.605 -7.787 -7.650
296 HE1 TYR 39 HE2 TYR 39 -36.780 -3.927 -10.097
297 HE2 TYR 39 HE1 TYR 39 -39.917 -5.713 -7.823
298 HH TYR 39 HH TYR 39 -39.733 -3.576 -9.829
299 H ASP 40 H ASP 40 -36.302 -9.528 -5.758
300 HA ASP 40 HA ASP 40 -34.435 -11.790 -5.719
301 1HB ASP 40 2HB ASP 40 -35.534 -12.367 -3.569
302 2HB ASP 40 1HB ASP 40 -34.824 -10.755 -3.563
303 H GLU 41 H GLU 41 -35.751 -13.873 -4.887
304 HA GLU 41 HA GLU 41 -37.148 -14.788 -7.139
305 1HB GLU 41 2HB GLU 41 -35.890 -16.034 -5.138
306 2HB GLU 41 1HB GLU 41 -37.536 -16.191 -4.544
307 1HG GLU 41 2HG GLU 41 -37.260 -18.135 -5.737
308 2HG GLU 41 1HG GLU 41 -38.045 -17.087 -6.918
309 H LYS 42 H LYS 42 -38.216 -12.873 -4.598
310 HA LYS 42 HA LYS 42 -40.996 -13.762 -4.806
311 1HB LYS 42 2HB LYS 42 -39.447 -12.054 -2.918
312 2HB LYS 42 1HB LYS 42 -41.161 -11.708 -3.100
313 1HG LYS 42 2HG LYS 42 -41.633 -14.087 -2.556
314 2HG LYS 42 1HG LYS 42 -39.913 -14.300 -2.222
315 1HD LYS 42 2HD LYS 42 -40.363 -12.158 -0.688
316 2HD LYS 42 1HD LYS 42 -41.991 -12.842 -0.676
317 1HE LYS 42 2HE LYS 42 -39.432 -14.169 0.194
318 2HE LYS 42 1HE LYS 42 -40.799 -13.711 1.208
319 1HZ LYS 42 3HZ LYS 42 -42.077 -15.299 -0.393
320 2HZ LYS 42 2HZ LYS 42 -40.544 -15.961 -0.660
321 3HZ LYS 42 1HZ LYS 42 -41.191 -15.931 0.902
322 H ARG 43 H ARG 43 -39.648 -10.525 -4.515
323 HA ARG 43 HA ARG 43 -40.146 -9.535 -7.047
324 1HB ARG 43 2HB ARG 43 -42.224 -8.254 -6.721
325 2HB ARG 43 1HB ARG 43 -42.466 -9.990 -6.788
326 1HG ARG 43 2HG ARG 43 -42.417 -9.912 -4.234
327 2HG ARG 43 1HG ARG 43 -42.612 -8.167 -4.420
328 1HD ARG 43 2HD ARG 43 -44.817 -8.569 -4.517
329 2HD ARG 43 1HD ARG 43 -44.509 -9.214 -6.129
330 HE ARG 43 HE ARG 43 -44.036 -11.289 -4.379
331 1HH1 ARG 43 1HH2 ARG 43 -46.710 -9.223 -5.223
332 2HH1 ARG 43 2HH2 ARG 43 -47.915 -10.415 -4.867
333 1HH2 ARG 43 2HH1 ARG 43 -45.618 -12.869 -3.903
334 2HH2 ARG 43 1HH1 ARG 43 -47.295 -12.486 -4.115
335 H ASN 44 H ASN 44 -39.083 -9.172 -3.964
336 HA ASN 44 HA ASN 44 -39.173 -6.258 -3.943
337 1HB ASN 44 2HB ASN 44 -38.261 -8.301 -1.920
338 2HB ASN 44 1HB ASN 44 -37.989 -6.573 -1.709
339 1HD2 ASN 44 2HD2 ASN 44 -41.901 -7.753 -1.885
340 2HD2 ASN 44 1HD2 ASN 44 -40.742 -8.380 -3.001
341 H LEU 45 H LEU 45 -37.321 -4.965 -3.789
342 HA LEU 45 HA LEU 45 -35.062 -6.022 -5.284
343 1HB LEU 45 2HB LEU 45 -35.678 -3.204 -4.400
344 2HB LEU 45 1HB LEU 45 -34.363 -3.677 -5.462
345 HG LEU 45 HG LEU 45 -36.065 -4.510 -7.097
346 1HD1 LEU 45 1HD1 LEU 45 -37.907 -3.427 -5.006
347 2HD1 LEU 45 3HD1 LEU 45 -38.375 -3.392 -6.706
348 3HD1 LEU 45 2HD1 LEU 45 -38.010 -4.929 -5.926
349 1HD2 LEU 45 3HD2 LEU 45 -35.003 -2.294 -7.289
350 2HD2 LEU 45 2HD2 LEU 45 -36.644 -2.318 -7.934
351 3HD2 LEU 45 1HD2 LEU 45 -36.328 -1.600 -6.354
352 H GLN 46 H GLN 46 -32.885 -5.711 -4.632
353 HA GLN 46 HA GLN 46 -32.395 -5.079 -1.825
354 1HB GLN 46 2HB GLN 46 -31.834 -7.749 -3.104
355 2HB GLN 46 1HB GLN 46 -30.888 -7.179 -1.735
356 1HG GLN 46 2HG GLN 46 -32.448 -8.307 -0.560
357 2HG GLN 46 1HG GLN 46 -33.357 -6.806 -0.746
358 1HE2 GLN 46 2HE2 GLN 46 -35.358 -9.842 -1.716
359 2HE2 GLN 46 1HE2 GLN 46 -34.358 -9.483 -0.353
360 H CYS 47 H CYS 47 -30.544 -4.009 -1.537
361 HA CYS 47 HA CYS 47 -28.983 -3.336 -3.855
362 1HB CYS 47 2HB CYS 47 -28.910 -2.424 -0.995
363 2HB CYS 47 1HB CYS 47 -27.753 -1.867 -2.202
364 H ILE 48 H ILE 48 -27.583 -4.757 -4.566
365 HA ILE 48 HA ILE 48 -26.016 -6.374 -2.735
366 HB ILE 48 HB ILE 48 -26.041 -6.323 -5.751
367 1HG1 ILE 48 2HG1 ILE 48 -27.353 -8.159 -3.735
368 2HG1 ILE 48 1HG1 ILE 48 -28.155 -7.119 -4.908
369 1HG2 ILE 48 3HG2 ILE 48 -24.705 -8.233 -3.836
370 2HG2 ILE 48 2HG2 ILE 48 -24.817 -8.456 -5.582
371 3HG2 ILE 48 1HG2 ILE 48 -23.902 -7.103 -4.925
372 1HD1 ILE 48 2HD1 ILE 48 -27.027 -8.506 -6.695
373 2HD1 ILE 48 1HD1 ILE 48 -26.610 -9.637 -5.408
374 3HD1 ILE 48 3HD1 ILE 48 -28.302 -9.294 -5.765
375 H CYS 49 H CYS 49 -24.125 -5.761 -1.991
376 HA CYS 49 HA CYS 49 -22.670 -3.568 -3.265
377 1HB CYS 49 2HB CYS 49 -22.313 -4.988 -0.622
378 2HB CYS 49 1HB CYS 49 -21.243 -3.718 -1.195
379 H ASP 50 H ASP 50 -21.116 -4.021 -4.688
380 HA ASP 50 HA ASP 50 -20.072 -6.721 -4.870
381 1HB ASP 50 2HB ASP 50 -20.770 -5.208 -6.845
382 2HB ASP 50 1HB ASP 50 -19.221 -4.413 -6.602
383 H TYR 51 H TYR 51 -17.959 -7.316 -4.657
384 HA TYR 51 HA TYR 51 -16.044 -5.386 -3.550
385 1HB TYR 51 2HB TYR 51 -16.856 -8.030 -2.343
386 2HB TYR 51 1HB TYR 51 -15.380 -7.185 -1.895
387 HD1 TYR 51 HD1 TYR 51 -19.055 -7.092 -1.767
388 HD2 TYR 51 HD2 TYR 51 -15.444 -5.284 -0.438
389 HE1 TYR 51 HE1 TYR 51 -20.310 -5.842 -0.069
390 HE2 TYR 51 HE2 TYR 51 -16.696 -4.026 1.265
391 HH TYR 51 HH TYR 51 -19.349 -4.699 2.450
392 H CYS 52 H CYS 52 -16.088 -6.411 -6.166
393 HA CYS 52 HA CYS 52 -14.198 -8.608 -6.205
394 1HB CYS 52 2HB CYS 52 -15.601 -7.169 -8.450
395 2HB CYS 52 1HB CYS 52 -14.519 -8.540 -8.664
396 H GLU 53 H GLU 53 -14.193 -5.893 -8.429
397 HA GLU 53 HA GLU 53 -12.147 -5.130 -9.425
398 1HB GLU 53 2HB GLU 53 -13.435 -3.358 -8.229
399 2HB GLU 53 1HB GLU 53 -12.435 -3.642 -6.813
400 1HG GLU 53 2HG GLU 53 -10.488 -3.209 -8.546
401 2HG GLU 53 1HG GLU 53 -11.760 -2.319 -9.380
402 H TYR 54 HN TYR 54 -11.403 -4.833 -6.005
403 HA TYR 54 HA TYR 54 -8.802 -4.887 -5.807
404 1HB TYR 54 2HB TYR 54 -10.364 -6.924 -4.227
405 2HB TYR 54 1HB TYR 54 -8.953 -5.998 -3.713
406 HD1 TYR 54 HD1 TYR 54 -9.523 -3.295 -4.368
407 HD2 TYR 54 HD2 TYR 54 -12.208 -6.282 -2.972
408 HE1 TYR 54 HE1 TYR 54 -10.985 -1.549 -3.482
409 HE2 TYR 54 HE2 TYR 54 -13.688 -4.534 -2.070
410 HH TYR 54 HH TYR 54 -13.433 -1.307 -2.913
No H/Q in entry = 410
Start of MODEL 40
1 HN PCA 1 HN PCA 1 -13.313 -16.738 1.884
2 HA PCA 1 HA PCA 1 -15.516 -17.652 2.816
3 1HB PCA 1 1HB PCA 1 -15.886 -17.280 5.017
4 2HB PCA 1 2HB PCA 1 -15.862 -15.519 4.761
5 1HG PCA 1 1HG PCA 1 -13.750 -17.240 5.793
6 2HG PCA 1 2HG PCA 1 -13.762 -15.472 5.656
7 H ASP 2 H ASP 2 -16.693 -17.025 1.113
8 HA ASP 2 HA ASP 2 -17.575 -15.661 -0.519
9 1HB ASP 2 2HB ASP 2 -19.078 -13.854 0.670
10 2HB ASP 2 1HB ASP 2 -19.452 -15.570 0.815
11 H LYS 3 H LYS 3 -17.697 -12.848 1.435
12 HA LYS 3 HA LYS 3 -16.761 -10.785 1.250
13 1HB LYS 3 2HB LYS 3 -14.372 -12.484 0.551
14 2HB LYS 3 1HB LYS 3 -14.281 -10.737 0.699
15 1HG LYS 3 2HG LYS 3 -15.486 -12.200 2.971
16 2HG LYS 3 1HG LYS 3 -13.752 -12.409 2.723
17 1HD LYS 3 2HD LYS 3 -13.619 -9.864 2.652
18 2HD LYS 3 1HD LYS 3 -15.276 -9.870 3.263
19 1HE LYS 3 2HE LYS 3 -12.901 -11.173 4.589
20 2HE LYS 3 1HE LYS 3 -13.631 -9.642 5.069
21 1HZ LYS 3 1HZ LYS 3 -15.299 -12.061 4.935
22 2HZ LYS 3 3HZ LYS 3 -14.291 -11.823 6.273
23 3HZ LYS 3 2HZ LYS 3 -15.485 -10.685 5.901
24 H CYS 4 H CYS 4 -15.557 -9.278 -0.307
25 HA CYS 4 HA CYS 4 -15.496 -8.212 -2.295
26 1HB CYS 4 2HB CYS 4 -15.276 -11.054 -3.200
27 2HB CYS 4 1HB CYS 4 -15.392 -9.756 -4.378
28 H LYS 5 H LYS 5 -18.018 -10.513 -1.771
29 HA LYS 5 HA LYS 5 -19.857 -8.788 -3.251
30 1HB LYS 5 2HB LYS 5 -19.465 -11.737 -3.703
31 2HB LYS 5 1HB LYS 5 -20.995 -10.952 -4.070
32 1HG LYS 5 2HG LYS 5 -20.189 -9.944 -5.924
33 2HG LYS 5 1HG LYS 5 -18.615 -9.631 -5.192
34 1HD LYS 5 2HD LYS 5 -18.328 -11.176 -7.011
35 2HD LYS 5 1HD LYS 5 -18.055 -12.032 -5.492
36 1HE LYS 5 2HE LYS 5 -19.412 -13.544 -6.530
37 2HE LYS 5 1HE LYS 5 -20.640 -12.550 -5.748
38 1HZ LYS 5 1HZ LYS 5 -19.945 -11.487 -8.285
39 2HZ LYS 5 3HZ LYS 5 -20.419 -13.104 -8.434
40 3HZ LYS 5 2HZ LYS 5 -21.457 -11.981 -7.713
41 H LYS 6 H LYS 6 -21.040 -8.098 -1.540
42 HA LYS 6 HA LYS 6 -22.473 -10.150 -0.021
43 1HB LYS 6 2HB LYS 6 -21.096 -7.812 1.284
44 2HB LYS 6 1HB LYS 6 -22.073 -9.029 2.091
45 1HG LYS 6 2HG LYS 6 -20.465 -10.705 1.758
46 2HG LYS 6 1HG LYS 6 -19.587 -9.737 0.571
47 1HD LYS 6 2HD LYS 6 -18.318 -9.607 2.533
48 2HD LYS 6 1HD LYS 6 -19.188 -8.079 2.434
49 1HE LYS 6 2HE LYS 6 -19.192 -9.040 4.711
50 2HE LYS 6 1HE LYS 6 -20.811 -8.846 4.043
51 1HZ LYS 6 2HZ LYS 6 -19.447 -11.418 3.692
52 2HZ LYS 6 1HZ LYS 6 -20.099 -11.054 5.209
53 3HZ LYS 6 3HZ LYS 6 -21.099 -11.088 3.845
54 H VAL 7 H VAL 7 -24.553 -9.708 0.256
55 HA VAL 7 HA VAL 7 -25.715 -7.425 -0.943
56 HB VAL 7 HB VAL 7 -27.807 -8.281 -0.330
57 1HG1 VAL 7 1HG1 VAL 7 -26.214 -9.830 -1.691
58 2HG1 VAL 7 3HG1 VAL 7 -26.296 -10.854 -0.258
59 3HG1 VAL 7 2HG1 VAL 7 -27.771 -10.443 -1.132
60 1HG2 VAL 7 2HG2 VAL 7 -26.361 -9.396 2.026
61 2HG2 VAL 7 1HG2 VAL 7 -27.855 -8.464 1.951
62 3HG2 VAL 7 3HG2 VAL 7 -27.857 -10.163 1.489
63 H TYR 8 H TYR 8 -26.903 -5.710 0.108
64 HA TYR 8 HA TYR 8 -25.583 -4.807 2.512
65 1HB TYR 8 2HB TYR 8 -26.339 -3.421 0.426
66 2HB TYR 8 1HB TYR 8 -27.888 -3.355 1.257
67 HD1 TYR 8 HD2 TYR 8 -26.374 -3.335 4.076
68 HD2 TYR 8 HD1 TYR 8 -26.138 -0.996 0.532
69 HE1 TYR 8 HE2 TYR 8 -25.538 -1.445 5.391
70 HE2 TYR 8 HE1 TYR 8 -25.299 0.911 1.841
71 HH TYR 8 HH TYR 8 -24.563 1.590 3.841
72 H GLU 9 H GLU 9 -27.087 -7.141 2.798
73 HA GLU 9 HA GLU 9 -29.159 -7.925 3.727
74 1HB GLU 9 2HB GLU 9 -28.568 -7.746 6.265
75 2HB GLU 9 1HB GLU 9 -27.550 -8.679 5.177
76 1HG GLU 9 2HG GLU 9 -25.882 -7.052 5.146
77 2HG GLU 9 1HG GLU 9 -26.958 -5.808 5.780
78 H ASN 10 H ASN 10 -28.654 -5.878 6.358
79 HA ASN 10 HA ASN 10 -31.201 -5.192 6.902
80 1HB ASN 10 2HB ASN 10 -28.680 -3.609 7.361
81 2HB ASN 10 1HB ASN 10 -30.236 -3.130 8.033
82 1HD2 ASN 10 2HD2 ASN 10 -29.525 -5.006 10.840
83 2HD2 ASN 10 1HD2 ASN 10 -29.933 -3.481 10.142
84 H TYR 11 H TYR 11 -29.073 -2.700 5.506
85 HA TYR 11 HA TYR 11 -29.893 -0.660 4.634
86 1HB TYR 11 2HB TYR 11 -28.735 -2.145 2.960
87 2HB TYR 11 1HB TYR 11 -30.333 -2.592 2.369
88 HD1 TYR 11 HD2 TYR 11 -28.256 0.438 3.064
89 HD2 TYR 11 HD1 TYR 11 -31.275 -1.345 0.655
90 HE1 TYR 11 HE2 TYR 11 -28.276 2.431 1.624
91 HE2 TYR 11 HE1 TYR 11 -31.305 0.644 -0.791
92 HH TYR 11 HH TYR 11 -28.926 2.945 -0.812
93 HA PRO 12 HA PRO 12 -34.413 -0.765 5.443
94 1HB PRO 12 2HB PRO 12 -33.910 2.011 4.434
95 2HB PRO 12 1HB PRO 12 -34.945 1.471 5.763
96 1HG PRO 12 2HG PRO 12 -32.551 2.514 6.262
97 2HG PRO 12 1HG PRO 12 -33.152 1.132 7.198
98 1HD PRO 12 2HD PRO 12 -31.057 1.229 5.098
99 2HD PRO 12 1HD PRO 12 -31.221 0.127 6.480
100 H VAL 13 H VAL 13 -34.928 -2.154 3.726
101 HA VAL 13 HA VAL 13 -34.797 -1.603 1.003
102 HB VAL 13 HB VAL 13 -37.112 -3.158 2.080
103 1HG1 VAL 13 1HG1 VAL 13 -36.574 -2.887 -0.377
104 2HG1 VAL 13 3HG1 VAL 13 -35.147 -3.879 -0.080
105 3HG1 VAL 13 2HG1 VAL 13 -36.757 -4.543 0.201
106 1HG2 VAL 13 1HG2 VAL 13 -34.222 -3.795 2.488
