Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22229 | 2jn0 RC | 15079 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ASP 4 H ASP 4 6.729 -1.903 9.094
2 HA ASP 4 HA ASP 4 5.522 -1.636 11.687
3 1HB ASP 4 2HB ASP 4 7.040 0.054 10.332
4 2HB ASP 4 1HB ASP 4 5.483 0.599 9.708
5 H TYR 5 H TYR 5 3.554 0.200 11.472
6 HA TYR 5 HA TYR 5 1.465 -1.433 10.166
7 1HB TYR 5 2HB TYR 5 1.147 0.059 12.772
8 2HB TYR 5 1HB TYR 5 0.063 -1.144 12.077
9 HD1 TYR 5 HD1 TYR 5 0.958 -3.541 11.845
10 HD2 TYR 5 HD2 TYR 5 2.829 -0.581 14.261
11 HE1 TYR 5 HE1 TYR 5 2.135 -5.305 13.095
12 HE2 TYR 5 HE2 TYR 5 4.006 -2.334 15.514
13 HH TYR 5 HH TYR 5 3.728 -4.708 16.038
14 H VAL 6 H VAL 6 2.921 1.320 9.670
15 HA VAL 6 HA VAL 6 0.424 2.639 8.882
16 HB VAL 6 HB VAL 6 1.644 4.862 9.172
17 1HG1 VAL 6 1HG1 VAL 6 -0.226 4.171 10.558
18 2HG1 VAL 6 2HG1 VAL 6 0.981 5.024 11.523
19 3HG1 VAL 6 3HG1 VAL 6 0.868 3.266 11.606
20 1HG2 VAL 6 1HG2 VAL 6 3.359 3.156 10.974
21 2HG2 VAL 6 2HG2 VAL 6 3.364 4.918 10.921
22 3HG2 VAL 6 3HG2 VAL 6 3.892 3.993 9.515
23 H MET 7 H MET 7 0.309 3.327 6.873
24 HA MET 7 HA MET 7 2.746 3.146 5.229
25 1HB MET 7 2HB MET 7 1.062 1.488 4.620
26 2HB MET 7 1HB MET 7 -0.152 2.747 4.454
27 1HG MET 7 2HG MET 7 0.993 3.674 2.558
28 2HG MET 7 1HG MET 7 2.329 2.543 2.767
29 1HE MET 7 1HE MET 7 -1.465 2.937 1.805
30 2HE MET 7 2HE MET 7 -1.515 1.812 3.164
31 3HE MET 7 3HE MET 7 -1.934 1.257 1.543
32 H ALA 8 H ALA 8 3.496 5.210 5.249
33 HA ALA 8 HA ALA 8 1.740 7.439 4.700
34 1HB ALA 8 1HB ALA 8 3.806 8.771 4.630
35 2HB ALA 8 2HB ALA 8 4.760 7.294 4.756
36 3HB ALA 8 3HB ALA 8 3.721 7.789 6.092
37 H THR 9 H THR 9 1.156 8.091 2.720
38 HA THR 9 HA THR 9 2.316 6.565 0.499
39 HB THR 9 HB THR 9 0.186 7.183 -0.695
40 HG1 THR 9 HG1 THR 9 -0.770 7.786 1.914
41 1HG2 THR 9 1HG2 THR 9 -1.150 5.482 0.462
42 2HG2 THR 9 2HG2 THR 9 -0.063 5.572 1.848
43 3HG2 THR 9 3HG2 THR 9 0.532 4.972 0.299
44 H LYS 10 H LYS 10 1.743 7.726 -1.655
45 HA LYS 10 HA LYS 10 3.583 9.663 -2.198
46 1HB LYS 10 2HB LYS 10 2.350 8.243 -3.819
47 2HB LYS 10 1HB LYS 10 0.928 9.245 -3.580
48 1HG LYS 10 2HG LYS 10 2.019 11.132 -4.576
49 2HG LYS 10 1HG LYS 10 3.550 10.251 -4.664
50 1HD LYS 10 2HD LYS 10 2.417 10.251 -6.833
51 2HD LYS 10 1HD LYS 10 2.520 8.615 -6.172
52 1HE LYS 10 2HE LYS 10 0.188 9.011 -5.235
53 2HE LYS 10 1HE LYS 10 0.129 10.441 -6.263
54 1HZ LYS 10 1HZ LYS 10 0.545 8.971 -8.183
55 2HZ LYS 10 2HZ LYS 10 -0.908 8.623 -7.380
56 3HZ LYS 10 3HZ LYS 10 0.440 7.623 -7.150
57 H ASP 11 H ASP 11 0.181 10.148 -1.356
58 HA ASP 11 HA ASP 11 0.281 12.976 -1.821
59 1HB ASP 11 2HB ASP 11 -1.819 11.194 -0.587
60 2HB ASP 11 1HB ASP 11 -2.022 12.931 -0.793
61 H GLY 12 H GLY 12 1.512 11.147 0.609
62 1HA GLY 12 2HA GLY 12 2.580 11.968 2.512
63 2HA GLY 12 1HA GLY 12 1.662 13.458 2.361
64 H ARG 13 H ARG 13 -0.648 11.247 2.040
65 HA ARG 13 HA ARG 13 -1.564 11.597 4.730
66 1HB ARG 13 2HB ARG 13 -3.519 10.234 4.009
67 2HB ARG 13 1HB ARG 13 -3.209 11.614 2.964
68 1HG ARG 13 2HG ARG 13 -2.141 10.152 1.342
69 2HG ARG 13 1HG ARG 13 -2.426 8.766 2.389
70 1HD ARG 13 2HD ARG 13 -4.087 8.917 0.588
71 2HD ARG 13 1HD ARG 13 -4.820 9.056 2.185
72 HE ARG 13 HE ARG 13 -4.987 11.459 1.794
73 1HH1 ARG 13 1HH1 ARG 13 -4.441 9.411 -0.999
74 2HH1 ARG 13 2HH1 ARG 13 -5.114 10.549 -2.126
75 1HH2 ARG 13 1HH2 ARG 13 -5.850 12.964 0.315
76 2HH2 ARG 13 2HH2 ARG 13 -5.933 12.565 -1.378
77 H MET 14 H MET 14 -1.534 10.233 6.383
78 HA MET 14 HA MET 14 0.068 7.813 6.108
79 1HB MET 14 2HB MET 14 0.627 9.337 7.942
80 2HB MET 14 1HB MET 14 -1.009 9.197 8.574
81 1HG MET 14 2HG MET 14 -0.616 6.772 8.911
82 2HG MET 14 1HG MET 14 1.056 7.013 8.410
83 1HE MET 14 1HE MET 14 2.803 8.513 9.769
84 2HE MET 14 2HE MET 14 2.382 9.400 11.234
85 3HE MET 14 3HE MET 14 1.678 9.869 9.687
86 H ILE 15 H ILE 15 -0.943 5.989 5.661
87 HA ILE 15 HA ILE 15 -3.728 5.651 6.466
88 HB ILE 15 HB ILE 15 -1.985 4.001 4.627
89 1HG1 ILE 15 2HG1 ILE 15 -4.309 5.859 4.054
90 2HG1 ILE 15 1HG1 ILE 15 -2.614 6.197 3.722
91 1HG2 ILE 15 1HG2 ILE 15 -3.604 2.571 5.726
92 2HG2 ILE 15 2HG2 ILE 15 -4.049 2.800 4.034
93 3HG2 ILE 15 3HG2 ILE 15 -4.907 3.680 5.300
94 1HD1 ILE 15 1HD1 ILE 15 -3.802 5.548 1.708
95 2HD1 ILE 15 2HD1 ILE 15 -4.255 4.017 2.456
96 3HD1 ILE 15 3HD1 ILE 15 -2.561 4.366 2.117
97 H LEU 16 H LEU 16 -4.275 4.497 8.163
98 HA LEU 16 HA LEU 16 -2.329 3.071 9.703
99 1HB LEU 16 2HB LEU 16 -5.337 3.238 9.972
100 2HB LEU 16 1HB LEU 16 -4.287 2.430 11.116
101 HG LEU 16 HG LEU 16 -4.829 4.512 12.076
102 1HD1 LEU 16 1HD1 LEU 16 -2.685 5.661 12.234
103 2HD1 LEU 16 2HD1 LEU 16 -2.105 4.780 10.820
104 3HD1 LEU 16 3HD1 LEU 16 -2.487 3.910 12.307
105 1HD2 LEU 16 1HD2 LEU 16 -5.690 5.656 10.116
106 2HD2 LEU 16 2HD2 LEU 16 -4.058 5.809 9.463
107 3HD2 LEU 16 3HD2 LEU 16 -4.500 6.666 10.940
108 H THR 17 H THR 17 -1.620 1.163 9.102
109 HA THR 17 HA THR 17 -3.426 -0.621 7.613
110 HB THR 17 HB THR 17 -1.163 -1.722 6.943
111 HG1 THR 17 HG1 THR 17 -0.196 0.082 8.511
112 1HG2 THR 17 1HG2 THR 17 -1.853 1.012 5.855
113 2HG2 THR 17 2HG2 THR 17 -2.668 -0.485 5.413
114 3HG2 THR 17 3HG2 THR 17 -0.965 -0.261 5.016
115 H ASP 18 H ASP 18 -3.424 -2.842 8.092
116 HA ASP 18 HA ASP 18 -2.710 -3.790 10.672
117 1HB ASP 18 2HB ASP 18 -4.339 -5.044 9.462
118 2HB ASP 18 1HB ASP 18 -3.324 -5.129 8.029
119 H GLY 19 H GLY 19 -1.107 -3.261 7.719
120 1HA GLY 19 2HA GLY 19 1.168 -2.681 7.592
121 2HA GLY 19 1HA GLY 19 1.472 -3.640 9.036
122 H LYS 20 H LYS 20 3.299 -4.231 7.269
123 HA LYS 20 HA LYS 20 4.208 -6.234 6.642
124 1HB LYS 20 2HB LYS 20 1.603 -7.484 7.517
125 2HB LYS 20 1HB LYS 20 3.163 -8.279 7.360
126 1HG LYS 20 2HG LYS 20 4.043 -6.840 9.167
127 2HG LYS 20 1HG LYS 20 2.434 -6.144 9.355
128 1HD LYS 20 2HD LYS 20 2.527 -7.784 11.010
129 2HD LYS 20 1HD LYS 20 1.647 -8.567 9.695
130 1HE LYS 20 2HE LYS 20 3.261 -10.113 10.562
131 2HE LYS 20 1HE LYS 20 3.788 -9.594 8.961
132 1HZ LYS 20 1HZ LYS 20 5.646 -9.595 10.458
133 2HZ LYS 20 2HZ LYS 20 4.821 -8.608 11.570
134 3HZ LYS 20 3HZ LYS 20 5.278 -7.988 10.064
135 HA PRO 21 HA PRO 21 1.396 -6.065 2.909
136 1HB PRO 21 2HB PRO 21 2.624 -4.290 1.345
137 2HB PRO 21 1HB PRO 21 1.630 -3.777 2.714
138 1HG PRO 21 2HG PRO 21 4.599 -3.899 2.468
139 2HG PRO 21 1HG PRO 21 3.589 -2.712 3.311
140 1HD PRO 21 2HD PRO 21 4.921 -4.875 4.494
141 2HD PRO 21 1HD PRO 21 3.621 -3.920 5.233
142 H GLU 22 H GLU 22 1.535 -7.119 0.995
143 HA GLU 22 HA GLU 22 4.133 -8.302 0.288
144 1HB GLU 22 2HB GLU 22 1.322 -9.299 0.143
145 2HB GLU 22 1HB GLU 22 2.479 -9.877 -1.046
146 1HG GLU 22 2HG GLU 22 2.736 -10.112 1.944
147 2HG GLU 22 1HG GLU 22 2.318 -11.408 0.823
148 H ILE 23 H ILE 23 5.060 -7.463 -1.451
149 HA ILE 23 HA ILE 23 3.429 -5.969 -3.365
150 HB ILE 23 HB ILE 23 6.443 -6.134 -3.144
151 1HG1 ILE 23 2HG1 ILE 23 4.517 -3.981 -2.235
152 2HG1 ILE 23 1HG1 ILE 23 5.476 -5.027 -1.193
153 1HG2 ILE 23 1HG2 ILE 23 5.736 -5.617 -5.403
154 2HG2 ILE 23 2HG2 ILE 23 6.428 -4.182 -4.648
155 3HG2 ILE 23 3HG2 ILE 23 4.679 -4.337 -4.806
156 1HD1 ILE 23 1HD1 ILE 23 6.441 -2.799 -1.359
157 2HD1 ILE 23 2HD1 ILE 23 6.570 -2.977 -3.110
158 3HD1 ILE 23 3HD1 ILE 23 7.521 -4.013 -2.045
159 H ASP 24 H ASP 24 2.915 -6.772 -5.289
160 HA ASP 24 HA ASP 24 4.196 -9.159 -6.317
161 1HB ASP 24 2HB ASP 24 2.080 -7.330 -7.474
162 2HB ASP 24 1HB ASP 24 2.734 -8.715 -8.339
163 H ASP 25 H ASP 25 6.282 -8.766 -6.858
164 HA ASP 25 HA ASP 25 7.101 -6.177 -7.787
165 1HB ASP 25 2HB ASP 25 9.355 -7.030 -7.660
166 2HB ASP 25 1HB ASP 25 8.470 -7.561 -6.234
167 H ASP 26 H ASP 26 5.648 -8.594 -9.394
168 HA ASP 26 HA ASP 26 7.282 -8.495 -11.788
169 1HB ASP 26 2HB ASP 26 5.715 -10.064 -12.738
170 2HB ASP 26 1HB ASP 26 6.086 -10.586 -11.098
171 H THR 27 H THR 27 4.826 -6.680 -10.368
172 HA THR 27 HA THR 27 4.461 -5.211 -12.877
173 HB THR 27 HB THR 27 2.462 -6.542 -12.720
174 HG1 THR 27 HG1 THR 27 2.304 -4.244 -13.290
175 1HG2 THR 27 1HG2 THR 27 2.069 -5.378 -9.964
176 2HG2 THR 27 2HG2 THR 27 2.514 -7.046 -10.327
177 3HG2 THR 27 3HG2 THR 27 0.937 -6.428 -10.818
178 H GLY 28 H GLY 28 4.346 -5.230 -9.361
179 1HA GLY 28 2HA GLY 28 5.325 -3.412 -8.139
180 2HA GLY 28 1HA GLY 28 4.826 -2.326 -9.428
181 H LEU 29 H LEU 29 2.733 -4.781 -8.051
182 HA LEU 29 HA LEU 29 1.060 -2.622 -6.975
183 1HB LEU 29 2HB LEU 29 0.297 -5.497 -7.518
184 2HB LEU 29 1HB LEU 29 -0.784 -4.218 -7.003
185 HG LEU 29 HG LEU 29 0.607 -4.448 -9.668
186 1HD1 LEU 29 1HD1 LEU 29 -2.308 -4.481 -8.905
187 2HD1 LEU 29 2HD1 LEU 29 -1.350 -5.872 -9.414
188 3HD1 LEU 29 3HD1 LEU 29 -1.668 -4.558 -10.547
189 1HD2 LEU 29 1HD2 LEU 29 -0.548 -2.392 -10.285
190 2HD2 LEU 29 2HD2 LEU 29 0.592 -2.124 -8.966
191 3HD2 LEU 29 3HD2 LEU 29 -1.138 -2.222 -8.631
192 H VAL 30 H VAL 30 0.628 -2.480 -4.839
193 HA VAL 30 HA VAL 30 2.113 -4.368 -3.136
194 HB VAL 30 HB VAL 30 1.278 -1.536 -2.502
195 1HG1 VAL 30 1HG1 VAL 30 3.082 -3.446 -1.019
196 2HG1 VAL 30 2HG1 VAL 30 1.483 -2.909 -0.506
197 3HG1 VAL 30 3HG1 VAL 30 2.813 -1.755 -0.596
198 1HG2 VAL 30 1HG2 VAL 30 3.709 -1.050 -2.734
199 2HG2 VAL 30 2HG2 VAL 30 2.923 -1.497 -4.244
200 3HG2 VAL 30 3HG2 VAL 30 3.926 -2.670 -3.391
201 H SER 31 H SER 31 0.846 -5.836 -2.259
202 HA SER 31 HA SER 31 -1.936 -5.295 -1.676
203 1HB SER 31 2HB SER 31 -0.279 -7.761 -1.128
204 2HB SER 31 1HB SER 31 -2.035 -7.656 -1.054
205 HG SER 31 HG SER 31 -0.336 -7.780 -3.259
206 H TYR 32 H TYR 32 -2.285 -4.063 0.079
207 HA TYR 32 HA TYR 32 -0.768 -4.671 2.543
208 1HB TYR 32 2HB TYR 32 -1.163 -2.420 3.264
209 2HB TYR 32 1HB TYR 32 -0.610 -2.321 1.592
210 HD1 TYR 32 HD2 TYR 32 -2.464 -2.136 -0.226
211 HD2 TYR 32 HD1 TYR 32 -3.121 -1.374 3.906
212 HE1 TYR 32 HE2 TYR 32 -4.493 -0.863 -0.785
213 HE2 TYR 32 HE1 TYR 32 -5.139 -0.092 3.355
214 HH TYR 32 HH TYR 32 -6.381 0.773 1.737
215 H HIS 33 H HIS 33 -2.166 -4.054 4.567
216 HA HIS 33 HA HIS 33 -4.937 -4.975 4.136
217 1HB HIS 33 2HB HIS 33 -3.255 -5.383 6.625
218 2HB HIS 33 1HB HIS 33 -4.909 -5.929 6.395
219 HD1 HIS 33 HD1 HIS 33 -2.316 -7.684 7.047
220 HD2 HIS 33 HD2 HIS 33 -4.260 -7.337 3.377
221 HE1 HIS 33 HE1 HIS 33 -1.730 -9.772 5.759
222 HE2 HIS 33 HE2 HIS 33 -2.863 -9.513 3.517
223 H ASP 34 H ASP 34 -6.301 -3.337 4.431
224 HA ASP 34 HA ASP 34 -5.598 -1.005 5.929
225 1HB ASP 34 2HB ASP 34 -7.675 -1.722 4.102
226 2HB ASP 34 1HB ASP 34 -8.407 -1.056 5.560
227 H GLN 35 H GLN 35 -7.376 -0.149 7.475
228 HA GLN 35 HA GLN 35 -7.074 -1.494 9.891
229 1HB GLN 35 2HB GLN 35 -9.243 0.487 9.179
230 2HB GLN 35 1HB GLN 35 -8.664 0.109 10.797
231 1HG GLN 35 2HG GLN 35 -6.520 1.073 10.309
232 2HG GLN 35 1HG GLN 35 -6.977 1.329 8.625
233 1HE2 GLN 35 1HE2 GLN 35 -8.446 2.954 8.113
234 2HE2 GLN 35 2HE2 GLN 35 -8.792 4.244 9.221
235 H GLN 36 H GLN 36 -9.571 -1.747 7.472
236 HA GLN 36 HA GLN 36 -11.458 -3.050 9.216
237 1HB GLN 36 2HB GLN 36 -11.545 -2.877 6.200
238 2HB GLN 36 1HB GLN 36 -12.885 -3.222 7.280
239 1HG GLN 36 2HG GLN 36 -13.200 -1.008 6.616
240 2HG GLN 36 1HG GLN 36 -12.511 -0.893 8.234
241 1HE2 GLN 36 1HE2 GLN 36 -11.732 1.186 7.881
242 2HE2 GLN 36 2HE2 GLN 36 -10.375 1.502 6.845
243 H GLY 37 H GLY 37 -8.653 -4.092 7.964
244 1HA GLY 37 2HA GLY 37 -7.797 -6.240 7.801
245 2HA GLY 37 1HA GLY 37 -9.412 -6.870 8.108
246 H ASN 38 H ASN 38 -8.537 -4.579 5.614
247 HA ASN 38 HA ASN 38 -9.546 -6.477 3.619
248 1HB ASN 38 2HB ASN 38 -9.272 -3.465 3.548
249 2HB ASN 38 1HB ASN 38 -9.772 -4.435 2.168
250 1HD2 ASN 38 1HD2 ASN 38 -11.180 -2.345 3.665
251 2HD2 ASN 38 2HD2 ASN 38 -12.663 -3.073 4.197
252 H ALA 39 H ALA 39 -8.192 -7.391 2.245
253 HA ALA 39 HA ALA 39 -5.457 -6.392 2.040
254 1HB ALA 39 1HB ALA 39 -5.809 -8.800 2.367
255 2HB ALA 39 2HB ALA 39 -4.983 -8.461 0.845
256 3HB ALA 39 3HB ALA 39 -6.699 -8.870 0.846
257 H MET 40 H MET 40 -5.372 -4.671 0.736
258 HA MET 40 HA MET 40 -6.577 -4.928 -1.937
259 1HB MET 40 2HB MET 40 -6.394 -2.463 -0.190
260 2HB MET 40 1HB MET 40 -6.838 -2.426 -1.894
261 1HG MET 40 2HG MET 40 -8.747 -3.873 -1.418
262 2HG MET 40 1HG MET 40 -8.314 -3.885 0.289
263 1HE MET 40 1HE MET 40 -8.891 -2.018 1.962
264 2HE MET 40 2HE MET 40 -9.161 -0.339 1.491
265 3HE MET 40 3HE MET 40 -7.610 -1.110 1.158
266 H GLN 41 H GLN 41 -5.480 -3.630 -3.610
267 HA GLN 41 HA GLN 41 -2.574 -3.648 -3.087
268 1HB GLN 41 2HB GLN 41 -4.146 -4.277 -5.590
269 2HB GLN 41 1HB GLN 41 -2.399 -4.063 -5.572
270 1HG GLN 41 2HG GLN 41 -2.112 -5.945 -4.137
271 2HG GLN 41 1HG GLN 41 -3.851 -6.091 -3.890
272 1HE2 GLN 41 1HE2 GLN 41 -3.795 -8.225 -4.603
273 2HE2 GLN 41 2HE2 GLN 41 -3.628 -8.633 -6.274
274 H ILE 42 H ILE 42 -1.580 -1.723 -3.198
275 HA ILE 42 HA ILE 42 -2.842 0.375 -4.842
276 HB ILE 42 HB ILE 42 -1.789 2.067 -3.556
277 1HG1 ILE 42 2HG1 ILE 42 -0.413 0.045 -1.799
278 2HG1 ILE 42 1HG1 ILE 42 0.361 0.681 -3.249
279 1HG2 ILE 42 1HG2 ILE 42 -2.630 1.623 -1.265
280 2HG2 ILE 42 2HG2 ILE 42 -2.899 -0.056 -1.734
281 3HG2 ILE 42 3HG2 ILE 42 -3.791 1.237 -2.536
282 1HD1 ILE 42 1HD1 ILE 42 -0.674 2.357 -0.982
283 2HD1 ILE 42 2HD1 ILE 42 0.231 2.917 -2.390
284 3HD1 ILE 42 3HD1 ILE 42 1.005 1.870 -1.200
285 H ASN 43 H ASN 43 -0.950 2.066 -5.417
286 HA ASN 43 HA ASN 43 0.719 0.581 -7.259
287 1HB ASN 43 2HB ASN 43 -0.624 2.701 -7.787
288 2HB ASN 43 1HB ASN 43 0.609 3.573 -6.893
289 1HD2 ASN 43 1HD2 ASN 43 -0.202 3.637 -9.732
290 2HD2 ASN 43 2HD2 ASN 43 1.252 3.358 -10.634
291 H ARG 44 H ARG 44 2.908 0.377 -7.128
292 HA ARG 44 HA ARG 44 4.271 0.669 -4.715
293 1HB ARG 44 2HB ARG 44 6.363 0.513 -6.193
294 2HB ARG 44 1HB ARG 44 5.231 -0.832 -6.231
295 1HG ARG 44 2HG ARG 44 4.631 -0.447 -8.378
296 2HG ARG 44 1HG ARG 44 4.826 1.301 -8.238
297 1HD ARG 44 2HD ARG 44 7.247 -0.414 -8.077
298 2HD ARG 44 1HD ARG 44 6.496 -0.169 -9.656
299 HE ARG 44 HE ARG 44 6.670 2.333 -8.934
300 1HH1 ARG 44 1HH1 ARG 44 9.039 -0.187 -8.325
301 2HH1 ARG 44 2HH1 ARG 44 10.392 0.900 -8.401
302 1HH2 ARG 44 1HH2 ARG 44 8.445 3.755 -8.982
303 2HH2 ARG 44 2HH2 ARG 44 10.053 3.135 -8.762
304 H ASP 45 H ASP 45 3.954 2.912 -7.413
305 HA ASP 45 HA ASP 45 5.942 4.734 -6.480
306 1HB ASP 45 2HB ASP 45 3.736 4.915 -8.508
307 2HB ASP 45 1HB ASP 45 4.668 6.342 -8.063
308 H ASP 46 H ASP 46 2.723 4.094 -5.599
309 HA ASP 46 HA ASP 46 2.267 6.689 -4.392
310 1HB ASP 46 2HB ASP 46 0.650 4.171 -4.646
311 2HB ASP 46 1HB ASP 46 0.190 5.403 -3.474
312 H VAL 47 H VAL 47 3.797 3.796 -3.572
313 HA VAL 47 HA VAL 47 3.420 4.046 -0.716
314 HB VAL 47 HB VAL 47 5.555 2.436 -2.121
315 1HG1 VAL 47 1HG1 VAL 47 4.214 2.114 0.555
316 2HG1 VAL 47 2HG1 VAL 47 5.845 2.727 0.281
317 3HG1 VAL 47 3HG1 VAL 47 5.453 1.053 -0.113
318 1HG2 VAL 47 1HG2 VAL 47 2.765 1.557 -1.417
319 2HG2 VAL 47 2HG2 VAL 47 4.044 0.542 -2.073
320 3HG2 VAL 47 3HG2 VAL 47 3.370 1.847 -3.047
321 H SER 48 H SER 48 4.437 5.551 0.443
322 HA SER 48 HA SER 48 6.862 6.740 -0.695
323 1HB SER 48 2HB SER 48 5.038 8.318 -0.451
324 2HB SER 48 1HB SER 48 4.830 7.881 1.242
325 HG SER 48 HG SER 48 6.062 9.857 0.795
326 H GLN 49 H GLN 49 5.547 6.434 2.629
327 HA GLN 49 HA GLN 49 8.232 5.533 3.431
328 1HB GLN 49 2HB GLN 49 6.473 7.581 4.763
329 2HB GLN 49 1HB GLN 49 7.787 6.776 5.608
330 1HG GLN 49 2HG GLN 49 8.060 8.459 3.129
331 2HG GLN 49 1HG GLN 49 8.446 8.964 4.773
332 1HE2 GLN 49 1HE2 GLN 49 10.252 8.073 5.806
333 2HE2 GLN 49 2HE2 GLN 49 11.525 7.312 4.907
334 H ILE 50 H ILE 50 8.017 3.488 3.966
335 HA ILE 50 HA ILE 50 5.841 2.690 5.780
336 HB ILE 50 HB ILE 50 7.832 0.947 4.300
337 1HG1 ILE 50 2HG1 ILE 50 6.240 2.033 2.769
338 2HG1 ILE 50 1HG1 ILE 50 5.953 0.300 2.868
339 1HG2 ILE 50 1HG2 ILE 50 6.389 -0.918 4.984
340 2HG2 ILE 50 2HG2 ILE 50 5.406 0.201 5.928
341 3HG2 ILE 50 3HG2 ILE 50 7.091 -0.078 6.366
342 1HD1 ILE 50 1HD1 ILE 50 4.375 2.437 4.276
343 2HD1 ILE 50 2HD1 ILE 50 4.087 0.701 4.387
344 3HD1 ILE 50 3HD1 ILE 50 3.873 1.532 2.847
345 H ILE 51 H ILE 51 9.290 2.204 5.256
346 HA ILE 51 HA ILE 51 10.189 3.059 7.749
347 HB ILE 51 HB ILE 51 8.996 0.926 8.471
348 1HG1 ILE 51 2HG1 ILE 51 11.987 0.985 8.926
349 2HG1 ILE 51 1HG1 ILE 51 10.817 1.976 9.789
350 1HG2 ILE 51 1HG2 ILE 51 11.229 -0.387 6.926
351 2HG2 ILE 51 2HG2 ILE 51 9.511 -0.448 6.533
352 3HG2 ILE 51 3HG2 ILE 51 10.106 -1.212 8.007
353 1HD1 ILE 51 1HD1 ILE 51 11.506 0.079 11.126
354 2HD1 ILE 51 2HD1 ILE 51 10.990 -1.028 9.854
355 3HD1 ILE 51 3HD1 ILE 51 9.798 -0.050 10.707
356 H GLU 52 H GLU 52 12.611 2.128 7.977
357 HA GLU 52 HA GLU 52 13.880 2.599 5.482
358 1HB GLU 52 2HB GLU 52 14.937 3.194 7.621
359 2HB GLU 52 1HB GLU 52 15.051 1.490 8.041
360 1HG GLU 52 2HG GLU 52 16.655 1.078 6.381
361 2HG GLU 52 1HG GLU 52 16.331 2.612 5.573
362 H ARG 53 H ARG 53 13.808 1.239 3.874
363 HA ARG 53 HA ARG 53 13.448 -1.614 4.399
364 1HB ARG 53 2HB ARG 53 13.187 -0.054 1.816
365 2HB ARG 53 1HB ARG 53 12.747 -1.743 2.050
366 1HG ARG 53 2HG ARG 53 11.040 -1.095 3.651
367 2HG ARG 53 1HG ARG 53 11.494 0.597 3.471
368 1HD ARG 53 2HD ARG 53 10.389 -1.180 1.301
369 2HD ARG 53 1HD ARG 53 9.484 0.040 2.190
370 HE ARG 53 HE ARG 53 11.065 0.464 -0.098
371 1HH1 ARG 53 1HH1 ARG 53 10.569 1.978 3.036
372 2HH1 ARG 53 2HH1 ARG 53 10.753 3.585 2.419
373 1HH2 ARG 53 1HH2 ARG 53 11.300 2.595 -0.890
374 2HH2 ARG 53 2HH2 ARG 53 11.156 3.943 0.206
Start of MODEL 2
1 H ASP 4 H ASP 4 0.665 1.169 15.316
2 HA ASP 4 HA ASP 4 2.549 -0.959 16.095
3 1HB ASP 4 2HB ASP 4 0.131 -1.132 14.280
4 2HB ASP 4 1HB ASP 4 1.160 -2.476 14.764
5 H TYR 5 H TYR 5 1.018 -0.233 12.996
6 HA TYR 5 HA TYR 5 3.640 0.368 11.822
7 1HB TYR 5 2HB TYR 5 1.622 -1.583 10.673
8 2HB TYR 5 1HB TYR 5 3.084 -1.040 9.856
9 HD1 TYR 5 HD2 TYR 5 5.298 -1.775 10.664
10 HD2 TYR 5 HD1 TYR 5 1.703 -3.261 12.388
11 HE1 TYR 5 HE2 TYR 5 6.561 -3.617 11.695
12 HE2 TYR 5 HE1 TYR 5 2.954 -5.106 13.424
13 HH TYR 5 HH TYR 5 5.062 -6.330 13.078
14 H VAL 6 H VAL 6 3.154 1.075 9.392
15 HA VAL 6 HA VAL 6 0.688 2.318 8.839
16 HB VAL 6 HB VAL 6 1.344 3.819 10.680
17 1HG1 VAL 6 1HG1 VAL 6 3.740 4.491 8.978
18 2HG1 VAL 6 2HG1 VAL 6 3.766 3.608 10.505
19 3HG1 VAL 6 3HG1 VAL 6 3.271 5.302 10.472
20 1HG2 VAL 6 1HG2 VAL 6 1.449 5.120 7.961
21 2HG2 VAL 6 2HG2 VAL 6 1.120 5.954 9.479
22 3HG2 VAL 6 3HG2 VAL 6 -0.003 4.732 8.884
23 H MET 7 H MET 7 0.602 2.908 6.735
24 HA MET 7 HA MET 7 3.164 3.169 5.310
25 1HB MET 7 2HB MET 7 2.025 1.092 4.658
26 2HB MET 7 1HB MET 7 0.577 2.005 4.253
27 1HG MET 7 2HG MET 7 1.870 3.205 2.518
28 2HG MET 7 1HG MET 7 3.257 2.185 2.894
29 1HE MET 7 1HE MET 7 -0.345 2.370 1.422
30 2HE MET 7 2HE MET 7 -0.575 1.215 2.736
31 3HE MET 7 3HE MET 7 -0.697 0.682 1.056
32 H ALA 8 H ALA 8 3.403 5.280 5.069
33 HA ALA 8 HA ALA 8 1.099 6.922 4.336
34 1HB ALA 8 1HB ALA 8 2.583 8.833 4.691
35 2HB ALA 8 2HB ALA 8 3.932 7.738 4.995
36 3HB ALA 8 3HB ALA 8 2.559 7.778 6.102
37 H THR 9 H THR 9 0.689 7.331 2.285
38 HA THR 9 HA THR 9 2.569 6.413 0.285
39 HB THR 9 HB THR 9 0.719 6.904 -1.311
40 HG1 THR 9 HG1 THR 9 -1.208 7.644 -0.565
41 1HG2 THR 9 1HG2 THR 9 -0.018 5.180 1.055
42 2HG2 THR 9 2HG2 THR 9 0.961 4.683 -0.325
43 3HG2 THR 9 3HG2 THR 9 -0.741 5.086 -0.551
44 H LYS 10 H LYS 10 2.660 7.771 -1.783
45 HA LYS 10 HA LYS 10 3.986 10.197 -1.236
46 1HB LYS 10 2HB LYS 10 4.303 8.729 -3.260
47 2HB LYS 10 1HB LYS 10 2.780 9.350 -3.877
48 1HG LYS 10 2HG LYS 10 3.670 11.562 -4.023
49 2HG LYS 10 1HG LYS 10 5.157 11.068 -3.216
50 1HD LYS 10 2HD LYS 10 5.535 11.257 -5.597
51 2HD LYS 10 1HD LYS 10 5.660 9.571 -5.105
52 1HE LYS 10 2HE LYS 10 3.134 10.747 -6.246
53 2HE LYS 10 1HE LYS 10 4.397 10.067 -7.261
54 1HZ LYS 10 1HZ LYS 10 4.114 7.955 -5.995
55 2HZ LYS 10 2HZ LYS 10 2.763 8.407 -6.912
56 3HZ LYS 10 3HZ LYS 10 2.756 8.639 -5.234
57 H ASP 11 H ASP 11 0.689 9.400 -1.904
58 HA ASP 11 HA ASP 11 -0.430 11.840 -2.586
59 1HB ASP 11 2HB ASP 11 -1.701 9.756 -2.554
60 2HB ASP 11 1HB ASP 11 -1.546 9.663 -0.803
61 H GLY 12 H GLY 12 0.740 10.694 0.501
62 1HA GLY 12 2HA GLY 12 1.512 12.218 2.159
63 2HA GLY 12 1HA GLY 12 0.343 13.395 1.577
64 H ARG 13 H ARG 13 -0.841 10.215 1.883
65 HA ARG 13 HA ARG 13 -2.270 11.020 4.316
66 1HB ARG 13 2HB ARG 13 -3.952 9.345 3.694
67 2HB ARG 13 1HB ARG 13 -3.727 10.543 2.429
68 1HG ARG 13 2HG ARG 13 -2.367 8.985 1.163
69 2HG ARG 13 1HG ARG 13 -2.530 7.780 2.441
70 1HD ARG 13 2HD ARG 13 -4.752 8.937 0.764
71 2HD ARG 13 1HD ARG 13 -4.076 7.316 0.631
72 HE ARG 13 HE ARG 13 -4.943 7.532 3.236
73 1HH1 ARG 13 1HH1 ARG 13 -6.417 7.888 0.082
74 2HH1 ARG 13 2HH1 ARG 13 -7.966 7.283 0.586
75 1HH2 ARG 13 1HH2 ARG 13 -6.973 6.791 3.930
76 2HH2 ARG 13 2HH2 ARG 13 -8.297 6.679 2.804
77 H MET 14 H MET 14 -2.385 9.676 6.084
78 HA MET 14 HA MET 14 -0.295 7.620 6.188
79 1HB MET 14 2HB MET 14 -1.785 9.095 8.363
80 2HB MET 14 1HB MET 14 -0.714 7.740 8.685
81 1HG MET 14 2HG MET 14 0.503 9.725 9.099
82 2HG MET 14 1HG MET 14 1.123 9.031 7.603
83 1HE MET 14 1HE MET 14 2.333 11.292 6.996
84 2HE MET 14 2HE MET 14 1.753 12.008 8.500
85 3HE MET 14 3HE MET 14 1.535 12.864 6.972
86 H ILE 15 H ILE 15 -1.090 5.722 5.518
87 HA ILE 15 HA ILE 15 -3.759 4.897 6.387
88 HB ILE 15 HB ILE 15 -1.861 3.453 4.525
89 1HG1 ILE 15 2HG1 ILE 15 -4.228 5.217 3.851
90 2HG1 ILE 15 1HG1 ILE 15 -2.539 5.666 3.636
91 1HG2 ILE 15 1HG2 ILE 15 -3.500 1.993 5.561
92 2HG2 ILE 15 2HG2 ILE 15 -3.878 2.214 3.852
93 3HG2 ILE 15 3HG2 ILE 15 -4.802 3.081 5.081
94 1HD1 ILE 15 1HD1 ILE 15 -3.541 4.977 1.539
95 2HD1 ILE 15 2HD1 ILE 15 -3.962 3.415 2.236
96 3HD1 ILE 15 3HD1 ILE 15 -2.268 3.856 2.020
97 H LEU 16 H LEU 16 -3.878 3.883 8.289
98 HA LEU 16 HA LEU 16 -1.630 2.605 9.503
99 1HB LEU 16 2HB LEU 16 -4.565 2.559 10.227
100 2HB LEU 16 1HB LEU 16 -3.313 1.789 11.179
101 HG LEU 16 HG LEU 16 -3.780 3.812 12.271
102 1HD1 LEU 16 1HD1 LEU 16 -1.409 3.373 12.100
103 2HD1 LEU 16 2HD1 LEU 16 -1.716 5.110 12.072
104 3HD1 LEU 16 3HD1 LEU 16 -1.332 4.258 10.576
105 1HD2 LEU 16 1HD2 LEU 16 -5.029 4.876 10.442
106 2HD2 LEU 16 2HD2 LEU 16 -3.503 5.269 9.647
107 3HD2 LEU 16 3HD2 LEU 16 -3.891 5.980 11.214
108 H THR 17 H THR 17 -0.863 0.940 8.353
109 HA THR 17 HA THR 17 -2.735 -1.034 7.274
110 HB THR 17 HB THR 17 -0.664 -1.789 5.992
111 HG1 THR 17 HG1 THR 17 0.885 -0.716 7.321
112 1HG2 THR 17 1HG2 THR 17 -1.667 1.026 5.543
113 2HG2 THR 17 2HG2 THR 17 -2.441 -0.451 4.962
114 3HG2 THR 17 3HG2 THR 17 -0.856 0.018 4.346
115 H ASP 18 H ASP 18 -2.167 -3.286 7.370
116 HA ASP 18 HA ASP 18 -1.137 -4.301 9.794
117 1HB ASP 18 2HB ASP 18 -2.611 -5.420 7.934
118 2HB ASP 18 1HB ASP 18 -1.065 -5.842 7.207
119 H GLY 19 H GLY 19 0.905 -5.559 10.019
120 1HA GLY 19 2HA GLY 19 3.087 -4.034 8.823
121 2HA GLY 19 1HA GLY 19 3.240 -5.257 10.083
122 H LYS 20 H LYS 20 2.791 -4.800 6.571
123 HA LYS 20 HA LYS 20 3.781 -7.210 5.695
124 1HB LYS 20 2HB LYS 20 1.697 -7.755 7.424
125 2HB LYS 20 1HB LYS 20 0.938 -7.861 5.841
126 1HG LYS 20 2HG LYS 20 3.338 -9.408 6.797
127 2HG LYS 20 1HG LYS 20 1.716 -10.039 6.509
128 1HD LYS 20 2HD LYS 20 1.937 -9.533 4.131
129 2HD LYS 20 1HD LYS 20 3.543 -8.862 4.418
130 1HE LYS 20 2HE LYS 20 4.219 -11.101 5.315
131 2HE LYS 20 1HE LYS 20 2.664 -11.722 4.766
132 1HZ LYS 20 1HZ LYS 20 4.702 -10.456 3.024
133 2HZ LYS 20 2HZ LYS 20 3.234 -11.142 2.513
134 3HZ LYS 20 3HZ LYS 20 4.451 -12.124 3.174
135 HA PRO 21 HA PRO 21 1.391 -4.741 2.455
136 1HB PRO 21 2HB PRO 21 3.910 -3.542 1.627
137 2HB PRO 21 1HB PRO 21 2.397 -2.744 2.064
138 1HG PRO 21 2HG PRO 21 4.645 -2.610 3.582
139 2HG PRO 21 1HG PRO 21 3.011 -2.503 4.254
140 1HD PRO 21 2HD PRO 21 4.888 -4.833 4.206
141 2HD PRO 21 1HD PRO 21 3.796 -4.286 5.497
142 H GLU 22 H GLU 22 1.122 -6.386 1.084
143 HA GLU 22 HA GLU 22 3.284 -8.113 0.327
144 1HB GLU 22 2HB GLU 22 0.686 -8.582 0.627
145 2HB GLU 22 1HB GLU 22 0.652 -8.165 -1.081
146 1HG GLU 22 2HG GLU 22 0.832 -10.550 -0.817
147 2HG GLU 22 1HG GLU 22 2.316 -9.909 -1.526
148 H ILE 23 H ILE 23 4.765 -7.233 -0.961
149 HA ILE 23 HA ILE 23 3.921 -5.435 -3.103
150 HB ILE 23 HB ILE 23 6.728 -6.105 -2.202
151 1HG1 ILE 23 2HG1 ILE 23 4.972 -3.736 -1.501
152 2HG1 ILE 23 1HG1 ILE 23 5.410 -5.041 -0.407
153 1HG2 ILE 23 1HG2 ILE 23 5.671 -3.879 -3.947
154 2HG2 ILE 23 2HG2 ILE 23 6.616 -5.267 -4.486
155 3HG2 ILE 23 3HG2 ILE 23 7.345 -4.068 -3.420
156 1HD1 ILE 23 1HD1 ILE 23 7.321 -3.083 -1.655
157 2HD1 ILE 23 2HD1 ILE 23 7.750 -4.384 -0.544
158 3HD1 ILE 23 3HD1 ILE 23 6.736 -3.051 0.008
159 H ASP 24 H ASP 24 3.288 -6.502 -4.852
160 HA ASP 24 HA ASP 24 4.702 -8.850 -5.795
161 1HB ASP 24 2HB ASP 24 2.250 -8.636 -6.105
162 2HB ASP 24 1HB ASP 24 2.516 -7.229 -7.130
163 H ASP 25 H ASP 25 6.634 -8.565 -6.695
164 HA ASP 25 HA ASP 25 7.499 -5.974 -7.563
165 1HB ASP 25 2HB ASP 25 8.956 -7.645 -6.393
166 2HB ASP 25 1HB ASP 25 8.941 -8.615 -7.862
167 H ASP 26 H ASP 26 5.871 -8.472 -9.059
168 HA ASP 26 HA ASP 26 6.962 -8.143 -11.695
169 1HB ASP 26 2HB ASP 26 6.067 -10.301 -11.086
170 2HB ASP 26 1HB ASP 26 4.504 -9.591 -10.697
171 H THR 27 H THR 27 3.769 -7.467 -10.266
172 HA THR 27 HA THR 27 3.058 -5.783 -12.511
173 HB THR 27 HB THR 27 0.948 -5.400 -11.199
174 HG1 THR 27 HG1 THR 27 2.052 -7.373 -9.447
175 1HG2 THR 27 1HG2 THR 27 1.092 -7.203 -12.845
176 2HG2 THR 27 2HG2 THR 27 0.094 -7.683 -11.472
177 3HG2 THR 27 3HG2 THR 27 1.745 -8.283 -11.612
178 H GLY 28 H GLY 28 4.273 -5.405 -9.274
179 1HA GLY 28 2HA GLY 28 5.339 -3.471 -8.466
180 2HA GLY 28 1HA GLY 28 4.549 -2.533 -9.725
181 H LEU 29 H LEU 29 2.515 -4.689 -8.064
182 HA LEU 29 HA LEU 29 1.191 -2.420 -6.796
183 1HB LEU 29 2HB LEU 29 0.322 -5.138 -7.648
184 2HB LEU 29 1HB LEU 29 -0.550 -4.359 -6.343
185 HG LEU 29 HG LEU 29 -1.014 -2.436 -7.844
186 1HD1 LEU 29 1HD1 LEU 29 0.247 -4.192 -9.944
187 2HD1 LEU 29 2HD1 LEU 29 0.831 -2.623 -9.387
188 3HD1 LEU 29 3HD1 LEU 29 -0.693 -2.735 -10.264
189 1HD2 LEU 29 1HD2 LEU 29 -2.643 -4.212 -7.534
190 2HD2 LEU 29 2HD2 LEU 29 -1.921 -5.124 -8.858
191 3HD2 LEU 29 3HD2 LEU 29 -2.707 -3.578 -9.177
192 H VAL 30 H VAL 30 0.707 -2.290 -4.674
193 HA VAL 30 HA VAL 30 1.998 -4.243 -2.881
194 HB VAL 30 HB VAL 30 1.431 -1.311 -2.388
195 1HG1 VAL 30 1HG1 VAL 30 1.196 -2.602 -0.348
196 2HG1 VAL 30 2HG1 VAL 30 2.661 -1.621 -0.292
197 3HG1 VAL 30 3HG1 VAL 30 2.769 -3.352 -0.618
198 1HG2 VAL 30 1HG2 VAL 30 3.866 -1.059 -2.340
199 2HG2 VAL 30 2HG2 VAL 30 3.298 -1.635 -3.908
200 3HG2 VAL 30 3HG2 VAL 30 4.047 -2.760 -2.773
201 H SER 31 H SER 31 0.459 -5.575 -2.165
202 HA SER 31 HA SER 31 -2.243 -4.625 -1.672
203 1HB SER 31 2HB SER 31 -1.113 -7.374 -1.137
204 2HB SER 31 1HB SER 31 -2.806 -6.934 -1.341
205 HG SER 31 HG SER 31 -1.144 -7.759 -3.191
206 H TYR 32 H TYR 32 -2.751 -3.734 0.210
207 HA TYR 32 HA TYR 32 -1.197 -4.510 2.589
208 1HB TYR 32 2HB TYR 32 -1.658 -2.227 3.462
209 2HB TYR 32 1HB TYR 32 -0.689 -2.220 1.994
210 HD1 TYR 32 HD1 TYR 32 -1.833 -1.678 -0.200
211 HD2 TYR 32 HD2 TYR 32 -3.710 -1.050 3.564
212 HE1 TYR 32 HE1 TYR 32 -3.429 -0.141 -1.254
213 HE2 TYR 32 HE2 TYR 32 -5.312 0.495 2.509
214 HH TYR 32 HH TYR 32 -5.711 0.734 -0.823
215 H HIS 33 H HIS 33 -2.266 -4.980 4.438
216 HA HIS 33 HA HIS 33 -5.148 -5.357 4.209
217 1HB HIS 33 2HB HIS 33 -3.951 -7.301 4.939
218 2HB HIS 33 1HB HIS 33 -3.087 -6.392 6.167
219 HD1 HIS 33 HD1 HIS 33 -3.879 -7.011 8.410
220 HD2 HIS 33 HD2 HIS 33 -6.957 -7.067 5.608
221 HE1 HIS 33 HE1 HIS 33 -5.937 -7.693 9.676
222 HE2 HIS 33 HE2 HIS 33 -7.711 -7.979 7.913
223 H ASP 34 H ASP 34 -6.431 -3.853 4.901
224 HA ASP 34 HA ASP 34 -5.739 -1.699 6.593
225 1HB ASP 34 2HB ASP 34 -8.395 -2.856 5.746
226 2HB ASP 34 1HB ASP 34 -8.273 -1.442 6.782
227 H GLN 35 H GLN 35 -6.607 -1.222 8.718
228 HA GLN 35 HA GLN 35 -6.864 -3.411 10.546
229 1HB GLN 35 2HB GLN 35 -7.818 -0.552 10.894
230 2HB GLN 35 1HB GLN 35 -7.591 -1.734 12.175
231 1HG GLN 35 2HG GLN 35 -5.167 -1.774 11.608
232 2HG GLN 35 1HG GLN 35 -5.463 -0.447 10.484
233 1HE2 GLN 35 1HE2 GLN 35 -6.104 1.573 11.316
234 2HE2 GLN 35 2HE2 GLN 35 -5.778 2.013 12.955
235 H GLN 36 H GLN 36 -8.803 -1.909 8.270
236 HA GLN 36 HA GLN 36 -11.395 -2.475 9.323
237 1HB GLN 36 2HB GLN 36 -10.899 -0.658 7.719
238 2HB GLN 36 1HB GLN 36 -10.470 -1.855 6.513
239 1HG GLN 36 2HG GLN 36 -12.738 -2.652 6.434
240 2HG GLN 36 1HG GLN 36 -13.194 -1.564 7.746
241 1HE2 GLN 36 1HE2 GLN 36 -10.954 -0.559 5.272
242 2HE2 GLN 36 2HE2 GLN 36 -12.024 0.542 4.476
243 H GLY 37 H GLY 37 -8.956 -4.332 7.927
244 1HA GLY 37 2HA GLY 37 -8.951 -6.641 7.649
245 2HA GLY 37 1HA GLY 37 -10.702 -6.640 7.805
246 H ASN 38 H ASN 38 -8.807 -4.703 5.560
247 HA ASN 38 HA ASN 38 -9.996 -6.247 3.340
248 1HB ASN 38 2HB ASN 38 -9.440 -3.283 3.538
249 2HB ASN 38 1HB ASN 38 -9.791 -4.094 2.019
250 1HD2 ASN 38 1HD2 ASN 38 -11.193 -1.985 3.446
251 2HD2 ASN 38 2HD2 ASN 38 -12.815 -2.554 3.660
252 H ALA 39 H ALA 39 -8.692 -6.663 1.557
253 HA ALA 39 HA ALA 39 -5.865 -5.884 1.829
254 1HB ALA 39 1HB ALA 39 -7.061 -8.103 0.167
255 2HB ALA 39 2HB ALA 39 -6.237 -8.308 1.712
256 3HB ALA 39 3HB ALA 39 -5.344 -7.720 0.308
257 H MET 40 H MET 40 -5.865 -3.895 0.908
258 HA MET 40 HA MET 40 -7.004 -3.658 -1.793
259 1HB MET 40 2HB MET 40 -6.155 -1.450 0.102
260 2HB MET 40 1HB MET 40 -6.917 -1.232 -1.470
261 1HG MET 40 2HG MET 40 -8.841 -2.606 -0.532
262 2HG MET 40 1HG MET 40 -8.108 -2.340 1.046
263 1HE MET 40 1HE MET 40 -8.097 -0.099 2.316
264 2HE MET 40 2HE MET 40 -8.486 1.465 1.595
265 3HE MET 40 3HE MET 40 -7.055 0.579 1.065
266 H GLN 41 H GLN 41 -5.696 -2.341 -3.361
267 HA GLN 41 HA GLN 41 -2.830 -2.926 -2.934
268 1HB GLN 41 2HB GLN 41 -4.244 -3.089 -5.597
269 2HB GLN 41 1HB GLN 41 -2.603 -3.591 -5.225
270 1HG GLN 41 2HG GLN 41 -3.585 -5.619 -5.217
271 2HG GLN 41 1HG GLN 41 -3.894 -5.184 -3.538
272 1HE2 GLN 41 1HE2 GLN 41 -5.257 -5.574 -6.696
273 2HE2 GLN 41 2HE2 GLN 41 -6.915 -5.558 -6.214
274 H ILE 42 H ILE 42 -1.510 -1.219 -3.175
275 HA ILE 42 HA ILE 42 -2.367 0.917 -5.021
276 HB ILE 42 HB ILE 42 -0.852 2.465 -3.964
277 1HG1 ILE 42 2HG1 ILE 42 -0.166 0.470 -1.822
278 2HG1 ILE 42 1HG1 ILE 42 0.788 0.561 -3.301
279 1HG2 ILE 42 1HG2 ILE 42 -2.363 1.118 -1.748
280 2HG2 ILE 42 2HG2 ILE 42 -3.124 2.129 -2.975
281 3HG2 ILE 42 3HG2 ILE 42 -1.927 2.819 -1.877
282 1HD1 ILE 42 1HD1 ILE 42 1.374 2.828 -2.855
283 2HD1 ILE 42 2HD1 ILE 42 1.708 1.862 -1.414
284 3HD1 ILE 42 3HD1 ILE 42 0.277 2.889 -1.472
285 H ASN 43 H ASN 43 -0.192 2.047 -5.871
286 HA ASN 43 HA ASN 43 1.448 -0.119 -6.958
287 1HB ASN 43 2HB ASN 43 0.633 2.540 -7.910
288 2HB ASN 43 1HB ASN 43 2.314 2.130 -8.223
289 1HD2 ASN 43 1HD2 ASN 43 2.798 0.400 -9.583
290 2HD2 ASN 43 2HD2 ASN 43 1.613 -0.287 -10.652
291 H ARG 44 H ARG 44 3.732 -0.015 -6.922
292 HA ARG 44 HA ARG 44 4.817 0.851 -4.469
293 1HB ARG 44 2HB ARG 44 5.727 -1.030 -5.832
294 2HB ARG 44 1HB ARG 44 6.344 0.146 -6.987
295 1HG ARG 44 2HG ARG 44 7.877 1.027 -5.408
296 2HG ARG 44 1HG ARG 44 7.108 0.157 -4.081
297 1HD ARG 44 2HD ARG 44 9.131 -0.982 -4.632
298 2HD ARG 44 1HD ARG 44 7.784 -1.977 -5.175
299 HE ARG 44 HE ARG 44 8.952 -0.236 -7.180
300 1HH1 ARG 44 1HH1 ARG 44 8.891 -3.416 -5.724
301 2HH1 ARG 44 2HH1 ARG 44 9.650 -4.206 -7.079
302 1HH2 ARG 44 1HH2 ARG 44 9.955 -1.262 -8.972
303 2HH2 ARG 44 2HH2 ARG 44 10.253 -2.972 -8.923
304 H ASP 45 H ASP 45 4.431 2.396 -7.519
305 HA ASP 45 HA ASP 45 6.293 4.484 -7.326
306 1HB ASP 45 2HB ASP 45 3.613 4.269 -8.677
307 2HB ASP 45 1HB ASP 45 4.547 5.757 -8.731
308 H ASP 46 H ASP 46 3.473 3.898 -5.455
309 HA ASP 46 HA ASP 46 3.408 6.736 -4.677
310 1HB ASP 46 2HB ASP 46 1.308 5.622 -5.682
311 2HB ASP 46 1HB ASP 46 1.162 4.820 -4.121
312 H VAL 47 H VAL 47 4.602 3.861 -3.632
313 HA VAL 47 HA VAL 47 3.944 4.125 -0.833
314 HB VAL 47 HB VAL 47 6.280 2.548 -1.919
315 1HG1 VAL 47 1HG1 VAL 47 4.522 2.126 0.495
316 2HG1 VAL 47 2HG1 VAL 47 6.114 2.886 0.524
317 3HG1 VAL 47 3HG1 VAL 47 5.953 1.192 0.058
318 1HG2 VAL 47 1HG2 VAL 47 3.470 1.519 -1.597
319 2HG2 VAL 47 2HG2 VAL 47 4.867 0.641 -2.214
320 3HG2 VAL 47 3HG2 VAL 47 4.179 1.977 -3.142
321 H SER 48 H SER 48 4.654 5.920 0.167
322 HA SER 48 HA SER 48 7.174 7.100 -0.686
323 1HB SER 48 2HB SER 48 5.240 8.565 -0.560
324 2HB SER 48 1HB SER 48 4.995 8.153 1.134
325 HG SER 48 HG SER 48 6.312 9.728 1.558
326 H GLN 49 H GLN 49 5.621 6.532 2.491
327 HA GLN 49 HA GLN 49 8.222 5.689 3.520
328 1HB GLN 49 2HB GLN 49 7.779 7.117 5.584
329 2HB GLN 49 1HB GLN 49 8.293 7.958 4.129
330 1HG GLN 49 2HG GLN 49 5.931 8.520 3.669
331 2HG GLN 49 1HG GLN 49 5.488 7.774 5.203
332 1HE2 GLN 49 1HE2 GLN 49 5.966 8.823 7.117
333 2HE2 GLN 49 2HE2 GLN 49 6.501 10.469 7.165
334 H ILE 50 H ILE 50 8.089 3.953 4.715
335 HA ILE 50 HA ILE 50 5.466 3.217 5.840
336 HB ILE 50 HB ILE 50 5.976 1.798 3.939
337 1HG1 ILE 50 2HG1 ILE 50 6.366 0.340 6.559
338 2HG1 ILE 50 1HG1 ILE 50 4.821 0.770 5.833
339 1HG2 ILE 50 1HG2 ILE 50 8.387 2.046 3.898
340 2HG2 ILE 50 2HG2 ILE 50 7.934 0.342 3.895
341 3HG2 ILE 50 3HG2 ILE 50 8.526 1.093 5.376
342 1HD1 ILE 50 1HD1 ILE 50 5.370 -0.674 3.909
343 2HD1 ILE 50 2HD1 ILE 50 5.269 -1.548 5.437
344 3HD1 ILE 50 3HD1 ILE 50 6.845 -1.167 4.743
345 H ILE 51 H ILE 51 8.873 3.540 6.294
346 HA ILE 51 HA ILE 51 10.145 3.676 8.159
347 HB ILE 51 HB ILE 51 7.474 3.466 9.523
348 1HG1 ILE 51 2HG1 ILE 51 8.199 5.752 10.360
349 2HG1 ILE 51 1HG1 ILE 51 9.550 5.643 9.242
350 1HG2 ILE 51 1HG2 ILE 51 10.151 3.648 10.902
351 2HG2 ILE 51 2HG2 ILE 51 9.031 2.288 10.970
352 3HG2 ILE 51 3HG2 ILE 51 8.579 3.839 11.682
353 1HD1 ILE 51 1HD1 ILE 51 7.726 6.972 8.335
354 2HD1 ILE 51 2HD1 ILE 51 6.639 5.591 8.482
355 3HD1 ILE 51 3HD1 ILE 51 8.006 5.523 7.369
356 H GLU 52 H GLU 52 11.551 2.122 8.460
357 HA GLU 52 HA GLU 52 10.789 -0.637 8.747
358 1HB GLU 52 2HB GLU 52 12.863 0.018 7.575
359 2HB GLU 52 1HB GLU 52 13.486 0.703 9.068
360 1HG GLU 52 2HG GLU 52 14.487 -1.446 8.685
361 2HG GLU 52 1HG GLU 52 13.428 -1.536 10.091
362 H ARG 53 H ARG 53 10.540 -1.742 10.609
363 HA ARG 53 HA ARG 53 10.099 -0.286 12.981
364 1HB ARG 53 2HB ARG 53 10.013 -2.789 13.917
365 2HB ARG 53 1HB ARG 53 8.708 -2.073 12.984
366 1HG ARG 53 2HG ARG 53 8.979 -4.157 12.014
367 2HG ARG 53 1HG ARG 53 9.887 -3.094 10.940
368 1HD ARG 53 2HD ARG 53 11.794 -3.822 12.750
369 2HD ARG 53 1HD ARG 53 10.811 -5.284 12.655
370 HE ARG 53 HE ARG 53 11.606 -4.092 10.120
371 1HH1 ARG 53 1HH1 ARG 53 12.176 -6.574 12.533
372 2HH1 ARG 53 2HH1 ARG 53 13.193 -7.518 11.492
373 1HH2 ARG 53 1HH2 ARG 53 12.950 -5.315 8.770
374 2HH2 ARG 53 2HH2 ARG 53 13.669 -6.785 9.357
Start of MODEL 3
1 H ASP 4 H ASP 4 5.762 4.570 14.317
2 HA ASP 4 HA ASP 4 8.257 3.616 13.127
3 1HB ASP 4 2HB ASP 4 7.898 3.708 15.638
4 2HB ASP 4 1HB ASP 4 6.724 2.410 15.449
5 H TYR 5 H TYR 5 5.011 3.315 12.675
6 HA TYR 5 HA TYR 5 5.324 0.896 11.076
7 1HB TYR 5 2HB TYR 5 3.105 1.305 13.100
8 2HB TYR 5 1HB TYR 5 3.136 0.025 11.894
9 HD1 TYR 5 HD1 TYR 5 5.224 -1.546 11.959
10 HD2 TYR 5 HD2 TYR 5 3.975 0.899 15.210
11 HE1 TYR 5 HE1 TYR 5 6.467 -2.989 13.515
12 HE2 TYR 5 HE2 TYR 5 5.217 -0.533 16.773
13 HH TYR 5 HH TYR 5 7.531 -2.763 15.782
14 H VAL 6 H VAL 6 2.566 0.727 10.451
15 HA VAL 6 HA VAL 6 1.008 1.417 9.006
16 HB VAL 6 HB VAL 6 0.014 3.492 9.174
17 1HG1 VAL 6 1HG1 VAL 6 -0.024 4.061 11.545
18 2HG1 VAL 6 2HG1 VAL 6 1.436 3.106 11.793
19 3HG1 VAL 6 3HG1 VAL 6 -0.056 2.318 11.281
20 1HG2 VAL 6 1HG2 VAL 6 2.602 4.722 10.117
21 2HG2 VAL 6 2HG2 VAL 6 1.061 5.561 9.933
22 3HG2 VAL 6 3HG2 VAL 6 1.885 4.910 8.516
23 H MET 7 H MET 7 0.622 3.169 7.101
24 HA MET 7 HA MET 7 3.157 3.330 5.629
25 1HB MET 7 2HB MET 7 1.979 1.289 4.933
26 2HB MET 7 1HB MET 7 0.562 2.247 4.525
27 1HG MET 7 2HG MET 7 1.858 3.424 2.816
28 2HG MET 7 1HG MET 7 3.266 2.440 3.216
29 1HE MET 7 1HE MET 7 -0.516 1.276 3.059
30 2HE MET 7 2HE MET 7 -0.625 0.771 1.376
31 3HE MET 7 3HE MET 7 -0.365 2.470 1.770
32 H ALA 8 H ALA 8 3.449 5.426 5.344
33 HA ALA 8 HA ALA 8 1.242 7.182 4.629
34 1HB ALA 8 1HB ALA 8 2.922 8.952 4.626
35 2HB ALA 8 2HB ALA 8 4.204 7.753 4.813
36 3HB ALA 8 3HB ALA 8 3.030 8.000 6.108
37 H THR 9 H THR 9 0.915 8.034 2.576
38 HA THR 9 HA THR 9 2.431 6.656 0.465
39 HB THR 9 HB THR 9 0.336 7.020 -0.921
40 HG1 THR 9 HG1 THR 9 -0.939 7.242 1.604
41 1HG2 THR 9 1HG2 THR 9 0.987 4.827 -0.003
42 2HG2 THR 9 2HG2 THR 9 -0.763 5.032 -0.028
43 3HG2 THR 9 3HG2 THR 9 0.122 5.204 1.488
44 H LYS 10 H LYS 10 2.435 7.717 -1.634
45 HA LYS 10 HA LYS 10 3.671 10.202 -1.607
46 1HB LYS 10 2HB LYS 10 3.878 8.534 -3.409
47 2HB LYS 10 1HB LYS 10 2.215 8.836 -3.880
48 1HG LYS 10 2HG LYS 10 2.758 11.065 -4.589
49 2HG LYS 10 1HG LYS 10 4.398 10.906 -3.953
50 1HD LYS 10 2HD LYS 10 4.358 10.592 -6.382
51 2HD LYS 10 1HD LYS 10 4.848 9.112 -5.552
52 1HE LYS 10 2HE LYS 10 2.524 8.291 -5.721
53 2HE LYS 10 1HE LYS 10 2.106 9.736 -6.636
54 1HZ LYS 10 1HZ LYS 10 4.191 7.806 -7.498
55 2HZ LYS 10 2HZ LYS 10 3.498 9.061 -8.409
56 3HZ LYS 10 3HZ LYS 10 2.569 7.710 -7.977
57 H ASP 11 H ASP 11 0.309 9.354 -2.229
58 HA ASP 11 HA ASP 11 -0.680 11.783 -3.123
59 1HB ASP 11 2HB ASP 11 -1.981 9.708 -3.127
60 2HB ASP 11 1HB ASP 11 -2.045 9.731 -1.369
61 H GLY 12 H GLY 12 0.141 10.777 0.117
62 1HA GLY 12 2HA GLY 12 0.665 12.364 1.819
63 2HA GLY 12 1HA GLY 12 -0.435 13.498 1.049
64 H ARG 13 H ARG 13 -0.679 10.172 2.259
65 HA ARG 13 HA ARG 13 -2.647 10.996 4.214
66 1HB ARG 13 2HB ARG 13 -4.344 9.382 3.445
67 2HB ARG 13 1HB ARG 13 -4.038 10.622 2.236
68 1HG ARG 13 2HG ARG 13 -2.288 8.723 1.449
69 2HG ARG 13 1HG ARG 13 -3.567 7.723 2.136
70 1HD ARG 13 2HD ARG 13 -3.954 9.864 0.054
71 2HD ARG 13 1HD ARG 13 -3.849 8.139 -0.276
72 HE ARG 13 HE ARG 13 -5.886 8.087 1.343
73 1HH1 ARG 13 1HH1 ARG 13 -5.173 10.600 -1.008
74 2HH1 ARG 13 2HH1 ARG 13 -6.850 10.900 -1.380
75 1HH2 ARG 13 1HH2 ARG 13 -8.091 8.513 0.875
76 2HH2 ARG 13 2HH2 ARG 13 -8.498 9.751 -0.278
77 H MET 14 H MET 14 -2.565 9.744 5.992
78 HA MET 14 HA MET 14 -0.520 7.664 6.013
79 1HB MET 14 2HB MET 14 -0.389 9.391 7.739
80 2HB MET 14 1HB MET 14 -2.014 8.997 8.284
81 1HG MET 14 2HG MET 14 -1.216 6.728 8.860
82 2HG MET 14 1HG MET 14 0.417 7.233 8.432
83 1HE MET 14 1HE MET 14 1.764 9.146 9.746
84 2HE MET 14 2HE MET 14 1.091 10.039 11.110
85 3HE MET 14 3HE MET 14 0.420 10.260 9.495
86 H ILE 15 H ILE 15 -1.171 5.671 5.575
87 HA ILE 15 HA ILE 15 -3.923 4.913 6.185
88 HB ILE 15 HB ILE 15 -1.827 3.413 4.608
89 1HG1 ILE 15 2HG1 ILE 15 -4.192 5.053 3.661
90 2HG1 ILE 15 1HG1 ILE 15 -2.507 5.547 3.553
91 1HG2 ILE 15 1HG2 ILE 15 -3.705 2.041 3.847
92 2HG2 ILE 15 2HG2 ILE 15 -4.794 2.941 4.902
93 3HG2 ILE 15 3HG2 ILE 15 -3.511 1.949 5.598
94 1HD1 ILE 15 1HD1 ILE 15 -2.056 3.693 2.039
95 2HD1 ILE 15 2HD1 ILE 15 -3.339 4.734 1.421
96 3HD1 ILE 15 3HD1 ILE 15 -3.740 3.181 2.157
97 H LEU 16 H LEU 16 -4.366 3.889 7.989
98 HA LEU 16 HA LEU 16 -2.342 2.753 9.664
99 1HB LEU 16 2HB LEU 16 -4.712 3.830 10.212
100 2HB LEU 16 1HB LEU 16 -5.249 2.172 10.045
101 HG LEU 16 HG LEU 16 -4.867 2.708 12.381
102 1HD1 LEU 16 1HD1 LEU 16 -3.328 0.920 12.993
103 2HD1 LEU 16 2HD1 LEU 16 -2.741 0.850 11.330
104 3HD1 LEU 16 3HD1 LEU 16 -4.414 0.422 11.696
105 1HD2 LEU 16 1HD2 LEU 16 -3.236 4.489 12.067
106 2HD2 LEU 16 2HD2 LEU 16 -2.027 3.304 11.571
107 3HD2 LEU 16 3HD2 LEU 16 -2.657 3.286 13.219
108 H THR 17 H THR 17 -1.383 0.943 8.989
109 HA THR 17 HA THR 17 -2.912 -1.010 7.454
110 HB THR 17 HB THR 17 -0.567 -2.000 7.078
111 HG1 THR 17 HG1 THR 17 1.039 -0.174 7.379
112 1HG2 THR 17 1HG2 THR 17 -1.784 -0.650 5.396
113 2HG2 THR 17 2HG2 THR 17 -0.046 -0.375 5.333
114 3HG2 THR 17 3HG2 THR 17 -1.098 0.816 6.094
115 H ASP 18 H ASP 18 -3.252 -3.079 8.090
116 HA ASP 18 HA ASP 18 -2.834 -4.017 10.719
117 1HB ASP 18 2HB ASP 18 -4.461 -5.184 9.475
118 2HB ASP 18 1HB ASP 18 -3.412 -5.336 8.073
119 H GLY 19 H GLY 19 -1.095 -4.465 7.707
120 1HA GLY 19 2HA GLY 19 1.392 -3.888 8.268
121 2HA GLY 19 1HA GLY 19 1.277 -5.429 9.122
122 H LYS 20 H LYS 20 3.134 -5.517 7.159
123 HA LYS 20 HA LYS 20 3.628 -7.172 5.677
124 1HB LYS 20 2HB LYS 20 0.746 -7.955 6.055
125 2HB LYS 20 1HB LYS 20 1.885 -8.856 5.065
126 1HG LYS 20 2HG LYS 20 3.319 -9.127 7.094
127 2HG LYS 20 1HG LYS 20 2.018 -8.394 8.038
128 1HD LYS 20 2HD LYS 20 0.503 -10.172 7.341
129 2HD LYS 20 1HD LYS 20 1.783 -10.895 6.367
130 1HE LYS 20 2HE LYS 20 3.119 -11.196 8.435
131 2HE LYS 20 1HE LYS 20 1.757 -10.576 9.366
132 1HZ LYS 20 1HZ LYS 20 1.711 -12.961 9.394
133 2HZ LYS 20 2HZ LYS 20 1.787 -13.036 7.699
134 3HZ LYS 20 3HZ LYS 20 0.407 -12.410 8.459
135 HA PRO 21 HA PRO 21 2.010 -4.777 2.147
136 1HB PRO 21 2HB PRO 21 4.368 -3.812 1.282
137 2HB PRO 21 1HB PRO 21 3.446 -3.018 2.563
138 1HG PRO 21 2HG PRO 21 5.866 -4.738 2.756
139 2HG PRO 21 1HG PRO 21 5.401 -3.335 3.730
140 1HD PRO 21 2HD PRO 21 5.101 -6.001 4.480
141 2HD PRO 21 1HD PRO 21 4.261 -4.620 5.213
142 H GLU 22 H GLU 22 1.505 -6.747 1.167
143 HA GLU 22 HA GLU 22 3.588 -8.453 0.142
144 1HB GLU 22 2HB GLU 22 0.613 -8.541 -0.406
145 2HB GLU 22 1HB GLU 22 1.773 -9.832 -0.698
146 1HG GLU 22 2HG GLU 22 2.161 -10.073 1.675
147 2HG GLU 22 1HG GLU 22 1.096 -8.710 2.012
148 H ILE 23 H ILE 23 4.744 -7.176 -1.242
149 HA ILE 23 HA ILE 23 3.434 -5.648 -3.300
150 HB ILE 23 HB ILE 23 6.386 -6.185 -2.938
151 1HG1 ILE 23 2HG1 ILE 23 4.641 -3.932 -1.915
152 2HG1 ILE 23 1HG1 ILE 23 5.494 -5.120 -0.949
153 1HG2 ILE 23 1HG2 ILE 23 6.661 -4.143 -4.294
154 2HG2 ILE 23 2HG2 ILE 23 4.914 -4.083 -4.526
155 3HG2 ILE 23 3HG2 ILE 23 5.843 -5.431 -5.179
156 1HD1 ILE 23 1HD1 ILE 23 6.623 -2.973 -0.918
157 2HD1 ILE 23 2HD1 ILE 23 6.783 -3.024 -2.674
158 3HD1 ILE 23 3HD1 ILE 23 7.628 -4.208 -1.677
159 H ASP 24 H ASP 24 2.485 -6.843 -4.823
160 HA ASP 24 HA ASP 24 3.672 -9.199 -5.943
161 1HB ASP 24 2HB ASP 24 1.349 -7.503 -6.899
162 2HB ASP 24 1HB ASP 24 1.812 -9.053 -7.592
163 H ASP 25 H ASP 25 5.584 -8.854 -6.892
164 HA ASP 25 HA ASP 25 6.172 -6.360 -8.183
165 1HB ASP 25 2HB ASP 25 7.815 -7.585 -6.787
166 2HB ASP 25 1HB ASP 25 7.859 -8.860 -7.999
167 H ASP 26 H ASP 26 4.485 -8.928 -9.285
168 HA ASP 26 HA ASP 26 5.536 -9.188 -11.918
169 1HB ASP 26 2HB ASP 26 3.565 -10.373 -12.461
170 2HB ASP 26 1HB ASP 26 3.834 -10.738 -10.761
171 H THR 27 H THR 27 3.379 -7.001 -10.313
172 HA THR 27 HA THR 27 3.199 -5.397 -12.771
173 HB THR 27 HB THR 27 0.992 -6.118 -12.200
174 HG1 THR 27 HG1 THR 27 1.698 -3.522 -12.078
175 1HG2 THR 27 1HG2 THR 27 1.338 -6.783 -9.895
176 2HG2 THR 27 2HG2 THR 27 -0.024 -5.667 -10.001
177 3HG2 THR 27 3HG2 THR 27 1.539 -5.097 -9.417
178 H GLY 28 H GLY 28 4.006 -5.480 -9.394
179 1HA GLY 28 2HA GLY 28 5.547 -3.994 -8.399
180 2HA GLY 28 1HA GLY 28 5.180 -2.811 -9.650
181 H LEU 29 H LEU 29 2.662 -4.509 -7.947
182 HA LEU 29 HA LEU 29 1.891 -1.963 -6.703
183 1HB LEU 29 2HB LEU 29 0.164 -4.371 -7.284
184 2HB LEU 29 1HB LEU 29 -0.384 -2.847 -6.615
185 HG LEU 29 HG LEU 29 0.645 -3.338 -9.408
186 1HD1 LEU 29 1HD1 LEU 29 -2.045 -2.474 -8.351
187 2HD1 LEU 29 2HD1 LEU 29 -1.647 -4.047 -9.044
188 3HD1 LEU 29 3HD1 LEU 29 -1.605 -2.603 -10.055
