NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595713 |
2n6e   |
25761 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -12.261 -17.593 12.552
2 HA2 GLY 1 1HA GLY 1 -11.993 -15.252 14.353
3 HA3 GLY 1 2HA GLY 1 -10.785 -15.745 13.143
4 H MET 2 H MET 2 -10.923 -14.720 11.158
5 HA MET 2 HA MET 2 -13.551 -13.869 10.161
6 HB3 MET 2 2HB MET 2 -12.629 -11.660 9.514
7 HG3 MET 2 2HG MET 2 -12.363 -12.025 12.512
8 HE1 MET 2 3HE MET 2 -13.814 -9.708 9.538
9 HE2 MET 2 1HE MET 2 -15.070 -9.889 10.786
10 HE3 MET 2 2HE MET 2 -14.291 -8.315 10.521
11 H LEU 3 H LEU 3 -13.227 -13.086 7.822
12 HA LEU 3 HA LEU 3 -10.946 -14.334 6.464
13 HB3 LEU 3 2HB LEU 3 -13.621 -15.036 5.314
14 HG LEU 3 HG LEU 3 -12.594 -17.048 4.649
15 HD11 LEU 3 1HD1 LEU 3 -10.705 -16.427 3.318
16 HD12 LEU 3 2HD1 LEU 3 -10.361 -15.012 4.324
17 HD13 LEU 3 3HD1 LEU 3 -11.843 -15.069 3.352
18 HD21 LEU 3 3HD2 LEU 3 -10.158 -16.421 6.360
19 HD22 LEU 3 1HD2 LEU 3 -10.517 -17.906 5.460
20 HD23 LEU 3 2HD2 LEU 3 -11.494 -17.491 6.870
21 H LEU 4 H LEU 4 -10.403 -12.191 6.126
22 HA LEU 4 HA LEU 4 -12.094 -10.361 4.559
23 HB3 LEU 4 2HB LEU 4 -9.818 -9.106 4.456
24 HG LEU 4 HG LEU 4 -9.763 -8.404 6.830
25 HD11 LEU 4 1HD1 LEU 4 -11.159 -7.269 5.182
26 HD12 LEU 4 2HD1 LEU 4 -11.907 -7.232 6.782
27 HD13 LEU 4 3HD1 LEU 4 -12.524 -8.358 5.563
28 HD21 LEU 4 3HD2 LEU 4 -11.453 -9.020 8.427
29 HD22 LEU 4 1HD2 LEU 4 -10.575 -10.480 7.948
30 HD23 LEU 4 2HD2 LEU 4 -12.201 -10.156 7.296
31 H SER 5 H SER 5 -10.856 -9.450 2.438
32 HA SER 5 HA SER 5 -9.330 -11.528 1.052
33 HB3 SER 5 2HB SER 5 -10.710 -11.817 -0.720
34 HG SER 5 HG SER 5 -12.167 -12.175 1.111
35 H THR 6 H THR 6 -8.397 -10.515 -1.083
36 HA THR 6 HA THR 6 -7.032 -8.248 -0.428
37 HB THR 6 HB THR 6 -7.594 -9.094 -3.274
38 HG1 THR 6 1HG THR 6 -5.471 -10.296 -2.125
39 HG21 THR 6 3HG2 THR 6 -6.164 -7.089 -2.867
40 HG22 THR 6 1HG2 THR 6 -5.176 -8.454 -3.450
41 HG23 THR 6 2HG2 THR 6 -5.184 -8.054 -1.735
42 H ASP 7 H ASP 7 -9.880 -8.456 -2.591
43 HA ASP 7 HA ASP 7 -10.145 -5.722 -3.217
44 HB3 ASP 7 2HB ASP 7 -12.174 -7.947 -2.895
45 H ILE 8 H ILE 8 -11.104 -7.461 -0.265
46 HA ILE 8 HA ILE 8 -12.963 -5.533 0.692
47 HB ILE 8 HB ILE 8 -11.377 -7.538 2.318
48 HG13 ILE 8 2HG1 ILE 8 -13.320 -8.959 2.161
49 HG21 ILE 8 1HG2 ILE 8 -13.506 -7.254 3.767
50 HG22 ILE 8 2HG2 ILE 8 -12.344 -5.914 3.750
51 HG23 ILE 8 3HG2 ILE 8 -13.831 -5.803 2.783
52 HD11 ILE 8 3HD1 ILE 8 -14.924 -8.851 0.393
53 HD12 ILE 8 1HD1 ILE 8 -15.048 -7.345 1.325
54 HD13 ILE 8 2HD1 ILE 8 -14.184 -7.371 -0.243
55 H TRP 9 H TRP 9 -9.458 -6.110 1.378
56 HA TRP 9 HA TRP 9 -9.265 -3.959 3.275
57 HB3 TRP 9 2HB TRP 9 -6.828 -4.113 2.863
58 HD1 TRP 9 HD TRP 9 -8.529 -5.403 5.154
59 HE1 TRP 9 1HE TRP 9 -7.895 -7.691 6.092
60 HE3 TRP 9 3HE TRP 9 -6.028 -7.221 1.127
61 HZ2 TRP 9 2HZ TRP 9 -6.991 -10.264 4.950
62 HZ3 TRP 9 3HZ TRP 9 -5.421 -9.658 0.999
63 HH2 TRP 9 HH TRP 9 -5.959 -11.159 2.885
64 H VAL 10 H VAL 10 -8.525 -4.170 -0.274
65 HA VAL 10 HA VAL 10 -7.601 -1.472 -0.392
66 HB VAL 10 HB VAL 10 -8.709 -3.251 -2.605
67 HG11 VAL 10 1HG1 VAL 10 -7.220 -1.699 -4.017
68 HG12 VAL 10 2HG1 VAL 10 -8.722 -1.001 -3.424
69 HG13 VAL 10 3HG1 VAL 10 -7.182 -0.609 -2.627
70 HG21 VAL 10 3HG2 VAL 10 -6.763 -4.297 -1.520
71 HG22 VAL 10 1HG2 VAL 10 -6.264 -3.645 -3.070
72 HG23 VAL 10 2HG2 VAL 10 -5.866 -2.779 -1.574
73 H ALA 11 H ALA 11 -10.917 -2.844 -0.575
74 HA ALA 11 HA ALA 11 -12.159 -0.396 -1.281
75 HB1 ALA 11 1HB ALA 11 -13.295 -2.662 -1.270
76 HB2 ALA 11 2HB ALA 11 -13.246 -2.684 0.495
77 HB3 ALA 11 3HB ALA 11 -14.210 -1.459 -0.352
78 H ALA 12 H ALA 12 -11.587 -1.855 1.921
79 HA ALA 12 HA ALA 12 -12.783 0.181 3.444
80 HB1 ALA 12 1HB ALA 12 -11.654 -0.932 5.310
81 HB2 ALA 12 2HB ALA 12 -12.248 -2.133 4.170
82 HB3 ALA 12 3HB ALA 12 -10.522 -1.738 4.204
83 H LEU 13 H LEU 13 -9.352 -0.402 2.761
84 HA LEU 13 HA LEU 13 -8.099 1.694 4.001
85 HB3 LEU 13 2HB LEU 13 -7.492 0.198 1.449
86 HG LEU 13 HG LEU 13 -6.263 2.292 1.284
87 HD11 LEU 13 1HD1 LEU 13 -4.462 2.790 3.008
88 HD12 LEU 13 2HD1 LEU 13 -5.246 1.623 4.098
89 HD13 LEU 13 3HD1 LEU 13 -6.091 3.088 3.586
90 HD21 LEU 13 3HD2 LEU 13 -4.010 1.272 1.144
91 HD22 LEU 13 1HD2 LEU 13 -5.239 0.114 0.610
92 HD23 LEU 13 2HD2 LEU 13 -4.524 -0.055 2.210
93 H ILE 14 H ILE 14 -9.409 1.757 0.614
94 HA ILE 14 HA ILE 14 -8.608 4.461 0.143
95 HB ILE 14 HB ILE 14 -10.710 2.591 -1.032
96 HG13 ILE 14 2HG1 ILE 14 -9.199 2.552 -2.950
97 HG21 ILE 14 1HG2 ILE 14 -11.717 4.735 -1.448
98 HG22 ILE 14 2HG2 ILE 14 -10.180 5.456 -1.930
99 HG23 ILE 14 3HG2 ILE 14 -10.946 4.223 -2.951
100 HD11 ILE 14 3HD1 ILE 14 -7.030 3.546 -2.940
101 HD12 ILE 14 1HD1 ILE 14 -8.124 4.892 -2.546
102 HD13 ILE 14 2HD1 ILE 14 -7.147 4.093 -1.292
103 H ARG 15 H ARG 15 -11.520 3.084 1.502
104 HA ARG 15 HA ARG 15 -13.003 5.538 1.523
105 HB3 ARG 15 2HB ARG 15 -14.401 4.383 3.301
106 HG3 ARG 15 2HG ARG 15 -15.015 2.358 1.814
107 HD3 ARG 15 2HD ARG 15 -15.034 5.212 0.771
108 HE ARG 15 HE ARG 15 -15.488 3.619 -1.042
109 HH11 ARG 15 1HH1 ARG 15 -18.031 4.980 0.919
110 HH12 ARG 15 2HH1 ARG 15 -19.358 4.161 0.121
111 HH21 ARG 15 1HH2 ARG 15 -17.128 2.500 -2.136
112 HH22 ARG 15 2HH2 ARG 15 -18.806 2.801 -1.842
113 H ARG 16 H ARG 16 -11.046 4.030 4.092
114 HA ARG 16 HA ARG 16 -11.419 6.193 5.974
115 HB3 ARG 16 2HB ARG 16 -10.838 4.310 7.056
116 HG3 ARG 16 2HG ARG 16 -8.176 3.639 5.913
117 HD3 ARG 16 2HD ARG 16 -9.174 2.103 7.527
118 HE ARG 16 HE ARG 16 -11.555 2.593 6.019
119 HH11 ARG 16 1HH1 ARG 16 -10.053 -0.252 7.426
120 HH12 ARG 16 2HH1 ARG 16 -11.491 -0.786 8.247
121 HH21 ARG 16 1HH2 ARG 16 -13.477 1.846 6.822
122 HH22 ARG 16 2HH2 ARG 16 -13.591 0.336 7.657
123 H ALA 17 H ALA 17 -8.880 5.579 3.511
124 HA ALA 17 HA ALA 17 -7.111 7.618 4.396
125 HB1 ALA 17 1HB ALA 17 -6.484 5.817 2.828
126 HB2 ALA 17 2HB ALA 17 -7.637 6.466 1.623
127 HB3 ALA 17 3HB ALA 17 -6.219 7.422 2.121
128 H GLU 18 H GLU 18 -9.673 7.639 1.872
129 HA GLU 18 HA GLU 18 -9.509 10.385 1.167
130 HB3 GLU 18 2HB GLU 18 -12.030 9.922 0.660
131 HG3 GLU 18 2HG GLU 18 -9.907 8.197 -0.693
132 H LEU 19 H LEU 19 -11.267 8.704 3.783
133 HA LEU 19 HA LEU 19 -12.824 10.813 4.782
134 HB3 LEU 19 2HB LEU 19 -11.625 9.064 6.881
135 HG LEU 19 HG LEU 19 -14.372 9.389 5.683
136 HD11 LEU 19 1HD1 LEU 19 -13.975 7.039 6.383
137 HD12 LEU 19 2HD1 LEU 19 -15.167 7.815 7.407
138 HD13 LEU 19 3HD1 LEU 19 -13.506 7.603 8.007
139 HD21 LEU 19 3HD2 LEU 19 -13.299 10.131 8.446
140 HD22 LEU 19 1HD2 LEU 19 -14.986 10.301 7.912
141 HD23 LEU 19 2HD2 LEU 19 -13.725 11.263 7.142
142 H GLY 20 H GLY 20 -9.502 9.925 5.545
143 HA2 GLY 20 1HA GLY 20 -8.990 11.999 7.483
144 HA3 GLY 20 2HA GLY 20 -7.767 11.155 6.525
145 H GLY 21 H GLY 21 -9.171 12.054 3.973
146 HA2 GLY 21 1HA GLY 21 -9.359 14.056 2.696
147 HA3 GLY 21 2HA GLY 21 -8.414 14.933 3.896
148 H ALA 22 H ALA 22 -7.631 11.735 2.423
149 HA ALA 22 HA ALA 22 -5.205 12.887 1.133
150 HB1 ALA 22 1HB ALA 22 -6.134 9.989 1.455
151 HB2 ALA 22 2HB ALA 22 -4.606 10.520 0.732
152 HB3 ALA 22 3HB ALA 22 -4.899 10.789 2.450
153 H PHE 23 H PHE 23 -4.859 12.362 -1.112
154 HA PHE 23 HA PHE 23 -7.290 11.770 -2.727
155 HB3 PHE 23 2HB PHE 23 -4.535 12.491 -3.786
156 HD1 PHE 23 1HD PHE 23 -7.840 13.889 -4.631
157 HD2 PHE 23 2HD PHE 23 -4.877 10.946 -5.738
158 HE1 PHE 23 1HE PHE 23 -9.028 13.488 -6.754
159 HE2 PHE 23 2HE PHE 23 -6.074 10.562 -7.879
160 HZ PHE 23 HZ PHE 23 -8.170 11.827 -8.375
161 H ALA 24 H ALA 24 -7.410 9.639 -1.782
162 HA ALA 24 HA ALA 24 -5.155 7.840 -2.309
163 HB1 ALA 24 1HB ALA 24 -7.790 7.287 -0.895
164 HB2 ALA 24 2HB ALA 24 -6.355 6.239 -0.947
165 HB3 ALA 24 3HB ALA 24 -6.280 7.790 -0.094
166 H THR 25 H THR 25 -5.445 6.028 -3.724
167 HA THR 25 HA THR 25 -8.023 5.409 -4.750
168 HB THR 25 HB THR 25 -7.368 7.386 -6.190
169 HG1 THR 25 1HG THR 25 -8.744 6.662 -7.427
170 HG21 THR 25 3HG2 THR 25 -5.993 6.995 -8.120
171 HG22 THR 25 1HG2 THR 25 -5.692 5.312 -7.636
172 HG23 THR 25 2HG2 THR 25 -5.041 6.654 -6.663
173 H VAL 26 H VAL 26 -7.873 3.581 -6.374
174 HA VAL 26 HA VAL 26 -5.645 1.761 -5.653
175 HB VAL 26 HB VAL 26 -7.729 0.835 -5.064
176 HG11 VAL 26 1HG1 VAL 26 -9.389 1.978 -6.391
177 HG12 VAL 26 2HG1 VAL 26 -8.774 1.221 -7.877
178 HG13 VAL 26 3HG1 VAL 26 -9.524 0.218 -6.614
179 HG21 VAL 26 3HG2 VAL 26 -6.793 -0.462 -7.659
180 HG22 VAL 26 1HG2 VAL 26 -6.050 -0.692 -6.057
181 HG23 VAL 26 2HG2 VAL 26 -7.704 -1.250 -6.374
182 H ALA 27 H ALA 27 -4.229 1.270 -7.200
183 HA ALA 27 HA ALA 27 -4.604 2.492 -9.894
184 HB1 ALA 27 1HB ALA 27 -2.016 2.089 -8.358
185 HB2 ALA 27 2HB ALA 27 -2.255 3.011 -9.853
186 HB3 ALA 27 3HB ALA 27 -2.965 3.582 -8.321
187 H ARG 28 H ARG 28 -4.630 -0.495 -8.459
188 HA ARG 28 HA ARG 28 -4.150 -1.839 -10.941
189 HB3 ARG 28 2HB ARG 28 -2.385 -2.757 -8.682
190 HG3 ARG 28 2HG ARG 28 -2.325 -3.142 -11.675
191 HD3 ARG 28 2HD ARG 28 -0.235 -4.134 -9.719
192 HE ARG 28 HE ARG 28 -0.419 -5.109 -12.021
193 HH11 ARG 28 1HH1 ARG 28 1.577 -2.170 -11.528
194 HH12 ARG 28 2HH1 ARG 28 2.090 -2.169 -13.202
195 HH21 ARG 28 1HH2 ARG 28 0.524 -5.246 -13.916
196 HH22 ARG 28 2HH2 ARG 28 1.723 -4.134 -14.514
197 H LYS 29 H LYS 29 -5.239 -3.914 -10.819
198 HA LYS 29 HA LYS 29 -6.561 -4.512 -8.224
199 HB3 LYS 29 2HB LYS 29 -7.948 -4.155 -10.896
200 HG3 LYS 29 2HG LYS 29 -8.705 -5.647 -8.407
201 HD3 LYS 29 2HD LYS 29 -10.202 -3.725 -8.242
202 HE3 LYS 29 2HE LYS 29 -10.231 -2.936 -10.548
203 HZ1 LYS 29 3HZ LYS 29 -11.891 -5.300 -11.163
204 HZ2 LYS 29 1HZ LYS 29 -10.336 -5.047 -11.706
205 HZ3 LYS 29 2HZ LYS 29 -11.541 -4.040 -12.166
206 H GLY 30 H GLY 30 -5.216 -6.139 -7.842
207 HA2 GLY 30 1HA GLY 30 -4.647 -8.290 -9.682
208 HA3 GLY 30 2HA GLY 30 -4.277 -8.209 -7.954
209 H ASP 31 H ASP 31 -5.026 -10.416 -7.811
210 HA ASP 31 HA ASP 31 -7.658 -11.258 -8.540
211 HB3 ASP 31 2HB ASP 31 -6.247 -12.411 -6.188
212 H ALA 32 H ALA 32 -9.630 -11.055 -7.390
213 HA ALA 32 HA ALA 32 -9.658 -9.289 -5.087
214 HB1 ALA 32 1HB ALA 32 -11.460 -9.285 -6.769
215 HB2 ALA 32 2HB ALA 32 -11.920 -10.939 -6.275
216 HB3 ALA 32 3HB ALA 32 -12.058 -9.586 -5.128
217 H ARG 33 H ARG 33 -9.238 -12.721 -5.327
218 HA ARG 33 HA ARG 33 -9.924 -13.075 -2.432
219 HB3 ARG 33 2HB ARG 33 -9.410 -15.524 -3.028
220 HG3 ARG 33 2HG ARG 33 -11.732 -14.510 -2.665
221 HD3 ARG 33 2HD ARG 33 -12.123 -13.542 -4.909
222 HE ARG 33 HE ARG 33 -11.316 -14.835 -6.628
223 HH11 ARG 33 1HH1 ARG 33 -13.541 -16.953 -4.796
224 HH12 ARG 33 2HH1 ARG 33 -13.692 -18.057 -6.122
225 HH21 ARG 33 1HH2 ARG 33 -11.580 -16.181 -8.244
226 HH22 ARG 33 2HH2 ARG 33 -12.679 -17.536 -8.213
227 H ALA 34 H ALA 34 -7.405 -13.701 -4.944
228 HA ALA 34 HA ALA 34 -5.494 -14.227 -2.727
229 HB1 ALA 34 1HB ALA 34 -5.918 -15.867 -5.266
230 HB2 ALA 34 2HB ALA 34 -4.739 -16.205 -3.983
231 HB3 ALA 34 3HB ALA 34 -6.470 -16.330 -3.636
232 H GLY 35 H GLY 35 -5.550 -11.780 -3.741
233 HA2 GLY 35 1HA GLY 35 -3.174 -11.647 -5.541
234 HA3 GLY 35 2HA GLY 35 -4.456 -10.444 -5.438
235 H ALA 36 H ALA 36 -1.612 -10.166 -4.967
236 HA ALA 36 HA ALA 36 -1.284 -9.668 -2.056
237 HB1 ALA 36 1HB ALA 36 0.602 -10.621 -3.269
238 HB2 ALA 36 2HB ALA 36 0.614 -9.257 -4.408
239 HB3 ALA 36 3HB ALA 36 1.015 -8.996 -2.696
240 H VAL 37 H VAL 37 -0.293 -7.375 -1.526
241 HA VAL 37 HA VAL 37 -1.552 -5.228 -3.181
242 HB VAL 37 HB VAL 37 -1.743 -5.427 -0.154
243 HG11 VAL 37 1HG1 VAL 37 -1.913 -3.111 -0.993
244 HG12 VAL 37 2HG1 VAL 37 -3.146 -3.606 -2.174
245 HG13 VAL 37 3HG1 VAL 37 -3.496 -3.646 -0.434
246 HG21 VAL 37 3HG2 VAL 37 -3.150 -7.201 -0.987
247 HG22 VAL 37 1HG2 VAL 37 -4.168 -5.877 -0.425
248 HG23 VAL 37 2HG2 VAL 37 -3.900 -6.096 -2.167
249 H LEU 38 H LEU 38 -0.372 -3.410 -3.388
250 HA LEU 38 HA LEU 38 1.956 -2.899 -1.586
251 HB3 LEU 38 2HB LEU 38 2.692 -1.307 -3.281
252 HG LEU 38 HG LEU 38 2.045 -3.864 -4.810
253 HD11 LEU 38 1HD1 LEU 38 2.939 -2.014 -6.136
254 HD12 LEU 38 2HD1 LEU 38 4.193 -3.263 -5.949
255 HD13 LEU 38 3HD1 LEU 38 4.247 -1.773 -4.982
256 HD21 LEU 38 3HD2 LEU 38 3.069 -4.549 -2.698
257 HD22 LEU 38 1HD2 LEU 38 4.300 -3.280 -2.840
258 HD23 LEU 38 2HD2 LEU 38 4.263 -4.669 -3.973
259 H VAL 39 H VAL 39 2.145 -0.787 -0.729
260 HA VAL 39 HA VAL 39 -0.158 1.032 -1.071
261 HB VAL 39 HB VAL 39 0.849 0.252 1.682
262 HG11 VAL 39 1HG1 VAL 39 -1.336 2.195 0.775
263 HG12 VAL 39 2HG1 VAL 39 -1.000 1.751 2.460
264 HG13 VAL 39 3HG1 VAL 39 0.203 2.643 1.533
265 HG21 VAL 39 3HG2 VAL 39 -1.897 -0.239 0.450
266 HG22 VAL 39 1HG2 VAL 39 -0.650 -1.478 0.644
267 HG23 VAL 39 2HG2 VAL 39 -1.317 -0.729 2.068
268 H LYS 40 H LYS 40 0.866 2.752 -1.995
269 HA LYS 40 HA LYS 40 3.518 3.587 -0.947
270 HB3 LYS 40 2HB LYS 40 1.992 4.373 -3.429
271 HG3 LYS 40 2HG LYS 40 4.841 5.029 -2.558
272 HD3 LYS 40 2HD LYS 40 3.967 4.438 -5.187
273 HE3 LYS 40 2HE LYS 40 4.816 7.282 -5.391
274 HZ1 LYS 40 3HZ LYS 40 3.986 5.878 -7.330
275 HZ2 LYS 40 1HZ LYS 40 3.132 7.252 -7.112
276 HZ3 LYS 40 2HZ LYS 40 2.518 5.851 -6.559
277 H ALA 41 H ALA 41 3.769 5.777 -0.197
278 HA ALA 41 HA ALA 41 1.289 7.125 0.716
279 HB1 ALA 41 1HB ALA 41 3.614 6.174 2.451
280 HB2 ALA 41 2HB ALA 41 2.281 7.193 3.003
281 HB3 ALA 41 3HB ALA 41 1.951 5.528 2.493
282 H VAL 42 H VAL 42 1.572 9.121 -0.205
283 HA VAL 42 HA VAL 42 4.355 10.162 -0.484
284 HB VAL 42 HB VAL 42 1.962 10.645 -2.284
285 HG11 VAL 42 1HG1 VAL 42 4.944 11.216 -2.646
286 HG12 VAL 42 2HG1 VAL 42 3.687 11.516 -3.847
287 HG13 VAL 42 3HG1 VAL 42 3.702 12.448 -2.335
288 HG21 VAL 42 3HG2 VAL 42 3.149 9.195 -3.923
289 HG22 VAL 42 1HG2 VAL 42 4.377 8.802 -2.696
290 HG23 VAL 42 2HG2 VAL 42 2.688 8.290 -2.483
291 H ASP 43 H ASP 43 4.753 11.901 0.723
292 HA ASP 43 HA ASP 43 2.549 13.349 2.083
293 HB3 ASP 43 2HB ASP 43 5.553 13.489 2.495
294 H ARG 44 H ARG 44 1.840 14.606 0.199
295 HA ARG 44 HA ARG 44 3.783 16.327 -1.167
296 HB3 ARG 44 2HB ARG 44 1.697 17.341 -2.185
297 HG3 ARG 44 2HG ARG 44 0.925 15.072 -3.248
298 HD3 ARG 44 2HD ARG 44 3.197 14.781 -4.376
299 HE ARG 44 HE ARG 44 1.311 16.492 -4.973
300 HH11 ARG 44 1HH1 ARG 44 4.809 17.081 -4.853
301 HH12 ARG 44 2HH1 ARG 44 4.728 18.474 -5.883
302 HH21 ARG 44 1HH2 ARG 44 1.211 18.152 -6.347
303 HH22 ARG 44 2HH2 ARG 44 2.615 19.012 -6.912
304 H ARG 45 H ARG 45 2.883 16.572 2.053
305 HA ARG 45 HA ARG 45 2.243 19.445 1.963
306 HB3 ARG 45 2HB ARG 45 2.882 18.215 4.591
307 HG3 ARG 45 2HG ARG 45 0.227 19.279 3.614
308 HD3 ARG 45 2HD ARG 45 1.694 19.569 6.290
309 HE ARG 45 HE ARG 45 -0.845 19.644 6.931
310 HH11 ARG 45 1HH1 ARG 45 0.971 21.942 4.996
311 HH12 ARG 45 2HH1 ARG 45 -0.355 23.044 4.746
312 HH21 ARG 45 1HH2 ARG 45 -2.389 21.298 7.074
313 HH22 ARG 45 2HH2 ARG 45 -2.399 22.607 5.967
314 H GLU 46 H GLU 46 4.689 17.194 3.279
315 HA GLU 46 HA GLU 46 6.670 19.317 3.650
316 HB3 GLU 46 2HB GLU 46 8.051 17.532 4.557
317 HG3 GLU 46 2HG GLU 46 5.291 16.772 5.503
318 H GLY 47 H GLY 47 5.838 16.885 1.220
319 HA2 GLY 47 1HA GLY 47 6.712 16.735 -0.956
320 HA3 GLY 47 2HA GLY 47 8.045 17.804 -0.523
321 H THR 48 H THR 48 6.854 14.832 1.148
322 HA THR 48 HA THR 48 9.371 13.433 0.459
323 HB THR 48 HB THR 48 9.133 12.328 2.754
324 HG1 THR 48 1HG THR 48 7.390 12.923 3.727
325 HG21 THR 48 3HG2 THR 48 9.679 15.329 2.850
326 HG22 THR 48 1HG2 THR 48 10.797 14.178 2.070
327 HG23 THR 48 2HG2 THR 48 10.445 14.034 3.795
328 H ALA 49 H ALA 49 8.988 10.854 0.944
329 HA ALA 49 HA ALA 49 6.239 10.006 0.618
330 HB1 ALA 49 1HB ALA 49 6.990 10.490 -1.783
331 HB2 ALA 49 2HB ALA 49 8.280 9.300 -1.531
332 HB3 ALA 49 3HB ALA 49 6.593 8.785 -1.485
333 H ARG 50 H ARG 50 6.137 7.601 0.663
334 HA ARG 50 HA ARG 50 8.574 6.033 1.094
335 HB3 ARG 50 2HB ARG 50 6.787 5.029 3.035
336 HG3 ARG 50 2HG ARG 50 9.318 6.665 3.184
337 HD3 ARG 50 2HD ARG 50 9.089 5.871 5.705
338 HE ARG 50 HE ARG 50 8.600 8.349 4.443
339 HH11 ARG 50 1HH1 ARG 50 8.196 6.702 7.548
340 HH12 ARG 50 2HH1 ARG 50 7.958 8.136 8.488
341 HH21 ARG 50 1HH2 ARG 50 8.278 10.312 5.653
342 HH22 ARG 50 2HH2 ARG 50 8.081 10.275 7.358
343 H LEU 51 H LEU 51 7.963 3.620 1.038
344 HA LEU 51 HA LEU 51 5.337 3.102 -0.234
345 HB3 LEU 51 2HB LEU 51 7.842 1.916 -1.417
346 HG LEU 51 HG LEU 51 5.318 2.876 -2.804
347 HD11 LEU 51 1HD1 LEU 51 7.415 2.874 -4.020
348 HD12 LEU 51 2HD1 LEU 51 6.284 1.708 -4.709
349 HD13 LEU 51 3HD1 LEU 51 7.633 1.154 -3.669
350 HD21 LEU 51 3HD2 LEU 51 4.805 0.556 -3.411
351 HD22 LEU 51 1HD2 LEU 51 4.522 0.877 -1.710
352 HD23 LEU 51 2HD2 LEU 51 6.008 -0.023 -2.240
353 H PHE 52 H PHE 52 4.466 1.196 0.403
354 HA PHE 52 HA PHE 52 6.158 -0.560 2.109
355 HB3 PHE 52 2HB PHE 52 4.115 -0.926 3.433
356 HD1 PHE 52 1HD PHE 52 3.750 2.656 2.379
357 HD2 PHE 52 2HD PHE 52 5.548 -0.075 5.198
358 HE1 PHE 52 1HE PHE 52 4.455 4.566 3.783
359 HE2 PHE 52 2HE PHE 52 6.209 1.851 6.611
360 HZ PHE 52 HZ PHE 52 5.696 4.174 5.899
361 H SER 53 H SER 53 5.520 -2.778 2.032
362 HA SER 53 HA SER 53 3.794 -3.767 -0.172
363 HB3 SER 53 2HB SER 53 6.053 -5.525 0.447
364 HG SER 53 HG SER 53 4.968 -5.518 -1.576
365 H GLU 54 H GLU 54 2.814 -5.829 0.499
366 HA GLU 54 HA GLU 54 2.601 -6.263 3.353
367 HB3 GLU 54 2HB GLU 54 0.826 -6.854 1.761
368 HG3 GLU 54 2HG GLU 54 2.814 -8.979 0.885
369 H ALA 55 H ALA 55 3.354 -8.263 4.401
370 HA ALA 55 HA ALA 55 5.171 -10.020 3.044
371 HB1 ALA 55 1HB ALA 55 6.108 -8.247 5.339
372 HB2 ALA 55 2HB ALA 55 6.808 -9.849 5.048
373 HB3 ALA 55 3HB ALA 55 6.943 -8.609 3.796
374 H THR 56 H THR 56 5.618 -11.864 4.588
375 HA THR 56 HA THR 56 3.657 -12.090 6.745
376 HB THR 56 HB THR 56 3.321 -14.545 5.711
377 HG1 THR 56 1HG THR 56 3.144 -13.062 3.357
378 HG21 THR 56 3HG2 THR 56 1.170 -13.783 4.851
379 HG22 THR 56 1HG2 THR 56 1.739 -12.096 4.822
380 HG23 THR 56 2HG2 THR 56 1.557 -12.952 6.356
381 H ARG 57 H ARG 57 4.036 -13.793 8.149
382 HA ARG 57 HA ARG 57 6.924 -14.309 8.510
383 HB3 ARG 57 2HB ARG 57 6.417 -14.651 10.828
384 HG3 ARG 57 2HG ARG 57 4.492 -12.465 10.693
385 HD3 ARG 57 2HD ARG 57 6.351 -12.999 12.362
386 HE ARG 57 HE ARG 57 7.908 -11.784 10.157
387 HH11 ARG 57 1HH1 ARG 57 7.871 -12.874 13.530
388 HH12 ARG 57 2HH1 ARG 57 9.556 -12.560 13.792
389 HH21 ARG 57 1HH2 ARG 57 9.949 -10.837 10.714
390 HH22 ARG 57 2HH2 ARG 57 10.714 -11.303 12.212
391 H GLY 58 H GLY 58 7.235 -16.374 9.962
392 HA2 GLY 58 1HA GLY 58 7.065 -18.676 8.413
393 HA3 GLY 58 2HA GLY 58 7.179 -18.669 10.181
394 H ASP 59 H ASP 59 4.698 -17.488 10.819
395 HA ASP 59 HA ASP 59 2.895 -19.697 10.396
396 HB3 ASP 59 2HB ASP 59 2.410 -17.114 11.812
397 H GLY 60 H GLY 60 3.400 -17.115 8.362
398 HA2 GLY 60 1HA GLY 60 2.061 -16.246 6.616
399 HA3 GLY 60 2HA GLY 60 0.682 -17.163 7.215
400 H GLU 61 H GLU 61 2.317 -15.446 9.664
401 HA GLU 61 HA GLU 61 0.085 -13.697 10.256
402 HB3 GLU 61 2HB GLU 61 2.911 -13.738 11.391
403 HG3 GLU 61 2HG GLU 61 0.624 -12.214 12.144
404 H ARG 62 H ARG 62 -0.144 -11.567 9.461
405 HA ARG 62 HA ARG 62 1.915 -10.813 7.454
406 HB3 ARG 62 2HB ARG 62 -1.032 -10.204 7.718
407 HG3 ARG 62 2HG ARG 62 0.955 -9.272 5.635
408 HD3 ARG 62 2HD ARG 62 -1.808 -10.324 5.231
409 HE ARG 62 HE ARG 62 -1.254 -7.723 4.448
410 HH11 ARG 62 1HH1 ARG 62 -2.559 -10.652 3.027
411 HH12 ARG 62 2HH1 ARG 62 -2.513 -10.113 1.379
412 HH21 ARG 62 1HH2 ARG 62 -1.399 -6.838 2.284
413 HH22 ARG 62 2HH2 ARG 62 -1.544 -7.978 0.989
414 H PHE 63 H PHE 63 2.464 -8.676 7.003
415 HA PHE 63 HA PHE 63 1.865 -6.510 8.847
416 HB3 PHE 63 2HB PHE 63 3.690 -7.545 10.032
417 HD1 PHE 63 2HD PHE 63 4.256 -9.780 8.635
418 HD2 PHE 63 1HD PHE 63 6.362 -5.999 8.144
419 HE1 PHE 63 2HE PHE 63 6.267 -10.955 7.850
420 HE2 PHE 63 1HE PHE 63 8.364 -7.249 7.498
421 HZ PHE 63 HZ PHE 63 8.354 -9.720 7.394
422 H TRP 64 H TRP 64 2.882 -4.459 8.013
423 HA TRP 64 HA TRP 64 3.269 -4.470 5.051
424 HB3 TRP 64 2HB TRP 64 2.918 -2.012 5.302
425 HD1 TRP 64 HD TRP 64 0.207 -2.889 7.707
426 HE1 TRP 64 1HE TRP 64 -1.984 -3.370 6.453
427 HE3 TRP 64 3HE TRP 64 2.053 -3.126 2.945
428 HZ2 TRP 64 2HZ TRP 64 -2.824 -3.821 3.725
429 HZ3 TRP 64 3HZ TRP 64 0.575 -3.684 1.058
430 HH2 TRP 64 HH TRP 64 -1.877 -4.016 1.440
431 H MET 65 H MET 65 5.402 -4.750 4.697
432 HA MET 65 HA MET 65 7.397 -3.307 6.390
433 HB3 MET 65 2HB MET 65 7.805 -5.694 6.052
434 HG3 MET 65 2HG MET 65 7.392 -5.011 3.195
435 HE1 MET 65 3HE MET 65 9.521 -7.701 5.128
436 HE2 MET 65 1HE MET 65 11.054 -7.676 4.228
437 HE3 MET 65 2HE MET 65 10.587 -6.284 5.216
438 H GLN 66 H GLN 66 9.308 -2.452 4.936
439 HA GLN 66 HA GLN 66 8.229 -1.190 2.472
440 HB3 GLN 66 2HB GLN 66 8.053 0.599 3.844
441 HG3 GLN 66 2HG GLN 66 10.653 -0.208 5.095
442 HE21 GLN 66 1HE2 GLN 66 8.260 1.992 6.416
443 HE22 GLN 66 2HE2 GLN 66 9.233 3.431 6.437
444 HA PRO 67 HA PRO 67 11.954 -3.704 1.591
445 HB3 PRO 67 2HB PRO 67 10.595 -5.320 0.684
446 HG3 PRO 67 2HG PRO 67 8.596 -4.734 -0.471
447 HD3 PRO 67 2HD PRO 67 8.462 -3.832 1.727
448 H VAL 68 H VAL 68 11.063 -0.678 0.464
449 HA VAL 68 HA VAL 68 13.500 -0.506 -1.182
450 HB VAL 68 HB VAL 68 11.852 -0.563 -2.815
451 HG11 VAL 68 1HG1 VAL 68 10.207 1.447 -1.243
452 HG12 VAL 68 2HG1 VAL 68 9.892 0.954 -2.933
453 HG13 VAL 68 3HG1 VAL 68 9.788 -0.252 -1.641
454 HG21 VAL 68 3HG2 VAL 68 12.451 2.380 -2.382
455 HG22 VAL 68 1HG2 VAL 68 13.579 1.199 -3.067
456 HG23 VAL 68 2HG2 VAL 68 12.073 1.584 -3.909
457 H ARG 69 H ARG 69 14.657 0.049 0.305
458 HA ARG 69 HA ARG 69 14.225 2.228 2.174
459 HB3 ARG 69 2HB ARG 69 15.431 0.318 2.891
460 HG3 ARG 69 2HG ARG 69 16.580 0.049 0.346
461 HD3 ARG 69 2HD ARG 69 18.336 1.636 0.826
462 HE ARG 69 HE ARG 69 18.713 0.011 3.293
463 HH11 ARG 69 1HH1 ARG 69 19.794 2.845 1.399
464 HH12 ARG 69 2HH1 ARG 69 20.885 3.377 2.633
465 HH21 ARG 69 1HH2 ARG 69 20.318 0.514 4.668
466 HH22 ARG 69 2HH2 ARG 69 21.289 1.933 4.511
467 H SER 70 H SER 70 13.656 3.457 0.007
468 HA SER 70 HA SER 70 15.801 5.379 -0.250
469 HB3 SER 70 2HB SER 70 14.267 4.388 -2.709
470 HG SER 70 HG SER 70 15.756 5.786 -3.772
471 H THR 71 H THR 71 14.812 7.422 -0.851
472 HA THR 71 HA THR 71 11.913 7.636 -0.290
473 HB THR 71 HB THR 71 13.467 8.283 1.559
474 HG1 THR 71 1HG THR 71 11.633 10.294 0.756
475 HG21 THR 71 3HG2 THR 71 15.008 9.462 0.122
476 HG22 THR 71 1HG2 THR 71 14.360 10.513 1.413
477 HG23 THR 71 2HG2 THR 71 13.735 10.651 -0.254
478 H PHE 72 H PHE 72 14.234 7.765 -2.708
479 HA PHE 72 HA PHE 72 13.439 10.210 -4.025
480 HB3 PHE 72 2HB PHE 72 14.530 8.856 -6.032
481 HD1 PHE 72 2HD PHE 72 15.129 11.224 -6.270
482 HD2 PHE 72 1HD PHE 72 16.813 8.791 -3.129
483 HE1 PHE 72 2HE PHE 72 16.819 12.991 -5.797
484 HE2 PHE 72 1HE PHE 72 18.492 10.562 -2.664
485 HZ PHE 72 HZ PHE 72 18.504 12.658 -4.020
486 H GLU 73 H GLU 73 11.774 10.576 -5.154
487 HA GLU 73 HA GLU 73 9.494 9.160 -5.279
488 HB3 GLU 73 2HB GLU 73 10.494 11.185 -7.293
489 HG3 GLU 73 2HG GLU 73 7.793 11.106 -5.907
490 HA PRO 74 HA PRO 74 10.170 7.312 -9.617
491 HB3 PRO 74 2HB PRO 74 11.682 8.392 -10.989
492 HG3 PRO 74 2HG PRO 74 13.611 9.456 -10.065
493 HD3 PRO 74 2HD PRO 74 11.715 10.271 -8.892
494 H ASP 75 H ASP 75 12.592 6.732 -7.049
495 HA ASP 75 HA ASP 75 13.165 3.983 -7.771
496 HB3 ASP 75 2HB ASP 75 13.893 3.793 -5.349
497 H LEU 76 H LEU 76 10.883 5.696 -5.802
498 HA LEU 76 HA LEU 76 9.624 3.383 -4.633
499 HB3 LEU 76 2HB LEU 76 7.916 5.129 -3.857
500 HG LEU 76 HG LEU 76 10.859 5.821 -3.447
501 HD11 LEU 76 1HD1 LEU 76 10.067 7.098 -1.470
502 HD12 LEU 76 2HD1 LEU 76 8.392 6.843 -2.001
503 HD13 LEU 76 3HD1 LEU 76 9.519 7.780 -3.012
504 HD21 LEU 76 3HD2 LEU 76 10.890 4.530 -1.571
505 HD22 LEU 76 1HD2 LEU 76 9.841 3.539 -2.560
506 HD23 LEU 76 2HD2 LEU 76 9.153 4.601 -1.311
507 H ASP 77 H ASP 77 8.507 5.778 -7.149
508 HA ASP 77 HA ASP 77 6.153 4.302 -7.666
509 HB3 ASP 77 2HB ASP 77 7.570 6.003 -9.740
510 H ALA 78 H ALA 78 9.409 3.860 -9.020
511 HA ALA 78 HA ALA 78 8.703 2.006 -11.045
512 HB1 ALA 78 1HB ALA 78 11.269 2.232 -9.412
513 HB2 ALA 78 2HB ALA 78 11.071 1.278 -10.897
514 HB3 ALA 78 3HB ALA 78 10.917 3.041 -10.959
515 H TYR 79 H TYR 79 9.028 1.504 -7.502
516 HA TYR 79 HA TYR 79 9.337 -1.349 -7.576
517 HB3 TYR 79 2HB TYR 79 7.736 0.193 -5.562
518 HD1 TYR 79 1HD TYR 79 6.436 -1.704 -4.977
519 HD2 TYR 79 2HD TYR 79 10.738 -1.901 -4.825
520 HE1 TYR 79 1HE TYR 79 6.290 -3.843 -3.776
521 HE2 TYR 79 2HE TYR 79 10.590 -4.024 -3.550
522 HH TYR 79 HH TYR 79 7.420 -5.454 -2.635
523 H ALA 80 H ALA 80 6.466 0.790 -7.544
524 HA ALA 80 HA ALA 80 4.546 -1.334 -7.531
525 HB1 ALA 80 1HB ALA 80 4.152 0.924 -6.591
526 HB2 ALA 80 2HB ALA 80 4.271 1.609 -8.235
527 HB3 ALA 80 3HB ALA 80 2.938 0.509 -7.815
528 H GLU 81 H GLU 81 6.545 -0.495 -10.113
529 HA GLU 81 HA GLU 81 4.637 -1.736 -11.999
530 HB3 GLU 81 2HB GLU 81 7.256 -0.223 -12.283
531 HG3 GLU 81 2HG GLU 81 6.003 -2.264 -14.154
532 H ARG 82 H ARG 82 7.892 -1.928 -10.513
533 HA ARG 82 HA ARG 82 8.870 -4.182 -11.680
534 HB3 ARG 82 2HB ARG 82 9.258 -3.441 -8.736
535 HG3 ARG 82 2HG ARG 82 11.358 -4.447 -10.666
536 HD3 ARG 82 2HD ARG 82 11.729 -3.245 -8.285
537 HE ARG 82 HE ARG 82 10.432 -5.514 -7.363
538 HH11 ARG 82 1HH1 ARG 82 13.476 -3.946 -6.519
539 HH12 ARG 82 2HH1 ARG 82 13.903 -5.193 -5.369
540 HH21 ARG 82 1HH2 ARG 82 11.056 -7.124 -5.889
541 HH22 ARG 82 2HH2 ARG 82 12.517 -6.916 -4.952
542 H ALA 83 H ALA 83 6.967 -4.097 -8.667
543 HA ALA 83 HA ALA 83 7.275 -6.792 -8.003
544 HB1 ALA 83 1HB ALA 83 4.910 -4.897 -7.514
545 HB2 ALA 83 2HB ALA 83 5.221 -6.399 -6.628
546 HB3 ALA 83 3HB ALA 83 6.341 -5.025 -6.475
547 H ALA 84 H ALA 84 4.893 -5.289 -10.133
548 HA ALA 84 HA ALA 84 3.168 -7.587 -10.186
549 HB1 ALA 84 1HB ALA 84 3.402 -5.176 -12.044
550 HB2 ALA 84 2HB ALA 84 2.019 -6.290 -11.930
551 HB3 ALA 84 3HB ALA 84 2.435 -5.243 -10.552
552 H ARG 85 H ARG 85 6.203 -7.138 -11.592
553 HA ARG 85 HA ARG 85 5.573 -8.615 -14.107
554 HB3 ARG 85 2HB ARG 85 7.998 -8.305 -14.562
555 HG3 ARG 85 2HG ARG 85 6.511 -5.753 -13.789
556 HD3 ARG 85 2HD ARG 85 8.978 -6.301 -15.486
557 HE ARG 85 HE ARG 85 8.292 -3.548 -15.209
558 HH11 ARG 85 1HH1 ARG 85 7.495 -6.392 -17.195
559 HH12 ARG 85 2HH1 ARG 85 7.012 -5.454 -18.567
560 HH21 ARG 85 1HH2 ARG 85 7.560 -2.323 -16.992
561 HH22 ARG 85 2HH2 ARG 85 6.753 -3.085 -18.325
562 H ILE 86 H ILE 86 6.296 -9.315 -10.913
563 HA ILE 86 HA ILE 86 6.923 -12.133 -11.677
564 HB ILE 86 HB ILE 86 8.018 -10.917 -9.122
565 HG13 ILE 86 2HG1 ILE 86 9.329 -10.840 -11.867
566 HG21 ILE 86 1HG2 ILE 86 8.759 -13.344 -10.818
567 HG22 ILE 86 2HG2 ILE 86 9.569 -12.854 -9.318
568 HG23 ILE 86 3HG2 ILE 86 7.897 -13.363 -9.267
569 HD11 ILE 86 3HD1 ILE 86 10.320 -8.738 -10.942
570 HD12 ILE 86 1HD1 ILE 86 8.563 -8.651 -10.982
571 HD13 ILE 86 2HD1 ILE 86 9.390 -8.962 -9.448
572 H ASP 87 H ASP 87 5.159 -9.935 -9.430
573 HA ASP 87 HA ASP 87 3.947 -12.190 -8.013
574 HB3 ASP 87 2HB ASP 87 2.290 -10.179 -7.430
575 HA PRO 88 HA PRO 88 1.365 -13.444 -11.025
576 HB3 PRO 88 2HB PRO 88 1.037 -15.275 -9.665
577 HG3 PRO 88 2HG PRO 88 0.601 -15.003 -7.298
578 HD3 PRO 88 2HD PRO 88 2.609 -13.881 -7.839
579 H ASP 89 H ASP 89 -0.341 -11.470 -8.632
580 HA ASP 89 HA ASP 89 -1.579 -9.848 -10.554
581 HB3 ASP 89 2HB ASP 89 -3.921 -10.894 -9.218
582 H ILE 90 H ILE 90 -0.759 -8.232 -9.315
583 HA ILE 90 HA ILE 90 -1.385 -8.176 -6.405
584 HB ILE 90 HB ILE 90 0.899 -8.578 -6.772
585 HG13 ILE 90 2HG1 ILE 90 0.237 -6.845 -5.037
586 HG21 ILE 90 1HG2 ILE 90 0.840 -6.262 -8.724
587 HG22 ILE 90 2HG2 ILE 90 2.351 -6.981 -8.125
588 HG23 ILE 90 3HG2 ILE 90 1.232 -7.957 -9.054
589 HD11 ILE 90 3HD1 ILE 90 2.511 -7.900 -5.177
590 HD12 ILE 90 1HD1 ILE 90 3.041 -6.504 -6.139
591 HD13 ILE 90 2HD1 ILE 90 2.490 -6.280 -4.463
592 H TRP 91 H TRP 91 -2.140 -6.428 -5.511
593 HA TRP 91 HA TRP 91 -3.419 -4.372 -7.199
594 HB3 TRP 91 2HB TRP 91 -4.440 -3.697 -5.008
595 HD1 TRP 91 HD TRP 91 -4.243 -7.566 -5.454
596 HE1 TRP 91 1HE TRP 91 -6.623 -8.462 -5.732
597 HE3 TRP 91 3HE TRP 91 -6.693 -3.164 -5.525
598 HZ2 TRP 91 2HZ TRP 91 -9.313 -7.343 -5.963
599 HZ3 TRP 91 3HZ TRP 91 -9.180 -3.033 -5.769
600 HH2 TRP 91 HH TRP 91 -10.496 -5.158 -5.938
601 H VAL 92 H VAL 92 -3.225 -2.094 -6.528
602 HA VAL 92 HA VAL 92 -0.743 -1.306 -5.122
603 HB VAL 92 HB VAL 92 -1.638 -0.378 -7.890
604 HG11 VAL 92 1HG1 VAL 92 0.277 1.084 -7.963
605 HG12 VAL 92 2HG1 VAL 92 -0.684 1.486 -6.537
606 HG13 VAL 92 3HG1 VAL 92 0.816 0.547 -6.363
607 HG21 VAL 92 3HG2 VAL 92 0.949 -1.771 -7.088
608 HG22 VAL 92 1HG2 VAL 92 -0.371 -2.549 -7.955
609 HG23 VAL 92 2HG2 VAL 92 0.504 -1.224 -8.721
610 H VAL 93 H VAL 93 -1.382 0.185 -3.614
611 HA VAL 93 HA VAL 93 -3.786 1.808 -4.222
612 HB VAL 93 HB VAL 93 -3.145 1.025 -1.376
613 HG11 VAL 93 1HG1 VAL 93 -5.589 1.483 -1.148
614 HG12 VAL 93 2HG1 VAL 93 -4.760 2.846 -1.904
615 HG13 VAL 93 3HG1 VAL 93 -5.698 1.716 -2.899
616 HG21 VAL 93 3HG2 VAL 93 -3.364 -1.173 -2.392
617 HG22 VAL 93 1HG2 VAL 93 -4.840 -0.792 -1.508
618 HG23 VAL 93 2HG2 VAL 93 -4.815 -0.665 -3.288
619 H GLU 94 H GLU 94 -3.526 3.949 -3.870
620 HA GLU 94 HA GLU 94 -0.772 4.870 -3.220
621 HB3 GLU 94 2HB GLU 94 -1.355 6.539 -5.055
622 HG3 GLU 94 2HG GLU 94 -1.219 5.033 -6.999
623 H ILE 95 H ILE 95 -0.774 6.329 -1.523
624 HA ILE 95 HA ILE 95 -3.316 7.707 -0.847
625 HB ILE 95 HB ILE 95 -1.316 6.984 1.312
626 HG13 ILE 95 2HG1 ILE 95 -2.259 4.948 1.869
627 HG21 ILE 95 1HG2 ILE 95 -4.263 7.568 1.250
628 HG22 ILE 95 2HG2 ILE 95 -3.369 7.049 2.702
629 HG23 ILE 95 3HG2 ILE 95 -2.967 8.579 1.904
630 HD11 ILE 95 3HD1 ILE 95 -4.632 5.137 1.294
631 HD12 ILE 95 1HD1 ILE 95 -4.234 5.174 -0.435
632 HD13 ILE 95 2HD1 ILE 95 -3.926 3.715 0.509
633 H GLU 96 H GLU 96 -2.671 9.526 -2.159
634 HA GLU 96 HA GLU 96 -0.333 11.082 -1.352
635 HB3 GLU 96 2HB GLU 96 -1.735 12.879 -2.707
636 HG3 GLU 96 2HG GLU 96 -0.410 10.488 -4.049
637 H ASP 97 H ASP 97 -0.587 11.185 0.900
638 HA ASP 97 HA ASP 97 -3.032 12.373 2.107
639 HB3 ASP 97 2HB ASP 97 -0.560 11.545 3.605
640 H ARG 98 H ARG 98 -2.378 13.858 4.035
641 HA ARG 98 HA ARG 98 -0.549 16.018 3.175
642 HB3 ARG 98 2HB ARG 98 -1.164 16.903 5.488
643 HG3 ARG 98 2HG ARG 98 -3.350 16.619 3.380
644 HD3 ARG 98 2HD ARG 98 -2.686 18.898 5.284
645 HE ARG 98 HE ARG 98 -4.216 18.808 2.892
646 HH11 ARG 98 1HH1 ARG 98 -4.749 19.771 6.277
647 HH12 ARG 98 2HH1 ARG 98 -5.784 21.100 5.855
648 HH21 ARG 98 1HH2 ARG 98 -5.864 20.248 2.424
649 HH22 ARG 98 2HH2 ARG 98 -6.659 21.126 3.705
650 H ASP 99 H ASP 99 -0.914 14.200 6.177
651 HA ASP 99 HA ASP 99 1.935 14.795 6.587
652 HB3 ASP 99 2HB ASP 99 0.024 13.531 8.592
653 H GLY 100 H GLY 100 1.838 12.948 4.706
654 HA2 GLY 100 1HA GLY 100 2.444 10.867 3.946
655 HA3 GLY 100 2HA GLY 100 3.479 10.843 5.376
656 H ARG 101 H ARG 101 -0.039 10.896 5.639
657 HA ARG 101 HA ARG 101 0.107 8.553 7.354
658 HB3 ARG 101 2HB ARG 101 -2.614 9.071 6.933
659 HG3 ARG 101 2HG ARG 101 -2.285 10.636 9.000
660 HD3 ARG 101 2HD ARG 101 -1.916 7.694 8.769
661 HE ARG 101 HE ARG 101 -0.772 7.366 10.617
662 HH11 ARG 101 1HH1 ARG 101 -1.907 10.745 10.983
663 HH12 ARG 101 2HH1 ARG 101 -1.053 10.965 12.445
664 HH21 ARG 101 1HH2 ARG 101 0.242 7.692 12.588
665 HH22 ARG 101 2HH2 ARG 101 0.224 9.250 13.341
666 H HIS 102 H HIS 102 -1.330 6.763 7.143
667 HA HIS 102 HA HIS 102 -1.229 5.622 4.393
668 HB3 HIS 102 2HB HIS 102 0.714 4.966 5.665
669 HD1 HIS 102 1HD HIS 102 -1.175 2.520 7.899
670 HD2 HIS 102 2HD HIS 102 0.802 6.240 8.105
671 HE1 HIS 102 1HE HIS 102 -1.017 3.104 10.351
672 H PHE 103 H PHE 103 -2.966 5.763 7.524
673 HA PHE 103 HA PHE 103 -4.976 5.081 8.147
674 HB3 PHE 103 2HB PHE 103 -6.710 5.097 6.238
675 HD1 PHE 103 2HD PHE 103 -7.497 6.389 8.147
676 HD2 PHE 103 1HD PHE 103 -4.354 7.881 5.557
677 HE1 PHE 103 2HE PHE 103 -7.772 8.649 9.113
678 HE2 PHE 103 1HE PHE 103 -4.622 10.121 6.611
679 HZ PHE 103 HZ PHE 103 -6.302 10.508 8.368
680 H LEU 104 H LEU 104 -3.077 2.909 6.873
681 HA LEU 104 HA LEU 104 -4.644 0.610 6.399
682 HB3 LEU 104 2HB LEU 104 -2.548 -0.666 6.994
683 HG LEU 104 HG LEU 104 -2.153 1.822 5.291
684 HD11 LEU 104 1HD1 LEU 104 -0.107 0.808 4.420
685 HD12 LEU 104 2HD1 LEU 104 -0.251 -0.513 5.578
686 HD13 LEU 104 3HD1 LEU 104 0.032 1.130 6.158
687 HD21 LEU 104 3HD2 LEU 104 -3.788 -0.039 4.567
688 HD22 LEU 104 1HD2 LEU 104 -2.361 -1.064 4.385
689 HD23 LEU 104 2HD2 LEU 104 -2.536 0.433 3.438
690 H THR 105 H THR 105 -5.512 -0.975 7.675
691 HA THR 105 HA THR 105 -6.058 -0.313 10.438
692 HB THR 105 HB THR 105 -7.688 -1.166 8.792
693 HG1 THR 105 1HG THR 105 -8.475 -1.550 10.728
694 HG21 THR 105 3HG2 THR 105 -6.109 -2.931 7.738
695 HG22 THR 105 1HG2 THR 105 -7.790 -3.401 8.023
696 HG23 THR 105 2HG2 THR 105 -6.525 -3.935 9.128
697 H GLU 106 H GLU 106 -3.230 -1.546 9.316
698 HA GLU 106 HA GLU 106 -3.039 -3.922 11.101
699 HB3 GLU 106 2HB GLU 106 -1.530 -4.585 8.958
700 HG3 GLU 106 2HG GLU 106 -4.518 -4.747 9.315
701 HA PRO 107 HA PRO 107 0.971 -2.514 12.458
702 HB3 PRO 107 2HB PRO 107 1.426 -4.488 13.502
703 HG3 PRO 107 2HG PRO 107 0.556 -6.536 12.659
704 HD3 PRO 107 2HD PRO 107 -1.281 -5.045 12.648
705 H VAL 108 H VAL 108 2.650 -1.400 11.540
706 HA VAL 108 HA VAL 108 3.657 -2.208 8.927
707 HB VAL 108 HB VAL 108 1.889 -0.787 8.430
708 HG11 VAL 108 1HG1 VAL 108 2.808 1.262 10.417
709 HG12 VAL 108 2HG1 VAL 108 1.535 1.486 9.187
710 HG13 VAL 108 3HG1 VAL 108 1.311 0.282 10.443
711 HG21 VAL 108 3HG2 VAL 108 2.955 1.043 7.256
712 HG22 VAL 108 1HG2 VAL 108 4.376 0.976 8.325
713 HG23 VAL 108 2HG2 VAL 108 4.037 -0.354 7.205
714 H GLU 109 H GLU 109 5.678 -1.854 8.554
715 HA GLU 109 HA GLU 109 7.455 -1.278 10.823
716 HB3 GLU 109 2HB GLU 109 8.918 -2.330 8.642
717 HG3 GLU 109 2HG GLU 109 8.115 -4.601 9.826
718 H SER 110 H SER 110 9.736 -0.596 9.873
719 HA SER 110 HA SER 110 9.406 1.929 8.385
720 HB3 SER 110 2HB SER 110 10.602 1.819 11.149
721 HG SER 110 HG SER 110 11.128 3.575 9.896
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.684 -16.565 14.828
2 HA2 GLY 1 1HA GLY 1 -10.946 -15.874 15.049
3 HA3 GLY 1 2HA GLY 1 -10.014 -14.442 14.534
4 H MET 2 H MET 2 -10.994 -13.361 12.869
5 HA MET 2 HA MET 2 -12.836 -14.676 11.014
6 HB3 MET 2 2HB MET 2 -12.872 -12.430 9.955
7 HG3 MET 2 2HG MET 2 -13.772 -11.099 11.780
8 HE1 MET 2 3HE MET 2 -15.689 -11.558 13.841
9 HE2 MET 2 1HE MET 2 -16.316 -13.193 14.167
10 HE3 MET 2 2HE MET 2 -14.630 -12.805 14.543
11 H LEU 3 H LEU 3 -12.246 -13.894 8.516
12 HA LEU 3 HA LEU 3 -9.389 -14.319 7.951
13 HB3 LEU 3 2HB LEU 3 -11.292 -15.828 6.201
14 HG LEU 3 HG LEU 3 -9.583 -17.391 5.924
15 HD11 LEU 3 1HD1 LEU 3 -8.969 -15.250 4.791
16 HD12 LEU 3 2HD1 LEU 3 -7.570 -16.230 5.245
17 HD13 LEU 3 3HD1 LEU 3 -7.993 -14.802 6.202
18 HD21 LEU 3 3HD2 LEU 3 -8.201 -16.216 8.359
19 HD22 LEU 3 1HD2 LEU 3 -7.585 -17.551 7.354
20 HD23 LEU 3 2HD2 LEU 3 -9.078 -17.750 8.287
21 H LEU 4 H LEU 4 -9.406 -12.110 7.510
22 HA LEU 4 HA LEU 4 -11.183 -10.785 5.630
23 HB3 LEU 4 2HB LEU 4 -9.039 -9.201 5.520
24 HG LEU 4 HG LEU 4 -9.450 -8.243 7.799
25 HD11 LEU 4 1HD1 LEU 4 -11.873 -8.625 6.016
26 HD12 LEU 4 2HD1 LEU 4 -10.553 -7.452 5.763
27 HD13 LEU 4 3HD1 LEU 4 -11.610 -7.300 7.169
28 HD21 LEU 4 3HD2 LEU 4 -11.738 -10.244 7.986
29 HD22 LEU 4 1HD2 LEU 4 -11.427 -8.875 9.067
30 HD23 LEU 4 2HD2 LEU 4 -10.287 -10.226 9.009
31 H SER 5 H SER 5 -10.392 -9.871 3.432
32 HA SER 5 HA SER 5 -8.387 -11.628 2.129
33 HB3 SER 5 2HB SER 5 -9.802 -11.704 0.147
34 HG SER 5 HG SER 5 -11.025 -12.562 2.552
35 H THR 6 H THR 6 -7.600 -10.611 0.024
36 HA THR 6 HA THR 6 -6.393 -8.277 0.671
37 HB THR 6 HB THR 6 -6.907 -9.262 -2.155
38 HG1 THR 6 1HG THR 6 -4.596 -9.950 -1.590
39 HG21 THR 6 3HG2 THR 6 -6.117 -6.906 -2.081
40 HG22 THR 6 1HG2 THR 6 -4.859 -8.001 -2.665
41 HG23 THR 6 2HG2 THR 6 -4.795 -7.403 -0.998
42 H ASP 7 H ASP 7 -9.305 -8.519 -1.498
43 HA ASP 7 HA ASP 7 -9.218 -5.731 -2.023
44 HB3 ASP 7 2HB ASP 7 -10.292 -7.460 -3.462
45 H ILE 8 H ILE 8 -10.614 -7.552 0.632
46 HA ILE 8 HA ILE 8 -12.628 -5.769 1.467
47 HB ILE 8 HB ILE 8 -10.943 -7.563 3.223
48 HG13 ILE 8 2HG1 ILE 8 -12.651 -9.205 2.964
49 HG21 ILE 8 1HG2 ILE 8 -12.119 -6.070 4.614
50 HG22 ILE 8 2HG2 ILE 8 -13.559 -6.067 3.562
51 HG23 ILE 8 3HG2 ILE 8 -13.182 -7.496 4.544
52 HD11 ILE 8 3HD1 ILE 8 -14.254 -9.248 1.177
53 HD12 ILE 8 1HD1 ILE 8 -14.610 -7.877 2.248
54 HD13 ILE 8 2HD1 ILE 8 -13.814 -7.605 0.673
55 H TRP 9 H TRP 9 -9.164 -6.000 2.379
56 HA TRP 9 HA TRP 9 -9.221 -3.819 4.243
57 HB3 TRP 9 2HB TRP 9 -6.776 -3.784 3.889
58 HD1 TRP 9 HD TRP 9 -8.441 -5.165 6.177
59 HE1 TRP 9 1HE TRP 9 -7.476 -7.292 7.286
60 HE3 TRP 9 3HE TRP 9 -5.786 -6.970 2.255
61 HZ2 TRP 9 2HZ TRP 9 -6.289 -9.770 6.335
62 HZ3 TRP 9 3HZ TRP 9 -4.950 -9.341 2.267
63 HH2 TRP 9 HH TRP 9 -5.302 -10.756 4.303
64 H VAL 10 H VAL 10 -8.324 -3.998 0.747
65 HA VAL 10 HA VAL 10 -7.679 -1.274 0.344
66 HB VAL 10 HB VAL 10 -9.219 -3.095 -1.585
67 HG11 VAL 10 1HG1 VAL 10 -8.207 -1.685 -3.359
68 HG12 VAL 10 2HG1 VAL 10 -9.162 -0.657 -2.292
69 HG13 VAL 10 3HG1 VAL 10 -7.388 -0.692 -2.139
70 HG21 VAL 10 3HG2 VAL 10 -7.267 -4.234 -1.003
71 HG22 VAL 10 1HG2 VAL 10 -6.992 -3.502 -2.571
72 HG23 VAL 10 2HG2 VAL 10 -6.307 -2.739 -1.097
73 H ALA 11 H ALA 11 -10.866 -2.915 0.243
74 HA ALA 11 HA ALA 11 -12.270 -0.665 -0.559
75 HB1 ALA 11 1HB ALA 11 -13.113 -3.190 1.007
76 HB2 ALA 11 2HB ALA 11 -14.264 -2.072 0.288
77 HB3 ALA 11 3HB ALA 11 -13.140 -2.975 -0.755
78 H ALA 12 H ALA 12 -11.419 -1.710 2.719
79 HA ALA 12 HA ALA 12 -13.058 0.352 4.005
80 HB1 ALA 12 1HB ALA 12 -12.455 -1.710 5.228
81 HB2 ALA 12 2HB ALA 12 -10.728 -1.353 5.049
82 HB3 ALA 12 3HB ALA 12 -11.759 -0.305 6.042
83 H LEU 13 H LEU 13 -9.570 -0.127 3.509
84 HA LEU 13 HA LEU 13 -8.473 2.178 4.503
85 HB3 LEU 13 2HB LEU 13 -7.690 0.385 2.174
86 HG LEU 13 HG LEU 13 -6.686 2.704 1.769
87 HD11 LEU 13 1HD1 LEU 13 -6.504 3.363 4.173
88 HD12 LEU 13 2HD1 LEU 13 -4.988 3.504 3.289
89 HD13 LEU 13 3HD1 LEU 13 -5.237 2.131 4.391
90 HD21 LEU 13 3HD2 LEU 13 -4.837 0.418 2.493
91 HD22 LEU 13 1HD2 LEU 13 -4.373 1.864 1.560
92 HD23 LEU 13 2HD2 LEU 13 -5.615 0.765 0.926
93 H ILE 14 H ILE 14 -9.493 1.751 1.068
94 HA ILE 14 HA ILE 14 -8.798 4.368 0.265
95 HB ILE 14 HB ILE 14 -10.732 2.263 -0.755
96 HG13 ILE 14 2HG1 ILE 14 -9.100 1.898 -2.475
97 HG21 ILE 14 1HG2 ILE 14 -11.768 4.196 -1.623
98 HG22 ILE 14 2HG2 ILE 14 -10.242 4.975 -2.027
99 HG23 ILE 14 3HG2 ILE 14 -10.783 3.561 -2.953
100 HD11 ILE 14 3HD1 ILE 14 -8.180 4.394 -2.435
101 HD12 ILE 14 1HD1 ILE 14 -7.190 3.840 -1.089
102 HD13 ILE 14 2HD1 ILE 14 -7.001 3.064 -2.657
103 H ARG 15 H ARG 15 -11.945 3.106 1.378
104 HA ARG 15 HA ARG 15 -13.269 5.613 1.087
105 HB3 ARG 15 2HB ARG 15 -14.885 4.725 2.810
106 HG3 ARG 15 2HG ARG 15 -14.255 2.695 0.639
107 HD3 ARG 15 2HD ARG 15 -16.129 2.105 2.170
108 HE ARG 15 HE ARG 15 -16.807 4.817 2.042
109 HH11 ARG 15 1HH1 ARG 15 -18.616 1.797 1.430
110 HH12 ARG 15 2HH1 ARG 15 -20.153 2.615 1.669
111 HH21 ARG 15 1HH2 ARG 15 -18.802 5.697 2.582
112 HH22 ARG 15 2HH2 ARG 15 -20.262 4.740 2.332
113 H ARG 16 H ARG 16 -11.497 4.223 3.840
114 HA ARG 16 HA ARG 16 -12.057 6.306 5.732
115 HB3 ARG 16 2HB ARG 16 -9.922 5.411 6.829
116 HG3 ARG 16 2HG ARG 16 -12.197 3.566 6.050
117 HD3 ARG 16 2HD ARG 16 -9.817 2.902 7.792
118 HE ARG 16 HE ARG 16 -12.339 1.333 7.411
119 HH11 ARG 16 1HH1 ARG 16 -9.822 2.495 9.704
120 HH12 ARG 16 2HH1 ARG 16 -10.543 1.668 11.044
121 HH21 ARG 16 1HH2 ARG 16 -13.079 0.103 9.101
122 HH22 ARG 16 2HH2 ARG 16 -12.452 0.268 10.695
123 H ALA 17 H ALA 17 -9.423 5.934 3.299
124 HA ALA 17 HA ALA 17 -7.949 8.236 4.079
125 HB1 ALA 17 1HB ALA 17 -8.188 6.834 1.386
126 HB2 ALA 17 2HB ALA 17 -6.922 7.988 1.852
127 HB3 ALA 17 3HB ALA 17 -7.024 6.417 2.678
128 H GLU 18 H GLU 18 -10.290 7.766 1.374
129 HA GLU 18 HA GLU 18 -10.257 10.505 0.630
130 HB3 GLU 18 2HB GLU 18 -12.414 9.859 -0.556
131 HG3 GLU 18 2HG GLU 18 -10.394 7.764 -1.326
132 H LEU 19 H LEU 19 -12.128 8.850 3.132
133 HA LEU 19 HA LEU 19 -13.957 10.941 3.789
134 HB3 LEU 19 2HB LEU 19 -13.173 9.747 6.235
135 HG LEU 19 HG LEU 19 -15.218 9.007 4.172
136 HD11 LEU 19 1HD1 LEU 19 -14.816 7.796 6.953
137 HD12 LEU 19 2HD1 LEU 19 -14.706 6.948 5.390
138 HD13 LEU 19 3HD1 LEU 19 -16.265 7.568 5.947
139 HD21 LEU 19 3HD2 LEU 19 -15.378 10.305 6.945
140 HD22 LEU 19 1HD2 LEU 19 -16.762 9.976 5.890
141 HD23 LEU 19 2HD2 LEU 19 -15.543 11.154 5.394
142 H GLY 20 H GLY 20 -10.585 10.605 4.339
143 HA2 GLY 20 1HA GLY 20 -9.965 12.614 6.299
144 HA3 GLY 20 2HA GLY 20 -8.978 12.145 4.920
145 H GLY 21 H GLY 21 -10.733 12.688 2.827
146 HA2 GLY 21 1HA GLY 21 -11.376 14.528 1.517
147 HA3 GLY 21 2HA GLY 21 -10.744 15.653 2.725
148 H ALA 22 H ALA 22 -8.912 12.746 1.860
149 HA ALA 22 HA ALA 22 -6.915 14.329 0.324
150 HB1 ALA 22 1HB ALA 22 -6.018 13.259 2.361
151 HB2 ALA 22 2HB ALA 22 -6.698 11.695 1.846
152 HB3 ALA 22 3HB ALA 22 -5.388 12.448 0.914
153 H PHE 23 H PHE 23 -5.791 12.649 -1.302
154 HA PHE 23 HA PHE 23 -7.960 11.576 -3.019
155 HB3 PHE 23 2HB PHE 23 -5.029 12.185 -3.602
156 HD1 PHE 23 2HD PHE 23 -7.984 13.021 -5.692
157 HD2 PHE 23 1HD PHE 23 -4.602 10.381 -5.141
158 HE1 PHE 23 2HE PHE 23 -8.144 12.298 -8.062
159 HE2 PHE 23 1HE PHE 23 -4.767 9.693 -7.509
160 HZ PHE 23 HZ PHE 23 -6.521 10.657 -8.980
161 H ALA 24 H ALA 24 -8.216 9.329 -2.946
162 HA ALA 24 HA ALA 24 -5.784 7.694 -2.843
163 HB1 ALA 24 1HB ALA 24 -8.104 7.334 -0.897
164 HB2 ALA 24 2HB ALA 24 -6.755 6.204 -1.117
165 HB3 ALA 24 3HB ALA 24 -6.445 7.832 -0.478
166 H THR 25 H THR 25 -6.066 5.687 -3.924
167 HA THR 25 HA THR 25 -8.604 4.745 -4.703
168 HB THR 25 HB THR 25 -8.408 6.783 -6.212
169 HG1 THR 25 1HG THR 25 -9.278 5.652 -7.880
170 HG21 THR 25 3HG2 THR 25 -7.045 6.591 -8.202
171 HG22 THR 25 1HG2 THR 25 -6.424 5.005 -7.684
172 HG23 THR 25 2HG2 THR 25 -6.002 6.498 -6.775
173 H VAL 26 H VAL 26 -8.111 3.169 -6.723
174 HA VAL 26 HA VAL 26 -5.652 1.642 -6.062
175 HB VAL 26 HB VAL 26 -7.903 0.667 -5.300
176 HG11 VAL 26 1HG1 VAL 26 -9.262 -0.528 -6.877
177 HG12 VAL 26 2HG1 VAL 26 -9.172 1.159 -7.444
178 HG13 VAL 26 3HG1 VAL 26 -8.197 -0.098 -8.220
179 HG21 VAL 26 3HG2 VAL 26 -5.982 -0.667 -5.267
180 HG22 VAL 26 1HG2 VAL 26 -7.245 -1.625 -6.066
181 HG23 VAL 26 2HG2 VAL 26 -5.959 -0.858 -7.020
182 H ALA 27 H ALA 27 -4.445 0.997 -7.844
183 HA ALA 27 HA ALA 27 -5.232 2.172 -10.476
184 HB1 ALA 27 1HB ALA 27 -3.203 3.049 -9.110
185 HB2 ALA 27 2HB ALA 27 -2.429 1.522 -9.550
186 HB3 ALA 27 3HB ALA 27 -2.946 2.629 -10.825
187 H ARG 28 H ARG 28 -5.215 -0.720 -8.978
188 HA ARG 28 HA ARG 28 -4.708 -2.327 -11.394
189 HB3 ARG 28 2HB ARG 28 -3.217 -3.088 -8.897
190 HG3 ARG 28 2HG ARG 28 -3.342 -4.546 -11.177
191 HD3 ARG 28 2HD ARG 28 -1.020 -4.145 -12.239
192 HE ARG 28 HE ARG 28 -2.751 -1.863 -12.953
193 HH11 ARG 28 1HH1 ARG 28 -1.802 -5.296 -13.715
194 HH12 ARG 28 2HH1 ARG 28 -2.612 -5.220 -15.236
195 HH21 ARG 28 1HH2 ARG 28 -3.561 -1.858 -15.087
196 HH22 ARG 28 2HH2 ARG 28 -3.168 -3.177 -16.130
197 H LYS 29 H LYS 29 -5.532 -4.629 -11.003
198 HA LYS 29 HA LYS 29 -7.180 -4.893 -8.561
199 HB3 LYS 29 2HB LYS 29 -8.196 -5.330 -11.409
200 HG3 LYS 29 2HG LYS 29 -9.199 -6.752 -9.505
201 HD3 LYS 29 2HD LYS 29 -9.304 -4.878 -7.826
202 HE3 LYS 29 2HE LYS 29 -10.220 -3.026 -9.082
203 HZ1 LYS 29 3HZ LYS 29 -12.433 -4.866 -9.675
204 HZ2 LYS 29 1HZ LYS 29 -11.611 -3.848 -10.696
205 HZ3 LYS 29 2HZ LYS 29 -12.689 -3.239 -9.622
206 H GLY 30 H GLY 30 -5.431 -6.258 -7.925
207 HA2 GLY 30 1HA GLY 30 -4.734 -8.606 -9.425
208 HA3 GLY 30 2HA GLY 30 -4.325 -8.233 -7.741
209 H ASP 31 H ASP 31 -4.856 -10.652 -7.562
210 HA ASP 31 HA ASP 31 -7.555 -11.575 -7.790
211 HB3 ASP 31 2HB ASP 31 -5.806 -12.659 -5.651
212 H ALA 32 H ALA 32 -9.349 -11.158 -6.389
213 HA ALA 32 HA ALA 32 -8.933 -9.319 -4.184
214 HB1 ALA 32 1HB ALA 32 -11.411 -10.937 -4.877
215 HB2 ALA 32 2HB ALA 32 -11.317 -9.532 -3.811
216 HB3 ALA 32 3HB ALA 32 -11.002 -9.323 -5.537
217 H ARG 33 H ARG 33 -8.555 -12.714 -4.353
218 HA ARG 33 HA ARG 33 -8.916 -12.997 -1.396
219 HB3 ARG 33 2HB ARG 33 -8.888 -15.445 -1.924
220 HG3 ARG 33 2HG ARG 33 -11.026 -13.869 -1.789
221 HD3 ARG 33 2HD ARG 33 -11.066 -13.494 -4.336
222 HE ARG 33 HE ARG 33 -10.959 -16.245 -4.540
223 HH11 ARG 33 1HH1 ARG 33 -13.417 -13.811 -5.484
224 HH12 ARG 33 2HH1 ARG 33 -14.094 -14.821 -6.715
225 HH21 ARG 33 1HH2 ARG 33 -11.770 -17.455 -6.401
226 HH22 ARG 33 2HH2 ARG 33 -12.941 -16.711 -7.426
227 H ALA 34 H ALA 34 -6.748 -13.662 -4.159
228 HA ALA 34 HA ALA 34 -4.587 -14.319 -2.231
229 HB1 ALA 34 1HB ALA 34 -5.634 -16.279 -3.356
230 HB2 ALA 34 2HB ALA 34 -5.133 -15.597 -4.927
231 HB3 ALA 34 3HB ALA 34 -3.917 -16.098 -3.738
232 H GLY 35 H GLY 35 -5.091 -11.675 -3.640
233 HA2 GLY 35 1HA GLY 35 -2.814 -11.560 -5.514
234 HA3 GLY 35 2HA GLY 35 -4.082 -10.363 -5.314
235 H ALA 36 H ALA 36 -0.997 -10.705 -4.857
236 HA ALA 36 HA ALA 36 -0.520 -9.672 -2.148
237 HB1 ALA 36 1HB ALA 36 1.259 -10.865 -3.317
238 HB2 ALA 36 2HB ALA 36 1.200 -9.722 -4.676
239 HB3 ALA 36 3HB ALA 36 1.768 -9.183 -3.084
240 H VAL 37 H VAL 37 0.322 -7.312 -1.850
241 HA VAL 37 HA VAL 37 -0.818 -5.422 -3.773
242 HB VAL 37 HB VAL 37 -2.372 -5.307 -2.201
243 HG11 VAL 37 1HG1 VAL 37 -1.171 -6.879 -0.199
244 HG12 VAL 37 2HG1 VAL 37 -2.822 -6.171 -0.260
245 HG13 VAL 37 3HG1 VAL 37 -2.335 -7.265 -1.513
246 HG21 VAL 37 3HG2 VAL 37 -2.314 -3.643 -0.592
247 HG22 VAL 37 1HG2 VAL 37 -0.548 -3.572 -0.779
248 HG23 VAL 37 2HG2 VAL 37 -1.620 -3.211 -2.134
249 H LEU 38 H LEU 38 0.123 -3.423 -3.892
250 HA LEU 38 HA LEU 38 2.302 -2.744 -2.002
251 HB3 LEU 38 2HB LEU 38 2.930 -0.974 -3.677
252 HG LEU 38 HG LEU 38 3.100 -3.765 -4.886
253 HD11 LEU 38 1HD1 LEU 38 3.627 -1.949 -6.479
254 HD12 LEU 38 2HD1 LEU 38 5.089 -2.838 -6.022
255 HD13 LEU 38 3HD1 LEU 38 4.768 -1.241 -5.315
256 HD21 LEU 38 3HD2 LEU 38 5.202 -2.374 -3.186
257 HD22 LEU 38 1HD2 LEU 38 5.191 -4.029 -3.860
258 HD23 LEU 38 2HD2 LEU 38 4.104 -3.600 -2.571
259 H VAL 39 H VAL 39 1.933 -0.977 -0.841
260 HA VAL 39 HA VAL 39 -0.378 0.767 -1.555
261 HB VAL 39 HB VAL 39 0.464 0.184 1.314
262 HG11 VAL 39 1HG1 VAL 39 -0.435 2.460 0.956
263 HG12 VAL 39 2HG1 VAL 39 -1.861 1.788 0.141
264 HG13 VAL 39 3HG1 VAL 39 -1.587 1.484 1.868
265 HG21 VAL 39 3HG2 VAL 39 -0.660 -1.789 0.565
266 HG22 VAL 39 1HG2 VAL 39 -1.803 -0.882 1.540
267 HG23 VAL 39 2HG2 VAL 39 -1.944 -0.850 -0.233
268 H LYS 40 H LYS 40 0.459 2.718 -2.136
269 HA LYS 40 HA LYS 40 3.133 3.467 -1.001
270 HB3 LYS 40 2HB LYS 40 1.823 4.074 -3.676
271 HG3 LYS 40 2HG LYS 40 4.476 5.134 -2.571
272 HD3 LYS 40 2HD LYS 40 3.152 5.132 -5.272
273 HE3 LYS 40 2HE LYS 40 5.090 7.333 -4.499
274 HZ1 LYS 40 3HZ LYS 40 3.837 8.442 -6.302
275 HZ2 LYS 40 1HZ LYS 40 2.989 7.055 -6.573
276 HZ3 LYS 40 2HZ LYS 40 4.591 7.072 -6.853
277 H ALA 41 H ALA 41 3.171 5.430 0.074
278 HA ALA 41 HA ALA 41 0.670 6.999 0.330
279 HB1 ALA 41 1HB ALA 41 2.377 5.950 2.629
280 HB2 ALA 41 2HB ALA 41 1.048 7.116 2.774
281 HB3 ALA 41 3HB ALA 41 0.706 5.450 2.296
282 H VAL 42 H VAL 42 1.310 8.969 -0.501
283 HA VAL 42 HA VAL 42 4.143 9.674 -0.551
284 HB VAL 42 HB VAL 42 2.191 10.238 -2.241
285 HG11 VAL 42 1HG1 VAL 42 1.114 12.328 -2.069
286 HG12 VAL 42 2HG1 VAL 42 0.892 11.535 -0.486
287 HG13 VAL 42 3HG1 VAL 42 2.077 12.818 -0.669
288 HG21 VAL 42 3HG2 VAL 42 3.452 12.135 -3.143
289 HG22 VAL 42 1HG2 VAL 42 4.356 12.300 -1.624
290 HG23 VAL 42 2HG2 VAL 42 4.538 10.845 -2.630
291 H ASP 43 H ASP 43 5.021 11.743 0.447
292 HA ASP 43 HA ASP 43 3.242 12.989 2.448
293 HB3 ASP 43 2HB ASP 43 6.217 12.651 2.828
294 H ARG 44 H ARG 44 2.661 14.490 0.866
295 HA ARG 44 HA ARG 44 4.554 16.155 -0.556
296 HB3 ARG 44 2HB ARG 44 2.526 17.793 -0.515
297 HG3 ARG 44 2HG ARG 44 1.133 16.237 -2.000
298 HD3 ARG 44 2HD ARG 44 2.856 15.986 -3.745
299 HE ARG 44 HE ARG 44 1.991 18.425 -2.604
300 HH11 ARG 44 1HH1 ARG 44 4.520 17.302 -4.867
301 HH12 ARG 44 2HH1 ARG 44 4.726 18.877 -5.567
302 HH21 ARG 44 1HH2 ARG 44 2.126 20.367 -3.671
303 HH22 ARG 44 2HH2 ARG 44 3.362 20.676 -4.851
304 H ARG 45 H ARG 45 3.462 16.153 2.809
305 HA ARG 45 HA ARG 45 3.905 18.934 3.325
306 HB3 ARG 45 2HB ARG 45 4.218 17.068 5.619
307 HG3 ARG 45 2HG ARG 45 2.148 19.127 4.783
308 HD3 ARG 45 2HD ARG 45 2.592 17.958 7.547
309 HE ARG 45 HE ARG 45 1.456 20.319 6.757
310 HH11 ARG 45 1HH1 ARG 45 0.135 17.466 8.427
311 HH12 ARG 45 2HH1 ARG 45 -0.929 18.414 9.394
312 HH21 ARG 45 1HH2 ARG 45 0.010 21.517 8.079
313 HH22 ARG 45 2HH2 ARG 45 -0.988 20.699 9.227
314 H GLU 46 H GLU 46 5.934 16.066 3.497
315 HA GLU 46 HA GLU 46 8.257 17.875 4.101
316 HB3 GLU 46 2HB GLU 46 9.311 16.087 5.267
317 HG3 GLU 46 2HG GLU 46 6.432 16.041 6.174
318 H GLY 47 H GLY 47 7.065 16.165 1.480
319 HA2 GLY 47 1HA GLY 47 8.041 15.808 -0.583
320 HA3 GLY 47 2HA GLY 47 9.564 16.499 0.009
321 H THR 48 H THR 48 7.961 13.919 1.796
322 HA THR 48 HA THR 48 10.059 11.996 0.954
323 HB THR 48 HB THR 48 9.596 10.859 3.112
324 HG1 THR 48 1HG THR 48 8.790 12.611 4.714
325 HG21 THR 48 3HG2 THR 48 11.478 12.581 2.747
326 HG22 THR 48 1HG2 THR 48 10.997 12.300 4.426
327 HG23 THR 48 2HG2 THR 48 10.426 13.753 3.582
328 H ALA 49 H ALA 49 9.100 9.667 0.969
329 HA ALA 49 HA ALA 49 6.244 9.520 0.640
330 HB1 ALA 49 1HB ALA 49 6.492 8.333 -1.626
331 HB2 ALA 49 2HB ALA 49 6.691 10.090 -1.670
332 HB3 ALA 49 3HB ALA 49 8.112 9.053 -1.737
333 H ARG 50 H ARG 50 5.610 7.277 0.691
334 HA ARG 50 HA ARG 50 7.718 5.431 1.717
335 HB3 ARG 50 2HB ARG 50 5.984 4.564 3.326
336 HG3 ARG 50 2HG ARG 50 5.890 6.895 4.677
337 HD3 ARG 50 2HD ARG 50 8.249 5.084 4.204
338 HE ARG 50 HE ARG 50 9.431 7.027 4.596
339 HH11 ARG 50 1HH1 ARG 50 7.174 6.473 7.316
340 HH12 ARG 50 2HH1 ARG 50 7.810 7.813 8.219
341 HH21 ARG 50 1HH2 ARG 50 10.153 8.849 5.851
342 HH22 ARG 50 2HH2 ARG 50 9.460 9.083 7.444
343 H LEU 51 H LEU 51 7.382 3.384 1.208
344 HA LEU 51 HA LEU 51 5.133 2.707 -0.610
345 HB3 LEU 51 2HB LEU 51 7.770 1.675 -1.552
346 HG LEU 51 HG LEU 51 5.338 2.910 -2.933
347 HD11 LEU 51 1HD1 LEU 51 6.386 2.012 -5.024
348 HD12 LEU 51 2HD1 LEU 51 7.796 1.556 -4.057
349 HD13 LEU 51 3HD1 LEU 51 7.336 3.273 -4.239
350 HD21 LEU 51 3HD2 LEU 51 4.944 0.530 -2.061
351 HD22 LEU 51 1HD2 LEU 51 6.312 0.033 -3.131
352 HD23 LEU 51 2HD2 LEU 51 4.808 0.742 -3.803
353 H PHE 52 H PHE 52 4.213 1.027 0.175
354 HA PHE 52 HA PHE 52 5.748 -0.772 1.971
355 HB3 PHE 52 2HB PHE 52 3.635 -1.286 3.004
356 HD1 PHE 52 2HD PHE 52 5.551 0.038 4.316
357 HD2 PHE 52 1HD PHE 52 2.153 1.888 2.391
358 HE1 PHE 52 2HE PHE 52 5.869 2.079 5.672
359 HE2 PHE 52 1HE PHE 52 2.483 3.910 3.767
360 HZ PHE 52 HZ PHE 52 4.344 4.015 5.424
361 H SER 53 H SER 53 5.275 -2.994 1.904
362 HA SER 53 HA SER 53 3.987 -4.124 -0.516
363 HB3 SER 53 2HB SER 53 6.183 -5.752 0.092
364 HG SER 53 HG SER 53 5.531 -5.093 -1.938
365 H GLU 54 H GLU 54 3.201 -6.217 -0.143
366 HA GLU 54 HA GLU 54 2.466 -6.652 2.651
367 HB3 GLU 54 2HB GLU 54 0.968 -6.943 0.576
368 HG3 GLU 54 2HG GLU 54 2.762 -9.035 -0.108
369 H ALA 55 H ALA 55 2.725 -8.905 3.547
370 HA ALA 55 HA ALA 55 4.781 -10.637 2.722
371 HB1 ALA 55 1HB ALA 55 5.324 -8.723 5.053
372 HB2 ALA 55 2HB ALA 55 6.244 -10.218 4.754
373 HB3 ALA 55 3HB ALA 55 6.317 -8.885 3.598
374 H THR 56 H THR 56 4.808 -12.475 4.250
375 HA THR 56 HA THR 56 2.905 -12.329 6.478
376 HB THR 56 HB THR 56 2.463 -14.847 5.902
377 HG1 THR 56 1HG THR 56 2.100 -15.087 3.670
378 HG21 THR 56 3HG2 THR 56 0.375 -14.188 4.804
379 HG22 THR 56 1HG2 THR 56 1.053 -12.574 4.449
380 HG23 THR 56 2HG2 THR 56 0.780 -13.114 6.127
381 H ARG 57 H ARG 57 3.692 -13.085 8.276
382 HA ARG 57 HA ARG 57 6.502 -13.881 8.328
383 HB3 ARG 57 2HB ARG 57 6.121 -14.007 10.812
384 HG3 ARG 57 2HG ARG 57 4.965 -11.513 9.523
385 HD3 ARG 57 2HD ARG 57 6.557 -10.627 11.479
386 HE ARG 57 HE ARG 57 3.781 -10.714 11.133
387 HH11 ARG 57 1HH1 ARG 57 6.183 -10.381 13.744
388 HH12 ARG 57 2HH1 ARG 57 4.976 -10.095 14.962
389 HH21 ARG 57 1HH2 ARG 57 2.349 -9.577 12.607
390 HH22 ARG 57 2HH2 ARG 57 2.854 -9.233 14.205
391 H GLY 58 H GLY 58 7.077 -15.813 9.795
392 HA2 GLY 58 1HA GLY 58 6.380 -18.245 8.711
393 HA3 GLY 58 2HA GLY 58 7.081 -17.999 10.312
394 H ASP 59 H ASP 59 4.092 -16.485 10.503
395 HA ASP 59 HA ASP 59 2.667 -19.043 10.940
396 HB3 ASP 59 2HB ASP 59 2.037 -16.735 12.715
397 H GLY 60 H GLY 60 2.810 -17.066 8.635
398 HA2 GLY 60 1HA GLY 60 1.378 -16.366 7.024
399 HA3 GLY 60 2HA GLY 60 0.015 -17.050 7.902
400 H GLU 61 H GLU 61 1.967 -14.943 9.770
401 HA GLU 61 HA GLU 61 -0.328 -13.246 10.212
402 HB3 GLU 61 2HB GLU 61 2.402 -12.980 11.478
403 HG3 GLU 61 2HG GLU 61 0.498 -11.339 11.950
404 H ARG 62 H ARG 62 -0.732 -11.799 8.585
405 HA ARG 62 HA ARG 62 1.348 -10.897 6.857
406 HB3 ARG 62 2HB ARG 62 -1.576 -10.188 7.059
407 HG3 ARG 62 2HG ARG 62 0.416 -9.352 4.930
408 HD3 ARG 62 2HD ARG 62 -1.735 -8.527 3.772
409 HE ARG 62 HE ARG 62 -0.218 -10.333 2.860
410 HH11 ARG 62 1HH1 ARG 62 -3.451 -11.165 3.921
411 HH12 ARG 62 2HH1 ARG 62 -3.718 -12.414 2.770
412 HH21 ARG 62 1HH2 ARG 62 -0.548 -11.795 1.185
413 HH22 ARG 62 2HH2 ARG 62 -1.900 -12.903 1.228
414 H PHE 63 H PHE 63 1.930 -8.700 6.300
415 HA PHE 63 HA PHE 63 1.412 -6.543 8.174
416 HB3 PHE 63 2HB PHE 63 3.129 -7.705 9.416
417 HD1 PHE 63 1HD PHE 63 3.684 -9.926 8.065
418 HD2 PHE 63 2HD PHE 63 5.861 -6.231 7.538
419 HE1 PHE 63 1HE PHE 63 5.719 -11.173 7.396
420 HE2 PHE 63 2HE PHE 63 7.917 -7.531 7.103
421 HZ PHE 63 HZ PHE 63 7.838 -9.986 7.032
422 H TRP 64 H TRP 64 2.900 -4.598 7.484
423 HA TRP 64 HA TRP 64 3.173 -4.533 4.517
424 HB3 TRP 64 2HB TRP 64 2.893 -2.069 4.839
425 HD1 TRP 64 HD TRP 64 0.089 -2.676 7.063
426 HE1 TRP 64 1HE TRP 64 -2.064 -3.142 5.746
427 HE3 TRP 64 3HE TRP 64 2.176 -3.577 2.519
428 HZ2 TRP 64 2HZ TRP 64 -2.686 -4.351 3.124
429 HZ3 TRP 64 3HZ TRP 64 0.860 -4.516 0.682
430 HH2 TRP 64 HH TRP 64 -1.610 -4.893 0.925
431 H MET 65 H MET 65 5.320 -5.009 4.212
432 HA MET 65 HA MET 65 7.335 -3.743 6.010
433 HB3 MET 65 2HB MET 65 7.513 -6.145 5.500
434 HG3 MET 65 2HG MET 65 7.388 -5.235 2.697
435 HE1 MET 65 3HE MET 65 9.136 -8.377 4.315
436 HE2 MET 65 1HE MET 65 10.832 -8.135 3.826
437 HE3 MET 65 2HE MET 65 10.088 -7.026 4.978
438 H GLN 66 H GLN 66 9.438 -3.024 4.800
439 HA GLN 66 HA GLN 66 8.683 -1.311 2.499
440 HB3 GLN 66 2HB GLN 66 10.251 0.357 3.404
441 HG3 GLN 66 2HG GLN 66 7.983 -0.327 5.334
442 HE21 GLN 66 1HE2 GLN 66 10.602 1.751 4.580
443 HE22 GLN 66 2HE2 GLN 66 10.336 2.873 5.910
444 HA PRO 67 HA PRO 67 12.253 -4.037 1.313
445 HB3 PRO 67 2HB PRO 67 10.779 -5.465 0.217
446 HG3 PRO 67 2HG PRO 67 8.803 -4.607 -0.827
447 HD3 PRO 67 2HD PRO 67 8.723 -4.015 1.460
448 H VAL 68 H VAL 68 10.895 -1.093 0.002
449 HA VAL 68 HA VAL 68 13.573 -0.413 -1.090
450 HB VAL 68 HB VAL 68 12.135 -0.373 -2.920
451 HG11 VAL 68 1HG1 VAL 68 10.137 1.269 -1.320
452 HG12 VAL 68 2HG1 VAL 68 10.086 1.042 -3.074
453 HG13 VAL 68 3HG1 VAL 68 9.912 -0.352 -2.010
454 HG21 VAL 68 3HG2 VAL 68 12.314 1.968 -3.604
455 HG22 VAL 68 1HG2 VAL 68 12.550 2.465 -1.918
456 HG23 VAL 68 2HG2 VAL 68 13.755 1.438 -2.714
457 H ARG 69 H ARG 69 14.453 0.144 0.811
458 HA ARG 69 HA ARG 69 12.921 1.928 2.628
459 HB3 ARG 69 2HB ARG 69 15.612 0.670 3.113
460 HG3 ARG 69 2HG ARG 69 13.802 1.093 5.405
461 HD3 ARG 69 2HD ARG 69 15.786 2.734 5.961
462 HE ARG 69 HE ARG 69 15.457 0.348 6.825
463 HH11 ARG 69 1HH1 ARG 69 18.305 1.055 4.815
464 HH12 ARG 69 2HH1 ARG 69 19.417 0.340 5.936
465 HH21 ARG 69 1HH2 ARG 69 16.975 -0.713 8.258
466 HH22 ARG 69 2HH2 ARG 69 18.660 -0.612 7.888
467 H SER 70 H SER 70 12.958 3.534 1.031
468 HA SER 70 HA SER 70 15.373 5.230 0.904
469 HB3 SER 70 2HB SER 70 13.846 4.544 -1.626
470 HG SER 70 HG SER 70 16.249 4.688 -2.200
471 H THR 71 H THR 71 14.732 7.342 -0.235
472 HA THR 71 HA THR 71 11.899 8.076 0.233
473 HB THR 71 HB THR 71 13.264 8.603 2.148
474 HG1 THR 71 1HG THR 71 12.306 10.979 0.971
475 HG21 THR 71 3HG2 THR 71 15.261 9.172 0.941
476 HG22 THR 71 1HG2 THR 71 14.751 10.549 1.952
477 HG23 THR 71 2HG2 THR 71 14.438 10.546 0.184
478 H PHE 72 H PHE 72 14.424 7.914 -1.992
479 HA PHE 72 HA PHE 72 13.876 10.279 -3.555
480 HB3 PHE 72 2HB PHE 72 14.970 8.692 -5.361
481 HD1 PHE 72 2HD PHE 72 15.618 11.409 -3.786
482 HD2 PHE 72 1HD PHE 72 17.653 7.642 -4.444
483 HE1 PHE 72 2HE PHE 72 17.781 12.552 -3.708
484 HE2 PHE 72 1HE PHE 72 19.812 8.807 -4.353
485 HZ PHE 72 HZ PHE 72 19.891 11.275 -4.021
486 H GLU 73 H GLU 73 12.056 10.630 -4.664
487 HA GLU 73 HA GLU 73 9.961 8.954 -5.186
488 HB3 GLU 73 2HB GLU 73 11.092 11.225 -6.872
489 HG3 GLU 73 2HG GLU 73 8.152 10.638 -6.590
490 HA PRO 74 HA PRO 74 11.632 7.411 -9.373
491 HB3 PRO 74 2HB PRO 74 13.130 8.862 -10.390
492 HG3 PRO 74 2HG PRO 74 14.821 9.986 -9.108
493 HD3 PRO 74 2HD PRO 74 12.732 10.516 -8.141
494 H ASP 75 H ASP 75 13.340 6.890 -6.368
495 HA ASP 75 HA ASP 75 14.322 4.209 -7.146
496 HB3 ASP 75 2HB ASP 75 14.742 3.988 -4.670
497 H LEU 76 H LEU 76 11.686 5.826 -5.429
498 HA LEU 76 HA LEU 76 10.508 3.412 -4.302
499 HB3 LEU 76 2HB LEU 76 8.606 5.052 -3.775
500 HG LEU 76 HG LEU 76 11.388 5.895 -2.875
501 HD11 LEU 76 1HD1 LEU 76 10.230 7.078 -1.041