107 2HG2 VAL 13 3HG2 VAL 13 -35.586 -4.003 3.588
108 3HG2 VAL 13 2HG2 VAL 13 -35.379 -5.100 2.221
109 H SER 14 H SER 14 -35.473 0.430 0.404
110 HA SER 14 HA SER 14 -38.174 0.811 -0.206
111 1HB SER 14 2HB SER 14 -38.571 2.822 1.327
112 2HB SER 14 1HB SER 14 -38.685 1.226 2.067
113 HG SER 14 HG SER 14 -36.676 3.174 2.319
114 H LYS 15 H LYS 15 -35.340 1.174 -1.121
115 HA LYS 15 HA LYS 15 -35.756 3.389 -2.798
116 1HB LYS 15 2HB LYS 15 -34.670 4.020 -0.210
117 2HB LYS 15 1HB LYS 15 -33.455 4.360 -1.435
118 1HG LYS 15 2HG LYS 15 -35.223 5.676 -2.656
119 2HG LYS 15 1HG LYS 15 -36.231 5.498 -1.218
120 1HD LYS 15 2HD LYS 15 -34.581 6.641 0.127
121 2HD LYS 15 1HD LYS 15 -33.470 6.715 -1.242
122 1HE LYS 15 2HE LYS 15 -36.125 7.876 -1.759
123 2HE LYS 15 1HE LYS 15 -35.183 8.715 -0.527
124 1HZ LYS 15 3HZ LYS 15 -34.152 8.057 -3.231
125 2HZ LYS 15 2HZ LYS 15 -34.835 9.548 -2.817
126 3HZ LYS 15 1HZ LYS 15 -33.412 9.033 -2.063
127 H CYS 16 H CYS 16 -34.943 2.426 -4.533
128 HA CYS 16 HA CYS 16 -32.155 1.994 -4.818
129 1HB CYS 16 2HB CYS 16 -33.591 -0.170 -3.713
130 2HB CYS 16 1HB CYS 16 -33.217 -0.627 -5.370
131 H GLN 17 H GLN 17 -35.286 2.248 -6.078
132 HA GLN 17 HA GLN 17 -34.982 1.138 -8.637
133 1HB GLN 17 2HB GLN 17 -36.746 3.295 -7.516
134 2HB GLN 17 1HB GLN 17 -36.783 2.903 -9.229
135 1HG GLN 17 2HG GLN 17 -37.238 0.896 -7.036
136 2HG GLN 17 1HG GLN 17 -38.527 1.779 -7.852
137 1HE2 GLN 17 2HE2 GLN 17 -38.554 -0.229 -10.682
138 2HE2 GLN 17 1HE2 GLN 17 -39.156 1.174 -9.873
139 H LEU 18 H LEU 18 -32.779 2.997 -7.602
140 HA LEU 18 HA LEU 18 -32.101 4.139 -10.130
141 1HB LEU 18 2HB LEU 18 -33.000 5.902 -7.870
142 2HB LEU 18 1HB LEU 18 -31.777 6.471 -8.985
143 HG LEU 18 HG LEU 18 -34.646 5.793 -9.604
144 1HD1 LEU 18 2HD1 LEU 18 -33.852 8.039 -8.597
145 2HD1 LEU 18 1HD1 LEU 18 -33.231 8.344 -10.219
146 3HD1 LEU 18 3HD1 LEU 18 -34.951 8.043 -9.977
147 1HD2 LEU 18 1HD2 LEU 18 -32.291 6.085 -11.413
148 2HD2 LEU 18 3HD2 LEU 18 -33.674 4.999 -11.537
149 3HD2 LEU 18 2HD2 LEU 18 -33.858 6.706 -11.932
150 H ALA 19 H ALA 19 -29.929 4.256 -10.312
151 HA ALA 19 HA ALA 19 -28.222 3.132 -8.413
152 1HB ALA 19 2HB ALA 19 -27.879 3.584 -10.949
153 2HB ALA 19 1HB ALA 19 -27.194 5.113 -10.400
154 3HB ALA 19 3HB ALA 19 -26.487 3.588 -9.866
155 H ASN 20 H ASN 20 -26.091 4.528 -7.907
156 HA ASN 20 HA ASN 20 -25.123 6.239 -6.759
157 1HB ASN 20 2HB ASN 20 -27.158 7.590 -7.977
158 2HB ASN 20 1HB ASN 20 -27.570 7.833 -6.284
159 1HD2 ASN 20 2HD2 ASN 20 -24.695 9.792 -5.580
160 2HD2 ASN 20 1HD2 ASN 20 -25.796 8.651 -4.896
161 H GLN 21 H GLN 21 -28.395 6.445 -5.404
162 HA GLN 21 HA GLN 21 -27.995 6.591 -2.806
163 1HB GLN 21 2HB GLN 21 -30.040 5.373 -4.436
164 2HB GLN 21 1HB GLN 21 -29.863 4.463 -2.943
165 1HG GLN 21 2HG GLN 21 -31.497 6.047 -2.476
166 2HG GLN 21 1HG GLN 21 -30.031 6.710 -1.755
167 1HE2 GLN 21 2HE2 GLN 21 -29.679 9.143 -4.448
168 2HE2 GLN 21 1HE2 GLN 21 -28.734 7.905 -3.701
169 H CYS 22 H CYS 22 -28.606 3.245 -3.765
170 HA CYS 22 HA CYS 22 -27.123 2.158 -1.646
171 1HB CYS 22 2HB CYS 22 -28.955 1.068 -3.104
172 2HB CYS 22 1HB CYS 22 -27.643 0.686 -4.216
173 H ASN 23 H ASN 23 -26.321 2.590 -5.066
174 HA ASN 23 HA ASN 23 -23.859 1.341 -5.151
175 1HB ASN 23 2HB ASN 23 -25.385 2.787 -6.912
176 2HB ASN 23 1HB ASN 23 -24.005 3.860 -6.690
177 1HD2 ASN 23 2HD2 ASN 23 -21.675 1.415 -7.978
178 2HD2 ASN 23 1HD2 ASN 23 -21.858 2.474 -6.625
179 H TYR 24 H TYR 24 -24.061 4.899 -5.114
180 HA TYR 24 HA TYR 24 -21.495 5.414 -4.317
181 1HB TYR 24 2HB TYR 24 -22.397 7.440 -4.740
182 2HB TYR 24 1HB TYR 24 -24.015 6.894 -4.323
183 HD1 TYR 24 HD1 TYR 24 -20.840 7.435 -2.421
184 HD2 TYR 24 HD2 TYR 24 -25.009 8.214 -2.736
185 HE1 TYR 24 HE1 TYR 24 -20.743 8.741 -0.343
186 HE2 TYR 24 HE2 TYR 24 -24.924 9.524 -0.656
187 HH TYR 24 HH TYR 24 -23.664 10.197 1.054
188 H ASP 25 H ASP 25 -24.299 4.906 -2.183
189 HA ASP 25 HA ASP 25 -23.110 5.363 0.261
190 1HB ASP 25 2HB ASP 25 -25.301 3.470 -0.553
191 2HB ASP 25 1HB ASP 25 -24.793 3.628 1.126
192 H CYS 26 H CYS 26 -23.705 2.019 -0.836
193 HA CYS 26 HA CYS 26 -21.937 0.853 0.931
194 1HB CYS 26 2HB CYS 26 -23.335 0.026 -1.489
195 2HB CYS 26 1HB CYS 26 -21.785 -0.791 -1.315
196 H LYS 27 H LYS 27 -21.328 2.251 -2.231
197 HA LYS 27 HA LYS 27 -18.660 1.417 -2.520
198 1HB LYS 27 2HB LYS 27 -19.972 2.285 -4.383
199 2HB LYS 27 1HB LYS 27 -20.030 3.865 -3.620
200 1HG LYS 27 2HG LYS 27 -17.821 4.323 -4.078
201 2HG LYS 27 1HG LYS 27 -17.394 2.616 -4.226
202 1HD LYS 27 2HD LYS 27 -18.742 2.514 -6.310
203 2HD LYS 27 1HD LYS 27 -19.010 4.255 -6.176
204 1HE LYS 27 2HE LYS 27 -16.736 4.742 -6.520
205 2HE LYS 27 1HE LYS 27 -16.249 3.077 -6.205
206 1HZ LYS 27 2HZ LYS 27 -17.991 3.723 -8.494
207 2HZ LYS 27 1HZ LYS 27 -16.314 3.901 -8.615
208 3HZ LYS 27 3HZ LYS 27 -16.982 2.385 -8.272
209 H LEU 28 H LEU 28 -19.731 3.082 0.015
210 HA LEU 28 HA LEU 28 -17.133 4.173 0.579
211 1HB LEU 28 2HB LEU 28 -18.088 5.959 -0.796
212 2HB LEU 28 1HB LEU 28 -19.462 6.068 0.286
213 HG LEU 28 HG LEU 28 -16.855 6.399 1.620
214 1HD1 LEU 28 1HD1 LEU 28 -16.409 7.519 -0.544
215 2HD1 LEU 28 3HD1 LEU 28 -17.806 8.558 -0.256
216 3HD1 LEU 28 2HD1 LEU 28 -16.417 8.625 0.831
217 1HD2 LEU 28 3HD2 LEU 28 -19.154 6.749 2.605
218 2HD2 LEU 28 2HD2 LEU 28 -17.999 8.060 2.849
219 3HD2 LEU 28 1HD2 LEU 28 -19.256 8.208 1.621
220 H ASP 29 H ASP 29 -20.370 3.394 1.512
221 HA ASP 29 HA ASP 29 -20.214 4.289 4.212
222 1HB ASP 29 2HB ASP 29 -22.075 2.687 2.580
223 2HB ASP 29 1HB ASP 29 -22.026 2.213 4.274
224 H LYS 30 H LYS 30 -19.942 1.060 2.742
225 HA LYS 30 HA LYS 30 -18.549 0.104 5.145
226 1HB LYS 30 2HB LYS 30 -19.684 -1.455 2.816
227 2HB LYS 30 1HB LYS 30 -18.995 -2.147 4.278
228 1HG LYS 30 2HG LYS 30 -20.787 -1.481 5.601
229 2HG LYS 30 1HG LYS 30 -21.324 -0.275 4.434
230 1HD LYS 30 2HD LYS 30 -22.894 -1.910 4.098
231 2HD LYS 30 1HD LYS 30 -21.692 -2.395 2.904
232 1HE LYS 30 2HE LYS 30 -22.221 -4.379 3.999
233 2HE LYS 30 1HE LYS 30 -20.723 -3.862 4.776
234 1HZ LYS 30 1HZ LYS 30 -22.569 -2.685 6.316
235 2HZ LYS 30 3HZ LYS 30 -23.392 -4.094 5.871
236 3HZ LYS 30 2HZ LYS 30 -21.889 -4.198 6.643
237 H HIS 31 H HIS 31 -17.774 1.566 2.386
238 HA HIS 31 HA HIS 31 -15.821 1.840 1.250
239 1HB HIS 31 2HB HIS 31 -14.549 -0.344 2.884
240 2HB HIS 31 1HB HIS 31 -13.785 1.053 2.131
241 HD1 HIS 31 HD1 HIS 31 -14.964 -0.134 5.312
242 HD2 HIS 31 HD2 HIS 31 -14.642 3.575 3.467
243 HE1 HIS 31 HE1 HIS 31 -15.087 1.554 7.171
244 HE2 HIS 31 HE2 HIS 31 -14.941 3.792 6.027
245 H ALA 32 H ALA 32 -17.759 0.268 0.158
246 HA ALA 32 HA ALA 32 -16.553 -2.189 -0.796
247 1HB ALA 32 2HB ALA 32 -19.053 -1.768 -0.220
248 2HB ALA 32 1HB ALA 32 -19.126 -1.101 -1.850
249 3HB ALA 32 3HB ALA 32 -18.633 -2.777 -1.604
250 H ARG 33 H ARG 33 -18.084 -1.806 -3.382
251 HA ARG 33 HA ARG 33 -16.391 0.145 -4.748
252 1HB ARG 33 2HB ARG 33 -16.365 -2.813 -5.201
253 2HB ARG 33 1HB ARG 33 -16.114 -1.737 -6.567
254 1HG ARG 33 2HG ARG 33 -14.472 -1.787 -4.043
255 2HG ARG 33 1HG ARG 33 -14.005 -2.478 -5.599
256 1HD ARG 33 2HD ARG 33 -12.988 -0.481 -5.891
257 2HD ARG 33 1HD ARG 33 -14.605 0.062 -6.337
258 HE ARG 33 HE ARG 33 -14.766 0.624 -3.834
259 1HH1 ARG 33 1HH2 ARG 33 -11.853 0.832 -5.740
260 2HH1 ARG 33 2HH2 ARG 33 -11.167 2.100 -4.783
261 1HH2 ARG 33 2HH1 ARG 33 -13.868 2.284 -2.565
262 2HH2 ARG 33 1HH1 ARG 33 -12.307 2.920 -2.968
263 H SER 34 H SER 34 -19.197 -1.967 -4.738
264 HA SER 34 HA SER 34 -20.601 -0.088 -6.426
265 1HB SER 34 2HB SER 34 -21.293 -2.164 -7.931
266 2HB SER 34 1HB SER 34 -19.852 -1.210 -8.287
267 HG SER 34 HG SER 34 -20.076 -3.795 -7.273
268 H GLY 35 H GLY 35 -22.503 0.169 -5.478
269 1HA GLY 35 2HA GLY 35 -23.707 -2.092 -4.021
270 2HA GLY 35 1HA GLY 35 -24.044 -0.402 -3.713
271 H GLU 36 H GLU 36 -24.347 -2.900 -6.212
272 HA GLU 36 HA GLU 36 -26.395 -1.500 -7.628
273 1HB GLU 36 2HB GLU 36 -25.290 -4.288 -7.792
274 2HB GLU 36 1HB GLU 36 -26.678 -3.793 -8.754
275 1HG GLU 36 2HG GLU 36 -25.414 -2.161 -9.907
276 2HG GLU 36 1HG GLU 36 -24.063 -2.318 -8.786
277 H CYS 37 H CYS 37 -28.422 -2.964 -8.197
278 HA CYS 37 HA CYS 37 -29.591 -4.202 -5.850
279 1HB CYS 37 2HB CYS 37 -30.106 -1.482 -6.473
280 2HB CYS 37 1HB CYS 37 -31.568 -2.377 -6.872
281 H PHE 38 H PHE 38 -31.213 -5.698 -6.357
282 HA PHE 38 HA PHE 38 -32.163 -5.791 -9.114
283 1HB PHE 38 2HB PHE 38 -30.528 -8.002 -7.866
284 2HB PHE 38 1HB PHE 38 -31.457 -8.174 -9.354
285 HD1 PHE 38 HD2 PHE 38 -30.980 -6.332 -11.150
286 HD2 PHE 38 HD1 PHE 38 -28.300 -7.432 -8.031
287 HE1 PHE 38 HE2 PHE 38 -29.099 -5.429 -12.457
288 HE2 PHE 38 HE1 PHE 38 -26.412 -6.527 -9.332
289 HZ PHE 38 HZ PHE 38 -26.811 -5.523 -11.546
290 H TYR 39 H TYR 39 -33.983 -6.842 -9.480
291 HA TYR 39 HA TYR 39 -35.197 -8.688 -7.746
292 1HB TYR 39 2HB TYR 39 -36.507 -7.452 -6.405
293 2HB TYR 39 1HB TYR 39 -35.449 -6.122 -6.846
294 HD1 TYR 39 HD2 TYR 39 -36.266 -5.341 -9.449
295 HD2 TYR 39 HD1 TYR 39 -38.612 -6.697 -6.152
296 HE1 TYR 39 HE2 TYR 39 -38.184 -4.053 -10.298
297 HE2 TYR 39 HE1 TYR 39 -40.522 -5.390 -6.991
298 HH TYR 39 HH TYR 39 -40.488 -3.018 -8.860
299 H ASP 40 H ASP 40 -37.359 -9.349 -8.567
300 HA ASP 40 HA ASP 40 -37.509 -8.914 -11.449
301 1HB ASP 40 2HB ASP 40 -39.194 -10.881 -11.232
302 2HB ASP 40 1HB ASP 40 -37.468 -11.200 -11.100
303 H GLU 41 H GLU 41 -40.104 -9.774 -9.350
304 HA GLU 41 HA GLU 41 -41.368 -7.257 -9.600
305 1HB GLU 41 2HB GLU 41 -41.616 -8.666 -11.867
306 2HB GLU 41 1HB GLU 41 -42.994 -9.320 -10.994
307 1HG GLU 41 2HG GLU 41 -42.586 -6.363 -11.281
308 2HG GLU 41 1HG GLU 41 -43.372 -7.317 -12.535
309 H LYS 42 H LYS 42 -40.827 -9.882 -7.911
310 HA LYS 42 HA LYS 42 -43.499 -10.165 -6.743
311 1HB LYS 42 2HB LYS 42 -41.053 -11.848 -6.846
312 2HB LYS 42 1HB LYS 42 -41.922 -11.892 -5.323
313 1HG LYS 42 2HG LYS 42 -43.184 -13.501 -6.227
314 2HG LYS 42 1HG LYS 42 -43.931 -12.250 -7.212
315 1HD LYS 42 2HD LYS 42 -41.433 -13.712 -8.056
316 2HD LYS 42 1HD LYS 42 -43.055 -14.285 -8.437
317 1HE LYS 42 2HE LYS 42 -42.197 -11.497 -9.117
318 2HE LYS 42 1HE LYS 42 -41.824 -12.849 -10.180
319 1HZ LYS 42 2HZ LYS 42 -44.532 -12.983 -9.461
320 2HZ LYS 42 1HZ LYS 42 -44.206 -11.413 -10.000
321 3HZ LYS 42 3HZ LYS 42 -43.862 -12.738 -10.994
322 H ARG 43 H ARG 43 -41.025 -8.164 -6.545
323 HA ARG 43 HA ARG 43 -40.553 -6.514 -5.037
324 1HB ARG 43 2HB ARG 43 -42.931 -7.157 -4.151
325 2HB ARG 43 1HB ARG 43 -42.028 -7.933 -2.858