189 1HD2 LEU 29 1HD2 LEU 29 1.465 -1.182 -8.586
190 2HD2 LEU 29 2HD2 LEU 29 -0.180 -0.722 -8.146
191 3HD2 LEU 29 3HD2 LEU 29 0.242 -0.978 -9.839
192 H VAL 30 H VAL 30 1.130 -1.955 -4.564
193 HA VAL 30 HA VAL 30 2.354 -4.075 -2.935
194 HB VAL 30 HB VAL 30 1.545 -1.280 -2.112
195 1HG1 VAL 30 1HG1 VAL 30 3.153 -3.377 -0.656
196 2HG1 VAL 30 2HG1 VAL 30 1.517 -2.859 -0.254
197 3HG1 VAL 30 3HG1 VAL 30 2.863 -1.731 -0.092
198 1HG2 VAL 30 1HG2 VAL 30 4.260 -2.404 -2.788
199 2HG2 VAL 30 2HG2 VAL 30 3.970 -0.818 -2.078
200 3HG2 VAL 30 3HG2 VAL 30 3.370 -1.181 -3.696
201 H SER 31 H SER 31 0.839 -5.580 -2.534
202 HA SER 31 HA SER 31 -1.887 -4.842 -1.920
203 1HB SER 31 2HB SER 31 -0.536 -7.551 -1.780
204 2HB SER 31 1HB SER 31 -2.272 -7.246 -1.734
205 HG SER 31 HG SER 31 -0.721 -7.586 -3.874
206 H TYR 32 H TYR 32 -1.952 -3.736 -0.046
207 HA TYR 32 HA TYR 32 -0.568 -4.839 2.300
208 1HB TYR 32 2HB TYR 32 -0.734 -2.655 3.287
209 2HB TYR 32 1HB TYR 32 -0.152 -2.439 1.641
210 HD1 TYR 32 HD1 TYR 32 -1.949 -1.864 -0.152
211 HD2 TYR 32 HD2 TYR 32 -2.578 -1.458 4.033
212 HE1 TYR 32 HE1 TYR 32 -3.805 -0.306 -0.584
213 HE2 TYR 32 HE2 TYR 32 -4.423 0.107 3.610
214 HH TYR 32 HH TYR 32 -5.354 1.453 2.016
215 H HIS 33 H HIS 33 -1.884 -4.260 4.419
216 HA HIS 33 HA HIS 33 -4.675 -5.094 3.952
217 1HB HIS 33 2HB HIS 33 -3.102 -5.726 6.455
218 2HB HIS 33 1HB HIS 33 -4.636 -6.411 5.944
219 HD1 HIS 33 HD1 HIS 33 -1.779 -7.841 6.620
220 HD2 HIS 33 HD2 HIS 33 -3.621 -7.396 2.919
221 HE1 HIS 33 HE1 HIS 33 -0.802 -9.637 5.155
222 HE2 HIS 33 HE2 HIS 33 -1.781 -9.227 2.868
223 H ASP 34 H ASP 34 -6.180 -3.760 4.726
224 HA ASP 34 HA ASP 34 -5.520 -1.316 6.037
225 1HB ASP 34 2HB ASP 34 -8.213 -2.683 5.834
226 2HB ASP 34 1HB ASP 34 -7.946 -1.010 6.289
227 H GLN 35 H GLN 35 -6.216 -0.652 8.180
228 HA GLN 35 HA GLN 35 -6.291 -2.594 10.254
229 1HB GLN 35 2HB GLN 35 -7.041 -0.773 11.686
230 2HB GLN 35 1HB GLN 35 -5.763 -0.187 10.630
231 1HG GLN 35 2HG GLN 35 -7.428 0.834 9.170
232 2HG GLN 35 1HG GLN 35 -8.715 0.244 10.217
233 1HE2 GLN 35 1HE2 GLN 35 -8.098 2.958 9.475
234 2HE2 GLN 35 2HE2 GLN 35 -7.759 3.815 10.940
235 H GLN 36 H GLN 36 -8.487 -1.434 7.957
236 HA GLN 36 HA GLN 36 -10.946 -2.116 9.201
237 1HB GLN 36 2HB GLN 36 -10.702 -0.463 7.371
238 2HB GLN 36 1HB GLN 36 -10.255 -1.761 6.277
239 1HG GLN 36 2HG GLN 36 -12.440 -2.720 6.426
240 2HG GLN 36 1HG GLN 36 -12.901 -1.580 7.693
241 1HE2 GLN 36 1HE2 GLN 36 -10.972 -0.629 4.947
242 2HE2 GLN 36 2HE2 GLN 36 -12.180 0.351 4.191
243 H GLY 37 H GLY 37 -8.547 -3.833 7.335
244 1HA GLY 37 2HA GLY 37 -8.310 -6.181 7.739
245 2HA GLY 37 1HA GLY 37 -10.054 -6.286 7.908
246 H ASN 38 H ASN 38 -8.880 -4.434 5.226
247 HA ASN 38 HA ASN 38 -9.520 -6.707 3.451
248 1HB ASN 38 2HB ASN 38 -9.326 -3.870 2.468
249 2HB ASN 38 1HB ASN 38 -10.197 -5.226 1.767
250 1HD2 ASN 38 1HD2 ASN 38 -10.281 -2.586 3.908
251 2HD2 ASN 38 2HD2 ASN 38 -11.945 -2.745 4.388
252 H ALA 39 H ALA 39 -8.217 -6.961 1.520
253 HA ALA 39 HA ALA 39 -5.483 -5.917 1.842
254 1HB ALA 39 1HB ALA 39 -5.665 -8.362 1.813
255 2HB ALA 39 2HB ALA 39 -4.763 -7.762 0.420
256 3HB ALA 39 3HB ALA 39 -6.438 -8.283 0.230
257 H MET 40 H MET 40 -5.294 -4.076 0.730
258 HA MET 40 HA MET 40 -6.497 -3.970 -1.957
259 1HB MET 40 2HB MET 40 -5.927 -1.687 -0.052
260 2HB MET 40 1HB MET 40 -6.484 -1.486 -1.710
261 1HG MET 40 2HG MET 40 -8.421 -3.000 -1.010
262 2HG MET 40 1HG MET 40 -7.935 -2.638 0.637
263 1HE MET 40 1HE MET 40 -7.104 0.293 0.752
264 2HE MET 40 2HE MET 40 -8.322 -0.383 1.834
265 3HE MET 40 3HE MET 40 -8.632 1.137 0.995
266 H GLN 41 H GLN 41 -5.289 -2.630 -3.546
267 HA GLN 41 HA GLN 41 -2.404 -3.098 -3.134
268 1HB GLN 41 2HB GLN 41 -3.881 -3.150 -5.767
269 2HB GLN 41 1HB GLN 41 -2.200 -3.582 -5.489
270 1HG GLN 41 2HG GLN 41 -2.969 -5.462 -4.074
271 2HG GLN 41 1HG GLN 41 -4.630 -5.063 -4.513
272 1HE2 GLN 41 1HE2 GLN 41 -1.638 -6.425 -5.556
273 2HE2 GLN 41 2HE2 GLN 41 -2.205 -7.067 -7.063
274 H ILE 42 H ILE 42 -1.315 -1.244 -2.935
275 HA ILE 42 HA ILE 42 -2.187 1.048 -4.563
276 HB ILE 42 HB ILE 42 -0.910 2.508 -3.191
277 1HG1 ILE 42 2HG1 ILE 42 0.057 0.330 -1.381
278 2HG1 ILE 42 1HG1 ILE 42 0.939 0.651 -2.871
279 1HG2 ILE 42 1HG2 ILE 42 -1.894 2.164 -0.963
280 2HG2 ILE 42 2HG2 ILE 42 -2.353 0.529 -1.438
281 3HG2 ILE 42 3HG2 ILE 42 -3.060 1.919 -2.265
282 1HD1 ILE 42 1HD1 ILE 42 0.318 2.707 -0.772
283 2HD1 ILE 42 2HD1 ILE 42 1.313 2.923 -2.215
284 3HD1 ILE 42 3HD1 ILE 42 1.845 1.839 -0.926
285 H ASN 43 H ASN 43 -0.041 2.435 -5.090
286 HA ASN 43 HA ASN 43 1.515 0.673 -6.802
287 1HB ASN 43 2HB ASN 43 0.552 2.778 -7.676
288 2HB ASN 43 1HB ASN 43 1.533 3.685 -6.538
289 1HD2 ASN 43 1HD2 ASN 43 2.547 4.801 -8.157
290 2HD2 ASN 43 2HD2 ASN 43 3.746 4.078 -9.182
291 H ARG 44 H ARG 44 3.759 0.387 -6.637
292 HA ARG 44 HA ARG 44 4.825 0.592 -4.009
293 1HB ARG 44 2HB ARG 44 5.440 -1.186 -5.653
294 2HB ARG 44 1HB ARG 44 6.351 0.023 -6.552
295 1HG ARG 44 2HG ARG 44 7.829 0.366 -4.677
296 2HG ARG 44 1HG ARG 44 6.874 -0.737 -3.686
297 1HD ARG 44 2HD ARG 44 8.819 -1.899 -4.471
298 2HD ARG 44 1HD ARG 44 7.402 -2.550 -5.293
299 HE ARG 44 HE ARG 44 8.860 -0.457 -6.691
300 1HH1 ARG 44 1HH1 ARG 44 8.305 -3.888 -6.269
301 2HH1 ARG 44 2HH1 ARG 44 8.980 -4.329 -7.807
302 1HH2 ARG 44 1HH2 ARG 44 9.758 -1.014 -8.703
303 2HH2 ARG 44 2HH2 ARG 44 9.853 -2.688 -9.183
304 H ASP 45 H ASP 45 5.146 2.528 -6.913
305 HA ASP 45 HA ASP 45 7.221 4.222 -5.934
306 1HB ASP 45 2HB ASP 45 6.843 4.141 -8.303
307 2HB ASP 45 1HB ASP 45 5.151 4.582 -8.108
308 H ASP 46 H ASP 46 3.882 3.948 -5.330
309 HA ASP 46 HA ASP 46 3.559 6.667 -4.373
310 1HB ASP 46 2HB ASP 46 1.718 4.315 -4.666
311 2HB ASP 46 1HB ASP 46 1.260 5.677 -3.651
312 H VAL 47 H VAL 47 4.917 3.921 -3.129
313 HA VAL 47 HA VAL 47 3.956 4.194 -0.420
314 HB VAL 47 HB VAL 47 6.445 2.708 -1.278
315 1HG1 VAL 47 1HG1 VAL 47 6.095 3.103 1.139
316 2HG1 VAL 47 2HG1 VAL 47 6.068 1.392 0.702
317 3HG1 VAL 47 3HG1 VAL 47 4.556 2.245 1.023
318 1HG2 VAL 47 1HG2 VAL 47 4.588 1.923 -2.651
319 2HG2 VAL 47 2HG2 VAL 47 3.617 1.669 -1.202
320 3HG2 VAL 47 3HG2 VAL 47 5.063 0.698 -1.475
321 H SER 48 H SER 48 4.459 6.046 0.573
322 HA SER 48 HA SER 48 7.006 7.337 -0.000
323 1HB SER 48 2HB SER 48 4.988 8.704 -0.120
324 2HB SER 48 1HB SER 48 4.584 8.297 1.544
325 HG SER 48 HG SER 48 7.103 9.298 1.352
326 H GLN 49 H GLN 49 5.281 5.803 2.647
327 HA GLN 49 HA GLN 49 7.789 5.523 4.058
328 1HB GLN 49 2HB GLN 49 7.050 7.635 4.974
329 2HB GLN 49 1HB GLN 49 5.442 6.995 5.274
330 1HG GLN 49 2HG GLN 49 7.644 5.543 6.575
331 2HG GLN 49 1HG GLN 49 7.375 7.191 7.140
332 1HE2 GLN 49 1HE2 GLN 49 6.799 6.188 9.157
333 2HE2 GLN 49 2HE2 GLN 49 5.218 5.527 9.382
334 H ILE 50 H ILE 50 7.803 3.835 5.525
335 HA ILE 50 HA ILE 50 5.522 2.541 6.508
336 HB ILE 50 HB ILE 50 5.272 1.733 4.193
337 1HG1 ILE 50 2HG1 ILE 50 6.178 -0.478 6.047
338 2HG1 ILE 50 1HG1 ILE 50 4.614 0.320 6.141
339 1HG2 ILE 50 1HG2 ILE 50 6.908 0.233 3.190
340 2HG2 ILE 50 2HG2 ILE 50 7.972 0.447 4.580
341 3HG2 ILE 50 3HG2 ILE 50 7.621 1.812 3.521
342 1HD1 ILE 50 1HD1 ILE 50 4.070 -0.483 3.906
343 2HD1 ILE 50 2HD1 ILE 50 4.443 -1.808 5.009
344 3HD1 ILE 50 3HD1 ILE 50 5.636 -1.288 3.818
345 H ILE 51 H ILE 51 8.898 2.436 5.637
346 HA ILE 51 HA ILE 51 10.776 1.964 6.784
347 HB ILE 51 HB ILE 51 8.974 1.860 9.210
348 1HG1 ILE 51 2HG1 ILE 51 10.707 4.081 8.085
349 2HG1 ILE 51 1HG1 ILE 51 8.945 4.035 8.063
350 1HG2 ILE 51 1HG2 ILE 51 11.062 2.223 10.482
351 2HG2 ILE 51 2HG2 ILE 51 11.980 2.025 8.988
352 3HG2 ILE 51 3HG2 ILE 51 11.044 0.678 9.632
353 1HD1 ILE 51 1HD1 ILE 51 10.680 4.162 10.520
354 2HD1 ILE 51 2HD1 ILE 51 8.916 4.124 10.499
355 3HD1 ILE 51 3HD1 ILE 51 9.776 5.501 9.811
356 H GLU 52 H GLU 52 11.418 0.087 5.961
357 HA GLU 52 HA GLU 52 10.293 -2.384 7.053
358 1HB GLU 52 2HB GLU 52 10.426 -2.116 4.563
359 2HB GLU 52 1HB GLU 52 12.180 -2.085 4.713
360 1HG GLU 52 2HG GLU 52 11.951 -4.339 5.876
361 2HG GLU 52 1HG GLU 52 10.299 -4.351 5.262
362 H ARG 53 H ARG 53 11.382 -2.017 9.072
363 HA ARG 53 HA ARG 53 13.963 -3.324 9.062
364 1HB ARG 53 2HB ARG 53 14.136 -0.668 8.999
365 2HB ARG 53 1HB ARG 53 13.819 -0.840 10.719
366 1HG ARG 53 2HG ARG 53 16.035 -2.296 9.299
367 2HG ARG 53 1HG ARG 53 16.236 -0.712 10.050
368 1HD ARG 53 2HD ARG 53 15.268 -3.165 11.512
369 2HD ARG 53 1HD ARG 53 16.953 -2.647 11.464
370 HE ARG 53 HE ARG 53 15.382 -0.485 12.318
371 1HH1 ARG 53 1HH1 ARG 53 16.342 -3.667 13.429
372 2HH1 ARG 53 2HH1 ARG 53 16.365 -3.211 15.113
373 1HH2 ARG 53 1HH2 ARG 53 15.336 0.102 14.516
374 2HH2 ARG 53 2HH2 ARG 53 15.796 -1.055 15.729
Start of MODEL 4
1 H ASP 4 H ASP 4 2.028 1.571 15.917
2 HA ASP 4 HA ASP 4 3.512 3.574 14.364
3 1HB ASP 4 2HB ASP 4 4.479 0.948 15.512
4 2HB ASP 4 1HB ASP 4 5.476 2.168 14.725
5 H TYR 5 H TYR 5 1.218 1.714 13.573
6 HA TYR 5 HA TYR 5 2.526 0.427 11.280
7 1HB TYR 5 2HB TYR 5 -0.321 0.025 12.216
8 2HB TYR 5 1HB TYR 5 0.580 -0.965 11.073
9 HD1 TYR 5 HD1 TYR 5 2.821 -1.996 12.063
10 HD2 TYR 5 HD2 TYR 5 -0.512 -0.732 14.384
11 HE1 TYR 5 HE1 TYR 5 3.565 -3.442 13.907
12 HE2 TYR 5 HE2 TYR 5 0.221 -2.172 16.237
13 HH TYR 5 HH TYR 5 1.626 -4.252 16.521
14 H VAL 6 H VAL 6 2.721 2.055 9.789
15 HA VAL 6 HA VAL 6 0.314 3.395 8.888
16 HB VAL 6 HB VAL 6 1.522 5.657 9.014
17 1HG1 VAL 6 1HG1 VAL 6 0.735 6.074 11.313
18 2HG1 VAL 6 2HG1 VAL 6 0.531 4.335 11.533
19 3HG1 VAL 6 3HG1 VAL 6 -0.440 5.194 10.336
20 1HG2 VAL 6 1HG2 VAL 6 3.096 4.172 11.119
21 2HG2 VAL 6 2HG2 VAL 6 3.096 5.919 10.884
22 3HG2 VAL 6 3HG2 VAL 6 3.735 4.862 9.626
23 H MET 7 H MET 7 0.427 2.888 6.813
24 HA MET 7 HA MET 7 2.869 2.864 5.317
25 1HB MET 7 2HB MET 7 1.040 1.427 4.629
26 2HB MET 7 1HB MET 7 -0.026 2.814 4.436
27 1HG MET 7 2HG MET 7 1.380 3.636 2.613
28 2HG MET 7 1HG MET 7 2.437 2.240 2.802
29 1HE MET 7 1HE MET 7 -1.211 3.426 1.890
30 2HE MET 7 2HE MET 7 -1.489 2.214 3.141
31 3HE MET 7 3HE MET 7 -1.977 1.893 1.477
32 H ALA 8 H ALA 8 3.888 4.790 5.254
33 HA ALA 8 HA ALA 8 2.548 7.271 4.760
34 1HB ALA 8 1HB ALA 8 5.476 6.594 4.460
35 2HB ALA 8 2HB ALA 8 4.707 7.161 5.943
36 3HB ALA 8 3HB ALA 8 4.781 8.213 4.529
37 H THR 9 H THR 9 1.819 7.968 2.854
38 HA THR 9 HA THR 9 2.599 6.413 0.490
39 HB THR 9 HB THR 9 0.465 7.293 -0.483
40 HG1 THR 9 HG1 THR 9 -0.215 7.979 2.190
41 1HG2 THR 9 1HG2 THR 9 0.209 5.715 2.081
42 2HG2 THR 9 2HG2 THR 9 0.592 5.045 0.495
43 3HG2 THR 9 3HG2 THR 9 -0.987 5.777 0.785
44 H LYS 10 H LYS 10 2.288 7.634 -1.600
45 HA LYS 10 HA LYS 10 4.098 9.696 -1.948
46 1HB LYS 10 2HB LYS 10 3.278 8.322 -3.775
47 2HB LYS 10 1HB LYS 10 1.650 8.943 -3.555
48 1HG LYS 10 2HG LYS 10 2.306 11.109 -4.332
49 2HG LYS 10 1HG LYS 10 4.003 10.623 -4.386
50 1HD LYS 10 2HD LYS 10 2.971 10.592 -6.617
51 2HD LYS 10 1HD LYS 10 3.492 8.980 -6.116
52 1HE LYS 10 2HE LYS 10 1.181 8.493 -5.394
53 2HE LYS 10 1HE LYS 10 0.685 10.076 -5.989
54 1HZ LYS 10 1HZ LYS 10 1.862 7.918 -7.656
55 2HZ LYS 10 2HZ LYS 10 1.315 9.422 -8.212
56 3HZ LYS 10 3HZ LYS 10 0.214 8.303 -7.572
57 H ASP 11 H ASP 11 0.655 9.820 -1.288
58 HA ASP 11 HA ASP 11 0.273 12.581 -1.765
59 1HB ASP 11 2HB ASP 11 -1.544 10.887 -1.724
60 2HB ASP 11 1HB ASP 11 -1.333 10.735 0.016
61 H GLY 12 H GLY 12 1.727 10.877 0.796
62 1HA GLY 12 2HA GLY 12 3.012 11.910 2.470
63 2HA GLY 12 1HA GLY 12 2.058 13.372 2.268
64 H ARG 13 H ARG 13 -0.062 10.857 2.353
65 HA ARG 13 HA ARG 13 -0.676 11.446 5.146
66 1HB ARG 13 2HB ARG 13 -2.895 10.520 4.683
67 2HB ARG 13 1HB ARG 13 -2.484 11.807 3.560
68 1HG ARG 13 2HG ARG 13 -1.836 10.023 1.913
69 2HG ARG 13 1HG ARG 13 -2.533 8.848 3.030
70 1HD ARG 13 2HD ARG 13 -3.997 11.183 1.801
71 2HD ARG 13 1HD ARG 13 -4.112 9.510 1.263
72 HE ARG 13 HE ARG 13 -5.318 8.982 3.216
73 1HH1 ARG 13 1HH1 ARG 13 -4.501 12.399 3.060
74 2HH1 ARG 13 2HH1 ARG 13 -5.734 12.861 4.189
75 1HH2 ARG 13 1HH2 ARG 13 -6.941 9.613 4.686
76 2HH2 ARG 13 2HH2 ARG 13 -7.120 11.292 5.112
77 H MET 14 H MET 14 -0.884 9.929 6.702
78 HA MET 14 HA MET 14 0.412 7.375 6.156
79 1HB MET 14 2HB MET 14 -0.208 8.906 8.666
80 2HB MET 14 1HB MET 14 0.177 7.194 8.740
81 1HG MET 14 2HG MET 14 2.151 8.440 9.185
82 2HG MET 14 1HG MET 14 2.319 7.670 7.610
83 1HE MET 14 1HE MET 14 4.217 10.004 8.620
84 2HE MET 14 2HE MET 14 4.318 11.017 7.180
85 3HE MET 14 3HE MET 14 4.373 9.261 7.028
86 H ILE 15 H ILE 15 -0.897 5.801 5.518
87 HA ILE 15 HA ILE 15 -3.601 5.636 6.600
88 HB ILE 15 HB ILE 15 -2.208 3.918 4.534
89 1HG1 ILE 15 2HG1 ILE 15 -4.339 6.052 4.235
90 2HG1 ILE 15 1HG1 ILE 15 -2.641 6.239 3.809
91 1HG2 ILE 15 1HG2 ILE 15 -3.906 2.639 5.713
92 2HG2 ILE 15 2HG2 ILE 15 -4.442 2.998 4.071
93 3HG2 ILE 15 3HG2 ILE 15 -5.090 3.917 5.431
94 1HD1 ILE 15 1HD1 ILE 15 -4.580 4.322 2.533
95 2HD1 ILE 15 2HD1 ILE 15 -2.882 4.519 2.099
96 3HD1 ILE 15 3HD1 ILE 15 -4.016 5.847 1.848
97 H LEU 16 H LEU 16 -4.120 4.302 8.242
98 HA LEU 16 HA LEU 16 -2.033 3.088 9.739
99 1HB LEU 16 2HB LEU 16 -4.476 4.031 10.355
100 2HB LEU 16 1HB LEU 16 -4.859 2.325 10.237
101 HG LEU 16 HG LEU 16 -4.416 2.987 12.542
102 1HD1 LEU 16 1HD1 LEU 16 -2.760 1.293 13.114
103 2HD1 LEU 16 2HD1 LEU 16 -2.249 1.216 11.428
104 3HD1 LEU 16 3HD1 LEU 16 -3.876 0.706 11.879
105 1HD2 LEU 16 1HD2 LEU 16 -1.683 3.743 11.519
106 2HD2 LEU 16 2HD2 LEU 16 -2.148 3.662 13.219
107 3HD2 LEU 16 3HD2 LEU 16 -2.914 4.838 12.152
108 H THR 17 H THR 17 -1.078 1.222 9.207
109 HA THR 17 HA THR 17 -2.663 -0.761 7.721
110 HB THR 17 HB THR 17 -0.320 -1.260 6.646
111 HG1 THR 17 HG1 THR 17 1.139 0.202 7.125
112 1HG2 THR 17 1HG2 THR 17 -0.876 0.271 4.796
113 2HG2 THR 17 2HG2 THR 17 -2.028 1.102 5.843
114 3HG2 THR 17 3HG2 THR 17 -2.304 -0.580 5.392
115 H ASP 18 H ASP 18 -2.875 -1.714 9.978
116 HA ASP 18 HA ASP 18 -0.619 -3.516 10.466
117 1HB ASP 18 2HB ASP 18 -1.819 -2.763 12.474
118 2HB ASP 18 1HB ASP 18 -3.333 -3.389 11.820
119 H GLY 19 H GLY 19 -0.539 -5.517 9.498
120 1HA GLY 19 2HA GLY 19 -1.736 -7.265 8.204
121 2HA GLY 19 1HA GLY 19 -2.836 -5.991 7.665
122 H LYS 20 H LYS 20 -1.754 -4.123 6.345
123 HA LYS 20 HA LYS 20 0.162 -2.948 5.968
124 1HB LYS 20 2HB LYS 20 0.955 -3.967 8.030
125 2HB LYS 20 1HB LYS 20 1.525 -5.366 7.145
126 1HG LYS 20 2HG LYS 20 2.603 -2.624 6.589
127 2HG LYS 20 1HG LYS 20 3.230 -3.613 7.906
128 1HD LYS 20 2HD LYS 20 3.250 -4.230 4.956
129 2HD LYS 20 1HD LYS 20 4.638 -3.958 6.013
130 1HE LYS 20 2HE LYS 20 4.293 -6.009 7.141
131 2HE LYS 20 1HE LYS 20 2.695 -6.214 6.423
132 1HZ LYS 20 1HZ LYS 20 5.345 -6.540 5.158
133 2HZ LYS 20 2HZ LYS 20 3.959 -6.249 4.223
134 3HZ LYS 20 3HZ LYS 20 4.040 -7.626 5.209
135 HA PRO 21 HA PRO 21 0.930 -3.558 1.770
136 1HB PRO 21 2HB PRO 21 3.484 -2.199 2.523
137 2HB PRO 21 1HB PRO 21 2.391 -1.865 1.174
138 1HG PRO 21 2HG PRO 21 2.300 -0.336 3.317
139 2HG PRO 21 1HG PRO 21 0.794 -0.874 2.550
140 1HD PRO 21 2HD PRO 21 2.080 -1.818 5.064
141 2HD PRO 21 1HD PRO 21 0.358 -1.658 4.665
142 H GLU 22 H GLU 22 1.539 -5.287 0.732
143 HA GLU 22 HA GLU 22 4.256 -6.355 1.165
144 1HB GLU 22 2HB GLU 22 2.007 -7.804 1.398
145 2HB GLU 22 1HB GLU 22 2.179 -7.875 -0.345
146 1HG GLU 22 2HG GLU 22 4.438 -8.791 -0.075
147 2HG GLU 22 1HG GLU 22 4.210 -8.786 1.675
148 H ILE 23 H ILE 23 5.586 -5.598 -0.412
149 HA ILE 23 HA ILE 23 4.514 -4.342 -2.733
150 HB ILE 23 HB ILE 23 7.398 -5.067 -2.187
151 1HG1 ILE 23 2HG1 ILE 23 5.855 -2.518 -1.632
152 2HG1 ILE 23 1HG1 ILE 23 6.497 -3.624 -0.423
153 1HG2 ILE 23 1HG2 ILE 23 7.886 -3.283 -3.819
154 2HG2 ILE 23 2HG2 ILE 23 6.157 -3.119 -4.131
155 3HG2 ILE 23 3HG2 ILE 23 6.988 -4.621 -4.536
156 1HD1 ILE 23 1HD1 ILE 23 8.128 -1.998 -2.359
157 2HD1 ILE 23 2HD1 ILE 23 8.764 -3.091 -1.130
158 3HD1 ILE 23 3HD1 ILE 23 7.885 -1.640 -0.649
159 H ASP 24 H ASP 24 3.599 -5.500 -4.260
160 HA ASP 24 HA ASP 24 4.556 -8.117 -5.036
161 1HB ASP 24 2HB ASP 24 2.091 -7.062 -5.030
162 2HB ASP 24 1HB ASP 24 2.559 -6.594 -6.660
163 H ASP 25 H ASP 25 6.593 -7.850 -5.900
164 HA ASP 25 HA ASP 25 7.233 -5.372 -7.213
165 1HB ASP 25 2HB ASP 25 8.624 -6.734 -5.480
166 2HB ASP 25 1HB ASP 25 9.164 -7.641 -6.887
167 H ASP 26 H ASP 26 6.257 -8.440 -8.292
168 HA ASP 26 HA ASP 26 7.659 -8.181 -10.845
169 1HB ASP 26 2HB ASP 26 5.989 -10.344 -9.595
170 2HB ASP 26 1HB ASP 26 6.312 -10.350 -11.324
171 H THR 27 H THR 27 5.049 -6.945 -9.440
172 HA THR 27 HA THR 27 3.402 -7.020 -11.874
173 HB THR 27 HB THR 27 2.169 -6.484 -9.213
174 HG1 THR 27 HG1 THR 27 2.175 -8.657 -8.682
175 1HG2 THR 27 1HG2 THR 27 0.848 -6.453 -11.290
176 2HG2 THR 27 2HG2 THR 27 0.331 -7.743 -10.202
177 3HG2 THR 27 3HG2 THR 27 1.334 -8.120 -11.604
178 H GLY 28 H GLY 28 4.587 -5.079 -9.178
179 1HA GLY 28 2HA GLY 28 5.163 -2.781 -9.424
180 2HA GLY 28 1HA GLY 28 4.003 -2.662 -10.742
181 H LEU 29 H LEU 29 2.851 -4.418 -8.102
182 HA LEU 29 HA LEU 29 1.347 -2.077 -7.139
183 1HB LEU 29 2HB LEU 29 0.444 -4.928 -7.522
184 2HB LEU 29 1HB LEU 29 -0.437 -3.789 -6.524
185 HG LEU 29 HG LEU 29 -0.547 -2.313 -8.627
186 1HD1 LEU 29 1HD1 LEU 29 0.086 -4.955 -9.929
187 2HD1 LEU 29 2HD1 LEU 29 1.116 -3.524 -9.942
188 3HD1 LEU 29 3HD1 LEU 29 -0.450 -3.489 -10.750
189 1HD2 LEU 29 1HD2 LEU 29 -2.457 -3.452 -7.647
190 2HD2 LEU 29 2HD2 LEU 29 -2.041 -4.925 -8.522
191 3HD2 LEU 29 3HD2 LEU 29 -2.539 -3.483 -9.409
192 H VAL 30 H VAL 30 0.384 -2.555 -4.904
193 HA VAL 30 HA VAL 30 2.210 -4.162 -3.258
194 HB VAL 30 HB VAL 30 1.353 -1.340 -2.580
195 1HG1 VAL 30 1HG1 VAL 30 1.533 -2.739 -0.611
196 2HG1 VAL 30 2HG1 VAL 30 2.861 -1.579 -0.666
197 3HG1 VAL 30 3HG1 VAL 30 3.144 -3.262 -1.112
198 1HG2 VAL 30 1HG2 VAL 30 4.062 -2.405 -3.361
199 2HG2 VAL 30 2HG2 VAL 30 3.745 -0.778 -2.763
200 3HG2 VAL 30 3HG2 VAL 30 3.060 -1.300 -4.303
201 H SER 31 H SER 31 1.003 -5.591 -2.188
202 HA SER 31 HA SER 31 -1.845 -5.181 -1.900
203 1HB SER 31 2HB SER 31 -1.663 -7.517 -0.828
204 2HB SER 31 1HB SER 31 -1.261 -7.377 -2.534
205 HG SER 31 HG SER 31 0.316 -8.583 -1.470
206 H TYR 32 H TYR 32 -2.493 -3.883 -0.276
207 HA TYR 32 HA TYR 32 -1.188 -4.268 2.335
208 1HB TYR 32 2HB TYR 32 -1.449 -2.024 2.867
209 2HB TYR 32 1HB TYR 32 -1.084 -1.947 1.150
210 HD1 TYR 32 HD1 TYR 32 -3.208 -1.887 -0.437
211 HD2 TYR 32 HD2 TYR 32 -3.238 -0.850 3.694
212 HE1 TYR 32 HE1 TYR 32 -5.240 -0.542 -0.793
213 HE2 TYR 32 HE2 TYR 32 -5.265 0.494 3.348
214 HH TYR 32 HH TYR 32 -6.489 1.562 1.680
215 H HIS 33 H HIS 33 -2.551 -4.143 4.204
216 HA HIS 33 HA HIS 33 -5.299 -5.017 3.603
217 1HB HIS 33 2HB HIS 33 -3.515 -5.845 5.916
218 2HB HIS 33 1HB HIS 33 -5.194 -6.333 5.714
219 HD1 HIS 33 HD1 HIS 33 -2.849 -8.396 5.857
220 HD2 HIS 33 HD2 HIS 33 -4.530 -6.913 2.347
221 HE1 HIS 33 HE1 HIS 33 -2.345 -10.104 4.080
222 HE2 HIS 33 HE2 HIS 33 -3.315 -9.158 1.952
223 H ASP 34 H ASP 34 -6.876 -3.842 4.397
224 HA ASP 34 HA ASP 34 -6.410 -1.381 5.692
225 1HB ASP 34 2HB ASP 34 -8.661 -2.763 4.564
226 2HB ASP 34 1HB ASP 34 -9.108 -2.063 6.115
227 H GLN 35 H GLN 35 -7.744 -0.712 7.583
228 HA GLN 35 HA GLN 35 -6.988 -2.112 9.934
229 1HB GLN 35 2HB GLN 35 -9.064 0.063 9.603
230 2HB GLN 35 1HB GLN 35 -8.271 -0.399 11.103
231 1HG GLN 35 2HG GLN 35 -6.183 0.445 10.349
232 2HG GLN 35 1HG GLN 35 -6.801 0.677 8.714
233 1HE2 GLN 35 1HE2 GLN 35 -8.124 2.427 8.274
234 2HE2 GLN 35 2HE2 GLN 35 -8.304 3.754 9.369
235 H GLN 36 H GLN 36 -9.451 -2.623 7.732
236 HA GLN 36 HA GLN 36 -11.117 -4.022 9.719
237 1HB GLN 36 2HB GLN 36 -11.889 -2.843 7.039
238 2HB GLN 36 1HB GLN 36 -12.957 -3.815 8.044
239 1HG GLN 36 2HG GLN 36 -11.715 -1.207 8.885
240 2HG GLN 36 1HG GLN 36 -13.350 -1.389 8.251
241 1HE2 GLN 36 1HE2 GLN 36 -11.234 -2.032 10.949
242 2HE2 GLN 36 2HE2 GLN 36 -12.480 -2.423 12.090
243 H GLY 37 H GLY 37 -8.667 -4.863 8.152
244 1HA GLY 37 2HA GLY 37 -7.913 -6.825 7.233
245 2HA GLY 37 1HA GLY 37 -9.472 -7.523 7.644
246 H ASN 38 H ASN 38 -8.822 -4.814 5.468
247 HA ASN 38 HA ASN 38 -10.174 -6.289 3.325
248 1HB ASN 38 2HB ASN 38 -9.383 -3.364 3.464
249 2HB ASN 38 1HB ASN 38 -10.286 -4.116 2.158
250 1HD2 ASN 38 1HD2 ASN 38 -10.986 -1.906 3.944
251 2HD2 ASN 38 2HD2 ASN 38 -12.482 -2.373 4.679
252 H ALA 39 H ALA 39 -8.941 -7.360 1.919
253 HA ALA 39 HA ALA 39 -6.132 -6.678 1.622
254 1HB ALA 39 1HB ALA 39 -6.787 -9.029 1.810
255 2HB ALA 39 2HB ALA 39 -5.978 -8.705 0.278
256 3HB ALA 39 3HB ALA 39 -7.732 -8.885 0.328
257 H MET 40 H MET 40 -5.771 -4.929 0.382
258 HA MET 40 HA MET 40 -6.911 -4.959 -2.330
259 1HB MET 40 2HB MET 40 -6.722 -2.573 -0.489
260 2HB MET 40 1HB MET 40 -7.028 -2.448 -2.216
261 1HG MET 40 2HG MET 40 -9.039 -3.839 -1.913
262 2HG MET 40 1HG MET 40 -8.756 -3.816 -0.174
263 1HE MET 40 1HE MET 40 -9.168 -1.812 1.378
264 2HE MET 40 2HE MET 40 -9.380 -0.154 0.817
265 3HE MET 40 3HE MET 40 -7.851 -0.987 0.545
266 H GLN 41 H GLN 41 -5.636 -3.854 -3.930
267 HA GLN 41 HA GLN 41 -2.794 -3.771 -3.166
268 1HB GLN 41 2HB GLN 41 -4.015 -4.451 -5.847
269 2HB GLN 41 1HB GLN 41 -2.292 -4.364 -5.508
270 1HG GLN 41 2HG GLN 41 -2.534 -6.201 -3.900
271 2HG GLN 41 1HG GLN 41 -4.250 -6.300 -4.290
272 1HE2 GLN 41 1HE2 GLN 41 -2.160 -8.308 -4.584
273 2HE2 GLN 41 2HE2 GLN 41 -2.122 -8.734 -6.262
274 H ILE 42 H ILE 42 -1.843 -1.874 -3.275
275 HA ILE 42 HA ILE 42 -3.048 0.247 -4.914
276 HB ILE 42 HB ILE 42 -1.745 1.834 -3.680
277 1HG1 ILE 42 2HG1 ILE 42 -0.510 -0.300 -1.977
278 2HG1 ILE 42 1HG1 ILE 42 0.237 0.131 -3.513
279 1HG2 ILE 42 1HG2 ILE 42 -2.533 1.469 -1.385
280 2HG2 ILE 42 2HG2 ILE 42 -2.918 -0.201 -1.799
281 3HG2 ILE 42 3HG2 ILE 42 -3.777 1.123 -2.586
282 1HD1 ILE 42 1HD1 ILE 42 1.254 1.352 -1.697
283 2HD1 ILE 42 2HD1 ILE 42 -0.317 2.001 -1.224
284 3HD1 ILE 42 3HD1 ILE 42 0.393 2.450 -2.776
285 H ASN 43 H ASN 43 -1.093 1.817 -5.683
286 HA ASN 43 HA ASN 43 0.468 0.155 -7.484
287 1HB ASN 43 2HB ASN 43 -0.769 2.278 -8.162
288 2HB ASN 43 1HB ASN 43 0.489 3.166 -7.314
289 1HD2 ASN 43 1HD2 ASN 43 -0.318 1.328 -10.115
290 2HD2 ASN 43 2HD2 ASN 43 1.167 1.594 -10.969
291 H ARG 44 H ARG 44 2.733 0.260 -7.671
292 HA ARG 44 HA ARG 44 4.215 0.359 -5.274
293 1HB ARG 44 2HB ARG 44 4.702 -0.817 -7.542
294 2HB ARG 44 1HB ARG 44 5.430 0.712 -8.003
295 1HG ARG 44 2HG ARG 44 6.907 0.497 -5.977
296 2HG ARG 44 1HG ARG 44 6.284 -1.149 -5.805
297 1HD ARG 44 2HD ARG 44 6.965 -1.431 -8.271
298 2HD ARG 44 1HD ARG 44 7.924 0.026 -8.026
299 HE ARG 44 HE ARG 44 8.325 -2.546 -6.653
300 1HH1 ARG 44 1HH1 ARG 44 9.490 0.651 -7.510
301 2HH1 ARG 44 2HH1 ARG 44 11.151 0.266 -7.150
302 1HH2 ARG 44 1HH2 ARG 44 10.487 -3.056 -6.218
303 2HH2 ARG 44 2HH2 ARG 44 11.713 -1.829 -6.408
304 H ASP 45 H ASP 45 3.337 2.767 -7.581
305 HA ASP 45 HA ASP 45 5.338 4.693 -6.741
306 1HB ASP 45 2HB ASP 45 4.753 4.666 -9.075
307 2HB ASP 45 1HB ASP 45 3.040 4.816 -8.705
308 H ASP 46 H ASP 46 2.175 3.772 -5.816
309 HA ASP 46 HA ASP 46 1.391 6.360 -4.812
310 1HB ASP 46 2HB ASP 46 0.161 3.617 -4.519
311 2HB ASP 46 1HB ASP 46 -0.499 5.049 -3.737
312 H VAL 47 H VAL 47 2.914 3.488 -3.573
313 HA VAL 47 HA VAL 47 2.743 4.376 -0.821
314 HB VAL 47 HB VAL 47 2.634 1.971 -1.311
315 1HG1 VAL 47 1HG1 VAL 47 5.476 2.246 -2.261
316 2HG1 VAL 47 2HG1 VAL 47 4.074 1.926 -3.279
317 3HG1 VAL 47 3HG1 VAL 47 4.580 0.739 -2.078
318 1HG2 VAL 47 1HG2 VAL 47 4.293 1.194 0.322
319 2HG2 VAL 47 2HG2 VAL 47 3.456 2.650 0.863
320 3HG2 VAL 47 3HG2 VAL 47 5.098 2.760 0.229
321 H SER 48 H SER 48 4.381 5.268 0.370
322 HA SER 48 HA SER 48 6.726 6.139 -1.173
323 1HB SER 48 2HB SER 48 5.419 8.022 -0.478
324 2HB SER 48 1HB SER 48 5.287 7.407 1.166
325 HG SER 48 HG SER 48 6.860 9.040 1.039
326 H GLN 49 H GLN 49 5.829 5.350 2.211
327 HA GLN 49 HA GLN 49 8.250 3.761 2.464
328 1HB GLN 49 2HB GLN 49 8.965 6.076 3.029
329 2HB GLN 49 1HB GLN 49 7.736 6.128 4.285
330 1HG GLN 49 2HG GLN 49 8.864 4.172 5.355
331 2HG GLN 49 1HG GLN 49 10.164 4.355 4.179
332 1HE2 GLN 49 1HE2 GLN 49 9.923 7.287 4.208
333 2HE2 GLN 49 2HE2 GLN 49 10.645 7.800 5.697
334 H ILE 50 H ILE 50 8.005 2.113 3.888
335 HA ILE 50 HA ILE 50 5.735 2.223 5.755
336 HB ILE 50 HB ILE 50 5.435 -0.239 5.418
337 1HG1 ILE 50 2HG1 ILE 50 7.151 0.252 2.973
338 2HG1 ILE 50 1HG1 ILE 50 7.608 -0.718 4.369
339 1HG2 ILE 50 1HG2 ILE 50 4.128 -0.006 3.353
340 2HG2 ILE 50 2HG2 ILE 50 4.928 1.534 3.034
341 3HG2 ILE 50 3HG2 ILE 50 3.892 1.353 4.450
342 1HD1 ILE 50 1HD1 ILE 50 5.310 -1.312 2.525
343 2HD1 ILE 50 2HD1 ILE 50 5.863 -2.312 3.871
344 3HD1 ILE 50 3HD1 ILE 50 6.897 -2.077 2.461
345 H ILE 51 H ILE 51 6.117 1.388 7.777
346 HA ILE 51 HA ILE 51 8.717 0.172 8.342
347 HB ILE 51 HB ILE 51 9.112 1.789 10.232
348 1HG1 ILE 51 2HG1 ILE 51 7.085 3.461 8.728
349 2HG1 ILE 51 1HG1 ILE 51 6.836 2.738 10.313
350 1HG2 ILE 51 1HG2 ILE 51 10.439 1.885 8.206
351 2HG2 ILE 51 2HG2 ILE 51 10.138 3.512 8.815
352 3HG2 ILE 51 3HG2 ILE 51 9.225 2.904 7.433
353 1HD1 ILE 51 1HD1 ILE 51 7.357 5.107 10.479
354 2HD1 ILE 51 2HD1 ILE 51 8.884 4.836 9.638
355 3HD1 ILE 51 3HD1 ILE 51 8.616 4.126 11.229
356 H GLU 52 H GLU 52 5.645 -0.219 8.566
357 HA GLU 52 HA GLU 52 4.765 -0.330 11.154
358 1HB GLU 52 2HB GLU 52 4.245 -2.302 8.925
359 2HB GLU 52 1HB GLU 52 3.329 -2.241 10.423
360 1HG GLU 52 2HG GLU 52 1.984 -1.063 8.991
361 2HG GLU 52 1HG GLU 52 2.896 0.225 9.771
362 H ARG 53 H ARG 53 6.167 -3.161 9.478
363 HA ARG 53 HA ARG 53 7.297 -3.997 12.054
364 1HB ARG 53 2HB ARG 53 5.934 -5.859 10.095
365 2HB ARG 53 1HB ARG 53 6.684 -6.318 11.620
366 1HG ARG 53 2HG ARG 53 5.032 -4.827 12.773
367 2HG ARG 53 1HG ARG 53 4.215 -4.646 11.222
368 1HD ARG 53 2HD ARG 53 3.981 -7.131 11.145
369 2HD ARG 53 1HD ARG 53 4.634 -7.188 12.781
370 HE ARG 53 HE ARG 53 2.034 -6.082 11.977
371 1HH1 ARG 53 1HH1 ARG 53 4.276 -7.001 14.523
372 2HH1 ARG 53 2HH1 ARG 53 3.077 -6.896 15.782
373 1HH2 ARG 53 1HH2 ARG 53 0.462 -5.918 13.632
374 2HH2 ARG 53 2HH2 ARG 53 0.924 -6.256 15.280
Start of MODEL 5
1 H ASP 4 H ASP 4 -0.661 -1.663 14.904
2 HA ASP 4 HA ASP 4 2.071 -1.480 15.648
3 1HB ASP 4 2HB ASP 4 2.299 -3.753 14.725
4 2HB ASP 4 1HB ASP 4 0.914 -3.611 15.797
5 H TYR 5 H TYR 5 0.411 -1.225 12.538
6 HA TYR 5 HA TYR 5 2.947 -0.276 11.423
7 1HB TYR 5 2HB TYR 5 1.332 -2.568 10.446
8 2HB TYR 5 1HB TYR 5 2.003 -1.487 9.228
9 HD1 TYR 5 HD1 TYR 5 2.901 -3.700 12.068
10 HD2 TYR 5 HD2 TYR 5 4.290 -1.568 8.659
11 HE1 TYR 5 HE1 TYR 5 5.079 -4.831 12.259
12 HE2 TYR 5 HE2 TYR 5 6.468 -2.693 8.835
13 HH TYR 5 HH TYR 5 7.835 -3.816 10.502
14 H VAL 6 H VAL 6 2.807 1.429 10.116
15 HA VAL 6 HA VAL 6 0.180 2.309 9.157
16 HB VAL 6 HB VAL 6 2.205 4.175 10.419
17 1HG1 VAL 6 1HG1 VAL 6 -0.602 4.648 9.434
18 2HG1 VAL 6 2HG1 VAL 6 0.886 5.236 8.693
19 3HG1 VAL 6 3HG1 VAL 6 0.395 5.833 10.279
20 1HG2 VAL 6 1HG2 VAL 6 1.213 2.783 12.151
21 2HG2 VAL 6 2HG2 VAL 6 -0.402 3.175 11.562
22 3HG2 VAL 6 3HG2 VAL 6 0.610 4.436 12.265
23 H MET 7 H MET 7 0.247 3.114 7.095
24 HA MET 7 HA MET 7 2.925 3.372 5.888
25 1HB MET 7 2HB MET 7 1.774 1.358 5.108
26 2HB MET 7 1HB MET 7 0.393 2.325 4.610
27 1HG MET 7 2HG MET 7 1.728 3.444 2.937
28 2HG MET 7 1HG MET 7 3.169 2.585 3.473
29 1HE MET 7 1HE MET 7 -0.454 1.084 3.161
30 2HE MET 7 2HE MET 7 -0.443 0.489 1.501
31 3HE MET 7 3HE MET 7 -0.382 2.223 1.818
32 H ALA 8 H ALA 8 3.359 5.380 5.398
33 HA ALA 8 HA ALA 8 1.243 7.261 4.699
34 1HB ALA 8 1HB ALA 8 3.012 8.947 4.722
35 2HB ALA 8 2HB ALA 8 4.227 7.690 4.942
36 3HB ALA 8 3HB ALA 8 3.041 8.002 6.209
37 H THR 9 H THR 9 0.839 7.926 2.643
38 HA THR 9 HA THR 9 2.357 6.511 0.567
39 HB THR 9 HB THR 9 0.379 6.975 -0.877
40 HG1 THR 9 HG1 THR 9 -0.968 7.621 1.543
41 1HG2 THR 9 1HG2 THR 9 -1.055 5.269 0.158
42 2HG2 THR 9 2HG2 THR 9 -0.159 5.440 1.667
43 3HG2 THR 9 3HG2 THR 9 0.645 4.810 0.230
44 H LYS 10 H LYS 10 2.426 7.581 -1.568
45 HA LYS 10 HA LYS 10 3.943 9.893 -1.554
46 1HB LYS 10 2HB LYS 10 3.736 8.168 -3.372
47 2HB LYS 10 1HB LYS 10 2.214 8.914 -3.826
48 1HG LYS 10 2HG LYS 10 3.319 10.945 -4.451
49 2HG LYS 10 1HG LYS 10 4.858 10.353 -3.819
50 1HD LYS 10 2HD LYS 10 4.795 10.136 -6.244
51 2HD LYS 10 1HD LYS 10 4.829 8.542 -5.484
52 1HE LYS 10 2HE LYS 10 2.274 8.613 -5.663
53 2HE LYS 10 1HE LYS 10 2.519 9.955 -6.780
54 1HZ LYS 10 1HZ LYS 10 2.631 8.361 -8.311
55 2HZ LYS 10 2HZ LYS 10 2.910 7.133 -7.183
56 3HZ LYS 10 3HZ LYS 10 4.209 8.074 -7.745
57 H ASP 11 H ASP 11 0.466 9.506 -2.039
58 HA ASP 11 HA ASP 11 -0.043 12.146 -2.916
59 1HB ASP 11 2HB ASP 11 -1.517 9.996 -3.061
60 2HB ASP 11 1HB ASP 11 -2.098 10.499 -1.477
61 H GLY 12 H GLY 12 0.320 10.720 0.230
62 1HA GLY 12 2HA GLY 12 0.901 12.143 2.081
63 2HA GLY 12 1HA GLY 12 -0.145 13.378 1.400
64 H ARG 13 H ARG 13 -1.421 10.202 1.347
65 HA ARG 13 HA ARG 13 -3.113 10.886 3.641
66 1HB ARG 13 2HB ARG 13 -4.687 9.171 2.765
67 2HB ARG 13 1HB ARG 13 -4.415 10.508 1.657
68 1HG ARG 13 2HG ARG 13 -2.794 9.072 0.430
69 2HG ARG 13 1HG ARG 13 -3.279 7.731 1.472
70 1HD ARG 13 2HD ARG 13 -4.482 7.699 -0.662
71 2HD ARG 13 1HD ARG 13 -5.571 7.931 0.703
72 HE ARG 13 HE ARG 13 -5.633 10.316 0.103
73 1HH1 ARG 13 1HH1 ARG 13 -4.515 8.027 -2.315
74 2HH1 ARG 13 2HH1 ARG 13 -4.975 9.035 -3.652
75 1HH2 ARG 13 1HH2 ARG 13 -6.234 11.631 -1.654
76 2HH2 ARG 13 2HH2 ARG 13 -5.944 11.088 -3.279
77 H MET 14 H MET 14 -3.333 9.523 5.365
78 HA MET 14 HA MET 14 -1.097 7.662 5.663
79 1HB MET 14 2HB MET 14 -2.962 8.815 7.743
80 2HB MET 14 1HB MET 14 -1.554 7.819 8.073
81 1HG MET 14 2HG MET 14 -1.490 10.524 6.760
82 2HG MET 14 1HG MET 14 -1.160 10.208 8.462
83 1HE MET 14 1HE MET 14 0.911 8.860 9.348
84 2HE MET 14 2HE MET 14 2.117 8.097 8.310
85 3HE MET 14 3HE MET 14 0.465 7.476 8.349
86 H ILE 15 H ILE 15 -1.442 5.585 5.372
87 HA ILE 15 HA ILE 15 -4.149 4.521 5.762
88 HB ILE 15 HB ILE 15 -1.781 3.345 4.288
89 1HG1 ILE 15 2HG1 ILE 15 -4.405 4.472 3.284
90 2HG1 ILE 15 1HG1 ILE 15 -2.836 5.256 3.143
91 1HG2 ILE 15 1HG2 ILE 15 -3.167 1.608 5.313
92 2HG2 ILE 15 2HG2 ILE 15 -3.311 1.591 3.555
93 3HG2 ILE 15 3HG2 ILE 15 -4.598 2.290 4.540
94 1HD1 ILE 15 1HD1 ILE 15 -3.705 2.701 1.810
95 2HD1 ILE 15 2HD1 ILE 15 -2.075 3.369 1.739
96 3HD1 ILE 15 3HD1 ILE 15 -3.424 4.267 1.044
97 H LEU 16 H LEU 16 -4.549 3.438 7.555
98 HA LEU 16 HA LEU 16 -2.395 2.554 9.275
99 1HB LEU 16 2HB LEU 16 -5.403 2.398 9.518
100 2HB LEU 16 1HB LEU 16 -4.318 1.696 10.697
101 HG LEU 16 HG LEU 16 -5.098 3.786 11.550
102 1HD1 LEU 16 1HD1 LEU 16 -2.270 4.100 10.560
103 2HD1 LEU 16 2HD1 LEU 16 -2.776 3.245 12.017
104 3HD1 LEU 16 3HD1 LEU 16 -3.008 4.989 11.894
105 1HD2 LEU 16 1HD2 LEU 16 -4.101 5.040 8.995
106 2HD2 LEU 16 2HD2 LEU 16 -4.719 5.916 10.396
107 3HD2 LEU 16 3HD2 LEU 16 -5.786 4.851 9.481
108 H THR 17 H THR 17 -1.582 0.517 9.290
109 HA THR 17 HA THR 17 -3.005 -1.421 7.599
110 HB THR 17 HB THR 17 -0.661 -2.372 7.146
111 HG1 THR 17 HG1 THR 17 0.005 -0.386 8.779
112 1HG2 THR 17 1HG2 THR 17 -1.981 -1.231 5.438
113 2HG2 THR 17 2HG2 THR 17 -0.282 -0.779 5.303
114 3HG2 THR 17 3HG2 THR 17 -1.433 0.336 6.038
115 H ASP 18 H ASP 18 -3.202 -3.473 8.244
116 HA ASP 18 HA ASP 18 -2.609 -4.233 10.950
117 1HB ASP 18 2HB ASP 18 -4.587 -5.095 9.752
118 2HB ASP 18 1HB ASP 18 -3.542 -5.872 8.572
119 H GLY 19 H GLY 19 -0.926 -4.049 8.087
120 1HA GLY 19 2HA GLY 19 1.508 -4.077 8.389
121 2HA GLY 19 1HA GLY 19 1.303 -5.600 9.253
122 H LYS 20 H LYS 20 3.097 -5.742 7.208
123 HA LYS 20 HA LYS 20 3.503 -7.360 5.680
124 1HB LYS 20 2HB LYS 20 0.625 -8.127 6.106
125 2HB LYS 20 1HB LYS 20 1.746 -9.025 5.091
126 1HG LYS 20 2HG LYS 20 3.225 -9.215 7.144
127 2HG LYS 20 1HG LYS 20 1.841 -8.626 8.065
128 1HD LYS 20 2HD LYS 20 1.560 -10.903 8.243
129 2HD LYS 20 1HD LYS 20 0.574 -10.551 6.824
130 1HE LYS 20 2HE LYS 20 3.422 -11.554 6.790
131 2HE LYS 20 1HE LYS 20 1.989 -12.538 6.509
132 1HZ LYS 20 1HZ LYS 20 2.982 -10.314 4.811
133 2HZ LYS 20 2HZ LYS 20 1.507 -11.113 4.565
134 3HZ LYS 20 3HZ LYS 20 2.967 -11.965 4.427
135 HA PRO 21 HA PRO 21 1.864 -4.943 2.193
136 1HB PRO 21 2HB PRO 21 4.164 -3.809 1.400
137 2HB PRO 21 1HB PRO 21 3.199 -3.132 2.716
138 1HG PRO 21 2HG PRO 21 5.725 -4.689 2.829
139 2HG PRO 21 1HG PRO 21 5.145 -3.402 3.898
140 1HD PRO 21 2HD PRO 21 5.017 -6.170 4.392
141 2HD PRO 21 1HD PRO 21 4.177 -4.898 5.296
142 H GLU 22 H GLU 22 1.459 -6.808 1.025
143 HA GLU 22 HA GLU 22 3.636 -8.393 -0.011
144 1HB GLU 22 2HB GLU 22 0.645 -8.520 -0.395
145 2HB GLU 22 1HB GLU 22 1.763 -9.622 -1.187
146 1HG GLU 22 2HG GLU 22 1.421 -9.295 1.783
147 2HG GLU 22 1HG GLU 22 0.789 -10.619 0.802
148 H ILE 23 H ILE 23 4.800 -7.038 -1.312
149 HA ILE 23 HA ILE 23 3.523 -5.627 -3.492
150 HB ILE 23 HB ILE 23 6.490 -5.973 -3.036
151 1HG1 ILE 23 2HG1 ILE 23 4.636 -3.852 -1.923
152 2HG1 ILE 23 1HG1 ILE 23 5.477 -5.079 -0.991
153 1HG2 ILE 23 1HG2 ILE 23 6.651 -3.881 -4.297
154 2HG2 ILE 23 2HG2 ILE 23 4.896 -3.849 -4.470
155 3HG2 ILE 23 3HG2 ILE 23 5.833 -5.133 -5.234
156 1HD1 ILE 23 1HD1 ILE 23 6.780 -2.865 -2.551
157 2HD1 ILE 23 2HD1 ILE 23 7.618 -4.093 -1.603
158 3HD1 ILE 23 3HD1 ILE 23 6.570 -2.922 -0.803
159 H ASP 24 H ASP 24 3.046 -6.605 -5.355
160 HA ASP 24 HA ASP 24 4.211 -9.149 -6.042
161 1HB ASP 24 2HB ASP 24 2.756 -9.155 -7.938
162 2HB ASP 24 1HB ASP 24 1.835 -8.483 -6.603
163 H ASP 25 H ASP 25 5.212 -9.483 -8.234
164 HA ASP 25 HA ASP 25 6.893 -7.161 -8.911
165 1HB ASP 25 2HB ASP 25 8.601 -8.785 -9.694
166 2HB ASP 25 1HB ASP 25 8.274 -8.878 -7.969
167 H ASP 26 H ASP 26 4.254 -8.485 -9.921
168 HA ASP 26 HA ASP 26 4.767 -8.855 -12.724
169 1HB ASP 26 2HB ASP 26 2.185 -8.261 -11.250
170 2HB ASP 26 1HB ASP 26 2.294 -8.678 -12.955
171 H THR 27 H THR 27 3.329 -6.333 -10.728
172 HA THR 27 HA THR 27 4.188 -4.329 -12.706
173 HB THR 27 HB THR 27 1.800 -4.529 -12.979
174 HG1 THR 27 HG1 THR 27 1.790 -2.422 -13.095
175 1HG2 THR 27 1HG2 THR 27 1.577 -4.109 -10.001
176 2HG2 THR 27 2HG2 THR 27 1.243 -5.608 -10.867
177 3HG2 THR 27 3HG2 THR 27 0.225 -4.192 -11.131
178 H GLY 28 H GLY 28 3.731 -5.281 -9.387
179 1HA GLY 28 2HA GLY 28 5.221 -4.500 -7.703
180 2HA GLY 28 1HA GLY 28 5.388 -2.991 -8.591
181 H LEU 29 H LEU 29 2.323 -4.575 -7.913
182 HA LEU 29 HA LEU 29 1.454 -2.213 -6.485
183 1HB LEU 29 2HB LEU 29 0.020 -4.770 -7.198
184 2HB LEU 29 1HB LEU 29 -0.723 -3.441 -6.322
185 HG LEU 29 HG LEU 29 0.319 -3.373 -9.153
186 1HD1 LEU 29 1HD1 LEU 29 -2.465 -3.142 -8.029
187 2HD1 LEU 29 2HD1 LEU 29 -1.807 -4.513 -8.921
188 3HD1 LEU 29 3HD1 LEU 29 -2.020 -2.958 -9.724
189 1HD2 LEU 29 1HD2 LEU 29 0.772 -1.246 -8.053
190 2HD2 LEU 29 2HD2 LEU 29 -0.903 -1.157 -7.509
191 3HD2 LEU 29 3HD2 LEU 29 -0.530 -1.077 -9.229
192 H VAL 30 H VAL 30 1.149 -2.013 -4.368
193 HA VAL 30 HA VAL 30 2.308 -4.080 -2.676
194 HB VAL 30 HB VAL 30 1.404 -1.292 -1.932
195 1HG1 VAL 30 1HG1 VAL 30 1.512 -2.803 -0.033
196 2HG1 VAL 30 2HG1 VAL 30 2.806 -1.607 0.045
197 3HG1 VAL 30 3HG1 VAL 30 3.158 -3.257 -0.469
198 1HG2 VAL 30 1HG2 VAL 30 3.786 -0.703 -1.997
199 2HG2 VAL 30 2HG2 VAL 30 3.168 -1.171 -3.581
200 3HG2 VAL 30 3HG2 VAL 30 4.150 -2.301 -2.649
201 H SER 31 H SER 31 0.832 -5.628 -2.244
202 HA SER 31 HA SER 31 -1.917 -4.948 -1.640
203 1HB SER 31 2HB SER 31 -0.552 -7.632 -1.407
204 2HB SER 31 1HB SER 31 -2.281 -7.325 -1.532
205 HG SER 31 HG SER 31 -0.385 -6.654 -3.541
206 H TYR 32 H TYR 32 -2.240 -4.023 0.270
207 HA TYR 32 HA TYR 32 -0.686 -4.966 2.588
208 1HB TYR 32 2HB TYR 32 -1.105 -2.755 3.576
209 2HB TYR 32 1HB TYR 32 -0.318 -2.596 2.007
210 HD1 TYR 32 HD2 TYR 32 -1.600 -1.823 0.052
211 HD2 TYR 32 HD1 TYR 32 -3.346 -1.940 3.928
212 HE1 TYR 32 HE2 TYR 32 -3.438 -0.393 -0.731
213 HE2 TYR 32 HE1 TYR 32 -5.185 -0.509 3.145
214 HH TYR 32 HH TYR 32 -5.705 1.035 1.447
215 H HIS 33 H HIS 33 -1.879 -4.637 4.703
216 HA HIS 33 HA HIS 33 -4.722 -5.349 4.400
217 1HB HIS 33 2HB HIS 33 -2.884 -5.799 6.770
218 2HB HIS 33 1HB HIS 33 -4.575 -6.276 6.681
219 HD1 HIS 33 HD1 HIS 33 -1.542 -7.864 6.696
220 HD2 HIS 33 HD2 HIS 33 -4.710 -7.979 3.999
221 HE1 HIS 33 HE1 HIS 33 -1.288 -10.026 5.442
222 HE2 HIS 33 HE2 HIS 33 -3.338 -10.175 3.985
223 H ASP 34 H ASP 34 -6.015 -3.650 4.696
224 HA ASP 34 HA ASP 34 -5.268 -1.245 6.001
225 1HB ASP 34 2HB ASP 34 -7.585 -2.262 4.613
226 2HB ASP 34 1HB ASP 34 -8.079 -1.416 6.076
227 H GLN 35 H GLN 35 -6.338 -0.321 7.901
228 HA GLN 35 HA GLN 35 -6.288 -1.907 10.208
229 1HB GLN 35 2HB GLN 35 -6.122 0.547 10.245
230 2HB GLN 35 1HB GLN 35 -7.789 0.676 9.701
231 1HG GLN 35 2HG GLN 35 -8.435 -0.567 11.801
232 2HG GLN 35 1HG GLN 35 -6.777 -0.324 12.345
233 1HE2 GLN 35 1HE2 GLN 35 -6.626 2.308 11.025
234 2HE2 GLN 35 2HE2 GLN 35 -7.522 3.387 12.041
235 H GLN 36 H GLN 36 -8.769 -1.209 7.903
236 HA GLN 36 HA GLN 36 -10.961 -2.203 9.449
237 1HB GLN 36 2HB GLN 36 -10.851 -1.816 6.456
238 2HB GLN 36 1HB GLN 36 -12.285 -1.883 7.466
239 1HG GLN 36 2HG GLN 36 -12.111 0.362 7.102
240 2HG GLN 36 1HG GLN 36 -11.227 0.201 8.613
241 1HE2 GLN 36 1HE2 GLN 36 -10.996 0.789 5.206
242 2HE2 GLN 36 2HE2 GLN 36 -9.355 1.354 5.208
243 H GLY 37 H GLY 37 -8.427 -3.779 8.061
244 1HA GLY 37 2HA GLY 37 -8.099 -6.067 7.824
245 2HA GLY 37 1HA GLY 37 -9.823 -6.313 8.065
246 H ASN 38 H ASN 38 -8.530 -4.092 5.716
247 HA ASN 38 HA ASN 38 -9.777 -5.665 3.585
248 1HB ASN 38 2HB ASN 38 -8.699 -2.839 3.540
249 2HB ASN 38 1HB ASN 38 -9.572 -3.628 2.232
250 1HD2 ASN 38 1HD2 ASN 38 -10.117 -1.200 3.853
251 2HD2 ASN 38 2HD2 ASN 38 -11.731 -1.420 4.441
252 H ALA 39 H ALA 39 -8.623 -6.477 1.865
253 HA ALA 39 HA ALA 39 -5.696 -6.183 2.020
254 1HB ALA 39 1HB ALA 39 -6.535 -8.492 2.211
255 2HB ALA 39 2HB ALA 39 -5.537 -8.259 0.776
256 3HB ALA 39 3HB ALA 39 -7.292 -8.332 0.626
257 H MET 40 H MET 40 -5.362 -4.342 0.846
258 HA MET 40 HA MET 40 -6.526 -4.267 -1.861
259 1HB MET 40 2HB MET 40 -6.015 -1.855 -0.116
260 2HB MET 40 1HB MET 40 -6.846 -1.888 -1.667
261 1HG MET 40 2HG MET 40 -8.405 -3.579 -0.377
262 2HG MET 40 1HG MET 40 -7.796 -2.708 1.019
263 1HE MET 40 1HE MET 40 -7.492 0.279 0.088
264 2HE MET 40 2HE MET 40 -8.275 -0.256 1.574
265 3HE MET 40 3HE MET 40 -9.093 0.886 0.505
266 H GLN 41 H GLN 41 -5.275 -2.556 -3.249
267 HA GLN 41 HA GLN 41 -2.406 -3.113 -2.831
268 1HB GLN 41 2HB GLN 41 -3.937 -3.243 -5.439
269 2HB GLN 41 1HB GLN 41 -2.207 -3.492 -5.255
270 1HG GLN 41 2HG GLN 41 -2.630 -5.462 -3.881
271 2HG GLN 41 1HG GLN 41 -4.365 -5.203 -4.041
272 1HE2 GLN 41 1HE2 GLN 41 -4.202 -4.390 -6.821
273 2HE2 GLN 41 2HE2 GLN 41 -3.881 -5.826 -7.737
274 H ILE 42 H ILE 42 -1.243 -1.264 -2.743
275 HA ILE 42 HA ILE 42 -2.150 1.018 -4.375
276 HB ILE 42 HB ILE 42 -0.765 2.489 -3.108
277 1HG1 ILE 42 2HG1 ILE 42 0.211 0.337 -1.275
278 2HG1 ILE 42 1HG1 ILE 42 1.030 0.577 -2.817
279 1HG2 ILE 42 1HG2 ILE 42 -2.923 1.868 -2.085
280 2HG2 ILE 42 2HG2 ILE 42 -1.708 2.340 -0.897
281 3HG2 ILE 42 3HG2 ILE 42 -2.086 0.638 -1.137
282 1HD1 ILE 42 1HD1 ILE 42 1.487 2.875 -2.255
283 2HD1 ILE 42 2HD1 ILE 42 2.089 1.802 -0.987
284 3HD1 ILE 42 3HD1 ILE 42 0.595 2.706 -0.741
285 H ASN 43 H ASN 43 0.037 2.357 -4.986
286 HA ASN 43 HA ASN 43 1.427 0.490 -6.743
287 1HB ASN 43 2HB ASN 43 0.344 2.574 -7.625
288 2HB ASN 43 1HB ASN 43 1.541 3.506 -6.741
289 1HD2 ASN 43 1HD2 ASN 43 2.353 4.401 -8.607
290 2HD2 ASN 43 2HD2 ASN 43 3.320 3.502 -9.736
291 H ARG 44 H ARG 44 3.650 0.242 -6.798
292 HA ARG 44 HA ARG 44 5.100 0.530 -4.417
293 1HB ARG 44 2HB ARG 44 7.111 0.018 -5.862
294 2HB ARG 44 1HB ARG 44 5.798 -1.150 -5.937
295 1HG ARG 44 2HG ARG 44 5.047 -0.204 -8.044
296 2HG ARG 44 1HG ARG 44 6.315 1.020 -7.965
297 1HD ARG 44 2HD ARG 44 8.020 -0.596 -8.240
298 2HD ARG 44 1HD ARG 44 6.904 -1.930 -7.947
299 HE ARG 44 HE ARG 44 5.891 -1.448 -10.100
300 1HH1 ARG 44 1HH1 ARG 44 9.038 -0.020 -9.488
301 2HH1 ARG 44 2HH1 ARG 44 9.415 0.172 -11.172
302 1HH2 ARG 44 1HH2 ARG 44 6.404 -1.210 -12.307
303 2HH2 ARG 44 2HH2 ARG 44 7.928 -0.514 -12.769
304 H ASP 45 H ASP 45 4.789 2.656 -7.174
305 HA ASP 45 HA ASP 45 6.994 4.343 -6.440
306 1HB ASP 45 2HB ASP 45 6.179 4.145 -8.777
307 2HB ASP 45 1HB ASP 45 4.668 4.910 -8.296
308 H ASP 46 H ASP 46 3.921 3.875 -5.248
309 HA ASP 46 HA ASP 46 3.569 6.645 -4.374
310 1HB ASP 46 2HB ASP 46 1.704 4.301 -4.609
311 2HB ASP 46 1HB ASP 46 1.282 5.707 -3.635
312 H VAL 47 H VAL 47 5.068 3.990 -3.252
313 HA VAL 47 HA VAL 47 4.141 4.079 -0.514
314 HB VAL 47 HB VAL 47 6.664 2.746 -1.508
315 1HG1 VAL 47 1HG1 VAL 47 4.859 2.165 0.835
316 2HG1 VAL 47 2HG1 VAL 47 6.425 2.976 0.915
317 3HG1 VAL 47 3HG1 VAL 47 6.331 1.287 0.416
318 1HG2 VAL 47 1HG2 VAL 47 3.866 1.618 -1.456
319 2HG2 VAL 47 2HG2 VAL 47 5.332 0.686 -1.757
320 3HG2 VAL 47 3HG2 VAL 47 4.836 1.944 -2.890
321 H SER 48 H SER 48 4.648 5.804 0.674
322 HA SER 48 HA SER 48 7.040 7.316 0.005
323 1HB SER 48 2HB SER 48 4.984 8.575 0.126
324 2HB SER 48 1HB SER 48 4.659 7.985 1.754
325 HG SER 48 HG SER 48 6.994 9.455 1.083
326 H GLN 49 H GLN 49 5.467 6.327 3.078
327 HA GLN 49 HA GLN 49 8.075 5.531 4.114
328 1HB GLN 49 2HB GLN 49 7.549 8.043 4.602
329 2HB GLN 49 1HB GLN 49 6.407 7.397 5.773
330 1HG GLN 49 2HG GLN 49 8.355 6.083 6.728
331 2HG GLN 49 1HG GLN 49 9.391 7.098 5.728
332 1HE2 GLN 49 1HE2 GLN 49 10.413 8.135 7.366
333 2HE2 GLN 49 2HE2 GLN 49 9.623 9.226 8.455
334 H ILE 50 H ILE 50 7.928 4.005 5.766
335 HA ILE 50 HA ILE 50 5.217 3.288 6.653
336 HB ILE 50 HB ILE 50 7.334 1.270 5.864
337 1HG1 ILE 50 2HG1 ILE 50 4.720 1.975 4.503
338 2HG1 ILE 50 1HG1 ILE 50 6.321 2.401 3.909
339 1HG2 ILE 50 1HG2 ILE 50 4.471 0.879 6.742
340 2HG2 ILE 50 2HG2 ILE 50 5.901 0.543 7.718
341 3HG2 ILE 50 3HG2 ILE 50 5.592 -0.393 6.256
342 1HD1 ILE 50 1HD1 ILE 50 6.853 0.047 3.624
343 2HD1 ILE 50 2HD1 ILE 50 5.395 0.479 2.732
344 3HD1 ILE 50 3HD1 ILE 50 5.268 -0.397 4.257
345 H ILE 51 H ILE 51 8.485 1.996 7.265
346 HA ILE 51 HA ILE 51 8.109 2.643 10.109
347 HB ILE 51 HB ILE 51 9.287 0.497 10.653
348 1HG1 ILE 51 2HG1 ILE 51 8.631 -0.175 7.776
349 2HG1 ILE 51 1HG1 ILE 51 10.250 0.099 8.407
350 1HG2 ILE 51 1HG2 ILE 51 6.616 0.293 9.276
351 2HG2 ILE 51 2HG2 ILE 51 6.902 0.733 10.960
352 3HG2 ILE 51 3HG2 ILE 51 7.280 -0.895 10.398
353 1HD1 ILE 51 1HD1 ILE 51 8.391 -2.119 9.233
354 2HD1 ILE 51 2HD1 ILE 51 10.019 -1.847 9.853
355 3HD1 ILE 51 3HD1 ILE 51 9.782 -2.271 8.158
356 H GLU 52 H GLU 52 10.400 1.882 11.198
357 HA GLU 52 HA GLU 52 12.301 3.745 10.005
358 1HB GLU 52 2HB GLU 52 11.505 3.472 12.553
359 2HB GLU 52 1HB GLU 52 12.852 2.348 12.583
360 1HG GLU 52 2HG GLU 52 13.199 5.135 11.555
361 2HG GLU 52 1HG GLU 52 13.236 4.795 13.282
362 H ARG 53 H ARG 53 14.587 3.150 9.929
363 HA ARG 53 HA ARG 53 16.272 1.928 9.112
364 1HB ARG 53 2HB ARG 53 14.868 -0.166 10.718
365 2HB ARG 53 1HB ARG 53 16.246 -0.600 9.714
366 1HG ARG 53 2HG ARG 53 16.187 1.346 12.002
367 2HG ARG 53 1HG ARG 53 17.063 -0.186 11.899
368 1HD ARG 53 2HD ARG 53 18.364 0.756 10.002
369 2HD ARG 53 1HD ARG 53 17.559 2.300 10.265
370 HE ARG 53 HE ARG 53 19.541 1.038 12.019
371 1HH1 ARG 53 1HH1 ARG 53 17.407 3.749 11.354
372 2HH1 ARG 53 2HH1 ARG 53 18.308 4.846 12.350