502 HD12 LEU 76 2HD1 LEU 76 8.663 6.701 -1.781
503 HD13 LEU 76 3HD1 LEU 76 9.828 7.753 -2.631
504 HD21 LEU 76 3HD2 LEU 76 10.552 3.559 -2.172
505 HD22 LEU 76 1HD2 LEU 76 9.289 4.400 -1.259
506 HD23 LEU 76 2HD2 LEU 76 10.983 4.660 -0.865
507 H ASP 77 H ASP 77 9.498 5.749 -6.882
508 HA ASP 77 HA ASP 77 7.127 4.293 -7.403
509 HB3 ASP 77 2HB ASP 77 8.409 5.917 -9.583
510 H ALA 78 H ALA 78 10.330 4.050 -8.835
511 HA ALA 78 HA ALA 78 9.852 2.229 -10.941
512 HB1 ALA 78 1HB ALA 78 11.970 3.418 -10.594
513 HB2 ALA 78 2HB ALA 78 12.262 2.512 -9.085
514 HB3 ALA 78 3HB ALA 78 12.249 1.680 -10.656
515 H TYR 79 H TYR 79 10.020 1.668 -7.410
516 HA TYR 79 HA TYR 79 10.360 -1.164 -7.453
517 HB3 TYR 79 2HB TYR 79 8.567 0.312 -5.525
518 HD1 TYR 79 1HD TYR 79 11.633 -1.741 -4.976
519 HD2 TYR 79 2HD TYR 79 7.345 -1.527 -4.816
520 HE1 TYR 79 1HE TYR 79 11.581 -4.024 -3.972
521 HE2 TYR 79 2HE TYR 79 7.275 -3.866 -3.927
522 HH TYR 79 HH TYR 79 8.490 -5.774 -3.691
523 H ALA 80 H ALA 80 7.422 0.908 -7.633
524 HA ALA 80 HA ALA 80 5.643 -1.364 -7.621
525 HB1 ALA 80 1HB ALA 80 4.962 0.868 -6.771
526 HB2 ALA 80 2HB ALA 80 5.121 1.530 -8.416
527 HB3 ALA 80 3HB ALA 80 3.884 0.299 -8.065
528 H GLU 81 H GLU 81 7.411 0.292 -10.144
529 HA GLU 81 HA GLU 81 5.683 -0.742 -12.266
530 HB3 GLU 81 2HB GLU 81 7.568 -0.075 -13.737
531 HG3 GLU 81 2HG GLU 81 6.909 2.234 -11.906
532 H ARG 82 H ARG 82 8.705 -1.575 -10.639
533 HA ARG 82 HA ARG 82 9.296 -3.821 -12.322
534 HB3 ARG 82 2HB ARG 82 10.231 -3.220 -9.478
535 HG3 ARG 82 2HG ARG 82 11.566 -4.785 -11.750
536 HD3 ARG 82 2HD ARG 82 12.604 -3.625 -9.322
537 HE ARG 82 HE ARG 82 12.542 -5.410 -7.933
538 HH11 ARG 82 1HH1 ARG 82 13.278 -6.702 -11.193
539 HH12 ARG 82 2HH1 ARG 82 13.480 -8.327 -10.580
540 HH21 ARG 82 1HH2 ARG 82 12.851 -7.576 -7.242
541 HH22 ARG 82 2HH2 ARG 82 13.262 -8.813 -8.417
542 H ALA 83 H ALA 83 7.912 -3.673 -8.997
543 HA ALA 83 HA ALA 83 7.728 -6.432 -8.613
544 HB1 ALA 83 1HB ALA 83 6.052 -5.856 -6.874
545 HB2 ALA 83 2HB ALA 83 7.416 -4.719 -6.826
546 HB3 ALA 83 3HB ALA 83 5.881 -4.232 -7.571
547 H ALA 84 H ALA 84 5.455 -4.214 -10.183
548 HA ALA 84 HA ALA 84 3.308 -6.128 -10.477
549 HB1 ALA 84 1HB ALA 84 2.252 -4.294 -11.734
550 HB2 ALA 84 2HB ALA 84 2.976 -3.668 -10.240
551 HB3 ALA 84 3HB ALA 84 3.804 -3.426 -11.796
552 H ARG 85 H ARG 85 6.239 -6.144 -12.036
553 HA ARG 85 HA ARG 85 5.041 -6.861 -14.666
554 HB3 ARG 85 2HB ARG 85 7.911 -6.168 -13.920
555 HG3 ARG 85 2HG ARG 85 6.405 -6.433 -16.548
556 HD3 ARG 85 2HD ARG 85 9.155 -5.265 -15.952
557 HE ARG 85 HE ARG 85 9.465 -5.614 -18.228
558 HH11 ARG 85 1HH1 ARG 85 6.036 -4.799 -17.705
559 HH12 ARG 85 2HH1 ARG 85 5.635 -4.797 -19.381
560 HH21 ARG 85 1HH2 ARG 85 8.917 -5.489 -20.500
561 HH22 ARG 85 2HH2 ARG 85 7.264 -5.290 -20.953
562 H ILE 86 H ILE 86 6.666 -8.269 -11.970
563 HA ILE 86 HA ILE 86 6.963 -10.849 -13.441
564 HB ILE 86 HB ILE 86 7.673 -10.295 -10.528
565 HG13 ILE 86 2HG1 ILE 86 9.398 -10.123 -13.026
566 HG21 ILE 86 1HG2 ILE 86 8.365 -12.574 -12.440
567 HG22 ILE 86 2HG2 ILE 86 8.985 -12.404 -10.781
568 HG23 ILE 86 3HG2 ILE 86 7.269 -12.671 -11.053
569 HD11 ILE 86 3HD1 ILE 86 10.511 -8.284 -11.609
570 HD12 ILE 86 1HD1 ILE 86 8.925 -7.906 -12.274
571 HD13 ILE 86 2HD1 ILE 86 9.086 -8.364 -10.558
572 H ASP 87 H ASP 87 5.073 -9.251 -10.817
573 HA ASP 87 HA ASP 87 3.921 -11.611 -9.819
574 HB3 ASP 87 2HB ASP 87 2.344 -9.039 -9.786
575 HA PRO 88 HA PRO 88 0.804 -12.581 -12.911
576 HB3 PRO 88 2HB PRO 88 0.464 -14.635 -11.912
577 HG3 PRO 88 2HG PRO 88 0.721 -14.936 -9.588
578 HD3 PRO 88 2HD PRO 88 2.643 -13.856 -10.425
579 H ASP 89 H ASP 89 -0.358 -11.409 -9.711
580 HA ASP 89 HA ASP 89 -2.076 -9.370 -10.919
581 HB3 ASP 89 2HB ASP 89 -3.957 -10.668 -9.406
582 H ILE 90 H ILE 90 -0.599 -8.132 -9.658
583 HA ILE 90 HA ILE 90 -0.902 -8.309 -6.729
584 HB ILE 90 HB ILE 90 1.313 -8.122 -7.808
585 HG13 ILE 90 2HG1 ILE 90 0.937 -7.511 -5.494
586 HG21 ILE 90 1HG2 ILE 90 0.792 -6.674 -9.691
587 HG22 ILE 90 2HG2 ILE 90 0.492 -5.314 -8.607
588 HG23 ILE 90 3HG2 ILE 90 2.121 -6.035 -8.744
589 HD11 ILE 90 3HD1 ILE 90 3.229 -7.557 -6.348
590 HD12 ILE 90 1HD1 ILE 90 3.121 -5.833 -6.768
591 HD13 ILE 90 2HD1 ILE 90 2.998 -6.340 -5.078
592 H TRP 91 H TRP 91 -1.551 -6.314 -5.553
593 HA TRP 91 HA TRP 91 -3.417 -4.553 -7.070
594 HB3 TRP 91 2HB TRP 91 -3.896 -3.949 -4.536
595 HD1 TRP 91 HD TRP 91 -3.790 -7.745 -5.138
596 HE1 TRP 91 1HE TRP 91 -6.160 -8.665 -5.205
597 HE3 TRP 91 3HE TRP 91 -6.290 -3.336 -5.057
598 HZ2 TRP 91 2HZ TRP 91 -8.879 -7.556 -5.402
599 HZ3 TRP 91 3HZ TRP 91 -8.798 -3.270 -5.148
600 HH2 TRP 91 HH TRP 91 -10.081 -5.387 -5.315
601 H VAL 92 H VAL 92 -3.170 -2.241 -6.899
602 HA VAL 92 HA VAL 92 -0.570 -1.165 -5.931
603 HB VAL 92 HB VAL 92 -1.982 -0.540 -8.559
604 HG11 VAL 92 1HG1 VAL 92 -0.946 1.494 -7.646
605 HG12 VAL 92 2HG1 VAL 92 0.603 0.640 -7.463
606 HG13 VAL 92 3HG1 VAL 92 -0.084 0.921 -9.079
607 HG21 VAL 92 3HG2 VAL 92 -0.090 -1.378 -9.769
608 HG22 VAL 92 1HG2 VAL 92 0.842 -1.627 -8.297
609 HG23 VAL 92 2HG2 VAL 92 -0.563 -2.666 -8.652
610 H VAL 93 H VAL 93 -1.231 0.226 -4.321
611 HA VAL 93 HA VAL 93 -3.880 1.548 -4.600
612 HB VAL 93 HB VAL 93 -2.672 0.618 -1.984
613 HG11 VAL 93 1HG1 VAL 93 -4.489 2.334 -2.006
614 HG12 VAL 93 2HG1 VAL 93 -5.529 1.199 -2.879
615 HG13 VAL 93 3HG1 VAL 93 -4.993 0.819 -1.230
616 HG21 VAL 93 3HG2 VAL 93 -4.181 -1.340 -2.053
617 HG22 VAL 93 1HG2 VAL 93 -4.603 -0.987 -3.716
618 HG23 VAL 93 2HG2 VAL 93 -2.945 -1.464 -3.288
619 H GLU 94 H GLU 94 -3.657 3.689 -4.735
620 HA GLU 94 HA GLU 94 -1.042 4.864 -3.987
621 HB3 GLU 94 2HB GLU 94 -1.422 6.373 -5.875
622 HG3 GLU 94 2HG GLU 94 -1.996 3.511 -6.788
623 H ILE 95 H ILE 95 -1.184 6.014 -2.163
624 HA ILE 95 HA ILE 95 -3.679 7.473 -1.497
625 HB ILE 95 HB ILE 95 -1.540 6.578 0.475
626 HG13 ILE 95 2HG1 ILE 95 -2.825 4.671 1.152
627 HG21 ILE 95 1HG2 ILE 95 -4.408 7.442 0.840
628 HG22 ILE 95 2HG2 ILE 95 -3.349 6.807 2.121
629 HG23 ILE 95 3HG2 ILE 95 -2.930 8.309 1.299
630 HD11 ILE 95 3HD1 ILE 95 -5.109 5.283 0.321
631 HD12 ILE 95 1HD1 ILE 95 -4.530 5.001 -1.348
632 HD13 ILE 95 2HD1 ILE 95 -4.586 3.675 -0.171
633 H GLU 96 H GLU 96 -3.376 9.622 -2.062
634 HA GLU 96 HA GLU 96 -0.667 10.758 -1.639
635 HB3 GLU 96 2HB GLU 96 -1.374 12.488 -3.319
636 HG3 GLU 96 2HG GLU 96 -1.138 9.945 -4.811
637 H ASP 97 H ASP 97 -0.760 11.470 0.352
638 HA ASP 97 HA ASP 97 -3.127 13.029 1.211
639 HB3 ASP 97 2HB ASP 97 -0.971 11.951 3.039
640 H ARG 98 H ARG 98 -2.411 14.643 3.049
641 HA ARG 98 HA ARG 98 -0.251 16.427 2.043
642 HB3 ARG 98 2HB ARG 98 -2.512 17.390 1.813
643 HG3 ARG 98 2HG ARG 98 -2.447 17.024 4.807
644 HD3 ARG 98 2HD ARG 98 -4.313 18.764 3.140
645 HE ARG 98 HE ARG 98 -4.362 18.245 6.099
646 HH11 ARG 98 1HH1 ARG 98 -6.228 18.831 3.098
647 HH12 ARG 98 2HH1 ARG 98 -7.709 18.986 3.929
648 HH21 ARG 98 1HH2 ARG 98 -6.346 18.305 7.120
649 HH22 ARG 98 2HH2 ARG 98 -7.829 18.471 6.224
650 H ASP 99 H ASP 99 -0.977 14.298 4.490
651 HA ASP 99 HA ASP 99 1.047 15.465 6.322
652 HB3 ASP 99 2HB ASP 99 -1.612 14.149 6.977
653 H GLY 100 H GLY 100 1.540 13.494 4.315
654 HA2 GLY 100 1HA GLY 100 2.789 11.577 4.086
655 HA3 GLY 100 2HA GLY 100 3.251 11.926 5.753
656 H ARG 101 H ARG 101 -0.064 11.023 5.067
657 HA ARG 101 HA ARG 101 0.439 8.803 6.976
658 HB3 ARG 101 2HB ARG 101 -1.017 10.350 7.945
659 HG3 ARG 101 2HG ARG 101 -2.711 10.163 5.425
660 HD3 ARG 101 2HD ARG 101 -4.043 10.369 7.540
661 HE ARG 101 HE ARG 101 -2.135 12.392 8.244
662 HH11 ARG 101 1HH1 ARG 101 -5.563 11.683 8.579
663 HH12 ARG 101 2HH1 ARG 101 -5.955 13.197 9.354
664 HH21 ARG 101 1HH2 ARG 101 -2.526 14.088 9.597
665 HH22 ARG 101 2HH2 ARG 101 -4.110 14.631 10.053
666 H HIS 102 H HIS 102 -0.878 6.847 6.777
667 HA HIS 102 HA HIS 102 -0.992 6.069 3.895
668 HB3 HIS 102 2HB HIS 102 0.091 4.045 4.463
669 HD1 HIS 102 1HD HIS 102 1.855 6.844 4.502
670 HD2 HIS 102 2HD HIS 102 1.526 4.044 7.648
671 HE1 HIS 102 1HE HIS 102 3.844 7.214 5.992
672 H PHE 103 H PHE 103 -2.905 6.419 6.688
673 HA PHE 103 HA PHE 103 -4.828 5.715 7.473
674 HB3 PHE 103 2HB PHE 103 -6.600 5.119 5.645
675 HD1 PHE 103 2HD PHE 103 -7.680 6.587 7.229
676 HD2 PHE 103 1HD PHE 103 -4.741 8.074 4.413
677 HE1 PHE 103 2HE PHE 103 -8.530 8.892 7.556
678 HE2 PHE 103 1HE PHE 103 -5.590 10.366 4.796
679 HZ PHE 103 HZ PHE 103 -7.476 10.790 6.337
680 H LEU 104 H LEU 104 -2.773 3.422 6.462
681 HA LEU 104 HA LEU 104 -4.402 1.058 6.580
682 HB3 LEU 104 2HB LEU 104 -2.114 -0.016 7.143
683 HG LEU 104 HG LEU 104 -2.408 1.684 4.621
684 HD11 LEU 104 1HD1 LEU 104 -0.307 -0.390 5.347
685 HD12 LEU 104 2HD1 LEU 104 -0.046 1.319 4.980
686 HD13 LEU 104 3HD1 LEU 104 -0.586 0.215 3.707
687 HD21 LEU 104 3HD2 LEU 104 -4.103 -0.039 4.724
688 HD22 LEU 104 1HD2 LEU 104 -2.921 -1.255 5.230
689 HD23 LEU 104 2HD2 LEU 104 -2.855 -0.574 3.596
690 H THR 105 H THR 105 -5.027 -0.157 8.288
691 HA THR 105 HA THR 105 -4.745 0.933 11.035
692 HB THR 105 HB THR 105 -6.971 0.758 9.950
693 HG1 THR 105 1HG THR 105 -6.850 0.553 12.208
694 HG21 THR 105 3HG2 THR 105 -6.492 -1.315 8.593
695 HG22 THR 105 1HG2 THR 105 -8.012 -1.370 9.466
696 HG23 THR 105 2HG2 THR 105 -6.593 -2.252 10.088
697 H GLU 106 H GLU 106 -2.795 -0.800 9.383
698 HA GLU 106 HA GLU 106 -2.817 -3.404 10.787
699 HB3 GLU 106 2HB GLU 106 -1.434 -3.953 8.647
700 HG3 GLU 106 2HG GLU 106 -3.406 -3.604 7.009
701 HA PRO 107 HA PRO 107 1.397 -2.419 12.193
702 HB3 PRO 107 2HB PRO 107 1.563 -4.486 13.177
703 HG3 PRO 107 2HG PRO 107 0.544 -6.387 12.235
704 HD3 PRO 107 2HD PRO 107 -1.187 -4.830 12.232
705 H VAL 108 H VAL 108 3.413 -1.893 11.316
706 HA VAL 108 HA VAL 108 3.821 -2.330 8.430
707 HB VAL 108 HB VAL 108 3.886 0.410 9.712
708 HG11 VAL 108 1HG1 VAL 108 4.162 -0.370 6.777
709 HG12 VAL 108 2HG1 VAL 108 4.220 1.271 7.453
710 HG13 VAL 108 3HG1 VAL 108 5.506 0.115 7.810
711 HG21 VAL 108 3HG2 VAL 108 1.957 0.980 8.247
712 HG22 VAL 108 1HG2 VAL 108 1.831 -0.714 7.757
713 HG23 VAL 108 2HG2 VAL 108 1.536 -0.254 9.434
714 H GLU 109 H GLU 109 5.768 -3.059 8.210
715 HA GLU 109 HA GLU 109 7.866 -3.006 10.286
716 HB3 GLU 109 2HB GLU 109 8.778 -4.296 7.917
717 HG3 GLU 109 2HG GLU 109 7.849 -6.395 9.238
718 H SER 110 H SER 110 10.125 -2.779 9.140
719 HA SER 110 HA SER 110 10.241 -0.395 7.401
720 HB3 SER 110 2HB SER 110 11.477 -0.691 10.173
721 HG SER 110 HG SER 110 12.362 1.178 9.940
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -13.787 -15.565 13.920
2 HA2 GLY 1 1HA GLY 1 -12.067 -16.893 11.896
3 HA3 GLY 1 2HA GLY 1 -13.617 -17.542 12.485
4 H MET 2 H MET 2 -12.157 -15.568 10.086
5 HA MET 2 HA MET 2 -14.771 -14.606 9.139
6 HB3 MET 2 2HB MET 2 -13.894 -12.381 8.683
7 HG3 MET 2 2HG MET 2 -13.243 -12.867 11.600
8 HE1 MET 2 3HE MET 2 -15.334 -10.625 9.007
9 HE2 MET 2 1HE MET 2 -16.274 -10.942 10.484
10 HE3 MET 2 2HE MET 2 -15.720 -9.298 10.117
11 H LEU 3 H LEU 3 -14.512 -13.804 6.847
12 HA LEU 3 HA LEU 3 -12.218 -14.972 5.418
13 HB3 LEU 3 2HB LEU 3 -15.059 -15.457 4.491
14 HG LEU 3 HG LEU 3 -14.061 -17.600 3.657
15 HD11 LEU 3 1HD1 LEU 3 -12.719 -15.213 2.362
16 HD12 LEU 3 2HD1 LEU 3 -14.412 -15.718 2.127
17 HD13 LEU 3 3HD1 LEU 3 -13.109 -16.800 1.642
18 HD21 LEU 3 3HD2 LEU 3 -11.744 -18.034 3.582
19 HD22 LEU 3 1HD2 LEU 3 -12.021 -17.426 5.219
20 HD23 LEU 3 2HD2 LEU 3 -11.305 -16.373 3.990
21 H LEU 4 H LEU 4 -12.036 -12.615 5.846
22 HA LEU 4 HA LEU 4 -13.328 -10.705 4.005
23 HB3 LEU 4 2HB LEU 4 -11.287 -9.296 4.661
24 HG LEU 4 HG LEU 4 -13.389 -10.260 6.579
25 HD11 LEU 4 1HD1 LEU 4 -11.404 -10.383 8.011
26 HD12 LEU 4 2HD1 LEU 4 -12.507 -9.072 8.487
27 HD13 LEU 4 3HD1 LEU 4 -11.005 -8.693 7.615
28 HD21 LEU 4 3HD2 LEU 4 -13.741 -8.347 5.074
29 HD22 LEU 4 1HD2 LEU 4 -12.391 -7.478 5.836
30 HD23 LEU 4 2HD2 LEU 4 -13.854 -7.869 6.773
31 H SER 5 H SER 5 -11.990 -9.793 2.158
32 HA SER 5 HA SER 5 -9.856 -11.588 1.222
33 HB3 SER 5 2HB SER 5 -10.957 -11.600 -1.040
34 HG SER 5 HG SER 5 -12.869 -12.910 0.400
35 H THR 6 H THR 6 -8.836 -10.598 -0.780
36 HA THR 6 HA THR 6 -7.708 -8.210 0.037
37 HB THR 6 HB THR 6 -7.607 -9.438 -2.743
38 HG1 THR 6 1HG THR 6 -5.578 -10.236 -1.667
39 HG21 THR 6 3HG2 THR 6 -6.670 -7.121 -2.547
40 HG22 THR 6 1HG2 THR 6 -5.395 -8.317 -2.774
41 HG23 THR 6 2HG2 THR 6 -5.708 -7.660 -1.158
42 H ASP 7 H ASP 7 -10.294 -8.720 -2.398
43 HA ASP 7 HA ASP 7 -10.391 -6.018 -3.263
44 HB3 ASP 7 2HB ASP 7 -11.414 -7.905 -4.485
45 H ILE 8 H ILE 8 -12.101 -7.734 -0.653
46 HA ILE 8 HA ILE 8 -13.803 -5.722 0.203
47 HB ILE 8 HB ILE 8 -12.433 -7.668 2.070
48 HG13 ILE 8 2HG1 ILE 8 -14.412 -9.061 1.782
49 HG21 ILE 8 1HG2 ILE 8 -14.635 -7.320 3.284
50 HG22 ILE 8 2HG2 ILE 8 -13.467 -6.002 3.332
51 HG23 ILE 8 3HG2 ILE 8 -14.867 -5.880 2.240
52 HD11 ILE 8 3HD1 ILE 8 -16.002 -7.437 0.743
53 HD12 ILE 8 1HD1 ILE 8 -15.030 -7.524 -0.754
54 HD13 ILE 8 2HD1 ILE 8 -15.842 -8.971 -0.125
55 H TRP 9 H TRP 9 -10.449 -6.361 1.473
56 HA TRP 9 HA TRP 9 -10.670 -4.207 3.363
57 HB3 TRP 9 2HB TRP 9 -8.269 -4.370 3.627
58 HD1 TRP 9 HD TRP 9 -10.071 -5.611 5.594
59 HE1 TRP 9 1HE TRP 9 -9.455 -7.831 6.669
60 HE3 TRP 9 3HE TRP 9 -7.273 -7.538 1.857
61 HZ2 TRP 9 2HZ TRP 9 -8.254 -10.373 5.825
62 HZ3 TRP 9 3HZ TRP 9 -6.483 -9.920 1.922
63 HH2 TRP 9 HH TRP 9 -6.967 -11.322 3.934
64 H VAL 10 H VAL 10 -9.279 -4.351 0.039
65 HA VAL 10 HA VAL 10 -8.160 -1.747 -0.038
66 HB VAL 10 HB VAL 10 -9.428 -3.496 -2.169
67 HG11 VAL 10 1HG1 VAL 10 -7.856 -0.911 -2.566
68 HG12 VAL 10 2HG1 VAL 10 -8.261 -2.066 -3.853
69 HG13 VAL 10 3HG1 VAL 10 -9.550 -1.195 -3.020
70 HG21 VAL 10 3HG2 VAL 10 -6.498 -2.845 -1.691
71 HG22 VAL 10 1HG2 VAL 10 -7.286 -4.301 -1.080
72 HG23 VAL 10 2HG2 VAL 10 -7.171 -4.036 -2.819
73 H ALA 11 H ALA 11 -11.531 -2.875 -0.647
74 HA ALA 11 HA ALA 11 -12.591 -0.452 -1.462
75 HB1 ALA 11 1HB ALA 11 -13.710 -2.684 -1.622
76 HB2 ALA 11 2HB ALA 11 -14.018 -2.672 0.124
77 HB3 ALA 11 3HB ALA 11 -14.762 -1.457 -0.921
78 H ALA 12 H ALA 12 -12.397 -1.700 1.913
79 HA ALA 12 HA ALA 12 -13.711 0.648 3.024
80 HB1 ALA 12 1HB ALA 12 -12.004 -1.531 4.316
81 HB2 ALA 12 2HB ALA 12 -12.838 -0.243 5.211
82 HB3 ALA 12 3HB ALA 12 -13.784 -1.403 4.285
83 H LEU 13 H LEU 13 -10.314 -0.350 2.687
84 HA LEU 13 HA LEU 13 -9.107 1.735 4.145
85 HB3 LEU 13 2HB LEU 13 -8.168 -0.098 1.925
86 HG LEU 13 HG LEU 13 -6.850 2.084 1.971
87 HD11 LEU 13 1HD1 LEU 13 -5.256 2.324 3.928
88 HD12 LEU 13 2HD1 LEU 13 -6.070 0.974 4.750
89 HD13 LEU 13 3HD1 LEU 13 -6.929 2.501 4.446
90 HD21 LEU 13 3HD2 LEU 13 -4.669 0.988 1.930
91 HD22 LEU 13 1HD2 LEU 13 -5.880 -0.010 1.131
92 HD23 LEU 13 2HD2 LEU 13 -5.327 -0.431 2.767
93 H ILE 14 H ILE 14 -9.829 1.603 0.590
94 HA ILE 14 HA ILE 14 -8.786 4.171 0.015
95 HB ILE 14 HB ILE 14 -10.882 2.381 -1.197
96 HG13 ILE 14 2HG1 ILE 14 -9.299 2.153 -3.003
97 HG21 ILE 14 1HG2 ILE 14 -10.322 5.202 -2.172
98 HG22 ILE 14 2HG2 ILE 14 -10.943 3.917 -3.222
99 HG23 ILE 14 3HG2 ILE 14 -11.875 4.442 -1.812
100 HD11 ILE 14 3HD1 ILE 14 -7.161 3.208 -3.072
101 HD12 ILE 14 1HD1 ILE 14 -8.293 4.548 -2.808
102 HD13 ILE 14 2HD1 ILE 14 -7.326 3.902 -1.470
103 H ARG 15 H ARG 15 -11.973 3.252 1.102
104 HA ARG 15 HA ARG 15 -13.055 5.946 1.063
105 HB3 ARG 15 2HB ARG 15 -14.684 5.233 2.810
106 HG3 ARG 15 2HG ARG 15 -14.604 3.097 0.669
107 HD3 ARG 15 2HD ARG 15 -16.871 4.779 1.835
108 HE ARG 15 HE ARG 15 -16.794 2.844 -0.309
109 HH11 ARG 15 1HH1 ARG 15 -19.006 4.093 2.261
110 HH12 ARG 15 2HH1 ARG 15 -20.357 3.296 1.506
111 HH21 ARG 15 1HH2 ARG 15 -18.569 1.927 -1.146
112 HH22 ARG 15 2HH2 ARG 15 -20.109 1.905 -0.295
113 H ARG 16 H ARG 16 -11.322 4.171 3.636
114 HA ARG 16 HA ARG 16 -11.577 6.155 5.650
115 HB3 ARG 16 2HB ARG 16 -9.416 5.100 6.554
116 HG3 ARG 16 2HG ARG 16 -11.897 3.526 5.898
117 HD3 ARG 16 2HD ARG 16 -9.255 2.338 6.652
118 HE ARG 16 HE ARG 16 -10.027 1.399 8.518
119 HH11 ARG 16 1HH1 ARG 16 -12.978 1.871 6.535
120 HH12 ARG 16 2HH1 ARG 16 -13.986 1.099 7.734
121 HH21 ARG 16 1HH2 ARG 16 -11.381 0.178 9.875
122 HH22 ARG 16 2HH2 ARG 16 -13.093 0.156 9.589
123 H ALA 17 H ALA 17 -9.168 6.041 2.982
124 HA ALA 17 HA ALA 17 -7.648 8.301 4.040
125 HB1 ALA 17 1HB ALA 17 -6.398 6.960 2.574
126 HB2 ALA 17 2HB ALA 17 -7.742 6.831 1.384
127 HB3 ALA 17 3HB ALA 17 -6.832 8.341 1.575
128 H GLU 18 H GLU 18 -10.013 7.832 1.385
129 HA GLU 18 HA GLU 18 -10.120 10.485 0.454
130 HB3 GLU 18 2HB GLU 18 -12.524 9.625 -0.191
131 HG3 GLU 18 2HG GLU 18 -10.178 8.005 -1.318
132 H LEU 19 H LEU 19 -11.858 8.944 3.166
133 HA LEU 19 HA LEU 19 -13.609 11.120 3.754
134 HB3 LEU 19 2HB LEU 19 -13.151 9.809 6.172
135 HG LEU 19 HG LEU 19 -15.225 10.184 5.035
136 HD11 LEU 19 1HD1 LEU 19 -14.687 7.737 3.287
137 HD12 LEU 19 2HD1 LEU 19 -14.736 9.411 2.705
138 HD13 LEU 19 3HD1 LEU 19 -16.188 8.668 3.360
139 HD21 LEU 19 3HD2 LEU 19 -14.637 7.313 5.878
140 HD22 LEU 19 1HD2 LEU 19 -16.283 7.916 5.636
141 HD23 LEU 19 2HD2 LEU 19 -15.271 8.662 6.879
142 H GLY 20 H GLY 20 -10.354 10.560 4.551
143 HA2 GLY 20 1HA GLY 20 -9.978 12.866 6.368
144 HA3 GLY 20 2HA GLY 20 -8.705 11.892 5.625
145 H GLY 21 H GLY 21 -10.635 12.538 3.057
146 HA2 GLY 21 1HA GLY 21 -11.030 14.166 1.582
147 HA3 GLY 21 2HA GLY 21 -10.031 15.309 2.493
148 H ALA 22 H ALA 22 -8.313 12.459 2.060
149 HA ALA 22 HA ALA 22 -6.440 13.841 0.306
150 HB1 ALA 22 1HB ALA 22 -6.425 11.029 1.483
151 HB2 ALA 22 2HB ALA 22 -5.042 11.848 0.738
152 HB3 ALA 22 3HB ALA 22 -5.706 12.489 2.228
153 H PHE 23 H PHE 23 -5.346 12.089 -1.313
154 HA PHE 23 HA PHE 23 -7.479 11.573 -3.304
155 HB3 PHE 23 2HB PHE 23 -4.602 12.121 -4.020
156 HD1 PHE 23 2HD PHE 23 -7.708 14.121 -4.566
157 HD2 PHE 23 1HD PHE 23 -4.825 11.382 -6.293
158 HE1 PHE 23 2HE PHE 23 -8.778 14.374 -6.797
159 HE2 PHE 23 1HE PHE 23 -5.914 11.618 -8.478
160 HZ PHE 23 HZ PHE 23 -7.905 13.105 -8.750
161 H ALA 24 H ALA 24 -7.883 9.400 -2.736
162 HA ALA 24 HA ALA 24 -5.524 7.575 -2.847
163 HB1 ALA 24 1HB ALA 24 -6.705 7.676 -0.661
164 HB2 ALA 24 2HB ALA 24 -8.169 7.050 -1.462
165 HB3 ALA 24 3HB ALA 24 -6.676 6.081 -1.411
166 H THR 25 H THR 25 -5.763 5.640 -4.094
167 HA THR 25 HA THR 25 -8.232 5.106 -5.420
168 HB THR 25 HB THR 25 -7.293 6.931 -6.797
169 HG1 THR 25 1HG THR 25 -7.886 5.937 -8.665
170 HG21 THR 25 3HG2 THR 25 -4.942 6.261 -6.760
171 HG22 THR 25 1HG2 THR 25 -5.574 6.544 -8.376
172 HG23 THR 25 2HG2 THR 25 -5.339 4.857 -7.795
173 H VAL 26 H VAL 26 -8.070 3.197 -6.762
174 HA VAL 26 HA VAL 26 -5.901 1.343 -5.988
175 HB VAL 26 HB VAL 26 -8.068 0.553 -5.274
176 HG11 VAL 26 1HG1 VAL 26 -9.030 0.655 -8.158
177 HG12 VAL 26 2HG1 VAL 26 -9.885 -0.058 -6.780
178 HG13 VAL 26 3HG1 VAL 26 -9.609 1.692 -6.837
179 HG21 VAL 26 3HG2 VAL 26 -6.380 -1.052 -6.100
180 HG22 VAL 26 1HG2 VAL 26 -8.042 -1.610 -6.371
181 HG23 VAL 26 2HG2 VAL 26 -7.110 -0.981 -7.726
182 H ALA 27 H ALA 27 -4.619 0.751 -7.603
183 HA ALA 27 HA ALA 27 -5.119 1.809 -10.357
184 HB1 ALA 27 1HB ALA 27 -2.590 1.804 -8.657
185 HB2 ALA 27 2HB ALA 27 -2.679 2.299 -10.351
186 HB3 ALA 27 3HB ALA 27 -3.568 3.218 -9.128
187 H ARG 28 H ARG 28 -4.963 -1.040 -8.721
188 HA ARG 28 HA ARG 28 -4.349 -2.543 -11.113
189 HB3 ARG 28 2HB ARG 28 -2.747 -3.403 -8.717
190 HG3 ARG 28 2HG ARG 28 -2.890 -4.624 -11.104
191 HD3 ARG 28 2HD ARG 28 -0.695 -2.500 -11.281
192 HE ARG 28 HE ARG 28 -0.336 -5.080 -12.099
193 HH11 ARG 28 1HH1 ARG 28 -0.806 -2.029 -13.925
194 HH12 ARG 28 2HH1 ARG 28 0.178 -2.599 -15.255
195 HH21 ARG 28 1HH2 ARG 28 1.260 -5.549 -13.736
196 HH22 ARG 28 2HH2 ARG 28 1.232 -4.557 -15.183
197 H LYS 29 H LYS 29 -5.077 -4.770 -10.868
198 HA LYS 29 HA LYS 29 -6.934 -5.154 -8.561
199 HB3 LYS 29 2HB LYS 29 -7.458 -5.457 -11.548
200 HG3 LYS 29 2HG LYS 29 -9.252 -6.033 -9.146
201 HD3 LYS 29 2HD LYS 29 -10.724 -6.844 -11.238
202 HE3 LYS 29 2HE LYS 29 -11.925 -4.727 -11.352
203 HZ1 LYS 29 3HZ LYS 29 -10.984 -4.948 -8.592
204 HZ2 LYS 29 1HZ LYS 29 -11.935 -6.124 -9.250
205 HZ3 LYS 29 2HZ LYS 29 -12.482 -4.562 -9.104
206 H GLY 30 H GLY 30 -5.489 -6.565 -7.604
207 HA2 GLY 30 1HA GLY 30 -4.411 -8.941 -8.790
208 HA3 GLY 30 2HA GLY 30 -4.594 -8.626 -7.100
209 H ASP 31 H ASP 31 -5.202 -11.033 -7.395
210 HA ASP 31 HA ASP 31 -7.422 -11.904 -8.781
211 HB3 ASP 31 2HB ASP 31 -6.346 -13.319 -6.335
212 H ALA 32 H ALA 32 -8.319 -9.930 -6.941
213 HA ALA 32 HA ALA 32 -9.568 -9.254 -5.145
214 HB1 ALA 32 1HB ALA 32 -11.265 -9.768 -6.803
215 HB2 ALA 32 2HB ALA 32 -11.383 -11.441 -6.205
216 HB3 ALA 32 3HB ALA 32 -11.869 -10.085 -5.164
217 H ARG 33 H ARG 33 -8.745 -12.560 -4.928
218 HA ARG 33 HA ARG 33 -9.364 -12.718 -2.008
219 HB3 ARG 33 2HB ARG 33 -9.846 -15.200 -2.960
220 HG3 ARG 33 2HG ARG 33 -11.634 -12.750 -2.981
221 HD3 ARG 33 2HD ARG 33 -12.538 -15.576 -3.628
222 HE ARG 33 HE ARG 33 -14.058 -13.754 -2.393
223 HH11 ARG 33 1HH1 ARG 33 -13.958 -14.426 -5.876
224 HH12 ARG 33 2HH1 ARG 33 -15.640 -14.429 -6.143
225 HH21 ARG 33 1HH2 ARG 33 -16.271 -13.331 -2.735
226 HH22 ARG 33 2HH2 ARG 33 -17.012 -13.627 -4.282
227 H ALA 34 H ALA 34 -7.269 -13.857 -4.710
228 HA ALA 34 HA ALA 34 -5.245 -14.490 -2.646
229 HB1 ALA 34 1HB ALA 34 -5.626 -15.889 -5.320
230 HB2 ALA 34 2HB ALA 34 -4.363 -16.237 -4.126
231 HB3 ALA 34 3HB ALA 34 -6.065 -16.547 -3.721
232 H GLY 35 H GLY 35 -5.800 -11.954 -3.810
233 HA2 GLY 35 1HA GLY 35 -3.394 -11.490 -5.480
234 HA3 GLY 35 2HA GLY 35 -4.688 -10.319 -5.260
235 H ALA 36 H ALA 36 -1.697 -10.632 -4.535
236 HA ALA 36 HA ALA 36 -1.616 -9.906 -1.649
237 HB1 ALA 36 1HB ALA 36 0.315 -11.084 -2.595
238 HB2 ALA 36 2HB ALA 36 0.524 -9.832 -3.835
239 HB3 ALA 36 3HB ALA 36 0.796 -9.450 -2.123
240 H VAL 37 H VAL 37 -0.425 -7.634 -1.207
241 HA VAL 37 HA VAL 37 -1.642 -5.535 -2.924
242 HB VAL 37 HB VAL 37 -1.509 -5.717 0.118
243 HG11 VAL 37 1HG1 VAL 37 -3.179 -3.923 0.099
244 HG12 VAL 37 2HG1 VAL 37 -1.665 -3.398 -0.569
245 HG13 VAL 37 3HG1 VAL 37 -3.027 -3.770 -1.669
246 HG21 VAL 37 3HG2 VAL 37 -3.102 -7.412 -0.636
247 HG22 VAL 37 1HG2 VAL 37 -3.988 -6.057 0.028
248 HG23 VAL 37 2HG2 VAL 37 -3.869 -6.242 -1.739
249 H LEU 38 H LEU 38 -0.686 -3.412 -2.705
250 HA LEU 38 HA LEU 38 1.819 -3.121 -1.172
251 HB3 LEU 38 2HB LEU 38 2.383 -1.235 -2.843
252 HG LEU 38 HG LEU 38 2.666 -3.978 -4.092
253 HD11 LEU 38 1HD1 LEU 38 3.114 -2.013 -5.572
254 HD12 LEU 38 2HD1 LEU 38 4.601 -2.890 -5.196
255 HD13 LEU 38 3HD1 LEU 38 4.238 -1.357 -4.363
256 HD21 LEU 38 3HD2 LEU 38 4.549 -2.534 -2.161
257 HD22 LEU 38 1HD2 LEU 38 4.861 -4.034 -3.073
258 HD23 LEU 38 2HD2 LEU 38 3.617 -4.009 -1.851
259 H VAL 39 H VAL 39 2.059 -0.993 -0.325
260 HA VAL 39 HA VAL 39 -0.219 0.890 -0.662
261 HB VAL 39 HB VAL 39 1.226 0.286 1.949
262 HG11 VAL 39 1HG1 VAL 39 0.654 2.696 1.700
263 HG12 VAL 39 2HG1 VAL 39 -1.027 2.255 1.349
264 HG13 VAL 39 3HG1 VAL 39 -0.328 1.937 2.948
265 HG21 VAL 39 3HG2 VAL 39 -1.729 -0.043 1.599
266 HG22 VAL 39 1HG2 VAL 39 -0.649 -1.376 1.182
267 HG23 VAL 39 2HG2 VAL 39 -0.625 -0.744 2.813
268 H LYS 40 H LYS 40 0.941 2.191 -2.120
269 HA LYS 40 HA LYS 40 3.650 3.080 -1.193
270 HB3 LYS 40 2HB LYS 40 2.363 3.381 -3.956
271 HG3 LYS 40 2HG LYS 40 5.281 3.424 -3.713
272 HD3 LYS 40 2HD LYS 40 3.931 4.285 -5.714
273 HE3 LYS 40 2HE LYS 40 3.654 6.840 -5.532
274 HZ1 LYS 40 3HZ LYS 40 1.714 5.225 -5.483
275 HZ2 LYS 40 1HZ LYS 40 1.463 6.748 -4.896
276 HZ3 LYS 40 2HZ LYS 40 1.634 5.500 -3.869
277 H ALA 41 H ALA 41 3.387 4.969 -0.008
278 HA ALA 41 HA ALA 41 1.072 6.751 -0.604
279 HB1 ALA 41 1HB ALA 41 0.860 5.584 1.591
280 HB2 ALA 41 2HB ALA 41 2.467 6.203 2.059
281 HB3 ALA 41 3HB ALA 41 1.122 7.329 1.782
282 H VAL 42 H VAL 42 1.494 9.011 -0.332
283 HA VAL 42 HA VAL 42 4.373 9.667 -0.820
284 HB VAL 42 HB VAL 42 2.373 9.893 -2.553
285 HG11 VAL 42 1HG1 VAL 42 2.159 12.550 -1.154
286 HG12 VAL 42 2HG1 VAL 42 1.294 12.022 -2.617
287 HG13 VAL 42 3HG1 VAL 42 1.000 11.254 -1.026
288 HG21 VAL 42 3HG2 VAL 42 4.546 11.981 -2.244
289 HG22 VAL 42 1HG2 VAL 42 4.624 10.440 -3.135
290 HG23 VAL 42 2HG2 VAL 42 3.556 11.723 -3.701
291 H ASP 43 H ASP 43 5.074 11.855 0.011
292 HA ASP 43 HA ASP 43 3.358 12.966 2.168
293 HB3 ASP 43 2HB ASP 43 6.376 13.101 2.085
294 H ARG 44 H ARG 44 2.331 14.250 0.507
295 HA ARG 44 HA ARG 44 4.073 16.021 -1.109
296 HB3 ARG 44 2HB ARG 44 1.796 17.074 -1.761
297 HG3 ARG 44 2HG ARG 44 1.216 15.007 -3.170
298 HD3 ARG 44 2HD ARG 44 3.361 14.972 -4.469
299 HE ARG 44 HE ARG 44 3.011 17.806 -4.140
300 HH11 ARG 44 1HH1 ARG 44 1.300 14.869 -5.357
301 HH12 ARG 44 2HH1 ARG 44 0.365 15.729 -6.480
302 HH21 ARG 44 1HH2 ARG 44 1.912 18.882 -5.835
303 HH22 ARG 44 2HH2 ARG 44 0.762 18.045 -6.830
304 H ARG 45 H ARG 45 3.423 16.147 2.180
305 HA ARG 45 HA ARG 45 2.973 19.043 2.246
306 HB3 ARG 45 2HB ARG 45 4.054 17.755 4.705
307 HG3 ARG 45 2HG ARG 45 1.500 19.254 3.957
308 HD3 ARG 45 2HD ARG 45 2.586 18.635 6.727
309 HE ARG 45 HE ARG 45 -0.101 19.762 6.238
310 HH11 ARG 45 1HH1 ARG 45 3.233 20.519 7.175
311 HH12 ARG 45 2HH1 ARG 45 2.782 21.929 8.071
312 HH21 ARG 45 1HH2 ARG 45 -0.630 21.691 7.037
313 HH22 ARG 45 2HH2 ARG 45 0.486 22.744 7.865
314 H GLU 46 H GLU 46 5.648 16.811 3.125
315 HA GLU 46 HA GLU 46 7.577 19.013 3.068
316 HB3 GLU 46 2HB GLU 46 9.168 17.335 3.778
317 HG3 GLU 46 2HG GLU 46 6.655 16.588 5.284
318 H GLY 47 H GLY 47 6.428 16.571 0.834
319 HA2 GLY 47 1HA GLY 47 6.912 16.559 -1.491
320 HA3 GLY 47 2HA GLY 47 8.400 17.454 -1.212
321 H THR 48 H THR 48 7.555 14.671 0.882
322 HA THR 48 HA THR 48 9.702 13.115 -0.429
323 HB THR 48 HB THR 48 9.966 11.938 1.726
324 HG1 THR 48 1HG THR 48 9.350 13.018 3.578
325 HG21 THR 48 3HG2 THR 48 11.369 13.944 0.880
326 HG22 THR 48 1HG2 THR 48 11.447 13.602 2.605
327 HG23 THR 48 2HG2 THR 48 10.421 14.930 2.028
328 H ALA 49 H ALA 49 9.209 10.575 0.261
329 HA ALA 49 HA ALA 49 6.348 10.012 0.070
330 HB1 ALA 49 1HB ALA 49 6.887 10.158 -2.287
331 HB2 ALA 49 2HB ALA 49 8.344 9.201 -2.092
332 HB3 ALA 49 3HB ALA 49 6.743 8.440 -1.889
333 H ARG 50 H ARG 50 6.118 7.466 0.117
334 HA ARG 50 HA ARG 50 8.208 6.226 1.804
335 HB3 ARG 50 2HB ARG 50 6.391 5.282 3.266
336 HG3 ARG 50 2HG ARG 50 5.563 7.323 4.438
337 HD3 ARG 50 2HD ARG 50 8.532 7.186 3.824
338 HE ARG 50 HE ARG 50 7.322 9.362 4.978
339 HH11 ARG 50 1HH1 ARG 50 9.452 6.887 6.483
340 HH12 ARG 50 2HH1 ARG 50 10.142 8.053 7.559
341 HH21 ARG 50 1HH2 ARG 50 8.321 10.797 6.324
342 HH22 ARG 50 2HH2 ARG 50 9.518 10.286 7.483
343 H LEU 51 H LEU 51 7.425 3.759 2.028
344 HA LEU 51 HA LEU 51 5.759 2.842 -0.135
345 HB3 LEU 51 2HB LEU 51 8.058 1.059 -0.165
346 HG LEU 51 HG LEU 51 6.894 2.917 -2.268
347 HD11 LEU 51 1HD1 LEU 51 8.143 1.700 -3.807
348 HD12 LEU 51 2HD1 LEU 51 8.629 0.442 -2.651
349 HD13 LEU 51 3HD1 LEU 51 9.275 2.110 -2.554
350 HD21 LEU 51 3HD2 LEU 51 5.912 0.807 -3.209
351 HD22 LEU 51 1HD2 LEU 51 5.207 1.193 -1.631
352 HD23 LEU 51 2HD2 LEU 51 6.443 -0.085 -1.774
353 H PHE 52 H PHE 52 4.697 0.991 0.558
354 HA PHE 52 HA PHE 52 6.128 -0.664 2.572
355 HB3 PHE 52 2HB PHE 52 4.199 -1.018 3.925
356 HD1 PHE 52 1HD PHE 52 6.116 0.269 5.140
357 HD2 PHE 52 2HD PHE 52 2.752 2.199 3.264
358 HE1 PHE 52 1HE PHE 52 6.669 2.385 6.319
359 HE2 PHE 52 2HE PHE 52 3.344 4.333 4.413
360 HZ PHE 52 HZ PHE 52 5.296 4.431 5.937
361 H SER 53 H SER 53 5.966 -2.779 2.268
362 HA SER 53 HA SER 53 4.182 -3.921 0.187
363 HB3 SER 53 2HB SER 53 6.373 -5.641 0.758
364 HG SER 53 HG SER 53 5.435 -5.313 -1.267
365 H GLU 54 H GLU 54 3.224 -5.929 0.815
366 HA GLU 54 HA GLU 54 3.094 -6.374 3.706
367 HB3 GLU 54 2HB GLU 54 1.012 -6.505 2.395
368 HG3 GLU 54 2HG GLU 54 2.359 -8.928 1.162
369 H ALA 55 H ALA 55 3.760 -8.387 4.595
370 HA ALA 55 HA ALA 55 5.235 -10.332 3.010
371 HB1 ALA 55 1HB ALA 55 7.034 -8.793 3.574
372 HB2 ALA 55 2HB ALA 55 6.471 -8.654 5.250
373 HB3 ALA 55 3HB ALA 55 7.152 -10.191 4.695
374 H THR 56 H THR 56 5.604 -12.285 4.411
375 HA THR 56 HA THR 56 3.970 -12.292 6.873
376 HB THR 56 HB THR 56 3.714 -14.839 6.181
377 HG1 THR 56 1HG THR 56 3.653 -15.229 4.133
378 HG21 THR 56 3HG2 THR 56 2.017 -12.571 5.103
379 HG22 THR 56 1HG2 THR 56 1.894 -13.319 6.695
380 HG23 THR 56 2HG2 THR 56 1.510 -14.280 5.259
381 H ARG 57 H ARG 57 4.524 -13.876 8.357
382 HA ARG 57 HA ARG 57 7.462 -14.299 8.563
383 HB3 ARG 57 2HB ARG 57 6.966 -14.238 11.048
384 HG3 ARG 57 2HG ARG 57 5.969 -11.839 9.459
385 HD3 ARG 57 2HD ARG 57 7.432 -12.168 12.054
386 HE ARG 57 HE ARG 57 7.720 -10.057 10.018
387 HH11 ARG 57 1HH1 ARG 57 7.857 -10.527 13.516
388 HH12 ARG 57 2HH1 ARG 57 9.169 -9.397 13.735
389 HH21 ARG 57 1HH2 ARG 57 9.612 -8.706 10.306
390 HH22 ARG 57 2HH2 ARG 57 10.272 -8.495 11.893
391 H GLY 58 H GLY 58 7.985 -16.068 10.330
392 HA2 GLY 58 1HA GLY 58 7.484 -18.601 9.153
393 HA3 GLY 58 2HA GLY 58 8.151 -18.307 10.768
394 H ASP 59 H ASP 59 5.440 -16.736 11.253
395 HA ASP 59 HA ASP 59 3.736 -19.149 11.622
396 HB3 ASP 59 2HB ASP 59 3.430 -16.664 13.237
397 H GLY 60 H GLY 60 3.982 -17.078 9.266
398 HA2 GLY 60 1HA GLY 60 2.513 -16.285 7.713
399 HA3 GLY 60 2HA GLY 60 1.189 -17.048 8.590
400 H GLU 61 H GLU 61 3.043 -14.930 10.542
401 HA GLU 61 HA GLU 61 0.847 -13.079 10.921
402 HB3 GLU 61 2HB GLU 61 3.718 -12.443 11.677
403 HG3 GLU 61 2HG GLU 61 1.440 -11.187 12.349
404 H ARG 62 H ARG 62 0.352 -11.434 9.548
405 HA ARG 62 HA ARG 62 2.198 -10.809 7.411
406 HB3 ARG 62 2HB ARG 62 -0.458 -9.488 8.075
407 HG3 ARG 62 2HG ARG 62 1.396 -9.622 5.686
408 HD3 ARG 62 2HD ARG 62 -0.535 -10.891 4.935
409 HE ARG 62 HE ARG 62 -2.157 -8.791 5.971
410 HH11 ARG 62 1HH1 ARG 62 -1.703 -10.674 3.011
411 HH12 ARG 62 2HH1 ARG 62 -3.367 -10.754 2.557
412 HH21 ARG 62 1HH2 ARG 62 -4.452 -8.752 5.315
413 HH22 ARG 62 2HH2 ARG 62 -4.970 -9.708 3.979
414 H PHE 63 H PHE 63 3.060 -8.623 7.016
415 HA PHE 63 HA PHE 63 2.736 -6.574 9.017
416 HB3 PHE 63 2HB PHE 63 4.539 -7.761 10.107
417 HD1 PHE 63 2HD PHE 63 5.004 -9.875 8.365
418 HD2 PHE 63 1HD PHE 63 7.252 -6.183 8.552
419 HE1 PHE 63 2HE PHE 63 7.002 -11.007 7.454
420 HE2 PHE 63 1HE PHE 63 9.257 -7.371 7.796
421 HZ PHE 63 HZ PHE 63 9.148 -9.789 7.209
422 H TRP 64 H TRP 64 3.723 -4.538 8.267
423 HA TRP 64 HA TRP 64 3.929 -4.414 5.311
424 HB3 TRP 64 2HB TRP 64 3.594 -1.945 5.785
425 HD1 TRP 64 HD TRP 64 0.850 -3.030 7.997
426 HE1 TRP 64 1HE TRP 64 -1.294 -3.546 6.667
427 HE3 TRP 64 3HE TRP 64 2.836 -3.074 3.308
428 HZ2 TRP 64 2HZ TRP 64 -2.042 -3.853 3.867
429 HZ3 TRP 64 3HZ TRP 64 1.424 -3.574 1.330
430 HH2 TRP 64 HH TRP 64 -1.018 -3.978 1.619
431 H MET 65 H MET 65 6.092 -4.855 4.860
432 HA MET 65 HA MET 65 8.165 -3.450 6.485
433 HB3 MET 65 2HB MET 65 8.402 -5.899 6.171
434 HG3 MET 65 2HG MET 65 9.233 -5.234 3.345
435 HE1 MET 65 3HE MET 65 10.492 -7.356 6.021
436 HE2 MET 65 1HE MET 65 11.428 -8.331 4.866
437 HE3 MET 65 2HE MET 65 11.391 -6.561 4.728
438 H GLN 66 H GLN 66 10.109 -2.686 5.160
439 HA GLN 66 HA GLN 66 9.082 -1.228 2.810
440 HB3 GLN 66 2HB GLN 66 10.459 0.615 3.338
441 HG3 GLN 66 2HG GLN 66 9.056 -0.188 5.928
442 HE21 GLN 66 1HE2 GLN 66 10.178 2.479 3.771
443 HE22 GLN 66 2HE2 GLN 66 10.333 3.581 5.126
444 HA PRO 67 HA PRO 67 12.487 -3.953 1.408
445 HB3 PRO 67 2HB PRO 67 11.057 -5.326 0.301
446 HG3 PRO 67 2HG PRO 67 8.964 -4.547 -0.470
447 HD3 PRO 67 2HD PRO 67 9.126 -3.909 1.821
448 H VAL 68 H VAL 68 11.722 -0.804 0.491
449 HA VAL 68 HA VAL 68 14.412 -0.492 -0.608
450 HB VAL 68 HB VAL 68 13.214 -0.392 -2.526
451 HG11 VAL 68 1HG1 VAL 68 11.036 1.244 -1.202
452 HG12 VAL 68 2HG1 VAL 68 11.190 0.962 -2.960
453 HG13 VAL 68 3HG1 VAL 68 10.915 -0.403 -1.886
454 HG21 VAL 68 3HG2 VAL 68 13.419 1.902 -3.315
455 HG22 VAL 68 1HG2 VAL 68 13.162 2.547 -1.691
456 HG23 VAL 68 2HG2 VAL 68 14.658 1.670 -2.066
457 H ARG 69 H ARG 69 15.308 0.189 1.220
458 HA ARG 69 HA ARG 69 14.051 2.228 2.910
459 HB3 ARG 69 2HB ARG 69 16.910 1.262 3.124
460 HG3 ARG 69 2HG ARG 69 15.658 3.161 4.601
461 HD3 ARG 69 2HD ARG 69 14.891 0.497 5.850
462 HE ARG 69 HE ARG 69 13.879 2.593 7.363
463 HH11 ARG 69 1HH1 ARG 69 16.954 0.855 6.854
464 HH12 ARG 69 2HH1 ARG 69 17.363 0.831 8.519
465 HH21 ARG 69 1HH2 ARG 69 14.520 2.586 9.635
466 HH22 ARG 69 2HH2 ARG 69 15.920 1.657 10.062
467 H SER 70 H SER 70 14.138 3.267 0.404
468 HA SER 70 HA SER 70 16.382 5.221 0.433
469 HB3 SER 70 2HB SER 70 14.922 4.154 -2.015
470 HG SER 70 HG SER 70 17.189 5.167 -2.671
471 H THR 71 H THR 71 15.592 7.177 -0.829
472 HA THR 71 HA THR 71 12.798 7.904 -0.237
473 HB THR 71 HB THR 71 14.184 8.537 1.629
474 HG1 THR 71 1HG THR 71 12.599 10.384 0.250
475 HG21 THR 71 3HG2 THR 71 15.701 10.424 1.347
476 HG22 THR 71 1HG2 THR 71 15.346 10.397 -0.412
477 HG23 THR 71 2HG2 THR 71 16.140 9.002 0.370
478 H PHE 72 H PHE 72 14.992 7.405 -2.655
479 HA PHE 72 HA PHE 72 14.647 9.755 -4.290
480 HB3 PHE 72 2HB PHE 72 15.148 7.918 -6.112
481 HD1 PHE 72 2HD PHE 72 17.460 7.598 -3.182
482 HD2 PHE 72 1HD PHE 72 16.579 9.685 -6.852
483 HE1 PHE 72 2HE PHE 72 19.687 8.643 -3.122
484 HE2 PHE 72 1HE PHE 72 18.790 10.792 -6.751
485 HZ PHE 72 HZ PHE 72 20.361 10.275 -4.874
486 H GLU 73 H GLU 73 12.879 10.397 -5.240
487 HA GLU 73 HA GLU 73 10.352 9.266 -4.994
488 HB3 GLU 73 2HB GLU 73 9.535 11.002 -6.157
489 HG3 GLU 73 2HG GLU 73 11.392 11.990 -4.712
490 HA PRO 74 HA PRO 74 10.504 7.254 -9.266
491 HB3 PRO 74 2HB PRO 74 11.665 8.627 -10.735
492 HG3 PRO 74 2HG PRO 74 13.839 9.476 -10.199
493 HD3 PRO 74 2HD PRO 74 12.328 10.264 -8.605
494 H ASP 75 H ASP 75 12.322 6.480 -6.631
495 HA ASP 75 HA ASP 75 12.786 3.675 -7.608
496 HB3 ASP 75 2HB ASP 75 13.660 3.752 -4.986
497 H LEU 76 H LEU 76 11.165 5.778 -5.251
498 HA LEU 76 HA LEU 76 9.695 3.657 -3.942
499 HB3 LEU 76 2HB LEU 76 8.349 5.589 -3.048
500 HG LEU 76 HG LEU 76 11.388 5.952 -2.871
501 HD11 LEU 76 1HD1 LEU 76 10.312 8.031 -2.279
502 HD12 LEU 76 2HD1 LEU 76 10.836 7.233 -0.784
503 HD13 LEU 76 3HD1 LEU 76 9.132 7.168 -1.258
504 HD21 LEU 76 3HD2 LEU 76 10.671 3.798 -1.948
505 HD22 LEU 76 1HD2 LEU 76 9.397 4.628 -1.007
506 HD23 LEU 76 2HD2 LEU 76 11.111 4.895 -0.641
507 H ASP 77 H ASP 77 8.896 6.034 -6.542
508 HA ASP 77 HA ASP 77 6.276 4.866 -6.992
509 HB3 ASP 77 2HB ASP 77 6.592 5.912 -9.325
510 H ALA 78 H ALA 78 9.498 4.303 -8.460
511 HA ALA 78 HA ALA 78 8.511 2.626 -10.501
512 HB1 ALA 78 1HB ALA 78 10.718 3.569 -10.671
513 HB2 ALA 78 2HB ALA 78 11.282 2.634 -9.249
514 HB3 ALA 78 3HB ALA 78 10.822 1.812 -10.756
515 H TYR 79 H TYR 79 9.567 1.707 -7.150
516 HA TYR 79 HA TYR 79 9.653 -1.082 -7.522
517 HB3 TYR 79 2HB TYR 79 8.345 0.269 -5.185
518 HD1 TYR 79 1HD TYR 79 7.011 -1.685 -4.569
519 HD2 TYR 79 2HD TYR 79 11.290 -1.951 -4.993
520 HE1 TYR 79 1HE TYR 79 6.979 -3.931 -3.542
521 HE2 TYR 79 2HE TYR 79 11.272 -4.140 -3.861
522 HH TYR 79 HH TYR 79 8.250 -5.810 -2.848
523 H ALA 80 H ALA 80 6.807 1.034 -6.941
524 HA ALA 80 HA ALA 80 4.940 -1.132 -6.756
525 HB1 ALA 80 1HB ALA 80 4.565 1.062 -5.704
526 HB2 ALA 80 2HB ALA 80 4.526 1.838 -7.304
527 HB3 ALA 80 3HB ALA 80 3.255 0.679 -6.850
528 H GLU 81 H GLU 81 6.418 0.387 -9.501
529 HA GLU 81 HA GLU 81 4.375 -0.659 -11.362
530 HB3 GLU 81 2HB GLU 81 5.936 0.083 -13.110
531 HG3 GLU 81 2HG GLU 81 5.554 2.285 -11.032
532 H ARG 82 H ARG 82 7.729 -1.248 -10.309
533 HA ARG 82 HA ARG 82 8.337 -3.299 -12.171
534 HB3 ARG 82 2HB ARG 82 10.274 -3.815 -10.713
535 HG3 ARG 82 2HG ARG 82 10.655 -1.121 -10.038
536 HD3 ARG 82 2HD ARG 82 11.404 -2.361 -12.709
537 HE ARG 82 HE ARG 82 12.307 -0.243 -12.883
538 HH11 ARG 82 1HH1 ARG 82 13.011 -1.446 -9.555
539 HH12 ARG 82 2HH1 ARG 82 13.816 0.000 -9.095
540 HH21 ARG 82 1HH2 ARG 82 13.409 1.667 -12.189
541 HH22 ARG 82 2HH2 ARG 82 14.040 1.791 -10.607
542 H ALA 83 H ALA 83 7.384 -3.564 -8.703
543 HA ALA 83 HA ALA 83 7.541 -6.412 -8.621
544 HB1 ALA 83 1HB ALA 83 5.949 -4.415 -6.962
545 HB2 ALA 83 2HB ALA 83 6.065 -6.154 -6.595
546 HB3 ALA 83 3HB ALA 83 7.512 -5.134 -6.572
547 H ALA 84 H ALA 84 4.904 -4.217 -9.559
548 HA ALA 84 HA ALA 84 2.883 -6.206 -9.803
549 HB1 ALA 84 1HB ALA 84 1.561 -4.410 -10.780
550 HB2 ALA 84 2HB ALA 84 2.503 -3.736 -9.450
551 HB3 ALA 84 3HB ALA 84 3.023 -3.450 -11.119
552 H ARG 85 H ARG 85 5.560 -6.184 -11.623
553 HA ARG 85 HA ARG 85 4.170 -7.096 -14.112
554 HB3 ARG 85 2HB ARG 85 6.357 -6.515 -15.236
555 HG3 ARG 85 2HG ARG 85 4.800 -4.300 -13.871
556 HD3 ARG 85 2HD ARG 85 7.116 -4.158 -15.843
557 HE ARG 85 HE ARG 85 5.503 -1.853 -14.876
558 HH11 ARG 85 1HH1 ARG 85 6.068 -4.040 -17.591
559 HH12 ARG 85 2HH1 ARG 85 5.521 -2.950 -18.790
560 HH21 ARG 85 1HH2 ARG 85 4.862 -0.298 -16.497
561 HH22 ARG 85 2HH2 ARG 85 4.423 -1.019 -18.014
562 H ILE 86 H ILE 86 5.846 -8.182 -11.393
563 HA ILE 86 HA ILE 86 6.517 -10.702 -12.852
564 HB ILE 86 HB ILE 86 7.798 -9.873 -10.222
565 HG13 ILE 86 2HG1 ILE 86 8.969 -9.711 -13.043
566 HG21 ILE 86 1HG2 ILE 86 7.576 -12.336 -10.701
567 HG22 ILE 86 2HG2 ILE 86 8.495 -12.109 -12.190
568 HG23 ILE 86 3HG2 ILE 86 9.240 -11.802 -10.595
569 HD11 ILE 86 3HD1 ILE 86 8.316 -7.508 -12.428
570 HD12 ILE 86 1HD1 ILE 86 8.791 -7.748 -10.721
571 HD13 ILE 86 2HD1 ILE 86 10.020 -7.607 -11.988
572 H ASP 87 H ASP 87 5.005 -9.180 -9.896
573 HA ASP 87 HA ASP 87 4.268 -11.680 -8.776
574 HB3 ASP 87 2HB ASP 87 2.261 -9.778 -8.099
575 HA PRO 88 HA PRO 88 1.379 -13.106 -11.593
576 HB3 PRO 88 2HB PRO 88 1.497 -15.145 -10.544
577 HG3 PRO 88 2HG PRO 88 1.677 -15.281 -8.178
578 HD3 PRO 88 2HD PRO 88 3.304 -13.738 -8.848
579 H ASP 89 H ASP 89 -0.034 -11.686 -8.656
580 HA ASP 89 HA ASP 89 -1.699 -10.067 -10.179
581 HB3 ASP 89 2HB ASP 89 -3.682 -11.342 -8.471
582 H ILE 90 H ILE 90 -0.848 -8.457 -9.020
583 HA ILE 90 HA ILE 90 -1.403 -8.414 -6.074
584 HB ILE 90 HB ILE 90 0.940 -8.598 -6.771
585 HG13 ILE 90 2HG1 ILE 90 0.272 -7.687 -4.613
586 HG21 ILE 90 1HG2 ILE 90 2.159 -6.766 -7.774
587 HG22 ILE 90 2HG2 ILE 90 0.831 -7.181 -8.834
588 HG23 ILE 90 3HG2 ILE 90 0.702 -5.743 -7.812
589 HD11 ILE 90 3HD1 ILE 90 2.394 -6.713 -3.962
590 HD12 ILE 90 1HD1 ILE 90 2.636 -8.107 -5.033
591 HD13 ILE 90 2HD1 ILE 90 2.834 -6.460 -5.658
592 H TRP 91 H TRP 91 -2.098 -6.449 -5.115
593 HA TRP 91 HA TRP 91 -3.639 -4.636 -6.914
594 HB3 TRP 91 2HB TRP 91 -4.624 -3.910 -4.681
595 HD1 TRP 91 HD TRP 91 -4.447 -7.769 -5.021
596 HE1 TRP 91 1HE TRP 91 -6.796 -8.670 -5.499
597 HE3 TRP 91 3HE TRP 91 -6.936 -3.359 -5.453
598 HZ2 TRP 91 2HZ TRP 91 -9.375 -7.588 -6.328
599 HZ3 TRP 91 3HZ TRP 91 -9.366 -3.316 -6.078
600 HH2 TRP 91 HH TRP 91 -10.577 -5.437 -6.473
601 H VAL 92 H VAL 92 -3.133 -2.462 -6.982
602 HA VAL 92 HA VAL 92 -0.770 -1.458 -5.459
603 HB VAL 92 HB VAL 92 -1.823 -0.698 -8.203
604 HG11 VAL 92 1HG1 VAL 92 -0.891 1.266 -7.060
605 HG12 VAL 92 2HG1 VAL 92 0.647 0.412 -6.837
606 HG13 VAL 92 3HG1 VAL 92 0.043 0.777 -8.475
607 HG21 VAL 92 3HG2 VAL 92 -0.406 -2.858 -8.166
608 HG22 VAL 92 1HG2 VAL 92 0.176 -1.559 -9.206
609 HG23 VAL 92 2HG2 VAL 92 0.961 -1.814 -7.657
610 H VAL 93 H VAL 93 -1.397 0.166 -4.036
611 HA VAL 93 HA VAL 93 -3.941 1.557 -4.537
612 HB VAL 93 HB VAL 93 -3.108 0.567 -1.804
613 HG11 VAL 93 1HG1 VAL 93 -5.407 1.072 -1.206
614 HG12 VAL 93 2HG1 VAL 93 -4.751 2.477 -2.059
615 HG13 VAL 93 3HG1 VAL 93 -5.833 1.366 -2.910
616 HG21 VAL 93 3HG2 VAL 93 -3.514 -1.506 -3.034
617 HG22 VAL 93 1HG2 VAL 93 -4.937 -1.177 -2.050
618 HG23 VAL 93 2HG2 VAL 93 -4.979 -0.828 -3.788
619 H GLU 94 H GLU 94 -3.641 3.652 -4.447
620 HA GLU 94 HA GLU 94 -0.871 4.605 -3.954
621 HB3 GLU 94 2HB GLU 94 -1.370 6.103 -5.871
622 HG3 GLU 94 2HG GLU 94 -2.069 4.400 -7.680
623 H ILE 95 H ILE 95 -1.013 5.601 -1.949
624 HA ILE 95 HA ILE 95 -3.470 7.138 -1.275
625 HB ILE 95 HB ILE 95 -1.263 6.224 0.625
626 HG13 ILE 95 2HG1 ILE 95 -2.757 4.404 1.357
627 HG21 ILE 95 1HG2 ILE 95 -4.089 7.110 1.235
628 HG22 ILE 95 2HG2 ILE 95 -2.882 6.523 2.400
629 HG23 ILE 95 3HG2 ILE 95 -2.596 8.028 1.520
630 HD11 ILE 95 3HD1 ILE 95 -4.930 5.240 0.307
631 HD12 ILE 95 1HD1 ILE 95 -4.265 4.762 -1.266
632 HD13 ILE 95 2HD1 ILE 95 -4.533 3.544 -0.000
633 H GLU 96 H GLU 96 -3.112 9.033 -2.429
634 HA GLU 96 HA GLU 96 -0.564 10.436 -2.001
635 HB3 GLU 96 2HB GLU 96 -1.902 12.244 -3.371
636 HG3 GLU 96 2HG GLU 96 -1.033 9.878 -4.983
637 H ASP 97 H ASP 97 -0.521 11.167 0.089
638 HA ASP 97 HA ASP 97 -2.769 12.936 0.905
639 HB3 ASP 97 2HB ASP 97 -1.111 11.498 2.970
640 H ARG 98 H ARG 98 -1.939 14.496 2.578
641 HA ARG 98 HA ARG 98 0.535 15.754 1.693
642 HB3 ARG 98 2HB ARG 98 -1.378 17.100 2.300
643 HG3 ARG 98 2HG ARG 98 -0.571 16.525 5.134
644 HD3 ARG 98 2HD ARG 98 -3.124 17.758 4.026
645 HE ARG 98 HE ARG 98 -1.981 18.248 6.736
646 HH11 ARG 98 1HH1 ARG 98 -4.761 16.765 4.964
647 HH12 ARG 98 2HH1 ARG 98 -5.786 16.893 6.323
648 HH21 ARG 98 1HH2 ARG 98 -3.279 18.356 8.405
649 HH22 ARG 98 2HH2 ARG 98 -4.999 17.969 8.294
650 H ASP 99 H ASP 99 -0.518 14.126 4.720
651 HA ASP 99 HA ASP 99 1.983 14.794 5.920
652 HB3 ASP 99 2HB ASP 99 -0.271 13.070 7.009
653 H GLY 100 H GLY 100 1.850 12.401 3.773
654 HA2 GLY 100 1HA GLY 100 3.137 10.453 3.527
655 HA3 GLY 100 2HA GLY 100 3.749 10.695 5.150
656 H ARG 101 H ARG 101 0.279 10.650 4.766
657 HA ARG 101 HA ARG 101 0.139 8.583 6.780
658 HB3 ARG 101 2HB ARG 101 -2.416 8.673 5.983
659 HG3 ARG 101 2HG ARG 101 -1.529 11.246 7.239
660 HD3 ARG 101 2HD ARG 101 -3.562 9.056 7.822
661 HE ARG 101 HE ARG 101 -2.466 10.920 9.652
662 HH11 ARG 101 1HH1 ARG 101 -5.576 9.422 8.672
663 HH12 ARG 101 2HH1 ARG 101 -6.151 9.295 10.303
664 HH21 ARG 101 1HH2 ARG 101 -3.470 11.052 11.781
665 HH22 ARG 101 2HH2 ARG 101 -5.112 10.509 12.000
666 H HIS 102 H HIS 102 -0.637 6.523 6.709
667 HA HIS 102 HA HIS 102 -0.954 5.270 4.021
668 HB3 HIS 102 2HB HIS 102 1.099 4.587 4.888
669 HD1 HIS 102 1HD HIS 102 -0.357 2.458 7.713
670 HD2 HIS 102 2HD HIS 102 2.109 5.805 7.033
671 HE1 HIS 102 1HE HIS 102 0.763 2.952 9.896
672 H PHE 103 H PHE 103 -2.543 5.736 7.113
673 HA PHE 103 HA PHE 103 -4.557 5.171 7.881
674 HB3 PHE 103 2HB PHE 103 -6.301 4.567 5.987
675 HD1 PHE 103 1HD PHE 103 -4.200 7.418 4.860
676 HD2 PHE 103 2HD PHE 103 -7.397 6.134 7.475
677 HE1 PHE 103 1HE PHE 103 -4.844 9.783 5.313
678 HE2 PHE 103 2HE PHE 103 -8.065 8.506 7.820
679 HZ PHE 103 HZ PHE 103 -6.795 10.325 6.723
680 H LEU 104 H LEU 104 -2.717 2.747 6.732
681 HA LEU 104 HA LEU 104 -4.188 0.375 6.909
682 HB3 LEU 104 2HB LEU 104 -1.956 -0.666 7.299
683 HG LEU 104 HG LEU 104 -1.457 1.826 5.689
684 HD11 LEU 104 1HD1 LEU 104 0.531 0.504 6.508
685 HD12 LEU 104 2HD1 LEU 104 0.430 0.694 4.751
686 HD13 LEU 104 3HD1 LEU 104 -0.040 -0.822 5.503
687 HD21 LEU 104 3HD2 LEU 104 -2.146 0.776 3.705
688 HD22 LEU 104 1HD2 LEU 104 -3.442 0.519 4.816
689 HD23 LEU 104 2HD2 LEU 104 -2.291 -0.819 4.490
690 H THR 105 H THR 105 -3.537 -1.388 8.718
691 HA THR 105 HA THR 105 -3.559 -0.188 11.412
692 HB THR 105 HB THR 105 -5.916 -0.436 10.536
693 HG1 THR 105 1HG THR 105 -5.273 -0.401 12.810
694 HG21 THR 105 3HG2 THR 105 -5.712 -2.628 9.405
695 HG22 THR 105 1HG2 THR 105 -6.991 -2.622 10.633
696 HG23 THR 105 2HG2 THR 105 -5.443 -3.416 10.971
697 H GLU 106 H GLU 106 -2.539 -2.787 9.303
698 HA GLU 106 HA GLU 106 -1.555 -4.509 11.425
699 HB3 GLU 106 2HB GLU 106 0.036 -5.048 9.281
700 HG3 GLU 106 2HG GLU 106 -2.850 -5.758 9.856
701 HA PRO 107 HA PRO 107 2.002 -2.141 12.544
702 HB3 PRO 107 2HB PRO 107 2.322 -3.867 14.104
703 HG3 PRO 107 2HG PRO 107 2.394 -6.179 13.405
704 HD3 PRO 107 2HD PRO 107 0.261 -5.328 12.838
705 H VAL 108 H VAL 108 4.223 -1.547 11.966
706 HA VAL 108 HA VAL 108 4.845 -2.152 9.141
707 HB VAL 108 HB VAL 108 4.909 0.628 10.355
708 HG11 VAL 108 1HG1 VAL 108 4.780 -0.247 7.445
709 HG12 VAL 108 2HG1 VAL 108 5.033 1.396 8.092
710 HG13 VAL 108 3HG1 VAL 108 6.285 0.175 8.272
711 HG21 VAL 108 3HG2 VAL 108 2.603 -0.084 10.466
712 HG22 VAL 108 1HG2 VAL 108 2.858 1.157 9.252
713 HG23 VAL 108 2HG2 VAL 108 2.653 -0.549 8.740
714 H GLU 109 H GLU 109 6.851 -2.804 8.894
715 HA GLU 109 HA GLU 109 9.020 -2.473 10.799
716 HB3 GLU 109 2HB GLU 109 9.782 -3.624 8.272
717 HG3 GLU 109 2HG GLU 109 9.657 -5.739 9.549
718 H SER 110 H SER 110 11.164 -2.150 9.250
719 HA SER 110 HA SER 110 10.897 0.364 7.674
720 HB3 SER 110 2HB SER 110 13.564 0.156 8.403
721 HG SER 110 HG SER 110 11.446 1.542 9.713
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -11.359 -18.192 14.255
2 HA2 GLY 1 1HA GLY 1 -13.475 -17.042 13.888
3 HA3 GLY 1 2HA GLY 1 -12.170 -15.864 14.163
4 H MET 2 H MET 2 -12.667 -14.149 12.799
5 HA MET 2 HA MET 2 -14.094 -14.531 10.356
6 HB3 MET 2 2HB MET 2 -13.703 -12.180 9.925
7 HG3 MET 2 2HG MET 2 -14.008 -12.502 12.928
8 HE1 MET 2 3HE MET 2 -16.969 -11.409 12.809
9 HE2 MET 2 1HE MET 2 -15.896 -10.880 14.126
10 HE3 MET 2 2HE MET 2 -16.809 -9.684 13.175
11 H LEU 3 H LEU 3 -13.381 -13.923 8.184
12 HA LEU 3 HA LEU 3 -10.494 -14.227 7.618
13 HB3 LEU 3 2HB LEU 3 -12.527 -15.688 5.930
14 HG LEU 3 HG LEU 3 -10.815 -17.242 5.473
15 HD11 LEU 3 1HD1 LEU 3 -9.345 -14.593 5.365
16 HD12 LEU 3 2HD1 LEU 3 -10.597 -15.096 4.204
17 HD13 LEU 3 3HD1 LEU 3 -9.092 -16.016 4.363
18 HD21 LEU 3 3HD2 LEU 3 -8.593 -17.225 6.524
19 HD22 LEU 3 1HD2 LEU 3 -9.884 -17.466 7.710
20 HD23 LEU 3 2HD2 LEU 3 -9.076 -15.883 7.573
21 H LEU 4 H LEU 4 -10.238 -12.143 7.006
22 HA LEU 4 HA LEU 4 -12.052 -10.780 5.100
23 HB3 LEU 4 2HB LEU 4 -10.108 -9.053 5.316
24 HG LEU 4 HG LEU 4 -10.615 -8.379 7.710
25 HD11 LEU 4 1HD1 LEU 4 -12.991 -8.595 5.851
26 HD12 LEU 4 2HD1 LEU 4 -11.673 -7.395 5.725
27 HD13 LEU 4 3HD1 LEU 4 -12.725 -7.391 7.138
28 HD21 LEU 4 3HD2 LEU 4 -12.596 -9.237 8.817
29 HD22 LEU 4 1HD2 LEU 4 -11.443 -10.563 8.588
30 HD23 LEU 4 2HD2 LEU 4 -12.868 -10.421 7.533
31 H SER 5 H SER 5 -10.905 -9.821 3.086
32 HA SER 5 HA SER 5 -8.846 -11.697 2.005
33 HB3 SER 5 2HB SER 5 -10.041 -11.928 0.108
34 HG SER 5 HG SER 5 -12.363 -11.389 0.328
35 H THR 6 H THR 6 -7.592 -10.582 0.066
36 HA THR 6 HA THR 6 -6.337 -8.276 0.935
37 HB THR 6 HB THR 6 -6.676 -9.019 -1.983
38 HG1 THR 6 1HG THR 6 -4.535 -10.118 -1.288
39 HG21 THR 6 3HG2 THR 6 -4.132 -8.061 -0.681
40 HG22 THR 6 1HG2 THR 6 -5.353 -6.874 -1.110
41 HG23 THR 6 2HG2 THR 6 -4.690 -7.896 -2.381
42 H ASP 7 H ASP 7 -8.809 -8.578 -1.578
43 HA ASP 7 HA ASP 7 -9.330 -5.986 -2.315
44 HB3 ASP 7 2HB ASP 7 -10.763 -8.581 -2.262
45 H ILE 8 H ILE 8 -10.504 -7.612 0.621
46 HA ILE 8 HA ILE 8 -12.693 -5.786 1.053
47 HB ILE 8 HB ILE 8 -11.405 -7.717 3.000
48 HG13 ILE 8 2HG1 ILE 8 -13.202 -9.225 2.430
49 HG21 ILE 8 1HG2 ILE 8 -14.047 -6.162 2.950
50 HG22 ILE 8 2HG2 ILE 8 -13.751 -7.521 4.033
51 HG23 ILE 8 3HG2 ILE 8 -12.767 -6.060 4.169
52 HD11 ILE 8 3HD1 ILE 8 -14.940 -7.801 1.455
53 HD12 ILE 8 1HD1 ILE 8 -13.856 -7.387 0.100
54 HD13 ILE 8 2HD1 ILE 8 -14.410 -9.042 0.307
55 H TRP 9 H TRP 9 -9.308 -6.057 2.266
56 HA TRP 9 HA TRP 9 -9.616 -3.875 4.133
57 HB3 TRP 9 2HB TRP 9 -7.188 -3.904 4.221
58 HD1 TRP 9 HD TRP 9 -9.248 -5.285 6.095
59 HE1 TRP 9 1HE TRP 9 -8.808 -7.573 7.172
60 HE3 TRP 9 3HE TRP 9 -6.012 -7.089 2.670
61 HZ2 TRP 9 2HZ TRP 9 -7.209 -9.966 6.548
62 HZ3 TRP 9 3HZ TRP 9 -5.133 -9.440 2.819
63 HH2 TRP 9 HH TRP 9 -5.776 -10.871 4.773
64 H VAL 10 H VAL 10 -8.306 -4.144 0.779
65 HA VAL 10 HA VAL 10 -7.512 -1.452 0.455
66 HB VAL 10 HB VAL 10 -8.708 -3.418 -1.552
67 HG11 VAL 10 1HG1 VAL 10 -7.792 -1.977 -3.331
68 HG12 VAL 10 2HG1 VAL 10 -9.061 -1.145 -2.446
69 HG13 VAL 10 3HG1 VAL 10 -7.359 -0.742 -2.128
70 HG21 VAL 10 3HG2 VAL 10 -5.856 -2.527 -0.940
71 HG22 VAL 10 1HG2 VAL 10 -6.550 -4.134 -0.681
72 HG23 VAL 10 2HG2 VAL 10 -6.311 -3.527 -2.321
73 H ALA 11 H ALA 11 -10.764 -2.974 0.032
74 HA ALA 11 HA ALA 11 -12.036 -0.635 -0.723
75 HB1 ALA 11 1HB ALA 11 -13.072 -2.856 -0.894
76 HB2 ALA 11 2HB ALA 11 -13.232 -2.931 0.881
77 HB3 ALA 11 3HB ALA 11 -14.138 -1.716 -0.042
78 H ALA 12 H ALA 12 -11.676 -1.884 2.645
79 HA ALA 12 HA ALA 12 -13.100 0.304 3.898
80 HB1 ALA 12 1HB ALA 12 -12.747 -1.772 5.164
81 HB2 ALA 12 2HB ALA 12 -10.987 -1.682 4.920
82 HB3 ALA 12 3HB ALA 12 -11.806 -0.508 5.955
83 H LEU 13 H LEU 13 -9.593 -0.233 3.637
84 HA LEU 13 HA LEU 13 -8.642 2.081 4.666
85 HB3 LEU 13 2HB LEU 13 -7.685 0.301 2.420
86 HG LEU 13 HG LEU 13 -6.765 2.723 2.098
87 HD11 LEU 13 1HD1 LEU 13 -5.083 3.454 3.709
88 HD12 LEU 13 2HD1 LEU 13 -5.428 2.048 4.747
89 HD13 LEU 13 3HD1 LEU 13 -6.656 3.316 4.504
90 HD21 LEU 13 3HD2 LEU 13 -5.644 0.924 1.147
91 HD22 LEU 13 1HD2 LEU 13 -4.973 0.394 2.718
92 HD23 LEU 13 2HD2 LEU 13 -4.409 1.911 1.965
93 H ILE 14 H ILE 14 -9.537 1.645 1.167
94 HA ILE 14 HA ILE 14 -9.033 4.379 0.511
95 HB ILE 14 HB ILE 14 -10.672 2.133 -0.689
96 HG13 ILE 14 2HG1 ILE 14 -8.886 2.098 -2.408
97 HG21 ILE 14 1HG2 ILE 14 -11.792 4.020 -1.595
98 HG22 ILE 14 2HG2 ILE 14 -10.283 4.920 -1.854
99 HG23 ILE 14 3HG2 ILE 14 -10.666 3.507 -2.861
100 HD11 ILE 14 3HD1 ILE 14 -6.841 3.304 -2.220
101 HD12 ILE 14 1HD1 ILE 14 -8.086 4.551 -1.912
102 HD13 ILE 14 2HD1 ILE 14 -7.188 3.827 -0.556
103 H ARG 15 H ARG 15 -12.031 2.719 1.450
104 HA ARG 15 HA ARG 15 -13.625 5.136 1.411
105 HB3 ARG 15 2HB ARG 15 -15.405 3.724 2.396
106 HG3 ARG 15 2HG ARG 15 -14.142 2.092 0.185
107 HD3 ARG 15 2HD ARG 15 -16.749 2.244 1.247
108 HE ARG 15 HE ARG 15 -16.472 3.684 -1.350
109 HH11 ARG 15 1HH1 ARG 15 -18.656 2.710 1.293
110 HH12 ARG 15 2HH1 ARG 15 -19.828 3.933 0.988
111 HH21 ARG 15 1HH2 ARG 15 -17.894 5.499 -1.593
112 HH22 ARG 15 2HH2 ARG 15 -19.457 5.447 -0.821
113 H ARG 16 H ARG 16 -11.349 4.260 3.713
114 HA ARG 16 HA ARG 16 -12.616 6.426 5.395
115 HB3 ARG 16 2HB ARG 16 -12.356 4.603 6.789
116 HG3 ARG 16 2HG ARG 16 -9.378 4.210 6.510
117 HD3 ARG 16 2HD ARG 16 -10.415 2.719 8.092
118 HE ARG 16 HE ARG 16 -12.516 2.419 6.039
119 HH11 ARG 16 1HH1 ARG 16 -11.276 1.212 9.193
120 HH12 ARG 16 2HH1 ARG 16 -12.721 0.292 9.480
121 HH21 ARG 16 1HH2 ARG 16 -14.442 1.433 6.648
122 HH22 ARG 16 2HH2 ARG 16 -14.533 0.423 8.083
123 H ALA 17 H ALA 17 -9.720 5.635 3.687
124 HA ALA 17 HA ALA 17 -7.983 7.632 4.694
125 HB1 ALA 17 1HB ALA 17 -6.695 7.304 2.584
126 HB2 ALA 17 2HB ALA 17 -7.123 5.762 3.357
127 HB3 ALA 17 3HB ALA 17 -8.024 6.326 1.919
128 H GLU 18 H GLU 18 -9.684 7.771 1.453
129 HA GLU 18 HA GLU 18 -8.936 10.453 1.132
130 HB3 GLU 18 2HB GLU 18 -9.332 9.439 -0.762
131 HG3 GLU 18 2HG GLU 18 -11.705 8.437 0.489
132 H LEU 19 H LEU 19 -11.820 8.948 2.305
133 HA LEU 19 HA LEU 19 -13.546 11.055 2.835
134 HB3 LEU 19 2HB LEU 19 -13.084 8.534 4.461
135 HG LEU 19 HG LEU 19 -15.018 9.947 5.250
136 HD11 LEU 19 1HD1 LEU 19 -15.710 10.991 3.114
137 HD12 LEU 19 2HD1 LEU 19 -17.030 10.012 3.740
138 HD13 LEU 19 3HD1 LEU 19 -16.025 9.391 2.406
139 HD21 LEU 19 3HD2 LEU 19 -14.909 7.487 5.411
140 HD22 LEU 19 1HD2 LEU 19 -15.612 7.343 3.800
141 HD23 LEU 19 2HD2 LEU 19 -16.577 8.022 5.155
142 H GLY 20 H GLY 20 -10.561 10.267 4.472
143 HA2 GLY 20 1HA GLY 20 -11.236 11.679 6.957
144 HA3 GLY 20 2HA GLY 20 -9.699 10.902 6.507
145 H GLY 21 H GLY 21 -10.322 12.614 3.843
146 HA2 GLY 21 1HA GLY 21 -10.169 15.009 3.424
147 HA3 GLY 21 2HA GLY 21 -9.053 15.146 4.781
148 H ALA 22 H ALA 22 -8.657 12.357 2.695
149 HA ALA 22 HA ALA 22 -6.205 13.573 1.486
150 HB1 ALA 22 1HB ALA 22 -5.935 11.645 3.130
151 HB2 ALA 22 2HB ALA 22 -6.788 10.616 1.971
152 HB3 ALA 22 3HB ALA 22 -5.239 11.372 1.523
153 H PHE 23 H PHE 23 -5.796 11.742 -0.588
154 HA PHE 23 HA PHE 23 -8.398 11.001 -1.725
155 HB3 PHE 23 2HB PHE 23 -6.161 12.036 -3.528
156 HD1 PHE 23 1HD PHE 23 -9.959 11.956 -3.114
157 HD2 PHE 23 2HD PHE 23 -6.564 11.618 -5.775
158 HE1 PHE 23 1HE PHE 23 -11.478 11.534 -5.024
159 HE2 PHE 23 2HE PHE 23 -8.091 11.209 -7.662
160 HZ PHE 23 HZ PHE 23 -10.566 11.204 -7.306
161 H ALA 24 H ALA 24 -8.266 8.848 -2.443
162 HA ALA 24 HA ALA 24 -5.642 7.622 -2.800
163 HB1 ALA 24 1HB ALA 24 -6.102 5.933 -1.067
164 HB2 ALA 24 2HB ALA 24 -6.089 7.546 -0.326
165 HB3 ALA 24 3HB ALA 24 -7.639 6.730 -0.648
166 H THR 25 H THR 25 -5.859 5.514 -3.846
167 HA THR 25 HA THR 25 -8.447 4.504 -4.548
168 HB THR 25 HB THR 25 -8.258 6.581 -5.984
169 HG1 THR 25 1HG THR 25 -9.023 5.494 -7.797
170 HG21 THR 25 3HG2 THR 25 -6.909 6.485 -7.978
171 HG22 THR 25 1HG2 THR 25 -6.279 4.878 -7.545
172 HG23 THR 25 2HG2 THR 25 -5.861 6.309 -6.561
173 H VAL 26 H VAL 26 -8.011 2.920 -6.574
174 HA VAL 26 HA VAL 26 -5.584 1.348 -5.874
175 HB VAL 26 HB VAL 26 -7.798 0.524 -5.009
176 HG11 VAL 26 1HG1 VAL 26 -9.137 0.900 -7.122
177 HG12 VAL 26 2HG1 VAL 26 -8.286 -0.490 -7.828
178 HG13 VAL 26 3HG1 VAL 26 -9.289 -0.711 -6.389
179 HG21 VAL 26 3HG2 VAL 26 -7.232 -1.856 -5.708
180 HG22 VAL 26 1HG2 VAL 26 -5.898 -1.143 -6.635
181 HG23 VAL 26 2HG2 VAL 26 -5.973 -0.908 -4.893
182 H ALA 27 H ALA 27 -4.144 1.390 -7.445
183 HA ALA 27 HA ALA 27 -4.912 2.149 -10.185
184 HB1 ALA 27 1HB ALA 27 -3.011 3.148 -8.745
185 HB2 ALA 27 2HB ALA 27 -2.117 1.671 -9.138
186 HB3 ALA 27 3HB ALA 27 -2.655 2.733 -10.440
187 H ARG 28 H ARG 28 -4.810 -0.775 -8.644
188 HA ARG 28 HA ARG 28 -4.329 -2.221 -11.122
189 HB3 ARG 28 2HB ARG 28 -3.186 -3.647 -8.811
190 HG3 ARG 28 2HG ARG 28 -2.840 -4.449 -11.172
191 HD3 ARG 28 2HD ARG 28 -0.647 -3.264 -12.126
192 HE ARG 28 HE ARG 28 -2.920 -1.553 -12.716
193 HH11 ARG 28 1HH1 ARG 28 -1.380 -4.746 -13.356
194 HH12 ARG 28 2HH1 ARG 28 -2.472 -5.143 -14.625
195 HH21 ARG 28 1HH2 ARG 28 -4.220 -2.070 -14.592
196 HH22 ARG 28 2HH2 ARG 28 -3.746 -3.418 -15.579
197 H LYS 29 H LYS 29 -5.057 -4.538 -10.743
198 HA LYS 29 HA LYS 29 -6.798 -4.957 -8.427
199 HB3 LYS 29 2HB LYS 29 -7.679 -5.116 -11.336
200 HG3 LYS 29 2HG LYS 29 -9.157 -6.102 -8.861
201 HD3 LYS 29 2HD LYS 29 -10.595 -6.892 -11.037
202 HE3 LYS 29 2HE LYS 29 -12.072 -4.916 -10.824
203 HZ1 LYS 29 3HZ LYS 29 -12.027 -6.711 -9.039
204 HZ2 LYS 29 1HZ LYS 29 -12.670 -5.243 -8.619
205 HZ3 LYS 29 2HZ LYS 29 -11.191 -5.587 -8.111
206 H GLY 30 H GLY 30 -5.897 -6.785 -7.663
207 HA2 GLY 30 1HA GLY 30 -4.690 -8.769 -9.522
208 HA3 GLY 30 2HA GLY 30 -4.151 -8.423 -7.864
209 H ASP 31 H ASP 31 -4.551 -10.686 -7.451
210 HA ASP 31 HA ASP 31 -7.176 -11.837 -7.634
211 HB3 ASP 31 2HB ASP 31 -4.886 -12.683 -5.828
212 H ALA 32 H ALA 32 -8.929 -11.656 -6.231
213 HA ALA 32 HA ALA 32 -8.714 -9.655 -4.136
214 HB1 ALA 32 1HB ALA 32 -11.176 -9.910 -4.087
215 HB2 ALA 32 2HB ALA 32 -10.589 -9.621 -5.734
216 HB3 ALA 32 3HB ALA 32 -11.071 -11.257 -5.218
217 H ARG 33 H ARG 33 -8.343 -13.082 -4.128
218 HA ARG 33 HA ARG 33 -9.179 -13.245 -1.256
219 HB3 ARG 33 2HB ARG 33 -8.212 -15.585 -1.457
220 HG3 ARG 33 2HG ARG 33 -10.707 -14.922 -1.538
221 HD3 ARG 33 2HD ARG 33 -10.624 -16.253 -4.253
222 HE ARG 33 HE ARG 33 -12.848 -15.927 -3.897
223 HH11 ARG 33 1HH1 ARG 33 -11.181 -13.062 -2.719
224 HH12 ARG 33 2HH1 ARG 33 -12.615 -12.073 -2.579
225 HH21 ARG 33 1HH2 ARG 33 -14.753 -14.545 -3.856
226 HH22 ARG 33 2HH2 ARG 33 -14.631 -12.870 -3.450
227 H ALA 34 H ALA 34 -6.301 -13.839 -3.360
228 HA ALA 34 HA ALA 34 -4.537 -13.320 -1.032
229 HB1 ALA 34 1HB ALA 34 -3.537 -15.546 -1.347
230 HB2 ALA 34 2HB ALA 34 -5.259 -15.695 -0.957
231 HB3 ALA 34 3HB ALA 34 -4.701 -15.912 -2.639
232 H GLY 35 H GLY 35 -4.950 -11.698 -3.397
233 HA2 GLY 35 1HA GLY 35 -2.376 -11.945 -4.806
234 HA3 GLY 35 2HA GLY 35 -3.633 -10.684 -4.949
235 H ALA 36 H ALA 36 -0.637 -10.634 -4.320
236 HA ALA 36 HA ALA 36 -0.383 -9.386 -1.690
237 HB1 ALA 36 1HB ALA 36 1.411 -9.444 -4.178
238 HB2 ALA 36 2HB ALA 36 1.875 -8.794 -2.584
239 HB3 ALA 36 3HB ALA 36 1.534 -10.528 -2.774
240 H VAL 37 H VAL 37 0.296 -6.960 -1.570
241 HA VAL 37 HA VAL 37 -0.738 -5.218 -3.657
242 HB VAL 37 HB VAL 37 -2.493 -5.151 -2.146
243 HG11 VAL 37 1HG1 VAL 37 -2.225 -7.009 -1.274
244 HG12 VAL 37 2HG1 VAL 37 -1.131 -6.350 0.027
245 HG13 VAL 37 3HG1 VAL 37 -2.872 -5.843 -0.121
246 HG21 VAL 37 3HG2 VAL 37 -2.667 -3.334 -0.807
247 HG22 VAL 37 1HG2 VAL 37 -0.895 -3.145 -0.804
248 HG23 VAL 37 2HG2 VAL 37 -1.812 -2.983 -2.306
249 H LEU 38 H LEU 38 0.214 -3.174 -3.652
250 HA LEU 38 HA LEU 38 2.496 -2.652 -1.805
251 HB3 LEU 38 2HB LEU 38 3.211 -1.003 -3.515
252 HG LEU 38 HG LEU 38 2.850 -3.715 -4.851
253 HD11 LEU 38 1HD1 LEU 38 3.576 -1.818 -6.322
254 HD12 LEU 38 2HD1 LEU 38 4.790 -3.073 -6.147
255 HD13 LEU 38 3HD1 LEU 38 4.978 -1.552 -5.239
256 HD21 LEU 38 3HD2 LEU 38 5.051 -4.292 -3.964
257 HD22 LEU 38 1HD2 LEU 38 3.868 -4.065 -2.697
258 HD23 LEU 38 2HD2 LEU 38 5.050 -2.788 -2.971
259 H VAL 39 H VAL 39 2.373 -0.742 -0.711
260 HA VAL 39 HA VAL 39 0.077 1.068 -1.284
261 HB VAL 39 HB VAL 39 1.010 0.404 1.528
262 HG11 VAL 39 1HG1 VAL 39 -1.234 2.198 0.489
263 HG12 VAL 39 2HG1 VAL 39 -0.923 1.825 2.198
264 HG13 VAL 39 3HG1 VAL 39 0.261 2.747 1.266
265 HG21 VAL 39 3HG2 VAL 39 -1.095 -0.679 1.897
266 HG22 VAL 39 1HG2 VAL 39 -1.673 -0.278 0.264
267 HG23 VAL 39 2HG2 VAL 39 -0.352 -1.426 0.507
268 H LYS 40 H LYS 40 1.331 2.379 -2.500
269 HA LYS 40 HA LYS 40 3.844 3.512 -1.359
270 HB3 LYS 40 2HB LYS 40 2.466 3.779 -4.050
271 HG3 LYS 40 2HG LYS 40 5.053 5.074 -3.024
272 HD3 LYS 40 2HD LYS 40 3.791 4.833 -5.750
273 HE3 LYS 40 2HE LYS 40 5.273 7.223 -4.641
274 HZ1 LYS 40 3HZ LYS 40 3.919 7.168 -7.286
275 HZ2 LYS 40 1HZ LYS 40 5.456 6.640 -7.253