326 1HG ARG 43 2HG ARG 43 -40.924 -5.361 -3.118
327 2HG ARG 43 1HG ARG 43 -42.672 -5.146 -3.213
328 1HD ARG 43 2HD ARG 43 -41.767 -5.007 -0.908
329 2HD ARG 43 1HD ARG 43 -42.980 -6.268 -1.118
330 HE ARG 43 HE ARG 43 -41.139 -7.876 -1.183
331 1HH1 ARG 43 1HH2 ARG 43 -40.478 -4.718 0.164
332 2HH1 ARG 43 2HH2 ARG 43 -39.119 -5.263 1.086
333 1HH2 ARG 43 2HH1 ARG 43 -39.349 -8.585 0.021
334 2HH2 ARG 43 1HH1 ARG 43 -38.476 -7.458 1.003
335 H ASN 44 H ASN 44 -39.219 -9.211 -5.363
336 HA ASN 44 HA ASN 44 -37.873 -9.404 -2.790
337 1HB ASN 44 2HB ASN 44 -37.956 -11.172 -5.204
338 2HB ASN 44 1HB ASN 44 -36.623 -11.303 -4.061
339 1HD2 ASN 44 2HD2 ASN 44 -39.546 -13.567 -3.235
340 2HD2 ASN 44 1HD2 ASN 44 -38.764 -13.203 -4.732
341 H LEU 45 H LEU 45 -37.047 -7.298 -3.086
342 HA LEU 45 HA LEU 45 -34.882 -7.018 -5.007
343 1HB LEU 45 2HB LEU 45 -36.460 -5.220 -5.024
344 2HB LEU 45 1HB LEU 45 -36.383 -5.075 -3.277
345 HG LEU 45 HG LEU 45 -34.000 -4.316 -3.510
346 1HD1 LEU 45 3HD1 LEU 45 -33.665 -5.287 -5.782
347 2HD1 LEU 45 2HD1 LEU 45 -34.707 -4.019 -6.423
348 3HD1 LEU 45 1HD1 LEU 45 -33.186 -3.598 -5.638
349 1HD2 LEU 45 1HD2 LEU 45 -36.258 -2.750 -4.725
350 2HD2 LEU 45 3HD2 LEU 45 -35.641 -2.679 -3.075
351 3HD2 LEU 45 2HD2 LEU 45 -34.670 -2.057 -4.406
352 H GLN 46 H GLN 46 -32.807 -6.736 -4.564
353 HA GLN 46 HA GLN 46 -31.972 -6.555 -1.763
354 1HB GLN 46 2HB GLN 46 -31.158 -8.735 -3.682
355 2HB GLN 46 1HB GLN 46 -30.239 -8.351 -2.231
356 1HG GLN 46 2HG GLN 46 -32.355 -8.753 -0.925
357 2HG GLN 46 1HG GLN 46 -33.050 -9.394 -2.413
358 1HE2 GLN 46 2HE2 GLN 46 -30.302 -11.527 -0.301
359 2HE2 GLN 46 1HE2 GLN 46 -30.597 -9.858 0.034
360 H CYS 47 H CYS 47 -30.006 -5.595 -1.431
361 HA CYS 47 HA CYS 47 -28.906 -4.132 -3.713
362 1HB CYS 47 2HB CYS 47 -29.329 -3.570 -0.903
363 2HB CYS 47 1HB CYS 47 -27.663 -3.245 -1.357
364 H ILE 48 H ILE 48 -27.243 -5.145 -4.726
365 HA ILE 48 HA ILE 48 -25.503 -6.906 -3.197
366 HB ILE 48 HB ILE 48 -25.624 -6.298 -6.145
367 1HG1 ILE 48 2HG1 ILE 48 -27.311 -7.842 -4.931
368 2HG1 ILE 48 1HG1 ILE 48 -26.524 -8.451 -6.382
369 1HG2 ILE 48 3HG2 ILE 48 -23.620 -7.890 -4.570
370 2HG2 ILE 48 2HG2 ILE 48 -23.933 -8.209 -6.278
371 3HG2 ILE 48 1HG2 ILE 48 -23.329 -6.632 -5.772
372 1HD1 ILE 48 1HD1 ILE 48 -25.122 -9.049 -3.873
373 2HD1 ILE 48 3HD1 ILE 48 -26.705 -9.803 -4.055
374 3HD1 ILE 48 2HD1 ILE 48 -25.455 -10.076 -5.268
375 H CYS 49 H CYS 49 -23.866 -6.063 -2.098
376 HA CYS 49 HA CYS 49 -22.496 -3.694 -3.177
377 1HB CYS 49 2HB CYS 49 -22.538 -4.772 -0.356
378 2HB CYS 49 1HB CYS 49 -21.667 -3.333 -0.883
379 H ASP 50 H ASP 50 -20.873 -4.321 -4.432
380 HA ASP 50 HA ASP 50 -19.165 -6.544 -3.586
381 1HB ASP 50 2HB ASP 50 -19.880 -6.672 -5.895
382 2HB ASP 50 1HB ASP 50 -19.337 -5.025 -6.199
383 H TYR 51 H TYR 51 -17.128 -6.320 -2.972
384 HA TYR 51 HA TYR 51 -16.162 -3.586 -2.534
385 1HB TYR 51 2HB TYR 51 -15.436 -6.220 -1.268
386 2HB TYR 51 1HB TYR 51 -14.647 -4.695 -0.874
387 HD1 TYR 51 HD1 TYR 51 -18.115 -6.082 -1.145
388 HD2 TYR 51 HD2 TYR 51 -15.408 -3.611 1.018
389 HE1 TYR 51 HE1 TYR 51 -19.866 -5.634 0.519
390 HE2 TYR 51 HE2 TYR 51 -17.151 -3.160 2.693
391 HH TYR 51 HH TYR 51 -19.676 -4.867 3.230
392 H CYS 52 H CYS 52 -15.444 -6.493 -4.264
393 HA CYS 52 HA CYS 52 -13.098 -5.177 -5.434
394 1HB CYS 52 2HB CYS 52 -12.544 -7.994 -5.314
395 2HB CYS 52 1HB CYS 52 -11.643 -6.669 -4.587
396 H GLU 53 H GLU 53 -14.274 -8.460 -5.847
397 HA GLU 53 HA GLU 53 -15.916 -9.081 -7.521
398 1HB GLU 53 2HB GLU 53 -15.861 -8.191 -9.741
399 2HB GLU 53 1HB GLU 53 -15.921 -6.837 -8.631
400 1HG GLU 53 2HG GLU 53 -14.239 -6.017 -9.886
401 2HG GLU 53 1HG GLU 53 -13.226 -7.141 -8.979
402 H TYR 54 HN TYR 54 -13.312 -9.901 -6.458
403 HA TYR 54 HA TYR 54 -11.418 -10.788 -8.137
404 1HB TYR 54 2HB TYR 54 -12.527 -11.722 -5.632
405 2HB TYR 54 1HB TYR 54 -11.995 -13.088 -6.606
406 HD1 TYR 54 HD2 TYR 54 -10.744 -9.683 -5.664
407 HD2 TYR 54 HD1 TYR 54 -9.839 -13.797 -6.267
408 HE1 TYR 54 HE2 TYR 54 -8.424 -9.270 -4.961
409 HE2 TYR 54 HE1 TYR 54 -7.517 -13.394 -5.563
410 HH TYR 54 HH TYR 54 -6.352 -11.576 -4.020
No H/Q in entry = 410
Start of MODEL 41
1 HN PCA 1 HN PCA 1 -10.788 -16.283 3.398
2 HA PCA 1 HA PCA 1 -10.833 -16.307 0.851
3 1HB PCA 1 1HB PCA 1 -10.800 -18.365 -0.088
4 2HB PCA 1 2HB PCA 1 -12.417 -18.706 0.569
5 1HG PCA 1 1HG PCA 1 -9.856 -19.665 1.518
6 2HG PCA 1 2HG PCA 1 -11.465 -20.019 2.176
7 H ASP 2 H ASP 2 -12.223 -14.605 0.992
8 HA ASP 2 HA ASP 2 -15.005 -15.111 1.786
9 1HB ASP 2 2HB ASP 2 -13.585 -13.201 2.771
10 2HB ASP 2 1HB ASP 2 -13.811 -12.406 1.215
11 H LYS 3 H LYS 3 -16.649 -13.771 0.532
12 HA LYS 3 HA LYS 3 -16.385 -14.466 -2.265
13 1HB LYS 3 2HB LYS 3 -18.536 -14.088 -0.407
14 2HB LYS 3 1HB LYS 3 -18.807 -13.032 -1.785
15 1HG LYS 3 2HG LYS 3 -18.138 -15.928 -2.162
16 2HG LYS 3 1HG LYS 3 -19.789 -15.398 -1.835
17 1HD LYS 3 2HD LYS 3 -19.563 -13.832 -3.788
18 2HD LYS 3 1HD LYS 3 -18.035 -14.631 -4.162
19 1HE LYS 3 2HE LYS 3 -20.645 -16.105 -3.893
20 2HE LYS 3 1HE LYS 3 -20.054 -15.465 -5.426
21 1HZ LYS 3 2HZ LYS 3 -17.934 -16.857 -4.443
22 2HZ LYS 3 1HZ LYS 3 -19.254 -17.820 -4.006
23 3HZ LYS 3 3HZ LYS 3 -19.009 -17.404 -5.628
24 H CYS 4 H CYS 4 -17.842 -12.578 -3.541
25 HA CYS 4 HA CYS 4 -16.144 -10.172 -3.342
26 1HB CYS 4 2HB CYS 4 -17.030 -11.853 -5.607
27 2HB CYS 4 1HB CYS 4 -17.048 -10.112 -5.899
28 H LYS 5 H LYS 5 -19.369 -11.374 -4.220
29 HA LYS 5 HA LYS 5 -20.465 -8.673 -3.945
30 1HB LYS 5 2HB LYS 5 -22.425 -9.488 -5.036
31 2HB LYS 5 1HB LYS 5 -21.039 -10.082 -5.934
32 1HG LYS 5 2HG LYS 5 -22.258 -12.001 -5.858
33 2HG LYS 5 1HG LYS 5 -21.354 -12.181 -4.355
34 1HD LYS 5 2HD LYS 5 -23.201 -11.607 -3.039
35 2HD LYS 5 1HD LYS 5 -24.049 -10.850 -4.387
36 1HE LYS 5 2HE LYS 5 -24.997 -13.039 -3.716
37 2HE LYS 5 1HE LYS 5 -24.470 -12.979 -5.397
38 1HZ LYS 5 1HZ LYS 5 -22.872 -14.133 -3.176
39 2HZ LYS 5 3HZ LYS 5 -23.820 -15.037 -4.247
40 3HZ LYS 5 2HZ LYS 5 -22.486 -14.170 -4.823
41 H LYS 6 H LYS 6 -22.103 -8.168 -2.478
42 HA LYS 6 HA LYS 6 -22.992 -10.204 -0.609
43 1HB LYS 6 2HB LYS 6 -21.564 -7.738 0.395
44 2HB LYS 6 1HB LYS 6 -22.243 -9.031 1.373
45 1HG LYS 6 2HG LYS 6 -20.620 -10.593 0.296
46 2HG LYS 6 1HG LYS 6 -19.877 -9.192 -0.478
47 1HD LYS 6 2HD LYS 6 -18.553 -9.279 1.372
48 2HD LYS 6 1HD LYS 6 -19.868 -8.320 2.052
49 1HE LYS 6 2HE LYS 6 -19.654 -11.322 2.248
50 2HE LYS 6 1HE LYS 6 -19.136 -10.199 3.506
51 1HZ LYS 6 3HZ LYS 6 -21.908 -10.395 2.456
52 2HZ LYS 6 2HZ LYS 6 -21.368 -11.112 3.890
53 3HZ LYS 6 1HZ LYS 6 -21.384 -9.427 3.743
54 H VAL 7 H VAL 7 -25.079 -9.936 -0.311
55 HA VAL 7 HA VAL 7 -26.496 -7.655 -1.198
56 HB VAL 7 HB VAL 7 -28.433 -8.776 -0.679
57 1HG1 VAL 7 3HG1 VAL 7 -26.734 -10.207 -1.989
58 2HG1 VAL 7 2HG1 VAL 7 -26.664 -11.181 -0.520
59 3HG1 VAL 7 1HG1 VAL 7 -28.196 -10.975 -1.369
60 1HG2 VAL 7 2HG2 VAL 7 -26.968 -9.817 1.721
61 2HG2 VAL 7 1HG2 VAL 7 -28.466 -8.888 1.646
62 3HG2 VAL 7 3HG2 VAL 7 -28.457 -10.585 1.169
63 H TYR 8 H TYR 8 -27.691 -6.126 0.015
64 HA TYR 8 HA TYR 8 -26.366 -5.351 2.473
65 1HB TYR 8 2HB TYR 8 -27.250 -3.817 0.514
66 2HB TYR 8 1HB TYR 8 -28.766 -3.915 1.403
67 HD1 TYR 8 HD2 TYR 8 -28.076 -3.744 4.166
68 HD2 TYR 8 HD1 TYR 8 -26.249 -1.770 0.870
69 HE1 TYR 8 HE2 TYR 8 -27.311 -1.959 5.670
70 HE2 TYR 8 HE1 TYR 8 -25.476 0.020 2.367
71 HH TYR 8 HH TYR 8 -26.175 -0.064 5.850
72 H GLU 9 H GLU 9 -27.041 -7.159 3.755
73 HA GLU 9 HA GLU 9 -29.717 -7.870 4.183
74 1HB GLU 9 2HB GLU 9 -28.841 -8.813 6.369
75 2HB GLU 9 1HB GLU 9 -28.081 -9.409 4.902
76 1HG GLU 9 2HG GLU 9 -26.217 -7.847 5.259
77 2HG GLU 9 1HG GLU 9 -26.971 -7.320 6.762
78 H ASN 10 H ASN 10 -30.531 -5.649 4.205
79 HA ASN 10 HA ASN 10 -32.001 -4.637 5.933
80 1HB ASN 10 2HB ASN 10 -30.659 -5.161 7.883
81 2HB ASN 10 1HB ASN 10 -29.327 -4.173 7.277
82 1HD2 ASN 10 2HD2 ASN 10 -30.446 -1.440 9.021
83 2HD2 ASN 10 1HD2 ASN 10 -29.148 -2.440 8.474
84 H TYR 11 H TYR 11 -32.608 -3.202 4.424
85 HA TYR 11 HA TYR 11 -31.530 -0.627 4.383
86 1HB TYR 11 2HB TYR 11 -29.681 -1.686 3.120
87 2HB TYR 11 1HB TYR 11 -30.840 -2.248 1.922
88 HD1 TYR 11 HD2 TYR 11 -29.254 0.758 3.372
89 HD2 TYR 11 HD1 TYR 11 -31.617 -0.808 0.199
90 HE1 TYR 11 HE2 TYR 11 -28.979 2.867 2.136
91 HE2 TYR 11 HE1 TYR 11 -31.350 1.295 -1.047
92 HH TYR 11 HH TYR 11 -29.228 3.326 -0.801
93 HA PRO 12 HA PRO 12 -35.629 -0.366 2.590
94 1HB PRO 12 2HB PRO 12 -35.910 2.290 2.497
95 2HB PRO 12 1HB PRO 12 -35.856 1.430 4.042
96 1HG PRO 12 2HG PRO 12 -33.675 2.930 2.636
97 2HG PRO 12 1HG PRO 12 -34.133 2.973 4.349
98 1HD PRO 12 2HD PRO 12 -32.058 1.477 3.377
99 2HD PRO 12 1HD PRO 12 -32.982 1.052 4.832
100 H VAL 13 H VAL 13 -36.069 -0.775 0.523
101 HA VAL 13 HA VAL 13 -34.427 -0.098 -1.650
102 HB VAL 13 HB VAL 13 -37.357 -0.651 -1.988
103 1HG1 VAL 13 3HG1 VAL 13 -35.788 -0.194 -3.920
104 2HG1 VAL 13 2HG1 VAL 13 -35.004 -1.724 -3.524
105 3HG1 VAL 13 1HG1 VAL 13 -36.702 -1.700 -4.002
106 1HG2 VAL 13 3HG2 VAL 13 -35.263 -2.471 -0.892
107 2HG2 VAL 13 2HG2 VAL 13 -36.966 -2.323 -0.457
108 3HG2 VAL 13 1HG2 VAL 13 -36.506 -3.130 -1.956
109 H SER 14 H SER 14 -34.821 2.277 -0.289
110 HA SER 14 HA SER 14 -36.868 3.917 -1.286
111 1HB SER 14 2HB SER 14 -35.257 5.800 -0.630
112 2HB SER 14 1HB SER 14 -35.738 4.682 0.646
113 HG SER 14 HG SER 14 -33.682 4.385 0.905
114 H LYS 15 H LYS 15 -33.964 5.478 -1.921
115 HA LYS 15 HA LYS 15 -34.630 5.979 -4.625
116 1HB LYS 15 2HB LYS 15 -32.065 6.495 -3.111
117 2HB LYS 15 1HB LYS 15 -32.419 7.117 -4.718
118 1HG LYS 15 2HG LYS 15 -34.588 8.012 -3.424
119 2HG LYS 15 1HG LYS 15 -33.447 7.972 -2.079
120 1HD LYS 15 2HD LYS 15 -31.915 9.406 -3.276
121 2HD LYS 15 1HD LYS 15 -32.933 9.349 -4.716
122 1HE LYS 15 2HE LYS 15 -34.319 10.254 -2.284
123 2HE LYS 15 1HE LYS 15 -33.019 11.317 -2.822
124 1HZ LYS 15 3HZ LYS 15 -34.967 10.349 -4.794
125 2HZ LYS 15 2HZ LYS 15 -35.419 11.596 -3.744
126 3HZ LYS 15 1HZ LYS 15 -34.087 11.795 -4.769
127 H CYS 16 H CYS 16 -34.106 3.118 -3.824
128 HA CYS 16 HA CYS 16 -31.717 2.267 -5.069
129 1HB CYS 16 2HB CYS 16 -33.856 1.052 -3.661
130 2HB CYS 16 1HB CYS 16 -33.735 0.211 -5.201
131 H GLN 17 H GLN 17 -34.841 3.122 -6.280
132 HA GLN 17 HA GLN 17 -34.723 1.761 -8.758
133 1HB GLN 17 2HB GLN 17 -36.227 4.256 -7.951
134 2HB GLN 17 1HB GLN 17 -36.483 3.381 -9.455
135 1HG GLN 17 2HG GLN 17 -37.204 1.425 -8.229
136 2HG GLN 17 1HG GLN 17 -36.869 2.235 -6.699