373 1HH2 ARG 53 1HH2 ARG 53 20.715 2.485 13.314
374 2HH2 ARG 53 2HH2 ARG 53 20.181 4.131 13.473
Start of MODEL 6
1 H ASP 4 H ASP 4 0.645 -0.780 16.945
2 HA ASP 4 HA ASP 4 -1.705 0.334 15.568
3 1HB ASP 4 2HB ASP 4 -1.158 1.466 17.751
4 2HB ASP 4 1HB ASP 4 0.410 1.893 17.077
5 H TYR 5 H TYR 5 -1.309 0.495 13.436
6 HA TYR 5 HA TYR 5 1.464 0.978 12.587
7 1HB TYR 5 2HB TYR 5 -0.509 -0.996 11.437
8 2HB TYR 5 1HB TYR 5 0.938 -0.479 10.580
9 HD1 TYR 5 HD1 TYR 5 3.188 -0.993 11.559
10 HD2 TYR 5 HD2 TYR 5 -0.401 -2.647 13.142
11 HE1 TYR 5 HE1 TYR 5 4.501 -2.720 12.712
12 HE2 TYR 5 HE2 TYR 5 0.904 -4.383 14.298
13 HH TYR 5 HH TYR 5 3.075 -5.485 14.120
14 H VAL 6 H VAL 6 1.727 1.973 10.539
15 HA VAL 6 HA VAL 6 -0.518 3.113 9.161
16 HB VAL 6 HB VAL 6 -0.233 4.673 11.084
17 1HG1 VAL 6 1HG1 VAL 6 1.742 6.133 11.170
18 2HG1 VAL 6 2HG1 VAL 6 2.492 5.171 9.895
19 3HG1 VAL 6 3HG1 VAL 6 2.145 4.440 11.462
20 1HG2 VAL 6 1HG2 VAL 6 -0.198 6.735 9.783
21 2HG2 VAL 6 2HG2 VAL 6 -1.147 5.487 8.976
22 3HG2 VAL 6 3HG2 VAL 6 0.478 5.863 8.406
23 H MET 7 H MET 7 0.136 4.055 7.141
24 HA MET 7 HA MET 7 2.962 3.636 6.453
25 1HB MET 7 2HB MET 7 1.570 1.752 5.617
26 2HB MET 7 1HB MET 7 0.601 2.901 4.709
27 1HG MET 7 2HG MET 7 3.538 2.828 4.252
28 2HG MET 7 1HG MET 7 2.537 1.544 3.579
29 1HE MET 7 1HE MET 7 -0.144 2.967 2.900
30 2HE MET 7 2HE MET 7 0.677 1.901 1.761
31 3HE MET 7 3HE MET 7 0.119 3.489 1.237
32 H ALA 8 H ALA 8 3.889 5.276 5.421
33 HA ALA 8 HA ALA 8 2.253 7.641 4.907
34 1HB ALA 8 1HB ALA 8 5.250 7.337 5.103
35 2HB ALA 8 2HB ALA 8 4.175 7.907 6.383
36 3HB ALA 8 3HB ALA 8 4.377 8.859 4.911
37 H THR 9 H THR 9 1.613 8.036 2.904
38 HA THR 9 HA THR 9 2.957 6.725 0.678
39 HB THR 9 HB THR 9 1.094 7.568 -0.677
40 HG1 THR 9 HG1 THR 9 0.031 8.595 1.763
41 1HG2 THR 9 1HG2 THR 9 -0.714 6.281 0.397
42 2HG2 THR 9 2HG2 THR 9 0.230 6.220 1.884
43 3HG2 THR 9 3HG2 THR 9 0.822 5.420 0.430
44 H LYS 10 H LYS 10 3.225 8.004 -1.358
45 HA LYS 10 HA LYS 10 4.721 10.411 -0.859
46 1HB LYS 10 2HB LYS 10 5.377 8.791 -2.610
47 2HB LYS 10 1HB LYS 10 3.889 9.136 -3.479
48 1HG LYS 10 2HG LYS 10 4.591 11.375 -3.926
49 2HG LYS 10 1HG LYS 10 5.990 11.201 -2.869
50 1HD LYS 10 2HD LYS 10 6.637 11.027 -5.212
51 2HD LYS 10 1HD LYS 10 6.911 9.502 -4.366
52 1HE LYS 10 2HE LYS 10 4.835 8.611 -5.284
53 2HE LYS 10 1HE LYS 10 4.532 10.140 -6.111
54 1HZ LYS 10 1HZ LYS 10 5.520 8.375 -7.527
55 2HZ LYS 10 2HZ LYS 10 6.929 8.453 -6.583
56 3HZ LYS 10 3HZ LYS 10 6.431 9.808 -7.475
57 H ASP 11 H ASP 11 1.506 9.564 -1.747
58 HA ASP 11 HA ASP 11 0.630 11.972 -2.899
59 1HB ASP 11 2HB ASP 11 -0.745 10.018 -3.082
60 2HB ASP 11 1HB ASP 11 -0.831 9.841 -1.333
61 H GLY 12 H GLY 12 0.832 10.898 0.457
62 1HA GLY 12 2HA GLY 12 1.423 12.757 2.034
63 2HA GLY 12 1HA GLY 12 0.087 13.637 1.300
64 H ARG 13 H ARG 13 -1.307 10.944 1.121
65 HA ARG 13 HA ARG 13 -2.799 11.128 3.532
66 1HB ARG 13 2HB ARG 13 -3.934 9.074 2.660
67 2HB ARG 13 1HB ARG 13 -3.894 10.403 1.510
68 1HG ARG 13 2HG ARG 13 -1.886 9.324 0.474
69 2HG ARG 13 1HG ARG 13 -2.175 7.936 1.521
70 1HD ARG 13 2HD ARG 13 -4.360 7.607 0.517
71 2HD ARG 13 1HD ARG 13 -4.132 9.040 -0.489
72 HE ARG 13 HE ARG 13 -2.012 7.192 -0.872
73 1HH1 ARG 13 1HH1 ARG 13 -5.373 7.747 -1.715
74 2HH1 ARG 13 2HH1 ARG 13 -5.269 6.847 -3.202
75 1HH2 ARG 13 1HH2 ARG 13 -1.879 5.990 -2.782
76 2HH2 ARG 13 2HH2 ARG 13 -3.302 5.799 -3.781
77 H MET 14 H MET 14 -2.688 9.960 5.373
78 HA MET 14 HA MET 14 -0.439 8.089 5.657
79 1HB MET 14 2HB MET 14 -2.124 9.455 7.772
80 2HB MET 14 1HB MET 14 -0.772 8.381 8.093
81 1HG MET 14 2HG MET 14 -0.590 11.014 6.647
82 2HG MET 14 1HG MET 14 -0.197 10.751 8.346
83 1HE MET 14 1HE MET 14 1.201 7.854 8.188
84 2HE MET 14 2HE MET 14 1.812 9.190 9.164
85 3HE MET 14 3HE MET 14 2.894 8.335 8.064
86 H ILE 15 H ILE 15 -1.229 6.162 4.926
87 HA ILE 15 HA ILE 15 -3.956 5.397 5.449
88 HB ILE 15 HB ILE 15 -1.713 3.822 4.170
89 1HG1 ILE 15 2HG1 ILE 15 -4.035 5.344 2.955
90 2HG1 ILE 15 1HG1 ILE 15 -2.349 5.850 2.923
91 1HG2 ILE 15 1HG2 ILE 15 -3.500 2.351 3.327
92 2HG2 ILE 15 2HG2 ILE 15 -4.676 3.250 4.283
93 3HG2 ILE 15 3HG2 ILE 15 -3.403 2.333 5.089
94 1HD1 ILE 15 1HD1 ILE 15 -3.032 4.890 0.800
95 2HD1 ILE 15 2HD1 ILE 15 -3.474 3.387 1.611
96 3HD1 ILE 15 3HD1 ILE 15 -1.789 3.903 1.570
97 H LEU 16 H LEU 16 -4.581 4.621 7.319
98 HA LEU 16 HA LEU 16 -2.821 3.438 9.223
99 1HB LEU 16 2HB LEU 16 -5.847 3.381 9.127
100 2HB LEU 16 1HB LEU 16 -4.863 2.946 10.506
101 HG LEU 16 HG LEU 16 -5.687 5.069 11.009
102 1HD1 LEU 16 1HD1 LEU 16 -2.956 5.526 9.837
103 2HD1 LEU 16 2HD1 LEU 16 -3.306 4.877 11.437
104 3HD1 LEU 16 3HD1 LEU 16 -3.755 6.535 11.042
105 1HD2 LEU 16 1HD2 LEU 16 -5.577 6.995 9.481
106 2HD2 LEU 16 2HD2 LEU 16 -6.585 5.686 8.861
107 3HD2 LEU 16 3HD2 LEU 16 -4.962 5.931 8.215
108 H THR 17 H THR 17 -2.144 1.372 9.260
109 HA THR 17 HA THR 17 -3.606 -0.543 7.569
110 HB THR 17 HB THR 17 -1.325 -1.695 7.346
111 HG1 THR 17 HG1 THR 17 -0.191 0.830 7.831
112 1HG2 THR 17 1HG2 THR 17 -1.644 1.055 6.116
113 2HG2 THR 17 2HG2 THR 17 -2.390 -0.425 5.516
114 3HG2 THR 17 3HG2 THR 17 -0.637 -0.255 5.497
115 H ASP 18 H ASP 18 -3.825 -2.660 8.293
116 HA ASP 18 HA ASP 18 -3.461 -3.223 11.092
117 1HB ASP 18 2HB ASP 18 -5.265 -4.307 9.795
118 2HB ASP 18 1HB ASP 18 -4.066 -5.072 8.760
119 H GLY 19 H GLY 19 -1.865 -3.778 8.072
120 1HA GLY 19 2HA GLY 19 0.661 -3.384 8.596
121 2HA GLY 19 1HA GLY 19 0.479 -4.953 9.378
122 H LYS 20 H LYS 20 2.247 -5.325 7.512
123 HA LYS 20 HA LYS 20 2.492 -7.039 6.042
124 1HB LYS 20 2HB LYS 20 -0.464 -7.223 6.432
125 2HB LYS 20 1HB LYS 20 0.334 -8.194 5.202
126 1HG LYS 20 2HG LYS 20 1.006 -8.195 8.137
127 2HG LYS 20 1HG LYS 20 0.050 -9.419 7.299
128 1HD LYS 20 2HD LYS 20 2.940 -8.731 6.769
129 2HD LYS 20 1HD LYS 20 2.337 -10.184 7.570
130 1HE LYS 20 2HE LYS 20 1.262 -10.917 5.555
131 2HE LYS 20 1HE LYS 20 1.648 -9.399 4.746
132 1HZ LYS 20 1HZ LYS 20 4.028 -9.976 5.044
133 2HZ LYS 20 2HZ LYS 20 3.186 -11.033 4.019
134 3HZ LYS 20 3HZ LYS 20 3.554 -11.504 5.608
135 HA PRO 21 HA PRO 21 1.647 -4.675 2.275
136 1HB PRO 21 2HB PRO 21 4.115 -3.719 1.813
137 2HB PRO 21 1HB PRO 21 2.997 -2.910 2.913
138 1HG PRO 21 2HG PRO 21 5.418 -4.475 3.510
139 2HG PRO 21 1HG PRO 21 4.614 -3.231 4.480
140 1HD PRO 21 2HD PRO 21 4.417 -6.093 4.738
141 2HD PRO 21 1HD PRO 21 3.625 -4.847 5.722
142 H GLU 22 H GLU 22 1.328 -6.700 1.271
143 HA GLU 22 HA GLU 22 3.638 -8.317 0.570
144 1HB GLU 22 2HB GLU 22 1.083 -8.985 1.140
145 2HB GLU 22 1HB GLU 22 0.970 -8.880 -0.610
146 1HG GLU 22 2HG GLU 22 1.421 -11.145 0.023
147 2HG GLU 22 1HG GLU 22 2.832 -10.478 -0.797
148 H ILE 23 H ILE 23 4.859 -7.350 -0.952
149 HA ILE 23 HA ILE 23 3.632 -5.692 -2.983
150 HB ILE 23 HB ILE 23 6.555 -6.323 -2.559
151 1HG1 ILE 23 2HG1 ILE 23 4.925 -3.959 -1.593
152 2HG1 ILE 23 1HG1 ILE 23 5.536 -5.252 -0.579
153 1HG2 ILE 23 1HG2 ILE 23 6.098 -5.512 -4.795
154 2HG2 ILE 23 2HG2 ILE 23 6.931 -4.266 -3.865
155 3HG2 ILE 23 3HG2 ILE 23 5.192 -4.145 -4.143
156 1HD1 ILE 23 1HD1 ILE 23 7.819 -4.592 -1.089
157 2HD1 ILE 23 2HD1 ILE 23 6.902 -3.250 -0.405
158 3HD1 ILE 23 3HD1 ILE 23 7.220 -3.307 -2.137
159 H ASP 24 H ASP 24 3.087 -6.369 -4.927
160 HA ASP 24 HA ASP 24 4.310 -8.800 -6.016
161 1HB ASP 24 2HB ASP 24 1.794 -7.287 -6.658
162 2HB ASP 24 1HB ASP 24 2.500 -8.380 -7.845
163 H ASP 25 H ASP 25 6.086 -8.469 -7.111
164 HA ASP 25 HA ASP 25 6.871 -5.854 -7.939
165 1HB ASP 25 2HB ASP 25 8.424 -7.532 -6.998
166 2HB ASP 25 1HB ASP 25 8.202 -8.523 -8.433
167 H ASP 26 H ASP 26 5.341 -8.505 -9.531
168 HA ASP 26 HA ASP 26 6.289 -8.086 -12.147
169 1HB ASP 26 2HB ASP 26 4.511 -9.505 -12.894
170 2HB ASP 26 1HB ASP 26 5.068 -10.134 -11.347
171 H THR 27 H THR 27 3.536 -6.754 -10.408
172 HA THR 27 HA THR 27 2.928 -5.034 -12.705
173 HB THR 27 HB THR 27 1.003 -6.244 -11.937
174 HG1 THR 27 HG1 THR 27 -0.370 -4.482 -11.362
175 1HG2 THR 27 1HG2 THR 27 0.139 -6.054 -9.645
176 2HG2 THR 27 2HG2 THR 27 1.566 -5.118 -9.197
177 3HG2 THR 27 3HG2 THR 27 1.735 -6.803 -9.692
178 H GLY 28 H GLY 28 4.048 -5.009 -9.408
179 1HA GLY 28 2HA GLY 28 5.232 -3.262 -8.392
180 2HA GLY 28 1HA GLY 28 4.643 -2.169 -9.638
181 H LEU 29 H LEU 29 2.737 -4.363 -7.634
182 HA LEU 29 HA LEU 29 1.439 -1.995 -6.455
183 1HB LEU 29 2HB LEU 29 0.152 -4.658 -7.063
184 2HB LEU 29 1HB LEU 29 -0.644 -3.262 -6.367
185 HG LEU 29 HG LEU 29 0.426 -3.516 -9.177
186 1HD1 LEU 29 1HD1 LEU 29 -1.668 -4.684 -8.809
187 2HD1 LEU 29 2HD1 LEU 29 -1.925 -3.250 -9.804
188 3HD1 LEU 29 3HD1 LEU 29 -2.374 -3.232 -8.098
189 1HD2 LEU 29 1HD2 LEU 29 -0.882 -1.149 -7.843
190 2HD2 LEU 29 2HD2 LEU 29 -0.495 -1.286 -9.559
191 3HD2 LEU 29 3HD2 LEU 29 0.800 -1.256 -8.362
192 H VAL 30 H VAL 30 0.770 -2.158 -4.282
193 HA VAL 30 HA VAL 30 2.131 -4.300 -2.782
194 HB VAL 30 HB VAL 30 1.461 -1.496 -1.863
195 1HG1 VAL 30 1HG1 VAL 30 2.921 -3.712 -0.432
196 2HG1 VAL 30 2HG1 VAL 30 1.307 -3.114 -0.042
197 3HG1 VAL 30 3HG1 VAL 30 2.710 -2.062 0.156
198 1HG2 VAL 30 1HG2 VAL 30 3.965 -1.308 -1.722
199 2HG2 VAL 30 2HG2 VAL 30 3.302 -1.384 -3.356
200 3HG2 VAL 30 3HG2 VAL 30 4.052 -2.812 -2.640
201 H SER 31 H SER 31 0.764 -5.775 -2.067
202 HA SER 31 HA SER 31 -2.010 -5.138 -1.533
203 1HB SER 31 2HB SER 31 -0.523 -7.747 -1.119
204 2HB SER 31 1HB SER 31 -2.272 -7.527 -1.150
205 HG SER 31 HG SER 31 -0.438 -7.593 -3.248
206 H TYR 32 H TYR 32 -2.270 -3.968 0.317
207 HA TYR 32 HA TYR 32 -0.832 -4.906 2.710
208 1HB TYR 32 2HB TYR 32 -1.022 -2.723 3.641
209 2HB TYR 32 1HB TYR 32 -0.479 -2.514 1.983
210 HD1 TYR 32 HD1 TYR 32 -2.172 -1.803 0.242
211 HD2 TYR 32 HD2 TYR 32 -3.006 -1.722 4.411
212 HE1 TYR 32 HE1 TYR 32 -4.021 -0.240 -0.162
213 HE2 TYR 32 HE2 TYR 32 -4.858 -0.161 4.019
214 HH TYR 32 HH TYR 32 -6.231 0.366 1.097
215 H HIS 33 H HIS 33 -2.024 -4.764 4.769
216 HA HIS 33 HA HIS 33 -4.817 -5.547 4.333
217 1HB HIS 33 2HB HIS 33 -2.970 -6.088 6.668
218 2HB HIS 33 1HB HIS 33 -4.670 -6.547 6.620
219 HD1 HIS 33 HD1 HIS 33 -2.685 -8.800 6.955
220 HD2 HIS 33 HD2 HIS 33 -3.923 -7.406 3.232
221 HE1 HIS 33 HE1 HIS 33 -2.239 -10.673 5.338
222 HE2 HIS 33 HE2 HIS 33 -2.817 -9.738 3.072
223 H ASP 34 H ASP 34 -6.262 -4.063 4.674
224 HA ASP 34 HA ASP 34 -5.760 -1.591 5.938
225 1HB ASP 34 2HB ASP 34 -7.870 -2.756 4.429
226 2HB ASP 34 1HB ASP 34 -8.555 -2.046 5.888
227 H GLN 35 H GLN 35 -7.371 -0.704 7.510
228 HA GLN 35 HA GLN 35 -7.048 -1.766 10.062
229 1HB GLN 35 2HB GLN 35 -9.302 0.024 9.125
230 2HB GLN 35 1HB GLN 35 -8.663 -0.103 10.758
231 1HG GLN 35 2HG GLN 35 -7.008 1.327 10.346
232 2HG GLN 35 1HG GLN 35 -6.645 0.606 8.779
233 1HE2 GLN 35 1HE2 GLN 35 -7.613 1.417 6.934
234 2HE2 GLN 35 2HE2 GLN 35 -8.501 2.908 6.921
235 H GLN 36 H GLN 36 -9.438 -2.370 7.619
236 HA GLN 36 HA GLN 36 -11.226 -3.736 9.463
237 1HB GLN 36 2HB GLN 36 -11.539 -3.580 6.469
238 2HB GLN 36 1HB GLN 36 -12.786 -3.829 7.680
239 1HG GLN 36 2HG GLN 36 -11.279 -1.289 7.114
240 2HG GLN 36 1HG GLN 36 -12.983 -1.615 6.805
241 1HE2 GLN 36 1HE2 GLN 36 -11.689 0.474 8.382
242 2HE2 GLN 36 2HE2 GLN 36 -12.345 0.344 9.983
243 H GLY 37 H GLY 37 -8.441 -4.527 7.946
244 1HA GLY 37 2HA GLY 37 -7.460 -6.630 7.745
245 2HA GLY 37 1HA GLY 37 -9.039 -7.364 7.984
246 H ASN 38 H ASN 38 -8.884 -4.866 5.664
247 HA ASN 38 HA ASN 38 -9.576 -6.717 3.567
248 1HB ASN 38 2HB ASN 38 -9.296 -3.707 3.589
249 2HB ASN 38 1HB ASN 38 -9.783 -4.634 2.175
250 1HD2 ASN 38 1HD2 ASN 38 -11.236 -2.586 3.639
251 2HD2 ASN 38 2HD2 ASN 38 -12.716 -3.337 4.151
252 H ALA 39 H ALA 39 -8.321 -7.447 1.980
253 HA ALA 39 HA ALA 39 -5.538 -6.516 1.894
254 1HB ALA 39 1HB ALA 39 -6.793 -8.983 0.693
255 2HB ALA 39 2HB ALA 39 -5.877 -8.916 2.200
256 3HB ALA 39 3HB ALA 39 -5.078 -8.575 0.665
257 H MET 40 H MET 40 -5.351 -4.821 0.550
258 HA MET 40 HA MET 40 -6.414 -5.145 -2.174
259 1HB MET 40 2HB MET 40 -7.127 -2.868 -2.292
260 2HB MET 40 1HB MET 40 -7.833 -3.555 -0.835
261 1HG MET 40 2HG MET 40 -6.179 -2.472 0.532
262 2HG MET 40 1HG MET 40 -5.340 -1.877 -0.897
263 1HE MET 40 1HE MET 40 -9.169 -2.067 -0.006
264 2HE MET 40 2HE MET 40 -9.461 -0.421 0.553
265 3HE MET 40 3HE MET 40 -8.404 -1.491 1.476
266 H GLN 41 H GLN 41 -5.333 -3.605 -3.719
267 HA GLN 41 HA GLN 41 -2.460 -3.560 -3.067
268 1HB GLN 41 2HB GLN 41 -3.772 -3.815 -5.778
269 2HB GLN 41 1HB GLN 41 -2.047 -3.895 -5.447
270 1HG GLN 41 2HG GLN 41 -2.319 -5.952 -4.243
271 2HG GLN 41 1HG GLN 41 -4.074 -5.848 -4.386
272 1HE2 GLN 41 1HE2 GLN 41 -5.047 -6.260 -6.362
273 2HE2 GLN 41 2HE2 GLN 41 -4.227 -7.069 -7.656
274 H ILE 42 H ILE 42 -1.582 -1.572 -2.917
275 HA ILE 42 HA ILE 42 -2.747 0.569 -4.569
276 HB ILE 42 HB ILE 42 -1.661 2.197 -3.247
277 1HG1 ILE 42 2HG1 ILE 42 -0.265 0.171 -1.524
278 2HG1 ILE 42 1HG1 ILE 42 0.473 0.703 -3.034
279 1HG2 ILE 42 1HG2 ILE 42 -3.635 1.326 -2.194
280 2HG2 ILE 42 2HG2 ILE 42 -2.438 1.724 -0.959
281 3HG2 ILE 42 3HG2 ILE 42 -2.700 0.044 -1.424
282 1HD1 ILE 42 1HD1 ILE 42 1.246 1.957 -1.059
283 2HD1 ILE 42 2HD1 ILE 42 -0.397 2.548 -0.825
284 3HD1 ILE 42 3HD1 ILE 42 0.496 2.974 -2.287
285 H ASN 43 H ASN 43 -0.855 2.172 -5.255
286 HA ASN 43 HA ASN 43 0.792 0.582 -7.021
287 1HB ASN 43 2HB ASN 43 -0.461 2.684 -7.689
288 2HB ASN 43 1HB ASN 43 0.726 3.588 -6.761
289 1HD2 ASN 43 1HD2 ASN 43 1.383 4.669 -8.626
290 2HD2 ASN 43 2HD2 ASN 43 2.383 3.897 -9.819
291 H ARG 44 H ARG 44 2.973 0.293 -6.885
292 HA ARG 44 HA ARG 44 4.299 0.656 -4.426
293 1HB ARG 44 2HB ARG 44 4.945 -1.040 -6.129
294 2HB ARG 44 1HB ARG 44 5.552 0.256 -7.153
295 1HG ARG 44 2HG ARG 44 7.045 0.860 -5.155
296 2HG ARG 44 1HG ARG 44 6.641 -0.747 -4.552
297 1HD ARG 44 2HD ARG 44 8.747 -0.752 -5.807
298 2HD ARG 44 1HD ARG 44 7.520 -1.750 -6.586
299 HE ARG 44 HE ARG 44 7.657 -0.410 -8.416
300 1HH1 ARG 44 1HH1 ARG 44 8.945 1.353 -5.668
301 2HH1 ARG 44 2HH1 ARG 44 9.373 2.758 -6.604
302 1HH2 ARG 44 1HH2 ARG 44 8.235 1.439 -9.652
303 2HH2 ARG 44 2HH2 ARG 44 8.972 2.803 -8.864
304 H ASP 45 H ASP 45 4.122 2.608 -7.315
305 HA ASP 45 HA ASP 45 6.228 4.387 -6.789
306 1HB ASP 45 2HB ASP 45 4.985 4.129 -8.959
307 2HB ASP 45 1HB ASP 45 3.657 5.032 -8.241
308 H ASP 46 H ASP 46 3.023 4.155 -5.494
309 HA ASP 46 HA ASP 46 3.007 6.847 -4.437
310 1HB ASP 46 2HB ASP 46 0.919 5.747 -5.193
311 2HB ASP 46 1HB ASP 46 1.106 4.551 -3.914
312 H VAL 47 H VAL 47 4.044 3.733 -3.442
313 HA VAL 47 HA VAL 47 3.862 4.084 -0.623
314 HB VAL 47 HB VAL 47 5.838 2.313 -2.068
315 1HG1 VAL 47 1HG1 VAL 47 6.198 2.530 0.331
316 2HG1 VAL 47 2HG1 VAL 47 5.632 0.906 -0.073
317 3HG1 VAL 47 3HG1 VAL 47 4.518 2.079 0.632
318 1HG2 VAL 47 1HG2 VAL 47 2.990 1.662 -1.343
319 2HG2 VAL 47 2HG2 VAL 47 4.171 0.545 -2.023
320 3HG2 VAL 47 3HG2 VAL 47 3.602 1.916 -2.977
321 H SER 48 H SER 48 4.933 5.629 0.439
322 HA SER 48 HA SER 48 7.521 6.512 -0.601
323 1HB SER 48 2HB SER 48 5.843 8.266 -0.265
324 2HB SER 48 1HB SER 48 5.688 7.816 1.433
325 HG SER 48 HG SER 48 8.235 8.452 0.441
326 H GLN 49 H GLN 49 6.063 6.059 2.645
327 HA GLN 49 HA GLN 49 8.422 4.523 3.437
328 1HB GLN 49 2HB GLN 49 7.414 6.876 5.055
329 2HB GLN 49 1HB GLN 49 8.721 5.791 5.505
330 1HG GLN 49 2HG GLN 49 9.930 6.584 3.439
331 2HG GLN 49 1HG GLN 49 8.689 7.828 3.295
332 1HE2 GLN 49 1HE2 GLN 49 10.058 9.530 3.618
333 2HE2 GLN 49 2HE2 GLN 49 10.816 9.853 5.142
334 H ILE 50 H ILE 50 7.994 3.838 5.888
335 HA ILE 50 HA ILE 50 5.175 2.979 6.026
336 HB ILE 50 HB ILE 50 7.559 1.622 7.310
337 1HG1 ILE 50 2HG1 ILE 50 7.644 1.419 4.859
338 2HG1 ILE 50 1HG1 ILE 50 7.295 -0.129 5.619
339 1HG2 ILE 50 1HG2 ILE 50 5.488 1.275 8.529
340 2HG2 ILE 50 2HG2 ILE 50 5.986 -0.217 7.729
341 3HG2 ILE 50 3HG2 ILE 50 4.682 0.759 7.048
342 1HD1 ILE 50 1HD1 ILE 50 4.930 0.140 5.061
343 2HD1 ILE 50 2HD1 ILE 50 5.958 0.186 3.628
344 3HD1 ILE 50 3HD1 ILE 50 5.293 1.683 4.284
345 H ILE 51 H ILE 51 7.784 3.059 8.417
346 HA ILE 51 HA ILE 51 6.064 4.694 10.159
347 HB ILE 51 HB ILE 51 6.414 2.376 10.976
348 1HG1 ILE 51 2HG1 ILE 51 7.836 4.437 12.667
349 2HG1 ILE 51 1HG1 ILE 51 6.089 4.246 12.566
350 1HG2 ILE 51 1HG2 ILE 51 8.569 1.889 10.034
351 2HG2 ILE 51 2HG2 ILE 51 8.657 1.717 11.787
352 3HG2 ILE 51 3HG2 ILE 51 9.323 3.150 11.009
353 1HD1 ILE 51 1HD1 ILE 51 6.976 3.219 14.577
354 2HD1 ILE 51 2HD1 ILE 51 8.037 2.199 13.603
355 3HD1 ILE 51 3HD1 ILE 51 6.285 2.002 13.502
356 H GLU 52 H GLU 52 7.200 6.218 11.559
357 HA GLU 52 HA GLU 52 9.212 7.643 10.157
358 1HB GLU 52 2HB GLU 52 9.306 9.065 12.216
359 2HB GLU 52 1HB GLU 52 7.702 8.886 11.528
360 1HG GLU 52 2HG GLU 52 8.456 6.982 13.655
361 2HG GLU 52 1HG GLU 52 8.211 8.661 14.132
362 H ARG 53 H ARG 53 11.327 8.197 10.937
363 HA ARG 53 HA ARG 53 12.787 5.880 11.798
364 1HB ARG 53 2HB ARG 53 13.665 8.699 11.147
365 2HB ARG 53 1HB ARG 53 14.769 7.390 11.540
366 1HG ARG 53 2HG ARG 53 12.843 7.324 9.232
367 2HG ARG 53 1HG ARG 53 14.520 7.852 9.108
368 1HD ARG 53 2HD ARG 53 15.272 5.653 9.862
369 2HD ARG 53 1HD ARG 53 13.595 5.125 10.017
370 HE ARG 53 HE ARG 53 13.677 5.878 7.450
371 1HH1 ARG 53 1HH1 ARG 53 15.907 3.882 9.301
372 2HH1 ARG 53 2HH1 ARG 53 16.363 2.919 7.928
373 1HH2 ARG 53 1HH2 ARG 53 14.269 4.602 5.673
374 2HH2 ARG 53 2HH2 ARG 53 15.416 3.311 5.868
Start of MODEL 7
1 H ASP 4 H ASP 4 4.146 0.700 17.002
2 HA ASP 4 HA ASP 4 1.511 0.587 15.953
3 1HB ASP 4 2HB ASP 4 3.629 2.735 15.703
4 2HB ASP 4 1HB ASP 4 1.930 2.932 15.287
5 H TYR 5 H TYR 5 0.816 0.762 13.838
6 HA TYR 5 HA TYR 5 2.840 0.378 11.753
7 1HB TYR 5 2HB TYR 5 0.225 -1.116 12.012
8 2HB TYR 5 1HB TYR 5 1.291 -1.194 10.615
9 HD1 TYR 5 HD1 TYR 5 3.860 -1.728 11.378
10 HD2 TYR 5 HD2 TYR 5 0.331 -2.925 13.429
11 HE1 TYR 5 HE1 TYR 5 5.097 -3.587 12.404
12 HE2 TYR 5 HE2 TYR 5 1.559 -4.787 14.460
13 HH TYR 5 HH TYR 5 4.964 -5.032 14.338
14 H VAL 6 H VAL 6 2.424 1.382 9.825
15 HA VAL 6 HA VAL 6 0.000 2.502 9.013
16 HB VAL 6 HB VAL 6 0.281 4.031 10.912
17 1HG1 VAL 6 1HG1 VAL 6 2.685 4.022 11.161
18 2HG1 VAL 6 2HG1 VAL 6 2.121 5.678 10.934
19 3HG1 VAL 6 3HG1 VAL 6 2.880 4.812 9.598
20 1HG2 VAL 6 1HG2 VAL 6 0.703 5.363 8.242
21 2HG2 VAL 6 2HG2 VAL 6 0.082 6.150 9.692
22 3HG2 VAL 6 3HG2 VAL 6 -0.840 4.856 8.926
23 H MET 7 H MET 7 0.152 2.966 6.899
24 HA MET 7 HA MET 7 2.859 3.031 5.754
25 1HB MET 7 2HB MET 7 1.326 1.113 5.167
26 2HB MET 7 1HB MET 7 0.282 2.278 4.367
27 1HG MET 7 2HG MET 7 3.164 2.026 3.614
28 2HG MET 7 1HG MET 7 1.954 0.922 2.968
29 1HE MET 7 1HE MET 7 -0.425 3.325 1.036
30 2HE MET 7 2HE MET 7 -0.583 2.784 2.707
31 3HE MET 7 3HE MET 7 -0.062 1.651 1.460
32 H ALA 8 H ALA 8 3.465 5.025 5.300
33 HA ALA 8 HA ALA 8 1.482 7.030 4.562
34 1HB ALA 8 1HB ALA 8 4.441 7.341 5.067
35 2HB ALA 8 2HB ALA 8 3.156 7.633 6.240
36 3HB ALA 8 3HB ALA 8 3.288 8.649 4.804
37 H THR 9 H THR 9 1.208 7.769 2.558
38 HA THR 9 HA THR 9 2.644 6.347 0.464
39 HB THR 9 HB THR 9 0.863 7.335 -1.014
40 HG1 THR 9 HG1 THR 9 -0.474 7.976 1.403
41 1HG2 THR 9 1HG2 THR 9 0.666 5.066 -0.130
42 2HG2 THR 9 2HG2 THR 9 -0.912 5.851 -0.192
43 3HG2 THR 9 3HG2 THR 9 -0.065 5.698 1.347
44 H LYS 10 H LYS 10 2.677 7.680 -1.634
45 HA LYS 10 HA LYS 10 4.701 9.561 -1.617
46 1HB LYS 10 2HB LYS 10 4.097 8.289 -3.558
47 2HB LYS 10 1HB LYS 10 2.484 8.976 -3.572
48 1HG LYS 10 2HG LYS 10 3.341 11.110 -4.257
49 2HG LYS 10 1HG LYS 10 5.004 10.537 -4.083
50 1HD LYS 10 2HD LYS 10 4.182 10.522 -6.436
51 2HD LYS 10 1HD LYS 10 4.699 8.936 -5.854
52 1HE LYS 10 2HE LYS 10 2.332 8.419 -5.324
53 2HE LYS 10 1HE LYS 10 1.867 9.956 -6.049
54 1HZ LYS 10 1HZ LYS 10 3.265 7.760 -7.483
55 2HZ LYS 10 2HZ LYS 10 2.699 9.206 -8.157
56 3HZ LYS 10 3HZ LYS 10 1.602 8.065 -7.555
57 H ASP 11 H ASP 11 1.194 10.054 -1.668
58 HA ASP 11 HA ASP 11 1.221 12.829 -2.149
59 1HB ASP 11 2HB ASP 11 -0.895 11.299 -0.631
60 2HB ASP 11 1HB ASP 11 -1.103 12.814 -1.500
61 H GLY 12 H GLY 12 1.609 10.948 0.747
62 1HA GLY 12 2HA GLY 12 2.666 11.991 2.671
63 2HA GLY 12 1HA GLY 12 1.751 13.450 2.306
64 H ARG 13 H ARG 13 -0.481 11.373 1.649
65 HA ARG 13 HA ARG 13 -1.819 11.528 4.158
66 1HB ARG 13 2HB ARG 13 -3.518 10.052 3.014
67 2HB ARG 13 1HB ARG 13 -3.170 11.568 2.190
68 1HG ARG 13 2HG ARG 13 -1.641 10.362 0.692
69 2HG ARG 13 1HG ARG 13 -2.086 8.855 1.482
70 1HD ARG 13 2HD ARG 13 -4.307 8.985 0.693
71 2HD ARG 13 1HD ARG 13 -4.105 10.660 0.180
72 HE ARG 13 HE ARG 13 -2.278 9.465 -1.341
73 1HH1 ARG 13 1HH1 ARG 13 -5.606 8.544 -0.680
74 2HH1 ARG 13 2HH1 ARG 13 -5.803 7.747 -2.211
75 1HH2 ARG 13 1HH2 ARG 13 -2.554 8.464 -3.336
76 2HH2 ARG 13 2HH2 ARG 13 -4.073 7.699 -3.728
77 H MET 14 H MET 14 -1.961 10.084 5.750
78 HA MET 14 HA MET 14 -0.201 7.749 5.570
79 1HB MET 14 2HB MET 14 -1.402 9.103 7.995
80 2HB MET 14 1HB MET 14 -0.259 7.765 8.033
81 1HG MET 14 2HG MET 14 1.431 9.155 6.983
82 2HG MET 14 1HG MET 14 0.290 10.493 6.886
83 1HE MET 14 1HE MET 14 2.042 8.813 10.809
84 2HE MET 14 2HE MET 14 2.511 8.269 9.199
85 3HE MET 14 3HE MET 14 0.898 7.907 9.815
86 H ILE 15 H ILE 15 -1.076 5.834 5.241
87 HA ILE 15 HA ILE 15 -3.940 5.485 5.737
88 HB ILE 15 HB ILE 15 -2.000 3.863 4.084
89 1HG1 ILE 15 2HG1 ILE 15 -4.312 5.657 3.310
90 2HG1 ILE 15 1HG1 ILE 15 -2.605 6.041 3.124
91 1HG2 ILE 15 1HG2 ILE 15 -3.931 2.573 3.332
92 2HG2 ILE 15 2HG2 ILE 15 -4.968 3.465 4.445
93 3HG2 ILE 15 3HG2 ILE 15 -3.698 2.412 5.073
94 1HD1 ILE 15 1HD1 ILE 15 -2.379 4.193 1.534
95 2HD1 ILE 15 2HD1 ILE 15 -3.571 5.385 1.013
96 3HD1 ILE 15 3HD1 ILE 15 -4.102 3.851 1.706
97 H LEU 16 H LEU 16 -4.662 4.271 7.349
98 HA LEU 16 HA LEU 16 -2.813 3.091 9.193
99 1HB LEU 16 2HB LEU 16 -5.810 3.302 9.087
100 2HB LEU 16 1HB LEU 16 -5.016 2.312 10.295
101 HG LEU 16 HG LEU 16 -5.546 4.419 11.287
102 1HD1 LEU 16 1HD1 LEU 16 -2.603 4.305 10.649
103 2HD1 LEU 16 2HD1 LEU 16 -3.425 3.439 11.946
104 3HD1 LEU 16 3HD1 LEU 16 -3.339 5.200 11.981
105 1HD2 LEU 16 1HD2 LEU 16 -5.769 5.759 9.266
106 2HD2 LEU 16 2HD2 LEU 16 -4.021 5.718 9.035
107 3HD2 LEU 16 3HD2 LEU 16 -4.707 6.545 10.434
108 H THR 17 H THR 17 -1.954 1.195 8.962
109 HA THR 17 HA THR 17 -3.464 -0.972 7.675
110 HB THR 17 HB THR 17 -1.052 -1.683 6.893
111 HG1 THR 17 HG1 THR 17 0.362 -0.233 7.560
112 1HG2 THR 17 1HG2 THR 17 -2.847 -1.088 5.339
113 2HG2 THR 17 2HG2 THR 17 -1.316 -0.395 4.804
114 3HG2 THR 17 3HG2 THR 17 -2.519 0.626 5.591
115 H ASP 18 H ASP 18 -3.018 -3.103 8.533
116 HA ASP 18 HA ASP 18 -1.333 -3.179 10.898
117 1HB ASP 18 2HB ASP 18 -1.774 -5.614 10.959
118 2HB ASP 18 1HB ASP 18 -3.259 -4.678 10.943
119 H GLY 19 H GLY 19 0.700 -4.317 10.931
120 1HA GLY 19 2HA GLY 19 2.167 -3.003 8.919
121 2HA GLY 19 1HA GLY 19 2.846 -4.068 10.136
122 H LYS 20 H LYS 20 3.625 -3.773 7.294
123 HA LYS 20 HA LYS 20 4.764 -5.431 6.157
124 1HB LYS 20 2HB LYS 20 2.879 -7.383 7.448
125 2HB LYS 20 1HB LYS 20 4.005 -7.833 6.179
126 1HG LYS 20 2HG LYS 20 5.851 -6.980 7.627
127 2HG LYS 20 1HG LYS 20 4.662 -6.780 8.917
128 1HD LYS 20 2HD LYS 20 5.310 -9.366 7.503
129 2HD LYS 20 1HD LYS 20 5.869 -8.909 9.113
130 1HE LYS 20 2HE LYS 20 3.635 -8.934 9.969
131 2HE LYS 20 1HE LYS 20 2.961 -9.123 8.351
132 1HZ LYS 20 1HZ LYS 20 3.847 -11.309 8.202
133 2HZ LYS 20 2HZ LYS 20 3.035 -11.201 9.687
134 3HZ LYS 20 3HZ LYS 20 4.731 -11.129 9.638
135 HA PRO 21 HA PRO 21 1.583 -4.842 2.952
136 1HB PRO 21 2HB PRO 21 3.081 -3.237 1.388
137 2HB PRO 21 1HB PRO 21 2.117 -2.607 2.730
138 1HG PRO 21 2HG PRO 21 5.049 -3.177 2.606
139 2HG PRO 21 1HG PRO 21 4.204 -1.801 3.340
140 1HD PRO 21 2HD PRO 21 5.136 -3.940 4.763
141 2HD PRO 21 1HD PRO 21 3.755 -2.947 5.269
142 H GLU 22 H GLU 22 1.503 -6.330 1.394
143 HA GLU 22 HA GLU 22 3.919 -7.826 0.767
144 1HB GLU 22 2HB GLU 22 1.344 -8.616 1.193
145 2HB GLU 22 1HB GLU 22 1.376 -8.543 -0.564
146 1HG GLU 22 2HG GLU 22 3.217 -10.152 1.192
147 2HG GLU 22 1HG GLU 22 1.885 -10.773 0.221
148 H ILE 23 H ILE 23 5.161 -7.018 -0.784
149 HA ILE 23 HA ILE 23 3.992 -5.279 -2.794
150 HB ILE 23 HB ILE 23 6.889 -5.979 -2.293
151 1HG1 ILE 23 2HG1 ILE 23 5.272 -3.534 -1.536
152 2HG1 ILE 23 1HG1 ILE 23 5.859 -4.757 -0.422
153 1HG2 ILE 23 1HG2 ILE 23 6.489 -5.294 -4.602
154 2HG2 ILE 23 2HG2 ILE 23 7.382 -4.054 -3.722
155 3HG2 ILE 23 3HG2 ILE 23 5.660 -3.844 -4.035
156 1HD1 ILE 23 1HD1 ILE 23 7.571 -2.915 -2.072
157 2HD1 ILE 23 2HD1 ILE 23 8.158 -4.143 -0.952
158 3HD1 ILE 23 3HD1 ILE 23 7.239 -2.765 -0.348
159 H ASP 24 H ASP 24 3.536 -5.843 -4.780
160 HA ASP 24 HA ASP 24 4.309 -8.488 -5.748
161 1HB ASP 24 2HB ASP 24 1.933 -7.790 -5.896
162 2HB ASP 24 1HB ASP 24 2.408 -6.450 -6.933
163 H ASP 25 H ASP 25 6.123 -8.635 -6.872
164 HA ASP 25 HA ASP 25 7.301 -6.244 -8.024
165 1HB ASP 25 2HB ASP 25 8.324 -9.037 -7.560
166 2HB ASP 25 1HB ASP 25 9.222 -7.872 -8.525
167 H ASP 26 H ASP 26 5.036 -8.187 -9.192
168 HA ASP 26 HA ASP 26 6.234 -8.546 -11.842
169 1HB ASP 26 2HB ASP 26 3.555 -9.438 -10.754
170 2HB ASP 26 1HB ASP 26 4.108 -9.726 -12.401
171 H THR 27 H THR 27 3.329 -7.118 -10.379
172 HA THR 27 HA THR 27 2.989 -5.475 -12.782
173 HB THR 27 HB THR 27 0.996 -6.642 -12.061
174 HG1 THR 27 HG1 THR 27 0.314 -4.786 -12.888
175 1HG2 THR 27 1HG2 THR 27 1.489 -6.927 -9.704
176 2HG2 THR 27 2HG2 THR 27 -0.085 -6.157 -9.914
177 3HG2 THR 27 3HG2 THR 27 1.313 -5.192 -9.442
178 H GLY 28 H GLY 28 4.146 -5.288 -9.566
179 1HA GLY 28 2HA GLY 28 5.350 -3.497 -8.671
180 2HA GLY 28 1HA GLY 28 4.725 -2.467 -9.951
181 H LEU 29 H LEU 29 2.737 -4.473 -7.867
182 HA LEU 29 HA LEU 29 1.534 -2.005 -6.813
183 1HB LEU 29 2HB LEU 29 0.354 -4.781 -6.959
184 2HB LEU 29 1HB LEU 29 -0.456 -3.361 -6.328
185 HG LEU 29 HG LEU 29 0.320 -3.901 -9.189
186 1HD1 LEU 29 1HD1 LEU 29 -2.347 -3.464 -7.860
187 2HD1 LEU 29 2HD1 LEU 29 -1.708 -5.007 -8.425
188 3HD1 LEU 29 3HD1 LEU 29 -2.079 -3.730 -9.583
189 1HD2 LEU 29 1HD2 LEU 29 0.754 -1.554 -8.642
190 2HD2 LEU 29 2HD2 LEU 29 -0.897 -1.396 -8.039
191 3HD2 LEU 29 3HD2 LEU 29 -0.607 -1.737 -9.746
192 H VAL 30 H VAL 30 0.705 -2.121 -4.585
193 HA VAL 30 HA VAL 30 2.359 -3.856 -2.863
194 HB VAL 30 HB VAL 30 1.503 -1.014 -2.272
195 1HG1 VAL 30 1HG1 VAL 30 3.252 -2.915 -0.719
196 2HG1 VAL 30 2HG1 VAL 30 1.632 -2.384 -0.269
197 3HG1 VAL 30 3HG1 VAL 30 2.960 -1.224 -0.311
198 1HG2 VAL 30 1HG2 VAL 30 4.234 -2.111 -2.944
199 2HG2 VAL 30 2HG2 VAL 30 3.883 -0.456 -2.445
200 3HG2 VAL 30 3HG2 VAL 30 3.249 -1.070 -3.973
201 H SER 31 H SER 31 1.063 -5.296 -1.940
202 HA SER 31 HA SER 31 -1.751 -4.757 -1.565
203 1HB SER 31 2HB SER 31 -0.189 -7.214 -0.749
204 2HB SER 31 1HB SER 31 -1.931 -7.084 -0.992
205 HG SER 31 HG SER 31 -0.073 -7.712 -2.777
206 H TYR 32 H TYR 32 -2.120 -3.381 0.067
207 HA TYR 32 HA TYR 32 -0.780 -3.816 2.637
208 1HB TYR 32 2HB TYR 32 -1.532 -1.619 3.276
209 2HB TYR 32 1HB TYR 32 -0.830 -1.504 1.669
210 HD1 TYR 32 HD1 TYR 32 -2.514 -1.599 -0.325
211 HD2 TYR 32 HD2 TYR 32 -3.632 -0.708 3.679
212 HE1 TYR 32 HE1 TYR 32 -4.557 -0.501 -1.143
213 HE2 TYR 32 HE2 TYR 32 -5.673 0.389 2.870
214 HH TYR 32 HH TYR 32 -6.767 0.109 -0.345
215 H HIS 33 H HIS 33 -2.439 -3.185 4.538
216 HA HIS 33 HA HIS 33 -4.825 -4.843 4.069
217 1HB HIS 33 2HB HIS 33 -3.006 -4.830 6.477
218 2HB HIS 33 1HB HIS 33 -4.589 -5.590 6.454
219 HD1 HIS 33 HD1 HIS 33 -1.535 -6.818 6.700
220 HD2 HIS 33 HD2 HIS 33 -4.317 -7.231 3.637
221 HE1 HIS 33 HE1 HIS 33 -0.912 -8.940 5.496
222 HE2 HIS 33 HE2 HIS 33 -2.788 -9.306 3.847
223 H ASP 34 H ASP 34 -6.680 -3.968 4.611
224 HA ASP 34 HA ASP 34 -7.006 -1.508 5.992
225 1HB ASP 34 2HB ASP 34 -8.709 -3.565 4.828
226 2HB ASP 34 1HB ASP 34 -9.348 -3.011 6.367
227 H GLN 35 H GLN 35 -7.655 -1.158 8.178
228 HA GLN 35 HA GLN 35 -6.971 -3.207 10.079
229 1HB GLN 35 2HB GLN 35 -8.503 -0.630 10.519
230 2HB GLN 35 1HB GLN 35 -7.820 -1.649 11.777
231 1HG GLN 35 2HG GLN 35 -5.567 -1.221 10.717
232 2HG GLN 35 1HG GLN 35 -6.367 0.018 9.751
233 1HE2 GLN 35 1HE2 GLN 35 -5.268 -0.904 12.898
234 2HE2 GLN 35 2HE2 GLN 35 -5.484 0.642 13.650
235 H GLN 36 H GLN 36 -9.499 -2.607 8.081
236 HA GLN 36 HA GLN 36 -11.631 -3.772 9.626
237 1HB GLN 36 2HB GLN 36 -12.006 -2.024 7.913
238 2HB GLN 36 1HB GLN 36 -11.408 -3.117 6.679
239 1HG GLN 36 2HG GLN 36 -13.284 -4.592 7.015
240 2HG GLN 36 1HG GLN 36 -13.861 -3.600 8.353
241 1HE2 GLN 36 1HE2 GLN 36 -12.473 -2.173 5.505
242 2HE2 GLN 36 2HE2 GLN 36 -13.943 -1.513 4.867
243 H GLY 37 H GLY 37 -8.960 -4.933 7.942
244 1HA GLY 37 2HA GLY 37 -8.355 -7.203 7.809
245 2HA GLY 37 1HA GLY 37 -10.047 -7.643 7.981
246 H ASN 38 H ASN 38 -8.888 -5.272 5.676
247 HA ASN 38 HA ASN 38 -9.648 -7.124 3.512
248 1HB ASN 38 2HB ASN 38 -9.911 -4.137 3.741
249 2HB ASN 38 1HB ASN 38 -9.958 -4.948 2.179
250 1HD2 ASN 38 1HD2 ASN 38 -11.992 -3.431 3.697
251 2HD2 ASN 38 2HD2 ASN 38 -13.358 -4.493 3.809
252 H ALA 39 H ALA 39 -8.125 -7.740 2.132
253 HA ALA 39 HA ALA 39 -5.565 -6.346 2.088
254 1HB ALA 39 1HB ALA 39 -5.587 -8.798 2.148
255 2HB ALA 39 2HB ALA 39 -4.802 -8.191 0.691
256 3HB ALA 39 3HB ALA 39 -6.445 -8.826 0.607
257 H MET 40 H MET 40 -5.139 -4.790 0.669
258 HA MET 40 HA MET 40 -6.497 -4.806 -1.933
259 1HB MET 40 2HB MET 40 -6.341 -2.468 -0.024
260 2HB MET 40 1HB MET 40 -6.747 -2.300 -1.727
261 1HG MET 40 2HG MET 40 -8.710 -3.662 -1.431
262 2HG MET 40 1HG MET 40 -8.282 -3.963 0.253
263 1HE MET 40 1HE MET 40 -8.628 -2.324 2.193
264 2HE MET 40 2HE MET 40 -8.887 -0.590 1.991
265 3HE MET 40 3HE MET 40 -7.375 -1.325 1.457
266 H GLN 41 H GLN 41 -5.377 -3.438 -3.544
267 HA GLN 41 HA GLN 41 -2.491 -3.338 -2.917
268 1HB GLN 41 2HB GLN 41 -3.707 -3.952 -5.611
269 2HB GLN 41 1HB GLN 41 -2.008 -4.029 -5.175
270 1HG GLN 41 2HG GLN 41 -2.555 -5.872 -3.602
271 2HG GLN 41 1HG GLN 41 -4.210 -5.840 -4.213
272 1HE2 GLN 41 1HE2 GLN 41 -0.931 -6.726 -4.863
273 2HE2 GLN 41 2HE2 GLN 41 -1.236 -7.611 -6.325
274 H ILE 42 H ILE 42 -1.630 -1.359 -3.064
275 HA ILE 42 HA ILE 42 -2.815 0.535 -4.983
276 HB ILE 42 HB ILE 42 -1.796 2.333 -3.852
277 1HG1 ILE 42 2HG1 ILE 42 -0.296 0.576 -1.933
278 2HG1 ILE 42 1HG1 ILE 42 0.390 0.948 -3.512
279 1HG2 ILE 42 1HG2 ILE 42 -2.667 0.407 -1.704
280 2HG2 ILE 42 2HG2 ILE 42 -3.730 1.432 -2.671
281 3HG2 ILE 42 3HG2 ILE 42 -2.577 2.163 -1.554
282 1HD1 ILE 42 1HD1 ILE 42 -0.538 3.045 -1.574
283 2HD1 ILE 42 2HD1 ILE 42 0.405 3.268 -3.052
284 3HD1 ILE 42 3HD1 ILE 42 1.118 2.450 -1.662
285 H ASN 43 H ASN 43 -0.840 2.047 -5.834
286 HA ASN 43 HA ASN 43 0.911 0.227 -7.242
287 1HB ASN 43 2HB ASN 43 0.791 3.249 -7.261
288 2HB ASN 43 1HB ASN 43 1.800 2.277 -8.316
289 1HD2 ASN 43 1HD2 ASN 43 -1.241 3.641 -7.784
290 2HD2 ASN 43 2HD2 ASN 43 -2.052 2.985 -9.170
291 H ARG 44 H ARG 44 3.131 -0.003 -6.972
292 HA ARG 44 HA ARG 44 4.295 0.831 -4.494
293 1HB ARG 44 2HB ARG 44 4.984 -1.228 -5.759
294 2HB ARG 44 1HB ARG 44 5.720 -0.185 -6.968
295 1HG ARG 44 2HG ARG 44 7.338 0.604 -5.436
296 2HG ARG 44 1HG ARG 44 6.491 -0.112 -4.067
297 1HD ARG 44 2HD ARG 44 8.434 -1.435 -4.634
298 2HD ARG 44 1HD ARG 44 6.963 -2.347 -4.964
299 HE ARG 44 HE ARG 44 7.911 -0.950 -7.276
300 1HH1 ARG 44 1HH1 ARG 44 8.376 -3.813 -5.317
301 2HH1 ARG 44 2HH1 ARG 44 9.085 -4.752 -6.595
302 1HH2 ARG 44 1HH2 ARG 44 8.851 -2.173 -8.977
303 2HH2 ARG 44 2HH2 ARG 44 9.347 -3.818 -8.682
304 H ASP 45 H ASP 45 3.694 2.277 -7.423
305 HA ASP 45 HA ASP 45 5.699 4.302 -7.438
306 1HB ASP 45 2HB ASP 45 4.397 3.631 -9.432
307 2HB ASP 45 1HB ASP 45 2.929 4.218 -8.667
308 H ASP 46 H ASP 46 2.855 3.708 -5.615
309 HA ASP 46 HA ASP 46 2.509 6.546 -4.975
310 1HB ASP 46 2HB ASP 46 0.658 4.193 -4.589
311 2HB ASP 46 1HB ASP 46 0.334 5.797 -3.943
312 H VAL 47 H VAL 47 3.818 3.701 -3.595
313 HA VAL 47 HA VAL 47 3.390 4.530 -0.862
314 HB VAL 47 HB VAL 47 5.140 2.809 -0.289
315 1HG1 VAL 47 1HG1 VAL 47 2.733 2.300 -0.264
316 2HG1 VAL 47 2HG1 VAL 47 3.713 0.901 -0.702
317 3HG1 VAL 47 3HG1 VAL 47 2.843 1.791 -1.951
318 1HG2 VAL 47 1HG2 VAL 47 4.951 2.158 -3.222
319 2HG2 VAL 47 2HG2 VAL 47 5.819 1.229 -1.999
320 3HG2 VAL 47 3HG2 VAL 47 6.350 2.860 -2.412
321 H SER 48 H SER 48 5.195 5.083 0.602
322 HA SER 48 HA SER 48 7.512 6.286 -0.649
323 1HB SER 48 2HB SER 48 5.838 8.033 -0.929
324 2HB SER 48 1HB SER 48 5.436 7.954 0.784
325 HG SER 48 HG SER 48 8.029 8.606 -0.188
326 H GLN 49 H GLN 49 5.677 6.413 2.432
327 HA GLN 49 HA GLN 49 8.255 6.053 3.813
328 1HB GLN 49 2HB GLN 49 7.364 8.343 4.024
329 2HB GLN 49 1HB GLN 49 5.878 7.697 4.703
330 1HG GLN 49 2HG GLN 49 7.152 6.811 6.606
331 2HG GLN 49 1HG GLN 49 8.621 7.519 5.929
332 1HE2 GLN 49 1HE2 GLN 49 5.570 8.161 7.450
333 2HE2 GLN 49 2HE2 GLN 49 5.873 9.818 7.852
334 H ILE 50 H ILE 50 8.198 3.941 4.314
335 HA ILE 50 HA ILE 50 5.868 2.970 5.837
336 HB ILE 50 HB ILE 50 7.893 1.328 4.298
337 1HG1 ILE 50 2HG1 ILE 50 4.983 1.894 3.679
338 2HG1 ILE 50 1HG1 ILE 50 6.353 2.622 2.847
339 1HG2 ILE 50 1HG2 ILE 50 6.389 -0.558 4.764
340 2HG2 ILE 50 2HG2 ILE 50 5.381 0.499 5.751
341 3HG2 ILE 50 3HG2 ILE 50 7.037 0.146 6.245
342 1HD1 ILE 50 1HD1 ILE 50 7.034 0.434 2.035
343 2HD1 ILE 50 2HD1 ILE 50 5.377 0.806 1.559
344 3HD1 ILE 50 3HD1 ILE 50 5.683 -0.310 2.890
345 H ILE 51 H ILE 51 6.287 3.054 7.945
346 HA ILE 51 HA ILE 51 9.062 2.733 8.850
347 HB ILE 51 HB ILE 51 6.737 3.828 10.440
348 1HG1 ILE 51 2HG1 ILE 51 8.846 5.337 8.871
349 2HG1 ILE 51 1HG1 ILE 51 7.153 5.197 8.417
350 1HG2 ILE 51 1HG2 ILE 51 8.583 3.056 11.807
351 2HG2 ILE 51 2HG2 ILE 51 8.524 4.819 11.822
352 3HG2 ILE 51 3HG2 ILE 51 9.724 3.985 10.833
353 1HD1 ILE 51 1HD1 ILE 51 7.636 7.348 9.440
354 2HD1 ILE 51 2HD1 ILE 51 8.196 6.535 10.903
355 3HD1 ILE 51 3HD1 ILE 51 6.503 6.415 10.420
356 H GLU 52 H GLU 52 6.146 1.069 8.672
357 HA GLU 52 HA GLU 52 5.883 -0.318 11.051
358 1HB GLU 52 2HB GLU 52 5.545 -1.655 8.373
359 2HB GLU 52 1HB GLU 52 4.650 -1.945 9.857
360 1HG GLU 52 2HG GLU 52 3.546 0.192 9.650
361 2HG GLU 52 1HG GLU 52 4.498 0.566 8.211
362 H ARG 53 H ARG 53 7.191 -1.889 8.185
363 HA ARG 53 HA ARG 53 8.868 -3.339 7.814
364 1HB ARG 53 2HB ARG 53 10.156 -1.306 8.363
365 2HB ARG 53 1HB ARG 53 10.220 -1.818 10.040
366 1HG ARG 53 2HG ARG 53 11.609 -3.670 9.508
367 2HG ARG 53 1HG ARG 53 11.361 -3.436 7.775
368 1HD ARG 53 2HD ARG 53 13.554 -2.607 8.570
369 2HD ARG 53 1HD ARG 53 12.561 -1.357 7.823
370 HE ARG 53 HE ARG 53 12.817 -1.653 10.753
371 1HH1 ARG 53 1HH1 ARG 53 12.651 0.312 7.866
372 2HH1 ARG 53 2HH1 ARG 53 12.940 1.802 8.711
373 1HH2 ARG 53 1HH2 ARG 53 13.196 0.338 11.877
374 2HH2 ARG 53 2HH2 ARG 53 13.233 1.820 10.960
Start of MODEL 8
1 H ASP 4 H ASP 4 -1.428 -3.594 15.037
2 HA ASP 4 HA ASP 4 -1.336 -3.566 12.178
3 1HB ASP 4 2HB ASP 4 -2.648 -1.499 12.367
4 2HB ASP 4 1HB ASP 4 -3.321 -2.780 13.367
5 H TYR 5 H TYR 5 -0.855 -1.364 11.119
6 HA TYR 5 HA TYR 5 1.553 -0.098 12.132
7 1HB TYR 5 2HB TYR 5 2.174 -2.296 10.940
8 2HB TYR 5 1HB TYR 5 1.659 -1.504 9.460
9 HD1 TYR 5 HD2 TYR 5 3.812 -0.622 12.395
10 HD2 TYR 5 HD1 TYR 5 3.386 -0.720 8.162
11 HE1 TYR 5 HE2 TYR 5 6.063 0.336 12.153
12 HE2 TYR 5 HE1 TYR 5 5.638 0.238 7.909
13 HH TYR 5 HH TYR 5 7.270 1.495 9.141
14 H VAL 6 H VAL 6 2.369 1.333 10.046
15 HA VAL 6 HA VAL 6 -0.017 2.568 8.885
16 HB VAL 6 HB VAL 6 0.518 3.822 10.928
17 1HG1 VAL 6 1HG1 VAL 6 2.588 5.115 11.110
18 2HG1 VAL 6 2HG1 VAL 6 3.189 4.352 9.636
19 3HG1 VAL 6 3HG1 VAL 6 2.897 3.379 11.078
20 1HG2 VAL 6 1HG2 VAL 6 0.661 6.061 9.934
21 2HG2 VAL 6 2HG2 VAL 6 -0.476 5.020 9.079
22 3HG2 VAL 6 3HG2 VAL 6 1.117 5.335 8.392
23 H MET 7 H MET 7 0.266 3.438 6.879
24 HA MET 7 HA MET 7 2.977 3.286 5.737
25 1HB MET 7 2HB MET 7 1.631 1.413 4.923
26 2HB MET 7 1HB MET 7 0.363 2.522 4.417
27 1HG MET 7 2HG MET 7 1.867 3.504 2.770
28 2HG MET 7 1HG MET 7 3.154 2.416 3.289
29 1HE MET 7 1HE MET 7 -0.669 1.619 2.936
30 2HE MET 7 2HE MET 7 -0.752 0.957 1.303
31 3HE MET 7 3HE MET 7 -0.382 2.663 1.543
32 H ALA 8 H ALA 8 3.657 5.246 5.232
33 HA ALA 8 HA ALA 8 1.736 7.352 4.609
34 1HB ALA 8 1HB ALA 8 3.647 8.867 4.751
35 2HB ALA 8 2HB ALA 8 4.736 7.490 4.940
36 3HB ALA 8 3HB ALA 8 3.542 7.850 6.189
37 H THR 9 H THR 9 1.208 7.781 2.559
38 HA THR 9 HA THR 9 2.856 6.598 0.452
39 HB THR 9 HB THR 9 0.921 7.004 -1.026
40 HG1 THR 9 HG1 THR 9 -0.585 8.328 -0.382
41 1HG2 THR 9 1HG2 THR 9 -0.547 5.309 -0.055
42 2HG2 THR 9 2HG2 THR 9 0.238 5.516 1.511
43 3HG2 THR 9 3HG2 THR 9 1.148 4.866 0.147
44 H LYS 10 H LYS 10 2.531 7.882 -1.689
45 HA LYS 10 HA LYS 10 4.119 10.071 -1.883
46 1HB LYS 10 2HB LYS 10 3.269 8.781 -3.773
47 2HB LYS 10 1HB LYS 10 1.649 9.397 -3.492
48 1HG LYS 10 2HG LYS 10 2.324 11.610 -4.133
49 2HG LYS 10 1HG LYS 10 4.009 11.095 -4.264
50 1HD LYS 10 2HD LYS 10 2.958 11.209 -6.466
51 2HD LYS 10 1HD LYS 10 3.393 9.544 -6.060
52 1HE LYS 10 2HE LYS 10 1.080 9.124 -5.363
53 2HE LYS 10 1HE LYS 10 0.656 10.780 -5.789
54 1HZ LYS 10 1HZ LYS 10 1.265 10.294 -8.085
55 2HZ LYS 10 2HZ LYS 10 0.035 9.271 -7.535
56 3HZ LYS 10 3HZ LYS 10 1.621 8.688 -7.665
57 H ASP 11 H ASP 11 0.665 10.034 -1.229
58 HA ASP 11 HA ASP 11 0.143 12.776 -1.632
59 1HB ASP 11 2HB ASP 11 -1.424 11.035 0.258
60 2HB ASP 11 1HB ASP 11 -2.010 12.333 -0.772
61 H GLY 12 H GLY 12 1.626 11.091 0.966
62 1HA GLY 12 2HA GLY 12 2.622 12.076 2.855
63 2HA GLY 12 1HA GLY 12 1.646 13.518 2.594
64 H ARG 13 H ARG 13 -0.382 10.994 2.232
65 HA ARG 13 HA ARG 13 -1.568 11.408 4.831
66 1HB ARG 13 2HB ARG 13 -3.397 9.989 3.971
67 2HB ARG 13 1HB ARG 13 -3.032 11.326 2.890
68 1HG ARG 13 2HG ARG 13 -1.727 9.785 1.471
69 2HG ARG 13 1HG ARG 13 -2.181 8.461 2.542
70 1HD ARG 13 2HD ARG 13 -4.492 8.705 1.984
71 2HD ARG 13 1HD ARG 13 -4.174 10.192 1.088
72 HE ARG 13 HE ARG 13 -2.640 8.324 -0.165
73 1HH1 ARG 13 1HH1 ARG 13 -6.047 8.580 0.607
74 2HH1 ARG 13 2HH1 ARG 13 -6.555 7.635 -0.765
75 1HH2 ARG 13 1HH2 ARG 13 -3.306 7.101 -1.975
76 2HH2 ARG 13 2HH2 ARG 13 -4.995 6.789 -2.217
77 H MET 14 H MET 14 -1.798 9.900 6.431
78 HA MET 14 HA MET 14 -0.012 7.590 6.241
79 1HB MET 14 2HB MET 14 -1.327 8.915 8.616
80 2HB MET 14 1HB MET 14 -0.333 7.468 8.719
81 1HG MET 14 2HG MET 14 1.576 8.703 7.852
82 2HG MET 14 1HG MET 14 0.584 10.150 7.711
83 1HE MET 14 1HE MET 14 2.553 11.389 9.101
84 2HE MET 14 2HE MET 14 3.409 9.857 9.276
85 3HE MET 14 3HE MET 14 3.088 10.853 10.696
86 H ILE 15 H ILE 15 -1.034 5.909 5.365
87 HA ILE 15 HA ILE 15 -3.845 5.431 5.883
88 HB ILE 15 HB ILE 15 -1.846 3.808 4.290
89 1HG1 ILE 15 2HG1 ILE 15 -3.983 5.754 3.379
90 2HG1 ILE 15 1HG1 ILE 15 -2.248 6.058 3.368
91 1HG2 ILE 15 1HG2 ILE 15 -3.786 2.671 3.339
92 2HG2 ILE 15 2HG2 ILE 15 -4.854 3.598 4.392
93 3HG2 ILE 15 3HG2 ILE 15 -3.715 2.444 5.087
94 1HD1 ILE 15 1HD1 ILE 15 -1.947 4.264 1.738
95 2HD1 ILE 15 2HD1 ILE 15 -3.059 5.502 1.153
96 3HD1 ILE 15 3HD1 ILE 15 -3.686 3.966 1.750
97 H LEU 16 H LEU 16 -4.614 4.163 7.435
98 HA LEU 16 HA LEU 16 -2.817 2.803 9.214
99 1HB LEU 16 2HB LEU 16 -5.831 2.963 9.139
100 2HB LEU 16 1HB LEU 16 -4.939 2.090 10.365
101 HG LEU 16 HG LEU 16 -5.536 4.153 11.339
102 1HD1 LEU 16 1HD1 LEU 16 -3.254 3.475 11.809
103 2HD1 LEU 16 2HD1 LEU 16 -3.402 5.232 11.786
104 3HD1 LEU 16 3HD1 LEU 16 -2.680 4.390 10.413
105 1HD2 LEU 16 1HD2 LEU 16 -6.148 5.387 9.350
106 2HD2 LEU 16 2HD2 LEU 16 -4.456 5.502 8.865
107 3HD2 LEU 16 3HD2 LEU 16 -5.015 6.332 10.317
108 H THR 17 H THR 17 -2.162 0.791 9.066
109 HA THR 17 HA THR 17 -3.645 -1.045 7.303
110 HB THR 17 HB THR 17 -1.439 -2.054 6.689
111 HG1 THR 17 HG1 THR 17 -0.536 -0.006 8.398
112 1HG2 THR 17 1HG2 THR 17 -1.724 0.887 6.049
113 2HG2 THR 17 2HG2 THR 17 -2.470 -0.448 5.170
114 3HG2 THR 17 3HG2 THR 17 -0.717 -0.257 5.165
115 H ASP 18 H ASP 18 -3.468 -3.312 7.862
116 HA ASP 18 HA ASP 18 -3.155 -3.867 10.664
117 1HB ASP 18 2HB ASP 18 -4.711 -5.134 9.166
118 2HB ASP 18 1HB ASP 18 -3.309 -5.824 8.357
119 H GLY 19 H GLY 19 -1.139 -3.528 8.037
120 1HA GLY 19 2HA GLY 19 1.180 -3.061 8.529
121 2HA GLY 19 1HA GLY 19 1.169 -4.435 9.629
122 H LYS 20 H LYS 20 3.103 -4.158 7.483
123 HA LYS 20 HA LYS 20 4.119 -5.797 6.293
124 1HB LYS 20 2HB LYS 20 1.743 -7.512 7.007
125 2HB LYS 20 1HB LYS 20 3.237 -8.083 6.268
126 1HG LYS 20 2HG LYS 20 4.431 -7.106 8.284
127 2HG LYS 20 1HG LYS 20 2.840 -6.949 9.023
128 1HD LYS 20 2HD LYS 20 3.782 -8.988 9.797
129 2HD LYS 20 1HD LYS 20 2.524 -9.405 8.631
130 1HE LYS 20 2HE LYS 20 4.077 -9.985 6.986
131 2HE LYS 20 1HE LYS 20 5.393 -9.139 7.799
132 1HZ LYS 20 1HZ LYS 20 5.388 -10.795 9.523
133 2HZ LYS 20 2HZ LYS 20 5.542 -11.564 8.018
134 3HZ LYS 20 3HZ LYS 20 4.055 -11.580 8.833
135 HA PRO 21 HA PRO 21 1.607 -4.733 2.645
136 1HB PRO 21 2HB PRO 21 3.448 -3.209 1.401
137 2HB PRO 21 1HB PRO 21 2.412 -2.573 2.683
138 1HG PRO 21 2HG PRO 21 5.273 -3.383 2.785
139 2HG PRO 21 1HG PRO 21 4.439 -2.078 3.645
140 1HD PRO 21 2HD PRO 21 5.098 -4.569 4.709
141 2HD PRO 21 1HD PRO 21 3.914 -3.434 5.385
142 H GLU 22 H GLU 22 1.491 -6.392 1.285
143 HA GLU 22 HA GLU 22 3.849 -7.846 0.466
144 1HB GLU 22 2HB GLU 22 1.757 -9.052 0.915
145 2HB GLU 22 1HB GLU 22 0.949 -8.138 -0.350
146 1HG GLU 22 2HG GLU 22 1.449 -10.255 -1.252
147 2HG GLU 22 1HG GLU 22 2.584 -9.116 -1.972
148 H ILE 23 H ILE 23 5.087 -6.639 -0.835
149 HA ILE 23 HA ILE 23 3.904 -5.063 -2.945
150 HB ILE 23 HB ILE 23 6.833 -5.596 -2.421
151 1HG1 ILE 23 2HG1 ILE 23 5.065 -3.323 -1.485
152 2HG1 ILE 23 1HG1 ILE 23 5.783 -4.561 -0.466
153 1HG2 ILE 23 1HG2 ILE 23 6.379 -4.809 -4.676
154 2HG2 ILE 23 2HG2 ILE 23 7.174 -3.545 -3.736
155 3HG2 ILE 23 3HG2 ILE 23 5.438 -3.462 -4.035
156 1HD1 ILE 23 1HD1 ILE 23 7.310 -2.512 -2.053
157 2HD1 ILE 23 2HD1 ILE 23 8.005 -3.735 -0.987
158 3HD1 ILE 23 3HD1 ILE 23 6.993 -2.454 -0.320
159 H ASP 24 H ASP 24 3.146 -6.140 -4.630
160 HA ASP 24 HA ASP 24 4.153 -8.649 -5.518
161 1HB ASP 24 2HB ASP 24 2.216 -6.640 -6.628
162 2HB ASP 24 1HB ASP 24 2.766 -7.979 -7.631
163 H ASP 25 H ASP 25 5.978 -8.967 -6.559
164 HA ASP 25 HA ASP 25 7.608 -6.708 -7.181
165 1HB ASP 25 2HB ASP 25 8.449 -8.809 -6.118
166 2HB ASP 25 1HB ASP 25 8.184 -9.640 -7.645
167 H ASP 26 H ASP 26 5.644 -8.890 -9.031
168 HA ASP 26 HA ASP 26 7.063 -8.338 -11.488
169 1HB ASP 26 2HB ASP 26 6.111 -10.586 -11.067
170 2HB ASP 26 1HB ASP 26 4.495 -9.887 -11.097
171 H THR 27 H THR 27 3.777 -7.737 -10.245
172 HA THR 27 HA THR 27 3.167 -6.087 -12.539
173 HB THR 27 HB THR 27 1.381 -7.472 -11.674
174 HG1 THR 27 HG1 THR 27 0.793 -5.425 -12.549
175 1HG2 THR 27 1HG2 THR 27 2.076 -7.568 -9.329
176 2HG2 THR 27 2HG2 THR 27 0.381 -7.105 -9.484
177 3HG2 THR 27 3HG2 THR 27 1.600 -5.882 -9.123
178 H GLY 28 H GLY 28 4.158 -5.602 -9.219
179 1HA GLY 28 2HA GLY 28 5.176 -3.643 -8.425
180 2HA GLY 28 1HA GLY 28 4.532 -2.776 -9.809
181 H LEU 29 H LEU 29 2.431 -4.785 -7.943
182 HA LEU 29 HA LEU 29 1.057 -2.384 -6.965
183 1HB LEU 29 2HB LEU 29 0.032 -5.224 -7.072
184 2HB LEU 29 1HB LEU 29 -0.896 -3.793 -6.671
185 HG LEU 29 HG LEU 29 0.264 -4.481 -9.369
186 1HD1 LEU 29 1HD1 LEU 29 -2.576 -4.293 -8.377
187 2HD1 LEU 29 2HD1 LEU 29 -1.707 -5.769 -8.796
188 3HD1 LEU 29 3HD1 LEU 29 -2.089 -4.587 -10.046
189 1HD2 LEU 29 1HD2 LEU 29 -0.866 -2.467 -10.173