276 HZ3 LYS 40 2HZ LYS 40 5.059 8.212 -6.782
277 H ALA 41 H ALA 41 3.679 5.280 -0.121
278 HA ALA 41 HA ALA 41 1.068 6.728 0.073
279 HB1 ALA 41 1HB ALA 41 1.281 5.272 2.013
280 HB2 ALA 41 2HB ALA 41 2.961 5.779 2.278
281 HB3 ALA 41 3HB ALA 41 1.644 6.932 2.528
282 H VAL 42 H VAL 42 1.382 8.807 -0.595
283 HA VAL 42 HA VAL 42 4.160 9.838 -0.589
284 HB VAL 42 HB VAL 42 1.892 10.479 -2.480
285 HG11 VAL 42 1HG1 VAL 42 4.810 11.340 -2.469
286 HG12 VAL 42 2HG1 VAL 42 3.670 11.626 -3.784
287 HG13 VAL 42 3HG1 VAL 42 3.427 12.410 -2.201
288 HG21 VAL 42 3HG2 VAL 42 3.344 9.289 -4.134
289 HG22 VAL 42 1HG2 VAL 42 4.459 8.851 -2.833
290 HG23 VAL 42 2HG2 VAL 42 2.808 8.201 -2.858
291 H ASP 43 H ASP 43 4.612 11.615 0.401
292 HA ASP 43 HA ASP 43 2.569 13.000 2.050
293 HB3 ASP 43 2HB ASP 43 5.616 12.977 2.077
294 H ARG 44 H ARG 44 2.295 15.196 1.713
295 HA ARG 44 HA ARG 44 3.765 16.471 -0.552
296 HB3 ARG 44 2HB ARG 44 1.542 17.676 -1.010
297 HG3 ARG 44 2HG ARG 44 0.591 15.719 -2.278
298 HD3 ARG 44 2HD ARG 44 2.509 15.325 -3.748
299 HE ARG 44 HE ARG 44 1.896 18.070 -2.890
300 HH11 ARG 44 1HH1 ARG 44 3.803 16.217 -5.250
301 HH12 ARG 44 2HH1 ARG 44 3.514 17.298 -6.551
302 HH21 ARG 44 1HH2 ARG 44 1.930 19.698 -4.410
303 HH22 ARG 44 2HH2 ARG 44 2.235 19.323 -6.090
304 H ARG 45 H ARG 45 3.162 16.612 2.802
305 HA ARG 45 HA ARG 45 3.118 19.500 3.006
306 HB3 ARG 45 2HB ARG 45 3.204 17.297 5.150
307 HG3 ARG 45 2HG ARG 45 1.900 19.968 4.844
308 HD3 ARG 45 2HD ARG 45 1.273 17.726 6.561
309 HE ARG 45 HE ARG 45 2.744 19.784 7.972
310 HH11 ARG 45 1HH1 ARG 45 0.850 16.912 8.566
311 HH12 ARG 45 2HH1 ARG 45 0.037 17.503 9.959
312 HH21 ARG 45 1HH2 ARG 45 2.349 20.200 10.164
313 HH22 ARG 45 2HH2 ARG 45 1.315 19.218 11.110
314 H GLU 46 H GLU 46 5.109 16.683 3.944
315 HA GLU 46 HA GLU 46 7.541 18.337 4.245
316 HB3 GLU 46 2HB GLU 46 8.580 16.472 5.218
317 HG3 GLU 46 2HG GLU 46 5.899 15.882 6.391
318 H GLY 47 H GLY 47 5.715 16.347 2.004
319 HA2 GLY 47 1HA GLY 47 6.031 16.390 -0.301
320 HA3 GLY 47 2HA GLY 47 7.542 17.283 -0.074
321 H THR 48 H THR 48 7.071 14.321 1.680
322 HA THR 48 HA THR 48 9.370 13.079 0.302
323 HB THR 48 HB THR 48 9.208 11.579 2.423
324 HG1 THR 48 1HG THR 48 7.930 13.803 3.559
325 HG21 THR 48 3HG2 THR 48 10.955 13.303 2.213
326 HG22 THR 48 1HG2 THR 48 10.323 13.253 3.866
327 HG23 THR 48 2HG2 THR 48 9.813 14.551 2.757
328 H ALA 49 H ALA 49 9.049 10.419 0.465
329 HA ALA 49 HA ALA 49 6.313 9.640 0.084
330 HB1 ALA 49 1HB ALA 49 6.766 8.542 -2.146
331 HB2 ALA 49 2HB ALA 49 6.746 10.309 -2.225
332 HB3 ALA 49 3HB ALA 49 8.284 9.472 -2.240
333 H ARG 50 H ARG 50 6.122 7.357 0.276
334 HA ARG 50 HA ARG 50 8.550 5.806 0.967
335 HB3 ARG 50 2HB ARG 50 8.108 6.496 3.124
336 HG3 ARG 50 2HG ARG 50 5.127 6.396 2.556
337 HD3 ARG 50 2HD ARG 50 6.704 6.569 5.092
338 HE ARG 50 HE ARG 50 4.141 8.051 4.609
339 HH11 ARG 50 1HH1 ARG 50 7.265 7.816 6.324
340 HH12 ARG 50 2HH1 ARG 50 6.910 9.169 7.336
341 HH21 ARG 50 1HH2 ARG 50 3.717 9.862 6.045
342 HH22 ARG 50 2HH2 ARG 50 5.029 10.457 6.954
343 H LEU 51 H LEU 51 8.143 3.475 0.959
344 HA LEU 51 HA LEU 51 5.670 2.795 -0.548
345 HB3 LEU 51 2HB LEU 51 8.243 1.567 -1.518
346 HG LEU 51 HG LEU 51 5.616 2.567 -2.628
347 HD11 LEU 51 1HD1 LEU 51 7.248 3.385 -4.170
348 HD12 LEU 51 2HD1 LEU 51 6.457 1.995 -4.921
349 HD13 LEU 51 3HD1 LEU 51 8.064 1.807 -4.187
350 HD21 LEU 51 3HD2 LEU 51 6.925 -0.114 -3.123
351 HD22 LEU 51 1HD2 LEU 51 5.270 0.432 -3.593
352 HD23 LEU 51 2HD2 LEU 51 5.658 0.167 -1.893
353 H PHE 52 H PHE 52 4.614 1.300 0.369
354 HA PHE 52 HA PHE 52 6.109 -0.546 2.198
355 HB3 PHE 52 2HB PHE 52 3.930 -0.967 3.244
356 HD1 PHE 52 1HD PHE 52 5.993 0.186 4.469
357 HD2 PHE 52 2HD PHE 52 2.613 2.282 2.828
358 HE1 PHE 52 1HE PHE 52 6.458 2.091 5.981
359 HE2 PHE 52 2HE PHE 52 3.042 4.175 4.371
360 HZ PHE 52 HZ PHE 52 4.946 4.062 6.007
361 H SER 53 H SER 53 5.537 -2.794 2.094
362 HA SER 53 HA SER 53 4.103 -3.887 -0.252
363 HB3 SER 53 2HB SER 53 6.397 -5.501 0.536
364 HG SER 53 HG SER 53 5.366 -5.372 -1.528
365 H GLU 54 H GLU 54 3.064 -5.853 0.297
366 HA GLU 54 HA GLU 54 2.627 -6.248 3.148
367 HB3 GLU 54 2HB GLU 54 0.773 -6.426 1.543
368 HG3 GLU 54 2HG GLU 54 2.326 -7.934 -0.091
369 H ALA 55 H ALA 55 3.072 -8.310 4.180
370 HA ALA 55 HA ALA 55 4.907 -10.193 2.972
371 HB1 ALA 55 1HB ALA 55 6.599 -9.862 4.829
372 HB2 ALA 55 2HB ALA 55 6.514 -8.492 3.687
373 HB3 ALA 55 3HB ALA 55 5.719 -8.371 5.279
374 H THR 56 H THR 56 5.409 -11.911 4.706
375 HA THR 56 HA THR 56 3.333 -12.096 6.786
376 HB THR 56 HB THR 56 3.212 -14.608 5.949
377 HG1 THR 56 1HG THR 56 3.632 -13.208 3.478
378 HG21 THR 56 3HG2 THR 56 1.678 -12.296 4.653
379 HG22 THR 56 1HG2 THR 56 1.279 -13.148 6.150
380 HG23 THR 56 2HG2 THR 56 1.197 -14.008 4.606
381 H ARG 57 H ARG 57 3.847 -13.525 8.409
382 HA ARG 57 HA ARG 57 6.572 -14.667 8.633
383 HB3 ARG 57 2HB ARG 57 7.089 -12.920 10.027
384 HG3 ARG 57 2HG ARG 57 4.143 -12.497 10.507
385 HD3 ARG 57 2HD ARG 57 6.584 -11.096 11.646
386 HE ARG 57 HE ARG 57 3.765 -10.049 11.776
387 HH11 ARG 57 1HH1 ARG 57 7.257 -9.262 11.105
388 HH12 ARG 57 2HH1 ARG 57 7.070 -7.626 11.544
389 HH21 ARG 57 1HH2 ARG 57 3.526 -7.875 11.904
390 HH22 ARG 57 2HH2 ARG 57 4.853 -6.755 11.691
391 H GLY 58 H GLY 58 6.657 -16.340 10.256
392 HA2 GLY 58 1HA GLY 58 5.947 -18.150 11.425
393 HA3 GLY 58 2HA GLY 58 5.151 -16.840 12.296
394 H ASP 59 H ASP 59 3.054 -16.391 11.871
395 HA ASP 59 HA ASP 59 1.424 -18.848 11.490
396 HB3 ASP 59 2HB ASP 59 0.232 -16.210 12.225
397 H GLY 60 H GLY 60 2.513 -16.727 9.340
398 HA2 GLY 60 1HA GLY 60 1.798 -15.945 7.242
399 HA3 GLY 60 2HA GLY 60 0.158 -16.613 7.528
400 H GLU 61 H GLU 61 2.100 -14.624 9.904
401 HA GLU 61 HA GLU 61 -0.196 -12.969 10.397
402 HB3 GLU 61 2HB GLU 61 2.393 -12.009 11.434
403 HG3 GLU 61 2HG GLU 61 0.053 -11.436 12.203
404 H ARG 62 H ARG 62 -0.740 -11.472 8.898
405 HA ARG 62 HA ARG 62 1.191 -10.591 6.932
406 HB3 ARG 62 2HB ARG 62 -1.652 -9.716 7.498
407 HG3 ARG 62 2HG ARG 62 0.160 -9.202 5.122
408 HD3 ARG 62 2HD ARG 62 -2.238 -8.218 4.372
409 HE ARG 62 HE ARG 62 -0.800 -9.724 2.999
410 HH11 ARG 62 1HH1 ARG 62 -3.669 -11.260 4.478
411 HH12 ARG 62 2HH1 ARG 62 -4.042 -12.076 2.987
412 HH21 ARG 62 1HH2 ARG 62 -1.202 -11.003 1.275
413 HH22 ARG 62 2HH2 ARG 62 -2.619 -12.033 1.202
414 H PHE 63 H PHE 63 1.876 -8.392 6.564
415 HA PHE 63 HA PHE 63 1.291 -6.300 8.477
416 HB3 PHE 63 2HB PHE 63 3.025 -7.328 9.752
417 HD1 PHE 63 1HD PHE 63 3.704 -9.493 8.366
418 HD2 PHE 63 2HD PHE 63 5.960 -5.747 8.373
419 HE1 PHE 63 1HE PHE 63 5.772 -10.654 7.631
420 HE2 PHE 63 2HE PHE 63 7.980 -7.007 7.888
421 HZ PHE 63 HZ PHE 63 7.896 -9.425 7.462
422 H TRP 64 H TRP 64 2.944 -4.369 7.807
423 HA TRP 64 HA TRP 64 3.214 -4.283 4.854
424 HB3 TRP 64 2HB TRP 64 2.722 -1.868 5.031
425 HD1 TRP 64 HD TRP 64 -0.035 -2.965 7.272
426 HE1 TRP 64 1HE TRP 64 -2.107 -3.694 5.970
427 HE3 TRP 64 3HE TRP 64 2.037 -3.082 2.609
428 HZ2 TRP 64 2HZ TRP 64 -2.777 -4.222 3.176
429 HZ3 TRP 64 3HZ TRP 64 0.711 -3.828 0.677
430 HH2 TRP 64 HH TRP 64 -1.749 -4.340 0.898
431 H MET 65 H MET 65 5.303 -4.632 4.686
432 HA MET 65 HA MET 65 7.241 -3.218 6.450
433 HB3 MET 65 2HB MET 65 7.488 -5.647 6.217
434 HG3 MET 65 2HG MET 65 7.424 -5.083 3.323
435 HE1 MET 65 3HE MET 65 9.396 -7.688 5.620
436 HE2 MET 65 1HE MET 65 11.000 -7.659 4.850
437 HE3 MET 65 2HE MET 65 10.414 -6.233 5.711
438 H GLN 66 H GLN 66 9.263 -2.402 5.157
439 HA GLN 66 HA GLN 66 8.392 -1.326 2.555
440 HB3 GLN 66 2HB GLN 66 8.004 0.553 3.775
441 HG3 GLN 66 2HG GLN 66 10.597 0.078 5.159
442 HE21 GLN 66 1HE2 GLN 66 8.698 2.254 6.799
443 HE22 GLN 66 2HE2 GLN 66 9.538 3.730 6.327
444 HA PRO 67 HA PRO 67 12.354 -3.566 2.215
445 HB3 PRO 67 2HB PRO 67 11.220 -5.315 1.179
446 HG3 PRO 67 2HG PRO 67 9.305 -4.890 -0.207
447 HD3 PRO 67 2HD PRO 67 8.803 -3.972 1.905
448 H VAL 68 H VAL 68 10.797 -1.025 0.382
449 HA VAL 68 HA VAL 68 13.264 -0.305 -1.068
450 HB VAL 68 HB VAL 68 10.753 1.386 -0.658
451 HG11 VAL 68 1HG1 VAL 68 12.661 2.758 -1.291
452 HG12 VAL 68 2HG1 VAL 68 13.169 1.587 -2.523
453 HG13 VAL 68 3HG1 VAL 68 11.695 2.521 -2.752
454 HG21 VAL 68 3HG2 VAL 68 10.145 -0.669 -1.878
455 HG22 VAL 68 1HG2 VAL 68 10.146 0.726 -2.960
456 HG23 VAL 68 2HG2 VAL 68 11.513 -0.405 -2.991
457 H ARG 69 H ARG 69 14.708 -0.371 0.325
458 HA ARG 69 HA ARG 69 15.010 1.308 2.637
459 HB3 ARG 69 2HB ARG 69 16.272 -0.708 2.473
460 HG3 ARG 69 2HG ARG 69 18.414 -0.388 0.783
461 HD3 ARG 69 2HD ARG 69 17.480 -2.082 -0.704
462 HE ARG 69 HE ARG 69 17.992 -2.503 1.868
463 HH11 ARG 69 1HH1 ARG 69 14.964 -3.642 0.334
464 HH12 ARG 69 2HH1 ARG 69 14.968 -5.090 1.304
465 HH21 ARG 69 1HH2 ARG 69 17.575 -4.061 3.333
466 HH22 ARG 69 2HH2 ARG 69 16.339 -5.280 3.076
467 H SER 70 H SER 70 13.996 2.926 0.709
468 HA SER 70 HA SER 70 15.937 5.050 0.582
469 HB3 SER 70 2HB SER 70 15.002 5.158 -2.033
470 HG SER 70 HG SER 70 17.075 4.521 -2.595
471 H THR 71 H THR 71 14.960 6.996 -0.190
472 HA THR 71 HA THR 71 12.026 7.261 0.265
473 HB THR 71 HB THR 71 12.766 9.335 1.563
474 HG1 THR 71 1HG THR 71 14.860 9.632 1.944
475 HG21 THR 71 3HG2 THR 71 13.774 6.645 2.642
476 HG22 THR 71 1HG2 THR 71 12.111 7.280 2.768
477 HG23 THR 71 2HG2 THR 71 13.459 8.105 3.583
478 H PHE 72 H PHE 72 14.354 7.500 -2.043
479 HA PHE 72 HA PHE 72 13.827 10.137 -3.106
480 HB3 PHE 72 2HB PHE 72 15.021 8.215 -4.972
481 HD1 PHE 72 2HD PHE 72 14.740 11.541 -4.295
482 HD2 PHE 72 1HD PHE 72 17.843 8.530 -4.647
483 HE1 PHE 72 2HE PHE 72 16.373 13.271 -4.788
484 HE2 PHE 72 1HE PHE 72 19.484 10.330 -5.166
485 HZ PHE 72 HZ PHE 72 18.759 12.708 -5.189
486 H GLU 73 H GLU 73 12.275 10.618 -4.687
487 HA GLU 73 HA GLU 73 10.121 9.005 -5.178
488 HB3 GLU 73 2HB GLU 73 9.453 10.443 -6.906
489 HG3 GLU 73 2HG GLU 73 11.288 12.164 -5.214
490 HA PRO 74 HA PRO 74 11.732 7.247 -9.269
491 HB3 PRO 74 2HB PRO 74 13.416 8.447 -10.276
492 HG3 PRO 74 2HG PRO 74 15.112 9.499 -8.991
493 HD3 PRO 74 2HD PRO 74 13.052 10.231 -8.109
494 H ASP 75 H ASP 75 13.650 6.646 -6.323
495 HA ASP 75 HA ASP 75 14.327 3.886 -6.879
496 HB3 ASP 75 2HB ASP 75 14.378 3.814 -4.283
497 H LEU 76 H LEU 76 11.805 5.657 -5.225
498 HA LEU 76 HA LEU 76 10.305 3.437 -4.208
499 HB3 LEU 76 2HB LEU 76 8.537 5.227 -3.869
500 HG LEU 76 HG LEU 76 11.378 5.841 -2.943
501 HD11 LEU 76 1HD1 LEU 76 10.401 7.555 -1.477
502 HD12 LEU 76 2HD1 LEU 76 8.808 7.267 -2.217
503 HD13 LEU 76 3HD1 LEU 76 10.131 7.972 -3.172
504 HD21 LEU 76 3HD2 LEU 76 8.930 5.069 -1.340
505 HD22 LEU 76 1HD2 LEU 76 10.590 5.206 -0.765
506 HD23 LEU 76 2HD2 LEU 76 10.163 3.901 -1.877
507 H ASP 77 H ASP 77 9.585 5.759 -6.906
508 HA ASP 77 HA ASP 77 7.251 4.365 -7.630
509 HB3 ASP 77 2HB ASP 77 8.909 6.191 -9.404
510 H ALA 78 H ALA 78 10.569 3.962 -8.823
511 HA ALA 78 HA ALA 78 9.958 2.262 -11.054
512 HB1 ALA 78 1HB ALA 78 12.403 2.349 -9.228
513 HB2 ALA 78 2HB ALA 78 12.307 1.469 -10.768
514 HB3 ALA 78 3HB ALA 78 12.178 3.242 -10.767
515 H TYR 79 H TYR 79 10.294 1.609 -7.524
516 HA TYR 79 HA TYR 79 10.423 -1.238 -7.681
517 HB3 TYR 79 2HB TYR 79 9.000 0.405 -5.570
518 HD1 TYR 79 1HD TYR 79 7.418 -1.286 -5.032
519 HD2 TYR 79 2HD TYR 79 11.638 -2.119 -5.018
520 HE1 TYR 79 1HE TYR 79 7.001 -3.377 -3.783
521 HE2 TYR 79 2HE TYR 79 11.217 -4.211 -3.694
522 HH TYR 79 HH TYR 79 7.896 -5.167 -2.709
523 H ALA 80 H ALA 80 7.666 1.046 -7.664
524 HA ALA 80 HA ALA 80 5.660 -0.987 -7.557
525 HB1 ALA 80 1HB ALA 80 5.271 1.409 -6.979
526 HB2 ALA 80 2HB ALA 80 5.416 1.823 -8.700
527 HB3 ALA 80 3HB ALA 80 4.092 0.775 -8.155
528 H GLU 81 H GLU 81 7.576 0.203 -10.353
529 HA GLU 81 HA GLU 81 5.758 -1.041 -12.263
530 HB3 GLU 81 2HB GLU 81 8.360 0.489 -12.372
531 HG3 GLU 81 2HG GLU 81 7.262 -1.404 -14.489
532 H ARG 82 H ARG 82 8.964 -1.610 -10.773
533 HA ARG 82 HA ARG 82 9.696 -4.000 -12.015
534 HB3 ARG 82 2HB ARG 82 10.174 -3.402 -9.056
535 HG3 ARG 82 2HG ARG 82 11.277 -5.410 -10.474
536 HD3 ARG 82 2HD ARG 82 12.872 -2.919 -11.050
537 HE ARG 82 HE ARG 82 14.469 -4.210 -9.943
538 HH11 ARG 82 1HH1 ARG 82 13.469 -5.757 -13.057
539 HH12 ARG 82 2HH1 ARG 82 14.709 -6.953 -12.922
540 HH21 ARG 82 1HH2 ARG 82 16.090 -5.817 -9.903
541 HH22 ARG 82 2HH2 ARG 82 16.274 -6.891 -11.270
542 H ALA 83 H ALA 83 7.885 -3.621 -9.000
543 HA ALA 83 HA ALA 83 7.550 -6.464 -8.625
544 HB1 ALA 83 1HB ALA 83 6.378 -4.069 -7.180
545 HB2 ALA 83 2HB ALA 83 6.232 -5.749 -6.618
546 HB3 ALA 83 3HB ALA 83 7.824 -4.955 -6.711
547 H ALA 84 H ALA 84 5.701 -4.284 -10.541
548 HA ALA 84 HA ALA 84 3.356 -6.100 -10.475
549 HB1 ALA 84 1HB ALA 84 3.733 -3.345 -11.703
550 HB2 ALA 84 2HB ALA 84 2.220 -4.279 -11.683
551 HB3 ALA 84 3HB ALA 84 2.929 -3.700 -10.158
552 H ARG 85 H ARG 85 6.266 -5.854 -12.105
553 HA ARG 85 HA ARG 85 5.295 -6.082 -14.846
554 HB3 ARG 85 2HB ARG 85 7.926 -6.937 -14.905
555 HG3 ARG 85 2HG ARG 85 6.996 -4.054 -14.723
556 HD3 ARG 85 2HD ARG 85 9.388 -5.409 -16.067
557 HE ARG 85 HE ARG 85 9.281 -2.512 -15.946
558 HH11 ARG 85 1HH1 ARG 85 8.248 -5.259 -17.976
559 HH12 ARG 85 2HH1 ARG 85 7.794 -4.257 -19.299
560 HH21 ARG 85 1HH2 ARG 85 8.787 -1.269 -17.587
561 HH22 ARG 85 2HH2 ARG 85 8.185 -1.812 -19.107
562 H ILE 86 H ILE 86 6.353 -8.437 -12.413
563 HA ILE 86 HA ILE 86 6.127 -10.596 -14.443
564 HB ILE 86 HB ILE 86 7.449 -10.722 -11.722
565 HG13 ILE 86 2HG1 ILE 86 8.589 -9.657 -14.296
566 HG21 ILE 86 1HG2 ILE 86 7.847 -12.461 -14.196
567 HG22 ILE 86 2HG2 ILE 86 8.610 -12.660 -12.609
568 HG23 ILE 86 3HG2 ILE 86 6.885 -12.894 -12.781
569 HD11 ILE 86 3HD1 ILE 86 9.385 -9.222 -11.392
570 HD12 ILE 86 1HD1 ILE 86 9.994 -8.332 -12.805
571 HD13 ILE 86 2HD1 ILE 86 8.324 -8.142 -12.294
572 H ASP 87 H ASP 87 4.778 -9.277 -11.542
573 HA ASP 87 HA ASP 87 3.047 -11.614 -11.050
574 HB3 ASP 87 2HB ASP 87 2.776 -10.628 -8.799
575 HA PRO 88 HA PRO 88 0.357 -8.401 -13.021
576 HB3 PRO 88 2HB PRO 88 -0.038 -9.824 -14.819
577 HG3 PRO 88 2HG PRO 88 -0.044 -12.213 -14.505
578 HD3 PRO 88 2HD PRO 88 2.040 -11.409 -13.740
579 H ASP 89 H ASP 89 -0.188 -10.917 -10.647
580 HA ASP 89 HA ASP 89 -2.965 -10.201 -10.113
581 HB3 ASP 89 2HB ASP 89 -2.874 -12.198 -8.635
582 H ILE 90 H ILE 90 -0.495 -8.500 -9.319
583 HA ILE 90 HA ILE 90 -0.779 -8.338 -6.401
584 HB ILE 90 HB ILE 90 1.398 -8.349 -7.644
585 HG13 ILE 90 2HG1 ILE 90 1.132 -7.540 -5.312
586 HG21 ILE 90 1HG2 ILE 90 0.737 -6.873 -9.540
587 HG22 ILE 90 2HG2 ILE 90 0.672 -5.492 -8.462
588 HG23 ILE 90 3HG2 ILE 90 2.216 -6.327 -8.757
589 HD11 ILE 90 3HD1 ILE 90 3.237 -6.393 -5.053
590 HD12 ILE 90 1HD1 ILE 90 3.412 -7.675 -6.269
591 HD13 ILE 90 2HD1 ILE 90 3.290 -5.973 -6.770
592 H TRP 91 H TRP 91 -1.363 -6.346 -5.374
593 HA TRP 91 HA TRP 91 -3.113 -4.556 -6.994
594 HB3 TRP 91 2HB TRP 91 -3.875 -4.014 -4.580
595 HD1 TRP 91 HD TRP 91 -3.479 -7.856 -5.147
596 HE1 TRP 91 1HE TRP 91 -5.788 -8.897 -5.290
597 HE3 TRP 91 3HE TRP 91 -6.232 -3.649 -4.940
598 HZ2 TRP 91 2HZ TRP 91 -8.517 -7.983 -5.514
599 HZ3 TRP 91 3HZ TRP 91 -8.742 -3.702 -5.156
600 HH2 TRP 91 HH TRP 91 -9.880 -5.891 -5.457
601 H VAL 92 H VAL 92 -2.928 -2.243 -6.735
602 HA VAL 92 HA VAL 92 -0.393 -1.200 -5.599
603 HB VAL 92 HB VAL 92 -1.706 -0.419 -8.228
604 HG11 VAL 92 1HG1 VAL 92 0.187 1.195 -8.465
605 HG12 VAL 92 2HG1 VAL 92 -0.828 1.567 -7.075
606 HG13 VAL 92 3HG1 VAL 92 0.735 0.772 -6.826
607 HG21 VAL 92 3HG2 VAL 92 1.156 -1.383 -7.942
608 HG22 VAL 92 1HG2 VAL 92 -0.178 -2.449 -8.437
609 HG23 VAL 92 2HG2 VAL 92 0.252 -1.049 -9.425
610 H VAL 93 H VAL 93 -1.036 0.210 -4.032
611 HA VAL 93 HA VAL 93 -3.717 1.484 -4.228
612 HB VAL 93 HB VAL 93 -2.205 0.340 -1.844
613 HG11 VAL 93 1HG1 VAL 93 -4.914 1.730 -1.926
614 HG12 VAL 93 2HG1 VAL 93 -4.132 0.980 -0.511
615 HG13 VAL 93 3HG1 VAL 93 -3.409 2.403 -1.258
616 HG21 VAL 93 3HG2 VAL 93 -3.368 -1.388 -3.281
617 HG22 VAL 93 1HG2 VAL 93 -4.015 -1.260 -1.662
618 HG23 VAL 93 2HG2 VAL 93 -4.890 -0.513 -3.003
619 H GLU 94 H GLU 94 -3.562 3.626 -4.349
620 HA GLU 94 HA GLU 94 -0.961 4.895 -3.732
621 HB3 GLU 94 2HB GLU 94 -1.401 6.359 -5.614
622 HG3 GLU 94 2HG GLU 94 -2.093 3.525 -6.536
623 H ILE 95 H ILE 95 -1.008 6.313 -2.089
624 HA ILE 95 HA ILE 95 -3.595 7.590 -1.334
625 HB ILE 95 HB ILE 95 -1.310 7.097 0.596
626 HG13 ILE 95 2HG1 ILE 95 -2.163 5.112 1.490
627 HG21 ILE 95 1HG2 ILE 95 -4.291 7.538 1.017
628 HG22 ILE 95 2HG2 ILE 95 -3.137 7.186 2.305
629 HG23 ILE 95 3HG2 ILE 95 -2.981 8.676 1.353
630 HD11 ILE 95 3HD1 ILE 95 -3.866 3.716 0.549
631 HD12 ILE 95 1HD1 ILE 95 -4.616 5.273 0.891
632 HD13 ILE 95 2HD1 ILE 95 -4.154 4.846 -0.780
633 H GLU 96 H GLU 96 -3.466 9.752 -1.910
634 HA GLU 96 HA GLU 96 -0.850 11.170 -1.759
635 HB3 GLU 96 2HB GLU 96 -2.067 12.981 -3.010
636 HG3 GLU 96 2HG GLU 96 -1.925 10.398 -4.562
637 H ASP 97 H ASP 97 -0.726 11.717 0.395
638 HA ASP 97 HA ASP 97 -3.138 13.007 1.637
639 HB3 ASP 97 2HB ASP 97 -0.834 11.765 3.165
640 H ARG 98 H ARG 98 -2.141 14.530 3.465
641 HA ARG 98 HA ARG 98 -0.159 16.366 2.249
642 HB3 ARG 98 2HB ARG 98 -0.593 17.552 4.527
643 HG3 ARG 98 2HG ARG 98 -2.759 17.219 2.425
644 HD3 ARG 98 2HD ARG 98 -2.509 19.303 4.639
645 HE ARG 98 HE ARG 98 -3.520 20.697 3.187
646 HH11 ARG 98 1HH1 ARG 98 -5.213 17.637 2.767
647 HH12 ARG 98 2HH1 ARG 98 -5.564 17.871 1.073
648 HH21 ARG 98 1HH2 ARG 98 -4.464 21.239 1.086
649 HH22 ARG 98 2HH2 ARG 98 -5.468 20.075 0.294
650 H ASP 99 H ASP 99 -0.688 14.354 5.180
651 HA ASP 99 HA ASP 99 2.040 14.753 6.154
652 HB3 ASP 99 2HB ASP 99 -0.154 13.045 7.391
653 H GLY 100 H GLY 100 1.273 12.879 3.729
654 HA2 GLY 100 1HA GLY 100 1.877 10.801 2.889
655 HA3 GLY 100 2HA GLY 100 3.175 10.831 4.089
656 H ARG 101 H ARG 101 -0.229 10.908 4.851
657 HA ARG 101 HA ARG 101 -0.049 9.009 6.933
658 HB3 ARG 101 2HB ARG 101 -2.760 9.539 5.798
659 HG3 ARG 101 2HG ARG 101 -3.205 10.643 7.914
660 HD3 ARG 101 2HD ARG 101 -2.393 7.905 7.757
661 HE ARG 101 HE ARG 101 -0.717 7.958 9.396
662 HH11 ARG 101 1HH1 ARG 101 -3.479 9.973 10.497
663 HH12 ARG 101 2HH1 ARG 101 -3.007 9.877 12.134
664 HH21 ARG 101 1HH2 ARG 101 -0.040 8.003 11.614
665 HH22 ARG 101 2HH2 ARG 101 -0.872 9.052 12.684
666 H HIS 102 H HIS 102 -0.233 6.725 6.844
667 HA HIS 102 HA HIS 102 -0.703 5.507 4.228
668 HB3 HIS 102 2HB HIS 102 1.050 4.579 5.524
669 HD1 HIS 102 1HD HIS 102 -1.886 3.547 8.010
670 HD2 HIS 102 2HD HIS 102 2.174 4.673 7.783
671 HE1 HIS 102 1HE HIS 102 -1.067 3.717 10.371
672 H PHE 103 H PHE 103 -2.597 6.103 7.115
673 HA PHE 103 HA PHE 103 -4.565 5.540 7.869
674 HB3 PHE 103 2HB PHE 103 -6.354 5.046 5.982
675 HD1 PHE 103 2HD PHE 103 -7.300 6.553 7.684
676 HD2 PHE 103 1HD PHE 103 -4.460 7.906 4.728
677 HE1 PHE 103 2HE PHE 103 -7.989 8.929 8.094
678 HE2 PHE 103 1HE PHE 103 -5.174 10.243 5.138
679 HZ PHE 103 HZ PHE 103 -6.913 10.757 6.820
680 H LEU 104 H LEU 104 -2.958 2.990 6.248
681 HA LEU 104 HA LEU 104 -4.476 0.779 6.499
682 HB3 LEU 104 2HB LEU 104 -2.414 -0.513 6.962
683 HG LEU 104 HG LEU 104 -1.997 1.841 5.094
684 HD11 LEU 104 1HD1 LEU 104 0.201 1.101 5.895
685 HD12 LEU 104 2HD1 LEU 104 -0.046 0.681 4.189
686 HD13 LEU 104 3HD1 LEU 104 -0.198 -0.555 5.440
687 HD21 LEU 104 3HD2 LEU 104 -3.749 0.124 4.532
688 HD22 LEU 104 1HD2 LEU 104 -2.462 -1.101 4.470
689 HD23 LEU 104 2HD2 LEU 104 -2.461 0.280 3.338
690 H THR 105 H THR 105 -5.465 -0.449 8.069
691 HA THR 105 HA THR 105 -5.453 0.459 10.801
692 HB THR 105 HB THR 105 -7.461 -0.445 9.903
693 HG1 THR 105 1HG THR 105 -6.374 -2.259 11.773
694 HG21 THR 105 3HG2 THR 105 -7.773 -2.815 9.298
695 HG22 THR 105 1HG2 THR 105 -6.020 -3.072 9.407
696 HG23 THR 105 2HG2 THR 105 -6.702 -1.972 8.186
697 H GLU 106 H GLU 106 -3.273 -1.541 9.100
698 HA GLU 106 HA GLU 106 -2.690 -3.438 11.222
699 HB3 GLU 106 2HB GLU 106 -1.045 -4.107 9.176
700 HG3 GLU 106 2HG GLU 106 -4.008 -4.466 9.598
701 HA PRO 107 HA PRO 107 1.215 -1.660 12.577
702 HB3 PRO 107 2HB PRO 107 1.832 -3.586 13.677
703 HG3 PRO 107 2HG PRO 107 1.223 -5.727 12.839
704 HD3 PRO 107 2HD PRO 107 -0.789 -4.467 12.889
705 H VAL 108 H VAL 108 3.349 -1.068 11.717
706 HA VAL 108 HA VAL 108 3.779 -1.533 8.875
707 HB VAL 108 HB VAL 108 3.528 1.270 10.026
708 HG11 VAL 108 1HG1 VAL 108 3.905 1.945 7.639
709 HG12 VAL 108 2HG1 VAL 108 5.310 1.115 8.353
710 HG13 VAL 108 3HG1 VAL 108 4.226 0.251 7.241
711 HG21 VAL 108 3HG2 VAL 108 1.768 -0.145 7.970
712 HG22 VAL 108 1HG2 VAL 108 1.266 0.350 9.593
713 HG23 VAL 108 2HG2 VAL 108 1.675 1.575 8.396
714 H GLU 109 H GLU 109 5.735 -2.203 8.812
715 HA GLU 109 HA GLU 109 7.693 -2.027 10.907
716 HB3 GLU 109 2HB GLU 109 8.758 -2.889 8.342
717 HG3 GLU 109 2HG GLU 109 7.541 -5.025 9.968
718 H SER 110 H SER 110 10.066 -1.674 9.798
719 HA SER 110 HA SER 110 10.341 0.710 8.168
720 HB3 SER 110 2HB SER 110 12.588 0.781 9.805
721 HG SER 110 HG SER 110 10.150 2.232 10.039
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.724 -17.736 14.617
2 HA2 GLY 1 1HA GLY 1 -12.595 -16.232 15.015
3 HA3 GLY 1 2HA GLY 1 -11.079 -15.317 14.898
4 H MET 2 H MET 2 -10.520 -14.575 12.543
5 HA MET 2 HA MET 2 -13.041 -13.590 11.275
6 HB3 MET 2 2HB MET 2 -11.875 -11.442 11.050
7 HG3 MET 2 2HG MET 2 -11.813 -12.375 13.938
8 HE1 MET 2 3HE MET 2 -12.847 -10.653 15.797
9 HE2 MET 2 1HE MET 2 -13.236 -8.962 15.415
10 HE3 MET 2 2HE MET 2 -14.185 -10.278 14.685
11 H LEU 3 H LEU 3 -12.566 -12.647 8.985
12 HA LEU 3 HA LEU 3 -10.459 -14.097 7.578
13 HB3 LEU 3 2HB LEU 3 -13.223 -14.659 6.561
14 HG LEU 3 HG LEU 3 -12.314 -16.785 5.970
15 HD11 LEU 3 1HD1 LEU 3 -10.093 -14.807 5.316
16 HD12 LEU 3 2HD1 LEU 3 -11.642 -14.921 4.456
17 HD13 LEU 3 3HD1 LEU 3 -10.514 -16.292 4.449
18 HD21 LEU 3 3HD2 LEU 3 -11.009 -17.058 8.124
19 HD22 LEU 3 1HD2 LEU 3 -9.696 -16.113 7.367
20 HD23 LEU 3 2HD2 LEU 3 -10.219 -17.648 6.664
21 H LEU 4 H LEU 4 -9.873 -11.948 7.289
22 HA LEU 4 HA LEU 4 -11.407 -10.153 5.541
23 HB3 LEU 4 2HB LEU 4 -9.237 -8.853 5.546
24 HG LEU 4 HG LEU 4 -10.795 -9.576 7.986
25 HD11 LEU 4 1HD1 LEU 4 -9.284 -8.348 9.535
26 HD12 LEU 4 2HD1 LEU 4 -8.007 -8.445 8.314
27 HD13 LEU 4 3HD1 LEU 4 -8.680 -9.923 9.002
28 HD21 LEU 4 3HD2 LEU 4 -9.858 -6.926 6.845
29 HD22 LEU 4 1HD2 LEU 4 -10.923 -7.131 8.245
30 HD23 LEU 4 2HD2 LEU 4 -11.450 -7.690 6.657
31 H SER 5 H SER 5 -10.052 -9.371 3.422
32 HA SER 5 HA SER 5 -8.353 -11.440 2.298
33 HB3 SER 5 2HB SER 5 -9.525 -11.847 0.333
34 HG SER 5 HG SER 5 -10.797 -12.372 2.434
35 H THR 6 H THR 6 -7.477 -10.402 -0.018
36 HA THR 6 HA THR 6 -6.288 -8.008 0.719
37 HB THR 6 HB THR 6 -6.501 -9.354 -1.970
38 HG1 THR 6 1HG THR 6 -4.280 -9.793 -1.320
39 HG21 THR 6 3HG2 THR 6 -4.472 -7.285 -1.018
40 HG22 THR 6 1HG2 THR 6 -5.880 -6.778 -1.954
41 HG23 THR 6 2HG2 THR 6 -4.727 -7.888 -2.686
42 H ASP 7 H ASP 7 -9.034 -8.544 -1.528
43 HA ASP 7 HA ASP 7 -9.630 -5.973 -2.219
44 HB3 ASP 7 2HB ASP 7 -11.409 -8.361 -1.754
45 H ILE 8 H ILE 8 -10.444 -7.598 0.795
46 HA ILE 8 HA ILE 8 -12.514 -5.842 1.671
47 HB ILE 8 HB ILE 8 -10.764 -7.682 3.330
48 HG13 ILE 8 2HG1 ILE 8 -12.580 -9.284 3.128
49 HG21 ILE 8 1HG2 ILE 8 -12.888 -7.648 4.794
50 HG22 ILE 8 2HG2 ILE 8 -11.851 -6.203 4.809
51 HG23 ILE 8 3HG2 ILE 8 -13.352 -6.200 3.859
52 HD11 ILE 8 3HD1 ILE 8 -14.445 -7.775 2.384
53 HD12 ILE 8 1HD1 ILE 8 -13.644 -7.668 0.797
54 HD13 ILE 8 2HD1 ILE 8 -14.226 -9.234 1.398
55 H TRP 9 H TRP 9 -8.978 -6.000 2.363
56 HA TRP 9 HA TRP 9 -9.089 -3.843 4.269
57 HB3 TRP 9 2HB TRP 9 -6.642 -3.721 3.938
58 HD1 TRP 9 HD TRP 9 -8.179 -5.106 6.231
59 HE1 TRP 9 1HE TRP 9 -7.318 -7.229 7.274
60 HE3 TRP 9 3HE TRP 9 -5.672 -6.898 2.270
61 HZ2 TRP 9 2HZ TRP 9 -6.021 -9.705 6.345
62 HZ3 TRP 9 3HZ TRP 9 -4.728 -9.250 2.251
63 HH2 TRP 9 HH TRP 9 -4.944 -10.656 4.319
64 H VAL 10 H VAL 10 -8.291 -4.004 0.756
65 HA VAL 10 HA VAL 10 -7.756 -1.268 0.340
66 HB VAL 10 HB VAL 10 -9.203 -3.239 -1.499
67 HG11 VAL 10 1HG1 VAL 10 -7.865 -0.539 -2.041
68 HG12 VAL 10 2HG1 VAL 10 -8.283 -1.707 -3.300
69 HG13 VAL 10 3HG1 VAL 10 -9.564 -0.967 -2.338
70 HG21 VAL 10 3HG2 VAL 10 -7.010 -3.573 -2.515
71 HG22 VAL 10 1HG2 VAL 10 -6.305 -2.425 -1.342
72 HG23 VAL 10 2HG2 VAL 10 -6.925 -3.980 -0.798
73 H ALA 11 H ALA 11 -10.889 -3.017 0.358
74 HA ALA 11 HA ALA 11 -12.417 -0.772 -0.242
75 HB1 ALA 11 1HB ALA 11 -13.158 -3.380 1.226
76 HB2 ALA 11 2HB ALA 11 -14.322 -2.281 0.473
77 HB3 ALA 11 3HB ALA 11 -13.146 -3.137 -0.539
78 H ALA 12 H ALA 12 -10.875 -1.345 2.725
79 HA ALA 12 HA ALA 12 -12.752 0.434 4.241
80 HB1 ALA 12 1HB ALA 12 -12.073 -1.348 5.667
81 HB2 ALA 12 2HB ALA 12 -10.387 -1.290 5.095
82 HB3 ALA 12 3HB ALA 12 -11.041 0.001 6.109
83 H LEU 13 H LEU 13 -9.325 -0.012 3.526
84 HA LEU 13 HA LEU 13 -8.188 2.353 4.284
85 HB3 LEU 13 2HB LEU 13 -7.598 0.366 2.071
86 HG LEU 13 HG LEU 13 -6.654 2.590 1.307
87 HD11 LEU 13 1HD1 LEU 13 -4.760 3.534 2.571
88 HD12 LEU 13 2HD1 LEU 13 -5.005 2.343 3.868
89 HD13 LEU 13 3HD1 LEU 13 -6.235 3.589 3.537
90 HD21 LEU 13 3HD2 LEU 13 -4.719 0.403 2.137
91 HD22 LEU 13 1HD2 LEU 13 -4.360 1.703 0.982
92 HD23 LEU 13 2HD2 LEU 13 -5.638 0.526 0.630
93 H ILE 14 H ILE 14 -9.487 1.716 0.962
94 HA ILE 14 HA ILE 14 -8.854 4.271 -0.051
95 HB ILE 14 HB ILE 14 -10.848 2.109 -0.789
96 HG13 ILE 14 2HG1 ILE 14 -9.352 1.584 -2.537
97 HG21 ILE 14 1HG2 ILE 14 -11.978 4.030 -1.700
98 HG22 ILE 14 2HG2 ILE 14 -10.459 4.772 -2.242
99 HG23 ILE 14 3HG2 ILE 14 -11.076 3.320 -3.054
100 HD11 ILE 14 3HD1 ILE 14 -8.643 3.882 -3.270
101 HD12 ILE 14 1HD1 ILE 14 -7.694 4.065 -1.790
102 HD13 ILE 14 2HD1 ILE 14 -7.259 2.825 -2.994
103 H ARG 15 H ARG 15 -11.944 3.084 1.252
104 HA ARG 15 HA ARG 15 -13.300 5.602 1.047
105 HB3 ARG 15 2HB ARG 15 -14.740 4.794 2.936
106 HG3 ARG 15 2HG ARG 15 -14.400 2.536 0.934
107 HD3 ARG 15 2HD ARG 15 -16.774 3.890 2.294
108 HE ARG 15 HE ARG 15 -16.664 1.946 0.158
109 HH11 ARG 15 1HH1 ARG 15 -18.678 3.106 2.840
110 HH12 ARG 15 2HH1 ARG 15 -20.036 2.115 2.418
111 HH21 ARG 15 1HH2 ARG 15 -18.363 0.732 -0.412
112 HH22 ARG 15 2HH2 ARG 15 -19.909 0.765 0.381
113 H ARG 16 H ARG 16 -11.326 4.233 3.695
114 HA ARG 16 HA ARG 16 -11.857 6.313 5.571
115 HB3 ARG 16 2HB ARG 16 -9.643 5.440 6.591
116 HG3 ARG 16 2HG ARG 16 -12.052 3.690 5.962
117 HD3 ARG 16 2HD ARG 16 -9.703 3.010 7.764
118 HE ARG 16 HE ARG 16 -12.125 1.333 7.482
119 HH11 ARG 16 1HH1 ARG 16 -10.538 3.794 9.515
120 HH12 ARG 16 2HH1 ARG 16 -11.265 3.276 10.982
121 HH21 ARG 16 1HH2 ARG 16 -13.250 0.751 9.379
122 HH22 ARG 16 2HH2 ARG 16 -13.069 1.632 10.845
123 H ALA 17 H ALA 17 -9.272 5.998 3.089
124 HA ALA 17 HA ALA 17 -7.896 8.402 3.821
125 HB1 ALA 17 1HB ALA 17 -8.105 6.841 1.213
126 HB2 ALA 17 2HB ALA 17 -6.870 8.068 1.596
127 HB3 ALA 17 3HB ALA 17 -6.910 6.544 2.501
128 H GLU 18 H GLU 18 -10.280 7.614 1.237
129 HA GLU 18 HA GLU 18 -10.406 10.179 0.155
130 HB3 GLU 18 2HB GLU 18 -12.689 9.359 -0.641
131 HG3 GLU 18 2HG GLU 18 -10.233 7.678 -1.363
132 H LEU 19 H LEU 19 -12.462 8.732 2.709
133 HA LEU 19 HA LEU 19 -14.250 10.849 3.259
134 HB3 LEU 19 2HB LEU 19 -13.703 9.835 5.725
135 HG LEU 19 HG LEU 19 -15.839 9.460 5.118
136 HD11 LEU 19 1HD1 LEU 19 -15.015 7.730 2.747
137 HD12 LEU 19 2HD1 LEU 19 -15.788 9.319 2.700
138 HD13 LEU 19 3HD1 LEU 19 -16.679 7.947 3.346
139 HD21 LEU 19 3HD2 LEU 19 -14.798 7.653 6.505
140 HD22 LEU 19 1HD2 LEU 19 -14.593 6.676 5.037
141 HD23 LEU 19 2HD2 LEU 19 -16.223 7.099 5.613
142 H GLY 20 H GLY 20 -11.025 10.151 4.559
143 HA2 GLY 20 1HA GLY 20 -10.657 12.397 6.247
144 HA3 GLY 20 2HA GLY 20 -9.380 11.471 5.450
145 H GLY 21 H GLY 21 -10.719 12.233 2.748
146 HA2 GLY 21 1HA GLY 21 -10.861 14.122 1.366
147 HA3 GLY 21 2HA GLY 21 -9.945 15.089 2.535
148 H ALA 22 H ALA 22 -8.565 11.968 2.067
149 HA ALA 22 HA ALA 22 -6.219 13.149 0.725
150 HB1 ALA 22 1HB ALA 22 -6.853 10.326 1.691
151 HB2 ALA 22 2HB ALA 22 -5.324 10.819 0.963
152 HB3 ALA 22 3HB ALA 22 -5.823 11.519 2.517
153 H PHE 23 H PHE 23 -5.612 12.539 -1.405
154 HA PHE 23 HA PHE 23 -7.823 11.568 -3.111
155 HB3 PHE 23 2HB PHE 23 -5.009 12.475 -3.881
156 HD1 PHE 23 1HD PHE 23 -4.813 10.812 -5.720
157 HD2 PHE 23 2HD PHE 23 -8.141 13.553 -5.495
158 HE1 PHE 23 1HE PHE 23 -5.348 10.357 -8.093
159 HE2 PHE 23 2HE PHE 23 -8.636 13.117 -7.889
160 HZ PHE 23 HZ PHE 23 -7.271 11.530 -9.183
161 H ALA 24 H ALA 24 -8.086 9.419 -3.032
162 HA ALA 24 HA ALA 24 -5.718 7.660 -2.931
163 HB1 ALA 24 1HB ALA 24 -6.358 7.878 -0.636
164 HB2 ALA 24 2HB ALA 24 -8.074 7.605 -1.033
165 HB3 ALA 24 3HB ALA 24 -6.902 6.286 -1.218
166 H THR 25 H THR 25 -5.974 5.717 -3.919
167 HA THR 25 HA THR 25 -8.467 4.998 -5.244
168 HB THR 25 HB THR 25 -7.890 7.030 -6.457
169 HG1 THR 25 1HG THR 25 -8.346 6.198 -8.323
170 HG21 THR 25 3HG2 THR 25 -5.417 5.533 -7.383
171 HG22 THR 25 1HG2 THR 25 -5.403 6.876 -6.221
172 HG23 THR 25 2HG2 THR 25 -5.950 7.163 -7.874
173 H VAL 26 H VAL 26 -8.170 3.215 -6.751
174 HA VAL 26 HA VAL 26 -5.825 1.493 -6.139
175 HB VAL 26 HB VAL 26 -8.443 0.628 -7.430
176 HG11 VAL 26 1HG1 VAL 26 -7.614 -1.614 -6.701
177 HG12 VAL 26 2HG1 VAL 26 -6.568 -0.837 -7.870
178 HG13 VAL 26 3HG1 VAL 26 -6.108 -0.861 -6.155
179 HG21 VAL 26 3HG2 VAL 26 -9.045 1.396 -5.196
180 HG22 VAL 26 1HG2 VAL 26 -9.058 -0.371 -5.269
181 HG23 VAL 26 2HG2 VAL 26 -7.705 0.464 -4.492
182 H ALA 27 H ALA 27 -4.255 1.958 -7.635
183 HA ALA 27 HA ALA 27 -4.961 2.748 -10.371
184 HB1 ALA 27 1HB ALA 27 -3.072 3.802 -9.200
185 HB2 ALA 27 2HB ALA 27 -2.292 2.220 -9.017
186 HB3 ALA 27 3HB ALA 27 -2.528 2.911 -10.636
187 H ARG 28 H ARG 28 -4.649 -0.235 -8.661
188 HA ARG 28 HA ARG 28 -4.440 -1.726 -11.217
189 HB3 ARG 28 2HB ARG 28 -2.529 -2.364 -8.997
190 HG3 ARG 28 2HG ARG 28 -2.822 -3.834 -11.249
191 HD3 ARG 28 2HD ARG 28 -0.745 -1.613 -11.683
192 HE ARG 28 HE ARG 28 0.574 -3.131 -12.667
193 HH11 ARG 28 1HH1 ARG 28 -2.766 -4.168 -13.448
194 HH12 ARG 28 2HH1 ARG 28 -2.247 -5.551 -14.319
195 HH21 ARG 28 1HH2 ARG 28 1.247 -5.023 -13.804
196 HH22 ARG 28 2HH2 ARG 28 0.053 -6.016 -14.536
197 H LYS 29 H LYS 29 -6.183 -2.943 -11.051
198 HA LYS 29 HA LYS 29 -7.002 -4.360 -8.637
199 HB3 LYS 29 2HB LYS 29 -7.625 -4.655 -11.624
200 HG3 LYS 29 2HG LYS 29 -8.122 -6.798 -10.619
201 HD3 LYS 29 2HD LYS 29 -8.496 -5.938 -8.222
202 HE3 LYS 29 2HE LYS 29 -10.572 -4.513 -9.406
203 HZ1 LYS 29 3HZ LYS 29 -11.816 -6.759 -9.251
204 HZ2 LYS 29 1HZ LYS 29 -12.538 -5.393 -8.668
205 HZ3 LYS 29 2HZ LYS 29 -11.869 -6.459 -7.630
206 H GLY 30 H GLY 30 -6.328 -6.407 -8.054
207 HA2 GLY 30 1HA GLY 30 -4.942 -8.176 -9.960
208 HA3 GLY 30 2HA GLY 30 -4.345 -8.001 -8.297
209 H ASP 31 H ASP 31 -4.958 -10.213 -7.639
210 HA ASP 31 HA ASP 31 -7.695 -11.207 -8.003
211 HB3 ASP 31 2HB ASP 31 -5.857 -12.228 -5.897
212 H ALA 32 H ALA 32 -9.343 -11.476 -6.243
213 HA ALA 32 HA ALA 32 -9.256 -9.359 -4.257
214 HB1 ALA 32 1HB ALA 32 -11.301 -9.855 -5.441
215 HB2 ALA 32 2HB ALA 32 -11.351 -11.477 -4.697
216 HB3 ALA 32 3HB ALA 32 -11.475 -10.018 -3.691
217 H ARG 33 H ARG 33 -8.369 -12.755 -4.242
218 HA ARG 33 HA ARG 33 -8.114 -12.567 -1.233
219 HB3 ARG 33 2HB ARG 33 -8.154 -14.895 -1.034
220 HG3 ARG 33 2HG ARG 33 -10.271 -14.474 -3.187
221 HD3 ARG 33 2HD ARG 33 -9.996 -16.482 -0.909
222 HE ARG 33 HE ARG 33 -12.193 -16.686 -1.439
223 HH11 ARG 33 1HH1 ARG 33 -10.371 -16.819 -4.535
224 HH12 ARG 33 2HH1 ARG 33 -11.670 -17.678 -5.344
225 HH21 ARG 33 1HH2 ARG 33 -13.861 -17.700 -2.597
226 HH22 ARG 33 2HH2 ARG 33 -13.764 -17.794 -4.312
227 H ALA 34 H ALA 34 -6.535 -13.523 -4.280
228 HA ALA 34 HA ALA 34 -4.135 -14.341 -2.753
229 HB1 ALA 34 1HB ALA 34 -3.648 -15.746 -4.697
230 HB2 ALA 34 2HB ALA 34 -5.311 -16.043 -4.149
231 HB3 ALA 34 3HB ALA 34 -5.012 -15.039 -5.592
232 H GLY 35 H GLY 35 -5.002 -11.544 -3.870
233 HA2 GLY 35 1HA GLY 35 -2.861 -10.993 -5.806
234 HA3 GLY 35 2HA GLY 35 -4.189 -9.934 -5.337
235 H ALA 36 H ALA 36 -1.086 -10.413 -5.111
236 HA ALA 36 HA ALA 36 -0.426 -9.346 -2.423
237 HB1 ALA 36 1HB ALA 36 1.133 -9.392 -5.054
238 HB2 ALA 36 2HB ALA 36 1.782 -8.789 -3.516
239 HB3 ALA 36 3HB ALA 36 1.324 -10.496 -3.664
240 H VAL 37 H VAL 37 0.230 -6.942 -2.145
241 HA VAL 37 HA VAL 37 -0.841 -5.048 -4.089
242 HB VAL 37 HB VAL 37 -2.475 -4.938 -2.441
243 HG11 VAL 37 1HG1 VAL 37 -2.247 -6.930 -1.769
244 HG12 VAL 37 2HG1 VAL 37 -1.090 -6.423 -0.465
245 HG13 VAL 37 3HG1 VAL 37 -2.788 -5.845 -0.548
246 HG21 VAL 37 3HG2 VAL 37 -1.499 -2.840 -2.358
247 HG22 VAL 37 1HG2 VAL 37 -2.320 -3.279 -0.892
248 HG23 VAL 37 2HG2 VAL 37 -0.533 -3.339 -0.971
249 H LEU 38 H LEU 38 0.301 -3.154 -4.270
250 HA LEU 38 HA LEU 38 2.323 -2.549 -2.177
251 HB3 LEU 38 2HB LEU 38 3.139 -0.823 -3.853
252 HG LEU 38 HG LEU 38 3.435 -3.704 -4.826
253 HD11 LEU 38 1HD1 LEU 38 4.143 -2.035 -6.460
254 HD12 LEU 38 2HD1 LEU 38 5.540 -2.881 -5.799
255 HD13 LEU 38 3HD1 LEU 38 5.154 -1.223 -5.254
256 HD21 LEU 38 3HD2 LEU 38 4.113 -3.603 -2.510
257 HD22 LEU 38 1HD2 LEU 38 5.081 -2.136 -2.790
258 HD23 LEU 38 2HD2 LEU 38 5.533 -3.704 -3.504
259 H VAL 39 H VAL 39 1.935 -0.806 -1.022
260 HA VAL 39 HA VAL 39 -0.244 1.022 -1.903
261 HB VAL 39 HB VAL 39 0.380 0.502 0.981
262 HG11 VAL 39 1HG1 VAL 39 -0.538 2.746 0.501
263 HG12 VAL 39 2HG1 VAL 39 -1.896 2.011 -0.364
264 HG13 VAL 39 3HG1 VAL 39 -1.711 1.771 1.389
265 HG21 VAL 39 3HG2 VAL 39 -1.951 -0.575 1.006
266 HG22 VAL 39 1HG2 VAL 39 -1.796 -0.660 -0.778
267 HG23 VAL 39 2HG2 VAL 39 -0.651 -1.508 0.284
268 H LYS 40 H LYS 40 0.820 2.782 -2.618
269 HA LYS 40 HA LYS 40 3.365 3.535 -1.233
270 HB3 LYS 40 2HB LYS 40 2.231 3.988 -4.006
271 HG3 LYS 40 2HG LYS 40 4.181 5.798 -2.583
272 HD3 LYS 40 2HD LYS 40 3.746 5.486 -5.589
273 HE3 LYS 40 2HE LYS 40 5.399 7.423 -3.911
274 HZ1 LYS 40 3HZ LYS 40 6.505 7.000 -5.968
275 HZ2 LYS 40 1HZ LYS 40 5.899 8.477 -6.002
276 HZ3 LYS 40 2HZ LYS 40 5.141 7.239 -6.855
277 H ALA 41 H ALA 41 3.392 5.445 -0.045
278 HA ALA 41 HA ALA 41 0.894 7.052 0.109
279 HB1 ALA 41 1HB ALA 41 2.648 6.219 2.460
280 HB2 ALA 41 2HB ALA 41 1.235 7.292 2.525
281 HB3 ALA 41 3HB ALA 41 1.016 5.579 2.111
282 H VAL 42 H VAL 42 1.297 9.256 0.076
283 HA VAL 42 HA VAL 42 4.140 10.140 0.019
284 HB VAL 42 HB VAL 42 1.969 10.763 -1.987
285 HG11 VAL 42 1HG1 VAL 42 3.731 12.574 -1.636
286 HG12 VAL 42 2HG1 VAL 42 4.981 11.381 -1.988
287 HG13 VAL 42 3HG1 VAL 42 3.814 11.870 -3.249
288 HG21 VAL 42 3HG2 VAL 42 2.650 8.480 -2.425
289 HG22 VAL 42 1HG2 VAL 42 3.373 9.528 -3.645
290 HG23 VAL 42 2HG2 VAL 42 4.376 8.926 -2.306
291 H ASP 43 H ASP 43 4.334 11.548 1.514
292 HA ASP 43 HA ASP 43 2.365 12.979 2.942
293 HB3 ASP 43 2HB ASP 43 4.267 14.222 3.884
294 H ARG 44 H ARG 44 1.113 14.218 1.438
295 HA ARG 44 HA ARG 44 2.228 16.116 -0.406
296 HB3 ARG 44 2HB ARG 44 -0.061 17.335 -0.064
297 HG3 ARG 44 2HG ARG 44 -1.427 15.556 -1.107
298 HD3 ARG 44 2HD ARG 44 0.076 15.121 -3.115
299 HE ARG 44 HE ARG 44 0.471 17.965 -2.597
300 HH11 ARG 44 1HH1 ARG 44 -1.901 15.494 -3.858
301 HH12 ARG 44 2HH1 ARG 44 -2.931 16.714 -4.412
302 HH21 ARG 44 1HH2 ARG 44 -1.007 19.464 -3.553
303 HH22 ARG 44 2HH2 ARG 44 -2.439 18.844 -4.307
304 H ARG 45 H ARG 45 2.437 16.262 3.023
305 HA ARG 45 HA ARG 45 2.613 19.174 3.248
306 HB3 ARG 45 2HB ARG 45 4.055 18.417 5.339
307 HG3 ARG 45 2HG ARG 45 1.104 18.076 4.869
308 HD3 ARG 45 2HD ARG 45 1.997 16.556 6.718
309 HE ARG 45 HE ARG 45 3.328 17.600 8.208
310 HH11 ARG 45 1HH1 ARG 45 0.375 19.566 7.875
311 HH12 ARG 45 2HH1 ARG 45 0.556 20.253 9.451
312 HH21 ARG 45 1HH2 ARG 45 3.563 18.518 10.110
313 HH22 ARG 45 2HH2 ARG 45 2.510 19.724 10.779
314 H GLU 46 H GLU 46 5.351 16.858 3.645
315 HA GLU 46 HA GLU 46 7.080 19.020 2.728
316 HB3 GLU 46 2HB GLU 46 8.885 17.599 3.445
317 HG3 GLU 46 2HG GLU 46 6.722 17.009 5.489
318 H GLY 47 H GLY 47 5.747 16.071 1.341
319 HA2 GLY 47 1HA GLY 47 5.893 15.492 -0.948
320 HA3 GLY 47 2HA GLY 47 7.512 16.199 -1.040
321 H THR 48 H THR 48 7.388 14.665 1.991
322 HA THR 48 HA THR 48 9.199 12.633 1.278
323 HB THR 48 HB THR 48 8.240 11.839 3.702
324 HG1 THR 48 1HG THR 48 6.884 13.260 4.441
325 HG21 THR 48 3HG2 THR 48 9.947 13.325 4.697
326 HG22 THR 48 1HG2 THR 48 10.001 14.285 3.201
327 HG23 THR 48 2HG2 THR 48 10.551 12.598 3.200
328 H ALA 49 H ALA 49 8.890 10.293 1.338
329 HA ALA 49 HA ALA 49 6.226 9.441 0.386
330 HB1 ALA 49 1HB ALA 49 8.777 9.459 -1.298
331 HB2 ALA 49 2HB ALA 49 7.235 8.712 -1.767
332 HB3 ALA 49 3HB ALA 49 7.337 10.461 -1.571
333 H ARG 50 H ARG 50 5.867 7.364 0.721
334 HA ARG 50 HA ARG 50 8.067 5.550 1.609
335 HB3 ARG 50 2HB ARG 50 6.326 4.686 3.338
336 HG3 ARG 50 2HG ARG 50 6.736 6.674 4.935
337 HD3 ARG 50 2HD ARG 50 8.921 5.049 3.619
338 HE ARG 50 HE ARG 50 9.329 7.291 5.346
339 HH11 ARG 50 1HH1 ARG 50 10.484 4.016 4.654
340 HH12 ARG 50 2HH1 ARG 50 12.096 4.275 5.206
341 HH21 ARG 50 1HH2 ARG 50 11.384 7.617 6.336
342 HH22 ARG 50 2HH2 ARG 50 12.633 6.417 6.141
343 H LEU 51 H LEU 51 7.556 3.316 1.424
344 HA LEU 51 HA LEU 51 5.269 2.699 -0.393
345 HB3 LEU 51 2HB LEU 51 7.565 0.940 -0.861
346 HG LEU 51 HG LEU 51 5.797 2.815 -2.447
347 HD11 LEU 51 1HD1 LEU 51 8.457 2.635 -3.129
348 HD12 LEU 51 2HD1 LEU 51 7.118 2.999 -4.176
349 HD13 LEU 51 3HD1 LEU 51 7.735 1.327 -4.078
350 HD21 LEU 51 3HD2 LEU 51 5.296 0.794 -3.721
351 HD22 LEU 51 1HD2 LEU 51 5.061 0.447 -1.987
352 HD23 LEU 51 2HD2 LEU 51 6.538 -0.116 -2.836
353 H PHE 52 H PHE 52 4.031 1.167 0.348
354 HA PHE 52 HA PHE 52 5.238 -0.700 2.345
355 HB3 PHE 52 2HB PHE 52 3.090 -0.856 3.391
356 HD1 PHE 52 1HD PHE 52 5.358 0.395 4.425
357 HD2 PHE 52 2HD PHE 52 1.888 2.346 2.747
358 HE1 PHE 52 1HE PHE 52 5.982 2.510 5.578
359 HE2 PHE 52 2HE PHE 52 2.494 4.433 3.928
360 HZ PHE 52 HZ PHE 52 4.553 4.521 5.339
361 H SER 53 H SER 53 4.856 -2.828 2.098
362 HA SER 53 HA SER 53 3.605 -3.782 -0.412
363 HB3 SER 53 2HB SER 53 6.303 -4.418 0.859
364 HG SER 53 HG SER 53 4.981 -5.476 -1.339
365 H GLU 54 H GLU 54 2.902 -5.990 -0.234
366 HA GLU 54 HA GLU 54 1.998 -6.683 2.390
367 HB3 GLU 54 2HB GLU 54 0.871 -7.244 0.186
368 HG3 GLU 54 2HG GLU 54 3.213 -8.967 -0.202
369 H ALA 55 H ALA 55 2.542 -8.588 3.585
370 HA ALA 55 HA ALA 55 4.981 -9.996 3.051
371 HB1 ALA 55 1HB ALA 55 4.726 -8.242 5.539
372 HB2 ALA 55 2HB ALA 55 6.099 -9.304 5.117
373 HB3 ALA 55 3HB ALA 55 5.753 -7.848 4.162
374 H THR 56 H THR 56 5.186 -11.736 4.695
375 HA THR 56 HA THR 56 2.838 -12.079 6.413
376 HB THR 56 HB THR 56 3.270 -14.662 5.282
377 HG1 THR 56 1HG THR 56 4.004 -13.276 3.465
378 HG21 THR 56 3HG2 THR 56 0.873 -14.382 4.646
379 HG22 THR 56 1HG2 THR 56 0.989 -12.662 5.074
380 HG23 THR 56 2HG2 THR 56 1.208 -13.899 6.330
381 H ARG 57 H ARG 57 3.363 -12.889 8.331
382 HA ARG 57 HA ARG 57 6.168 -13.548 8.867
383 HB3 ARG 57 2HB ARG 57 5.441 -13.861 11.186
384 HG3 ARG 57 2HG ARG 57 3.892 -11.458 10.159
385 HD3 ARG 57 2HD ARG 57 5.372 -11.768 12.790
386 HE ARG 57 HE ARG 57 2.886 -10.176 12.205
387 HH11 ARG 57 1HH1 ARG 57 6.277 -10.035 13.307
388 HH12 ARG 57 2HH1 ARG 57 5.941 -8.753 14.423
389 HH21 ARG 57 1HH2 ARG 57 2.530 -8.488 13.490
390 HH22 ARG 57 2HH2 ARG 57 3.722 -7.852 14.582
391 H GLY 58 H GLY 58 6.546 -15.645 10.286
392 HA2 GLY 58 1HA GLY 58 5.911 -17.877 8.645
393 HA3 GLY 58 2HA GLY 58 6.736 -17.906 10.197
394 H ASP 59 H ASP 59 3.827 -16.421 11.018
395 HA ASP 59 HA ASP 59 2.372 -18.986 11.035
396 HB3 ASP 59 2HB ASP 59 1.664 -16.964 13.080
397 H GLY 60 H GLY 60 2.410 -16.635 9.085
398 HA2 GLY 60 1HA GLY 60 0.818 -16.208 7.454
399 HA3 GLY 60 2HA GLY 60 -0.431 -16.941 8.450
400 H GLU 61 H GLU 61 1.509 -14.509 10.015
401 HA GLU 61 HA GLU 61 -0.755 -12.646 10.235
402 HB3 GLU 61 2HB GLU 61 1.536 -11.305 11.016
403 HG3 GLU 61 2HG GLU 61 -0.505 -11.744 12.329
404 H ARG 62 H ARG 62 -1.285 -11.492 8.409
405 HA ARG 62 HA ARG 62 0.731 -10.728 6.423
406 HB3 ARG 62 2HB ARG 62 -2.075 -9.637 6.808
407 HG3 ARG 62 2HG ARG 62 -0.285 -8.587 5.127
408 HD3 ARG 62 2HD ARG 62 -0.009 -10.832 3.910
409 HE ARG 62 HE ARG 62 -2.824 -10.658 3.738
410 HH11 ARG 62 1HH1 ARG 62 -0.087 -11.170 1.433
411 HH12 ARG 62 2HH1 ARG 62 -1.087 -11.922 0.280
412 HH21 ARG 62 1HH2 ARG 62 -4.070 -11.965 2.195
413 HH22 ARG 62 2HH2 ARG 62 -3.279 -12.506 0.789
414 H PHE 63 H PHE 63 1.660 -8.689 6.326
415 HA PHE 63 HA PHE 63 0.849 -6.560 8.150
416 HB3 PHE 63 2HB PHE 63 2.453 -7.586 9.579
417 HD1 PHE 63 2HD PHE 63 3.235 -9.794 8.575
418 HD2 PHE 63 1HD PHE 63 5.417 -6.038 8.014
419 HE1 PHE 63 2HE PHE 63 5.378 -10.990 8.101
420 HE2 PHE 63 1HE PHE 63 7.443 -7.294 7.619
421 HZ PHE 63 HZ PHE 63 7.446 -9.766 7.643
422 H TRP 64 H TRP 64 2.670 -4.686 7.603
423 HA TRP 64 HA TRP 64 2.788 -4.448 4.648
424 HB3 TRP 64 2HB TRP 64 2.267 -2.033 5.101
425 HD1 TRP 64 HD TRP 64 -0.488 -3.287 7.232
426 HE1 TRP 64 1HE TRP 64 -2.545 -3.794 5.917
427 HE3 TRP 64 3HE TRP 64 1.762 -3.370 2.673
428 HZ2 TRP 64 2HZ TRP 64 -3.115 -4.311 2.961
429 HZ3 TRP 64 3HZ TRP 64 0.552 -4.082 0.679
430 HH2 TRP 64 HH TRP 64 -1.908 -4.484 0.721
431 H MET 65 H MET 65 4.917 -4.825 4.337
432 HA MET 65 HA MET 65 6.877 -3.431 6.073
433 HB3 MET 65 2HB MET 65 6.955 -5.938 5.770
434 HG3 MET 65 2HG MET 65 8.237 -5.204 3.111
435 HE1 MET 65 3HE MET 65 10.276 -6.202 4.582
436 HE2 MET 65 1HE MET 65 9.404 -7.053 5.879
437 HE3 MET 65 2HE MET 65 10.536 -7.939 4.826
438 H GLN 66 H GLN 66 9.031 -2.924 4.973
439 HA GLN 66 HA GLN 66 8.433 -1.321 2.589
440 HB3 GLN 66 2HB GLN 66 10.104 0.289 3.388
441 HG3 GLN 66 2HG GLN 66 8.091 -0.188 5.619
442 HE21 GLN 66 1HE2 GLN 66 8.371 1.422 7.115
443 HE22 GLN 66 2HE2 GLN 66 9.041 3.022 6.786
444 HA PRO 67 HA PRO 67 11.850 -4.117 1.279
445 HB3 PRO 67 2HB PRO 67 10.301 -5.464 0.173
446 HG3 PRO 67 2HG PRO 67 8.341 -4.538 -0.802
447 HD3 PRO 67 2HD PRO 67 8.243 -3.885 1.458
448 H VAL 68 H VAL 68 10.516 -1.099 0.089
449 HA VAL 68 HA VAL 68 12.795 -0.597 -1.689
450 HB VAL 68 HB VAL 68 10.514 1.239 -0.889
451 HG11 VAL 68 1HG1 VAL 68 13.092 1.611 -2.478
452 HG12 VAL 68 2HG1 VAL 68 11.631 2.478 -2.980
453 HG13 VAL 68 3HG1 VAL 68 12.259 2.684 -1.354
454 HG21 VAL 68 3HG2 VAL 68 9.844 -0.622 -2.383
455 HG22 VAL 68 1HG2 VAL 68 9.916 0.900 -3.283
456 HG23 VAL 68 2HG2 VAL 68 11.241 -0.258 -3.427
457 H ARG 69 H ARG 69 14.435 -0.888 -0.414
458 HA ARG 69 HA ARG 69 15.053 0.496 2.013
459 HB3 ARG 69 2HB ARG 69 16.774 -0.958 -0.051
460 HG3 ARG 69 2HG ARG 69 17.519 -1.631 2.614
461 HD3 ARG 69 2HD ARG 69 18.787 0.181 0.534
462 HE ARG 69 HE ARG 69 19.708 -0.545 3.162
463 HH11 ARG 69 1HH1 ARG 69 20.806 0.312 -0.122
464 HH12 ARG 69 2HH1 ARG 69 22.241 1.092 0.531
465 HH21 ARG 69 1HH2 ARG 69 21.873 -0.011 3.819
466 HH22 ARG 69 2HH2 ARG 69 22.882 0.779 2.667
467 H SER 70 H SER 70 14.183 2.401 0.087
468 HA SER 70 HA SER 70 16.462 4.228 -0.048
469 HB3 SER 70 2HB SER 70 15.003 3.577 -2.635
470 HG SER 70 HG SER 70 16.759 4.675 -3.493
471 H THR 71 H THR 71 15.580 6.131 0.724
472 HA THR 71 HA THR 71 12.702 6.592 0.480
473 HB THR 71 HB THR 71 13.269 8.652 1.797
474 HG1 THR 71 1HG THR 71 15.284 9.198 1.704
475 HG21 THR 71 3HG2 THR 71 14.320 6.041 2.967
476 HG22 THR 71 1HG2 THR 71 12.616 6.518 2.875
477 HG23 THR 71 2HG2 THR 71 13.743 7.460 3.860
478 H PHE 72 H PHE 72 14.819 6.826 -1.948
479 HA PHE 72 HA PHE 72 14.339 9.557 -2.861
480 HB3 PHE 72 2HB PHE 72 15.161 8.372 -5.086
481 HD1 PHE 72 2HD PHE 72 15.832 10.838 -4.282
482 HD2 PHE 72 1HD PHE 72 17.917 7.189 -3.326
483 HE1 PHE 72 2HE PHE 72 17.856 12.142 -3.722
484 HE2 PHE 72 1HE PHE 72 19.953 8.510 -2.763
485 HZ PHE 72 HZ PHE 72 19.890 11.006 -2.902
486 H GLU 73 H GLU 73 12.528 10.216 -3.827
487 HA GLU 73 HA GLU 73 10.237 8.800 -4.315
488 HB3 GLU 73 2HB GLU 73 10.673 10.939 -6.291
489 HG3 GLU 73 2HG GLU 73 8.794 11.945 -5.132
490 HA PRO 74 HA PRO 74 11.299 7.747 -8.842
491 HB3 PRO 74 2HB PRO 74 12.915 8.957 -9.878
492 HG3 PRO 74 2HG PRO 74 14.664 9.976 -8.612
493 HD3 PRO 74 2HD PRO 74 12.639 10.537 -7.508
494 H ASP 75 H ASP 75 13.489 6.702 -6.225
495 HA ASP 75 HA ASP 75 13.848 4.014 -7.272
496 HB3 ASP 75 2HB ASP 75 14.654 3.500 -4.989
497 H LEU 76 H LEU 76 11.410 5.773 -5.507
498 HA LEU 76 HA LEU 76 10.183 3.430 -4.273
499 HB3 LEU 76 2HB LEU 76 8.426 5.128 -3.597
500 HG LEU 76 HG LEU 76 11.318 5.433 -2.730
501 HD11 LEU 76 1HD1 LEU 76 10.375 7.710 -2.529
502 HD12 LEU 76 2HD1 LEU 76 10.630 6.987 -0.947
503 HD13 LEU 76 3HD1 LEU 76 8.994 7.056 -1.626
504 HD21 LEU 76 3HD2 LEU 76 10.507 4.632 -0.593
505 HD22 LEU 76 1HD2 LEU 76 9.973 3.532 -1.860
506 HD23 LEU 76 2HD2 LEU 76 8.825 4.695 -1.163
507 H ASP 77 H ASP 77 9.079 5.906 -6.728
508 HA ASP 77 HA ASP 77 6.762 4.284 -7.340
509 HB3 ASP 77 2HB ASP 77 7.870 6.118 -9.430
510 H ALA 78 H ALA 78 9.966 4.349 -8.864
511 HA ALA 78 HA ALA 78 9.397 2.672 -11.073
512 HB1 ALA 78 1HB ALA 78 11.507 3.896 -10.791
513 HB2 ALA 78 2HB ALA 78 11.916 2.880 -9.374
514 HB3 ALA 78 3HB ALA 78 11.831 2.163 -10.983
515 H TYR 79 H TYR 79 9.667 1.894 -7.647
516 HA TYR 79 HA TYR 79 10.345 -0.862 -7.837
517 HB3 TYR 79 2HB TYR 79 8.452 0.363 -5.827
518 HD1 TYR 79 1HD TYR 79 11.687 -1.509 -5.560
519 HD2 TYR 79 2HD TYR 79 7.414 -1.544 -5.077
520 HE1 TYR 79 1HE TYR 79 11.836 -3.757 -4.491
521 HE2 TYR 79 2HE TYR 79 7.507 -3.869 -4.255
522 HH TYR 79 HH TYR 79 8.981 -5.598 -3.410
523 H ALA 80 H ALA 80 7.155 0.830 -7.727
524 HA ALA 80 HA ALA 80 5.617 -1.528 -8.063
525 HB1 ALA 80 1HB ALA 80 3.824 0.167 -8.778
526 HB2 ALA 80 2HB ALA 80 4.537 0.381 -7.175
527 HB3 ALA 80 3HB ALA 80 5.053 1.438 -8.513
528 H GLU 81 H GLU 81 7.236 0.577 -10.465
529 HA GLU 81 HA GLU 81 5.658 -0.285 -12.723
530 HB3 GLU 81 2HB GLU 81 7.652 0.495 -14.043
531 HG3 GLU 81 2HG GLU 81 6.787 2.475 -11.918
532 H ARG 82 H ARG 82 8.555 -1.370 -10.983
533 HA ARG 82 HA ARG 82 9.079 -3.461 -12.853
534 HB3 ARG 82 2HB ARG 82 10.214 -2.822 -10.100
535 HG3 ARG 82 2HG ARG 82 11.169 -4.869 -12.153
536 HD3 ARG 82 2HD ARG 82 12.474 -3.508 -9.789
537 HE ARG 82 HE ARG 82 12.945 -5.603 -9.037
538 HH11 ARG 82 1HH1 ARG 82 13.485 -5.662 -12.575
539 HH12 ARG 82 2HH1 ARG 82 14.101 -7.289 -12.523
540 HH21 ARG 82 1HH2 ARG 82 13.559 -7.671 -9.061
541 HH22 ARG 82 2HH2 ARG 82 13.910 -8.532 -10.519
542 H ALA 83 H ALA 83 7.890 -3.484 -9.432
543 HA ALA 83 HA ALA 83 7.608 -6.260 -9.193
544 HB1 ALA 83 1HB ALA 83 5.963 -4.030 -7.891
545 HB2 ALA 83 2HB ALA 83 6.072 -5.706 -7.328
546 HB3 ALA 83 3HB ALA 83 7.507 -4.661 -7.284
547 H ALA 84 H ALA 84 5.393 -3.823 -10.472
548 HA ALA 84 HA ALA 84 3.202 -5.698 -10.849
549 HB1 ALA 84 1HB ALA 84 1.891 -3.792 -11.348
550 HB2 ALA 84 2HB ALA 84 2.975 -3.299 -10.028
551 HB3 ALA 84 3HB ALA 84 3.322 -2.789 -11.692
552 H ARG 85 H ARG 85 5.829 -5.870 -12.442
553 HA ARG 85 HA ARG 85 4.396 -6.403 -15.014
554 HB3 ARG 85 2HB ARG 85 6.340 -4.568 -14.927
555 HG3 ARG 85 2HG ARG 85 7.764 -7.143 -15.546
556 HD3 ARG 85 2HD ARG 85 9.222 -4.593 -15.086
557 HE ARG 85 HE ARG 85 10.859 -5.978 -15.811
558 HH11 ARG 85 1HH1 ARG 85 7.969 -6.601 -17.767
559 HH12 ARG 85 2HH1 ARG 85 8.601 -7.935 -18.644
560 HH21 ARG 85 1HH2 ARG 85 11.739 -7.860 -16.872
561 HH22 ARG 85 2HH2 ARG 85 10.888 -8.502 -18.241
562 H ILE 86 H ILE 86 5.678 -7.778 -12.248
563 HA ILE 86 HA ILE 86 6.656 -10.221 -13.653
564 HB ILE 86 HB ILE 86 7.660 -8.773 -11.207
565 HG13 ILE 86 2HG1 ILE 86 8.418 -8.464 -13.790
566 HG21 ILE 86 1HG2 ILE 86 8.402 -11.605 -12.072
567 HG22 ILE 86 2HG2 ILE 86 9.299 -10.635 -10.889
568 HG23 ILE 86 3HG2 ILE 86 7.642 -11.121 -10.540
569 HD11 ILE 86 3HD1 ILE 86 10.551 -7.640 -13.080
570 HD12 ILE 86 1HD1 ILE 86 9.386 -7.264 -11.793
571 HD13 ILE 86 2HD1 ILE 86 10.507 -8.624 -11.610
572 H ASP 87 H ASP 87 4.658 -8.929 -10.999
573 HA ASP 87 HA ASP 87 3.948 -11.578 -10.008
574 HB3 ASP 87 2HB ASP 87 1.930 -9.724 -9.340
575 HA PRO 88 HA PRO 88 0.811 -12.611 -12.924
576 HB3 PRO 88 2HB PRO 88 0.595 -14.639 -11.835
577 HG3 PRO 88 2HG PRO 88 0.794 -14.796 -9.476
578 HD3 PRO 88 2HD PRO 88 2.698 -13.630 -10.165
579 H ASP 89 H ASP 89 -0.413 -11.277 -9.767
580 HA ASP 89 HA ASP 89 -2.016 -9.288 -11.132
581 HB3 ASP 89 2HB ASP 89 -3.961 -10.300 -9.558
582 H ILE 90 H ILE 90 -0.513 -7.951 -9.941
583 HA ILE 90 HA ILE 90 -0.811 -8.016 -6.979
584 HB ILE 90 HB ILE 90 1.448 -8.008 -7.962
585 HG13 ILE 90 2HG1 ILE 90 0.958 -7.194 -5.692
586 HG21 ILE 90 1HG2 ILE 90 0.779 -5.189 -8.895
587 HG22 ILE 90 2HG2 ILE 90 2.371 -5.959 -8.945
588 HG23 ILE 90 3HG2 ILE 90 1.053 -6.599 -9.934
589 HD11 ILE 90 3HD1 ILE 90 3.291 -7.494 -6.430
590 HD12 ILE 90 1HD1 ILE 90 3.334 -5.787 -6.931
591 HD13 ILE 90 2HD1 ILE 90 3.088 -6.200 -5.230
592 H TRP 91 H TRP 91 -1.456 -6.082 -5.839
593 HA TRP 91 HA TRP 91 -3.165 -4.263 -7.405
594 HB3 TRP 91 2HB TRP 91 -3.777 -3.692 -4.900
595 HD1 TRP 91 HD TRP 91 -3.758 -7.418 -5.784
596 HE1 TRP 91 1HE TRP 91 -6.147 -8.283 -5.933
597 HE3 TRP 91 3HE TRP 91 -6.242 -3.030 -5.043
598 HZ2 TRP 91 2HZ TRP 91 -8.863 -7.193 -5.797
599 HZ3 TRP 91 3HZ TRP 91 -8.738 -2.977 -5.046
600 HH2 TRP 91 HH TRP 91 -10.040 -5.061 -5.369
601 H VAL 92 H VAL 92 -3.088 -1.977 -6.860
602 HA VAL 92 HA VAL 92 -0.583 -0.870 -5.742
603 HB VAL 92 HB VAL 92 -1.750 -0.082 -8.428
604 HG11 VAL 92 1HG1 VAL 92 -0.813 1.860 -7.252
605 HG12 VAL 92 2HG1 VAL 92 0.738 1.010 -7.073
606 HG13 VAL 92 3HG1 VAL 92 0.118 1.422 -8.694
607 HG21 VAL 92 3HG2 VAL 92 0.239 -0.812 -9.529
608 HG22 VAL 92 1HG2 VAL 92 1.042 -1.176 -7.993
609 HG23 VAL 92 2HG2 VAL 92 -0.306 -2.187 -8.566
610 H VAL 93 H VAL 93 -1.445 0.388 -4.162
611 HA VAL 93 HA VAL 93 -3.840 2.012 -4.823
612 HB VAL 93 HB VAL 93 -3.185 0.541 -2.249
613 HG11 VAL 93 1HG1 VAL 93 -5.043 2.912 -2.663
614 HG12 VAL 93 2HG1 VAL 93 -5.207 1.777 -1.314
615 HG13 VAL 93 3HG1 VAL 93 -3.733 2.747 -1.496
616 HG21 VAL 93 3HG2 VAL 93 -5.514 -0.257 -2.540
617 HG22 VAL 93 1HG2 VAL 93 -5.660 0.752 -3.996
618 HG23 VAL 93 2HG2 VAL 93 -4.552 -0.627 -3.980
619 H GLU 94 H GLU 94 -3.530 4.140 -4.623
620 HA GLU 94 HA GLU 94 -0.884 5.023 -3.577
621 HB3 GLU 94 2HB GLU 94 -0.836 6.653 -5.342
622 HG3 GLU 94 2HG GLU 94 -1.726 4.129 -6.795
623 H ILE 95 H ILE 95 -0.972 6.489 -2.001
624 HA ILE 95 HA ILE 95 -3.608 7.720 -1.369
625 HB ILE 95 HB ILE 95 -1.452 6.734 0.564
626 HG13 ILE 95 2HG1 ILE 95 -2.884 4.921 1.260
627 HG21 ILE 95 1HG2 ILE 95 -4.248 7.808 1.101
628 HG22 ILE 95 2HG2 ILE 95 -3.195 7.036 2.313
629 HG23 ILE 95 3HG2 ILE 95 -2.698 8.542 1.547
630 HD11 ILE 95 3HD1 ILE 95 -4.570 5.389 -1.215
631 HD12 ILE 95 1HD1 ILE 95 -4.765 4.128 0.013
632 HD13 ILE 95 2HD1 ILE 95 -5.118 5.799 0.438
633 H GLU 96 H GLU 96 -3.293 9.930 -1.925
634 HA GLU 96 HA GLU 96 -0.739 11.254 -1.148
635 HB3 GLU 96 2HB GLU 96 -1.805 13.259 -2.132
636 HG3 GLU 96 2HG GLU 96 -1.854 11.115 -4.239
637 H ASP 97 H ASP 97 -0.746 11.525 1.035
638 HA ASP 97 HA ASP 97 -3.110 12.970 2.204
639 HB3 ASP 97 2HB ASP 97 -1.455 10.854 3.628
640 H ARG 98 H ARG 98 -2.569 14.560 3.781
641 HA ARG 98 HA ARG 98 -0.127 15.961 3.132
642 HB3 ARG 98 2HB ARG 98 -0.927 17.541 4.981
643 HG3 ARG 98 2HG ARG 98 -2.991 18.254 3.885
644 HD3 ARG 98 2HD ARG 98 -2.088 17.965 1.336
645 HE ARG 98 HE ARG 98 -0.455 19.933 2.504
646 HH11 ARG 98 1HH1 ARG 98 -3.935 19.276 1.939
647 HH12 ARG 98 2HH1 ARG 98 -4.332 20.948 1.939
648 HH21 ARG 98 1HH2 ARG 98 -1.000 22.065 2.410
649 HH22 ARG 98 2HH2 ARG 98 -2.592 22.541 1.824
650 H ASP 99 H ASP 99 -1.085 14.481 6.255
651 HA ASP 99 HA ASP 99 1.696 14.689 7.223
652 HB3 ASP 99 2HB ASP 99 -0.450 13.520 8.923
653 H GLY 100 H GLY 100 1.092 12.906 5.007
654 HA2 GLY 100 1HA GLY 100 1.906 10.898 4.286
655 HA3 GLY 100 2HA GLY 100 2.827 10.859 5.797
656 H ARG 101 H ARG 101 -0.745 10.856 5.777
657 HA ARG 101 HA ARG 101 -0.721 8.589 7.563
658 HB3 ARG 101 2HB ARG 101 -3.208 8.460 7.025
659 HG3 ARG 101 2HG ARG 101 -2.253 11.217 7.895
660 HD3 ARG 101 2HD ARG 101 -4.845 9.641 8.279
661 HE ARG 101 HE ARG 101 -4.218 12.425 9.167
662 HH11 ARG 101 1HH1 ARG 101 -5.378 9.172 10.141
663 HH12 ARG 101 2HH1 ARG 101 -5.929 9.763 11.674
664 HH21 ARG 101 1HH2 ARG 101 -5.157 13.126 11.060
665 HH22 ARG 101 2HH2 ARG 101 -5.794 11.970 12.219
666 H HIS 102 H HIS 102 -0.811 6.454 7.149
667 HA HIS 102 HA HIS 102 -0.903 5.540 4.332
668 HB3 HIS 102 2HB HIS 102 0.786 4.474 5.512
669 HD1 HIS 102 1HD HIS 102 -2.116 3.372 7.976
670 HD2 HIS 102 2HD HIS 102 1.968 4.388 7.703
671 HE1 HIS 102 1HE HIS 102 -1.173 3.129 10.301
672 H PHE 103 H PHE 103 -3.085 6.065 6.995
673 HA PHE 103 HA PHE 103 -5.203 5.483 7.424
674 HB3 PHE 103 2HB PHE 103 -6.678 5.219 5.304
675 HD1 PHE 103 2HD PHE 103 -7.735 6.830 6.835
676 HD2 PHE 103 1HD PHE 103 -4.365 7.953 4.379
677 HE1 PHE 103 2HE PHE 103 -8.331 9.218 7.094
678 HE2 PHE 103 1HE PHE 103 -5.035 10.317 4.577
679 HZ PHE 103 HZ PHE 103 -6.994 10.965 5.944
680 H LEU 104 H LEU 104 -3.356 2.982 6.221
681 HA LEU 104 HA LEU 104 -4.991 0.751 6.107
682 HB3 LEU 104 2HB LEU 104 -3.013 -0.569 6.778
683 HG LEU 104 HG LEU 104 -2.325 1.816 5.065
684 HD11 LEU 104 1HD1 LEU 104 -0.467 -0.502 5.592
685 HD12 LEU 104 2HD1 LEU 104 -0.327 1.075 6.392
686 HD13 LEU 104 3HD1 LEU 104 -0.162 0.978 4.651
687 HD21 LEU 104 3HD2 LEU 104 -2.574 -1.147 4.416
688 HD22 LEU 104 1HD2 LEU 104 -2.358 0.209 3.264
689 HD23 LEU 104 2HD2 LEU 104 -3.856 0.047 4.187
690 H THR 105 H THR 105 -4.701 -1.171 7.897
691 HA THR 105 HA THR 105 -5.858 -0.089 10.434
692 HB THR 105 HB THR 105 -7.108 -2.261 10.415
693 HG1 THR 105 1HG THR 105 -6.702 -3.681 8.870
694 HG21 THR 105 3HG2 THR 105 -8.673 -1.548 8.670
695 HG22 THR 105 1HG2 THR 105 -7.408 -0.578 7.883
696 HG23 THR 105 2HG2 THR 105 -8.041 -0.110 9.492
697 H GLU 106 H GLU 106 -2.940 -1.237 9.471
698 HA GLU 106 HA GLU 106 -2.680 -3.432 11.413
699 HB3 GLU 106 2HB GLU 106 -1.346 -4.302 9.246
700 HG3 GLU 106 2HG GLU 106 -4.337 -4.125 9.699
701 HA PRO 107 HA PRO 107 1.413 -1.831 12.512
702 HB3 PRO 107 2HB PRO 107 2.123 -3.854 13.387
703 HG3 PRO 107 2HG PRO 107 1.451 -5.923 12.406
704 HD3 PRO 107 2HD PRO 107 -0.523 -4.684 12.837
705 H VAL 108 H VAL 108 3.377 -1.093 11.410
706 HA VAL 108 HA VAL 108 3.619 -1.589 8.555
707 HB VAL 108 HB VAL 108 3.422 1.208 9.694
708 HG11 VAL 108 1HG1 VAL 108 3.981 1.980 7.402
709 HG12 VAL 108 2HG1 VAL 108 5.328 1.085 8.115
710 HG13 VAL 108 3HG1 VAL 108 4.289 0.292 6.919
711 HG21 VAL 108 3HG2 VAL 108 1.223 0.339 9.098
712 HG22 VAL 108 1HG2 VAL 108 1.711 1.525 7.883
713 HG23 VAL 108 2HG2 VAL 108 1.834 -0.204 7.513
714 H GLU 109 H GLU 109 5.521 -2.341 8.435
715 HA GLU 109 HA GLU 109 7.472 -2.149 10.538
716 HB3 GLU 109 2HB GLU 109 8.587 -3.615 8.473
717 HG3 GLU 109 2HG GLU 109 8.212 -4.599 10.572
718 H SER 110 H SER 110 9.832 -2.188 9.437
719 HA SER 110 HA SER 110 10.382 0.172 7.824
720 HB3 SER 110 2HB SER 110 11.582 -0.458 10.556
721 HG SER 110 HG SER 110 12.944 0.994 10.144
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -12.456 -18.629 14.040
2 HA2 GLY 1 1HA GLY 1 -14.328 -17.074 13.639
3 HA3 GLY 1 2HA GLY 1 -12.746 -16.263 13.637
4 H MET 2 H MET 2 -12.927 -14.663 12.141
5 HA MET 2 HA MET 2 -14.715 -14.812 9.883
6 HB3 MET 2 2HB MET 2 -13.994 -12.512 9.495
7 HG3 MET 2 2HG MET 2 -14.301 -13.118 12.458
8 HE1 MET 2 3HE MET 2 -15.212 -8.944 10.691
9 HE2 MET 2 1HE MET 2 -14.411 -10.170 9.688
10 HE3 MET 2 2HE MET 2 -16.070 -10.443 10.264
11 H LEU 3 H LEU 3 -13.850 -13.919 7.667
12 HA LEU 3 HA LEU 3 -11.079 -14.678 7.073
13 HB3 LEU 3 2HB LEU 3 -13.249 -15.626 5.211
14 HG LEU 3 HG LEU 3 -11.714 -17.278 4.566
15 HD11 LEU 3 1HD1 LEU 3 -11.095 -15.037 3.659
16 HD12 LEU 3 2HD1 LEU 3 -9.768 -16.208 3.732
17 HD13 LEU 3 3HD1 LEU 3 -9.856 -14.928 4.943
18 HD21 LEU 3 3HD2 LEU 3 -9.961 -16.491 6.906
19 HD22 LEU 3 1HD2 LEU 3 -9.559 -17.708 5.684
20 HD23 LEU 3 2HD2 LEU 3 -10.952 -17.977 6.755
21 H LEU 4 H LEU 4 -10.378 -12.759 6.487
22 HA LEU 4 HA LEU 4 -11.993 -10.958 4.767
23 HB3 LEU 4 2HB LEU 4 -10.000 -9.434 5.227
24 HG LEU 4 HG LEU 4 -10.453 -8.881 7.565
25 HD11 LEU 4 1HD1 LEU 4 -12.934 -9.312 5.877
26 HD12 LEU 4 2HD1 LEU 4 -11.827 -7.921 5.884
27 HD13 LEU 4 3HD1 LEU 4 -12.812 -8.254 7.305
28 HD21 LEU 4 3HD2 LEU 4 -12.477 -11.132 7.723
29 HD22 LEU 4 1HD2 LEU 4 -12.040 -9.939 8.965
30 HD23 LEU 4 2HD2 LEU 4 -10.862 -11.163 8.480
31 H SER 5 H SER 5 -10.632 -9.842 2.961
32 HA SER 5 HA SER 5 -8.753 -11.740 1.659
33 HB3 SER 5 2HB SER 5 -9.868 -11.634 -0.338
34 HG SER 5 HG SER 5 -12.227 -11.041 0.050
35 H THR 6 H THR 6 -7.255 -10.509 0.105
36 HA THR 6 HA THR 6 -6.167 -8.105 0.898
37 HB THR 6 HB THR 6 -6.466 -9.060 -1.959
38 HG1 THR 6 1HG THR 6 -4.286 -9.893 -1.383
39 HG21 THR 6 3HG2 THR 6 -5.475 -6.660 -1.299
40 HG22 THR 6 1HG2 THR 6 -4.653 -7.689 -2.475
41 HG23 THR 6 2HG2 THR 6 -4.088 -7.626 -0.801
42 H ASP 7 H ASP 7 -8.687 -8.668 -1.520
43 HA ASP 7 HA ASP 7 -9.415 -6.103 -2.278
44 HB3 ASP 7 2HB ASP 7 -10.897 -8.692 -2.043
45 H ILE 8 H ILE 8 -10.622 -7.875 0.607
46 HA ILE 8 HA ILE 8 -12.727 -6.039 1.151
47 HB ILE 8 HB ILE 8 -11.324 -7.891 3.093
48 HG13 ILE 8 2HG1 ILE 8 -13.098 -9.425 2.705
49 HG21 ILE 8 1HG2 ILE 8 -12.551 -6.226 4.332
50 HG22 ILE 8 2HG2 ILE 8 -13.890 -6.236 3.177
51 HG23 ILE 8 3HG2 ILE 8 -13.627 -7.628 4.258
52 HD11 ILE 8 3HD1 ILE 8 -14.599 -9.300 0.800
53 HD12 ILE 8 1HD1 ILE 8 -14.989 -8.050 1.998