137 1HE2 GLN 17 2HE2 GLN 17 -39.875 3.961 -6.586
138 2HE2 GLN 17 1HE2 GLN 17 -38.335 3.638 -5.872
139 H LEU 18 H LEU 18 -32.476 3.687 -7.754
140 HA LEU 18 HA LEU 18 -31.652 4.517 -10.373
141 1HB LEU 18 2HB LEU 18 -32.574 6.538 -8.351
142 2HB LEU 18 1HB LEU 18 -31.320 6.950 -9.500
143 HG LEU 18 HG LEU 18 -34.186 6.228 -10.114
144 1HD1 LEU 18 2HD1 LEU 18 -33.489 8.550 -9.291
145 2HD1 LEU 18 1HD1 LEU 18 -32.722 8.724 -10.869
146 3HD1 LEU 18 3HD1 LEU 18 -34.459 8.438 -10.760
147 1HD2 LEU 18 2HD2 LEU 18 -31.787 6.414 -11.892
148 2HD2 LEU 18 1HD2 LEU 18 -33.116 5.256 -11.926
149 3HD2 LEU 18 3HD2 LEU 18 -33.371 6.905 -12.492
150 H ALA 19 H ALA 19 -29.529 4.224 -10.441
151 HA ALA 19 HA ALA 19 -27.963 3.467 -8.273
152 1HB ALA 19 2HB ALA 19 -27.382 2.988 -10.605
153 2HB ALA 19 1HB ALA 19 -27.030 4.697 -10.860
154 3HB ALA 19 3HB ALA 19 -26.046 3.753 -9.743
155 H ASN 20 H ASN 20 -27.640 4.710 -6.525
156 HA ASN 20 HA ASN 20 -26.015 7.004 -6.662
157 1HB ASN 20 2HB ASN 20 -28.121 8.003 -7.521
158 2HB ASN 20 1HB ASN 20 -28.911 7.576 -6.008
159 1HD2 ASN 20 2HD2 ASN 20 -26.011 9.930 -4.779
160 2HD2 ASN 20 1HD2 ASN 20 -25.872 8.244 -5.131
161 H GLN 21 H GLN 21 -28.728 6.845 -4.442
162 HA GLN 21 HA GLN 21 -27.339 7.090 -2.115
163 1HB GLN 21 2HB GLN 21 -29.893 6.998 -2.570
164 2HB GLN 21 1HB GLN 21 -29.731 5.278 -2.241
165 1HG GLN 21 2HG GLN 21 -30.074 5.821 -0.095
166 2HG GLN 21 1HG GLN 21 -28.416 6.417 -0.112
167 1HE2 GLN 21 2HE2 GLN 21 -29.354 9.843 -0.252
168 2HE2 GLN 21 1HE2 GLN 21 -28.160 8.715 -0.788
169 H CYS 22 H CYS 22 -28.601 3.949 -3.237
170 HA CYS 22 HA CYS 22 -27.217 2.369 -1.421
171 1HB CYS 22 2HB CYS 22 -29.107 1.637 -2.888
172 2HB CYS 22 1HB CYS 22 -27.978 1.580 -4.238
173 H ASN 23 H ASN 23 -26.335 3.088 -4.798
174 HA ASN 23 HA ASN 23 -23.953 1.705 -4.929
175 1HB ASN 23 2HB ASN 23 -25.177 2.999 -6.772
176 2HB ASN 23 1HB ASN 23 -24.313 4.419 -6.190
177 1HD2 ASN 23 2HD2 ASN 23 -22.466 2.753 -8.977
178 2HD2 ASN 23 1HD2 ASN 23 -24.099 3.279 -8.772
179 H TYR 24 H TYR 24 -24.014 5.244 -4.552
180 HA TYR 24 HA TYR 24 -21.432 5.589 -3.709
181 1HB TYR 24 2HB TYR 24 -22.201 7.696 -3.869
182 2HB TYR 24 1HB TYR 24 -23.864 7.154 -3.698
183 HD1 TYR 24 HD1 TYR 24 -20.909 7.355 -1.427
184 HD2 TYR 24 HD2 TYR 24 -25.003 8.314 -2.071
185 HE1 TYR 24 HE1 TYR 24 -21.003 8.403 0.787
186 HE2 TYR 24 HE2 TYR 24 -25.110 9.372 0.147
187 HH TYR 24 HH TYR 24 -23.380 10.463 1.754
188 H ASP 25 H ASP 25 -24.251 4.880 -1.668
189 HA ASP 25 HA ASP 25 -23.019 5.086 0.811
190 1HB ASP 25 2HB ASP 25 -25.293 3.349 -0.134
191 2HB ASP 25 1HB ASP 25 -24.766 3.374 1.546
192 H CYS 26 H CYS 26 -23.800 1.896 -0.587
193 HA CYS 26 HA CYS 26 -22.045 0.486 1.015
194 1HB CYS 26 2HB CYS 26 -23.600 -0.061 -1.368
195 2HB CYS 26 1HB CYS 26 -22.064 -0.923 -1.413
196 H LYS 27 H LYS 27 -21.431 2.238 -1.954
197 HA LYS 27 HA LYS 27 -18.882 1.251 -2.538
198 1HB LYS 27 2HB LYS 27 -20.223 2.679 -4.053
199 2HB LYS 27 1HB LYS 27 -19.900 4.055 -3.007
200 1HG LYS 27 2HG LYS 27 -17.809 4.340 -3.808
201 2HG LYS 27 1HG LYS 27 -17.506 2.605 -3.906
202 1HD LYS 27 2HD LYS 27 -18.695 2.450 -5.982
203 2HD LYS 27 1HD LYS 27 -19.250 4.119 -5.848
204 1HE LYS 27 2HE LYS 27 -17.255 4.976 -6.530
205 2HE LYS 27 1HE LYS 27 -16.321 3.682 -5.781
206 1HZ LYS 27 1HZ LYS 27 -17.312 2.235 -7.624
207 2HZ LYS 27 3HZ LYS 27 -17.678 3.695 -8.400
208 3HZ LYS 27 2HZ LYS 27 -16.072 3.309 -8.039
209 H LEU 28 H LEU 28 -19.765 2.610 0.309
210 HA LEU 28 HA LEU 28 -17.033 3.108 1.047
211 1HB LEU 28 2HB LEU 28 -17.459 5.235 0.030
212 2HB LEU 28 1HB LEU 28 -18.974 5.405 0.896
213 HG LEU 28 HG LEU 28 -17.690 5.527 3.028
214 1HD1 LEU 28 3HD1 LEU 28 -15.374 5.375 1.125
215 2HD1 LEU 28 2HD1 LEU 28 -15.230 6.109 2.721
216 3HD1 LEU 28 1HD1 LEU 28 -15.681 4.411 2.569
217 1HD2 LEU 28 2HD2 LEU 28 -17.305 7.521 0.831
218 2HD2 LEU 28 1HD2 LEU 28 -18.349 7.610 2.249
219 3HD2 LEU 28 3HD2 LEU 28 -16.603 7.797 2.425
220 H ASP 29 H ASP 29 -20.433 3.075 1.871
221 HA ASP 29 HA ASP 29 -20.079 3.373 4.679
222 1HB ASP 29 2HB ASP 29 -22.322 2.545 2.892
223 2HB ASP 29 1HB ASP 29 -22.440 2.154 4.605
224 H LYS 30 H LYS 30 -20.580 0.541 2.586
225 HA LYS 30 HA LYS 30 -19.891 -1.220 4.832
226 1HB LYS 30 2HB LYS 30 -21.307 -1.612 2.221
227 2HB LYS 30 1HB LYS 30 -20.570 -2.992 3.019
228 1HG LYS 30 2HG LYS 30 -22.532 -1.172 4.385
229 2HG LYS 30 1HG LYS 30 -23.014 -2.611 3.485
230 1HD LYS 30 2HD LYS 30 -21.275 -3.815 5.009
231 2HD LYS 30 1HD LYS 30 -21.473 -2.398 6.043
232 1HE LYS 30 2HE LYS 30 -23.585 -4.358 5.166
233 2HE LYS 30 1HE LYS 30 -23.001 -4.062 6.804
234 1HZ LYS 30 1HZ LYS 30 -23.846 -1.636 6.159
235 2HZ LYS 30 3HZ LYS 30 -24.904 -2.550 5.206
236 3HZ LYS 30 2HZ LYS 30 -24.847 -2.794 6.878
237 H HIS 31 H HIS 31 -18.051 0.465 3.033
238 HA HIS 31 HA HIS 31 -15.999 0.287 2.068
239 1HB HIS 31 2HB HIS 31 -15.626 -2.429 3.270
240 2HB HIS 31 1HB HIS 31 -14.481 -1.099 3.138
241 HD1 HIS 31 HD1 HIS 31 -15.574 -2.826 5.742
242 HD2 HIS 31 HD2 HIS 31 -16.225 1.163 4.781
243 HE1 HIS 31 HE1 HIS 31 -16.112 -1.690 7.920
244 HE2 HIS 31 HE2 HIS 31 -16.578 0.707 7.303
245 H ALA 32 H ALA 32 -18.047 -0.439 0.394
246 HA ALA 32 HA ALA 32 -17.376 -2.961 -0.880
247 1HB ALA 32 1HB ALA 32 -19.739 -1.976 -0.594
248 2HB ALA 32 3HB ALA 32 -19.323 -0.963 -1.977
249 3HB ALA 32 2HB ALA 32 -19.322 -2.719 -2.138
250 H ARG 33 H ARG 33 -17.944 -2.226 -3.547
251 HA ARG 33 HA ARG 33 -15.802 -0.378 -4.289
252 1HB ARG 33 2HB ARG 33 -14.970 -2.767 -4.255
253 2HB ARG 33 1HB ARG 33 -16.119 -3.109 -5.541
254 1HG ARG 33 2HG ARG 33 -14.995 -1.740 -7.063
255 2HG ARG 33 1HG ARG 33 -14.076 -0.937 -5.792
256 1HD ARG 33 2HD ARG 33 -13.759 -3.759 -6.795
257 2HD ARG 33 1HD ARG 33 -12.595 -2.439 -6.904
258 HE ARG 33 HE ARG 33 -12.999 -4.189 -4.689
259 1HH1 ARG 33 1HH2 ARG 33 -12.075 -0.948 -5.569
260 2HH1 ARG 33 2HH2 ARG 33 -11.125 -0.692 -4.143
261 1HH2 ARG 33 2HH1 ARG 33 -11.757 -3.861 -2.804
262 2HH2 ARG 33 1HH1 ARG 33 -10.948 -2.348 -2.568
263 H SER 34 H SER 34 -18.763 -2.031 -4.991
264 HA SER 34 HA SER 34 -19.820 0.008 -6.582
265 1HB SER 34 2HB SER 34 -19.519 -0.624 -8.769
266 2HB SER 34 1HB SER 34 -18.014 -1.261 -8.106
267 HG SER 34 HG SER 34 -20.401 -2.776 -8.331
268 H GLY 35 H GLY 35 -21.927 -0.171 -6.149
269 1HA GLY 35 2HA GLY 35 -23.050 -2.896 -5.836
270 2HA GLY 35 1HA GLY 35 -23.552 -1.523 -4.864
271 H GLU 36 H GLU 36 -25.556 -2.727 -5.849
272 HA GLU 36 HA GLU 36 -26.884 -0.910 -7.501
273 1HB GLU 36 2HB GLU 36 -25.339 -2.944 -8.902
274 2HB GLU 36 1HB GLU 36 -27.045 -3.049 -9.307
275 1HG GLU 36 2HG GLU 36 -25.761 -0.370 -9.380
276 2HG GLU 36 1HG GLU 36 -25.382 -1.518 -10.663
277 H CYS 37 H CYS 37 -29.095 -1.363 -7.605
278 HA CYS 37 HA CYS 37 -29.952 -3.458 -5.795
279 1HB CYS 37 2HB CYS 37 -31.795 -1.545 -7.192
280 2HB CYS 37 1HB CYS 37 -31.997 -2.325 -5.625
281 H PHE 38 H PHE 38 -30.917 -5.308 -6.333
282 HA PHE 38 HA PHE 38 -32.087 -5.614 -8.991
283 1HB PHE 38 2HB PHE 38 -29.803 -7.309 -7.969
284 2HB PHE 38 1HB PHE 38 -30.837 -7.785 -9.308
285 HD1 PHE 38 HD1 PHE 38 -31.105 -5.764 -11.106
286 HD2 PHE 38 HD2 PHE 38 -27.770 -6.448 -8.554
287 HE1 PHE 38 HE1 PHE 38 -29.657 -4.543 -12.676
288 HE2 PHE 38 HE2 PHE 38 -26.318 -5.226 -10.116
289 HZ PHE 38 HZ PHE 38 -27.261 -4.271 -12.182
290 H TYR 39 H TYR 39 -33.037 -7.886 -9.217
291 HA TYR 39 HA TYR 39 -34.627 -8.396 -6.847
292 1HB TYR 39 2HB TYR 39 -34.761 -9.576 -9.626
293 2HB TYR 39 1HB TYR 39 -35.906 -9.914 -8.332
294 HD1 TYR 39 HD1 TYR 39 -34.654 -7.310 -10.620
295 HD2 TYR 39 HD2 TYR 39 -37.639 -8.363 -7.779
296 HE1 TYR 39 HE1 TYR 39 -35.975 -5.346 -11.290
297 HE2 TYR 39 HE2 TYR 39 -38.970 -6.404 -8.441
298 HH TYR 39 HH TYR 39 -39.060 -4.942 -10.783
299 H ASP 40 H ASP 40 -34.462 -10.146 -5.537
300 HA ASP 40 HA ASP 40 -32.758 -12.377 -6.337
301 1HB ASP 40 2HB ASP 40 -31.746 -12.254 -3.968
302 2HB ASP 40 1HB ASP 40 -31.120 -11.174 -5.211
303 H GLU 41 H GLU 41 -33.874 -11.563 -3.182
304 HA GLU 41 HA GLU 41 -34.820 -14.114 -2.690
305 1HB GLU 41 2HB GLU 41 -34.614 -11.661 -1.244
306 2HB GLU 41 1HB GLU 41 -36.228 -12.299 -0.975
307 1HG GLU 41 2HG GLU 41 -34.882 -13.144 0.753
308 2HG GLU 41 1HG GLU 41 -35.145 -14.483 -0.362
309 H LYS 42 H LYS 42 -35.985 -14.354 -4.757
310 HA LYS 42 HA LYS 42 -37.877 -14.584 -5.980
311 1HB LYS 42 2HB LYS 42 -38.586 -14.983 -3.181
312 2HB LYS 42 1HB LYS 42 -39.969 -14.476 -4.141
313 1HG LYS 42 2HG LYS 42 -39.876 -16.870 -4.084
314 2HG LYS 42 1HG LYS 42 -39.505 -16.317 -5.718
315 1HD LYS 42 2HD LYS 42 -37.041 -16.471 -4.982
316 2HD LYS 42 1HD LYS 42 -37.652 -17.447 -3.645
317 1HE LYS 42 2HE LYS 42 -38.776 -18.904 -5.348
318 2HE LYS 42 1HE LYS 42 -37.915 -18.004 -6.595
319 1HZ LYS 42 3HZ LYS 42 -36.243 -19.023 -4.468
320 2HZ LYS 42 2HZ LYS 42 -36.986 -20.220 -5.404
321 3HZ LYS 42 1HZ LYS 42 -36.006 -19.057 -6.144
322 H ARG 43 H ARG 43 -37.667 -12.597 -7.067
323 HA ARG 43 HA ARG 43 -38.373 -10.588 -7.852
324 1HB ARG 43 2HB ARG 43 -40.914 -10.859 -6.295
325 2HB ARG 43 1HB ARG 43 -40.665 -10.225 -7.916
326 1HG ARG 43 2HG ARG 43 -40.476 -13.127 -7.126
327 2HG ARG 43 1HG ARG 43 -41.845 -12.364 -7.932
328 1HD ARG 43 2HD ARG 43 -40.687 -13.331 -9.690
329 2HD ARG 43 1HD ARG 43 -40.113 -11.666 -9.714
330 HE ARG 43 HE ARG 43 -38.161 -12.590 -8.377
331 1HH1 ARG 43 1HH2 ARG 43 -39.927 -14.495 -10.710
332 2HH1 ARG 43 2HH2 ARG 43 -38.581 -15.519 -11.078
333 1HH2 ARG 43 2HH1 ARG 43 -36.390 -13.934 -8.863
334 2HH2 ARG 43 1HH1 ARG 43 -36.571 -15.198 -10.032
335 H ASN 44 H ASN 44 -37.194 -10.834 -5.028
336 HA ASN 44 HA ASN 44 -38.240 -8.386 -3.812
337 1HB ASN 44 2HB ASN 44 -36.417 -10.582 -2.879
338 2HB ASN 44 1HB ASN 44 -36.416 -9.026 -2.053
339 1HD2 ASN 44 2HD2 ASN 44 -39.947 -11.104 -2.035
340 2HD2 ASN 44 1HD2 ASN 44 -38.988 -11.022 -3.469
341 H LEU 45 H LEU 45 -37.393 -6.504 -4.438
342 HA LEU 45 HA LEU 45 -34.846 -6.406 -5.788
343 1HB LEU 45 2HB LEU 45 -36.762 -5.075 -6.553
344 2HB LEU 45 1HB LEU 45 -36.745 -4.187 -5.040
345 HG LEU 45 HG LEU 45 -34.640 -3.165 -5.575
346 1HD1 LEU 45 1HD1 LEU 45 -34.582 -5.205 -7.754
347 2HD1 LEU 45 3HD1 LEU 45 -33.721 -3.679 -7.953
348 3HD1 LEU 45 2HD1 LEU 45 -33.321 -4.748 -6.608
349 1HD2 LEU 45 1HD2 LEU 45 -36.679 -2.187 -6.568
350 2HD2 LEU 45 3HD2 LEU 45 -35.234 -1.884 -7.531
351 3HD2 LEU 45 2HD2 LEU 45 -36.384 -3.123 -8.033
352 H GLN 46 H GLN 46 -33.266 -6.865 -4.303
353 HA GLN 46 HA GLN 46 -33.044 -5.129 -1.944