190 2HD2 LEU 29 2HD2 LEU 29 0.391 -2.081 -8.998
191 3HD2 LEU 29 3HD2 LEU 29 -1.306 -2.051 -8.517
192 H VAL 30 H VAL 30 0.687 -2.059 -4.805
193 HA VAL 30 HA VAL 30 2.136 -3.857 -2.990
194 HB VAL 30 HB VAL 30 1.097 -1.072 -2.435
195 1HG1 VAL 30 1HG1 VAL 30 1.317 -2.459 -0.427
196 2HG1 VAL 30 2HG1 VAL 30 2.520 -1.169 -0.450
197 3HG1 VAL 30 3HG1 VAL 30 2.988 -2.819 -0.860
198 1HG2 VAL 30 1HG2 VAL 30 3.457 -0.383 -2.583
199 2HG2 VAL 30 2HG2 VAL 30 2.842 -0.997 -4.117
200 3HG2 VAL 30 3HG2 VAL 30 3.882 -2.009 -3.115
201 H SER 31 H SER 31 0.791 -5.452 -2.437
202 HA SER 31 HA SER 31 -2.009 -4.954 -1.856
203 1HB SER 31 2HB SER 31 -0.428 -7.524 -1.590
204 2HB SER 31 1HB SER 31 -2.185 -7.359 -1.669
205 HG SER 31 HG SER 31 -0.288 -7.279 -3.697
206 H TYR 32 H TYR 32 -2.511 -4.138 0.108
207 HA TYR 32 HA TYR 32 -0.905 -5.083 2.391
208 1HB TYR 32 2HB TYR 32 -1.110 -2.917 3.444
209 2HB TYR 32 1HB TYR 32 -0.439 -2.708 1.831
210 HD1 TYR 32 HD2 TYR 32 -1.994 -1.923 -0.018
211 HD2 TYR 32 HD1 TYR 32 -3.059 -1.792 4.094
212 HE1 TYR 32 HE2 TYR 32 -3.735 -0.264 -0.525
213 HE2 TYR 32 HE1 TYR 32 -4.797 -0.129 3.598
214 HH TYR 32 HH TYR 32 -5.326 1.522 1.915
215 H HIS 33 H HIS 33 -1.994 -5.019 4.473
216 HA HIS 33 HA HIS 33 -4.774 -5.846 4.196
217 1HB HIS 33 2HB HIS 33 -2.863 -6.010 6.538
218 2HB HIS 33 1HB HIS 33 -4.546 -6.521 6.608
219 HD1 HIS 33 HD1 HIS 33 -1.639 -8.164 6.712
220 HD2 HIS 33 HD2 HIS 33 -4.704 -8.311 3.902
221 HE1 HIS 33 HE1 HIS 33 -1.404 -10.388 5.563
222 HE2 HIS 33 HE2 HIS 33 -3.398 -10.543 4.030
223 H ASP 34 H ASP 34 -6.383 -4.558 4.627
224 HA ASP 34 HA ASP 34 -6.087 -1.863 5.396
225 1HB ASP 34 2HB ASP 34 -8.526 -3.645 5.391
226 2HB ASP 34 1HB ASP 34 -8.575 -1.909 5.641
227 H GLN 35 H GLN 35 -6.972 -0.809 7.274
228 HA GLN 35 HA GLN 35 -6.663 -2.204 9.753
229 1HB GLN 35 2HB GLN 35 -7.546 -0.119 10.775
230 2HB GLN 35 1HB GLN 35 -6.190 0.167 9.697
231 1HG GLN 35 2HG GLN 35 -7.493 1.823 8.935
232 2HG GLN 35 1HG GLN 35 -8.231 0.533 7.986
233 1HE2 GLN 35 1HE2 GLN 35 -8.573 2.625 10.745
234 2HE2 GLN 35 2HE2 GLN 35 -10.269 2.370 10.985
235 H GLN 36 H GLN 36 -9.140 -1.816 7.468
236 HA GLN 36 HA GLN 36 -11.320 -2.505 9.228
237 1HB GLN 36 2HB GLN 36 -11.559 -1.071 7.180
238 2HB GLN 36 1HB GLN 36 -11.237 -2.497 6.206
239 1HG GLN 36 2HG GLN 36 -13.611 -2.040 6.317
240 2HG GLN 36 1HG GLN 36 -13.230 -3.571 7.104
241 1HE2 GLN 36 1HE2 GLN 36 -14.179 -0.258 7.584
242 2HE2 GLN 36 2HE2 GLN 36 -14.742 -0.445 9.211
243 H GLY 37 H GLY 37 -8.839 -4.144 7.621
244 1HA GLY 37 2HA GLY 37 -8.369 -6.418 8.049
245 2HA GLY 37 1HA GLY 37 -10.077 -6.691 8.348
246 H ASN 38 H ASN 38 -8.966 -4.972 5.506
247 HA ASN 38 HA ASN 38 -9.739 -7.310 3.887
248 1HB ASN 38 2HB ASN 38 -9.492 -4.472 2.871
249 2HB ASN 38 1HB ASN 38 -10.247 -5.838 2.066
250 1HD2 ASN 38 1HD2 ASN 38 -10.685 -3.175 4.068
251 2HD2 ASN 38 2HD2 ASN 38 -12.339 -3.457 4.494
252 H ALA 39 H ALA 39 -8.550 -7.124 1.618
253 HA ALA 39 HA ALA 39 -5.767 -6.270 2.002
254 1HB ALA 39 1HB ALA 39 -5.866 -8.703 2.360
255 2HB ALA 39 2HB ALA 39 -4.937 -8.279 0.922
256 3HB ALA 39 3HB ALA 39 -6.581 -8.897 0.759
257 H MET 40 H MET 40 -5.582 -4.647 0.577
258 HA MET 40 HA MET 40 -6.365 -5.194 -2.193
259 1HB MET 40 2HB MET 40 -7.174 -2.843 -2.429
260 2HB MET 40 1HB MET 40 -8.188 -3.868 -1.428
261 1HG MET 40 2HG MET 40 -7.290 -2.847 0.578
262 2HG MET 40 1HG MET 40 -6.188 -1.865 -0.395
263 1HE MET 40 1HE MET 40 -7.217 0.230 1.037
264 2HE MET 40 2HE MET 40 -8.387 -0.829 1.828
265 3HE MET 40 3HE MET 40 -8.930 0.649 1.026
266 H GLN 41 H GLN 41 -5.471 -3.346 -3.653
267 HA GLN 41 HA GLN 41 -2.623 -3.243 -2.933
268 1HB GLN 41 2HB GLN 41 -3.826 -3.368 -5.700
269 2HB GLN 41 1HB GLN 41 -2.118 -3.453 -5.298
270 1HG GLN 41 2HG GLN 41 -2.508 -5.655 -5.575
271 2HG GLN 41 1HG GLN 41 -2.955 -5.532 -3.875
272 1HE2 GLN 41 1HE2 GLN 41 -3.790 -7.445 -5.887
273 2HE2 GLN 41 2HE2 GLN 41 -5.516 -7.350 -5.965
274 H ILE 42 H ILE 42 -1.416 -1.437 -3.313
275 HA ILE 42 HA ILE 42 -2.710 0.808 -4.729
276 HB ILE 42 HB ILE 42 -1.359 2.397 -3.537
277 1HG1 ILE 42 2HG1 ILE 42 -0.188 0.257 -1.790
278 2HG1 ILE 42 1HG1 ILE 42 0.577 0.661 -3.326
279 1HG2 ILE 42 1HG2 ILE 42 -2.531 0.456 -1.559
280 2HG2 ILE 42 2HG2 ILE 42 -3.426 1.699 -2.431
281 3HG2 ILE 42 3HG2 ILE 42 -2.187 2.159 -1.261
282 1HD1 ILE 42 1HD1 ILE 42 0.814 2.968 -2.607
283 2HD1 ILE 42 2HD1 ILE 42 1.594 1.858 -1.477
284 3HD1 ILE 42 3HD1 ILE 42 0.033 2.575 -1.073
285 H ASN 43 H ASN 43 -0.701 2.322 -5.504
286 HA ASN 43 HA ASN 43 0.813 0.613 -7.304
287 1HB ASN 43 2HB ASN 43 -0.346 2.803 -7.952
288 2HB ASN 43 1HB ASN 43 0.956 3.619 -7.104
289 1HD2 ASN 43 1HD2 ASN 43 0.233 3.768 -9.880
290 2HD2 ASN 43 2HD2 ASN 43 1.624 3.260 -10.788
291 H ARG 44 H ARG 44 3.045 0.411 -7.311
292 HA ARG 44 HA ARG 44 4.447 0.758 -4.872
293 1HB ARG 44 2HB ARG 44 4.953 -0.961 -6.646
294 2HB ARG 44 1HB ARG 44 5.639 0.329 -7.621
295 1HG ARG 44 2HG ARG 44 7.323 0.743 -5.913
296 2HG ARG 44 1HG ARG 44 6.621 -0.522 -4.902
297 1HD ARG 44 2HD ARG 44 8.564 -1.383 -6.068
298 2HD ARG 44 1HD ARG 44 7.105 -2.168 -6.672
299 HE ARG 44 HE ARG 44 7.991 0.146 -8.175
300 1HH1 ARG 44 1HH1 ARG 44 8.191 -3.341 -7.846
301 2HH1 ARG 44 2HH1 ARG 44 8.596 -3.598 -9.513
302 1HH2 ARG 44 1HH2 ARG 44 8.509 -0.209 -10.367
303 2HH2 ARG 44 2HH2 ARG 44 8.783 -1.829 -10.938
304 H ASP 45 H ASP 45 3.989 2.744 -7.691
305 HA ASP 45 HA ASP 45 6.041 4.648 -7.103
306 1HB ASP 45 2HB ASP 45 3.568 4.743 -8.829
307 2HB ASP 45 1HB ASP 45 4.623 6.136 -8.633
308 H ASP 46 H ASP 46 2.807 4.114 -6.000
309 HA ASP 46 HA ASP 46 2.434 6.827 -5.069
310 1HB ASP 46 2HB ASP 46 0.716 4.385 -5.145
311 2HB ASP 46 1HB ASP 46 0.303 5.686 -4.033
312 H VAL 47 H VAL 47 3.619 3.861 -3.775
313 HA VAL 47 HA VAL 47 3.217 4.693 -1.032
314 HB VAL 47 HB VAL 47 3.211 2.285 -1.648
315 1HG1 VAL 47 1HG1 VAL 47 6.152 2.713 -2.122
316 2HG1 VAL 47 2HG1 VAL 47 4.944 2.252 -3.320
317 3HG1 VAL 47 3HG1 VAL 47 5.359 1.140 -2.017
318 1HG2 VAL 47 1HG2 VAL 47 5.328 3.114 0.323
319 2HG2 VAL 47 2HG2 VAL 47 4.577 1.519 0.240
320 3HG2 VAL 47 3HG2 VAL 47 3.605 2.934 0.645
321 H SER 48 H SER 48 4.815 5.488 0.358
322 HA SER 48 HA SER 48 7.263 6.389 -0.996
323 1HB SER 48 2HB SER 48 5.579 8.198 -0.955
324 2HB SER 48 1HB SER 48 5.513 8.087 0.801
325 HG SER 48 HG SER 48 7.568 9.040 -0.869
326 H GLN 49 H GLN 49 5.912 6.766 2.300
327 HA GLN 49 HA GLN 49 8.525 5.841 3.285
328 1HB GLN 49 2HB GLN 49 6.684 7.987 4.228
329 2HB GLN 49 1HB GLN 49 7.682 7.154 5.412
330 1HG GLN 49 2HG GLN 49 8.772 8.481 2.943
331 2HG GLN 49 1HG GLN 49 8.654 9.266 4.517
332 1HE2 GLN 49 1HE2 GLN 49 10.859 9.536 4.706
333 2HE2 GLN 49 2HE2 GLN 49 11.940 8.221 5.001
334 H ILE 50 H ILE 50 8.428 3.856 3.975
335 HA ILE 50 HA ILE 50 6.227 3.097 5.781
336 HB ILE 50 HB ILE 50 7.979 1.249 4.136
337 1HG1 ILE 50 2HG1 ILE 50 5.063 1.978 3.788
338 2HG1 ILE 50 1HG1 ILE 50 6.382 2.510 2.750
339 1HG2 ILE 50 1HG2 ILE 50 6.410 -0.512 4.862
340 2HG2 ILE 50 2HG2 ILE 50 5.616 0.659 5.916
341 3HG2 ILE 50 3HG2 ILE 50 7.295 0.205 6.210
342 1HD1 ILE 50 1HD1 ILE 50 6.793 0.224 2.064
343 2HD1 ILE 50 2HD1 ILE 50 5.114 0.670 1.769
344 3HD1 ILE 50 3HD1 ILE 50 5.524 -0.347 3.147
345 H ILE 51 H ILE 51 9.610 3.525 5.339
346 HA ILE 51 HA ILE 51 10.226 2.060 7.809
347 HB ILE 51 HB ILE 51 12.103 2.874 5.583
348 1HG1 ILE 51 2HG1 ILE 51 11.035 0.132 6.293
349 2HG1 ILE 51 1HG1 ILE 51 10.476 1.106 4.938
350 1HG2 ILE 51 1HG2 ILE 51 13.720 1.410 6.708
351 2HG2 ILE 51 2HG2 ILE 51 12.565 1.154 8.017
352 3HG2 ILE 51 3HG2 ILE 51 13.230 2.763 7.729
353 1HD1 ILE 51 1HD1 ILE 51 12.019 -0.594 4.188
354 2HD1 ILE 51 2HD1 ILE 51 13.250 -0.009 5.307
355 3HD1 ILE 51 3HD1 ILE 51 12.726 1.005 3.962
356 H GLU 52 H GLU 52 11.180 5.011 6.031
357 HA GLU 52 HA GLU 52 12.238 6.904 6.658
358 1HB GLU 52 2HB GLU 52 10.264 7.329 8.016
359 2HB GLU 52 1HB GLU 52 10.902 6.331 9.313
360 1HG GLU 52 2HG GLU 52 11.090 8.751 9.748
361 2HG GLU 52 1HG GLU 52 12.642 7.917 9.765
362 H ARG 53 H ARG 53 12.587 5.701 9.921
363 HA ARG 53 HA ARG 53 14.883 4.187 9.810
364 1HB ARG 53 2HB ARG 53 15.458 7.095 9.668
365 2HB ARG 53 1HB ARG 53 16.371 6.200 10.876
366 1HG ARG 53 2HG ARG 53 17.180 4.679 9.146
367 2HG ARG 53 1HG ARG 53 16.255 5.561 7.933
368 1HD ARG 53 2HD ARG 53 17.567 7.610 8.599
369 2HD ARG 53 1HD ARG 53 18.604 6.535 9.539
370 HE ARG 53 HE ARG 53 18.203 6.127 6.644
371 1HH1 ARG 53 1HH1 ARG 53 20.327 6.630 9.383
372 2HH1 ARG 53 2HH1 ARG 53 21.782 6.354 8.467
373 1HH2 ARG 53 1HH2 ARG 53 20.096 5.771 5.441
374 2HH2 ARG 53 2HH2 ARG 53 21.647 5.842 6.219
Start of MODEL 9
1 H ASP 4 H ASP 4 -0.290 -1.495 14.236
2 HA ASP 4 HA ASP 4 0.229 -1.434 11.400
3 1HB ASP 4 2HB ASP 4 -1.888 -0.614 11.907
4 2HB ASP 4 1HB ASP 4 -1.322 0.260 13.326
5 H TYR 5 H TYR 5 1.476 0.053 10.298
6 HA TYR 5 HA TYR 5 3.457 1.484 11.952
7 1HB TYR 5 2HB TYR 5 3.892 0.201 9.244
8 2HB TYR 5 1HB TYR 5 5.105 1.051 10.190
9 HD1 TYR 5 HD1 TYR 5 5.532 0.075 12.596
10 HD2 TYR 5 HD2 TYR 5 3.758 -2.106 9.400
11 HE1 TYR 5 HE1 TYR 5 6.158 -2.035 13.694
12 HE2 TYR 5 HE2 TYR 5 4.376 -4.222 10.494
13 HH TYR 5 HH TYR 5 5.409 -4.396 13.706
14 H VAL 6 H VAL 6 0.845 2.257 10.544
15 HA VAL 6 HA VAL 6 -0.019 3.719 9.035
16 HB VAL 6 HB VAL 6 0.800 6.095 9.346
17 1HG1 VAL 6 1HG1 VAL 6 -1.095 5.230 10.558
18 2HG1 VAL 6 2HG1 VAL 6 -0.125 6.243 11.630
19 3HG1 VAL 6 3HG1 VAL 6 -0.032 4.486 11.755
20 1HG2 VAL 6 1HG2 VAL 6 2.239 6.537 11.280
21 2HG2 VAL 6 2HG2 VAL 6 3.096 5.647 10.018
22 3HG2 VAL 6 3HG2 VAL 6 2.526 4.804 11.457
23 H MET 7 H MET 7 0.524 2.809 7.104
24 HA MET 7 HA MET 7 3.063 3.199 5.890
25 1HB MET 7 2HB MET 7 1.509 1.259 5.458
26 2HB MET 7 1HB MET 7 0.492 2.359 4.540
27 1HG MET 7 2HG MET 7 3.380 2.043 3.848
28 2HG MET 7 1HG MET 7 2.200 0.850 3.314
29 1HE MET 7 1HE MET 7 -0.205 3.015 1.122
30 2HE MET 7 2HE MET 7 -0.362 2.543 2.814
31 3HE MET 7 3HE MET 7 0.213 1.377 1.622
32 H ALA 8 H ALA 8 3.718 5.112 5.295
33 HA ALA 8 HA ALA 8 1.863 7.198 4.543
34 1HB ALA 8 1HB ALA 8 4.871 7.212 4.761
35 2HB ALA 8 2HB ALA 8 3.734 7.730 6.006
36 3HB ALA 8 3HB ALA 8 3.854 8.628 4.493
37 H THR 9 H THR 9 1.352 7.721 2.531
38 HA THR 9 HA THR 9 2.759 6.383 0.353
39 HB THR 9 HB THR 9 0.866 7.286 -1.033
40 HG1 THR 9 HG1 THR 9 -0.367 7.813 1.477
41 1HG2 THR 9 1HG2 THR 9 0.159 5.524 1.317
42 2HG2 THR 9 2HG2 THR 9 0.831 4.991 -0.224
43 3HG2 THR 9 3HG2 THR 9 -0.793 5.675 -0.161
44 H LYS 10 H LYS 10 3.040 7.638 -1.665
45 HA LYS 10 HA LYS 10 4.783 9.795 -1.346
46 1HB LYS 10 2HB LYS 10 4.806 8.350 -3.292
47 2HB LYS 10 1HB LYS 10 3.183 8.860 -3.731
48 1HG LYS 10 2HG LYS 10 3.953 11.049 -4.302
49 2HG LYS 10 1HG LYS 10 5.563 10.699 -3.664
50 1HD LYS 10 2HD LYS 10 5.445 10.556 -6.137
51 2HD LYS 10 1HD LYS 10 5.931 9.036 -5.377
52 1HE LYS 10 2HE LYS 10 3.615 8.227 -5.561
53 2HE LYS 10 1HE LYS 10 3.158 9.735 -6.345
54 1HZ LYS 10 1HZ LYS 10 3.541 7.914 -7.913
55 2HZ LYS 10 2HZ LYS 10 5.159 7.820 -7.419
56 3HZ LYS 10 3HZ LYS 10 4.584 9.220 -8.181
57 H ASP 11 H ASP 11 1.337 9.672 -1.797
58 HA ASP 11 HA ASP 11 0.937 12.381 -2.534
59 1HB ASP 11 2HB ASP 11 -0.714 10.619 -2.984
60 2HB ASP 11 1HB ASP 11 -0.969 10.415 -1.255
61 H GLY 12 H GLY 12 1.081 10.702 0.551
62 1HA GLY 12 2HA GLY 12 1.848 12.086 2.452
63 2HA GLY 12 1HA GLY 12 0.711 13.307 1.903
64 H ARG 13 H ARG 13 -0.997 10.729 1.293
65 HA ARG 13 HA ARG 13 -2.533 10.856 3.701
66 1HB ARG 13 2HB ARG 13 -3.593 8.718 2.445
67 2HB ARG 13 1HB ARG 13 -4.001 10.383 2.039
68 1HG ARG 13 2HG ARG 13 -2.297 10.359 0.303
69 2HG ARG 13 1HG ARG 13 -1.933 8.680 0.680
70 1HD ARG 13 2HD ARG 13 -4.083 7.967 -0.055
71 2HD ARG 13 1HD ARG 13 -4.654 9.632 -0.189
72 HE ARG 13 HE ARG 13 -3.483 9.871 -2.175
73 1HH1 ARG 13 1HH1 ARG 13 -2.955 6.689 -0.813
74 2HH1 ARG 13 2HH1 ARG 13 -2.052 6.120 -2.186
75 1HH2 ARG 13 1HH2 ARG 13 -2.334 9.098 -4.002
76 2HH2 ARG 13 2HH2 ARG 13 -1.696 7.472 -3.980
77 H MET 14 H MET 14 -2.312 9.766 5.443
78 HA MET 14 HA MET 14 -0.381 7.589 5.629
79 1HB MET 14 2HB MET 14 -2.017 8.942 7.789
80 2HB MET 14 1HB MET 14 -0.725 7.784 8.059
81 1HG MET 14 2HG MET 14 -0.389 10.471 6.758
82 2HG MET 14 1HG MET 14 -0.043 10.112 8.449
83 1HE MET 14 1HE MET 14 2.039 11.422 6.346
84 2HE MET 14 2HE MET 14 3.509 10.576 6.828
85 3HE MET 14 3HE MET 14 2.380 11.153 8.055
86 H ILE 15 H ILE 15 -1.006 5.518 5.465
87 HA ILE 15 HA ILE 15 -3.876 4.970 5.776
88 HB ILE 15 HB ILE 15 -1.804 3.362 4.272
89 1HG1 ILE 15 2HG1 ILE 15 -4.037 5.151 3.279
90 2HG1 ILE 15 1HG1 ILE 15 -2.314 5.506 3.183
91 1HG2 ILE 15 1HG2 ILE 15 -3.716 2.092 3.417
92 2HG2 ILE 15 2HG2 ILE 15 -4.795 3.019 4.456
93 3HG2 ILE 15 3HG2 ILE 15 -3.581 1.959 5.170
94 1HD1 ILE 15 1HD1 ILE 15 -3.710 3.221 1.800
95 2HD1 ILE 15 2HD1 ILE 15 -2.000 3.636 1.669
96 3HD1 ILE 15 3HD1 ILE 15 -3.225 4.744 1.050
97 H LEU 16 H LEU 16 -4.535 3.872 7.457
98 HA LEU 16 HA LEU 16 -2.804 2.588 9.313
99 1HB LEU 16 2HB LEU 16 -5.800 2.495 8.942
100 2HB LEU 16 1HB LEU 16 -4.969 1.670 10.244
101 HG LEU 16 HG LEU 16 -5.900 3.704 11.102
102 1HD1 LEU 16 1HD1 LEU 16 -2.932 4.013 10.726
103 2HD1 LEU 16 2HD1 LEU 16 -3.731 3.062 11.979
104 3HD1 LEU 16 3HD1 LEU 16 -3.908 4.817 11.955
105 1HD2 LEU 16 1HD2 LEU 16 -4.360 5.175 8.970
106 2HD2 LEU 16 2HD2 LEU 16 -5.326 5.905 10.252
107 3HD2 LEU 16 3HD2 LEU 16 -6.107 4.940 8.999
108 H THR 17 H THR 17 -1.892 0.655 9.082
109 HA THR 17 HA THR 17 -3.097 -1.203 7.131
110 HB THR 17 HB THR 17 -0.680 -1.708 6.439
111 HG1 THR 17 HG1 THR 17 -0.321 0.359 8.196
112 1HG2 THR 17 1HG2 THR 17 -2.268 -0.570 4.973
113 2HG2 THR 17 2HG2 THR 17 -0.655 0.125 4.806
114 3HG2 THR 17 3HG2 THR 17 -1.888 0.969 5.743
115 H ASP 18 H ASP 18 -2.787 -3.359 7.456
116 HA ASP 18 HA ASP 18 -1.966 -4.432 9.928
117 1HB ASP 18 2HB ASP 18 -3.406 -5.682 8.451
118 2HB ASP 18 1HB ASP 18 -2.218 -5.625 7.157
119 H GLY 19 H GLY 19 0.032 -5.825 10.257
120 1HA GLY 19 2HA GLY 19 2.246 -4.088 9.574
121 2HA GLY 19 1HA GLY 19 2.308 -5.467 10.659
122 H LYS 20 H LYS 20 2.328 -4.516 7.234
123 HA LYS 20 HA LYS 20 3.808 -6.452 6.099
124 1HB LYS 20 2HB LYS 20 2.582 -8.190 7.279
125 2HB LYS 20 1HB LYS 20 1.065 -7.611 6.601
126 1HG LYS 20 2HG LYS 20 1.380 -8.696 4.674
127 2HG LYS 20 1HG LYS 20 3.069 -8.206 4.572
128 1HD LYS 20 2HD LYS 20 3.676 -9.978 6.150
129 2HD LYS 20 1HD LYS 20 1.982 -10.469 6.248
130 1HE LYS 20 2HE LYS 20 1.967 -11.073 3.922
131 2HE LYS 20 1HE LYS 20 3.581 -10.407 3.694
132 1HZ LYS 20 1HZ LYS 20 3.038 -12.660 5.547
133 2HZ LYS 20 2HZ LYS 20 4.536 -12.136 4.940
134 3HZ LYS 20 3HZ LYS 20 3.423 -12.891 3.909
135 HA PRO 21 HA PRO 21 1.630 -4.371 2.733
136 1HB PRO 21 2HB PRO 21 3.672 -2.864 1.840
137 2HB PRO 21 1HB PRO 21 2.632 -2.327 3.162
138 1HG PRO 21 2HG PRO 21 5.418 -3.299 3.237
139 2HG PRO 21 1HG PRO 21 4.566 -2.237 4.370
140 1HD PRO 21 2HD PRO 21 5.068 -5.046 4.629
141 2HD PRO 21 1HD PRO 21 4.168 -3.995 5.738
142 H GLU 22 H GLU 22 1.542 -6.271 1.543
143 HA GLU 22 HA GLU 22 3.969 -7.644 0.810
144 1HB GLU 22 2HB GLU 22 1.717 -8.713 1.460
145 2HB GLU 22 1HB GLU 22 1.198 -8.308 -0.168
146 1HG GLU 22 2HG GLU 22 2.911 -9.689 -1.116
147 2HG GLU 22 1HG GLU 22 3.598 -10.001 0.478
148 H ILE 23 H ILE 23 5.099 -6.461 -0.600
149 HA ILE 23 HA ILE 23 3.835 -5.050 -2.759
150 HB ILE 23 HB ILE 23 6.785 -5.467 -2.270
151 1HG1 ILE 23 2HG1 ILE 23 4.961 -3.227 -1.367
152 2HG1 ILE 23 1HG1 ILE 23 5.718 -4.424 -0.323
153 1HG2 ILE 23 1HG2 ILE 23 7.037 -3.447 -3.639
154 2HG2 ILE 23 2HG2 ILE 23 5.294 -3.412 -3.900
155 3HG2 ILE 23 3HG2 ILE 23 6.253 -4.749 -4.534
156 1HD1 ILE 23 1HD1 ILE 23 7.152 -2.342 -1.959
157 2HD1 ILE 23 2HD1 ILE 23 7.919 -3.548 -0.926
158 3HD1 ILE 23 3HD1 ILE 23 6.889 -2.307 -0.215
159 H ASP 24 H ASP 24 3.294 -5.944 -4.598
160 HA ASP 24 HA ASP 24 4.834 -8.239 -5.594
161 1HB ASP 24 2HB ASP 24 2.097 -7.227 -6.409
162 2HB ASP 24 1HB ASP 24 2.924 -8.592 -7.152
163 H ASP 25 H ASP 25 6.561 -7.287 -6.553
164 HA ASP 25 HA ASP 25 6.311 -4.762 -7.901
165 1HB ASP 25 2HB ASP 25 8.336 -5.481 -6.596
166 2HB ASP 25 1HB ASP 25 8.697 -6.619 -7.891
167 H ASP 26 H ASP 26 6.042 -8.033 -8.805
168 HA ASP 26 HA ASP 26 6.768 -8.045 -11.483
169 1HB ASP 26 2HB ASP 26 4.421 -9.448 -10.177
170 2HB ASP 26 1HB ASP 26 5.078 -9.842 -11.762
171 H THR 27 H THR 27 3.663 -7.148 -10.028
172 HA THR 27 HA THR 27 2.804 -5.952 -12.547
173 HB THR 27 HB THR 27 1.070 -7.189 -11.475
174 HG1 THR 27 HG1 THR 27 -0.109 -5.566 -12.129
175 1HG2 THR 27 1HG2 THR 27 1.968 -7.271 -9.212
176 2HG2 THR 27 2HG2 THR 27 0.290 -6.725 -9.193
177 3HG2 THR 27 3HG2 THR 27 1.600 -5.560 -8.991
178 H GLY 28 H GLY 28 3.998 -5.096 -9.394
179 1HA GLY 28 2HA GLY 28 5.033 -3.025 -8.913
180 2HA GLY 28 1HA GLY 28 4.127 -2.298 -10.233
181 H LEU 29 H LEU 29 2.728 -4.352 -7.764
182 HA LEU 29 HA LEU 29 1.251 -2.010 -6.752
183 1HB LEU 29 2HB LEU 29 0.237 -4.850 -6.858
184 2HB LEU 29 1HB LEU 29 -0.663 -3.425 -6.384
185 HG LEU 29 HG LEU 29 0.308 -4.087 -9.163
186 1HD1 LEU 29 1HD1 LEU 29 -2.469 -3.907 -8.006
187 2HD1 LEU 29 2HD1 LEU 29 -1.618 -5.393 -8.425
188 3HD1 LEU 29 3HD1 LEU 29 -2.065 -4.249 -9.689
189 1HD2 LEU 29 1HD2 LEU 29 0.418 -1.675 -8.730
190 2HD2 LEU 29 2HD2 LEU 29 -1.271 -1.696 -8.222
191 3HD2 LEU 29 3HD2 LEU 29 -0.844 -2.085 -9.890
192 H VAL 30 H VAL 30 0.591 -2.119 -4.531
193 HA VAL 30 HA VAL 30 2.195 -3.981 -2.894
194 HB VAL 30 HB VAL 30 1.339 -1.164 -2.182
195 1HG1 VAL 30 1HG1 VAL 30 1.283 -2.566 -0.214
196 2HG1 VAL 30 2HG1 VAL 30 2.696 -1.514 -0.139
197 3HG1 VAL 30 3HG1 VAL 30 2.881 -3.209 -0.585
198 1HG2 VAL 30 1HG2 VAL 30 3.757 -0.694 -2.155
199 2HG2 VAL 30 2HG2 VAL 30 3.186 -1.171 -3.753
200 3HG2 VAL 30 3HG2 VAL 30 4.066 -2.324 -2.750
201 H SER 31 H SER 31 0.899 -5.495 -2.150
202 HA SER 31 HA SER 31 -1.928 -4.980 -1.724
203 1HB SER 31 2HB SER 31 -0.360 -7.535 -1.330
204 2HB SER 31 1HB SER 31 -2.108 -7.381 -1.467
205 HG SER 31 HG SER 31 -0.206 -7.528 -3.428
206 H TYR 32 H TYR 32 -2.363 -3.966 0.172
207 HA TYR 32 HA TYR 32 -0.979 -4.967 2.578
208 1HB TYR 32 2HB TYR 32 -1.269 -2.816 3.608
209 2HB TYR 32 1HB TYR 32 -0.567 -2.553 2.018
210 HD1 TYR 32 HD2 TYR 32 -1.915 -1.533 0.221
211 HD2 TYR 32 HD1 TYR 32 -3.480 -2.022 4.145
212 HE1 TYR 32 HE2 TYR 32 -3.718 0.057 -0.293
213 HE2 TYR 32 HE1 TYR 32 -5.279 -0.432 3.634
214 HH TYR 32 HH TYR 32 -5.856 1.286 2.145
215 H HIS 33 H HIS 33 -2.401 -4.516 4.612
216 HA HIS 33 HA HIS 33 -5.183 -5.256 3.986
217 1HB HIS 33 2HB HIS 33 -3.652 -5.919 6.514
218 2HB HIS 33 1HB HIS 33 -5.291 -6.421 6.122
219 HD1 HIS 33 HD1 HIS 33 -2.147 -7.861 6.388
220 HD2 HIS 33 HD2 HIS 33 -5.044 -7.941 3.394
221 HE1 HIS 33 HE1 HIS 33 -1.660 -9.917 5.025
222 HE2 HIS 33 HE2 HIS 33 -3.331 -9.863 3.130
223 H ASP 34 H ASP 34 -6.675 -3.828 4.606
224 HA ASP 34 HA ASP 34 -6.064 -1.377 5.870
225 1HB ASP 34 2HB ASP 34 -8.401 -2.662 4.772
226 2HB ASP 34 1HB ASP 34 -8.800 -1.889 6.301
227 H GLN 35 H GLN 35 -7.052 -0.589 7.903
228 HA GLN 35 HA GLN 35 -6.590 -2.218 10.146
229 1HB GLN 35 2HB GLN 35 -7.804 -0.490 11.425
230 2HB GLN 35 1HB GLN 35 -6.629 0.218 10.325
231 1HG GLN 35 2HG GLN 35 -8.377 0.788 8.764
232 2HG GLN 35 1HG GLN 35 -9.579 -0.005 9.782
233 1HE2 GLN 35 1HE2 GLN 35 -7.558 2.762 9.356
234 2HE2 GLN 35 2HE2 GLN 35 -8.281 3.748 10.585
235 H GLN 36 H GLN 36 -9.267 -1.882 8.019
236 HA GLN 36 HA GLN 36 -11.256 -3.111 9.660
237 1HB GLN 36 2HB GLN 36 -11.147 -2.969 6.641
238 2HB GLN 36 1HB GLN 36 -12.572 -3.241 7.631
239 1HG GLN 36 2HG GLN 36 -12.449 -0.986 8.491
240 2HG GLN 36 1HG GLN 36 -10.947 -0.709 7.609
241 1HE2 GLN 36 1HE2 GLN 36 -11.769 0.982 6.400
242 2HE2 GLN 36 2HE2 GLN 36 -12.940 0.745 5.143
243 H GLY 37 H GLY 37 -8.704 -4.207 7.582
244 1HA GLY 37 2HA GLY 37 -7.855 -6.444 7.843
245 2HA GLY 37 1HA GLY 37 -9.502 -6.989 8.110
246 H ASN 38 H ASN 38 -9.426 -4.755 5.595
247 HA ASN 38 HA ASN 38 -10.030 -6.808 3.680
248 1HB ASN 38 2HB ASN 38 -9.624 -3.859 3.141
249 2HB ASN 38 1HB ASN 38 -10.420 -5.023 2.091
250 1HD2 ASN 38 1HD2 ASN 38 -10.822 -2.709 4.454
251 2HD2 ASN 38 2HD2 ASN 38 -12.478 -3.027 4.853
252 H ALA 39 H ALA 39 -8.889 -7.324 1.815
253 HA ALA 39 HA ALA 39 -6.031 -6.638 1.857
254 1HB ALA 39 1HB ALA 39 -6.584 -9.035 1.818
255 2HB ALA 39 2HB ALA 39 -5.722 -8.542 0.361
256 3HB ALA 39 3HB ALA 39 -7.467 -8.800 0.309
257 H MET 40 H MET 40 -5.410 -5.038 0.552
258 HA MET 40 HA MET 40 -6.761 -4.631 -1.995
259 1HB MET 40 2HB MET 40 -7.041 -2.162 -1.372
260 2HB MET 40 1HB MET 40 -8.175 -3.309 -0.667
261 1HG MET 40 2HG MET 40 -6.264 -3.303 1.226
262 2HG MET 40 1HG MET 40 -6.111 -1.657 0.613
263 1HE MET 40 1HE MET 40 -9.008 -0.855 -0.239
264 2HE MET 40 2HE MET 40 -7.981 0.170 0.762
265 3HE MET 40 3HE MET 40 -9.644 -0.165 1.252
266 H GLN 41 H GLN 41 -5.605 -3.404 -3.477
267 HA GLN 41 HA GLN 41 -2.730 -3.311 -2.852
268 1HB GLN 41 2HB GLN 41 -4.226 -3.656 -5.453
269 2HB GLN 41 1HB GLN 41 -2.501 -3.344 -5.386
270 1HG GLN 41 2HG GLN 41 -2.795 -5.666 -5.690
271 2HG GLN 41 1HG GLN 41 -2.256 -5.423 -4.033
272 1HE2 GLN 41 1HE2 GLN 41 -4.946 -6.290 -6.076
273 2HE2 GLN 41 2HE2 GLN 41 -5.900 -7.021 -4.831
274 H ILE 42 H ILE 42 -1.523 -1.499 -3.244
275 HA ILE 42 HA ILE 42 -2.776 0.695 -4.772
276 HB ILE 42 HB ILE 42 -1.418 2.325 -3.622
277 1HG1 ILE 42 2HG1 ILE 42 -0.443 0.282 -1.652
278 2HG1 ILE 42 1HG1 ILE 42 0.441 0.548 -3.152
279 1HG2 ILE 42 1HG2 ILE 42 -2.894 0.523 -1.731
280 2HG2 ILE 42 2HG2 ILE 42 -3.548 1.889 -2.629
281 3HG2 ILE 42 3HG2 ILE 42 -2.373 2.160 -1.341
282 1HD1 ILE 42 1HD1 ILE 42 0.751 2.868 -2.602
283 2HD1 ILE 42 2HD1 ILE 42 1.326 1.851 -1.276
284 3HD1 ILE 42 3HD1 ILE 42 -0.221 2.682 -1.143
285 H ASN 43 H ASN 43 -0.730 2.167 -5.571
286 HA ASN 43 HA ASN 43 0.783 0.323 -7.219
287 1HB ASN 43 2HB ASN 43 -0.224 2.558 -7.986
288 2HB ASN 43 1HB ASN 43 1.135 3.310 -7.160
289 1HD2 ASN 43 1HD2 ASN 43 0.160 1.329 -9.848
290 2HD2 ASN 43 2HD2 ASN 43 1.656 1.409 -10.709
291 H ARG 44 H ARG 44 2.992 0.006 -7.176
292 HA ARG 44 HA ARG 44 4.237 0.173 -4.642
293 1HB ARG 44 2HB ARG 44 4.769 -1.605 -6.213
294 2HB ARG 44 1HB ARG 44 5.408 -0.441 -7.363
295 1HG ARG 44 2HG ARG 44 6.685 -0.341 -4.733
296 2HG ARG 44 1HG ARG 44 6.887 -1.875 -5.582
297 1HD ARG 44 2HD ARG 44 7.492 0.841 -6.753
298 2HD ARG 44 1HD ARG 44 8.694 -0.245 -6.053
299 HE ARG 44 HE ARG 44 8.167 -1.831 -7.843
300 1HH1 ARG 44 1HH1 ARG 44 7.238 1.526 -8.275
301 2HH1 ARG 44 2HH1 ARG 44 7.068 1.390 -10.001
302 1HH2 ARG 44 1HH2 ARG 44 7.986 -1.995 -10.114
303 2HH2 ARG 44 2HH2 ARG 44 7.521 -0.604 -11.046
304 H ASP 45 H ASP 45 4.241 2.311 -7.396
305 HA ASP 45 HA ASP 45 6.521 3.806 -6.393
306 1HB ASP 45 2HB ASP 45 6.099 3.477 -8.849
307 2HB ASP 45 1HB ASP 45 4.694 4.527 -8.692
308 H ASP 46 H ASP 46 3.351 3.609 -5.584
309 HA ASP 46 HA ASP 46 2.941 6.466 -5.145
310 1HB ASP 46 2HB ASP 46 1.140 4.895 -6.049
311 2HB ASP 46 1HB ASP 46 1.047 4.225 -4.425
312 H VAL 47 H VAL 47 4.421 3.979 -3.608
313 HA VAL 47 HA VAL 47 3.590 4.581 -0.891
314 HB VAL 47 HB VAL 47 5.969 2.888 -1.607
315 1HG1 VAL 47 1HG1 VAL 47 5.522 3.391 0.751
316 2HG1 VAL 47 2HG1 VAL 47 5.372 1.671 0.395
317 3HG1 VAL 47 3HG1 VAL 47 3.925 2.658 0.592
318 1HG2 VAL 47 1HG2 VAL 47 4.181 2.134 -3.079
319 2HG2 VAL 47 2HG2 VAL 47 3.100 1.975 -1.696
320 3HG2 VAL 47 3HG2 VAL 47 4.520 0.941 -1.828
321 H SER 48 H SER 48 4.988 5.473 0.709
322 HA SER 48 HA SER 48 7.349 6.861 -0.363
323 1HB SER 48 2HB SER 48 5.638 8.527 -0.137
324 2HB SER 48 1HB SER 48 5.225 7.973 1.482
325 HG SER 48 HG SER 48 7.837 8.878 0.891
326 H GLN 49 H GLN 49 5.780 6.112 2.781
327 HA GLN 49 HA GLN 49 8.404 5.212 3.746
328 1HB GLN 49 2HB GLN 49 7.232 7.647 4.472
329 2HB GLN 49 1HB GLN 49 6.909 6.573 5.826
330 1HG GLN 49 2HG GLN 49 9.617 7.131 4.636
331 2HG GLN 49 1HG GLN 49 8.979 7.829 6.124
332 1HE2 GLN 49 1HE2 GLN 49 8.885 6.589 7.971
333 2HE2 GLN 49 2HE2 GLN 49 9.664 5.051 8.093
334 H ILE 50 H ILE 50 8.359 3.636 5.330
335 HA ILE 50 HA ILE 50 5.723 2.602 6.131
336 HB ILE 50 HB ILE 50 7.995 0.869 5.120
337 1HG1 ILE 50 2HG1 ILE 50 5.269 1.389 3.904
338 2HG1 ILE 50 1HG1 ILE 50 6.784 2.065 3.313
339 1HG2 ILE 50 1HG2 ILE 50 6.395 -0.983 5.382
340 2HG2 ILE 50 2HG2 ILE 50 5.239 0.137 6.104
341 3HG2 ILE 50 3HG2 ILE 50 6.767 -0.200 6.918
342 1HD1 ILE 50 1HD1 ILE 50 7.585 -0.189 2.807
343 2HD1 ILE 50 2HD1 ILE 50 6.079 0.178 1.964
344 3HD1 ILE 50 3HD1 ILE 50 6.060 -0.858 3.393
345 H ILE 51 H ILE 51 9.228 2.051 6.581
346 HA ILE 51 HA ILE 51 8.700 1.813 9.462
347 HB ILE 51 HB ILE 51 10.886 0.577 9.577
348 1HG1 ILE 51 2HG1 ILE 51 10.537 0.419 6.574
349 2HG1 ILE 51 1HG1 ILE 51 11.798 1.325 7.402
350 1HG2 ILE 51 1HG2 ILE 51 9.914 -1.541 8.850
351 2HG2 ILE 51 2HG2 ILE 51 8.695 -0.667 7.924
352 3HG2 ILE 51 3HG2 ILE 51 8.720 -0.542 9.682
353 1HD1 ILE 51 1HD1 ILE 51 12.603 -0.810 6.521
354 2HD1 ILE 51 2HD1 ILE 51 11.430 -1.658 7.529
355 3HD1 ILE 51 3HD1 ILE 51 12.728 -0.732 8.279
356 H GLU 52 H GLU 52 9.416 3.389 10.689
357 HA GLU 52 HA GLU 52 10.743 5.648 9.759
358 1HB GLU 52 2HB GLU 52 10.419 4.556 12.550
359 2HB GLU 52 1HB GLU 52 11.144 6.123 12.216
360 1HG GLU 52 2HG GLU 52 8.375 5.333 11.352
361 2HG GLU 52 1HG GLU 52 8.739 6.202 12.842
362 H ARG 53 H ARG 53 12.164 3.422 12.161
363 HA ARG 53 HA ARG 53 14.730 3.708 10.758
364 1HB ARG 53 2HB ARG 53 14.333 3.790 13.758
365 2HB ARG 53 1HB ARG 53 15.888 3.786 12.937
366 1HG ARG 53 2HG ARG 53 13.785 5.934 12.744
367 2HG ARG 53 1HG ARG 53 15.291 6.020 13.658
368 1HD ARG 53 2HD ARG 53 16.590 5.925 11.639
369 2HD ARG 53 1HD ARG 53 15.148 5.620 10.672
370 HE ARG 53 HE ARG 53 15.378 8.133 12.177
371 1HH1 ARG 53 1HH1 ARG 53 15.241 6.457 9.095
372 2HH1 ARG 53 2HH1 ARG 53 14.962 7.909 8.180
373 1HH2 ARG 53 1HH2 ARG 53 14.980 10.028 10.966
374 2HH2 ARG 53 2HH2 ARG 53 14.803 9.920 9.240
Start of MODEL 10
1 H ASP 4 H ASP 4 5.036 -3.713 11.166
2 HA ASP 4 HA ASP 4 5.120 -1.039 10.051
3 1HB ASP 4 2HB ASP 4 5.454 -2.278 8.022
4 2HB ASP 4 1HB ASP 4 4.187 -3.424 8.445
5 H TYR 5 H TYR 5 3.131 -0.003 10.078
6 HA TYR 5 HA TYR 5 0.692 -1.258 10.703
7 1HB TYR 5 2HB TYR 5 0.335 -0.399 12.981
8 2HB TYR 5 1HB TYR 5 1.661 -1.552 12.920
9 HD1 TYR 5 HD1 TYR 5 4.031 -0.685 13.036
10 HD2 TYR 5 HD2 TYR 5 0.657 1.806 13.769
11 HE1 TYR 5 HE1 TYR 5 5.480 0.935 14.187
12 HE2 TYR 5 HE2 TYR 5 2.098 3.431 14.915
13 HH TYR 5 HH TYR 5 5.496 3.306 14.769
14 H VAL 6 H VAL 6 2.581 1.318 9.811
15 HA VAL 6 HA VAL 6 0.229 2.903 9.186
16 HB VAL 6 HB VAL 6 2.610 4.060 10.663
17 1HG1 VAL 6 1HG1 VAL 6 1.524 6.243 10.373
18 2HG1 VAL 6 2HG1 VAL 6 0.308 5.494 9.340
19 3HG1 VAL 6 3HG1 VAL 6 1.996 5.533 8.831
20 1HG2 VAL 6 1HG2 VAL 6 0.940 3.098 12.146
21 2HG2 VAL 6 2HG2 VAL 6 -0.331 4.014 11.341
22 3HG2 VAL 6 3HG2 VAL 6 0.914 4.858 12.259
23 H MET 7 H MET 7 0.340 3.027 7.059
24 HA MET 7 HA MET 7 2.959 3.205 5.757
25 1HB MET 7 2HB MET 7 1.502 1.469 4.893
26 2HB MET 7 1HB MET 7 0.208 2.630 4.639
27 1HG MET 7 2HG MET 7 1.636 3.790 2.983
28 2HG MET 7 1HG MET 7 2.839 2.519 3.185
29 1HE MET 7 1HE MET 7 2.378 -0.039 2.564
30 2HE MET 7 2HE MET 7 0.859 -0.621 1.887
31 3HE MET 7 3HE MET 7 0.917 -0.031 3.549
32 H ALA 8 H ALA 8 3.693 5.179 5.363
33 HA ALA 8 HA ALA 8 1.795 7.341 4.800
34 1HB ALA 8 1HB ALA 8 3.712 8.842 5.106
35 2HB ALA 8 2HB ALA 8 4.764 7.448 5.347
36 3HB ALA 8 3HB ALA 8 3.484 7.795 6.507
37 H THR 9 H THR 9 1.272 7.528 2.714
38 HA THR 9 HA THR 9 3.056 6.419 0.697
39 HB THR 9 HB THR 9 1.163 7.011 -0.863
40 HG1 THR 9 HG1 THR 9 -0.359 7.416 1.488
41 1HG2 THR 9 1HG2 THR 9 0.505 5.280 1.529
42 2HG2 THR 9 2HG2 THR 9 1.379 4.767 0.087
43 3HG2 THR 9 3HG2 THR 9 -0.318 5.231 -0.030
44 H LYS 10 H LYS 10 2.895 7.722 -1.480
45 HA LYS 10 HA LYS 10 4.466 10.048 -1.278
46 1HB LYS 10 2HB LYS 10 4.438 8.547 -3.217
47 2HB LYS 10 1HB LYS 10 2.768 8.975 -3.540
48 1HG LYS 10 2HG LYS 10 3.390 11.202 -4.144
49 2HG LYS 10 1HG LYS 10 5.059 10.922 -3.633
50 1HD LYS 10 2HD LYS 10 4.788 10.761 -6.084
51 2HD LYS 10 1HD LYS 10 5.342 9.246 -5.365
52 1HE LYS 10 2HE LYS 10 2.987 8.453 -5.362
53 2HE LYS 10 1HE LYS 10 2.528 9.924 -6.215
54 1HZ LYS 10 1HZ LYS 10 4.405 7.850 -7.211
55 2HZ LYS 10 2HZ LYS 10 3.991 9.272 -8.031
56 3HZ LYS 10 3HZ LYS 10 2.812 8.091 -7.736
57 H ASP 11 H ASP 11 1.024 9.521 -1.808
58 HA ASP 11 HA ASP 11 0.189 12.139 -2.289
59 1HB ASP 11 2HB ASP 11 -1.354 10.380 -2.696
60 2HB ASP 11 1HB ASP 11 -1.204 9.763 -1.057
61 H GLY 12 H GLY 12 0.767 10.441 0.727
62 1HA GLY 12 2HA GLY 12 1.509 11.729 2.648
63 2HA GLY 12 1HA GLY 12 0.390 12.995 2.153
64 H ARG 13 H ARG 13 -1.288 10.334 1.530
65 HA ARG 13 HA ARG 13 -2.905 10.496 3.849
66 1HB ARG 13 2HB ARG 13 -4.028 8.443 2.893
67 2HB ARG 13 1HB ARG 13 -3.990 9.845 1.836
68 1HG ARG 13 2HG ARG 13 -1.988 8.843 0.733
69 2HG ARG 13 1HG ARG 13 -2.272 7.389 1.682
70 1HD ARG 13 2HD ARG 13 -4.342 6.984 0.620
71 2HD ARG 13 1HD ARG 13 -4.378 8.598 -0.087
72 HE ARG 13 HE ARG 13 -2.311 6.652 -0.882
73 1HH1 ARG 13 1HH1 ARG 13 -4.947 8.810 -1.671
74 2HH1 ARG 13 2HH1 ARG 13 -4.722 8.670 -3.382
75 1HH2 ARG 13 1HH2 ARG 13 -1.956 6.490 -3.134
76 2HH2 ARG 13 2HH2 ARG 13 -3.007 7.360 -4.215
77 H MET 14 H MET 14 -2.961 9.356 5.635
78 HA MET 14 HA MET 14 -0.719 7.575 6.200
79 1HB MET 14 2HB MET 14 -1.932 9.591 7.642
80 2HB MET 14 1HB MET 14 -2.631 8.146 8.355
81 1HG MET 14 2HG MET 14 -0.712 8.770 9.614
82 2HG MET 14 1HG MET 14 -0.345 7.287 8.738
83 1HE MET 14 1HE MET 14 3.058 9.347 8.924
84 2HE MET 14 2HE MET 14 2.264 7.837 9.376
85 3HE MET 14 3HE MET 14 1.761 9.355 10.123
86 H ILE 15 H ILE 15 -1.199 5.568 5.448
87 HA ILE 15 HA ILE 15 -3.896 4.532 5.749
88 HB ILE 15 HB ILE 15 -1.455 3.214 4.557
89 1HG1 ILE 15 2HG1 ILE 15 -3.801 4.590 3.226
90 2HG1 ILE 15 1HG1 ILE 15 -2.161 5.223 3.314
91 1HG2 ILE 15 1HG2 ILE 15 -3.095 1.600 5.352
92 2HG2 ILE 15 2HG2 ILE 15 -3.054 1.628 3.588
93 3HG2 ILE 15 3HG2 ILE 15 -4.362 2.436 4.454
94 1HD1 ILE 15 1HD1 ILE 15 -2.610 4.271 1.137
95 2HD1 ILE 15 2HD1 ILE 15 -3.024 2.727 1.877
96 3HD1 ILE 15 3HD1 ILE 15 -1.374 3.337 1.974
97 H LEU 16 H LEU 16 -4.506 3.539 7.533
98 HA LEU 16 HA LEU 16 -2.614 2.564 9.459
99 1HB LEU 16 2HB LEU 16 -5.630 2.430 9.340
100 2HB LEU 16 1HB LEU 16 -4.692 1.749 10.652
101 HG LEU 16 HG LEU 16 -5.513 3.831 11.411
102 1HD1 LEU 16 1HD1 LEU 16 -2.644 4.195 10.577
103 2HD1 LEU 16 2HD1 LEU 16 -3.220 3.393 12.039
104 3HD1 LEU 16 3HD1 LEU 16 -3.480 5.124 11.822
105 1HD2 LEU 16 1HD2 LEU 16 -6.102 4.797 9.244
106 2HD2 LEU 16 2HD2 LEU 16 -4.397 5.107 8.918
107 3HD2 LEU 16 3HD2 LEU 16 -5.206 5.940 10.245
108 H THR 17 H THR 17 -1.479 0.921 8.484
109 HA THR 17 HA THR 17 -2.932 -1.258 7.262
110 HB THR 17 HB THR 17 -0.528 -2.180 6.998
111 HG1 THR 17 HG1 THR 17 1.108 -0.836 7.461
112 1HG2 THR 17 1HG2 THR 17 -1.335 0.389 5.615
113 2HG2 THR 17 2HG2 THR 17 -1.837 -1.234 5.149
114 3HG2 THR 17 3HG2 THR 17 -0.142 -0.768 5.024
115 H ASP 18 H ASP 18 -3.352 -3.171 8.177
116 HA ASP 18 HA ASP 18 -3.075 -3.720 10.898
117 1HB ASP 18 2HB ASP 18 -4.597 -4.906 9.287
118 2HB ASP 18 1HB ASP 18 -3.191 -5.760 8.663
119 H GLY 19 H GLY 19 -1.078 -4.709 8.153
120 1HA GLY 19 2HA GLY 19 1.221 -3.658 9.017
121 2HA GLY 19 1HA GLY 19 1.213 -5.206 9.853
122 H LYS 20 H LYS 20 2.806 -3.938 7.384
123 HA LYS 20 HA LYS 20 4.157 -5.190 6.049
124 1HB LYS 20 2HB LYS 20 3.754 -7.105 7.648
125 2HB LYS 20 1HB LYS 20 2.510 -7.656 6.530
126 1HG LYS 20 2HG LYS 20 4.063 -8.049 4.818
127 2HG LYS 20 1HG LYS 20 5.321 -7.121 5.636
128 1HD LYS 20 2HD LYS 20 5.300 -8.847 7.449
129 2HD LYS 20 1HD LYS 20 4.201 -9.802 6.449
130 1HE LYS 20 2HE LYS 20 5.846 -9.998 4.720
131 2HE LYS 20 1HE LYS 20 6.912 -8.856 5.540
132 1HZ LYS 20 1HZ LYS 20 6.150 -11.554 6.537
133 2HZ LYS 20 2HZ LYS 20 7.123 -10.445 7.366
134 3HZ LYS 20 3HZ LYS 20 7.657 -11.109 5.902
135 HA PRO 21 HA PRO 21 1.424 -4.619 2.512
136 1HB PRO 21 2HB PRO 21 3.793 -3.463 1.282
137 2HB PRO 21 1HB PRO 21 2.241 -2.699 1.633
138 1HG PRO 21 2HG PRO 21 4.540 -2.067 2.940
139 2HG PRO 21 1HG PRO 21 2.933 -1.930 3.671
140 1HD PRO 21 2HD PRO 21 4.995 -4.073 4.014
141 2HD PRO 21 1HD PRO 21 3.919 -3.336 5.221
142 H GLU 22 H GLU 22 1.183 -6.280 1.156
143 HA GLU 22 HA GLU 22 3.431 -8.008 0.543
144 1HB GLU 22 2HB GLU 22 0.994 -8.759 1.023
145 2HB GLU 22 1HB GLU 22 0.672 -8.262 -0.632
146 1HG GLU 22 2HG GLU 22 1.078 -10.602 -0.630
147 2HG GLU 22 1HG GLU 22 2.467 -9.815 -1.380
148 H ILE 23 H ILE 23 4.792 -7.042 -0.856
149 HA ILE 23 HA ILE 23 3.689 -5.418 -3.003
150 HB ILE 23 HB ILE 23 6.593 -5.854 -2.285
151 1HG1 ILE 23 2HG1 ILE 23 4.713 -3.613 -1.501
152 2HG1 ILE 23 1HG1 ILE 23 5.344 -4.849 -0.419
153 1HG2 ILE 23 1HG2 ILE 23 6.964 -3.808 -3.583
154 2HG2 ILE 23 2HG2 ILE 23 5.246 -3.755 -3.983
155 3HG2 ILE 23 3HG2 ILE 23 6.246 -5.082 -4.571
156 1HD1 ILE 23 1HD1 ILE 23 7.613 -4.004 -0.808
157 2HD1 ILE 23 2HD1 ILE 23 6.544 -2.780 -0.124
158 3HD1 ILE 23 3HD1 ILE 23 6.948 -2.739 -1.841
159 H ASP 24 H ASP 24 3.182 -6.382 -4.834
160 HA ASP 24 HA ASP 24 4.727 -8.650 -5.808
161 1HB ASP 24 2HB ASP 24 2.261 -7.246 -6.833
162 2HB ASP 24 1HB ASP 24 3.100 -8.480 -7.768
163 H ASP 25 H ASP 25 6.631 -8.131 -6.623
164 HA ASP 25 HA ASP 25 7.235 -5.434 -7.333
165 1HB ASP 25 2HB ASP 25 8.752 -7.053 -6.121
166 2HB ASP 25 1HB ASP 25 8.993 -7.872 -7.658
167 H ASP 26 H ASP 26 6.508 -8.346 -9.101
168 HA ASP 26 HA ASP 26 7.687 -7.587 -11.559
169 1HB ASP 26 2HB ASP 26 5.435 -9.522 -10.995
170 2HB ASP 26 1HB ASP 26 6.178 -9.320 -12.575
171 H THR 27 H THR 27 4.367 -7.287 -10.332
172 HA THR 27 HA THR 27 3.615 -5.815 -12.736
173 HB THR 27 HB THR 27 2.044 -7.506 -12.012
174 HG1 THR 27 HG1 THR 27 1.372 -4.825 -12.073
175 1HG2 THR 27 1HG2 THR 27 0.844 -7.343 -9.888
176 2HG2 THR 27 2HG2 THR 27 1.829 -5.951 -9.436
177 3HG2 THR 27 3HG2 THR 27 2.577 -7.536 -9.627
178 H GLY 28 H GLY 28 4.559 -5.174 -9.492
179 1HA GLY 28 2HA GLY 28 5.119 -3.083 -8.631
180 2HA GLY 28 1HA GLY 28 4.338 -2.334 -10.018
181 H LEU 29 H LEU 29 2.765 -4.724 -8.005
182 HA LEU 29 HA LEU 29 0.915 -2.624 -7.099
183 1HB LEU 29 2HB LEU 29 0.394 -5.595 -7.283
184 2HB LEU 29 1HB LEU 29 -0.774 -4.360 -6.860
185 HG LEU 29 HG LEU 29 0.518 -4.765 -9.556
186 1HD1 LEU 29 1HD1 LEU 29 -1.769 -5.252 -10.283
187 2HD1 LEU 29 2HD1 LEU 29 -2.324 -5.107 -8.618
188 3HD1 LEU 29 3HD1 LEU 29 -1.206 -6.392 -9.066
189 1HD2 LEU 29 1HD2 LEU 29 -1.487 -2.680 -8.715
190 2HD2 LEU 29 2HD2 LEU 29 -0.895 -2.959 -10.352
191 3HD2 LEU 29 3HD2 LEU 29 0.209 -2.387 -9.102
192 H VAL 30 H VAL 30 0.550 -2.346 -4.956
193 HA VAL 30 HA VAL 30 2.049 -4.122 -3.135
194 HB VAL 30 HB VAL 30 1.332 -1.212 -2.734
195 1HG1 VAL 30 1HG1 VAL 30 2.802 -1.370 -0.757
196 2HG1 VAL 30 2HG1 VAL 30 2.920 -3.110 -1.014
197 3HG1 VAL 30 3HG1 VAL 30 1.363 -2.378 -0.623
198 1HG2 VAL 30 1HG2 VAL 30 3.742 -0.807 -2.913
199 2HG2 VAL 30 2HG2 VAL 30 3.075 -1.479 -4.399
200 3HG2 VAL 30 3HG2 VAL 30 3.992 -2.509 -3.302
201 H SER 31 H SER 31 0.630 -5.524 -2.315
202 HA SER 31 HA SER 31 -2.106 -4.734 -1.805
203 1HB SER 31 2HB SER 31 -1.530 -6.981 -2.749
204 2HB SER 31 1HB SER 31 -0.767 -7.383 -1.213
205 HG SER 31 HG SER 31 -3.464 -6.540 -1.404
206 H TYR 32 H TYR 32 -2.315 -3.454 -0.109
207 HA TYR 32 HA TYR 32 -0.875 -4.065 2.360
208 1HB TYR 32 2HB TYR 32 -1.566 -1.840 3.118
209 2HB TYR 32 1HB TYR 32 -0.734 -1.743 1.572
210 HD1 TYR 32 HD2 TYR 32 -2.395 -1.871 -0.523
211 HD2 TYR 32 HD1 TYR 32 -3.485 -0.588 3.375
212 HE1 TYR 32 HE2 TYR 32 -4.297 -0.642 -1.470
213 HE2 TYR 32 HE1 TYR 32 -5.391 0.652 2.436
214 HH TYR 32 HH TYR 32 -6.001 1.684 0.207
215 H HIS 33 H HIS 33 -2.273 -3.505 4.385
216 HA HIS 33 HA HIS 33 -4.897 -4.795 4.056
217 1HB HIS 33 2HB HIS 33 -2.939 -5.369 6.300
218 2HB HIS 33 1HB HIS 33 -4.512 -6.120 6.070
219 HD1 HIS 33 HD1 HIS 33 -1.001 -6.661 5.406
220 HD2 HIS 33 HD2 HIS 33 -4.573 -7.700 3.543
221 HE1 HIS 33 HE1 HIS 33 -0.429 -8.541 3.844
222 HE2 HIS 33 HE2 HIS 33 -2.626 -9.253 2.841
223 H ASP 34 H ASP 34 -6.360 -3.333 4.656
224 HA ASP 34 HA ASP 34 -5.912 -1.092 6.282
225 1HB ASP 34 2HB ASP 34 -8.156 -2.298 4.954
226 2HB ASP 34 1HB ASP 34 -8.626 -1.808 6.577
227 H GLN 35 H GLN 35 -6.704 -0.591 8.347
228 HA GLN 35 HA GLN 35 -6.461 -2.453 10.421
229 1HB GLN 35 2HB GLN 35 -7.686 -0.703 11.759
230 2HB GLN 35 1HB GLN 35 -6.291 -0.100 10.875
231 1HG GLN 35 2HG GLN 35 -7.834 0.673 9.090
232 2HG GLN 35 1HG GLN 35 -9.186 0.205 10.120
233 1HE2 GLN 35 1HE2 GLN 35 -8.492 2.811 9.080
234 2HE2 GLN 35 2HE2 GLN 35 -8.273 3.839 10.456
235 H GLN 36 H GLN 36 -9.094 -1.597 8.334
236 HA GLN 36 HA GLN 36 -11.178 -2.905 9.770
237 1HB GLN 36 2HB GLN 36 -11.593 -1.131 8.117
238 2HB GLN 36 1HB GLN 36 -10.949 -2.158 6.847
239 1HG GLN 36 2HG GLN 36 -13.302 -2.219 6.676
240 2HG GLN 36 1HG GLN 36 -12.793 -3.773 7.333
241 1HE2 GLN 36 1HE2 GLN 36 -13.277 -4.276 9.476
242 2HE2 GLN 36 2HE2 GLN 36 -14.456 -3.389 10.380
243 H GLY 37 H GLY 37 -8.592 -3.998 7.826
244 1HA GLY 37 2HA GLY 37 -8.041 -6.303 7.612
245 2HA GLY 37 1HA GLY 37 -9.750 -6.695 7.748
246 H ASN 38 H ASN 38 -8.949 -4.070 5.719
247 HA ASN 38 HA ASN 38 -9.922 -5.486 3.404
248 1HB ASN 38 2HB ASN 38 -8.870 -2.660 3.695
249 2HB ASN 38 1HB ASN 38 -9.626 -3.311 2.246
250 1HD2 ASN 38 1HD2 ASN 38 -10.345 -1.076 4.022
251 2HD2 ASN 38 2HD2 ASN 38 -11.986 -1.390 4.499
252 H ALA 39 H ALA 39 -8.590 -6.770 2.282
253 HA ALA 39 HA ALA 39 -5.764 -6.097 2.060
254 1HB ALA 39 1HB ALA 39 -6.416 -8.446 2.409
255 2HB ALA 39 2HB ALA 39 -5.536 -8.223 0.896
256 3HB ALA 39 3HB ALA 39 -7.289 -8.419 0.875
257 H MET 40 H MET 40 -5.689 -4.266 0.822
258 HA MET 40 HA MET 40 -6.911 -4.432 -1.855
259 1HB MET 40 2HB MET 40 -6.448 -1.999 -0.115
260 2HB MET 40 1HB MET 40 -7.001 -1.934 -1.785
261 1HG MET 40 2HG MET 40 -8.964 -3.277 -1.141
262 2HG MET 40 1HG MET 40 -8.427 -3.213 0.535
263 1HE MET 40 1HE MET 40 -7.427 -0.328 1.035
264 2HE MET 40 2HE MET 40 -8.591 -1.154 2.074
265 3HE MET 40 3HE MET 40 -8.918 0.488 1.513
266 H GLN 41 H GLN 41 -5.699 -2.649 -3.330
267 HA GLN 41 HA GLN 41 -2.827 -3.165 -2.979
268 1HB GLN 41 2HB GLN 41 -4.410 -3.615 -5.516
269 2HB GLN 41 1HB GLN 41 -2.657 -3.700 -5.391
270 1HG GLN 41 2HG GLN 41 -2.835 -5.552 -3.834
271 2HG GLN 41 1HG GLN 41 -4.593 -5.461 -3.906
272 1HE2 GLN 41 1HE2 GLN 41 -4.583 -4.884 -6.775
273 2HE2 GLN 41 2HE2 GLN 41 -4.215 -6.383 -7.563
274 H ILE 42 H ILE 42 -1.737 -1.347 -3.019
275 HA ILE 42 HA ILE 42 -2.682 0.890 -4.674
276 HB ILE 42 HB ILE 42 -1.048 2.289 -3.543
277 1HG1 ILE 42 2HG1 ILE 42 -0.287 -0.007 -1.759
278 2HG1 ILE 42 1HG1 ILE 42 0.573 0.293 -3.266
279 1HG2 ILE 42 1HG2 ILE 42 -3.203 2.045 -2.449
280 2HG2 ILE 42 2HG2 ILE 42 -1.916 2.234 -1.255
281 3HG2 ILE 42 3HG2 ILE 42 -2.610 0.641 -1.559
282 1HD1 ILE 42 1HD1 ILE 42 1.708 1.281 -1.360
283 2HD1 ILE 42 2HD1 ILE 42 0.276 2.248 -1.005
284 3HD1 ILE 42 3HD1 ILE 42 1.170 2.510 -2.506
285 H ASN 43 H ASN 43 -0.582 2.147 -5.540
286 HA ASN 43 HA ASN 43 0.833 0.231 -7.202
287 1HB ASN 43 2HB ASN 43 0.346 3.151 -7.286
288 2HB ASN 43 1HB ASN 43 1.882 2.603 -7.939
289 1HD2 ASN 43 1HD2 ASN 43 0.828 0.048 -8.837
290 2HD2 ASN 43 2HD2 ASN 43 -0.148 0.385 -10.223
291 H ARG 44 H ARG 44 3.029 -0.086 -7.212
292 HA ARG 44 HA ARG 44 4.462 0.210 -4.799
293 1HB ARG 44 2HB ARG 44 4.838 -1.534 -6.561
294 2HB ARG 44 1HB ARG 44 5.557 -0.298 -7.576
295 1HG ARG 44 2HG ARG 44 6.705 -0.647 -4.874
296 2HG ARG 44 1HG ARG 44 6.986 -1.934 -6.045
297 1HD ARG 44 2HD ARG 44 7.684 0.986 -6.347
298 2HD ARG 44 1HD ARG 44 8.808 -0.354 -6.126
299 HE ARG 44 HE ARG 44 7.202 0.160 -8.547
300 1HH1 ARG 44 1HH1 ARG 44 9.894 -1.426 -6.948
301 2HH1 ARG 44 2HH1 ARG 44 10.642 -1.939 -8.432
302 1HH2 ARG 44 1HH2 ARG 44 8.166 -0.530 -10.496
303 2HH2 ARG 44 2HH2 ARG 44 9.655 -1.428 -10.456
304 H ASP 45 H ASP 45 3.873 2.314 -7.386
305 HA ASP 45 HA ASP 45 6.164 4.032 -6.930
306 1HB ASP 45 2HB ASP 45 5.245 3.632 -9.209
307 2HB ASP 45 1HB ASP 45 3.755 4.430 -8.724
308 H ASP 46 H ASP 46 3.043 3.639 -5.667
309 HA ASP 46 HA ASP 46 2.682 6.459 -5.013
310 1HB ASP 46 2HB ASP 46 0.726 5.191 -5.792
311 2HB ASP 46 1HB ASP 46 0.896 4.086 -4.431
312 H VAL 47 H VAL 47 3.462 3.413 -3.472
313 HA VAL 47 HA VAL 47 3.332 4.406 -0.801
314 HB VAL 47 HB VAL 47 3.261 1.982 -1.330
315 1HG1 VAL 47 1HG1 VAL 47 5.344 0.784 -1.826
316 2HG1 VAL 47 2HG1 VAL 47 6.175 2.331 -1.998
317 3HG1 VAL 47 3HG1 VAL 47 4.883 1.894 -3.118
318 1HG2 VAL 47 1HG2 VAL 47 3.842 2.694 0.921
319 2HG2 VAL 47 2HG2 VAL 47 5.543 2.779 0.469
320 3HG2 VAL 47 3HG2 VAL 47 4.712 1.225 0.483
321 H SER 48 H SER 48 5.045 5.127 0.526
322 HA SER 48 HA SER 48 7.523 5.825 -0.873
323 1HB SER 48 2HB SER 48 5.960 7.746 -1.047
324 2HB SER 48 1HB SER 48 5.864 7.808 0.711
325 HG SER 48 HG SER 48 8.093 8.332 -0.965
326 H GLN 49 H GLN 49 5.980 6.418 2.311
327 HA GLN 49 HA GLN 49 8.532 5.587 3.522
328 1HB GLN 49 2HB GLN 49 6.548 7.693 4.361
329 2HB GLN 49 1HB GLN 49 7.775 7.069 5.453
330 1HG GLN 49 2HG GLN 49 8.532 8.187 2.784
331 2HG GLN 49 1HG GLN 49 8.228 9.248 4.156
332 1HE2 GLN 49 1HE2 GLN 49 9.636 6.073 4.543
333 2HE2 GLN 49 2HE2 GLN 49 11.215 6.618 4.977
334 H ILE 50 H ILE 50 8.407 3.707 4.494
335 HA ILE 50 HA ILE 50 5.966 3.017 5.984
336 HB ILE 50 HB ILE 50 8.365 1.265 5.340
337 1HG1 ILE 50 2HG1 ILE 50 7.171 1.881 3.287
338 2HG1 ILE 50 1HG1 ILE 50 6.940 0.177 3.661
339 1HG2 ILE 50 1HG2 ILE 50 6.920 -0.598 6.011
340 2HG2 ILE 50 2HG2 ILE 50 5.642 0.543 6.426
341 3HG2 ILE 50 3HG2 ILE 50 7.154 0.546 7.334
342 1HD1 ILE 50 1HD1 ILE 50 4.964 2.394 4.152
343 2HD1 ILE 50 2HD1 ILE 50 4.727 0.702 4.588
344 3HD1 ILE 50 3HD1 ILE 50 4.876 1.164 2.892
345 H ILE 51 H ILE 51 6.416 2.187 8.253
346 HA ILE 51 HA ILE 51 8.537 3.744 9.474
347 HB ILE 51 HB ILE 51 6.674 1.805 10.859
348 1HG1 ILE 51 2HG1 ILE 51 6.345 4.780 10.399
349 2HG1 ILE 51 1HG1 ILE 51 5.405 3.517 9.614
350 1HG2 ILE 51 1HG2 ILE 51 8.650 2.440 12.148
351 2HG2 ILE 51 2HG2 ILE 51 7.194 3.153 12.844
352 3HG2 ILE 51 3HG2 ILE 51 8.288 4.146 11.879
353 1HD1 ILE 51 1HD1 ILE 51 5.434 4.109 12.563
354 2HD1 ILE 51 2HD1 ILE 51 4.481 2.858 11.762
355 3HD1 ILE 51 3HD1 ILE 51 4.169 4.560 11.420
356 H GLU 52 H GLU 52 10.099 2.517 8.121
357 HA GLU 52 HA GLU 52 10.519 -0.248 8.403
358 1HB GLU 52 2HB GLU 52 12.553 1.864 7.657
359 2HB GLU 52 1HB GLU 52 12.710 0.139 7.373
360 1HG GLU 52 2HG GLU 52 11.965 0.664 5.329
361 2HG GLU 52 1HG GLU 52 10.382 0.628 6.104
362 H ARG 53 H ARG 53 11.888 2.509 10.117
363 HA ARG 53 HA ARG 53 13.237 0.620 11.918
364 1HB ARG 53 2HB ARG 53 14.617 2.389 10.705
365 2HB ARG 53 1HB ARG 53 13.823 3.573 11.737
366 1HG ARG 53 2HG ARG 53 15.940 3.013 12.700
367 2HG ARG 53 1HG ARG 53 14.665 2.339 13.718
368 1HD ARG 53 2HD ARG 53 14.987 0.185 12.372
369 2HD ARG 53 1HD ARG 53 16.487 0.915 11.801
370 HE ARG 53 HE ARG 53 15.995 0.635 14.687
371 1HH1 ARG 53 1HH1 ARG 53 17.938 -0.001 11.847
372 2HH1 ARG 53 2HH1 ARG 53 19.157 -0.893 12.714
373 1HH2 ARG 53 1HH2 ARG 53 17.589 -0.542 15.845