54 HD13 ILE 8 2HD1 ILE 8 -14.131 -7.622 0.494
55 H TRP 9 H TRP 9 -9.440 -6.400 2.597
56 HA TRP 9 HA TRP 9 -9.810 -4.265 4.436
57 HB3 TRP 9 2HB TRP 9 -7.408 -4.359 4.745
58 HD1 TRP 9 HD TRP 9 -9.158 -5.901 6.583
59 HE1 TRP 9 1HE TRP 9 -8.490 -8.257 7.420
60 HE3 TRP 9 3HE TRP 9 -6.228 -7.341 2.721
61 HZ2 TRP 9 2HZ TRP 9 -6.888 -10.468 6.518
62 HZ3 TRP 9 3HZ TRP 9 -5.131 -9.635 2.693
63 HH2 TRP 9 HH TRP 9 -5.469 -11.165 4.603
64 H VAL 10 H VAL 10 -8.435 -4.333 1.087
65 HA VAL 10 HA VAL 10 -7.730 -1.563 1.050
66 HB VAL 10 HB VAL 10 -8.287 -3.585 -1.136
67 HG11 VAL 10 1HG1 VAL 10 -7.155 -0.771 -1.438
68 HG12 VAL 10 2HG1 VAL 10 -7.090 -2.045 -2.678
69 HG13 VAL 10 3HG1 VAL 10 -8.650 -1.407 -2.156
70 HG21 VAL 10 3HG2 VAL 10 -5.710 -2.441 0.061
71 HG22 VAL 10 1HG2 VAL 10 -6.296 -4.114 0.179
72 HG23 VAL 10 2HG2 VAL 10 -5.772 -3.478 -1.382
73 H ALA 11 H ALA 11 -10.770 -3.272 0.150
74 HA ALA 11 HA ALA 11 -12.074 -1.031 -0.940
75 HB1 ALA 11 1HB ALA 11 -12.874 -3.396 -1.134
76 HB2 ALA 11 2HB ALA 11 -13.265 -3.415 0.602
77 HB3 ALA 11 3HB ALA 11 -14.147 -2.341 -0.501
78 H ALA 12 H ALA 12 -11.357 -1.774 2.418
79 HA ALA 12 HA ALA 12 -13.358 0.155 3.461
80 HB1 ALA 12 1HB ALA 12 -12.851 -1.980 4.663
81 HB2 ALA 12 2HB ALA 12 -11.160 -1.481 4.846
82 HB3 ALA 12 3HB ALA 12 -12.453 -0.552 5.630
83 H LEU 13 H LEU 13 -9.819 -0.310 3.202
84 HA LEU 13 HA LEU 13 -9.008 2.056 4.407
85 HB3 LEU 13 2HB LEU 13 -7.732 -0.082 3.310
86 HG LEU 13 HG LEU 13 -7.616 1.211 1.018
87 HD11 LEU 13 1HD1 LEU 13 -5.786 2.819 0.875
88 HD12 LEU 13 2HD1 LEU 13 -5.383 2.588 2.598
89 HD13 LEU 13 3HD1 LEU 13 -6.860 3.414 2.124
90 HD21 LEU 13 3HD2 LEU 13 -4.844 0.543 1.711
91 HD22 LEU 13 1HD2 LEU 13 -5.896 -0.030 0.422
92 HD23 LEU 13 2HD2 LEU 13 -6.026 -0.736 2.033
93 H ILE 14 H ILE 14 -9.707 1.573 0.900
94 HA ILE 14 HA ILE 14 -9.014 4.191 0.094
95 HB ILE 14 HB ILE 14 -10.888 2.072 -1.036
96 HG13 ILE 14 2HG1 ILE 14 -9.173 1.859 -2.770
97 HG21 ILE 14 1HG2 ILE 14 -10.933 3.392 -3.194
98 HG22 ILE 14 2HG2 ILE 14 -11.906 4.075 -1.892
99 HG23 ILE 14 3HG2 ILE 14 -10.353 4.802 -2.282
100 HD11 ILE 14 3HD1 ILE 14 -8.204 4.275 -2.498
101 HD12 ILE 14 1HD1 ILE 14 -7.328 3.615 -1.107
102 HD13 ILE 14 2HD1 ILE 14 -7.056 2.933 -2.706
103 H ARG 15 H ARG 15 -12.313 2.929 0.872
104 HA ARG 15 HA ARG 15 -13.740 5.227 0.869
105 HB3 ARG 15 2HB ARG 15 -13.751 2.614 2.463
106 HG3 ARG 15 2HG ARG 15 -15.682 4.871 2.389
107 HD3 ARG 15 2HD ARG 15 -16.245 2.140 3.626
108 HE ARG 15 HE ARG 15 -17.718 4.514 3.729
109 HH11 ARG 15 1HH1 ARG 15 -18.215 1.224 2.554
110 HH12 ARG 15 2HH1 ARG 15 -19.871 1.472 2.126
111 HH21 ARG 15 1HH2 ARG 15 -20.016 4.730 3.550
112 HH22 ARG 15 2HH2 ARG 15 -20.981 3.435 2.930
113 H ARG 16 H ARG 16 -11.755 3.955 3.608
114 HA ARG 16 HA ARG 16 -12.491 6.121 5.372
115 HB3 ARG 16 2HB ARG 16 -10.450 5.295 6.682
116 HG3 ARG 16 2HG ARG 16 -12.596 3.352 5.810
117 HD3 ARG 16 2HD ARG 16 -10.085 2.721 7.381
118 HE ARG 16 HE ARG 16 -12.626 1.840 8.101
119 HH11 ARG 16 1HH1 ARG 16 -9.774 0.233 6.817
120 HH12 ARG 16 2HH1 ARG 16 -9.961 -1.210 7.766
121 HH21 ARG 16 1HH2 ARG 16 -12.791 0.012 9.519
122 HH22 ARG 16 2HH2 ARG 16 -11.610 -1.247 9.446
123 H ALA 17 H ALA 17 -9.863 5.793 2.967
124 HA ALA 17 HA ALA 17 -8.248 7.951 3.937
125 HB1 ALA 17 1HB ALA 17 -7.148 7.763 1.755
126 HB2 ALA 17 2HB ALA 17 -7.410 6.139 2.431
127 HB3 ALA 17 3HB ALA 17 -8.472 6.755 1.142
128 H GLU 18 H GLU 18 -10.482 7.681 1.168
129 HA GLU 18 HA GLU 18 -10.399 10.413 0.437
130 HB3 GLU 18 2HB GLU 18 -12.438 9.806 -0.851
131 HG3 GLU 18 2HG GLU 18 -10.284 7.622 -1.048
132 H LEU 19 H LEU 19 -12.740 8.598 2.520
133 HA LEU 19 HA LEU 19 -14.429 10.735 3.250
134 HB3 LEU 19 2HB LEU 19 -13.409 8.264 4.681
135 HG LEU 19 HG LEU 19 -14.783 9.715 6.242
136 HD11 LEU 19 1HD1 LEU 19 -16.402 10.593 4.593
137 HD12 LEU 19 2HD1 LEU 19 -17.242 9.661 5.841
138 HD13 LEU 19 3HD1 LEU 19 -16.955 8.933 4.236
139 HD21 LEU 19 3HD2 LEU 19 -14.442 7.296 6.457
140 HD22 LEU 19 1HD2 LEU 19 -15.800 6.980 5.362
141 HD23 LEU 19 2HD2 LEU 19 -16.082 7.736 6.960
142 H GLY 20 H GLY 20 -11.170 9.883 4.291
143 HA2 GLY 20 1HA GLY 20 -11.305 11.459 6.759
144 HA3 GLY 20 2HA GLY 20 -9.997 10.403 6.195
145 H GLY 21 H GLY 21 -10.818 12.280 3.551
146 HA2 GLY 21 1HA GLY 21 -10.300 14.424 2.865
147 HA3 GLY 21 2HA GLY 21 -9.490 14.754 4.398
148 H ALA 22 H ALA 22 -8.561 11.853 2.581
149 HA ALA 22 HA ALA 22 -6.117 13.238 1.546
150 HB1 ALA 22 1HB ALA 22 -5.096 10.967 1.515
151 HB2 ALA 22 2HB ALA 22 -5.488 11.523 3.153
152 HB3 ALA 22 3HB ALA 22 -6.528 10.321 2.343
153 H PHE 23 H PHE 23 -5.406 12.036 -0.583
154 HA PHE 23 HA PHE 23 -7.821 11.383 -2.220
155 HB3 PHE 23 2HB PHE 23 -4.978 11.537 -3.200
156 HD1 PHE 23 2HD PHE 23 -8.468 12.706 -4.063
157 HD2 PHE 23 1HD PHE 23 -4.805 10.864 -5.425
158 HE1 PHE 23 2HE PHE 23 -9.379 12.596 -6.358
159 HE2 PHE 23 1HE PHE 23 -5.694 10.813 -7.726
160 HZ PHE 23 HZ PHE 23 -7.991 11.706 -8.209
161 H ALA 24 H ALA 24 -7.978 9.208 -2.996
162 HA ALA 24 HA ALA 24 -5.651 7.577 -2.963
163 HB1 ALA 24 1HB ALA 24 -7.989 6.601 -1.254
164 HB2 ALA 24 2HB ALA 24 -6.446 5.759 -1.575
165 HB3 ALA 24 3HB ALA 24 -6.455 7.219 -0.591
166 H THR 25 H THR 25 -6.114 5.511 -3.993
167 HA THR 25 HA THR 25 -8.615 4.648 -4.741
168 HB THR 25 HB THR 25 -8.703 6.471 -6.399
169 HG1 THR 25 1HG THR 25 -9.205 4.971 -8.160
170 HG21 THR 25 3HG2 THR 25 -6.303 6.543 -6.954
171 HG22 THR 25 1HG2 THR 25 -7.346 6.423 -8.380
172 HG23 THR 25 2HG2 THR 25 -6.478 4.983 -7.808
173 H VAL 26 H VAL 26 -8.229 2.848 -6.662
174 HA VAL 26 HA VAL 26 -5.830 1.329 -5.856
175 HB VAL 26 HB VAL 26 -7.682 0.754 -4.517
176 HG11 VAL 26 1HG1 VAL 26 -9.619 1.376 -5.910
177 HG12 VAL 26 2HG1 VAL 26 -9.337 -0.065 -6.914
178 HG13 VAL 26 3HG1 VAL 26 -9.745 -0.233 -5.195
179 HG21 VAL 26 3HG2 VAL 26 -7.198 -1.474 -6.523
180 HG22 VAL 26 1HG2 VAL 26 -6.174 -1.071 -5.130
181 HG23 VAL 26 2HG2 VAL 26 -7.822 -1.650 -4.868
182 H ALA 27 H ALA 27 -4.766 2.013 -7.754
183 HA ALA 27 HA ALA 27 -5.891 2.152 -10.304
184 HB1 ALA 27 1HB ALA 27 -3.798 3.303 -9.559
185 HB2 ALA 27 2HB ALA 27 -2.968 1.739 -9.485
186 HB3 ALA 27 3HB ALA 27 -3.543 2.375 -11.037
187 H ARG 28 H ARG 28 -4.881 -0.678 -8.587
188 HA ARG 28 HA ARG 28 -4.786 -2.266 -11.062
189 HB3 ARG 28 2HB ARG 28 -2.581 -2.647 -9.105
190 HG3 ARG 28 2HG ARG 28 -3.071 -3.213 -11.996
191 HD3 ARG 28 2HD ARG 28 -0.304 -2.569 -10.919
192 HE ARG 28 HE ARG 28 -0.517 -2.567 -13.740
193 HH11 ARG 28 1HH1 ARG 28 -0.607 -5.069 -11.223
194 HH12 ARG 28 2HH1 ARG 28 -0.055 -6.283 -12.320
195 HH21 ARG 28 1HH2 ARG 28 0.383 -4.053 -15.014
196 HH22 ARG 28 2HH2 ARG 28 0.774 -5.674 -14.459
197 H LYS 29 H LYS 29 -5.394 -4.308 -10.751
198 HA LYS 29 HA LYS 29 -6.452 -5.033 -8.031
199 HB3 LYS 29 2HB LYS 29 -7.856 -5.083 -10.725
200 HG3 LYS 29 2HG LYS 29 -8.577 -6.433 -8.106
201 HD3 LYS 29 2HD LYS 29 -10.865 -6.726 -9.217
202 HE3 LYS 29 2HE LYS 29 -9.796 -4.555 -7.599
203 HZ1 LYS 29 3HZ LYS 29 -10.868 -3.120 -9.234
204 HZ2 LYS 29 1HZ LYS 29 -11.539 -3.059 -7.775
205 HZ3 LYS 29 2HZ LYS 29 -12.333 -3.866 -8.957
206 H GLY 30 H GLY 30 -5.083 -6.633 -7.461
207 HA2 GLY 30 1HA GLY 30 -4.362 -8.786 -9.349
208 HA3 GLY 30 2HA GLY 30 -3.801 -8.579 -7.676
209 H ASP 31 H ASP 31 -4.425 -10.860 -7.569
210 HA ASP 31 HA ASP 31 -7.065 -11.887 -7.644
211 HB3 ASP 31 2HB ASP 31 -4.590 -12.694 -6.047
212 H ALA 32 H ALA 32 -8.754 -11.672 -6.185
213 HA ALA 32 HA ALA 32 -8.594 -9.644 -4.207
214 HB1 ALA 32 1HB ALA 32 -10.868 -10.476 -3.514
215 HB2 ALA 32 2HB ALA 32 -10.718 -10.105 -5.226
216 HB3 ALA 32 3HB ALA 32 -10.691 -11.804 -4.675
217 H ARG 33 H ARG 33 -7.956 -13.105 -3.854
218 HA ARG 33 HA ARG 33 -8.410 -12.992 -0.906
219 HB3 ARG 33 2HB ARG 33 -7.673 -15.423 -1.112
220 HG3 ARG 33 2HG ARG 33 -10.089 -14.672 -0.930
221 HD3 ARG 33 2HD ARG 33 -10.090 -15.408 -3.893
222 HE ARG 33 HE ARG 33 -12.132 -15.607 -1.845
223 HH11 ARG 33 1HH1 ARG 33 -11.704 -15.271 -5.389
224 HH12 ARG 33 2HH1 ARG 33 -13.370 -15.662 -5.668
225 HH21 ARG 33 1HH2 ARG 33 -14.193 -16.214 -2.330
226 HH22 ARG 33 2HH2 ARG 33 -14.876 -15.950 -3.928
227 H ALA 34 H ALA 34 -5.828 -13.761 -3.254
228 HA ALA 34 HA ALA 34 -3.859 -13.612 -0.998
229 HB1 ALA 34 1HB ALA 34 -4.372 -15.904 -1.784
230 HB2 ALA 34 2HB ALA 34 -3.873 -15.437 -3.431
231 HB3 ALA 34 3HB ALA 34 -2.692 -15.444 -2.106
232 H GLY 35 H GLY 35 -4.737 -11.877 -3.730
233 HA2 GLY 35 1HA GLY 35 -2.283 -11.542 -5.130
234 HA3 GLY 35 2HA GLY 35 -3.641 -10.405 -5.071
235 H ALA 36 H ALA 36 -0.525 -10.491 -4.509
236 HA ALA 36 HA ALA 36 -0.172 -9.184 -1.955
237 HB1 ALA 36 1HB ALA 36 2.060 -8.681 -2.911
238 HB2 ALA 36 2HB ALA 36 1.660 -10.389 -3.127
239 HB3 ALA 36 3HB ALA 36 1.527 -9.255 -4.500
240 H VAL 37 H VAL 37 0.519 -6.767 -1.864
241 HA VAL 37 HA VAL 37 -0.683 -5.048 -3.885
242 HB VAL 37 HB VAL 37 -2.406 -5.153 -2.354
243 HG11 VAL 37 1HG1 VAL 37 -1.989 -6.998 -1.484
244 HG12 VAL 37 2HG1 VAL 37 -0.915 -6.272 -0.230
245 HG13 VAL 37 3HG1 VAL 37 -2.676 -5.900 -0.325
246 HG21 VAL 37 3HG2 VAL 37 -2.679 -3.352 -1.035
247 HG22 VAL 37 1HG2 VAL 37 -0.912 -3.088 -0.962
248 HG23 VAL 37 2HG2 VAL 37 -1.788 -2.934 -2.487
249 H LEU 38 H LEU 38 0.461 -3.198 -4.247
250 HA LEU 38 HA LEU 38 2.500 -2.299 -2.283
251 HB3 LEU 38 2HB LEU 38 2.746 -0.479 -4.038
252 HG LEU 38 HG LEU 38 4.408 -1.568 -4.918
253 HD11 LEU 38 1HD1 LEU 38 4.796 -4.007 -4.723
254 HD12 LEU 38 2HD1 LEU 38 3.254 -4.167 -3.934
255 HD13 LEU 38 3HD1 LEU 38 4.491 -3.128 -3.201
256 HD21 LEU 38 3HD2 LEU 38 2.535 -3.309 -6.476
257 HD22 LEU 38 1HD2 LEU 38 4.294 -3.049 -6.733
258 HD23 LEU 38 2HD2 LEU 38 3.157 -1.705 -6.953
259 H VAL 39 H VAL 39 2.032 -0.685 -0.960
260 HA VAL 39 HA VAL 39 -0.249 1.084 -1.682
261 HB VAL 39 HB VAL 39 0.517 0.413 1.162
262 HG11 VAL 39 1HG1 VAL 39 -0.215 2.765 0.906
263 HG12 VAL 39 2HG1 VAL 39 -1.646 2.243 -0.000
264 HG13 VAL 39 3HG1 VAL 39 -1.480 1.844 1.717
265 HG21 VAL 39 3HG2 VAL 39 -0.784 -1.379 0.813
266 HG22 VAL 39 1HG2 VAL 39 -2.136 -0.247 0.934
267 HG23 VAL 39 2HG2 VAL 39 -1.531 -0.741 -0.651
268 H LYS 40 H LYS 40 0.966 2.570 -2.785
269 HA LYS 40 HA LYS 40 3.487 3.500 -1.525
270 HB3 LYS 40 2HB LYS 40 2.249 4.124 -4.224
271 HG3 LYS 40 2HG LYS 40 5.136 4.507 -3.884
272 HD3 LYS 40 2HD LYS 40 3.524 5.465 -5.754
273 HE3 LYS 40 2HE LYS 40 3.324 8.001 -5.057
274 HZ1 LYS 40 3HZ LYS 40 1.124 7.780 -4.458
275 HZ2 LYS 40 1HZ LYS 40 1.315 6.297 -3.745
276 HZ3 LYS 40 2HZ LYS 40 1.425 6.436 -5.375
277 H ALA 41 H ALA 41 3.392 5.245 -0.260
278 HA ALA 41 HA ALA 41 1.038 7.078 -0.343
279 HB1 ALA 41 1HB ALA 41 2.897 6.323 1.959
280 HB2 ALA 41 2HB ALA 41 1.576 7.493 2.043
281 HB3 ALA 41 3HB ALA 41 1.208 5.777 1.761
282 H VAL 42 H VAL 42 1.526 9.128 -0.897
283 HA VAL 42 HA VAL 42 4.338 10.035 -1.082
284 HB VAL 42 HB VAL 42 2.229 10.764 -2.544
285 HG11 VAL 42 1HG1 VAL 42 1.988 12.841 -0.391
286 HG12 VAL 42 2HG1 VAL 42 1.031 12.663 -1.877
287 HG13 VAL 42 3HG1 VAL 42 0.932 11.464 -0.556
288 HG21 VAL 42 3HG2 VAL 42 4.473 12.601 -1.564
289 HG22 VAL 42 1HG2 VAL 42 4.411 11.603 -3.003
290 HG23 VAL 42 2HG2 VAL 42 3.371 13.026 -2.888
291 H ASP 43 H ASP 43 4.908 11.956 0.304
292 HA ASP 43 HA ASP 43 3.085 12.537 2.573
293 HB3 ASP 43 2HB ASP 43 6.059 13.091 2.300
294 H ARG 44 H ARG 44 2.564 14.888 2.495
295 HA ARG 44 HA ARG 44 4.021 16.508 0.481
296 HB3 ARG 44 2HB ARG 44 1.886 17.688 -0.228
297 HG3 ARG 44 2HG ARG 44 1.225 16.007 -1.929
298 HD3 ARG 44 2HD ARG 44 3.490 15.541 -2.949
299 HE ARG 44 HE ARG 44 2.879 18.385 -2.229
300 HH11 ARG 44 1HH1 ARG 44 4.269 16.195 -4.689
301 HH12 ARG 44 2HH1 ARG 44 3.949 17.255 -5.997
302 HH21 ARG 44 1HH2 ARG 44 2.768 19.842 -3.834
303 HH22 ARG 44 2HH2 ARG 44 2.982 19.387 -5.524
304 H ARG 45 H ARG 45 4.333 16.250 3.265
305 HA ARG 45 HA ARG 45 3.806 19.058 4.069
306 HB3 ARG 45 2HB ARG 45 4.935 17.435 6.201
307 HG3 ARG 45 2HG ARG 45 2.344 18.878 5.670
308 HD3 ARG 45 2HD ARG 45 1.795 16.691 6.722
309 HE ARG 45 HE ARG 45 2.986 16.011 8.494
310 HH11 ARG 45 1HH1 ARG 45 2.586 19.487 9.087
311 HH12 ARG 45 2HH1 ARG 45 2.610 19.299 10.817
312 HH21 ARG 45 1HH2 ARG 45 2.937 15.757 10.609
313 HH22 ARG 45 2HH2 ARG 45 2.645 17.055 11.717
314 H GLU 46 H GLU 46 6.317 16.445 4.094
315 HA GLU 46 HA GLU 46 8.366 18.484 4.607
316 HB3 GLU 46 2HB GLU 46 9.801 16.432 4.846
317 HG3 GLU 46 2HG GLU 46 7.286 16.137 6.517
318 H GLY 47 H GLY 47 7.307 16.838 1.734
319 HA2 GLY 47 1HA GLY 47 8.198 17.289 -0.419
320 HA3 GLY 47 2HA GLY 47 9.824 17.343 0.266
321 H THR 48 H THR 48 7.953 14.751 1.713
322 HA THR 48 HA THR 48 9.949 12.968 0.551
323 HB THR 48 HB THR 48 8.766 11.539 2.568
324 HG1 THR 48 1HG THR 48 8.267 12.935 4.244
325 HG21 THR 48 3HG2 THR 48 10.859 13.697 2.886
326 HG22 THR 48 1HG2 THR 48 11.156 12.009 2.419
327 HG23 THR 48 2HG2 THR 48 10.543 12.386 4.046
328 H ALA 49 H ALA 49 9.316 10.602 0.462
329 HA ALA 49 HA ALA 49 6.660 10.018 -0.598
330 HB1 ALA 49 1HB ALA 49 7.736 9.108 -2.642
331 HB2 ALA 49 2HB ALA 49 7.998 10.844 -2.515
332 HB3 ALA 49 3HB ALA 49 9.310 9.722 -2.106
333 H ARG 50 H ARG 50 6.274 7.701 -0.341
334 HA ARG 50 HA ARG 50 8.517 6.060 0.708
335 HB3 ARG 50 2HB ARG 50 7.027 5.263 2.534
336 HG3 ARG 50 2HG ARG 50 7.190 8.304 2.709
337 HD3 ARG 50 2HD ARG 50 7.504 6.034 4.707
338 HE ARG 50 HE ARG 50 7.607 8.831 5.564
339 HH11 ARG 50 1HH1 ARG 50 9.665 6.096 4.510
340 HH12 ARG 50 2HH1 ARG 50 10.898 6.356 5.678
341 HH21 ARG 50 1HH2 ARG 50 9.440 9.369 6.923
342 HH22 ARG 50 2HH2 ARG 50 10.961 8.550 6.675
343 H LEU 51 H LEU 51 7.791 3.683 0.860
344 HA LEU 51 HA LEU 51 5.378 3.076 -0.662
345 HB3 LEU 51 2HB LEU 51 7.256 0.962 -1.190
346 HG LEU 51 HG LEU 51 5.411 2.709 -2.698
347 HD11 LEU 51 1HD1 LEU 51 6.472 2.225 -4.913
348 HD12 LEU 51 2HD1 LEU 51 7.951 1.755 -4.052
349 HD13 LEU 51 3HD1 LEU 51 7.326 3.413 -3.937
350 HD21 LEU 51 3HD2 LEU 51 4.965 0.697 -3.929
351 HD22 LEU 51 1HD2 LEU 51 5.095 0.247 -2.218
352 HD23 LEU 51 2HD2 LEU 51 6.469 -0.065 -3.329
353 H PHE 52 H PHE 52 4.355 1.191 0.016
354 HA PHE 52 HA PHE 52 5.702 -0.427 2.119
355 HB3 PHE 52 2HB PHE 52 3.578 -0.789 3.199
356 HD1 PHE 52 1HD PHE 52 5.592 0.559 4.386
357 HD2 PHE 52 2HD PHE 52 2.070 2.335 2.681
358 HE1 PHE 52 1HE PHE 52 5.816 2.518 5.945
359 HE2 PHE 52 2HE PHE 52 2.445 4.376 4.059
360 HZ PHE 52 HZ PHE 52 4.283 4.444 5.716
361 H SER 53 H SER 53 5.214 -2.692 1.891
362 HA SER 53 HA SER 53 3.389 -3.490 -0.257
363 HB3 SER 53 2HB SER 53 5.947 -5.037 0.098
364 HG SER 53 HG SER 53 4.291 -5.768 -1.350
365 H GLU 54 H GLU 54 2.603 -5.758 0.242
366 HA GLU 54 HA GLU 54 2.271 -6.022 3.099
367 HB3 GLU 54 2HB GLU 54 0.457 -6.677 1.656
368 HG3 GLU 54 2HG GLU 54 2.415 -8.731 0.620
369 H ALA 55 H ALA 55 2.833 -7.921 4.329
370 HA ALA 55 HA ALA 55 5.181 -9.499 3.546
371 HB1 ALA 55 1HB ALA 55 6.023 -7.354 4.485
372 HB2 ALA 55 2HB ALA 55 5.070 -7.627 5.949
373 HB3 ALA 55 3HB ALA 55 6.398 -8.743 5.533
374 H THR 56 H THR 56 5.221 -11.422 4.894
375 HA THR 56 HA THR 56 2.981 -11.699 6.803
376 HB THR 56 HB THR 56 3.315 -14.100 5.332
377 HG1 THR 56 1HG THR 56 3.911 -12.666 3.552
378 HG21 THR 56 3HG2 THR 56 1.314 -13.393 6.604
379 HG22 THR 56 1HG2 THR 56 0.889 -13.841 4.943
380 HG23 THR 56 2HG2 THR 56 0.989 -12.135 5.393
381 H ARG 57 H ARG 57 3.575 -12.617 8.618
382 HA ARG 57 HA ARG 57 6.409 -13.279 8.719
383 HB3 ARG 57 2HB ARG 57 5.004 -11.685 10.124
384 HG3 ARG 57 2HG ARG 57 4.703 -14.167 11.866
385 HD3 ARG 57 2HD ARG 57 3.406 -12.569 13.258
386 HE ARG 57 HE ARG 57 6.248 -12.393 12.932
387 HH11 ARG 57 1HH1 ARG 57 3.505 -10.813 14.560
388 HH12 ARG 57 2HH1 ARG 57 4.484 -10.159 15.849
389 HH21 ARG 57 1HH2 ARG 57 7.512 -11.248 14.315
390 HH22 ARG 57 2HH2 ARG 57 6.894 -10.549 15.798
391 H GLY 58 H GLY 58 6.818 -15.034 10.721
392 HA2 GLY 58 1HA GLY 58 6.662 -17.484 9.354
393 HA3 GLY 58 2HA GLY 58 7.122 -17.255 11.044
394 H ASP 59 H ASP 59 4.051 -16.063 10.996
395 HA ASP 59 HA ASP 59 2.798 -18.743 11.295
396 HB3 ASP 59 2HB ASP 59 1.404 -16.744 12.886
397 H GLY 60 H GLY 60 2.915 -16.377 9.138
398 HA2 GLY 60 1HA GLY 60 1.481 -15.823 7.442
399 HA3 GLY 60 2HA GLY 60 0.184 -16.739 8.216
400 H GLU 61 H GLU 61 1.828 -14.236 10.152
401 HA GLU 61 HA GLU 61 -0.734 -12.754 10.279
402 HB3 GLU 61 2HB GLU 61 1.905 -12.015 11.527
403 HG3 GLU 61 2HG GLU 61 -0.919 -11.324 12.280
404 H ARG 62 H ARG 62 -1.087 -11.298 8.685
405 HA ARG 62 HA ARG 62 1.145 -10.467 7.003
406 HB3 ARG 62 2HB ARG 62 -1.784 -9.727 6.777
407 HG3 ARG 62 2HG ARG 62 -0.819 -10.281 4.251
408 HD3 ARG 62 2HD ARG 62 -0.402 -7.432 4.979
409 HE ARG 62 HE ARG 62 -1.009 -8.613 2.647
410 HH11 ARG 62 1HH1 ARG 62 -3.147 -6.688 4.654
411 HH12 ARG 62 2HH1 ARG 62 -4.505 -6.844 3.591
412 HH21 ARG 62 1HH2 ARG 62 -2.429 -8.455 1.118
413 HH22 ARG 62 2HH2 ARG 62 -4.000 -7.716 1.276
414 H PHE 63 H PHE 63 1.824 -8.302 6.705
415 HA PHE 63 HA PHE 63 0.809 -6.157 8.392
416 HB3 PHE 63 2HB PHE 63 2.419 -7.154 9.894
417 HD1 PHE 63 2HD PHE 63 3.370 -9.294 8.703
418 HD2 PHE 63 1HD PHE 63 5.338 -5.404 8.502
419 HE1 PHE 63 2HE PHE 63 5.570 -10.368 8.386
420 HE2 PHE 63 1HE PHE 63 7.475 -6.528 8.325
421 HZ PHE 63 HZ PHE 63 7.623 -8.989 8.253
422 H TRP 64 H TRP 64 2.534 -4.230 7.801
423 HA TRP 64 HA TRP 64 3.082 -4.371 4.872
424 HB3 TRP 64 2HB TRP 64 2.625 -1.954 4.818
425 HD1 TRP 64 HD TRP 64 -0.264 -2.641 7.078
426 HE1 TRP 64 1HE TRP 64 -2.369 -3.186 5.710
427 HE3 TRP 64 3HE TRP 64 1.878 -3.136 2.482
428 HZ2 TRP 64 2HZ TRP 64 -2.992 -4.006 2.982
429 HZ3 TRP 64 3HZ TRP 64 0.561 -3.891 0.549
430 HH2 TRP 64 HH TRP 64 -1.888 -4.315 0.735
431 H MET 65 H MET 65 5.174 -4.517 4.687
432 HA MET 65 HA MET 65 7.026 -3.202 6.614
433 HB3 MET 65 2HB MET 65 7.093 -5.720 6.217
434 HG3 MET 65 2HG MET 65 8.641 -4.858 3.769
435 HE1 MET 65 3HE MET 65 10.497 -6.080 5.437
436 HE2 MET 65 1HE MET 65 9.322 -6.861 6.535
437 HE3 MET 65 2HE MET 65 10.530 -7.857 5.698
438 H GLN 66 H GLN 66 9.175 -2.673 5.579
439 HA GLN 66 HA GLN 66 8.732 -1.181 3.096
440 HB3 GLN 66 2HB GLN 66 10.735 0.151 3.873
441 HG3 GLN 66 2HG GLN 66 9.046 0.600 6.207
442 HE21 GLN 66 1HE2 GLN 66 7.180 2.331 4.573
443 HE22 GLN 66 2HE2 GLN 66 8.171 3.681 4.033
444 HA PRO 67 HA PRO 67 11.766 -4.296 1.653
445 HB3 PRO 67 2HB PRO 67 10.051 -5.497 0.590
446 HG3 PRO 67 2HG PRO 67 8.132 -4.343 -0.318
447 HD3 PRO 67 2HD PRO 67 8.286 -3.960 2.021
448 H VAL 68 H VAL 68 10.589 -1.116 0.465
449 HA VAL 68 HA VAL 68 12.567 -1.065 -1.665
450 HB VAL 68 HB VAL 68 10.933 1.334 -0.799
451 HG11 VAL 68 1HG1 VAL 68 11.158 1.861 -3.215
452 HG12 VAL 68 2HG1 VAL 68 12.742 1.652 -2.458
453 HG13 VAL 68 3HG1 VAL 68 12.058 0.361 -3.466
454 HG21 VAL 68 3HG2 VAL 68 9.223 -0.329 -1.031
455 HG22 VAL 68 1HG2 VAL 68 9.277 0.527 -2.582
456 HG23 VAL 68 2HG2 VAL 68 10.029 -1.065 -2.423
457 H ARG 69 H ARG 69 14.619 -0.680 -1.230
458 HA ARG 69 HA ARG 69 15.427 0.341 1.386
459 HB3 ARG 69 2HB ARG 69 17.301 -0.475 -0.870
460 HG3 ARG 69 2HG ARG 69 18.244 -1.829 1.129
461 HD3 ARG 69 2HD ARG 69 18.504 1.173 1.475
462 HE ARG 69 HE ARG 69 19.519 -0.720 3.041
463 HH11 ARG 69 1HH1 ARG 69 21.171 1.509 0.779
464 HH12 ARG 69 2HH1 ARG 69 22.741 1.073 1.313
465 HH21 ARG 69 1HH2 ARG 69 21.552 -1.226 3.776
466 HH22 ARG 69 2HH2 ARG 69 22.918 -0.246 3.364
467 H SER 70 H SER 70 14.059 2.343 0.088
468 HA SER 70 HA SER 70 15.893 4.536 -0.099
469 HB3 SER 70 2HB SER 70 14.660 4.939 -2.465
470 HG SER 70 HG SER 70 16.483 3.945 -3.484
471 H THR 71 H THR 71 14.721 6.495 -0.159
472 HA THR 71 HA THR 71 11.748 6.464 -0.098
473 HB THR 71 HB THR 71 12.109 8.675 1.142
474 HG1 THR 71 1HG THR 71 14.096 8.963 2.101
475 HG21 THR 71 3HG2 THR 71 12.464 7.610 3.329
476 HG22 THR 71 1HG2 THR 71 13.084 6.141 2.544
477 HG23 THR 71 2HG2 THR 71 11.389 6.635 2.317
478 H PHE 72 H PHE 72 14.306 6.879 -2.112
479 HA PHE 72 HA PHE 72 13.914 9.409 -3.296
480 HB3 PHE 72 2HB PHE 72 14.851 7.645 -5.303
481 HD1 PHE 72 1HD PHE 72 15.032 10.526 -4.937
482 HD2 PHE 72 2HD PHE 72 17.734 7.400 -3.681
483 HE1 PHE 72 1HE PHE 72 16.895 12.132 -4.975
484 HE2 PHE 72 2HE PHE 72 19.611 9.009 -3.786
485 HZ PHE 72 HZ PHE 72 19.207 11.377 -4.427
486 H GLU 73 H GLU 73 12.178 10.105 -4.320
487 HA GLU 73 HA GLU 73 9.955 9.027 -5.363
488 HB3 GLU 73 2HB GLU 73 10.890 10.859 -7.354
489 HG3 GLU 73 2HG GLU 73 9.258 11.265 -4.824
490 HA PRO 74 HA PRO 74 11.787 7.810 -9.620
491 HB3 PRO 74 2HB PRO 74 13.799 8.686 -10.198
492 HG3 PRO 74 2HG PRO 74 15.339 9.392 -8.574
493 HD3 PRO 74 2HD PRO 74 13.214 10.292 -8.002
494 H ASP 75 H ASP 75 13.469 6.359 -6.790
495 HA ASP 75 HA ASP 75 13.551 3.670 -7.761
496 HB3 ASP 75 2HB ASP 75 13.797 3.112 -5.304
497 H LEU 76 H LEU 76 11.159 5.660 -6.168
498 HA LEU 76 HA LEU 76 9.620 3.488 -5.101
499 HB3 LEU 76 2HB LEU 76 7.970 5.423 -4.601
500 HG LEU 76 HG LEU 76 10.872 5.569 -3.637
501 HD11 LEU 76 1HD1 LEU 76 9.998 6.992 -1.812
502 HD12 LEU 76 2HD1 LEU 76 8.396 6.971 -2.579
503 HD13 LEU 76 3HD1 LEU 76 9.772 7.760 -3.390
504 HD21 LEU 76 3HD2 LEU 76 9.689 3.530 -2.942
505 HD22 LEU 76 1HD2 LEU 76 8.400 4.544 -2.262
506 HD23 LEU 76 2HD2 LEU 76 10.044 4.600 -1.585
507 H ASP 77 H ASP 77 8.925 5.845 -7.763
508 HA ASP 77 HA ASP 77 6.547 4.399 -8.609
509 HB3 ASP 77 2HB ASP 77 8.294 6.115 -10.397
510 H ALA 78 H ALA 78 10.036 4.222 -9.468
511 HA ALA 78 HA ALA 78 9.818 2.243 -11.488
512 HB1 ALA 78 1HB ALA 78 12.070 2.622 -9.470
513 HB2 ALA 78 2HB ALA 78 12.148 1.698 -10.984
514 HB3 ALA 78 3HB ALA 78 11.921 3.452 -11.039
515 H TYR 79 H TYR 79 9.949 1.841 -7.881
516 HA TYR 79 HA TYR 79 10.094 -0.986 -7.871
517 HB3 TYR 79 2HB TYR 79 8.537 0.727 -5.912
518 HD1 TYR 79 1HD TYR 79 6.977 -1.103 -5.445
519 HD2 TYR 79 2HD TYR 79 11.245 -1.667 -5.098
520 HE1 TYR 79 1HE TYR 79 6.599 -3.158 -4.193
521 HE2 TYR 79 2HE TYR 79 10.871 -3.706 -3.767
522 HH TYR 79 HH TYR 79 9.201 -5.282 -3.088
523 H ALA 80 H ALA 80 7.266 1.218 -7.924
524 HA ALA 80 HA ALA 80 5.319 -0.848 -7.751
525 HB1 ALA 80 1HB ALA 80 4.795 1.511 -7.284
526 HB2 ALA 80 2HB ALA 80 5.053 1.920 -8.995
527 HB3 ALA 80 3HB ALA 80 3.713 0.849 -8.531
528 H GLU 81 H GLU 81 6.982 0.601 -10.589
529 HA GLU 81 HA GLU 81 5.465 -0.804 -12.609
530 HB3 GLU 81 2HB GLU 81 7.533 -0.399 -13.979
531 HG3 GLU 81 2HG GLU 81 6.669 2.126 -12.517
532 H ARG 82 H ARG 82 8.431 -1.401 -10.751
533 HA ARG 82 HA ARG 82 9.344 -3.524 -12.243
534 HB3 ARG 82 2HB ARG 82 10.006 -3.024 -9.292
535 HG3 ARG 82 2HG ARG 82 11.261 -4.780 -11.256
536 HD3 ARG 82 2HD ARG 82 13.603 -3.949 -10.674
537 HE ARG 82 HE ARG 82 11.926 -2.415 -12.607
538 HH11 ARG 82 1HH1 ARG 82 15.180 -3.543 -11.757
539 HH12 ARG 82 2HH1 ARG 82 15.861 -3.198 -13.313
540 HH21 ARG 82 1HH2 ARG 82 12.741 -2.316 -14.750
541 HH22 ARG 82 2HH2 ARG 82 14.435 -2.593 -15.047
542 H ALA 83 H ALA 83 7.915 -3.607 -9.013
543 HA ALA 83 HA ALA 83 7.778 -6.424 -8.670
544 HB1 ALA 83 1HB ALA 83 7.474 -4.830 -6.820
545 HB2 ALA 83 2HB ALA 83 5.992 -4.212 -7.557
546 HB3 ALA 83 3HB ALA 83 6.052 -5.885 -6.947
547 H ALA 84 H ALA 84 5.503 -4.146 -10.182
548 HA ALA 84 HA ALA 84 3.479 -6.152 -10.757
549 HB1 ALA 84 1HB ALA 84 2.312 -4.256 -11.795
550 HB2 ALA 84 2HB ALA 84 2.914 -3.830 -10.182
551 HB3 ALA 84 3HB ALA 84 3.762 -3.262 -11.645
552 H ARG 85 H ARG 85 6.306 -6.333 -12.020
553 HA ARG 85 HA ARG 85 5.183 -7.137 -14.690
554 HB3 ARG 85 2HB ARG 85 7.777 -7.208 -15.216
555 HG3 ARG 85 2HG ARG 85 6.144 -4.645 -15.078
556 HD3 ARG 85 2HD ARG 85 8.892 -5.286 -16.210
557 HE ARG 85 HE ARG 85 7.899 -2.622 -16.720
558 HH11 ARG 85 1HH1 ARG 85 7.967 -5.929 -18.080
559 HH12 ARG 85 2HH1 ARG 85 7.801 -5.395 -19.714
560 HH21 ARG 85 1HH2 ARG 85 7.661 -1.934 -18.907
561 HH22 ARG 85 2HH2 ARG 85 7.723 -3.085 -20.188
562 H ILE 86 H ILE 86 6.620 -8.190 -11.699
563 HA ILE 86 HA ILE 86 7.014 -10.888 -12.939
564 HB ILE 86 HB ILE 86 8.375 -9.911 -10.414
565 HG13 ILE 86 2HG1 ILE 86 9.366 -9.883 -13.288
566 HG21 ILE 86 1HG2 ILE 86 9.794 -11.955 -10.903
567 HG22 ILE 86 2HG2 ILE 86 8.142 -12.302 -10.447
568 HG23 ILE 86 3HG2 ILE 86 8.618 -12.414 -12.146
569 HD11 ILE 86 3HD1 ILE 86 9.735 -7.978 -10.947
570 HD12 ILE 86 1HD1 ILE 86 10.593 -7.867 -12.499
571 HD13 ILE 86 2HD1 ILE 86 8.853 -7.690 -12.471
572 H ASP 87 H ASP 87 5.405 -9.185 -10.179
573 HA ASP 87 HA ASP 87 4.479 -11.663 -9.002
574 HB3 ASP 87 2HB ASP 87 2.519 -10.000 -8.330
575 HA PRO 88 HA PRO 88 1.742 -12.869 -12.147
576 HB3 PRO 88 2HB PRO 88 1.641 -14.938 -11.146
577 HG3 PRO 88 2HG PRO 88 1.642 -15.152 -8.783
578 HD3 PRO 88 2HD PRO 88 3.444 -13.741 -9.249
579 H ASP 89 H ASP 89 0.218 -11.540 -9.178
580 HA ASP 89 HA ASP 89 -1.530 -9.829 -10.678
581 HB3 ASP 89 2HB ASP 89 -3.400 -11.015 -9.011
582 H ILE 90 H ILE 90 -0.433 -8.282 -9.604
583 HA ILE 90 HA ILE 90 -0.639 -8.144 -6.650
584 HB ILE 90 HB ILE 90 1.596 -8.148 -7.560
585 HG13 ILE 90 2HG1 ILE 90 1.136 -6.981 -5.477
586 HG21 ILE 90 1HG2 ILE 90 0.934 -5.527 -8.961
587 HG22 ILE 90 2HG2 ILE 90 2.521 -6.307 -8.873
588 HG23 ILE 90 3HG2 ILE 90 1.224 -7.089 -9.771
589 HD11 ILE 90 3HD1 ILE 90 3.335 -5.469 -6.900
590 HD12 ILE 90 1HD1 ILE 90 3.212 -5.936 -5.202
591 HD13 ILE 90 2HD1 ILE 90 3.487 -7.182 -6.427
592 H TRP 91 H TRP 91 -1.487 -6.298 -5.633
593 HA TRP 91 HA TRP 91 -3.306 -4.619 -7.231
594 HB3 TRP 91 2HB TRP 91 -3.857 -4.021 -4.705
595 HD1 TRP 91 HD TRP 91 -3.520 -7.828 -5.005
596 HE1 TRP 91 1HE TRP 91 -5.829 -8.879 -5.051
597 HE3 TRP 91 3HE TRP 91 -6.240 -3.579 -5.254
598 HZ2 TRP 91 2HZ TRP 91 -8.625 -7.920 -5.341
599 HZ3 TRP 91 3HZ TRP 91 -8.744 -3.629 -5.396
600 HH2 TRP 91 HH TRP 91 -9.928 -5.826 -5.396
601 H VAL 92 H VAL 92 -3.362 -2.291 -6.740
602 HA VAL 92 HA VAL 92 -0.891 -1.103 -5.609
603 HB VAL 92 HB VAL 92 -2.301 -0.313 -8.185
604 HG11 VAL 92 1HG1 VAL 92 -1.609 1.677 -6.952
605 HG12 VAL 92 2HG1 VAL 92 0.042 1.049 -6.809
606 HG13 VAL 92 3HG1 VAL 92 -0.620 1.480 -8.402
607 HG21 VAL 92 3HG2 VAL 92 0.619 -1.075 -7.818
608 HG22 VAL 92 1HG2 VAL 92 -0.609 -2.198 -8.434
609 HG23 VAL 92 2HG2 VAL 92 -0.257 -0.720 -9.337
610 H VAL 93 H VAL 93 -1.462 0.450 -4.163
611 HA VAL 93 HA VAL 93 -4.177 1.625 -4.228
612 HB VAL 93 HB VAL 93 -2.704 0.666 -1.757
613 HG11 VAL 93 1HG1 VAL 93 -5.626 1.372 -1.820
614 HG12 VAL 93 2HG1 VAL 93 -4.437 1.442 -0.491
615 HG13 VAL 93 3HG1 VAL 93 -4.423 2.666 -1.755
616 HG21 VAL 93 3HG2 VAL 93 -3.484 -1.339 -2.934
617 HG22 VAL 93 1HG2 VAL 93 -4.452 -1.056 -1.486
618 HG23 VAL 93 2HG2 VAL 93 -5.103 -0.633 -3.088
619 H GLU 94 H GLU 94 -3.484 3.594 -4.996
620 HA GLU 94 HA GLU 94 -0.979 4.757 -3.932
621 HB3 GLU 94 2HB GLU 94 -1.313 6.503 -5.614
622 HG3 GLU 94 2HG GLU 94 -1.031 5.215 -7.673
623 H ILE 95 H ILE 95 -1.071 6.160 -2.312
624 HA ILE 95 HA ILE 95 -3.624 7.535 -1.689
625 HB ILE 95 HB ILE 95 -1.383 7.197 0.302
626 HG13 ILE 95 2HG1 ILE 95 -2.365 5.252 1.338
627 HG21 ILE 95 1HG2 ILE 95 -3.082 8.802 0.906
628 HG22 ILE 95 2HG2 ILE 95 -4.387 7.652 0.582
629 HG23 ILE 95 3HG2 ILE 95 -3.297 7.387 1.949
630 HD11 ILE 95 3HD1 ILE 95 -3.902 3.789 0.223
631 HD12 ILE 95 1HD1 ILE 95 -4.712 5.332 0.532
632 HD13 ILE 95 2HD1 ILE 95 -4.140 4.926 -1.109
633 H GLU 96 H GLU 96 -3.438 9.733 -1.647
634 HA GLU 96 HA GLU 96 -0.710 10.874 -1.605
635 HB3 GLU 96 2HB GLU 96 -1.517 12.887 -2.867
636 HG3 GLU 96 2HG GLU 96 -1.366 10.260 -4.401
637 H ASP 97 H ASP 97 -0.521 11.581 0.430
638 HA ASP 97 HA ASP 97 -2.650 13.299 1.589
639 HB3 ASP 97 2HB ASP 97 -1.275 10.967 2.970
640 H ARG 98 H ARG 98 -1.833 14.614 3.345
641 HA ARG 98 HA ARG 98 0.790 15.736 2.703
642 HB3 ARG 98 2HB ARG 98 0.230 17.450 4.358
643 HG3 ARG 98 2HG ARG 98 -2.118 16.872 2.502
644 HD3 ARG 98 2HD ARG 98 -1.621 19.362 1.918
645 HE ARG 98 HE ARG 98 -3.600 18.646 3.230
646 HH11 ARG 98 1HH1 ARG 98 -1.156 20.873 4.591
647 HH12 ARG 98 2HH1 ARG 98 -2.310 21.595 5.666
648 HH21 ARG 98 1HH2 ARG 98 -5.093 19.788 4.616
649 HH22 ARG 98 2HH2 ARG 98 -4.393 20.646 5.948
650 H ASP 99 H ASP 99 -0.470 13.966 5.614
651 HA ASP 99 HA ASP 99 2.257 14.338 6.785
652 HB3 ASP 99 2HB ASP 99 -0.175 13.152 8.162
653 H GLY 100 H GLY 100 2.170 12.759 4.537
654 HA2 GLY 100 1HA GLY 100 3.043 10.756 3.771
655 HA3 GLY 100 2HA GLY 100 3.478 10.429 5.435
656 H ARG 101 H ARG 101 0.046 10.875 5.125
657 HA ARG 101 HA ARG 101 0.098 8.356 6.465
658 HB3 ARG 101 2HB ARG 101 -2.558 9.662 6.119
659 HG3 ARG 101 2HG ARG 101 -2.395 9.875 8.593
660 HD3 ARG 101 2HD ARG 101 -1.732 7.053 7.647
661 HE ARG 101 HE ARG 101 -3.402 7.785 9.981
662 HH11 ARG 101 1HH1 ARG 101 -0.230 6.306 9.092
663 HH12 ARG 101 2HH1 ARG 101 -0.129 5.427 10.552
664 HH21 ARG 101 1HH2 ARG 101 -3.155 6.756 11.876
665 HH22 ARG 101 2HH2 ARG 101 -1.986 5.502 12.132
666 H HIS 102 H HIS 102 -0.973 6.518 6.038
667 HA HIS 102 HA HIS 102 -1.580 5.940 3.209
668 HB3 HIS 102 2HB HIS 102 0.315 4.799 4.003
669 HD1 HIS 102 1HD HIS 102 -2.061 3.216 6.701
670 HD2 HIS 102 2HD HIS 102 1.672 5.135 6.214
671 HE1 HIS 102 1HE HIS 102 -0.902 3.106 8.929
672 H PHE 103 H PHE 103 -3.141 6.030 6.283
673 HA PHE 103 HA PHE 103 -5.131 5.424 7.082
674 HB3 PHE 103 2HB PHE 103 -6.968 5.383 5.315
675 HD1 PHE 103 2HD PHE 103 -4.108 7.700 4.413
676 HD2 PHE 103 1HD PHE 103 -7.847 7.234 6.533
677 HE1 PHE 103 2HE PHE 103 -4.270 10.144 4.689
678 HE2 PHE 103 1HE PHE 103 -7.950 9.676 6.866
679 HZ PHE 103 HZ PHE 103 -6.180 11.151 5.909
680 H LEU 104 H LEU 104 -3.587 3.010 5.232
681 HA LEU 104 HA LEU 104 -5.026 0.735 5.564
682 HB3 LEU 104 2HB LEU 104 -2.777 -0.376 6.268
683 HG LEU 104 HG LEU 104 -2.842 1.377 3.777
684 HD11 LEU 104 1HD1 LEU 104 -0.699 -0.372 4.877
685 HD12 LEU 104 2HD1 LEU 104 -0.629 0.954 3.711
686 HD13 LEU 104 3HD1 LEU 104 -1.096 -0.650 3.173
687 HD21 LEU 104 3HD2 LEU 104 -3.416 -1.589 4.322
688 HD22 LEU 104 1HD2 LEU 104 -3.325 -0.885 2.708
689 HD23 LEU 104 2HD2 LEU 104 -4.582 -0.360 3.820
690 H THR 105 H THR 105 -5.805 -0.557 7.098
691 HA THR 105 HA THR 105 -6.153 0.589 9.728
692 HB THR 105 HB THR 105 -7.823 -0.418 8.114
693 HG1 THR 105 1HG THR 105 -7.854 -0.433 10.796
694 HG21 THR 105 3HG2 THR 105 -6.728 -2.665 7.789
695 HG22 THR 105 1HG2 THR 105 -8.435 -2.729 8.223
696 HG23 THR 105 2HG2 THR 105 -7.202 -3.074 9.444
697 H GLU 106 H GLU 106 -3.429 -0.824 9.030
698 HA GLU 106 HA GLU 106 -3.463 -3.032 11.042
699 HB3 GLU 106 2HB GLU 106 -1.994 -4.172 9.123
700 HG3 GLU 106 2HG GLU 106 -4.000 -4.774 7.853
701 HA PRO 107 HA PRO 107 0.444 -1.512 12.275
702 HB3 PRO 107 2HB PRO 107 0.525 -3.222 13.830
703 HG3 PRO 107 2HG PRO 107 -0.069 -5.450 13.231
704 HD3 PRO 107 2HD PRO 107 -1.951 -4.283 12.412
705 H VAL 108 H VAL 108 2.184 -0.704 11.280
706 HA VAL 108 HA VAL 108 3.287 -1.981 8.912
707 HB VAL 108 HB VAL 108 1.491 -0.785 8.093
708 HG11 VAL 108 1HG1 VAL 108 0.959 0.779 9.903
709 HG12 VAL 108 2HG1 VAL 108 2.301 1.830 9.344
710 HG13 VAL 108 3HG1 VAL 108 0.920 1.444 8.280
711 HG21 VAL 108 3HG2 VAL 108 2.602 0.601 6.469
712 HG22 VAL 108 1HG2 VAL 108 3.832 1.144 7.626
713 HG23 VAL 108 2HG2 VAL 108 3.809 -0.504 6.970
714 H GLU 109 H GLU 109 5.437 -1.740 8.659
715 HA GLU 109 HA GLU 109 6.973 -0.500 10.770
716 HB3 GLU 109 2HB GLU 109 8.776 -1.304 9.023
717 HG3 GLU 109 2HG GLU 109 7.292 -3.748 9.567
718 H SER 110 H SER 110 8.915 0.821 9.899
719 HA SER 110 HA SER 110 8.336 2.722 7.752
720 HB3 SER 110 2HB SER 110 9.132 3.786 10.502
721 HG SER 110 HG SER 110 8.558 5.750 9.550
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -10.983 -18.020 12.741
2 HA2 GLY 1 1HA GLY 1 -12.088 -16.122 13.776
3 HA3 GLY 1 2HA GLY 1 -10.422 -15.687 13.358
4 H MET 2 H MET 2 -10.326 -14.972 10.799
5 HA MET 2 HA MET 2 -12.578 -13.064 10.312
6 HB3 MET 2 2HB MET 2 -10.607 -11.790 10.648
7 HG3 MET 2 2HG MET 2 -9.225 -13.765 8.790
8 HE1 MET 2 3HE MET 2 -6.910 -12.246 11.183
9 HE2 MET 2 1HE MET 2 -6.283 -13.304 9.898
10 HE3 MET 2 2HE MET 2 -5.736 -11.624 10.013
11 H LEU 3 H LEU 3 -13.181 -12.720 8.131
12 HA LEU 3 HA LEU 3 -12.389 -14.659 6.070
13 HB3 LEU 3 2HB LEU 3 -15.294 -14.030 6.577
14 HG LEU 3 HG LEU 3 -15.724 -16.235 5.785
15 HD11 LEU 3 1HD1 LEU 3 -15.415 -14.518 4.021
16 HD12 LEU 3 2HD1 LEU 3 -15.043 -16.158 3.473
17 HD13 LEU 3 3HD1 LEU 3 -13.723 -15.024 3.834
18 HD21 LEU 3 3HD2 LEU 3 -12.758 -16.719 5.389
19 HD22 LEU 3 1HD2 LEU 3 -14.094 -17.860 5.164
20 HD23 LEU 3 2HD2 LEU 3 -13.669 -17.295 6.789
21 H LEU 4 H LEU 4 -11.280 -12.431 5.923
22 HA LEU 4 HA LEU 4 -12.879 -10.482 4.342
23 HB3 LEU 4 2HB LEU 4 -10.556 -9.262 4.578
24 HG LEU 4 HG LEU 4 -11.054 -8.329 6.816
25 HD11 LEU 4 1HD1 LEU 4 -11.939 -7.442 4.702
26 HD12 LEU 4 2HD1 LEU 4 -12.989 -7.120 6.080
27 HD13 LEU 4 3HD1 LEU 4 -13.412 -8.417 4.937
28 HD21 LEU 4 3HD2 LEU 4 -13.080 -8.805 8.004
29 HD22 LEU 4 1HD2 LEU 4 -12.090 -10.260 7.914
30 HD23 LEU 4 2HD2 LEU 4 -13.508 -10.087 6.865
31 H SER 5 H SER 5 -11.879 -9.668 2.352
32 HA SER 5 HA SER 5 -10.066 -11.579 0.994
33 HB3 SER 5 2HB SER 5 -11.566 -11.792 -0.679
34 HG SER 5 HG SER 5 -13.338 -12.138 0.414
35 H THR 6 H THR 6 -8.758 -10.495 -0.787
36 HA THR 6 HA THR 6 -7.504 -8.225 0.026
37 HB THR 6 HB THR 6 -7.762 -9.057 -2.860
38 HG1 THR 6 1HG THR 6 -5.683 -10.146 -1.514
39 HG21 THR 6 3HG2 THR 6 -5.382 -8.344 -2.904
40 HG22 THR 6 1HG2 THR 6 -5.489 -7.896 -1.194
41 HG23 THR 6 2HG2 THR 6 -6.438 -7.008 -2.410
42 H ASP 7 H ASP 7 -10.148 -8.381 -2.408
43 HA ASP 7 HA ASP 7 -10.200 -5.610 -3.057
44 HB3 ASP 7 2HB ASP 7 -12.408 -7.703 -3.073
45 H ILE 8 H ILE 8 -11.555 -7.332 -0.274
46 HA ILE 8 HA ILE 8 -13.471 -5.348 0.458
47 HB ILE 8 HB ILE 8 -12.183 -7.426 2.243
48 HG13 ILE 8 2HG1 ILE 8 -14.101 -8.775 1.831
49 HG21 ILE 8 1HG2 ILE 8 -13.241 -5.746 3.591
50 HG22 ILE 8 2HG2 ILE 8 -14.575 -5.559 2.437
51 HG23 ILE 8 3HG2 ILE 8 -14.468 -7.023 3.441
52 HD11 ILE 8 3HD1 ILE 8 -15.545 -8.542 -0.071
53 HD12 ILE 8 1HD1 ILE 8 -15.795 -7.176 1.035
54 HD13 ILE 8 2HD1 ILE 8 -14.853 -6.955 -0.467
55 H TRP 9 H TRP 9 -10.130 -6.097 1.635
56 HA TRP 9 HA TRP 9 -10.184 -3.976 3.583
57 HB3 TRP 9 2HB TRP 9 -7.734 -4.213 3.632
58 HD1 TRP 9 HD TRP 9 -9.749 -5.318 5.698
59 HE1 TRP 9 1HE TRP 9 -9.269 -7.528 6.874
60 HE3 TRP 9 3HE TRP 9 -7.241 -7.602 1.954
61 HZ2 TRP 9 2HZ TRP 9 -7.923 -10.051 6.232
62 HZ3 TRP 9 3HZ TRP 9 -6.607 -10.023 2.130
63 HH2 TRP 9 HH TRP 9 -6.889 -11.220 4.276
64 H VAL 10 H VAL 10 -8.921 -4.199 0.212
65 HA VAL 10 HA VAL 10 -7.803 -1.585 0.130
66 HB VAL 10 HB VAL 10 -8.981 -3.358 -2.057
67 HG11 VAL 10 1HG1 VAL 10 -9.056 -1.104 -2.926
68 HG12 VAL 10 2HG1 VAL 10 -7.454 -0.727 -2.268
69 HG13 VAL 10 3HG1 VAL 10 -7.626 -1.872 -3.612
70 HG21 VAL 10 3HG2 VAL 10 -6.601 -3.813 -2.575
71 HG22 VAL 10 1HG2 VAL 10 -6.095 -2.777 -1.223
72 HG23 VAL 10 2HG2 VAL 10 -6.968 -4.281 -0.917
73 H ALA 11 H ALA 11 -11.141 -2.769 -0.663
74 HA ALA 11 HA ALA 11 -12.180 -0.299 -1.389
75 HB1 ALA 11 1HB ALA 11 -13.399 -2.425 -1.704
76 HB2 ALA 11 2HB ALA 11 -13.565 -2.657 0.052
77 HB3 ALA 11 3HB ALA 11 -14.399 -1.312 -0.748
78 H ALA 12 H ALA 12 -12.069 -1.780 1.873
79 HA ALA 12 HA ALA 12 -13.369 0.341 3.299
80 HB1 ALA 12 1HB ALA 12 -12.144 -0.627 5.267
81 HB2 ALA 12 2HB ALA 12 -13.070 -1.834 4.356
82 HB3 ALA 12 3HB ALA 12 -11.305 -1.740 4.171
83 H LEU 13 H LEU 13 -9.912 -0.309 2.767
84 HA LEU 13 HA LEU 13 -8.818 1.883 4.102
85 HB3 LEU 13 2HB LEU 13 -7.968 0.037 1.894
86 HG LEU 13 HG LEU 13 -6.855 2.131 1.207
87 HD11 LEU 13 1HD1 LEU 13 -5.295 3.285 2.637
88 HD12 LEU 13 2HD1 LEU 13 -5.471 2.074 3.919
89 HD13 LEU 13 3HD1 LEU 13 -6.787 3.203 3.558
90 HD21 LEU 13 3HD2 LEU 13 -4.578 1.142 1.294
91 HD22 LEU 13 1HD2 LEU 13 -5.794 -0.102 0.977
92 HD23 LEU 13 2HD2 LEU 13 -5.079 0.063 2.597
93 H ILE 14 H ILE 14 -9.806 1.724 0.609
94 HA ILE 14 HA ILE 14 -9.256 4.529 0.208
95 HB ILE 14 HB ILE 14 -10.851 2.453 -1.332
96 HG13 ILE 14 2HG1 ILE 14 -8.919 2.440 -2.836
97 HG21 ILE 14 1HG2 ILE 14 -10.438 4.108 -3.297
98 HG22 ILE 14 2HG2 ILE 14 -11.748 4.435 -2.190
99 HG23 ILE 14 3HG2 ILE 14 -10.233 5.346 -2.058
100 HD11 ILE 14 3HD1 ILE 14 -8.041 4.809 -2.043
101 HD12 ILE 14 1HD1 ILE 14 -7.302 3.909 -0.709
102 HD13 ILE 14 2HD1 ILE 14 -6.858 3.540 -2.377
103 H ARG 15 H ARG 15 -12.115 2.769 1.286
104 HA ARG 15 HA ARG 15 -13.891 5.062 1.328
105 HB3 ARG 15 2HB ARG 15 -15.149 3.568 3.055
106 HG3 ARG 15 2HG ARG 15 -15.765 1.874 1.186
107 HD3 ARG 15 2HD ARG 15 -16.271 4.782 1.370
108 HE ARG 15 HE ARG 15 -16.118 3.702 -1.266
109 HH11 ARG 15 1HH1 ARG 15 -18.142 5.835 0.738
110 HH12 ARG 15 2HH1 ARG 15 -18.180 7.056 -0.506
111 HH21 ARG 15 1HH2 ARG 15 -16.617 5.073 -2.933
112 HH22 ARG 15 2HH2 ARG 15 -17.419 6.602 -2.626
113 H ARG 16 H ARG 16 -11.240 4.093 3.443
114 HA ARG 16 HA ARG 16 -12.126 6.031 5.528
115 HB3 ARG 16 2HB ARG 16 -9.999 5.072 6.626
116 HG3 ARG 16 2HG ARG 16 -12.229 3.187 5.834
117 HD3 ARG 16 2HD ARG 16 -9.501 2.427 6.845
118 HE ARG 16 HE ARG 16 -11.500 2.138 8.587
119 HH11 ARG 16 1HH1 ARG 16 -9.835 -0.486 6.690
120 HH12 ARG 16 2HH1 ARG 16 -10.105 -1.611 7.973
121 HH21 ARG 16 1HH2 ARG 16 -11.572 0.586 10.254
122 HH22 ARG 16 2HH2 ARG 16 -11.086 -1.049 9.912
123 H ALA 17 H ALA 17 -9.517 5.709 3.066
124 HA ALA 17 HA ALA 17 -7.873 7.737 4.141
125 HB1 ALA 17 1HB ALA 17 -7.038 6.187 2.452
126 HB2 ALA 17 2HB ALA 17 -8.230 6.799 1.272
127 HB3 ALA 17 3HB ALA 17 -6.921 7.858 1.841
128 H GLU 18 H GLU 18 -10.148 7.985 1.347
129 HA GLU 18 HA GLU 18 -9.590 10.716 0.888
130 HB3 GLU 18 2HB GLU 18 -11.800 10.647 -0.371
131 HG3 GLU 18 2HG GLU 18 -9.917 8.375 -1.138
132 H LEU 19 H LEU 19 -11.908 9.209 3.027
133 HA LEU 19 HA LEU 19 -13.615 11.269 3.820
134 HB3 LEU 19 2HB LEU 19 -13.168 9.866 6.165
135 HG LEU 19 HG LEU 19 -14.443 8.450 3.826
136 HD11 LEU 19 1HD1 LEU 19 -15.021 8.287 6.828
137 HD12 LEU 19 2HD1 LEU 19 -13.941 7.179 5.980
138 HD13 LEU 19 3HD1 LEU 19 -15.647 7.230 5.538
139 HD21 LEU 19 3HD2 LEU 19 -15.742 10.400 5.759
140 HD22 LEU 19 1HD2 LEU 19 -16.612 9.304 4.666
141 HD23 LEU 19 2HD2 LEU 19 -15.612 10.581 3.987
142 H GLY 20 H GLY 20 -10.233 10.845 4.507
143 HA2 GLY 20 1HA GLY 20 -9.924 12.618 6.741
144 HA3 GLY 20 2HA GLY 20 -8.682 12.078 5.623
145 H GLY 21 H GLY 21 -10.512 13.190 3.355
146 HA2 GLY 21 1HA GLY 21 -10.575 15.210 2.135
147 HA3 GLY 21 2HA GLY 21 -9.820 16.079 3.494
148 H ALA 22 H ALA 22 -9.077 13.103 1.517
149 HA ALA 22 HA ALA 22 -6.557 14.280 0.670
150 HB1 ALA 22 1HB ALA 22 -5.258 12.352 1.334
151 HB2 ALA 22 2HB ALA 22 -5.984 13.075 2.744
152 HB3 ALA 22 3HB ALA 22 -6.680 11.573 2.070
153 H PHE 23 H PHE 23 -5.579 12.428 -0.914
154 HA PHE 23 HA PHE 23 -7.826 11.610 -2.713
155 HB3 PHE 23 2HB PHE 23 -4.981 12.212 -3.564
156 HD1 PHE 23 1HD PHE 23 -8.577 12.662 -4.677
157 HD2 PHE 23 2HD PHE 23 -4.507 11.664 -5.754
158 HE1 PHE 23 1HE PHE 23 -9.261 12.385 -7.032
159 HE2 PHE 23 2HE PHE 23 -5.222 11.379 -8.118
160 HZ PHE 23 HZ PHE 23 -7.580 11.793 -8.763
161 H ALA 24 H ALA 24 -7.913 9.340 -2.964
162 HA ALA 24 HA ALA 24 -5.459 7.825 -2.777
163 HB1 ALA 24 1HB ALA 24 -6.351 6.276 -1.070
164 HB2 ALA 24 2HB ALA 24 -6.131 7.899 -0.402
165 HB3 ALA 24 3HB ALA 24 -7.760 7.332 -0.855
166 H THR 25 H THR 25 -5.715 5.779 -3.837
167 HA THR 25 HA THR 25 -8.314 4.796 -4.488
168 HB THR 25 HB THR 25 -8.169 6.693 -6.082
169 HG1 THR 25 1HG THR 25 -9.194 5.632 -7.512
170 HG21 THR 25 3HG2 THR 25 -5.773 6.548 -6.603
171 HG22 THR 25 1HG2 THR 25 -6.771 6.494 -8.060
172 HG23 THR 25 2HG2 THR 25 -6.037 4.993 -7.436
173 H VAL 26 H VAL 26 -8.041 3.020 -6.227
174 HA VAL 26 HA VAL 26 -5.642 1.373 -5.696
175 HB VAL 26 HB VAL 26 -7.833 0.280 -5.309
176 HG11 VAL 26 1HG1 VAL 26 -9.146 1.532 -7.103
177 HG12 VAL 26 2HG1 VAL 26 -8.377 0.494 -8.299
178 HG13 VAL 26 3HG1 VAL 26 -9.411 -0.210 -7.037
179 HG21 VAL 26 3HG2 VAL 26 -7.443 -1.711 -6.687
180 HG22 VAL 26 1HG2 VAL 26 -6.373 -0.812 -7.742
181 HG23 VAL 26 2HG2 VAL 26 -5.912 -1.072 -6.040
182 H ALA 27 H ALA 27 -4.290 0.982 -7.401
183 HA ALA 27 HA ALA 27 -4.908 2.175 -10.071
184 HB1 ALA 27 1HB ALA 27 -2.283 2.222 -8.523
185 HB2 ALA 27 2HB ALA 27 -2.551 2.875 -10.154
186 HB3 ALA 27 3HB ALA 27 -3.392 3.594 -8.771
187 H ARG 28 H ARG 28 -4.774 -0.713 -8.678
188 HA ARG 28 HA ARG 28 -3.918 -2.044 -11.109
189 HB3 ARG 28 2HB ARG 28 -2.410 -2.622 -8.575
190 HG3 ARG 28 2HG ARG 28 -2.562 -4.029 -11.133
191 HD3 ARG 28 2HD ARG 28 -0.064 -4.508 -11.060
192 HE ARG 28 HE ARG 28 -1.303 -2.963 -12.718
193 HH11 ARG 28 1HH1 ARG 28 1.607 -1.992 -10.898
194 HH12 ARG 28 2HH1 ARG 28 2.087 -0.810 -12.074
195 HH21 ARG 28 1HH2 ARG 28 -0.669 -1.473 -14.223
196 HH22 ARG 28 2HH2 ARG 28 0.790 -0.551 -14.078
197 H LYS 29 H LYS 29 -5.088 -3.952 -11.334
198 HA LYS 29 HA LYS 29 -6.691 -4.799 -9.008
199 HB3 LYS 29 2HB LYS 29 -6.966 -5.355 -11.999
200 HG3 LYS 29 2HG LYS 29 -7.934 -7.242 -10.795
201 HD3 LYS 29 2HD LYS 29 -8.290 -6.182 -8.561
202 HE3 LYS 29 2HE LYS 29 -9.388 -4.058 -9.683
203 HZ1 LYS 29 3HZ LYS 29 -11.243 -5.418 -10.671
204 HZ2 LYS 29 1HZ LYS 29 -11.738 -4.162 -9.747
205 HZ3 LYS 29 2HZ LYS 29 -11.772 -5.678 -9.113
206 H GLY 30 H GLY 30 -5.516 -6.239 -7.817
207 HA2 GLY 30 1HA GLY 30 -4.122 -8.493 -9.110
208 HA3 GLY 30 2HA GLY 30 -4.206 -8.078 -7.390
209 H ASP 31 H ASP 31 -4.758 -10.410 -7.059
210 HA ASP 31 HA ASP 31 -7.361 -11.364 -8.016
211 HB3 ASP 31 2HB ASP 31 -6.278 -12.490 -5.492
212 H ALA 32 H ALA 32 -9.311 -10.707 -7.138
213 HA ALA 32 HA ALA 32 -9.441 -8.988 -4.813
214 HB1 ALA 32 1HB ALA 32 -11.912 -9.316 -5.151
215 HB2 ALA 32 2HB ALA 32 -11.060 -8.857 -6.653
216 HB3 ALA 32 3HB ALA 32 -11.532 -10.539 -6.374
217 H ARG 33 H ARG 33 -9.280 -12.444 -5.092
218 HA ARG 33 HA ARG 33 -10.430 -12.833 -2.371
219 HB3 ARG 33 2HB ARG 33 -9.524 -15.282 -3.119
220 HG3 ARG 33 2HG ARG 33 -12.066 -14.180 -2.808
221 HD3 ARG 33 2HD ARG 33 -12.267 -13.996 -5.310
222 HE ARG 33 HE ARG 33 -11.230 -16.662 -5.298
223 HH11 ARG 33 1HH1 ARG 33 -13.849 -14.836 -6.945
224 HH12 ARG 33 2HH1 ARG 33 -13.656 -15.770 -8.400
225 HH21 ARG 33 1HH2 ARG 33 -11.223 -17.928 -7.148
226 HH22 ARG 33 2HH2 ARG 33 -12.229 -17.497 -8.526
227 H ALA 34 H ALA 34 -7.412 -13.374 -4.243
228 HA ALA 34 HA ALA 34 -5.915 -13.607 -1.712
229 HB1 ALA 34 1HB ALA 34 -4.979 -15.758 -2.437
230 HB2 ALA 34 2HB ALA 34 -6.741 -15.863 -2.337
231 HB3 ALA 34 3HB ALA 34 -5.943 -15.696 -3.926
232 H GLY 35 H GLY 35 -5.752 -11.390 -3.243
233 HA2 GLY 35 1HA GLY 35 -3.167 -11.666 -4.725
234 HA3 GLY 35 2HA GLY 35 -4.294 -10.313 -4.801
235 H ALA 36 H ALA 36 -1.434 -10.295 -4.244
236 HA ALA 36 HA ALA 36 -1.048 -9.475 -1.455
237 HB1 ALA 36 1HB ALA 36 1.177 -8.713 -2.330
238 HB2 ALA 36 2HB ALA 36 0.839 -10.400 -2.723
239 HB3 ALA 36 3HB ALA 36 0.662 -9.152 -3.976
240 H VAL 37 H VAL 37 -0.276 -7.115 -1.036
241 HA VAL 37 HA VAL 37 -1.562 -5.147 -2.839
242 HB VAL 37 HB VAL 37 -1.916 -5.151 0.185
243 HG11 VAL 37 1HG1 VAL 37 -1.975 -2.896 -0.847
244 HG12 VAL 37 2HG1 VAL 37 -3.210 -3.448 -1.997
245 HG13 VAL 37 3HG1 VAL 37 -3.570 -3.363 -0.259
246 HG21 VAL 37 3HG2 VAL 37 -3.956 -5.939 -1.926
247 HG22 VAL 37 1HG2 VAL 37 -3.281 -6.976 -0.655
248 HG23 VAL 37 2HG2 VAL 37 -4.316 -5.621 -0.217
249 H LEU 38 H LEU 38 -0.048 -3.648 -3.408
250 HA LEU 38 HA LEU 38 2.098 -2.856 -1.575
251 HB3 LEU 38 2HB LEU 38 2.187 -1.136 -3.664
252 HG LEU 38 HG LEU 38 4.065 -2.306 -3.595
253 HD11 LEU 38 1HD1 LEU 38 4.335 -4.794 -3.631
254 HD12 LEU 38 2HD1 LEU 38 2.590 -4.898 -3.349
255 HD13 LEU 38 3HD1 LEU 38 3.650 -4.044 -2.195
256 HD21 LEU 38 3HD2 LEU 38 4.475 -3.496 -5.687
257 HD22 LEU 38 1HD2 LEU 38 3.437 -2.086 -5.952
258 HD23 LEU 38 2HD2 LEU 38 2.721 -3.710 -5.911
259 H VAL 39 H VAL 39 2.108 -1.075 -0.480
260 HA VAL 39 HA VAL 39 -0.162 0.869 -0.824
261 HB VAL 39 HB VAL 39 1.103 -0.117 1.759
262 HG11 VAL 39 1HG1 VAL 39 -0.548 2.399 1.247
263 HG12 VAL 39 2HG1 VAL 39 -0.311 1.686 2.851
264 HG13 VAL 39 3HG1 VAL 39 1.077 2.303 1.968
265 HG21 VAL 39 3HG2 VAL 39 -1.819 0.145 0.937
266 HG22 VAL 39 1HG2 VAL 39 -0.873 -1.355 0.802
267 HG23 VAL 39 2HG2 VAL 39 -1.149 -0.639 2.389
268 H LYS 40 H LYS 40 0.757 2.523 -1.917
269 HA LYS 40 HA LYS 40 3.533 3.291 -1.097
270 HB3 LYS 40 2HB LYS 40 1.974 3.717 -3.687
271 HG3 LYS 40 2HG LYS 40 4.840 4.563 -3.009
272 HD3 LYS 40 2HD LYS 40 3.583 4.051 -5.563
273 HE3 LYS 40 2HE LYS 40 4.685 6.834 -5.630
274 HZ1 LYS 40 3HZ LYS 40 3.628 5.696 -7.591
275 HZ2 LYS 40 1HZ LYS 40 2.828 7.102 -7.179
276 HZ3 LYS 40 2HZ LYS 40 2.209 5.655 -6.777
277 H ALA 41 H ALA 41 3.593 5.239 0.069
278 HA ALA 41 HA ALA 41 1.108 6.872 0.179
279 HB1 ALA 41 1HB ALA 41 1.489 7.145 2.592
280 HB2 ALA 41 2HB ALA 41 1.223 5.436 2.186
281 HB3 ALA 41 3HB ALA 41 2.869 6.033 2.518
282 H VAL 42 H VAL 42 1.463 8.996 -0.112
283 HA VAL 42 HA VAL 42 4.283 9.909 -0.304
284 HB VAL 42 HB VAL 42 2.077 10.788 -2.164
285 HG11 VAL 42 1HG1 VAL 42 3.906 11.324 -3.622
286 HG12 VAL 42 2HG1 VAL 42 4.460 11.846 -2.016
287 HG13 VAL 42 3HG1 VAL 42 5.032 10.309 -2.723
288 HG21 VAL 42 3HG2 VAL 42 1.982 8.356 -2.449
289 HG22 VAL 42 1HG2 VAL 42 2.809 9.073 -3.829
290 HG23 VAL 42 2HG2 VAL 42 3.752 8.263 -2.563
291 H ASP 43 H ASP 43 4.625 11.405 1.176
292 HA ASP 43 HA ASP 43 2.497 12.921 2.507
293 HB3 ASP 43 2HB ASP 43 5.518 13.193 2.717
294 H ARG 44 H ARG 44 1.603 14.589 1.355
295 HA ARG 44 HA ARG 44 3.092 15.861 -0.767
296 HB3 ARG 44 2HB ARG 44 1.176 17.699 -0.435
297 HG3 ARG 44 2HG ARG 44 -0.504 16.260 -1.587
298 HD3 ARG 44 2HD ARG 44 1.405 15.350 -3.292
299 HE ARG 44 HE ARG 44 -0.352 17.430 -3.378
300 HH11 ARG 44 1HH1 ARG 44 2.963 16.874 -4.624
301 HH12 ARG 44 2HH1 ARG 44 2.618 17.463 -6.199
302 HH21 ARG 44 1HH2 ARG 44 -0.757 18.369 -5.434
303 HH22 ARG 44 2HH2 ARG 44 0.499 18.485 -6.617
304 H ARG 45 H ARG 45 2.724 16.655 2.716
305 HA ARG 45 HA ARG 45 3.291 19.489 2.200
306 HB3 ARG 45 2HB ARG 45 3.251 19.463 4.820
307 HG3 ARG 45 2HG ARG 45 0.877 18.702 3.081
308 HD3 ARG 45 2HD ARG 45 0.593 18.276 5.582
309 HE ARG 45 HE ARG 45 1.321 20.059 6.812
310 HH11 ARG 45 1HH1 ARG 45 -0.794 21.380 4.257
311 HH12 ARG 45 2HH1 ARG 45 -1.325 22.729 5.176
312 HH21 ARG 45 1HH2 ARG 45 0.414 21.650 8.111
313 HH22 ARG 45 2HH2 ARG 45 -0.358 23.060 7.430
314 H GLU 46 H GLU 46 4.972 16.756 3.819
315 HA GLU 46 HA GLU 46 7.446 18.300 4.129
316 HB3 GLU 46 2HB GLU 46 8.389 16.135 4.806
317 HG3 GLU 46 2HG GLU 46 5.651 16.555 6.097
318 H GLY 47 H GLY 47 6.036 16.030 1.777
319 HA2 GLY 47 1HA GLY 47 6.714 15.738 -0.444
320 HA3 GLY 47 2HA GLY 47 8.172 16.671 -0.150
321 H THR 48 H THR 48 7.133 13.991 1.964
322 HA THR 48 HA THR 48 9.541 12.448 1.122
323 HB THR 48 HB THR 48 9.123 11.123 3.191
324 HG1 THR 48 1HG THR 48 6.888 12.216 3.306
325 HG21 THR 48 3HG2 THR 48 10.818 12.905 3.058
326 HG22 THR 48 1HG2 THR 48 10.149 12.741 4.699
327 HG23 THR 48 2HG2 THR 48 9.622 14.080 3.656
328 H ALA 49 H ALA 49 9.243 10.688 -0.031
329 HA ALA 49 HA ALA 49 6.482 9.540 -0.234
330 HB1 ALA 49 1HB ALA 49 8.794 9.506 -2.208
331 HB2 ALA 49 2HB ALA 49 7.177 8.791 -2.450
332 HB3 ALA 49 3HB ALA 49 7.358 10.540 -2.296
333 H ARG 50 H ARG 50 6.212 7.309 0.124
334 HA ARG 50 HA ARG 50 8.570 5.646 0.705
335 HB3 ARG 50 2HB ARG 50 8.410 6.481 2.838
336 HG3 ARG 50 2HG ARG 50 5.375 6.299 2.809
337 HD3 ARG 50 2HD ARG 50 7.445 6.877 4.957
338 HE ARG 50 HE ARG 50 4.848 7.538 5.875
339 HH11 ARG 50 1HH1 ARG 50 7.616 9.018 4.256
340 HH12 ARG 50 2HH1 ARG 50 7.347 10.613 4.893
341 HH21 ARG 50 1HH2 ARG 50 4.500 9.612 6.795
342 HH22 ARG 50 2HH2 ARG 50 5.567 10.928 6.456
343 H LEU 51 H LEU 51 8.095 3.394 0.692
344 HA LEU 51 HA LEU 51 5.429 2.730 -0.459
345 HB3 LEU 51 2HB LEU 51 7.861 1.538 -1.788
346 HG LEU 51 HG LEU 51 5.110 2.460 -2.608
347 HD11 LEU 51 1HD1 LEU 51 5.551 1.801 -4.914
348 HD12 LEU 51 2HD1 LEU 51 7.183 1.310 -4.451
349 HD13 LEU 51 3HD1 LEU 51 6.716 3.027 -4.392
350 HD21 LEU 51 3HD2 LEU 51 6.362 -0.270 -2.921
351 HD22 LEU 51 1HD2 LEU 51 4.688 0.222 -3.395
352 HD23 LEU 51 2HD2 LEU 51 5.130 0.174 -1.696
353 H PHE 52 H PHE 52 4.523 1.011 0.441
354 HA PHE 52 HA PHE 52 6.291 -0.685 2.153
355 HB3 PHE 52 2HB PHE 52 4.202 -1.074 3.449
356 HD1 PHE 52 1HD PHE 52 5.998 -0.236 4.964
357 HD2 PHE 52 2HD PHE 52 3.605 2.450 2.572
358 HE1 PHE 52 1HE PHE 52 6.726 1.670 6.362
359 HE2 PHE 52 2HE PHE 52 4.309 4.347 4.002
360 HZ PHE 52 HZ PHE 52 5.831 3.940 5.943
361 H SER 53 H SER 53 5.878 -2.932 2.095
362 HA SER 53 HA SER 53 4.093 -3.959 -0.025
363 HB3 SER 53 2HB SER 53 6.660 -5.414 0.407
364 HG SER 53 HG SER 53 5.047 -5.755 -1.292
365 H GLU 54 H GLU 54 3.073 -5.856 0.574
366 HA GLU 54 HA GLU 54 3.093 -6.500 3.380
367 HB3 GLU 54 2HB GLU 54 1.078 -6.464 1.957
368 HG3 GLU 54 2HG GLU 54 2.304 -7.835 0.045
369 H ALA 55 H ALA 55 3.781 -8.414 4.312
370 HA ALA 55 HA ALA 55 5.173 -10.494 2.848
371 HB1 ALA 55 1HB ALA 55 7.047 -8.958 3.224
372 HB2 ALA 55 2HB ALA 55 6.558 -8.712 4.904
373 HB3 ALA 55 3HB ALA 55 7.185 -10.297 4.379
374 H THR 56 H THR 56 5.554 -12.352 4.478
375 HA THR 56 HA THR 56 3.893 -12.098 6.927
376 HB THR 56 HB THR 56 3.343 -14.611 6.364
377 HG1 THR 56 1HG THR 56 3.548 -13.464 3.778
378 HG21 THR 56 3HG2 THR 56 1.847 -12.315 5.051
379 HG22 THR 56 1HG2 THR 56 1.683 -12.876 6.733
380 HG23 THR 56 2HG2 THR 56 1.212 -13.946 5.416
381 H ARG 57 H ARG 57 4.723 -12.969 8.703
382 HA ARG 57 HA ARG 57 7.437 -13.239 8.744
383 HB3 ARG 57 2HB ARG 57 6.177 -12.588 10.703
384 HG3 ARG 57 2HG ARG 57 5.219 -15.430 10.624
385 HD3 ARG 57 2HD ARG 57 6.593 -15.567 12.609
386 HE ARG 57 HE ARG 57 5.852 -12.878 13.194
387 HH11 ARG 57 1HH1 ARG 57 5.941 -16.049 14.831
388 HH12 ARG 57 2HH1 ARG 57 6.132 -15.347 16.405
389 HH21 ARG 57 1HH2 ARG 57 6.039 -11.998 15.253
390 HH22 ARG 57 2HH2 ARG 57 6.066 -13.006 16.663
391 H GLY 58 H GLY 58 5.417 -15.762 8.059
392 HA2 GLY 58 1HA GLY 58 6.488 -17.969 7.324
393 HA3 GLY 58 2HA GLY 58 7.293 -17.964 8.913
394 H ASP 59 H ASP 59 5.559 -17.426 10.732
395 HA ASP 59 HA ASP 59 3.550 -19.421 10.822
396 HB3 ASP 59 2HB ASP 59 2.719 -18.445 12.809
397 H GLY 60 H GLY 60 3.519 -16.684 8.979
398 HA2 GLY 60 1HA GLY 60 1.861 -16.038 7.477
399 HA3 GLY 60 2HA GLY 60 0.626 -16.752 8.498
400 H GLU 61 H GLU 61 2.907 -14.487 10.148
401 HA GLU 61 HA GLU 61 0.539 -12.859 10.724
402 HB3 GLU 61 2HB GLU 61 3.333 -12.345 11.762
403 HG3 GLU 61 2HG GLU 61 0.613 -12.253 13.056
404 H ARG 62 H ARG 62 0.153 -11.182 9.326
405 HA ARG 62 HA ARG 62 2.208 -10.578 7.324
406 HB3 ARG 62 2HB ARG 62 -0.646 -9.602 7.517
407 HG3 ARG 62 2HG ARG 62 1.351 -9.630 5.225
408 HD3 ARG 62 2HD ARG 62 -0.949 -8.411 4.305
409 HE ARG 62 HE ARG 62 0.495 -9.931 3.014
410 HH11 ARG 62 1HH1 ARG 62 -2.286 -11.649 4.553
411 HH12 ARG 62 2HH1 ARG 62 -2.303 -12.788 3.248
412 HH21 ARG 62 1HH2 ARG 62 -0.067 -11.194 1.152
413 HH22 ARG 62 2HH2 ARG 62 -1.286 -12.430 1.342
414 H PHE 63 H PHE 63 3.026 -8.511 6.899
415 HA PHE 63 HA PHE 63 2.603 -6.394 8.923
416 HB3 PHE 63 2HB PHE 63 4.329 -7.792 9.848
417 HD1 PHE 63 1HD PHE 63 4.792 -9.803 8.328
418 HD2 PHE 63 2HD PHE 63 7.010 -6.089 8.061
419 HE1 PHE 63 1HE PHE 63 6.714 -10.995 7.290
420 HE2 PHE 63 2HE PHE 63 8.934 -7.335 7.151
421 HZ PHE 63 HZ PHE 63 8.790 -9.763 6.731
422 H TRP 64 H TRP 64 3.966 -4.356 8.278
423 HA TRP 64 HA TRP 64 3.968 -4.015 5.323
424 HB3 TRP 64 2HB TRP 64 3.479 -1.614 5.828
425 HD1 TRP 64 HD TRP 64 0.782 -2.767 8.013
426 HE1 TRP 64 1HE TRP 64 -1.282 -3.429 6.692
427 HE3 TRP 64 3HE TRP 64 2.868 -3.010 3.378
428 HZ2 TRP 64 2HZ TRP 64 -2.053 -3.570 3.845
429 HZ3 TRP 64 3HZ TRP 64 1.477 -3.423 1.381
430 HH2 TRP 64 HH TRP 64 -0.980 -3.703 1.600
431 H MET 65 H MET 65 6.082 -4.674 5.287
432 HA MET 65 HA MET 65 8.074 -2.824 6.467
433 HB3 MET 65 2HB MET 65 8.566 -5.224 6.536
434 HG3 MET 65 2HG MET 65 7.795 -5.170 3.707
435 HE1 MET 65 3HE MET 65 11.104 -5.984 5.688
436 HE2 MET 65 1HE MET 65 10.508 -7.592 5.197
437 HE3 MET 65 2HE MET 65 11.989 -6.918 4.486
438 H GLN 66 H GLN 66 9.827 -2.216 4.762
439 HA GLN 66 HA GLN 66 8.519 -1.306 2.272
440 HB3 GLN 66 2HB GLN 66 8.387 0.649 3.429
441 HG3 GLN 66 2HG GLN 66 11.097 -0.012 4.530
442 HE21 GLN 66 1HE2 GLN 66 9.751 2.514 6.148
443 HE22 GLN 66 2HE2 GLN 66 10.831 3.761 5.514
444 HA PRO 67 HA PRO 67 12.354 -3.722 1.501
445 HB3 PRO 67 2HB PRO 67 11.139 -5.495 0.687
446 HG3 PRO 67 2HG PRO 67 9.010 -5.174 -0.324
447 HD3 PRO 67 2HD PRO 67 8.855 -4.056 1.768
448 H VAL 68 H VAL 68 10.918 -1.013 -0.080
449 HA VAL 68 HA VAL 68 12.961 -0.717 -2.130
450 HB VAL 68 HB VAL 68 11.152 1.476 -1.054
451 HG11 VAL 68 1HG1 VAL 68 11.585 2.387 -3.338
452 HG12 VAL 68 2HG1 VAL 68 13.097 2.130 -2.481
453 HG13 VAL 68 3HG1 VAL 68 12.569 0.980 -3.728
454 HG21 VAL 68 3HG2 VAL 68 10.579 -0.660 -3.118
455 HG22 VAL 68 1HG2 VAL 68 9.601 -0.243 -1.700
456 HG23 VAL 68 2HG2 VAL 68 9.701 0.880 -3.067
457 H ARG 69 H ARG 69 14.976 -0.220 -1.630
458 HA ARG 69 HA ARG 69 15.603 0.514 1.107
459 HB3 ARG 69 2HB ARG 69 17.425 -0.184 -1.258
460 HG3 ARG 69 2HG ARG 69 18.899 0.390 0.486
461 HD3 ARG 69 2HD ARG 69 16.836 -0.833 2.323
462 HE ARG 69 HE ARG 69 18.305 -1.727 3.714
463 HH11 ARG 69 1HH1 ARG 69 20.199 0.781 2.025
464 HH12 ARG 69 2HH1 ARG 69 21.722 0.161 2.520
465 HH21 ARG 69 1HH2 ARG 69 20.250 -2.470 4.478
466 HH22 ARG 69 2HH2 ARG 69 21.760 -1.778 3.997
467 H SER 70 H SER 70 14.468 2.370 -0.885
468 HA SER 70 HA SER 70 16.144 4.742 -0.387
469 HB3 SER 70 2HB SER 70 15.140 5.591 -2.547
470 HG SER 70 HG SER 70 16.669 4.626 -3.827
471 H THR 71 H THR 71 14.846 6.586 0.029
472 HA THR 71 HA THR 71 11.890 6.276 0.217
473 HB THR 71 HB THR 71 12.070 8.070 1.979
474 HG1 THR 71 1HG THR 71 13.924 8.653 2.747
475 HG21 THR 71 3HG2 THR 71 13.446 5.419 2.631
476 HG22 THR 71 1HG2 THR 71 11.690 5.708 2.589
477 HG23 THR 71 2HG2 THR 71 12.696 6.537 3.783
478 H PHE 72 H PHE 72 13.064 6.693 -2.204
479 HA PHE 72 HA PHE 72 13.102 9.626 -2.609
480 HB3 PHE 72 2HB PHE 72 14.972 7.701 -4.014
481 HD1 PHE 72 1HD PHE 72 15.156 10.931 -2.090
482 HD2 PHE 72 2HD PHE 72 15.668 8.984 -5.902
483 HE1 PHE 72 1HE PHE 72 15.837 13.084 -3.101
484 HE2 PHE 72 2HE PHE 72 16.376 11.151 -6.908
485 HZ PHE 72 HZ PHE 72 16.441 13.206 -5.507
486 H GLU 73 H GLU 73 11.849 10.307 -4.171
487 HA GLU 73 HA GLU 73 9.747 8.947 -5.100
488 HB3 GLU 73 2HB GLU 73 11.019 11.333 -6.471
489 HG3 GLU 73 2HG GLU 73 8.085 10.729 -5.931
490 HA PRO 74 HA PRO 74 11.365 7.875 -9.451
491 HB3 PRO 74 2HB PRO 74 12.874 9.401 -10.260
492 HG3 PRO 74 2HG PRO 74 14.621 10.282 -8.869
493 HD3 PRO 74 2HD PRO 74 12.537 10.732 -7.860
494 H ASP 75 H ASP 75 12.719 6.750 -6.493
495 HA ASP 75 HA ASP 75 13.571 4.159 -7.702
496 HB3 ASP 75 2HB ASP 75 14.421 3.689 -5.399
497 H LEU 76 H LEU 76 10.908 5.706 -6.226
498 HA LEU 76 HA LEU 76 10.111 3.348 -4.639
499 HB3 LEU 76 2HB LEU 76 8.170 4.890 -4.002
500 HG LEU 76 HG LEU 76 11.084 5.513 -3.400
501 HD11 LEU 76 1HD1 LEU 76 9.842 7.644 -3.242
502 HD12 LEU 76 2HD1 LEU 76 10.290 7.052 -1.638
503 HD13 LEU 76 3HD1 LEU 76 8.627 6.859 -2.213
504 HD21 LEU 76 3HD2 LEU 76 8.918 4.623 -1.490
505 HD22 LEU 76 1HD2 LEU 76 10.670 4.551 -1.297
506 HD23 LEU 76 2HD2 LEU 76 9.862 3.452 -2.423
507 H ASP 77 H ASP 77 8.314 5.357 -7.071
508 HA ASP 77 HA ASP 77 6.254 3.417 -7.390
509 HB3 ASP 77 2HB ASP 77 7.189 5.381 -9.505
510 H ALA 78 H ALA 78 9.410 3.757 -8.905
511 HA ALA 78 HA ALA 78 9.516 1.861 -10.892
512 HB1 ALA 78 1HB ALA 78 11.867 1.593 -10.089
513 HB2 ALA 78 2HB ALA 78 11.365 3.298 -10.185
514 HB3 ALA 78 3HB ALA 78 11.457 2.462 -8.620
515 H TYR 79 H TYR 79 9.535 1.201 -7.342
516 HA TYR 79 HA TYR 79 10.101 -1.594 -7.485
517 HB3 TYR 79 2HB TYR 79 8.441 -0.019 -5.491
518 HD1 TYR 79 2HD TYR 79 6.789 -1.739 -5.087
519 HD2 TYR 79 1HD TYR 79 11.012 -2.544 -4.711
520 HE1 TYR 79 2HE TYR 79 6.281 -3.904 -4.000
521 HE2 TYR 79 1HE TYR 79 10.504 -4.656 -3.501
522 HH TYR 79 HH TYR 79 7.141 -5.570 -2.673
523 H ALA 80 H ALA 80 7.024 0.277 -7.563
524 HA ALA 80 HA ALA 80 5.321 -2.043 -7.564
525 HB1 ALA 80 1HB ALA 80 4.537 0.222 -6.876
526 HB2 ALA 80 2HB ALA 80 4.721 0.783 -8.554
527 HB3 ALA 80 3HB ALA 80 3.540 -0.471 -8.167
528 H GLU 81 H GLU 81 7.099 -0.299 -10.079
529 HA GLU 81 HA GLU 81 5.582 -1.338 -12.327
530 HB3 GLU 81 2HB GLU 81 7.578 -0.733 -13.653
531 HG3 GLU 81 2HG GLU 81 7.238 1.677 -11.873
532 H ARG 82 H ARG 82 8.558 -2.174 -10.520
533 HA ARG 82 HA ARG 82 9.118 -4.402 -12.183
534 HB3 ARG 82 2HB ARG 82 10.002 -3.742 -9.341
535 HG3 ARG 82 2HG ARG 82 11.373 -5.552 -11.417
536 HD3 ARG 82 2HD ARG 82 12.373 -6.282 -9.037
537 HE ARG 82 HE ARG 82 13.367 -4.134 -10.833
538 HH11 ARG 82 1HH1 ARG 82 14.124 -6.630 -8.357
539 HH12 ARG 82 2HH1 ARG 82 15.823 -6.463 -8.543
540 HH21 ARG 82 1HH2 ARG 82 15.639 -4.127 -11.203
541 HH22 ARG 82 2HH2 ARG 82 16.660 -4.725 -9.921
542 H ALA 83 H ALA 83 7.290 -4.069 -9.150
543 HA ALA 83 HA ALA 83 7.069 -6.827 -8.563
544 HB1 ALA 83 1HB ALA 83 6.599 -4.893 -6.976
545 HB2 ALA 83 2HB ALA 83 5.071 -4.639 -7.843
546 HB3 ALA 83 3HB ALA 83 5.392 -6.170 -6.987
547 H ALA 84 H ALA 84 5.033 -4.675 -10.540
548 HA ALA 84 HA ALA 84 2.962 -6.696 -10.937
549 HB1 ALA 84 1HB ALA 84 3.385 -3.900 -12.081
550 HB2 ALA 84 2HB ALA 84 1.937 -4.905 -12.351
551 HB3 ALA 84 3HB ALA 84 2.325 -4.391 -10.727
552 H ARG 85 H ARG 85 5.793 -7.173 -12.060
553 HA ARG 85 HA ARG 85 4.943 -7.784 -14.882
554 HB3 ARG 85 2HB ARG 85 7.432 -7.872 -15.347