354 1HB GLN 46 2HB GLN 46 -31.886 -7.799 -2.664
355 2HB GLN 46 1HB GLN 46 -31.118 -6.808 -1.432
356 1HG GLN 46 2HG GLN 46 -33.984 -7.727 -1.386
357 2HG GLN 46 1HG GLN 46 -32.658 -8.466 -0.490
358 1HE2 GLN 46 2HE2 GLN 46 -32.779 -6.218 2.138
359 2HE2 GLN 46 1HE2 GLN 46 -32.087 -7.635 1.432
360 H CYS 47 H CYS 47 -30.530 -4.900 -1.364
361 HA CYS 47 HA CYS 47 -29.339 -3.487 -3.647
362 1HB CYS 47 2HB CYS 47 -29.589 -2.909 -0.799
363 2HB CYS 47 1HB CYS 47 -27.942 -2.694 -1.382
364 H ILE 48 H ILE 48 -27.984 -4.818 -4.689
365 HA ILE 48 HA ILE 48 -26.271 -6.655 -3.221
366 HB ILE 48 HB ILE 48 -26.487 -6.185 -6.202
367 1HG1 ILE 48 2HG1 ILE 48 -27.799 -8.279 -6.218
368 2HG1 ILE 48 1HG1 ILE 48 -27.709 -8.346 -4.463
369 1HG2 ILE 48 1HG2 ILE 48 -24.417 -7.419 -4.898
370 2HG2 ILE 48 3HG2 ILE 48 -25.489 -8.777 -5.226
371 3HG2 ILE 48 2HG2 ILE 48 -24.915 -7.767 -6.550
372 1HD1 ILE 48 2HD1 ILE 48 -28.861 -5.918 -5.727
373 2HD1 ILE 48 1HD1 ILE 48 -29.817 -7.398 -5.695
374 3HD1 ILE 48 3HD1 ILE 48 -29.246 -6.688 -4.187
375 H CYS 49 H CYS 49 -24.483 -5.809 -2.332
376 HA CYS 49 HA CYS 49 -23.104 -3.604 -3.687
377 1HB CYS 49 2HB CYS 49 -22.531 -4.748 -0.952
378 2HB CYS 49 1HB CYS 49 -21.978 -3.207 -1.605
379 H ASP 50 H ASP 50 -21.433 -4.018 -4.968
380 HA ASP 50 HA ASP 50 -20.048 -6.586 -4.740
381 1HB ASP 50 2HB ASP 50 -20.935 -5.319 -6.952
382 2HB ASP 50 1HB ASP 50 -19.294 -4.684 -6.895
383 H TYR 51 H TYR 51 -17.986 -6.829 -4.212
384 HA TYR 51 HA TYR 51 -16.558 -4.459 -3.221
385 1HB TYR 51 2HB TYR 51 -16.378 -7.395 -2.581
386 2HB TYR 51 1HB TYR 51 -15.170 -6.239 -2.031
387 HD1 TYR 51 HD1 TYR 51 -18.913 -6.406 -2.118
388 HD2 TYR 51 HD2 TYR 51 -15.415 -5.627 0.175
389 HE1 TYR 51 HE1 TYR 51 -20.315 -5.902 -0.165
390 HE2 TYR 51 HE2 TYR 51 -16.809 -5.123 2.139
391 HH TYR 51 HH TYR 51 -20.357 -5.236 1.951
392 H CYS 52 H CYS 52 -16.566 -6.835 -5.662
393 HA CYS 52 HA CYS 52 -13.778 -6.225 -6.395
394 1HB CYS 52 2HB CYS 52 -15.425 -8.603 -7.272
395 2HB CYS 52 1HB CYS 52 -13.698 -8.357 -7.509
396 H GLU 53 H GLU 53 -15.324 -7.854 -8.819
397 HA GLU 53 HA GLU 53 -16.918 -6.113 -10.195
398 1HB GLU 53 2HB GLU 53 -15.217 -5.173 -11.869
399 2HB GLU 53 1HB GLU 53 -15.338 -4.382 -10.309
400 1HG GLU 53 2HG GLU 53 -13.379 -6.097 -9.733
401 2HG GLU 53 1HG GLU 53 -13.126 -5.971 -11.470
402 H TYR 54 HN TYR 54 -13.894 -7.837 -10.978
403 HA TYR 54 HA TYR 54 -15.433 -9.770 -12.535
404 1HB TYR 54 2HB TYR 54 -13.419 -7.863 -13.634
405 2HB TYR 54 1HB TYR 54 -13.439 -9.501 -14.281
406 HD1 TYR 54 HD1 TYR 54 -15.612 -6.545 -13.678
407 HD2 TYR 54 HD2 TYR 54 -14.996 -10.113 -15.911
408 HE1 TYR 54 HE1 TYR 54 -17.485 -5.940 -15.150
409 HE2 TYR 54 HE2 TYR 54 -16.867 -9.517 -17.390
410 HH TYR 54 HH TYR 54 -19.162 -7.660 -16.795
No H/Q in entry = 410
Start of MODEL 42
1 HN PCA 1 HN PCA 1 -9.829 -15.346 -2.723
2 HA PCA 1 HA PCA 1 -11.407 -13.409 -2.310
3 1HB PCA 1 1HB PCA 1 -11.198 -11.730 -3.812
4 2HB PCA 1 2HB PCA 1 -12.008 -12.743 -5.030
5 1HG PCA 1 1HG PCA 1 -9.228 -12.045 -4.899
6 2HG PCA 1 2HG PCA 1 -10.002 -13.166 -6.035
7 H ASP 2 H ASP 2 -13.065 -14.654 -1.699
8 HA ASP 2 HA ASP 2 -14.188 -16.645 -3.474
9 1HB ASP 2 2HB ASP 2 -14.669 -15.870 -0.609
10 2HB ASP 2 1HB ASP 2 -15.785 -16.941 -1.450
11 H LYS 3 H LYS 3 -16.408 -15.070 -1.385
12 HA LYS 3 HA LYS 3 -18.396 -14.682 -3.225
13 1HB LYS 3 2HB LYS 3 -17.763 -13.200 -0.683
14 2HB LYS 3 1HB LYS 3 -19.197 -12.833 -1.632
15 1HG LYS 3 2HG LYS 3 -20.130 -14.950 -1.246
16 2HG LYS 3 1HG LYS 3 -18.596 -15.613 -0.678
17 1HD LYS 3 2HD LYS 3 -18.710 -14.045 1.256
18 2HD LYS 3 1HD LYS 3 -20.322 -13.570 0.714
19 1HE LYS 3 2HE LYS 3 -19.393 -16.202 1.804
20 2HE LYS 3 1HE LYS 3 -20.737 -15.193 2.335
21 1HZ LYS 3 3HZ LYS 3 -21.875 -15.723 0.244
22 2HZ LYS 3 2HZ LYS 3 -20.605 -16.753 -0.187
23 3HZ LYS 3 1HZ LYS 3 -21.559 -17.109 1.163
24 H CYS 4 H CYS 4 -19.303 -12.692 -4.129
25 HA CYS 4 HA CYS 4 -17.315 -10.621 -4.748
26 1HB CYS 4 2HB CYS 4 -18.238 -12.581 -6.586
27 2HB CYS 4 1HB CYS 4 -18.965 -11.051 -7.063
28 H LYS 5 H LYS 5 -20.371 -11.442 -3.702
29 HA LYS 5 HA LYS 5 -21.220 -8.662 -3.819
30 1HB LYS 5 2HB LYS 5 -23.565 -9.498 -4.481
31 2HB LYS 5 1HB LYS 5 -22.354 -9.331 -5.743
32 1HG LYS 5 2HG LYS 5 -23.427 -11.366 -6.168
33 2HG LYS 5 1HG LYS 5 -21.881 -11.795 -5.441
34 1HD LYS 5 2HD LYS 5 -23.919 -11.463 -3.400
35 2HD LYS 5 1HD LYS 5 -24.444 -12.623 -4.617
36 1HE LYS 5 2HE LYS 5 -21.698 -12.814 -3.436
37 2HE LYS 5 1HE LYS 5 -23.092 -13.433 -2.555
38 1HZ LYS 5 1HZ LYS 5 -23.611 -14.689 -4.689
39 2HZ LYS 5 3HZ LYS 5 -22.026 -14.330 -5.161
40 3HZ LYS 5 2HZ LYS 5 -22.306 -15.242 -3.766
41 H LYS 6 H LYS 6 -22.603 -8.052 -2.164
42 HA LYS 6 HA LYS 6 -23.570 -10.105 -0.338
43 1HB LYS 6 2HB LYS 6 -21.675 -9.856 0.889
44 2HB LYS 6 1HB LYS 6 -21.315 -8.280 0.207
45 1HG LYS 6 2HG LYS 6 -22.808 -7.200 1.716
46 2HG LYS 6 1HG LYS 6 -23.441 -8.749 2.281
47 1HD LYS 6 2HD LYS 6 -21.089 -9.286 3.043
48 2HD LYS 6 1HD LYS 6 -20.693 -7.598 2.720
49 1HE LYS 6 2HE LYS 6 -21.287 -8.136 5.104
50 2HE LYS 6 1HE LYS 6 -22.215 -6.832 4.364
51 1HZ LYS 6 3HZ LYS 6 -23.162 -9.638 4.536
52 2HZ LYS 6 2HZ LYS 6 -23.561 -8.440 5.661
53 3HZ LYS 6 1HZ LYS 6 -24.055 -8.285 4.051
54 H VAL 7 H VAL 7 -25.610 -9.665 0.003
55 HA VAL 7 HA VAL 7 -26.849 -7.229 -0.622
56 HB VAL 7 HB VAL 7 -28.818 -8.268 -0.232
57 1HG1 VAL 7 3HG1 VAL 7 -27.153 -9.864 -1.365
58 2HG1 VAL 7 2HG1 VAL 7 -27.236 -10.770 0.148
59 3HG1 VAL 7 1HG1 VAL 7 -28.698 -10.505 -0.802
60 1HG2 VAL 7 2HG2 VAL 7 -27.572 -9.302 2.296
61 2HG2 VAL 7 1HG2 VAL 7 -28.963 -8.234 2.098
62 3HG2 VAL 7 3HG2 VAL 7 -29.100 -9.946 1.698
63 H TYR 8 H TYR 8 -27.620 -5.552 0.585
64 HA TYR 8 HA TYR 8 -26.145 -4.885 2.900
65 1HB TYR 8 2HB TYR 8 -27.573 -3.420 1.185
66 2HB TYR 8 1HB TYR 8 -28.793 -3.597 2.443
67 HD1 TYR 8 HD2 TYR 8 -26.853 -3.649 4.799
68 HD2 TYR 8 HD1 TYR 8 -27.166 -1.083 1.421
69 HE1 TYR 8 HE2 TYR 8 -25.794 -1.841 6.085
70 HE2 TYR 8 HE1 TYR 8 -26.104 0.734 2.695
71 HH TYR 8 HH TYR 8 -25.379 0.392 6.122
72 H GLU 9 H GLU 9 -26.306 -5.947 4.758
73 HA GLU 9 HA GLU 9 -28.434 -7.602 5.474
74 1HB GLU 9 2HB GLU 9 -26.477 -6.300 7.374
75 2HB GLU 9 1HB GLU 9 -27.377 -7.787 7.636
76 1HG GLU 9 2HG GLU 9 -26.161 -8.760 5.675
77 2HG GLU 9 1HG GLU 9 -25.148 -7.316 5.677
78 H ASN 10 H ASN 10 -28.698 -4.430 5.112
79 HA ASN 10 HA ASN 10 -31.138 -4.114 6.330
80 1HB ASN 10 2HB ASN 10 -30.383 -2.521 8.236
81 2HB ASN 10 1HB ASN 10 -30.342 -4.258 8.520
82 1HD2 ASN 10 2HD2 ASN 10 -27.166 -2.466 9.542
83 2HD2 ASN 10 1HD2 ASN 10 -28.833 -2.064 9.752
84 H TYR 11 H TYR 11 -32.009 -2.527 5.230
85 HA TYR 11 HA TYR 11 -31.030 0.079 5.031
86 1HB TYR 11 2HB TYR 11 -29.410 -1.217 3.481
87 2HB TYR 11 1HB TYR 11 -30.779 -1.325 2.382
88 HD1 TYR 11 HD2 TYR 11 -28.648 1.100 4.217
89 HD2 TYR 11 HD1 TYR 11 -31.309 0.465 0.959
90 HE1 TYR 11 HE2 TYR 11 -28.124 3.342 3.359
91 HE2 TYR 11 HE1 TYR 11 -30.791 2.707 0.092
92 HH TYR 11 HH TYR 11 -29.244 4.429 0.244
93 HA PRO 12 HA PRO 12 -35.489 0.333 4.334
94 1HB PRO 12 2HB PRO 12 -34.619 2.898 3.056
95 2HB PRO 12 1HB PRO 12 -35.953 2.597 4.176
96 1HG PRO 12 2HG PRO 12 -33.674 3.691 5.016
97 2HG PRO 12 1HG PRO 12 -34.567 2.535 6.022
98 1HD PRO 12 2HD PRO 12 -32.027 2.180 4.529
99 2HD PRO 12 1HD PRO 12 -32.607 1.361 5.993
100 H VAL 13 H VAL 13 -35.054 -1.440 2.686
101 HA VAL 13 HA VAL 13 -34.500 -0.909 0.000
102 HB VAL 13 HB VAL 13 -34.410 -3.153 0.609
103 1HG1 VAL 13 2HG1 VAL 13 -37.168 -2.786 1.743
104 2HG1 VAL 13 1HG1 VAL 13 -36.443 -4.374 1.490
105 3HG1 VAL 13 3HG1 VAL 13 -35.686 -3.223 2.592
106 1HG2 VAL 13 1HG2 VAL 13 -35.527 -2.639 -1.612
107 2HG2 VAL 13 3HG2 VAL 13 -35.750 -4.265 -0.967
108 3HG2 VAL 13 2HG2 VAL 13 -37.045 -3.077 -0.827
109 H SER 14 H SER 14 -35.542 0.785 -0.877
110 HA SER 14 HA SER 14 -38.085 0.420 -1.984
111 1HB SER 14 2HB SER 14 -38.892 2.614 -0.487
112 2HB SER 14 1HB SER 14 -39.413 0.951 -0.228
113 HG SER 14 HG SER 14 -37.161 2.176 0.993
114 H LYS 15 H LYS 15 -36.197 3.123 -0.613
115 HA LYS 15 HA LYS 15 -36.697 4.860 -2.791
116 1HB LYS 15 2HB LYS 15 -35.752 5.234 -0.299
117 2HB LYS 15 1HB LYS 15 -34.229 5.258 -1.178
118 1HG LYS 15 2HG LYS 15 -34.907 7.118 -2.478
119 2HG LYS 15 1HG LYS 15 -36.579 6.975 -1.938
120 1HD LYS 15 2HD LYS 15 -35.707 7.411 0.407
121 2HD LYS 15 1HD LYS 15 -34.184 7.872 -0.355
122 1HE LYS 15 2HE LYS 15 -35.789 9.760 0.167
123 2HE LYS 15 1HE LYS 15 -35.183 9.686 -1.488
124 1HZ LYS 15 2HZ LYS 15 -37.804 8.601 -0.613
125 2HZ LYS 15 1HZ LYS 15 -37.592 10.110 -1.346
126 3HZ LYS 15 3HZ LYS 15 -37.228 8.695 -2.201
127 H CYS 16 H CYS 16 -35.272 2.074 -3.034
128 HA CYS 16 HA CYS 16 -32.753 2.586 -4.219
129 1HB CYS 16 2HB CYS 16 -34.320 0.318 -3.555
130 2HB CYS 16 1HB CYS 16 -33.918 0.169 -5.262
131 H GLN 17 H GLN 17 -35.241 4.042 -5.257
132 HA GLN 17 HA GLN 17 -35.299 3.190 -8.033
133 1HB GLN 17 2HB GLN 17 -37.026 4.709 -6.272
134 2HB GLN 17 1HB GLN 17 -36.770 5.586 -7.768
135 1HG GLN 17 2HG GLN 17 -37.483 2.702 -7.900
136 2HG GLN 17 1HG GLN 17 -38.733 3.886 -7.527
137 1HE2 GLN 17 2HE2 GLN 17 -39.265 4.465 -10.878
138 2HE2 GLN 17 1HE2 GLN 17 -39.887 4.187 -9.291
139 H LEU 18 H LEU 18 -32.826 3.786 -7.708
140 HA LEU 18 HA LEU 18 -32.377 6.067 -9.385
141 1HB LEU 18 2HB LEU 18 -31.340 6.090 -6.545
142 2HB LEU 18 1HB LEU 18 -30.704 7.107 -7.820
143 HG LEU 18 HG LEU 18 -33.258 7.829 -8.013
144 1HD1 LEU 18 1HD1 LEU 18 -33.469 6.178 -5.831
145 2HD1 LEU 18 3HD1 LEU 18 -33.286 7.765 -5.086
146 3HD1 LEU 18 2HD1 LEU 18 -34.584 7.477 -6.242
147 1HD2 LEU 18 2HD2 LEU 18 -31.122 8.836 -6.174
148 2HD2 LEU 18 1HD2 LEU 18 -31.648 9.481 -7.728
149 3HD2 LEU 18 3HD2 LEU 18 -32.679 9.654 -6.310
150 H ALA 19 H ALA 19 -29.630 5.794 -7.636
151 HA ALA 19 HA ALA 19 -28.464 3.358 -8.220
152 1HB ALA 19 2HB ALA 19 -28.384 5.297 -10.501
153 2HB ALA 19 1HB ALA 19 -27.067 4.152 -10.248
154 3HB ALA 19 3HB ALA 19 -28.707 3.563 -10.525
155 H ASN 20 H ASN 20 -28.464 5.664 -6.415
156 HA ASN 20 HA ASN 20 -25.555 6.075 -6.280
157 1HB ASN 20 2HB ASN 20 -26.576 8.150 -7.077
158 2HB ASN 20 1HB ASN 20 -27.688 8.143 -5.710
159 1HD2 ASN 20 2HD2 ASN 20 -23.800 9.272 -5.224
160 2HD2 ASN 20 1HD2 ASN 20 -24.305 8.393 -6.624
161 H GLN 21 H GLN 21 -28.588 6.398 -4.449
162 HA GLN 21 HA GLN 21 -27.759 6.533 -1.909
163 1HB GLN 21 2HB GLN 21 -29.919 4.720 -2.997
164 2HB GLN 21 1HB GLN 21 -29.704 5.058 -1.286
165 1HG GLN 21 2HG GLN 21 -30.401 7.027 -3.446
166 2HG GLN 21 1HG GLN 21 -31.447 6.447 -2.152