374 2HH2 ARG 53 2HH2 ARG 53 18.967 -1.173 14.995
Start of MODEL 11
1 H ASP 4 H ASP 4 -0.947 2.526 15.763
2 HA ASP 4 HA ASP 4 0.088 -0.142 15.437
3 1HB ASP 4 2HB ASP 4 -1.797 -0.385 13.806
4 2HB ASP 4 1HB ASP 4 -2.304 0.107 15.418
5 H TYR 5 H TYR 5 0.085 -0.907 12.988
6 HA TYR 5 HA TYR 5 2.432 0.261 11.908
7 1HB TYR 5 2HB TYR 5 0.590 -1.628 10.442
8 2HB TYR 5 1HB TYR 5 2.324 -1.429 10.232
9 HD1 TYR 5 HD1 TYR 5 3.879 -2.287 12.010
10 HD2 TYR 5 HD2 TYR 5 -0.295 -3.123 12.049
11 HE1 TYR 5 HE1 TYR 5 4.269 -4.158 13.561
12 HE2 TYR 5 HE2 TYR 5 0.084 -4.988 13.602
13 HH TYR 5 HH TYR 5 2.884 -5.432 15.325
14 H VAL 6 H VAL 6 2.662 1.760 10.329
15 HA VAL 6 HA VAL 6 0.237 2.695 8.979
16 HB VAL 6 HB VAL 6 1.098 5.047 9.220
17 1HG1 VAL 6 1HG1 VAL 6 0.221 5.327 11.488
18 2HG1 VAL 6 2HG1 VAL 6 0.343 3.585 11.745
19 3HG1 VAL 6 3HG1 VAL 6 -0.771 4.222 10.533
20 1HG2 VAL 6 1HG2 VAL 6 2.864 3.774 11.308
21 2HG2 VAL 6 2HG2 VAL 6 2.626 5.508 11.088
22 3HG2 VAL 6 3HG2 VAL 6 3.401 4.556 9.820
23 H MET 7 H MET 7 0.475 3.470 6.940
24 HA MET 7 HA MET 7 3.185 3.571 5.816
25 1HB MET 7 2HB MET 7 2.235 1.395 5.215
26 2HB MET 7 1HB MET 7 0.807 2.183 4.560
27 1HG MET 7 2HG MET 7 2.202 3.274 2.863
28 2HG MET 7 1HG MET 7 3.616 2.442 3.509
29 1HE MET 7 1HE MET 7 0.041 0.257 1.571
30 2HE MET 7 2HE MET 7 0.138 2.013 1.723
31 3HE MET 7 3HE MET 7 -0.030 1.009 3.163
32 H ALA 8 H ALA 8 3.402 5.648 5.290
33 HA ALA 8 HA ALA 8 1.116 7.161 4.306
34 1HB ALA 8 1HB ALA 8 3.950 8.052 4.831
35 2HB ALA 8 2HB ALA 8 2.599 8.200 5.953
36 3HB ALA 8 3HB ALA 8 2.586 9.099 4.436
37 H THR 9 H THR 9 0.701 7.346 2.207
38 HA THR 9 HA THR 9 2.615 6.307 0.301
39 HB THR 9 HB THR 9 0.767 6.692 -1.350
40 HG1 THR 9 HG1 THR 9 -1.274 7.232 -0.489
41 1HG2 THR 9 1HG2 THR 9 1.073 4.523 -0.255
42 2HG2 THR 9 2HG2 THR 9 -0.638 4.863 -0.512
43 3HG2 THR 9 3HG2 THR 9 0.067 5.056 1.092
44 H LYS 10 H LYS 10 2.508 7.582 -1.903
45 HA LYS 10 HA LYS 10 4.036 9.914 -1.534
46 1HB LYS 10 2HB LYS 10 4.237 8.436 -3.475
47 2HB LYS 10 1HB LYS 10 2.616 8.873 -3.990
48 1HG LYS 10 2HG LYS 10 3.298 11.093 -4.508
49 2HG LYS 10 1HG LYS 10 4.881 10.840 -3.765
50 1HD LYS 10 2HD LYS 10 4.968 10.694 -6.226
51 2HD LYS 10 1HD LYS 10 5.434 9.181 -5.447
52 1HE LYS 10 2HE LYS 10 3.074 8.393 -5.780
53 2HE LYS 10 1HE LYS 10 2.801 9.834 -6.759
54 1HZ LYS 10 1HZ LYS 10 4.792 7.697 -7.306
55 2HZ LYS 10 2HZ LYS 10 4.592 9.101 -8.232
56 3HZ LYS 10 3HZ LYS 10 3.348 7.961 -8.151
57 H ASP 11 H ASP 11 0.647 9.388 -1.805
58 HA ASP 11 HA ASP 11 -0.202 11.994 -2.477
59 1HB ASP 11 2HB ASP 11 -1.832 10.298 -2.651
60 2HB ASP 11 1HB ASP 11 -1.498 9.690 -1.034
61 H GLY 12 H GLY 12 0.779 10.505 0.540
62 1HA GLY 12 2HA GLY 12 1.717 11.898 2.272
63 2HA GLY 12 1HA GLY 12 0.562 13.145 1.830
64 H ARG 13 H ARG 13 -1.211 10.463 1.656
65 HA ARG 13 HA ARG 13 -2.447 10.881 4.209
66 1HB ARG 13 2HB ARG 13 -4.012 9.115 3.509
67 2HB ARG 13 1HB ARG 13 -3.825 10.345 2.266
68 1HG ARG 13 2HG ARG 13 -2.260 8.861 1.077
69 2HG ARG 13 1HG ARG 13 -2.541 7.620 2.298
70 1HD ARG 13 2HD ARG 13 -3.899 7.215 0.318
71 2HD ARG 13 1HD ARG 13 -4.916 7.578 1.713
72 HE ARG 13 HE ARG 13 -4.401 9.965 0.310
73 1HH1 ARG 13 1HH1 ARG 13 -6.102 6.932 -0.158
74 2HH1 ARG 13 2HH1 ARG 13 -7.368 7.643 -1.121
75 1HH2 ARG 13 1HH2 ARG 13 -6.068 10.902 -0.959
76 2HH2 ARG 13 2HH2 ARG 13 -7.336 9.894 -1.594
77 H MET 14 H MET 14 -2.203 9.754 6.027
78 HA MET 14 HA MET 14 -0.184 7.659 6.095
79 1HB MET 14 2HB MET 14 -0.209 9.480 7.808
80 2HB MET 14 1HB MET 14 -1.762 8.879 8.374
81 1HG MET 14 2HG MET 14 -0.092 8.054 9.840
82 2HG MET 14 1HG MET 14 -0.653 6.699 8.861
83 1HE MET 14 1HE MET 14 3.354 8.901 8.231
84 2HE MET 14 2HE MET 14 2.201 9.279 9.509
85 3HE MET 14 3HE MET 14 1.797 9.625 7.828
86 H ILE 15 H ILE 15 -1.018 5.788 5.337
87 HA ILE 15 HA ILE 15 -3.735 5.021 5.924
88 HB ILE 15 HB ILE 15 -1.551 3.478 4.514
89 1HG1 ILE 15 2HG1 ILE 15 -3.878 5.073 3.402
90 2HG1 ILE 15 1HG1 ILE 15 -2.189 5.567 3.358
91 1HG2 ILE 15 1HG2 ILE 15 -3.361 2.062 3.681
92 2HG2 ILE 15 2HG2 ILE 15 -4.521 2.968 4.652
93 3HG2 ILE 15 3HG2 ILE 15 -3.266 2.012 5.441
94 1HD1 ILE 15 1HD1 ILE 15 -2.932 4.675 1.217
95 2HD1 ILE 15 2HD1 ILE 15 -3.343 3.146 1.993
96 3HD1 ILE 15 3HD1 ILE 15 -1.661 3.676 1.923
97 H LEU 16 H LEU 16 -4.354 3.994 7.678
98 HA LEU 16 HA LEU 16 -2.493 2.815 9.507
99 1HB LEU 16 2HB LEU 16 -5.510 2.656 9.469
100 2HB LEU 16 1HB LEU 16 -4.481 2.176 10.799
101 HG LEU 16 HG LEU 16 -5.325 4.239 11.456
102 1HD1 LEU 16 1HD1 LEU 16 -2.925 4.142 11.767
103 2HD1 LEU 16 2HD1 LEU 16 -3.445 5.794 11.434
104 3HD1 LEU 16 3HD1 LEU 16 -2.673 4.840 10.168
105 1HD2 LEU 16 1HD2 LEU 16 -5.433 6.226 10.055
106 2HD2 LEU 16 2HD2 LEU 16 -6.331 4.889 9.335
107 3HD2 LEU 16 3HD2 LEU 16 -4.741 5.323 8.707
108 H THR 17 H THR 17 -1.579 0.925 9.090
109 HA THR 17 HA THR 17 -3.001 -0.923 7.295
110 HB THR 17 HB THR 17 -0.596 -1.786 6.849
111 HG1 THR 17 HG1 THR 17 -0.076 0.194 8.581
112 1HG2 THR 17 1HG2 THR 17 -0.259 -0.106 5.095
113 2HG2 THR 17 2HG2 THR 17 -1.444 0.946 5.868
114 3HG2 THR 17 3HG2 THR 17 -1.949 -0.600 5.187
115 H ASP 18 H ASP 18 -3.301 -3.020 7.885
116 HA ASP 18 HA ASP 18 -2.125 -4.106 10.263
117 1HB ASP 18 2HB ASP 18 -4.130 -5.173 9.390
118 2HB ASP 18 1HB ASP 18 -3.353 -5.449 7.833
119 H GLY 19 H GLY 19 -0.107 -4.984 10.456
120 1HA GLY 19 2HA GLY 19 1.795 -3.867 8.712
121 2HA GLY 19 1HA GLY 19 2.149 -5.045 9.970
122 H LYS 20 H LYS 20 3.435 -4.938 7.360
123 HA LYS 20 HA LYS 20 4.303 -6.714 6.179
124 1HB LYS 20 2HB LYS 20 1.862 -8.257 7.026
125 2HB LYS 20 1HB LYS 20 3.080 -8.882 5.924
126 1HG LYS 20 2HG LYS 20 4.764 -8.764 7.626
127 2HG LYS 20 1HG LYS 20 3.653 -7.943 8.725
128 1HD LYS 20 2HD LYS 20 2.245 -9.910 8.827
129 2HD LYS 20 1HD LYS 20 3.261 -10.731 7.639
130 1HE LYS 20 2HE LYS 20 3.772 -11.489 9.888
131 2HE LYS 20 1HE LYS 20 5.146 -10.640 9.183
132 1HZ LYS 20 1HZ LYS 20 3.248 -9.615 11.220
133 2HZ LYS 20 2HZ LYS 20 4.373 -8.638 10.422
134 3HZ LYS 20 3HZ LYS 20 4.908 -9.909 11.404
135 HA PRO 21 HA PRO 21 1.754 -5.274 2.731
136 1HB PRO 21 2HB PRO 21 3.500 -3.538 1.673
137 2HB PRO 21 1HB PRO 21 2.463 -3.100 3.034
138 1HG PRO 21 2HG PRO 21 5.358 -3.738 2.987
139 2HG PRO 21 1HG PRO 21 4.463 -2.645 4.054
140 1HD PRO 21 2HD PRO 21 5.290 -5.286 4.640
141 2HD PRO 21 1HD PRO 21 4.192 -4.279 5.601
142 H GLU 22 H GLU 22 1.732 -6.555 1.034
143 HA GLU 22 HA GLU 22 4.094 -8.064 0.298
144 1HB GLU 22 2HB GLU 22 1.252 -8.148 -0.727
145 2HB GLU 22 1HB GLU 22 2.533 -9.208 -1.289
146 1HG GLU 22 2HG GLU 22 1.572 -9.039 1.559
147 2HG GLU 22 1HG GLU 22 1.060 -10.256 0.388
148 H ILE 23 H ILE 23 5.525 -7.003 -0.908
149 HA ILE 23 HA ILE 23 4.656 -5.067 -2.892
150 HB ILE 23 HB ILE 23 7.473 -5.967 -2.266
151 1HG1 ILE 23 2HG1 ILE 23 5.898 -3.614 -1.191
152 2HG1 ILE 23 1HG1 ILE 23 6.382 -5.034 -0.274
153 1HG2 ILE 23 1HG2 ILE 23 7.237 -4.893 -4.442
154 2HG2 ILE 23 2HG2 ILE 23 8.108 -3.843 -3.324
155 3HG2 ILE 23 3HG2 ILE 23 6.411 -3.526 -3.691
156 1HD1 ILE 23 1HD1 ILE 23 8.728 -4.434 -0.591
157 2HD1 ILE 23 2HD1 ILE 23 7.822 -3.153 0.216
158 3HD1 ILE 23 3HD1 ILE 23 8.233 -3.001 -1.493
159 H ASP 24 H ASP 24 3.846 -5.955 -4.670
160 HA ASP 24 HA ASP 24 4.936 -8.391 -5.800
161 1HB ASP 24 2HB ASP 24 2.580 -8.259 -5.907
162 2HB ASP 24 1HB ASP 24 2.614 -6.596 -6.481
163 H ASP 25 H ASP 25 6.131 -8.564 -7.636
164 HA ASP 25 HA ASP 25 7.072 -6.039 -8.814
165 1HB ASP 25 2HB ASP 25 9.096 -7.296 -9.490
166 2HB ASP 25 1HB ASP 25 8.861 -7.278 -7.748
167 H ASP 26 H ASP 26 4.803 -8.130 -9.467
168 HA ASP 26 HA ASP 26 5.430 -8.750 -12.239
169 1HB ASP 26 2HB ASP 26 4.191 -10.427 -11.051
170 2HB ASP 26 1HB ASP 26 3.005 -9.248 -10.504
171 H THR 27 H THR 27 2.911 -6.947 -10.515
172 HA THR 27 HA THR 27 2.611 -5.219 -12.887
173 HB THR 27 HB THR 27 0.530 -6.338 -12.414
174 HG1 THR 27 HG1 THR 27 0.721 -3.602 -11.812
175 1HG2 THR 27 1HG2 THR 27 0.741 -5.251 -9.611
176 2HG2 THR 27 2HG2 THR 27 0.940 -6.939 -10.081
177 3HG2 THR 27 3HG2 THR 27 -0.625 -6.148 -10.272
178 H GLY 28 H GLY 28 3.712 -5.404 -9.705
179 1HA GLY 28 2HA GLY 28 4.962 -3.772 -8.614
180 2HA GLY 28 1HA GLY 28 4.379 -2.582 -9.769
181 H LEU 29 H LEU 29 2.302 -4.744 -7.938
182 HA LEU 29 HA LEU 29 1.166 -2.383 -6.624
183 1HB LEU 29 2HB LEU 29 0.033 -5.164 -6.914
184 2HB LEU 29 1HB LEU 29 -0.775 -3.820 -6.132
185 HG LEU 29 HG LEU 29 -0.117 -4.096 -9.059
186 1HD1 LEU 29 1HD1 LEU 29 -2.073 -5.335 -8.324
187 2HD1 LEU 29 2HD1 LEU 29 -2.540 -3.964 -9.332
188 3HD1 LEU 29 3HD1 LEU 29 -2.732 -3.878 -7.581
189 1HD2 LEU 29 1HD2 LEU 29 0.274 -1.791 -8.344
190 2HD2 LEU 29 2HD2 LEU 29 -1.340 -1.739 -7.633
191 3HD2 LEU 29 3HD2 LEU 29 -1.150 -1.918 -9.378
192 H VAL 30 H VAL 30 1.037 -2.184 -4.448
193 HA VAL 30 HA VAL 30 2.441 -4.223 -2.857
194 HB VAL 30 HB VAL 30 1.865 -1.345 -2.117
195 1HG1 VAL 30 1HG1 VAL 30 3.399 -1.736 -0.259
196 2HG1 VAL 30 2HG1 VAL 30 3.604 -3.412 -0.768
197 3HG1 VAL 30 3HG1 VAL 30 2.034 -2.854 -0.189
198 1HG2 VAL 30 1HG2 VAL 30 4.277 -0.980 -2.461
199 2HG2 VAL 30 2HG2 VAL 30 3.462 -1.459 -3.950
200 3HG2 VAL 30 3HG2 VAL 30 4.429 -2.632 -3.058
201 H SER 31 H SER 31 1.047 -5.610 -2.030
202 HA SER 31 HA SER 31 -1.697 -4.873 -1.500
203 1HB SER 31 2HB SER 31 -0.358 -7.493 -0.850
204 2HB SER 31 1HB SER 31 -2.071 -7.198 -1.124
205 HG SER 31 HG SER 31 -0.785 -6.373 -3.282
206 H TYR 32 H TYR 32 -2.558 -4.357 0.402
207 HA TYR 32 HA TYR 32 -1.127 -5.003 2.879
208 1HB TYR 32 2HB TYR 32 -1.294 -2.742 3.715
209 2HB TYR 32 1HB TYR 32 -0.485 -2.683 2.152
210 HD1 TYR 32 HD2 TYR 32 -1.832 -1.970 0.117
211 HD2 TYR 32 HD1 TYR 32 -3.290 -1.544 4.091
212 HE1 TYR 32 HE2 TYR 32 -3.505 -0.342 -0.671
213 HE2 TYR 32 HE1 TYR 32 -4.956 0.083 3.311
214 HH TYR 32 HH TYR 32 -5.483 1.488 1.569
215 H HIS 33 H HIS 33 -2.556 -4.642 4.801
216 HA HIS 33 HA HIS 33 -5.385 -5.045 4.064
217 1HB HIS 33 2HB HIS 33 -4.093 -5.766 6.706
218 2HB HIS 33 1HB HIS 33 -5.692 -6.227 6.142
219 HD1 HIS 33 HD1 HIS 33 -2.809 -7.849 6.888
220 HD2 HIS 33 HD2 HIS 33 -5.033 -7.694 3.369
221 HE1 HIS 33 HE1 HIS 33 -2.173 -9.908 5.588
222 HE2 HIS 33 HE2 HIS 33 -3.650 -9.886 3.547
223 H ASP 34 H ASP 34 -6.863 -3.605 4.735
224 HA ASP 34 HA ASP 34 -6.057 -1.251 6.184
225 1HB ASP 34 2HB ASP 34 -8.377 -2.125 4.679
226 2HB ASP 34 1HB ASP 34 -8.858 -1.368 6.192
227 H GLN 35 H GLN 35 -7.420 -0.542 8.131
228 HA GLN 35 HA GLN 35 -7.128 -2.342 10.263
229 1HB GLN 35 2HB GLN 35 -8.939 0.072 10.069
230 2HB GLN 35 1HB GLN 35 -8.542 -0.771 11.558
231 1HG GLN 35 2HG GLN 35 -6.143 -0.222 11.127
232 2HG GLN 35 1HG GLN 35 -6.689 0.792 9.789
233 1HE2 GLN 35 1HE2 GLN 35 -6.545 0.421 13.234
234 2HE2 GLN 35 2HE2 GLN 35 -7.060 2.023 13.632
235 H GLN 36 H GLN 36 -9.745 -1.795 8.054
236 HA GLN 36 HA GLN 36 -11.795 -3.131 9.461
237 1HB GLN 36 2HB GLN 36 -11.416 -2.815 6.479
238 2HB GLN 36 1HB GLN 36 -12.915 -3.274 7.277
239 1HG GLN 36 2HG GLN 36 -13.057 -1.118 8.339
240 2HG GLN 36 1HG GLN 36 -11.488 -0.658 7.683
241 1HE2 GLN 36 1HE2 GLN 36 -14.846 -1.204 6.971
242 2HE2 GLN 36 2HE2 GLN 36 -14.843 -0.440 5.415
243 H GLY 37 H GLY 37 -9.171 -4.230 7.436
244 1HA GLY 37 2HA GLY 37 -8.381 -6.502 7.844
245 2HA GLY 37 1HA GLY 37 -10.064 -7.001 7.907
246 H ASN 38 H ASN 38 -10.077 -4.866 5.480
247 HA ASN 38 HA ASN 38 -10.103 -6.940 3.498
248 1HB ASN 38 2HB ASN 38 -10.720 -5.171 1.907
249 2HB ASN 38 1HB ASN 38 -11.728 -5.130 3.347
250 1HD2 ASN 38 1HD2 ASN 38 -11.722 -3.365 4.633
251 2HD2 ASN 38 2HD2 ASN 38 -10.844 -1.913 4.268
252 H ALA 39 H ALA 39 -8.826 -7.053 1.637
253 HA ALA 39 HA ALA 39 -6.104 -6.040 2.058
254 1HB ALA 39 1HB ALA 39 -5.392 -7.833 0.544
255 2HB ALA 39 2HB ALA 39 -7.075 -8.320 0.337
256 3HB ALA 39 3HB ALA 39 -6.305 -8.461 1.917
257 H MET 40 H MET 40 -5.476 -4.380 0.900
258 HA MET 40 HA MET 40 -6.600 -4.035 -1.798
259 1HB MET 40 2HB MET 40 -6.049 -1.963 0.313
260 2HB MET 40 1HB MET 40 -6.161 -1.538 -1.391
261 1HG MET 40 2HG MET 40 -8.404 -2.532 -1.450
262 2HG MET 40 1HG MET 40 -8.295 -2.828 0.284
263 1HE MET 40 1HE MET 40 -7.026 -0.394 1.566
264 2HE MET 40 2HE MET 40 -8.581 -1.026 2.108
265 3HE MET 40 3HE MET 40 -8.387 0.702 1.817
266 H GLN 41 H GLN 41 -5.119 -2.446 -3.107
267 HA GLN 41 HA GLN 41 -2.301 -3.135 -2.595
268 1HB GLN 41 2HB GLN 41 -3.799 -3.632 -5.179
269 2HB GLN 41 1HB GLN 41 -2.050 -3.716 -5.021
270 1HG GLN 41 2HG GLN 41 -2.236 -5.557 -3.479
271 2HG GLN 41 1HG GLN 41 -3.995 -5.434 -3.497
272 1HE2 GLN 41 1HE2 GLN 41 -5.131 -6.161 -5.269
273 2HE2 GLN 41 2HE2 GLN 41 -4.413 -7.149 -6.496
274 H ILE 42 H ILE 42 -1.233 -1.242 -2.564
275 HA ILE 42 HA ILE 42 -2.128 0.957 -4.270
276 HB ILE 42 HB ILE 42 -0.476 2.347 -3.177
277 1HG1 ILE 42 2HG1 ILE 42 0.333 0.049 -1.411
278 2HG1 ILE 42 1HG1 ILE 42 1.171 0.373 -2.923
279 1HG2 ILE 42 1HG2 ILE 42 -1.320 2.294 -0.880
280 2HG2 ILE 42 2HG2 ILE 42 -2.005 0.694 -1.172
281 3HG2 ILE 42 3HG2 ILE 42 -2.615 2.092 -2.059
282 1HD1 ILE 42 1HD1 ILE 42 0.867 2.312 -0.650
283 2HD1 ILE 42 2HD1 ILE 42 1.749 2.592 -2.151
284 3HD1 ILE 42 3HD1 ILE 42 2.311 1.367 -1.011
285 H ASN 43 H ASN 43 -0.014 2.224 -5.172
286 HA ASN 43 HA ASN 43 1.205 0.250 -6.948
287 1HB ASN 43 2HB ASN 43 0.227 2.836 -7.342
288 2HB ASN 43 1HB ASN 43 1.977 2.984 -7.490
289 1HD2 ASN 43 1HD2 ASN 43 3.047 1.863 -9.142
290 2HD2 ASN 43 2HD2 ASN 43 2.205 1.182 -10.489
291 H ARG 44 H ARG 44 3.404 0.041 -7.270
292 HA ARG 44 HA ARG 44 5.110 0.211 -5.093
293 1HB ARG 44 2HB ARG 44 5.522 -1.253 -6.998
294 2HB ARG 44 1HB ARG 44 5.774 0.137 -8.041
295 1HG ARG 44 2HG ARG 44 7.875 -0.934 -7.410
296 2HG ARG 44 1HG ARG 44 7.780 0.727 -6.824
297 1HD ARG 44 2HD ARG 44 7.257 -0.028 -4.605
298 2HD ARG 44 1HD ARG 44 7.131 -1.698 -5.156
299 HE ARG 44 HE ARG 44 9.550 -1.596 -5.621
300 1HH1 ARG 44 1HH1 ARG 44 8.174 0.801 -3.477
301 2HH1 ARG 44 2HH1 ARG 44 9.644 1.039 -2.578
302 1HH2 ARG 44 1HH2 ARG 44 11.492 -1.301 -4.445
303 2HH2 ARG 44 2HH2 ARG 44 11.527 -0.171 -3.124
304 H ASP 45 H ASP 45 4.610 2.481 -7.727
305 HA ASP 45 HA ASP 45 6.751 4.241 -7.025
306 1HB ASP 45 2HB ASP 45 4.328 4.866 -8.723
307 2HB ASP 45 1HB ASP 45 5.877 5.695 -8.741
308 H ASP 46 H ASP 46 4.003 3.629 -5.375
309 HA ASP 46 HA ASP 46 3.519 6.458 -4.711
310 1HB ASP 46 2HB ASP 46 1.640 5.092 -5.752
311 2HB ASP 46 1HB ASP 46 1.598 4.176 -4.249
312 H VAL 47 H VAL 47 5.086 3.829 -3.589
313 HA VAL 47 HA VAL 47 4.306 3.967 -0.805
314 HB VAL 47 HB VAL 47 6.796 2.649 -1.869
315 1HG1 VAL 47 1HG1 VAL 47 6.598 2.840 0.558
316 2HG1 VAL 47 2HG1 VAL 47 6.487 1.157 0.044
317 3HG1 VAL 47 3HG1 VAL 47 5.029 2.038 0.498
318 1HG2 VAL 47 1HG2 VAL 47 4.010 1.501 -1.809
319 2HG2 VAL 47 2HG2 VAL 47 5.482 0.581 -2.119
320 3HG2 VAL 47 3HG2 VAL 47 4.977 1.843 -3.244
321 H SER 48 H SER 48 4.906 5.701 0.377
322 HA SER 48 HA SER 48 7.419 7.029 -0.363
323 1HB SER 48 2HB SER 48 5.424 8.402 -0.698
324 2HB SER 48 1HB SER 48 4.976 8.191 0.992
325 HG SER 48 HG SER 48 7.470 9.303 0.222
326 H GLN 49 H GLN 49 5.456 7.097 2.636
327 HA GLN 49 HA GLN 49 8.020 6.949 4.088
328 1HB GLN 49 2HB GLN 49 5.429 8.163 5.058
329 2HB GLN 49 1HB GLN 49 7.007 8.280 5.826
330 1HG GLN 49 2HG GLN 49 6.267 9.448 3.153
331 2HG GLN 49 1HG GLN 49 6.370 10.338 4.670
332 1HE2 GLN 49 1HE2 GLN 49 7.825 10.604 2.125
333 2HE2 GLN 49 2HE2 GLN 49 9.503 10.536 2.546
334 H ILE 50 H ILE 50 8.326 4.972 4.904
335 HA ILE 50 HA ILE 50 6.025 3.655 6.189
336 HB ILE 50 HB ILE 50 8.605 2.369 5.268
337 1HG1 ILE 50 2HG1 ILE 50 5.828 2.196 4.072
338 2HG1 ILE 50 1HG1 ILE 50 7.169 3.107 3.386
339 1HG2 ILE 50 1HG2 ILE 50 6.066 1.164 6.371
340 2HG2 ILE 50 2HG2 ILE 50 7.629 1.239 7.185
341 3HG2 ILE 50 3HG2 ILE 50 7.437 0.255 5.735
342 1HD1 ILE 50 1HD1 ILE 50 8.420 1.040 3.079
343 2HD1 ILE 50 2HD1 ILE 50 6.862 0.975 2.254
344 3HD1 ILE 50 3HD1 ILE 50 7.087 0.125 3.783
345 H ILE 51 H ILE 51 9.576 3.620 6.542
346 HA ILE 51 HA ILE 51 9.184 3.947 9.439
347 HB ILE 51 HB ILE 51 9.558 1.559 8.873
348 1HG1 ILE 51 2HG1 ILE 51 11.863 2.800 10.392
349 2HG1 ILE 51 1HG1 ILE 51 10.261 2.516 11.062
350 1HG2 ILE 51 1HG2 ILE 51 11.815 0.853 8.143
351 2HG2 ILE 51 2HG2 ILE 51 12.224 2.547 7.869
352 3HG2 ILE 51 3HG2 ILE 51 10.950 1.783 6.919
353 1HD1 ILE 51 1HD1 ILE 51 12.174 0.408 10.079
354 2HD1 ILE 51 2HD1 ILE 51 10.563 0.110 10.730
355 3HD1 ILE 51 3HD1 ILE 51 11.818 0.797 11.762
356 H GLU 52 H GLU 52 10.791 4.982 6.641
357 HA GLU 52 HA GLU 52 13.262 5.740 7.852
358 1HB GLU 52 2HB GLU 52 12.204 5.751 5.223
359 2HB GLU 52 1HB GLU 52 12.715 7.395 5.592
360 1HG GLU 52 2HG GLU 52 14.371 4.888 5.607
361 2HG GLU 52 1HG GLU 52 14.576 6.336 4.619
362 H ARG 53 H ARG 53 13.972 8.102 7.773
363 HA ARG 53 HA ARG 53 11.908 9.814 8.965
364 1HB ARG 53 2HB ARG 53 14.472 9.067 10.390
365 2HB ARG 53 1HB ARG 53 13.208 10.129 10.997
366 1HG ARG 53 2HG ARG 53 11.781 8.389 11.462
367 2HG ARG 53 1HG ARG 53 12.529 7.319 10.273
368 1HD ARG 53 2HD ARG 53 14.579 7.333 11.760
369 2HD ARG 53 1HD ARG 53 13.568 8.105 12.983
370 HE ARG 53 HE ARG 53 12.159 6.109 12.938
371 1HH1 ARG 53 1HH1 ARG 53 15.332 5.849 11.451
372 2HH1 ARG 53 2HH1 ARG 53 15.443 4.135 11.705
373 1HH2 ARG 53 1HH2 ARG 53 12.292 3.857 13.223
374 2HH2 ARG 53 2HH2 ARG 53 13.696 2.989 12.673
Start of MODEL 12
1 H ASP 4 H ASP 4 3.216 2.315 16.713
2 HA ASP 4 HA ASP 4 1.101 0.678 15.476
3 1HB ASP 4 2HB ASP 4 1.924 3.521 14.835
4 2HB ASP 4 1HB ASP 4 0.792 2.576 13.878
5 H TYR 5 H TYR 5 1.367 0.575 13.058
6 HA TYR 5 HA TYR 5 4.198 0.527 12.269
7 1HB TYR 5 2HB TYR 5 2.163 -1.460 11.978
8 2HB TYR 5 1HB TYR 5 2.586 -0.874 10.375
9 HD1 TYR 5 HD2 TYR 5 4.893 -1.145 9.526
10 HD2 TYR 5 HD1 TYR 5 3.697 -2.770 13.270
11 HE1 TYR 5 HE2 TYR 5 6.882 -2.592 9.524
12 HE2 TYR 5 HE1 TYR 5 5.679 -4.223 13.280
13 HH TYR 5 HH TYR 5 8.279 -3.821 11.063
14 H VAL 6 H VAL 6 1.096 0.606 10.533
15 HA VAL 6 HA VAL 6 0.049 2.157 9.277
16 HB VAL 6 HB VAL 6 1.254 3.710 11.178
17 1HG1 VAL 6 1HG1 VAL 6 2.057 4.878 8.515
18 2HG1 VAL 6 2HG1 VAL 6 3.154 4.263 9.750
19 3HG1 VAL 6 3HG1 VAL 6 2.169 5.689 10.078
20 1HG2 VAL 6 1HG2 VAL 6 -1.033 3.909 10.403
21 2HG2 VAL 6 2HG2 VAL 6 -0.478 4.628 8.891
22 3HG2 VAL 6 3HG2 VAL 6 -0.245 5.487 10.413
23 H MET 7 H MET 7 0.239 3.325 7.246
24 HA MET 7 HA MET 7 2.801 2.823 5.900
25 1HB MET 7 2HB MET 7 1.100 1.161 5.209
26 2HB MET 7 1HB MET 7 0.060 2.475 4.676
27 1HG MET 7 2HG MET 7 1.760 3.147 3.047
28 2HG MET 7 1HG MET 7 2.773 1.799 3.559
29 1HE MET 7 1HE MET 7 -0.486 2.928 1.770
30 2HE MET 7 2HE MET 7 -1.153 1.931 3.063
31 3HE MET 7 3HE MET 7 -1.272 1.397 1.386
32 H ALA 8 H ALA 8 3.593 4.832 5.826
33 HA ALA 8 HA ALA 8 2.020 7.128 5.158
34 1HB ALA 8 1HB ALA 8 5.017 6.746 5.138
35 2HB ALA 8 2HB ALA 8 4.056 7.357 6.485
36 3HB ALA 8 3HB ALA 8 4.180 8.292 4.994
37 H THR 9 H THR 9 1.699 8.046 3.177
38 HA THR 9 HA THR 9 2.756 6.533 0.866
39 HB THR 9 HB THR 9 0.073 7.675 0.566
40 HG1 THR 9 HG1 THR 9 0.665 6.146 2.740
41 1HG2 THR 9 1HG2 THR 9 1.153 6.196 -1.094
42 2HG2 THR 9 2HG2 THR 9 -0.380 5.551 -0.504
43 3HG2 THR 9 3HG2 THR 9 1.143 4.899 0.101
44 H LYS 10 H LYS 10 2.755 7.687 -1.136
45 HA LYS 10 HA LYS 10 3.997 10.189 -0.957
46 1HB LYS 10 2HB LYS 10 4.474 8.671 -2.760
47 2HB LYS 10 1HB LYS 10 2.799 8.692 -3.290
48 1HG LYS 10 2HG LYS 10 3.007 10.951 -4.051
49 2HG LYS 10 1HG LYS 10 4.621 11.089 -3.348
50 1HD LYS 10 2HD LYS 10 4.735 10.722 -5.761
51 2HD LYS 10 1HD LYS 10 5.436 9.367 -4.875
52 1HE LYS 10 2HE LYS 10 4.087 8.501 -6.669
53 2HE LYS 10 1HE LYS 10 3.290 8.145 -5.139
54 1HZ LYS 10 1HZ LYS 10 1.908 10.167 -5.533
55 2HZ LYS 10 2HZ LYS 10 1.645 8.917 -6.646
56 3HZ LYS 10 3HZ LYS 10 2.575 10.266 -7.087
57 H ASP 11 H ASP 11 0.681 9.341 -1.906
58 HA ASP 11 HA ASP 11 0.083 12.001 -2.797
59 1HB ASP 11 2HB ASP 11 -0.919 9.753 -3.597
60 2HB ASP 11 1HB ASP 11 -1.986 9.905 -2.206
61 H GLY 12 H GLY 12 0.903 11.664 0.032
62 1HA GLY 12 2HA GLY 12 0.506 12.937 1.895
63 2HA GLY 12 1HA GLY 12 -0.825 13.685 1.029
64 H ARG 13 H ARG 13 0.016 10.598 2.593
65 HA ARG 13 HA ARG 13 -2.235 10.816 4.338
66 1HB ARG 13 2HB ARG 13 -3.395 8.762 3.613
67 2HB ARG 13 1HB ARG 13 -3.437 10.009 2.374
68 1HG ARG 13 2HG ARG 13 -1.146 8.257 2.084
69 2HG ARG 13 1HG ARG 13 -2.674 7.377 2.037
70 1HD ARG 13 2HD ARG 13 -2.387 9.875 0.443
71 2HD ARG 13 1HD ARG 13 -1.631 8.394 -0.143
72 HE ARG 13 HE ARG 13 -3.949 7.403 0.105
73 1HH1 ARG 13 1HH1 ARG 13 -3.455 10.818 -0.560
74 2HH1 ARG 13 2HH1 ARG 13 -4.926 10.968 -1.462
75 1HH2 ARG 13 1HH2 ARG 13 -5.866 7.608 -1.051
76 2HH2 ARG 13 2HH2 ARG 13 -6.322 9.148 -1.719
77 H MET 14 H MET 14 -1.972 9.592 6.131
78 HA MET 14 HA MET 14 0.127 7.533 6.079
79 1HB MET 14 2HB MET 14 -0.935 9.193 8.376
80 2HB MET 14 1HB MET 14 0.088 7.783 8.604
81 1HG MET 14 2HG MET 14 1.482 9.686 8.734
82 2HG MET 14 1HG MET 14 1.812 8.906 7.190
83 1HE MET 14 1HE MET 14 3.038 11.044 6.251
84 2HE MET 14 2HE MET 14 2.798 11.824 7.814
85 3HE MET 14 3HE MET 14 2.361 12.672 6.330
86 H ILE 15 H ILE 15 -1.139 5.876 5.321
87 HA ILE 15 HA ILE 15 -3.832 5.516 6.220
88 HB ILE 15 HB ILE 15 -2.112 3.619 4.614
89 1HG1 ILE 15 2HG1 ILE 15 -4.037 5.767 3.694
90 2HG1 ILE 15 1HG1 ILE 15 -2.284 5.847 3.568
91 1HG2 ILE 15 1HG2 ILE 15 -5.107 3.834 4.882
92 2HG2 ILE 15 2HG2 ILE 15 -4.096 2.577 5.595
93 3HG2 ILE 15 3HG2 ILE 15 -4.237 2.706 3.841
94 1HD1 ILE 15 1HD1 ILE 15 -4.079 3.881 2.165
95 2HD1 ILE 15 2HD1 ILE 15 -2.319 3.917 2.058
96 3HD1 ILE 15 3HD1 ILE 15 -3.267 5.270 1.440
97 H LEU 16 H LEU 16 -4.467 4.525 8.005
98 HA LEU 16 HA LEU 16 -2.737 3.018 9.673
99 1HB LEU 16 2HB LEU 16 -5.717 3.436 9.618
100 2HB LEU 16 1HB LEU 16 -4.986 2.310 10.742
101 HG LEU 16 HG LEU 16 -5.397 4.393 11.869
102 1HD1 LEU 16 1HD1 LEU 16 -3.146 4.941 12.654
103 2HD1 LEU 16 2HD1 LEU 16 -2.461 4.057 11.292
104 3HD1 LEU 16 3HD1 LEU 16 -3.390 3.199 12.519
105 1HD2 LEU 16 1HD2 LEU 16 -4.354 6.490 11.187
106 2HD2 LEU 16 2HD2 LEU 16 -5.448 5.884 9.943
107 3HD2 LEU 16 3HD2 LEU 16 -3.705 5.704 9.749
108 H THR 17 H THR 17 -1.995 1.074 9.177
109 HA THR 17 HA THR 17 -3.675 -0.724 7.574
110 HB THR 17 HB THR 17 -1.582 -1.375 6.336
111 HG1 THR 17 HG1 THR 17 -0.550 1.060 7.407
112 1HG2 THR 17 1HG2 THR 17 -2.427 1.509 6.049
113 2HG2 THR 17 2HG2 THR 17 -3.228 0.120 5.314
114 3HG2 THR 17 3HG2 THR 17 -1.588 0.551 4.829
115 H ASP 18 H ASP 18 -3.231 -2.949 7.832
116 HA ASP 18 HA ASP 18 -1.877 -3.863 10.163
117 1HB ASP 18 2HB ASP 18 -3.609 -5.222 9.112
118 2HB ASP 18 1HB ASP 18 -2.687 -5.293 7.615
119 H GLY 19 H GLY 19 0.274 -3.737 10.421
120 1HA GLY 19 2HA GLY 19 1.772 -2.519 8.319
121 2HA GLY 19 1HA GLY 19 2.379 -2.931 9.914
122 H LYS 20 H LYS 20 2.353 -3.764 6.592
123 HA LYS 20 HA LYS 20 4.015 -5.815 6.348
124 1HB LYS 20 2HB LYS 20 1.908 -6.725 8.072
125 2HB LYS 20 1HB LYS 20 1.893 -7.656 6.577
126 1HG LYS 20 2HG LYS 20 4.156 -8.321 6.864
127 2HG LYS 20 1HG LYS 20 4.385 -7.187 8.194
128 1HD LYS 20 2HD LYS 20 2.632 -8.486 9.451
129 2HD LYS 20 1HD LYS 20 2.729 -9.697 8.169
130 1HE LYS 20 2HE LYS 20 4.154 -10.260 10.103
131 2HE LYS 20 1HE LYS 20 5.078 -10.039 8.617
132 1HZ LYS 20 1HZ LYS 20 5.742 -7.867 9.328
133 2HZ LYS 20 2HZ LYS 20 6.087 -8.954 10.581
134 3HZ LYS 20 3HZ LYS 20 4.732 -7.938 10.690
135 HA PRO 21 HA PRO 21 1.315 -5.186 2.669
136 1HB PRO 21 2HB PRO 21 3.154 -3.481 1.386
137 2HB PRO 21 1HB PRO 21 1.642 -3.005 2.161
138 1HG PRO 21 2HG PRO 21 4.235 -2.328 3.004
139 2HG PRO 21 1HG PRO 21 2.739 -2.115 3.924
140 1HD PRO 21 2HD PRO 21 4.801 -4.255 4.130
141 2HD PRO 21 1HD PRO 21 3.758 -3.562 5.392
142 H GLU 22 H GLU 22 1.658 -6.087 0.604
143 HA GLU 22 HA GLU 22 4.268 -7.411 0.247
144 1HB GLU 22 2HB GLU 22 1.687 -8.555 0.409
145 2HB GLU 22 1HB GLU 22 2.194 -8.693 -1.270
146 1HG GLU 22 2HG GLU 22 3.735 -9.666 1.126
147 2HG GLU 22 1HG GLU 22 2.798 -10.666 0.019
148 H ILE 23 H ILE 23 5.352 -6.364 -1.248
149 HA ILE 23 HA ILE 23 3.983 -5.082 -3.465
150 HB ILE 23 HB ILE 23 6.957 -5.248 -2.947
151 1HG1 ILE 23 2HG1 ILE 23 4.991 -3.073 -2.182
152 2HG1 ILE 23 1HG1 ILE 23 5.772 -4.184 -1.066
153 1HG2 ILE 23 1HG2 ILE 23 6.421 -4.700 -5.244
154 2HG2 ILE 23 2HG2 ILE 23 7.028 -3.260 -4.422
155 3HG2 ILE 23 3HG2 ILE 23 5.298 -3.446 -4.712
156 1HD1 ILE 23 1HD1 ILE 23 7.946 -3.246 -1.646
157 2HD1 ILE 23 2HD1 ILE 23 6.842 -2.008 -1.042
158 3HD1 ILE 23 3HD1 ILE 23 7.163 -2.135 -2.771
159 H ASP 24 H ASP 24 3.259 -6.567 -4.885
160 HA ASP 24 HA ASP 24 4.700 -8.926 -5.565
161 1HB ASP 24 2HB ASP 24 2.307 -7.574 -6.812
162 2HB ASP 24 1HB ASP 24 2.998 -9.061 -7.456
163 H ASP 25 H ASP 25 6.217 -9.251 -7.058
164 HA ASP 25 HA ASP 25 7.542 -6.904 -7.998
165 1HB ASP 25 2HB ASP 25 8.190 -9.823 -8.435
166 2HB ASP 25 1HB ASP 25 9.244 -8.479 -8.850
167 H ASP 26 H ASP 26 5.470 -9.303 -9.431
168 HA ASP 26 HA ASP 26 6.345 -8.871 -12.104
169 1HB ASP 26 2HB ASP 26 5.279 -10.971 -11.484
170 2HB ASP 26 1HB ASP 26 3.793 -10.116 -11.074
171 H THR 27 H THR 27 3.355 -7.887 -10.401
172 HA THR 27 HA THR 27 2.641 -6.158 -12.608
173 HB THR 27 HB THR 27 0.850 -7.358 -11.519
174 HG1 THR 27 HG1 THR 27 0.941 -4.641 -11.689
175 1HG2 THR 27 1HG2 THR 27 1.813 -7.587 -9.285
176 2HG2 THR 27 2HG2 THR 27 0.195 -6.893 -9.195
177 3HG2 THR 27 3HG2 THR 27 1.611 -5.858 -9.007
178 H GLY 28 H GLY 28 4.217 -5.858 -9.539
179 1HA GLY 28 2HA GLY 28 5.392 -4.052 -8.706
180 2HA GLY 28 1HA GLY 28 4.887 -3.128 -10.116
181 H LEU 29 H LEU 29 2.869 -4.789 -7.742
182 HA LEU 29 HA LEU 29 1.714 -2.175 -7.065
183 1HB LEU 29 2HB LEU 29 0.351 -4.869 -7.045
184 2HB LEU 29 1HB LEU 29 -0.394 -3.349 -6.593
185 HG LEU 29 HG LEU 29 0.561 -4.124 -9.352
186 1HD1 LEU 29 1HD1 LEU 29 -2.199 -3.672 -8.235
187 2HD1 LEU 29 2HD1 LEU 29 -1.502 -5.221 -8.707
188 3HD1 LEU 29 3HD1 LEU 29 -1.813 -3.986 -9.927
189 1HD2 LEU 29 1HD2 LEU 29 -0.758 -1.574 -8.431
190 2HD2 LEU 29 2HD2 LEU 29 -0.371 -2.005 -10.096
191 3HD2 LEU 29 3HD2 LEU 29 0.925 -1.741 -8.931
192 H VAL 30 H VAL 30 1.049 -1.832 -4.900
193 HA VAL 30 HA VAL 30 2.485 -3.541 -2.975
194 HB VAL 30 HB VAL 30 1.482 -0.716 -2.577
195 1HG1 VAL 30 1HG1 VAL 30 3.265 -2.436 -0.854
196 2HG1 VAL 30 2HG1 VAL 30 1.601 -1.973 -0.497
197 3HG1 VAL 30 3HG1 VAL 30 2.864 -0.743 -0.552
198 1HG2 VAL 30 1HG2 VAL 30 4.270 -1.719 -3.133
199 2HG2 VAL 30 2HG2 VAL 30 3.856 -0.067 -2.676
200 3HG2 VAL 30 3HG2 VAL 30 3.273 -0.730 -4.202
201 H SER 31 H SER 31 1.084 -5.070 -2.359
202 HA SER 31 HA SER 31 -1.705 -4.438 -1.887
203 1HB SER 31 2HB SER 31 -0.245 -7.058 -1.487
204 2HB SER 31 1HB SER 31 -1.990 -6.822 -1.578
205 HG SER 31 HG SER 31 -0.264 -7.212 -3.576
206 H TYR 32 H TYR 32 -2.138 -3.406 -0.027
207 HA TYR 32 HA TYR 32 -0.724 -4.290 2.406
208 1HB TYR 32 2HB TYR 32 -1.061 -2.142 3.360
209 2HB TYR 32 1HB TYR 32 -0.483 -1.867 1.724
210 HD1 TYR 32 HD1 TYR 32 -2.004 -0.955 0.012
211 HD2 TYR 32 HD2 TYR 32 -3.272 -1.489 4.036
212 HE1 TYR 32 HE1 TYR 32 -3.896 0.565 -0.383
213 HE2 TYR 32 HE2 TYR 32 -5.163 0.028 3.656
214 HH TYR 32 HH TYR 32 -6.221 0.941 0.654
215 H HIS 33 H HIS 33 -2.059 -4.014 4.445
216 HA HIS 33 HA HIS 33 -4.725 -5.137 3.921
217 1HB HIS 33 2HB HIS 33 -3.055 -5.328 6.436
218 2HB HIS 33 1HB HIS 33 -4.619 -6.089 6.177
219 HD1 HIS 33 HD1 HIS 33 -1.564 -7.306 6.663
220 HD2 HIS 33 HD2 HIS 33 -4.020 -7.532 3.299
221 HE1 HIS 33 HE1 HIS 33 -0.755 -9.302 5.359
222 HE2 HIS 33 HE2 HIS 33 -2.277 -9.450 3.349
223 H ASP 34 H ASP 34 -6.493 -4.154 4.643
224 HA ASP 34 HA ASP 34 -6.464 -1.451 5.460
225 1HB ASP 34 2HB ASP 34 -8.444 -3.456 4.829
226 2HB ASP 34 1HB ASP 34 -8.930 -2.558 6.260
227 H GLN 35 H GLN 35 -7.169 -0.526 7.434
228 HA GLN 35 HA GLN 35 -6.411 -1.727 9.862
229 1HB GLN 35 2HB GLN 35 -6.778 0.737 9.430
230 2HB GLN 35 1HB GLN 35 -8.507 0.425 9.490
231 1HG GLN 35 2HG GLN 35 -7.893 1.264 11.607
232 2HG GLN 35 1HG GLN 35 -8.164 -0.466 11.812
233 1HE2 GLN 35 1HE2 GLN 35 -6.584 1.416 13.401
234 2HE2 GLN 35 2HE2 GLN 35 -4.982 0.767 13.453
235 H GLN 36 H GLN 36 -9.296 -1.824 7.951
236 HA GLN 36 HA GLN 36 -11.005 -2.979 9.936
237 1HB GLN 36 2HB GLN 36 -11.312 -3.001 6.928
238 2HB GLN 36 1HB GLN 36 -12.575 -3.312 8.109
239 1HG GLN 36 2HG GLN 36 -12.422 -1.017 8.898
240 2HG GLN 36 1HG GLN 36 -11.134 -0.699 7.738
241 1HE2 GLN 36 1HE2 GLN 36 -13.728 0.578 8.006
242 2HE2 GLN 36 2HE2 GLN 36 -14.549 0.346 6.496
243 H GLY 37 H GLY 37 -8.627 -4.172 7.747
244 1HA GLY 37 2HA GLY 37 -7.764 -6.400 8.072
245 2HA GLY 37 1HA GLY 37 -9.397 -6.927 8.452
246 H ASN 38 H ASN 38 -9.019 -4.791 5.766
247 HA ASN 38 HA ASN 38 -9.582 -7.008 3.936
248 1HB ASN 38 2HB ASN 38 -9.564 -4.069 3.235
249 2HB ASN 38 1HB ASN 38 -10.290 -5.387 2.327
250 1HD2 ASN 38 1HD2 ASN 38 -10.750 -2.991 4.632
251 2HD2 ASN 38 2HD2 ASN 38 -12.357 -3.413 5.116
252 H ALA 39 H ALA 39 -8.568 -6.213 1.572
253 HA ALA 39 HA ALA 39 -5.763 -5.474 1.993
254 1HB ALA 39 1HB ALA 39 -4.983 -7.273 0.544
255 2HB ALA 39 2HB ALA 39 -6.633 -7.878 0.389
256 3HB ALA 39 3HB ALA 39 -5.819 -7.926 1.955
257 H MET 40 H MET 40 -5.112 -3.997 0.545
258 HA MET 40 HA MET 40 -6.622 -3.762 -1.984
259 1HB MET 40 2HB MET 40 -5.338 -1.492 -0.457
260 2HB MET 40 1HB MET 40 -6.202 -1.356 -1.976
261 1HG MET 40 2HG MET 40 -8.246 -2.168 -0.762
262 2HG MET 40 1HG MET 40 -7.325 -1.979 0.734
263 1HE MET 40 1HE MET 40 -9.350 1.212 1.237
264 2HE MET 40 2HE MET 40 -8.476 -0.101 2.026
265 3HE MET 40 3HE MET 40 -9.816 -0.464 0.939
266 H GLN 41 H GLN 41 -5.393 -2.885 -3.781
267 HA GLN 41 HA GLN 41 -2.486 -3.327 -3.515
268 1HB GLN 41 2HB GLN 41 -4.284 -3.720 -5.920
269 2HB GLN 41 1HB GLN 41 -2.531 -3.832 -5.968
270 1HG GLN 41 2HG GLN 41 -2.561 -5.731 -4.496
271 2HG GLN 41 1HG GLN 41 -4.306 -5.580 -4.282
272 1HE2 GLN 41 1HE2 GLN 41 -5.678 -6.217 -5.938
273 2HE2 GLN 41 2HE2 GLN 41 -5.130 -7.182 -7.268
274 H ILE 42 H ILE 42 -1.551 -1.352 -3.360
275 HA ILE 42 HA ILE 42 -2.635 0.824 -5.010
276 HB ILE 42 HB ILE 42 -1.431 2.385 -3.656
277 1HG1 ILE 42 2HG1 ILE 42 -0.339 0.244 -1.867
278 2HG1 ILE 42 1HG1 ILE 42 0.519 0.641 -3.354
279 1HG2 ILE 42 1HG2 ILE 42 -3.556 1.651 -2.745
280 2HG2 ILE 42 2HG2 ILE 42 -2.418 1.982 -1.438
281 3HG2 ILE 42 3HG2 ILE 42 -2.760 0.318 -1.908
282 1HD1 ILE 42 1HD1 ILE 42 1.381 1.852 -1.404
283 2HD1 ILE 42 2HD1 ILE 42 -0.197 2.612 -1.196
284 3HD1 ILE 42 3HD1 ILE 42 0.753 2.933 -2.649
285 H ASN 43 H ASN 43 -0.681 2.440 -5.558
286 HA ASN 43 HA ASN 43 0.902 0.972 -7.460
287 1HB ASN 43 2HB ASN 43 0.686 3.903 -6.799
288 2HB ASN 43 1HB ASN 43 1.821 3.284 -7.988
289 1HD2 ASN 43 1HD2 ASN 43 0.951 4.173 -9.778
290 2HD2 ASN 43 2HD2 ASN 43 -0.640 3.817 -10.368
291 H ARG 44 H ARG 44 3.058 0.629 -7.477
292 HA ARG 44 HA ARG 44 4.495 0.382 -5.091
293 1HB ARG 44 2HB ARG 44 5.081 -0.881 -7.076
294 2HB ARG 44 1HB ARG 44 5.458 0.592 -7.954
295 1HG ARG 44 2HG ARG 44 7.187 0.917 -5.993
296 2HG ARG 44 1HG ARG 44 7.032 -0.837 -5.884
297 1HD ARG 44 2HD ARG 44 8.871 -0.256 -7.357
298 2HD ARG 44 1HD ARG 44 7.571 -1.015 -8.276
299 HE ARG 44 HE ARG 44 7.506 1.878 -8.212
300 1HH1 ARG 44 1HH1 ARG 44 8.599 -0.961 -9.937
301 2HH1 ARG 44 2HH1 ARG 44 8.774 -0.130 -11.452
302 1HH2 ARG 44 1HH2 ARG 44 7.726 2.980 -10.191
303 2HH2 ARG 44 2HH2 ARG 44 8.294 2.109 -11.591
304 H ASP 45 H ASP 45 4.465 2.948 -7.507
305 HA ASP 45 HA ASP 45 6.622 4.426 -6.348
306 1HB ASP 45 2HB ASP 45 4.518 5.504 -8.230
307 2HB ASP 45 1HB ASP 45 6.173 6.066 -8.020
308 H ASP 46 H ASP 46 3.312 4.107 -5.651
309 HA ASP 46 HA ASP 46 2.974 6.800 -4.664
310 1HB ASP 46 2HB ASP 46 1.140 5.592 -5.834
311 2HB ASP 46 1HB ASP 46 1.057 4.474 -4.477
312 H VAL 47 H VAL 47 3.496 3.587 -3.332
313 HA VAL 47 HA VAL 47 2.988 4.288 -0.635
314 HB VAL 47 HB VAL 47 3.177 1.933 -1.460
315 1HG1 VAL 47 1HG1 VAL 47 5.397 0.925 -1.642
316 2HG1 VAL 47 2HG1 VAL 47 6.122 2.525 -1.475
317 3HG1 VAL 47 3HG1 VAL 47 5.114 2.154 -2.873
318 1HG2 VAL 47 1HG2 VAL 47 4.300 1.054 0.526
319 2HG2 VAL 47 2HG2 VAL 47 3.241 2.408 0.921
320 3HG2 VAL 47 3HG2 VAL 47 4.986 2.649 0.840
321 H SER 48 H SER 48 4.426 4.974 1.004
322 HA SER 48 HA SER 48 6.868 6.221 -0.064
323 1HB SER 48 2HB SER 48 5.121 7.883 0.359
324 2HB SER 48 1HB SER 48 4.970 7.326 2.024
325 HG SER 48 HG SER 48 6.586 9.184 1.101
326 H GLN 49 H GLN 49 5.479 5.558 3.191
327 HA GLN 49 HA GLN 49 8.095 4.414 3.918
328 1HB GLN 49 2HB GLN 49 6.481 6.369 5.563
329 2HB GLN 49 1HB GLN 49 7.867 5.474 6.163
330 1HG GLN 49 2HG GLN 49 9.275 6.582 4.470
331 2HG GLN 49 1HG GLN 49 7.872 7.533 3.973
332 1HE2 GLN 49 1HE2 GLN 49 10.255 7.010 6.437
333 2HE2 GLN 49 2HE2 GLN 49 9.908 8.430 7.370
334 H ILE 50 H ILE 50 8.084 2.790 5.424
335 HA ILE 50 HA ILE 50 5.451 1.730 6.217
336 HB ILE 50 HB ILE 50 8.139 0.331 6.310
337 1HG1 ILE 50 2HG1 ILE 50 7.541 0.810 3.990
338 2HG1 ILE 50 1HG1 ILE 50 7.375 -0.911 4.317
339 1HG2 ILE 50 1HG2 ILE 50 6.533 -0.577 7.886
340 2HG2 ILE 50 2HG2 ILE 50 6.802 -1.714 6.567
341 3HG2 ILE 50 3HG2 ILE 50 5.334 -0.737 6.605
342 1HD1 ILE 50 1HD1 ILE 50 4.963 -0.647 4.516
343 2HD1 ILE 50 2HD1 ILE 50 5.545 -0.078 2.950
344 3HD1 ILE 50 3HD1 ILE 50 5.121 1.082 4.210
345 H ILE 51 H ILE 51 8.217 3.347 7.239
346 HA ILE 51 HA ILE 51 9.027 4.112 9.199
347 HB ILE 51 HB ILE 51 6.278 3.589 10.345
348 1HG1 ILE 51 2HG1 ILE 51 7.281 5.945 8.724
349 2HG1 ILE 51 1HG1 ILE 51 6.038 4.798 8.234
350 1HG2 ILE 51 1HG2 ILE 51 6.820 5.566 11.738
351 2HG2 ILE 51 2HG2 ILE 51 8.435 5.595 11.028
352 3HG2 ILE 51 3HG2 ILE 51 7.926 4.219 12.006
353 1HD1 ILE 51 1HD1 ILE 51 5.834 6.709 10.553
354 2HD1 ILE 51 2HD1 ILE 51 4.586 5.591 10.005
355 3HD1 ILE 51 3HD1 ILE 51 5.091 6.923 8.967
356 H GLU 52 H GLU 52 9.742 1.594 8.712
357 HA GLU 52 HA GLU 52 9.301 -0.176 10.892
358 1HB GLU 52 2HB GLU 52 10.045 -0.983 8.700
359 2HB GLU 52 1HB GLU 52 11.539 -0.070 8.851
360 1HG GLU 52 2HG GLU 52 11.856 -2.449 9.302
361 2HG GLU 52 1HG GLU 52 12.236 -1.451 10.704
362 H ARG 53 H ARG 53 9.866 0.372 12.890
363 HA ARG 53 HA ARG 53 11.838 2.330 13.456
364 1HB ARG 53 2HB ARG 53 11.439 1.489 15.876
365 2HB ARG 53 1HB ARG 53 10.146 2.317 15.029
366 1HG ARG 53 2HG ARG 53 9.152 0.493 16.134
367 2HG ARG 53 1HG ARG 53 9.231 0.041 14.433
368 1HD ARG 53 2HD ARG 53 11.631 -0.827 15.656
369 2HD ARG 53 1HD ARG 53 10.299 -1.313 16.706
370 HE ARG 53 HE ARG 53 10.110 -1.917 13.839
371 1HH1 ARG 53 1HH1 ARG 53 10.656 -3.044 17.104
372 2HH1 ARG 53 2HH1 ARG 53 10.335 -4.708 16.732
373 1HH2 ARG 53 1HH2 ARG 53 9.690 -4.078 13.323
374 2HH2 ARG 53 2HH2 ARG 53 9.771 -5.304 14.559
Start of MODEL 13
1 H ASP 4 H ASP 4 5.282 -4.510 12.868
2 HA ASP 4 HA ASP 4 5.652 -1.643 12.573
3 1HB ASP 4 2HB ASP 4 6.918 -2.286 10.498
4 2HB ASP 4 1HB ASP 4 7.582 -2.927 11.993
5 H TYR 5 H TYR 5 3.796 -0.712 12.108
6 HA TYR 5 HA TYR 5 2.366 -1.604 9.709
7 1HB TYR 5 2HB TYR 5 0.244 -0.840 10.898
8 2HB TYR 5 1HB TYR 5 0.958 -2.348 11.452
9 HD1 TYR 5 HD2 TYR 5 1.917 1.165 12.323
10 HD2 TYR 5 HD1 TYR 5 0.284 -2.529 13.666
11 HE1 TYR 5 HE2 TYR 5 1.909 2.017 14.623
12 HE2 TYR 5 HE1 TYR 5 0.277 -1.685 15.978
13 HH TYR 5 HH TYR 5 0.803 1.619 16.726
14 H VAL 6 H VAL 6 0.511 0.324 9.458
15 HA VAL 6 HA VAL 6 0.079 2.464 8.842
16 HB VAL 6 HB VAL 6 2.535 3.160 10.458
17 1HG1 VAL 6 1HG1 VAL 6 1.814 5.480 10.298
18 2HG1 VAL 6 2HG1 VAL 6 0.478 5.007 9.249
19 3HG1 VAL 6 3HG1 VAL 6 2.142 4.822 8.693
20 1HG2 VAL 6 1HG2 VAL 6 -0.414 3.430 11.041
21 2HG2 VAL 6 2HG2 VAL 6 0.884 4.047 12.062
22 3HG2 VAL 6 3HG2 VAL 6 0.710 2.309 11.812
23 H MET 7 H MET 7 0.269 3.032 6.807
24 HA MET 7 HA MET 7 2.951 3.000 5.594
25 1HB MET 7 2HB MET 7 1.594 1.111 4.804
26 2HB MET 7 1HB MET 7 0.332 2.223 4.296
27 1HG MET 7 2HG MET 7 1.839 3.201 2.656
28 2HG MET 7 1HG MET 7 3.127 2.124 3.190
29 1HE MET 7 1HE MET 7 -0.388 2.352 1.436
30 2HE MET 7 2HE MET 7 -0.700 1.254 2.780
31 3HE MET 7 3HE MET 7 -0.733 0.651 1.122
32 H ALA 8 H ALA 8 3.521 5.052 5.320
33 HA ALA 8 HA ALA 8 1.553 7.076 4.645
34 1HB ALA 8 1HB ALA 8 3.318 7.620 6.252
35 2HB ALA 8 2HB ALA 8 3.400 8.658 4.830
36 3HB ALA 8 3HB ALA 8 4.539 7.324 5.013
37 H THR 9 H THR 9 1.126 7.739 2.632
38 HA THR 9 HA THR 9 2.887 6.716 0.502
39 HB THR 9 HB THR 9 0.803 6.626 -0.913
40 HG1 THR 9 HG1 THR 9 -0.654 6.450 1.475
41 1HG2 THR 9 1HG2 THR 9 1.811 4.606 -0.024
42 2HG2 THR 9 2HG2 THR 9 0.052 4.483 0.053
43 3HG2 THR 9 3HG2 THR 9 0.976 4.841 1.512
44 H LYS 10 H LYS 10 2.037 7.792 -1.673
45 HA LYS 10 HA LYS 10 3.223 10.040 -2.251
46 1HB LYS 10 2HB LYS 10 1.915 8.776 -3.850
47 2HB LYS 10 1HB LYS 10 0.422 9.363 -3.130
48 1HG LYS 10 2HG LYS 10 0.876 11.595 -3.870
49 2HG LYS 10 1HG LYS 10 2.479 11.126 -4.445
50 1HD LYS 10 2HD LYS 10 0.901 11.287 -6.295
51 2HD LYS 10 1HD LYS 10 1.439 9.619 -6.075
52 1HE LYS 10 2HE LYS 10 -0.640 9.238 -4.716
53 2HE LYS 10 1HE LYS 10 -1.181 10.838 -5.221
54 1HZ LYS 10 1HZ LYS 10 -2.129 9.159 -6.636
55 2HZ LYS 10 2HZ LYS 10 -0.594 8.532 -6.996
56 3HZ LYS 10 3HZ LYS 10 -1.025 10.082 -7.535
57 H ASP 11 H ASP 11 -0.171 10.225 -1.131
58 HA ASP 11 HA ASP 11 -0.144 13.086 -1.299
59 1HB ASP 11 2HB ASP 11 -2.250 11.316 -0.052
60 2HB ASP 11 1HB ASP 11 -2.451 12.982 -0.572
61 H GLY 12 H GLY 12 1.347 11.294 0.896
62 1HA GLY 12 2HA GLY 12 2.055 11.694 3.057
63 2HA GLY 12 1HA GLY 12 1.265 13.266 2.958
64 H ARG 13 H ARG 13 -0.381 10.279 2.345
65 HA ARG 13 HA ARG 13 -2.171 10.866 4.575
66 1HB ARG 13 2HB ARG 13 -3.720 9.296 3.453
67 2HB ARG 13 1HB ARG 13 -3.243 10.624 2.406
68 1HG ARG 13 2HG ARG 13 -1.409 8.923 1.620
69 2HG ARG 13 1HG ARG 13 -2.552 7.740 2.250
70 1HD ARG 13 2HD ARG 13 -3.205 9.855 0.205
71 2HD ARG 13 1HD ARG 13 -2.838 8.175 -0.163
72 HE ARG 13 HE ARG 13 -4.926 8.103 1.634
73 1HH1 ARG 13 1HH1 ARG 13 -4.324 9.505 -1.524
74 2HH1 ARG 13 2HH1 ARG 13 -5.973 9.331 -2.063
75 1HH2 ARG 13 1HH2 ARG 13 -7.100 7.856 0.930
76 2HH2 ARG 13 2HH2 ARG 13 -7.556 8.415 -0.655
77 H MET 14 H MET 14 -2.264 9.624 6.320
78 HA MET 14 HA MET 14 -0.324 7.484 6.575
79 1HB MET 14 2HB MET 14 -2.213 8.594 8.663
80 2HB MET 14 1HB MET 14 -0.801 7.588 8.950
81 1HG MET 14 2HG MET 14 -0.728 10.367 7.800
82 2HG MET 14 1HG MET 14 -0.438 9.961 9.489
83 1HE MET 14 1HE MET 14 1.700 8.831 10.408
84 2HE MET 14 2HE MET 14 2.889 8.009 9.402
85 3HE MET 14 3HE MET 14 1.240 7.389 9.502
86 H ILE 15 H ILE 15 -1.147 5.721 5.493
87 HA ILE 15 HA ILE 15 -3.887 4.907 5.874
88 HB ILE 15 HB ILE 15 -1.617 3.434 4.523
89 1HG1 ILE 15 2HG1 ILE 15 -3.824 5.161 3.367
90 2HG1 ILE 15 1HG1 ILE 15 -2.119 5.588 3.453
91 1HG2 ILE 15 1HG2 ILE 15 -4.598 2.958 4.408
92 2HG2 ILE 15 2HG2 ILE 15 -3.417 1.940 5.232
93 3HG2 ILE 15 3HG2 ILE 15 -3.375 2.093 3.476
94 1HD1 ILE 15 1HD1 ILE 15 -2.748 4.874 1.221
95 2HD1 ILE 15 2HD1 ILE 15 -3.287 3.320 1.857
96 3HD1 ILE 15 3HD1 ILE 15 -1.582 3.762 1.937
97 H LEU 16 H LEU 16 -4.496 4.023 7.715
98 HA LEU 16 HA LEU 16 -2.644 2.702 9.458
99 1HB LEU 16 2HB LEU 16 -5.632 3.074 9.630
100 2HB LEU 16 1HB LEU 16 -4.668 2.294 10.871
101 HG LEU 16 HG LEU 16 -4.459 5.175 9.994
102 1HD1 LEU 16 1HD1 LEU 16 -5.401 3.929 12.573
103 2HD1 LEU 16 2HD1 LEU 16 -6.417 4.705 11.358
104 3HD1 LEU 16 3HD1 LEU 16 -5.236 5.656 12.259
105 1HD2 LEU 16 1HD2 LEU 16 -2.816 5.415 11.783
106 2HD2 LEU 16 2HD2 LEU 16 -2.264 4.261 10.570
107 3HD2 LEU 16 3HD2 LEU 16 -2.904 3.683 12.109
108 H THR 17 H THR 17 -1.903 0.904 8.534
109 HA THR 17 HA THR 17 -3.770 -1.103 7.537
110 HB THR 17 HB THR 17 -1.589 -2.262 6.863
111 HG1 THR 17 HG1 THR 17 -0.096 -0.059 6.758
112 1HG2 THR 17 1HG2 THR 17 -1.230 -0.776 4.920
113 2HG2 THR 17 2HG2 THR 17 -2.202 0.466 5.710
114 3HG2 THR 17 3HG2 THR 17 -2.944 -1.060 5.231
115 H ASP 18 H ASP 18 -3.574 -3.324 8.257
116 HA ASP 18 HA ASP 18 -3.114 -3.792 11.001
117 1HB ASP 18 2HB ASP 18 -4.441 -5.310 9.552
118 2HB ASP 18 1HB ASP 18 -2.973 -5.755 8.687
119 H GLY 19 H GLY 19 -1.145 -4.270 8.130
120 1HA GLY 19 2HA GLY 19 1.038 -2.948 8.646
121 2HA GLY 19 1HA GLY 19 1.296 -4.294 9.751
122 H LYS 20 H LYS 20 3.134 -3.816 7.613
123 HA LYS 20 HA LYS 20 4.330 -5.309 6.421
124 1HB LYS 20 2HB LYS 20 2.352 -7.254 7.578
125 2HB LYS 20 1HB LYS 20 3.737 -7.743 6.601
126 1HG LYS 20 2HG LYS 20 5.205 -6.525 8.196
127 2HG LYS 20 1HG LYS 20 3.792 -6.243 9.205
128 1HD LYS 20 2HD LYS 20 3.507 -8.614 9.540
129 2HD LYS 20 1HD LYS 20 4.839 -8.961 8.431
130 1HE LYS 20 2HE LYS 20 6.366 -7.735 9.909
131 2HE LYS 20 1HE LYS 20 5.034 -7.430 11.018
132 1HZ LYS 20 1HZ LYS 20 6.457 -9.286 11.691
133 2HZ LYS 20 2HZ LYS 20 6.030 -10.127 10.287
134 3HZ LYS 20 3HZ LYS 20 4.848 -9.757 11.452
135 HA PRO 21 HA PRO 21 1.572 -5.111 2.796
136 1HB PRO 21 2HB PRO 21 2.913 -3.257 1.415
137 2HB PRO 21 1HB PRO 21 1.817 -2.814 2.728
138 1HG PRO 21 2HG PRO 21 4.799 -2.961 2.717
139 2HG PRO 21 1HG PRO 21 3.734 -1.776 3.495
140 1HD PRO 21 2HD PRO 21 4.929 -3.932 4.770
141 2HD PRO 21 1HD PRO 21 3.507 -3.053 5.364
142 H GLU 22 H GLU 22 1.856 -6.180 0.905
143 HA GLU 22 HA GLU 22 4.465 -7.439 0.463
144 1HB GLU 22 2HB GLU 22 2.596 -8.986 0.641
145 2HB GLU 22 1HB GLU 22 1.709 -8.099 -0.591
146 1HG GLU 22 2HG GLU 22 3.593 -8.659 -2.172
147 2HG GLU 22 1HG GLU 22 4.181 -9.767 -0.935
148 H ILE 23 H ILE 23 5.726 -6.311 -0.902
149 HA ILE 23 HA ILE 23 4.557 -4.796 -3.069
150 HB ILE 23 HB ILE 23 7.475 -5.379 -2.543
151 1HG1 ILE 23 2HG1 ILE 23 5.742 -3.042 -1.708
152 2HG1 ILE 23 1HG1 ILE 23 6.479 -4.227 -0.640
153 1HG2 ILE 23 1HG2 ILE 23 7.867 -3.432 -3.984
154 2HG2 ILE 23 2HG2 ILE 23 6.129 -3.288 -4.253
155 3HG2 ILE 23 3HG2 ILE 23 7.000 -4.708 -4.838
156 1HD1 ILE 23 1HD1 ILE 23 8.695 -3.423 -1.294
157 2HD1 ILE 23 2HD1 ILE 23 7.706 -2.152 -0.578
158 3HD1 ILE 23 3HD1 ILE 23 7.938 -2.208 -2.326
159 H ASP 24 H ASP 24 3.703 -5.982 -4.639
160 HA ASP 24 HA ASP 24 4.568 -8.621 -5.234
161 1HB ASP 24 2HB ASP 24 2.263 -8.124 -5.542
162 2HB ASP 24 1HB ASP 24 2.624 -6.756 -6.591
163 H ASP 25 H ASP 25 5.592 -9.436 -6.977
164 HA ASP 25 HA ASP 25 7.480 -7.648 -8.271
165 1HB ASP 25 2HB ASP 25 8.390 -9.622 -7.236
166 2HB ASP 25 1HB ASP 25 7.260 -10.657 -8.097
167 H ASP 26 H ASP 26 4.602 -9.391 -9.013
168 HA ASP 26 HA ASP 26 5.069 -9.748 -11.806
169 1HB ASP 26 2HB ASP 26 3.451 -11.144 -10.619
170 2HB ASP 26 1HB ASP 26 2.479 -9.724 -10.241
171 H THR 27 H THR 27 2.777 -7.573 -10.125
172 HA THR 27 HA THR 27 2.892 -5.849 -12.517
173 HB THR 27 HB THR 27 0.669 -6.694 -12.179
174 HG1 THR 27 HG1 THR 27 1.122 -3.974 -11.605
175 1HG2 THR 27 1HG2 THR 27 0.818 -5.541 -9.399
176 2HG2 THR 27 2HG2 THR 27 0.781 -7.253 -9.819
177 3HG2 THR 27 3HG2 THR 27 -0.619 -6.236 -10.149
178 H GLY 28 H GLY 28 3.989 -6.020 -9.391
179 1HA GLY 28 2HA GLY 28 5.310 -4.490 -8.284
180 2HA GLY 28 1HA GLY 28 4.990 -3.343 -9.578
181 H LEU 29 H LEU 29 2.417 -4.916 -7.836
182 HA LEU 29 HA LEU 29 1.674 -2.304 -6.775
183 1HB LEU 29 2HB LEU 29 0.016 -4.817 -6.990
184 2HB LEU 29 1HB LEU 29 -0.557 -3.262 -6.415
185 HG LEU 29 HG LEU 29 0.302 -3.961 -9.221
186 1HD1 LEU 29 1HD1 LEU 29 -2.009 -3.345 -9.766
187 2HD1 LEU 29 2HD1 LEU 29 -2.337 -3.100 -8.051
188 3HD1 LEU 29 3HD1 LEU 29 -1.926 -4.708 -8.651
189 1HD2 LEU 29 1HD2 LEU 29 1.097 -1.725 -8.687