555 HG3 ARG 85 2HG ARG 85 6.238 -5.233 -14.417
556 HD3 ARG 85 2HD ARG 85 8.813 -5.833 -15.904
557 HE ARG 85 HE ARG 85 7.444 -3.301 -15.287
558 HH11 ARG 85 1HH1 ARG 85 10.482 -4.872 -16.336
559 HH12 ARG 85 2HH1 ARG 85 11.170 -3.397 -16.955
560 HH21 ARG 85 1HH2 ARG 85 8.344 -1.386 -16.298
561 HH22 ARG 85 2HH2 ARG 85 9.947 -1.377 -16.904
562 H ILE 86 H ILE 86 5.382 -9.130 -11.886
563 HA ILE 86 HA ILE 86 5.686 -11.823 -13.052
564 HB ILE 86 HB ILE 86 7.135 -11.057 -10.485
565 HG13 ILE 86 2HG1 ILE 86 8.192 -10.988 -13.326
566 HG21 ILE 86 1HG2 ILE 86 6.519 -13.452 -10.805
567 HG22 ILE 86 2HG2 ILE 86 7.363 -13.437 -12.373
568 HG23 ILE 86 3HG2 ILE 86 8.252 -13.198 -10.854
569 HD11 ILE 86 3HD1 ILE 86 9.586 -9.184 -12.497
570 HD12 ILE 86 1HD1 ILE 86 7.958 -8.860 -11.874
571 HD13 ILE 86 2HD1 ILE 86 9.181 -9.590 -10.818
572 H ASP 87 H ASP 87 4.441 -9.645 -10.475
573 HA ASP 87 HA ASP 87 2.656 -11.823 -9.540
574 HB3 ASP 87 2HB ASP 87 2.115 -10.136 -7.754
575 HA PRO 88 HA PRO 88 -0.116 -9.281 -12.252
576 HB3 PRO 88 2HB PRO 88 -0.078 -10.926 -13.902
577 HG3 PRO 88 2HG PRO 88 0.164 -13.246 -13.333
578 HD3 PRO 88 2HD PRO 88 2.032 -12.124 -12.453
579 H ASP 89 H ASP 89 -0.436 -11.380 -9.487
580 HA ASP 89 HA ASP 89 -3.258 -10.745 -9.024
581 HB3 ASP 89 2HB ASP 89 -2.368 -13.051 -8.633
582 H ILE 90 H ILE 90 -0.430 -8.983 -8.647
583 HA ILE 90 HA ILE 90 -0.811 -8.177 -5.900
584 HB ILE 90 HB ILE 90 1.278 -8.165 -7.310
585 HG13 ILE 90 2HG1 ILE 90 0.878 -7.009 -5.008
586 HG21 ILE 90 1HG2 ILE 90 1.882 -6.306 -8.692
587 HG22 ILE 90 2HG2 ILE 90 0.300 -6.833 -9.254
588 HG23 ILE 90 3HG2 ILE 90 0.426 -5.392 -8.237
589 HD11 ILE 90 3HD1 ILE 90 3.196 -6.119 -5.088
590 HD12 ILE 90 1HD1 ILE 90 3.061 -7.725 -5.823
591 HD13 ILE 90 2HD1 ILE 90 3.183 -6.270 -6.849
592 H TRP 91 H TRP 91 -1.638 -6.265 -5.156
593 HA TRP 91 HA TRP 91 -3.307 -4.556 -6.962
594 HB3 TRP 91 2HB TRP 91 -4.275 -3.762 -4.741
595 HD1 TRP 91 HD TRP 91 -4.165 -7.620 -5.039
596 HE1 TRP 91 1HE TRP 91 -6.532 -8.486 -5.390
597 HE3 TRP 91 3HE TRP 91 -6.587 -3.174 -5.189
598 HZ2 TRP 91 2HZ TRP 91 -9.168 -7.325 -6.010
599 HZ3 TRP 91 3HZ TRP 91 -9.061 -3.057 -5.490
600 HH2 TRP 91 HH TRP 91 -10.354 -5.133 -5.911
601 H VAL 92 H VAL 92 -3.138 -2.241 -6.499
602 HA VAL 92 HA VAL 92 -0.708 -1.360 -5.047
603 HB VAL 92 HB VAL 92 -1.542 -0.523 -7.863
604 HG11 VAL 92 1HG1 VAL 92 0.528 0.749 -7.917
605 HG12 VAL 92 2HG1 VAL 92 -0.564 1.373 -6.671
606 HG13 VAL 92 3HG1 VAL 92 0.844 0.378 -6.207
607 HG21 VAL 92 3HG2 VAL 92 0.584 -1.464 -8.606
608 HG22 VAL 92 1HG2 VAL 92 0.965 -2.003 -6.951
609 HG23 VAL 92 2HG2 VAL 92 -0.363 -2.740 -7.851
610 H VAL 93 H VAL 93 -1.401 0.061 -3.566
611 HA VAL 93 HA VAL 93 -3.827 1.658 -4.157
612 HB VAL 93 HB VAL 93 -2.892 0.443 -1.524
613 HG11 VAL 93 1HG1 VAL 93 -3.826 2.519 -0.972
614 HG12 VAL 93 2HG1 VAL 93 -5.030 2.446 -2.266
615 HG13 VAL 93 3HG1 VAL 93 -5.223 1.426 -0.843
616 HG21 VAL 93 3HG2 VAL 93 -5.334 -0.091 -3.281
617 HG22 VAL 93 1HG2 VAL 93 -3.990 -1.216 -2.986
618 HG23 VAL 93 2HG2 VAL 93 -5.056 -0.767 -1.656
619 H GLU 94 H GLU 94 -3.598 3.761 -4.104
620 HA GLU 94 HA GLU 94 -0.884 4.822 -3.618
621 HB3 GLU 94 2HB GLU 94 -1.571 6.356 -5.543
622 HG3 GLU 94 2HG GLU 94 -1.868 4.390 -7.296
623 H ILE 95 H ILE 95 -0.921 6.076 -1.790
624 HA ILE 95 HA ILE 95 -3.393 7.613 -1.149
625 HB ILE 95 HB ILE 95 -1.144 6.815 0.755
626 HG13 ILE 95 2HG1 ILE 95 -2.524 5.035 1.667
627 HG21 ILE 95 1HG2 ILE 95 -3.981 7.687 1.361
628 HG22 ILE 95 2HG2 ILE 95 -2.752 7.217 2.541
629 HG23 ILE 95 3HG2 ILE 95 -2.514 8.660 1.555
630 HD11 ILE 95 3HD1 ILE 95 -4.371 4.040 0.514
631 HD12 ILE 95 1HD1 ILE 95 -4.791 5.727 0.739
632 HD13 ILE 95 2HD1 ILE 95 -4.221 5.159 -0.851
633 H GLU 96 H GLU 96 -3.119 9.785 -1.758
634 HA GLU 96 HA GLU 96 -0.474 11.102 -1.245
635 HB3 GLU 96 2HB GLU 96 -1.685 13.084 -2.289
636 HG3 GLU 96 2HG GLU 96 -1.263 10.899 -4.319
637 H ASP 97 H ASP 97 -0.497 11.619 0.940
638 HA ASP 97 HA ASP 97 -3.037 12.799 2.018
639 HB3 ASP 97 2HB ASP 97 -0.867 11.397 3.600
640 H ARG 98 H ARG 98 -2.715 14.494 3.597
641 HA ARG 98 HA ARG 98 -0.793 16.557 2.871
642 HB3 ARG 98 2HB ARG 98 -1.658 17.504 5.103
643 HG3 ARG 98 2HG ARG 98 -3.795 16.680 3.110
644 HD3 ARG 98 2HD ARG 98 -3.549 19.268 4.692
645 HE ARG 98 HE ARG 98 -5.356 18.225 2.687
646 HH11 ARG 98 1HH1 ARG 98 -5.316 20.559 5.434
647 HH12 ARG 98 2HH1 ARG 98 -6.945 21.055 5.070
648 HH21 ARG 98 1HH2 ARG 98 -7.253 19.079 2.196
649 HH22 ARG 98 2HH2 ARG 98 -8.093 20.201 3.216
650 H ASP 99 H ASP 99 -1.052 14.345 5.658
651 HA ASP 99 HA ASP 99 1.563 15.288 6.662
652 HB3 ASP 99 2HB ASP 99 -0.702 13.846 8.111
653 H GLY 100 H GLY 100 1.201 13.239 4.566
654 HA2 GLY 100 1HA GLY 100 2.275 11.279 3.958
655 HA3 GLY 100 2HA GLY 100 3.155 11.439 5.484
656 H ARG 101 H ARG 101 -0.323 11.083 5.687
657 HA ARG 101 HA ARG 101 0.024 8.711 7.269
658 HB3 ARG 101 2HB ARG 101 -2.458 8.545 7.211
659 HG3 ARG 101 2HG ARG 101 -1.589 11.426 7.691
660 HD3 ARG 101 2HD ARG 101 -3.623 9.589 9.059
661 HE ARG 101 HE ARG 101 -3.825 12.480 9.216
662 HH11 ARG 101 1HH1 ARG 101 -1.915 9.890 10.854
663 HH12 ARG 101 2HH1 ARG 101 -1.873 10.773 12.317
664 HH21 ARG 101 1HH2 ARG 101 -3.758 13.501 11.169
665 HH22 ARG 101 2HH2 ARG 101 -3.147 12.744 12.626
666 H HIS 102 H HIS 102 -0.299 6.606 6.854
667 HA HIS 102 HA HIS 102 -0.745 5.716 4.063
668 HB3 HIS 102 2HB HIS 102 1.155 4.721 5.065
669 HD1 HIS 102 1HD HIS 102 -1.496 3.500 7.653
670 HD2 HIS 102 2HD HIS 102 2.394 5.056 7.305
671 HE1 HIS 102 1HE HIS 102 -0.665 3.845 10.027
672 H PHE 103 H PHE 103 -2.563 6.122 7.031
673 HA PHE 103 HA PHE 103 -4.538 5.347 7.791
674 HB3 PHE 103 2HB PHE 103 -6.345 5.092 5.927
675 HD1 PHE 103 1HD PHE 103 -6.945 6.547 7.934
676 HD2 PHE 103 2HD PHE 103 -4.419 7.978 4.726
677 HE1 PHE 103 1HE PHE 103 -7.436 8.871 8.583
678 HE2 PHE 103 2HE PHE 103 -4.979 10.291 5.335
679 HZ PHE 103 HZ PHE 103 -6.497 10.766 7.259
680 H LEU 104 H LEU 104 -3.076 3.400 8.387
681 HA LEU 104 HA LEU 104 -4.190 0.895 7.243
682 HB3 LEU 104 2HB LEU 104 -2.009 -0.252 7.720
683 HG LEU 104 HG LEU 104 -1.970 1.832 5.507
684 HD11 LEU 104 1HD1 LEU 104 -0.128 0.335 4.534
685 HD12 LEU 104 2HD1 LEU 104 -0.030 -0.431 6.117
686 HD13 LEU 104 3HD1 LEU 104 0.327 1.290 5.942
687 HD21 LEU 104 3HD2 LEU 104 -2.553 -1.170 5.486
688 HD22 LEU 104 1HD2 LEU 104 -2.499 -0.100 4.068
689 HD23 LEU 104 2HD2 LEU 104 -3.751 0.137 5.269
690 H THR 105 H THR 105 -5.065 -0.350 8.762
691 HA THR 105 HA THR 105 -4.978 0.430 11.561
692 HB THR 105 HB THR 105 -6.987 -0.291 10.258
693 HG1 THR 105 1HG THR 105 -6.319 -1.608 12.647
694 HG21 THR 105 3HG2 THR 105 -5.978 -3.135 10.591
695 HG22 THR 105 1HG2 THR 105 -6.017 -2.259 9.052
696 HG23 THR 105 2HG2 THR 105 -7.526 -2.609 9.911
697 H GLU 106 H GLU 106 -2.550 -0.897 10.035
698 HA GLU 106 HA GLU 106 -2.199 -3.455 11.515
699 HB3 GLU 106 2HB GLU 106 -0.903 -4.013 9.383
700 HG3 GLU 106 2HG GLU 106 -2.789 -4.127 7.798
701 HA PRO 107 HA PRO 107 1.742 -1.721 12.901
702 HB3 PRO 107 2HB PRO 107 2.247 -3.729 13.923
703 HG3 PRO 107 2HG PRO 107 1.771 -5.828 12.851
704 HD3 PRO 107 2HD PRO 107 -0.265 -4.627 12.892
705 H VAL 108 H VAL 108 3.880 -1.015 12.108
706 HA VAL 108 HA VAL 108 4.473 -1.476 9.268
707 HB VAL 108 HB VAL 108 4.078 1.291 10.504
708 HG11 VAL 108 1HG1 VAL 108 4.686 2.161 8.223
709 HG12 VAL 108 2HG1 VAL 108 6.036 1.373 9.033
710 HG13 VAL 108 3HG1 VAL 108 5.157 0.502 7.769
711 HG21 VAL 108 3HG2 VAL 108 2.376 1.663 8.814
712 HG22 VAL 108 1HG2 VAL 108 2.673 0.058 8.094
713 HG23 VAL 108 2HG2 VAL 108 1.965 0.184 9.698
714 H GLU 109 H GLU 109 6.583 -1.839 9.064
715 HA GLU 109 HA GLU 109 8.371 -1.696 11.330
716 HB3 GLU 109 2HB GLU 109 9.802 -2.822 9.458
717 HG3 GLU 109 2HG GLU 109 8.775 -4.201 11.142
718 H SER 110 H SER 110 10.777 -1.281 10.267
719 HA SER 110 HA SER 110 11.065 1.017 8.566
720 HB3 SER 110 2HB SER 110 12.572 1.521 11.054
721 HG SER 110 HG SER 110 10.847 3.423 10.620
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -13.434 -18.253 10.830
2 HA2 GLY 1 1HA GLY 1 -12.494 -17.080 12.771
3 HA3 GLY 1 2HA GLY 1 -10.905 -17.176 11.972
4 H MET 2 H MET 2 -10.578 -14.873 11.632
5 HA MET 2 HA MET 2 -12.543 -13.253 10.299
6 HB3 MET 2 2HB MET 2 -10.662 -11.822 9.632
7 HG3 MET 2 2HG MET 2 -10.335 -12.777 12.502
8 HE1 MET 2 3HE MET 2 -7.723 -11.833 11.312
9 HE2 MET 2 1HE MET 2 -7.228 -10.453 12.320
10 HE3 MET 2 2HE MET 2 -7.924 -11.899 13.074
11 H LEU 3 H LEU 3 -12.872 -12.869 8.101
12 HA LEU 3 HA LEU 3 -11.666 -14.728 6.130
13 HB3 LEU 3 2HB LEU 3 -14.666 -14.626 6.401
14 HG LEU 3 HG LEU 3 -14.628 -16.883 5.579
15 HD11 LEU 3 1HD1 LEU 3 -14.483 -15.173 3.814
16 HD12 LEU 3 2HD1 LEU 3 -13.718 -16.686 3.337
17 HD13 LEU 3 3HD1 LEU 3 -12.701 -15.314 3.811
18 HD21 LEU 3 3HD2 LEU 3 -11.579 -16.800 5.576
19 HD22 LEU 3 1HD2 LEU 3 -12.614 -18.140 5.079
20 HD23 LEU 3 2HD2 LEU 3 -12.594 -17.639 6.770
21 H LEU 4 H LEU 4 -10.873 -12.542 5.769
22 HA LEU 4 HA LEU 4 -12.655 -10.658 4.311
23 HB3 LEU 4 2HB LEU 4 -10.365 -9.366 4.326
24 HG LEU 4 HG LEU 4 -10.542 -8.657 6.719
25 HD11 LEU 4 1HD1 LEU 4 -13.047 -8.557 5.023
26 HD12 LEU 4 2HD1 LEU 4 -11.645 -7.461 4.953
27 HD13 LEU 4 3HD1 LEU 4 -12.669 -7.461 6.391
28 HD21 LEU 4 3HD2 LEU 4 -11.489 -10.699 7.716
29 HD22 LEU 4 1HD2 LEU 4 -13.025 -10.393 6.864
30 HD23 LEU 4 2HD2 LEU 4 -12.435 -9.252 8.084
31 H SER 5 H SER 5 -11.569 -9.679 2.259
32 HA SER 5 HA SER 5 -9.959 -11.673 0.778
33 HB3 SER 5 2HB SER 5 -11.210 -11.572 -1.118
34 HG SER 5 HG SER 5 -12.799 -11.763 0.966
35 H THR 6 H THR 6 -8.620 -10.559 -0.958
36 HA THR 6 HA THR 6 -7.289 -8.321 -0.067
37 HB THR 6 HB THR 6 -7.527 -9.096 -2.966
38 HG1 THR 6 1HG THR 6 -5.832 -10.377 -1.089
39 HG21 THR 6 3HG2 THR 6 -5.277 -8.130 -1.150
40 HG22 THR 6 1HG2 THR 6 -6.127 -7.150 -2.363
41 HG23 THR 6 2HG2 THR 6 -5.102 -8.520 -2.864
42 H ASP 7 H ASP 7 -9.875 -8.561 -2.482
43 HA ASP 7 HA ASP 7 -10.164 -5.906 -3.268
44 HB3 ASP 7 2HB ASP 7 -12.196 -8.122 -2.878
45 H ILE 8 H ILE 8 -11.326 -7.458 -0.288
46 HA ILE 8 HA ILE 8 -13.166 -5.425 0.508
47 HB ILE 8 HB ILE 8 -11.839 -7.532 2.228
48 HG13 ILE 8 2HG1 ILE 8 -13.838 -8.820 1.941
49 HG21 ILE 8 1HG2 ILE 8 -14.135 -5.596 2.627
50 HG22 ILE 8 2HG2 ILE 8 -14.021 -7.099 3.563
51 HG23 ILE 8 3HG2 ILE 8 -12.720 -5.891 3.670
52 HD11 ILE 8 3HD1 ILE 8 -15.414 -8.489 0.140
53 HD12 ILE 8 1HD1 ILE 8 -15.495 -7.117 1.263
54 HD13 ILE 8 2HD1 ILE 8 -14.640 -6.953 -0.295
55 H TRP 9 H TRP 9 -9.757 -6.194 1.566
56 HA TRP 9 HA TRP 9 -9.789 -4.047 3.510
57 HB3 TRP 9 2HB TRP 9 -7.376 -4.219 3.563
58 HD1 TRP 9 HD TRP 9 -9.143 -5.545 5.641
59 HE1 TRP 9 1HE TRP 9 -8.656 -7.887 6.568
60 HE3 TRP 9 3HE TRP 9 -6.698 -7.472 1.638
61 HZ2 TRP 9 2HZ TRP 9 -7.688 -10.426 5.491
62 HZ3 TRP 9 3HZ TRP 9 -6.420 -9.965 1.430
63 HH2 TRP 9 HH TRP 9 -6.881 -11.424 3.369
64 H VAL 10 H VAL 10 -8.761 -4.309 0.074
65 HA VAL 10 HA VAL 10 -7.603 -1.758 -0.125
66 HB VAL 10 HB VAL 10 -8.949 -3.644 -2.096
67 HG11 VAL 10 1HG1 VAL 10 -7.976 -2.322 -3.927
68 HG12 VAL 10 2HG1 VAL 10 -9.190 -1.400 -3.060
69 HG13 VAL 10 3HG1 VAL 10 -7.463 -1.074 -2.772
70 HG21 VAL 10 3HG2 VAL 10 -6.767 -4.352 -1.068
71 HG22 VAL 10 1HG2 VAL 10 -6.647 -4.098 -2.806
72 HG23 VAL 10 2HG2 VAL 10 -6.021 -2.868 -1.689
73 H ALA 11 H ALA 11 -11.007 -2.864 -0.676
74 HA ALA 11 HA ALA 11 -12.090 -0.426 -1.427
75 HB1 ALA 11 1HB ALA 11 -14.237 -1.433 -0.675
76 HB2 ALA 11 2HB ALA 11 -13.252 -2.617 -1.557
77 HB3 ALA 11 3HB ALA 11 -13.347 -2.697 0.202
78 H ALA 12 H ALA 12 -11.857 -1.808 1.861
79 HA ALA 12 HA ALA 12 -13.119 0.315 3.272
80 HB1 ALA 12 1HB ALA 12 -11.854 -0.662 5.240
81 HB2 ALA 12 2HB ALA 12 -12.709 -1.882 4.281
82 HB3 ALA 12 3HB ALA 12 -10.951 -1.690 4.119
83 H LEU 13 H LEU 13 -9.658 -0.308 2.697
84 HA LEU 13 HA LEU 13 -8.666 1.908 4.082
85 HB3 LEU 13 2HB LEU 13 -7.598 0.080 1.941
86 HG LEU 13 HG LEU 13 -6.511 2.302 1.616
87 HD11 LEU 13 1HD1 LEU 13 -6.683 3.238 3.940
88 HD12 LEU 13 2HD1 LEU 13 -5.010 3.188 3.408
89 HD13 LEU 13 3HD1 LEU 13 -5.613 1.959 4.541
90 HD21 LEU 13 3HD2 LEU 13 -4.816 0.143 3.016
91 HD22 LEU 13 1HD2 LEU 13 -4.153 1.420 1.973
92 HD23 LEU 13 2HD2 LEU 13 -5.220 0.168 1.307
93 H ILE 14 H ILE 14 -9.441 1.713 0.516
94 HA ILE 14 HA ILE 14 -8.637 4.398 -0.029
95 HB ILE 14 HB ILE 14 -10.737 2.575 -1.273
96 HG13 ILE 14 2HG1 ILE 14 -9.145 2.475 -3.154
97 HG21 ILE 14 1HG2 ILE 14 -10.658 4.158 -3.263
98 HG22 ILE 14 2HG2 ILE 14 -11.542 4.758 -1.853
99 HG23 ILE 14 3HG2 ILE 14 -9.927 5.368 -2.196
100 HD11 ILE 14 3HD1 ILE 14 -7.074 3.718 -1.286
101 HD12 ILE 14 1HD1 ILE 14 -6.875 3.228 -2.961
102 HD13 ILE 14 2HD1 ILE 14 -7.881 4.652 -2.563
103 H ARG 15 H ARG 15 -11.765 3.101 1.165
104 HA ARG 15 HA ARG 15 -13.157 5.535 0.992
105 HB3 ARG 15 2HB ARG 15 -13.507 2.876 2.475
106 HG3 ARG 15 2HG ARG 15 -14.920 5.425 2.622
107 HD3 ARG 15 2HD ARG 15 -16.585 3.852 1.556
108 HE ARG 15 HE ARG 15 -16.727 1.794 2.522
109 HH11 ARG 15 1HH1 ARG 15 -17.309 4.225 5.040
110 HH12 ARG 15 2HH1 ARG 15 -17.362 3.054 6.329
111 HH21 ARG 15 1HH2 ARG 15 -16.899 0.260 4.241
112 HH22 ARG 15 2HH2 ARG 15 -17.450 0.763 5.803
113 H ARG 16 H ARG 16 -11.241 4.022 3.599
114 HA ARG 16 HA ARG 16 -11.710 5.973 5.629
115 HB3 ARG 16 2HB ARG 16 -9.478 5.057 6.526
116 HG3 ARG 16 2HG ARG 16 -11.866 3.351 5.780
117 HD3 ARG 16 2HD ARG 16 -9.335 2.347 7.141
118 HE ARG 16 HE ARG 16 -11.707 0.667 6.872
119 HH11 ARG 16 1HH1 ARG 16 -9.902 2.839 9.058
120 HH12 ARG 16 2HH1 ARG 16 -11.051 2.656 10.346
121 HH21 ARG 16 1HH2 ARG 16 -12.986 0.188 8.698
122 HH22 ARG 16 2HH2 ARG 16 -12.660 0.852 10.251
123 H ALA 17 H ALA 17 -9.207 5.845 3.079
124 HA ALA 17 HA ALA 17 -7.757 8.155 3.971
125 HB1 ALA 17 1HB ALA 17 -6.807 6.393 2.497
126 HB2 ALA 17 2HB ALA 17 -7.973 6.843 1.223
127 HB3 ALA 17 3HB ALA 17 -6.722 7.997 1.732
128 H GLU 18 H GLU 18 -10.120 7.666 1.289
129 HA GLU 18 HA GLU 18 -10.251 10.335 0.426
130 HB3 GLU 18 2HB GLU 18 -12.584 9.573 -0.302
131 HG3 GLU 18 2HG GLU 18 -10.288 7.817 -1.323
132 H LEU 19 H LEU 19 -12.148 8.667 2.965
133 HA LEU 19 HA LEU 19 -13.871 10.782 3.748
134 HB3 LEU 19 2HB LEU 19 -13.156 9.505 6.114
135 HG LEU 19 HG LEU 19 -15.315 9.589 5.550
136 HD11 LEU 19 1HD1 LEU 19 -14.883 7.810 3.112
137 HD12 LEU 19 2HD1 LEU 19 -15.465 9.482 3.130
138 HD13 LEU 19 3HD1 LEU 19 -16.473 8.201 3.792
139 HD21 LEU 19 3HD2 LEU 19 -16.025 7.232 5.987
140 HD22 LEU 19 1HD2 LEU 19 -14.568 7.646 6.902
141 HD23 LEU 19 2HD2 LEU 19 -14.440 6.662 5.423
142 H GLY 20 H GLY 20 -10.572 10.229 4.446
143 HA2 GLY 20 1HA GLY 20 -10.130 12.351 6.426
144 HA3 GLY 20 2HA GLY 20 -8.892 11.448 5.547
145 H GLY 21 H GLY 21 -10.860 12.508 3.114
146 HA2 GLY 21 1HA GLY 21 -10.849 14.242 1.643
147 HA3 GLY 21 2HA GLY 21 -9.941 15.244 2.770
148 H ALA 22 H ALA 22 -8.447 12.152 2.394
149 HA ALA 22 HA ALA 22 -6.171 13.351 0.992
150 HB1 ALA 22 1HB ALA 22 -5.856 11.663 2.806
151 HB2 ALA 22 2HB ALA 22 -6.718 10.461 1.813
152 HB3 ALA 22 3HB ALA 22 -5.174 11.119 1.262
153 H PHE 23 H PHE 23 -5.349 12.257 -1.008
154 HA PHE 23 HA PHE 23 -7.588 11.582 -2.860
155 HB3 PHE 23 2HB PHE 23 -4.755 12.084 -3.748
156 HD1 PHE 23 1HD PHE 23 -8.118 13.602 -4.390
157 HD2 PHE 23 2HD PHE 23 -4.801 11.369 -5.983
158 HE1 PHE 23 1HE PHE 23 -9.112 13.743 -6.653
159 HE2 PHE 23 2HE PHE 23 -5.800 11.511 -8.254
160 HZ PHE 23 HZ PHE 23 -7.922 12.712 -8.602
161 H ALA 24 H ALA 24 -7.820 9.351 -3.219
162 HA ALA 24 HA ALA 24 -5.402 7.676 -2.937
163 HB1 ALA 24 1HB ALA 24 -6.472 6.154 -1.368
164 HB2 ALA 24 2HB ALA 24 -6.403 7.775 -0.662
165 HB3 ALA 24 3HB ALA 24 -7.940 7.161 -1.329
166 H THR 25 H THR 25 -5.580 5.690 -4.023
167 HA THR 25 HA THR 25 -8.076 4.914 -5.235
168 HB THR 25 HB THR 25 -7.445 6.799 -6.735
169 HG1 THR 25 1HG THR 25 -8.104 5.679 -8.479
170 HG21 THR 25 3HG2 THR 25 -5.222 4.905 -7.618
171 HG22 THR 25 1HG2 THR 25 -4.990 6.436 -6.737
172 HG23 THR 25 2HG2 THR 25 -5.670 6.448 -8.378
173 H VAL 26 H VAL 26 -7.793 3.043 -6.716
174 HA VAL 26 HA VAL 26 -5.561 1.305 -5.807
175 HB VAL 26 HB VAL 26 -7.866 0.274 -7.448
176 HG11 VAL 26 1HG1 VAL 26 -6.304 -0.998 -5.169
177 HG12 VAL 26 2HG1 VAL 26 -7.243 -1.771 -6.487
178 HG13 VAL 26 3HG1 VAL 26 -5.699 -0.976 -6.828
179 HG21 VAL 26 3HG2 VAL 26 -9.104 1.336 -5.668
180 HG22 VAL 26 1HG2 VAL 26 -9.061 -0.409 -5.410
181 HG23 VAL 26 2HG2 VAL 26 -7.995 0.657 -4.445
182 H ALA 27 H ALA 27 -3.890 1.587 -7.154
183 HA ALA 27 HA ALA 27 -4.273 2.434 -9.949
184 HB1 ALA 27 1HB ALA 27 -1.758 2.153 -8.253
185 HB2 ALA 27 2HB ALA 27 -1.882 2.912 -9.856
186 HB3 ALA 27 3HB ALA 27 -2.689 3.652 -8.464
187 H ARG 28 H ARG 28 -4.795 -0.448 -8.768
188 HA ARG 28 HA ARG 28 -3.855 -1.734 -11.113
189 HB3 ARG 28 2HB ARG 28 -3.028 -3.478 -8.878
190 HG3 ARG 28 2HG ARG 28 -2.594 -3.897 -11.368
191 HD3 ARG 28 2HD ARG 28 -0.436 -1.789 -10.846
192 HE ARG 28 HE ARG 28 -0.814 -3.738 -13.032
193 HH11 ARG 28 1HH1 ARG 28 0.778 -0.621 -12.230
194 HH12 ARG 28 2HH1 ARG 28 2.091 -0.940 -13.339
195 HH21 ARG 28 1HH2 ARG 28 0.865 -4.001 -14.507
196 HH22 ARG 28 2HH2 ARG 28 1.978 -2.675 -14.818
197 H LYS 29 H LYS 29 -4.730 -4.231 -10.920
198 HA LYS 29 HA LYS 29 -6.818 -4.462 -8.874
199 HB3 LYS 29 2HB LYS 29 -7.301 -4.577 -11.878
200 HG3 LYS 29 2HG LYS 29 -9.120 -5.470 -9.583
201 HD3 LYS 29 2HD LYS 29 -10.684 -5.791 -11.721
202 HE3 LYS 29 2HE LYS 29 -11.378 -3.269 -11.482
203 HZ1 LYS 29 3HZ LYS 29 -11.478 -4.994 -9.059
204 HZ2 LYS 29 1HZ LYS 29 -12.491 -5.060 -10.353
205 HZ3 LYS 29 2HZ LYS 29 -12.438 -3.723 -9.430
206 H GLY 30 H GLY 30 -5.829 -6.126 -7.873
207 HA2 GLY 30 1HA GLY 30 -4.367 -8.141 -9.426
208 HA3 GLY 30 2HA GLY 30 -4.329 -7.836 -7.680
209 H ASP 31 H ASP 31 -4.594 -10.184 -7.431
210 HA ASP 31 HA ASP 31 -7.117 -11.412 -8.239
211 HB3 ASP 31 2HB ASP 31 -6.128 -12.889 -6.037
212 H ALA 32 H ALA 32 -9.033 -11.232 -7.207
213 HA ALA 32 HA ALA 32 -9.270 -9.416 -5.012
214 HB1 ALA 32 1HB ALA 32 -11.677 -10.090 -5.042
215 HB2 ALA 32 2HB ALA 32 -11.024 -9.613 -6.615
216 HB3 ALA 32 3HB ALA 32 -11.265 -11.334 -6.256
217 H ARG 33 H ARG 33 -8.929 -12.956 -4.951
218 HA ARG 33 HA ARG 33 -9.592 -12.932 -2.031
219 HB3 ARG 33 2HB ARG 33 -9.498 -15.351 -2.157
220 HG3 ARG 33 2HG ARG 33 -11.038 -14.387 -4.592
221 HD3 ARG 33 2HD ARG 33 -10.777 -16.934 -4.012
222 HE ARG 33 HE ARG 33 -11.529 -17.226 -1.813
223 HH11 ARG 33 1HH1 ARG 33 -14.164 -15.860 -3.832
224 HH12 ARG 33 2HH1 ARG 33 -15.272 -15.804 -2.509
225 HH21 ARG 33 1HH2 ARG 33 -13.093 -17.180 -0.124
226 HH22 ARG 33 2HH2 ARG 33 -14.686 -16.563 -0.432
227 H ALA 34 H ALA 34 -6.788 -13.220 -4.187
228 HA ALA 34 HA ALA 34 -5.060 -13.886 -1.861
229 HB1 ALA 34 1HB ALA 34 -4.084 -15.724 -3.142
230 HB2 ALA 34 2HB ALA 34 -5.823 -15.976 -2.949
231 HB3 ALA 34 3HB ALA 34 -5.176 -15.393 -4.501
232 H GLY 35 H GLY 35 -5.470 -11.485 -3.901
233 HA2 GLY 35 1HA GLY 35 -2.916 -11.265 -5.243
234 HA3 GLY 35 2HA GLY 35 -4.048 -9.958 -4.874
235 H ALA 36 H ALA 36 -0.996 -10.472 -4.428
236 HA ALA 36 HA ALA 36 -0.718 -9.720 -1.593
237 HB1 ALA 36 1HB ALA 36 1.172 -9.508 -3.986
238 HB2 ALA 36 2HB ALA 36 1.596 -9.060 -2.319
239 HB3 ALA 36 3HB ALA 36 1.199 -10.740 -2.703
240 H VAL 37 H VAL 37 -0.013 -7.460 -1.028
241 HA VAL 37 HA VAL 37 -1.234 -5.430 -2.834
242 HB VAL 37 HB VAL 37 -1.577 -5.582 0.181
243 HG11 VAL 37 1HG1 VAL 37 -3.341 -3.858 -0.206
244 HG12 VAL 37 2HG1 VAL 37 -1.756 -3.285 -0.724
245 HG13 VAL 37 3HG1 VAL 37 -2.930 -3.829 -1.933
246 HG21 VAL 37 3HG2 VAL 37 -3.970 -6.129 -0.279
247 HG22 VAL 37 1HG2 VAL 37 -3.549 -6.383 -1.987
248 HG23 VAL 37 2HG2 VAL 37 -2.861 -7.425 -0.727
249 H LEU 38 H LEU 38 0.003 -3.683 -3.205
250 HA LEU 38 HA LEU 38 2.129 -2.871 -1.339
251 HB3 LEU 38 2HB LEU 38 2.270 -1.152 -3.393
252 HG LEU 38 HG LEU 38 4.139 -2.408 -3.083
253 HD11 LEU 38 1HD1 LEU 38 2.620 -4.904 -3.552
254 HD12 LEU 38 2HD1 LEU 38 3.508 -4.362 -2.118
255 HD13 LEU 38 3HD1 LEU 38 4.399 -4.837 -3.577
256 HD21 LEU 38 3HD2 LEU 38 4.774 -3.224 -5.341
257 HD22 LEU 38 1HD2 LEU 38 3.879 -1.695 -5.398
258 HD23 LEU 38 2HD2 LEU 38 3.061 -3.216 -5.783
259 H VAL 39 H VAL 39 1.952 -0.939 -0.375
260 HA VAL 39 HA VAL 39 -0.337 0.843 -1.038
261 HB VAL 39 HB VAL 39 0.557 0.244 1.808
262 HG11 VAL 39 1HG1 VAL 39 -1.254 1.827 2.443
263 HG12 VAL 39 2HG1 VAL 39 -0.045 2.631 1.455
264 HG13 VAL 39 3HG1 VAL 39 -1.586 2.143 0.729
265 HG21 VAL 39 3HG2 VAL 39 -1.578 -0.748 2.196
266 HG22 VAL 39 1HG2 VAL 39 -2.190 -0.275 0.601
267 HG23 VAL 39 2HG2 VAL 39 -0.945 -1.525 0.764
268 H LYS 40 H LYS 40 0.845 2.238 -2.201
269 HA LYS 40 HA LYS 40 3.438 3.263 -1.162
270 HB3 LYS 40 2HB LYS 40 1.798 3.737 -3.678
271 HG3 LYS 40 2HG LYS 40 4.524 4.894 -2.918
272 HD3 LYS 40 2HD LYS 40 2.898 4.877 -5.495
273 HE3 LYS 40 2HE LYS 40 5.082 6.775 -4.559
274 HZ1 LYS 40 3HZ LYS 40 5.206 7.553 -6.734
275 HZ2 LYS 40 1HZ LYS 40 3.704 7.094 -7.121
276 HZ3 LYS 40 2HZ LYS 40 4.896 5.982 -7.171
277 H ALA 41 H ALA 41 3.453 5.413 -0.178
278 HA ALA 41 HA ALA 41 0.890 6.807 0.075
279 HB1 ALA 41 1HB ALA 41 0.993 6.916 2.507
280 HB2 ALA 41 2HB ALA 41 0.868 5.225 2.002
281 HB3 ALA 41 3HB ALA 41 2.440 5.877 2.531
282 H VAL 42 H VAL 42 1.235 9.016 0.142
283 HA VAL 42 HA VAL 42 4.072 9.921 0.080
284 HB VAL 42 HB VAL 42 1.865 10.540 -1.901
285 HG11 VAL 42 1HG1 VAL 42 4.866 10.689 -2.406
286 HG12 VAL 42 2HG1 VAL 42 3.545 11.478 -3.294
287 HG13 VAL 42 3HG1 VAL 42 4.006 12.062 -1.681
288 HG21 VAL 42 3HG2 VAL 42 4.046 8.416 -2.177
289 HG22 VAL 42 1HG2 VAL 42 2.287 8.159 -2.196
290 HG23 VAL 42 2HG2 VAL 42 3.052 9.027 -3.520
291 H ASP 43 H ASP 43 4.406 11.659 1.262
292 HA ASP 43 HA ASP 43 2.355 13.070 2.675
293 HB3 ASP 43 2HB ASP 43 4.226 14.441 3.525
294 H ARG 44 H ARG 44 1.063 14.379 1.310
295 HA ARG 44 HA ARG 44 2.114 15.944 -0.843
296 HB3 ARG 44 2HB ARG 44 -0.095 17.211 -0.754
297 HG3 ARG 44 2HG ARG 44 -1.596 15.218 -1.111
298 HD3 ARG 44 2HD ARG 44 -0.151 14.370 -3.148
299 HE ARG 44 HE ARG 44 -1.684 16.672 -2.836
300 HH11 ARG 44 1HH1 ARG 44 1.076 15.743 -4.885
301 HH12 ARG 44 2HH1 ARG 44 1.004 17.160 -5.861
302 HH21 ARG 44 1HH2 ARG 44 -2.118 18.241 -4.423
303 HH22 ARG 44 2HH2 ARG 44 -1.103 18.425 -5.789
304 H ARG 45 H ARG 45 2.588 16.688 2.500
305 HA ARG 45 HA ARG 45 2.746 19.603 1.871
306 HB3 ARG 45 2HB ARG 45 3.815 19.480 4.354
307 HG3 ARG 45 2HG ARG 45 0.960 19.667 3.400
308 HD3 ARG 45 2HD ARG 45 0.878 18.759 5.674
309 HE ARG 45 HE ARG 45 2.226 21.244 6.650
310 HH11 ARG 45 1HH1 ARG 45 2.374 17.674 6.602
311 HH12 ARG 45 2HH1 ARG 45 2.788 17.601 8.302
312 HH21 ARG 45 1HH2 ARG 45 3.094 21.010 8.837
313 HH22 ARG 45 2HH2 ARG 45 3.107 19.389 9.504
314 H GLU 46 H GLU 46 5.029 17.067 3.118
315 HA GLU 46 HA GLU 46 7.185 18.923 2.446
316 HB3 GLU 46 2HB GLU 46 8.633 17.304 3.567
317 HG3 GLU 46 2HG GLU 46 6.183 17.590 5.327
318 H GLY 47 H GLY 47 5.669 16.161 0.860
319 HA2 GLY 47 1HA GLY 47 6.160 15.279 -1.206
320 HA3 GLY 47 2HA GLY 47 7.662 16.210 -1.301
321 H THR 48 H THR 48 7.237 14.559 1.739
322 HA THR 48 HA THR 48 9.338 12.659 1.261
323 HB THR 48 HB THR 48 8.071 11.849 3.528
324 HG1 THR 48 1HG THR 48 6.891 13.376 4.355
325 HG21 THR 48 3HG2 THR 48 10.467 12.469 3.316
326 HG22 THR 48 1HG2 THR 48 9.729 13.166 4.770
327 HG23 THR 48 2HG2 THR 48 10.005 14.189 3.344
328 H ALA 49 H ALA 49 9.037 10.476 0.733
329 HA ALA 49 HA ALA 49 6.236 9.577 0.252
330 HB1 ALA 49 1HB ALA 49 8.595 9.386 -1.664
331 HB2 ALA 49 2HB ALA 49 6.995 8.642 -1.915
332 HB3 ALA 49 3HB ALA 49 7.174 10.408 -1.874
333 H ARG 50 H ARG 50 5.862 7.436 0.508
334 HA ARG 50 HA ARG 50 8.116 5.653 1.295
335 HB3 ARG 50 2HB ARG 50 6.264 4.716 2.983
336 HG3 ARG 50 2HG ARG 50 6.995 6.158 4.780
337 HD3 ARG 50 2HD ARG 50 8.570 4.464 3.352
338 HE ARG 50 HE ARG 50 9.644 6.889 2.599
339 HH11 ARG 50 1HH1 ARG 50 10.774 4.068 4.422
340 HH12 ARG 50 2HH1 ARG 50 12.414 4.569 4.521
341 HH21 ARG 50 1HH2 ARG 50 11.899 7.456 2.446
342 HH22 ARG 50 2HH2 ARG 50 13.104 6.431 3.158
343 H LEU 51 H LEU 51 7.526 3.356 1.297
344 HA LEU 51 HA LEU 51 5.170 2.715 -0.325
345 HB3 LEU 51 2HB LEU 51 7.581 1.162 -1.137
346 HG LEU 51 HG LEU 51 5.285 2.576 -2.568
347 HD11 LEU 51 1HD1 LEU 51 7.789 1.307 -3.663
348 HD12 LEU 51 2HD1 LEU 51 7.146 2.930 -3.971
349 HD13 LEU 51 3HD1 LEU 51 6.331 1.512 -4.659
350 HD21 LEU 51 3HD2 LEU 51 4.763 0.316 -1.650
351 HD22 LEU 51 1HD2 LEU 51 6.155 -0.333 -2.582
352 HD23 LEU 51 2HD2 LEU 51 4.732 0.362 -3.414
353 H PHE 52 H PHE 52 4.226 0.884 0.338
354 HA PHE 52 HA PHE 52 5.730 -0.737 2.368
355 HB3 PHE 52 2HB PHE 52 3.598 -1.076 3.540
356 HD1 PHE 52 2HD PHE 52 5.493 -0.254 5.052
357 HD2 PHE 52 1HD PHE 52 2.933 2.443 2.852
358 HE1 PHE 52 2HE PHE 52 6.163 1.611 6.532
359 HE2 PHE 52 1HE PHE 52 3.663 4.317 4.307
360 HZ PHE 52 HZ PHE 52 5.296 3.914 6.134
361 H SER 53 H SER 53 5.521 -2.934 2.158
362 HA SER 53 HA SER 53 3.746 -3.990 0.030
363 HB3 SER 53 2HB SER 53 6.639 -4.758 0.603
364 HG SER 53 HG SER 53 4.900 -5.536 -1.511
365 H GLU 54 H GLU 54 2.892 -6.063 0.597
366 HA GLU 54 HA GLU 54 2.904 -6.590 3.426
367 HB3 GLU 54 2HB GLU 54 0.936 -7.015 1.998
368 HG3 GLU 54 2HG GLU 54 2.688 -9.215 0.878
369 H ALA 55 H ALA 55 3.656 -8.522 4.448
370 HA ALA 55 HA ALA 55 5.033 -10.530 2.957
371 HB1 ALA 55 1HB ALA 55 7.016 -9.217 3.475
372 HB2 ALA 55 2HB ALA 55 6.490 -9.003 5.160
373 HB3 ALA 55 3HB ALA 55 6.984 -10.610 4.568
374 H THR 56 H THR 56 5.189 -12.498 4.492
375 HA THR 56 HA THR 56 3.357 -12.283 6.805
376 HB THR 56 HB THR 56 2.804 -14.776 5.903
377 HG1 THR 56 1HG THR 56 2.403 -13.561 3.491
378 HG21 THR 56 3HG2 THR 56 0.680 -13.879 5.068
379 HG22 THR 56 1HG2 THR 56 1.374 -12.236 5.037
380 HG23 THR 56 2HG2 THR 56 1.162 -13.101 6.573
381 H ARG 57 H ARG 57 4.110 -13.202 8.615
382 HA ARG 57 HA ARG 57 6.816 -14.232 8.636
383 HB3 ARG 57 2HB ARG 57 6.579 -14.462 10.995
384 HG3 ARG 57 2HG ARG 57 4.818 -12.039 10.666
385 HD3 ARG 57 2HD ARG 57 6.979 -12.982 12.438
386 HE ARG 57 HE ARG 57 7.310 -10.192 12.425
387 HH11 ARG 57 1HH1 ARG 57 8.454 -12.989 10.580
388 HH12 ARG 57 2HH1 ARG 57 9.685 -12.116 9.727
389 HH21 ARG 57 1HH2 ARG 57 9.012 -9.054 11.394
390 HH22 ARG 57 2HH2 ARG 57 10.107 -9.868 10.341
391 H GLY 58 H GLY 58 7.179 -16.298 10.116
392 HA2 GLY 58 1HA GLY 58 6.380 -18.622 8.744
393 HA3 GLY 58 2HA GLY 58 7.120 -18.551 10.344
394 H ASP 59 H ASP 59 4.264 -16.829 10.689
395 HA ASP 59 HA ASP 59 2.649 -19.284 11.047
396 HB3 ASP 59 2HB ASP 59 2.333 -16.935 12.855
397 H GLY 60 H GLY 60 2.968 -17.109 8.871
398 HA2 GLY 60 1HA GLY 60 1.571 -16.138 7.343
399 HA3 GLY 60 2HA GLY 60 0.199 -16.877 8.168
400 H GLU 61 H GLU 61 2.249 -14.923 10.214
401 HA GLU 61 HA GLU 61 0.141 -12.992 10.752
402 HB3 GLU 61 2HB GLU 61 3.043 -13.376 11.551
403 HG3 GLU 61 2HG GLU 61 1.158 -11.425 12.895
404 H ARG 62 H ARG 62 -0.304 -11.482 9.146
405 HA ARG 62 HA ARG 62 1.740 -10.848 7.187
406 HB3 ARG 62 2HB ARG 62 -1.011 -9.626 7.601
407 HG3 ARG 62 2HG ARG 62 1.070 -9.494 5.428
408 HD3 ARG 62 2HD ARG 62 -0.821 -10.819 4.463
409 HE ARG 62 HE ARG 62 -2.483 -8.951 5.605
410 HH11 ARG 62 1HH1 ARG 62 -1.922 -9.700 2.115
411 HH12 ARG 62 2HH1 ARG 62 -3.597 -9.820 1.765
412 HH21 ARG 62 1HH2 ARG 62 -4.582 -8.614 5.006
413 HH22 ARG 62 2HH2 ARG 62 -5.183 -9.112 3.460
414 H PHE 63 H PHE 63 2.711 -8.826 6.872
415 HA PHE 63 HA PHE 63 2.214 -6.676 8.784
416 HB3 PHE 63 2HB PHE 63 3.982 -7.828 9.924
417 HD1 PHE 63 1HD PHE 63 4.508 -10.009 8.433
418 HD2 PHE 63 2HD PHE 63 6.714 -6.284 8.239
419 HE1 PHE 63 1HE PHE 63 6.521 -11.215 7.646
420 HE2 PHE 63 2HE PHE 63 8.720 -7.528 7.545
421 HZ PHE 63 HZ PHE 63 8.634 -9.994 7.236
422 H TRP 64 H TRP 64 3.232 -4.649 8.069
423 HA TRP 64 HA TRP 64 3.498 -4.438 5.107
424 HB3 TRP 64 2HB TRP 64 3.341 -1.975 5.643
425 HD1 TRP 64 HD TRP 64 0.526 -2.479 7.875
426 HE1 TRP 64 1HE TRP 64 -1.683 -2.654 6.540
427 HE3 TRP 64 3HE TRP 64 2.484 -3.307 3.245
428 HZ2 TRP 64 2HZ TRP 64 -2.462 -3.382 3.840
429 HZ3 TRP 64 3HZ TRP 64 1.022 -3.833 1.340
430 HH2 TRP 64 HH TRP 64 -1.450 -3.944 1.644
431 H MET 65 H MET 65 5.581 -4.944 4.687
432 HA MET 65 HA MET 65 7.730 -3.822 6.374
433 HB3 MET 65 2HB MET 65 7.900 -6.186 5.818
434 HG3 MET 65 2HG MET 65 7.479 -5.284 3.053
435 HE1 MET 65 3HE MET 65 9.599 -8.405 4.292
436 HE2 MET 65 1HE MET 65 11.240 -7.875 3.846
437 HE3 MET 65 2HE MET 65 10.354 -7.011 5.100
438 H GLN 66 H GLN 66 9.641 -3.006 5.087
439 HA GLN 66 HA GLN 66 8.768 -1.264 2.846
440 HB3 GLN 66 2HB GLN 66 10.498 0.341 3.641
441 HG3 GLN 66 2HG GLN 66 8.350 -0.104 5.742
442 HE21 GLN 66 1HE2 GLN 66 8.324 1.675 7.128
443 HE22 GLN 66 2HE2 GLN 66 8.969 3.255 6.687
444 HA PRO 67 HA PRO 67 12.116 -4.109 1.447
445 HB3 PRO 67 2HB PRO 67 10.587 -5.439 0.353
446 HG3 PRO 67 2HG PRO 67 8.559 -4.540 -0.482
447 HD3 PRO 67 2HD PRO 67 8.629 -3.914 1.789
448 H VAL 68 H VAL 68 11.150 -0.907 0.488
449 HA VAL 68 HA VAL 68 13.807 -0.628 -0.760
450 HB VAL 68 HB VAL 68 12.438 -0.586 -2.608
451 HG11 VAL 68 1HG1 VAL 68 10.534 1.352 -1.278
452 HG12 VAL 68 2HG1 VAL 68 10.523 0.904 -2.997
453 HG13 VAL 68 3HG1 VAL 68 10.212 -0.329 -1.776
454 HG21 VAL 68 3HG2 VAL 68 14.183 1.183 -2.402
455 HG22 VAL 68 1HG2 VAL 68 12.879 1.582 -3.535
456 HG23 VAL 68 2HG2 VAL 68 12.911 2.335 -1.926
457 H ARG 69 H ARG 69 14.725 -0.129 1.038
458 HA ARG 69 HA ARG 69 13.865 2.101 2.772
459 HB3 ARG 69 2HB ARG 69 16.398 0.423 2.788
460 HG3 ARG 69 2HG ARG 69 16.423 2.567 4.198
461 HD3 ARG 69 2HD ARG 69 13.997 2.132 5.090
462 HE ARG 69 HE ARG 69 14.035 0.055 6.144
463 HH11 ARG 69 1HH1 ARG 69 16.190 2.317 7.903
464 HH12 ARG 69 2HH1 ARG 69 16.385 1.222 9.228
465 HH21 ARG 69 1HH2 ARG 69 14.171 -1.186 7.945
466 HH22 ARG 69 2HH2 ARG 69 15.198 -0.785 9.289
467 H SER 70 H SER 70 13.847 3.169 0.487
468 HA SER 70 HA SER 70 16.154 4.970 0.350
469 HB3 SER 70 2HB SER 70 14.874 3.799 -2.140
470 HG SER 70 HG SER 70 16.591 4.824 -3.127
471 H THR 71 H THR 71 15.345 6.879 -0.957
472 HA THR 71 HA THR 71 12.500 7.477 -0.362
473 HB THR 71 HB THR 71 14.057 7.700 1.629
474 HG1 THR 71 1HG THR 71 12.930 9.850 2.018
475 HG21 THR 71 3HG2 THR 71 15.280 9.741 1.769
476 HG22 THR 71 1HG2 THR 71 14.610 10.259 0.199
477 HG23 THR 71 2HG2 THR 71 15.745 8.900 0.265
478 H PHE 72 H PHE 72 14.762 7.375 -2.653
479 HA PHE 72 HA PHE 72 14.289 9.954 -3.984
480 HB3 PHE 72 2HB PHE 72 14.873 8.319 -6.039
481 HD1 PHE 72 1HD PHE 72 15.579 10.961 -5.726
482 HD2 PHE 72 2HD PHE 72 17.808 7.479 -4.443
483 HE1 PHE 72 1HE PHE 72 17.681 12.278 -5.768
484 HE2 PHE 72 2HE PHE 72 19.893 8.813 -4.499
485 HZ PHE 72 HZ PHE 72 19.827 11.216 -5.137
486 H GLU 73 H GLU 73 12.520 10.495 -5.152
487 HA GLU 73 HA GLU 73 10.124 9.110 -5.242
488 HB3 GLU 73 2HB GLU 73 11.391 11.115 -7.152
489 HG3 GLU 73 2HG GLU 73 8.420 10.644 -6.763
490 HA PRO 74 HA PRO 74 11.118 6.864 -9.273
491 HB3 PRO 74 2HB PRO 74 12.294 8.268 -10.702
492 HG3 PRO 74 2HG PRO 74 14.281 9.429 -9.961
493 HD3 PRO 74 2HD PRO 74 12.393 10.100 -8.719
494 H ASP 75 H ASP 75 12.901 6.557 -6.412
495 HA ASP 75 HA ASP 75 13.922 3.823 -7.062
496 HB3 ASP 75 2HB ASP 75 14.089 3.846 -4.436
497 H LEU 76 H LEU 76 11.274 5.619 -5.612
498 HA LEU 76 HA LEU 76 10.065 3.282 -4.336
499 HB3 LEU 76 2HB LEU 76 8.298 4.989 -3.730
500 HG LEU 76 HG LEU 76 11.188 5.784 -3.133
501 HD11 LEU 76 1HD1 LEU 76 8.618 6.795 -1.875
502 HD12 LEU 76 2HD1 LEU 76 9.744 7.728 -2.893
503 HD13 LEU 76 3HD1 LEU 76 10.265 7.153 -1.304
504 HD21 LEU 76 3HD2 LEU 76 10.499 3.576 -2.204
505 HD22 LEU 76 1HD2 LEU 76 9.156 4.390 -1.359
506 HD23 LEU 76 2HD2 LEU 76 10.832 4.783 -0.960
507 H ASP 77 H ASP 77 9.189 5.597 -6.998
508 HA ASP 77 HA ASP 77 6.837 4.178 -7.627
509 HB3 ASP 77 2HB ASP 77 8.400 5.758 -9.695
510 H ALA 78 H ALA 78 10.110 3.672 -8.749
511 HA ALA 78 HA ALA 78 9.793 1.770 -10.796
512 HB1 ALA 78 1HB ALA 78 11.943 2.786 -10.219
513 HB2 ALA 78 2HB ALA 78 11.924 2.000 -8.631
514 HB3 ALA 78 3HB ALA 78 12.058 1.019 -10.107
515 H TYR 79 H TYR 79 9.586 1.323 -7.256
516 HA TYR 79 HA TYR 79 9.756 -1.530 -7.292
517 HB3 TYR 79 2HB TYR 79 8.118 0.131 -5.378
518 HD1 TYR 79 1HD TYR 79 11.020 -2.014 -4.597
519 HD2 TYR 79 2HD TYR 79 6.723 -1.787 -4.840
520 HE1 TYR 79 1HE TYR 79 10.860 -4.187 -3.450
521 HE2 TYR 79 2HE TYR 79 6.546 -4.027 -3.762
522 HH TYR 79 HH TYR 79 7.744 -5.923 -3.144
523 H ALA 80 H ALA 80 6.970 0.715 -7.400
524 HA ALA 80 HA ALA 80 5.038 -1.440 -7.545
525 HB1 ALA 80 1HB ALA 80 4.430 0.600 -6.410
526 HB2 ALA 80 2HB ALA 80 4.761 1.570 -7.857
527 HB3 ALA 80 3HB ALA 80 3.402 0.426 -7.845
528 H GLU 81 H GLU 81 7.076 -0.038 -9.988
529 HA GLU 81 HA GLU 81 5.335 -0.853 -12.192
530 HB3 GLU 81 2HB GLU 81 8.121 0.299 -11.870
531 HG3 GLU 81 2HG GLU 81 7.117 -1.269 -14.273
532 H ARG 82 H ARG 82 8.347 -1.880 -10.514
533 HA ARG 82 HA ARG 82 8.607 -4.138 -12.134
534 HB3 ARG 82 2HB ARG 82 9.836 -3.607 -9.379
535 HG3 ARG 82 2HG ARG 82 10.545 -5.467 -11.683
536 HD3 ARG 82 2HD ARG 82 12.475 -3.972 -10.792
537 HE ARG 82 HE ARG 82 12.039 -5.755 -8.474
538 HH11 ARG 82 1HH1 ARG 82 14.175 -3.344 -9.895
539 HH12 ARG 82 2HH1 ARG 82 15.500 -3.637 -8.850
540 HH21 ARG 82 1HH2 ARG 82 13.568 -5.922 -6.893
541 HH22 ARG 82 2HH2 ARG 82 15.106 -5.084 -6.966
542 H ALA 83 H ALA 83 7.177 -3.947 -8.870
543 HA ALA 83 HA ALA 83 7.036 -6.767 -8.550
544 HB1 ALA 83 1HB ALA 83 5.168 -4.642 -7.378
545 HB2 ALA 83 2HB ALA 83 5.455 -6.276 -6.742
546 HB3 ALA 83 3HB ALA 83 6.740 -5.056 -6.694
547 H ALA 84 H ALA 84 4.756 -4.453 -9.995
548 HA ALA 84 HA ALA 84 2.731 -6.436 -10.565
549 HB1 ALA 84 1HB ALA 84 3.246 -3.655 -11.699
550 HB2 ALA 84 2HB ALA 84 1.811 -4.659 -12.040
551 HB3 ALA 84 3HB ALA 84 2.102 -4.096 -10.402
552 H ARG 85 H ARG 85 5.793 -6.013 -12.017
553 HA ARG 85 HA ARG 85 4.798 -6.667 -14.735
554 HB3 ARG 85 2HB ARG 85 7.580 -6.873 -14.756
555 HG3 ARG 85 2HG ARG 85 6.382 -4.163 -15.247
556 HD3 ARG 85 2HD ARG 85 7.995 -6.176 -16.877
557 HE ARG 85 HE ARG 85 7.440 -4.607 -18.443
558 HH11 ARG 85 1HH1 ARG 85 8.518 -2.772 -15.628
559 HH12 ARG 85 2HH1 ARG 85 8.670 -1.285 -16.496
560 HH21 ARG 85 1HH2 ARG 85 7.871 -2.754 -19.629
561 HH22 ARG 85 2HH2 ARG 85 8.457 -1.312 -18.863
562 H ILE 86 H ILE 86 6.060 -8.269 -12.043
563 HA ILE 86 HA ILE 86 5.883 -10.853 -13.573
564 HB ILE 86 HB ILE 86 7.301 -10.628 -10.904
565 HG13 ILE 86 2HG1 ILE 86 8.454 -10.252 -13.702
566 HG21 ILE 86 1HG2 ILE 86 6.672 -12.897 -11.576
567 HG22 ILE 86 2HG2 ILE 86 7.322 -12.650 -13.207
568 HG23 ILE 86 3HG2 ILE 86 8.401 -12.734 -11.806
569 HD11 ILE 86 3HD1 ILE 86 9.962 -8.614 -12.336
570 HD12 ILE 86 1HD1 ILE 86 8.343 -8.072 -12.758
571 HD13 ILE 86 2HD1 ILE 86 8.673 -8.670 -11.120
572 H ASP 87 H ASP 87 4.507 -9.095 -10.800
573 HA ASP 87 HA ASP 87 2.713 -11.380 -10.232
574 HB3 ASP 87 2HB ASP 87 1.979 -9.959 -8.344
575 HA PRO 88 HA PRO 88 0.166 -8.633 -12.968
576 HB3 PRO 88 2HB PRO 88 0.162 -10.277 -14.632
577 HG3 PRO 88 2HG PRO 88 0.226 -12.606 -14.050
578 HD3 PRO 88 2HD PRO 88 2.126 -11.666 -13.051
579 H ASP 89 H ASP 89 -0.367 -10.690 -10.287
580 HA ASP 89 HA ASP 89 -3.218 -9.995 -9.928
581 HB3 ASP 89 2HB ASP 89 -3.073 -11.791 -8.170
582 H ILE 90 H ILE 90 -0.436 -8.413 -9.169
583 HA ILE 90 HA ILE 90 -0.867 -8.139 -6.296
584 HB ILE 90 HB ILE 90 1.353 -7.987 -7.527
585 HG13 ILE 90 2HG1 ILE 90 0.994 -7.491 -5.148
586 HG21 ILE 90 1HG2 ILE 90 2.119 -5.876 -8.386
587 HG22 ILE 90 2HG2 ILE 90 0.640 -6.313 -9.258
588 HG23 ILE 90 3HG2 ILE 90 0.584 -5.079 -7.980
589 HD11 ILE 90 3HD1 ILE 90 3.030 -5.476 -6.069
590 HD12 ILE 90 1HD1 ILE 90 3.104 -6.639 -4.742
591 HD13 ILE 90 2HD1 ILE 90 3.285 -7.217 -6.396
592 H TRP 91 H TRP 91 -1.593 -6.290 -5.269
593 HA TRP 91 HA TRP 91 -3.290 -4.381 -6.849
594 HB3 TRP 91 2HB TRP 91 -4.210 -3.856 -4.569
595 HD1 TRP 91 HD TRP 91 -3.781 -7.687 -4.904
596 HE1 TRP 91 1HE TRP 91 -6.065 -8.751 -5.400
597 HE3 TRP 91 3HE TRP 91 -6.535 -3.459 -5.311
598 HZ2 TRP 91 2HZ TRP 91 -8.698 -7.820 -6.257
599 HZ3 TRP 91 3HZ TRP 91 -8.960 -3.543 -5.948
600 HH2 TRP 91 HH TRP 91 -10.023 -5.727 -6.405
601 H VAL 92 H VAL 92 -2.849 -2.218 -6.693
602 HA VAL 92 HA VAL 92 -0.484 -1.358 -5.117
603 HB VAL 92 HB VAL 92 -1.337 -0.413 -7.876
604 HG11 VAL 92 1HG1 VAL 92 1.089 0.374 -6.182
605 HG12 VAL 92 2HG1 VAL 92 0.714 0.976 -7.816
606 HG13 VAL 92 3HG1 VAL 92 -0.339 1.391 -6.457
607 HG21 VAL 92 3HG2 VAL 92 0.764 -1.309 -8.734
608 HG22 VAL 92 1HG2 VAL 92 1.165 -1.968 -7.121
609 HG23 VAL 92 2HG2 VAL 92 -0.206 -2.607 -8.046
610 H VAL 93 H VAL 93 -1.537 -0.376 -3.444
611 HA VAL 93 HA VAL 93 -3.858 1.383 -4.029
612 HB VAL 93 HB VAL 93 -2.504 0.535 -1.437
613 HG11 VAL 93 1HG1 VAL 93 -4.995 2.199 -1.952
614 HG12 VAL 93 2HG1 VAL 93 -4.489 1.581 -0.363
615 HG13 VAL 93 3HG1 VAL 93 -3.482 2.745 -1.204
616 HG21 VAL 93 3HG2 VAL 93 -4.569 -0.780 -1.034
617 HG22 VAL 93 1HG2 VAL 93 -5.145 -0.356 -2.663
618 HG23 VAL 93 2HG2 VAL 93 -3.699 -1.365 -2.451
619 H GLU 94 H GLU 94 -3.578 3.613 -3.929
620 HA GLU 94 HA GLU 94 -0.935 4.666 -3.117
621 HB3 GLU 94 2HB GLU 94 -1.359 6.424 -4.870
622 HG3 GLU 94 2HG GLU 94 -1.363 3.752 -6.303
623 H ILE 95 H ILE 95 -1.015 6.317 -1.735
624 HA ILE 95 HA ILE 95 -3.622 7.529 -1.048
625 HB ILE 95 HB ILE 95 -1.466 6.819 0.993
626 HG13 ILE 95 2HG1 ILE 95 -2.678 4.980 1.891
627 HG21 ILE 95 1HG2 ILE 95 -2.889 8.614 1.710
628 HG22 ILE 95 2HG2 ILE 95 -4.352 7.702 1.305
629 HG23 ILE 95 3HG2 ILE 95 -3.306 7.176 2.647
630 HD11 ILE 95 3HD1 ILE 95 -5.018 5.488 1.078
631 HD12 ILE 95 1HD1 ILE 95 -4.485 4.970 -0.539
632 HD13 ILE 95 2HD1 ILE 95 -4.473 3.828 0.805
633 H GLU 96 H GLU 96 -3.369 9.780 -1.183
634 HA GLU 96 HA GLU 96 -0.648 10.967 -0.883
635 HB3 GLU 96 2HB GLU 96 -1.511 12.682 -2.480
636 HG3 GLU 96 2HG GLU 96 -1.336 9.819 -3.510
637 H ASP 97 H ASP 97 -0.689 11.850 1.068
638 HA ASP 97 HA ASP 97 -3.054 13.493 1.931
639 HB3 ASP 97 2HB ASP 97 -1.668 11.380 3.625
640 H ARG 98 H ARG 98 -2.536 15.237 3.204
641 HA ARG 98 HA ARG 98 -0.029 16.446 2.594
642 HB3 ARG 98 2HB ARG 98 -0.790 18.273 3.953
643 HG3 ARG 98 2HG ARG 98 -3.409 17.158 2.939
644 HD3 ARG 98 2HD ARG 98 -2.804 19.590 3.944
645 HE ARG 98 HE ARG 98 -1.433 19.702 1.487
646 HH11 ARG 98 1HH1 ARG 98 -4.105 21.501 2.990
647 HH12 ARG 98 2HH1 ARG 98 -4.118 22.705 1.717
648 HH21 ARG 98 1HH2 ARG 98 -1.332 21.329 0.038
649 HH22 ARG 98 2HH2 ARG 98 -2.303 22.769 0.141
650 H ASP 99 H ASP 99 -1.111 14.901 5.595
651 HA ASP 99 HA ASP 99 1.197 16.035 6.998
652 HB3 ASP 99 2HB ASP 99 -0.658 14.170 8.396
653 H GLY 100 H GLY 100 0.644 13.245 5.222
654 HA2 GLY 100 1HA GLY 100 2.165 11.448 4.885
655 HA3 GLY 100 2HA GLY 100 2.970 11.822 6.417
656 H ARG 101 H ARG 101 -0.306 10.986 5.205
657 HA ARG 101 HA ARG 101 -0.577 8.933 7.358
658 HB3 ARG 101 2HB ARG 101 -3.015 9.031 6.742
659 HG3 ARG 101 2HG ARG 101 -2.002 11.806 7.496
660 HD3 ARG 101 2HD ARG 101 -4.529 10.168 7.917
661 HE ARG 101 HE ARG 101 -3.987 12.908 8.991
662 HH11 ARG 101 1HH1 ARG 101 -5.337 9.678 9.468
663 HH12 ARG 101 2HH1 ARG 101 -5.527 9.810 11.172
664 HH21 ARG 101 1HH2 ARG 101 -4.229 13.176 11.119
665 HH22 ARG 101 2HH2 ARG 101 -4.897 11.968 12.200
666 H HIS 102 H HIS 102 -1.647 7.100 6.874
667 HA HIS 102 HA HIS 102 -1.265 6.057 4.106
668 HB3 HIS 102 2HB HIS 102 0.263 4.549 4.762
669 HD1 HIS 102 1HD HIS 102 1.071 5.141 8.250
670 HD2 HIS 102 2HD HIS 102 1.762 7.071 4.571
671 HE1 HIS 102 1HE HIS 102 2.937 6.840 8.648
672 H PHE 103 H PHE 103 -3.036 6.182 7.107
673 HA PHE 103 HA PHE 103 -4.935 5.426 7.860
674 HB3 PHE 103 2HB PHE 103 -6.707 4.972 6.001
675 HD1 PHE 103 1HD PHE 103 -7.489 6.416 7.895
676 HD2 PHE 103 2HD PHE 103 -4.885 7.966 4.803
677 HE1 PHE 103 1HE PHE 103 -8.180 8.755 8.439
678 HE2 PHE 103 2HE PHE 103 -5.658 10.233 5.295
679 HZ PHE 103 HZ PHE 103 -7.285 10.648 7.113
680 H LEU 104 H LEU 104 -2.823 3.245 7.323
681 HA LEU 104 HA LEU 104 -4.362 0.865 6.786
682 HB3 LEU 104 2HB LEU 104 -2.171 -0.265 7.406
683 HG LEU 104 HG LEU 104 -1.984 2.093 5.490
684 HD11 LEU 104 1HD1 LEU 104 -0.025 -0.194 5.813
685 HD12 LEU 104 2HD1 LEU 104 0.260 1.511 6.192
686 HD13 LEU 104 3HD1 LEU 104 -0.017 1.014 4.518
687 HD21 LEU 104 3HD2 LEU 104 -2.391 0.500 3.759
688 HD22 LEU 104 1HD2 LEU 104 -3.656 0.276 4.936
689 HD23 LEU 104 2HD2 LEU 104 -2.309 -0.870 4.882
690 H THR 105 H THR 105 -4.218 -1.045 8.322
691 HA THR 105 HA THR 105 -4.915 -0.173 11.088
692 HB THR 105 HB THR 105 -6.896 -0.541 9.769
693 HG1 THR 105 1HG THR 105 -6.335 -2.589 11.624
694 HG21 THR 105 3HG2 THR 105 -6.064 -3.432 9.320
695 HG22 THR 105 1HG2 THR 105 -6.042 -2.164 8.066
696 HG23 THR 105 2HG2 THR 105 -7.560 -2.646 8.804
697 H GLU 106 H GLU 106 -2.481 -1.678 9.578
698 HA GLU 106 HA GLU 106 -2.494 -4.175 11.198
699 HB3 GLU 106 2HB GLU 106 -1.220 -5.032 9.112
700 HG3 GLU 106 2HG GLU 106 -3.161 -5.112 7.608
701 HA PRO 107 HA PRO 107 1.571 -3.274 12.674
702 HB3 PRO 107 2HB PRO 107 1.930 -5.384 13.450
703 HG3 PRO 107 2HG PRO 107 0.962 -7.266 12.305
704 HD3 PRO 107 2HD PRO 107 -0.732 -5.620 12.697
705 H VAL 108 H VAL 108 3.328 -2.097 11.852
706 HA VAL 108 HA VAL 108 4.216 -2.643 9.106
707 HB VAL 108 HB VAL 108 2.489 -1.067 8.876
708 HG11 VAL 108 1HG1 VAL 108 3.739 0.870 10.809
709 HG12 VAL 108 2HG1 VAL 108 2.306 1.124 9.758
710 HG13 VAL 108 3HG1 VAL 108 2.251 -0.080 11.031
711 HG21 VAL 108 3HG2 VAL 108 5.036 0.585 8.666
712 HG22 VAL 108 1HG2 VAL 108 4.624 -0.711 7.533
713 HG23 VAL 108 2HG2 VAL 108 3.567 0.688 7.665
714 H GLU 109 H GLU 109 6.305 -2.174 8.595
715 HA GLU 109 HA GLU 109 8.136 -1.783 10.876
716 HB3 GLU 109 2HB GLU 109 9.654 -2.416 8.612
717 HG3 GLU 109 2HG GLU 109 9.367 -4.817 9.221
718 H SER 110 H SER 110 10.246 -0.830 10.204
719 HA SER 110 HA SER 110 10.013 1.656 8.580
720 HB3 SER 110 2HB SER 110 11.800 2.620 9.726
721 HG SER 110 HG SER 110 11.050 1.240 11.989
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -13.392 -19.798 10.986
2 HA2 GLY 1 1HA GLY 1 -13.441 -17.728 12.332
3 HA3 GLY 1 2HA GLY 1 -12.004 -17.823 11.288
4 H MET 2 H MET 2 -11.723 -15.607 10.820
5 HA MET 2 HA MET 2 -13.878 -14.113 9.443
6 HB3 MET 2 2HB MET 2 -11.979 -12.505 9.020
7 HG3 MET 2 2HG MET 2 -12.554 -13.412 11.868
8 HE1 MET 2 3HE MET 2 -11.990 -9.875 13.497
9 HE2 MET 2 1HE MET 2 -13.169 -10.078 12.187
10 HE3 MET 2 2HE MET 2 -13.021 -11.323 13.444
11 H LEU 3 H LEU 3 -13.505 -13.487 7.122
12 HA LEU 3 HA LEU 3 -11.685 -15.175 5.574
13 HB3 LEU 3 2HB LEU 3 -14.631 -15.020 4.823
14 HG LEU 3 HG LEU 3 -14.269 -17.296 3.970
15 HD11 LEU 3 1HD1 LEU 3 -12.277 -15.442 2.626
16 HD12 LEU 3 2HD1 LEU 3 -14.034 -15.374 2.409
17 HD13 LEU 3 3HD1 LEU 3 -13.139 -16.822 1.911
18 HD21 LEU 3 3HD2 LEU 3 -12.276 -17.795 5.464
19 HD22 LEU 3 1HD2 LEU 3 -11.276 -16.943 4.289
20 HD23 LEU 3 2HD2 LEU 3 -12.175 -18.368 3.780
21 H LEU 4 H LEU 4 -11.248 -12.600 6.131
22 HA LEU 4 HA LEU 4 -12.608 -10.699 4.356
23 HB3 LEU 4 2HB LEU 4 -10.605 -9.253 4.860
24 HG LEU 4 HG LEU 4 -12.502 -10.253 6.968
25 HD11 LEU 4 1HD1 LEU 4 -11.597 -8.817 8.696
26 HD12 LEU 4 2HD1 LEU 4 -10.237 -8.343 7.662
27 HD13 LEU 4 3HD1 LEU 4 -10.393 -10.025 8.226
28 HD21 LEU 4 3HD2 LEU 4 -13.165 -7.864 6.977
29 HD22 LEU 4 1HD2 LEU 4 -13.172 -8.507 5.329
30 HD23 LEU 4 2HD2 LEU 4 -11.834 -7.471 5.869
31 H SER 5 H SER 5 -12.202 -10.468 2.223
32 HA SER 5 HA SER 5 -9.888 -11.945 1.059
33 HB3 SER 5 2HB SER 5 -11.263 -11.811 -1.006
34 HG SER 5 HG SER 5 -13.039 -12.843 0.870
35 H THR 6 H THR 6 -8.960 -10.928 -0.902
36 HA THR 6 HA THR 6 -7.625 -8.686 -0.104
37 HB THR 6 HB THR 6 -7.905 -9.609 -2.981
38 HG1 THR 6 1HG THR 6 -5.724 -10.408 -1.622
39 HG21 THR 6 3HG2 THR 6 -5.759 -8.004 -1.519
40 HG22 THR 6 1HG2 THR 6 -6.807 -7.364 -2.799
41 HG23 THR 6 2HG2 THR 6 -5.608 -8.616 -3.173
42 H ASP 7 H ASP 7 -10.294 -8.765 -2.426
43 HA ASP 7 HA ASP 7 -10.384 -6.057 -3.211
44 HB3 ASP 7 2HB ASP 7 -12.559 -8.144 -2.855
45 H ILE 8 H ILE 8 -11.755 -7.682 -0.360
46 HA ILE 8 HA ILE 8 -13.607 -5.692 0.383
47 HB ILE 8 HB ILE 8 -12.246 -7.715 2.182
48 HG13 ILE 8 2HG1 ILE 8 -14.201 -9.097 1.825
49 HG21 ILE 8 1HG2 ILE 8 -13.255 -6.119 3.560
50 HG22 ILE 8 2HG2 ILE 8 -14.634 -5.881 2.455
51 HG23 ILE 8 3HG2 ILE 8 -14.481 -7.379 3.425
52 HD11 ILE 8 3HD1 ILE 8 -14.926 -7.360 -0.551
53 HD12 ILE 8 1HD1 ILE 8 -15.654 -8.909 -0.080
54 HD13 ILE 8 2HD1 ILE 8 -15.867 -7.487 0.961
55 H TRP 9 H TRP 9 -10.234 -6.328 1.461
56 HA TRP 9 HA TRP 9 -10.152 -4.195 3.370
57 HB3 TRP 9 2HB TRP 9 -7.713 -4.409 3.178
58 HD1 TRP 9 HD TRP 9 -9.581 -5.648 5.290
59 HE1 TRP 9 1HE TRP 9 -8.987 -7.905 6.325
60 HE3 TRP 9 3HE TRP 9 -6.883 -7.554 1.453
61 HZ2 TRP 9 2HZ TRP 9 -7.671 -10.382 5.469
62 HZ3 TRP 9 3HZ TRP 9 -5.963 -9.896 1.548
63 HH2 TRP 9 HH TRP 9 -6.321 -11.276 3.577
64 H VAL 10 H VAL 10 -9.080 -4.351 -0.097
65 HA VAL 10 HA VAL 10 -8.039 -1.723 -0.238
66 HB VAL 10 HB VAL 10 -9.455 -3.370 -2.387
67 HG11 VAL 10 1HG1 VAL 10 -7.673 -0.901 -2.637
68 HG12 VAL 10 2HG1 VAL 10 -8.157 -1.941 -3.994
69 HG13 VAL 10 3HG1 VAL 10 -9.379 -1.038 -3.109
70 HG21 VAL 10 3HG2 VAL 10 -6.463 -3.032 -1.934
71 HG22 VAL 10 1HG2 VAL 10 -7.396 -4.444 -1.371
72 HG23 VAL 10 2HG2 VAL 10 -7.270 -4.104 -3.081
73 H ALA 11 H ALA 11 -11.370 -2.934 -0.797
74 HA ALA 11 HA ALA 11 -12.548 -0.600 -1.581
75 HB1 ALA 11 1HB ALA 11 -13.768 -2.858 0.129
76 HB2 ALA 11 2HB ALA 11 -14.676 -1.705 -0.867
77 HB3 ALA 11 3HB ALA 11 -13.595 -2.866 -1.631
78 H ALA 12 H ALA 12 -12.212 -1.705 1.793
79 HA ALA 12 HA ALA 12 -13.517 0.632 2.908
80 HB1 ALA 12 1HB ALA 12 -13.542 -1.313 4.239
81 HB2 ALA 12 2HB ALA 12 -11.774 -1.560 4.088
82 HB3 ALA 12 3HB ALA 12 -12.410 -0.205 5.041
83 H LEU 13 H LEU 13 -10.058 -0.321 2.580
84 HA LEU 13 HA LEU 13 -8.914 1.880 3.905
85 HB3 LEU 13 2HB LEU 13 -7.985 -0.036 1.778
86 HG LEU 13 HG LEU 13 -6.840 2.134 1.345
87 HD11 LEU 13 1HD1 LEU 13 -5.664 1.736 4.157
88 HD12 LEU 13 2HD1 LEU 13 -6.793 3.037 3.721
89 HD13 LEU 13 3HD1 LEU 13 -5.186 2.987 2.996
90 HD21 LEU 13 3HD2 LEU 13 -5.770 0.008 0.874
91 HD22 LEU 13 1HD2 LEU 13 -5.030 -0.012 2.492
92 HD23 LEU 13 2HD2 LEU 13 -4.589 1.243 1.313
93 H ILE 14 H ILE 14 -9.829 1.612 0.410
94 HA ILE 14 HA ILE 14 -8.945 4.226 -0.271
95 HB ILE 14 HB ILE 14 -11.026 2.335 -1.404
96 HG13 ILE 14 2HG1 ILE 14 -9.412 2.144 -3.240
97 HG21 ILE 14 1HG2 ILE 14 -11.096 3.858 -3.448
98 HG22 ILE 14 2HG2 ILE 14 -11.975 4.421 -2.023
99 HG23 ILE 14 3HG2 ILE 14 -10.420 5.143 -2.426
100 HD11 ILE 14 3HD1 ILE 14 -7.369 3.715 -1.650
101 HD12 ILE 14 1HD1 ILE 14 -7.329 3.207 -3.330
102 HD13 ILE 14 2HD1 ILE 14 -8.376 4.550 -2.853
103 H ARG 15 H ARG 15 -12.049 3.148 0.966
104 HA ARG 15 HA ARG 15 -13.269 5.773 0.936
105 HB3 ARG 15 2HB ARG 15 -14.786 4.913 2.751
106 HG3 ARG 15 2HG ARG 15 -14.921 2.692 0.818
107 HD3 ARG 15 2HD ARG 15 -16.624 5.110 1.504
108 HE ARG 15 HE ARG 15 -16.969 4.866 -0.789
109 HH11 ARG 15 1HH1 ARG 15 -17.914 1.925 0.963
110 HH12 ARG 15 2HH1 ARG 15 -18.899 1.310 -0.315
111 HH21 ARG 15 1HH2 ARG 15 -18.149 3.994 -2.498
112 HH22 ARG 15 2HH2 ARG 15 -18.948 2.423 -2.364
113 H ARG 16 H ARG 16 -11.456 4.082 3.501
114 HA ARG 16 HA ARG 16 -11.725 6.027 5.518
115 HB3 ARG 16 2HB ARG 16 -9.398 5.089 6.277
116 HG3 ARG 16 2HG ARG 16 -11.813 3.339 5.770
117 HD3 ARG 16 2HD ARG 16 -9.128 2.426 6.887
118 HE ARG 16 HE ARG 16 -11.775 1.820 7.788
119 HH11 ARG 16 1HH1 ARG 16 -8.657 0.122 7.173
120 HH12 ARG 16 2HH1 ARG 16 -9.050 -1.149 8.291
121 HH21 ARG 16 1HH2 ARG 16 -12.093 0.182 9.417
122 HH22 ARG 16 2HH2 ARG 16 -10.945 -1.124 9.497
123 H ALA 17 H ALA 17 -9.401 5.970 2.820
124 HA ALA 17 HA ALA 17 -7.834 8.218 3.759
125 HB1 ALA 17 1HB ALA 17 -8.129 6.753 1.112
126 HB2 ALA 17 2HB ALA 17 -7.005 8.089 1.351
127 HB3 ALA 17 3HB ALA 17 -6.804 6.611 2.328
128 H GLU 18 H GLU 18 -10.244 7.730 1.153
129 HA GLU 18 HA GLU 18 -10.360 10.299 0.060
130 HB3 GLU 18 2HB GLU 18 -12.821 9.561 -0.337
131 HG3 GLU 18 2HG GLU 18 -10.542 7.803 -1.417
132 H LEU 19 H LEU 19 -12.316 8.837 2.675
133 HA LEU 19 HA LEU 19 -13.932 10.903 3.542
134 HB3 LEU 19 2HB LEU 19 -12.516 8.582 4.885
135 HG LEU 19 HG LEU 19 -13.517 10.074 6.669
136 HD11 LEU 19 1HD1 LEU 19 -15.996 9.967 6.881
137 HD12 LEU 19 2HD1 LEU 19 -16.072 9.112 5.326
138 HD13 LEU 19 3HD1 LEU 19 -15.527 10.792 5.372
139 HD21 LEU 19 3HD2 LEU 19 -14.656 7.284 6.165
140 HD22 LEU 19 1HD2 LEU 19 -14.577 8.101 7.755
141 HD23 LEU 19 2HD2 LEU 19 -13.095 7.657 6.907
142 H GLY 20 H GLY 20 -10.584 10.068 4.533
143 HA2 GLY 20 1HA GLY 20 -10.340 12.062 6.594
144 HA3 GLY 20 2HA GLY 20 -9.045 11.131 5.827
145 H GLY 21 H GLY 21 -10.244 12.226 3.133
146 HA2 GLY 21 1HA GLY 21 -10.419 14.225 2.003
147 HA3 GLY 21 2HA GLY 21 -9.630 15.092 3.325
148 H ALA 22 H ALA 22 -8.317 12.148 1.674
149 HA ALA 22 HA ALA 22 -6.308 13.907 0.334
150 HB1 ALA 22 1HB ALA 22 -5.061 12.804 2.178
151 HB2 ALA 22 2HB ALA 22 -5.729 11.229 1.662
152 HB3 ALA 22 3HB ALA 22 -4.604 12.099 0.640
153 H PHE 23 H PHE 23 -5.358 12.612 -1.557
154 HA PHE 23 HA PHE 23 -7.506 11.277 -3.078
155 HB3 PHE 23 2HB PHE 23 -4.854 11.017 -4.234
156 HD1 PHE 23 2HD PHE 23 -7.555 13.674 -4.305
157 HD2 PHE 23 1HD PHE 23 -5.159 10.841 -6.519
158 HE1 PHE 23 2HE PHE 23 -8.660 14.368 -6.419
159 HE2 PHE 23 1HE PHE 23 -6.251 11.555 -8.617
160 HZ PHE 23 HZ PHE 23 -7.993 13.326 -8.584
161 H ALA 24 H ALA 24 -7.652 9.111 -3.275
162 HA ALA 24 HA ALA 24 -5.334 7.444 -2.901
163 HB1 ALA 24 1HB ALA 24 -6.300 7.386 -0.636
164 HB2 ALA 24 2HB ALA 24 -7.901 6.962 -1.308
165 HB3 ALA 24 3HB ALA 24 -6.528 5.838 -1.459
166 H THR 25 H THR 25 -5.644 5.495 -4.187
167 HA THR 25 HA THR 25 -8.227 4.923 -5.183
168 HB THR 25 HB THR 25 -7.486 6.970 -6.560
169 HG1 THR 25 1HG THR 25 -9.232 5.731 -7.022
170 HG21 THR 25 3HG2 THR 25 -5.209 6.119 -7.112
171 HG22 THR 25 1HG2 THR 25 -6.172 6.562 -8.533
172 HG23 THR 25 2HG2 THR 25 -5.966 4.848 -8.101
173 H VAL 26 H VAL 26 -8.044 3.178 -6.850
174 HA VAL 26 HA VAL 26 -5.810 1.348 -6.175
175 HB VAL 26 HB VAL 26 -7.919 0.489 -5.442
176 HG11 VAL 26 1HG1 VAL 26 -9.514 1.644 -6.930
177 HG12 VAL 26 2HG1 VAL 26 -8.975 0.632 -8.286
178 HG13 VAL 26 3HG1 VAL 26 -9.776 -0.095 -6.876
179 HG21 VAL 26 3HG2 VAL 26 -7.930 -1.658 -6.630
180 HG22 VAL 26 1HG2 VAL 26 -6.989 -0.963 -7.953
181 HG23 VAL 26 2HG2 VAL 26 -6.268 -1.106 -6.334
182 H ALA 27 H ALA 27 -4.433 0.992 -7.754
183 HA ALA 27 HA ALA 27 -5.042 1.983 -10.497
184 HB1 ALA 27 1HB ALA 27 -2.406 1.894 -8.984
185 HB2 ALA 27 2HB ALA 27 -2.656 2.508 -10.632
186 HB3 ALA 27 3HB ALA 27 -3.404 3.339 -9.253
187 H ARG 28 H ARG 28 -4.675 -0.941 -8.818
188 HA ARG 28 HA ARG 28 -4.237 -2.283 -11.363
189 HB3 ARG 28 2HB ARG 28 -2.534 -3.264 -9.095
190 HG3 ARG 28 2HG ARG 28 -2.941 -4.248 -11.685
191 HD3 ARG 28 2HD ARG 28 -0.253 -3.949 -12.195
192 HE ARG 28 HE ARG 28 -2.404 -3.566 -13.640
193 HH11 ARG 28 1HH1 ARG 28 0.496 -1.578 -13.430
194 HH12 ARG 28 2HH1 ARG 28 -0.002 -0.467 -14.680
195 HH21 ARG 28 1HH2 ARG 28 -2.853 -2.425 -15.528
196 HH22 ARG 28 2HH2 ARG 28 -1.881 -1.073 -16.005
197 H LYS 29 H LYS 29 -5.256 -4.221 -11.422
198 HA LYS 29 HA LYS 29 -7.062 -4.996 -9.237
199 HB3 LYS 29 2HB LYS 29 -6.571 -6.193 -12.015
200 HG3 LYS 29 2HG LYS 29 -8.285 -7.313 -10.226
201 HD3 LYS 29 2HD LYS 29 -10.579 -6.674 -11.197
202 HE3 LYS 29 2HE LYS 29 -9.259 -4.652 -9.338
203 HZ1 LYS 29 3HZ LYS 29 -11.322 -3.811 -10.063
204 HZ2 LYS 29 1HZ LYS 29 -11.614 -4.448 -8.574
205 HZ3 LYS 29 2HZ LYS 29 -12.097 -5.259 -9.881
206 H GLY 30 H GLY 30 -7.020 -7.226 -8.491
207 HA2 GLY 30 1HA GLY 30 -4.718 -8.950 -9.036
208 HA3 GLY 30 2HA GLY 30 -4.952 -8.388 -7.413
209 H ASP 31 H ASP 31 -5.288 -10.947 -7.296
210 HA ASP 31 HA ASP 31 -7.556 -12.009 -8.609
211 HB3 ASP 31 2HB ASP 31 -6.697 -13.751 -6.420
212 H ALA 32 H ALA 32 -8.345 -9.978 -6.809
213 HA ALA 32 HA ALA 32 -9.658 -9.265 -5.090
214 HB1 ALA 32 1HB ALA 32 -11.483 -11.292 -6.375
215 HB2 ALA 32 2HB ALA 32 -11.980 -9.843 -5.462
216 HB3 ALA 32 3HB ALA 32 -11.126 -9.692 -7.022
217 H ARG 33 H ARG 33 -8.721 -12.405 -4.677
218 HA ARG 33 HA ARG 33 -9.776 -12.711 -1.920
219 HB3 ARG 33 2HB ARG 33 -9.896 -15.160 -2.810
220 HG3 ARG 33 2HG ARG 33 -12.107 -13.447 -3.922
221 HD3 ARG 33 2HD ARG 33 -11.949 -16.109 -2.402
222 HE ARG 33 HE ARG 33 -14.253 -15.537 -4.071
223 HH11 ARG 33 1HH1 ARG 33 -12.947 -15.227 -0.757
224 HH12 ARG 33 2HH1 ARG 33 -14.518 -15.317 -0.004
225 HH21 ARG 33 1HH2 ARG 33 -16.315 -15.625 -3.018
226 HH22 ARG 33 2HH2 ARG 33 -16.410 -15.437 -1.277
227 H ALA 34 H ALA 34 -7.602 -14.243 -4.367
228 HA ALA 34 HA ALA 34 -5.699 -14.675 -2.149
229 HB1 ALA 34 1HB ALA 34 -5.740 -16.066 -4.872
230 HB2 ALA 34 2HB ALA 34 -4.780 -16.516 -3.453
231 HB3 ALA 34 3HB ALA 34 -6.535 -16.735 -3.422
232 H GLY 35 H GLY 35 -5.957 -12.127 -3.217
233 HA2 GLY 35 1HA GLY 35 -3.659 -11.854 -5.086
234 HA3 GLY 35 2HA GLY 35 -4.971 -10.707 -4.787
235 H ALA 36 H ALA 36 -1.861 -10.711 -4.497
236 HA ALA 36 HA ALA 36 -1.467 -9.839 -1.719
237 HB1 ALA 36 1HB ALA 36 0.299 -9.606 -4.208
238 HB2 ALA 36 2HB ALA 36 0.779 -9.153 -2.552
239 HB3 ALA 36 3HB ALA 36 0.415 -10.854 -2.954
240 H VAL 37 H VAL 37 -0.432 -7.581 -1.501
241 HA VAL 37 HA VAL 37 -1.885 -5.494 -3.072
242 HB VAL 37 HB VAL 37 -1.760 -5.926 -0.058
243 HG11 VAL 37 1HG1 VAL 37 -3.259 -4.015 0.160
244 HG12 VAL 37 2HG1 VAL 37 -1.739 -3.509 -0.534
245 HG13 VAL 37 3HG1 VAL 37 -3.153 -3.694 -1.597
246 HG21 VAL 37 3HG2 VAL 37 -3.419 -7.420 -0.991
247 HG22 VAL 37 1HG2 VAL 37 -4.240 -6.108 -0.172
248 HG23 VAL 37 2HG2 VAL 37 -4.134 -6.104 -1.953
249 H LEU 38 H LEU 38 -0.878 -3.399 -3.003
250 HA LEU 38 HA LEU 38 1.696 -3.087 -1.545
251 HB3 LEU 38 2HB LEU 38 2.370 -1.530 -3.416
252 HG LEU 38 HG LEU 38 1.835 -4.390 -4.246
253 HD11 LEU 38 1HD1 LEU 38 3.424 -4.130 -6.014
254 HD12 LEU 38 2HD1 LEU 38 3.775 -2.451 -5.530
255 HD13 LEU 38 3HD1 LEU 38 2.190 -2.895 -6.196
256 HD21 LEU 38 3HD2 LEU 38 4.305 -4.648 -3.777
257 HD22 LEU 38 1HD2 LEU 38 3.293 -4.374 -2.359
258 HD23 LEU 38 2HD2 LEU 38 4.249 -3.031 -3.021
259 H VAL 39 H VAL 39 1.762 -1.262 -0.325
260 HA VAL 39 HA VAL 39 -0.505 0.677 -0.622
261 HB VAL 39 HB VAL 39 0.888 -0.009 1.990
262 HG11 VAL 39 1HG1 VAL 39 -0.894 1.525 2.922
263 HG12 VAL 39 2HG1 VAL 39 0.166 2.370 1.812
264 HG13 VAL 39 3HG1 VAL 39 -1.443 1.858 1.279
265 HG21 VAL 39 3HG2 VAL 39 -2.018 -0.522 1.363
266 HG22 VAL 39 1HG2 VAL 39 -0.783 -1.777 1.122
267 HG23 VAL 39 2HG2 VAL 39 -1.043 -1.112 2.727
268 H LYS 40 H LYS 40 0.537 2.058 -1.967
269 HA LYS 40 HA LYS 40 3.126 3.184 -1.036
270 HB3 LYS 40 2HB LYS 40 1.543 3.275 -3.638
271 HG3 LYS 40 2HG LYS 40 3.754 4.635 -4.284
272 HD3 LYS 40 2HD LYS 40 1.199 5.887 -3.158
273 HE3 LYS 40 2HE LYS 40 3.217 7.028 -5.102
274 HZ1 LYS 40 3HZ LYS 40 1.057 8.260 -3.480
275 HZ2 LYS 40 1HZ LYS 40 1.085 8.034 -5.130
276 HZ3 LYS 40 2HZ LYS 40 2.149 9.054 -4.474
277 H ALA 41 H ALA 41 3.267 5.331 -0.358
278 HA ALA 41 HA ALA 41 0.791 6.905 -0.104
279 HB1 ALA 41 1HB ALA 41 2.861 6.490 2.104
280 HB2 ALA 41 2HB ALA 41 1.506 7.627 2.144
281 HB3 ALA 41 3HB ALA 41 1.178 5.891 2.123
282 H VAL 42 H VAL 42 1.793 9.330 0.682
283 HA VAL 42 HA VAL 42 4.373 9.779 -0.503
284 HB VAL 42 HB VAL 42 2.302 10.060 -2.174
285 HG11 VAL 42 1HG1 VAL 42 2.252 12.788 -0.957
286 HG12 VAL 42 2HG1 VAL 42 1.236 12.131 -2.251
287 HG13 VAL 42 3HG1 VAL 42 1.068 11.556 -0.561
288 HG21 VAL 42 3HG2 VAL 42 3.570 11.883 -3.296
289 HG22 VAL 42 1HG2 VAL 42 4.550 12.055 -1.819
290 HG23 VAL 42 2HG2 VAL 42 4.570 10.524 -2.739
291 H ASP 43 H ASP 43 5.055 12.071 0.216
292 HA ASP 43 HA ASP 43 3.311 13.182 2.313
293 HB3 ASP 43 2HB ASP 43 6.324 13.321 2.339
294 H ARG 44 H ARG 44 2.370 14.402 0.477
295 HA ARG 44 HA ARG 44 4.099 16.011 -1.232
296 HB3 ARG 44 2HB ARG 44 2.041 17.348 -1.756
297 HG3 ARG 44 2HG ARG 44 0.660 15.800 -2.894
298 HD3 ARG 44 2HD ARG 44 3.479 14.674 -3.036
299 HE ARG 44 HE ARG 44 1.134 14.100 -4.612
300 HH11 ARG 44 1HH1 ARG 44 4.472 15.020 -5.217
301 HH12 ARG 44 2HH1 ARG 44 4.729 13.859 -6.499
302 HH21 ARG 44 1HH2 ARG 44 1.431 12.524 -6.315
303 HH22 ARG 44 2HH2 ARG 44 2.919 12.503 -7.207
304 H ARG 45 H ARG 45 3.346 16.381 2.141
305 HA ARG 45 HA ARG 45 3.070 19.297 2.042
306 HB3 ARG 45 2HB ARG 45 3.787 17.919 4.611
307 HG3 ARG 45 2HG ARG 45 1.378 19.570 3.742
308 HD3 ARG 45 2HD ARG 45 1.216 18.317 5.886
309 HE ARG 45 HE ARG 45 3.411 18.385 6.859
310 HH11 ARG 45 1HH1 ARG 45 2.190 21.690 6.701
311 HH12 ARG 45 2HH1 ARG 45 2.856 22.160 8.217
312 HH21 ARG 45 1HH2 ARG 45 4.401 18.976 8.704
313 HH22 ARG 45 2HH2 ARG 45 3.970 20.416 9.579
314 H GLU 46 H GLU 46 5.494 16.920 3.111
315 HA GLU 46 HA GLU 46 7.536 19.027 3.433
316 HB3 GLU 46 2HB GLU 46 8.905 17.206 4.295
317 HG3 GLU 46 2HG GLU 46 6.304 16.376 5.446
318 H GLY 47 H GLY 47 6.458 16.770 0.994
319 HA2 GLY 47 1HA GLY 47 7.127 16.559 -1.216
320 HA3 GLY 47 2HA GLY 47 8.491 17.663 -0.946
321 H THR 48 H THR 48 7.387 14.724 0.823
322 HA THR 48 HA THR 48 9.729 13.275 -0.250
323 HB THR 48 HB THR 48 9.883 11.995 1.865
324 HG1 THR 48 1HG THR 48 9.150 12.770 3.703
325 HG21 THR 48 3HG2 THR 48 11.399 13.949 1.302
326 HG22 THR 48 1HG2 THR 48 11.204 13.677 3.036
327 HG23 THR 48 2HG2 THR 48 10.323 15.000 2.264
328 H ALA 49 H ALA 49 9.208 10.726 0.251