167 1HE2 GLN 21 2HE2 GLN 21 -28.609 9.289 -1.413
168 2HE2 GLN 21 1HE2 GLN 21 -28.528 8.301 -2.826
169 H CYS 22 H CYS 22 -28.701 3.246 -2.771
170 HA CYS 22 HA CYS 22 -26.920 2.077 -0.961
171 1HB CYS 22 2HB CYS 22 -28.656 1.082 -3.154
172 2HB CYS 22 1HB CYS 22 -27.385 -0.001 -2.587
173 H ASN 23 H ASN 23 -26.564 2.778 -4.401
174 HA ASN 23 HA ASN 23 -24.252 1.319 -4.942
175 1HB ASN 23 2HB ASN 23 -25.795 2.805 -6.486
176 2HB ASN 23 1HB ASN 23 -24.584 4.035 -6.136
177 1HD2 ASN 23 2HD2 ASN 23 -23.626 2.261 -9.222
178 2HD2 ASN 23 1HD2 ASN 23 -24.990 3.173 -8.684
179 H TYR 24 H TYR 24 -24.160 4.859 -4.585
180 HA TYR 24 HA TYR 24 -21.471 5.065 -4.068
181 1HB TYR 24 2HB TYR 24 -22.306 7.169 -4.339
182 2HB TYR 24 1HB TYR 24 -23.822 6.785 -3.534
183 HD1 TYR 24 HD2 TYR 24 -20.310 6.609 -2.289
184 HD2 TYR 24 HD1 TYR 24 -24.143 8.421 -1.924
185 HE1 TYR 24 HE2 TYR 24 -19.553 7.790 -0.270
186 HE2 TYR 24 HE1 TYR 24 -23.393 9.610 0.093
187 HH TYR 24 HH TYR 24 -20.232 9.966 0.953
188 H ASP 25 H ASP 25 -24.096 4.528 -1.737
189 HA ASP 25 HA ASP 25 -22.651 4.695 0.614
190 1HB ASP 25 2HB ASP 25 -24.968 2.919 -0.146
191 2HB ASP 25 1HB ASP 25 -24.299 2.943 1.482
192 H CYS 26 H CYS 26 -23.269 1.723 -1.279
193 HA CYS 26 HA CYS 26 -21.625 0.020 0.176
194 1HB CYS 26 2HB CYS 26 -22.236 0.061 -2.790
195 2HB CYS 26 1HB CYS 26 -21.363 -1.243 -2.009
196 H LYS 27 H LYS 27 -20.897 2.139 -2.537
197 HA LYS 27 HA LYS 27 -18.215 1.446 -2.884
198 1HB LYS 27 2HB LYS 27 -20.088 3.252 -4.005
199 2HB LYS 27 1HB LYS 27 -18.655 4.189 -3.619
200 1HG LYS 27 2HG LYS 27 -17.333 3.026 -5.108
201 2HG LYS 27 1HG LYS 27 -18.378 1.605 -5.096
202 1HD LYS 27 2HD LYS 27 -20.075 2.800 -6.349
203 2HD LYS 27 1HD LYS 27 -19.098 4.272 -6.308
204 1HE LYS 27 2HE LYS 27 -17.596 3.482 -7.850
205 2HE LYS 27 1HE LYS 27 -17.875 1.796 -7.419
206 1HZ LYS 27 1HZ LYS 27 -20.101 3.242 -8.630
207 2HZ LYS 27 3HZ LYS 27 -18.798 2.856 -9.640
208 3HZ LYS 27 2HZ LYS 27 -19.626 1.630 -8.820
209 H LEU 28 H LEU 28 -19.290 2.578 -0.042
210 HA LEU 28 HA LEU 28 -16.693 3.467 0.719
211 1HB LEU 28 2HB LEU 28 -18.027 5.451 -0.476
212 2HB LEU 28 1HB LEU 28 -18.634 5.666 1.154
213 HG LEU 28 HG LEU 28 -15.948 5.453 1.623
214 1HD1 LEU 28 1HD1 LEU 28 -15.765 5.494 -0.970
215 2HD1 LEU 28 3HD1 LEU 28 -16.034 7.225 -0.774
216 3HD1 LEU 28 2HD1 LEU 28 -14.654 6.452 0.008
217 1HD2 LEU 28 3HD2 LEU 28 -17.486 7.974 1.006
218 2HD2 LEU 28 2HD2 LEU 28 -17.415 7.150 2.564
219 3HD2 LEU 28 1HD2 LEU 28 -15.962 7.890 1.889
220 H ASP 29 H ASP 29 -20.125 3.333 1.596
221 HA ASP 29 HA ASP 29 -19.718 3.660 4.377
222 1HB ASP 29 2HB ASP 29 -21.980 2.401 2.820
223 2HB ASP 29 1HB ASP 29 -22.004 2.592 4.570
224 H LYS 30 H LYS 30 -18.953 1.105 2.319
225 HA LYS 30 HA LYS 30 -18.368 -0.600 4.616
226 1HB LYS 30 2HB LYS 30 -20.064 -1.422 2.265
227 2HB LYS 30 1HB LYS 30 -19.232 -2.593 3.281
228 1HG LYS 30 2HG LYS 30 -20.434 -1.603 5.244
229 2HG LYS 30 1HG LYS 30 -21.385 -0.661 4.096
230 1HD LYS 30 2HD LYS 30 -22.068 -2.798 3.012
231 2HD LYS 30 1HD LYS 30 -21.235 -3.666 4.303
232 1HE LYS 30 2HE LYS 30 -23.245 -1.597 5.042
233 2HE LYS 30 1HE LYS 30 -23.820 -3.149 4.437
234 1HZ LYS 30 1HZ LYS 30 -21.770 -3.270 6.490
235 2HZ LYS 30 3HZ LYS 30 -23.276 -2.683 6.993
236 3HZ LYS 30 2HZ LYS 30 -23.158 -4.215 6.288
237 H HIS 31 H HIS 31 -17.135 0.997 2.198
238 HA HIS 31 HA HIS 31 -15.295 0.838 0.866
239 1HB HIS 31 2HB HIS 31 -14.356 -1.504 2.488
240 2HB HIS 31 1HB HIS 31 -13.420 -0.176 1.812
241 HD1 HIS 31 HD1 HIS 31 -14.651 -1.369 4.927
242 HD2 HIS 31 HD2 HIS 31 -14.165 2.390 3.226
243 HE1 HIS 31 HE1 HIS 31 -14.663 0.246 6.853
244 HE2 HIS 31 HE2 HIS 31 -14.274 2.506 5.808
245 H ALA 32 H ALA 32 -17.453 -0.388 -0.216
246 HA ALA 32 HA ALA 32 -16.722 -3.056 -1.090
247 1HB ALA 32 1HB ALA 32 -19.085 -2.308 -0.543
248 2HB ALA 32 3HB ALA 32 -19.052 -1.435 -2.075
249 3HB ALA 32 2HB ALA 32 -18.866 -3.189 -2.055
250 H ARG 33 H ARG 33 -17.465 -3.267 -3.623
251 HA ARG 33 HA ARG 33 -15.466 -1.669 -5.048
252 1HB ARG 33 2HB ARG 33 -15.783 -4.314 -5.083
253 2HB ARG 33 1HB ARG 33 -16.947 -3.914 -6.338
254 1HG ARG 33 2HG ARG 33 -14.810 -2.441 -7.139
255 2HG ARG 33 1HG ARG 33 -14.003 -3.813 -6.383
256 1HD ARG 33 2HD ARG 33 -15.903 -5.077 -7.875
257 2HD ARG 33 1HD ARG 33 -15.561 -3.672 -8.880
258 HE ARG 33 HE ARG 33 -13.861 -5.923 -8.413
259 1HH1 ARG 33 1HH2 ARG 33 -13.907 -2.523 -9.165
260 2HH1 ARG 33 2HH2 ARG 33 -12.368 -2.545 -9.961
261 1HH2 ARG 33 2HH1 ARG 33 -11.840 -5.968 -9.467
262 2HH2 ARG 33 1HH1 ARG 33 -11.193 -4.507 -10.134
263 H SER 34 H SER 34 -18.735 -2.946 -5.668
264 HA SER 34 HA SER 34 -19.659 -0.372 -6.598
265 1HB SER 34 2HB SER 34 -19.901 -0.799 -8.857
266 2HB SER 34 1HB SER 34 -18.410 -1.684 -8.535
267 HG SER 34 HG SER 34 -21.033 -2.766 -8.638
268 H GLY 35 H GLY 35 -21.587 -0.249 -5.619
269 1HA GLY 35 2HA GLY 35 -23.174 -2.722 -5.357
270 2HA GLY 35 1HA GLY 35 -23.324 -1.309 -4.323
271 H GLU 36 H GLU 36 -25.521 -2.515 -5.420
272 HA GLU 36 HA GLU 36 -26.847 -0.360 -6.622
273 1HB GLU 36 2HB GLU 36 -25.344 -1.888 -8.470
274 2HB GLU 36 1HB GLU 36 -27.026 -2.317 -8.740
275 1HG GLU 36 2HG GLU 36 -27.620 -0.070 -9.196
276 2HG GLU 36 1HG GLU 36 -26.061 0.527 -8.626
277 H CYS 37 H CYS 37 -29.057 -1.007 -7.406
278 HA CYS 37 HA CYS 37 -30.136 -2.957 -5.545
279 1HB CYS 37 2HB CYS 37 -31.724 -1.262 -7.454
280 2HB CYS 37 1HB CYS 37 -32.229 -1.930 -5.904
281 H PHE 38 H PHE 38 -30.868 -4.926 -6.079
282 HA PHE 38 HA PHE 38 -31.639 -5.515 -8.823
283 1HB PHE 38 2HB PHE 38 -29.427 -7.006 -7.399
284 2HB PHE 38 1HB PHE 38 -30.184 -7.534 -8.898
285 HD1 PHE 38 HD1 PHE 38 -30.232 -5.611 -10.764
286 HD2 PHE 38 HD2 PHE 38 -27.427 -5.908 -7.578
287 HE1 PHE 38 HE1 PHE 38 -28.631 -4.263 -12.056
288 HE2 PHE 38 HE2 PHE 38 -25.820 -4.560 -8.865
289 HZ PHE 38 HZ PHE 38 -26.420 -3.736 -11.107
290 H TYR 39 H TYR 39 -32.655 -7.674 -9.022
291 HA TYR 39 HA TYR 39 -34.224 -8.243 -6.634
292 1HB TYR 39 2HB TYR 39 -34.521 -9.315 -9.445
293 2HB TYR 39 1HB TYR 39 -35.653 -9.567 -8.122
294 HD1 TYR 39 HD1 TYR 39 -34.289 -7.079 -10.471
295 HD2 TYR 39 HD2 TYR 39 -37.236 -7.879 -7.505
296 HE1 TYR 39 HE1 TYR 39 -35.502 -5.046 -11.135
297 HE2 TYR 39 HE2 TYR 39 -38.457 -5.849 -8.166
298 HH TYR 39 HH TYR 39 -37.605 -4.030 -10.998
299 H ASP 40 H ASP 40 -33.546 -9.740 -5.261
300 HA ASP 40 HA ASP 40 -31.480 -11.548 -5.749
301 1HB ASP 40 2HB ASP 40 -32.428 -12.765 -3.702
302 2HB ASP 40 1HB ASP 40 -31.957 -11.083 -3.476
303 H GLU 41 H GLU 41 -32.084 -12.304 -7.807
304 HA GLU 41 HA GLU 41 -33.247 -13.614 -9.287
305 1HB GLU 41 2HB GLU 41 -32.057 -15.413 -7.198
306 2HB GLU 41 1HB GLU 41 -32.785 -16.055 -8.663
307 1HG GLU 41 2HG GLU 41 -31.186 -14.962 -10.035
308 2HG GLU 41 1HG GLU 41 -30.564 -14.031 -8.674
309 H LYS 42 H LYS 42 -35.181 -12.523 -7.615
310 HA LYS 42 HA LYS 42 -37.167 -14.661 -7.678
311 1HB LYS 42 2HB LYS 42 -36.189 -13.396 -5.228
312 2HB LYS 42 1HB LYS 42 -37.924 -13.227 -5.407
313 1HG LYS 42 2HG LYS 42 -37.690 -15.182 -4.201
314 2HG LYS 42 1HG LYS 42 -37.938 -15.748 -5.852
315 1HD LYS 42 2HD LYS 42 -35.171 -15.452 -5.642
316 2HD LYS 42 1HD LYS 42 -35.649 -16.116 -4.083
317 1HE LYS 42 2HE LYS 42 -36.790 -17.953 -5.196
318 2HE LYS 42 1HE LYS 42 -36.380 -17.273 -6.770
319 1HZ LYS 42 1HZ LYS 42 -33.979 -17.474 -5.958
320 2HZ LYS 42 3HZ LYS 42 -34.591 -18.522 -4.780
321 3HZ LYS 42 2HZ LYS 42 -34.775 -18.893 -6.419
322 H ARG 43 H ARG 43 -37.346 -11.437 -6.268
323 HA ARG 43 HA ARG 43 -38.137 -9.814 -8.262
324 1HB ARG 43 2HB ARG 43 -40.189 -11.867 -7.863
325 2HB ARG 43 1HB ARG 43 -40.837 -10.246 -7.725
326 1HG ARG 43 2HG ARG 43 -40.248 -9.684 -9.908
327 2HG ARG 43 1HG ARG 43 -39.138 -11.046 -10.060
328 1HD ARG 43 2HD ARG 43 -41.151 -11.517 -11.302
329 2HD ARG 43 1HD ARG 43 -41.069 -12.584 -9.900
330 HE ARG 43 HE ARG 43 -42.545 -10.463 -9.038
331 1HH1 ARG 43 1HH2 ARG 43 -42.780 -12.683 -11.712
332 2HH1 ARG 43 2HH2 ARG 43 -44.509 -12.607 -11.790
333 1HH2 ARG 43 2HH1 ARG 43 -44.819 -10.355 -9.134
334 2HH2 ARG 43 1HH1 ARG 43 -45.668 -11.283 -10.324
335 H ASN 44 H ASN 44 -37.346 -10.057 -5.345
336 HA ASN 44 HA ASN 44 -39.355 -8.354 -4.087
337 1HB ASN 44 2HB ASN 44 -37.010 -9.884 -2.991
338 2HB ASN 44 1HB ASN 44 -37.935 -8.745 -2.019
339 1HD2 ASN 44 2HD2 ASN 44 -39.239 -12.209 -1.587
340 2HD2 ASN 44 1HD2 ASN 44 -37.677 -11.481 -1.456
341 H LEU 45 H LEU 45 -36.403 -8.010 -5.656
342 HA LEU 45 HA LEU 45 -34.966 -6.247 -5.936
343 1HB LEU 45 2HB LEU 45 -37.197 -5.139 -6.369
344 2HB LEU 45 1HB LEU 45 -37.139 -4.565 -4.713
345 HG LEU 45 HG LEU 45 -34.772 -3.636 -5.504
346 1HD1 LEU 45 1HD1 LEU 45 -35.118 -4.674 -7.779
347 2HD1 LEU 45 3HD1 LEU 45 -36.362 -3.452 -8.049
348 3HD1 LEU 45 2HD1 LEU 45 -34.692 -2.962 -7.763
349 1HD2 LEU 45 3HD2 LEU 45 -37.509 -2.463 -5.780
350 2HD2 LEU 45 2HD2 LEU 45 -36.237 -2.088 -4.616
351 3HD2 LEU 45 1HD2 LEU 45 -36.095 -1.537 -6.284
352 H GLN 46 H GLN 46 -33.199 -5.886 -4.754
353 HA GLN 46 HA GLN 46 -33.429 -4.769 -2.091
354 1HB GLN 46 2HB GLN 46 -31.466 -6.881 -1.890
355 2HB GLN 46 1HB GLN 46 -32.874 -6.585 -0.886
356 1HG GLN 46 2HG GLN 46 -33.201 -7.949 -3.520
357 2HG GLN 46 1HG GLN 46 -32.591 -8.841 -2.131
358 1HE2 GLN 46 2HE2 GLN 46 -35.642 -8.769 -0.351
359 2HE2 GLN 46 1HE2 GLN 46 -33.924 -8.812 -0.179
360 H CYS 47 H CYS 47 -30.987 -4.674 -1.188
361 HA CYS 47 HA CYS 47 -29.473 -3.328 -3.317
362 1HB CYS 47 2HB CYS 47 -29.555 -3.014 -0.328
363 2HB CYS 47 1HB CYS 47 -28.204 -2.388 -1.269
364 H ILE 48 H ILE 48 -27.411 -3.898 -3.820
365 HA ILE 48 HA ILE 48 -26.137 -6.034 -2.264
366 HB ILE 48 HB ILE 48 -26.435 -6.119 -5.261
367 1HG1 ILE 48 2HG1 ILE 48 -27.816 -7.655 -3.058
368 2HG1 ILE 48 1HG1 ILE 48 -28.561 -6.659 -4.304
369 1HG2 ILE 48 3HG2 ILE 48 -24.330 -7.076 -4.426
370 2HG2 ILE 48 2HG2 ILE 48 -25.250 -8.137 -3.359
371 3HG2 ILE 48 1HG2 ILE 48 -25.393 -8.305 -5.108
372 1HD1 ILE 48 1HD1 ILE 48 -27.447 -8.382 -5.919
373 2HD1 ILE 48 3HD1 ILE 48 -27.448 -9.409 -4.486
374 3HD1 ILE 48 2HD1 ILE 48 -28.965 -8.759 -5.105
375 H CYS 49 H CYS 49 -24.165 -5.512 -1.766
376 HA CYS 49 HA CYS 49 -22.744 -3.479 -3.310
377 1HB CYS 49 2HB CYS 49 -21.913 -4.832 -0.742
378 2HB CYS 49 1HB CYS 49 -21.176 -3.411 -1.456
379 H ASP 50 H ASP 50 -21.250 -4.063 -4.806
380 HA ASP 50 HA ASP 50 -20.511 -6.870 -4.987
381 1HB ASP 50 2HB ASP 50 -21.208 -5.419 -6.979
382 2HB ASP 50 1HB ASP 50 -19.603 -4.697 -6.863
383 H TYR 51 H TYR 51 -18.741 -7.698 -4.259