190 2HD2 LEU 29 2HD2 LEU 29 -0.507 -1.280 -8.104
191 3HD2 LEU 29 3HD2 LEU 29 -0.259 -1.655 -9.811
192 H VAL 30 H VAL 30 1.312 -1.952 -4.620
193 HA VAL 30 HA VAL 30 2.612 -3.870 -2.847
194 HB VAL 30 HB VAL 30 1.708 -1.044 -2.268
195 1HG1 VAL 30 1HG1 VAL 30 3.156 -1.204 -0.311
196 2HG1 VAL 30 2HG1 VAL 30 3.521 -2.881 -0.715
197 3HG1 VAL 30 3HG1 VAL 30 1.880 -2.420 -0.266
198 1HG2 VAL 30 1HG2 VAL 30 3.427 -1.075 -3.985
199 2HG2 VAL 30 2HG2 VAL 30 4.444 -2.097 -2.967
200 3HG2 VAL 30 3HG2 VAL 30 4.074 -0.445 -2.469
201 H SER 31 H SER 31 1.222 -5.411 -2.298
202 HA SER 31 HA SER 31 -1.563 -4.968 -1.791
203 1HB SER 31 2HB SER 31 0.035 -7.397 -0.996
204 2HB SER 31 1HB SER 31 -1.668 -7.315 -1.430
205 HG SER 31 HG SER 31 0.222 -7.984 -3.019
206 H TYR 32 H TYR 32 -2.305 -4.058 0.038
207 HA TYR 32 HA TYR 32 -0.825 -4.609 2.516
208 1HB TYR 32 2HB TYR 32 -1.391 -2.378 3.324
209 2HB TYR 32 1HB TYR 32 -0.499 -2.278 1.812
210 HD1 TYR 32 HD1 TYR 32 -1.739 -1.746 -0.302
211 HD2 TYR 32 HD2 TYR 32 -3.564 -1.488 3.526
212 HE1 TYR 32 HE1 TYR 32 -3.512 -0.333 -1.248
213 HE2 TYR 32 HE2 TYR 32 -5.339 -0.072 2.594
214 HH TYR 32 HH TYR 32 -5.819 1.308 0.768
215 H HIS 33 H HIS 33 -2.283 -4.015 4.474
216 HA HIS 33 HA HIS 33 -4.961 -5.153 4.023
217 1HB HIS 33 2HB HIS 33 -3.203 -5.735 6.419
218 2HB HIS 33 1HB HIS 33 -4.775 -6.441 6.068
219 HD1 HIS 33 HD1 HIS 33 -1.223 -7.026 5.679
220 HD2 HIS 33 HD2 HIS 33 -4.686 -8.183 3.693
221 HE1 HIS 33 HE1 HIS 33 -0.571 -9.015 4.296
222 HE2 HIS 33 HE2 HIS 33 -2.734 -9.837 3.291
223 H ASP 34 H ASP 34 -6.314 -3.488 4.445
224 HA ASP 34 HA ASP 34 -5.839 -1.394 6.271
225 1HB ASP 34 2HB ASP 34 -8.307 -2.541 5.019
226 2HB ASP 34 1HB ASP 34 -8.472 -1.385 6.332
227 H GLN 35 H GLN 35 -6.595 -1.087 8.407
228 HA GLN 35 HA GLN 35 -6.670 -3.330 10.111
229 1HB GLN 35 2HB GLN 35 -7.622 -1.710 11.796
230 2HB GLN 35 1HB GLN 35 -6.097 -1.224 11.074
231 1HG GLN 35 2HG GLN 35 -7.142 0.399 9.718
232 2HG GLN 35 1HG GLN 35 -8.746 -0.248 10.051
233 1HE2 GLN 35 1HE2 GLN 35 -9.758 0.246 11.962
234 2HE2 GLN 35 2HE2 GLN 35 -9.194 1.490 13.031
235 H GLN 36 H GLN 36 -9.023 -1.947 8.085
236 HA GLN 36 HA GLN 36 -11.313 -2.962 9.530
237 1HB GLN 36 2HB GLN 36 -11.218 -1.835 6.729
238 2HB GLN 36 1HB GLN 36 -12.633 -2.007 7.759
239 1HG GLN 36 2HG GLN 36 -10.305 -0.149 8.198
240 2HG GLN 36 1HG GLN 36 -11.934 0.297 7.689
241 1HE2 GLN 36 1HE2 GLN 36 -13.583 0.351 9.188
242 2HE2 GLN 36 2HE2 GLN 36 -13.297 0.264 10.893
243 H GLY 37 H GLY 37 -8.998 -4.427 7.751
244 1HA GLY 37 2HA GLY 37 -9.002 -6.726 7.247
245 2HA GLY 37 1HA GLY 37 -10.756 -6.691 7.183
246 H ASN 38 H ASN 38 -9.306 -4.152 5.462
247 HA ASN 38 HA ASN 38 -10.254 -5.282 2.979
248 1HB ASN 38 2HB ASN 38 -8.967 -2.618 3.603
249 2HB ASN 38 1HB ASN 38 -9.549 -3.084 2.010
250 1HD2 ASN 38 1HD2 ASN 38 -10.344 -0.920 3.857
251 2HD2 ASN 38 2HD2 ASN 38 -12.060 -1.121 4.062
252 H ALA 39 H ALA 39 -9.028 -6.666 1.902
253 HA ALA 39 HA ALA 39 -6.123 -6.325 1.877
254 1HB ALA 39 1HB ALA 39 -6.983 -8.572 2.318
255 2HB ALA 39 2HB ALA 39 -6.063 -8.525 0.814
256 3HB ALA 39 3HB ALA 39 -7.826 -8.555 0.768
257 H MET 40 H MET 40 -5.438 -4.888 0.411
258 HA MET 40 HA MET 40 -6.102 -5.269 -2.365
259 1HB MET 40 2HB MET 40 -6.809 -2.867 -2.689
260 2HB MET 40 1HB MET 40 -7.986 -3.911 -1.909
261 1HG MET 40 2HG MET 40 -7.186 -3.001 0.284
262 2HG MET 40 1HG MET 40 -6.246 -1.824 -0.633
263 1HE MET 40 1HE MET 40 -9.305 0.242 0.799
264 2HE MET 40 2HE MET 40 -7.549 0.109 0.753
265 3HE MET 40 3HE MET 40 -8.503 -1.119 1.587
266 H GLN 41 H GLN 41 -5.056 -3.105 -3.562
267 HA GLN 41 HA GLN 41 -2.313 -3.108 -2.463
268 1HB GLN 41 2HB GLN 41 -3.057 -3.489 -5.370
269 2HB GLN 41 1HB GLN 41 -1.430 -3.454 -4.706
270 1HG GLN 41 2HG GLN 41 -1.586 -5.669 -4.647
271 2HG GLN 41 1HG GLN 41 -2.617 -5.432 -3.241
272 1HE2 GLN 41 1HE2 GLN 41 -4.738 -4.242 -4.941
273 2HE2 GLN 41 2HE2 GLN 41 -5.499 -5.588 -5.719
274 H ILE 42 H ILE 42 -0.957 -1.346 -3.136
275 HA ILE 42 HA ILE 42 -2.300 0.754 -4.715
276 HB ILE 42 HB ILE 42 -0.957 2.469 -3.711
277 1HG1 ILE 42 2HG1 ILE 42 0.273 0.598 -1.734
278 2HG1 ILE 42 1HG1 ILE 42 0.999 0.746 -3.331
279 1HG2 ILE 42 1HG2 ILE 42 -2.992 1.864 -2.497
280 2HG2 ILE 42 2HG2 ILE 42 -1.738 2.457 -1.408
281 3HG2 ILE 42 3HG2 ILE 42 -2.063 0.728 -1.516
282 1HD1 ILE 42 1HD1 ILE 42 1.294 3.114 -3.007
283 2HD1 ILE 42 2HD1 ILE 42 2.032 2.215 -1.678
284 3HD1 ILE 42 3HD1 ILE 42 0.482 3.022 -1.443
285 H ASN 43 H ASN 43 -0.369 2.207 -5.687
286 HA ASN 43 HA ASN 43 1.200 0.343 -7.279
287 1HB ASN 43 2HB ASN 43 -0.027 2.255 -8.296
288 2HB ASN 43 1HB ASN 43 1.040 3.355 -7.444
289 1HD2 ASN 43 1HD2 ASN 43 1.795 4.246 -9.335
290 2HD2 ASN 43 2HD2 ASN 43 2.872 3.404 -10.402
291 H ARG 44 H ARG 44 3.450 0.266 -7.344
292 HA ARG 44 HA ARG 44 4.781 0.842 -4.908
293 1HB ARG 44 2HB ARG 44 6.787 0.002 -5.983
294 2HB ARG 44 1HB ARG 44 5.425 -1.039 -6.361
295 1HG ARG 44 2HG ARG 44 5.250 -0.086 -8.570
296 2HG ARG 44 1HG ARG 44 6.517 1.085 -8.197
297 1HD ARG 44 2HD ARG 44 8.098 -0.772 -7.863
298 2HD ARG 44 1HD ARG 44 6.830 -1.913 -8.302
299 HE ARG 44 HE ARG 44 6.813 -0.754 -10.522
300 1HH1 ARG 44 1HH1 ARG 44 9.636 -0.650 -8.462
301 2HH1 ARG 44 2HH1 ARG 44 10.758 -0.499 -9.777
302 1HH2 ARG 44 1HH2 ARG 44 8.298 -0.580 -12.279
303 2HH2 ARG 44 2HH2 ARG 44 10.003 -0.458 -11.942
304 H ASP 45 H ASP 45 4.194 2.717 -7.681
305 HA ASP 45 HA ASP 45 6.448 4.489 -7.338
306 1HB ASP 45 2HB ASP 45 5.511 4.088 -9.575
307 2HB ASP 45 1HB ASP 45 3.967 4.751 -9.056
308 H ASP 46 H ASP 46 3.368 4.105 -5.966
309 HA ASP 46 HA ASP 46 3.122 6.942 -5.268
310 1HB ASP 46 2HB ASP 46 1.171 4.639 -5.123
311 2HB ASP 46 1HB ASP 46 0.832 6.235 -4.460
312 H VAL 47 H VAL 47 4.777 4.552 -4.042
313 HA VAL 47 HA VAL 47 3.905 4.671 -1.273
314 HB VAL 47 HB VAL 47 6.466 3.448 -2.306
315 1HG1 VAL 47 1HG1 VAL 47 4.796 2.836 0.126
316 2HG1 VAL 47 2HG1 VAL 47 6.305 3.751 0.115
317 3HG1 VAL 47 3HG1 VAL 47 6.304 2.043 -0.328
318 1HG2 VAL 47 1HG2 VAL 47 5.321 1.328 -2.514
319 2HG2 VAL 47 2HG2 VAL 47 4.563 2.529 -3.563
320 3HG2 VAL 47 3HG2 VAL 47 3.799 2.078 -2.040
321 H SER 48 H SER 48 4.666 6.107 0.194
322 HA SER 48 HA SER 48 6.767 7.939 -0.652
323 1HB SER 48 2HB SER 48 4.761 8.954 0.271
324 2HB SER 48 1HB SER 48 4.903 7.993 1.740
325 HG SER 48 HG SER 48 6.918 9.802 0.881
326 H GLN 49 H GLN 49 6.039 6.393 2.494
327 HA GLN 49 HA GLN 49 8.356 4.836 2.642
328 1HB GLN 49 2HB GLN 49 9.515 7.030 2.702
329 2HB GLN 49 1HB GLN 49 8.587 7.463 4.132
330 1HG GLN 49 2HG GLN 49 9.638 5.728 5.411
331 2HG GLN 49 1HG GLN 49 10.457 5.111 3.979
332 1HE2 GLN 49 1HE2 GLN 49 12.225 6.202 3.165
333 2HE2 GLN 49 2HE2 GLN 49 13.062 7.414 4.072
334 H ILE 50 H ILE 50 8.380 3.585 4.525
335 HA ILE 50 HA ILE 50 6.013 3.730 6.182
336 HB ILE 50 HB ILE 50 8.406 1.893 6.449
337 1HG1 ILE 50 2HG1 ILE 50 7.381 1.603 4.253
338 2HG1 ILE 50 1HG1 ILE 50 7.023 0.213 5.273
339 1HG2 ILE 50 1HG2 ILE 50 6.852 0.453 7.710
340 2HG2 ILE 50 2HG2 ILE 50 5.617 1.705 7.581
341 3HG2 ILE 50 3HG2 ILE 50 7.098 2.020 8.483
342 1HD1 ILE 50 1HD1 ILE 50 5.080 0.846 3.993
343 2HD1 ILE 50 2HD1 ILE 50 5.159 2.488 4.633
344 3HD1 ILE 50 3HD1 ILE 50 4.792 1.140 5.709
345 H ILE 51 H ILE 51 5.928 4.991 7.940
346 HA ILE 51 HA ILE 51 8.472 5.861 9.124
347 HB ILE 51 HB ILE 51 7.352 7.734 8.151
348 1HG1 ILE 51 2HG1 ILE 51 6.898 7.762 11.142
349 2HG1 ILE 51 1HG1 ILE 51 8.424 8.114 10.338
350 1HG2 ILE 51 1HG2 ILE 51 5.108 6.839 7.974
351 2HG2 ILE 51 2HG2 ILE 51 5.075 8.412 8.773
352 3HG2 ILE 51 3HG2 ILE 51 4.909 6.936 9.724
353 1HD1 ILE 51 1HD1 ILE 51 5.881 9.714 10.178
354 2HD1 ILE 51 2HD1 ILE 51 7.333 10.042 9.232
355 3HD1 ILE 51 3HD1 ILE 51 7.381 10.166 10.991
356 H GLU 52 H GLU 52 8.904 5.199 11.086
357 HA GLU 52 HA GLU 52 6.889 3.812 12.643
358 1HB GLU 52 2HB GLU 52 9.187 2.897 12.287
359 2HB GLU 52 1HB GLU 52 9.833 4.236 13.223
360 1HG GLU 52 2HG GLU 52 8.629 3.460 15.190
361 2HG GLU 52 1HG GLU 52 7.932 2.138 14.255
362 H ARG 53 H ARG 53 6.143 6.397 12.529
363 HA ARG 53 HA ARG 53 6.097 7.147 15.275
364 1HB ARG 53 2HB ARG 53 8.354 8.044 14.382
365 2HB ARG 53 1HB ARG 53 7.380 9.207 13.489
366 1HG ARG 53 2HG ARG 53 6.510 10.141 15.488
367 2HG ARG 53 1HG ARG 53 7.190 8.839 16.463
368 1HD ARG 53 2HD ARG 53 9.466 9.625 15.671
369 2HD ARG 53 1HD ARG 53 8.645 11.055 15.043
370 HE ARG 53 HE ARG 53 7.965 10.581 17.770
371 1HH1 ARG 53 1HH1 ARG 53 10.518 11.867 15.730
372 2HH1 ARG 53 2HH1 ARG 53 11.158 12.895 16.977
373 1HH2 ARG 53 1HH2 ARG 53 8.832 11.921 19.411
374 2HH2 ARG 53 2HH2 ARG 53 10.206 12.925 19.059
Start of MODEL 14
1 H ASP 4 H ASP 4 7.379 -1.454 9.975
2 HA ASP 4 HA ASP 4 5.491 -2.390 9.138
3 1HB ASP 4 2HB ASP 4 6.700 -4.476 9.735
4 2HB ASP 4 1HB ASP 4 5.914 -4.462 11.308
5 H TYR 5 H TYR 5 4.650 -0.344 10.226
6 HA TYR 5 HA TYR 5 2.164 -0.984 11.510
7 1HB TYR 5 2HB TYR 5 3.676 -0.932 13.461
8 2HB TYR 5 1HB TYR 5 4.211 0.681 13.007
9 HD1 TYR 5 HD2 TYR 5 1.362 -1.282 14.293
10 HD2 TYR 5 HD1 TYR 5 2.907 2.609 13.534
11 HE1 TYR 5 HE2 TYR 5 -0.449 -0.306 15.639
12 HE2 TYR 5 HE1 TYR 5 1.100 3.596 14.880
13 HH TYR 5 HH TYR 5 -1.203 2.977 15.606
14 H VAL 6 H VAL 6 0.838 0.174 10.319
15 HA VAL 6 HA VAL 6 -0.142 1.828 9.139
16 HB VAL 6 HB VAL 6 0.745 3.139 11.337
17 1HG1 VAL 6 1HG1 VAL 6 2.818 3.899 10.294
18 2HG1 VAL 6 2HG1 VAL 6 1.759 5.256 10.682
19 3HG1 VAL 6 3HG1 VAL 6 1.891 4.686 9.018
20 1HG2 VAL 6 1HG2 VAL 6 -0.678 4.329 8.966
21 2HG2 VAL 6 2HG2 VAL 6 -0.659 5.017 10.590
22 3HG2 VAL 6 3HG2 VAL 6 -1.410 3.446 10.307
23 H MET 7 H MET 7 0.115 3.202 7.260
24 HA MET 7 HA MET 7 2.823 3.141 6.112
25 1HB MET 7 2HB MET 7 1.602 1.268 5.150
26 2HB MET 7 1HB MET 7 0.279 2.333 4.692
27 1HG MET 7 2HG MET 7 1.720 3.495 3.131
28 2HG MET 7 1HG MET 7 3.093 2.514 3.636
29 1HE MET 7 1HE MET 7 -0.577 0.808 1.417
30 2HE MET 7 2HE MET 7 -0.384 2.522 1.779
31 3HE MET 7 3HE MET 7 -0.626 1.367 3.090
32 H ALA 8 H ALA 8 3.462 4.990 5.231
33 HA ALA 8 HA ALA 8 1.447 7.080 4.739
34 1HB ALA 8 1HB ALA 8 3.106 7.657 6.451
35 2HB ALA 8 2HB ALA 8 3.252 8.699 5.035
36 3HB ALA 8 3HB ALA 8 4.403 7.386 5.286
37 H THR 9 H THR 9 1.032 7.520 2.685
38 HA THR 9 HA THR 9 2.829 6.434 0.663
39 HB THR 9 HB THR 9 0.941 6.960 -0.906
40 HG1 THR 9 HG1 THR 9 -1.070 7.444 0.059
41 1HG2 THR 9 1HG2 THR 9 0.299 5.184 1.453
42 2HG2 THR 9 2HG2 THR 9 1.252 4.728 0.040
43 3HG2 THR 9 3HG2 THR 9 -0.461 5.104 -0.136
44 H LYS 10 H LYS 10 2.553 7.838 -1.486
45 HA LYS 10 HA LYS 10 4.418 9.837 -1.350
46 1HB LYS 10 2HB LYS 10 3.845 8.782 -3.429
47 2HB LYS 10 1HB LYS 10 2.199 9.390 -3.346
48 1HG LYS 10 2HG LYS 10 2.940 11.631 -3.742
49 2HG LYS 10 1HG LYS 10 4.632 11.139 -3.622
50 1HD LYS 10 2HD LYS 10 3.944 11.418 -5.954
51 2HD LYS 10 1HD LYS 10 4.371 9.742 -5.607
52 1HE LYS 10 2HE LYS 10 2.373 9.749 -6.931
53 2HE LYS 10 1HE LYS 10 1.952 9.256 -5.293
54 1HZ LYS 10 1HZ LYS 10 1.337 11.672 -4.925
55 2HZ LYS 10 2HZ LYS 10 0.313 10.775 -5.928
56 3HZ LYS 10 3HZ LYS 10 1.426 11.860 -6.610
57 H ASP 11 H ASP 11 0.896 10.250 -1.399
58 HA ASP 11 HA ASP 11 0.970 13.066 -1.607
59 1HB ASP 11 2HB ASP 11 -0.939 11.420 -2.149
60 2HB ASP 11 1HB ASP 11 -1.341 11.544 -0.440
61 H GLY 12 H GLY 12 1.336 10.961 1.079
62 1HA GLY 12 2HA GLY 12 2.200 11.777 3.147
63 2HA GLY 12 1HA GLY 12 1.368 13.300 2.857
64 H ARG 13 H ARG 13 -0.615 10.736 2.059
65 HA ARG 13 HA ARG 13 -2.204 11.137 4.444
66 1HB ARG 13 2HB ARG 13 -3.926 9.866 3.309
67 2HB ARG 13 1HB ARG 13 -3.261 11.050 2.194
68 1HG ARG 13 2HG ARG 13 -1.806 9.198 1.288
69 2HG ARG 13 1HG ARG 13 -2.791 8.083 2.237
70 1HD ARG 13 2HD ARG 13 -3.702 9.912 0.023
71 2HD ARG 13 1HD ARG 13 -3.642 8.153 -0.003
72 HE ARG 13 HE ARG 13 -5.354 9.302 2.039
73 1HH1 ARG 13 1HH1 ARG 13 -5.129 7.951 -1.201
74 2HH1 ARG 13 2HH1 ARG 13 -6.842 7.681 -1.341
75 1HH2 ARG 13 1HH2 ARG 13 -7.609 8.962 1.835
76 2HH2 ARG 13 2HH2 ARG 13 -8.247 8.260 0.377
77 H MET 14 H MET 14 -2.667 9.583 5.973
78 HA MET 14 HA MET 14 -0.744 7.362 6.033
79 1HB MET 14 2HB MET 14 -2.257 8.731 8.262
80 2HB MET 14 1HB MET 14 -1.240 7.314 8.487
81 1HG MET 14 2HG MET 14 0.692 8.578 7.680
82 2HG MET 14 1HG MET 14 -0.330 10.000 7.481
83 1HE MET 14 1HE MET 14 1.197 7.448 10.070
84 2HE MET 14 2HE MET 14 -0.535 7.353 10.393
85 3HE MET 14 3HE MET 14 0.547 8.069 11.588
86 H ILE 15 H ILE 15 -1.524 5.498 5.415
87 HA ILE 15 HA ILE 15 -4.383 4.968 5.581
88 HB ILE 15 HB ILE 15 -2.171 3.292 4.377
89 1HG1 ILE 15 2HG1 ILE 15 -4.202 5.116 3.064
90 2HG1 ILE 15 1HG1 ILE 15 -2.484 5.457 3.240
91 1HG2 ILE 15 1HG2 ILE 15 -4.093 1.943 5.029
92 2HG2 ILE 15 2HG2 ILE 15 -3.987 2.065 3.272
93 3HG2 ILE 15 3HG2 ILE 15 -5.169 3.033 4.154
94 1HD1 ILE 15 1HD1 ILE 15 -3.673 3.203 1.641
95 2HD1 ILE 15 2HD1 ILE 15 -1.955 3.573 1.797
96 3HD1 ILE 15 3HD1 ILE 15 -3.035 4.713 0.992
97 H LEU 16 H LEU 16 -5.310 3.589 6.989
98 HA LEU 16 HA LEU 16 -3.694 2.730 9.217
99 1HB LEU 16 2HB LEU 16 -6.655 2.635 8.685
100 2HB LEU 16 1HB LEU 16 -5.933 1.913 10.108
101 HG LEU 16 HG LEU 16 -6.795 4.035 10.744
102 1HD1 LEU 16 1HD1 LEU 16 -3.806 4.226 10.400
103 2HD1 LEU 16 2HD1 LEU 16 -4.665 3.481 11.748
104 3HD1 LEU 16 3HD1 LEU 16 -4.778 5.220 11.485
105 1HD2 LEU 16 1HD2 LEU 16 -6.988 5.070 8.566
106 2HD2 LEU 16 2HD2 LEU 16 -5.232 5.193 8.441
107 3HD2 LEU 16 3HD2 LEU 16 -6.097 6.129 9.662
108 H THR 17 H THR 17 -2.422 1.175 8.247
109 HA THR 17 HA THR 17 -3.589 -1.115 6.967
110 HB THR 17 HB THR 17 -1.185 -1.927 6.953
111 HG1 THR 17 HG1 THR 17 -0.456 -0.750 8.775
112 1HG2 THR 17 1HG2 THR 17 -0.440 -0.287 5.293
113 2HG2 THR 17 2HG2 THR 17 -1.682 0.840 5.833
114 3HG2 THR 17 3HG2 THR 17 -2.144 -0.675 5.062
115 H ASP 18 H ASP 18 -3.474 -3.245 7.699
116 HA ASP 18 HA ASP 18 -3.304 -3.761 10.533
117 1HB ASP 18 2HB ASP 18 -4.789 -5.161 9.256
118 2HB ASP 18 1HB ASP 18 -3.534 -5.517 8.076
119 H GLY 19 H GLY 19 -1.346 -3.686 7.758
120 1HA GLY 19 2HA GLY 19 1.050 -3.128 8.357
121 2HA GLY 19 1HA GLY 19 1.021 -4.675 9.209
122 H LYS 20 H LYS 20 2.918 -4.934 7.463
123 HA LYS 20 HA LYS 20 3.445 -6.602 6.013
124 1HB LYS 20 2HB LYS 20 0.518 -7.242 6.270
125 2HB LYS 20 1HB LYS 20 1.591 -8.170 5.234
126 1HG LYS 20 2HG LYS 20 1.490 -9.374 7.235
127 2HG LYS 20 1HG LYS 20 3.031 -8.522 7.303
128 1HD LYS 20 2HD LYS 20 1.878 -6.749 8.654
129 2HD LYS 20 1HD LYS 20 0.472 -7.813 8.726
130 1HE LYS 20 2HE LYS 20 1.738 -8.110 10.730
131 2HE LYS 20 1HE LYS 20 1.932 -9.557 9.741
132 1HZ LYS 20 1HZ LYS 20 4.028 -8.794 10.715
133 2HZ LYS 20 2HZ LYS 20 3.882 -7.319 9.894
134 3HZ LYS 20 3HZ LYS 20 4.078 -8.764 9.019
135 HA PRO 21 HA PRO 21 2.155 -4.232 2.322
136 1HB PRO 21 2HB PRO 21 4.447 -2.935 1.824
137 2HB PRO 21 1HB PRO 21 3.278 -2.334 3.005
138 1HG PRO 21 2HG PRO 21 5.881 -3.687 3.433
139 2HG PRO 21 1HG PRO 21 5.062 -2.479 4.435
140 1HD PRO 21 2HD PRO 21 5.109 -5.280 4.840
141 2HD PRO 21 1HD PRO 21 4.105 -4.099 5.700
142 H GLU 22 H GLU 22 2.047 -6.214 1.216
143 HA GLU 22 HA GLU 22 4.479 -7.577 0.457
144 1HB GLU 22 2HB GLU 22 2.369 -8.812 0.955
145 2HB GLU 22 1HB GLU 22 1.637 -8.072 -0.460
146 1HG GLU 22 2HG GLU 22 3.453 -9.124 -1.828
147 2HG GLU 22 1HG GLU 22 3.924 -10.015 -0.381
148 H ILE 23 H ILE 23 5.641 -6.238 -0.836
149 HA ILE 23 HA ILE 23 4.527 -4.824 -3.038
150 HB ILE 23 HB ILE 23 7.419 -5.629 -2.669
151 1HG1 ILE 23 2HG1 ILE 23 5.925 -3.193 -1.673
152 2HG1 ILE 23 1HG1 ILE 23 6.627 -4.456 -0.677
153 1HG2 ILE 23 1HG2 ILE 23 6.118 -3.410 -4.247
154 2HG2 ILE 23 2HG2 ILE 23 6.891 -4.852 -4.909
155 3HG2 ILE 23 3HG2 ILE 23 7.857 -3.645 -4.061
156 1HD1 ILE 23 1HD1 ILE 23 8.018 -2.481 -0.658
157 2HD1 ILE 23 2HD1 ILE 23 8.144 -2.529 -2.416
158 3HD1 ILE 23 3HD1 ILE 23 8.859 -3.816 -1.446
159 H ASP 24 H ASP 24 3.530 -5.924 -4.570
160 HA ASP 24 HA ASP 24 4.125 -8.633 -5.204
161 1HB ASP 24 2HB ASP 24 1.859 -7.599 -5.363
162 2HB ASP 24 1HB ASP 24 2.422 -6.653 -6.734
163 H ASP 25 H ASP 25 5.550 -9.405 -6.604
164 HA ASP 25 HA ASP 25 7.349 -7.579 -7.898
165 1HB ASP 25 2HB ASP 25 8.151 -9.616 -6.769
166 2HB ASP 25 1HB ASP 25 7.274 -10.604 -7.930
167 H ASP 26 H ASP 26 4.604 -9.437 -8.841
168 HA ASP 26 HA ASP 26 5.291 -9.522 -11.635
169 1HB ASP 26 2HB ASP 26 2.755 -10.195 -10.145
170 2HB ASP 26 1HB ASP 26 2.891 -10.303 -11.895
171 H THR 27 H THR 27 2.766 -7.849 -9.757
172 HA THR 27 HA THR 27 2.092 -6.204 -12.046
173 HB THR 27 HB THR 27 0.444 -5.148 -10.477
174 HG1 THR 27 HG1 THR 27 1.401 -7.169 -8.688
175 1HG2 THR 27 1HG2 THR 27 -1.011 -7.112 -10.328
176 2HG2 THR 27 2HG2 THR 27 0.372 -8.164 -10.631
177 3HG2 THR 27 3HG2 THR 27 -0.181 -7.053 -11.884
178 H GLY 28 H GLY 28 3.952 -5.921 -9.106
179 1HA GLY 28 2HA GLY 28 5.584 -4.281 -8.696
180 2HA GLY 28 1HA GLY 28 4.884 -3.299 -9.975
181 H LEU 29 H LEU 29 2.459 -4.467 -8.040
182 HA LEU 29 HA LEU 29 2.252 -1.866 -6.713
183 1HB LEU 29 2HB LEU 29 0.249 -3.883 -7.628
184 2HB LEU 29 1HB LEU 29 -0.172 -2.820 -6.302
185 HG LEU 29 HG LEU 29 0.329 -0.873 -7.800
186 1HD1 LEU 29 1HD1 LEU 29 0.405 -1.235 -10.198
187 2HD1 LEU 29 2HD1 LEU 29 0.417 -2.981 -9.942
188 3HD1 LEU 29 3HD1 LEU 29 1.776 -2.001 -9.396
189 1HD2 LEU 29 1HD2 LEU 29 -1.947 -1.635 -7.391
190 2HD2 LEU 29 2HD2 LEU 29 -1.815 -2.771 -8.736
191 3HD2 LEU 29 3HD2 LEU 29 -1.759 -1.032 -9.037
192 H VAL 30 H VAL 30 1.555 -1.739 -4.515
193 HA VAL 30 HA VAL 30 2.718 -3.888 -2.920
194 HB VAL 30 HB VAL 30 1.783 -1.135 -2.086
195 1HG1 VAL 30 1HG1 VAL 30 2.944 -1.579 0.024
196 2HG1 VAL 30 2HG1 VAL 30 3.306 -3.218 -0.519
197 3HG1 VAL 30 3HG1 VAL 30 1.634 -2.729 -0.244
198 1HG2 VAL 30 1HG2 VAL 30 4.156 -0.605 -1.895
199 2HG2 VAL 30 2HG2 VAL 30 3.737 -1.066 -3.546
200 3HG2 VAL 30 3HG2 VAL 30 4.570 -2.212 -2.492
201 H SER 31 H SER 31 1.397 -5.464 -2.360
202 HA SER 31 HA SER 31 -1.447 -5.049 -1.970
203 1HB SER 31 2HB SER 31 0.134 -7.566 -1.436
204 2HB SER 31 1HB SER 31 -1.578 -7.427 -1.815
205 HG SER 31 HG SER 31 0.582 -7.533 -3.486
206 H TYR 32 H TYR 32 -2.049 -4.128 -0.072
207 HA TYR 32 HA TYR 32 -0.564 -4.963 2.339
208 1HB TYR 32 2HB TYR 32 -0.725 -2.788 3.252
209 2HB TYR 32 1HB TYR 32 -0.244 -2.544 1.578
210 HD1 TYR 32 HD2 TYR 32 -1.873 -1.650 -0.062
211 HD2 TYR 32 HD1 TYR 32 -2.832 -2.018 4.067
212 HE1 TYR 32 HE2 TYR 32 -3.785 -0.134 -0.369
213 HE2 TYR 32 HE1 TYR 32 -4.738 -0.503 3.771
214 HH TYR 32 HH TYR 32 -5.574 1.121 2.344
215 H HIS 33 H HIS 33 -1.832 -4.718 4.367
216 HA HIS 33 HA HIS 33 -4.654 -5.438 3.923
217 1HB HIS 33 2HB HIS 33 -2.905 -5.931 6.350
218 2HB HIS 33 1HB HIS 33 -4.581 -6.431 6.182
219 HD1 HIS 33 HD1 HIS 33 -1.745 -8.129 6.474
220 HD2 HIS 33 HD2 HIS 33 -4.393 -7.923 3.280
221 HE1 HIS 33 HE1 HIS 33 -1.363 -10.228 5.144
222 HE2 HIS 33 HE2 HIS 33 -3.120 -10.173 3.338
223 H ASP 34 H ASP 34 -6.199 -4.072 4.644
224 HA ASP 34 HA ASP 34 -5.503 -1.734 6.201
225 1HB ASP 34 2HB ASP 34 -8.010 -2.807 4.984
226 2HB ASP 34 1HB ASP 34 -8.168 -1.706 6.345
227 H GLN 35 H GLN 35 -5.977 -1.426 8.429
228 HA GLN 35 HA GLN 35 -6.455 -3.820 9.962
229 1HB GLN 35 2HB GLN 35 -6.397 -2.403 11.934
230 2HB GLN 35 1HB GLN 35 -5.052 -2.009 10.876
231 1HG GLN 35 2HG GLN 35 -6.279 -0.049 10.070
232 2HG GLN 35 1HG GLN 35 -7.604 -0.440 11.167
233 1HE2 GLN 35 1HE2 GLN 35 -4.225 -0.882 11.962
234 2HE2 GLN 35 2HE2 GLN 35 -4.153 0.350 13.175
235 H GLN 36 H GLN 36 -8.306 -1.660 8.266
236 HA GLN 36 HA GLN 36 -10.794 -1.854 9.584
237 1HB GLN 36 2HB GLN 36 -10.503 -0.177 7.918
238 2HB GLN 36 1HB GLN 36 -9.969 -1.348 6.727
239 1HG GLN 36 2HG GLN 36 -12.191 -2.261 6.573
240 2HG GLN 36 1HG GLN 36 -12.751 -1.189 7.851
241 1HE2 GLN 36 1HE2 GLN 36 -10.485 -0.110 5.458
242 2HE2 GLN 36 2HE2 GLN 36 -11.573 0.910 4.580
243 H GLY 37 H GLY 37 -8.948 -4.021 7.612
244 1HA GLY 37 2HA GLY 37 -9.477 -6.393 7.814
245 2HA GLY 37 1HA GLY 37 -11.176 -5.959 7.704
246 H ASN 38 H ASN 38 -8.917 -4.354 5.635
247 HA ASN 38 HA ASN 38 -10.057 -5.840 3.365
248 1HB ASN 38 2HB ASN 38 -8.968 -3.024 3.496
249 2HB ASN 38 1HB ASN 38 -9.493 -3.818 2.016
250 1HD2 ASN 38 1HD2 ASN 38 -10.464 -1.408 3.350
251 2HD2 ASN 38 2HD2 ASN 38 -12.155 -1.668 3.602
252 H ALA 39 H ALA 39 -8.690 -6.090 1.481
253 HA ALA 39 HA ALA 39 -5.807 -5.822 1.907
254 1HB ALA 39 1HB ALA 39 -7.140 -8.336 0.882
255 2HB ALA 39 2HB ALA 39 -6.340 -8.156 2.444
256 3HB ALA 39 3HB ALA 39 -5.400 -8.047 0.955
257 H MET 40 H MET 40 -5.000 -4.700 0.230
258 HA MET 40 HA MET 40 -6.032 -5.088 -2.446
259 1HB MET 40 2HB MET 40 -6.763 -2.829 -2.814
260 2HB MET 40 1HB MET 40 -7.611 -3.453 -1.406
261 1HG MET 40 2HG MET 40 -5.878 -2.294 0.004
262 2HG MET 40 1HG MET 40 -5.325 -1.506 -1.472
263 1HE MET 40 1HE MET 40 -8.859 -2.416 0.049
264 2HE MET 40 2HE MET 40 -9.341 -0.834 0.661
265 3HE MET 40 3HE MET 40 -7.936 -1.655 1.347
266 H GLN 41 H GLN 41 -4.888 -3.527 -3.994
267 HA GLN 41 HA GLN 41 -2.066 -3.391 -3.149
268 1HB GLN 41 2HB GLN 41 -3.176 -3.814 -5.932
269 2HB GLN 41 1HB GLN 41 -1.475 -3.797 -5.490
270 1HG GLN 41 2HG GLN 41 -1.839 -5.779 -4.090
271 2HG GLN 41 1HG GLN 41 -3.525 -5.811 -4.601
272 1HE2 GLN 41 1HE2 GLN 41 -0.924 -4.929 -6.744
273 2HE2 GLN 41 2HE2 GLN 41 -0.998 -6.335 -7.742
274 H ILE 42 H ILE 42 -1.170 -1.431 -3.100
275 HA ILE 42 HA ILE 42 -2.385 0.716 -4.702
276 HB ILE 42 HB ILE 42 -1.175 2.315 -3.375
277 1HG1 ILE 42 2HG1 ILE 42 -0.083 0.320 -1.474
278 2HG1 ILE 42 1HG1 ILE 42 0.725 0.429 -3.038
279 1HG2 ILE 42 1HG2 ILE 42 -3.280 1.573 -2.450
280 2HG2 ILE 42 2HG2 ILE 42 -2.136 1.903 -1.150
281 3HG2 ILE 42 3HG2 ILE 42 -2.479 0.239 -1.622
282 1HD1 ILE 42 1HD1 ILE 42 1.798 1.871 -1.426
283 2HD1 ILE 42 2HD1 ILE 42 0.269 2.693 -1.113
284 3HD1 ILE 42 3HD1 ILE 42 1.035 2.829 -2.699
285 H ASN 43 H ASN 43 -0.703 2.290 -5.613
286 HA ASN 43 HA ASN 43 0.875 0.713 -7.414
287 1HB ASN 43 2HB ASN 43 -0.449 2.765 -8.021
288 2HB ASN 43 1HB ASN 43 0.777 3.721 -7.205
289 1HD2 ASN 43 1HD2 ASN 43 1.159 4.752 -9.213
290 2HD2 ASN 43 2HD2 ASN 43 2.130 3.990 -10.427
291 H ARG 44 H ARG 44 3.119 0.904 -7.815
292 HA ARG 44 HA ARG 44 4.802 0.951 -5.567
293 1HB ARG 44 2HB ARG 44 5.270 -0.167 -7.777
294 2HB ARG 44 1HB ARG 44 5.624 1.421 -8.440
295 1HG ARG 44 2HG ARG 44 7.694 0.410 -7.908
296 2HG ARG 44 1HG ARG 44 7.405 1.647 -6.683
297 1HD ARG 44 2HD ARG 44 6.615 -0.048 -5.133
298 2HD ARG 44 1HD ARG 44 6.826 -1.291 -6.363
299 HE ARG 44 HE ARG 44 9.020 0.201 -5.062
300 1HH1 ARG 44 1HH1 ARG 44 7.857 -2.553 -6.882
301 2HH1 ARG 44 2HH1 ARG 44 9.277 -3.519 -6.591
302 1HH2 ARG 44 1HH2 ARG 44 10.898 -1.065 -4.669
303 2HH2 ARG 44 2HH2 ARG 44 10.996 -2.673 -5.332
304 H ASP 45 H ASP 45 3.926 3.395 -7.908
305 HA ASP 45 HA ASP 45 5.797 5.346 -6.930
306 1HB ASP 45 2HB ASP 45 3.454 5.601 -8.826
307 2HB ASP 45 1HB ASP 45 4.593 6.894 -8.470
308 H ASP 46 H ASP 46 2.889 4.179 -5.808
309 HA ASP 46 HA ASP 46 1.913 6.734 -4.822
310 1HB ASP 46 2HB ASP 46 0.347 4.999 -5.745
311 2HB ASP 46 1HB ASP 46 0.730 3.993 -4.351
312 H VAL 47 H VAL 47 3.343 3.750 -3.621
313 HA VAL 47 HA VAL 47 3.164 4.493 -0.866
314 HB VAL 47 HB VAL 47 3.394 2.137 -1.569
315 1HG1 VAL 47 1HG1 VAL 47 5.545 1.251 -2.291
316 2HG1 VAL 47 2HG1 VAL 47 6.209 2.885 -2.327
317 3HG1 VAL 47 3HG1 VAL 47 4.919 2.432 -3.441
318 1HG2 VAL 47 1HG2 VAL 47 5.651 3.118 0.170
319 2HG2 VAL 47 2HG2 VAL 47 5.076 1.453 0.083
320 3HG2 VAL 47 3HG2 VAL 47 4.015 2.722 0.696
321 H SER 48 H SER 48 4.794 5.368 0.475
322 HA SER 48 HA SER 48 7.053 6.565 -0.967
323 1HB SER 48 2HB SER 48 5.154 8.187 -0.630
324 2HB SER 48 1HB SER 48 5.413 8.034 1.106
325 HG SER 48 HG SER 48 7.193 9.056 -0.853
326 H GLN 49 H GLN 49 5.778 6.322 2.402
327 HA GLN 49 HA GLN 49 8.491 5.550 3.225
328 1HB GLN 49 2HB GLN 49 6.862 7.813 4.373
329 2HB GLN 49 1HB GLN 49 8.258 7.118 5.185
330 1HG GLN 49 2HG GLN 49 8.260 8.462 2.493
331 2HG GLN 49 1HG GLN 49 8.844 9.153 4.007
332 1HE2 GLN 49 1HE2 GLN 49 10.237 8.642 1.489
333 2HE2 GLN 49 2HE2 GLN 49 11.587 7.634 1.892
334 H ILE 50 H ILE 50 8.637 4.145 4.837
335 HA ILE 50 HA ILE 50 6.214 3.471 6.373
336 HB ILE 50 HB ILE 50 8.752 1.848 6.015
337 1HG1 ILE 50 2HG1 ILE 50 7.424 1.901 3.960
338 2HG1 ILE 50 1HG1 ILE 50 7.358 0.305 4.698
339 1HG2 ILE 50 1HG2 ILE 50 6.172 1.095 7.382
340 2HG2 ILE 50 2HG2 ILE 50 7.689 1.488 8.190
341 3HG2 ILE 50 3HG2 ILE 50 7.581 0.055 7.168
342 1HD1 ILE 50 1HD1 ILE 50 5.188 0.976 3.843
343 2HD1 ILE 50 2HD1 ILE 50 5.217 2.414 4.865
344 3HD1 ILE 50 3HD1 ILE 50 5.149 0.812 5.599
345 H ILE 51 H ILE 51 6.360 3.560 8.653
346 HA ILE 51 HA ILE 51 8.320 5.447 9.569
347 HB ILE 51 HB ILE 51 6.078 5.728 10.380
348 1HG1 ILE 51 2HG1 ILE 51 7.891 4.762 12.601
349 2HG1 ILE 51 1HG1 ILE 51 7.896 6.374 11.892
350 1HG2 ILE 51 1HG2 ILE 51 4.990 4.093 11.855
351 2HG2 ILE 51 2HG2 ILE 51 6.324 2.974 11.573
352 3HG2 ILE 51 3HG2 ILE 51 5.277 3.454 10.237
353 1HD1 ILE 51 1HD1 ILE 51 5.620 6.732 12.725
354 2HD1 ILE 51 2HD1 ILE 51 6.755 6.369 14.024
355 3HD1 ILE 51 3HD1 ILE 51 5.645 5.126 13.452
356 H GLU 52 H GLU 52 10.285 4.820 10.044
357 HA GLU 52 HA GLU 52 10.794 2.222 11.252
358 1HB GLU 52 2HB GLU 52 12.572 4.397 10.164
359 2HB GLU 52 1HB GLU 52 13.217 3.033 11.067
360 1HG GLU 52 2HG GLU 52 11.594 2.810 8.543
361 2HG GLU 52 1HG GLU 52 13.353 2.745 8.627
362 H ARG 53 H ARG 53 12.805 2.532 12.936
363 HA ARG 53 HA ARG 53 11.491 3.718 15.194
364 1HB ARG 53 2HB ARG 53 12.802 1.594 15.330
365 2HB ARG 53 1HB ARG 53 14.267 2.533 15.074
366 1HG ARG 53 2HG ARG 53 13.660 3.853 17.122
367 2HG ARG 53 1HG ARG 53 12.380 2.675 17.411
368 1HD ARG 53 2HD ARG 53 14.267 2.037 18.723
369 2HD ARG 53 1HD ARG 53 14.129 0.893 17.389
370 HE ARG 53 HE ARG 53 15.891 2.485 16.318
371 1HH1 ARG 53 1HH1 ARG 53 15.663 1.556 19.686
372 2HH1 ARG 53 2HH1 ARG 53 17.365 1.718 19.995
373 1HH2 ARG 53 1HH2 ARG 53 18.153 2.707 16.713
374 2HH2 ARG 53 2HH2 ARG 53 18.780 2.366 18.299
Start of MODEL 15
1 H ASP 4 H ASP 4 0.906 -0.780 15.507
2 HA ASP 4 HA ASP 4 3.710 -0.625 15.986
3 1HB ASP 4 2HB ASP 4 2.285 -2.567 16.647
4 2HB ASP 4 1HB ASP 4 2.133 -2.986 14.945
5 H TYR 5 H TYR 5 1.708 -1.157 13.142
6 HA TYR 5 HA TYR 5 4.051 -0.430 11.523
7 1HB TYR 5 2HB TYR 5 1.888 -2.426 10.846
8 2HB TYR 5 1HB TYR 5 3.021 -1.783 9.665
9 HD1 TYR 5 HD2 TYR 5 5.573 -2.032 10.366
10 HD2 TYR 5 HD1 TYR 5 2.399 -4.438 11.869
11 HE1 TYR 5 HE2 TYR 5 7.189 -3.789 10.956
12 HE2 TYR 5 HE1 TYR 5 4.009 -6.201 12.458
13 HH TYR 5 HH TYR 5 7.362 -5.690 12.519
14 H VAL 6 H VAL 6 3.432 0.569 9.434
15 HA VAL 6 HA VAL 6 0.900 1.785 9.086
16 HB VAL 6 HB VAL 6 1.749 3.077 11.066
17 1HG1 VAL 6 1HG1 VAL 6 3.839 4.060 9.133
18 2HG1 VAL 6 2HG1 VAL 6 4.121 3.050 10.551
19 3HG1 VAL 6 3HG1 VAL 6 3.543 4.705 10.748
20 1HG2 VAL 6 1HG2 VAL 6 1.410 4.687 8.541
21 2HG2 VAL 6 2HG2 VAL 6 1.214 5.289 10.187
22 3HG2 VAL 6 3HG2 VAL 6 0.110 4.065 9.559
23 H MET 7 H MET 7 0.992 3.336 7.208
24 HA MET 7 HA MET 7 3.477 3.205 5.677
25 1HB MET 7 2HB MET 7 2.222 1.228 4.972
26 2HB MET 7 1HB MET 7 0.823 2.229 4.612
27 1HG MET 7 2HG MET 7 2.116 3.387 2.878
28 2HG MET 7 1HG MET 7 3.488 2.338 3.223
29 1HE MET 7 1HE MET 7 -0.354 1.361 3.122
30 2HE MET 7 2HE MET 7 -0.506 0.908 1.424
31 3HE MET 7 3HE MET 7 -0.147 2.577 1.862
32 H ALA 8 H ALA 8 3.909 5.243 5.152
33 HA ALA 8 HA ALA 8 1.721 7.124 4.683
34 1HB ALA 8 1HB ALA 8 3.501 8.821 4.569
35 2HB ALA 8 2HB ALA 8 4.711 7.552 4.756
36 3HB ALA 8 3HB ALA 8 3.578 7.891 6.065
37 H THR 9 H THR 9 0.987 7.513 2.682
38 HA THR 9 HA THR 9 2.433 6.305 0.461
39 HB THR 9 HB THR 9 0.374 6.755 -0.840
40 HG1 THR 9 HG1 THR 9 -1.278 7.816 0.022
41 1HG2 THR 9 1HG2 THR 9 -0.063 5.269 1.758
42 2HG2 THR 9 2HG2 THR 9 0.679 4.608 0.300
43 3HG2 THR 9 3HG2 THR 9 -1.019 5.080 0.288
44 H LYS 10 H LYS 10 1.835 7.600 -1.675
45 HA LYS 10 HA LYS 10 3.656 9.531 -2.139
46 1HB LYS 10 2HB LYS 10 2.144 8.376 -3.785
47 2HB LYS 10 1HB LYS 10 0.893 9.531 -3.356
48 1HG LYS 10 2HG LYS 10 2.227 11.351 -4.191
49 2HG LYS 10 1HG LYS 10 3.576 10.261 -4.505
50 1HD LYS 10 2HD LYS 10 2.436 10.723 -6.575
51 2HD LYS 10 1HD LYS 10 2.165 9.041 -6.129
52 1HE LYS 10 2HE LYS 10 0.203 11.266 -5.573
53 2HE LYS 10 1HE LYS 10 0.152 10.258 -7.011
54 1HZ LYS 10 1HZ LYS 10 -0.073 9.224 -4.234
55 2HZ LYS 10 2HZ LYS 10 -0.269 8.332 -5.660
56 3HZ LYS 10 3HZ LYS 10 -1.383 9.539 -5.249
57 H ASP 11 H ASP 11 0.343 10.088 -1.043
58 HA ASP 11 HA ASP 11 0.560 12.941 -1.365
59 1HB ASP 11 2HB ASP 11 -1.671 11.256 -0.208
60 2HB ASP 11 1HB ASP 11 -1.780 12.967 -0.613
61 H GLY 12 H GLY 12 1.783 11.014 0.917
62 1HA GLY 12 2HA GLY 12 2.774 11.641 2.921
63 2HA GLY 12 1HA GLY 12 1.927 13.179 2.827
64 H ARG 13 H ARG 13 -0.300 10.800 2.331
65 HA ARG 13 HA ARG 13 -1.355 11.134 5.001
66 1HB ARG 13 2HB ARG 13 -3.323 9.921 4.149
67 2HB ARG 13 1HB ARG 13 -2.898 11.285 3.124
68 1HG ARG 13 2HG ARG 13 -1.770 9.724 1.583
69 2HG ARG 13 1HG ARG 13 -2.324 8.384 2.585
70 1HD ARG 13 2HD ARG 13 -4.098 10.381 1.191
71 2HD ARG 13 1HD ARG 13 -3.758 8.748 0.626
72 HE ARG 13 HE ARG 13 -4.787 8.684 3.269
73 1HH1 ARG 13 1HH1 ARG 13 -5.746 9.167 -0.072
74 2HH1 ARG 13 2HH1 ARG 13 -7.398 8.695 0.199
75 1HH2 ARG 13 1HH2 ARG 13 -6.958 8.038 3.626
76 2HH2 ARG 13 2HH2 ARG 13 -8.092 8.068 2.305
77 H MET 14 H MET 14 -1.458 9.605 6.568
78 HA MET 14 HA MET 14 0.192 7.236 6.140
79 1HB MET 14 2HB MET 14 -1.002 8.391 8.664
80 2HB MET 14 1HB MET 14 0.041 6.980 8.604
81 1HG MET 14 2HG MET 14 1.856 8.360 7.723
82 2HG MET 14 1HG MET 14 0.807 9.775 7.790
83 1HE MET 14 1HE MET 14 2.629 11.081 9.204
84 2HE MET 14 2HE MET 14 3.694 9.675 9.146
85 3HE MET 14 3HE MET 14 3.352 10.458 10.689
86 H ILE 15 H ILE 15 -0.709 5.409 5.576
87 HA ILE 15 HA ILE 15 -3.534 4.908 5.999
88 HB ILE 15 HB ILE 15 -1.412 3.097 4.821
89 1HG1 ILE 15 2HG1 ILE 15 -1.639 5.182 3.535
90 2HG1 ILE 15 1HG1 ILE 15 -2.244 3.799 2.630
91 1HG2 ILE 15 1HG2 ILE 15 -3.372 1.888 5.593
92 2HG2 ILE 15 2HG2 ILE 15 -3.299 1.891 3.831
93 3HG2 ILE 15 3HG2 ILE 15 -4.419 2.965 4.669
94 1HD1 ILE 15 1HD1 ILE 15 -3.906 5.852 4.081
95 2HD1 ILE 15 2HD1 ILE 15 -4.540 4.441 3.233
96 3HD1 ILE 15 3HD1 ILE 15 -3.697 5.703 2.336
97 H LEU 16 H LEU 16 -4.360 3.722 7.627
98 HA LEU 16 HA LEU 16 -2.575 2.847 9.721
99 1HB LEU 16 2HB LEU 16 -5.577 2.860 9.470
100 2HB LEU 16 1HB LEU 16 -4.750 2.168 10.851
101 HG LEU 16 HG LEU 16 -5.466 4.342 11.483
102 1HD1 LEU 16 1HD1 LEU 16 -3.357 5.491 11.964
103 2HD1 LEU 16 2HD1 LEU 16 -2.527 4.428 10.826
104 3HD1 LEU 16 3HD1 LEU 16 -3.263 3.760 12.283
105 1HD2 LEU 16 1HD2 LEU 16 -4.092 5.419 9.025
106 2HD2 LEU 16 2HD2 LEU 16 -4.910 6.371 10.266
107 3HD2 LEU 16 3HD2 LEU 16 -5.833 5.263 9.250
108 H THR 17 H THR 17 -1.650 1.317 8.054
109 HA THR 17 HA THR 17 -3.058 -1.091 7.470
110 HB THR 17 HB THR 17 -0.774 -1.936 6.838
111 HG1 THR 17 HG1 THR 17 0.132 -0.194 8.431
112 1HG2 THR 17 1HG2 THR 17 -1.584 0.736 5.688
113 2HG2 THR 17 2HG2 THR 17 -2.192 -0.841 5.187
114 3HG2 THR 17 3HG2 THR 17 -0.500 -0.425 4.921
115 H ASP 18 H ASP 18 -3.229 -2.919 8.675
116 HA ASP 18 HA ASP 18 -2.347 -3.131 11.317
117 1HB ASP 18 2HB ASP 18 -3.099 -5.236 9.288
118 2HB ASP 18 1HB ASP 18 -2.643 -5.651 10.938
119 H GLY 19 H GLY 19 -0.861 -4.240 8.304
120 1HA GLY 19 2HA GLY 19 1.541 -3.135 8.652
121 2HA GLY 19 1HA GLY 19 1.706 -4.581 9.641
122 H LYS 20 H LYS 20 3.444 -4.304 7.485
123 HA LYS 20 HA LYS 20 4.294 -5.919 6.145
124 1HB LYS 20 2HB LYS 20 1.818 -7.483 6.854
125 2HB LYS 20 1HB LYS 20 3.193 -8.120 5.958
126 1HG LYS 20 2HG LYS 20 4.560 -7.306 8.024
127 2HG LYS 20 1HG LYS 20 2.992 -7.359 8.834
128 1HD LYS 20 2HD LYS 20 4.178 -9.449 9.154
129 2HD LYS 20 1HD LYS 20 2.743 -9.709 8.158
130 1HE LYS 20 2HE LYS 20 4.069 -9.782 6.159
131 2HE LYS 20 1HE LYS 20 5.514 -9.291 7.043
132 1HZ LYS 20 1HZ LYS 20 5.444 -11.367 8.255
133 2HZ LYS 20 2HZ LYS 20 5.495 -11.661 6.585
134 3HZ LYS 20 3HZ LYS 20 4.036 -11.840 7.431
135 HA PRO 21 HA PRO 21 1.740 -4.627 2.573
136 1HB PRO 21 2HB PRO 21 3.855 -2.943 1.663
137 2HB PRO 21 1HB PRO 21 2.281 -2.453 2.289
138 1HG PRO 21 2HG PRO 21 4.721 -1.995 3.531
139 2HG PRO 21 1HG PRO 21 3.138 -1.933 4.325
140 1HD PRO 21 2HD PRO 21 5.181 -4.113 4.333
141 2HD PRO 21 1HD PRO 21 4.066 -3.600 5.619
142 H GLU 22 H GLU 22 1.927 -6.490 1.437
143 HA GLU 22 HA GLU 22 4.514 -7.490 0.620
144 1HB GLU 22 2HB GLU 22 1.721 -8.492 0.053
145 2HB GLU 22 1HB GLU 22 3.194 -9.316 -0.435
146 1HG GLU 22 2HG GLU 22 3.818 -9.376 2.006
147 2HG GLU 22 1HG GLU 22 2.172 -8.842 2.344
148 H ILE 23 H ILE 23 5.496 -6.539 -1.009
149 HA ILE 23 HA ILE 23 4.037 -5.159 -3.059
150 HB ILE 23 HB ILE 23 7.001 -5.719 -2.867
151 1HG1 ILE 23 2HG1 ILE 23 5.380 -3.301 -2.036
152 2HG1 ILE 23 1HG1 ILE 23 6.174 -4.430 -0.950
153 1HG2 ILE 23 1HG2 ILE 23 7.242 -3.884 -4.464
154 2HG2 ILE 23 2HG2 ILE 23 5.488 -3.721 -4.552
155 3HG2 ILE 23 3HG2 ILE 23 6.267 -5.189 -5.141
156 1HD1 ILE 23 1HD1 ILE 23 7.531 -2.579 -2.894
157 2HD1 ILE 23 2HD1 ILE 23 8.349 -3.740 -1.849
158 3HD1 ILE 23 3HD1 ILE 23 7.455 -2.396 -1.140
159 H ASP 24 H ASP 24 3.131 -6.160 -4.681
160 HA ASP 24 HA ASP 24 3.878 -8.740 -5.637
161 1HB ASP 24 2HB ASP 24 2.165 -6.588 -6.916
162 2HB ASP 24 1HB ASP 24 2.287 -8.251 -7.478
163 H ASP 25 H ASP 25 5.956 -8.822 -6.331
164 HA ASP 25 HA ASP 25 7.292 -6.641 -7.533
165 1HB ASP 25 2HB ASP 25 9.170 -8.158 -7.796
166 2HB ASP 25 1HB ASP 25 8.442 -8.397 -6.212
167 H ASP 26 H ASP 26 5.289 -9.107 -8.794
168 HA ASP 26 HA ASP 26 6.329 -9.395 -11.368
169 1HB ASP 26 2HB ASP 26 4.595 -10.873 -10.519
170 2HB ASP 26 1HB ASP 26 3.455 -9.535 -10.447
171 H THR 27 H THR 27 3.941 -7.078 -10.136
172 HA THR 27 HA THR 27 4.139 -5.644 -12.699
173 HB THR 27 HB THR 27 1.922 -6.576 -12.402
174 HG1 THR 27 HG1 THR 27 1.460 -4.759 -13.375
175 1HG2 THR 27 1HG2 THR 27 1.823 -5.025 -9.823
176 2HG2 THR 27 2HG2 THR 27 1.896 -6.780 -9.977
177 3HG2 THR 27 3HG2 THR 27 0.476 -5.904 -10.547
178 H GLY 28 H GLY 28 4.367 -5.394 -9.241
179 1HA GLY 28 2HA GLY 28 5.582 -3.633 -8.213
180 2HA GLY 28 1HA GLY 28 5.136 -2.580 -9.547
181 H LEU 29 H LEU 29 2.869 -4.653 -7.842
182 HA LEU 29 HA LEU 29 1.539 -2.245 -6.810
183 1HB LEU 29 2HB LEU 29 0.501 -5.080 -6.980
184 2HB LEU 29 1HB LEU 29 -0.412 -3.691 -6.427
185 HG LEU 29 HG LEU 29 0.571 -4.218 -9.228
186 1HD1 LEU 29 1HD1 LEU 29 -1.392 -5.489 -8.625
187 2HD1 LEU 29 2HD1 LEU 29 -1.827 -4.207 -9.756
188 3HD1 LEU 29 3HD1 LEU 29 -2.190 -4.031 -8.039
189 1HD2 LEU 29 1HD2 LEU 29 -0.887 -1.803 -8.168
190 2HD2 LEU 29 2HD2 LEU 29 -0.519 -2.137 -9.860
191 3HD2 LEU 29 3HD2 LEU 29 0.789 -1.846 -8.715
192 H VAL 30 H VAL 30 0.687 -2.350 -4.572
193 HA VAL 30 HA VAL 30 2.364 -4.082 -2.870
194 HB VAL 30 HB VAL 30 1.375 -1.297 -2.219
195 1HG1 VAL 30 1HG1 VAL 30 2.769 -1.487 -0.229
196 2HG1 VAL 30 2HG1 VAL 30 3.179 -3.145 -0.668
197 3HG1 VAL 30 3HG1 VAL 30 1.516 -2.728 -0.255
198 1HG2 VAL 30 1HG2 VAL 30 3.152 -1.218 -3.869
199 2HG2 VAL 30 2HG2 VAL 30 4.150 -2.282 -2.876
200 3HG2 VAL 30 3HG2 VAL 30 3.751 -0.661 -2.306
201 H SER 31 H SER 31 1.127 -5.630 -2.084
202 HA SER 31 HA SER 31 -1.687 -5.285 -1.608
203 1HB SER 31 2HB SER 31 0.208 -7.555 -0.969
204 2HB SER 31 1HB SER 31 -1.537 -7.624 -0.737
205 HG SER 31 HG SER 31 -0.191 -7.190 -3.220
206 H TYR 32 H TYR 32 -2.202 -3.940 0.020
207 HA TYR 32 HA TYR 32 -0.810 -4.311 2.590
208 1HB TYR 32 2HB TYR 32 -1.164 -1.965 3.067
209 2HB TYR 32 1HB TYR 32 -0.343 -2.127 1.523
210 HD1 TYR 32 HD2 TYR 32 -2.027 -2.163 -0.581
211 HD2 TYR 32 HD1 TYR 32 -2.890 -0.451 3.215
212 HE1 TYR 32 HE2 TYR 32 -3.731 -0.733 -1.623
213 HE2 TYR 32 HE1 TYR 32 -4.592 0.990 2.180
214 HH TYR 32 HH TYR 32 -5.166 1.911 0.018
215 H HIS 33 H HIS 33 -2.065 -4.041 4.516
216 HA HIS 33 HA HIS 33 -4.908 -4.702 4.100
217 1HB HIS 33 2HB HIS 33 -3.088 -5.327 6.440
218 2HB HIS 33 1HB HIS 33 -4.811 -5.672 6.402
219 HD1 HIS 33 HD1 HIS 33 -2.172 -7.649 6.501
220 HD2 HIS 33 HD2 HIS 33 -4.914 -7.092 3.429
221 HE1 HIS 33 HE1 HIS 33 -2.064 -9.738 5.115
222 HE2 HIS 33 HE2 HIS 33 -3.911 -9.477 3.417
223 H ASP 34 H ASP 34 -6.321 -3.194 4.625
224 HA ASP 34 HA ASP 34 -5.558 -1.026 6.428
225 1HB ASP 34 2HB ASP 34 -7.391 -1.271 4.235
226 2HB ASP 34 1HB ASP 34 -8.275 -0.762 5.670
227 H GLN 35 H GLN 35 -7.142 -0.344 8.085
228 HA GLN 35 HA GLN 35 -7.739 -2.547 9.806
229 1HB GLN 35 2HB GLN 35 -8.600 -0.763 11.343
230 2HB GLN 35 1HB GLN 35 -6.930 -0.555 10.832
231 1HG GLN 35 2HG GLN 35 -7.615 1.121 9.214
232 2HG GLN 35 1HG GLN 35 -9.302 0.888 9.669
233 1HE2 GLN 35 1HE2 GLN 35 -6.701 0.841 11.984
234 2HE2 GLN 35 2HE2 GLN 35 -7.111 2.326 12.768
235 H GLN 36 H GLN 36 -9.130 -3.222 7.824
236 HA GLN 36 HA GLN 36 -11.875 -3.047 8.770
237 1HB GLN 36 2HB GLN 36 -11.565 -1.292 6.954
238 2HB GLN 36 1HB GLN 36 -11.202 -2.606 5.850
239 1HG GLN 36 2HG GLN 36 -13.511 -1.821 5.655
240 2HG GLN 36 1HG GLN 36 -13.418 -3.515 6.133
241 1HE2 GLN 36 1HE2 GLN 36 -14.097 -4.123 8.188
242 2HE2 GLN 36 2HE2 GLN 36 -14.977 -3.052 9.232
243 H GLY 37 H GLY 37 -9.364 -4.890 8.262
244 1HA GLY 37 2HA GLY 37 -8.934 -7.027 7.498
245 2HA GLY 37 1HA GLY 37 -10.681 -7.263 7.405
246 H ASN 38 H ASN 38 -8.490 -4.999 5.809
247 HA ASN 38 HA ASN 38 -9.937 -5.558 3.307
248 1HB ASN 38 2HB ASN 38 -10.008 -3.255 4.634
249 2HB ASN 38 1HB ASN 38 -8.488 -2.990 3.789
250 1HD2 ASN 38 1HD2 ASN 38 -10.953 -1.563 3.527
251 2HD2 ASN 38 2HD2 ASN 38 -11.449 -1.710 1.885
252 H ALA 39 H ALA 39 -8.714 -6.649 1.911
253 HA ALA 39 HA ALA 39 -5.809 -6.196 1.900
254 1HB ALA 39 1HB ALA 39 -5.669 -8.293 0.622
255 2HB ALA 39 2HB ALA 39 -7.426 -8.443 0.694
256 3HB ALA 39 3HB ALA 39 -6.472 -8.521 2.175
257 H MET 40 H MET 40 -5.258 -4.632 0.534
258 HA MET 40 HA MET 40 -6.532 -4.579 -2.124
259 1HB MET 40 2HB MET 40 -5.804 -2.221 -0.377
260 2HB MET 40 1HB MET 40 -6.294 -2.094 -2.061
261 1HG MET 40 2HG MET 40 -8.459 -2.998 -1.544
262 2HG MET 40 1HG MET 40 -7.980 -3.283 0.128
263 1HE MET 40 1HE MET 40 -7.668 0.296 1.577
264 2HE MET 40 2HE MET 40 -6.382 -0.727 0.927
265 3HE MET 40 3HE MET 40 -7.658 -1.433 1.922
266 H GLN 41 H GLN 41 -5.196 -3.491 -3.785
267 HA GLN 41 HA GLN 41 -2.314 -3.807 -3.211
268 1HB GLN 41 2HB GLN 41 -3.793 -4.427 -5.779
269 2HB GLN 41 1HB GLN 41 -2.044 -4.463 -5.594
270 1HG GLN 41 2HG GLN 41 -2.222 -6.250 -3.974
271 2HG GLN 41 1HG GLN 41 -3.982 -6.181 -4.066
272 1HE2 GLN 41 1HE2 GLN 41 -1.060 -7.180 -5.638
273 2HE2 GLN 41 2HE2 GLN 41 -1.819 -8.123 -6.878
274 H ILE 42 H ILE 42 -1.405 -1.882 -3.161
275 HA ILE 42 HA ILE 42 -2.506 0.263 -4.847
276 HB ILE 42 HB ILE 42 -2.553 0.730 -2.460
277 1HG1 ILE 42 2HG1 ILE 42 -1.282 2.858 -2.458
278 2HG1 ILE 42 1HG1 ILE 42 -0.462 2.337 -3.931
279 1HG2 ILE 42 1HG2 ILE 42 -0.497 0.959 -1.156
280 2HG2 ILE 42 2HG2 ILE 42 0.428 0.330 -2.520
281 3HG2 ILE 42 3HG2 ILE 42 -0.762 -0.693 -1.712
282 1HD1 ILE 42 1HD1 ILE 42 -3.421 2.736 -3.629
283 2HD1 ILE 42 2HD1 ILE 42 -2.573 2.243 -5.096
284 3HD1 ILE 42 3HD1 ILE 42 -2.300 3.849 -4.416
285 H ASN 43 H ASN 43 -1.148 1.455 -6.222
286 HA ASN 43 HA ASN 43 0.992 0.016 -7.354
287 1HB ASN 43 2HB ASN 43 -0.391 1.625 -8.615
288 2HB ASN 43 1HB ASN 43 0.323 2.947 -7.696
289 1HD2 ASN 43 1HD2 ASN 43 1.171 3.935 -9.503
290 2HD2 ASN 43 2HD2 ASN 43 2.515 3.281 -10.380
291 H ARG 44 H ARG 44 3.188 0.333 -7.366
292 HA ARG 44 HA ARG 44 4.439 1.006 -4.961
293 1HB ARG 44 2HB ARG 44 6.561 0.935 -6.342
294 2HB ARG 44 1HB ARG 44 5.552 -0.503 -6.401
295 1HG ARG 44 2HG ARG 44 4.632 0.252 -8.548
296 2HG ARG 44 1HG ARG 44 5.696 1.656 -8.493
297 1HD ARG 44 2HD ARG 44 7.602 0.382 -8.826
298 2HD ARG 44 1HD ARG 44 6.829 -1.103 -8.270
299 HE ARG 44 HE ARG 44 5.415 -0.579 -10.461
300 1HH1 ARG 44 1HH1 ARG 44 8.884 -0.440 -9.994
301 2HH1 ARG 44 2HH1 ARG 44 9.250 -0.951 -11.613
302 1HH2 ARG 44 1HH2 ARG 44 5.896 -1.284 -12.571
303 2HH2 ARG 44 2HH2 ARG 44 7.548 -1.441 -13.069
304 H ASP 45 H ASP 45 3.630 3.009 -7.686
305 HA ASP 45 HA ASP 45 5.370 5.159 -6.851
306 1HB ASP 45 2HB ASP 45 3.323 4.879 -9.034
307 2HB ASP 45 1HB ASP 45 4.028 6.445 -8.638
308 H ASP 46 H ASP 46 2.413 3.996 -5.848
309 HA ASP 46 HA ASP 46 1.471 6.631 -5.008
310 1HB ASP 46 2HB ASP 46 0.141 3.946 -5.167
311 2HB ASP 46 1HB ASP 46 -0.540 5.227 -4.167
312 H VAL 47 H VAL 47 2.924 3.737 -3.764
313 HA VAL 47 HA VAL 47 2.597 4.612 -1.018
314 HB VAL 47 HB VAL 47 4.129 2.758 -0.437
315 1HG1 VAL 47 1HG1 VAL 47 1.742 2.345 -0.551
316 2HG1 VAL 47 2HG1 VAL 47 2.647 0.923 -1.074
317 3HG1 VAL 47 3HG1 VAL 47 1.874 1.968 -2.268
318 1HG2 VAL 47 1HG2 VAL 47 5.514 2.753 -2.442
319 2HG2 VAL 47 2HG2 VAL 47 4.140 2.194 -3.397
320 3HG2 VAL 47 3HG2 VAL 47 4.827 1.156 -2.145
321 H SER 48 H SER 48 4.627 4.975 0.328
322 HA SER 48 HA SER 48 6.839 6.072 -1.181
323 1HB SER 48 2HB SER 48 5.224 7.912 -1.204
324 2HB SER 48 1HB SER 48 5.108 7.854 0.553
325 HG SER 48 HG SER 48 7.584 8.157 0.294
326 H GLN 49 H GLN 49 5.633 6.683 2.127
327 HA GLN 49 HA GLN 49 8.381 6.140 2.997
328 1HB GLN 49 2HB GLN 49 6.235 7.861 4.229
329 2HB GLN 49 1HB GLN 49 7.811 7.574 4.951
330 1HG GLN 49 2HG GLN 49 7.127 9.115 2.482
331 2HG GLN 49 1HG GLN 49 8.032 9.633 3.902
332 1HE2 GLN 49 1HE2 GLN 49 10.160 8.778 4.209
333 2HE2 GLN 49 2HE2 GLN 49 11.098 8.284 2.829
334 H ILE 50 H ILE 50 8.721 4.304 3.977
335 HA ILE 50 HA ILE 50 6.871 3.410 6.062
336 HB ILE 50 HB ILE 50 8.110 1.388 4.203
337 1HG1 ILE 50 2HG1 ILE 50 5.334 2.569 3.914
338 2HG1 ILE 50 1HG1 ILE 50 6.683 2.890 2.830
339 1HG2 ILE 50 1HG2 ILE 50 6.312 -0.043 5.060
340 2HG2 ILE 50 2HG2 ILE 50 5.720 1.298 6.040
341 3HG2 ILE 50 3HG2 ILE 50 7.308 0.604 6.363
342 1HD1 ILE 50 1HD1 ILE 50 5.343 0.238 3.286
343 2HD1 ILE 50 2HD1 ILE 50 6.749 0.498 2.255
344 3HD1 ILE 50 3HD1 ILE 50 5.209 1.261 1.855
345 H ILE 51 H ILE 51 9.633 4.700 5.755
346 HA ILE 51 HA ILE 51 11.178 2.672 7.243
347 HB ILE 51 HB ILE 51 12.335 4.584 5.195
348 1HG1 ILE 51 2HG1 ILE 51 13.073 2.261 4.204
349 2HG1 ILE 51 1HG1 ILE 51 11.688 1.654 5.107
350 1HG2 ILE 51 1HG2 ILE 51 14.460 3.457 5.627
351 2HG2 ILE 51 2HG2 ILE 51 13.693 2.481 6.879
352 3HG2 ILE 51 3HG2 ILE 51 13.831 4.226 7.084
353 1HD1 ILE 51 1HD1 ILE 51 11.071 2.102 2.819
354 2HD1 ILE 51 2HD1 ILE 51 11.641 3.765 2.959
355 3HD1 ILE 51 3HD1 ILE 51 10.243 3.230 3.893
356 H GLU 52 H GLU 52 11.551 6.086 6.308
357 HA GLU 52 HA GLU 52 12.002 7.966 7.471
358 1HB GLU 52 2HB GLU 52 10.127 6.488 9.281
359 2HB GLU 52 1HB GLU 52 10.808 8.029 9.788
360 1HG GLU 52 2HG GLU 52 8.508 7.814 8.434
361 2HG GLU 52 1HG GLU 52 9.568 9.218 8.327
362 H ARG 53 H ARG 53 13.899 5.878 7.608
363 HA ARG 53 HA ARG 53 15.983 5.630 8.409
364 1HB ARG 53 2HB ARG 53 15.610 8.204 8.744
365 2HB ARG 53 1HB ARG 53 15.598 7.776 10.450
366 1HG ARG 53 2HG ARG 53 17.811 6.848 10.287
367 2HG ARG 53 1HG ARG 53 17.824 7.100 8.538
368 1HD ARG 53 2HD ARG 53 17.728 9.224 10.678
369 2HD ARG 53 1HD ARG 53 19.087 8.851 9.620
370 HE ARG 53 HE ARG 53 17.650 9.613 7.749
371 1HH1 ARG 53 1HH1 ARG 53 16.964 10.638 11.014
372 2HH1 ARG 53 2HH1 ARG 53 16.128 12.088 10.532
373 1HH2 ARG 53 1HH2 ARG 53 16.525 11.517 7.088
374 2HH2 ARG 53 2HH2 ARG 53 15.862 12.577 8.297