329 HA ALA 49 HA ALA 49 6.380 10.141 0.161
330 HB1 ALA 49 1HB ALA 49 6.845 10.488 -2.247
331 HB2 ALA 49 2HB ALA 49 8.217 9.389 -2.174
332 HB3 ALA 49 3HB ALA 49 6.571 8.767 -1.928
333 H ARG 50 H ARG 50 6.107 7.682 0.271
334 HA ARG 50 HA ARG 50 8.435 6.145 1.147
335 HB3 ARG 50 2HB ARG 50 6.172 5.738 2.978
336 HG3 ARG 50 2HG ARG 50 9.097 6.506 3.270
337 HD3 ARG 50 2HD ARG 50 8.391 6.093 5.818
338 HE ARG 50 HE ARG 50 8.939 8.450 4.376
339 HH11 ARG 50 1HH1 ARG 50 7.249 7.580 7.357
340 HH12 ARG 50 2HH1 ARG 50 7.522 9.108 8.140
341 HH21 ARG 50 1HH2 ARG 50 9.322 10.471 5.413
342 HH22 ARG 50 2HH2 ARG 50 8.882 10.729 7.053
343 H LEU 51 H LEU 51 7.719 3.731 1.369
344 HA LEU 51 HA LEU 51 5.164 3.167 0.052
345 HB3 LEU 51 2HB LEU 51 7.555 1.671 -1.033
346 HG LEU 51 HG LEU 51 4.831 2.558 -1.936
347 HD11 LEU 51 1HD1 LEU 51 6.342 3.597 -3.589
348 HD12 LEU 51 2HD1 LEU 51 5.339 2.325 -4.288
349 HD13 LEU 51 3HD1 LEU 51 7.022 1.992 -3.884
350 HD21 LEU 51 3HD2 LEU 51 4.730 0.361 -3.007
351 HD22 LEU 51 1HD2 LEU 51 5.164 0.176 -1.311
352 HD23 LEU 51 2HD2 LEU 51 6.434 0.056 -2.547
353 H PHE 52 H PHE 52 4.308 1.113 0.622
354 HA PHE 52 HA PHE 52 6.029 -0.577 2.359
355 HB3 PHE 52 2HB PHE 52 4.093 -1.119 3.727
356 HD1 PHE 52 2HD PHE 52 6.212 -0.165 4.953
357 HD2 PHE 52 1HD PHE 52 2.864 2.209 3.657
358 HE1 PHE 52 2HE PHE 52 6.845 1.631 6.552
359 HE2 PHE 52 1HE PHE 52 3.588 4.061 5.109
360 HZ PHE 52 HZ PHE 52 5.575 3.771 6.598
361 H SER 53 H SER 53 5.637 -2.781 2.261
362 HA SER 53 HA SER 53 3.895 -3.794 0.081
363 HB3 SER 53 2HB SER 53 6.661 -4.869 0.518
364 HG SER 53 HG SER 53 5.191 -5.565 -1.237
365 H GLU 54 H GLU 54 3.444 -6.164 0.430
366 HA GLU 54 HA GLU 54 3.199 -6.818 3.228
367 HB3 GLU 54 2HB GLU 54 2.180 -8.892 2.360
368 HG3 GLU 54 2HG GLU 54 1.208 -6.601 0.643
369 H ALA 55 H ALA 55 3.884 -8.925 3.993
370 HA ALA 55 HA ALA 55 5.946 -10.516 2.791
371 HB1 ALA 55 1HB ALA 55 7.473 -8.918 3.640
372 HB2 ALA 55 2HB ALA 55 6.718 -8.847 5.233
373 HB3 ALA 55 3HB ALA 55 7.578 -10.314 4.696
374 H THR 56 H THR 56 6.555 -11.662 5.375
375 HA THR 56 HA THR 56 4.418 -12.090 7.034
376 HB THR 56 HB THR 56 4.636 -14.798 6.702
377 HG1 THR 56 1HG THR 56 5.550 -14.994 4.789
378 HG21 THR 56 3HG2 THR 56 2.470 -13.215 5.313
379 HG22 THR 56 1HG2 THR 56 2.600 -13.401 7.065
380 HG23 THR 56 2HG2 THR 56 2.373 -14.825 6.039
381 H ARG 57 H ARG 57 5.042 -13.553 8.870
382 HA ARG 57 HA ARG 57 7.962 -14.144 8.854
383 HB3 ARG 57 2HB ARG 57 7.157 -12.646 10.683
384 HG3 ARG 57 2HG ARG 57 5.858 -15.131 11.801
385 HD3 ARG 57 2HD ARG 57 5.906 -12.369 13.020
386 HE ARG 57 HE ARG 57 5.698 -15.090 14.229
387 HH11 ARG 57 1HH1 ARG 57 5.139 -11.550 14.640
388 HH12 ARG 57 2HH1 ARG 57 4.030 -11.807 15.929
389 HH21 ARG 57 1HH2 ARG 57 4.327 -15.299 16.107
390 HH22 ARG 57 2HH2 ARG 57 3.349 -13.944 16.514
391 H GLY 58 H GLY 58 8.314 -16.288 10.343
392 HA2 GLY 58 1HA GLY 58 7.274 -18.404 8.704
393 HA3 GLY 58 2HA GLY 58 8.236 -18.566 10.186
394 H ASP 59 H ASP 59 6.249 -16.992 11.775
395 HA ASP 59 HA ASP 59 4.287 -18.959 12.473
396 HB3 ASP 59 2HB ASP 59 3.943 -16.040 12.974
397 H GLY 60 H GLY 60 4.442 -17.253 9.634
398 HA2 GLY 60 1HA GLY 60 3.037 -16.858 7.917
399 HA3 GLY 60 2HA GLY 60 1.772 -17.756 8.755
400 H GLU 61 H GLU 61 3.493 -14.881 10.113
401 HA GLU 61 HA GLU 61 0.827 -13.620 10.304
402 HB3 GLU 61 2HB GLU 61 3.175 -13.032 12.114
403 HG3 GLU 61 2HG GLU 61 0.264 -12.402 11.958
404 H ARG 62 H ARG 62 0.498 -11.871 9.052
405 HA ARG 62 HA ARG 62 2.753 -10.806 7.530
406 HB3 ARG 62 2HB ARG 62 -0.267 -10.492 7.309
407 HG3 ARG 62 2HG ARG 62 2.011 -9.548 5.526
408 HD3 ARG 62 2HD ARG 62 0.108 -9.145 3.877
409 HE ARG 62 HE ARG 62 1.863 -11.300 4.041
410 HH11 ARG 62 1HH1 ARG 62 -0.980 -10.216 2.126
411 HH12 ARG 62 2HH1 ARG 62 -0.745 -11.482 0.965
412 HH21 ARG 62 1HH2 ARG 62 2.265 -12.650 2.205
413 HH22 ARG 62 2HH2 ARG 62 1.217 -12.445 0.835
414 H PHE 63 H PHE 63 2.969 -8.558 7.097
415 HA PHE 63 HA PHE 63 2.152 -6.484 8.924
416 HB3 PHE 63 2HB PHE 63 3.803 -7.551 10.303
417 HD1 PHE 63 1HD PHE 63 4.612 -9.848 9.481
418 HD2 PHE 63 2HD PHE 63 6.415 -6.216 7.978
419 HE1 PHE 63 1HE PHE 63 6.697 -11.037 9.069
420 HE2 PHE 63 2HE PHE 63 8.475 -7.474 7.480
421 HZ PHE 63 HZ PHE 63 8.634 -9.882 8.035
422 H TRP 64 H TRP 64 3.022 -4.401 8.136
423 HA TRP 64 HA TRP 64 3.625 -4.436 5.249
424 HB3 TRP 64 2HB TRP 64 3.365 -1.947 5.587
425 HD1 TRP 64 HD TRP 64 0.482 -2.742 7.776
426 HE1 TRP 64 1HE TRP 64 -1.591 -3.422 6.393
427 HE3 TRP 64 3HE TRP 64 2.737 -3.513 3.266
428 HZ2 TRP 64 2HZ TRP 64 -2.171 -4.221 3.687
429 HZ3 TRP 64 3HZ TRP 64 1.421 -4.221 1.298
430 HH2 TRP 64 HH TRP 64 -1.005 -4.662 1.525
431 H MET 65 H MET 65 5.704 -4.576 4.623
432 HA MET 65 HA MET 65 7.853 -3.541 6.430
433 HB3 MET 65 2HB MET 65 7.878 -5.967 5.960
434 HG3 MET 65 2HG MET 65 7.531 -5.106 3.179
435 HE1 MET 65 3HE MET 65 9.371 -8.174 4.546
436 HE2 MET 65 1HE MET 65 10.966 -8.119 3.764
437 HE3 MET 65 2HE MET 65 10.562 -6.964 5.068
438 H GLN 66 H GLN 66 9.924 -2.947 5.135
439 HA GLN 66 HA GLN 66 9.177 -1.213 2.872
440 HB3 GLN 66 2HB GLN 66 11.012 0.230 3.617
441 HG3 GLN 66 2HG GLN 66 9.182 -0.431 5.960
442 HE21 GLN 66 1HE2 GLN 66 8.299 2.374 5.545
443 HE22 GLN 66 2HE2 GLN 66 9.551 3.320 6.382
444 HA PRO 67 HA PRO 67 12.324 -3.946 0.923
445 HB3 PRO 67 2HB PRO 67 10.643 -5.319 0.114
446 HG3 PRO 67 2HG PRO 67 8.551 -4.437 -0.542
447 HD3 PRO 67 2HD PRO 67 8.810 -3.871 1.719
448 H VAL 68 H VAL 68 11.002 -0.775 0.190
449 HA VAL 68 HA VAL 68 13.394 -0.307 -1.498
450 HB VAL 68 HB VAL 68 11.727 -0.147 -3.043
451 HG11 VAL 68 1HG1 VAL 68 10.033 1.559 -1.193
452 HG12 VAL 68 2HG1 VAL 68 9.712 1.279 -2.904
453 HG13 VAL 68 3HG1 VAL 68 9.686 -0.092 -1.784
454 HG21 VAL 68 3HG2 VAL 68 11.857 2.165 -3.784
455 HG22 VAL 68 1HG2 VAL 68 12.252 2.721 -2.141
456 HG23 VAL 68 2HG2 VAL 68 13.387 1.716 -3.019
457 H ARG 69 H ARG 69 14.686 0.195 0.110
458 HA ARG 69 HA ARG 69 13.792 2.202 2.115
459 HB3 ARG 69 2HB ARG 69 16.339 0.605 2.291
460 HG3 ARG 69 2HG ARG 69 15.532 0.572 4.745
461 HD3 ARG 69 2HD ARG 69 15.861 3.178 5.050
462 HE ARG 69 HE ARG 69 17.538 1.790 5.788
463 HH11 ARG 69 1HH1 ARG 69 17.961 2.196 2.263
464 HH12 ARG 69 2HH1 ARG 69 19.539 1.507 2.263
465 HH21 ARG 69 1HH2 ARG 69 19.734 1.287 5.823
466 HH22 ARG 69 2HH2 ARG 69 20.669 1.243 4.353
467 H SER 70 H SER 70 13.867 3.893 0.640
468 HA SER 70 HA SER 70 16.393 5.239 0.493
469 HB3 SER 70 2HB SER 70 14.732 4.923 -2.059
470 HG SER 70 HG SER 70 17.364 5.464 -2.332
471 H THR 71 H THR 71 15.725 7.478 -0.479
472 HA THR 71 HA THR 71 12.940 8.267 0.179
473 HB THR 71 HB THR 71 14.719 9.165 1.706
474 HG1 THR 71 1HG THR 71 12.764 10.737 0.439
475 HG21 THR 71 3HG2 THR 71 15.271 10.796 -0.772
476 HG22 THR 71 1HG2 THR 71 16.263 9.470 -0.120
477 HG23 THR 71 2HG2 THR 71 16.065 10.986 0.799
478 H PHE 72 H PHE 72 15.170 7.609 -2.349
479 HA PHE 72 HA PHE 72 14.718 9.907 -3.984
480 HB3 PHE 72 2HB PHE 72 15.441 8.078 -5.792
481 HD1 PHE 72 1HD PHE 72 16.513 10.149 -6.492
482 HD2 PHE 72 2HD PHE 72 17.786 8.079 -2.916
483 HE1 PHE 72 1HE PHE 72 18.571 11.525 -6.423
484 HE2 PHE 72 2HE PHE 72 19.861 9.468 -2.880
485 HZ PHE 72 HZ PHE 72 20.244 11.178 -4.616
486 H GLU 73 H GLU 73 12.949 10.482 -4.976
487 HA GLU 73 HA GLU 73 10.533 9.162 -5.113
488 HB3 GLU 73 2HB GLU 73 11.849 11.389 -6.681
489 HG3 GLU 73 2HG GLU 73 9.144 11.828 -6.966
490 HA PRO 74 HA PRO 74 11.334 7.273 -9.367
491 HB3 PRO 74 2HB PRO 74 12.740 8.597 -10.640
492 HG3 PRO 74 2HG PRO 74 14.773 9.501 -9.740
493 HD3 PRO 74 2HD PRO 74 13.024 10.270 -8.362
494 H ASP 75 H ASP 75 13.016 6.599 -6.544
495 HA ASP 75 HA ASP 75 13.547 3.756 -7.256
496 HB3 ASP 75 2HB ASP 75 13.895 4.083 -4.490
497 H LEU 76 H LEU 76 11.716 5.877 -5.090
498 HA LEU 76 HA LEU 76 10.206 3.858 -3.788
499 HB3 LEU 76 2HB LEU 76 8.689 5.858 -3.208
500 HG LEU 76 HG LEU 76 11.689 6.079 -2.685
501 HD11 LEU 76 1HD1 LEU 76 10.675 8.296 -2.491
502 HD12 LEU 76 2HD1 LEU 76 11.051 7.660 -0.876
503 HD13 LEU 76 3HD1 LEU 76 9.384 7.623 -1.470
504 HD21 LEU 76 3HD2 LEU 76 9.360 5.173 -0.917
505 HD22 LEU 76 1HD2 LEU 76 11.071 5.263 -0.439
506 HD23 LEU 76 2HD2 LEU 76 10.551 4.095 -1.661
507 H ASP 77 H ASP 77 9.029 6.223 -6.242
508 HA ASP 77 HA ASP 77 6.421 5.001 -6.417
509 HB3 ASP 77 2HB ASP 77 7.895 6.715 -8.472
510 H ALA 78 H ALA 78 9.403 4.586 -8.300
511 HA ALA 78 HA ALA 78 8.340 2.961 -10.355
512 HB1 ALA 78 1HB ALA 78 11.067 2.889 -9.031
513 HB2 ALA 78 2HB ALA 78 10.634 2.091 -10.556
514 HB3 ALA 78 3HB ALA 78 10.605 3.877 -10.441
515 H TYR 79 H TYR 79 9.242 2.110 -6.975
516 HA TYR 79 HA TYR 79 9.388 -0.690 -7.344
517 HB3 TYR 79 2HB TYR 79 8.343 0.784 -4.915
518 HD1 TYR 79 2HD TYR 79 6.725 -1.084 -4.482
519 HD2 TYR 79 1HD TYR 79 10.986 -1.735 -4.718
520 HE1 TYR 79 2HE TYR 79 6.426 -3.313 -3.500
521 HE2 TYR 79 1HE TYR 79 10.685 -3.992 -3.742
522 HH TYR 79 HH TYR 79 7.463 -5.215 -2.706
523 H ALA 80 H ALA 80 6.562 1.455 -6.870
524 HA ALA 80 HA ALA 80 4.618 -0.606 -6.426
525 HB1 ALA 80 1HB ALA 80 3.994 1.635 -5.846
526 HB2 ALA 80 2HB ALA 80 4.357 2.255 -7.460
527 HB3 ALA 80 3HB ALA 80 2.973 1.158 -7.208
528 H GLU 81 H GLU 81 5.766 1.033 -9.403
529 HA GLU 81 HA GLU 81 3.870 -0.317 -11.134
530 HB3 GLU 81 2HB GLU 81 5.406 0.569 -12.920
531 HG3 GLU 81 2HG GLU 81 4.728 2.740 -10.933
532 H ARG 82 H ARG 82 7.139 -0.822 -10.036
533 HA ARG 82 HA ARG 82 7.718 -2.848 -11.944
534 HB3 ARG 82 2HB ARG 82 8.997 -1.897 -9.327
535 HG3 ARG 82 2HG ARG 82 10.272 -3.889 -11.217
536 HD3 ARG 82 2HD ARG 82 11.292 -2.114 -8.975
537 HE ARG 82 HE ARG 82 12.520 -3.737 -8.074
538 HH11 ARG 82 1HH1 ARG 82 12.194 -4.730 -11.493
539 HH12 ARG 82 2HH1 ARG 82 12.653 -6.375 -11.153
540 HH21 ARG 82 1HH2 ARG 82 13.316 -5.782 -7.723
541 HH22 ARG 82 2HH2 ARG 82 13.269 -6.987 -9.000
542 H ALA 83 H ALA 83 6.932 -3.095 -8.419
543 HA ALA 83 HA ALA 83 7.110 -5.956 -8.362
544 HB1 ALA 83 1HB ALA 83 7.055 -4.771 -6.267
545 HB2 ALA 83 2HB ALA 83 5.559 -3.927 -6.688
546 HB3 ALA 83 3HB ALA 83 5.535 -5.679 -6.353
547 H ALA 84 H ALA 84 4.462 -3.709 -9.107
548 HA ALA 84 HA ALA 84 2.593 -5.857 -9.577
549 HB1 ALA 84 1HB ALA 84 1.997 -3.602 -8.660
550 HB2 ALA 84 2HB ALA 84 2.317 -2.904 -10.268
551 HB3 ALA 84 3HB ALA 84 1.005 -4.087 -10.044
552 H ARG 85 H ARG 85 5.107 -5.291 -11.460
553 HA ARG 85 HA ARG 85 3.516 -5.972 -13.920
554 HB3 ARG 85 2HB ARG 85 4.744 -3.730 -13.884
555 HG3 ARG 85 2HG ARG 85 6.938 -5.642 -14.587
556 HD3 ARG 85 2HD ARG 85 7.275 -3.734 -15.939
557 HE ARG 85 HE ARG 85 5.920 -2.223 -13.937
558 HH11 ARG 85 1HH1 ARG 85 8.688 -1.841 -16.088
559 HH12 ARG 85 2HH1 ARG 85 8.228 -0.291 -16.713
560 HH21 ARG 85 1HH2 ARG 85 5.144 -0.227 -14.922
561 HH22 ARG 85 2HH2 ARG 85 6.180 0.657 -15.989
562 H ILE 86 H ILE 86 5.425 -7.247 -11.527
563 HA ILE 86 HA ILE 86 6.378 -9.419 -13.343
564 HB ILE 86 HB ILE 86 7.443 -8.738 -10.595
565 HG13 ILE 86 2HG1 ILE 86 7.856 -6.874 -12.493
566 HG21 ILE 86 1HG2 ILE 86 8.503 -10.408 -12.932
567 HG22 ILE 86 2HG2 ILE 86 9.407 -10.100 -11.441
568 HG23 ILE 86 3HG2 ILE 86 7.896 -11.019 -11.380
569 HD11 ILE 86 3HD1 ILE 86 9.936 -6.301 -11.481
570 HD12 ILE 86 1HD1 ILE 86 8.836 -6.870 -10.217
571 HD13 ILE 86 2HD1 ILE 86 10.139 -7.934 -10.813
572 H ASP 87 H ASP 87 4.898 -8.666 -10.094
573 HA ASP 87 HA ASP 87 4.296 -11.414 -9.512
574 HB3 ASP 87 2HB ASP 87 2.359 -9.904 -8.210
575 HA PRO 88 HA PRO 88 1.016 -11.928 -12.402
576 HB3 PRO 88 2HB PRO 88 1.171 -14.190 -11.997
577 HG3 PRO 88 2HG PRO 88 1.649 -15.021 -9.823
578 HD3 PRO 88 2HD PRO 88 3.285 -13.396 -10.132
579 H ASP 89 H ASP 89 0.053 -11.548 -8.959
580 HA ASP 89 HA ASP 89 -2.319 -10.021 -9.587
581 HB3 ASP 89 2HB ASP 89 -3.350 -12.017 -9.417
582 H ILE 90 H ILE 90 -0.997 -8.360 -8.901
583 HA ILE 90 HA ILE 90 -1.224 -8.164 -5.958
584 HB ILE 90 HB ILE 90 1.042 -8.559 -6.468
585 HG13 ILE 90 2HG1 ILE 90 0.285 -7.152 -4.532
586 HG21 ILE 90 1HG2 ILE 90 2.462 -6.914 -7.614
587 HG22 ILE 90 2HG2 ILE 90 1.196 -7.487 -8.700
588 HG23 ILE 90 3HG2 ILE 90 1.035 -5.896 -7.919
589 HD11 ILE 90 3HD1 ILE 90 2.620 -8.051 -4.810
590 HD12 ILE 90 1HD1 ILE 90 3.083 -6.485 -5.513
591 HD13 ILE 90 2HD1 ILE 90 2.504 -6.582 -3.834
592 H TRP 91 H TRP 91 -2.363 -6.597 -5.297
593 HA TRP 91 HA TRP 91 -3.694 -4.709 -7.161
594 HB3 TRP 91 2HB TRP 91 -4.768 -3.850 -5.009
595 HD1 TRP 91 HD TRP 91 -4.642 -7.660 -5.295
596 HE1 TRP 91 1HE TRP 91 -6.914 -8.635 -5.685
597 HE3 TRP 91 3HE TRP 91 -7.149 -3.365 -5.419
598 HZ2 TRP 91 2HZ TRP 91 -9.645 -7.550 -6.310
599 HZ3 TRP 91 3HZ TRP 91 -9.649 -3.278 -5.853
600 HH2 TRP 91 HH TRP 91 -10.860 -5.397 -6.284
601 H VAL 92 H VAL 92 -3.277 -2.487 -7.137
602 HA VAL 92 HA VAL 92 -0.933 -1.529 -5.538
603 HB VAL 92 HB VAL 92 -1.870 -0.773 -8.330
604 HG11 VAL 92 1HG1 VAL 92 -0.977 1.222 -7.200
605 HG12 VAL 92 2HG1 VAL 92 0.556 0.368 -6.921
606 HG13 VAL 92 3HG1 VAL 92 -0.005 0.687 -8.584
607 HG21 VAL 92 3HG2 VAL 92 -0.467 -2.916 -8.138
608 HG22 VAL 92 1HG2 VAL 92 0.206 -1.643 -9.166
609 HG23 VAL 92 2HG2 VAL 92 0.844 -1.872 -7.530
610 H VAL 93 H VAL 93 -1.661 -0.153 -3.981
611 HA VAL 93 HA VAL 93 -3.977 1.582 -4.644
612 HB VAL 93 HB VAL 93 -3.285 0.585 -1.863
613 HG11 VAL 93 1HG1 VAL 93 -5.890 1.604 -3.060
614 HG12 VAL 93 2HG1 VAL 93 -5.544 1.316 -1.342
615 HG13 VAL 93 3HG1 VAL 93 -4.749 2.649 -2.195
616 HG21 VAL 93 3HG2 VAL 93 -3.863 -1.450 -3.070
617 HG22 VAL 93 1HG2 VAL 93 -5.291 -0.958 -2.168
618 HG23 VAL 93 2HG2 VAL 93 -5.210 -0.640 -3.913
619 H GLU 94 H GLU 94 -3.495 3.705 -4.613
620 HA GLU 94 HA GLU 94 -0.748 4.474 -3.741
621 HB3 GLU 94 2HB GLU 94 -0.673 5.948 -5.643
622 HG3 GLU 94 2HG GLU 94 -1.612 3.300 -6.777
623 H ILE 95 H ILE 95 -1.306 5.343 -1.741
624 HA ILE 95 HA ILE 95 -3.471 7.306 -1.563
625 HB ILE 95 HB ILE 95 -1.450 6.977 0.659
626 HG13 ILE 95 2HG1 ILE 95 -2.855 5.156 1.678
627 HG21 ILE 95 1HG2 ILE 95 -4.455 7.349 0.657
628 HG22 ILE 95 2HG2 ILE 95 -3.377 7.389 2.059
629 HG23 ILE 95 3HG2 ILE 95 -3.246 8.628 0.817
630 HD11 ILE 95 3HD1 ILE 95 -3.472 4.172 -1.108
631 HD12 ILE 95 1HD1 ILE 95 -4.131 3.654 0.443
632 HD13 ILE 95 2HD1 ILE 95 -4.631 5.210 -0.266
633 H GLU 96 H GLU 96 -3.149 9.541 -1.462
634 HA GLU 96 HA GLU 96 -0.393 10.555 -1.662
635 HB3 GLU 96 2HB GLU 96 -1.279 12.257 -3.346
636 HG3 GLU 96 2HG GLU 96 -1.010 9.322 -4.128
637 H ASP 97 H ASP 97 -0.597 11.043 0.593
638 HA ASP 97 HA ASP 97 -2.734 12.901 1.462
639 HB3 ASP 97 2HB ASP 97 -1.120 12.599 3.564
640 H ARG 98 H ARG 98 -1.919 14.728 2.857
641 HA ARG 98 HA ARG 98 0.466 16.069 1.677
642 HB3 ARG 98 2HB ARG 98 -0.076 17.683 3.690
643 HG3 ARG 98 2HG ARG 98 -1.828 17.413 1.220
644 HD3 ARG 98 2HD ARG 98 -1.639 19.970 1.366
645 HE ARG 98 HE ARG 98 -3.622 18.331 2.303
646 HH11 ARG 98 1HH1 ARG 98 -2.382 21.379 3.558
647 HH12 ARG 98 2HH1 ARG 98 -3.878 22.186 3.666
648 HH21 ARG 98 1HH2 ARG 98 -5.630 19.312 2.322
649 HH22 ARG 98 2HH2 ARG 98 -5.901 20.897 2.953
650 H ASP 99 H ASP 99 -0.456 15.377 5.082
651 HA ASP 99 HA ASP 99 2.457 14.972 5.598
652 HB3 ASP 99 2HB ASP 99 0.131 15.042 7.562
653 H GLY 100 H GLY 100 2.403 13.026 4.278
654 HA2 GLY 100 1HA GLY 100 3.020 10.833 4.269
655 HA3 GLY 100 2HA GLY 100 3.449 11.289 5.903
656 H ARG 101 H ARG 101 -0.030 10.924 5.339
657 HA ARG 101 HA ARG 101 -0.088 8.785 7.299
658 HB3 ARG 101 2HB ARG 101 -2.510 8.576 6.506
659 HG3 ARG 101 2HG ARG 101 -2.860 11.239 7.183
660 HD3 ARG 101 2HD ARG 101 -2.575 8.854 9.050
661 HE ARG 101 HE ARG 101 -4.766 10.648 9.510
662 HH11 ARG 101 1HH1 ARG 101 -1.293 10.495 10.315
663 HH12 ARG 101 2HH1 ARG 101 -1.406 11.717 11.528
664 HH21 ARG 101 1HH2 ARG 101 -4.880 12.336 10.969
665 HH22 ARG 101 2HH2 ARG 101 -3.501 12.857 11.876
666 H HIS 102 H HIS 102 -1.023 6.628 6.928
667 HA HIS 102 HA HIS 102 -1.080 5.703 4.104
668 HB3 HIS 102 2HB HIS 102 0.881 4.682 4.741
669 HD1 HIS 102 1HD HIS 102 -0.767 2.739 7.618
670 HD2 HIS 102 2HD HIS 102 2.283 5.527 6.829
671 HE1 HIS 102 1HE HIS 102 0.558 2.984 9.770
672 H PHE 103 H PHE 103 -2.804 5.997 7.084
673 HA PHE 103 HA PHE 103 -4.853 5.385 7.703
674 HB3 PHE 103 2HB PHE 103 -6.503 5.090 5.680
675 HD1 PHE 103 2HD PHE 103 -4.065 7.875 5.176
676 HD2 PHE 103 1HD PHE 103 -7.718 6.593 7.110
677 HE1 PHE 103 2HE PHE 103 -4.665 10.233 5.669
678 HE2 PHE 103 1HE PHE 103 -8.267 8.935 7.623
679 HZ PHE 103 HZ PHE 103 -6.732 10.769 6.906
680 H LEU 104 H LEU 104 -2.989 3.241 7.669
681 HA LEU 104 HA LEU 104 -4.501 0.819 6.852
682 HB3 LEU 104 2HB LEU 104 -2.324 -0.312 7.485
683 HG LEU 104 HG LEU 104 -1.969 1.914 5.479
684 HD11 LEU 104 1HD1 LEU 104 -0.352 -0.596 5.964
685 HD12 LEU 104 2HD1 LEU 104 0.181 1.046 6.331
686 HD13 LEU 104 3HD1 LEU 104 -0.069 0.539 4.657
687 HD21 LEU 104 3HD2 LEU 104 -3.825 0.339 4.885
688 HD22 LEU 104 1HD2 LEU 104 -2.660 -1.007 4.968
689 HD23 LEU 104 2HD2 LEU 104 -2.496 0.284 3.764
690 H THR 105 H THR 105 -4.095 -1.090 8.491
691 HA THR 105 HA THR 105 -4.988 -0.333 11.227
692 HB THR 105 HB THR 105 -6.951 -0.765 10.012
693 HG1 THR 105 1HG THR 105 -6.597 -3.344 11.050
694 HG21 THR 105 3HG2 THR 105 -5.741 -3.286 8.849
695 HG22 THR 105 1HG2 THR 105 -6.258 -1.818 7.981
696 HG23 THR 105 2HG2 THR 105 -7.454 -2.846 8.763
697 H GLU 106 H GLU 106 -2.526 -1.804 9.592
698 HA GLU 106 HA GLU 106 -2.254 -4.161 11.398
699 HB3 GLU 106 2HB GLU 106 -0.899 -4.979 9.333
700 HG3 GLU 106 2HG GLU 106 -3.906 -4.575 9.403
701 HA PRO 107 HA PRO 107 1.662 -2.537 12.734
702 HB3 PRO 107 2HB PRO 107 2.154 -4.462 13.874
703 HG3 PRO 107 2HG PRO 107 1.630 -6.601 12.974
704 HD3 PRO 107 2HD PRO 107 -0.374 -5.328 12.886
705 H VAL 108 H VAL 108 3.728 -1.770 12.011
706 HA VAL 108 HA VAL 108 4.357 -2.105 9.142
707 HB VAL 108 HB VAL 108 4.262 0.581 10.583
708 HG11 VAL 108 1HG1 VAL 108 5.944 0.466 8.766
709 HG12 VAL 108 2HG1 VAL 108 4.713 -0.134 7.652
710 HG13 VAL 108 3HG1 VAL 108 4.598 1.514 8.321
711 HG21 VAL 108 3HG2 VAL 108 2.389 -0.488 8.456
712 HG22 VAL 108 1HG2 VAL 108 1.981 -0.205 10.160
713 HG23 VAL 108 2HG2 VAL 108 2.393 1.159 9.112
714 H GLU 109 H GLU 109 6.302 -2.869 9.064
715 HA GLU 109 HA GLU 109 8.321 -2.743 11.138
716 HB3 GLU 109 2HB GLU 109 9.419 -3.511 8.582
717 HG3 GLU 109 2HG GLU 109 9.072 -5.854 9.498
718 H SER 110 H SER 110 10.539 -2.184 10.219
719 HA SER 110 HA SER 110 10.583 0.545 8.997
720 HB3 SER 110 2HB SER 110 10.351 1.038 11.319
721 HG SER 110 HG SER 110 12.344 -0.957 11.714
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -10.773 -16.844 15.652
2 HA2 GLY 1 1HA GLY 1 -9.439 -15.921 13.724
3 HA3 GLY 1 2HA GLY 1 -10.074 -17.564 13.497
4 H MET 2 H MET 2 -10.362 -14.194 12.476
5 HA MET 2 HA MET 2 -12.488 -14.917 10.508
6 HB3 MET 2 2HB MET 2 -12.417 -12.482 9.968
7 HG3 MET 2 2HG MET 2 -13.931 -13.572 11.755
8 HE1 MET 2 3HE MET 2 -13.635 -10.254 13.472
9 HE2 MET 2 1HE MET 2 -12.460 -10.467 14.785
10 HE3 MET 2 2HE MET 2 -11.911 -10.431 13.097
11 H LEU 3 H LEU 3 -12.062 -14.150 8.241
12 HA LEU 3 HA LEU 3 -9.239 -13.855 7.531
13 HB3 LEU 3 2HB LEU 3 -11.054 -15.701 5.949
14 HG LEU 3 HG LEU 3 -8.950 -16.799 5.350
15 HD11 LEU 3 1HD1 LEU 3 -8.073 -15.241 3.767
16 HD12 LEU 3 2HD1 LEU 3 -8.677 -13.857 4.683
17 HD13 LEU 3 3HD1 LEU 3 -9.820 -14.962 3.890
18 HD21 LEU 3 3HD2 LEU 3 -6.781 -16.021 5.955
19 HD22 LEU 3 1HD2 LEU 3 -7.715 -16.052 7.467
20 HD23 LEU 3 2HD2 LEU 3 -7.411 -14.516 6.646
21 H LEU 4 H LEU 4 -9.427 -11.803 7.036
22 HA LEU 4 HA LEU 4 -11.549 -10.685 5.294
23 HB3 LEU 4 2HB LEU 4 -9.824 -8.760 5.406
24 HG LEU 4 HG LEU 4 -10.314 -8.021 7.751
25 HD11 LEU 4 1HD1 LEU 4 -12.719 -8.675 6.029
26 HD12 LEU 4 2HD1 LEU 4 -11.580 -7.337 5.768
27 HD13 LEU 4 3HD1 LEU 4 -12.561 -7.358 7.226
28 HD21 LEU 4 3HD2 LEU 4 -12.227 -10.380 7.849
29 HD22 LEU 4 1HD2 LEU 4 -12.054 -9.073 9.051
30 HD23 LEU 4 2HD2 LEU 4 -10.741 -10.228 8.803
31 H SER 5 H SER 5 -11.166 -10.469 3.066
32 HA SER 5 HA SER 5 -8.826 -11.758 1.904
33 HB3 SER 5 2HB SER 5 -10.024 -11.582 -0.077
34 HG SER 5 HG SER 5 -12.357 -11.474 0.506
35 H THR 6 H THR 6 -7.461 -10.514 0.215
36 HA THR 6 HA THR 6 -6.513 -8.059 1.230
37 HB THR 6 HB THR 6 -6.130 -9.419 -1.441
38 HG1 THR 6 1HG THR 6 -4.026 -9.657 -0.514
39 HG21 THR 6 3HG2 THR 6 -4.401 -7.821 -1.959
40 HG22 THR 6 1HG2 THR 6 -4.517 -7.075 -0.349
41 HG23 THR 6 2HG2 THR 6 -5.802 -6.837 -1.556
42 H ASP 7 H ASP 7 -8.928 -8.752 -1.304
43 HA ASP 7 HA ASP 7 -9.336 -6.225 -2.222
44 HB3 ASP 7 2HB ASP 7 -10.353 -8.525 -2.909
45 H ILE 8 H ILE 8 -10.729 -7.688 0.650
46 HA ILE 8 HA ILE 8 -12.837 -5.841 1.058
47 HB ILE 8 HB ILE 8 -11.467 -7.615 3.103
48 HG13 ILE 8 2HG1 ILE 8 -13.261 -9.163 2.730
49 HG21 ILE 8 1HG2 ILE 8 -12.757 -6.014 4.300
50 HG22 ILE 8 2HG2 ILE 8 -14.029 -5.951 3.063
51 HG23 ILE 8 3HG2 ILE 8 -13.870 -7.367 4.145
52 HD11 ILE 8 3HD1 ILE 8 -15.095 -7.827 1.857
53 HD12 ILE 8 1HD1 ILE 8 -14.152 -7.443 0.389
54 HD13 ILE 8 2HD1 ILE 8 -14.643 -9.100 0.717
55 H TRP 9 H TRP 9 -9.497 -6.012 2.419
56 HA TRP 9 HA TRP 9 -9.776 -3.769 4.147
57 HB3 TRP 9 2HB TRP 9 -7.361 -3.631 4.096
58 HD1 TRP 9 HD TRP 9 -9.219 -5.300 5.998
59 HE1 TRP 9 1HE TRP 9 -8.397 -7.496 7.015
60 HE3 TRP 9 3HE TRP 9 -5.709 -6.458 2.559
61 HZ2 TRP 9 2HZ TRP 9 -6.645 -9.691 6.216
62 HZ3 TRP 9 3HZ TRP 9 -4.432 -8.633 2.681
63 HH2 TRP 9 HH TRP 9 -4.952 -10.251 4.494
64 H VAL 10 H VAL 10 -8.532 -3.940 0.747
65 HA VAL 10 HA VAL 10 -8.008 -1.188 0.474
66 HB VAL 10 HB VAL 10 -9.021 -3.082 -1.697
67 HG11 VAL 10 1HG1 VAL 10 -9.050 -0.678 -2.396
68 HG12 VAL 10 2HG1 VAL 10 -7.379 -0.487 -1.849
69 HG13 VAL 10 3HG1 VAL 10 -7.769 -1.558 -3.211
70 HG21 VAL 10 3HG2 VAL 10 -6.199 -2.461 -0.785
71 HG22 VAL 10 1HG2 VAL 10 -7.064 -4.016 -0.674
72 HG23 VAL 10 2HG2 VAL 10 -6.679 -3.353 -2.257
73 H ALA 11 H ALA 11 -11.078 -2.975 -0.087
74 HA ALA 11 HA ALA 11 -12.387 -0.850 -1.279
75 HB1 ALA 11 1HB ALA 11 -13.549 -3.125 0.474
76 HB2 ALA 11 2HB ALA 11 -14.494 -2.127 -0.665
77 HB3 ALA 11 3HB ALA 11 -13.236 -3.217 -1.276
78 H ALA 12 H ALA 12 -12.306 -1.628 2.203
79 HA ALA 12 HA ALA 12 -13.968 0.717 2.823
80 HB1 ALA 12 1HB ALA 12 -12.393 -1.112 4.661
81 HB2 ALA 12 2HB ALA 12 -13.487 0.186 5.167
82 HB3 ALA 12 3HB ALA 12 -14.139 -1.198 4.288
83 H LEU 13 H LEU 13 -10.449 -0.156 3.148
84 HA LEU 13 HA LEU 13 -9.423 2.108 4.295
85 HB3 LEU 13 2HB LEU 13 -8.384 0.359 2.065
86 HG LEU 13 HG LEU 13 -7.215 2.576 1.884
87 HD11 LEU 13 1HD1 LEU 13 -6.305 1.887 4.720
88 HD12 LEU 13 2HD1 LEU 13 -7.288 3.290 4.251
89 HD13 LEU 13 3HD1 LEU 13 -5.614 3.173 3.701
90 HD21 LEU 13 3HD2 LEU 13 -6.149 0.514 1.196
91 HD22 LEU 13 1HD2 LEU 13 -5.637 0.171 2.858
92 HD23 LEU 13 2HD2 LEU 13 -4.950 1.562 1.974
93 H ILE 14 H ILE 14 -10.120 1.778 0.765
94 HA ILE 14 HA ILE 14 -9.394 4.406 0.027
95 HB ILE 14 HB ILE 14 -11.387 2.339 -1.074
96 HG13 ILE 14 2HG1 ILE 14 -9.734 2.226 -2.917
97 HG21 ILE 14 1HG2 ILE 14 -12.386 4.416 -1.812
98 HG22 ILE 14 2HG2 ILE 14 -10.818 5.134 -2.201
99 HG23 ILE 14 3HG2 ILE 14 -11.447 3.799 -3.175
100 HD11 ILE 14 3HD1 ILE 14 -8.638 4.529 -2.491
101 HD12 ILE 14 1HD1 ILE 14 -7.788 3.731 -1.148
102 HD13 ILE 14 2HD1 ILE 14 -7.580 3.124 -2.789
103 H ARG 15 H ARG 15 -12.447 3.234 1.283
104 HA ARG 15 HA ARG 15 -13.812 5.791 1.160
105 HB3 ARG 15 2HB ARG 15 -15.372 4.839 2.864
106 HG3 ARG 15 2HG ARG 15 -14.757 3.164 0.396
107 HD3 ARG 15 2HD ARG 15 -16.955 2.976 2.471
108 HE ARG 15 HE ARG 15 -17.459 3.031 -0.266
109 HH11 ARG 15 1HH1 ARG 15 -17.901 0.514 2.225
110 HH12 ARG 15 2HH1 ARG 15 -19.511 0.144 1.663
111 HH21 ARG 15 1HH2 ARG 15 -19.490 2.304 -1.074
112 HH22 ARG 15 2HH2 ARG 15 -20.313 1.039 -0.188
113 H ARG 16 H ARG 16 -11.954 4.204 4.036
114 HA ARG 16 HA ARG 16 -12.377 6.352 5.737
115 HB3 ARG 16 2HB ARG 16 -10.172 5.457 6.685
116 HG3 ARG 16 2HG ARG 16 -12.114 4.397 7.561
117 HD3 ARG 16 2HD ARG 16 -11.886 2.163 5.557
118 HE ARG 16 HE ARG 16 -14.371 2.395 6.936
119 HH11 ARG 16 1HH1 ARG 16 -11.025 1.097 7.383
120 HH12 ARG 16 2HH1 ARG 16 -11.541 0.117 8.713
121 HH21 ARG 16 1HH2 ARG 16 -14.969 0.880 8.384
122 HH22 ARG 16 2HH2 ARG 16 -13.837 -0.224 9.121
123 H ALA 17 H ALA 17 -9.949 5.968 3.134
124 HA ALA 17 HA ALA 17 -8.251 8.126 4.013
125 HB1 ALA 17 1HB ALA 17 -7.508 6.162 2.664
126 HB2 ALA 17 2HB ALA 17 -8.571 6.713 1.336
127 HB3 ALA 17 3HB ALA 17 -7.176 7.706 1.850
128 H GLU 18 H GLU 18 -10.710 7.760 1.375
129 HA GLU 18 HA GLU 18 -10.535 10.474 0.480
130 HB3 GLU 18 2HB GLU 18 -12.908 9.877 -0.385
131 HG3 GLU 18 2HG GLU 18 -10.787 7.880 -1.293
132 H LEU 19 H LEU 19 -12.626 8.864 2.969
133 HA LEU 19 HA LEU 19 -14.000 11.162 3.960
134 HB3 LEU 19 2HB LEU 19 -13.025 8.601 5.274
135 HG LEU 19 HG LEU 19 -14.160 10.065 6.975
136 HD11 LEU 19 1HD1 LEU 19 -15.736 11.275 5.521
137 HD12 LEU 19 2HD1 LEU 19 -16.633 10.348 6.724
138 HD13 LEU 19 3HD1 LEU 19 -16.510 9.741 5.049
139 HD21 LEU 19 3HD2 LEU 19 -14.160 7.629 7.088
140 HD22 LEU 19 1HD2 LEU 19 -15.547 7.539 5.995
141 HD23 LEU 19 2HD2 LEU 19 -15.737 8.235 7.630
142 H GLY 20 H GLY 20 -10.731 10.280 4.030
143 HA2 GLY 20 1HA GLY 20 -9.958 11.289 6.623
144 HA3 GLY 20 2HA GLY 20 -8.923 10.737 5.305
145 H GLY 21 H GLY 21 -10.777 12.818 3.682
146 HA2 GLY 21 1HA GLY 21 -10.521 15.005 2.971
147 HA3 GLY 21 2HA GLY 21 -9.470 15.344 4.359
148 H ALA 22 H ALA 22 -8.829 12.518 2.312
149 HA ALA 22 HA ALA 22 -6.457 13.864 1.129
150 HB1 ALA 22 1HB ALA 22 -6.673 10.970 2.048
151 HB2 ALA 22 2HB ALA 22 -5.224 11.841 1.507
152 HB3 ALA 22 3HB ALA 22 -5.978 12.279 3.036
153 H PHE 23 H PHE 23 -5.716 11.948 -0.703
154 HA PHE 23 HA PHE 23 -8.152 11.482 -2.367
155 HB3 PHE 23 2HB PHE 23 -5.520 12.230 -3.636
156 HD1 PHE 23 1HD PHE 23 -9.264 12.948 -3.822
157 HD2 PHE 23 2HD PHE 23 -5.680 11.714 -5.856
158 HE1 PHE 23 1HE PHE 23 -10.504 12.853 -5.938
159 HE2 PHE 23 2HE PHE 23 -6.926 11.728 -8.037
160 HZ PHE 23 HZ PHE 23 -9.332 12.318 -8.073
161 H ALA 24 H ALA 24 -8.363 9.307 -2.514
162 HA ALA 24 HA ALA 24 -5.904 7.628 -2.564
163 HB1 ALA 24 1HB ALA 24 -8.444 7.226 -0.952
164 HB2 ALA 24 2HB ALA 24 -7.108 6.065 -1.086
165 HB3 ALA 24 3HB ALA 24 -6.824 7.632 -0.328
166 H THR 25 H THR 25 -6.142 5.688 -3.696
167 HA THR 25 HA THR 25 -8.610 4.798 -4.712
168 HB THR 25 HB THR 25 -8.311 6.725 -6.271
169 HG1 THR 25 1HG THR 25 -9.148 5.532 -7.881
170 HG21 THR 25 3HG2 THR 25 -6.767 6.518 -8.120
171 HG22 THR 25 1HG2 THR 25 -6.115 4.995 -7.467
172 HG23 THR 25 2HG2 THR 25 -5.874 6.534 -6.587
173 H VAL 26 H VAL 26 -8.221 2.984 -6.419
174 HA VAL 26 HA VAL 26 -5.775 1.472 -5.720
175 HB VAL 26 HB VAL 26 -7.706 0.622 -4.571
176 HG11 VAL 26 1HG1 VAL 26 -9.028 -0.007 -7.239
177 HG12 VAL 26 2HG1 VAL 26 -9.573 -0.507 -5.635
178 HG13 VAL 26 3HG1 VAL 26 -9.586 1.207 -6.061
179 HG21 VAL 26 3HG2 VAL 26 -6.698 -1.118 -6.840
180 HG22 VAL 26 1HG2 VAL 26 -5.913 -0.884 -5.265
181 HG23 VAL 26 2HG2 VAL 26 -7.482 -1.718 -5.379
182 H ALA 27 H ALA 27 -4.484 1.442 -7.403
183 HA ALA 27 HA ALA 27 -5.467 2.318 -10.008
184 HB1 ALA 27 1HB ALA 27 -3.404 3.185 -8.877
185 HB2 ALA 27 2HB ALA 27 -2.671 1.586 -9.048
186 HB3 ALA 27 3HB ALA 27 -3.091 2.506 -10.491
187 H ARG 28 H ARG 28 -4.821 -0.734 -8.559
188 HA ARG 28 HA ARG 28 -4.596 -2.163 -11.180
189 HB3 ARG 28 2HB ARG 28 -2.859 -2.830 -8.813
190 HG3 ARG 28 2HG ARG 28 -3.092 -4.209 -11.204
191 HD3 ARG 28 2HD ARG 28 -0.790 -3.718 -12.241
192 HE ARG 28 HE ARG 28 -2.658 -3.084 -13.554
193 HH11 ARG 28 1HH1 ARG 28 -0.851 -0.379 -12.133
194 HH12 ARG 28 2HH1 ARG 28 -1.800 0.819 -12.956
195 HH21 ARG 28 1HH2 ARG 28 -3.764 -1.471 -14.697
196 HH22 ARG 28 2HH2 ARG 28 -3.509 0.229 -14.348
197 H LYS 29 H LYS 29 -5.298 -4.528 -10.946
198 HA LYS 29 HA LYS 29 -6.715 -5.089 -8.400
199 HB3 LYS 29 2HB LYS 29 -8.086 -5.251 -11.109
200 HG3 LYS 29 2HG LYS 29 -8.907 -5.890 -8.240
201 HD3 LYS 29 2HD LYS 29 -11.215 -6.281 -9.192
202 HE3 LYS 29 2HE LYS 29 -11.983 -3.908 -9.206
203 HZ1 LYS 29 3HZ LYS 29 -11.387 -4.993 -7.004
204 HZ2 LYS 29 1HZ LYS 29 -11.348 -3.348 -7.035
205 HZ3 LYS 29 2HZ LYS 29 -9.946 -4.142 -7.132
206 H GLY 30 H GLY 30 -5.194 -6.578 -7.903
207 HA2 GLY 30 1HA GLY 30 -4.731 -8.897 -9.620
208 HA3 GLY 30 2HA GLY 30 -4.058 -8.503 -8.024
209 H ASP 31 H ASP 31 -4.505 -10.701 -7.354
210 HA ASP 31 HA ASP 31 -7.123 -11.774 -7.494
211 HB3 ASP 31 2HB ASP 31 -5.097 -12.768 -5.514
212 H ALA 32 H ALA 32 -8.896 -11.467 -6.166
213 HA ALA 32 HA ALA 32 -8.960 -9.505 -4.137
214 HB1 ALA 32 1HB ALA 32 -11.224 -10.385 -3.688
215 HB2 ALA 32 2HB ALA 32 -10.933 -10.003 -5.386
216 HB3 ALA 32 3HB ALA 32 -10.918 -11.706 -4.829
217 H ARG 33 H ARG 33 -8.323 -13.009 -3.956
218 HA ARG 33 HA ARG 33 -8.988 -13.083 -1.094
219 HB3 ARG 33 2HB ARG 33 -8.006 -15.411 -1.260
220 HG3 ARG 33 2HG ARG 33 -10.479 -14.677 -1.579
221 HD3 ARG 33 2HD ARG 33 -9.932 -14.263 -4.201
222 HE ARG 33 HE ARG 33 -9.508 -16.368 -5.096
223 HH11 ARG 33 1HH1 ARG 33 -12.607 -16.422 -3.266
224 HH12 ARG 33 2HH1 ARG 33 -13.037 -17.985 -3.923
225 HH21 ARG 33 1HH2 ARG 33 -10.210 -18.284 -5.956
226 HH22 ARG 33 2HH2 ARG 33 -11.751 -19.012 -5.591
227 H ALA 34 H ALA 34 -6.002 -13.567 -3.016
228 HA ALA 34 HA ALA 34 -4.350 -12.663 -0.737
229 HB1 ALA 34 1HB ALA 34 -3.089 -14.783 -0.868
230 HB2 ALA 34 2HB ALA 34 -4.781 -15.083 -0.414
231 HB3 ALA 34 3HB ALA 34 -4.232 -15.396 -2.078
232 H GLY 35 H GLY 35 -4.902 -11.370 -3.275
233 HA2 GLY 35 1HA GLY 35 -2.519 -11.617 -4.939
234 HA3 GLY 35 2HA GLY 35 -3.696 -10.294 -4.884
235 H ALA 36 H ALA 36 -0.612 -10.481 -4.558
236 HA ALA 36 HA ALA 36 -0.104 -9.348 -1.912
237 HB1 ALA 36 1HB ALA 36 1.648 -10.619 -3.137
238 HB2 ALA 36 2HB ALA 36 1.572 -9.443 -4.469
239 HB3 ALA 36 3HB ALA 36 2.152 -8.940 -2.864
240 H VAL 37 H VAL 37 0.637 -6.997 -1.752
241 HA VAL 37 HA VAL 37 -0.527 -5.199 -3.755
242 HB VAL 37 HB VAL 37 -2.126 -5.102 -2.150
243 HG11 VAL 37 1HG1 VAL 37 -0.718 -6.500 -0.131
244 HG12 VAL 37 2HG1 VAL 37 -2.444 -5.965 -0.181
245 HG13 VAL 37 3HG1 VAL 37 -1.882 -7.052 -1.398
246 HG21 VAL 37 3HG2 VAL 37 -0.339 -3.343 -0.719
247 HG22 VAL 37 1HG2 VAL 37 -1.295 -2.965 -2.165
248 HG23 VAL 37 2HG2 VAL 37 -2.128 -3.378 -0.700
249 H LEU 38 H LEU 38 0.452 -3.224 -3.977
250 HA LEU 38 HA LEU 38 2.650 -2.503 -2.116
251 HB3 LEU 38 2HB LEU 38 3.286 -0.854 -3.903
252 HG LEU 38 HG LEU 38 3.333 -3.725 -4.943
253 HD11 LEU 38 1HD1 LEU 38 5.185 -1.366 -5.482
254 HD12 LEU 38 2HD1 LEU 38 3.927 -1.968 -6.583
255 HD13 LEU 38 3HD1 LEU 38 5.300 -3.007 -6.184
256 HD21 LEU 38 3HD2 LEU 38 4.286 -3.688 -2.693
257 HD22 LEU 38 1HD2 LEU 38 5.341 -2.335 -3.125
258 HD23 LEU 38 2HD2 LEU 38 5.535 -3.928 -3.888
259 H VAL 39 H VAL 39 2.238 -0.835 -0.881
260 HA VAL 39 HA VAL 39 -0.024 0.976 -1.595
261 HB VAL 39 HB VAL 39 0.842 0.419 1.231
262 HG11 VAL 39 1HG1 VAL 39 -1.220 1.587 1.840
263 HG12 VAL 39 2HG1 VAL 39 -0.211 2.604 0.815
264 HG13 VAL 39 3HG1 VAL 39 -1.623 1.779 0.114
265 HG21 VAL 39 3HG2 VAL 39 -1.373 -0.781 1.505
266 HG22 VAL 39 1HG2 VAL 39 -1.447 -0.873 -0.271
267 HG23 VAL 39 2HG2 VAL 39 -0.113 -1.641 0.619
268 H LYS 40 H LYS 40 1.081 2.698 -2.460
269 HA LYS 40 HA LYS 40 3.689 3.403 -1.165
270 HB3 LYS 40 2HB LYS 40 2.559 3.856 -3.958
271 HG3 LYS 40 2HG LYS 40 5.334 4.658 -3.672
272 HD3 LYS 40 2HD LYS 40 2.866 6.267 -4.464
273 HE3 LYS 40 2HE LYS 40 5.148 7.314 -3.864
274 HZ1 LYS 40 3HZ LYS 40 5.733 6.579 -6.658
275 HZ2 LYS 40 1HZ LYS 40 6.462 5.842 -5.358
276 HZ3 LYS 40 2HZ LYS 40 6.662 7.464 -5.653
277 H ALA 41 H ALA 41 2.852 4.598 0.557
278 HA ALA 41 HA ALA 41 0.786 6.666 0.201
279 HB1 ALA 41 1HB ALA 41 1.364 7.283 2.522
280 HB2 ALA 41 2HB ALA 41 1.034 5.541 2.404
281 HB3 ALA 41 3HB ALA 41 2.713 6.139 2.515
282 H VAL 42 H VAL 42 1.233 8.943 0.085
283 HA VAL 42 HA VAL 42 4.063 9.705 -0.300
284 HB VAL 42 HB VAL 42 1.739 10.635 -2.017
285 HG11 VAL 42 1HG1 VAL 42 3.540 11.650 -3.361
286 HG12 VAL 42 2HG1 VAL 42 3.608 12.272 -1.702
287 HG13 VAL 42 3HG1 VAL 42 4.762 11.042 -2.224
288 HG21 VAL 42 3HG2 VAL 42 2.889 9.374 -3.842
289 HG22 VAL 42 1HG2 VAL 42 4.009 8.692 -2.638
290 HG23 VAL 42 2HG2 VAL 42 2.282 8.296 -2.583
291 H ASP 43 H ASP 43 4.661 11.209 1.018
292 HA ASP 43 HA ASP 43 2.831 12.777 2.673
293 HB3 ASP 43 2HB ASP 43 4.933 13.617 3.649
294 H ARG 44 H ARG 44 2.050 13.749 0.441
295 HA ARG 44 HA ARG 44 3.826 15.527 -0.961
296 HB3 ARG 44 2HB ARG 44 1.555 16.785 -1.481
297 HG3 ARG 44 2HG ARG 44 0.853 14.776 -2.971
298 HD3 ARG 44 2HD ARG 44 3.071 14.931 -4.316
299 HE ARG 44 HE ARG 44 0.988 16.530 -4.422
300 HH11 ARG 44 1HH1 ARG 44 4.463 17.407 -4.436
301 HH12 ARG 44 2HH1 ARG 44 4.227 18.936 -5.161
302 HH21 ARG 44 1HH2 ARG 44 0.830 18.174 -5.975
303 HH22 ARG 44 2HH2 ARG 44 2.081 19.315 -6.205
304 H ARG 45 H ARG 45 2.923 15.754 2.245
305 HA ARG 45 HA ARG 45 2.848 18.567 2.720
306 HB3 ARG 45 2HB ARG 45 2.343 16.418 4.176
307 HG3 ARG 45 2HG ARG 45 4.960 17.316 5.324
308 HD3 ARG 45 2HD ARG 45 3.088 15.110 6.258
309 HE ARG 45 HE ARG 45 4.856 14.690 7.623
310 HH11 ARG 45 1HH1 ARG 45 4.786 18.285 7.240
311 HH12 ARG 45 2HH1 ARG 45 5.904 18.509 8.519
312 HH21 ARG 45 1HH2 ARG 45 6.322 15.131 9.346
313 HH22 ARG 45 2HH2 ARG 45 6.718 16.787 9.740
314 H GLU 46 H GLU 46 5.475 16.289 2.326
315 HA GLU 46 HA GLU 46 7.368 18.624 2.091
316 HB3 GLU 46 2HB GLU 46 9.191 17.343 2.969
317 HG3 GLU 46 2HG GLU 46 7.055 16.743 4.989
318 H GLY 47 H GLY 47 5.834 16.231 0.410
319 HA2 GLY 47 1HA GLY 47 6.043 15.686 -1.817
320 HA3 GLY 47 2HA GLY 47 7.661 16.382 -1.882
321 H THR 48 H THR 48 7.781 14.534 0.898
322 HA THR 48 HA THR 48 9.324 12.485 -0.292
323 HB THR 48 HB THR 48 8.822 11.572 2.216
324 HG1 THR 48 1HG THR 48 8.141 13.083 3.538
325 HG21 THR 48 3HG2 THR 48 10.527 14.037 1.671
326 HG22 THR 48 1HG2 THR 48 11.032 12.362 1.322
327 HG23 THR 48 2HG2 THR 48 10.733 12.864 2.994
328 H ALA 49 H ALA 49 8.890 10.195 -0.122
329 HA ALA 49 HA ALA 49 6.044 9.399 -0.136
330 HB1 ALA 49 1HB ALA 49 8.110 8.732 -2.291
331 HB2 ALA 49 2HB ALA 49 6.523 7.944 -2.123
332 HB3 ALA 49 3HB ALA 49 6.637 9.674 -2.501
333 H ARG 50 H ARG 50 5.839 7.040 0.043
334 HA ARG 50 HA ARG 50 8.047 5.741 1.557
335 HB3 ARG 50 2HB ARG 50 6.431 4.663 2.978
336 HG3 ARG 50 2HG ARG 50 4.979 6.342 3.985
337 HD3 ARG 50 2HD ARG 50 7.800 7.323 3.469
338 HE ARG 50 HE ARG 50 6.046 9.067 4.316
339 HH11 ARG 50 1HH1 ARG 50 8.169 7.181 6.385
340 HH12 ARG 50 2HH1 ARG 50 7.940 8.171 7.799
341 HH21 ARG 50 1HH2 ARG 50 5.795 10.434 6.126
342 HH22 ARG 50 2HH2 ARG 50 6.459 10.023 7.669
343 H LEU 51 H LEU 51 7.490 3.279 1.492
344 HA LEU 51 HA LEU 51 5.687 2.472 -0.630
345 HB3 LEU 51 2HB LEU 51 7.960 0.662 -0.810
346 HG LEU 51 HG LEU 51 6.584 2.558 -2.754
347 HD11 LEU 51 1HD1 LEU 51 9.072 2.022 -3.187
348 HD12 LEU 51 2HD1 LEU 51 7.903 1.765 -4.488
349 HD13 LEU 51 3HD1 LEU 51 8.528 0.383 -3.538
350 HD21 LEU 51 3HD2 LEU 51 5.772 0.478 -3.811
351 HD22 LEU 51 1HD2 LEU 51 5.230 0.537 -2.124
352 HD23 LEU 51 2HD2 LEU 51 6.607 -0.507 -2.603
353 H PHE 52 H PHE 52 4.383 1.012 0.367
354 HA PHE 52 HA PHE 52 5.735 -0.788 2.344
355 HB3 PHE 52 2HB PHE 52 3.605 -1.008 3.412
356 HD1 PHE 52 2HD PHE 52 5.792 0.313 4.480
357 HD2 PHE 52 1HD PHE 52 2.246 2.129 2.840
358 HE1 PHE 52 2HE PHE 52 6.194 2.344 5.853
359 HE2 PHE 52 1HE PHE 52 2.681 4.181 4.179
360 HZ PHE 52 HZ PHE 52 4.661 4.311 5.657
361 H SER 53 H SER 53 5.450 -2.928 2.131
362 HA SER 53 HA SER 53 3.988 -4.045 -0.205
363 HB3 SER 53 2HB SER 53 6.274 -5.634 0.577
364 HG SER 53 HG SER 53 5.311 -5.447 -1.481
365 H GLU 54 H GLU 54 3.198 -6.295 0.332
366 HA GLU 54 HA GLU 54 2.683 -6.541 3.195
367 HB3 GLU 54 2HB GLU 54 0.859 -7.037 1.654
368 HG3 GLU 54 2HG GLU 54 2.731 -9.204 0.669
369 H ALA 55 H ALA 55 3.198 -8.590 4.291
370 HA ALA 55 HA ALA 55 4.706 -10.584 3.003
371 HB1 ALA 55 1HB ALA 55 6.687 -9.267 3.582
372 HB2 ALA 55 2HB ALA 55 6.070 -9.000 5.231
373 HB3 ALA 55 3HB ALA 55 6.596 -10.615 4.711
374 H THR 56 H THR 56 5.150 -12.281 4.914
375 HA THR 56 HA THR 56 3.080 -12.184 6.941
376 HB THR 56 HB THR 56 3.064 -14.865 6.263
377 HG1 THR 56 1HG THR 56 2.759 -13.410 3.859
378 HG21 THR 56 3HG2 THR 56 0.776 -14.496 5.406
379 HG22 THR 56 1HG2 THR 56 1.089 -12.742 5.357
380 HG23 THR 56 2HG2 THR 56 1.083 -13.614 6.901
381 H ARG 57 H ARG 57 3.651 -13.448 8.775
382 HA ARG 57 HA ARG 57 6.554 -14.107 8.910
383 HB3 ARG 57 2HB ARG 57 5.715 -12.781 10.720
384 HG3 ARG 57 2HG ARG 57 3.681 -14.984 11.188
385 HD3 ARG 57 2HD ARG 57 3.121 -13.603 13.256
386 HE ARG 57 HE ARG 57 5.016 -15.691 13.083
387 HH11 ARG 57 1HH1 ARG 57 4.071 -13.109 15.364
388 HH12 ARG 57 2HH1 ARG 57 4.552 -14.004 16.756
389 HH21 ARG 57 1HH2 ARG 57 5.556 -16.921 14.961
390 HH22 ARG 57 2HH2 ARG 57 5.413 -16.210 16.508
391 H GLY 58 H GLY 58 7.067 -16.119 10.263
392 HA2 GLY 58 1HA GLY 58 6.234 -18.426 8.915
393 HA3 GLY 58 2HA GLY 58 7.123 -18.376 10.442
394 H ASP 59 H ASP 59 4.172 -16.796 10.840
395 HA ASP 59 HA ASP 59 2.783 -19.271 11.611
396 HB3 ASP 59 2HB ASP 59 2.409 -16.782 13.211
397 H GLY 60 H GLY 60 2.865 -17.143 9.284
398 HA2 GLY 60 1HA GLY 60 1.398 -16.410 7.731
399 HA3 GLY 60 2HA GLY 60 0.194 -17.474 8.459
400 H GLU 61 H GLU 61 1.816 -14.601 9.993
401 HA GLU 61 HA GLU 61 -0.831 -13.247 10.184
402 HB3 GLU 61 2HB GLU 61 1.655 -12.567 11.761
403 HG3 GLU 61 2HG GLU 61 -1.221 -12.386 12.656
404 H ARG 62 H ARG 62 -0.898 -11.207 9.106
405 HA ARG 62 HA ARG 62 1.282 -10.898 7.131
406 HB3 ARG 62 2HB ARG 62 -1.499 -9.687 7.119
407 HG3 ARG 62 2HG ARG 62 0.219 -10.566 4.754
408 HD3 ARG 62 2HD ARG 62 -1.645 -8.376 4.291
409 HE ARG 62 HE ARG 62 -1.227 -9.526 2.346
410 HH11 ARG 62 1HH1 ARG 62 -2.843 -11.776 4.609
411 HH12 ARG 62 2HH1 ARG 62 -3.030 -12.980 3.385
412 HH21 ARG 62 1HH2 ARG 62 -1.368 -11.069 0.908
413 HH22 ARG 62 2HH2 ARG 62 -2.104 -12.641 1.241
414 H PHE 63 H PHE 63 2.162 -8.735 6.669
415 HA PHE 63 HA PHE 63 1.488 -6.563 8.500
416 HB3 PHE 63 2HB PHE 63 3.141 -7.678 9.827
417 HD1 PHE 63 2HD PHE 63 3.749 -9.950 8.856
418 HD2 PHE 63 1HD PHE 63 5.920 -6.340 7.724
419 HE1 PHE 63 2HE PHE 63 5.791 -11.259 8.423
420 HE2 PHE 63 1HE PHE 63 7.879 -7.720 7.228
421 HZ PHE 63 HZ PHE 63 7.827 -10.163 7.586
422 H TRP 64 H TRP 64 2.880 -4.598 7.856
423 HA TRP 64 HA TRP 64 3.336 -4.590 4.913
424 HB3 TRP 64 2HB TRP 64 3.011 -2.144 5.126
425 HD1 TRP 64 HD TRP 64 0.123 -2.555 7.231
426 HE1 TRP 64 1HE TRP 64 -1.975 -2.974 5.896
427 HE3 TRP 64 3HE TRP 64 2.290 -3.565 2.753
428 HZ2 TRP 64 2HZ TRP 64 -2.656 -3.933 3.155
429 HZ3 TRP 64 3HZ TRP 64 0.970 -4.283 0.826
430 HH2 TRP 64 HH TRP 64 -1.514 -4.505 0.978
431 H MET 65 H MET 65 5.342 -4.857 4.550
432 HA MET 65 HA MET 65 7.513 -3.700 6.245
433 HB3 MET 65 2HB MET 65 7.510 -6.105 5.838
434 HG3 MET 65 2HG MET 65 7.072 -5.353 3.040
435 HE1 MET 65 3HE MET 65 9.120 -8.298 4.602
436 HE2 MET 65 1HE MET 65 10.653 -8.218 3.701
437 HE3 MET 65 2HE MET 65 10.247 -6.945 4.863
438 H GLN 66 H GLN 66 9.486 -2.974 5.107
439 HA GLN 66 HA GLN 66 8.948 -1.437 2.627
440 HB3 GLN 66 2HB GLN 66 10.465 0.213 3.300
441 HG3 GLN 66 2HG GLN 66 9.043 -0.449 5.884
442 HE21 GLN 66 1HE2 GLN 66 7.974 2.340 4.387
443 HE22 GLN 66 2HE2 GLN 66 9.000 3.487 5.272
444 HA PRO 67 HA PRO 67 12.161 -4.592 1.451
445 HB3 PRO 67 2HB PRO 67 10.501 -5.755 0.280
446 HG3 PRO 67 2HG PRO 67 8.724 -4.553 -0.826
447 HD3 PRO 67 2HD PRO 67 8.630 -4.046 1.503
448 H VAL 68 H VAL 68 11.260 -1.452 0.372
449 HA VAL 68 HA VAL 68 14.002 -0.977 -0.607
450 HB VAL 68 HB VAL 68 12.665 -0.923 -2.564
451 HG11 VAL 68 1HG1 VAL 68 10.763 1.037 -1.224
452 HG12 VAL 68 2HG1 VAL 68 10.776 0.557 -2.934
453 HG13 VAL 68 3HG1 VAL 68 10.396 -0.640 -1.699
454 HG21 VAL 68 3HG2 VAL 68 14.359 0.833 -2.413
455 HG22 VAL 68 1HG2 VAL 68 12.964 1.356 -3.360
456 HG23 VAL 68 2HG2 VAL 68 13.165 1.946 -1.696
457 H ARG 69 H ARG 69 14.998 0.444 0.658
458 HA ARG 69 HA ARG 69 13.456 1.903 2.732
459 HB3 ARG 69 2HB ARG 69 16.084 0.500 3.295
460 HG3 ARG 69 2HG ARG 69 14.415 0.241 5.501
461 HD3 ARG 69 2HD ARG 69 15.565 2.512 6.286
462 HE ARG 69 HE ARG 69 16.146 -0.049 6.754
463 HH11 ARG 69 1HH1 ARG 69 18.229 2.732 6.116
464 HH12 ARG 69 2HH1 ARG 69 19.677 1.969 6.697
465 HH21 ARG 69 1HH2 ARG 69 17.879 -0.901 7.811
466 HH22 ARG 69 2HH2 ARG 69 19.493 -0.227 7.697
467 H SER 70 H SER 70 13.690 3.325 0.876
468 HA SER 70 HA SER 70 16.174 4.912 0.740
469 HB3 SER 70 2HB SER 70 15.466 5.227 -1.712
470 HG SER 70 HG SER 70 16.432 3.492 -2.475
471 H THR 71 H THR 71 15.566 7.107 -0.125
472 HA THR 71 HA THR 71 12.724 7.832 0.244
473 HB THR 71 HB THR 71 13.963 8.688 2.071
474 HG1 THR 71 1HG THR 71 13.091 10.797 0.386
475 HG21 THR 71 3HG2 THR 71 16.059 8.948 0.977
476 HG22 THR 71 1HG2 THR 71 15.547 10.521 1.648
477 HG23 THR 71 2HG2 THR 71 15.365 10.177 -0.102
478 H PHE 72 H PHE 72 15.254 7.402 -1.978
479 HA PHE 72 HA PHE 72 14.844 9.467 -3.828
480 HB3 PHE 72 2HB PHE 72 15.331 7.268 -5.379
481 HD1 PHE 72 1HD PHE 72 16.919 9.687 -2.961
482 HD2 PHE 72 2HD PHE 72 17.370 7.301 -6.524
483 HE1 PHE 72 1HE PHE 72 18.924 10.975 -3.575
484 HE2 PHE 72 2HE PHE 72 19.404 8.572 -7.117
485 HZ PHE 72 HZ PHE 72 20.172 10.415 -5.679
486 H GLU 73 H GLU 73 13.072 10.148 -4.619
487 HA GLU 73 HA GLU 73 10.612 8.970 -4.912
488 HB3 GLU 73 2HB GLU 73 10.027 10.693 -6.323
489 HG3 GLU 73 2HG GLU 73 12.614 11.862 -5.199
490 HA PRO 74 HA PRO 74 11.681 7.046 -9.181
491 HB3 PRO 74 2HB PRO 74 13.501 7.776 -10.269
492 HG3 PRO 74 2HG PRO 74 15.330 8.768 -9.069
493 HD3 PRO 74 2HD PRO 74 13.372 9.799 -8.258
494 H ASP 75 H ASP 75 13.653 6.143 -6.300
495 HA ASP 75 HA ASP 75 13.716 3.317 -6.889
496 HB3 ASP 75 2HB ASP 75 14.081 3.052 -4.431
497 H LEU 76 H LEU 76 11.462 5.573 -5.466
498 HA LEU 76 HA LEU 76 9.798 3.506 -4.282
499 HB3 LEU 76 2HB LEU 76 8.553 5.475 -3.337
500 HG LEU 76 HG LEU 76 11.581 5.528 -2.954
501 HD11 LEU 76 1HD1 LEU 76 9.390 7.023 -1.494
502 HD12 LEU 76 2HD1 LEU 76 10.600 7.735 -2.595
503 HD13 LEU 76 3HD1 LEU 76 11.111 7.011 -1.054
504 HD21 LEU 76 3HD2 LEU 76 11.025 4.568 -0.739
505 HD22 LEU 76 1HD2 LEU 76 10.548 3.502 -2.069
506 HD23 LEU 76 2HD2 LEU 76 9.320 4.478 -1.224
507 H ASP 77 H ASP 77 9.881 4.986 -7.236
508 HA ASP 77 HA ASP 77 6.966 4.343 -7.745
509 HB3 ASP 77 2HB ASP 77 8.494 5.862 -9.805
510 H ALA 78 H ALA 78 10.249 4.018 -9.174
511 HA ALA 78 HA ALA 78 9.548 2.341 -11.301
512 HB1 ALA 78 1HB ALA 78 11.900 1.738 -11.341
513 HB2 ALA 78 2HB ALA 78 11.764 3.454 -10.906
514 HB3 ALA 78 3HB ALA 78 12.109 2.242 -9.649
515 H TYR 79 H TYR 79 9.885 1.615 -7.874
516 HA TYR 79 HA TYR 79 10.179 -1.199 -7.927
517 HB3 TYR 79 2HB TYR 79 8.414 0.337 -5.994
518 HD1 TYR 79 2HD TYR 79 7.392 -2.079 -5.896
519 HD2 TYR 79 1HD TYR 79 11.410 -1.107 -4.697
520 HE1 TYR 79 2HE TYR 79 7.512 -4.192 -4.760
521 HE2 TYR 79 1HE TYR 79 11.551 -3.244 -3.452
522 HH TYR 79 HH TYR 79 8.915 -5.648 -3.381
523 H ALA 80 H ALA 80 7.180 0.802 -7.945
524 HA ALA 80 HA ALA 80 5.451 -1.494 -8.155
525 HB1 ALA 80 1HB ALA 80 4.614 0.460 -7.104
526 HB2 ALA 80 2HB ALA 80 5.059 1.516 -8.475
527 HB3 ALA 80 3HB ALA 80 3.735 0.323 -8.634
528 H GLU 81 H GLU 81 7.185 0.469 -10.488
529 HA GLU 81 HA GLU 81 5.479 -0.216 -12.778
530 HB3 GLU 81 2HB GLU 81 7.353 0.558 -14.149
531 HG3 GLU 81 2HG GLU 81 7.118 2.580 -11.892
532 H ARG 82 H ARG 82 8.415 -1.415 -11.205
533 HA ARG 82 HA ARG 82 8.945 -3.513 -12.988
534 HB3 ARG 82 2HB ARG 82 9.608 -3.377 -10.002
535 HG3 ARG 82 2HG ARG 82 11.380 -4.250 -12.327
536 HD3 ARG 82 2HD ARG 82 11.691 -4.736 -9.343
537 HE ARG 82 HE ARG 82 13.447 -5.915 -10.168
538 HH11 ARG 82 1HH1 ARG 82 13.335 -2.838 -11.948
539 HH12 ARG 82 2HH1 ARG 82 14.879 -3.018 -12.676
540 HH21 ARG 82 1HH2 ARG 82 15.497 -6.157 -11.076
541 HH22 ARG 82 2HH2 ARG 82 16.242 -4.916 -12.029
542 H ALA 83 H ALA 83 7.461 -3.664 -9.740
543 HA ALA 83 HA ALA 83 7.113 -6.459 -9.720
544 HB1 ALA 83 1HB ALA 83 6.948 -4.964 -7.690
545 HB2 ALA 83 2HB ALA 83 5.410 -4.329 -8.318
546 HB3 ALA 83 3HB ALA 83 5.551 -6.039 -7.873
547 H ALA 84 H ALA 84 5.052 -3.842 -10.913
548 HA ALA 84 HA ALA 84 2.827 -5.666 -11.526
549 HB1 ALA 84 1HB ALA 84 1.585 -3.650 -11.986
550 HB2 ALA 84 2HB ALA 84 2.468 -3.435 -10.463
551 HB3 ALA 84 3HB ALA 84 3.055 -2.661 -11.957
552 H ARG 85 H ARG 85 5.336 -6.050 -12.973
553 HA ARG 85 HA ARG 85 4.087 -5.959 -15.703
554 HB3 ARG 85 2HB ARG 85 6.527 -6.343 -16.525
555 HG3 ARG 85 2HG ARG 85 5.538 -3.701 -15.437
556 HD3 ARG 85 2HD ARG 85 8.051 -4.291 -17.044
557 HE ARG 85 HE ARG 85 6.995 -1.613 -16.205
558 HH11 ARG 85 1HH1 ARG 85 7.864 -3.672 -18.957
559 HH12 ARG 85 2HH1 ARG 85 8.460 -2.327 -19.907
560 HH21 ARG 85 1HH2 ARG 85 7.679 0.159 -17.550
561 HH22 ARG 85 2HH2 ARG 85 8.262 -0.182 -19.146
562 H ILE 86 H ILE 86 5.580 -7.898 -13.125
563 HA ILE 86 HA ILE 86 5.393 -10.268 -14.911
564 HB ILE 86 HB ILE 86 7.025 -10.333 -12.398
565 HG13 ILE 86 2HG1 ILE 86 7.788 -8.777 -14.860
566 HG21 ILE 86 1HG2 ILE 86 7.341 -11.652 -15.124
567 HG22 ILE 86 2HG2 ILE 86 8.230 -12.047 -13.639
568 HG23 ILE 86 3HG2 ILE 86 6.506 -12.380 -13.734
569 HD11 ILE 86 3HD1 ILE 86 7.632 -7.853 -12.454
570 HD12 ILE 86 1HD1 ILE 86 9.040 -8.854 -12.075
571 HD13 ILE 86 2HD1 ILE 86 9.184 -7.572 -13.286
572 H ASP 87 H ASP 87 4.398 -8.903 -11.784
573 HA ASP 87 HA ASP 87 2.799 -11.322 -11.198
574 HB3 ASP 87 2HB ASP 87 2.430 -10.087 -9.003
575 HA PRO 88 HA PRO 88 -0.228 -8.318 -13.083
576 HB3 PRO 88 2HB PRO 88 -0.602 -9.815 -14.857
577 HG3 PRO 88 2HG PRO 88 -0.399 -12.172 -14.543
578 HD3 PRO 88 2HD PRO 88 1.659 -11.199 -13.920
579 H ASP 89 H ASP 89 -0.437 -10.918 -10.725
580 HA ASP 89 HA ASP 89 -3.152 -10.306 -9.898
581 HB3 ASP 89 2HB ASP 89 -2.793 -12.171 -8.310
582 H ILE 90 H ILE 90 -0.650 -8.377 -9.458
583 HA ILE 90 HA ILE 90 -0.679 -8.176 -6.546
584 HB ILE 90 HB ILE 90 1.324 -8.108 -8.064
585 HG13 ILE 90 2HG1 ILE 90 1.322 -7.481 -5.677
586 HG21 ILE 90 1HG2 ILE 90 1.956 -6.118 -9.231
587 HG22 ILE 90 2HG2 ILE 90 0.322 -6.506 -9.752
588 HG23 ILE 90 3HG2 ILE 90 0.566 -5.202 -8.588
589 HD11 ILE 90 3HD1 ILE 90 3.436 -6.245 -5.667
590 HD12 ILE 90 1HD1 ILE 90 3.449 -7.542 -6.876
591 HD13 ILE 90 2HD1 ILE 90 3.241 -5.857 -7.388
592 H TRP 91 H TRP 91 -1.211 -6.169 -5.493
593 HA TRP 91 HA TRP 91 -3.159 -4.449 -6.975
594 HB3 TRP 91 2HB TRP 91 -3.732 -3.915 -4.460
595 HD1 TRP 91 HD TRP 91 -3.474 -7.658 -5.354
596 HE1 TRP 91 1HE TRP 91 -5.783 -8.660 -5.521
597 HE3 TRP 91 3HE TRP 91 -6.200 -3.427 -4.625
598 HZ2 TRP 91 2HZ TRP 91 -8.553 -7.699 -5.573
599 HZ3 TRP 91 3HZ TRP 91 -8.706 -3.557 -4.481
600 HH2 TRP 91 HH TRP 91 -9.868 -5.673 -5.003
601 H VAL 92 H VAL 92 -3.070 -2.141 -6.601
602 HA VAL 92 HA VAL 92 -0.505 -0.992 -5.658
603 HB VAL 92 HB VAL 92 -1.941 -0.394 -8.278
604 HG11 VAL 92 1HG1 VAL 92 -0.963 1.652 -7.326
605 HG12 VAL 92 2HG1 VAL 92 0.604 0.847 -7.143
606 HG13 VAL 92 3HG1 VAL 92 -0.068 1.143 -8.760
607 HG21 VAL 92 3HG2 VAL 92 -0.479 -2.463 -8.426
608 HG22 VAL 92 1HG2 VAL 92 0.019 -1.135 -9.474
609 HG23 VAL 92 2HG2 VAL 92 0.896 -1.427 -7.969
610 H VAL 93 H VAL 93 -1.187 0.331 -4.038
611 HA VAL 93 HA VAL 93 -3.903 1.539 -4.152
612 HB VAL 93 HB VAL 93 -2.464 0.458 -1.709
613 HG11 VAL 93 1HG1 VAL 93 -4.726 0.532 -0.691
614 HG12 VAL 93 2HG1 VAL 93 -4.179 2.123 -1.209
615 HG13 VAL 93 3HG1 VAL 93 -5.371 1.249 -2.188
616 HG21 VAL 93 3HG2 VAL 93 -2.949 -1.492 -3.131
617 HG22 VAL 93 1HG2 VAL 93 -4.034 -1.461 -1.750
618 HG23 VAL 93 2HG2 VAL 93 -4.628 -0.940 -3.339
619 H GLU 94 H GLU 94 -3.666 3.680 -4.410
620 HA GLU 94 HA GLU 94 -1.067 4.922 -3.729
621 HB3 GLU 94 2HB GLU 94 -1.792 6.471 -5.598
622 HG3 GLU 94 2HG GLU 94 -1.673 4.870 -7.467
623 H ILE 95 H ILE 95 -1.084 6.360 -2.055
624 HA ILE 95 HA ILE 95 -3.619 7.673 -1.296
625 HB ILE 95 HB ILE 95 -1.495 6.587 0.606
626 HG13 ILE 95 2HG1 ILE 95 -4.367 5.772 0.053
627 HG21 ILE 95 1HG2 ILE 95 -2.706 7.403 2.469
628 HG22 ILE 95 2HG2 ILE 95 -2.529 8.790 1.382
629 HG23 ILE 95 3HG2 ILE 95 -4.073 7.901 1.481
630 HD11 ILE 95 3HD1 ILE 95 -2.834 4.339 -1.065
631 HD12 ILE 95 1HD1 ILE 95 -1.726 4.308 0.317
632 HD13 ILE 95 2HD1 ILE 95 -3.308 3.480 0.405
633 H GLU 96 H GLU 96 -3.139 9.835 -2.093
634 HA GLU 96 HA GLU 96 -0.497 11.055 -1.375
635 HB3 GLU 96 2HB GLU 96 -1.689 13.142 -2.311
636 HG3 GLU 96 2HG GLU 96 -1.056 11.005 -4.354
637 H ASP 97 H ASP 97 -0.471 11.806 0.821
638 HA ASP 97 HA ASP 97 -3.042 12.900 1.796
639 HB3 ASP 97 2HB ASP 97 -1.073 11.120 3.260
640 H ARG 98 H ARG 98 -2.732 14.377 3.565
641 HA ARG 98 HA ARG 98 -0.778 16.428 2.682
642 HB3 ARG 98 2HB ARG 98 -2.370 17.959 3.884
643 HG3 ARG 98 2HG ARG 98 -4.464 17.091 2.374
644 HD3 ARG 98 2HD ARG 98 -1.912 18.502 1.616
645 HE ARG 98 HE ARG 98 -3.942 17.579 -0.317
646 HH11 ARG 98 1HH1 ARG 98 -1.477 20.111 0.262
647 HH12 ARG 98 2HH1 ARG 98 -1.127 20.262 -1.437
648 HH21 ARG 98 1HH2 ARG 98 -3.365 17.851 -2.576
649 HH22 ARG 98 2HH2 ARG 98 -2.255 19.140 -2.983
650 H ASP 99 H ASP 99 -1.206 14.238 5.229
651 HA ASP 99 HA ASP 99 0.969 15.584 6.729
652 HB3 ASP 99 2HB ASP 99 -1.366 14.244 8.106
653 H GLY 100 H GLY 100 0.911 13.398 4.699
654 HA2 GLY 100 1HA GLY 100 2.152 11.477 4.346
655 HA3 GLY 100 2HA GLY 100 2.962 11.882 5.875
656 H ARG 101 H ARG 101 -0.479 11.057 5.556
657 HA ARG 101 HA ARG 101 -0.188 9.032 7.671
658 HB3 ARG 101 2HB ARG 101 -2.680 8.715 7.241
659 HG3 ARG 101 2HG ARG 101 -1.830 11.596 7.694
660 HD3 ARG 101 2HD ARG 101 -4.142 9.859 8.641
661 HE ARG 101 HE ARG 101 -2.930 12.082 9.886
662 HH11 ARG 101 1HH1 ARG 101 -6.218 10.979 9.079
663 HH12 ARG 101 2HH1 ARG 101 -6.910 11.832 10.429
664 HH21 ARG 101 1HH2 ARG 101 -3.784 12.877 11.696
665 HH22 ARG 101 2HH2 ARG 101 -5.477 12.787 12.098
666 H HIS 102 H HIS 102 -1.632 6.977 7.233
667 HA HIS 102 HA HIS 102 -1.028 5.827 4.565
668 HB3 HIS 102 2HB HIS 102 0.605 4.686 5.733
669 HD1 HIS 102 1HD HIS 102 -1.430 2.783 8.311
670 HD2 HIS 102 2HD HIS 102 1.085 6.165 8.041
671 HE1 HIS 102 1HE HIS 102 -0.723 3.349 10.660
672 H PHE 103 H PHE 103 -3.188 6.174 7.328
673 HA PHE 103 HA PHE 103 -5.299 5.687 7.705
674 HB3 PHE 103 2HB PHE 103 -6.826 5.462 5.639
675 HD1 PHE 103 2HD PHE 103 -7.844 7.114 7.094
676 HD2 PHE 103 1HD PHE 103 -4.350 8.125 4.770
677 HE1 PHE 103 2HE PHE 103 -8.253 9.522 7.512
678 HE2 PHE 103 1HE PHE 103 -4.839 10.516 5.099
679 HZ PHE 103 HZ PHE 103 -6.755 11.233 6.485
680 H LEU 104 H LEU 104 -3.376 3.312 6.368
681 HA LEU 104 HA LEU 104 -4.928 0.970 6.404
682 HB3 LEU 104 2HB LEU 104 -2.771 -0.163 6.962
683 HG LEU 104 HG LEU 104 -2.407 2.113 4.983
684 HD11 LEU 104 1HD1 LEU 104 -0.262 1.206 4.368
685 HD12 LEU 104 2HD1 LEU 104 -0.452 -0.143 5.534
686 HD13 LEU 104 3HD1 LEU 104 -0.226 1.498 6.102
687 HD21 LEU 104 3HD2 LEU 104 -2.657 -0.895 4.583
688 HD22 LEU 104 1HD2 LEU 104 -2.505 0.341 3.315
689 HD23 LEU 104 2HD2 LEU 104 -3.947 0.293 4.334
690 H THR 105 H THR 105 -5.605 -0.401 8.052
691 HA THR 105 HA THR 105 -5.582 0.513 10.790
692 HB THR 105 HB THR 105 -7.386 -0.744 9.479
693 HG1 THR 105 1HG THR 105 -7.512 -0.561 11.770
694 HG21 THR 105 3HG2 THR 105 -6.039 -2.595 8.583
695 HG22 THR 105 1HG2 THR 105 -7.359 -3.213 9.590
696 HG23 THR 105 2HG2 THR 105 -5.736 -3.201 10.230
697 H GLU 106 H GLU 106 -3.660 -1.665 8.910
698 HA GLU 106 HA GLU 106 -2.986 -3.668 10.711
699 HB3 GLU 106 2HB GLU 106 -1.284 -4.157 8.775
700 HG3 GLU 106 2HG GLU 106 -3.014 -4.386 7.005
701 HA PRO 107 HA PRO 107 1.129 -2.449 12.346
702 HB3 PRO 107 2HB PRO 107 1.316 -4.547 13.352
703 HG3 PRO 107 2HG PRO 107 0.533 -6.523 12.257
704 HD3 PRO 107 2HD PRO 107 -1.292 -5.012 12.381
705 H VAL 108 H VAL 108 2.679 -1.357 11.285
706 HA VAL 108 HA VAL 108 3.716 -2.333 8.723
707 HB VAL 108 HB VAL 108 2.036 -0.824 8.135
708 HG11 VAL 108 1HG1 VAL 108 1.532 0.334 10.137
709 HG12 VAL 108 2HG1 VAL 108 3.054 1.255 10.020
710 HG13 VAL 108 3HG1 VAL 108 1.768 1.460 8.801
711 HG21 VAL 108 3HG2 VAL 108 4.103 -0.547 6.842
712 HG22 VAL 108 1HG2 VAL 108 3.230 0.978 6.948
713 HG23 VAL 108 2HG2 VAL 108 4.667 0.701 7.965
714 H GLU 109 H GLU 109 5.855 -2.438 8.709
715 HA GLU 109 HA GLU 109 7.503 -1.878 11.001
716 HB3 GLU 109 2HB GLU 109 9.228 -2.442 9.043
717 HG3 GLU 109 2HG GLU 109 8.061 -4.910 8.955
718 H SER 110 H SER 110 9.491 -0.689 10.676
719 HA SER 110 HA SER 110 9.450 1.720 8.982
720 HB3 SER 110 2HB SER 110 9.980 3.127 11.065
721 HG SER 110 HG SER 110 7.559 2.394 11.848
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -9.264 -19.034 12.615
2 HA2 GLY 1 1HA GLY 1 -9.700 -16.840 13.462
3 HA3 GLY 1 2HA GLY 1 -8.553 -16.693 12.109
4 H MET 2 H MET 2 -9.144 -14.785 11.107
5 HA MET 2 HA MET 2 -11.970 -14.438 10.234
6 HB3 MET 2 2HB MET 2 -10.976 -12.414 11.019
7 HG3 MET 2 2HG MET 2 -8.550 -12.904 10.683
8 HE1 MET 2 3HE MET 2 -6.704 -11.060 8.947
9 HE2 MET 2 1HE MET 2 -6.282 -12.700 9.486
10 HE3 MET 2 2HE MET 2 -6.064 -12.241 7.783
11 H LEU 3 H LEU 3 -12.119 -13.858 7.778
12 HA LEU 3 HA LEU 3 -9.940 -14.923 6.153
13 HB3 LEU 3 2HB LEU 3 -12.701 -15.783 5.325
14 HG LEU 3 HG LEU 3 -11.596 -17.617 4.318
15 HD11 LEU 3 1HD1 LEU 3 -11.086 -15.516 3.064
16 HD12 LEU 3 2HD1 LEU 3 -9.829 -16.752 2.887
17 HD13 LEU 3 3HD1 LEU 3 -9.554 -15.375 3.948
18 HD21 LEU 3 3HD2 LEU 3 -9.145 -16.914 5.943
19 HD22 LEU 3 1HD2 LEU 3 -9.257 -18.245 4.773
20 HD23 LEU 3 2HD2 LEU 3 -10.237 -18.249 6.261
21 H LEU 4 H LEU 4 -9.954 -12.530 6.330
22 HA LEU 4 HA LEU 4 -11.853 -11.039 4.634
23 HB3 LEU 4 2HB LEU 4 -10.027 -9.235 4.970
24 HG LEU 4 HG LEU 4 -11.770 -10.452 7.125
25 HD11 LEU 4 1HD1 LEU 4 -11.211 -8.893 8.798
26 HD12 LEU 4 2HD1 LEU 4 -10.108 -7.993 7.758
27 HD13 LEU 4 3HD1 LEU 4 -9.685 -9.637 8.312
28 HD21 LEU 4 3HD2 LEU 4 -11.630 -7.734 5.740
29 HD22 LEU 4 1HD2 LEU 4 -12.825 -8.207 6.974
30 HD23 LEU 4 2HD2 LEU 4 -12.770 -9.051 5.398
31 H SER 5 H SER 5 -11.183 -10.008 2.620
32 HA SER 5 HA SER 5 -9.136 -11.578 1.145
33 HB3 SER 5 2HB SER 5 -10.554 -11.628 -0.741
34 HG SER 5 HG SER 5 -12.473 -11.986 1.307
35 H THR 6 H THR 6 -8.111 -10.287 -0.710
36 HA THR 6 HA THR 6 -7.163 -7.955 0.435
37 HB THR 6 HB THR 6 -6.846 -8.567 -2.513
38 HG1 THR 6 1HG THR 6 -4.946 -9.746 -1.571
39 HG21 THR 6 3HG2 THR 6 -4.992 -7.305 -0.454
40 HG22 THR 6 1HG2 THR 6 -5.851 -6.439 -1.755
41 HG23 THR 6 2HG2 THR 6 -4.604 -7.619 -2.160
42 H ASP 7 H ASP 7 -9.595 -8.294 -2.131
43 HA ASP 7 HA ASP 7 -10.111 -5.585 -2.715
44 HB3 ASP 7 2HB ASP 7 -12.090 -7.876 -2.497
45 H ILE 8 H ILE 8 -11.108 -7.482 0.107
46 HA ILE 8 HA ILE 8 -13.271 -5.784 0.894
47 HB ILE 8 HB ILE 8 -11.717 -7.717 2.601
48 HG13 ILE 8 2HG1 ILE 8 -13.306 -9.333 2.108
49 HG21 ILE 8 1HG2 ILE 8 -14.272 -6.126 2.905
50 HG22 ILE 8 2HG2 ILE 8 -14.038 -7.669 3.794
51 HG23 ILE 8 3HG2 ILE 8 -12.916 -6.323 4.034
52 HD11 ILE 8 3HD1 ILE 8 -15.062 -9.166 0.398
53 HD12 ILE 8 1HD1 ILE 8 -15.406 -8.172 1.822
54 HD13 ILE 8 2HD1 ILE 8 -14.803 -7.411 0.334
55 H TRP 9 H TRP 9 -9.809 -6.046 1.832
56 HA TRP 9 HA TRP 9 -9.990 -4.046 3.915
57 HB3 TRP 9 2HB TRP 9 -7.532 -4.012 3.773
58 HD1 TRP 9 HD TRP 9 -9.341 -5.472 5.802
59 HE1 TRP 9 1HE TRP 9 -8.660 -7.789 6.756
60 HE3 TRP 9 3HE TRP 9 -6.304 -7.038 2.057
61 HZ2 TRP 9 2HZ TRP 9 -7.008 -10.034 5.961
62 HZ3 TRP 9 3HZ TRP 9 -5.279 -9.327 2.090
63 HH2 TRP 9 HH TRP 9 -5.642 -10.802 4.050
64 H VAL 10 H VAL 10 -8.786 -4.045 0.514
65 HA VAL 10 HA VAL 10 -7.990 -1.336 0.444
66 HB VAL 10 HB VAL 10 -8.959 -3.141 -1.805
67 HG11 VAL 10 1HG1 VAL 10 -7.600 -1.535 -3.250
68 HG12 VAL 10 2HG1 VAL 10 -9.085 -0.838 -2.593
69 HG13 VAL 10 3HG1 VAL 10 -7.515 -0.444 -1.858
70 HG21 VAL 10 3HG2 VAL 10 -6.112 -2.371 -1.016
71 HG22 VAL 10 1HG2 VAL 10 -6.872 -3.888 -0.509
72 HG23 VAL 10 2HG2 VAL 10 -6.615 -3.570 -2.220
73 H ALA 11 H ALA 11 -11.186 -2.869 -0.252
74 HA ALA 11 HA ALA 11 -12.556 -0.659 -1.126
75 HB1 ALA 11 1HB ALA 11 -13.555 -2.928 0.738
76 HB2 ALA 11 2HB ALA 11 -14.591 -1.820 -0.182
77 HB3 ALA 11 3HB ALA 11 -13.523 -2.952 -1.028
78 H ALA 12 H ALA 12 -12.103 -1.673 2.283
79 HA ALA 12 HA ALA 12 -13.603 0.589 3.305
80 HB1 ALA 12 1HB ALA 12 -13.407 -1.467 4.638
81 HB2 ALA 12 2HB ALA 12 -11.629 -1.328 4.677
82 HB3 ALA 12 3HB ALA 12 -12.643 -0.128 5.507
83 H LEU 13 H LEU 13 -10.088 -0.117 3.193
84 HA LEU 13 HA LEU 13 -8.910 2.117 4.216
85 HB3 LEU 13 2HB LEU 13 -8.241 0.176 2.019
86 HG LEU 13 HG LEU 13 -7.143 2.354 1.327
87 HD11 LEU 13 1HD1 LEU 13 -6.828 3.320 3.610
88 HD12 LEU 13 2HD1 LEU 13 -5.309 3.201 2.726
89 HD13 LEU 13 3HD1 LEU 13 -5.685 2.010 3.987
90 HD21 LEU 13 3HD2 LEU 13 -4.816 1.293 1.322
91 HD22 LEU 13 1HD2 LEU 13 -6.133 0.334 0.619
92 HD23 LEU 13 2HD2 LEU 13 -5.525 -0.030 2.244
93 H ILE 14 H ILE 14 -9.950 1.745 0.755
94 HA ILE 14 HA ILE 14 -9.345 4.456 0.084
95 HB ILE 14 HB ILE 14 -11.158 2.322 -1.083
96 HG13 ILE 14 2HG1 ILE 14 -9.449 2.131 -2.800
97 HG21 ILE 14 1HG2 ILE 14 -12.184 4.368 -1.845
98 HG22 ILE 14 2HG2 ILE 14 -10.622 5.099 -2.232
99 HG23 ILE 14 3HG2 ILE 14 -11.234 3.728 -3.183
100 HD11 ILE 14 3HD1 ILE 14 -8.476 4.527 -2.601
101 HD12 ILE 14 1HD1 ILE 14 -7.655 3.970 -1.133
102 HD13 ILE 14 2HD1 ILE 14 -7.282 3.205 -2.673
103 H ARG 15 H ARG 15 -12.422 2.897 1.143
104 HA ARG 15 HA ARG 15 -13.844 5.305 0.808
105 HB3 ARG 15 2HB ARG 15 -14.693 2.856 1.090
106 HG3 ARG 15 2HG ARG 15 -14.223 3.236 3.573
107 HD3 ARG 15 2HD ARG 15 -16.506 4.976 3.187