384 HA TYR 51 HA TYR 51 -16.479 -5.943 -3.554
385 1HB TYR 51 2HB TYR 51 -17.515 -8.485 -2.313
386 2HB TYR 51 1HB TYR 51 -15.922 -7.836 -1.940
387 HD1 TYR 51 HD1 TYR 51 -15.738 -5.643 -0.764
388 HD2 TYR 51 HD2 TYR 51 -19.481 -7.575 -1.359
389 HE1 TYR 51 HE1 TYR 51 -16.741 -4.228 0.980
390 HE2 TYR 51 HE2 TYR 51 -20.490 -6.170 0.382
391 HH TYR 51 HH TYR 51 -19.265 -4.798 2.590
392 H CYS 52 H CYS 52 -16.474 -6.751 -6.169
393 HA CYS 52 HA CYS 52 -14.958 -9.224 -6.371
394 1HB CYS 52 2HB CYS 52 -15.941 -7.259 -8.438
395 2HB CYS 52 1HB CYS 52 -14.899 -8.615 -8.841
396 H GLU 53 H GLU 53 -13.875 -6.915 -4.933
397 HA GLU 53 HA GLU 53 -11.966 -5.459 -6.274
398 1HB GLU 53 2HB GLU 53 -12.588 -5.323 -3.824
399 2HB GLU 53 1HB GLU 53 -11.526 -6.699 -3.555
400 1HG GLU 53 2HG GLU 53 -10.424 -4.333 -4.970
401 2HG GLU 53 1HG GLU 53 -10.693 -4.221 -3.231
402 H TYR 54 HN TYR 54 -10.269 -6.001 -7.473
403 HA TYR 54 HA TYR 54 -9.450 -8.402 -8.286
404 1HB TYR 54 2HB TYR 54 -8.199 -5.794 -8.112
405 2HB TYR 54 1HB TYR 54 -6.991 -7.064 -7.950
406 HD1 TYR 54 HD2 TYR 54 -7.769 -9.144 -9.726
407 HD2 TYR 54 HD1 TYR 54 -8.192 -4.941 -10.248
408 HE1 TYR 54 HE2 TYR 54 -7.758 -9.452 -12.165
409 HE2 TYR 54 HE1 TYR 54 -8.183 -5.239 -12.690
410 HH TYR 54 HH TYR 54 -8.087 -6.681 -14.370
No H/Q in entry = 410
Start of MODEL 43
1 HN PCA 1 HN PCA 1 -17.982 -14.934 0.657
2 HA PCA 1 HA PCA 1 -19.962 -16.502 0.574
3 1HB PCA 1 1HB PCA 1 -21.390 -16.227 2.310
4 2HB PCA 1 2HB PCA 1 -21.997 -14.746 1.534
5 1HG PCA 1 1HG PCA 1 -20.364 -14.936 3.875
6 2HG PCA 1 2HG PCA 1 -20.815 -13.459 3.004
7 H ASP 2 H ASP 2 -21.125 -16.536 -1.284
8 HA ASP 2 HA ASP 2 -22.121 -15.845 -3.216
9 1HB ASP 2 2HB ASP 2 -23.069 -14.022 -1.603
10 2HB ASP 2 1HB ASP 2 -21.906 -12.966 -2.398
11 H LYS 3 H LYS 3 -19.154 -14.721 -2.064
12 HA LYS 3 HA LYS 3 -17.165 -14.525 -3.195
13 1HB LYS 3 2HB LYS 3 -18.505 -15.764 -5.080
14 2HB LYS 3 1HB LYS 3 -18.558 -14.174 -5.824
15 1HG LYS 3 2HG LYS 3 -15.866 -14.682 -5.017
16 2HG LYS 3 1HG LYS 3 -16.451 -16.091 -5.895
17 1HD LYS 3 2HD LYS 3 -16.834 -13.313 -6.979
18 2HD LYS 3 1HD LYS 3 -15.318 -14.184 -7.210
19 1HE LYS 3 2HE LYS 3 -17.513 -14.348 -8.861
20 2HE LYS 3 1HE LYS 3 -16.200 -15.522 -8.788
21 1HZ LYS 3 2HZ LYS 3 -18.133 -16.004 -6.761
22 2HZ LYS 3 1HZ LYS 3 -18.855 -15.995 -8.289
23 3HZ LYS 3 3HZ LYS 3 -17.565 -17.041 -7.967
24 H CYS 4 H CYS 4 -16.978 -12.544 -2.113
25 HA CYS 4 HA CYS 4 -16.749 -10.291 -1.901
26 1HB CYS 4 2HB CYS 4 -16.364 -10.657 -4.870
27 2HB CYS 4 1HB CYS 4 -16.151 -9.098 -4.077
28 H LYS 5 H LYS 5 -19.415 -11.190 -1.970
29 HA LYS 5 HA LYS 5 -20.726 -8.753 -2.902
30 1HB LYS 5 2HB LYS 5 -21.010 -11.309 -4.177
31 2HB LYS 5 1HB LYS 5 -22.540 -10.903 -3.427
32 1HG LYS 5 2HG LYS 5 -22.879 -9.925 -5.440
33 2HG LYS 5 1HG LYS 5 -22.075 -8.574 -4.648
34 1HD LYS 5 2HD LYS 5 -20.943 -8.731 -6.666
35 2HD LYS 5 1HD LYS 5 -19.901 -9.643 -5.572
36 1HE LYS 5 2HE LYS 5 -20.766 -11.726 -6.382
37 2HE LYS 5 1HE LYS 5 -22.016 -10.904 -7.314
38 1HZ LYS 5 1HZ LYS 5 -19.136 -10.462 -7.829
39 2HZ LYS 5 3HZ LYS 5 -19.992 -11.723 -8.563
40 3HZ LYS 5 2HZ LYS 5 -20.449 -10.118 -8.838
41 H LYS 6 H LYS 6 -22.269 -8.025 -1.511
42 HA LYS 6 HA LYS 6 -23.461 -9.841 0.419
43 1HB LYS 6 2HB LYS 6 -21.683 -7.536 1.211
44 2HB LYS 6 1HB LYS 6 -22.851 -8.259 2.309
45 1HG LYS 6 2HG LYS 6 -21.721 -10.374 2.210
46 2HG LYS 6 1HG LYS 6 -20.625 -9.773 0.964
47 1HD LYS 6 2HD LYS 6 -19.680 -8.176 2.519
48 2HD LYS 6 1HD LYS 6 -20.826 -8.674 3.766
49 1HE LYS 6 2HE LYS 6 -18.836 -9.804 4.293
50 2HE LYS 6 1HE LYS 6 -19.847 -11.011 3.499
51 1HZ LYS 6 1HZ LYS 6 -18.316 -9.672 1.558
52 2HZ LYS 6 3HZ LYS 6 -17.281 -10.197 2.790
53 3HZ LYS 6 2HZ LYS 6 -18.275 -11.307 1.990
54 H VAL 7 H VAL 7 -25.550 -9.394 0.533
55 HA VAL 7 HA VAL 7 -26.743 -7.170 -0.695
56 HB VAL 7 HB VAL 7 -28.809 -7.955 0.046
57 1HG1 VAL 7 1HG1 VAL 7 -27.518 -9.613 -1.313
58 2HG1 VAL 7 3HG1 VAL 7 -27.151 -10.456 0.192
59 3HG1 VAL 7 2HG1 VAL 7 -28.824 -10.290 -0.340
60 1HG2 VAL 7 2HG2 VAL 7 -27.334 -9.003 2.440
61 2HG2 VAL 7 1HG2 VAL 7 -28.698 -7.886 2.377
62 3HG2 VAL 7 3HG2 VAL 7 -28.940 -9.598 2.023
63 H TYR 8 H TYR 8 -28.134 -5.559 0.358
64 HA TYR 8 HA TYR 8 -26.993 -4.645 2.920
65 1HB TYR 8 2HB TYR 8 -26.846 -3.213 0.653
66 2HB TYR 8 1HB TYR 8 -28.442 -2.701 1.193
67 HD1 TYR 8 HD1 TYR 8 -27.765 -2.972 4.209
68 HD2 TYR 8 HD2 TYR 8 -25.810 -1.059 0.947
69 HE1 TYR 8 HE1 TYR 8 -26.720 -1.397 5.770
70 HE2 TYR 8 HE2 TYR 8 -24.763 0.531 2.503
71 HH TYR 8 HH TYR 8 -24.716 0.073 5.846
72 H GLU 9 H GLU 9 -28.446 -5.922 4.051
73 HA GLU 9 HA GLU 9 -31.184 -6.054 3.705
74 1HB GLU 9 2HB GLU 9 -30.905 -6.413 6.404
75 2HB GLU 9 1HB GLU 9 -30.628 -7.656 5.192
76 1HG GLU 9 2HG GLU 9 -28.834 -7.306 6.962
77 2HG GLU 9 1HG GLU 9 -28.317 -7.408 5.281
78 H ASN 10 H ASN 10 -29.876 -4.517 6.534
79 HA ASN 10 HA ASN 10 -31.949 -3.059 7.383
80 1HB ASN 10 2HB ASN 10 -29.657 -3.187 8.422
81 2HB ASN 10 1HB ASN 10 -29.169 -1.889 7.337
82 1HD2 ASN 10 2HD2 ASN 10 -32.127 -0.909 9.981
83 2HD2 ASN 10 1HD2 ASN 10 -32.215 -2.370 9.064
84 H TYR 11 H TYR 11 -29.823 -2.040 4.727
85 HA TYR 11 HA TYR 11 -30.639 0.566 4.448
86 1HB TYR 11 2HB TYR 11 -28.848 -0.550 3.124
87 2HB TYR 11 1HB TYR 11 -30.102 -1.280 2.128
88 HD1 TYR 11 HD1 TYR 11 -28.589 1.932 3.157
89 HD2 TYR 11 HD2 TYR 11 -31.152 -0.045 0.396
90 HE1 TYR 11 HE1 TYR 11 -28.614 3.947 1.750
91 HE2 TYR 11 HE2 TYR 11 -31.183 1.965 -1.021
92 HH TYR 11 HH TYR 11 -29.515 3.997 -1.360
93 HA PRO 12 HA PRO 12 -35.078 0.318 3.689
94 1HB PRO 12 2HB PRO 12 -34.466 2.760 2.077
95 2HB PRO 12 1HB PRO 12 -35.745 2.486 3.266
96 1HG PRO 12 2HG PRO 12 -33.566 3.910 3.870
97 2HG PRO 12 1HG PRO 12 -34.343 2.848 5.058
98 1HD PRO 12 2HD PRO 12 -31.793 2.491 3.583
99 2HD PRO 12 1HD PRO 12 -32.285 1.872 5.172
100 H VAL 13 H VAL 13 -35.626 -1.257 2.290
101 HA VAL 13 HA VAL 13 -34.500 -1.685 -0.240
102 HB VAL 13 HB VAL 13 -35.964 -3.241 1.272
103 1HG1 VAL 13 1HG1 VAL 13 -37.948 -1.591 0.840
104 2HG1 VAL 13 3HG1 VAL 13 -38.132 -2.524 -0.646
105 3HG1 VAL 13 2HG1 VAL 13 -38.233 -3.329 0.919
106 1HG2 VAL 13 2HG2 VAL 13 -35.815 -3.209 -1.721
107 2HG2 VAL 13 1HG2 VAL 13 -34.922 -4.204 -0.571
108 3HG2 VAL 13 3HG2 VAL 13 -36.632 -4.518 -0.866
109 H SER 14 H SER 14 -36.078 0.976 0.549
110 HA SER 14 HA SER 14 -38.127 1.306 -1.325
111 1HB SER 14 2HB SER 14 -37.526 3.806 -1.053
112 2HB SER 14 1HB SER 14 -38.049 2.918 0.377
113 HG SER 14 HG SER 14 -35.623 2.547 0.584
114 H LYS 15 H LYS 15 -35.881 3.769 -1.875
115 HA LYS 15 HA LYS 15 -35.864 3.389 -4.662
116 1HB LYS 15 2HB LYS 15 -35.542 5.573 -3.539
117 2HB LYS 15 1HB LYS 15 -33.963 5.036 -2.986
118 1HG LYS 15 2HG LYS 15 -32.999 5.309 -5.025
119 2HG LYS 15 1HG LYS 15 -34.471 4.882 -5.896
120 1HD LYS 15 2HD LYS 15 -33.827 7.251 -6.192
121 2HD LYS 15 1HD LYS 15 -35.420 7.055 -5.462
122 1HE LYS 15 2HE LYS 15 -33.395 7.192 -3.407
123 2HE LYS 15 1HE LYS 15 -33.270 8.582 -4.480
124 1HZ LYS 15 3HZ LYS 15 -35.791 8.743 -4.151
125 2HZ LYS 15 2HZ LYS 15 -35.549 7.745 -2.807
126 3HZ LYS 15 1HZ LYS 15 -34.785 9.251 -2.889
127 H CYS 16 H CYS 16 -34.182 2.780 -6.078
128 HA CYS 16 HA CYS 16 -31.670 1.822 -5.195
129 1HB CYS 16 2HB CYS 16 -33.875 -0.008 -4.961
130 2HB CYS 16 1HB CYS 16 -32.736 -0.629 -6.147
131 H GLN 17 H GLN 17 -33.601 2.946 -7.552
132 HA GLN 17 HA GLN 17 -32.418 1.532 -9.786
133 1HB GLN 17 2HB GLN 17 -34.567 3.552 -9.421
134 2HB GLN 17 1HB GLN 17 -33.745 3.542 -10.975
135 1HG GLN 17 2HG GLN 17 -34.956 1.084 -9.748
136 2HG GLN 17 1HG GLN 17 -35.841 2.168 -10.822
137 1HE2 GLN 17 2HE2 GLN 17 -32.618 0.894 -12.836
138 2HE2 GLN 17 1HE2 GLN 17 -32.539 1.986 -11.500
139 H LEU 18 H LEU 18 -32.067 4.572 -8.102
140 HA LEU 18 HA LEU 18 -30.488 5.884 -10.054
141 1HB LEU 18 2HB LEU 18 -30.886 6.306 -7.105
142 2HB LEU 18 1HB LEU 18 -29.790 7.304 -8.044
143 HG LEU 18 HG LEU 18 -32.157 8.187 -7.634
144 1HD1 LEU 18 2HD1 LEU 18 -30.554 9.131 -9.252
145 2HD1 LEU 18 1HD1 LEU 18 -31.173 8.023 -10.477
146 3HD1 LEU 18 3HD1 LEU 18 -32.228 9.261 -9.794
147 1HD2 LEU 18 2HD2 LEU 18 -33.194 5.961 -8.263
148 2HD2 LEU 18 1HD2 LEU 18 -33.919 7.397 -8.985
149 3HD2 LEU 18 3HD2 LEU 18 -32.837 6.382 -9.938
150 H ALA 19 H ALA 19 -28.534 5.336 -10.699
151 HA ALA 19 HA ALA 19 -26.855 3.471 -9.410
152 1HB ALA 19 3HB ALA 19 -26.208 5.526 -11.520
153 2HB ALA 19 2HB ALA 19 -25.146 4.204 -11.037
154 3HB ALA 19 1HB ALA 19 -26.702 3.855 -11.793
155 H ASN 20 H ASN 20 -27.582 5.441 -7.536
156 HA ASN 20 HA ASN 20 -24.927 6.398 -6.782
157 1HB ASN 20 2HB ASN 20 -26.814 8.105 -7.809
158 2HB ASN 20 1HB ASN 20 -27.107 8.277 -6.094
159 1HD2 ASN 20 2HD2 ASN 20 -23.542 9.244 -5.675
160 2HD2 ASN 20 1HD2 ASN 20 -24.491 7.887 -5.186
161 H GLN 21 H GLN 21 -27.535 7.505 -4.828
162 HA GLN 21 HA GLN 21 -27.298 6.994 -2.445
163 1HB GLN 21 2HB GLN 21 -29.510 5.991 -4.110
164 2HB GLN 21 1HB GLN 21 -29.434 5.291 -2.500
165 1HG GLN 21 2HG GLN 21 -29.300 8.251 -2.912
166 2HG GLN 21 1HG GLN 21 -30.841 7.397 -2.850
167 1HE2 GLN 21 2HE2 GLN 21 -28.777 6.676 0.543
168 2HE2 GLN 21 1HE2 GLN 21 -28.226 6.155 -1.009
169 H CYS 22 H CYS 22 -28.335 3.899 -3.806
170 HA CYS 22 HA CYS 22 -27.125 2.337 -1.834
171 1HB CYS 22 2HB CYS 22 -28.941 1.588 -3.387
172 2HB CYS 22 1HB CYS 22 -27.738 1.474 -4.667
173 H ASN 23 H ASN 23 -26.067 2.778 -5.212
174 HA ASN 23 HA ASN 23 -23.669 1.408 -5.054
175 1HB ASN 23 2HB ASN 23 -24.830 2.455 -7.107
176 2HB ASN 23 1HB ASN 23 -23.978 3.935 -6.672
177 1HD2 ASN 23 2HD2 ASN 23 -20.742 2.255 -7.170
178 2HD2 ASN 23 1HD2 ASN 23 -21.563 3.026 -5.860
179 H TYR 24 H TYR 24 -24.128 4.930 -4.697
180 HA TYR 24 HA TYR 24 -21.541 5.599 -3.981
181 1HB TYR 24 2HB TYR 24 -22.892 7.434 -4.382
182 2HB TYR 24 1HB TYR 24 -24.221 6.803 -3.416
183 HD1 TYR 24 HD1 TYR 24 -20.725 8.055 -3.045
184 HD2 TYR 24 HD2 TYR 24 -24.596 7.703 -1.317
185 HE1 TYR 24 HE1 TYR 24 -20.005 9.465 -1.165
186 HE2 TYR 24 HE2 TYR 24 -23.887 9.112 0.571
187 HH TYR 24 HH TYR 24 -20.645 10.550 0.672
188 H ASP 25 H ASP 25 -24.267 4.811 -1.817
189 HA ASP 25 HA ASP 25 -22.952 4.998 0.606
190 1HB ASP 25 2HB ASP 25 -25.246 3.350 -0.379
191 2HB ASP 25 1HB ASP 25 -24.570 2.978 1.204
192 H CYS 26 H CYS 26 -23.222 2.173 -1.526
193 HA CYS 26 HA CYS 26 -21.743 0.350 -0.055
194 1HB CYS 26 2HB CYS 26 -22.441 0.738 -2.898
195 2HB CYS 26 1HB CYS 26 -20.998 -0.234 -2.628
196 H LYS 27 H LYS 27 -20.623 2.579 -2.567