Start of MODEL 16
1 H ASP 4 H ASP 4 6.438 -1.900 11.468
2 HA ASP 4 HA ASP 4 4.334 -1.156 13.231
3 1HB ASP 4 2HB ASP 4 6.116 0.426 11.376
4 2HB ASP 4 1HB ASP 4 4.868 1.189 12.353
5 H TYR 5 H TYR 5 2.238 -1.079 12.746
6 HA TYR 5 HA TYR 5 1.439 -1.399 10.001
7 1HB TYR 5 2HB TYR 5 -0.880 -1.592 10.993
8 2HB TYR 5 1HB TYR 5 0.285 -2.809 11.489
9 HD1 TYR 5 HD2 TYR 5 1.282 -2.677 13.787
10 HD2 TYR 5 HD1 TYR 5 -1.930 -0.166 12.570
11 HE1 TYR 5 HE2 TYR 5 0.766 -2.204 16.144
12 HE2 TYR 5 HE1 TYR 5 -2.460 0.309 14.921
13 HH TYR 5 HH TYR 5 -0.350 -0.495 17.483
14 H VAL 6 H VAL 6 2.348 0.758 9.507
15 HA VAL 6 HA VAL 6 0.143 2.502 9.016
16 HB VAL 6 HB VAL 6 0.655 3.324 11.236
17 1HG1 VAL 6 1HG1 VAL 6 2.835 4.286 11.798
18 2HG1 VAL 6 2HG1 VAL 6 3.469 3.750 10.243
19 3HG1 VAL 6 3HG1 VAL 6 2.954 2.563 11.440
20 1HG2 VAL 6 1HG2 VAL 6 1.144 5.679 10.717
21 2HG2 VAL 6 2HG2 VAL 6 -0.030 4.977 9.603
22 3HG2 VAL 6 3HG2 VAL 6 1.644 5.203 9.095
23 H MET 7 H MET 7 0.437 3.446 7.084
24 HA MET 7 HA MET 7 3.171 3.528 6.004
25 1HB MET 7 2HB MET 7 2.138 1.518 5.148
26 2HB MET 7 1HB MET 7 0.710 2.415 4.656
27 1HG MET 7 2HG MET 7 2.019 3.619 2.999
28 2HG MET 7 1HG MET 7 3.472 2.759 3.509
29 1HE MET 7 1HE MET 7 -0.158 1.265 3.216
30 2HE MET 7 2HE MET 7 -0.161 0.682 1.553
31 3HE MET 7 3HE MET 7 -0.092 2.413 1.879
32 H ALA 8 H ALA 8 3.695 5.410 5.119
33 HA ALA 8 HA ALA 8 1.577 7.343 4.519
34 1HB ALA 8 1HB ALA 8 4.563 7.742 4.728
35 2HB ALA 8 2HB ALA 8 3.389 8.089 5.998
36 3HB ALA 8 3HB ALA 8 3.361 9.012 4.495
37 H THR 9 H THR 9 1.058 7.848 2.494
38 HA THR 9 HA THR 9 2.742 6.722 0.356
39 HB THR 9 HB THR 9 0.698 6.630 -1.025
40 HG1 THR 9 HG1 THR 9 -1.214 7.256 -0.245
41 1HG2 THR 9 1HG2 THR 9 1.439 4.656 0.221
42 2HG2 THR 9 2HG2 THR 9 -0.321 4.713 0.106
43 3HG2 THR 9 3HG2 THR 9 0.480 5.171 1.609
44 H LYS 10 H LYS 10 1.998 7.809 -1.827
45 HA LYS 10 HA LYS 10 3.059 10.113 -2.487
46 1HB LYS 10 2HB LYS 10 1.673 8.716 -3.968
47 2HB LYS 10 1HB LYS 10 0.226 9.357 -3.211
48 1HG LYS 10 2HG LYS 10 0.698 11.554 -4.076
49 2HG LYS 10 1HG LYS 10 2.231 10.993 -4.743
50 1HD LYS 10 2HD LYS 10 0.598 11.108 -6.513
51 2HD LYS 10 1HD LYS 10 0.984 9.421 -6.191
52 1HE LYS 10 2HE LYS 10 -1.464 10.878 -5.177
53 2HE LYS 10 1HE LYS 10 -1.431 9.809 -6.571
54 1HZ LYS 10 1HZ LYS 10 -2.200 8.430 -4.927
55 2HZ LYS 10 2HZ LYS 10 -1.263 9.140 -3.710
56 3HZ LYS 10 3HZ LYS 10 -0.538 8.100 -4.841
57 H ASP 11 H ASP 11 -0.218 10.004 -1.161
58 HA ASP 11 HA ASP 11 -0.692 12.782 -1.378
59 1HB ASP 11 2HB ASP 11 -2.134 10.702 0.272
60 2HB ASP 11 1HB ASP 11 -2.759 12.289 -0.159
61 H GLY 12 H GLY 12 1.215 11.161 0.815
62 1HA GLY 12 2HA GLY 12 2.182 11.850 2.798
63 2HA GLY 12 1HA GLY 12 1.307 13.370 2.645
64 H ARG 13 H ARG 13 -0.574 10.575 2.347
65 HA ARG 13 HA ARG 13 -1.896 11.146 4.864
66 1HB ARG 13 2HB ARG 13 -3.628 9.594 4.087
67 2HB ARG 13 1HB ARG 13 -3.289 10.807 2.861
68 1HG ARG 13 2HG ARG 13 -2.101 9.271 1.525
69 2HG ARG 13 1HG ARG 13 -2.028 8.082 2.823
70 1HD ARG 13 2HD ARG 13 -3.680 7.356 1.265
71 2HD ARG 13 1HD ARG 13 -4.514 7.915 2.710
72 HE ARG 13 HE ARG 13 -4.326 9.450 0.196
73 1HH1 ARG 13 1HH1 ARG 13 -5.979 8.606 3.158
74 2HH1 ARG 13 2HH1 ARG 13 -7.413 9.505 2.780
75 1HH2 ARG 13 1HH2 ARG 13 -6.228 10.607 -0.349
76 2HH2 ARG 13 2HH2 ARG 13 -7.556 10.646 0.775
77 H MET 14 H MET 14 -2.039 9.734 6.544
78 HA MET 14 HA MET 14 -0.107 7.537 6.556
79 1HB MET 14 2HB MET 14 -1.602 8.871 8.829
80 2HB MET 14 1HB MET 14 -0.447 7.559 9.018
81 1HG MET 14 2HG MET 14 0.186 10.273 7.880
82 2HG MET 14 1HG MET 14 0.500 9.762 9.539
83 1HE MET 14 1HE MET 14 2.708 10.981 7.573
84 2HE MET 14 2HE MET 14 4.075 9.918 7.907
85 3HE MET 14 3HE MET 14 3.062 10.494 9.231
86 H ILE 15 H ILE 15 -1.023 5.761 5.740
87 HA ILE 15 HA ILE 15 -3.811 5.153 6.244
88 HB ILE 15 HB ILE 15 -1.739 3.457 4.827
89 1HG1 ILE 15 2HG1 ILE 15 -3.739 5.418 3.678
90 2HG1 ILE 15 1HG1 ILE 15 -1.995 5.656 3.749
91 1HG2 ILE 15 1HG2 ILE 15 -3.673 2.177 5.555
92 2HG2 ILE 15 2HG2 ILE 15 -3.696 2.362 3.799
93 3HG2 ILE 15 3HG2 ILE 15 -4.757 3.352 4.804
94 1HD1 ILE 15 1HD1 ILE 15 -1.680 3.746 2.260
95 2HD1 ILE 15 2HD1 ILE 15 -2.695 4.990 1.528
96 3HD1 ILE 15 3HD1 ILE 15 -3.428 3.524 2.183
97 H LEU 16 H LEU 16 -4.338 4.349 8.152
98 HA LEU 16 HA LEU 16 -2.518 2.896 9.806
99 1HB LEU 16 2HB LEU 16 -5.493 3.359 10.032
100 2HB LEU 16 1HB LEU 16 -4.565 2.468 11.219
101 HG LEU 16 HG LEU 16 -4.850 4.616 12.115
102 1HD1 LEU 16 1HD1 LEU 16 -2.587 3.771 12.366
103 2HD1 LEU 16 2HD1 LEU 16 -2.593 5.530 12.241
104 3HD1 LEU 16 3HD1 LEU 16 -2.115 4.550 10.855
105 1HD2 LEU 16 1HD2 LEU 16 -4.337 6.685 10.935
106 2HD2 LEU 16 2HD2 LEU 16 -5.580 5.763 10.091
107 3HD2 LEU 16 3HD2 LEU 16 -3.922 5.768 9.489
108 H THR 17 H THR 17 -1.938 1.285 8.273
109 HA THR 17 HA THR 17 -3.786 -0.587 7.224
110 HB THR 17 HB THR 17 -1.788 -1.918 6.651
111 HG1 THR 17 HG1 THR 17 -0.740 -0.673 8.730
112 1HG2 THR 17 1HG2 THR 17 -1.269 1.013 6.157
113 2HG2 THR 17 2HG2 THR 17 -2.469 0.068 5.281
114 3HG2 THR 17 3HG2 THR 17 -0.760 -0.348 5.156
115 H ASP 18 H ASP 18 -4.088 -2.801 7.845
116 HA ASP 18 HA ASP 18 -4.007 -3.393 10.624
117 1HB ASP 18 2HB ASP 18 -5.504 -4.509 8.902
118 2HB ASP 18 1HB ASP 18 -4.088 -5.412 8.371
119 H GLY 19 H GLY 19 -1.934 -4.070 7.892
120 1HA GLY 19 2HA GLY 19 0.439 -3.442 8.855
121 2HA GLY 19 1HA GLY 19 0.231 -5.025 9.604
122 H LYS 20 H LYS 20 2.367 -4.540 7.722
123 HA LYS 20 HA LYS 20 3.309 -6.063 6.332
124 1HB LYS 20 2HB LYS 20 0.671 -7.472 6.590
125 2HB LYS 20 1HB LYS 20 2.019 -8.107 5.653
126 1HG LYS 20 2HG LYS 20 3.384 -7.845 7.806
127 2HG LYS 20 1HG LYS 20 1.821 -7.677 8.609
128 1HD LYS 20 2HD LYS 20 1.129 -9.851 7.789
129 2HD LYS 20 1HD LYS 20 2.634 -10.014 6.881
130 1HE LYS 20 2HE LYS 20 3.861 -9.845 9.048
131 2HE LYS 20 1HE LYS 20 2.302 -9.910 9.869
132 1HZ LYS 20 1HZ LYS 20 1.899 -12.068 8.890
133 2HZ LYS 20 2HZ LYS 20 3.358 -12.087 9.749
134 3HZ LYS 20 3HZ LYS 20 3.373 -12.003 8.054
135 HA PRO 21 HA PRO 21 1.719 -4.413 2.453
136 1HB PRO 21 2HB PRO 21 3.924 -3.066 1.736
137 2HB PRO 21 1HB PRO 21 2.754 -2.393 2.876
138 1HG PRO 21 2HG PRO 21 5.449 -3.514 3.374
139 2HG PRO 21 1HG PRO 21 4.558 -2.278 4.275
140 1HD PRO 21 2HD PRO 21 4.815 -5.037 4.921
141 2HD PRO 21 1HD PRO 21 3.800 -3.830 5.732
142 H GLU 22 H GLU 22 1.672 -6.216 1.208
143 HA GLU 22 HA GLU 22 4.141 -7.652 0.637
144 1HB GLU 22 2HB GLU 22 1.252 -8.222 -0.013
145 2HB GLU 22 1HB GLU 22 2.580 -9.214 -0.596
146 1HG GLU 22 2HG GLU 22 1.933 -8.707 2.300
147 2HG GLU 22 1HG GLU 22 1.498 -10.154 1.392
148 H ILE 23 H ILE 23 5.351 -6.732 -0.865
149 HA ILE 23 HA ILE 23 4.247 -5.122 -2.963
150 HB ILE 23 HB ILE 23 7.089 -6.087 -2.628
151 1HG1 ILE 23 2HG1 ILE 23 5.791 -3.509 -1.713
152 2HG1 ILE 23 1HG1 ILE 23 6.273 -4.830 -0.659
153 1HG2 ILE 23 1HG2 ILE 23 7.656 -4.168 -4.043
154 2HG2 ILE 23 2HG2 ILE 23 5.939 -3.794 -4.213
155 3HG2 ILE 23 3HG2 ILE 23 6.584 -5.294 -4.880
156 1HD1 ILE 23 1HD1 ILE 23 8.603 -4.477 -1.274
157 2HD1 ILE 23 2HD1 ILE 23 7.883 -3.011 -0.608
158 3HD1 ILE 23 3HD1 ILE 23 8.122 -3.163 -2.348
159 H ASP 24 H ASP 24 3.329 -5.951 -4.685
160 HA ASP 24 HA ASP 24 3.885 -8.647 -5.549
161 1HB ASP 24 2HB ASP 24 2.021 -6.526 -6.637
162 2HB ASP 24 1HB ASP 24 2.153 -8.157 -7.292
163 H ASP 25 H ASP 25 5.695 -8.969 -6.616
164 HA ASP 25 HA ASP 25 7.070 -7.027 -8.143
165 1HB ASP 25 2HB ASP 25 8.152 -8.981 -7.069
166 2HB ASP 25 1HB ASP 25 7.331 -10.044 -8.206
167 H ASP 26 H ASP 26 4.534 -9.204 -8.808
168 HA ASP 26 HA ASP 26 4.751 -9.625 -11.547
169 1HB ASP 26 2HB ASP 26 2.228 -9.315 -9.908
170 2HB ASP 26 1HB ASP 26 2.334 -10.068 -11.494
171 H THR 27 H THR 27 2.539 -7.334 -9.977
172 HA THR 27 HA THR 27 2.263 -5.941 -12.527
173 HB THR 27 HB THR 27 0.182 -6.606 -11.573
174 HG1 THR 27 HG1 THR 27 0.806 -3.900 -11.639
175 1HG2 THR 27 1HG2 THR 27 0.887 -6.921 -9.270
176 2HG2 THR 27 2HG2 THR 27 -0.555 -5.911 -9.344
177 3HG2 THR 27 3HG2 THR 27 1.020 -5.174 -9.059
178 H GLY 28 H GLY 28 3.999 -5.573 -9.668
179 1HA GLY 28 2HA GLY 28 5.331 -3.811 -8.990
180 2HA GLY 28 1HA GLY 28 4.710 -2.870 -10.343
181 H LEU 29 H LEU 29 2.813 -4.477 -7.869
182 HA LEU 29 HA LEU 29 1.980 -1.846 -6.859
183 1HB LEU 29 2HB LEU 29 0.247 -4.310 -7.111
184 2HB LEU 29 1HB LEU 29 -0.260 -2.766 -6.456
185 HG LEU 29 HG LEU 29 0.400 -3.421 -9.324
186 1HD1 LEU 29 1HD1 LEU 29 -1.825 -4.054 -8.615
187 2HD1 LEU 29 2HD1 LEU 29 -1.902 -2.675 -9.709
188 3HD1 LEU 29 3HD1 LEU 29 -2.106 -2.436 -7.976
189 1HD2 LEU 29 1HD2 LEU 29 -0.177 -0.721 -8.120
190 2HD2 LEU 29 2HD2 LEU 29 -0.084 -1.082 -9.843
191 3HD2 LEU 29 3HD2 LEU 29 1.349 -1.248 -8.831
192 H VAL 30 H VAL 30 0.770 -2.260 -4.620
193 HA VAL 30 HA VAL 30 2.344 -4.219 -3.075
194 HB VAL 30 HB VAL 30 1.639 -1.414 -2.183
195 1HG1 VAL 30 1HG1 VAL 30 2.962 -1.941 -0.188
196 2HG1 VAL 30 2HG1 VAL 30 3.153 -3.597 -0.763
197 3HG1 VAL 30 3HG1 VAL 30 1.554 -2.990 -0.342
198 1HG2 VAL 30 1HG2 VAL 30 4.062 -1.034 -2.162
199 2HG2 VAL 30 2HG2 VAL 30 3.462 -1.394 -3.780
200 3HG2 VAL 30 3HG2 VAL 30 4.311 -2.636 -2.857
201 H SER 31 H SER 31 0.982 -5.690 -2.320
202 HA SER 31 HA SER 31 -1.789 -5.100 -1.776
203 1HB SER 31 2HB SER 31 -0.137 -7.590 -1.270
204 2HB SER 31 1HB SER 31 -1.880 -7.475 -1.034
205 HG SER 31 HG SER 31 -0.443 -7.193 -3.485
206 H TYR 32 H TYR 32 -2.020 -3.728 -0.086
207 HA TYR 32 HA TYR 32 -0.677 -4.398 2.440
208 1HB TYR 32 2HB TYR 32 -0.989 -2.182 3.137
209 2HB TYR 32 1HB TYR 32 -0.620 -2.017 1.426
210 HD1 TYR 32 HD1 TYR 32 -2.691 -1.799 -0.173
211 HD2 TYR 32 HD2 TYR 32 -2.858 -1.164 4.027
212 HE1 TYR 32 HE1 TYR 32 -4.758 -0.495 -0.456
213 HE2 TYR 32 HE2 TYR 32 -4.921 0.142 3.758
214 HH TYR 32 HH TYR 32 -6.793 0.096 1.066
215 H HIS 33 H HIS 33 -2.217 -3.732 4.389
216 HA HIS 33 HA HIS 33 -4.821 -5.005 3.876
217 1HB HIS 33 2HB HIS 33 -3.066 -5.184 6.338
218 2HB HIS 33 1HB HIS 33 -4.729 -5.756 6.277
219 HD1 HIS 33 HD1 HIS 33 -1.272 -6.715 5.434
220 HD2 HIS 33 HD2 HIS 33 -5.123 -8.007 4.526
221 HE1 HIS 33 HE1 HIS 33 -1.003 -9.009 4.437
222 HE2 HIS 33 HE2 HIS 33 -3.338 -9.738 3.806
223 H ASP 34 H ASP 34 -6.479 -3.722 4.137
224 HA ASP 34 HA ASP 34 -6.474 -1.090 4.995
225 1HB ASP 34 2HB ASP 34 -8.438 -3.030 4.235
226 2HB ASP 34 1HB ASP 34 -9.021 -2.138 5.635
227 H GLN 35 H GLN 35 -7.887 -0.216 6.742
228 HA GLN 35 HA GLN 35 -7.158 -0.994 9.347
229 1HB GLN 35 2HB GLN 35 -9.634 0.512 8.451
230 2HB GLN 35 1HB GLN 35 -8.958 0.503 10.073
231 1HG GLN 35 2HG GLN 35 -7.061 1.734 9.396
232 2HG GLN 35 1HG GLN 35 -7.440 1.509 7.688
233 1HE2 GLN 35 1HE2 GLN 35 -8.301 3.174 10.625
234 2HE2 GLN 35 2HE2 GLN 35 -9.238 4.424 9.870
235 H GLN 36 H GLN 36 -9.689 -1.910 7.159
236 HA GLN 36 HA GLN 36 -11.138 -3.499 9.089
237 1HB GLN 36 2HB GLN 36 -11.438 -3.463 6.081
238 2HB GLN 36 1HB GLN 36 -12.612 -4.037 7.255
239 1HG GLN 36 2HG GLN 36 -11.744 -1.203 6.774
240 2HG GLN 36 1HG GLN 36 -13.324 -1.912 6.459
241 1HE2 GLN 36 1HE2 GLN 36 -12.531 0.383 8.104
242 2HE2 GLN 36 2HE2 GLN 36 -13.164 0.065 9.680
243 H GLY 37 H GLY 37 -8.401 -3.916 7.150
244 1HA GLY 37 2HA GLY 37 -7.027 -5.859 7.424
245 2HA GLY 37 1HA GLY 37 -8.486 -6.814 7.641
246 H ASN 38 H ASN 38 -9.091 -4.768 5.151
247 HA ASN 38 HA ASN 38 -9.304 -6.734 3.194
248 1HB ASN 38 2HB ASN 38 -8.949 -3.755 2.813
249 2HB ASN 38 1HB ASN 38 -9.501 -4.873 1.575
250 1HD2 ASN 38 1HD2 ASN 38 -10.723 -2.507 2.835
251 2HD2 ASN 38 2HD2 ASN 38 -12.274 -3.053 3.386
252 H ALA 39 H ALA 39 -7.851 -7.725 1.919
253 HA ALA 39 HA ALA 39 -5.144 -6.726 1.708
254 1HB ALA 39 1HB ALA 39 -5.517 -9.132 1.839
255 2HB ALA 39 2HB ALA 39 -4.750 -8.705 0.309
256 3HB ALA 39 3HB ALA 39 -6.473 -9.077 0.359
257 H MET 40 H MET 40 -4.953 -4.928 0.499
258 HA MET 40 HA MET 40 -6.237 -4.908 -2.153
259 1HB MET 40 2HB MET 40 -6.194 -2.719 -0.081
260 2HB MET 40 1HB MET 40 -6.566 -2.420 -1.776
261 1HG MET 40 2HG MET 40 -8.518 -3.683 -1.697
262 2HG MET 40 1HG MET 40 -8.040 -4.488 -0.205
263 1HE MET 40 1HE MET 40 -8.700 -0.821 -1.605
264 2HE MET 40 2HE MET 40 -7.427 -0.630 -0.392
265 3HE MET 40 3HE MET 40 -9.041 0.014 -0.088
266 H GLN 41 H GLN 41 -5.153 -3.777 -3.794
267 HA GLN 41 HA GLN 41 -2.275 -3.580 -3.249
268 1HB GLN 41 2HB GLN 41 -3.715 -3.895 -5.887
269 2HB GLN 41 1HB GLN 41 -1.971 -3.892 -5.662
270 1HG GLN 41 2HG GLN 41 -2.125 -5.927 -4.343
271 2HG GLN 41 1HG GLN 41 -3.877 -5.926 -4.525
272 1HE2 GLN 41 1HE2 GLN 41 -1.702 -5.002 -7.082
273 2HE2 GLN 41 2HE2 GLN 41 -1.986 -6.375 -8.093
274 H ILE 42 H ILE 42 -1.379 -1.638 -3.145
275 HA ILE 42 HA ILE 42 -2.596 0.559 -4.687
276 HB ILE 42 HB ILE 42 -1.481 2.141 -3.303
277 1HG1 ILE 42 2HG1 ILE 42 -0.170 -0.031 -1.677
278 2HG1 ILE 42 1HG1 ILE 42 0.628 0.665 -3.085
279 1HG2 ILE 42 1HG2 ILE 42 -2.373 1.632 -1.078
280 2HG2 ILE 42 2HG2 ILE 42 -2.618 -0.042 -1.575
281 3HG2 ILE 42 3HG2 ILE 42 -3.520 1.253 -2.365
282 1HD1 ILE 42 1HD1 ILE 42 1.309 1.696 -0.960
283 2HD1 ILE 42 2HD1 ILE 42 -0.353 2.239 -0.723
284 3HD1 ILE 42 3HD1 ILE 42 0.587 2.841 -2.090
285 H ASN 43 H ASN 43 -0.674 2.204 -5.279
286 HA ASN 43 HA ASN 43 0.867 0.757 -7.208
287 1HB ASN 43 2HB ASN 43 -0.177 3.064 -7.499
288 2HB ASN 43 1HB ASN 43 1.129 3.679 -6.498
289 1HD2 ASN 43 1HD2 ASN 43 3.096 4.019 -7.382
290 2HD2 ASN 43 2HD2 ASN 43 3.486 3.709 -9.046
291 H ARG 44 H ARG 44 2.911 0.036 -7.022
292 HA ARG 44 HA ARG 44 4.286 -0.121 -4.613
293 1HB ARG 44 2HB ARG 44 4.778 -1.597 -6.453
294 2HB ARG 44 1HB ARG 44 5.322 -0.255 -7.444
295 1HG ARG 44 2HG ARG 44 7.118 0.090 -5.654
296 2HG ARG 44 1HG ARG 44 6.678 -1.527 -5.100
297 1HD ARG 44 2HD ARG 44 8.552 -1.621 -6.656
298 2HD ARG 44 1HD ARG 44 7.128 -2.418 -7.328
299 HE ARG 44 HE ARG 44 7.394 0.352 -8.097
300 1HH1 ARG 44 1HH1 ARG 44 8.233 -2.961 -8.901
301 2HH1 ARG 44 2HH1 ARG 44 8.558 -2.593 -10.574
302 1HH2 ARG 44 1HH2 ARG 44 7.776 0.816 -10.283
303 2HH2 ARG 44 2HH2 ARG 44 8.292 -0.452 -11.357
304 H ASP 45 H ASP 45 4.666 2.200 -7.244
305 HA ASP 45 HA ASP 45 6.840 3.544 -5.878
306 1HB ASP 45 2HB ASP 45 5.431 4.140 -8.487
307 2HB ASP 45 1HB ASP 45 6.826 5.026 -7.878
308 H ASP 46 H ASP 46 3.712 3.511 -5.268
309 HA ASP 46 HA ASP 46 3.355 6.405 -4.932
310 1HB ASP 46 2HB ASP 46 1.524 4.772 -5.780
311 2HB ASP 46 1HB ASP 46 1.393 4.274 -4.097
312 H VAL 47 H VAL 47 4.269 3.567 -3.292
313 HA VAL 47 HA VAL 47 3.680 4.323 -0.620
314 HB VAL 47 HB VAL 47 5.988 2.546 -1.392
315 1HG1 VAL 47 1HG1 VAL 47 5.652 3.149 0.981
316 2HG1 VAL 47 2HG1 VAL 47 5.490 1.419 0.672
317 3HG1 VAL 47 3HG1 VAL 47 4.051 2.410 0.907
318 1HG2 VAL 47 1HG2 VAL 47 4.090 1.827 -2.739
319 2HG2 VAL 47 2HG2 VAL 47 3.084 1.755 -1.294
320 3HG2 VAL 47 3HG2 VAL 47 4.446 0.650 -1.474
321 H SER 48 H SER 48 4.473 6.117 0.254
322 HA SER 48 HA SER 48 6.875 7.298 -0.839
323 1HB SER 48 2HB SER 48 4.897 8.691 -0.513
324 2HB SER 48 1HB SER 48 4.908 8.332 1.212
325 HG SER 48 HG SER 48 6.732 9.881 -0.309
326 H GLN 49 H GLN 49 5.717 6.262 2.377
327 HA GLN 49 HA GLN 49 8.383 5.572 3.187
328 1HB GLN 49 2HB GLN 49 8.279 8.098 3.421
329 2HB GLN 49 1HB GLN 49 7.066 7.850 4.668
330 1HG GLN 49 2HG GLN 49 9.005 8.096 5.889
331 2HG GLN 49 1HG GLN 49 8.845 6.343 5.775
332 1HE2 GLN 49 1HE2 GLN 49 10.298 5.183 4.488
333 2HE2 GLN 49 2HE2 GLN 49 11.765 5.890 3.891
334 H ILE 50 H ILE 50 8.300 4.046 4.752
335 HA ILE 50 HA ILE 50 5.775 3.730 6.221
336 HB ILE 50 HB ILE 50 8.109 1.810 5.964
337 1HG1 ILE 50 2HG1 ILE 50 6.232 0.360 4.923
338 2HG1 ILE 50 1HG1 ILE 50 5.362 1.876 4.731
339 1HG2 ILE 50 1HG2 ILE 50 7.111 1.625 8.159
340 2HG2 ILE 50 2HG2 ILE 50 6.703 0.210 7.188
341 3HG2 ILE 50 3HG2 ILE 50 5.505 1.479 7.444
342 1HD1 ILE 50 1HD1 ILE 50 7.176 2.741 3.351
343 2HD1 ILE 50 2HD1 ILE 50 6.511 1.246 2.690
344 3HD1 ILE 50 3HD1 ILE 50 8.052 1.224 3.550
345 H ILE 51 H ILE 51 5.811 4.999 7.984
346 HA ILE 51 HA ILE 51 8.241 5.619 9.366
347 HB ILE 51 HB ILE 51 6.709 6.680 11.072
348 1HG1 ILE 51 2HG1 ILE 51 4.581 6.054 9.014
349 2HG1 ILE 51 1HG1 ILE 51 4.731 5.248 10.574
350 1HG2 ILE 51 1HG2 ILE 51 6.450 7.526 8.191
351 2HG2 ILE 51 2HG2 ILE 51 7.750 7.961 9.300
352 3HG2 ILE 51 3HG2 ILE 51 6.111 8.549 9.587
353 1HD1 ILE 51 1HD1 ILE 51 4.373 7.404 11.693
354 2HD1 ILE 51 2HD1 ILE 51 3.019 6.946 10.661
355 3HD1 ILE 51 3HD1 ILE 51 4.167 8.169 10.118
356 H GLU 52 H GLU 52 9.247 4.211 10.584
357 HA GLU 52 HA GLU 52 7.652 2.287 12.128
358 1HB GLU 52 2HB GLU 52 9.567 0.686 11.771
359 2HB GLU 52 1HB GLU 52 8.627 1.066 10.334
360 1HG GLU 52 2HG GLU 52 10.330 2.587 9.569
361 2HG GLU 52 1HG GLU 52 11.252 2.351 11.053
362 H ARG 53 H ARG 53 8.027 2.181 14.222
363 HA ARG 53 HA ARG 53 9.032 2.259 16.249
364 1HB ARG 53 2HB ARG 53 10.872 1.054 15.191
365 2HB ARG 53 1HB ARG 53 11.573 2.563 14.634
366 1HG ARG 53 2HG ARG 53 12.091 3.221 16.875
367 2HG ARG 53 1HG ARG 53 11.215 1.837 17.531
368 1HD ARG 53 2HD ARG 53 13.657 1.508 17.544
369 2HD ARG 53 1HD ARG 53 12.818 0.311 16.560
370 HE ARG 53 HE ARG 53 13.564 1.547 14.592
371 1HH1 ARG 53 1HH1 ARG 53 15.185 2.243 17.633
372 2HH1 ARG 53 2HH1 ARG 53 16.659 2.764 16.867
373 1HH2 ARG 53 1HH2 ARG 53 15.518 2.206 13.602
374 2HH2 ARG 53 2HH2 ARG 53 16.837 2.749 14.591
Start of MODEL 17
1 H ASP 4 H ASP 4 -2.914 0.570 15.588
2 HA ASP 4 HA ASP 4 -0.490 1.785 16.173
3 1HB ASP 4 2HB ASP 4 -1.288 -0.469 16.939
4 2HB ASP 4 1HB ASP 4 -0.874 -1.092 15.346
5 H TYR 5 H TYR 5 -1.424 0.048 13.214
6 HA TYR 5 HA TYR 5 1.135 0.853 12.038
7 1HB TYR 5 2HB TYR 5 -0.880 -1.145 10.999
8 2HB TYR 5 1HB TYR 5 0.704 -0.814 10.311
9 HD1 TYR 5 HD2 TYR 5 2.729 -1.617 11.405
10 HD2 TYR 5 HD1 TYR 5 -1.116 -2.456 13.004
11 HE1 TYR 5 HE2 TYR 5 3.708 -3.372 12.824
12 HE2 TYR 5 HE1 TYR 5 -0.155 -4.211 14.422
13 HH TYR 5 HH TYR 5 1.862 -5.697 14.396
14 H VAL 6 H VAL 6 1.261 2.302 10.476
15 HA VAL 6 HA VAL 6 -1.100 2.983 8.916
16 HB VAL 6 HB VAL 6 -1.104 4.641 10.704
17 1HG1 VAL 6 1HG1 VAL 6 1.711 5.282 9.840
18 2HG1 VAL 6 2HG1 VAL 6 1.219 4.550 11.368
19 3HG1 VAL 6 3HG1 VAL 6 0.759 6.211 10.999
20 1HG2 VAL 6 1HG2 VAL 6 -0.153 5.789 8.078
21 2HG2 VAL 6 2HG2 VAL 6 -0.973 6.695 9.349
22 3HG2 VAL 6 3HG2 VAL 6 -1.816 5.392 8.514
23 H MET 7 H MET 7 -0.641 3.253 6.833
24 HA MET 7 HA MET 7 2.177 3.074 6.056
25 1HB MET 7 2HB MET 7 0.536 1.399 5.172
26 2HB MET 7 1HB MET 7 -0.298 2.707 4.351
27 1HG MET 7 2HG MET 7 2.606 2.225 3.844
28 2HG MET 7 1HG MET 7 1.386 1.235 3.052
29 1HE MET 7 1HE MET 7 -0.440 2.167 1.405
30 2HE MET 7 2HE MET 7 -0.626 3.872 0.998
31 3HE MET 7 3HE MET 7 -0.988 3.311 2.631
32 H ALA 8 H ALA 8 3.182 4.863 5.528
33 HA ALA 8 HA ALA 8 1.657 7.256 4.868
34 1HB ALA 8 1HB ALA 8 3.772 8.437 5.195
35 2HB ALA 8 2HB ALA 8 4.603 6.898 5.415
36 3HB ALA 8 3HB ALA 8 3.391 7.421 6.584
37 H THR 9 H THR 9 1.461 7.977 2.851
38 HA THR 9 HA THR 9 2.952 6.607 0.740
39 HB THR 9 HB THR 9 1.383 7.754 -0.794
40 HG1 THR 9 HG1 THR 9 -0.029 8.570 1.544
41 1HG2 THR 9 1HG2 THR 9 0.830 5.522 0.023
42 2HG2 THR 9 2HG2 THR 9 -0.632 6.494 -0.156
43 3HG2 THR 9 3HG2 THR 9 0.058 6.222 1.445
44 H LYS 10 H LYS 10 3.761 7.906 -1.094
45 HA LYS 10 HA LYS 10 5.151 10.293 -0.249
46 1HB LYS 10 2HB LYS 10 6.130 8.657 -1.866
47 2HB LYS 10 1HB LYS 10 4.881 9.097 -3.023
48 1HG LYS 10 2HG LYS 10 5.752 11.313 -3.223
49 2HG LYS 10 1HG LYS 10 6.871 11.048 -1.885
50 1HD LYS 10 2HD LYS 10 8.020 10.905 -4.033
51 2HD LYS 10 1HD LYS 10 8.042 9.351 -3.195
52 1HE LYS 10 2HE LYS 10 6.097 8.648 -4.577
53 2HE LYS 10 1HE LYS 10 6.235 10.160 -5.473
54 1HZ LYS 10 1HZ LYS 10 8.414 9.518 -6.226
55 2HZ LYS 10 2HZ LYS 10 7.322 8.275 -6.575
56 3HZ LYS 10 3HZ LYS 10 8.386 8.119 -5.266
57 H ASP 11 H ASP 11 2.173 9.438 -1.638
58 HA ASP 11 HA ASP 11 1.415 11.812 -2.937
59 1HB ASP 11 2HB ASP 11 0.106 9.804 -3.214
60 2HB ASP 11 1HB ASP 11 -0.205 9.710 -1.485
61 H GLY 12 H GLY 12 1.139 10.753 0.424
62 1HA GLY 12 2HA GLY 12 1.619 12.615 2.045
63 2HA GLY 12 1HA GLY 12 0.384 13.510 1.166
64 H ARG 13 H ARG 13 -1.125 10.946 0.813
65 HA ARG 13 HA ARG 13 -2.805 11.200 3.084
66 1HB ARG 13 2HB ARG 13 -4.020 9.261 2.068
67 2HB ARG 13 1HB ARG 13 -3.791 10.624 0.980
68 1HG ARG 13 2HG ARG 13 -1.864 9.450 -0.026
69 2HG ARG 13 1HG ARG 13 -2.207 8.064 1.010
70 1HD ARG 13 2HD ARG 13 -4.347 7.751 -0.022
71 2HD ARG 13 1HD ARG 13 -4.171 9.245 -0.942
72 HE ARG 13 HE ARG 13 -2.105 7.293 -1.440
73 1HH1 ARG 13 1HH1 ARG 13 -5.254 8.499 -2.365
74 2HH1 ARG 13 2HH1 ARG 13 -5.212 7.781 -3.952
75 1HH2 ARG 13 1HH2 ARG 13 -1.996 6.391 -3.541
76 2HH2 ARG 13 2HH2 ARG 13 -3.338 6.627 -4.630
77 H MET 14 H MET 14 -3.142 9.858 4.793
78 HA MET 14 HA MET 14 -1.086 7.797 5.275
79 1HB MET 14 2HB MET 14 -2.750 9.358 7.267
80 2HB MET 14 1HB MET 14 -1.565 8.127 7.677
81 1HG MET 14 2HG MET 14 -0.962 10.721 6.273
82 2HG MET 14 1HG MET 14 -0.723 10.407 7.990
83 1HE MET 14 1HE MET 14 1.528 11.493 5.958
84 2HE MET 14 2HE MET 14 2.924 10.571 6.519
85 3HE MET 14 3HE MET 14 1.794 11.262 7.686
86 H ILE 15 H ILE 15 -1.791 5.763 5.168
87 HA ILE 15 HA ILE 15 -4.684 5.295 5.482
88 HB ILE 15 HB ILE 15 -2.635 3.674 3.962
89 1HG1 ILE 15 2HG1 ILE 15 -4.987 5.325 3.006
90 2HG1 ILE 15 1HG1 ILE 15 -3.293 5.787 2.865
91 1HG2 ILE 15 1HG2 ILE 15 -5.604 3.213 4.256
92 2HG2 ILE 15 2HG2 ILE 15 -4.330 2.245 4.997
93 3HG2 ILE 15 3HG2 ILE 15 -4.500 2.282 3.243
94 1HD1 ILE 15 1HD1 ILE 15 -4.116 4.947 0.760
95 2HD1 ILE 15 2HD1 ILE 15 -4.624 3.442 1.526
96 3HD1 ILE 15 3HD1 ILE 15 -2.910 3.842 1.419
97 H LEU 16 H LEU 16 -5.346 4.151 7.195
98 HA LEU 16 HA LEU 16 -3.509 3.039 9.065
99 1HB LEU 16 2HB LEU 16 -6.508 2.789 8.811
100 2HB LEU 16 1HB LEU 16 -5.594 2.061 10.116
101 HG LEU 16 HG LEU 16 -6.488 4.038 11.008
102 1HD1 LEU 16 1HD1 LEU 16 -3.657 4.629 10.170
103 2HD1 LEU 16 2HD1 LEU 16 -4.168 3.730 11.599
104 3HD1 LEU 16 3HD1 LEU 16 -4.537 5.449 11.461
105 1HD2 LEU 16 1HD2 LEU 16 -6.325 6.227 9.958
106 2HD2 LEU 16 2HD2 LEU 16 -7.174 5.084 8.916
107 3HD2 LEU 16 3HD2 LEU 16 -5.497 5.514 8.575
108 H THR 17 H THR 17 -2.895 0.952 9.383
109 HA THR 17 HA THR 17 -3.925 -1.097 7.562
110 HB THR 17 HB THR 17 -1.471 -1.792 7.166
111 HG1 THR 17 HG1 THR 17 -1.159 0.685 8.425
112 1HG2 THR 17 1HG2 THR 17 -2.870 -0.855 5.379
113 2HG2 THR 17 2HG2 THR 17 -1.212 -0.270 5.248
114 3HG2 THR 17 3HG2 THR 17 -2.467 0.778 5.908
115 H ASP 18 H ASP 18 -3.150 -3.307 8.222
116 HA ASP 18 HA ASP 18 -2.449 -3.473 11.055
117 1HB ASP 18 2HB ASP 18 -4.055 -5.128 10.025
118 2HB ASP 18 1HB ASP 18 -2.715 -5.741 9.058
119 H GLY 19 H GLY 19 -1.057 -2.975 8.146
120 1HA GLY 19 2HA GLY 19 1.237 -2.210 8.184
121 2HA GLY 19 1HA GLY 19 1.611 -3.564 9.246
122 H LYS 20 H LYS 20 3.318 -3.613 7.279
123 HA LYS 20 HA LYS 20 4.144 -5.334 6.055
124 1HB LYS 20 2HB LYS 20 1.494 -6.664 6.579
125 2HB LYS 20 1HB LYS 20 2.896 -7.445 5.861
126 1HG LYS 20 2HG LYS 20 4.155 -6.841 7.966
127 2HG LYS 20 1HG LYS 20 2.596 -6.388 8.658
128 1HD LYS 20 2HD LYS 20 1.782 -8.685 8.139
129 2HD LYS 20 1HD LYS 20 3.424 -9.102 7.640
130 1HE LYS 20 2HE LYS 20 4.222 -8.467 9.898
131 2HE LYS 20 1HE LYS 20 2.548 -8.184 10.377
132 1HZ LYS 20 1HZ LYS 20 2.161 -10.573 9.658
133 2HZ LYS 20 2HZ LYS 20 3.024 -10.328 11.094
134 3HZ LYS 20 3HZ LYS 20 3.852 -10.742 9.671
135 HA PRO 21 HA PRO 21 2.021 -3.909 2.239
136 1HB PRO 21 2HB PRO 21 4.526 -2.653 1.522
137 2HB PRO 21 1HB PRO 21 2.951 -1.901 1.774
138 1HG PRO 21 2HG PRO 21 5.090 -1.527 3.420
139 2HG PRO 21 1HG PRO 21 3.405 -1.378 3.944
140 1HD PRO 21 2HD PRO 21 5.308 -3.657 4.320
141 2HD PRO 21 1HD PRO 21 4.102 -2.995 5.445
142 H GLU 22 H GLU 22 2.005 -5.851 1.240
143 HA GLU 22 HA GLU 22 4.450 -7.261 0.627
144 1HB GLU 22 2HB GLU 22 2.308 -8.400 1.256
145 2HB GLU 22 1HB GLU 22 1.630 -7.862 -0.273
146 1HG GLU 22 2HG GLU 22 3.261 -9.158 -1.491
147 2HG GLU 22 1HG GLU 22 4.037 -9.642 0.019
148 H ILE 23 H ILE 23 5.677 -6.425 -0.934
149 HA ILE 23 HA ILE 23 4.510 -4.861 -3.052
150 HB ILE 23 HB ILE 23 7.401 -5.704 -2.788
151 1HG1 ILE 23 2HG1 ILE 23 6.036 -3.198 -1.765
152 2HG1 ILE 23 1HG1 ILE 23 6.600 -4.526 -0.755
153 1HG2 ILE 23 1HG2 ILE 23 6.747 -4.871 -4.999
154 2HG2 ILE 23 2HG2 ILE 23 7.828 -3.739 -4.186
155 3HG2 ILE 23 3HG2 ILE 23 6.096 -3.410 -4.256
156 1HD1 ILE 23 1HD1 ILE 23 8.322 -2.739 -2.460
157 2HD1 ILE 23 2HD1 ILE 23 8.894 -4.076 -1.460
158 3HD1 ILE 23 3HD1 ILE 23 8.151 -2.666 -0.705
159 H ASP 24 H ASP 24 3.503 -5.866 -4.607
160 HA ASP 24 HA ASP 24 4.221 -8.497 -5.527
161 1HB ASP 24 2HB ASP 24 1.890 -7.936 -5.439
162 2HB ASP 24 1HB ASP 24 2.145 -6.475 -6.386
163 H ASP 25 H ASP 25 5.362 -9.022 -7.331
164 HA ASP 25 HA ASP 25 6.502 -6.763 -8.850
165 1HB ASP 25 2HB ASP 25 8.075 -8.239 -7.548
166 2HB ASP 25 1HB ASP 25 7.625 -9.565 -8.615
167 H ASP 26 H ASP 26 4.015 -8.674 -9.168
168 HA ASP 26 HA ASP 26 4.465 -9.640 -11.879
169 1HB ASP 26 2HB ASP 26 3.179 -11.078 -10.422
170 2HB ASP 26 1HB ASP 26 2.067 -9.772 -10.039
171 H THR 27 H THR 27 2.409 -7.305 -10.186
172 HA THR 27 HA THR 27 2.077 -5.878 -12.750
173 HB THR 27 HB THR 27 -0.079 -6.461 -11.847
174 HG1 THR 27 HG1 THR 27 0.692 -3.753 -11.707
175 1HG2 THR 27 1HG2 THR 27 0.579 -6.785 -9.502
176 2HG2 THR 27 2HG2 THR 27 -0.842 -5.749 -9.647
177 3HG2 THR 27 3HG2 THR 27 0.738 -5.038 -9.316
178 H GLY 28 H GLY 28 3.468 -5.782 -9.621
179 1HA GLY 28 2HA GLY 28 5.067 -4.254 -8.878
180 2HA GLY 28 1HA GLY 28 4.637 -3.192 -10.213
181 H LEU 29 H LEU 29 2.386 -4.587 -7.902
182 HA LEU 29 HA LEU 29 1.840 -1.864 -6.934
183 1HB LEU 29 2HB LEU 29 -0.056 -4.211 -7.072
184 2HB LEU 29 1HB LEU 29 -0.449 -2.620 -6.456
185 HG LEU 29 HG LEU 29 0.141 -3.384 -9.309
186 1HD1 LEU 29 1HD1 LEU 29 -2.110 -2.506 -9.698
187 2HD1 LEU 29 2HD1 LEU 29 -2.280 -2.190 -7.973
188 3HD1 LEU 29 3HD1 LEU 29 -2.117 -3.847 -8.552
189 1HD2 LEU 29 1HD2 LEU 29 -0.243 -0.621 -8.163
190 2HD2 LEU 29 2HD2 LEU 29 -0.160 -1.029 -9.877
191 3HD2 LEU 29 3HD2 LEU 29 1.249 -1.270 -8.844
192 H VAL 30 H VAL 30 1.172 -1.670 -4.709
193 HA VAL 30 HA VAL 30 2.624 -3.592 -3.023
194 HB VAL 30 HB VAL 30 1.783 -0.751 -2.439
195 1HG1 VAL 30 1HG1 VAL 30 3.159 -0.955 -0.428
196 2HG1 VAL 30 2HG1 VAL 30 3.456 -2.652 -0.808
197 3HG1 VAL 30 3HG1 VAL 30 1.824 -2.108 -0.420
198 1HG2 VAL 30 1HG2 VAL 30 4.524 -1.882 -2.966
199 2HG2 VAL 30 2HG2 VAL 30 4.139 -0.204 -2.585
200 3HG2 VAL 30 3HG2 VAL 30 3.580 -0.915 -4.099
201 H SER 31 H SER 31 1.355 -5.061 -2.107
202 HA SER 31 HA SER 31 -1.446 -4.550 -1.632
203 1HB SER 31 2HB SER 31 0.189 -6.976 -0.874
204 2HB SER 31 1HB SER 31 -1.567 -6.878 -0.983
205 HG SER 31 HG SER 31 -1.173 -7.603 -2.937
206 H TYR 32 H TYR 32 -2.055 -3.442 0.090
207 HA TYR 32 HA TYR 32 -0.559 -3.793 2.604
208 1HB TYR 32 2HB TYR 32 -1.346 -1.579 3.271
209 2HB TYR 32 1HB TYR 32 -0.493 -1.486 1.738
210 HD1 TYR 32 HD1 TYR 32 -2.162 -1.792 -0.380
211 HD2 TYR 32 HD2 TYR 32 -3.272 -0.319 3.454
212 HE1 TYR 32 HE1 TYR 32 -4.081 -0.631 -1.385
213 HE2 TYR 32 HE2 TYR 32 -5.193 0.839 2.451
214 HH TYR 32 HH TYR 32 -6.235 0.274 -0.744
215 H HIS 33 H HIS 33 -1.765 -3.986 4.544
216 HA HIS 33 HA HIS 33 -4.372 -5.240 4.049
217 1HB HIS 33 2HB HIS 33 -2.441 -5.580 6.360
218 2HB HIS 33 1HB HIS 33 -3.994 -6.399 6.216
219 HD1 HIS 33 HD1 HIS 33 -0.469 -6.648 5.210
220 HD2 HIS 33 HD2 HIS 33 -4.107 -8.271 4.015
221 HE1 HIS 33 HE1 HIS 33 0.113 -8.630 3.772
222 HE2 HIS 33 HE2 HIS 33 -2.102 -9.475 2.906
223 H ASP 34 H ASP 34 -6.128 -4.304 4.707
224 HA ASP 34 HA ASP 34 -6.247 -1.761 5.880
225 1HB ASP 34 2HB ASP 34 -8.105 -3.739 4.905
226 2HB ASP 34 1HB ASP 34 -8.702 -3.024 6.395
227 H GLN 35 H GLN 35 -7.161 -1.091 7.869
228 HA GLN 35 HA GLN 35 -6.614 -2.698 10.182
229 1HB GLN 35 2HB GLN 35 -6.531 -0.206 10.184
230 2HB GLN 35 1HB GLN 35 -8.263 -0.168 9.908
231 1HG GLN 35 2HG GLN 35 -7.824 0.275 12.214
232 2HG GLN 35 1HG GLN 35 -8.601 -1.301 12.070
233 1HE2 GLN 35 1HE2 GLN 35 -5.230 -0.753 11.310
234 2HE2 GLN 35 2HE2 GLN 35 -4.584 -1.644 12.647
235 H GLN 36 H GLN 36 -9.089 -2.455 7.911
236 HA GLN 36 HA GLN 36 -11.205 -3.532 9.562
237 1HB GLN 36 2HB GLN 36 -11.098 -3.226 6.553
238 2HB GLN 36 1HB GLN 36 -12.533 -3.523 7.524
239 1HG GLN 36 2HG GLN 36 -12.278 -1.341 8.570
240 2HG GLN 36 1HG GLN 36 -10.831 -1.043 7.615
241 1HE2 GLN 36 1HE2 GLN 36 -13.332 0.440 7.735
242 2HE2 GLN 36 2HE2 GLN 36 -13.941 0.480 6.115
243 H GLY 37 H GLY 37 -8.484 -4.786 8.150
244 1HA GLY 37 2HA GLY 37 -7.820 -7.022 8.051
245 2HA GLY 37 1HA GLY 37 -9.491 -7.503 8.322
246 H ASN 38 H ASN 38 -8.391 -5.284 5.838
247 HA ASN 38 HA ASN 38 -9.357 -7.175 3.796
248 1HB ASN 38 2HB ASN 38 -9.027 -4.166 3.660
249 2HB ASN 38 1HB ASN 38 -9.598 -5.180 2.343
250 1HD2 ASN 38 1HD2 ASN 38 -10.779 -2.949 3.986
251 2HD2 ASN 38 2HD2 ASN 38 -12.318 -3.568 4.489
252 H ALA 39 H ALA 39 -8.172 -7.196 1.742
253 HA ALA 39 HA ALA 39 -5.370 -6.327 2.012
254 1HB ALA 39 1HB ALA 39 -4.704 -8.210 0.613
255 2HB ALA 39 2HB ALA 39 -6.382 -8.744 0.517
256 3HB ALA 39 3HB ALA 39 -5.536 -8.770 2.064
257 H MET 40 H MET 40 -5.163 -4.564 0.813
258 HA MET 40 HA MET 40 -6.386 -4.550 -1.867
259 1HB MET 40 2HB MET 40 -6.038 -2.199 0.009
260 2HB MET 40 1HB MET 40 -6.618 -2.090 -1.649
261 1HG MET 40 2HG MET 40 -8.492 -3.587 -1.018
262 2HG MET 40 1HG MET 40 -7.953 -3.490 0.655
263 1HE MET 40 1HE MET 40 -8.582 0.245 1.547
264 2HE MET 40 2HE MET 40 -7.075 -0.526 1.048
265 3HE MET 40 3HE MET 40 -8.163 -1.354 2.164
266 H GLN 41 H GLN 41 -5.211 -2.779 -3.282
267 HA GLN 41 HA GLN 41 -2.319 -3.024 -2.776
268 1HB GLN 41 2HB GLN 41 -3.714 -3.635 -5.392
269 2HB GLN 41 1HB GLN 41 -1.970 -3.577 -5.165
270 1HG GLN 41 2HG GLN 41 -2.127 -5.432 -3.571
271 2HG GLN 41 1HG GLN 41 -3.868 -5.496 -3.828
272 1HE2 GLN 41 1HE2 GLN 41 -1.590 -4.852 -6.388
273 2HE2 GLN 41 2HE2 GLN 41 -1.811 -6.345 -7.226
274 H ILE 42 H ILE 42 -1.242 -1.174 -3.031
275 HA ILE 42 HA ILE 42 -2.494 0.976 -4.617
276 HB ILE 42 HB ILE 42 -1.106 2.581 -3.457
277 1HG1 ILE 42 2HG1 ILE 42 -0.075 0.478 -1.590
278 2HG1 ILE 42 1HG1 ILE 42 0.753 0.784 -3.117
279 1HG2 ILE 42 1HG2 ILE 42 -3.229 2.037 -2.411
280 2HG2 ILE 42 2HG2 ILE 42 -2.011 2.417 -1.192
281 3HG2 ILE 42 3HG2 ILE 42 -2.460 0.740 -1.495
282 1HD1 ILE 42 1HD1 ILE 42 1.067 3.100 -2.515
283 2HD1 ILE 42 2HD1 ILE 42 1.730 2.038 -1.267
284 3HD1 ILE 42 3HD1 ILE 42 0.183 2.849 -1.009
285 H ASN 43 H ASN 43 -0.494 2.536 -5.320
286 HA ASN 43 HA ASN 43 0.953 0.899 -7.216
287 1HB ASN 43 2HB ASN 43 -0.153 3.013 -7.888
288 2HB ASN 43 1HB ASN 43 0.949 3.898 -6.846
289 1HD2 ASN 43 1HD2 ASN 43 1.608 5.056 -8.685
290 2HD2 ASN 43 2HD2 ASN 43 2.778 4.384 -9.772
291 H ARG 44 H ARG 44 3.228 0.917 -7.473
292 HA ARG 44 HA ARG 44 4.617 0.555 -5.052
293 1HB ARG 44 2HB ARG 44 5.258 -0.711 -6.973
294 2HB ARG 44 1HB ARG 44 5.567 0.746 -7.907
295 1HG ARG 44 2HG ARG 44 7.425 1.279 -6.339
296 2HG ARG 44 1HG ARG 44 7.161 -0.288 -5.575
297 1HD ARG 44 2HD ARG 44 8.991 -0.228 -7.293
298 2HD ARG 44 1HD ARG 44 7.748 -1.451 -7.558
299 HE ARG 44 HE ARG 44 6.880 -0.147 -9.347
300 1HH1 ARG 44 1HH1 ARG 44 9.819 1.196 -7.978
301 2HH1 ARG 44 2HH1 ARG 44 10.227 2.096 -9.405
302 1HH2 ARG 44 1HH2 ARG 44 7.391 1.038 -11.218
303 2HH2 ARG 44 2HH2 ARG 44 8.829 2.021 -11.249
304 H ASP 45 H ASP 45 4.717 3.260 -7.382
305 HA ASP 45 HA ASP 45 6.729 4.546 -5.720
306 1HB ASP 45 2HB ASP 45 6.928 6.217 -7.430
307 2HB ASP 45 1HB ASP 45 6.897 4.641 -8.209
308 H ASP 46 H ASP 46 3.547 4.197 -5.437
309 HA ASP 46 HA ASP 46 2.911 6.925 -4.652
310 1HB ASP 46 2HB ASP 46 1.205 5.475 -5.756
311 2HB ASP 46 1HB ASP 46 1.249 4.409 -4.357
312 H VAL 47 H VAL 47 3.686 3.824 -3.242
313 HA VAL 47 HA VAL 47 3.154 4.554 -0.533
314 HB VAL 47 HB VAL 47 3.205 2.197 -1.360
315 1HG1 VAL 47 1HG1 VAL 47 5.350 1.059 -1.614
316 2HG1 VAL 47 2HG1 VAL 47 6.188 2.598 -1.417
317 3HG1 VAL 47 3HG1 VAL 47 5.143 2.335 -2.813
318 1HG2 VAL 47 1HG2 VAL 47 3.346 2.630 1.021
319 2HG2 VAL 47 2HG2 VAL 47 5.099 2.798 0.904
320 3HG2 VAL 47 3HG2 VAL 47 4.339 1.239 0.585
321 H SER 48 H SER 48 4.629 5.148 1.082
322 HA SER 48 HA SER 48 7.264 6.005 0.097
323 1HB SER 48 2HB SER 48 5.961 7.958 0.626
324 2HB SER 48 1HB SER 48 5.479 7.283 2.181
325 HG SER 48 HG SER 48 7.127 8.538 2.760
326 H GLN 49 H GLN 49 5.870 5.616 3.371
327 HA GLN 49 HA GLN 49 7.814 3.517 3.941
328 1HB GLN 49 2HB GLN 49 7.712 6.091 5.539
329 2HB GLN 49 1HB GLN 49 8.683 4.679 5.937
330 1HG GLN 49 2HG GLN 49 9.930 4.978 3.836
331 2HG GLN 49 1HG GLN 49 8.979 6.422 3.500
332 1HE2 GLN 49 1HE2 GLN 49 10.091 5.542 6.698
333 2HE2 GLN 49 2HE2 GLN 49 11.252 6.819 6.851
334 H ILE 50 H ILE 50 7.311 2.297 5.817
335 HA ILE 50 HA ILE 50 4.546 2.415 6.653
336 HB ILE 50 HB ILE 50 6.759 0.631 7.707
337 1HG1 ILE 50 2HG1 ILE 50 5.432 -1.111 6.293
338 2HG1 ILE 50 1HG1 ILE 50 4.827 0.292 5.423
339 1HG2 ILE 50 1HG2 ILE 50 4.949 -0.762 8.560
340 2HG2 ILE 50 2HG2 ILE 50 3.764 0.388 7.943
341 3HG2 ILE 50 3HG2 ILE 50 4.866 0.866 9.234
342 1HD1 ILE 50 1HD1 ILE 50 7.096 0.905 4.809
343 2HD1 ILE 50 2HD1 ILE 50 6.723 -0.741 4.296
344 3HD1 ILE 50 3HD1 ILE 50 7.723 -0.467 5.723
345 H ILE 51 H ILE 51 4.020 3.968 8.013
346 HA ILE 51 HA ILE 51 4.063 5.570 9.579
347 HB ILE 51 HB ILE 51 4.553 3.347 10.998
348 1HG1 ILE 51 2HG1 ILE 51 4.723 6.153 12.120
349 2HG1 ILE 51 1HG1 ILE 51 3.232 5.331 11.675
350 1HG2 ILE 51 1HG2 ILE 51 6.982 3.505 10.847
351 2HG2 ILE 51 2HG2 ILE 51 6.437 3.684 12.514
352 3HG2 ILE 51 3HG2 ILE 51 6.933 5.103 11.591
353 1HD1 ILE 51 1HD1 ILE 51 5.144 4.477 13.835
354 2HD1 ILE 51 2HD1 ILE 51 3.659 3.641 13.384
355 3HD1 ILE 51 3HD1 ILE 51 3.584 5.265 14.070
356 H GLU 52 H GLU 52 5.484 7.198 10.718
357 HA GLU 52 HA GLU 52 7.347 8.090 8.743
358 1HB GLU 52 2HB GLU 52 6.478 9.290 11.367
359 2HB GLU 52 1HB GLU 52 7.563 10.086 10.233
360 1HG GLU 52 2HG GLU 52 5.849 10.116 8.543
361 2HG GLU 52 1HG GLU 52 4.766 9.192 9.583
362 H ARG 53 H ARG 53 9.237 7.175 8.627
363 HA ARG 53 HA ARG 53 11.437 6.825 9.050
364 1HB ARG 53 2HB ARG 53 11.007 8.190 11.707
365 2HB ARG 53 1HB ARG 53 12.536 7.950 10.873
366 1HG ARG 53 2HG ARG 53 11.774 9.433 9.073
367 2HG ARG 53 1HG ARG 53 10.261 9.689 9.944
368 1HD ARG 53 2HD ARG 53 11.715 10.467 11.888
369 2HD ARG 53 1HD ARG 53 13.035 10.537 10.720
370 HE ARG 53 HE ARG 53 10.575 11.984 10.083
371 1HH1 ARG 53 1HH1 ARG 53 13.940 12.074 11.069
372 2HH1 ARG 53 2HH1 ARG 53 14.073 13.801 10.882
373 1HH2 ARG 53 1HH2 ARG 53 10.750 14.214 9.801
374 2HH2 ARG 53 2HH2 ARG 53 12.255 15.026 10.137
Start of MODEL 18
1 H ASP 4 H ASP 4 2.860 -1.514 17.056
2 HA ASP 4 HA ASP 4 0.444 -0.832 15.620
3 1HB ASP 4 2HB ASP 4 1.154 0.512 17.562
4 2HB ASP 4 1HB ASP 4 2.656 0.916 16.739
5 H TYR 5 H TYR 5 0.335 -0.386 13.495
6 HA TYR 5 HA TYR 5 2.872 0.015 12.059
7 1HB TYR 5 2HB TYR 5 0.477 -1.520 11.054
8 2HB TYR 5 1HB TYR 5 1.974 -1.246 10.176
9 HD1 TYR 5 HD2 TYR 5 4.117 -2.274 11.134
10 HD2 TYR 5 HD1 TYR 5 0.218 -3.376 12.427
11 HE1 TYR 5 HE2 TYR 5 5.010 -4.396 12.002
12 HE2 TYR 5 HE1 TYR 5 1.098 -5.500 13.294
13 HH TYR 5 HH TYR 5 3.032 -6.991 12.863
14 H VAL 6 H VAL 6 2.727 1.228 10.101
15 HA VAL 6 HA VAL 6 0.290 2.528 9.362
16 HB VAL 6 HB VAL 6 0.995 3.869 11.332
17 1HG1 VAL 6 1HG1 VAL 6 2.952 5.323 11.182
18 2HG1 VAL 6 2HG1 VAL 6 3.405 4.554 9.662
19 3HG1 VAL 6 3HG1 VAL 6 3.405 3.620 11.158
20 1HG2 VAL 6 1HG2 VAL 6 -0.327 4.880 9.555
21 2HG2 VAL 6 2HG2 VAL 6 1.151 5.328 8.703
22 3HG2 VAL 6 3HG2 VAL 6 0.782 6.051 10.269
23 H MET 7 H MET 7 0.446 3.506 7.330
24 HA MET 7 HA MET 7 3.065 3.420 6.008
25 1HB MET 7 2HB MET 7 1.820 1.317 5.524
26 2HB MET 7 1HB MET 7 0.518 2.275 4.837
27 1HG MET 7 2HG MET 7 3.321 2.406 3.778
28 2HG MET 7 1HG MET 7 2.173 1.183 3.246
29 1HE MET 7 1HE MET 7 -0.074 1.718 1.943
30 2HE MET 7 2HE MET 7 -0.636 3.357 1.607
31 3HE MET 7 3HE MET 7 -0.563 2.772 3.269
32 H ALA 8 H ALA 8 3.438 5.391 5.265
33 HA ALA 8 HA ALA 8 1.154 7.079 4.496
34 1HB ALA 8 1HB ALA 8 2.633 8.984 4.803
35 2HB ALA 8 2HB ALA 8 3.987 7.905 5.140
36 3HB ALA 8 3HB ALA 8 2.622 7.983 6.254
37 H THR 9 H THR 9 0.820 7.460 2.395
38 HA THR 9 HA THR 9 2.730 6.442 0.481
39 HB THR 9 HB THR 9 1.073 7.012 -1.222
40 HG1 THR 9 HG1 THR 9 -0.567 8.315 -0.832
41 1HG2 THR 9 1HG2 THR 9 -0.192 5.693 1.180
42 2HG2 THR 9 2HG2 THR 9 0.828 4.894 -0.017
43 3HG2 THR 9 3HG2 THR 9 -0.741 5.549 -0.491
44 H LYS 10 H LYS 10 3.066 7.872 -1.544
45 HA LYS 10 HA LYS 10 4.477 10.204 -0.661
46 1HB LYS 10 2HB LYS 10 5.301 8.676 -2.434
47 2HB LYS 10 1HB LYS 10 3.978 9.190 -3.468
48 1HG LYS 10 2HG LYS 10 4.933 11.196 -3.932
49 2HG LYS 10 1HG LYS 10 5.773 11.283 -2.383
50 1HD LYS 10 2HD LYS 10 7.286 10.945 -4.331
51 2HD LYS 10 1HD LYS 10 7.406 9.682 -3.107
52 1HE LYS 10 2HE LYS 10 5.850 8.303 -4.499
53 2HE LYS 10 1HE LYS 10 5.970 9.535 -5.754
54 1HZ LYS 10 1HZ LYS 10 8.302 9.131 -5.956
55 2HZ LYS 10 2HZ LYS 10 7.512 7.636 -6.057
56 3HZ LYS 10 3HZ LYS 10 8.299 8.084 -4.626
57 H ASP 11 H ASP 11 1.292 9.706 -1.239
58 HA ASP 11 HA ASP 11 0.576 12.174 -2.507
59 1HB ASP 11 2HB ASP 11 -1.089 10.439 -0.665
60 2HB ASP 11 1HB ASP 11 -1.694 11.687 -1.750
61 H GLY 12 H GLY 12 1.125 11.063 0.763
62 1HA GLY 12 2HA GLY 12 1.810 12.731 2.424
63 2HA GLY 12 1HA GLY 12 0.592 13.799 1.740
64 H ARG 13 H ARG 13 -0.818 10.897 1.626
65 HA ARG 13 HA ARG 13 -2.360 11.402 4.027
66 1HB ARG 13 2HB ARG 13 -3.849 9.623 3.184
67 2HB ARG 13 1HB ARG 13 -3.577 10.881 1.985
68 1HG ARG 13 2HG ARG 13 -1.858 9.405 0.942
69 2HG ARG 13 1HG ARG 13 -2.353 8.135 2.060
70 1HD ARG 13 2HD ARG 13 -4.153 9.505 0.063
71 2HD ARG 13 1HD ARG 13 -3.418 7.920 -0.152
72 HE ARG 13 HE ARG 13 -5.017 8.169 2.230
73 1HH1 ARG 13 1HH1 ARG 13 -5.017 7.378 -1.180
74 2HH1 ARG 13 2HH1 ARG 13 -6.475 6.439 -1.083
75 1HH2 ARG 13 1HH2 ARG 13 -6.937 6.900 2.351
76 2HH2 ARG 13 2HH2 ARG 13 -7.554 6.167 0.899
77 H MET 14 H MET 14 -2.416 10.148 5.823
78 HA MET 14 HA MET 14 -0.335 8.080 5.996
79 1HB MET 14 2HB MET 14 -0.218 10.010 7.569
80 2HB MET 14 1HB MET 14 -1.771 9.517 8.234
81 1HG MET 14 2HG MET 14 -0.809 7.403 8.950
82 2HG MET 14 1HG MET 14 0.744 7.866 8.256
83 1HE MET 14 1HE MET 14 0.872 10.966 9.016
84 2HE MET 14 2HE MET 14 2.241 9.870 9.188
85 3HE MET 14 3HE MET 14 1.756 10.899 10.539
86 H ILE 15 H ILE 15 -1.113 6.132 5.590
87 HA ILE 15 HA ILE 15 -3.892 5.497 6.259
88 HB ILE 15 HB ILE 15 -1.897 4.053 4.501
89 1HG1 ILE 15 2HG1 ILE 15 -4.348 5.676 3.776
90 2HG1 ILE 15 1HG1 ILE 15 -2.681 6.205 3.582
91 1HG2 ILE 15 1HG2 ILE 15 -4.818 3.465 4.968
92 2HG2 ILE 15 2HG2 ILE 15 -3.453 2.476 5.486
93 3HG2 ILE 15 3HG2 ILE 15 -3.792 2.680 3.768
94 1HD1 ILE 15 1HD1 ILE 15 -3.942 3.860 2.184
95 2HD1 ILE 15 2HD1 ILE 15 -2.290 4.438 1.964
96 3HD1 ILE 15 3HD1 ILE 15 -3.653 5.449 1.479
97 H LEU 16 H LEU 16 -4.447 3.977 7.719
98 HA LEU 16 HA LEU 16 -2.356 2.765 9.327
99 1HB LEU 16 2HB LEU 16 -5.370 2.701 9.532
100 2HB LEU 16 1HB LEU 16 -4.318 1.794 10.600
101 HG LEU 16 HG LEU 16 -4.945 3.728 11.792
102 1HD1 LEU 16 1HD1 LEU 16 -2.212 4.251 10.631
103 2HD1 LEU 16 2HD1 LEU 16 -2.576 3.169 11.975
104 3HD1 LEU 16 3HD1 LEU 16 -2.841 4.905 12.143
105 1HD2 LEU 16 1HD2 LEU 16 -4.676 6.010 10.922
106 2HD2 LEU 16 2HD2 LEU 16 -5.815 5.062 9.965
107 3HD2 LEU 16 3HD2 LEU 16 -4.181 5.344 9.365
108 H THR 17 H THR 17 -1.534 0.839 8.898
109 HA THR 17 HA THR 17 -3.014 -0.920 7.048
110 HB THR 17 HB THR 17 -0.662 -1.649 6.307
111 HG1 THR 17 HG1 THR 17 0.255 -0.382 8.177
112 1HG2 THR 17 1HG2 THR 17 -1.531 1.180 5.686
113 2HG2 THR 17 2HG2 THR 17 -2.167 -0.269 4.913
114 3HG2 THR 17 3HG2 THR 17 -0.474 0.174 4.697
115 H ASP 18 H ASP 18 -3.130 -3.063 7.550
116 HA ASP 18 HA ASP 18 -1.932 -4.208 9.849
117 1HB ASP 18 2HB ASP 18 -3.778 -5.351 8.734
118 2HB ASP 18 1HB ASP 18 -2.848 -5.473 7.247
119 H GLY 19 H GLY 19 0.205 -4.409 10.165
120 1HA GLY 19 2HA GLY 19 1.904 -3.236 8.241
121 2HA GLY 19 1HA GLY 19 2.435 -4.012 9.726
122 H LYS 20 H LYS 20 3.768 -4.119 7.104
123 HA LYS 20 HA LYS 20 4.999 -5.793 6.151
124 1HB LYS 20 2HB LYS 20 3.312 -7.634 7.832
125 2HB LYS 20 1HB LYS 20 4.453 -8.236 6.638
126 1HG LYS 20 2HG LYS 20 6.287 -7.150 7.806
127 2HG LYS 20 1HG LYS 20 5.159 -6.462 8.977
128 1HD LYS 20 2HD LYS 20 4.634 -8.612 9.852
129 2HD LYS 20 1HD LYS 20 5.452 -9.428 8.519
130 1HE LYS 20 2HE LYS 20 6.849 -9.565 10.463
131 2HE LYS 20 1HE LYS 20 7.600 -8.459 9.318
132 1HZ LYS 20 1HZ LYS 20 7.763 -7.527 11.482
133 2HZ LYS 20 2HZ LYS 20 6.114 -7.744 11.786
134 3HZ LYS 20 3HZ LYS 20 6.615 -6.613 10.636
135 HA PRO 21 HA PRO 21 1.560 -5.992 3.146
136 1HB PRO 21 2HB PRO 21 2.314 -4.035 1.501
137 2HB PRO 21 1HB PRO 21 1.537 -3.678 3.046
138 1HG PRO 21 2HG PRO 21 4.404 -3.467 2.277
139 2HG PRO 21 1HG PRO 21 3.456 -2.450 3.372
140 1HD PRO 21 2HD PRO 21 5.192 -4.531 4.113
141 2HD PRO 21 1HD PRO 21 4.007 -3.724 5.156
142 H GLU 22 H GLU 22 1.549 -6.575 0.886
143 HA GLU 22 HA GLU 22 4.002 -8.000 0.135
144 1HB GLU 22 2HB GLU 22 1.143 -8.313 -0.802
145 2HB GLU 22 1HB GLU 22 2.497 -9.256 -1.410
146 1HG GLU 22 2HG GLU 22 1.648 -9.207 1.475
147 2HG GLU 22 1HG GLU 22 1.085 -10.398 0.304
148 H ILE 23 H ILE 23 5.212 -6.437 -0.905
149 HA ILE 23 HA ILE 23 4.013 -4.962 -3.095
150 HB ILE 23 HB ILE 23 6.931 -5.122 -2.323
151 1HG1 ILE 23 2HG1 ILE 23 4.724 -3.243 -1.521
152 2HG1 ILE 23 1HG1 ILE 23 5.890 -4.073 -0.500
153 1HG2 ILE 23 1HG2 ILE 23 6.620 -4.500 -4.647
154 2HG2 ILE 23 2HG2 ILE 23 7.166 -3.106 -3.712
155 3HG2 ILE 23 3HG2 ILE 23 5.471 -3.246 -4.180
156 1HD1 ILE 23 1HD1 ILE 23 6.531 -1.826 -2.400
157 2HD1 ILE 23 2HD1 ILE 23 7.669 -2.640 -1.323
158 3HD1 ILE 23 3HD1 ILE 23 6.351 -1.678 -0.650
159 H ASP 24 H ASP 24 3.407 -6.417 -4.647
160 HA ASP 24 HA ASP 24 5.343 -8.329 -5.642
161 1HB ASP 24 2HB ASP 24 2.905 -8.867 -5.632
162 2HB ASP 24 1HB ASP 24 2.648 -7.576 -6.801
163 H ASP 25 H ASP 25 7.031 -7.338 -6.571
164 HA ASP 25 HA ASP 25 6.740 -4.839 -7.958
165 1HB ASP 25 2HB ASP 25 8.784 -5.850 -6.599
166 2HB ASP 25 1HB ASP 25 9.221 -6.500 -8.175
167 H ASP 26 H ASP 26 6.312 -8.049 -8.780
168 HA ASP 26 HA ASP 26 7.201 -8.083 -11.467
169 1HB ASP 26 2HB ASP 26 6.750 -10.142 -10.224
170 2HB ASP 26 1HB ASP 26 5.048 -9.713 -10.099
171 H THR 27 H THR 27 3.929 -7.671 -10.069
172 HA THR 27 HA THR 27 2.991 -6.535 -12.581
173 HB THR 27 HB THR 27 1.425 -7.946 -11.362
174 HG1 THR 27 HG1 THR 27 0.915 -5.455 -12.160
175 1HG2 THR 27 1HG2 THR 27 1.600 -5.908 -9.147
176 2HG2 THR 27 2HG2 THR 27 2.215 -7.559 -9.083
177 3HG2 THR 27 3HG2 THR 27 0.480 -7.269 -9.208
178 H GLY 28 H GLY 28 4.266 -5.484 -9.563
179 1HA GLY 28 2HA GLY 28 5.058 -3.340 -9.092
180 2HA GLY 28 1HA GLY 28 4.153 -2.721 -10.466
181 H LEU 29 H LEU 29 2.603 -4.776 -8.139
182 HA LEU 29 HA LEU 29 1.103 -2.429 -7.171
183 1HB LEU 29 2HB LEU 29 0.026 -5.238 -7.381
184 2HB LEU 29 1HB LEU 29 -0.871 -3.780 -7.006
185 HG LEU 29 HG LEU 29 0.306 -4.568 -9.668
186 1HD1 LEU 29 1HD1 LEU 29 -1.775 -5.673 -9.147
187 2HD1 LEU 29 2HD1 LEU 29 -2.035 -4.462 -10.403
188 3HD1 LEU 29 3HD1 LEU 29 -2.525 -4.128 -8.742
189 1HD2 LEU 29 1HD2 LEU 29 -0.546 -2.500 -10.571
190 2HD2 LEU 29 2HD2 LEU 29 0.609 -2.154 -9.284