108 HE ARG 15 HE ARG 15 -17.360 2.490 4.209
109 HH11 ARG 15 1HH1 ARG 15 -17.565 5.921 5.057
110 HH12 ARG 15 2HH1 ARG 15 -18.907 5.696 6.141
111 HH21 ARG 15 1HH2 ARG 15 -19.376 2.304 5.325
112 HH22 ARG 15 2HH2 ARG 15 -19.865 3.610 6.370
113 H ARG 16 H ARG 16 -11.926 4.276 3.544
114 HA ARG 16 HA ARG 16 -12.899 6.473 5.230
115 HB3 ARG 16 2HB ARG 16 -12.403 4.505 6.389
116 HG3 ARG 16 2HG ARG 16 -9.418 4.437 5.842
117 HD3 ARG 16 2HD ARG 16 -9.692 2.078 6.347
118 HE ARG 16 HE ARG 16 -11.374 2.634 8.538
119 HH11 ARG 16 1HH1 ARG 16 -8.121 3.671 7.430
120 HH12 ARG 16 2HH1 ARG 16 -7.578 4.059 9.007
121 HH21 ARG 16 1HH2 ARG 16 -10.642 3.160 10.617
122 HH22 ARG 16 2HH2 ARG 16 -9.088 3.884 10.831
123 H ALA 17 H ALA 17 -10.161 5.824 3.179
124 HA ALA 17 HA ALA 17 -8.457 7.966 3.907
125 HB1 ALA 17 1HB ALA 17 -7.442 7.657 1.707
126 HB2 ALA 17 2HB ALA 17 -7.790 6.081 2.463
127 HB3 ALA 17 3HB ALA 17 -8.823 6.693 1.151
128 H GLU 18 H GLU 18 -10.666 7.848 1.033
129 HA GLU 18 HA GLU 18 -10.248 10.529 0.281
130 HB3 GLU 18 2HB GLU 18 -12.500 10.225 -0.907
131 HG3 GLU 18 2HG GLU 18 -10.502 7.989 -1.394
132 H LEU 19 H LEU 19 -12.373 9.184 2.656
133 HA LEU 19 HA LEU 19 -14.219 11.224 3.183
134 HB3 LEU 19 2HB LEU 19 -12.940 9.738 5.480
135 HG LEU 19 HG LEU 19 -15.716 10.033 4.373
136 HD11 LEU 19 1HD1 LEU 19 -15.439 7.674 4.991
137 HD12 LEU 19 2HD1 LEU 19 -16.462 8.459 6.198
138 HD13 LEU 19 3HD1 LEU 19 -14.733 8.134 6.552
139 HD21 LEU 19 3HD2 LEU 19 -14.511 10.665 7.098
140 HD22 LEU 19 1HD2 LEU 19 -16.253 10.811 6.692
141 HD23 LEU 19 2HD2 LEU 19 -15.080 11.833 5.862
142 H GLY 20 H GLY 20 -10.904 10.935 4.020
143 HA2 GLY 20 1HA GLY 20 -10.628 13.068 5.965
144 HA3 GLY 20 2HA GLY 20 -9.332 12.348 5.019
145 H GLY 21 H GLY 21 -10.756 12.969 2.420
146 HA2 GLY 21 1HA GLY 21 -10.878 14.895 1.036
147 HA3 GLY 21 2HA GLY 21 -9.994 15.849 2.229
148 H ALA 22 H ALA 22 -8.499 12.801 1.953
149 HA ALA 22 HA ALA 22 -6.279 13.819 0.317
150 HB1 ALA 22 1HB ALA 22 -6.874 11.049 1.471
151 HB2 ALA 22 2HB ALA 22 -5.396 11.499 0.598
152 HB3 ALA 22 3HB ALA 22 -5.759 12.270 2.141
153 H PHE 23 H PHE 23 -5.599 12.624 -1.610
154 HA PHE 23 HA PHE 23 -7.799 11.569 -3.302
155 HB3 PHE 23 2HB PHE 23 -4.914 12.316 -3.919
156 HD1 PHE 23 1HD PHE 23 -7.852 12.920 -6.079
157 HD2 PHE 23 2HD PHE 23 -4.365 10.456 -5.387
158 HE1 PHE 23 1HE PHE 23 -7.972 12.077 -8.406
159 HE2 PHE 23 2HE PHE 23 -4.493 9.640 -7.705
160 HZ PHE 23 HZ PHE 23 -6.279 10.444 -9.233
161 H ALA 24 H ALA 24 -8.011 9.362 -3.245
162 HA ALA 24 HA ALA 24 -5.684 7.641 -2.726
163 HB1 ALA 24 1HB ALA 24 -6.696 7.993 -0.525
164 HB2 ALA 24 2HB ALA 24 -8.314 7.656 -1.173
165 HB3 ALA 24 3HB ALA 24 -7.124 6.355 -1.100
166 H THR 25 H THR 25 -5.926 5.622 -3.908
167 HA THR 25 HA THR 25 -8.480 4.789 -4.824
168 HB THR 25 HB THR 25 -8.107 6.700 -6.381
169 HG1 THR 25 1HG THR 25 -9.162 5.655 -7.824
170 HG21 THR 25 3HG2 THR 25 -5.707 6.426 -6.765
171 HG22 THR 25 1HG2 THR 25 -6.636 6.408 -8.273
172 HG23 THR 25 2HG2 THR 25 -6.013 4.881 -7.605
173 H VAL 26 H VAL 26 -8.210 2.979 -6.468
174 HA VAL 26 HA VAL 26 -5.956 1.201 -5.816
175 HB VAL 26 HB VAL 26 -8.010 0.145 -5.373
176 HG11 VAL 26 1HG1 VAL 26 -9.672 1.552 -6.470
177 HG12 VAL 26 2HG1 VAL 26 -9.133 0.963 -8.070
178 HG13 VAL 26 3HG1 VAL 26 -9.890 -0.141 -6.910
179 HG21 VAL 26 3HG2 VAL 26 -7.247 -0.763 -8.182
180 HG22 VAL 26 1HG2 VAL 26 -6.392 -1.196 -6.681
181 HG23 VAL 26 2HG2 VAL 26 -8.053 -1.732 -6.936
182 H ALA 27 H ALA 27 -4.461 0.957 -7.352
183 HA ALA 27 HA ALA 27 -4.999 1.749 -10.169
184 HB1 ALA 27 1HB ALA 27 -2.456 2.042 -8.517
185 HB2 ALA 27 2HB ALA 27 -2.604 2.400 -10.243
186 HB3 ALA 27 3HB ALA 27 -3.528 3.355 -9.069
187 H ARG 28 H ARG 28 -4.906 -0.928 -8.343
188 HA ARG 28 HA ARG 28 -4.555 -2.444 -10.633
189 HB3 ARG 28 2HB ARG 28 -2.533 -3.648 -8.883
190 HG3 ARG 28 2HG ARG 28 -2.640 -2.762 -11.803
191 HD3 ARG 28 2HD ARG 28 -0.540 -4.545 -10.548
192 HE ARG 28 HE ARG 28 -0.411 -4.635 -12.888
193 HH11 ARG 28 1HH1 ARG 28 -0.140 -1.260 -11.861
194 HH12 ARG 28 2HH1 ARG 28 1.110 -0.814 -12.954
195 HH21 ARG 28 1HH2 ARG 28 1.063 -4.056 -14.543
196 HH22 ARG 28 2HH2 ARG 28 1.844 -2.506 -14.565
197 H LYS 29 H LYS 29 -5.439 -4.648 -10.338
198 HA LYS 29 HA LYS 29 -6.367 -5.248 -7.565
199 HB3 LYS 29 2HB LYS 29 -7.696 -5.856 -10.224
200 HG3 LYS 29 2HG LYS 29 -8.363 -6.697 -7.380
201 HD3 LYS 29 2HD LYS 29 -10.556 -7.496 -8.413
202 HE3 LYS 29 2HE LYS 29 -10.076 -4.504 -8.093
203 HZ1 LYS 29 3HZ LYS 29 -12.571 -6.036 -7.772
204 HZ2 LYS 29 1HZ LYS 29 -12.217 -5.030 -9.045
205 HZ3 LYS 29 2HZ LYS 29 -12.369 -4.424 -7.509
206 H GLY 30 H GLY 30 -4.403 -6.304 -7.114
207 HA2 GLY 30 1HA GLY 30 -3.576 -8.704 -8.475
208 HA3 GLY 30 2HA GLY 30 -3.046 -8.160 -6.880
209 H ASP 31 H ASP 31 -5.353 -9.714 -8.459
210 HA ASP 31 HA ASP 31 -7.103 -11.408 -8.040
211 HB3 ASP 31 2HB ASP 31 -5.002 -12.304 -6.036
212 H ALA 32 H ALA 32 -8.943 -10.593 -7.160
213 HA ALA 32 HA ALA 32 -9.104 -9.073 -4.857
214 HB1 ALA 32 1HB ALA 32 -10.844 -9.027 -6.539
215 HB2 ALA 32 2HB ALA 32 -11.268 -10.719 -6.182
216 HB3 ALA 32 3HB ALA 32 -11.556 -9.468 -4.962
217 H ARG 33 H ARG 33 -9.006 -12.585 -4.909
218 HA ARG 33 HA ARG 33 -9.966 -12.779 -2.186
219 HB3 ARG 33 2HB ARG 33 -8.710 -15.023 -2.233
220 HG3 ARG 33 2HG ARG 33 -11.033 -14.964 -4.159
221 HD3 ARG 33 2HD ARG 33 -10.394 -16.750 -1.767
222 HE ARG 33 HE ARG 33 -12.482 -17.362 -2.562
223 HH11 ARG 33 1HH1 ARG 33 -10.001 -17.783 -5.107
224 HH12 ARG 33 2HH1 ARG 33 -11.001 -18.725 -6.132
225 HH21 ARG 33 1HH2 ARG 33 -13.744 -18.814 -3.876
226 HH22 ARG 33 2HH2 ARG 33 -13.189 -19.248 -5.453
227 H ALA 34 H ALA 34 -6.667 -13.044 -3.645
228 HA ALA 34 HA ALA 34 -5.687 -12.488 -0.880
229 HB1 ALA 34 1HB ALA 34 -5.213 -15.139 -2.267
230 HB2 ALA 34 2HB ALA 34 -4.762 -14.690 -0.610
231 HB3 ALA 34 3HB ALA 34 -6.466 -14.889 -1.016
232 H GLY 35 H GLY 35 -5.316 -11.360 -3.707
233 HA2 GLY 35 1HA GLY 35 -2.840 -11.509 -4.838
234 HA3 GLY 35 2HA GLY 35 -3.483 -10.060 -4.350
235 H ALA 36 H ALA 36 -1.012 -10.141 -4.502
236 HA ALA 36 HA ALA 36 -0.165 -9.404 -1.736
237 HB1 ALA 36 1HB ALA 36 1.661 -10.308 -3.096
238 HB2 ALA 36 2HB ALA 36 1.332 -9.123 -4.386
239 HB3 ALA 36 3HB ALA 36 1.927 -8.585 -2.800
240 H VAL 37 H VAL 37 0.345 -6.947 -1.510
241 HA VAL 37 HA VAL 37 -0.730 -5.213 -3.567
242 HB VAL 37 HB VAL 37 -2.506 -5.247 -2.136
243 HG11 VAL 37 1HG1 VAL 37 -3.000 -5.593 -0.090
244 HG12 VAL 37 2HG1 VAL 37 -2.333 -6.909 -1.008
245 HG13 VAL 37 3HG1 VAL 37 -1.285 -6.093 0.207
246 HG21 VAL 37 3HG2 VAL 37 -1.905 -3.073 -2.598
247 HG22 VAL 37 1HG2 VAL 37 -2.873 -3.278 -1.133
248 HG23 VAL 37 2HG2 VAL 37 -1.128 -2.970 -1.024
249 H LEU 38 H LEU 38 0.220 -3.220 -3.611
250 HA LEU 38 HA LEU 38 2.421 -2.603 -1.707
251 HB3 LEU 38 2HB LEU 38 3.157 -0.946 -3.444
252 HG LEU 38 HG LEU 38 2.975 -3.781 -4.533
253 HD11 LEU 38 1HD1 LEU 38 4.725 -1.447 -5.359
254 HD12 LEU 38 2HD1 LEU 38 3.467 -2.254 -6.321
255 HD13 LEU 38 3HD1 LEU 38 4.943 -3.133 -5.903
256 HD21 LEU 38 3HD2 LEU 38 5.187 -4.140 -3.645
257 HD22 LEU 38 1HD2 LEU 38 4.149 -3.635 -2.337
258 HD23 LEU 38 2HD2 LEU 38 5.279 -2.458 -3.033
259 H VAL 39 H VAL 39 2.233 -0.688 -0.655
260 HA VAL 39 HA VAL 39 -0.035 1.128 -1.322
261 HB VAL 39 HB VAL 39 0.882 0.431 1.499
262 HG11 VAL 39 1HG1 VAL 39 -0.975 1.939 2.221
263 HG12 VAL 39 2HG1 VAL 39 0.285 2.807 1.335
264 HG13 VAL 39 3HG1 VAL 39 -1.237 2.397 0.527
265 HG21 VAL 39 3HG2 VAL 39 -0.680 -1.257 0.335
266 HG22 VAL 39 1HG2 VAL 39 -1.129 -0.649 1.914
267 HG23 VAL 39 2HG2 VAL 39 -1.913 0.000 0.459
268 H LYS 40 H LYS 40 1.201 2.570 -2.440
269 HA LYS 40 HA LYS 40 3.733 3.556 -1.185
270 HB3 LYS 40 2HB LYS 40 2.398 4.070 -3.862
271 HG3 LYS 40 2HG LYS 40 4.893 5.312 -2.600
272 HD3 LYS 40 2HD LYS 40 3.856 5.237 -5.460
273 HE3 LYS 40 2HE LYS 40 5.641 7.328 -4.133
274 HZ1 LYS 40 3HZ LYS 40 4.533 6.976 -6.896
275 HZ2 LYS 40 1HZ LYS 40 6.103 7.141 -6.506
276 HZ3 LYS 40 2HZ LYS 40 5.079 8.438 -6.342
277 H ALA 41 H ALA 41 3.660 5.556 -0.138
278 HA ALA 41 HA ALA 41 1.067 6.947 0.128
279 HB1 ALA 41 1HB ALA 41 1.357 7.007 2.584
280 HB2 ALA 41 2HB ALA 41 1.138 5.336 2.022
281 HB3 ALA 41 3HB ALA 41 2.764 5.938 2.462
282 H VAL 42 H VAL 42 1.482 9.101 -0.097
283 HA VAL 42 HA VAL 42 4.347 9.919 0.041
284 HB VAL 42 HB VAL 42 2.169 10.811 -1.874
285 HG11 VAL 42 1HG1 VAL 42 3.901 11.990 -3.078
286 HG12 VAL 42 2HG1 VAL 42 4.090 12.467 -1.387
287 HG13 VAL 42 3HG1 VAL 42 5.180 11.275 -2.058
288 HG21 VAL 42 3HG2 VAL 42 2.733 8.536 -2.441
289 HG22 VAL 42 1HG2 VAL 42 3.496 9.624 -3.602
290 HG23 VAL 42 2HG2 VAL 42 4.477 8.898 -2.307
291 H ASP 43 H ASP 43 4.870 11.943 0.891
292 HA ASP 43 HA ASP 43 2.894 13.008 2.834
293 HB3 ASP 43 2HB ASP 43 4.959 13.996 3.871
294 H ARG 44 H ARG 44 1.792 14.454 1.131
295 HA ARG 44 HA ARG 44 3.306 16.409 -0.326
296 HB3 ARG 44 2HB ARG 44 1.032 17.810 -0.054
297 HG3 ARG 44 2HG ARG 44 -0.114 16.343 -1.739
298 HD3 ARG 44 2HD ARG 44 2.070 16.421 -3.327
299 HE ARG 44 HE ARG 44 1.257 19.117 -3.039
300 HH11 ARG 44 1HH1 ARG 44 -0.009 15.922 -4.050
301 HH12 ARG 44 2HH1 ARG 44 -1.206 16.637 -5.062
302 HH21 ARG 44 1HH2 ARG 44 -0.321 19.972 -4.476
303 HH22 ARG 44 2HH2 ARG 44 -1.524 18.898 -5.137
304 H ARG 45 H ARG 45 2.835 16.321 3.079
305 HA ARG 45 HA ARG 45 3.019 19.193 3.474
306 HB3 ARG 45 2HB ARG 45 4.163 17.981 5.739
307 HG3 ARG 45 2HG ARG 45 1.273 18.640 5.018
308 HD3 ARG 45 2HD ARG 45 2.589 18.045 7.698
309 HE ARG 45 HE ARG 45 -0.169 18.984 7.614
310 HH11 ARG 45 1HH1 ARG 45 3.214 19.833 8.324
311 HH12 ARG 45 2HH1 ARG 45 2.816 21.255 9.222
312 HH21 ARG 45 1HH2 ARG 45 -0.682 20.793 8.985
313 HH22 ARG 45 2HH2 ARG 45 0.592 21.763 9.621
314 H GLU 46 H GLU 46 5.526 16.552 3.301
315 HA GLU 46 HA GLU 46 7.482 18.809 3.365
316 HB3 GLU 46 2HB GLU 46 9.059 17.530 4.414
317 HG3 GLU 46 2HG GLU 46 6.646 16.421 5.824
318 H GLY 47 H GLY 47 6.385 16.109 1.414
319 HA2 GLY 47 1HA GLY 47 6.835 15.902 -0.890
320 HA3 GLY 47 2HA GLY 47 8.348 16.807 -0.709
321 H THR 48 H THR 48 7.929 14.577 1.892
322 HA THR 48 HA THR 48 9.851 12.670 0.889
323 HB THR 48 HB THR 48 8.730 11.550 3.095
324 HG1 THR 48 1HG THR 48 8.351 13.226 4.590
325 HG21 THR 48 3HG2 THR 48 10.535 12.600 4.414
326 HG22 THR 48 1HG2 THR 48 10.782 13.783 3.127
327 HG23 THR 48 2HG2 THR 48 11.115 12.061 2.828
328 H ALA 49 H ALA 49 9.236 10.379 0.654
329 HA ALA 49 HA ALA 49 6.405 9.792 0.232
330 HB1 ALA 49 1HB ALA 49 7.162 10.359 -2.040
331 HB2 ALA 49 2HB ALA 49 8.610 9.386 -1.849
332 HB3 ALA 49 3HB ALA 49 7.014 8.593 -1.918
333 H ARG 50 H ARG 50 5.992 7.569 0.611
334 HA ARG 50 HA ARG 50 8.285 5.910 1.493
335 HB3 ARG 50 2HB ARG 50 5.617 5.946 2.968
336 HG3 ARG 50 2HG ARG 50 8.453 5.061 3.535
337 HD3 ARG 50 2HD ARG 50 6.518 6.083 5.643
338 HE ARG 50 HE ARG 50 8.159 3.986 6.003
339 HH11 ARG 50 1HH1 ARG 50 8.578 7.352 7.206
340 HH12 ARG 50 2HH1 ARG 50 9.384 6.845 8.640
341 HH21 ARG 50 1HH2 ARG 50 9.256 3.377 7.727
342 HH22 ARG 50 2HH2 ARG 50 9.829 4.437 8.967
343 H LEU 51 H LEU 51 7.709 3.534 1.490
344 HA LEU 51 HA LEU 51 5.469 2.879 -0.310
345 HB3 LEU 51 2HB LEU 51 8.046 1.489 -0.888
346 HG LEU 51 HG LEU 51 5.934 2.857 -2.618
347 HD11 LEU 51 1HD1 LEU 51 8.261 1.089 -3.471
348 HD12 LEU 51 2HD1 LEU 51 8.182 2.860 -3.628
349 HD13 LEU 51 3HD1 LEU 51 7.035 1.849 -4.508
350 HD21 LEU 51 3HD2 LEU 51 5.400 0.623 -3.500
351 HD22 LEU 51 1HD2 LEU 51 5.028 0.704 -1.767
352 HD23 LEU 51 2HD2 LEU 51 6.515 -0.125 -2.351
353 H PHE 52 H PHE 52 4.417 1.205 0.402
354 HA PHE 52 HA PHE 52 5.808 -0.658 2.282
355 HB3 PHE 52 2HB PHE 52 3.725 -0.909 3.451
356 HD1 PHE 52 1HD PHE 52 5.617 0.159 4.841
357 HD2 PHE 52 2HD PHE 52 2.671 2.458 2.693
358 HE1 PHE 52 1HE PHE 52 6.075 2.132 6.295
359 HE2 PHE 52 2HE PHE 52 3.141 4.414 4.144
360 HZ PHE 52 HZ PHE 52 4.833 4.251 5.949
361 H SER 53 H SER 53 5.135 -2.868 2.217
362 HA SER 53 HA SER 53 3.674 -3.858 -0.157
363 HB3 SER 53 2HB SER 53 6.528 -4.567 0.694
364 HG SER 53 HG SER 53 4.971 -5.461 -1.510
365 H GLU 54 H GLU 54 2.604 -5.754 0.369
366 HA GLU 54 HA GLU 54 2.378 -6.351 3.180
367 HB3 GLU 54 2HB GLU 54 0.541 -6.506 1.538
368 HG3 GLU 54 2HG GLU 54 2.112 -7.820 -0.169
369 H ALA 55 H ALA 55 2.696 -8.606 4.059
370 HA ALA 55 HA ALA 55 4.097 -10.594 2.616
371 HB1 ALA 55 1HB ALA 55 6.129 -10.659 4.189
372 HB2 ALA 55 2HB ALA 55 6.139 -9.331 3.016
373 HB3 ALA 55 3HB ALA 55 5.676 -9.005 4.682
374 H THR 56 H THR 56 4.613 -12.462 4.372
375 HA THR 56 HA THR 56 2.740 -12.354 6.638
376 HB THR 56 HB THR 56 2.386 -14.900 6.031
377 HG1 THR 56 1HG THR 56 2.479 -13.757 3.443
378 HG21 THR 56 3HG2 THR 56 0.249 -14.381 4.991
379 HG22 THR 56 1HG2 THR 56 0.768 -12.712 4.669
380 HG23 THR 56 2HG2 THR 56 0.583 -13.292 6.341
381 H ARG 57 H ARG 57 3.496 -13.278 8.436
382 HA ARG 57 HA ARG 57 6.316 -14.034 8.515
383 HB3 ARG 57 2HB ARG 57 5.859 -14.255 10.992
384 HG3 ARG 57 2HG ARG 57 4.778 -11.660 9.835
385 HD3 ARG 57 2HD ARG 57 5.936 -12.473 12.510
386 HE ARG 57 HE ARG 57 6.812 -10.222 11.260
387 HH11 ARG 57 1HH1 ARG 57 4.786 -10.781 14.128
388 HH12 ARG 57 2HH1 ARG 57 5.187 -9.273 14.870
389 HH21 ARG 57 1HH2 ARG 57 7.478 -8.292 12.325
390 HH22 ARG 57 2HH2 ARG 57 6.838 -7.846 13.830
391 H GLY 58 H GLY 58 6.780 -15.936 10.144
392 HA2 GLY 58 1HA GLY 58 6.172 -18.429 9.000
393 HA3 GLY 58 2HA GLY 58 6.869 -18.142 10.597
394 H ASP 59 H ASP 59 3.957 -16.537 10.602
395 HA ASP 59 HA ASP 59 2.438 -18.874 11.505
396 HB3 ASP 59 2HB ASP 59 1.301 -17.149 13.106
397 H GLY 60 H GLY 60 2.613 -17.142 8.891
398 HA2 GLY 60 1HA GLY 60 1.141 -16.407 7.286
399 HA3 GLY 60 2HA GLY 60 -0.184 -17.158 8.174
400 H GLU 61 H GLU 61 1.754 -14.976 9.985
401 HA GLU 61 HA GLU 61 -0.495 -13.215 10.522
402 HB3 GLU 61 2HB GLU 61 2.382 -12.889 11.469
403 HG3 GLU 61 2HG GLU 61 0.015 -11.640 12.312
404 H ARG 62 H ARG 62 -0.936 -11.682 8.902
405 HA ARG 62 HA ARG 62 1.166 -10.956 7.053
406 HB3 ARG 62 2HB ARG 62 -1.736 -10.206 7.324
407 HG3 ARG 62 2HG ARG 62 0.237 -9.298 5.198
408 HD3 ARG 62 2HD ARG 62 -1.958 -8.475 4.080
409 HE ARG 62 HE ARG 62 -0.418 -10.050 2.992
410 HH11 ARG 62 1HH1 ARG 62 -3.458 -11.465 4.174
411 HH12 ARG 62 2HH1 ARG 62 -3.747 -12.391 2.734
412 HH21 ARG 62 1HH2 ARG 62 -0.599 -11.296 1.314
413 HH22 ARG 62 2HH2 ARG 62 -1.931 -12.399 1.030
414 H PHE 63 H PHE 63 1.780 -8.767 6.547
415 HA PHE 63 HA PHE 63 1.385 -6.628 8.468
416 HB3 PHE 63 2HB PHE 63 3.173 -7.765 9.611
417 HD1 PHE 63 1HD PHE 63 3.572 -10.039 8.323
418 HD2 PHE 63 2HD PHE 63 5.848 -6.414 7.570
419 HE1 PHE 63 1HE PHE 63 5.425 -11.357 7.403
420 HE2 PHE 63 2HE PHE 63 7.718 -7.840 6.785
421 HZ PHE 63 HZ PHE 63 7.476 -10.243 6.570
422 H TRP 64 H TRP 64 2.903 -4.740 7.677
423 HA TRP 64 HA TRP 64 3.156 -4.699 4.703
424 HB3 TRP 64 2HB TRP 64 2.797 -2.227 4.964
425 HD1 TRP 64 HD TRP 64 0.001 -3.220 7.184
426 HE1 TRP 64 1HE TRP 64 -2.159 -3.586 5.835
427 HE3 TRP 64 3HE TRP 64 2.008 -3.317 2.498
428 HZ2 TRP 64 2HZ TRP 64 -2.911 -3.686 3.059
429 HZ3 TRP 64 3HZ TRP 64 0.570 -3.689 0.516
430 HH2 TRP 64 HH TRP 64 -1.911 -3.936 0.771
431 H MET 65 H MET 65 5.239 -5.130 4.521
432 HA MET 65 HA MET 65 7.300 -4.004 6.283
433 HB3 MET 65 2HB MET 65 7.448 -6.287 5.546
434 HG3 MET 65 2HG MET 65 7.101 -5.237 2.811
435 HE1 MET 65 3HE MET 65 9.857 -7.245 4.795
436 HE2 MET 65 1HE MET 65 8.588 -8.419 4.334
437 HE3 MET 65 2HE MET 65 10.202 -8.529 3.616
438 H GLN 66 H GLN 66 9.278 -3.222 5.046
439 HA GLN 66 HA GLN 66 8.585 -1.308 2.866
440 HB3 GLN 66 2HB GLN 66 10.244 0.224 3.883
441 HG3 GLN 66 2HG GLN 66 7.994 -0.357 5.859
442 HE21 GLN 66 1HE2 GLN 66 9.327 2.150 3.666
443 HE22 GLN 66 2HE2 GLN 66 9.780 3.152 5.025
444 HA PRO 67 HA PRO 67 11.971 -4.219 1.657
445 HB3 PRO 67 2HB PRO 67 10.496 -5.407 0.319
446 HG3 PRO 67 2HG PRO 67 8.614 -4.323 -0.707
447 HD3 PRO 67 2HD PRO 67 8.497 -3.953 1.628
448 H VAL 68 H VAL 68 10.935 -1.066 0.477
449 HA VAL 68 HA VAL 68 13.712 -0.442 -0.225
450 HB VAL 68 HB VAL 68 12.575 -0.790 -2.353
451 HG11 VAL 68 1HG1 VAL 68 10.538 1.293 -1.478
452 HG12 VAL 68 2HG1 VAL 68 10.704 0.629 -3.111
453 HG13 VAL 68 3HG1 VAL 68 10.232 -0.431 -1.781
454 HG21 VAL 68 3HG2 VAL 68 13.008 1.360 -3.425
455 HG22 VAL 68 1HG2 VAL 68 13.003 2.180 -1.853
456 HG23 VAL 68 2HG2 VAL 68 14.268 0.986 -2.239
457 H ARG 69 H ARG 69 14.480 1.111 0.892
458 HA ARG 69 HA ARG 69 12.687 3.165 1.985
459 HB3 ARG 69 2HB ARG 69 13.067 1.516 3.728
460 HG3 ARG 69 2HG ARG 69 15.707 1.898 4.540
461 HD3 ARG 69 2HD ARG 69 14.806 -0.617 3.085
462 HE ARG 69 HE ARG 69 16.920 0.096 4.999
463 HH11 ARG 69 1HH1 ARG 69 15.112 -2.794 3.983
464 HH12 ARG 69 2HH1 ARG 69 16.537 -3.772 3.858
465 HH21 ARG 69 1HH2 ARG 69 18.548 -1.241 5.303
466 HH22 ARG 69 2HH2 ARG 69 18.528 -2.940 4.850
467 H SER 70 H SER 70 14.465 2.987 -0.353
468 HA SER 70 HA SER 70 16.427 5.125 -0.009
469 HB3 SER 70 2HB SER 70 14.970 4.068 -2.478
470 HG SER 70 HG SER 70 16.545 5.239 -3.580
471 H THR 71 H THR 71 15.807 7.257 -0.093
472 HA THR 71 HA THR 71 12.934 7.901 0.001
473 HB THR 71 HB THR 71 14.015 10.153 0.754
474 HG1 THR 71 1HG THR 71 16.031 10.175 1.148
475 HG21 THR 71 3HG2 THR 71 14.269 7.632 2.454
476 HG22 THR 71 1HG2 THR 71 12.829 8.661 2.284
477 HG23 THR 71 2HG2 THR 71 14.284 9.301 3.062
478 H PHE 72 H PHE 72 14.927 7.456 -2.558
479 HA PHE 72 HA PHE 72 14.561 9.997 -3.949
480 HB3 PHE 72 2HB PHE 72 15.176 8.414 -5.946
481 HD1 PHE 72 1HD PHE 72 16.348 10.628 -6.137
482 HD2 PHE 72 2HD PHE 72 17.670 7.529 -3.433
483 HE1 PHE 72 1HE PHE 72 18.584 11.695 -5.983
484 HE2 PHE 72 2HE PHE 72 19.876 8.629 -3.263
485 HZ PHE 72 HZ PHE 72 20.340 10.714 -4.542
486 H GLU 73 H GLU 73 12.652 10.630 -4.662
487 HA GLU 73 HA GLU 73 10.240 9.510 -5.053
488 HB3 GLU 73 2HB GLU 73 11.849 11.472 -6.733
489 HG3 GLU 73 2HG GLU 73 8.834 11.543 -6.629
490 HA PRO 74 HA PRO 74 10.966 7.752 -9.387
491 HB3 PRO 74 2HB PRO 74 12.588 8.797 -10.632
492 HG3 PRO 74 2HG PRO 74 14.610 9.584 -9.624
493 HD3 PRO 74 2HD PRO 74 12.752 10.484 -8.456
494 H ASP 75 H ASP 75 13.333 6.773 -6.882
495 HA ASP 75 HA ASP 75 13.617 4.021 -7.728
496 HB3 ASP 75 2HB ASP 75 14.203 3.629 -5.292
497 H LEU 76 H LEU 76 11.310 5.892 -5.877
498 HA LEU 76 HA LEU 76 10.102 3.538 -4.664
499 HB3 LEU 76 2HB LEU 76 8.434 5.275 -3.805
500 HG LEU 76 HG LEU 76 11.280 6.096 -3.103
501 HD11 LEU 76 1HD1 LEU 76 9.425 7.352 -2.137
502 HD12 LEU 76 2HD1 LEU 76 10.303 6.462 -0.893
503 HD13 LEU 76 3HD1 LEU 76 8.726 5.860 -1.462
504 HD21 LEU 76 3HD2 LEU 76 11.178 4.294 -1.302
505 HD22 LEU 76 1HD2 LEU 76 11.526 3.757 -2.944
506 HD23 LEU 76 2HD2 LEU 76 9.905 3.530 -2.262
507 H ASP 77 H ASP 77 8.995 6.002 -7.131
508 HA ASP 77 HA ASP 77 6.562 4.459 -7.476
509 HB3 ASP 77 2HB ASP 77 7.639 6.233 -9.668
510 H ALA 78 H ALA 78 9.743 4.314 -9.083
511 HA ALA 78 HA ALA 78 9.021 2.549 -11.171
512 HB1 ALA 78 1HB ALA 78 11.409 1.939 -11.208
513 HB2 ALA 78 2HB ALA 78 11.202 3.697 -11.082
514 HB3 ALA 78 3HB ALA 78 11.659 2.742 -9.647
515 H TYR 79 H TYR 79 9.466 1.899 -7.720
516 HA TYR 79 HA TYR 79 9.921 -0.898 -7.801
517 HB3 TYR 79 2HB TYR 79 8.145 0.523 -5.802
518 HD1 TYR 79 2HD TYR 79 7.055 -1.563 -5.307
519 HD2 TYR 79 1HD TYR 79 11.317 -1.155 -5.024
520 HE1 TYR 79 2HE TYR 79 7.192 -3.806 -4.278
521 HE2 TYR 79 1HE TYR 79 11.472 -3.374 -3.896
522 HH TYR 79 HH TYR 79 8.545 -5.430 -3.450
523 H ALA 80 H ALA 80 6.881 1.016 -7.659
524 HA ALA 80 HA ALA 80 5.148 -1.255 -7.696
525 HB1 ALA 80 1HB ALA 80 4.598 1.681 -8.344
526 HB2 ALA 80 2HB ALA 80 3.372 0.440 -8.011
527 HB3 ALA 80 3HB ALA 80 4.506 0.927 -6.732
528 H GLU 81 H GLU 81 6.662 0.603 -10.327
529 HA GLU 81 HA GLU 81 4.811 -0.455 -12.311
530 HB3 GLU 81 2HB GLU 81 6.651 0.116 -13.900
531 HG3 GLU 81 2HG GLU 81 6.283 2.613 -12.333
532 H ARG 82 H ARG 82 8.067 -1.209 -11.066
533 HA ARG 82 HA ARG 82 8.571 -3.305 -12.857
534 HB3 ARG 82 2HB ARG 82 9.682 -2.795 -10.077
535 HG3 ARG 82 2HG ARG 82 10.943 -4.602 -12.223
536 HD3 ARG 82 2HD ARG 82 11.520 -3.811 -9.402
537 HE ARG 82 HE ARG 82 12.388 -6.418 -10.581
538 HH11 ARG 82 1HH1 ARG 82 12.205 -4.375 -7.679
539 HH12 ARG 82 2HH1 ARG 82 11.920 -5.719 -6.592
540 HH21 ARG 82 1HH2 ARG 82 12.239 -8.215 -9.114
541 HH22 ARG 82 2HH2 ARG 82 12.134 -7.950 -7.439
542 H ALA 83 H ALA 83 7.610 -3.553 -9.400
543 HA ALA 83 HA ALA 83 7.796 -6.294 -9.199
544 HB1 ALA 83 1HB ALA 83 5.774 -4.487 -7.784
545 HB2 ALA 83 2HB ALA 83 6.282 -6.100 -7.243
546 HB3 ALA 83 3HB ALA 83 7.449 -4.758 -7.270
547 H ALA 84 H ALA 84 5.097 -4.410 -10.380
548 HA ALA 84 HA ALA 84 3.135 -6.440 -10.429
549 HB1 ALA 84 1HB ALA 84 1.887 -4.758 -11.701
550 HB2 ALA 84 2HB ALA 84 2.684 -4.013 -10.303
551 HB3 ALA 84 3HB ALA 84 3.358 -3.787 -11.936
552 H ARG 85 H ARG 85 5.851 -6.340 -12.386
553 HA ARG 85 HA ARG 85 4.515 -7.596 -14.758
554 HB3 ARG 85 2HB ARG 85 6.746 -7.120 -15.845
555 HG3 ARG 85 2HG ARG 85 5.221 -4.741 -14.717
556 HD3 ARG 85 2HD ARG 85 7.521 -4.936 -16.707
557 HE ARG 85 HE ARG 85 6.329 -2.356 -16.070
558 HH11 ARG 85 1HH1 ARG 85 6.419 -4.996 -18.557
559 HH12 ARG 85 2HH1 ARG 85 5.270 -4.136 -19.523
560 HH21 ARG 85 1HH2 ARG 85 4.932 -1.274 -17.678
561 HH22 ARG 85 2HH2 ARG 85 4.844 -1.930 -19.274
562 H ILE 86 H ILE 86 6.050 -8.453 -11.950
563 HA ILE 86 HA ILE 86 6.742 -11.104 -13.141
564 HB ILE 86 HB ILE 86 8.168 -10.075 -10.676
565 HG13 ILE 86 2HG1 ILE 86 8.877 -9.506 -13.562
566 HG21 ILE 86 1HG2 ILE 86 9.796 -11.832 -11.291
567 HG22 ILE 86 2HG2 ILE 86 8.180 -12.522 -11.160
568 HG23 ILE 86 3HG2 ILE 86 8.864 -12.203 -12.758
569 HD11 ILE 86 3HD1 ILE 86 9.572 -8.051 -10.963
570 HD12 ILE 86 1HD1 ILE 86 9.918 -7.492 -12.614
571 HD13 ILE 86 2HD1 ILE 86 8.245 -7.600 -12.047
572 H ASP 87 H ASP 87 5.235 -9.251 -10.491
573 HA ASP 87 HA ASP 87 4.434 -11.408 -8.883
574 HB3 ASP 87 2HB ASP 87 2.303 -9.680 -8.726
575 HA PRO 88 HA PRO 88 1.374 -13.398 -11.451
576 HB3 PRO 88 2HB PRO 88 1.517 -15.214 -10.061
577 HG3 PRO 88 2HG PRO 88 1.824 -14.953 -7.706
578 HD3 PRO 88 2HD PRO 88 3.553 -13.740 -8.736
579 H ASP 89 H ASP 89 0.496 -11.312 -8.611
580 HA ASP 89 HA ASP 89 -1.309 -9.789 -9.940
581 HB3 ASP 89 2HB ASP 89 -3.099 -10.884 -8.013
582 H ILE 90 H ILE 90 -0.508 -8.129 -8.997
583 HA ILE 90 HA ILE 90 -0.545 -7.915 -6.024
584 HB ILE 90 HB ILE 90 1.668 -8.061 -6.847
585 HG13 ILE 90 2HG1 ILE 90 1.111 -6.633 -4.839
586 HG21 ILE 90 1HG2 ILE 90 1.249 -5.422 -8.320
587 HG22 ILE 90 2HG2 ILE 90 2.749 -6.366 -8.253
588 HG23 ILE 90 3HG2 ILE 90 1.347 -7.008 -9.114
589 HD11 ILE 90 3HD1 ILE 90 3.395 -7.466 -5.391
590 HD12 ILE 90 1HD1 ILE 90 3.695 -5.976 -6.318
591 HD13 ILE 90 2HD1 ILE 90 3.415 -5.920 -4.558
592 H TRP 91 H TRP 91 -1.608 -6.257 -5.156
593 HA TRP 91 HA TRP 91 -3.206 -4.450 -6.893
594 HB3 TRP 91 2HB TRP 91 -3.837 -3.624 -4.373
595 HD1 TRP 91 HD TRP 91 -4.083 -7.420 -5.208
596 HE1 TRP 91 1HE TRP 91 -6.242 -8.237 -4.865
597 HE3 TRP 91 3HE TRP 91 -6.298 -2.912 -4.937
598 HZ2 TRP 91 2HZ TRP 91 -9.090 -6.984 -4.845
599 HZ3 TRP 91 3HZ TRP 91 -8.797 -2.695 -4.959
600 HH2 TRP 91 HH TRP 91 -10.186 -4.745 -4.895
601 H VAL 92 H VAL 92 -3.132 -2.070 -6.433
602 HA VAL 92 HA VAL 92 -0.526 -1.093 -5.374
603 HB VAL 92 HB VAL 92 -1.654 -0.420 -8.133
604 HG11 VAL 92 1HG1 VAL 92 0.861 0.583 -6.695
605 HG12 VAL 92 2HG1 VAL 92 0.385 0.968 -8.370
606 HG13 VAL 92 3HG1 VAL 92 -0.591 1.539 -7.011
607 HG21 VAL 92 3HG2 VAL 92 -0.471 -2.591 -8.163
608 HG22 VAL 92 1HG2 VAL 92 0.461 -1.352 -9.000
609 HG23 VAL 92 2HG2 VAL 92 0.933 -1.862 -7.360
610 H VAL 93 H VAL 93 -1.389 0.024 -3.645
611 HA VAL 93 HA VAL 93 -3.844 1.652 -4.041
612 HB VAL 93 HB VAL 93 -2.213 1.323 -1.504
613 HG11 VAL 93 1HG1 VAL 93 -3.967 3.186 -1.925
614 HG12 VAL 93 2HG1 VAL 93 -5.182 1.934 -1.743
615 HG13 VAL 93 3HG1 VAL 93 -4.039 2.293 -0.415
616 HG21 VAL 93 3HG2 VAL 93 -3.797 -0.309 -0.671
617 HG22 VAL 93 1HG2 VAL 93 -4.704 -0.306 -2.170
618 HG23 VAL 93 2HG2 VAL 93 -3.039 -0.962 -2.118
619 H GLU 94 H GLU 94 -3.670 3.814 -4.324
620 HA GLU 94 HA GLU 94 -0.996 5.112 -4.322
621 HB3 GLU 94 2HB GLU 94 -2.326 6.510 -6.128
622 HG3 GLU 94 2HG GLU 94 -1.941 4.663 -7.901
623 H ILE 95 H ILE 95 -0.955 6.360 -2.495
624 HA ILE 95 HA ILE 95 -3.437 7.793 -1.682
625 HB ILE 95 HB ILE 95 -1.325 6.656 0.206
626 HG13 ILE 95 2HG1 ILE 95 -3.000 5.007 0.931
627 HG21 ILE 95 1HG2 ILE 95 -3.007 7.127 1.977
628 HG22 ILE 95 2HG2 ILE 95 -2.381 8.559 1.171
629 HG23 ILE 95 3HG2 ILE 95 -4.002 7.988 0.776
630 HD11 ILE 95 3HD1 ILE 95 -4.990 4.545 -0.192
631 HD12 ILE 95 1HD1 ILE 95 -4.962 6.312 -0.374
632 HD13 ILE 95 2HD1 ILE 95 -4.448 5.283 -1.701
633 H GLU 96 H GLU 96 -3.038 9.813 -2.425
634 HA GLU 96 HA GLU 96 -0.394 11.087 -1.892
635 HB3 GLU 96 2HB GLU 96 -1.414 13.008 -3.161
636 HG3 GLU 96 2HG GLU 96 -1.297 10.407 -4.724
637 H ASP 97 H ASP 97 -0.686 11.019 0.403
638 HA ASP 97 HA ASP 97 -2.902 12.649 1.537
639 HB3 ASP 97 2HB ASP 97 -0.749 10.989 2.914
640 H ARG 98 H ARG 98 -2.170 14.165 3.327
641 HA ARG 98 HA ARG 98 0.198 15.768 2.445
642 HB3 ARG 98 2HB ARG 98 -0.601 17.375 4.139
643 HG3 ARG 98 2HG ARG 98 -2.967 16.758 2.361
644 HD3 ARG 98 2HD ARG 98 -2.778 18.901 3.662
645 HE ARG 98 HE ARG 98 -0.791 19.969 3.566
646 HH11 ARG 98 1HH1 ARG 98 -1.644 19.121 0.173
647 HH12 ARG 98 2HH1 ARG 98 -0.361 20.105 -0.451
648 HH21 ARG 98 1HH2 ARG 98 0.933 21.162 2.635
649 HH22 ARG 98 2HH2 ARG 98 1.252 21.057 0.953
650 H ASP 99 H ASP 99 -0.956 14.112 5.397
651 HA ASP 99 HA ASP 99 1.618 14.819 6.648
652 HB3 ASP 99 2HB ASP 99 -0.622 13.412 8.080
653 H GLY 100 H GLY 100 1.138 12.608 4.531
654 HA2 GLY 100 1HA GLY 100 2.427 10.759 4.033
655 HA3 GLY 100 2HA GLY 100 3.070 10.809 5.683
656 H ARG 101 H ARG 101 -0.444 10.575 5.164
657 HA ARG 101 HA ARG 101 -0.335 8.276 6.954
658 HB3 ARG 101 2HB ARG 101 -2.844 8.221 6.645
659 HG3 ARG 101 2HG ARG 101 -1.763 10.960 7.377
660 HD3 ARG 101 2HD ARG 101 -4.004 9.229 8.533
661 HE ARG 101 HE ARG 101 -3.567 12.044 9.290
662 HH11 ARG 101 1HH1 ARG 101 -3.091 8.665 10.215
663 HH12 ARG 101 2HH1 ARG 101 -2.066 8.976 11.564
664 HH21 ARG 101 1HH2 ARG 101 -2.290 12.527 11.067
665 HH22 ARG 101 2HH2 ARG 101 -1.410 11.294 11.890
666 H HIS 102 H HIS 102 -0.959 6.247 6.630
667 HA HIS 102 HA HIS 102 -1.105 5.222 3.847
668 HB3 HIS 102 2HB HIS 102 0.724 4.281 5.036
669 HD1 HIS 102 1HD HIS 102 -1.482 2.235 7.413
670 HD2 HIS 102 2HD HIS 102 1.225 5.465 7.428
671 HE1 HIS 102 1HE HIS 102 -1.070 2.827 9.852
672 H PHE 103 H PHE 103 -2.998 5.694 6.808
673 HA PHE 103 HA PHE 103 -5.097 5.204 7.388
674 HB3 PHE 103 2HB PHE 103 -6.713 5.205 5.275
675 HD1 PHE 103 1HD PHE 103 -7.339 6.761 7.331
676 HD2 PHE 103 2HD PHE 103 -4.475 7.858 4.275
677 HE1 PHE 103 1HE PHE 103 -7.747 9.162 7.776
678 HE2 PHE 103 2HE PHE 103 -4.970 10.222 4.672
679 HZ PHE 103 HZ PHE 103 -6.614 10.896 6.419
680 H LEU 104 H LEU 104 -3.340 2.812 6.365
681 HA LEU 104 HA LEU 104 -5.052 0.571 5.947
682 HB3 LEU 104 2HB LEU 104 -3.040 -0.768 6.591
683 HG LEU 104 HG LEU 104 -2.380 1.666 4.909
684 HD11 LEU 104 1HD1 LEU 104 -0.422 0.494 4.068
685 HD12 LEU 104 2HD1 LEU 104 -0.725 -0.837 5.182
686 HD13 LEU 104 3HD1 LEU 104 -0.292 0.753 5.816
687 HD21 LEU 104 3HD2 LEU 104 -2.928 -1.172 3.989
688 HD22 LEU 104 1HD2 LEU 104 -2.800 0.305 3.004
689 HD23 LEU 104 2HD2 LEU 104 -4.174 0.083 4.064
690 H THR 105 H THR 105 -5.202 -1.319 7.547
691 HA THR 105 HA THR 105 -5.802 -0.299 10.297
692 HB THR 105 HB THR 105 -7.757 -1.087 9.036
693 HG1 THR 105 1HG THR 105 -6.935 -2.631 11.250
694 HG21 THR 105 3HG2 THR 105 -8.213 -3.397 8.584
695 HG22 THR 105 1HG2 THR 105 -6.664 -3.918 9.264
696 HG23 THR 105 2HG2 THR 105 -6.714 -3.001 7.754
697 H GLU 106 H GLU 106 -3.381 -1.885 8.685
698 HA GLU 106 HA GLU 106 -3.043 -4.099 10.604
699 HB3 GLU 106 2HB GLU 106 -1.701 -4.941 8.549
700 HG3 GLU 106 2HG GLU 106 -4.654 -4.254 8.331
701 HA PRO 107 HA PRO 107 0.902 -2.595 11.960
702 HB3 PRO 107 2HB PRO 107 1.253 -4.491 13.190
703 HG3 PRO 107 2HG PRO 107 0.506 -6.622 12.403
704 HD3 PRO 107 2HD PRO 107 -1.360 -5.181 12.202
705 H VAL 108 H VAL 108 2.219 -1.366 10.838
706 HA VAL 108 HA VAL 108 3.542 -2.363 8.416
707 HB VAL 108 HB VAL 108 1.974 -0.800 7.650
708 HG11 VAL 108 1HG1 VAL 108 1.673 1.484 8.514
709 HG12 VAL 108 2HG1 VAL 108 1.053 0.178 9.516
710 HG13 VAL 108 3HG1 VAL 108 2.588 0.983 9.964
711 HG21 VAL 108 3HG2 VAL 108 4.498 0.884 8.034
712 HG22 VAL 108 1HG2 VAL 108 4.304 -0.377 6.815
713 HG23 VAL 108 2HG2 VAL 108 3.256 1.048 6.778
714 H GLU 109 H GLU 109 5.737 -2.044 8.214
715 HA GLU 109 HA GLU 109 7.127 -1.753 10.765
716 HB3 GLU 109 2HB GLU 109 9.042 -2.336 8.816
717 HG3 GLU 109 2HG GLU 109 8.434 -4.764 9.172
718 H SER 110 H SER 110 9.559 -0.872 10.219
719 HA SER 110 HA SER 110 9.577 1.653 8.747
720 HB3 SER 110 2HB SER 110 11.411 1.942 10.908
721 HG SER 110 HG SER 110 8.836 3.142 10.563
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.075 -16.490 13.790
2 HA2 GLY 1 1HA GLY 1 -8.277 -14.835 13.604
3 HA3 GLY 1 2HA GLY 1 -7.903 -15.526 12.014
4 H MET 2 H MET 2 -8.965 -14.676 10.242
5 HA MET 2 HA MET 2 -11.645 -13.531 10.491
6 HB3 MET 2 2HB MET 2 -10.384 -11.555 11.057
7 HG3 MET 2 2HG MET 2 -8.765 -10.660 9.227
8 HE1 MET 2 3HE MET 2 -7.207 -9.511 10.731
9 HE2 MET 2 1HE MET 2 -8.411 -9.972 11.958
10 HE3 MET 2 2HE MET 2 -6.674 -10.172 12.288
11 H LEU 3 H LEU 3 -12.387 -12.786 8.204
12 HA LEU 3 HA LEU 3 -11.281 -14.650 6.183
13 HB3 LEU 3 2HB LEU 3 -14.262 -14.331 6.519
14 HG LEU 3 HG LEU 3 -14.289 -16.790 6.296
15 HD11 LEU 3 1HD1 LEU 3 -12.799 -15.560 3.963
16 HD12 LEU 3 2HD1 LEU 3 -14.546 -15.406 4.261
17 HD13 LEU 3 3HD1 LEU 3 -13.837 -16.994 3.941
18 HD21 LEU 3 3HD2 LEU 3 -11.992 -17.193 7.211
19 HD22 LEU 3 1HD2 LEU 3 -11.320 -16.685 5.642
20 HD23 LEU 3 2HD2 LEU 3 -12.375 -18.103 5.742
21 H LEU 4 H LEU 4 -10.651 -12.046 6.255
22 HA LEU 4 HA LEU 4 -12.244 -10.415 4.415
23 HB3 LEU 4 2HB LEU 4 -9.974 -9.153 4.173
24 HG LEU 4 HG LEU 4 -9.991 -8.160 6.407
25 HD11 LEU 4 1HD1 LEU 4 -11.398 -7.290 4.686
26 HD12 LEU 4 2HD1 LEU 4 -12.164 -7.104 6.266
27 HD13 LEU 4 3HD1 LEU 4 -12.732 -8.377 5.167
28 HD21 LEU 4 3HD2 LEU 4 -10.608 -10.119 7.733
29 HD22 LEU 4 1HD2 LEU 4 -12.289 -10.000 7.133
30 HD23 LEU 4 2HD2 LEU 4 -11.591 -8.696 8.108
31 H SER 5 H SER 5 -11.265 -9.624 2.262
32 HA SER 5 HA SER 5 -9.698 -11.673 0.823
33 HB3 SER 5 2HB SER 5 -10.907 -11.358 -1.195
34 HG SER 5 HG SER 5 -12.355 -12.206 0.936
35 H THR 6 H THR 6 -8.538 -10.615 -1.098
36 HA THR 6 HA THR 6 -7.269 -8.282 -0.494
37 HB THR 6 HB THR 6 -7.674 -9.453 -3.265
38 HG1 THR 6 1HG THR 6 -5.420 -10.211 -2.182
39 HG21 THR 6 3HG2 THR 6 -5.459 -7.882 -1.913
40 HG22 THR 6 1HG2 THR 6 -6.572 -7.184 -3.106
41 HG23 THR 6 2HG2 THR 6 -5.427 -8.456 -3.591
42 H ASP 7 H ASP 7 -10.098 -8.588 -2.690
43 HA ASP 7 HA ASP 7 -10.293 -5.874 -3.410
44 HB3 ASP 7 2HB ASP 7 -12.498 -7.913 -2.968
45 H ILE 8 H ILE 8 -11.304 -7.436 -0.392
46 HA ILE 8 HA ILE 8 -13.070 -5.395 0.503
47 HB ILE 8 HB ILE 8 -11.583 -7.380 2.222
48 HG13 ILE 8 2HG1 ILE 8 -13.545 -8.737 2.129
49 HG21 ILE 8 1HG2 ILE 8 -12.486 -5.620 3.584
50 HG22 ILE 8 2HG2 ILE 8 -13.958 -5.506 2.604
51 HG23 ILE 8 3HG2 ILE 8 -13.704 -6.906 3.659
52 HD11 ILE 8 3HD1 ILE 8 -15.154 -8.608 0.292
53 HD12 ILE 8 1HD1 ILE 8 -15.354 -7.280 1.447
54 HD13 ILE 8 2HD1 ILE 8 -14.559 -6.992 -0.127
55 H TRP 9 H TRP 9 -9.589 -6.097 1.329
56 HA TRP 9 HA TRP 9 -9.417 -3.935 3.203
57 HB3 TRP 9 2HB TRP 9 -6.994 -4.093 2.951
58 HD1 TRP 9 HD TRP 9 -8.668 -5.550 5.105
59 HE1 TRP 9 1HE TRP 9 -8.078 -7.957 5.856
60 HE3 TRP 9 3HE TRP 9 -6.086 -7.117 0.986
61 HZ2 TRP 9 2HZ TRP 9 -7.325 -10.430 4.477
62 HZ3 TRP 9 3HZ TRP 9 -5.609 -9.546 0.650
63 HH2 TRP 9 HH TRP 9 -6.391 -11.193 2.319
64 H VAL 10 H VAL 10 -8.684 -4.132 -0.344
65 HA VAL 10 HA VAL 10 -7.648 -1.478 -0.476
66 HB VAL 10 HB VAL 10 -8.997 -3.170 -2.626
67 HG11 VAL 10 1HG1 VAL 10 -8.975 -0.804 -3.289
68 HG12 VAL 10 2HG1 VAL 10 -7.269 -0.657 -2.814
69 HG13 VAL 10 3HG1 VAL 10 -7.736 -1.675 -4.186
70 HG21 VAL 10 3HG2 VAL 10 -6.099 -2.833 -1.718
71 HG22 VAL 10 1HG2 VAL 10 -7.043 -4.327 -1.753
72 HG23 VAL 10 2HG2 VAL 10 -6.549 -3.575 -3.260
73 H ALA 11 H ALA 11 -11.015 -2.758 -0.985
74 HA ALA 11 HA ALA 11 -12.212 -0.310 -1.512
75 HB1 ALA 11 1HB ALA 11 -13.276 -2.552 -1.711
76 HB2 ALA 11 2HB ALA 11 -13.371 -2.684 0.050
77 HB3 ALA 11 3HB ALA 11 -14.294 -1.428 -0.794
78 H ALA 12 H ALA 12 -11.556 -1.833 1.635
79 HA ALA 12 HA ALA 12 -12.864 0.111 3.273
80 HB1 ALA 12 1HB ALA 12 -11.547 -0.925 5.117
81 HB2 ALA 12 2HB ALA 12 -12.308 -2.159 4.108
82 HB3 ALA 12 3HB ALA 12 -10.580 -1.816 3.933
83 H LEU 13 H LEU 13 -9.390 -0.386 2.605
84 HA LEU 13 HA LEU 13 -8.313 1.820 3.873
85 HB3 LEU 13 2HB LEU 13 -7.455 0.229 1.450
86 HG LEU 13 HG LEU 13 -6.354 2.447 1.295
87 HD11 LEU 13 1HD1 LEU 13 -5.343 1.833 4.126
88 HD12 LEU 13 2HD1 LEU 13 -6.384 3.196 3.655
89 HD13 LEU 13 3HD1 LEU 13 -4.723 3.124 3.074
90 HD21 LEU 13 3HD2 LEU 13 -5.180 0.343 0.676
91 HD22 LEU 13 1HD2 LEU 13 -4.558 0.195 2.329
92 HD23 LEU 13 2HD2 LEU 13 -4.051 1.550 1.298
93 H ILE 14 H ILE 14 -9.440 1.668 0.420
94 HA ILE 14 HA ILE 14 -8.867 4.420 -0.088
95 HB ILE 14 HB ILE 14 -10.714 2.386 -1.381
96 HG13 ILE 14 2HG1 ILE 14 -8.977 2.316 -3.129
97 HG21 ILE 14 1HG2 ILE 14 -10.684 3.896 -3.432
98 HG22 ILE 14 2HG2 ILE 14 -11.682 4.457 -2.102
99 HG23 ILE 14 3HG2 ILE 14 -10.118 5.211 -2.381
100 HD11 ILE 14 3HD1 ILE 14 -7.987 4.678 -2.476
101 HD12 ILE 14 1HD1 ILE 14 -7.075 3.761 -1.265
102 HD13 ILE 14 2HD1 ILE 14 -6.885 3.400 -2.988
103 H ARG 15 H ARG 15 -11.650 2.903 1.393
104 HA ARG 15 HA ARG 15 -13.304 5.341 1.423
105 HB3 ARG 15 2HB ARG 15 -14.327 4.275 3.567
106 HG3 ARG 15 2HG ARG 15 -15.492 2.408 2.263
107 HD3 ARG 15 2HD ARG 15 -15.792 5.273 2.101
108 HE ARG 15 HE ARG 15 -15.799 4.090 -0.487
109 HH11 ARG 15 1HH1 ARG 15 -17.622 6.472 1.505
110 HH12 ARG 15 2HH1 ARG 15 -17.942 7.437 0.108
111 HH21 ARG 15 1HH2 ARG 15 -16.555 5.294 -2.243
112 HH22 ARG 15 2HH2 ARG 15 -17.288 6.857 -1.970
113 H ARG 16 H ARG 16 -11.269 3.853 4.019
114 HA ARG 16 HA ARG 16 -11.734 6.076 5.746
115 HB3 ARG 16 2HB ARG 16 -11.285 4.217 6.941
116 HG3 ARG 16 2HG ARG 16 -8.594 3.424 6.136
117 HD3 ARG 16 2HD ARG 16 -9.923 1.900 7.455
118 HE ARG 16 HE ARG 16 -11.900 2.031 5.221
119 HH11 ARG 16 1HH1 ARG 16 -11.114 0.763 8.397
120 HH12 ARG 16 2HH1 ARG 16 -12.732 0.550 8.938
121 HH21 ARG 16 1HH2 ARG 16 -14.149 1.486 5.768
122 HH22 ARG 16 2HH2 ARG 16 -14.437 0.634 7.218
123 H ALA 17 H ALA 17 -9.101 5.460 3.463
124 HA ALA 17 HA ALA 17 -7.396 7.606 4.235
125 HB1 ALA 17 1HB ALA 17 -7.916 6.407 1.473
126 HB2 ALA 17 2HB ALA 17 -6.554 7.457 1.920
127 HB3 ALA 17 3HB ALA 17 -6.691 5.846 2.648
128 H GLU 18 H GLU 18 -9.867 7.543 1.565
129 HA GLU 18 HA GLU 18 -9.587 10.287 0.976
130 HB3 GLU 18 2HB GLU 18 -11.984 9.977 0.101
131 HG3 GLU 18 2HG GLU 18 -10.077 7.962 -1.081
132 H LEU 19 H LEU 19 -11.587 8.647 3.366
133 HA LEU 19 HA LEU 19 -13.311 10.699 4.193
134 HB3 LEU 19 2HB LEU 19 -12.390 9.227 6.479
135 HG LEU 19 HG LEU 19 -14.679 9.753 5.966
136 HD11 LEU 19 1HD1 LEU 19 -16.025 8.336 4.409
137 HD12 LEU 19 2HD1 LEU 19 -14.536 7.542 3.851
138 HD13 LEU 19 3HD1 LEU 19 -14.812 9.259 3.530
139 HD21 LEU 19 3HD2 LEU 19 -14.190 7.964 7.575
140 HD22 LEU 19 1HD2 LEU 19 -14.015 6.796 6.262
141 HD23 LEU 19 2HD2 LEU 19 -15.614 7.484 6.628
142 H GLY 20 H GLY 20 -9.926 10.283 4.869
143 HA2 GLY 20 1HA GLY 20 -9.649 12.193 7.025
144 HA3 GLY 20 2HA GLY 20 -8.373 11.617 5.949
145 H GLY 21 H GLY 21 -10.044 12.532 3.559
146 HA2 GLY 21 1HA GLY 21 -9.935 14.415 2.163
147 HA3 GLY 21 2HA GLY 21 -9.354 15.415 3.515
148 H ALA 22 H ALA 22 -8.573 12.699 1.389
149 HA ALA 22 HA ALA 22 -6.127 13.827 0.618
150 HB1 ALA 22 1HB ALA 22 -4.780 11.676 0.973
151 HB2 ALA 22 2HB ALA 22 -5.111 12.624 2.420
152 HB3 ALA 22 3HB ALA 22 -6.046 11.143 2.097
153 H PHE 23 H PHE 23 -5.361 12.387 -1.285
154 HA PHE 23 HA PHE 23 -7.854 11.565 -2.697
155 HB3 PHE 23 2HB PHE 23 -5.181 12.349 -3.888
156 HD1 PHE 23 2HD PHE 23 -8.861 13.069 -4.378
157 HD2 PHE 23 1HD PHE 23 -5.178 11.586 -6.094
158 HE1 PHE 23 2HE PHE 23 -9.891 13.098 -6.632
159 HE2 PHE 23 1HE PHE 23 -6.203 11.688 -8.352
160 HZ PHE 23 HZ PHE 23 -8.523 12.478 -8.625
161 H ALA 24 H ALA 24 -8.105 9.336 -2.600
162 HA ALA 24 HA ALA 24 -5.658 7.657 -2.906
163 HB1 ALA 24 1HB ALA 24 -6.597 6.118 -1.299
164 HB2 ALA 24 2HB ALA 24 -6.466 7.727 -0.560
165 HB3 ALA 24 3HB ALA 24 -8.044 7.112 -1.105
166 H THR 25 H THR 25 -5.874 5.800 -4.231
167 HA THR 25 HA THR 25 -8.418 4.807 -5.003
168 HB THR 25 HB THR 25 -8.265 6.932 -6.377
169 HG1 THR 25 1HG THR 25 -9.464 6.007 -7.732
170 HG21 THR 25 3HG2 THR 25 -5.824 6.585 -6.971
171 HG22 THR 25 1HG2 THR 25 -6.914 6.997 -8.317
172 HG23 THR 25 2HG2 THR 25 -6.377 5.324 -8.113
173 H VAL 26 H VAL 26 -8.034 3.248 -7.031
174 HA VAL 26 HA VAL 26 -5.680 1.591 -6.402
175 HB VAL 26 HB VAL 26 -7.570 0.714 -5.404
176 HG11 VAL 26 1HG1 VAL 26 -9.179 0.909 -7.962
177 HG12 VAL 26 2HG1 VAL 26 -9.681 0.080 -6.481
178 HG13 VAL 26 3HG1 VAL 26 -9.439 1.824 -6.457
179 HG21 VAL 26 3HG2 VAL 26 -7.150 -0.837 -7.998
180 HG22 VAL 26 1HG2 VAL 26 -6.178 -0.973 -6.517
181 HG23 VAL 26 2HG2 VAL 26 -7.897 -1.454 -6.537
182 H ALA 27 H ALA 27 -4.262 2.082 -8.081
183 HA ALA 27 HA ALA 27 -5.234 2.637 -10.765
184 HB1 ALA 27 1HB ALA 27 -2.452 2.366 -9.526
185 HB2 ALA 27 2HB ALA 27 -2.782 2.902 -11.194
186 HB3 ALA 27 3HB ALA 27 -3.345 3.865 -9.821
187 H ARG 28 H ARG 28 -4.502 -0.273 -9.087
188 HA ARG 28 HA ARG 28 -4.314 -1.737 -11.645
189 HB3 ARG 28 2HB ARG 28 -2.449 -2.466 -9.419
190 HG3 ARG 28 2HG ARG 28 -2.823 -3.431 -12.140
191 HD3 ARG 28 2HD ARG 28 -0.147 -2.194 -11.371
192 HE ARG 28 HE ARG 28 -0.464 -4.602 -12.841
193 HH11 ARG 28 1HH1 ARG 28 1.400 -1.497 -12.980
194 HH12 ARG 28 2HH1 ARG 28 2.582 -2.232 -14.016
195 HH21 ARG 28 1HH2 ARG 28 1.133 -5.398 -14.100
196 HH22 ARG 28 2HH2 ARG 28 2.436 -4.433 -14.741
197 H LYS 29 H LYS 29 -5.723 -3.286 -11.669
198 HA LYS 29 HA LYS 29 -6.942 -4.268 -9.191
199 HB3 LYS 29 2HB LYS 29 -7.310 -4.982 -12.156
200 HG3 LYS 29 2HG LYS 29 -8.037 -6.873 -10.811
201 HD3 LYS 29 2HD LYS 29 -8.486 -5.606 -8.664
202 HE3 LYS 29 2HE LYS 29 -9.951 -3.843 -9.945
203 HZ1 LYS 29 3HZ LYS 29 -11.589 -5.488 -10.795
204 HZ2 LYS 29 1HZ LYS 29 -12.270 -4.363 -9.837
205 HZ3 LYS 29 2HZ LYS 29 -11.985 -5.850 -9.212
206 H GLY 30 H GLY 30 -6.112 -6.079 -8.175
207 HA2 GLY 30 1HA GLY 30 -4.443 -7.960 -9.750
208 HA3 GLY 30 2HA GLY 30 -4.277 -7.710 -8.013
209 H ASP 31 H ASP 31 -4.790 -10.129 -8.079
210 HA ASP 31 HA ASP 31 -7.397 -11.068 -8.809
211 HB3 ASP 31 2HB ASP 31 -5.898 -12.280 -6.524
212 H ALA 32 H ALA 32 -9.362 -11.014 -7.614
213 HA ALA 32 HA ALA 32 -9.544 -9.210 -5.387
214 HB1 ALA 32 1HB ALA 32 -11.396 -9.537 -6.973
215 HB2 ALA 32 2HB ALA 32 -11.572 -11.227 -6.425
216 HB3 ALA 32 3HB ALA 32 -11.881 -9.879 -5.303
217 H ARG 33 H ARG 33 -8.825 -12.623 -5.472
218 HA ARG 33 HA ARG 33 -9.253 -12.776 -2.510
219 HB3 ARG 33 2HB ARG 33 -9.528 -15.268 -3.058
220 HG3 ARG 33 2HG ARG 33 -11.703 -13.521 -4.265
221 HD3 ARG 33 2HD ARG 33 -11.556 -16.137 -2.752
222 HE ARG 33 HE ARG 33 -14.017 -14.581 -3.346
223 HH11 ARG 33 1HH1 ARG 33 -12.321 -17.026 -1.314
224 HH12 ARG 33 2HH1 ARG 33 -13.635 -17.194 -0.214
225 HH21 ARG 33 1HH2 ARG 33 -15.767 -14.852 -1.814
226 HH22 ARG 33 2HH2 ARG 33 -15.587 -15.956 -0.502
227 H ALA 34 H ALA 34 -7.006 -13.360 -5.155
228 HA ALA 34 HA ALA 34 -5.042 -14.372 -3.175
229 HB1 ALA 34 1HB ALA 34 -4.124 -15.811 -4.908
230 HB2 ALA 34 2HB ALA 34 -5.866 -16.099 -4.823
231 HB3 ALA 34 3HB ALA 34 -5.198 -15.096 -6.129
232 H GLY 35 H GLY 35 -5.585 -11.544 -4.351
233 HA2 GLY 35 1HA GLY 35 -3.099 -11.151 -5.837
234 HA3 GLY 35 2HA GLY 35 -4.368 -9.963 -5.593
235 H ALA 36 H ALA 36 -1.491 -9.945 -5.193
236 HA ALA 36 HA ALA 36 -1.069 -9.444 -2.279
237 HB1 ALA 36 1HB ALA 36 0.884 -10.285 -3.527
238 HB2 ALA 36 2HB ALA 36 0.771 -8.921 -4.668
239 HB3 ALA 36 3HB ALA 36 1.186 -8.635 -2.968
240 H VAL 37 H VAL 37 -0.386 -7.116 -1.638
241 HA VAL 37 HA VAL 37 -1.647 -5.064 -3.400
242 HB VAL 37 HB VAL 37 -2.127 -5.318 -0.403
243 HG11 VAL 37 1HG1 VAL 37 -3.867 -3.552 -0.805
244 HG12 VAL 37 2HG1 VAL 37 -2.233 -2.983 -1.134
245 HG13 VAL 37 3HG1 VAL 37 -3.301 -3.419 -2.479
246 HG21 VAL 37 3HG2 VAL 37 -3.389 -7.072 -1.447
247 HG22 VAL 37 1HG2 VAL 37 -4.500 -5.785 -0.975
248 HG23 VAL 37 2HG2 VAL 37 -4.023 -5.958 -2.678
249 H LEU 38 H LEU 38 -0.418 -3.233 -3.610
250 HA LEU 38 HA LEU 38 1.633 -2.596 -1.579
251 HB3 LEU 38 2HB LEU 38 1.918 -0.703 -3.426
252 HG LEU 38 HG LEU 38 3.734 -2.084 -3.186
253 HD11 LEU 38 1HD1 LEU 38 2.900 -4.089 -2.453
254 HD12 LEU 38 2HD1 LEU 38 3.882 -4.459 -3.885
255 HD13 LEU 38 3HD1 LEU 38 2.107 -4.419 -4.007
256 HD21 LEU 38 3HD2 LEU 38 3.567 -1.147 -5.422
257 HD22 LEU 38 1HD2 LEU 38 2.645 -2.564 -5.961
258 HD23 LEU 38 2HD2 LEU 38 4.348 -2.748 -5.516
259 H VAL 39 H VAL 39 1.538 -0.693 -0.530
260 HA VAL 39 HA VAL 39 -0.834 1.044 -0.917
261 HB VAL 39 HB VAL 39 0.187 0.016 1.770
262 HG11 VAL 39 1HG1 VAL 39 -1.672 1.469 2.689
263 HG12 VAL 39 2HG1 VAL 39 -0.335 2.377 1.986
264 HG13 VAL 39 3HG1 VAL 39 -1.838 2.185 1.076
265 HG21 VAL 39 3HG2 VAL 39 -1.280 -1.583 0.682
266 HG22 VAL 39 1HG2 VAL 39 -2.189 -0.795 1.966
267 HG23 VAL 39 2HG2 VAL 39 -2.454 -0.314 0.276
268 H LYS 40 H LYS 40 0.051 2.854 -1.687
269 HA LYS 40 HA LYS 40 2.856 3.512 -0.876
270 HB3 LYS 40 2HB LYS 40 1.277 3.848 -3.429
271 HG3 LYS 40 2HG LYS 40 3.568 4.465 -4.384
272 HD3 LYS 40 2HD LYS 40 2.512 6.780 -2.767
273 HE3 LYS 40 2HE LYS 40 4.312 6.822 -4.535
274 HZ1 LYS 40 3HZ LYS 40 2.574 5.473 -6.081
275 HZ2 LYS 40 1HZ LYS 40 3.718 6.413 -6.777
276 HZ3 LYS 40 2HZ LYS 40 2.196 6.978 -6.540
277 H ALA 41 H ALA 41 3.065 5.547 0.126
278 HA ALA 41 HA ALA 41 0.586 7.179 0.467
279 HB1 ALA 41 1HB ALA 41 1.161 7.402 2.848
280 HB2 ALA 41 2HB ALA 41 0.849 5.706 2.441
281 HB3 ALA 41 3HB ALA 41 2.512 6.278 2.663
282 H VAL 42 H VAL 42 1.178 9.063 -0.645
283 HA VAL 42 HA VAL 42 3.961 9.877 -0.720
284 HB VAL 42 HB VAL 42 1.954 10.382 -2.354
285 HG11 VAL 42 1HG1 VAL 42 1.939 12.964 -0.835
286 HG12 VAL 42 2HG1 VAL 42 0.919 12.492 -2.204
287 HG13 VAL 42 3HG1 VAL 42 0.741 11.715 -0.596
288 HG21 VAL 42 3HG2 VAL 42 4.216 12.351 -1.943
289 HG22 VAL 42 1HG2 VAL 42 4.223 10.846 -2.919
290 HG23 VAL 42 2HG2 VAL 42 3.195 12.203 -3.387
291 H ASP 43 H ASP 43 4.675 12.129 0.262
292 HA ASP 43 HA ASP 43 2.929 13.012 2.458
293 HB3 ASP 43 2HB ASP 43 5.934 13.032 2.824
294 H ARG 44 H ARG 44 2.199 14.603 0.919
295 HA ARG 44 HA ARG 44 4.099 16.418 -0.251
296 HB3 ARG 44 2HB ARG 44 2.094 17.930 -0.585
297 HG3 ARG 44 2HG ARG 44 0.828 16.333 -2.054
298 HD3 ARG 44 2HD ARG 44 2.727 15.541 -3.475
299 HE ARG 44 HE ARG 44 2.186 18.330 -2.800
300 HH11 ARG 44 1HH1 ARG 44 4.074 16.180 -4.916
301 HH12 ARG 44 2HH1 ARG 44 4.106 17.298 -6.236
302 HH21 ARG 44 1HH2 ARG 44 2.312 19.845 -4.560
303 HH22 ARG 44 2HH2 ARG 44 3.236 19.435 -5.963
304 H ARG 45 H ARG 45 3.415 16.088 3.100
305 HA ARG 45 HA ARG 45 3.442 18.928 3.731
306 HB3 ARG 45 2HB ARG 45 2.669 16.814 5.129
307 HG3 ARG 45 2HG ARG 45 5.244 17.478 6.474
308 HD3 ARG 45 2HD ARG 45 3.336 15.132 6.874
309 HE ARG 45 HE ARG 45 5.860 15.648 7.930
310 HH11 ARG 45 1HH1 ARG 45 2.632 14.884 9.301
311 HH12 ARG 45 2HH1 ARG 45 3.329 13.852 10.511
312 HH21 ARG 45 1HH2 ARG 45 6.678 14.829 9.786
313 HH22 ARG 45 2HH2 ARG 45 5.688 14.154 11.038
314 H GLU 46 H GLU 46 5.863 16.314 3.515
315 HA GLU 46 HA GLU 46 8.040 18.336 3.766
316 HB3 GLU 46 2HB GLU 46 9.515 16.416 4.037
317 HG3 GLU 46 2HG GLU 46 7.547 15.358 5.879
318 H GLY 47 H GLY 47 6.332 16.524 1.382
319 HA2 GLY 47 1HA GLY 47 6.498 16.731 -0.937
320 HA3 GLY 47 2HA GLY 47 8.096 17.469 -0.782
321 H THR 48 H THR 48 7.537 14.564 1.156
322 HA THR 48 HA THR 48 9.322 13.035 -0.628
323 HB THR 48 HB THR 48 9.297 11.531 1.547
324 HG1 THR 48 1HG THR 48 9.251 13.325 3.312
325 HG21 THR 48 3HG2 THR 48 10.681 14.253 1.512
326 HG22 THR 48 1HG2 THR 48 11.231 12.830 0.604
327 HG23 THR 48 2HG2 THR 48 11.239 12.793 2.367
328 H ALA 49 H ALA 49 8.797 10.549 -0.420
329 HA ALA 49 HA ALA 49 5.913 10.009 -0.237
330 HB1 ALA 49 1HB ALA 49 6.421 10.226 -2.641
331 HB2 ALA 49 2HB ALA 49 7.769 9.109 -2.492
332 HB3 ALA 49 3HB ALA 49 6.106 8.522 -2.256
333 H ARG 50 H ARG 50 5.445 7.709 0.166
334 HA ARG 50 HA ARG 50 7.641 6.064 1.284
335 HB3 ARG 50 2HB ARG 50 5.943 5.325 3.034
336 HG3 ARG 50 2HG ARG 50 6.048 7.189 4.538
337 HD3 ARG 50 2HD ARG 50 8.681 7.109 3.031
338 HE ARG 50 HE ARG 50 8.866 8.562 4.866
339 HH11 ARG 50 1HH1 ARG 50 7.855 5.287 5.918
340 HH12 ARG 50 2HH1 ARG 50 8.272 5.599 7.582
341 HH21 ARG 50 1HH2 ARG 50 9.600 8.793 7.121
342 HH22 ARG 50 2HH2 ARG 50 9.236 7.500 8.203
343 H LEU 51 H LEU 51 6.975 3.819 1.387
344 HA LEU 51 HA LEU 51 4.711 3.020 -0.280
345 HB3 LEU 51 2HB LEU 51 7.239 1.689 -1.170
346 HG LEU 51 HG LEU 51 4.763 2.815 -2.543
347 HD11 LEU 51 1HD1 LEU 51 7.273 1.677 -3.767
348 HD12 LEU 51 2HD1 LEU 51 6.613 3.321 -3.967
349 HD13 LEU 51 3HD1 LEU 51 5.774 1.932 -4.671
350 HD21 LEU 51 3HD2 LEU 51 4.437 0.555 -3.445
351 HD22 LEU 51 1HD2 LEU 51 4.339 0.556 -1.700
352 HD23 LEU 51 2HD2 LEU 51 5.836 -0.032 -2.512
353 H PHE 52 H PHE 52 3.929 1.024 0.220
354 HA PHE 52 HA PHE 52 5.531 -0.681 2.091
355 HB3 PHE 52 2HB PHE 52 3.429 -1.075 3.344
356 HD1 PHE 52 1HD PHE 52 5.343 -0.225 4.826
357 HD2 PHE 52 2HD PHE 52 2.663 2.439 2.738
358 HE1 PHE 52 1HE PHE 52 6.136 1.668 6.198
359 HE2 PHE 52 2HE PHE 52 3.478 4.337 4.109
360 HZ PHE 52 HZ PHE 52 5.267 3.958 5.812
361 H SER 53 H SER 53 5.091 -2.904 1.931
362 HA SER 53 HA SER 53 3.068 -3.829 0.049
363 HB3 SER 53 2HB SER 53 5.981 -4.708 -0.114
364 HG SER 53 HG SER 53 4.053 -5.430 -2.006
365 H GLU 54 H GLU 54 2.589 -6.069 0.532
366 HA GLU 54 HA GLU 54 2.358 -6.471 3.356
367 HB3 GLU 54 2HB GLU 54 0.632 -7.116 1.710
368 HG3 GLU 54 2HG GLU 54 2.746 -9.130 0.855
369 H ALA 55 H ALA 55 3.075 -8.424 4.523
370 HA ALA 55 HA ALA 55 5.171 -10.102 3.397
371 HB1 ALA 55 1HB ALA 55 5.655 -8.175 5.724
372 HB2 ALA 55 2HB ALA 55 6.745 -9.502 5.273
373 HB3 ALA 55 3HB ALA 55 6.467 -8.155 4.146
374 H THR 56 H THR 56 5.609 -11.897 5.003
375 HA THR 56 HA THR 56 3.673 -12.106 7.204
376 HB THR 56 HB THR 56 3.695 -14.661 6.356
377 HG1 THR 56 1HG THR 56 3.271 -13.251 3.932
378 HG21 THR 56 3HG2 THR 56 1.692 -12.575 5.378
379 HG22 THR 56 1HG2 THR 56 1.697 -13.369 6.967
380 HG23 THR 56 2HG2 THR 56 1.430 -14.333 5.516
381 H ARG 57 H ARG 57 4.532 -13.019 8.988
382 HA ARG 57 HA ARG 57 7.380 -13.765 8.883
383 HB3 ARG 57 2HB ARG 57 6.732 -12.414 10.702
384 HG3 ARG 57 2HG ARG 57 4.616 -14.433 11.233
385 HD3 ARG 57 2HD ARG 57 5.957 -14.636 13.266
386 HE ARG 57 HE ARG 57 6.624 -11.964 13.151
387 HH11 ARG 57 1HH1 ARG 57 5.301 -14.250 15.563
388 HH12 ARG 57 2HH1 ARG 57 5.846 -13.326 16.903
389 HH21 ARG 57 1HH2 ARG 57 7.134 -10.650 15.008
390 HH22 ARG 57 2HH2 ARG 57 6.905 -11.246 16.607
391 H GLY 58 H GLY 58 8.029 -15.761 10.259
392 HA2 GLY 58 1HA GLY 58 7.371 -18.142 9.035
393 HA3 GLY 58 2HA GLY 58 7.979 -17.998 10.694
394 H ASP 59 H ASP 59 5.715 -16.673 11.844
395 HA ASP 59 HA ASP 59 3.916 -18.838 12.245
396 HB3 ASP 59 2HB ASP 59 2.876 -16.172 13.004
397 H GLY 60 H GLY 60 3.981 -16.845 9.599
398 HA2 GLY 60 1HA GLY 60 2.538 -16.387 7.878
399 HA3 GLY 60 2HA GLY 60 1.239 -17.255 8.690
400 H GLU 61 H GLU 61 2.910 -14.736 10.614
401 HA GLU 61 HA GLU 61 0.293 -13.436 10.799
402 HB3 GLU 61 2HB GLU 61 2.723 -12.324 12.173
403 HG3 GLU 61 2HG GLU 61 0.348 -11.535 12.440
404 H ARG 62 H ARG 62 -0.174 -11.561 9.649
405 HA ARG 62 HA ARG 62 1.873 -10.852 7.646
406 HB3 ARG 62 2HB ARG 62 -1.091 -10.324 7.699
407 HG3 ARG 62 2HG ARG 62 0.915 -10.007 5.449
408 HD3 ARG 62 2HD ARG 62 -1.765 -11.058 5.281
409 HE ARG 62 HE ARG 62 -1.479 -8.285 4.450
410 HH11 ARG 62 1HH1 ARG 62 -3.114 -11.323 3.541
411 HH12 ARG 62 2HH1 ARG 62 -4.585 -10.559 3.149
412 HH21 ARG 62 1HH2 ARG 62 -3.282 -7.285 3.846
413 HH22 ARG 62 2HH2 ARG 62 -4.681 -8.141 3.192
414 H PHE 63 H PHE 63 2.384 -8.702 7.048
415 HA PHE 63 HA PHE 63 1.655 -6.485 8.778
416 HB3 PHE 63 2HB PHE 63 3.390 -7.526 10.086
417 HD1 PHE 63 1HD PHE 63 4.142 -9.749 8.992
418 HD2 PHE 63 2HD PHE 63 6.086 -5.949 8.157
419 HE1 PHE 63 1HE PHE 63 6.277 -10.899 8.537
420 HE2 PHE 63 2HE PHE 63 8.189 -7.163 7.767
421 HZ PHE 63 HZ PHE 63 8.297 -9.614 7.923
422 H TRP 64 H TRP 64 3.176 -4.541 8.019
423 HA TRP 64 HA TRP 64 3.362 -4.549 5.040
424 HB3 TRP 64 2HB TRP 64 3.038 -2.070 5.339
425 HD1 TRP 64 HD TRP 64 0.306 -3.045 7.647
426 HE1 TRP 64 1HE TRP 64 -1.879 -3.540 6.358
427 HE3 TRP 64 3HE TRP 64 2.231 -3.239 2.955
428 HZ2 TRP 64 2HZ TRP 64 -2.658 -3.921 3.618
429 HZ3 TRP 64 3HZ TRP 64 0.797 -3.843 1.042
430 HH2 TRP 64 HH TRP 64 -1.649 -4.144 1.338
431 H MET 65 H MET 65 5.526 -4.928 4.706
432 HA MET 65 HA MET 65 7.447 -3.359 6.380
433 HB3 MET 65 2HB MET 65 7.768 -5.783 6.186
434 HG3 MET 65 2HG MET 65 8.868 -5.214 3.444
435 HE1 MET 65 3HE MET 65 10.843 -6.184 5.209
436 HE2 MET 65 1HE MET 65 9.947 -7.135 6.399
437 HE3 MET 65 2HE MET 65 11.149 -7.939 5.364
438 H GLN 66 H GLN 66 9.557 -2.770 5.033
439 HA GLN 66 HA GLN 66 8.578 -1.103 2.835
440 HB3 GLN 66 2HB GLN 66 10.369 0.530 3.609
441 HG3 GLN 66 2HG GLN 66 8.116 0.047 5.585
442 HE21 GLN 66 1HE2 GLN 66 10.470 2.514 4.204
443 HE22 GLN 66 2HE2 GLN 66 10.272 3.481 5.663
444 HA PRO 67 HA PRO 67 11.957 -3.873 1.257
445 HB3 PRO 67 2HB PRO 67 10.371 -5.385 0.508
446 HG3 PRO 67 2HG PRO 67 8.240 -4.627 -0.315
447 HD3 PRO 67 2HD PRO 67 8.594 -3.942 1.955
448 H VAL 68 H VAL 68 10.922 -0.851 0.210
449 HA VAL 68 HA VAL 68 13.186 -0.748 -1.715
450 HB VAL 68 HB VAL 68 11.396 -0.495 -3.096
451 HG11 VAL 68 1HG1 VAL 68 9.515 -0.225 -1.673
452 HG12 VAL 68 2HG1 VAL 68 10.066 1.380 -1.115
453 HG13 VAL 68 3HG1 VAL 68 9.539 1.127 -2.798
454 HG21 VAL 68 3HG2 VAL 68 12.291 2.328 -2.424
455 HG22 VAL 68 1HG2 VAL 68 13.201 1.148 -3.383
456 HG23 VAL 68 2HG2 VAL 68 11.645 1.743 -3.972
457 H ARG 69 H ARG 69 14.684 -0.359 -0.302
458 HA ARG 69 HA ARG 69 14.485 1.776 1.699
459 HB3 ARG 69 2HB ARG 69 17.192 1.054 1.447
460 HG3 ARG 69 2HG ARG 69 16.586 -0.559 3.392
461 HD3 ARG 69 2HD ARG 69 16.092 2.422 3.345
462 HE ARG 69 HE ARG 69 15.959 0.633 5.750
463 HH11 ARG 69 1HH1 ARG 69 14.861 3.629 4.141
464 HH12 ARG 69 2HH1 ARG 69 14.152 4.239 5.583
465 HH21 ARG 69 1HH2 ARG 69 14.825 1.375 7.511
466 HH22 ARG 69 2HH2 ARG 69 14.076 2.943 7.579
467 H SER 70 H SER 70 13.851 3.479 0.279
468 HA SER 70 HA SER 70 16.108 5.081 -0.386
469 HB3 SER 70 2HB SER 70 14.147 4.395 -2.634
470 HG SER 70 HG SER 70 15.840 5.615 -3.806
471 H THR 71 H THR 71 15.047 7.248 -1.246
472 HA THR 71 HA THR 71 12.238 7.540 -0.536
473 HB THR 71 HB THR 71 13.570 8.142 1.471
474 HG1 THR 71 1HG THR 71 11.787 10.069 0.431
475 HG21 THR 71 3HG2 THR 71 13.813 10.719 -0.032
476 HG22 THR 71 1HG2 THR 71 15.124 9.532 0.074
477 HG23 THR 71 2HG2 THR 71 14.499 10.311 1.565
478 H PHE 72 H PHE 72 14.200 7.477 -3.010
479 HA PHE 72 HA PHE 72 13.338 10.006 -4.295
480 HB3 PHE 72 2HB PHE 72 14.539 8.934 -6.252
481 HD1 PHE 72 1HD PHE 72 15.147 11.372 -5.760
482 HD2 PHE 72 2HD PHE 72 17.076 8.001 -3.883
483 HE1 PHE 72 1HE PHE 72 17.143 12.771 -5.292
484 HE2 PHE 72 2HE PHE 72 19.087 9.410 -3.456
485 HZ PHE 72 HZ PHE 72 19.118 11.782 -4.165
486 H GLU 73 H GLU 73 11.382 10.053 -5.333
487 HA GLU 73 HA GLU 73 9.597 8.009 -5.688
488 HB3 GLU 73 2HB GLU 73 8.718 9.370 -7.608
489 HG3 GLU 73 2HG GLU 73 8.256 9.654 -5.025
490 HA PRO 74 HA PRO 74 11.291 6.699 -9.935
491 HB3 PRO 74 2HB PRO 74 12.628 8.167 -11.019
492 HG3 PRO 74 2HG PRO 74 14.010 9.679 -9.816
493 HD3 PRO 74 2HD PRO 74 11.796 9.856 -8.974
494 H ASP 75 H ASP 75 12.615 6.210 -6.835
495 HA ASP 75 HA ASP 75 13.416 3.421 -7.549
496 HB3 ASP 75 2HB ASP 75 14.022 3.275 -5.133
497 H LEU 76 H LEU 76 11.303 5.463 -5.541
498 HA LEU 76 HA LEU 76 9.857 3.336 -4.301
499 HB3 LEU 76 2HB LEU 76 8.222 5.149 -3.687
500 HG LEU 76 HG LEU 76 11.162 5.851 -3.231
501 HD11 LEU 76 1HD1 LEU 76 10.266 7.309 -1.407
502 HD12 LEU 76 2HD1 LEU 76 8.626 6.984 -1.980
503 HD13 LEU 76 3HD1 LEU 76 9.778 7.863 -3.012
504 HD21 LEU 76 3HD2 LEU 76 10.430 3.705 -2.240
505 HD22 LEU 76 1HD2 LEU 76 9.090 4.557 -1.440
506 HD23 LEU 76 2HD2 LEU 76 10.796 4.937 -1.029
507 H ASP 77 H ASP 77 8.564 5.655 -6.780
508 HA ASP 77 HA ASP 77 6.147 4.123 -7.074
509 HB3 ASP 77 2HB ASP 77 7.395 6.087 -9.033
510 H ALA 78 H ALA 78 9.302 3.930 -8.524
511 HA ALA 78 HA ALA 78 8.724 2.261 -10.786
512 HB1 ALA 78 1HB ALA 78 10.836 3.503 -10.490
513 HB2 ALA 78 2HB ALA 78 11.232 2.496 -9.074
514 HB3 ALA 78 3HB ALA 78 11.140 1.768 -10.683
515 H TYR 79 H TYR 79 9.022 1.566 -7.311
516 HA TYR 79 HA TYR 79 9.352 -1.263 -7.423
517 HB3 TYR 79 2HB TYR 79 7.718 0.358 -5.444
518 HD1 TYR 79 2HD TYR 79 10.480 -2.002 -4.730
519 HD2 TYR 79 1HD TYR 79 6.224 -1.371 -4.866
520 HE1 TYR 79 2HE TYR 79 10.129 -4.097 -3.427
521 HE2 TYR 79 1HE TYR 79 5.879 -3.559 -3.709
522 HH TYR 79 HH TYR 79 8.038 -5.912 -3.364
523 H ALA 80 H ALA 80 6.420 0.850 -7.503
524 HA ALA 80 HA ALA 80 4.554 -1.303 -7.454
525 HB1 ALA 80 1HB ALA 80 3.999 1.040 -6.789
526 HB2 ALA 80 2HB ALA 80 4.187 1.547 -8.486
527 HB3 ALA 80 3HB ALA 80 2.897 0.422 -8.032
528 H GLU 81 H GLU 81 6.570 -0.226 -10.063
529 HA GLU 81 HA GLU 81 4.865 -1.472 -12.089
530 HB3 GLU 81 2HB GLU 81 7.304 0.327 -11.961
531 HG3 GLU 81 2HG GLU 81 6.472 -1.494 -14.205
532 H ARG 82 H ARG 82 8.160 -1.710 -10.652
533 HA ARG 82 HA ARG 82 8.888 -4.024 -12.079
534 HB3 ARG 82 2HB ARG 82 9.906 -2.646 -9.589
535 HG3 ARG 82 2HG ARG 82 10.875 -5.274 -10.727
536 HD3 ARG 82 2HD ARG 82 12.916 -4.646 -9.207
537 HE ARG 82 HE ARG 82 13.213 -5.266 -11.491
538 HH11 ARG 82 1HH1 ARG 82 13.337 -1.731 -10.962
539 HH12 ARG 82 2HH1 ARG 82 14.277 -1.453 -12.387
540 HH21 ARG 82 1HH2 ARG 82 14.557 -4.884 -13.238
541 HH22 ARG 82 2HH2 ARG 82 15.339 -3.364 -13.456
542 H ALA 83 H ALA 83 7.311 -3.783 -8.872
543 HA ALA 83 HA ALA 83 7.493 -6.507 -8.126
544 HB1 ALA 83 1HB ALA 83 5.548 -6.017 -6.674
545 HB2 ALA 83 2HB ALA 83 6.738 -4.711 -6.569
546 HB3 ALA 83 3HB ALA 83 5.272 -4.493 -7.536
547 H ALA 84 H ALA 84 5.081 -4.833 -10.139
548 HA ALA 84 HA ALA 84 3.344 -7.075 -10.442
549 HB1 ALA 84 1HB ALA 84 3.493 -4.480 -12.033
550 HB2 ALA 84 2HB ALA 84 2.087 -5.563 -11.843
551 HB3 ALA 84 3HB ALA 84 2.669 -4.646 -10.470
552 H ARG 85 H ARG 85 6.208 -7.354 -11.537
553 HA ARG 85 HA ARG 85 5.397 -8.453 -14.228
554 HB3 ARG 85 2HB ARG 85 7.863 -8.099 -14.789
555 HG3 ARG 85 2HG ARG 85 6.010 -5.738 -14.278
556 HD3 ARG 85 2HD ARG 85 8.851 -5.869 -15.354
557 HE ARG 85 HE ARG 85 6.885 -4.120 -16.278
558 HH11 ARG 85 1HH1 ARG 85 9.995 -3.815 -14.488
559 HH12 ARG 85 2HH1 ARG 85 10.256 -2.198 -15.095
560 HH21 ARG 85 1HH2 ARG 85 7.420 -2.151 -17.178
561 HH22 ARG 85 2HH2 ARG 85 8.706 -1.166 -16.559
562 H ILE 86 H ILE 86 6.073 -9.355 -11.169
563 HA ILE 86 HA ILE 86 6.928 -12.055 -12.035
564 HB ILE 86 HB ILE 86 8.128 -10.723 -9.561
565 HG13 ILE 86 2HG1 ILE 86 9.256 -10.919 -12.374
566 HG21 ILE 86 1HG2 ILE 86 9.604 -12.705 -9.535
567 HG22 ILE 86 2HG2 ILE 86 7.911 -13.192 -9.459
568 HG23 ILE 86 3HG2 ILE 86 8.799 -13.330 -10.989
569 HD11 ILE 86 3HD1 ILE 86 9.778 -8.964 -10.088
570 HD12 ILE 86 1HD1 ILE 86 10.324 -8.781 -11.764
571 HD13 ILE 86 2HD1 ILE 86 8.611 -8.641 -11.372
572 H ASP 87 H ASP 87 5.461 -9.890 -9.491
573 HA ASP 87 HA ASP 87 4.110 -12.131 -8.202
574 HB3 ASP 87 2HB ASP 87 2.683 -10.147 -7.346
575 HA PRO 88 HA PRO 88 1.460 -13.039 -11.310
576 HB3 PRO 88 2HB PRO 88 0.920 -14.930 -10.117
577 HG3 PRO 88 2HG PRO 88 0.615 -14.842 -7.757
578 HD3 PRO 88 2HD PRO 88 2.673 -13.832 -8.214
579 H ASP 89 H ASP 89 -0.164 -11.242 -8.714
580 HA ASP 89 HA ASP 89 -1.839 -9.739 -10.639
581 HB3 ASP 89 2HB ASP 89 -3.579 -11.236 -8.766
582 H ILE 90 H ILE 90 -0.480 -8.143 -9.478
583 HA ILE 90 HA ILE 90 -1.095 -7.835 -6.597
584 HB ILE 90 HB ILE 90 1.201 -8.092 -7.206
585 HG13 ILE 90 2HG1 ILE 90 0.521 -6.584 -5.307
586 HG21 ILE 90 1HG2 ILE 90 0.887 -5.601 -8.926
587 HG22 ILE 90 2HG2 ILE 90 2.434 -6.353 -8.502
588 HG23 ILE 90 3HG2 ILE 90 1.267 -7.243 -9.483
589 HD11 ILE 90 3HD1 ILE 90 3.044 -5.311 -6.062
590 HD12 ILE 90 1HD1 ILE 90 2.678 -6.416 -4.730
591 HD13 ILE 90 2HD1 ILE 90 3.097 -7.082 -6.307
592 H TRP 91 H TRP 91 -2.005 -6.067 -5.736
593 HA TRP 91 HA TRP 91 -3.417 -4.198 -7.529
594 HB3 TRP 91 2HB TRP 91 -4.466 -3.445 -5.377
595 HD1 TRP 91 HD TRP 91 -4.077 -7.319 -5.621
596 HE1 TRP 91 1HE TRP 91 -6.401 -8.361 -5.903
597 HE3 TRP 91 3HE TRP 91 -6.829 -3.105 -5.597
598 HZ2 TRP 91 2HZ TRP 91 -9.123 -7.427 -6.243
599 HZ3 TRP 91 3HZ TRP 91 -9.339 -3.163 -5.798
600 HH2 TRP 91 HH TRP 91 -10.486 -5.356 -6.107
601 H VAL 92 H VAL 92 -3.165 -1.935 -7.312
602 HA VAL 92 HA VAL 92 -0.744 -0.912 -5.890
603 HB VAL 92 HB VAL 92 -1.814 -0.136 -8.634
604 HG11 VAL 92 1HG1 VAL 92 0.144 1.359 -8.826
605 HG12 VAL 92 2HG1 VAL 92 -0.957 1.842 -7.538
606 HG13 VAL 92 3HG1 VAL 92 0.558 1.012 -7.132