197 HA LYS 27 HA LYS 27 -17.889 2.072 -2.326
198 1HB LYS 27 2HB LYS 27 -19.492 3.547 -3.988
199 2HB LYS 27 1HB LYS 27 -18.603 4.806 -3.145
200 1HG LYS 27 2HG LYS 27 -16.525 3.976 -3.902
201 2HG LYS 27 1HG LYS 27 -17.253 2.474 -4.474
202 1HD LYS 27 2HD LYS 27 -18.512 3.726 -6.160
203 2HD LYS 27 1HD LYS 27 -17.777 5.228 -5.590
204 1HE LYS 27 2HE LYS 27 -16.311 4.806 -7.267
205 2HE LYS 27 1HE LYS 27 -15.556 3.776 -6.051
206 1HZ LYS 27 1HZ LYS 27 -17.193 2.017 -7.004
207 2HZ LYS 27 3HZ LYS 27 -17.192 3.020 -8.367
208 3HZ LYS 27 2HZ LYS 27 -15.743 2.348 -7.809
209 H LEU 28 H LEU 28 -19.499 2.951 0.268
210 HA LEU 28 HA LEU 28 -17.236 4.246 1.444
211 1HB LEU 28 2HB LEU 28 -18.516 6.050 0.122
212 2HB LEU 28 1HB LEU 28 -19.700 5.947 1.411
213 HG LEU 28 HG LEU 28 -18.138 7.799 1.758
214 1HD1 LEU 28 2HD1 LEU 28 -19.127 6.295 3.633
215 2HD1 LEU 28 1HD1 LEU 28 -17.454 5.776 3.843
216 3HD1 LEU 28 3HD1 LEU 28 -17.878 7.478 4.025
217 1HD2 LEU 28 3HD2 LEU 28 -16.230 6.341 0.659
218 2HD2 LEU 28 2HD2 LEU 28 -15.864 7.601 1.837
219 3HD2 LEU 28 1HD2 LEU 28 -15.915 5.911 2.340
220 H ASP 29 H ASP 29 -20.769 3.977 1.912
221 HA ASP 29 HA ASP 29 -20.637 3.915 4.729
222 1HB ASP 29 2HB ASP 29 -22.725 3.230 2.701
223 2HB ASP 29 1HB ASP 29 -22.986 2.780 4.383
224 H LYS 30 H LYS 30 -19.807 1.559 2.446
225 HA LYS 30 HA LYS 30 -19.626 -0.452 4.569
226 1HB LYS 30 2HB LYS 30 -20.830 -0.934 1.838
227 2HB LYS 30 1HB LYS 30 -20.375 -2.213 2.957
228 1HG LYS 30 2HG LYS 30 -22.286 -0.058 3.775
229 2HG LYS 30 1HG LYS 30 -22.831 -1.464 2.859
230 1HD LYS 30 2HD LYS 30 -21.153 -1.997 5.248
231 2HD LYS 30 1HD LYS 30 -22.784 -1.392 5.544
232 1HE LYS 30 2HE LYS 30 -22.784 -3.813 5.545
233 2HE LYS 30 1HE LYS 30 -23.688 -3.210 4.155
234 1HZ LYS 30 3HZ LYS 30 -20.850 -4.059 4.010
235 2HZ LYS 30 2HZ LYS 30 -22.149 -5.090 3.674
236 3HZ LYS 30 1HZ LYS 30 -21.891 -3.719 2.719
237 H HIS 31 H HIS 31 -17.785 1.358 3.075
238 HA HIS 31 HA HIS 31 -15.854 1.283 1.804
239 1HB HIS 31 2HB HIS 31 -14.897 -1.044 3.352
240 2HB HIS 31 1HB HIS 31 -14.233 0.584 3.232
241 HD1 HIS 31 HD1 HIS 31 -16.659 -1.478 5.204
242 HD2 HIS 31 HD2 HIS 31 -15.044 2.352 5.227
243 HE1 HIS 31 HE1 HIS 31 -17.323 -0.482 7.415
244 HE2 HIS 31 HE2 HIS 31 -16.279 1.809 7.436
245 H ALA 32 H ALA 32 -17.872 -0.190 0.475
246 HA ALA 32 HA ALA 32 -16.668 -2.688 -0.382
247 1HB ALA 32 3HB ALA 32 -19.216 -2.110 -0.092
248 2HB ALA 32 2HB ALA 32 -19.047 -1.521 -1.746
249 3HB ALA 32 1HB ALA 32 -18.676 -3.202 -1.368
250 H ARG 33 H ARG 33 -16.938 -2.984 -2.933
251 HA ARG 33 HA ARG 33 -15.136 -1.009 -4.102
252 1HB ARG 33 2HB ARG 33 -15.773 -3.853 -4.567
253 2HB ARG 33 1HB ARG 33 -15.478 -2.928 -6.031
254 1HG ARG 33 2HG ARG 33 -13.560 -2.756 -3.750
255 2HG ARG 33 1HG ARG 33 -13.518 -4.136 -4.850
256 1HD ARG 33 2HD ARG 33 -13.184 -1.224 -5.546
257 2HD ARG 33 1HD ARG 33 -11.968 -2.497 -5.648
258 HE ARG 33 HE ARG 33 -13.940 -1.861 -7.599
259 1HH1 ARG 33 1HH2 ARG 33 -12.150 -4.505 -6.207
260 2HH1 ARG 33 2HH2 ARG 33 -12.253 -5.492 -7.628
261 1HH2 ARG 33 2HH1 ARG 33 -14.082 -3.154 -9.474
262 2HH2 ARG 33 1HH1 ARG 33 -13.353 -4.725 -9.483
263 H SER 34 H SER 34 -18.384 -2.143 -4.270
264 HA SER 34 HA SER 34 -19.404 0.080 -5.573
265 1HB SER 34 2HB SER 34 -20.073 -1.277 -7.747
266 2HB SER 34 1HB SER 34 -18.541 -0.407 -7.662
267 HG SER 34 HG SER 34 -17.499 -2.242 -7.677
268 H GLY 35 H GLY 35 -21.632 -0.937 -6.869
269 1HA GLY 35 2HA GLY 35 -22.842 -3.151 -5.686
270 2HA GLY 35 1HA GLY 35 -23.192 -1.770 -4.661
271 H GLU 36 H GLU 36 -25.352 -2.741 -5.431
272 HA GLU 36 HA GLU 36 -26.642 -0.840 -7.012
273 1HB GLU 36 2HB GLU 36 -25.295 -2.725 -8.583
274 2HB GLU 36 1HB GLU 36 -26.968 -3.259 -8.614
275 1HG GLU 36 2HG GLU 36 -25.980 -0.511 -9.347
276 2HG GLU 36 1HG GLU 36 -26.455 -1.779 -10.476
277 H CYS 37 H CYS 37 -28.666 -2.670 -8.068
278 HA CYS 37 HA CYS 37 -29.628 -4.068 -5.700
279 1HB CYS 37 2HB CYS 37 -30.567 -1.486 -6.399
280 2HB CYS 37 1HB CYS 37 -31.858 -2.615 -6.795
281 H PHE 38 H PHE 38 -30.988 -5.778 -6.130
282 HA PHE 38 HA PHE 38 -31.907 -6.168 -8.870
283 1HB PHE 38 2HB PHE 38 -29.919 -7.945 -7.481
284 2HB PHE 38 1HB PHE 38 -30.940 -8.540 -8.786
285 HD1 PHE 38 HD1 PHE 38 -30.746 -7.535 -11.049
286 HD2 PHE 38 HD2 PHE 38 -28.026 -6.604 -7.915
287 HE1 PHE 38 HE1 PHE 38 -29.150 -6.654 -12.701
288 HE2 PHE 38 HE2 PHE 38 -26.424 -5.722 -9.559
289 HZ PHE 38 HZ PHE 38 -26.985 -5.745 -11.957
290 H TYR 39 H TYR 39 -33.273 -8.113 -9.093
291 HA TYR 39 HA TYR 39 -34.916 -8.452 -6.688
292 1HB TYR 39 2HB TYR 39 -35.463 -8.539 -9.622
293 2HB TYR 39 1HB TYR 39 -36.497 -9.475 -8.547
294 HD1 TYR 39 HD1 TYR 39 -37.920 -8.352 -6.909
295 HD2 TYR 39 HD2 TYR 39 -35.544 -6.125 -9.641
296 HE1 TYR 39 HE1 TYR 39 -39.238 -6.341 -6.401
297 HE2 TYR 39 HE2 TYR 39 -36.855 -4.105 -9.141
298 HH TYR 39 HH TYR 39 -38.967 -3.449 -8.253
299 H ASP 40 H ASP 40 -34.727 -10.264 -5.573
300 HA ASP 40 HA ASP 40 -33.133 -12.426 -6.213
301 1HB ASP 40 2HB ASP 40 -34.046 -13.527 -4.340
302 2HB ASP 40 1HB ASP 40 -34.208 -11.817 -3.958
303 H GLU 41 H GLU 41 -33.933 -14.746 -6.461
304 HA GLU 41 HA GLU 41 -35.260 -14.967 -8.930
305 1HB GLU 41 2HB GLU 41 -34.379 -16.952 -6.864
306 2HB GLU 41 1HB GLU 41 -35.349 -17.477 -8.233
307 1HG GLU 41 2HG GLU 41 -33.658 -16.559 -9.759
308 2HG GLU 41 1HG GLU 41 -32.674 -16.109 -8.368
309 H LYS 42 H LYS 42 -36.901 -13.560 -7.103
310 HA LYS 42 HA LYS 42 -39.313 -15.157 -7.357
311 1HB LYS 42 2HB LYS 42 -38.043 -14.457 -4.795
312 2HB LYS 42 1HB LYS 42 -39.751 -14.049 -4.883
313 1HG LYS 42 2HG LYS 42 -38.686 -16.770 -5.577
314 2HG LYS 42 1HG LYS 42 -39.191 -16.318 -3.948
315 1HD LYS 42 2HD LYS 42 -41.368 -16.558 -4.460
316 2HD LYS 42 1HD LYS 42 -41.202 -15.605 -5.933
317 1HE LYS 42 2HE LYS 42 -41.932 -17.765 -6.583
318 2HE LYS 42 1HE LYS 42 -40.230 -17.645 -7.027
319 1HZ LYS 42 2HZ LYS 42 -39.891 -18.727 -4.702
320 2HZ LYS 42 1HZ LYS 42 -41.489 -19.241 -4.909
321 3HZ LYS 42 3HZ LYS 42 -40.304 -19.689 -6.030
322 H ARG 43 H ARG 43 -38.705 -12.247 -5.471
323 HA ARG 43 HA ARG 43 -39.382 -10.352 -7.415
324 1HB ARG 43 2HB ARG 43 -41.606 -11.636 -7.084
325 2HB ARG 43 1HB ARG 43 -41.690 -10.803 -5.542
326 1HG ARG 43 2HG ARG 43 -42.962 -9.487 -6.965
327 2HG ARG 43 1HG ARG 43 -41.411 -8.651 -6.895
328 1HD ARG 43 2HD ARG 43 -42.306 -8.769 -9.180
329 2HD ARG 43 1HD ARG 43 -40.763 -9.602 -9.027
330 HE ARG 43 HE ARG 43 -41.860 -11.649 -9.320
331 1HH1 ARG 43 1HH2 ARG 43 -44.082 -8.968 -9.321
332 2HH1 ARG 43 2HH2 ARG 43 -45.372 -9.868 -10.046
333 1HH2 ARG 43 2HH1 ARG 43 -43.552 -12.845 -10.280
334 2HH2 ARG 43 1HH1 ARG 43 -45.071 -12.073 -10.591
335 H ASN 44 H ASN 44 -37.790 -10.974 -4.901
336 HA ASN 44 HA ASN 44 -38.472 -8.619 -3.282
337 1HB ASN 44 2HB ASN 44 -37.334 -11.234 -2.704
338 2HB ASN 44 1HB ASN 44 -36.318 -9.952 -2.060
339 1HD2 ASN 44 2HD2 ASN 44 -40.082 -10.544 -0.584
340 2HD2 ASN 44 1HD2 ASN 44 -39.650 -11.117 -2.155
341 H LEU 45 H LEU 45 -37.342 -6.800 -3.492
342 HA LEU 45 HA LEU 45 -34.943 -6.794 -5.142
343 1HB LEU 45 2HB LEU 45 -36.686 -5.122 -5.557
344 2HB LEU 45 1HB LEU 45 -36.500 -4.515 -3.921
345 HG LEU 45 HG LEU 45 -34.135 -3.904 -4.491
346 1HD1 LEU 45 1HD1 LEU 45 -34.994 -5.037 -7.097
347 2HD1 LEU 45 3HD1 LEU 45 -33.944 -3.621 -7.117
348 3HD1 LEU 45 2HD1 LEU 45 -33.425 -5.089 -6.297
349 1HD2 LEU 45 1HD2 LEU 45 -36.526 -2.687 -5.801
350 2HD2 LEU 45 3HD2 LEU 45 -35.532 -2.074 -4.477
351 3HD2 LEU 45 2HD2 LEU 45 -34.922 -2.032 -6.131
352 H GLN 46 H GLN 46 -32.904 -6.318 -4.430
353 HA GLN 46 HA GLN 46 -32.529 -5.455 -1.671
354 1HB GLN 46 2HB GLN 46 -31.659 -8.117 -2.751
355 2HB GLN 46 1HB GLN 46 -30.783 -7.349 -1.435
356 1HG GLN 46 2HG GLN 46 -32.703 -7.394 -0.027
357 2HG GLN 46 1HG GLN 46 -33.736 -7.909 -1.359
358 1HE2 GLN 46 2HE2 GLN 46 -33.328 -11.228 -0.567
359 2HE2 GLN 46 1HE2 GLN 46 -34.315 -9.936 -1.151
360 H CYS 47 H CYS 47 -30.575 -4.479 -1.252
361 HA CYS 47 HA CYS 47 -29.163 -3.491 -3.564
362 1HB CYS 47 2HB CYS 47 -29.530 -2.698 -0.790
363 2HB CYS 47 1HB CYS 47 -27.855 -2.517 -1.300
364 H ILE 48 H ILE 48 -27.638 -4.750 -4.460
365 HA ILE 48 HA ILE 48 -26.069 -6.547 -2.788
366 HB ILE 48 HB ILE 48 -25.782 -6.230 -5.765
367 1HG1 ILE 48 2HG1 ILE 48 -27.888 -7.643 -4.166
368 2HG1 ILE 48 1HG1 ILE 48 -28.058 -6.710 -5.648
369 1HG2 ILE 48 3HG2 ILE 48 -24.069 -7.489 -4.449
370 2HG2 ILE 48 2HG2 ILE 48 -25.338 -8.625 -3.991
371 3HG2 ILE 48 1HG2 ILE 48 -24.886 -8.444 -5.687
372 1HD1 ILE 48 3HD1 ILE 48 -26.929 -8.542 -6.871
373 2HD1 ILE 48 2HD1 ILE 48 -26.913 -9.480 -5.377
374 3HD1 ILE 48 1HD1 ILE 48 -28.447 -9.026 -6.117
375 H CYS 49 H CYS 49 -24.244 -5.909 -1.899
376 HA CYS 49 HA CYS 49 -22.748 -3.672 -3.061
377 1HB CYS 49 2HB CYS 49 -23.434 -4.126 -0.486
378 2HB CYS 49 1HB CYS 49 -21.847 -4.885 -0.505
379 H ASP 50 H ASP 50 -21.058 -4.064 -4.321
380 HA ASP 50 HA ASP 50 -19.831 -6.719 -4.309
381 1HB ASP 50 2HB ASP 50 -20.528 -5.777 -6.476
382 2HB ASP 50 1HB ASP 50 -19.463 -4.398 -6.220
383 H TYR 51 H TYR 51 -17.782 -7.119 -3.700
384 HA TYR 51 HA TYR 51 -16.243 -4.865 -2.586
385 1HB TYR 51 2HB TYR 51 -16.522 -7.741 -1.798
386 2HB TYR 51 1HB TYR 51 -15.104 -6.820 -1.310
387 HD1 TYR 51 HD1 TYR 51 -18.811 -6.883 -1.117
388 HD2 TYR 51 HD2 TYR 51 -15.195 -5.377 0.545
389 HE1 TYR 51 HE1 TYR 51 -20.073 -5.973 0.784
390 HE2 TYR 51 HE2 TYR 51 -16.448 -4.465 2.454
391 HH TYR 51 HH TYR 51 -19.928 -4.425 2.521
392 H CYS 52 H CYS 52 -16.295 -6.982 -5.178
393 HA CYS 52 HA CYS 52 -13.461 -6.472 -5.706
394 1HB CYS 52 2HB CYS 52 -14.718 -9.211 -5.942
395 2HB CYS 52 1HB CYS 52 -13.069 -8.788 -6.393
396 H GLU 53 H GLU 53 -14.656 -8.858 -7.692
397 HA GLU 53 HA GLU 53 -15.395 -8.945 -9.842
398 1HB GLU 53 2HB GLU 53 -17.257 -7.492 -8.851
399 2HB GLU 53 1HB GLU 53 -16.404 -6.122 -9.551
400 1HG GLU 53 2HG GLU 53 -17.412 -8.498 -11.098
401 2HG GLU 53 1HG GLU 53 -18.243 -6.948 -10.963
402 H TYR 54 HN TYR 54 -14.166 -8.795 -11.617
403 HA TYR 54 HA TYR 54 -11.848 -7.254 -11.735
404 1HB TYR 54 2HB TYR 54 -13.401 -8.878 -13.687
405 2HB TYR 54 1HB TYR 54 -12.205 -7.766 -14.343
406 HD1 TYR 54 HD2 TYR 54 -9.805 -7.950 -13.449
407 HD2 TYR 54 HD1 TYR 54 -12.749 -10.968 -12.867
408 HE1 TYR 54 HE2 TYR 54 -8.028 -9.589 -13.005
409 HE2 TYR 54 HE1 TYR 54 -10.979 -12.616 -12.422
410 HH TYR 54 HH TYR 54 -7.546 -11.707 -12.562
No H/Q in entry = 410
Contact the webmaster for help, if required. Friday, May 3, 2024 2:56:18 PM GMT (wattos1)