191 3HD2 LEU 29 3HD2 LEU 29 -1.122 -2.003 -8.979
192 H VAL 30 H VAL 30 0.621 -2.300 -5.015
193 HA VAL 30 HA VAL 30 2.125 -4.149 -3.288
194 HB VAL 30 HB VAL 30 1.256 -1.312 -2.723
195 1HG1 VAL 30 1HG1 VAL 30 2.786 -1.512 -0.776
196 2HG1 VAL 30 2HG1 VAL 30 2.961 -3.229 -1.136
197 3HG1 VAL 30 3HG1 VAL 30 1.387 -2.582 -0.677
198 1HG2 VAL 30 1HG2 VAL 30 2.980 -1.414 -4.438
199 2HG2 VAL 30 2HG2 VAL 30 3.976 -2.421 -3.386
200 3HG2 VAL 30 3HG2 VAL 30 3.621 -0.756 -2.935
201 H SER 31 H SER 31 0.789 -5.645 -2.511
202 HA SER 31 HA SER 31 -1.986 -5.068 -1.955
203 1HB SER 31 2HB SER 31 -0.408 -7.565 -1.333
204 2HB SER 31 1HB SER 31 -2.159 -7.419 -1.409
205 HG SER 31 HG SER 31 -1.360 -6.569 -3.717
206 H TYR 32 H TYR 32 -2.668 -4.238 -0.104
207 HA TYR 32 HA TYR 32 -1.127 -4.766 2.344
208 1HB TYR 32 2HB TYR 32 -1.360 -2.496 3.073
209 2HB TYR 32 1HB TYR 32 -0.685 -2.460 1.449
210 HD1 TYR 32 HD1 TYR 32 -2.548 -2.250 -0.473
211 HD2 TYR 32 HD2 TYR 32 -3.055 -1.022 3.563
212 HE1 TYR 32 HE1 TYR 32 -4.326 -0.700 -1.176
213 HE2 TYR 32 HE2 TYR 32 -4.829 0.537 2.875
214 HH TYR 32 HH TYR 32 -6.166 0.526 -0.334
215 H HIS 33 H HIS 33 -2.375 -4.691 4.291
216 HA HIS 33 HA HIS 33 -5.211 -5.254 3.788
217 1HB HIS 33 2HB HIS 33 -3.431 -6.048 6.101
218 2HB HIS 33 1HB HIS 33 -5.159 -6.374 6.017
219 HD1 HIS 33 HD1 HIS 33 -1.863 -7.576 4.795
220 HD2 HIS 33 HD2 HIS 33 -5.899 -8.349 4.113
221 HE1 HIS 33 HE1 HIS 33 -1.940 -9.755 3.528
222 HE2 HIS 33 HE2 HIS 33 -4.397 -10.262 3.240
223 H ASP 34 H ASP 34 -6.768 -4.107 4.718
224 HA ASP 34 HA ASP 34 -6.220 -1.565 5.858
225 1HB ASP 34 2HB ASP 34 -8.551 -3.066 5.015
226 2HB ASP 34 1HB ASP 34 -8.851 -2.267 6.553
227 H GLN 35 H GLN 35 -7.020 -0.852 7.994
228 HA GLN 35 HA GLN 35 -6.325 -2.674 10.101
229 1HB GLN 35 2HB GLN 35 -6.067 -0.142 10.155
230 2HB GLN 35 1HB GLN 35 -7.806 -0.052 10.386
231 1HG GLN 35 2HG GLN 35 -6.708 0.143 12.505
232 2HG GLN 35 1HG GLN 35 -7.579 -1.387 12.439
233 1HE2 GLN 35 1HE2 GLN 35 -5.333 -0.576 14.110
234 2HE2 GLN 35 2HE2 GLN 35 -4.076 -1.727 13.812
235 H GLN 36 H GLN 36 -9.054 -2.070 8.240
236 HA GLN 36 HA GLN 36 -11.007 -3.083 10.114
237 1HB GLN 36 2HB GLN 36 -11.557 -1.395 8.363
238 2HB GLN 36 1HB GLN 36 -11.237 -2.608 7.131
239 1HG GLN 36 2HG GLN 36 -13.606 -2.406 7.482
240 2HG GLN 36 1HG GLN 36 -13.061 -3.985 8.044
241 1HE2 GLN 36 1HE2 GLN 36 -14.247 -0.855 8.978
242 2HE2 GLN 36 2HE2 GLN 36 -14.647 -1.266 10.614
243 H GLY 37 H GLY 37 -8.762 -4.351 7.862
244 1HA GLY 37 2HA GLY 37 -8.280 -6.719 7.925
245 2HA GLY 37 1HA GLY 37 -10.000 -7.009 8.134
246 H ASN 38 H ASN 38 -9.503 -4.594 5.866
247 HA ASN 38 HA ASN 38 -10.403 -6.259 3.715
248 1HB ASN 38 2HB ASN 38 -9.465 -3.378 3.729
249 2HB ASN 38 1HB ASN 38 -10.208 -4.185 2.352
250 1HD2 ASN 38 1HD2 ASN 38 -10.988 -1.853 4.025
251 2HD2 ASN 38 2HD2 ASN 38 -12.616 -2.196 4.526
252 H ALA 39 H ALA 39 -9.308 -6.695 1.747
253 HA ALA 39 HA ALA 39 -6.369 -6.480 1.916
254 1HB ALA 39 1HB ALA 39 -7.974 -8.568 0.442
255 2HB ALA 39 2HB ALA 39 -7.204 -8.802 2.011
256 3HB ALA 39 3HB ALA 39 -6.216 -8.496 0.582
257 H MET 40 H MET 40 -5.877 -4.720 0.752
258 HA MET 40 HA MET 40 -7.083 -4.471 -1.924
259 1HB MET 40 2HB MET 40 -6.476 -2.282 0.070
260 2HB MET 40 1HB MET 40 -6.868 -1.983 -1.620
261 1HG MET 40 2HG MET 40 -9.030 -3.040 -1.316
262 2HG MET 40 1HG MET 40 -8.647 -3.374 0.371
263 1HE MET 40 1HE MET 40 -8.325 -1.510 2.197
264 2HE MET 40 2HE MET 40 -8.481 0.219 1.888
265 3HE MET 40 3HE MET 40 -7.128 -0.680 1.204
266 H GLN 41 H GLN 41 -5.706 -2.778 -3.227
267 HA GLN 41 HA GLN 41 -2.852 -3.319 -2.808
268 1HB GLN 41 2HB GLN 41 -4.407 -3.879 -5.344
269 2HB GLN 41 1HB GLN 41 -2.653 -3.889 -5.233
270 1HG GLN 41 2HG GLN 41 -2.669 -5.756 -3.777
271 2HG GLN 41 1HG GLN 41 -4.417 -5.656 -3.567
272 1HE2 GLN 41 1HE2 GLN 41 -5.761 -6.421 -5.152
273 2HE2 GLN 41 2HE2 GLN 41 -5.201 -7.429 -6.446
274 H ILE 42 H ILE 42 -1.680 -1.517 -3.103
275 HA ILE 42 HA ILE 42 -2.812 0.612 -4.803
276 HB ILE 42 HB ILE 42 -1.392 2.226 -3.715
277 1HG1 ILE 42 2HG1 ILE 42 -0.444 0.194 -1.716
278 2HG1 ILE 42 1HG1 ILE 42 0.436 0.432 -3.226
279 1HG2 ILE 42 1HG2 ILE 42 -2.334 2.189 -1.447
280 2HG2 ILE 42 2HG2 ILE 42 -2.866 0.528 -1.718
281 3HG2 ILE 42 3HG2 ILE 42 -3.532 1.839 -2.692
282 1HD1 ILE 42 1HD1 ILE 42 -0.198 2.602 -1.250
283 2HD1 ILE 42 2HD1 ILE 42 0.789 2.745 -2.708
284 3HD1 ILE 42 3HD1 ILE 42 1.339 1.745 -1.360
285 H ASN 43 H ASN 43 -0.709 2.025 -5.573
286 HA ASN 43 HA ASN 43 0.639 0.119 -7.304
287 1HB ASN 43 2HB ASN 43 -0.543 2.278 -8.068
288 2HB ASN 43 1HB ASN 43 0.889 3.107 -7.477
289 1HD2 ASN 43 1HD2 ASN 43 1.246 3.792 -9.642
290 2HD2 ASN 43 2HD2 ASN 43 1.963 2.725 -10.801
291 H ARG 44 H ARG 44 2.862 0.105 -7.625
292 HA ARG 44 HA ARG 44 4.404 -0.119 -5.349
293 1HB ARG 44 2HB ARG 44 4.938 -1.276 -7.358
294 2HB ARG 44 1HB ARG 44 5.126 0.221 -8.252
295 1HG ARG 44 2HG ARG 44 7.128 0.730 -6.891
296 2HG ARG 44 1HG ARG 44 6.958 -0.852 -6.118
297 1HD ARG 44 2HD ARG 44 7.122 -1.937 -8.285
298 2HD ARG 44 1HD ARG 44 7.277 -0.373 -9.078
299 HE ARG 44 HE ARG 44 9.313 -1.855 -7.674
300 1HH1 ARG 44 1HH1 ARG 44 8.350 1.349 -8.786
301 2HH1 ARG 44 2HH1 ARG 44 9.984 1.899 -8.964
302 1HH2 ARG 44 1HH2 ARG 44 11.444 -1.127 -7.954
303 2HH2 ARG 44 2HH2 ARG 44 11.746 0.486 -8.531
304 H ASP 45 H ASP 45 4.502 2.580 -7.707
305 HA ASP 45 HA ASP 45 6.573 3.846 -6.130
306 1HB ASP 45 2HB ASP 45 5.283 4.520 -8.757
307 2HB ASP 45 1HB ASP 45 6.357 5.654 -7.943
308 H ASP 46 H ASP 46 3.390 3.700 -5.649
309 HA ASP 46 HA ASP 46 3.013 6.484 -4.902
310 1HB ASP 46 2HB ASP 46 1.259 4.043 -4.767
311 2HB ASP 46 1HB ASP 46 0.840 5.502 -3.875
312 H VAL 47 H VAL 47 4.199 3.598 -3.565
313 HA VAL 47 HA VAL 47 3.691 4.127 -0.803
314 HB VAL 47 HB VAL 47 5.978 2.453 -1.832
315 1HG1 VAL 47 1HG1 VAL 47 4.155 2.141 0.539
316 2HG1 VAL 47 2HG1 VAL 47 5.806 2.765 0.577
317 3HG1 VAL 47 3HG1 VAL 47 5.504 1.089 0.115
318 1HG2 VAL 47 1HG2 VAL 47 4.481 0.559 -2.048
319 2HG2 VAL 47 2HG2 VAL 47 4.004 1.852 -3.149
320 3HG2 VAL 47 3HG2 VAL 47 3.102 1.582 -1.660
321 H SER 48 H SER 48 5.155 4.995 0.757
322 HA SER 48 HA SER 48 7.605 6.186 -0.268
323 1HB SER 48 2HB SER 48 5.848 7.868 -0.672
324 2HB SER 48 1HB SER 48 5.442 7.842 1.043
325 HG SER 48 HG SER 48 8.066 8.417 0.151
326 H GLN 49 H GLN 49 5.625 6.650 2.683
327 HA GLN 49 HA GLN 49 8.145 6.437 4.167
328 1HB GLN 49 2HB GLN 49 5.560 7.844 4.806
329 2HB GLN 49 1HB GLN 49 6.905 7.715 5.934
330 1HG GLN 49 2HG GLN 49 8.322 8.987 4.503
331 2HG GLN 49 1HG GLN 49 7.137 8.942 3.199
332 1HE2 GLN 49 1HE2 GLN 49 5.364 10.288 3.277
333 2HE2 GLN 49 2HE2 GLN 49 5.253 11.622 4.377
334 H ILE 50 H ILE 50 8.446 4.490 4.928
335 HA ILE 50 HA ILE 50 6.496 3.435 6.831
336 HB ILE 50 HB ILE 50 7.050 1.092 6.045
337 1HG1 ILE 50 2HG1 ILE 50 7.967 2.596 3.587
338 2HG1 ILE 50 1HG1 ILE 50 8.974 1.607 4.637
339 1HG2 ILE 50 1HG2 ILE 50 5.343 1.101 4.283
340 2HG2 ILE 50 2HG2 ILE 50 5.447 2.860 4.208
341 3HG2 ILE 50 3HG2 ILE 50 4.871 2.073 5.678
342 1HD1 ILE 50 1HD1 ILE 50 7.666 -0.366 3.991
343 2HD1 ILE 50 2HD1 ILE 50 8.441 0.413 2.611
344 3HD1 ILE 50 3HD1 ILE 50 6.715 0.643 2.901
345 H ILE 51 H ILE 51 7.757 1.305 7.800
346 HA ILE 51 HA ILE 51 10.142 2.451 8.982
347 HB ILE 51 HB ILE 51 8.369 1.324 10.346
348 1HG1 ILE 51 2HG1 ILE 51 11.111 0.060 10.551
349 2HG1 ILE 51 1HG1 ILE 51 10.674 1.638 11.194
350 1HG2 ILE 51 1HG2 ILE 51 9.454 -1.191 9.089
351 2HG2 ILE 51 2HG2 ILE 51 7.850 -0.505 8.834
352 3HG2 ILE 51 3HG2 ILE 51 8.303 -1.118 10.424
353 1HD1 ILE 51 1HD1 ILE 51 9.067 0.573 12.698
354 2HD1 ILE 51 2HD1 ILE 51 10.703 -0.039 12.943
355 3HD1 ILE 51 3HD1 ILE 51 9.521 -1.006 12.058
356 H GLU 52 H GLU 52 9.585 0.824 6.250
357 HA GLU 52 HA GLU 52 10.836 -0.297 4.733
358 1HB GLU 52 2HB GLU 52 13.138 0.168 6.638
359 2HB GLU 52 1HB GLU 52 13.273 -0.360 4.966
360 1HG GLU 52 2HG GLU 52 12.230 1.773 4.257
361 2HG GLU 52 1HG GLU 52 12.251 2.296 5.940
362 H ARG 53 H ARG 53 12.917 -2.155 5.024
363 HA ARG 53 HA ARG 53 11.818 -4.131 6.883
364 1HB ARG 53 2HB ARG 53 12.026 -5.870 5.064
365 2HB ARG 53 1HB ARG 53 10.710 -4.719 4.877
366 1HG ARG 53 2HG ARG 53 11.891 -3.525 3.185
367 2HG ARG 53 1HG ARG 53 13.364 -4.455 3.484
368 1HD ARG 53 2HD ARG 53 12.253 -6.481 2.725
369 2HD ARG 53 1HD ARG 53 10.756 -5.584 2.473
370 HE ARG 53 HE ARG 53 11.987 -4.306 0.737
371 1HH1 ARG 53 1HH1 ARG 53 13.254 -7.412 1.738
372 2HH1 ARG 53 2HH1 ARG 53 13.984 -7.757 0.202
373 1HH2 ARG 53 1HH2 ARG 53 12.940 -4.750 -1.278
374 2HH2 ARG 53 2HH2 ARG 53 13.788 -6.246 -1.528
Start of MODEL 19
1 H ASP 4 H ASP 4 -0.788 -1.779 14.076
2 HA ASP 4 HA ASP 4 -0.783 0.242 13.042
3 1HB ASP 4 2HB ASP 4 0.081 1.130 15.794
4 2HB ASP 4 1HB ASP 4 -0.253 2.255 14.486
5 H TYR 5 H TYR 5 1.210 -0.897 11.935
6 HA TYR 5 HA TYR 5 3.711 0.408 12.299
7 1HB TYR 5 2HB TYR 5 2.529 -1.357 10.232
8 2HB TYR 5 1HB TYR 5 3.816 -0.289 9.685
9 HD1 TYR 5 HD1 TYR 5 5.281 -0.385 12.470
10 HD2 TYR 5 HD2 TYR 5 3.804 -3.355 9.810
11 HE1 TYR 5 HE1 TYR 5 6.977 -1.967 13.294
12 HE2 TYR 5 HE2 TYR 5 5.485 -4.942 10.632
13 HH TYR 5 HH TYR 5 7.136 -4.621 13.398
14 H VAL 6 H VAL 6 0.904 0.964 10.248
15 HA VAL 6 HA VAL 6 0.027 2.869 9.373
16 HB VAL 6 HB VAL 6 2.266 4.272 10.834
17 1HG1 VAL 6 1HG1 VAL 6 -0.184 5.424 9.505
18 2HG1 VAL 6 2HG1 VAL 6 1.486 5.627 8.973
19 3HG1 VAL 6 3HG1 VAL 6 0.957 6.318 10.508
20 1HG2 VAL 6 1HG2 VAL 6 0.524 4.882 12.443
21 2HG2 VAL 6 2HG2 VAL 6 0.714 3.133 12.329
22 3HG2 VAL 6 3HG2 VAL 6 -0.649 3.926 11.537
23 H MET 7 H MET 7 0.139 3.068 7.258
24 HA MET 7 HA MET 7 2.774 3.230 5.989
25 1HB MET 7 2HB MET 7 1.317 1.433 5.183
26 2HB MET 7 1HB MET 7 0.065 2.604 4.792
27 1HG MET 7 2HG MET 7 1.487 3.608 3.109
28 2HG MET 7 1HG MET 7 2.802 2.515 3.534
29 1HE MET 7 1HE MET 7 -1.160 1.165 1.595
30 2HE MET 7 2HE MET 7 -0.756 2.848 1.932
31 3HE MET 7 3HE MET 7 -1.035 1.727 3.264
32 H ALA 8 H ALA 8 3.416 5.274 5.842
33 HA ALA 8 HA ALA 8 1.529 7.343 5.014
34 1HB ALA 8 1HB ALA 8 4.451 7.570 5.749
35 2HB ALA 8 2HB ALA 8 3.100 7.844 6.848
36 3HB ALA 8 3HB ALA 8 3.342 8.911 5.465
37 H THR 9 H THR 9 1.183 7.504 2.891
38 HA THR 9 HA THR 9 3.200 6.532 1.047
39 HB THR 9 HB THR 9 1.449 7.032 -0.692
40 HG1 THR 9 HG1 THR 9 -0.398 7.919 -0.097
41 1HG2 THR 9 1HG2 THR 9 0.040 5.115 -0.090
42 2HG2 THR 9 2HG2 THR 9 0.665 5.178 1.557
43 3HG2 THR 9 3HG2 THR 9 1.745 4.784 0.221
44 H LYS 10 H LYS 10 3.556 7.812 -0.966
45 HA LYS 10 HA LYS 10 4.637 10.350 -0.119
46 1HB LYS 10 2HB LYS 10 5.889 8.627 -1.445
47 2HB LYS 10 1HB LYS 10 4.838 8.981 -2.805
48 1HG LYS 10 2HG LYS 10 5.769 11.066 -3.154
49 2HG LYS 10 1HG LYS 10 6.405 11.168 -1.509
50 1HD LYS 10 2HD LYS 10 8.184 10.775 -3.163
51 2HD LYS 10 1HD LYS 10 8.047 9.447 -2.011
52 1HE LYS 10 2HE LYS 10 6.689 8.210 -3.679
53 2HE LYS 10 1HE LYS 10 6.986 9.510 -4.834
54 1HZ LYS 10 1HZ LYS 10 8.544 7.776 -5.233
55 2HZ LYS 10 2HZ LYS 10 9.006 7.712 -3.602
56 3HZ LYS 10 3HZ LYS 10 9.395 9.072 -4.546
57 H ASP 11 H ASP 11 1.694 9.447 -1.286
58 HA ASP 11 HA ASP 11 1.276 11.811 -2.926
59 1HB ASP 11 2HB ASP 11 -0.900 10.993 -3.388
60 2HB ASP 11 1HB ASP 11 0.137 9.576 -3.383
61 H GLY 12 H GLY 12 1.096 10.895 0.352
62 1HA GLY 12 2HA GLY 12 1.098 12.867 1.841
63 2HA GLY 12 1HA GLY 12 -0.297 13.433 0.936
64 H ARG 13 H ARG 13 -1.397 10.624 0.856
65 HA ARG 13 HA ARG 13 -2.907 10.905 3.275
66 1HB ARG 13 2HB ARG 13 -4.156 8.922 2.511
67 2HB ARG 13 1HB ARG 13 -4.049 10.163 1.274
68 1HG ARG 13 2HG ARG 13 -2.325 8.915 0.129
69 2HG ARG 13 1HG ARG 13 -2.334 7.689 1.386
70 1HD ARG 13 2HD ARG 13 -4.557 8.370 -0.531
71 2HD ARG 13 1HD ARG 13 -3.613 6.883 -0.476
72 HE ARG 13 HE ARG 13 -5.036 7.418 1.964
73 1HH1 ARG 13 1HH1 ARG 13 -5.299 5.981 -1.238
74 2HH1 ARG 13 2HH1 ARG 13 -6.639 4.958 -0.797
75 1HH2 ARG 13 1HH2 ARG 13 -6.778 6.106 2.525
76 2HH2 ARG 13 2HH2 ARG 13 -7.489 5.035 1.353
77 H MET 14 H MET 14 -3.093 9.452 4.981
78 HA MET 14 HA MET 14 -0.796 7.637 5.312
79 1HB MET 14 2HB MET 14 -0.636 9.705 6.687
80 2HB MET 14 1HB MET 14 -2.161 9.282 7.451
81 1HG MET 14 2HG MET 14 -1.174 7.280 8.381
82 2HG MET 14 1HG MET 14 0.347 7.631 7.560
83 1HE MET 14 1HE MET 14 1.925 9.690 8.170
84 2HE MET 14 2HE MET 14 1.499 10.915 9.365
85 3HE MET 14 3HE MET 14 0.567 10.775 7.875
86 H ILE 15 H ILE 15 -1.445 5.595 5.378
87 HA ILE 15 HA ILE 15 -4.244 5.050 6.082
88 HB ILE 15 HB ILE 15 -2.294 3.316 4.555
89 1HG1 ILE 15 2HG1 ILE 15 -4.628 4.983 3.581
90 2HG1 ILE 15 1HG1 ILE 15 -2.927 5.352 3.320
91 1HG2 ILE 15 1HG2 ILE 15 -3.975 2.010 5.739
92 2HG2 ILE 15 2HG2 ILE 15 -4.264 1.968 4.000
93 3HG2 ILE 15 3HG2 ILE 15 -5.255 2.997 5.034
94 1HD1 ILE 15 1HD1 ILE 15 -4.387 2.941 2.261
95 2HD1 ILE 15 2HD1 ILE 15 -2.690 3.330 1.979
96 3HD1 ILE 15 3HD1 ILE 15 -3.954 4.381 1.340
97 H LEU 16 H LEU 16 -4.775 3.758 7.751
98 HA LEU 16 HA LEU 16 -2.722 3.034 9.618
99 1HB LEU 16 2HB LEU 16 -5.707 2.622 9.639
100 2HB LEU 16 1HB LEU 16 -4.657 2.067 10.925
101 HG LEU 16 HG LEU 16 -5.579 4.077 11.698
102 1HD1 LEU 16 1HD1 LEU 16 -3.190 3.916 12.086
103 2HD1 LEU 16 2HD1 LEU 16 -3.681 5.598 11.876
104 3HD1 LEU 16 3HD1 LEU 16 -2.872 4.743 10.560
105 1HD2 LEU 16 1HD2 LEU 16 -6.505 4.894 9.620
106 2HD2 LEU 16 2HD2 LEU 16 -4.894 5.303 9.034
107 3HD2 LEU 16 3HD2 LEU 16 -5.577 6.167 10.412
108 H THR 17 H THR 17 -1.524 1.535 8.413
109 HA THR 17 HA THR 17 -2.771 -1.092 8.040
110 HB THR 17 HB THR 17 -0.519 -1.638 6.980
111 HG1 THR 17 HG1 THR 17 0.970 -0.142 7.060
112 1HG2 THR 17 1HG2 THR 17 -2.502 -1.139 5.628
113 2HG2 THR 17 2HG2 THR 17 -1.046 -0.490 4.873
114 3HG2 THR 17 3HG2 THR 17 -2.148 0.585 5.732
115 H ASP 18 H ASP 18 -2.463 -2.625 9.598
116 HA ASP 18 HA ASP 18 -0.893 -2.116 11.882
117 1HB ASP 18 2HB ASP 18 -2.316 -4.519 10.845
118 2HB ASP 18 1HB ASP 18 -1.105 -4.753 12.106
119 H GLY 19 H GLY 19 -0.209 -3.809 8.876
120 1HA GLY 19 2HA GLY 19 2.199 -2.684 8.528
121 2HA GLY 19 1HA GLY 19 2.596 -4.018 9.601
122 H LYS 20 H LYS 20 3.875 -4.093 7.229
123 HA LYS 20 HA LYS 20 4.412 -5.835 5.917
124 1HB LYS 20 2HB LYS 20 2.093 -7.140 7.283
125 2HB LYS 20 1HB LYS 20 2.993 -7.952 6.003
126 1HG LYS 20 2HG LYS 20 5.076 -7.346 7.395
127 2HG LYS 20 1HG LYS 20 3.929 -7.083 8.709
128 1HD LYS 20 2HD LYS 20 3.173 -9.349 8.592
129 2HD LYS 20 1HD LYS 20 4.101 -9.637 7.119
130 1HE LYS 20 2HE LYS 20 6.178 -9.218 8.396
131 2HE LYS 20 1HE LYS 20 5.209 -9.049 9.860
132 1HZ LYS 20 1HZ LYS 20 6.135 -11.264 9.682
133 2HZ LYS 20 2HZ LYS 20 5.397 -11.485 8.172
134 3HZ LYS 20 3HZ LYS 20 4.444 -11.327 9.565
135 HA PRO 21 HA PRO 21 1.650 -4.836 2.502
136 1HB PRO 21 2HB PRO 21 3.246 -2.897 1.389
137 2HB PRO 21 1HB PRO 21 1.935 -2.565 2.520
138 1HG PRO 21 2HG PRO 21 4.770 -2.252 2.918
139 2HG PRO 21 1HG PRO 21 3.450 -1.829 4.020
140 1HD PRO 21 2HD PRO 21 5.187 -4.205 4.000
141 2HD PRO 21 1HD PRO 21 4.210 -3.535 5.322
142 H GLU 22 H GLU 22 1.945 -6.453 1.106
143 HA GLU 22 HA GLU 22 4.594 -7.400 0.453
144 1HB GLU 22 2HB GLU 22 2.084 -8.571 0.605
145 2HB GLU 22 1HB GLU 22 2.389 -8.498 -1.124
146 1HG GLU 22 2HG GLU 22 4.216 -9.749 0.918
147 2HG GLU 22 1HG GLU 22 3.099 -10.621 -0.126
148 H ILE 23 H ILE 23 5.703 -6.099 -0.867
149 HA ILE 23 HA ILE 23 4.489 -4.522 -2.906
150 HB ILE 23 HB ILE 23 7.414 -5.224 -2.626
151 1HG1 ILE 23 2HG1 ILE 23 5.852 -2.919 -1.433
152 2HG1 ILE 23 1HG1 ILE 23 6.549 -4.264 -0.540
153 1HG2 ILE 23 1HG2 ILE 23 6.029 -2.919 -3.995
154 2HG2 ILE 23 2HG2 ILE 23 6.819 -4.278 -4.791
155 3HG2 ILE 23 3HG2 ILE 23 7.773 -3.131 -3.851
156 1HD1 ILE 23 1HD1 ILE 23 7.933 -2.309 -0.310
157 2HD1 ILE 23 2HD1 ILE 23 8.059 -2.157 -2.061
158 3HD1 ILE 23 3HD1 ILE 23 8.789 -3.538 -1.245
159 H ASP 24 H ASP 24 3.587 -5.447 -4.614
160 HA ASP 24 HA ASP 24 4.335 -8.038 -5.563
161 1HB ASP 24 2HB ASP 24 1.986 -7.034 -5.660
162 2HB ASP 24 1HB ASP 24 2.572 -6.036 -6.982
163 H ASP 25 H ASP 25 5.761 -8.544 -7.139
164 HA ASP 25 HA ASP 25 7.082 -6.291 -8.471
165 1HB ASP 25 2HB ASP 25 8.987 -7.776 -8.821
166 2HB ASP 25 1HB ASP 25 8.547 -7.706 -7.119
167 H ASP 26 H ASP 26 4.614 -8.188 -9.229
168 HA ASP 26 HA ASP 26 5.463 -8.623 -12.030
169 1HB ASP 26 2HB ASP 26 4.246 -10.479 -10.702
170 2HB ASP 26 1HB ASP 26 2.838 -9.455 -10.788
171 H THR 27 H THR 27 3.090 -7.231 -9.933
172 HA THR 27 HA THR 27 1.548 -6.205 -12.170
173 HB THR 27 HB THR 27 0.586 -5.885 -9.387
174 HG1 THR 27 HG1 THR 27 1.679 -7.975 -9.355
175 1HG2 THR 27 1HG2 THR 27 -1.439 -6.716 -10.346
176 2HG2 THR 27 2HG2 THR 27 -0.578 -7.201 -11.809
177 3HG2 THR 27 3HG2 THR 27 -0.767 -5.487 -11.422
178 H GLY 28 H GLY 28 3.828 -5.077 -9.923
179 1HA GLY 28 2HA GLY 28 4.699 -2.956 -9.642
180 2HA GLY 28 1HA GLY 28 3.521 -2.367 -10.809
181 H LEU 29 H LEU 29 2.411 -4.226 -8.146
182 HA LEU 29 HA LEU 29 1.300 -1.784 -6.960
183 1HB LEU 29 2HB LEU 29 0.032 -4.517 -7.133
184 2HB LEU 29 1HB LEU 29 -0.664 -3.130 -6.318
185 HG LEU 29 HG LEU 29 -0.144 -3.354 -9.285
186 1HD1 LEU 29 1HD1 LEU 29 -2.727 -3.348 -7.728
187 2HD1 LEU 29 2HD1 LEU 29 -1.999 -4.747 -8.516
188 3HD1 LEU 29 3HD1 LEU 29 -2.572 -3.390 -9.484
189 1HD2 LEU 29 1HD2 LEU 29 -1.340 -1.230 -9.453
190 2HD2 LEU 29 2HD2 LEU 29 0.124 -1.062 -8.483
191 3HD2 LEU 29 3HD2 LEU 29 -1.452 -1.149 -7.694
192 H VAL 30 H VAL 30 0.432 -2.357 -4.637
193 HA VAL 30 HA VAL 30 2.356 -4.103 -3.258
194 HB VAL 30 HB VAL 30 1.581 -1.357 -2.257
195 1HG1 VAL 30 1HG1 VAL 30 3.365 -1.759 -0.596
196 2HG1 VAL 30 2HG1 VAL 30 3.540 -3.402 -1.217
197 3HG1 VAL 30 3HG1 VAL 30 2.029 -2.901 -0.456
198 1HG2 VAL 30 1HG2 VAL 30 3.957 -0.779 -2.692
199 2HG2 VAL 30 2HG2 VAL 30 3.015 -1.077 -4.150
200 3HG2 VAL 30 3HG2 VAL 30 4.127 -2.308 -3.552
201 H SER 31 H SER 31 1.254 -5.591 -2.203
202 HA SER 31 HA SER 31 -1.549 -5.259 -1.648
203 1HB SER 31 2HB SER 31 0.229 -7.555 -0.826
204 2HB SER 31 1HB SER 31 -1.516 -7.574 -1.062
205 HG SER 31 HG SER 31 0.055 -8.366 -2.814
206 H TYR 32 H TYR 32 -1.977 -3.896 0.009
207 HA TYR 32 HA TYR 32 -0.522 -4.312 2.528
208 1HB TYR 32 2HB TYR 32 -1.107 -2.096 3.190
209 2HB TYR 32 1HB TYR 32 -0.523 -1.991 1.532
210 HD1 TYR 32 HD1 TYR 32 -2.719 -2.501 -0.180
211 HD2 TYR 32 HD2 TYR 32 -2.762 -0.598 3.622
212 HE1 TYR 32 HE1 TYR 32 -4.776 -1.304 -0.807
213 HE2 TYR 32 HE2 TYR 32 -4.814 0.598 3.008
214 HH TYR 32 HH TYR 32 -6.766 -0.221 0.547
215 H HIS 33 H HIS 33 -1.912 -3.868 4.501
216 HA HIS 33 HA HIS 33 -4.503 -5.218 4.142
217 1HB HIS 33 2HB HIS 33 -2.588 -5.315 6.490
218 2HB HIS 33 1HB HIS 33 -4.207 -6.002 6.502
219 HD1 HIS 33 HD1 HIS 33 -0.736 -6.730 5.521
220 HD2 HIS 33 HD2 HIS 33 -4.526 -8.243 4.728
221 HE1 HIS 33 HE1 HIS 33 -0.361 -9.007 4.534
222 HE2 HIS 33 HE2 HIS 33 -2.670 -9.990 4.308
223 H ASP 34 H ASP 34 -6.136 -3.898 4.427
224 HA ASP 34 HA ASP 34 -6.000 -1.326 5.557
225 1HB ASP 34 2HB ASP 34 -8.329 -3.168 5.026
226 2HB ASP 34 1HB ASP 34 -8.539 -1.553 5.684
227 H GLN 35 H GLN 35 -6.906 -0.526 7.501
228 HA GLN 35 HA GLN 35 -6.875 -2.274 9.774
229 1HB GLN 35 2HB GLN 35 -6.427 0.309 9.647
230 2HB GLN 35 1HB GLN 35 -8.178 0.436 9.770
231 1HG GLN 35 2HG GLN 35 -8.145 -0.765 11.867
232 2HG GLN 35 1HG GLN 35 -6.402 -0.979 11.736
233 1HE2 GLN 35 1HE2 GLN 35 -5.928 0.056 13.598
234 2HE2 GLN 35 2HE2 GLN 35 -6.102 1.771 13.806
235 H GLN 36 H GLN 36 -8.961 -1.677 7.287
236 HA GLN 36 HA GLN 36 -11.451 -2.151 8.675
237 1HB GLN 36 2HB GLN 36 -11.231 -0.646 6.669
238 2HB GLN 36 1HB GLN 36 -10.898 -2.073 5.701
239 1HG GLN 36 2HG GLN 36 -13.175 -1.462 5.402
240 2HG GLN 36 1HG GLN 36 -13.122 -2.959 6.335
241 1HE2 GLN 36 1HE2 GLN 36 -13.761 -2.940 8.485
242 2HE2 GLN 36 2HE2 GLN 36 -14.635 -1.614 9.173
243 H GLY 37 H GLY 37 -8.918 -4.011 7.478
244 1HA GLY 37 2HA GLY 37 -8.749 -6.328 7.800
245 2HA GLY 37 1HA GLY 37 -10.501 -6.429 7.867
246 H ASN 38 H ASN 38 -8.816 -4.775 5.265
247 HA ASN 38 HA ASN 38 -9.509 -7.033 3.499
248 1HB ASN 38 2HB ASN 38 -9.459 -4.091 2.778
249 2HB ASN 38 1HB ASN 38 -9.755 -5.407 1.648
250 1HD2 ASN 38 1HD2 ASN 38 -11.081 -3.344 4.008
251 2HD2 ASN 38 2HD2 ASN 38 -12.707 -3.941 3.953
252 H ALA 39 H ALA 39 -8.041 -7.669 1.953
253 HA ALA 39 HA ALA 39 -5.353 -6.486 2.178
254 1HB ALA 39 1HB ALA 39 -5.452 -8.875 2.690
255 2HB ALA 39 2HB ALA 39 -4.527 -8.585 1.218
256 3HB ALA 39 3HB ALA 39 -6.180 -9.191 1.115
257 H MET 40 H MET 40 -5.179 -4.918 0.689
258 HA MET 40 HA MET 40 -6.140 -5.519 -2.031
259 1HB MET 40 2HB MET 40 -6.276 -2.826 -0.654
260 2HB MET 40 1HB MET 40 -6.800 -3.178 -2.297
261 1HG MET 40 2HG MET 40 -8.400 -4.850 -1.272
262 2HG MET 40 1HG MET 40 -8.005 -4.123 0.283
263 1HE MET 40 1HE MET 40 -7.669 -1.106 -0.329
264 2HE MET 40 2HE MET 40 -8.693 -1.669 0.993
265 3HE MET 40 3HE MET 40 -9.303 -0.469 -0.148
266 H GLN 41 H GLN 41 -5.102 -3.895 -3.654
267 HA GLN 41 HA GLN 41 -2.247 -3.705 -2.929
268 1HB GLN 41 2HB GLN 41 -3.310 -4.402 -5.668
269 2HB GLN 41 1HB GLN 41 -1.640 -4.468 -5.117
270 1HG GLN 41 2HG GLN 41 -2.237 -6.275 -3.573
271 2HG GLN 41 1HG GLN 41 -3.894 -6.226 -4.169
272 1HE2 GLN 41 1HE2 GLN 41 -0.653 -7.212 -4.791
273 2HE2 GLN 41 2HE2 GLN 41 -0.984 -8.141 -6.215
274 H ILE 42 H ILE 42 -1.665 -1.615 -2.900
275 HA ILE 42 HA ILE 42 -3.005 0.260 -4.704
276 HB ILE 42 HB ILE 42 -2.029 2.061 -3.502
277 1HG1 ILE 42 2HG1 ILE 42 -0.515 0.259 -1.641
278 2HG1 ILE 42 1HG1 ILE 42 0.228 0.752 -3.160
279 1HG2 ILE 42 1HG2 ILE 42 -3.942 1.007 -2.430
280 2HG2 ILE 42 2HG2 ILE 42 -2.838 1.694 -1.239
281 3HG2 ILE 42 3HG2 ILE 42 -2.857 -0.046 -1.522
282 1HD1 ILE 42 1HD1 ILE 42 -0.018 3.073 -2.561
283 2HD1 ILE 42 2HD1 ILE 42 0.857 2.201 -1.302
284 3HD1 ILE 42 3HD1 ILE 42 -0.839 2.622 -1.065
285 H ASN 43 H ASN 43 -1.314 2.049 -5.493
286 HA ASN 43 HA ASN 43 0.357 0.604 -7.326
287 1HB ASN 43 2HB ASN 43 -0.935 2.635 -7.949
288 2HB ASN 43 1HB ASN 43 0.114 3.586 -6.905
289 1HD2 ASN 43 1HD2 ASN 43 2.068 4.189 -7.592
290 2HD2 ASN 43 2HD2 ASN 43 2.716 3.837 -9.166
291 H ARG 44 H ARG 44 2.540 0.399 -7.333
292 HA ARG 44 HA ARG 44 3.847 0.329 -4.873
293 1HB ARG 44 2HB ARG 44 4.513 -1.065 -6.765
294 2HB ARG 44 1HB ARG 44 5.055 0.360 -7.644
295 1HG ARG 44 2HG ARG 44 6.679 0.755 -5.753
296 2HG ARG 44 1HG ARG 44 6.250 -0.852 -5.169
297 1HD ARG 44 2HD ARG 44 7.304 -0.271 -7.929
298 2HD ARG 44 1HD ARG 44 8.307 -0.777 -6.572
299 HE ARG 44 HE ARG 44 6.165 -2.600 -7.006
300 1HH1 ARG 44 1HH1 ARG 44 9.275 -1.606 -8.208
301 2HH1 ARG 44 2HH1 ARG 44 9.659 -3.149 -8.902
302 1HH2 ARG 44 1HH2 ARG 44 6.657 -4.660 -7.911
303 2HH2 ARG 44 2HH2 ARG 44 8.182 -4.885 -8.724
304 H ASP 45 H ASP 45 3.815 2.848 -7.314
305 HA ASP 45 HA ASP 45 6.160 4.185 -6.408
306 1HB ASP 45 2HB ASP 45 3.913 5.387 -8.029
307 2HB ASP 45 1HB ASP 45 5.585 5.928 -7.954
308 H ASP 46 H ASP 46 3.145 3.962 -5.017
309 HA ASP 46 HA ASP 46 3.097 6.682 -3.976
310 1HB ASP 46 2HB ASP 46 1.220 4.345 -3.610
311 2HB ASP 46 1HB ASP 46 1.012 5.900 -2.813
312 H VAL 47 H VAL 47 3.862 3.441 -2.948
313 HA VAL 47 HA VAL 47 3.740 3.901 -0.153
314 HB VAL 47 HB VAL 47 5.438 1.823 -1.546
315 1HG1 VAL 47 1HG1 VAL 47 4.079 1.805 1.141
316 2HG1 VAL 47 2HG1 VAL 47 5.799 2.100 0.876
317 3HG1 VAL 47 3HG1 VAL 47 5.098 0.531 0.473
318 1HG2 VAL 47 1HG2 VAL 47 3.471 0.344 -1.365
319 2HG2 VAL 47 2HG2 VAL 47 3.198 1.701 -2.457
320 3HG2 VAL 47 3HG2 VAL 47 2.514 1.723 -0.832
321 H SER 48 H SER 48 5.109 5.011 1.101
322 HA SER 48 HA SER 48 7.784 5.565 0.017
323 1HB SER 48 2HB SER 48 6.309 7.514 -0.272
324 2HB SER 48 1HB SER 48 5.986 7.529 1.461
325 HG SER 48 HG SER 48 7.607 9.003 1.067
326 H GLN 49 H GLN 49 6.040 6.189 3.090
327 HA GLN 49 HA GLN 49 8.437 5.174 4.479
328 1HB GLN 49 2HB GLN 49 6.643 7.478 5.261
329 2HB GLN 49 1HB GLN 49 7.975 6.865 6.234
330 1HG GLN 49 2HG GLN 49 9.556 7.492 4.503
331 2HG GLN 49 1HG GLN 49 8.234 8.042 3.474
332 1HE2 GLN 49 1HE2 GLN 49 10.147 8.718 6.295
333 2HE2 GLN 49 2HE2 GLN 49 9.655 10.364 6.475
334 H ILE 50 H ILE 50 8.020 3.370 5.549
335 HA ILE 50 HA ILE 50 5.304 2.890 6.541
336 HB ILE 50 HB ILE 50 7.619 0.951 6.424
337 1HG1 ILE 50 2HG1 ILE 50 6.938 1.646 4.168
338 2HG1 ILE 50 1HG1 ILE 50 6.485 -0.028 4.476
339 1HG2 ILE 50 1HG2 ILE 50 5.990 0.365 8.114
340 2HG2 ILE 50 2HG2 ILE 50 5.871 -0.755 6.755
341 3HG2 ILE 50 3HG2 ILE 50 4.680 0.533 6.947
342 1HD1 ILE 50 1HD1 ILE 50 4.728 1.136 3.298
343 2HD1 ILE 50 2HD1 ILE 50 4.653 2.359 4.565
344 3HD1 ILE 50 3HD1 ILE 50 4.185 0.693 4.916
345 H ILE 51 H ILE 51 8.569 2.089 7.753
346 HA ILE 51 HA ILE 51 7.596 2.561 10.476
347 HB ILE 51 HB ILE 51 10.213 1.356 9.550
348 1HG1 ILE 51 2HG1 ILE 51 7.726 -0.001 10.621
349 2HG1 ILE 51 1HG1 ILE 51 8.254 -0.020 8.941
350 1HG2 ILE 51 1HG2 ILE 51 10.438 0.584 11.871
351 2HG2 ILE 51 2HG2 ILE 51 8.969 1.462 12.296
352 3HG2 ILE 51 3HG2 ILE 51 10.399 2.344 11.762
353 1HD1 ILE 51 1HD1 ILE 51 10.237 -1.259 9.548
354 2HD1 ILE 51 2HD1 ILE 51 8.797 -2.092 10.133
355 3HD1 ILE 51 3HD1 ILE 51 9.802 -1.170 11.252
356 H GLU 52 H GLU 52 9.714 3.844 8.071
357 HA GLU 52 HA GLU 52 11.351 5.422 9.759
358 1HB GLU 52 2HB GLU 52 11.869 6.638 7.581
359 2HB GLU 52 1HB GLU 52 12.238 4.920 7.638
360 1HG GLU 52 2HG GLU 52 9.977 4.557 6.535
361 2HG GLU 52 1HG GLU 52 9.972 6.295 6.235
362 H ARG 53 H ARG 53 10.196 6.661 11.151
363 HA ARG 53 HA ARG 53 8.098 8.427 10.303
364 1HB ARG 53 2HB ARG 53 9.691 8.318 12.876
365 2HB ARG 53 1HB ARG 53 8.319 9.380 12.607
366 1HG ARG 53 2HG ARG 53 8.299 6.375 12.713
367 2HG ARG 53 1HG ARG 53 7.606 7.499 13.883
368 1HD ARG 53 2HD ARG 53 6.076 8.318 12.101
369 2HD ARG 53 1HD ARG 53 6.708 7.059 11.039
370 HE ARG 53 HE ARG 53 5.350 6.452 13.591
371 1HH1 ARG 53 1HH1 ARG 53 5.794 5.962 10.152
372 2HH1 ARG 53 2HH1 ARG 53 4.765 4.560 10.086
373 1HH2 ARG 53 1HH2 ARG 53 3.933 4.638 13.495
374 2HH2 ARG 53 2HH2 ARG 53 3.699 3.828 11.972
Start of MODEL 20
1 H ASP 4 H ASP 4 3.914 1.363 16.406
2 HA ASP 4 HA ASP 4 2.589 -0.463 16.253
3 1HB ASP 4 2HB ASP 4 0.481 1.517 15.380
4 2HB ASP 4 1HB ASP 4 0.170 -0.189 15.671
5 H TYR 5 H TYR 5 0.980 1.191 13.610
6 HA TYR 5 HA TYR 5 2.383 -0.204 11.551
7 1HB TYR 5 2HB TYR 5 -0.026 -1.263 10.905
8 2HB TYR 5 1HB TYR 5 1.225 -2.144 11.771
9 HD1 TYR 5 HD2 TYR 5 -1.751 0.034 12.396
10 HD2 TYR 5 HD1 TYR 5 0.717 -3.133 13.801
11 HE1 TYR 5 HE2 TYR 5 -3.284 -0.319 14.282
12 HE2 TYR 5 HE1 TYR 5 -0.813 -3.494 15.688
13 HH TYR 5 HH TYR 5 -2.480 -2.114 16.986
14 H VAL 6 H VAL 6 2.534 1.441 10.211
15 HA VAL 6 HA VAL 6 0.137 2.706 9.198
16 HB VAL 6 HB VAL 6 0.746 4.115 11.132
17 1HG1 VAL 6 1HG1 VAL 6 2.819 5.418 11.119
18 2HG1 VAL 6 2HG1 VAL 6 3.353 4.541 9.683
19 3HG1 VAL 6 3HG1 VAL 6 3.133 3.683 11.210
20 1HG2 VAL 6 1HG2 VAL 6 1.258 5.448 8.477
21 2HG2 VAL 6 2HG2 VAL 6 0.813 6.269 9.974
22 3HG2 VAL 6 3HG2 VAL 6 -0.321 5.155 9.207
23 H MET 7 H MET 7 0.430 3.601 7.149
24 HA MET 7 HA MET 7 3.093 3.226 5.955
25 1HB MET 7 2HB MET 7 1.611 1.303 5.417
26 2HB MET 7 1HB MET 7 0.462 2.418 4.696
27 1HG MET 7 2HG MET 7 2.043 3.013 2.983
28 2HG MET 7 1HG MET 7 3.289 2.024 3.746
29 1HE MET 7 1HE MET 7 -0.157 2.015 1.868
30 2HE MET 7 2HE MET 7 -0.537 1.153 3.361
31 3HE MET 7 3HE MET 7 -0.537 0.293 1.821
32 H ALA 8 H ALA 8 3.692 5.257 5.557
33 HA ALA 8 HA ALA 8 1.731 7.234 4.724
34 1HB ALA 8 1HB ALA 8 3.405 7.867 6.390
35 2HB ALA 8 2HB ALA 8 3.560 8.843 4.929
36 3HB ALA 8 3HB ALA 8 4.691 7.524 5.233
37 H THR 9 H THR 9 1.694 8.220 2.748
38 HA THR 9 HA THR 9 3.111 6.766 0.632
39 HB THR 9 HB THR 9 1.305 7.808 -0.833
40 HG1 THR 9 HG1 THR 9 -0.045 8.186 1.624
41 1HG2 THR 9 1HG2 THR 9 1.211 5.464 -0.135
42 2HG2 THR 9 2HG2 THR 9 -0.403 6.174 -0.118
43 3HG2 THR 9 3HG2 THR 9 0.472 5.940 1.395
44 H LYS 10 H LYS 10 3.459 8.128 -1.395
45 HA LYS 10 HA LYS 10 5.157 10.338 -0.625
46 1HB LYS 10 2HB LYS 10 5.862 8.638 -2.281
47 2HB LYS 10 1HB LYS 10 4.574 9.165 -3.354
48 1HG LYS 10 2HG LYS 10 5.634 11.170 -3.848
49 2HG LYS 10 1HG LYS 10 6.649 11.099 -2.406
50 1HD LYS 10 2HD LYS 10 7.932 10.632 -4.440
51 2HD LYS 10 1HD LYS 10 7.900 9.241 -3.357
52 1HE LYS 10 2HE LYS 10 6.033 8.312 -4.728
53 2HE LYS 10 1HE LYS 10 6.276 9.644 -5.859
54 1HZ LYS 10 1HZ LYS 10 8.585 8.879 -6.151
55 2HZ LYS 10 2HZ LYS 10 7.456 7.710 -6.629
56 3HZ LYS 10 3HZ LYS 10 8.260 7.548 -5.149
57 H ASP 11 H ASP 11 1.945 9.981 -1.456
58 HA ASP 11 HA ASP 11 1.732 12.724 -2.449
59 1HB ASP 11 2HB ASP 11 -0.215 10.424 -2.415
60 2HB ASP 11 1HB ASP 11 -0.719 12.073 -2.779
61 H GLY 12 H GLY 12 2.014 11.356 0.417
62 1HA GLY 12 2HA GLY 12 1.807 12.408 2.463
63 2HA GLY 12 1HA GLY 12 0.820 13.641 1.698
64 H ARG 13 H ARG 13 -0.028 10.283 1.342
65 HA ARG 13 HA ARG 13 -2.373 10.765 3.036
66 1HB ARG 13 2HB ARG 13 -2.041 8.253 1.452
67 2HB ARG 13 1HB ARG 13 -3.509 9.140 1.845
68 1HG ARG 13 2HG ARG 13 -2.695 10.927 0.274
69 2HG ARG 13 1HG ARG 13 -1.451 9.797 -0.211
70 1HD ARG 13 2HD ARG 13 -4.361 9.076 -0.288
71 2HD ARG 13 1HD ARG 13 -3.571 9.888 -1.633
72 HE ARG 13 HE ARG 13 -1.962 7.792 -1.304
73 1HH1 ARG 13 1HH1 ARG 13 -5.460 7.940 -1.320
74 2HH1 ARG 13 2HH1 ARG 13 -5.647 6.404 -2.101
75 1HH2 ARG 13 1HH2 ARG 13 -2.207 5.765 -2.317
76 2HH2 ARG 13 2HH2 ARG 13 -3.811 5.172 -2.672
77 H MET 14 H MET 14 -2.613 9.804 4.900
78 HA MET 14 HA MET 14 -0.492 8.010 5.816
79 1HB MET 14 2HB MET 14 -2.451 9.775 7.251
80 2HB MET 14 1HB MET 14 -1.698 8.430 8.095
81 1HG MET 14 2HG MET 14 -0.496 10.483 8.513
82 2HG MET 14 1HG MET 14 0.509 9.349 7.617
83 1HE MET 14 1HE MET 14 1.765 12.767 6.237
84 2HE MET 14 2HE MET 14 2.217 11.231 6.980
85 3HE MET 14 3HE MET 14 1.274 12.410 7.893
86 H ILE 15 H ILE 15 -1.031 6.045 5.070
87 HA ILE 15 HA ILE 15 -3.773 5.099 5.361
88 HB ILE 15 HB ILE 15 -1.379 3.920 3.946
89 1HG1 ILE 15 2HG1 ILE 15 -3.961 5.093 2.883
90 2HG1 ILE 15 1HG1 ILE 15 -2.410 5.922 2.911
91 1HG2 ILE 15 1HG2 ILE 15 -4.199 2.859 4.086
92 2HG2 ILE 15 2HG2 ILE 15 -2.768 2.116 4.803
93 3HG2 ILE 15 3HG2 ILE 15 -2.917 2.233 3.049
94 1HD1 ILE 15 1HD1 ILE 15 -3.065 3.435 1.350
95 2HD1 ILE 15 2HD1 ILE 15 -1.495 4.235 1.392
96 3HD1 ILE 15 3HD1 ILE 15 -2.889 5.068 0.703
97 H LEU 16 H LEU 16 -4.392 3.580 6.768
98 HA LEU 16 HA LEU 16 -2.447 2.723 8.759
99 1HB LEU 16 2HB LEU 16 -5.453 2.536 8.632
100 2HB LEU 16 1HB LEU 16 -4.511 1.755 9.884
101 HG LEU 16 HG LEU 16 -5.370 3.783 10.790
102 1HD1 LEU 16 1HD1 LEU 16 -2.465 4.157 10.080
103 2HD1 LEU 16 2HD1 LEU 16 -3.102 3.260 11.460
104 3HD1 LEU 16 3HD1 LEU 16 -3.329 5.007 11.363
105 1HD2 LEU 16 1HD2 LEU 16 -5.898 4.979 8.761
106 2HD2 LEU 16 2HD2 LEU 16 -4.184 5.176 8.393
107 3HD2 LEU 16 3HD2 LEU 16 -4.886 5.984 9.795
108 H THR 17 H THR 17 -1.950 0.599 9.176
109 HA THR 17 HA THR 17 -2.968 -1.413 7.301
110 HB THR 17 HB THR 17 -0.559 -2.299 7.169
111 HG1 THR 17 HG1 THR 17 0.146 0.375 7.819
112 1HG2 THR 17 1HG2 THR 17 0.061 -0.777 5.346
113 2HG2 THR 17 2HG2 THR 17 -1.166 0.369 5.883
114 3HG2 THR 17 3HG2 THR 17 -1.647 -1.210 5.265
115 H ASP 18 H ASP 18 -2.190 -3.664 8.054
116 HA ASP 18 HA ASP 18 -1.871 -3.743 10.976
117 1HB ASP 18 2HB ASP 18 -2.453 -6.074 10.881
118 2HB ASP 18 1HB ASP 18 -3.635 -5.207 9.914
119 H GLY 19 H GLY 19 -0.075 -2.914 8.824
120 1HA GLY 19 2HA GLY 19 2.214 -2.919 8.492
121 2HA GLY 19 1HA GLY 19 2.339 -4.337 9.535
122 H LYS 20 H LYS 20 3.846 -4.987 7.603
123 HA LYS 20 HA LYS 20 4.039 -6.961 6.468
124 1HB LYS 20 2HB LYS 20 1.113 -7.368 7.082
125 2HB LYS 20 1HB LYS 20 2.293 -8.607 6.676
126 1HG LYS 20 2HG LYS 20 3.503 -8.141 8.745
127 2HG LYS 20 1HG LYS 20 2.332 -6.884 9.146
128 1HD LYS 20 2HD LYS 20 0.554 -8.640 9.088
129 2HD LYS 20 1HD LYS 20 1.831 -9.844 8.900
130 1HE LYS 20 2HE LYS 20 1.405 -7.974 11.223
131 2HE LYS 20 1HE LYS 20 1.235 -9.729 11.218
132 1HZ LYS 20 1HZ LYS 20 3.723 -8.135 11.018
133 2HZ LYS 20 2HZ LYS 20 3.671 -9.772 10.594
134 3HZ LYS 20 3HZ LYS 20 3.315 -9.299 12.183
135 HA PRO 21 HA PRO 21 1.679 -5.206 2.798
136 1HB PRO 21 2HB PRO 21 3.498 -3.630 1.630
137 2HB PRO 21 1HB PRO 21 2.507 -3.047 2.974
138 1HG PRO 21 2HG PRO 21 5.341 -3.997 2.977
139 2HG PRO 21 1HG PRO 21 4.616 -2.637 3.851
140 1HD PRO 21 2HD PRO 21 5.133 -5.118 4.950
141 2HD PRO 21 1HD PRO 21 3.940 -3.964 5.577
142 H GLU 22 H GLU 22 1.678 -6.286 0.898
143 HA GLU 22 HA GLU 22 4.095 -7.813 0.214
144 1HB GLU 22 2HB GLU 22 1.186 -8.243 -0.464
145 2HB GLU 22 1HB GLU 22 2.486 -9.141 -1.231
146 1HG GLU 22 2HG GLU 22 3.170 -9.978 0.979
147 2HG GLU 22 1HG GLU 22 1.799 -9.130 1.696
148 H ILE 23 H ILE 23 5.291 -6.883 -1.279
149 HA ILE 23 HA ILE 23 4.022 -5.092 -3.193
150 HB ILE 23 HB ILE 23 6.964 -5.627 -2.720
151 1HG1 ILE 23 2HG1 ILE 23 5.167 -3.320 -1.928
152 2HG1 ILE 23 1HG1 ILE 23 5.893 -4.477 -0.833
153 1HG2 ILE 23 1HG2 ILE 23 7.335 -3.674 -4.150
154 2HG2 ILE 23 2HG2 ILE 23 5.597 -3.543 -4.430
155 3HG2 ILE 23 3HG2 ILE 23 6.485 -4.948 -5.026
156 1HD1 ILE 23 1HD1 ILE 23 7.381 -2.480 -2.518
157 2HD1 ILE 23 2HD1 ILE 23 8.109 -3.647 -1.414
158 3HD1 ILE 23 3HD1 ILE 23 7.075 -2.364 -0.784
159 H ASP 24 H ASP 24 3.205 -6.014 -4.888
160 HA ASP 24 HA ASP 24 4.116 -8.504 -5.969
161 1HB ASP 24 2HB ASP 24 2.181 -6.476 -7.117
162 2HB ASP 24 1HB ASP 24 2.396 -8.127 -7.686
163 H ASP 25 H ASP 25 6.149 -8.396 -6.756
164 HA ASP 25 HA ASP 25 7.144 -5.991 -7.973
165 1HB ASP 25 2HB ASP 25 9.280 -7.282 -8.136
166 2HB ASP 25 1HB ASP 25 8.624 -7.160 -6.507
167 H ASP 26 H ASP 26 5.407 -8.532 -9.213
168 HA ASP 26 HA ASP 26 6.690 -8.784 -11.748
169 1HB ASP 26 2HB ASP 26 3.934 -9.447 -10.752
170 2HB ASP 26 1HB ASP 26 4.303 -9.529 -12.471
171 H THR 27 H THR 27 4.421 -6.549 -10.363
172 HA THR 27 HA THR 27 4.336 -5.096 -12.921
173 HB THR 27 HB THR 27 2.182 -6.084 -12.715
174 HG1 THR 27 HG1 THR 27 2.050 -3.906 -13.314
175 1HG2 THR 27 1HG2 THR 27 2.286 -6.707 -10.363
176 2HG2 THR 27 2HG2 THR 27 0.773 -5.881 -10.734
177 3HG2 THR 27 3HG2 THR 27 2.068 -5.020 -9.900
178 H GLY 28 H GLY 28 4.460 -4.945 -9.422
179 1HA GLY 28 2HA GLY 28 5.575 -3.125 -8.322
180 2HA GLY 28 1HA GLY 28 5.054 -2.071 -9.631
181 H LEU 29 H LEU 29 2.999 -4.408 -7.989
182 HA LEU 29 HA LEU 29 1.409 -2.165 -6.958
183 1HB LEU 29 2HB LEU 29 0.617 -5.055 -7.346
184 2HB LEU 29 1HB LEU 29 -0.429 -3.779 -6.754
185 HG LEU 29 HG LEU 29 0.763 -3.965 -9.521
186 1HD1 LEU 29 1HD1 LEU 29 -1.576 -4.210 -10.219
187 2HD1 LEU 29 2HD1 LEU 29 -2.066 -4.229 -8.525
188 3HD1 LEU 29 3HD1 LEU 29 -1.056 -5.524 -9.165
189 1HD2 LEU 29 1HD2 LEU 29 -1.082 -1.883 -8.354
190 2HD2 LEU 29 2HD2 LEU 29 -0.568 -1.991 -10.039
191 3HD2 LEU 29 3HD2 LEU 29 0.614 -1.640 -8.777
192 H VAL 30 H VAL 30 0.282 -2.673 -4.827
193 HA VAL 30 HA VAL 30 2.012 -4.221 -3.026
194 HB VAL 30 HB VAL 30 1.071 -1.380 -2.568
195 1HG1 VAL 30 1HG1 VAL 30 0.864 -2.637 -0.503
196 2HG1 VAL 30 2HG1 VAL 30 2.215 -1.509 -0.403
197 3HG1 VAL 30 3HG1 VAL 30 2.520 -3.225 -0.670
198 1HG2 VAL 30 1HG2 VAL 30 3.031 -1.455 -3.962
199 2HG2 VAL 30 2HG2 VAL 30 3.833 -2.550 -2.840
200 3HG2 VAL 30 3HG2 VAL 30 3.486 -0.892 -2.354
201 H SER 31 H SER 31 0.784 -5.680 -2.080
202 HA SER 31 HA SER 31 -2.059 -5.183 -1.655
203 1HB SER 31 2HB SER 31 -1.491 -7.732 -0.721
204 2HB SER 31 1HB SER 31 -2.098 -7.336 -2.324
205 HG SER 31 HG SER 31 0.018 -7.309 -3.094
206 H TYR 32 H TYR 32 -2.773 -4.459 0.245
207 HA TYR 32 HA TYR 32 -1.235 -5.050 2.686
208 1HB TYR 32 2HB TYR 32 -1.281 -2.773 3.410
209 2HB TYR 32 1HB TYR 32 -0.695 -2.749 1.750
210 HD1 TYR 32 HD2 TYR 32 -2.606 -2.420 -0.075
211 HD2 TYR 32 HD1 TYR 32 -2.939 -1.274 4.005
212 HE1 TYR 32 HE2 TYR 32 -4.389 -0.832 -0.676
213 HE2 TYR 32 HE1 TYR 32 -4.715 0.319 3.419
214 HH TYR 32 HH TYR 32 -5.610 1.498 1.594
215 H HIS 33 H HIS 33 -2.554 -4.380 4.681
216 HA HIS 33 HA HIS 33 -5.427 -4.852 4.191
217 1HB HIS 33 2HB HIS 33 -3.895 -5.382 6.748
218 2HB HIS 33 1HB HIS 33 -5.586 -5.744 6.452
219 HD1 HIS 33 HD1 HIS 33 -2.359 -7.250 6.508
220 HD2 HIS 33 HD2 HIS 33 -5.854 -7.831 4.334
221 HE1 HIS 33 HE1 HIS 33 -2.207 -9.589 5.589
222 HE2 HIS 33 HE2 HIS 33 -4.463 -10.002 4.539
223 H ASP 34 H ASP 34 -6.874 -3.364 4.965
224 HA ASP 34 HA ASP 34 -5.821 -1.081 6.447
225 1HB ASP 34 2HB ASP 34 -8.107 -1.523 4.770
226 2HB ASP 34 1HB ASP 34 -8.645 -0.932 6.338
227 H GLN 35 H GLN 35 -7.731 -0.378 8.172
228 HA GLN 35 HA GLN 35 -7.228 -2.132 10.355
229 1HB GLN 35 2HB GLN 35 -9.097 0.235 10.185
230 2HB GLN 35 1HB GLN 35 -8.588 -0.560 11.668
231 1HG GLN 35 2HG GLN 35 -6.233 0.039 11.075
232 2HG GLN 35 1HG GLN 35 -6.881 1.003 9.750
233 1HE2 GLN 35 1HE2 GLN 35 -6.539 0.703 13.185
234 2HE2 GLN 35 2HE2 GLN 35 -7.050 2.315 13.585
235 H GLN 36 H GLN 36 -9.332 -2.549 7.918
236 HA GLN 36 HA GLN 36 -11.473 -3.686 9.563
237 1HB GLN 36 2HB GLN 36 -11.308 -3.429 6.552
238 2HB GLN 36 1HB GLN 36 -12.724 -3.891 7.481
239 1HG GLN 36 2HG GLN 36 -11.373 -1.202 7.489
240 2HG GLN 36 1HG GLN 36 -12.918 -1.605 6.748
241 1HE2 GLN 36 1HE2 GLN 36 -13.758 -3.304 8.939
242 2HE2 GLN 36 2HE2 GLN 36 -14.170 -2.248 10.247
243 H GLY 37 H GLY 37 -8.550 -4.619 8.410
244 1HA GLY 37 2HA GLY 37 -7.581 -6.713 8.177
245 2HA GLY 37 1HA GLY 37 -9.146 -7.433 8.547
246 H ASN 38 H ASN 38 -9.141 -5.062 6.139
247 HA ASN 38 HA ASN 38 -9.777 -7.059 4.119
248 1HB ASN 38 2HB ASN 38 -10.628 -5.078 2.831
249 2HB ASN 38 1HB ASN 38 -11.439 -5.344 4.368
250 1HD2 ASN 38 1HD2 ASN 38 -11.236 -2.931 2.777
251 2HD2 ASN 38 2HD2 ASN 38 -10.499 -1.739 3.791
252 H ALA 39 H ALA 39 -8.600 -7.409 2.357
253 HA ALA 39 HA ALA 39 -5.980 -6.118 2.236
254 1HB ALA 39 1HB ALA 39 -6.078 -8.576 2.339
255 2HB ALA 39 2HB ALA 39 -5.296 -7.995 0.869
256 3HB ALA 39 3HB ALA 39 -6.956 -8.588 0.809
257 H MET 40 H MET 40 -5.716 -4.493 0.899
258 HA MET 40 HA MET 40 -7.120 -4.547 -1.689
259 1HB MET 40 2HB MET 40 -6.526 -2.203 0.113
260 2HB MET 40 1HB MET 40 -6.910 -2.004 -1.592
261 1HG MET 40 2HG MET 40 -9.049 -3.096 -1.251
262 2HG MET 40 1HG MET 40 -8.671 -3.340 0.450
263 1HE MET 40 1HE MET 40 -8.599 -1.446 2.236
264 2HE MET 40 2HE MET 40 -8.725 0.273 1.865
265 3HE MET 40 3HE MET 40 -7.323 -0.647 1.317
266 H GLN 41 H GLN 41 -5.911 -3.035 -3.317
267 HA GLN 41 HA GLN 41 -3.036 -3.589 -3.051
268 1HB GLN 41 2HB GLN 41 -4.425 -5.272 -4.434
269 2HB GLN 41 1HB GLN 41 -4.510 -3.992 -5.636
270 1HG GLN 41 2HG GLN 41 -2.122 -3.967 -5.857
271 2HG GLN 41 1HG GLN 41 -1.947 -5.123 -4.536
272 1HE2 GLN 41 1HE2 GLN 41 -0.899 -6.652 -5.780
273 2HE2 GLN 41 2HE2 GLN 41 -1.720 -7.550 -7.012
274 H ILE 42 H ILE 42 -1.762 -1.964 -3.587
275 HA ILE 42 HA ILE 42 -2.827 0.273 -5.171
276 HB ILE 42 HB ILE 42 -3.179 1.203 -3.107
277 1HG1 ILE 42 2HG1 ILE 42 -1.191 2.381 -4.416
278 2HG1 ILE 42 1HG1 ILE 42 -1.726 2.955 -2.842
279 1HG2 ILE 42 1HG2 ILE 42 -2.448 -0.702 -1.810
280 2HG2 ILE 42 2HG2 ILE 42 -1.855 0.796 -1.096
281 3HG2 ILE 42 3HG2 ILE 42 -0.762 -0.229 -2.027
282 1HD1 ILE 42 1HD1 ILE 42 0.658 2.900 -2.873
283 2HD1 ILE 42 2HD1 ILE 42 0.661 1.231 -3.434
284 3HD1 ILE 42 3HD1 ILE 42 0.087 1.613 -1.810
285 H ASN 43 H ASN 43 -1.301 1.348 -6.445
286 HA ASN 43 HA ASN 43 0.964 -0.182 -7.213
287 1HB ASN 43 2HB ASN 43 -0.234 1.205 -8.816
288 2HB ASN 43 1HB ASN 43 0.191 2.658 -7.920
289 1HD2 ASN 43 1HD2 ASN 43 1.315 0.189 -10.082
290 2HD2 ASN 43 2HD2 ASN 43 2.808 0.952 -10.495
291 H ARG 44 H ARG 44 3.150 0.086 -6.833
292 HA ARG 44 HA ARG 44 3.730 1.048 -4.239
293 1HB ARG 44 2HB ARG 44 6.067 0.360 -4.720
294 2HB ARG 44 1HB ARG 44 4.874 -0.889 -5.015
295 1HG ARG 44 2HG ARG 44 6.373 -1.069 -6.786
296 2HG ARG 44 1HG ARG 44 4.998 -0.204 -7.464
297 1HD ARG 44 2HD ARG 44 6.252 1.569 -7.959
298 2HD ARG 44 1HD ARG 44 6.943 1.612 -6.336
299 HE ARG 44 HE ARG 44 8.377 -0.336 -7.300
300 1HH1 ARG 44 1HH1 ARG 44 7.343 2.526 -9.065
301 2HH1 ARG 44 2HH1 ARG 44 8.790 2.575 -10.041
302 1HH2 ARG 44 1HH2 ARG 44 10.225 -0.270 -8.590
303 2HH2 ARG 44 2HH2 ARG 44 10.407 0.966 -9.797
304 H ASP 45 H ASP 45 3.643 2.797 -7.122
305 HA ASP 45 HA ASP 45 5.737 4.651 -6.420
306 1HB ASP 45 2HB ASP 45 3.662 4.525 -8.567
307 2HB ASP 45 1HB ASP 45 4.442 6.066 -8.227
308 H ASP 46 H ASP 46 2.626 4.091 -5.348
309 HA ASP 46 HA ASP 46 2.020 6.850 -4.693
310 1HB ASP 46 2HB ASP 46 0.284 5.131 -5.363
311 2HB ASP 46 1HB ASP 46 0.556 4.363 -3.807
312 H VAL 47 H VAL 47 2.833 3.839 -2.974
313 HA VAL 47 HA VAL 47 2.941 5.048 -0.396
314 HB VAL 47 HB VAL 47 4.249 2.989 0.267
315 1HG1 VAL 47 1HG1 VAL 47 2.288 1.489 0.048
316 2HG1 VAL 47 2HG1 VAL 47 1.562 2.665 -1.046
317 3HG1 VAL 47 3HG1 VAL 47 1.882 3.104 0.629
318 1HG2 VAL 47 1HG2 VAL 47 3.627 2.154 -2.568
319 2HG2 VAL 47 2HG2 VAL 47 4.283 1.106 -1.307
320 3HG2 VAL 47 3HG2 VAL 47 5.231 2.468 -1.908
321 H SER 48 H SER 48 4.935 5.098 0.950
322 HA SER 48 HA SER 48 7.431 5.449 -0.438
323 1HB SER 48 2HB SER 48 6.328 7.601 -0.891
324 2HB SER 48 1HB SER 48 6.081 7.843 0.838
325 HG SER 48 HG SER 48 8.473 7.896 -0.653
326 H GLN 49 H GLN 49 5.988 6.684 2.599
327 HA GLN 49 HA GLN 49 8.399 5.783 3.974
328 1HB GLN 49 2HB GLN 49 6.163 7.593 4.884
329 2HB GLN 49 1HB GLN 49 7.542 7.138 5.876
330 1HG GLN 49 2HG GLN 49 9.043 8.187 4.238
331 2HG GLN 49 1HG GLN 49 7.640 8.682 3.292
332 1HE2 GLN 49 1HE2 GLN 49 7.650 8.637 6.780
333 2HE2 GLN 49 2HE2 GLN 49 7.606 10.352 6.990
334 H ILE 50 H ILE 50 8.133 3.637 4.285
335 HA ILE 50 HA ILE 50 6.375 3.024 6.520
336 HB ILE 50 HB ILE 50 5.072 2.191 4.668
337 1HG1 ILE 50 2HG1 ILE 50 6.458 -0.136 6.019
338 2HG1 ILE 50 1HG1 ILE 50 5.192 0.840 6.755
339 1HG2 ILE 50 1HG2 ILE 50 7.503 0.618 3.836
340 2HG2 ILE 50 2HG2 ILE 50 6.820 2.008 2.992
341 3HG2 ILE 50 3HG2 ILE 50 5.900 0.508 3.108
342 1HD1 ILE 50 1HD1 ILE 50 3.630 0.119 5.037
343 2HD1 ILE 50 2HD1 ILE 50 4.318 -1.257 5.897
344 3HD1 ILE 50 3HD1 ILE 50 4.894 -0.849 4.281
345 H ILE 51 H ILE 51 8.952 1.842 4.384
346 HA ILE 51 HA ILE 51 10.149 0.327 6.544
347 HB ILE 51 HB ILE 51 10.233 -0.582 4.271
348 1HG1 ILE 51 2HG1 ILE 51 12.978 0.216 5.270
349 2HG1 ILE 51 1HG1 ILE 51 12.039 -1.155 5.848
350 1HG2 ILE 51 1HG2 ILE 51 10.286 1.522 3.031
351 2HG2 ILE 51 2HG2 ILE 51 11.587 0.445 2.524
352 3HG2 ILE 51 3HG2 ILE 51 11.935 1.811 3.584
353 1HD1 ILE 51 1HD1 ILE 51 13.078 -0.799 3.048
354 2HD1 ILE 51 2HD1 ILE 51 12.175 -2.187 3.654
355 3HD1 ILE 51 3HD1 ILE 51 13.782 -1.832 4.289
356 H GLU 52 H GLU 52 10.391 3.441 5.098
357 HA GLU 52 HA GLU 52 13.004 4.017 6.223
358 1HB GLU 52 2HB GLU 52 11.068 5.802 4.731
359 2HB GLU 52 1HB GLU 52 12.717 6.224 5.170
360 1HG GLU 52 2HG GLU 52 11.913 3.999 3.308
361 2HG GLU 52 1HG GLU 52 12.535 5.577 2.826
362 H ARG 53 H ARG 53 9.997 3.812 7.416
363 HA ARG 53 HA ARG 53 8.901 4.549 9.244
364 1HB ARG 53 2HB ARG 53 11.590 5.675 10.048
365 2HB ARG 53 1HB ARG 53 10.196 5.503 11.103
366 1HG ARG 53 2HG ARG 53 10.295 3.088 10.889
367 2HG ARG 53 1HG ARG 53 11.657 3.228 9.772
368 1HD ARG 53 2HD ARG 53 12.980 4.302 11.531
369 2HD ARG 53 1HD ARG 53 11.620 4.152 12.643
370 HE ARG 53 HE ARG 53 12.423 1.634 11.540
371 1HH1 ARG 53 1HH1 ARG 53 13.228 4.021 13.965
372 2HH1 ARG 53 2HH1 ARG 53 13.935 2.866 15.062
373 1HH2 ARG 53 1HH2 ARG 53 13.370 0.103 12.949
374 2HH2 ARG 53 2HH2 ARG 53 14.010 0.631 14.486