607 HG21 VAL 92 3HG2 VAL 92 0.286 -0.912 -9.544
608 HG22 VAL 92 1HG2 VAL 92 0.886 -1.350 -7.919
609 HG23 VAL 92 2HG2 VAL 92 -0.455 -2.246 -8.660
610 H VAL 93 H VAL 93 -1.366 0.669 -4.434
611 HA VAL 93 HA VAL 93 -4.047 1.844 -4.694
612 HB VAL 93 HB VAL 93 -3.165 0.510 -2.110
613 HG11 VAL 93 1HG1 VAL 93 -5.865 1.418 -3.176
614 HG12 VAL 93 2HG1 VAL 93 -5.557 0.724 -1.572
615 HG13 VAL 93 3HG1 VAL 93 -4.875 2.304 -1.992
616 HG21 VAL 93 3HG2 VAL 93 -4.782 -1.296 -2.618
617 HG22 VAL 93 1HG2 VAL 93 -4.976 -0.670 -4.274
618 HG23 VAL 93 2HG2 VAL 93 -3.418 -1.331 -3.724
619 H GLU 94 H GLU 94 -3.284 3.812 -5.051
620 HA GLU 94 HA GLU 94 -0.975 4.831 -3.507
621 HB3 GLU 94 2HB GLU 94 -0.751 6.443 -5.277
622 HG3 GLU 94 2HG GLU 94 -0.529 5.185 -7.303
623 H ILE 95 H ILE 95 -1.324 6.189 -1.846
624 HA ILE 95 HA ILE 95 -3.862 7.718 -1.582
625 HB ILE 95 HB ILE 95 -1.963 6.605 0.542
626 HG13 ILE 95 2HG1 ILE 95 -4.831 5.792 -0.088
627 HG21 ILE 95 1HG2 ILE 95 -2.953 8.748 1.221
628 HG22 ILE 95 2HG2 ILE 95 -4.575 8.161 0.838
629 HG23 ILE 95 3HG2 ILE 95 -3.662 7.436 2.175
630 HD11 ILE 95 3HD1 ILE 95 -3.522 4.357 -1.415
631 HD12 ILE 95 1HD1 ILE 95 -2.247 4.221 -0.172
632 HD13 ILE 95 2HD1 ILE 95 -3.834 3.453 0.058
633 H GLU 96 H GLU 96 -3.472 9.857 -2.109
634 HA GLU 96 HA GLU 96 -0.741 10.920 -1.783
635 HB3 GLU 96 2HB GLU 96 -1.645 12.854 -3.119
636 HG3 GLU 96 2HG GLU 96 -1.772 10.177 -4.555
637 H ASP 97 H ASP 97 -0.761 11.182 0.628
638 HA ASP 97 HA ASP 97 -2.917 12.762 1.758
639 HB3 ASP 97 2HB ASP 97 -1.110 12.110 3.727
640 H ARG 98 H ARG 98 -2.063 14.282 3.526
641 HA ARG 98 HA ARG 98 -0.076 16.148 2.358
642 HB3 ARG 98 2HB ARG 98 -2.118 17.079 1.750
643 HG3 ARG 98 2HG ARG 98 -3.013 16.547 4.586
644 HD3 ARG 98 2HD ARG 98 -4.453 17.936 2.280
645 HE ARG 98 HE ARG 98 -5.679 16.169 3.908
646 HH11 ARG 98 1HH1 ARG 98 -6.008 19.672 3.398
647 HH12 ARG 98 2HH1 ARG 98 -7.651 19.703 3.917
648 HH21 ARG 98 1HH2 ARG 98 -7.725 16.265 4.816
649 HH22 ARG 98 2HH2 ARG 98 -8.624 17.757 4.882
650 H ASP 99 H ASP 99 -0.538 14.129 4.893
651 HA ASP 99 HA ASP 99 1.216 15.669 6.650
652 HB3 ASP 99 2HB ASP 99 -1.360 14.423 7.691
653 H GLY 100 H GLY 100 1.459 13.241 4.814
654 HA2 GLY 100 1HA GLY 100 2.500 11.244 4.867
655 HA3 GLY 100 2HA GLY 100 3.120 11.760 6.449
656 H ARG 101 H ARG 101 -0.177 10.899 5.379
657 HA ARG 101 HA ARG 101 -0.584 9.250 7.834
658 HB3 ARG 101 2HB ARG 101 -2.913 9.049 6.449
659 HG3 ARG 101 2HG ARG 101 -3.508 11.483 7.226
660 HD3 ARG 101 2HD ARG 101 -3.150 8.978 8.776
661 HE ARG 101 HE ARG 101 -2.473 10.098 10.654
662 HH11 ARG 101 1HH1 ARG 101 -4.986 12.094 9.144
663 HH12 ARG 101 2HH1 ARG 101 -4.365 13.573 9.841
664 HH21 ARG 101 1HH2 ARG 101 -1.662 12.184 11.424
665 HH22 ARG 101 2HH2 ARG 101 -2.694 13.566 11.361
666 H HIS 102 H HIS 102 -1.876 7.201 7.235
667 HA HIS 102 HA HIS 102 -0.838 5.811 4.869
668 HB3 HIS 102 2HB HIS 102 0.966 5.318 6.256
669 HD1 HIS 102 1HD HIS 102 -1.064 3.449 8.931
670 HD2 HIS 102 2HD HIS 102 1.299 6.881 8.352
671 HE1 HIS 102 1HE HIS 102 -0.764 4.449 11.200
672 H PHE 103 H PHE 103 -3.018 5.893 7.698
673 HA PHE 103 HA PHE 103 -5.093 5.108 7.981
674 HB3 PHE 103 2HB PHE 103 -6.446 4.903 5.777
675 HD1 PHE 103 1HD PHE 103 -7.393 6.347 7.713
676 HD2 PHE 103 2HD PHE 103 -4.381 7.767 4.950
677 HE1 PHE 103 1HE PHE 103 -8.011 8.688 8.211
678 HE2 PHE 103 2HE PHE 103 -5.067 10.070 5.399
679 HZ PHE 103 HZ PHE 103 -6.851 10.560 7.060
680 H LEU 104 H LEU 104 -2.852 2.950 7.104
681 HA LEU 104 HA LEU 104 -4.310 0.534 6.669
682 HB3 LEU 104 2HB LEU 104 -2.172 -0.530 7.526
683 HG LEU 104 HG LEU 104 -1.814 1.734 5.528
684 HD11 LEU 104 1HD1 LEU 104 0.356 1.215 6.588
685 HD12 LEU 104 2HD1 LEU 104 0.298 0.743 4.881
686 HD13 LEU 104 3HD1 LEU 104 0.143 -0.484 6.145
687 HD21 LEU 104 3HD2 LEU 104 -1.643 -0.394 4.023
688 HD22 LEU 104 1HD2 LEU 104 -3.250 0.169 4.540
689 HD23 LEU 104 2HD2 LEU 104 -2.472 -1.213 5.340
690 H THR 105 H THR 105 -4.362 -1.298 8.302
691 HA THR 105 HA THR 105 -5.269 -0.328 10.966
692 HB THR 105 HB THR 105 -6.908 -1.254 9.352
693 HG1 THR 105 1HG THR 105 -7.313 -1.401 11.539
694 HG21 THR 105 3HG2 THR 105 -7.040 -3.557 8.764
695 HG22 THR 105 1HG2 THR 105 -5.676 -3.981 9.807
696 HG23 THR 105 2HG2 THR 105 -5.416 -3.032 8.327
697 H GLU 106 H GLU 106 -2.691 -1.837 9.522
698 HA GLU 106 HA GLU 106 -2.175 -3.955 11.510
699 HB3 GLU 106 2HB GLU 106 -0.600 -4.575 9.450
700 HG3 GLU 106 2HG GLU 106 -3.594 -4.798 9.669
701 HA PRO 107 HA PRO 107 1.638 -1.834 12.705
702 HB3 PRO 107 2HB PRO 107 2.084 -3.627 14.057
703 HG3 PRO 107 2HG PRO 107 1.811 -5.892 13.324
704 HD3 PRO 107 2HD PRO 107 -0.291 -4.939 12.950
705 H VAL 108 H VAL 108 4.108 -1.732 11.970
706 HA VAL 108 HA VAL 108 4.389 -2.137 9.078
707 HB VAL 108 HB VAL 108 4.805 0.484 10.571
708 HG11 VAL 108 1HG1 VAL 108 5.678 -0.180 7.727
709 HG12 VAL 108 2HG1 VAL 108 5.624 1.452 8.444
710 HG13 VAL 108 3HG1 VAL 108 6.740 0.253 9.077
711 HG21 VAL 108 3HG2 VAL 108 3.083 -0.284 8.190
712 HG22 VAL 108 1HG2 VAL 108 2.547 0.212 9.815
713 HG23 VAL 108 2HG2 VAL 108 3.335 1.374 8.748
714 H GLU 109 H GLU 109 6.574 -2.521 8.455
715 HA GLU 109 HA GLU 109 8.656 -2.569 10.554
716 HB3 GLU 109 2HB GLU 109 9.534 -4.201 8.501
717 HG3 GLU 109 2HG GLU 109 8.279 -6.005 9.846
718 H SER 110 H SER 110 10.772 -2.050 9.809
719 HA SER 110 HA SER 110 10.740 0.114 7.752
720 HB3 SER 110 2HB SER 110 12.401 1.224 9.154
721 HG SER 110 HG SER 110 11.186 1.227 11.247
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -10.390 -17.112 14.506
2 HA2 GLY 1 1HA GLY 1 -11.026 -17.007 12.201
3 HA3 GLY 1 2HA GLY 1 -12.500 -17.234 13.154
4 H MET 2 H MET 2 -10.820 -15.217 10.934
5 HA MET 2 HA MET 2 -13.119 -13.379 10.823
6 HB3 MET 2 2HB MET 2 -11.646 -11.584 10.029
7 HG3 MET 2 2HG MET 2 -9.864 -11.577 12.066
8 HE1 MET 2 3HE MET 2 -13.578 -12.027 13.207
9 HE2 MET 2 1HE MET 2 -14.236 -10.384 13.028
10 HE3 MET 2 2HE MET 2 -13.871 -11.348 11.584
11 H LEU 3 H LEU 3 -13.488 -12.794 8.496
12 HA LEU 3 HA LEU 3 -11.920 -14.360 6.562
13 HB3 LEU 3 2HB LEU 3 -14.878 -14.235 6.130
14 HG LEU 3 HG LEU 3 -14.595 -16.412 5.166
15 HD11 LEU 3 1HD1 LEU 3 -13.946 -14.561 3.677
16 HD12 LEU 3 2HD1 LEU 3 -13.079 -16.058 3.320
17 HD13 LEU 3 3HD1 LEU 3 -12.256 -14.743 4.187
18 HD21 LEU 3 3HD2 LEU 3 -13.006 -17.311 6.839
19 HD22 LEU 3 1HD2 LEU 3 -11.683 -16.434 6.053
20 HD23 LEU 3 2HD2 LEU 3 -12.564 -17.702 5.179
21 H LEU 4 H LEU 4 -10.976 -12.837 5.510
22 HA LEU 4 HA LEU 4 -12.481 -10.492 4.462
23 HB3 LEU 4 2HB LEU 4 -10.178 -9.351 4.577
24 HG LEU 4 HG LEU 4 -11.705 -10.230 7.058
25 HD11 LEU 4 1HD1 LEU 4 -9.239 -10.056 7.694
26 HD12 LEU 4 2HD1 LEU 4 -10.421 -9.111 8.604
27 HD13 LEU 4 3HD1 LEU 4 -9.432 -8.297 7.411
28 HD21 LEU 4 3HD2 LEU 4 -12.663 -8.514 5.638
29 HD22 LEU 4 1HD2 LEU 4 -11.172 -7.545 5.745
30 HD23 LEU 4 2HD2 LEU 4 -12.176 -7.803 7.188
31 H SER 5 H SER 5 -11.179 -9.628 2.436
32 HA SER 5 HA SER 5 -9.906 -11.762 0.896
33 HB3 SER 5 2HB SER 5 -11.260 -11.456 -1.054
34 HG SER 5 HG SER 5 -12.943 -11.560 1.255
35 H THR 6 H THR 6 -8.859 -10.711 -1.144
36 HA THR 6 HA THR 6 -7.224 -8.633 -0.284
37 HB THR 6 HB THR 6 -7.708 -9.590 -3.128
38 HG1 THR 6 1HG THR 6 -5.472 -10.459 -2.076
39 HG21 THR 6 3HG2 THR 6 -6.509 -7.380 -2.930
40 HG22 THR 6 1HG2 THR 6 -5.458 -8.685 -3.505
41 HG23 THR 6 2HG2 THR 6 -5.380 -8.158 -1.809
42 H ASP 7 H ASP 7 -9.997 -8.508 -2.548
43 HA ASP 7 HA ASP 7 -9.926 -5.728 -3.038
44 HB3 ASP 7 2HB ASP 7 -12.186 -7.724 -3.013
45 H ILE 8 H ILE 8 -11.104 -7.464 -0.176
46 HA ILE 8 HA ILE 8 -12.804 -5.404 0.871
47 HB ILE 8 HB ILE 8 -11.391 -7.570 2.442
48 HG13 ILE 8 2HG1 ILE 8 -13.373 -8.828 2.280
49 HG21 ILE 8 1HG2 ILE 8 -12.013 -5.931 3.999
50 HG22 ILE 8 2HG2 ILE 8 -13.498 -5.523 3.124
51 HG23 ILE 8 3HG2 ILE 8 -13.380 -7.060 4.016
52 HD11 ILE 8 3HD1 ILE 8 -14.648 -6.631 0.626
53 HD12 ILE 8 1HD1 ILE 8 -15.259 -8.285 0.844
54 HD13 ILE 8 2HD1 ILE 8 -15.162 -7.188 2.235
55 H TRP 9 H TRP 9 -9.374 -6.354 1.605
56 HA TRP 9 HA TRP 9 -9.138 -4.335 3.623
57 HB3 TRP 9 2HB TRP 9 -6.748 -4.652 3.448
58 HD1 TRP 9 HD TRP 9 -8.273 -5.901 5.617
59 HE1 TRP 9 1HE TRP 9 -7.989 -8.329 6.361
60 HE3 TRP 9 3HE TRP 9 -6.310 -7.818 1.361
61 HZ2 TRP 9 2HZ TRP 9 -7.299 -10.896 5.133
62 HZ3 TRP 9 3HZ TRP 9 -5.860 -10.276 1.129
63 HH2 TRP 9 HH TRP 9 -6.377 -11.810 3.008
64 H VAL 10 H VAL 10 -8.283 -4.361 0.115
65 HA VAL 10 HA VAL 10 -7.145 -1.755 0.072
66 HB VAL 10 HB VAL 10 -8.631 -3.314 -2.092
67 HG11 VAL 10 1HG1 VAL 10 -6.885 -0.810 -2.253
68 HG12 VAL 10 2HG1 VAL 10 -7.422 -1.759 -3.655
69 HG13 VAL 10 3HG1 VAL 10 -8.608 -0.930 -2.656
70 HG21 VAL 10 3HG2 VAL 10 -5.654 -3.001 -1.466
71 HG22 VAL 10 1HG2 VAL 10 -6.604 -4.485 -1.293
72 HG23 VAL 10 2HG2 VAL 10 -6.316 -3.819 -2.892
73 H ALA 11 H ALA 11 -10.582 -2.859 -0.403
74 HA ALA 11 HA ALA 11 -11.645 -0.339 -0.866
75 HB1 ALA 11 1HB ALA 11 -13.806 -1.323 -0.135
76 HB2 ALA 11 2HB ALA 11 -12.900 -2.449 -1.167
77 HB3 ALA 11 3HB ALA 11 -12.950 -2.692 0.594
78 H ALA 12 H ALA 12 -11.122 -1.981 2.237
79 HA ALA 12 HA ALA 12 -12.415 -0.116 3.935
80 HB1 ALA 12 1HB ALA 12 -10.169 -2.138 4.495
81 HB2 ALA 12 2HB ALA 12 -11.209 -1.409 5.719
82 HB3 ALA 12 3HB ALA 12 -11.904 -2.491 4.505
83 H LEU 13 H LEU 13 -8.990 -0.671 3.472
84 HA LEU 13 HA LEU 13 -7.745 1.457 4.639
85 HB3 LEU 13 2HB LEU 13 -7.141 -0.241 2.191
86 HG LEU 13 HG LEU 13 -5.837 1.941 2.108
87 HD11 LEU 13 1HD1 LEU 13 -5.562 2.367 4.511
88 HD12 LEU 13 2HD1 LEU 13 -3.962 2.045 3.837
89 HD13 LEU 13 3HD1 LEU 13 -4.775 0.744 4.721
90 HD21 LEU 13 3HD2 LEU 13 -5.042 -0.242 1.147
91 HD22 LEU 13 1HD2 LEU 13 -4.215 -0.596 2.669
92 HD23 LEU 13 2HD2 LEU 13 -3.718 0.801 1.684
93 H ILE 14 H ILE 14 -8.753 1.357 1.142
94 HA ILE 14 HA ILE 14 -8.077 4.057 0.595
95 HB ILE 14 HB ILE 14 -10.006 2.054 -0.631
96 HG13 ILE 14 2HG1 ILE 14 -8.421 2.084 -2.508
97 HG21 ILE 14 1HG2 ILE 14 -10.270 3.573 -2.615
98 HG22 ILE 14 2HG2 ILE 14 -11.156 4.063 -1.176
99 HG23 ILE 14 3HG2 ILE 14 -9.668 4.911 -1.612
100 HD11 ILE 14 3HD1 ILE 14 -6.477 3.680 -0.824
101 HD12 ILE 14 1HD1 ILE 14 -6.391 3.262 -2.534
102 HD13 ILE 14 2HD1 ILE 14 -7.536 4.484 -2.009
103 H ARG 15 H ARG 15 -11.096 2.634 1.726
104 HA ARG 15 HA ARG 15 -12.622 5.034 1.566
105 HB3 ARG 15 2HB ARG 15 -13.847 3.834 3.698
106 HG3 ARG 15 2HG ARG 15 -14.950 2.262 2.004
107 HD3 ARG 15 2HD ARG 15 -14.748 5.237 1.328
108 HE ARG 15 HE ARG 15 -17.225 3.721 1.011
109 HH11 ARG 15 1HH1 ARG 15 -14.381 5.211 -0.754
110 HH12 ARG 15 2HH1 ARG 15 -15.136 5.108 -2.239
111 HH21 ARG 15 1HH2 ARG 15 -18.216 3.714 -1.041
112 HH22 ARG 15 2HH2 ARG 15 -17.449 4.448 -2.403
113 H ARG 16 H ARG 16 -10.662 3.808 4.240
114 HA ARG 16 HA ARG 16 -11.201 5.912 6.104
115 HB3 ARG 16 2HB ARG 16 -8.949 5.247 7.073
116 HG3 ARG 16 2HG ARG 16 -11.072 3.229 6.378
117 HD3 ARG 16 2HD ARG 16 -8.382 2.502 7.540
118 HE ARG 16 HE ARG 16 -9.664 1.559 9.162
119 HH11 ARG 16 1HH1 ARG 16 -11.532 1.228 6.131
120 HH12 ARG 16 2HH1 ARG 16 -12.745 0.228 6.879
121 HH21 ARG 16 1HH2 ARG 16 -11.306 0.353 10.111
122 HH22 ARG 16 2HH2 ARG 16 -12.696 -0.116 9.179
123 H ALA 17 H ALA 17 -8.548 5.677 3.682
124 HA ALA 17 HA ALA 17 -7.377 8.183 4.237
125 HB1 ALA 17 1HB ALA 17 -7.523 6.653 1.619
126 HB2 ALA 17 2HB ALA 17 -6.307 7.874 2.071
127 HB3 ALA 17 3HB ALA 17 -6.352 6.317 2.920
128 H GLU 18 H GLU 18 -9.753 7.327 1.675
129 HA GLU 18 HA GLU 18 -10.055 9.878 0.513
130 HB3 GLU 18 2HB GLU 18 -12.498 8.892 0.186
131 HG3 GLU 18 2HG GLU 18 -10.112 7.501 -1.104
132 H LEU 19 H LEU 19 -11.806 8.367 3.267
133 HA LEU 19 HA LEU 19 -13.640 10.501 3.689
134 HB3 LEU 19 2HB LEU 19 -13.227 9.377 6.191
135 HG LEU 19 HG LEU 19 -15.300 9.594 5.067
136 HD11 LEU 19 1HD1 LEU 19 -14.646 7.167 3.339
137 HD12 LEU 19 2HD1 LEU 19 -14.745 8.837 2.746
138 HD13 LEU 19 3HD1 LEU 19 -16.181 8.068 3.397
139 HD21 LEU 19 3HD2 LEU 19 -14.665 6.715 5.870
140 HD22 LEU 19 1HD2 LEU 19 -16.316 7.357 5.710
141 HD23 LEU 19 2HD2 LEU 19 -15.246 8.035 6.930
142 H GLY 20 H GLY 20 -10.421 10.022 4.749
143 HA2 GLY 20 1HA GLY 20 -10.087 12.282 6.502
144 HA3 GLY 20 2HA GLY 20 -8.807 11.467 5.590
145 H GLY 21 H GLY 21 -10.945 12.376 3.191
146 HA2 GLY 21 1HA GLY 21 -11.183 14.197 1.807
147 HA3 GLY 21 2HA GLY 21 -10.266 15.202 2.951
148 H ALA 22 H ALA 22 -8.613 12.294 2.265
149 HA ALA 22 HA ALA 22 -6.630 13.894 0.731
150 HB1 ALA 22 1HB ALA 22 -6.293 11.375 2.403
151 HB2 ALA 22 2HB ALA 22 -4.998 12.303 1.609
152 HB3 ALA 22 3HB ALA 22 -5.908 13.026 2.925
153 H PHE 23 H PHE 23 -5.232 12.010 -0.650
154 HA PHE 23 HA PHE 23 -7.370 11.280 -2.609
155 HB3 PHE 23 2HB PHE 23 -4.640 12.466 -3.208
156 HD1 PHE 23 1HD PHE 23 -4.384 11.012 -5.230
157 HD2 PHE 23 2HD PHE 23 -7.811 13.596 -4.696
158 HE1 PHE 23 1HE PHE 23 -4.989 10.743 -7.637
159 HE2 PHE 23 2HE PHE 23 -8.383 13.324 -7.088
160 HZ PHE 23 HZ PHE 23 -6.977 11.922 -8.553
161 H ALA 24 H ALA 24 -7.533 9.224 -1.916
162 HA ALA 24 HA ALA 24 -5.177 7.504 -2.428
163 HB1 ALA 24 1HB ALA 24 -6.212 5.962 -0.843
164 HB2 ALA 24 2HB ALA 24 -5.926 7.539 -0.111
165 HB3 ALA 24 3HB ALA 24 -7.578 7.080 -0.627
166 H THR 25 H THR 25 -5.464 5.712 -3.782
167 HA THR 25 HA THR 25 -8.024 4.709 -4.418
168 HB THR 25 HB THR 25 -8.113 6.682 -5.890
169 HG1 THR 25 1HG THR 25 -9.130 5.546 -7.240
170 HG21 THR 25 3HG2 THR 25 -5.762 5.376 -7.295
171 HG22 THR 25 1HG2 THR 25 -5.712 6.906 -6.395
172 HG23 THR 25 2HG2 THR 25 -6.683 6.779 -7.877
173 H VAL 26 H VAL 26 -7.638 3.016 -6.341
174 HA VAL 26 HA VAL 26 -5.034 1.705 -5.867
175 HB VAL 26 HB VAL 26 -6.821 0.498 -4.841
176 HG11 VAL 26 1HG1 VAL 26 -8.059 -0.017 -7.555
177 HG12 VAL 26 2HG1 VAL 26 -8.586 -0.655 -5.989
178 HG13 VAL 26 3HG1 VAL 26 -8.702 1.081 -6.317
179 HG21 VAL 26 3HG2 VAL 26 -6.411 -1.632 -6.599
180 HG22 VAL 26 1HG2 VAL 26 -5.047 -0.584 -6.919
181 HG23 VAL 26 2HG2 VAL 26 -5.333 -1.137 -5.268
182 H ALA 27 H ALA 27 -3.733 1.946 -7.477
183 HA ALA 27 HA ALA 27 -4.533 2.947 -10.087
184 HB1 ALA 27 1HB ALA 27 -2.072 3.145 -10.301
185 HB2 ALA 27 2HB ALA 27 -2.618 3.818 -8.753
186 HB3 ALA 27 3HB ALA 27 -1.849 2.223 -8.803
187 H ARG 28 H ARG 28 -4.238 -0.189 -8.778
188 HA ARG 28 HA ARG 28 -3.873 -1.430 -11.428
189 HB3 ARG 28 2HB ARG 28 -2.151 -2.197 -9.110
190 HG3 ARG 28 2HG ARG 28 -2.524 -3.360 -11.776
191 HD3 ARG 28 2HD ARG 28 0.046 -3.753 -11.923
192 HE ARG 28 HE ARG 28 -0.555 -0.967 -12.686
193 HH11 ARG 28 1HH1 ARG 28 -0.708 -4.403 -13.625
194 HH12 ARG 28 2HH1 ARG 28 -0.891 -4.081 -15.306
195 HH21 ARG 28 1HH2 ARG 28 -0.800 -0.525 -14.874
196 HH22 ARG 28 2HH2 ARG 28 -1.115 -1.769 -16.034
197 H LYS 29 H LYS 29 -5.025 -3.328 -11.502
198 HA LYS 29 HA LYS 29 -6.487 -4.140 -9.045
199 HB3 LYS 29 2HB LYS 29 -7.068 -4.772 -11.979
200 HG3 LYS 29 2HG LYS 29 -8.014 -6.428 -10.357
201 HD3 LYS 29 2HD LYS 29 -8.460 -4.748 -8.457
202 HE3 LYS 29 2HE LYS 29 -9.610 -3.049 -9.959
203 HZ1 LYS 29 3HZ LYS 29 -11.109 -4.859 -10.983
204 HZ2 LYS 29 1HZ LYS 29 -11.752 -3.395 -10.627
205 HZ3 LYS 29 2HZ LYS 29 -12.057 -4.649 -9.632
206 H GLY 30 H GLY 30 -5.737 -5.963 -8.060
207 HA2 GLY 30 1HA GLY 30 -4.314 -8.004 -9.685
208 HA3 GLY 30 2HA GLY 30 -4.139 -7.783 -7.941
209 H ASP 31 H ASP 31 -4.773 -10.151 -8.018
210 HA ASP 31 HA ASP 31 -7.415 -10.949 -8.806
211 HB3 ASP 31 2HB ASP 31 -5.864 -12.331 -6.656
212 H ALA 32 H ALA 32 -9.383 -10.913 -7.532
213 HA ALA 32 HA ALA 32 -9.308 -9.298 -5.127
214 HB1 ALA 32 1HB ALA 32 -11.701 -9.663 -5.005
215 HB2 ALA 32 2HB ALA 32 -11.235 -9.223 -6.649
216 HB3 ALA 32 3HB ALA 32 -11.609 -10.922 -6.263
217 H ARG 33 H ARG 33 -8.825 -12.722 -5.627
218 HA ARG 33 HA ARG 33 -9.188 -13.142 -2.684
219 HB3 ARG 33 2HB ARG 33 -9.479 -15.524 -3.228
220 HG3 ARG 33 2HG ARG 33 -11.599 -14.249 -4.926
221 HD3 ARG 33 2HD ARG 33 -13.092 -15.529 -3.477
222 HE ARG 33 HE ARG 33 -11.929 -16.883 -5.208
223 HH11 ARG 33 1HH1 ARG 33 -11.335 -17.627 -1.770
224 HH12 ARG 33 2HH1 ARG 33 -10.949 -19.291 -2.060
225 HH21 ARG 33 1HH2 ARG 33 -11.399 -19.053 -5.582
226 HH22 ARG 33 2HH2 ARG 33 -11.025 -20.141 -4.292
227 H ALA 34 H ALA 34 -6.924 -13.530 -5.416
228 HA ALA 34 HA ALA 34 -4.912 -14.408 -3.402
229 HB1 ALA 34 1HB ALA 34 -5.136 -15.330 -6.289
230 HB2 ALA 34 2HB ALA 34 -3.923 -15.870 -5.111
231 HB3 ALA 34 3HB ALA 34 -5.623 -16.274 -4.857
232 H GLY 35 H GLY 35 -5.523 -11.709 -4.319
233 HA2 GLY 35 1HA GLY 35 -3.173 -11.024 -5.932
234 HA3 GLY 35 2HA GLY 35 -4.425 -9.925 -5.457
235 H ALA 36 H ALA 36 -1.341 -10.525 -5.074
236 HA ALA 36 HA ALA 36 -0.870 -9.773 -2.266
237 HB1 ALA 36 1HB ALA 36 0.974 -10.691 -3.633
238 HB2 ALA 36 2HB ALA 36 0.813 -9.347 -4.784
239 HB3 ALA 36 3HB ALA 36 1.360 -9.041 -3.124
240 H VAL 37 H VAL 37 0.017 -7.410 -1.843
241 HA VAL 37 HA VAL 37 -1.413 -5.364 -3.417
242 HB VAL 37 HB VAL 37 -1.794 -5.897 -0.458
243 HG11 VAL 37 1HG1 VAL 37 -3.063 -3.732 -2.196
244 HG12 VAL 37 2HG1 VAL 37 -3.494 -4.063 -0.505
245 HG13 VAL 37 3HG1 VAL 37 -1.893 -3.456 -0.883
246 HG21 VAL 37 3HG2 VAL 37 -3.151 -7.480 -1.566
247 HG22 VAL 37 1HG2 VAL 37 -4.188 -6.220 -0.921
248 HG23 VAL 37 2HG2 VAL 37 -3.825 -6.254 -2.656
249 H LEU 38 H LEU 38 -0.482 -3.309 -3.142
250 HA LEU 38 HA LEU 38 1.934 -3.020 -1.403
251 HB3 LEU 38 2HB LEU 38 2.678 -1.295 -2.962
252 HG LEU 38 HG LEU 38 1.926 -3.683 -4.701
253 HD11 LEU 38 1HD1 LEU 38 4.202 -1.665 -4.878
254 HD12 LEU 38 2HD1 LEU 38 2.743 -1.664 -5.884
255 HD13 LEU 38 3HD1 LEU 38 3.885 -3.013 -6.001
256 HD21 LEU 38 3HD2 LEU 38 4.289 -3.237 -2.846
257 HD22 LEU 38 1HD2 LEU 38 4.219 -4.524 -4.090
258 HD23 LEU 38 2HD2 LEU 38 3.088 -4.542 -2.742
259 H VAL 39 H VAL 39 1.984 -1.117 -0.198
260 HA VAL 39 HA VAL 39 -0.417 0.672 -0.367
261 HB VAL 39 HB VAL 39 0.679 -0.365 2.276
262 HG11 VAL 39 1HG1 VAL 39 -1.533 1.631 1.611
263 HG12 VAL 39 2HG1 VAL 39 -1.276 0.918 3.214
264 HG13 VAL 39 3HG1 VAL 39 -0.040 1.960 2.524
265 HG21 VAL 39 3HG2 VAL 39 -1.984 -0.817 0.862
266 HG22 VAL 39 1HG2 VAL 39 -0.728 -2.032 1.161
267 HG23 VAL 39 2HG2 VAL 39 -1.594 -1.322 2.525
268 H LYS 40 H LYS 40 0.605 2.208 -1.497
269 HA LYS 40 HA LYS 40 3.144 3.381 -0.565
270 HB3 LYS 40 2HB LYS 40 1.277 3.802 -2.919
271 HG3 LYS 40 2HG LYS 40 3.510 5.561 -1.919
272 HD3 LYS 40 2HD LYS 40 2.836 5.259 -4.857
273 HE3 LYS 40 2HE LYS 40 4.592 7.089 -3.170
274 HZ1 LYS 40 3HZ LYS 40 5.969 6.158 -4.997
275 HZ2 LYS 40 1HZ LYS 40 5.644 7.767 -5.220
276 HZ3 LYS 40 2HZ LYS 40 4.871 6.705 -6.090
277 H ALA 41 H ALA 41 3.291 5.627 0.112
278 HA ALA 41 HA ALA 41 0.848 7.085 0.606
279 HB1 ALA 41 1HB ALA 41 1.643 7.909 2.814
280 HB2 ALA 41 2HB ALA 41 1.205 6.201 2.901
281 HB3 ALA 41 3HB ALA 41 2.908 6.676 2.815
282 H VAL 42 H VAL 42 1.429 9.461 0.547
283 HA VAL 42 HA VAL 42 4.237 10.065 -0.134
284 HB VAL 42 HB VAL 42 1.791 11.121 -1.607
285 HG11 VAL 42 1HG1 VAL 42 3.501 12.031 -3.183
286 HG12 VAL 42 2HG1 VAL 42 3.670 12.716 -1.560
287 HG13 VAL 42 3HG1 VAL 42 4.781 11.440 -2.097
288 HG21 VAL 42 3HG2 VAL 42 3.853 9.066 -2.504
289 HG22 VAL 42 1HG2 VAL 42 2.102 8.794 -2.300
290 HG23 VAL 42 2HG2 VAL 42 2.681 9.849 -3.585
291 H ASP 43 H ASP 43 4.921 11.980 0.699
292 HA ASP 43 HA ASP 43 3.174 13.378 2.656
293 HB3 ASP 43 2HB ASP 43 5.319 14.547 3.259
294 H ARG 44 H ARG 44 1.819 14.477 1.072
295 HA ARG 44 HA ARG 44 2.955 16.616 -0.578
296 HB3 ARG 44 2HB ARG 44 0.646 17.394 -0.834
297 HG3 ARG 44 2HG ARG 44 -0.328 15.536 -2.016
298 HD3 ARG 44 2HD ARG 44 2.674 15.286 -2.426
299 HE ARG 44 HE ARG 44 0.374 14.586 -4.028
300 HH11 ARG 44 1HH1 ARG 44 3.551 16.153 -4.415
301 HH12 ARG 44 2HH1 ARG 44 3.720 15.675 -6.064
302 HH21 ARG 44 1HH2 ARG 44 0.743 13.705 -6.124
303 HH22 ARG 44 2HH2 ARG 44 2.095 14.254 -7.055
304 H ARG 45 H ARG 45 4.076 16.645 1.930
305 HA ARG 45 HA ARG 45 3.542 19.478 2.616
306 HB3 ARG 45 2HB ARG 45 4.706 18.680 4.907
307 HG3 ARG 45 2HG ARG 45 1.758 18.409 4.245
308 HD3 ARG 45 2HD ARG 45 3.281 18.236 6.810
309 HE ARG 45 HE ARG 45 1.915 20.526 6.530
310 HH11 ARG 45 1HH1 ARG 45 1.388 17.786 8.747
311 HH12 ARG 45 2HH1 ARG 45 0.413 18.719 9.801
312 HH21 ARG 45 1HH2 ARG 45 0.828 21.721 8.026
313 HH22 ARG 45 2HH2 ARG 45 -0.033 20.947 9.338
314 H GLU 46 H GLU 46 6.156 17.131 3.514
315 HA GLU 46 HA GLU 46 8.099 19.089 2.684
316 HB3 GLU 46 2HB GLU 46 9.725 17.571 3.594
317 HG3 GLU 46 2HG GLU 46 7.225 17.254 5.304
318 H GLY 47 H GLY 47 6.668 16.271 1.104
319 HA2 GLY 47 1HA GLY 47 6.776 15.967 -1.255
320 HA3 GLY 47 2HA GLY 47 8.344 16.773 -1.298
321 H THR 48 H THR 48 8.039 14.618 1.341
322 HA THR 48 HA THR 48 9.865 12.651 0.296
323 HB THR 48 HB THR 48 9.072 11.849 2.752
324 HG1 THR 48 1HG THR 48 8.589 13.601 4.055
325 HG21 THR 48 3HG2 THR 48 10.768 14.307 2.257
326 HG22 THR 48 1HG2 THR 48 11.362 12.655 2.099
327 HG23 THR 48 2HG2 THR 48 10.879 13.261 3.691
328 H ALA 49 H ALA 49 9.168 10.240 0.519
329 HA ALA 49 HA ALA 49 6.306 9.784 0.294
330 HB1 ALA 49 1HB ALA 49 8.251 9.301 -2.007
331 HB2 ALA 49 2HB ALA 49 6.611 8.591 -1.918
332 HB3 ALA 49 3HB ALA 49 6.839 10.347 -2.024
333 H ARG 50 H ARG 50 5.808 7.551 0.294
334 HA ARG 50 HA ARG 50 7.904 5.717 1.438
335 HB3 ARG 50 2HB ARG 50 5.888 4.697 2.718
336 HG3 ARG 50 2HG ARG 50 5.622 6.846 4.258
337 HD3 ARG 50 2HD ARG 50 8.181 5.222 3.968
338 HE ARG 50 HE ARG 50 7.541 6.436 6.525
339 HH11 ARG 50 1HH1 ARG 50 9.454 6.797 3.566
340 HH12 ARG 50 2HH1 ARG 50 9.756 8.468 3.842
341 HH21 ARG 50 1HH2 ARG 50 8.425 8.492 7.122
342 HH22 ARG 50 2HH2 ARG 50 9.639 9.274 6.156
343 H LEU 51 H LEU 51 7.345 3.373 1.141
344 HA LEU 51 HA LEU 51 5.022 2.750 -0.425
345 HB3 LEU 51 2HB LEU 51 7.400 1.463 -1.688
346 HG LEU 51 HG LEU 51 4.802 2.679 -2.627
347 HD11 LEU 51 1HD1 LEU 51 7.145 1.721 -4.233
348 HD12 LEU 51 2HD1 LEU 51 6.346 3.300 -4.307
349 HD13 LEU 51 3HD1 LEU 51 5.522 1.873 -4.940
350 HD21 LEU 51 3HD2 LEU 51 4.685 0.303 -1.817
351 HD22 LEU 51 1HD2 LEU 51 5.873 -0.119 -3.102
352 HD23 LEU 51 2HD2 LEU 51 4.253 0.522 -3.516
353 H PHE 52 H PHE 52 4.135 1.110 0.819
354 HA PHE 52 HA PHE 52 6.034 -0.757 2.068
355 HB3 PHE 52 2HB PHE 52 4.181 -1.563 3.340
356 HD1 PHE 52 2HD PHE 52 6.224 -0.110 4.476
357 HD2 PHE 52 1HD PHE 52 2.243 1.287 3.640
358 HE1 PHE 52 2HE PHE 52 6.519 1.751 6.111
359 HE2 PHE 52 1HE PHE 52 2.551 3.173 5.182
360 HZ PHE 52 HZ PHE 52 4.713 3.395 6.469
361 H SER 53 H SER 53 5.658 -2.997 1.859
362 HA SER 53 HA SER 53 3.954 -3.937 -0.385
363 HB3 SER 53 2HB SER 53 6.315 -5.601 0.162
364 HG SER 53 HG SER 53 5.048 -5.501 -1.795
365 H GLU 54 H GLU 54 3.108 -6.119 0.058
366 HA GLU 54 HA GLU 54 2.762 -6.628 2.897
367 HB3 GLU 54 2HB GLU 54 0.969 -6.997 1.172
368 HG3 GLU 54 2HG GLU 54 2.883 -8.819 -0.032
369 H ALA 55 H ALA 55 3.322 -8.799 3.840
370 HA ALA 55 HA ALA 55 5.380 -10.392 2.680
371 HB1 ALA 55 1HB ALA 55 6.005 -8.571 5.059
372 HB2 ALA 55 2HB ALA 55 6.943 -10.025 4.676
373 HB3 ALA 55 3HB ALA 55 6.895 -8.698 3.513
374 H THR 56 H THR 56 6.016 -11.915 4.818
375 HA THR 56 HA THR 56 3.807 -12.119 6.625
376 HB THR 56 HB THR 56 4.248 -14.783 5.419
377 HG1 THR 56 1HG THR 56 3.078 -12.733 3.864
378 HG21 THR 56 3HG2 THR 56 1.808 -14.850 5.560
379 HG22 THR 56 1HG2 THR 56 1.756 -13.094 5.891
380 HG23 THR 56 2HG2 THR 56 2.481 -14.224 7.066
381 H ARG 57 H ARG 57 4.294 -13.776 8.273
382 HA ARG 57 HA ARG 57 7.195 -14.488 8.373
383 HB3 ARG 57 2HB ARG 57 6.659 -12.779 10.045
384 HG3 ARG 57 2HG ARG 57 4.803 -14.892 11.230
385 HD3 ARG 57 2HD ARG 57 4.268 -13.201 12.867
386 HE ARG 57 HE ARG 57 7.080 -14.091 12.756
387 HH11 ARG 57 1HH1 ARG 57 4.601 -12.401 14.674
388 HH12 ARG 57 2HH1 ARG 57 5.367 -12.736 16.188
389 HH21 ARG 57 1HH2 ARG 57 7.923 -14.815 14.742
390 HH22 ARG 57 2HH2 ARG 57 7.176 -14.363 16.218
391 H GLY 58 H GLY 58 7.606 -16.423 9.951
392 HA2 GLY 58 1HA GLY 58 6.392 -18.687 8.821
393 HA3 GLY 58 2HA GLY 58 7.375 -18.654 10.295
394 H ASP 59 H ASP 59 5.368 -16.754 11.589
395 HA ASP 59 HA ASP 59 3.499 -18.637 12.663
396 HB3 ASP 59 2HB ASP 59 3.006 -15.720 12.951
397 H GLY 60 H GLY 60 3.497 -16.827 9.851
398 HA2 GLY 60 1HA GLY 60 1.963 -16.868 8.078
399 HA3 GLY 60 2HA GLY 60 0.665 -17.341 9.170
400 H GLU 61 H GLU 61 2.659 -14.582 10.207
401 HA GLU 61 HA GLU 61 0.128 -13.076 10.236
402 HB3 GLU 61 2HB GLU 61 2.798 -12.281 11.416
403 HG3 GLU 61 2HG GLU 61 -0.002 -11.908 12.482
404 H ARG 62 H ARG 62 -0.250 -11.534 8.663
405 HA ARG 62 HA ARG 62 1.893 -10.846 6.774
406 HB3 ARG 62 2HB ARG 62 -1.050 -10.121 6.936
407 HG3 ARG 62 2HG ARG 62 0.947 -9.424 4.737
408 HD3 ARG 62 2HD ARG 62 -1.254 -8.285 3.857
409 HE ARG 62 HE ARG 62 0.042 -10.265 2.754
410 HH11 ARG 62 1HH1 ARG 62 -3.413 -10.298 3.622
411 HH12 ARG 62 2HH1 ARG 62 -3.776 -11.597 2.488
412 HH21 ARG 62 1HH2 ARG 62 -0.636 -11.490 0.934
413 HH22 ARG 62 2HH2 ARG 62 -2.249 -12.178 0.908
414 H PHE 63 H PHE 63 2.475 -8.609 6.333
415 HA PHE 63 HA PHE 63 1.710 -6.520 8.189
416 HB3 PHE 63 2HB PHE 63 3.363 -7.546 9.613
417 HD1 PHE 63 2HD PHE 63 4.136 -9.823 8.712
418 HD2 PHE 63 1HD PHE 63 6.114 -6.114 7.682
419 HE1 PHE 63 2HE PHE 63 6.217 -11.034 8.260
420 HE2 PHE 63 1HE PHE 63 8.213 -7.377 7.249
421 HZ PHE 63 HZ PHE 63 8.250 -9.837 7.498
422 H TRP 64 H TRP 64 2.598 -4.408 7.577
423 HA TRP 64 HA TRP 64 3.360 -4.267 4.714
424 HB3 TRP 64 2HB TRP 64 3.034 -1.837 5.061
425 HD1 TRP 64 HD TRP 64 0.070 -1.794 6.887
426 HE1 TRP 64 1HE TRP 64 -1.953 -2.843 5.703
427 HE3 TRP 64 3HE TRP 64 2.456 -3.480 2.767
428 HZ2 TRP 64 2HZ TRP 64 -2.411 -4.324 3.319
429 HZ3 TRP 64 3HZ TRP 64 1.203 -4.573 0.971
430 HH2 TRP 64 HH TRP 64 -1.222 -5.118 1.276
431 H MET 65 H MET 65 5.497 -4.580 4.308
432 HA MET 65 HA MET 65 7.505 -3.367 6.187
433 HB3 MET 65 2HB MET 65 7.700 -5.781 5.825
434 HG3 MET 65 2HG MET 65 7.366 -5.115 2.992
435 HE1 MET 65 3HE MET 65 11.085 -7.745 3.892
436 HE2 MET 65 1HE MET 65 10.505 -6.552 5.069
437 HE3 MET 65 2HE MET 65 9.479 -7.941 4.633
438 H GLN 66 H GLN 66 9.580 -2.612 5.036
439 HA GLN 66 HA GLN 66 8.898 -1.108 2.540
440 HB3 GLN 66 2HB GLN 66 10.736 0.448 3.205
441 HG3 GLN 66 2HG GLN 66 8.500 0.457 5.228
442 HE21 GLN 66 1HE2 GLN 66 8.756 2.429 6.439
443 HE22 GLN 66 2HE2 GLN 66 9.714 3.735 5.847
444 HA PRO 67 HA PRO 67 12.355 -3.815 1.179
445 HB3 PRO 67 2HB PRO 67 10.777 -5.376 0.394
446 HG3 PRO 67 2HG PRO 67 8.728 -4.631 -0.532
447 HD3 PRO 67 2HD PRO 67 8.701 -3.814 1.640
448 H VAL 68 H VAL 68 10.719 -1.003 0.099
449 HA VAL 68 HA VAL 68 13.179 -0.213 -1.365
450 HB VAL 68 HB VAL 68 11.551 -0.394 -3.028
451 HG11 VAL 68 1HG1 VAL 68 9.434 0.861 -3.085
452 HG12 VAL 68 2HG1 VAL 68 9.444 -0.377 -1.829
453 HG13 VAL 68 3HG1 VAL 68 9.670 1.329 -1.386
454 HG21 VAL 68 3HG2 VAL 68 11.518 1.875 -3.917
455 HG22 VAL 68 1HG2 VAL 68 11.887 2.531 -2.301
456 HG23 VAL 68 2HG2 VAL 68 13.064 1.508 -3.132
457 H ARG 69 H ARG 69 14.187 0.478 0.356
458 HA ARG 69 HA ARG 69 12.863 2.124 2.447
459 HB3 ARG 69 2HB ARG 69 15.674 0.936 2.374
460 HG3 ARG 69 2HG ARG 69 15.409 2.623 4.196
461 HD3 ARG 69 2HD ARG 69 12.970 0.946 4.806
462 HE ARG 69 HE ARG 69 13.505 0.846 6.962
463 HH11 ARG 69 1HH1 ARG 69 14.573 4.067 5.944
464 HH12 ARG 69 2HH1 ARG 69 15.064 4.547 7.509
465 HH21 ARG 69 1HH2 ARG 69 13.978 1.440 8.954
466 HH22 ARG 69 2HH2 ARG 69 14.489 3.053 9.400
467 H SER 70 H SER 70 12.795 3.470 0.218
468 HA SER 70 HA SER 70 15.109 5.343 0.167
469 HB3 SER 70 2HB SER 70 13.404 4.586 -2.239
470 HG SER 70 HG SER 70 15.619 5.142 -3.145
471 H THR 71 H THR 71 14.311 7.423 -0.934
472 HA THR 71 HA THR 71 11.593 8.176 -0.059
473 HB THR 71 HB THR 71 13.115 8.806 1.619
474 HG1 THR 71 1HG THR 71 12.304 11.181 0.338
475 HG21 THR 71 3HG2 THR 71 15.060 9.087 0.263
476 HG22 THR 71 1HG2 THR 71 14.726 10.613 1.114
477 HG23 THR 71 2HG2 THR 71 14.289 10.429 -0.612
478 H PHE 72 H PHE 72 13.502 7.711 -2.733
479 HA PHE 72 HA PHE 72 12.843 10.202 -4.138
480 HB3 PHE 72 2HB PHE 72 13.765 8.634 -6.098
481 HD1 PHE 72 2HD PHE 72 14.106 11.412 -5.432
482 HD2 PHE 72 1HD PHE 72 16.722 8.041 -4.760
483 HE1 PHE 72 2HE PHE 72 16.033 12.937 -5.286
484 HE2 PHE 72 1HE PHE 72 18.654 9.592 -4.605
485 HZ PHE 72 HZ PHE 72 18.306 12.047 -4.832
486 H GLU 73 H GLU 73 10.758 10.460 -4.650
487 HA GLU 73 HA GLU 73 8.784 8.776 -5.329
488 HB3 GLU 73 2HB GLU 73 8.171 10.906 -5.443
489 HG3 GLU 73 2HG GLU 73 10.713 11.734 -6.333
490 HA PRO 74 HA PRO 74 10.006 7.860 -9.822
491 HB3 PRO 74 2HB PRO 74 11.557 9.341 -10.716
492 HG3 PRO 74 2HG PRO 74 13.382 10.165 -9.385
493 HD3 PRO 74 2HD PRO 74 11.323 10.641 -8.419
494 H ASP 75 H ASP 75 11.981 6.939 -7.103
495 HA ASP 75 HA ASP 75 12.785 4.335 -8.261
496 HB3 ASP 75 2HB ASP 75 13.936 4.018 -6.123
497 H LEU 76 H LEU 76 10.479 5.854 -6.150
498 HA LEU 76 HA LEU 76 9.469 3.406 -4.914
499 HB3 LEU 76 2HB LEU 76 7.739 5.023 -3.975
500 HG LEU 76 HG LEU 76 10.697 5.645 -3.583
501 HD11 LEU 76 1HD1 LEU 76 8.326 6.785 -2.058
502 HD12 LEU 76 2HD1 LEU 76 9.444 7.689 -3.105
503 HD13 LEU 76 3HD1 LEU 76 10.035 6.967 -1.601
504 HD21 LEU 76 3HD2 LEU 76 10.573 4.498 -1.551
505 HD22 LEU 76 1HD2 LEU 76 9.704 3.454 -2.693
506 HD23 LEU 76 2HD2 LEU 76 8.812 4.477 -1.540
507 H ASP 77 H ASP 77 8.195 5.831 -7.343
508 HA ASP 77 HA ASP 77 5.837 4.367 -7.953
509 HB3 ASP 77 2HB ASP 77 6.358 5.554 -10.344
510 H ALA 78 H ALA 78 9.144 4.012 -9.201
511 HA ALA 78 HA ALA 78 8.551 2.134 -11.265
512 HB1 ALA 78 1HB ALA 78 10.654 3.364 -11.170
513 HB2 ALA 78 2HB ALA 78 11.096 2.568 -9.638
514 HB3 ALA 78 3HB ALA 78 10.970 1.620 -11.135
515 H TYR 79 H TYR 79 8.938 1.707 -7.751
516 HA TYR 79 HA TYR 79 9.539 -1.082 -7.712
517 HB3 TYR 79 2HB TYR 79 7.824 0.463 -5.754
518 HD1 TYR 79 1HD TYR 79 6.454 -1.408 -5.159
519 HD2 TYR 79 2HD TYR 79 10.744 -1.661 -4.951
520 HE1 TYR 79 1HE TYR 79 6.263 -3.536 -3.916
521 HE2 TYR 79 2HE TYR 79 10.561 -3.821 -3.711
522 HH TYR 79 HH TYR 79 7.387 -5.101 -2.667
523 H ALA 80 H ALA 80 6.445 0.730 -7.757
524 HA ALA 80 HA ALA 80 4.695 -1.467 -7.542
525 HB1 ALA 80 1HB ALA 80 3.003 0.110 -8.430
526 HB2 ALA 80 2HB ALA 80 4.011 0.876 -7.181
527 HB3 ALA 80 3HB ALA 80 4.294 1.232 -8.894
528 H GLU 81 H GLU 81 6.372 -0.181 -10.426
529 HA GLU 81 HA GLU 81 4.902 -1.961 -12.247
530 HB3 GLU 81 2HB GLU 81 6.700 -1.373 -13.837
531 HG3 GLU 81 2HG GLU 81 5.550 1.148 -12.601
532 H ARG 82 H ARG 82 8.133 -1.846 -10.684
533 HA ARG 82 HA ARG 82 9.092 -4.142 -11.884
534 HB3 ARG 82 2HB ARG 82 9.743 -2.905 -9.196
535 HG3 ARG 82 2HG ARG 82 11.390 -5.020 -10.667
536 HD3 ARG 82 2HD ARG 82 12.471 -4.954 -8.259
537 HE ARG 82 HE ARG 82 13.196 -2.605 -9.883
538 HH11 ARG 82 1HH1 ARG 82 13.961 -5.974 -9.024
539 HH12 ARG 82 2HH1 ARG 82 15.062 -6.245 -10.310
540 HH21 ARG 82 1HH2 ARG 82 15.002 -2.851 -11.417
541 HH22 ARG 82 2HH2 ARG 82 15.638 -4.433 -11.722
542 H ALA 83 H ALA 83 7.249 -3.939 -8.849
543 HA ALA 83 HA ALA 83 7.395 -6.720 -8.224
544 HB1 ALA 83 1HB ALA 83 5.288 -4.606 -7.485
545 HB2 ALA 83 2HB ALA 83 5.507 -6.172 -6.675
546 HB3 ALA 83 3HB ALA 83 6.764 -4.927 -6.565
547 H ALA 84 H ALA 84 5.091 -4.807 -10.132
548 HA ALA 84 HA ALA 84 3.160 -6.955 -10.334
549 HB1 ALA 84 1HB ALA 84 2.007 -5.414 -11.883
550 HB2 ALA 84 2HB ALA 84 2.516 -4.554 -10.415
551 HB3 ALA 84 3HB ALA 84 3.446 -4.372 -11.917
552 H ARG 85 H ARG 85 6.133 -6.662 -11.764
553 HA ARG 85 HA ARG 85 5.329 -7.752 -14.422
554 HB3 ARG 85 2HB ARG 85 7.921 -7.539 -14.722
555 HG3 ARG 85 2HG ARG 85 6.088 -5.144 -14.340
556 HD3 ARG 85 2HD ARG 85 9.032 -5.379 -15.103
557 HE ARG 85 HE ARG 85 8.002 -2.729 -15.392
558 HH11 ARG 85 1HH1 ARG 85 8.234 -5.807 -17.110
559 HH12 ARG 85 2HH1 ARG 85 7.940 -5.121 -18.659
560 HH21 ARG 85 1HH2 ARG 85 7.866 -1.782 -17.455
561 HH22 ARG 85 2HH2 ARG 85 7.978 -2.718 -18.904
562 H ILE 86 H ILE 86 6.155 -8.984 -11.404
563 HA ILE 86 HA ILE 86 6.658 -11.622 -12.709
564 HB ILE 86 HB ILE 86 7.984 -10.891 -10.076
565 HG13 ILE 86 2HG1 ILE 86 8.968 -10.443 -12.888
566 HG21 ILE 86 1HG2 ILE 86 7.594 -13.294 -10.421
567 HG22 ILE 86 2HG2 ILE 86 8.361 -13.214 -12.018
568 HG23 ILE 86 3HG2 ILE 86 9.309 -12.949 -10.538
569 HD11 ILE 86 3HD1 ILE 86 8.761 -8.561 -11.248
570 HD12 ILE 86 1HD1 ILE 86 9.905 -9.381 -10.175
571 HD13 ILE 86 2HD1 ILE 86 10.443 -8.815 -11.760
572 H ASP 87 H ASP 87 5.223 -9.833 -9.921
573 HA ASP 87 HA ASP 87 3.850 -12.125 -8.859
574 HB3 ASP 87 2HB ASP 87 2.203 -10.254 -8.064
575 HA PRO 88 HA PRO 88 1.195 -12.979 -12.070
576 HB3 PRO 88 2HB PRO 88 0.797 -14.954 -10.913
577 HG3 PRO 88 2HG PRO 88 0.396 -14.917 -8.528
578 HD3 PRO 88 2HD PRO 88 2.443 -13.845 -8.906
579 H ASP 89 H ASP 89 -0.400 -11.197 -9.369
580 HA ASP 89 HA ASP 89 -1.721 -9.352 -11.050
581 HB3 ASP 89 2HB ASP 89 -3.932 -10.215 -9.786
582 H ILE 90 H ILE 90 -0.758 -7.885 -9.638
583 HA ILE 90 HA ILE 90 -1.324 -8.101 -6.722
584 HB ILE 90 HB ILE 90 0.988 -8.242 -7.156
585 HG13 ILE 90 2HG1 ILE 90 0.143 -6.635 -5.317
586 HG21 ILE 90 1HG2 ILE 90 1.187 -7.367 -9.414
587 HG22 ILE 90 2HG2 ILE 90 0.763 -5.727 -8.866
588 HG23 ILE 90 3HG2 ILE 90 2.286 -6.484 -8.359
589 HD11 ILE 90 3HD1 ILE 90 2.982 -6.166 -6.249
590 HD12 ILE 90 1HD1 ILE 90 2.320 -6.049 -4.601
591 HD13 ILE 90 2HD1 ILE 90 2.420 -7.621 -5.393
592 H TRP 91 H TRP 91 -1.922 -6.172 -5.599
593 HA TRP 91 HA TRP 91 -3.379 -4.165 -7.249
594 HB3 TRP 91 2HB TRP 91 -4.389 -3.564 -5.046
595 HD1 TRP 91 HD TRP 91 -4.073 -7.429 -5.469
596 HE1 TRP 91 1HE TRP 91 -6.407 -8.404 -5.805
597 HE3 TRP 91 3HE TRP 91 -6.741 -3.158 -5.163
598 HZ2 TRP 91 2HZ TRP 91 -9.129 -7.377 -6.148
599 HZ3 TRP 91 3HZ TRP 91 -9.230 -3.135 -5.470
600 HH2 TRP 91 HH TRP 91 -10.396 -5.231 -5.968
601 H VAL 92 H VAL 92 -2.885 -1.968 -7.020
602 HA VAL 92 HA VAL 92 -0.445 -1.265 -5.436
603 HB VAL 92 HB VAL 92 -1.323 -0.247 -8.163
604 HG11 VAL 92 1HG1 VAL 92 1.157 0.474 -6.539
605 HG12 VAL 92 2HG1 VAL 92 0.784 0.999 -8.205
606 HG13 VAL 92 3HG1 VAL 92 -0.229 1.533 -6.862
607 HG21 VAL 92 3HG2 VAL 92 0.661 -1.246 -9.073
608 HG22 VAL 92 1HG2 VAL 92 1.169 -1.859 -7.478
609 HG23 VAL 92 2HG2 VAL 92 -0.258 -2.522 -8.269
610 H VAL 93 H VAL 93 -1.305 -0.186 -3.667
611 HA VAL 93 HA VAL 93 -3.659 1.563 -4.109
612 HB VAL 93 HB VAL 93 -2.584 0.647 -1.423
613 HG11 VAL 93 1HG1 VAL 93 -4.305 2.486 -1.631
614 HG12 VAL 93 2HG1 VAL 93 -5.385 1.303 -2.392
615 HG13 VAL 93 3HG1 VAL 93 -4.865 1.083 -0.710
616 HG21 VAL 93 3HG2 VAL 93 -3.033 -1.467 -2.667
617 HG22 VAL 93 1HG2 VAL 93 -4.225 -1.182 -1.402
618 HG23 VAL 93 2HG2 VAL 93 -4.639 -0.863 -3.105
619 H GLU 94 H GLU 94 -3.214 3.733 -4.246
620 HA GLU 94 HA GLU 94 -0.604 4.717 -3.209
621 HB3 GLU 94 2HB GLU 94 -0.589 6.292 -5.030
622 HG3 GLU 94 2HG GLU 94 -1.186 3.621 -6.336
623 H ILE 95 H ILE 95 -0.973 5.852 -1.398
624 HA ILE 95 HA ILE 95 -3.445 7.443 -1.043
625 HB ILE 95 HB ILE 95 -1.409 6.277 0.918
626 HG13 ILE 95 2HG1 ILE 95 -4.371 5.742 0.470
627 HG21 ILE 95 1HG2 ILE 95 -2.125 8.553 1.635
628 HG22 ILE 95 2HG2 ILE 95 -3.778 7.906 1.762
629 HG23 ILE 95 3HG2 ILE 95 -2.489 7.246 2.751
630 HD11 ILE 95 3HD1 ILE 95 -3.752 3.362 0.614
631 HD12 ILE 95 1HD1 ILE 95 -2.935 4.132 -0.751
632 HD13 ILE 95 2HD1 ILE 95 -2.045 3.796 0.753
633 H GLU 96 H GLU 96 -3.211 9.681 -1.244
634 HA GLU 96 HA GLU 96 -0.477 10.882 -1.077
635 HB3 GLU 96 2HB GLU 96 -1.909 12.791 -2.266
636 HG3 GLU 96 2HG GLU 96 -0.750 10.665 -4.075
637 H ASP 97 H ASP 97 -0.402 11.524 1.079
638 HA ASP 97 HA ASP 97 -2.756 13.016 2.125
639 HB3 ASP 97 2HB ASP 97 -2.048 12.412 4.338
640 H ARG 98 H ARG 98 -1.949 14.709 3.783
641 HA ARG 98 HA ARG 98 0.396 16.175 2.711
642 HB3 ARG 98 2HB ARG 98 -0.245 17.734 4.659
643 HG3 ARG 98 2HG ARG 98 -2.394 17.056 2.609
644 HD3 ARG 98 2HD ARG 98 -1.630 19.660 3.975
645 HE ARG 98 HE ARG 98 -2.990 19.114 1.483
646 HH11 ARG 98 1HH1 ARG 98 -3.148 21.328 4.256
647 HH12 ARG 98 2HH1 ARG 98 -3.781 22.624 3.281
648 HH21 ARG 98 1HH2 ARG 98 -3.548 21.048 0.201
649 HH22 ARG 98 2HH2 ARG 98 -3.790 22.530 1.073
650 H ASP 99 H ASP 99 -0.438 14.829 5.921
651 HA ASP 99 HA ASP 99 2.184 15.457 6.842
652 HB3 ASP 99 2HB ASP 99 0.226 13.737 8.386
653 H GLY 100 H GLY 100 1.970 13.119 4.795
654 HA2 GLY 100 1HA GLY 100 3.038 11.095 4.471
655 HA3 GLY 100 2HA GLY 100 3.969 11.439 5.929
656 H ARG 101 H ARG 101 0.451 11.160 5.761
657 HA ARG 101 HA ARG 101 0.313 9.185 7.913
658 HB3 ARG 101 2HB ARG 101 -2.219 9.314 6.949
659 HG3 ARG 101 2HG ARG 101 -1.582 11.902 8.216
660 HD3 ARG 101 2HD ARG 101 -3.164 9.407 8.896
661 HE ARG 101 HE ARG 101 -2.899 9.944 11.045
662 HH11 ARG 101 1HH1 ARG 101 -3.470 13.091 9.522
663 HH12 ARG 101 2HH1 ARG 101 -2.657 13.981 10.788
664 HH21 ARG 101 1HH2 ARG 101 -1.558 11.058 12.445
665 HH22 ARG 101 2HH2 ARG 101 -1.401 12.771 12.328
666 H HIS 102 H HIS 102 -1.407 7.401 7.312
667 HA HIS 102 HA HIS 102 -0.770 6.133 4.712
668 HB3 HIS 102 2HB HIS 102 0.770 4.939 6.089
669 HD1 HIS 102 1HD HIS 102 -2.006 3.372 8.320
670 HD2 HIS 102 2HD HIS 102 1.278 6.013 8.444
671 HE1 HIS 102 1HE HIS 102 -1.416 3.612 10.727
672 H PHE 103 H PHE 103 -2.806 6.459 7.577
673 HA PHE 103 HA PHE 103 -4.922 6.142 8.061
674 HB3 PHE 103 2HB PHE 103 -6.608 5.865 6.132
675 HD1 PHE 103 1HD PHE 103 -7.353 7.609 7.763
676 HD2 PHE 103 2HD PHE 103 -4.259 8.397 4.842
677 HE1 PHE 103 1HE PHE 103 -7.688 10.042 8.068
678 HE2 PHE 103 2HE PHE 103 -4.631 10.816 5.131
679 HZ PHE 103 HZ PHE 103 -6.340 11.657 6.744
680 H LEU 104 H LEU 104 -3.116 3.813 6.537
681 HA LEU 104 HA LEU 104 -4.815 1.605 6.645
682 HB3 LEU 104 2HB LEU 104 -2.165 2.065 5.780
683 HG LEU 104 HG LEU 104 -1.399 1.371 8.141
684 HD11 LEU 104 1HD1 LEU 104 -3.062 -0.679 7.621
685 HD12 LEU 104 2HD1 LEU 104 -1.400 -1.132 8.103
686 HD13 LEU 104 3HD1 LEU 104 -2.021 -1.053 6.397
687 HD21 LEU 104 3HD2 LEU 104 0.125 1.889 6.245
688 HD22 LEU 104 1HD2 LEU 104 -0.362 0.436 5.372
689 HD23 LEU 104 2HD2 LEU 104 0.590 0.321 6.839
690 H THR 105 H THR 105 -4.918 -0.215 8.190
691 HA THR 105 HA THR 105 -4.691 0.693 11.007
692 HB THR 105 HB THR 105 -6.857 1.087 9.728
693 HG1 THR 105 1HG THR 105 -6.999 -0.435 12.100
694 HG21 THR 105 3HG2 THR 105 -7.326 -1.899 10.062
695 HG22 THR 105 1HG2 THR 105 -7.010 -1.073 8.523
696 HG23 THR 105 2HG2 THR 105 -8.454 -0.681 9.468
697 H GLU 106 H GLU 106 -2.850 -1.030 9.605
698 HA GLU 106 HA GLU 106 -3.163 -3.664 10.914
699 HB3 GLU 106 2HB GLU 106 -2.294 -4.676 8.731
700 HG3 GLU 106 2HG GLU 106 -4.939 -3.140 8.517
701 HA PRO 107 HA PRO 107 0.928 -2.824 12.212
702 HB3 PRO 107 2HB PRO 107 1.109 -4.916 13.145
703 HG3 PRO 107 2HG PRO 107 0.340 -6.856 11.986
704 HD3 PRO 107 2HD PRO 107 -1.477 -5.321 11.976
705 H VAL 108 H VAL 108 2.997 -2.102 11.608
706 HA VAL 108 HA VAL 108 3.720 -2.259 8.750
707 HB VAL 108 HB VAL 108 3.527 0.390 10.216
708 HG11 VAL 108 1HG1 VAL 108 3.720 1.338 7.975
709 HG12 VAL 108 2HG1 VAL 108 5.096 0.274 8.281
710 HG13 VAL 108 3HG1 VAL 108 3.776 -0.282 7.251
711 HG21 VAL 108 3HG2 VAL 108 1.466 -0.907 8.428
712 HG22 VAL 108 1HG2 VAL 108 1.280 -0.295 10.078
713 HG23 VAL 108 2HG2 VAL 108 1.529 0.856 8.778
714 H GLU 109 H GLU 109 5.690 -2.834 8.676
715 HA GLU 109 HA GLU 109 7.709 -2.763 10.806
716 HB3 GLU 109 2HB GLU 109 8.687 -3.575 8.224
717 HG3 GLU 109 2HG GLU 109 7.772 -5.901 9.583
718 H SER 110 H SER 110 9.988 -2.245 9.452
719 HA SER 110 HA SER 110 9.821 0.251 8.041
720 HB3 SER 110 2HB SER 110 11.019 0.332 10.845
721 HG SER 110 HG SER 110 11.774 1.645 9.162
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -13.721 -14.939 14.575
2 HA2 GLY 1 1HA GLY 1 -11.526 -14.468 13.544
3 HA3 GLY 1 2HA GLY 1 -11.828 -15.843 12.477
4 H MET 2 H MET 2 -11.928 -14.662 10.471
5 HA MET 2 HA MET 2 -14.549 -13.714 9.945
6 HB3 MET 2 2HB MET 2 -12.685 -11.749 8.764
7 HG3 MET 2 2HG MET 2 -15.190 -11.625 8.697
8 HE1 MET 2 3HE MET 2 -17.636 -11.322 9.637
9 HE2 MET 2 1HE MET 2 -17.916 -10.443 11.156
10 HE3 MET 2 2HE MET 2 -16.999 -9.675 9.838
11 H LEU 3 H LEU 3 -14.449 -12.967 7.451
12 HA LEU 3 HA LEU 3 -12.811 -14.911 5.926
13 HB3 LEU 3 2HB LEU 3 -15.824 -14.673 5.644
14 HG LEU 3 HG LEU 3 -15.742 -17.013 4.953
15 HD11 LEU 3 1HD1 LEU 3 -15.577 -15.240 3.228
16 HD12 LEU 3 2HD1 LEU 3 -14.872 -16.769 2.735
17 HD13 LEU 3 3HD1 LEU 3 -13.793 -15.456 3.239
18 HD21 LEU 3 3HD2 LEU 3 -12.696 -16.835 4.978
19 HD22 LEU 3 1HD2 LEU 3 -13.705 -18.217 4.535
20 HD23 LEU 3 2HD2 LEU 3 -13.682 -17.648 6.212
21 H LEU 4 H LEU 4 -12.001 -12.570 5.843
22 HA LEU 4 HA LEU 4 -13.318 -10.706 3.994
23 HB3 LEU 4 2HB LEU 4 -11.179 -9.393 4.340
24 HG LEU 4 HG LEU 4 -13.012 -10.267 6.546
25 HD11 LEU 4 1HD1 LEU 4 -10.513 -8.777 7.368
26 HD12 LEU 4 2HD1 LEU 4 -10.767 -10.521 7.633
27 HD13 LEU 4 3HD1 LEU 4 -11.852 -9.326 8.366
28 HD21 LEU 4 3HD2 LEU 4 -11.983 -7.554 5.620
29 HD22 LEU 4 1HD2 LEU 4 -13.182 -7.824 6.899
30 HD23 LEU 4 2HD2 LEU 4 -13.549 -8.315 5.245
31 H SER 5 H SER 5 -11.645 -9.776 2.131
32 HA SER 5 HA SER 5 -9.915 -11.843 1.042
33 HB3 SER 5 2HB SER 5 -10.828 -12.014 -1.072
34 HG SER 5 HG SER 5 -12.435 -12.617 0.689
35 H THR 6 H THR 6 -8.681 -10.780 -0.955
36 HA THR 6 HA THR 6 -7.347 -8.535 -0.091
37 HB THR 6 HB THR 6 -7.596 -9.561 -2.952
38 HG1 THR 6 1HG THR 6 -5.469 -10.464 -2.103
39 HG21 THR 6 3HG2 THR 6 -6.543 -7.304 -2.712
40 HG22 THR 6 1HG2 THR 6 -5.332 -8.529 -3.117
41 HG23 THR 6 2HG2 THR 6 -5.492 -7.963 -1.442
42 H ASP 7 H ASP 7 -10.058 -8.708 -2.465
43 HA ASP 7 HA ASP 7 -9.998 -5.916 -3.033
44 HB3 ASP 7 2HB ASP 7 -11.123 -7.667 -4.445
45 H ILE 8 H ILE 8 -11.811 -7.833 -0.677
46 HA ILE 8 HA ILE 8 -13.537 -5.936 0.329
47 HB ILE 8 HB ILE 8 -12.182 -8.022 2.037
48 HG13 ILE 8 2HG1 ILE 8 -14.056 -9.456 1.499
49 HG21 ILE 8 1HG2 ILE 8 -13.347 -6.585 3.451
50 HG22 ILE 8 2HG2 ILE 8 -14.684 -6.360 2.289
51 HG23 ILE 8 3HG2 ILE 8 -14.482 -7.915 3.161
52 HD11 ILE 8 3HD1 ILE 8 -15.767 -7.856 0.739
53 HD12 ILE 8 1HD1 ILE 8 -14.795 -7.542 -0.724
54 HD13 ILE 8 2HD1 ILE 8 -15.469 -9.156 -0.427
55 H TRP 9 H TRP 9 -10.117 -6.520 1.364
56 HA TRP 9 HA TRP 9 -10.225 -4.526 3.440
57 HB3 TRP 9 2HB TRP 9 -7.796 -4.676 3.460
58 HD1 TRP 9 HD TRP 9 -9.774 -6.079 5.340
59 HE1 TRP 9 1HE TRP 9 -9.297 -8.450 6.203
60 HE3 TRP 9 3HE TRP 9 -6.645 -7.606 1.665
61 HZ2 TRP 9 2HZ TRP 9 -8.013 -10.874 5.174
62 HZ3 TRP 9 3HZ TRP 9 -5.885 -10.005 1.533
63 HH2 TRP 9 HH TRP 9 -6.606 -11.611 3.264
64 H VAL 10 H VAL 10 -8.921 -4.470 0.085
65 HA VAL 10 HA VAL 10 -8.010 -1.799 0.145
66 HB VAL 10 HB VAL 10 -9.059 -3.521 -2.148
67 HG11 VAL 10 1HG1 VAL 10 -9.167 -1.220 -2.928
68 HG12 VAL 10 2HG1 VAL 10 -7.539 -0.886 -2.301
69 HG13 VAL 10 3HG1 VAL 10 -7.770 -1.997 -3.657
70 HG21 VAL 10 3HG2 VAL 10 -6.697 -3.919 -2.663
71 HG22 VAL 10 1HG2 VAL 10 -6.198 -2.860 -1.328
72 HG23 VAL 10 2HG2 VAL 10 -7.023 -4.409 -1.008
73 H ALA 11 H ALA 11 -11.285 -3.101 -0.421
74 HA ALA 11 HA ALA 11 -12.494 -0.716 -1.179
75 HB1 ALA 11 1HB ALA 11 -13.761 -2.892 0.596
76 HB2 ALA 11 2HB ALA 11 -14.595 -1.733 -0.452
77 HB3 ALA 11 3HB ALA 11 -13.575 -3.003 -1.158
78 H ALA 12 H ALA 12 -12.279 -2.007 2.180
79 HA ALA 12 HA ALA 12 -13.565 0.288 3.321
80 HB1 ALA 12 1HB ALA 12 -12.706 -0.562 5.487
81 HB2 ALA 12 2HB ALA 12 -13.497 -1.825 4.541
82 HB3 ALA 12 3HB ALA 12 -11.711 -1.746 4.618
83 H LEU 13 H LEU 13 -10.116 -0.569 3.011
84 HA LEU 13 HA LEU 13 -9.086 1.645 4.428
85 HB3 LEU 13 2HB LEU 13 -7.975 -0.224 2.337
86 HG LEU 13 HG LEU 13 -6.744 1.894 2.204
87 HD11 LEU 13 1HD1 LEU 13 -6.393 1.506 5.244
88 HD12 LEU 13 2HD1 LEU 13 -7.083 2.927 4.433
89 HD13 LEU 13 3HD1 LEU 13 -5.365 2.586 4.294
90 HD21 LEU 13 3HD2 LEU 13 -4.542 0.931 2.551
91 HD22 LEU 13 1HD2 LEU 13 -5.617 -0.432 2.237
92 HD23 LEU 13 2HD2 LEU 13 -5.119 -0.088 3.890
93 H ILE 14 H ILE 14 -9.687 1.371 0.825
94 HA ILE 14 HA ILE 14 -8.872 4.032 0.246
95 HB ILE 14 HB ILE 14 -10.806 2.107 -0.952
96 HG13 ILE 14 2HG1 ILE 14 -9.227 1.948 -2.733
97 HG21 ILE 14 1HG2 ILE 14 -11.915 4.151 -1.523
98 HG22 ILE 14 2HG2 ILE 14 -10.396 4.970 -1.912
99 HG23 ILE 14 3HG2 ILE 14 -10.995 3.667 -2.956
100 HD11 ILE 14 3HD1 ILE 14 -8.415 4.392 -2.751
101 HD12 ILE 14 1HD1 ILE 14 -7.457 3.997 -1.313
102 HD13 ILE 14 2HD1 ILE 14 -7.136 3.156 -2.822
103 H ARG 15 H ARG 15 -11.928 2.797 1.376
104 HA ARG 15 HA ARG 15 -13.323 5.334 1.251
105 HB3 ARG 15 2HB ARG 15 -15.033 4.397 2.721
106 HG3 ARG 15 2HG ARG 15 -14.726 1.841 1.479
107 HD3 ARG 15 2HD ARG 15 -16.219 3.243 -0.382
108 HE ARG 15 HE ARG 15 -17.902 2.498 1.756
109 HH11 ARG 15 1HH1 ARG 15 -15.769 1.089 -0.814
110 HH12 ARG 15 2HH1 ARG 15 -16.609 -0.432 -0.738
111 HH21 ARG 15 1HH2 ARG 15 -18.894 0.466 1.753
112 HH22 ARG 15 2HH2 ARG 15 -18.329 -0.813 0.720
113 H ARG 16 H ARG 16 -11.543 3.765 3.933
114 HA ARG 16 HA ARG 16 -11.995 5.679 5.945
115 HB3 ARG 16 2HB ARG 16 -9.727 4.830 6.825
116 HG3 ARG 16 2HG ARG 16 -12.075 3.031 6.184
117 HD3 ARG 16 2HD ARG 16 -9.406 2.165 7.372
118 HE ARG 16 HE ARG 16 -11.737 0.381 7.466
119 HH11 ARG 16 1HH1 ARG 16 -9.687 2.593 9.388
120 HH12 ARG 16 2HH1 ARG 16 -10.495 2.141 10.851
121 HH21 ARG 16 1HH2 ARG 16 -12.301 -0.535 9.441
122 HH22 ARG 16 2HH2 ARG 16 -11.640 -0.019 10.933
123 H ALA 17 H ALA 17 -9.403 5.690 3.437
124 HA ALA 17 HA ALA 17 -8.165 8.075 4.497
125 HB1 ALA 17 1HB ALA 17 -7.006 8.168 2.313
126 HB2 ALA 17 2HB ALA 17 -6.916 6.556 3.040
127 HB3 ALA 17 3HB ALA 17 -8.071 6.884 1.704
128 H GLU 18 H GLU 18 -10.434 7.486 1.769
129 HA GLU 18 HA GLU 18 -10.612 10.235 1.022
130 HB3 GLU 18 2HB GLU 18 -12.759 9.319 -0.109
131 HG3 GLU 18 2HG GLU 18 -10.194 7.855 -0.907
132 H LEU 19 H LEU 19 -12.306 8.416 3.596
133 HA LEU 19 HA LEU 19 -14.320 10.334 4.120
134 HB3 LEU 19 2HB LEU 19 -13.428 9.183 6.569
135 HG LEU 19 HG LEU 19 -15.696 9.432 5.731
136 HD11 LEU 19 1HD1 LEU 19 -15.176 6.912 4.072
137 HD12 LEU 19 2HD1 LEU 19 -15.398 8.528 3.394
138 HD13 LEU 19 3HD1 LEU 19 -16.727 7.754 4.262
139 HD21 LEU 19 3HD2 LEU 19 -16.509 7.246 6.671
140 HD22 LEU 19 1HD2 LEU 19 -15.174 7.933 7.627
141 HD23 LEU 19 2HD2 LEU 19 -14.850 6.606 6.485
142 H GLY 20 H GLY 20 -10.949 10.315 4.857
143 HA2 GLY 20 1HA GLY 20 -11.052 12.598 6.745
144 HA3 GLY 20 2HA GLY 20 -9.594 11.850 6.062
145 H GLY 21 H GLY 21 -11.275 12.107 3.354
146 HA2 GLY 21 1HA GLY 21 -11.216 13.469 1.558
147 HA3 GLY 21 2HA GLY 21 -11.074 14.877 2.625
148 H ALA 22 H ALA 22 -9.279 12.195 1.173
149 HA ALA 22 HA ALA 22 -6.943 13.977 0.805
150 HB1 ALA 22 1HB ALA 22 -6.352 12.372 2.589
151 HB2 ALA 22 2HB ALA 22 -6.793 11.012 1.527
152 HB3 ALA 22 3HB ALA 22 -5.427 12.078 1.134
153 H PHE 23 H PHE 23 -5.528 12.240 -0.935
154 HA PHE 23 HA PHE 23 -7.584 11.453 -2.960
155 HB3 PHE 23 2HB PHE 23 -4.773 12.287 -3.745
156 HD1 PHE 23 1HD PHE 23 -5.238 10.087 -5.172
157 HD2 PHE 23 2HD PHE 23 -7.457 13.754 -5.569
158 HE1 PHE 23 1HE PHE 23 -6.093 9.325 -7.366
159 HE2 PHE 23 2HE PHE 23 -8.319 12.990 -7.765
160 HZ PHE 23 HZ PHE 23 -7.660 10.762 -8.650
161 H ALA 24 H ALA 24 -7.843 9.406 -2.497
162 HA ALA 24 HA ALA 24 -5.478 7.624 -2.360
163 HB1 ALA 24 1HB ALA 24 -6.810 6.132 -0.941
164 HB2 ALA 24 2HB ALA 24 -6.522 7.686 -0.138
165 HB3 ALA 24 3HB ALA 24 -8.106 7.331 -0.858
166 H THR 25 H THR 25 -5.702 5.777 -3.679
167 HA THR 25 HA THR 25 -8.205 5.209 -4.943
168 HB THR 25 HB THR 25 -7.414 7.177 -6.276
169 HG1 THR 25 1HG THR 25 -8.395 6.340 -7.875
170 HG21 THR 25 3HG2 THR 25 -5.403 5.183 -7.377
171 HG22 THR 25 1HG2 THR 25 -5.001 6.593 -6.365
172 HG23 THR 25 2HG2 THR 25 -5.716 6.829 -7.973
173 H VAL 26 H VAL 26 -7.968 3.400 -6.432
174 HA VAL 26 HA VAL 26 -5.784 1.569 -5.614
175 HB VAL 26 HB VAL 26 -8.009 0.802 -4.938
176 HG11 VAL 26 1HG1 VAL 26 -8.732 0.653 -7.890
177 HG12 VAL 26 2HG1 VAL 26 -9.678 0.020 -6.531
178 HG13 VAL 26 3HG1 VAL 26 -9.445 1.767 -6.703
179 HG21 VAL 26 3HG2 VAL 26 -6.624 -0.767 -7.115
180 HG22 VAL 26 1HG2 VAL 26 -6.303 -0.820 -5.373
181 HG23 VAL 26 2HG2 VAL 26 -7.843 -1.433 -6.024
182 H ALA 27 H ALA 27 -4.400 1.066 -7.158
183 HA ALA 27 HA ALA 27 -4.676 2.371 -9.821
184 HB1 ALA 27 1HB ALA 27 -3.253 3.577 -8.225
185 HB2 ALA 27 2HB ALA 27 -2.311 2.100 -7.913
186 HB3 ALA 27 3HB ALA 27 -2.261 2.854 -9.511
187 H ARG 28 H ARG 28 -4.991 -0.583 -8.794
188 HA ARG 28 HA ARG 28 -4.033 -1.757 -11.216
189 HB3 ARG 28 2HB ARG 28 -3.404 -3.639 -9.073
190 HG3 ARG 28 2HG ARG 28 -2.703 -3.757 -11.532
191 HD3 ARG 28 2HD ARG 28 -0.077 -2.654 -10.957
192 HE ARG 28 HE ARG 28 -1.727 -2.838 -13.185
193 HH11 ARG 28 1HH1 ARG 28 0.302 -0.255 -11.824
194 HH12 ARG 28 2HH1 ARG 28 1.191 -0.001 -13.284
195 HH21 ARG 28 1HH2 ARG 28 -0.760 -2.271 -15.177
196 HH22 ARG 28 2HH2 ARG 28 0.315 -0.904 -15.278
197 H LYS 29 H LYS 29 -5.089 -4.143 -11.193
198 HA LYS 29 HA LYS 29 -7.127 -4.344 -9.079
199 HB3 LYS 29 2HB LYS 29 -7.680 -4.576 -12.064
200 HG3 LYS 29 2HG LYS 29 -9.127 -5.647 -9.694
201 HD3 LYS 29 2HD LYS 29 -11.381 -5.159 -10.699
202 HE3 LYS 29 2HE LYS 29 -11.585 -2.816 -9.878
203 HZ1 LYS 29 3HZ LYS 29 -10.963 -3.220 -7.668
204 HZ2 LYS 29 1HZ LYS 29 -9.820 -4.328 -8.073
205 HZ3 LYS 29 2HZ LYS 29 -11.415 -4.676 -8.265
206 H GLY 30 H GLY 30 -5.618 -5.697 -8.168
207 HA2 GLY 30 1HA GLY 30 -4.620 -8.061 -9.440
208 HA3 GLY 30 2HA GLY 30 -4.558 -7.683 -7.748
209 H ASP 31 H ASP 31 -5.060 -10.142 -7.945
210 HA ASP 31 HA ASP 31 -7.752 -10.907 -8.647
211 HB3 ASP 31 2HB ASP 31 -6.294 -12.457 -6.562
212 H ALA 32 H ALA 32 -9.633 -10.742 -7.413
213 HA ALA 32 HA ALA 32 -9.627 -9.213 -5.013
214 HB1 ALA 32 1HB ALA 32 -11.990 -9.915 -4.839
215 HB2 ALA 32 2HB ALA 32 -11.590 -9.335 -6.460
216 HB3 ALA 32 3HB ALA 32 -11.739 -11.089 -6.152
217 H ARG 33 H ARG 33 -9.131 -12.637 -5.498
218 HA ARG 33 HA ARG 33 -9.492 -13.129 -2.564
219 HB3 ARG 33 2HB ARG 33 -9.636 -15.578 -3.616
220 HG3 ARG 33 2HG ARG 33 -11.757 -13.443 -3.444
221 HD3 ARG 33 2HD ARG 33 -13.317 -15.555 -3.815
222 HE ARG 33 HE ARG 33 -12.278 -14.428 -6.352
223 HH11 ARG 33 1HH1 ARG 33 -14.418 -13.827 -3.569
224 HH12 ARG 33 2HH1 ARG 33 -15.589 -12.939 -4.452
225 HH21 ARG 33 1HH2 ARG 33 -13.833 -13.303 -7.535
226 HH22 ARG 33 2HH2 ARG 33 -15.247 -12.618 -6.813
227 H ALA 34 H ALA 34 -7.280 -13.693 -5.339
228 HA ALA 34 HA ALA 34 -5.261 -14.609 -3.359
229 HB1 ALA 34 1HB ALA 34 -5.644 -15.686 -6.184
230 HB2 ALA 34 2HB ALA 34 -4.489 -16.270 -4.970
231 HB3 ALA 34 3HB ALA 34 -6.221 -16.502 -4.712
232 H GLY 35 H GLY 35 -5.570 -11.905 -4.229
233 HA2 GLY 35 1HA GLY 35 -3.158 -11.549 -5.943
234 HA3 GLY 35 2HA GLY 35 -4.438 -10.373 -5.747
235 H ALA 36 H ALA 36 -1.561 -10.371 -5.253
236 HA ALA 36 HA ALA 36 -1.149 -9.924 -2.331
237 HB1 ALA 36 1HB ALA 36 1.131 -9.178 -3.030
238 HB2 ALA 36 2HB ALA 36 0.754 -10.795 -3.626
239 HB3 ALA 36 3HB ALA 36 0.678 -9.401 -4.730
240 H VAL 37 H VAL 37 -0.319 -7.707 -1.624
241 HA VAL 37 HA VAL 37 -1.603 -5.479 -3.144
242 HB VAL 37 HB VAL 37 -1.523 -5.819 -0.117
243 HG11 VAL 37 1HG1 VAL 37 -1.814 -3.467 -0.872
244 HG12 VAL 37 2HG1 VAL 37 -3.175 -3.957 -1.898
245 HG13 VAL 37 3HG1 VAL 37 -3.284 -4.078 -0.129
246 HG21 VAL 37 3HG2 VAL 37 -2.966 -7.596 -0.936
247 HG22 VAL 37 1HG2 VAL 37 -3.967 -6.320 -0.250
248 HG23 VAL 37 2HG2 VAL 37 -3.803 -6.457 -2.019
249 H LEU 38 H LEU 38 -0.565 -3.512 -3.099
250 HA LEU 38 HA LEU 38 1.872 -3.174 -1.440
251 HB3 LEU 38 2HB LEU 38 2.376 -1.347 -3.280
252 HG LEU 38 HG LEU 38 2.769 -4.305 -3.795
253 HD11 LEU 38 1HD1 LEU 38 2.819 -3.130 -5.911
254 HD12 LEU 38 2HD1 LEU 38 4.478 -3.551 -5.450
255 HD13 LEU 38 3HD1 LEU 38 3.895 -1.878 -5.261
256 HD21 LEU 38 3HD2 LEU 38 4.845 -2.210 -3.034
257 HD22 LEU 38 1HD2 LEU 38 4.952 -4.001 -3.009
258 HD23 LEU 38 2HD2 LEU 38 3.952 -3.154 -1.832
259 H VAL 39 H VAL 39 2.050 -1.140 -0.497
260 HA VAL 39 HA VAL 39 -0.232 0.736 -0.780
261 HB VAL 39 HB VAL 39 1.159 -0.317 1.718
262 HG11 VAL 39 1HG1 VAL 39 -0.041 1.473 2.990
263 HG12 VAL 39 2HG1 VAL 39 1.213 2.118 1.944
264 HG13 VAL 39 3HG1 VAL 39 -0.493 2.238 1.456
265 HG21 VAL 39 3HG2 VAL 39 -1.020 -0.900 2.443
266 HG22 VAL 39 1HG2 VAL 39 -1.808 0.115 1.206
267 HG23 VAL 39 2HG2 VAL 39 -0.982 -1.398 0.762
268 H LYS 40 H LYS 40 0.512 2.771 -1.285
269 HA LYS 40 HA LYS 40 3.370 3.389 -0.677
270 HB3 LYS 40 2HB LYS 40 1.816 3.706 -3.275
271 HG3 LYS 40 2HG LYS 40 4.415 5.022 -2.347
272 HD3 LYS 40 2HD LYS 40 3.311 4.440 -5.097
273 HE3 LYS 40 2HE LYS 40 5.029 6.775 -4.197
274 HZ1 LYS 40 3HZ LYS 40 4.516 5.606 -6.814
275 HZ2 LYS 40 1HZ LYS 40 5.630 6.757 -6.353
276 HZ3 LYS 40 2HZ LYS 40 4.074 7.149 -6.739
277 H ALA 41 H ALA 41 3.537 5.714 -0.100
278 HA ALA 41 HA ALA 41 1.062 7.202 0.174
279 HB1 ALA 41 1HB ALA 41 1.194 5.928 2.373
280 HB2 ALA 41 2HB ALA 41 2.732 6.779 2.706
281 HB3 ALA 41 3HB ALA 41 1.242 7.682 2.518
282 H VAL 42 H VAL 42 1.459 9.359 -0.088
283 HA VAL 42 HA VAL 42 4.301 10.170 -0.449
284 HB VAL 42 HB VAL 42 1.974 10.661 -2.342
285 HG11 VAL 42 1HG1 VAL 42 4.984 11.143 -2.578
286 HG12 VAL 42 2HG1 VAL 42 3.816 11.377 -3.889
287 HG13 VAL 42 3HG1 VAL 42 3.740 12.408 -2.433
288 HG21 VAL 42 3HG2 VAL 42 4.378 8.763 -2.657
289 HG22 VAL 42 1HG2 VAL 42 2.703 8.249 -2.418
290 HG23 VAL 42 2HG2 VAL 42 3.146 9.099 -3.895
291 H ASP 43 H ASP 43 4.717 11.825 0.750
292 HA ASP 43 HA ASP 43 2.604 13.452 1.987
293 HB3 ASP 43 2HB ASP 43 5.606 13.726 2.248
294 H ARG 44 H ARG 44 1.861 15.218 1.059
295 HA ARG 44 HA ARG 44 3.273 16.504 -1.189
296 HB3 ARG 44 2HB ARG 44 1.059 17.719 -1.418
297 HG3 ARG 44 2HG ARG 44 -0.261 15.681 -2.072
298 HD3 ARG 44 2HD ARG 44 1.369 14.763 -3.733
299 HE ARG 44 HE ARG 44 0.393 17.340 -3.678
300 HH11 ARG 44 1HH1 ARG 44 3.361 15.857 -5.095
301 HH12 ARG 44 2HH1 ARG 44 3.492 17.037 -6.327
302 HH21 ARG 44 1HH2 ARG 44 0.510 18.746 -5.447
303 HH22 ARG 44 2HH2 ARG 44 1.928 18.790 -6.454
304 H ARG 45 H ARG 45 3.561 17.084 2.116
305 HA ARG 45 HA ARG 45 3.804 20.035 1.756
306 HB3 ARG 45 2HB ARG 45 3.843 19.807 4.373
307 HG3 ARG 45 2HG ARG 45 1.291 19.254 2.810
308 HD3 ARG 45 2HD ARG 45 1.846 20.446 5.552
309 HE ARG 45 HE ARG 45 -0.361 21.035 3.688
310 HH11 ARG 45 1HH1 ARG 45 1.024 21.763 6.865
311 HH12 ARG 45 2HH1 ARG 45 -0.347 22.626 7.449
312 HH21 ARG 45 1HH2 ARG 45 -2.218 22.188 4.412
313 HH22 ARG 45 2HH2 ARG 45 -2.271 22.794 6.039
314 H GLU 46 H GLU 46 5.328 17.271 3.501
315 HA GLU 46 HA GLU 46 7.926 18.591 3.644
316 HB3 GLU 46 2HB GLU 46 8.717 16.407 4.395
317 HG3 GLU 46 2HG GLU 46 6.003 16.891 5.695
318 H GLY 47 H GLY 47 6.195 16.509 1.335
319 HA2 GLY 47 1HA GLY 47 6.754 16.123 -0.903
320 HA3 GLY 47 2HA GLY 47 8.263 17.003 -0.705
321 H THR 48 H THR 48 7.230 14.363 1.476
322 HA THR 48 HA THR 48 9.611 12.802 0.655
323 HB THR 48 HB THR 48 9.160 11.654 2.888
324 HG1 THR 48 1HG THR 48 8.059 13.434 4.295
325 HG21 THR 48 3HG2 THR 48 10.928 13.402 2.569
326 HG22 THR 48 1HG2 THR 48 10.273 13.369 4.211
327 HG23 THR 48 2HG2 THR 48 9.776 14.642 3.067
328 H ALA 49 H ALA 49 9.174 10.399 0.547
329 HA ALA 49 HA ALA 49 6.359 9.641 0.304
330 HB1 ALA 49 1HB ALA 49 8.395 9.203 -1.929
331 HB2 ALA 49 2HB ALA 49 6.760 8.503 -1.861
332 HB3 ALA 49 3HB ALA 49 6.981 10.258 -2.022
333 H ARG 50 H ARG 50 6.088 7.503 0.719
334 HA ARG 50 HA ARG 50 8.496 5.784 1.215
335 HB3 ARG 50 2HB ARG 50 7.196 4.842 3.225
336 HG3 ARG 50 2HG ARG 50 8.283 7.693 3.326
337 HD3 ARG 50 2HD ARG 50 8.784 6.582 5.757
338 HE ARG 50 HE ARG 50 6.824 8.506 4.772
339 HH11 ARG 50 1HH1 ARG 50 8.160 7.099 7.830
340 HH12 ARG 50 2HH1 ARG 50 7.548 8.401 8.764
341 HH21 ARG 50 1HH2 ARG 50 6.170 10.169 6.039
342 HH22 ARG 50 2HH2 ARG 50 6.301 10.129 7.775
343 H LEU 51 H LEU 51 7.920 3.438 1.240
344 HA LEU 51 HA LEU 51 5.386 2.815 -0.166
345 HB3 LEU 51 2HB LEU 51 7.872 1.526 -1.299
346 HG LEU 51 HG LEU 51 5.241 2.562 -2.410
347 HD11 LEU 51 1HD1 LEU 51 7.609 1.406 -3.878
348 HD12 LEU 51 2HD1 LEU 51 6.960 3.058 -4.030
349 HD13 LEU 51 3HD1 LEU 51 6.033 1.678 -4.632
350 HD21 LEU 51 3HD2 LEU 51 5.142 0.189 -1.478
351 HD22 LEU 51 1HD2 LEU 51 6.350 -0.246 -2.729
352 HD23 LEU 51 2HD2 LEU 51 4.724 0.380 -3.173
353 H PHE 52 H PHE 52 4.532 0.997 0.539
354 HA PHE 52 HA PHE 52 6.198 -0.745 2.322
355 HB3 PHE 52 2HB PHE 52 4.091 -1.176 3.562
356 HD1 PHE 52 1HD PHE 52 6.088 -0.607 5.055
357 HD2 PHE 52 2HD PHE 52 3.608 2.392 3.219
358 HE1 PHE 52 1HE PHE 52 7.000 1.096 6.595
359 HE2 PHE 52 2HE PHE 52 4.578 4.121 4.703
360 HZ PHE 52 HZ PHE 52 6.284 3.474 6.419
361 H SER 53 H SER 53 6.145 -2.881 2.038
362 HA SER 53 HA SER 53 4.254 -4.031 0.046
363 HB3 SER 53 2HB SER 53 6.112 -5.492 -0.603
364 HG SER 53 HG SER 53 5.930 -3.386 -1.514
365 H GLU 54 H GLU 54 3.577 -6.147 0.366
366 HA GLU 54 HA GLU 54 3.121 -6.789 3.173
367 HB3 GLU 54 2HB GLU 54 1.320 -7.040 1.494
368 HG3 GLU 54 2HG GLU 54 3.076 -9.293 0.477
369 H ALA 55 H ALA 55 3.811 -8.707 4.204
370 HA ALA 55 HA ALA 55 5.596 -10.585 2.923
371 HB1 ALA 55 1HB ALA 55 7.238 -8.929 3.680
372 HB2 ALA 55 2HB ALA 55 6.497 -8.883 5.296
373 HB3 ALA 55 3HB ALA 55 7.329 -10.353 4.721
374 H THR 56 H THR 56 6.103 -12.263 4.991
375 HA THR 56 HA THR 56 4.092 -12.101 7.042
376 HB THR 56 HB THR 56 3.953 -14.824 6.094
377 HG1 THR 56 1HG THR 56 3.151 -12.839 4.245
378 HG21 THR 56 3HG2 THR 56 1.536 -14.477 6.238
379 HG22 THR 56 1HG2 THR 56 1.779 -12.719 6.347
380 HG23 THR 56 2HG2 THR 56 2.366 -13.795 7.636
381 H ARG 57 H ARG 57 4.819 -13.196 8.929
382 HA ARG 57 HA ARG 57 7.524 -14.372 8.630
383 HB3 ARG 57 2HB ARG 57 7.173 -12.690 10.323
384 HG3 ARG 57 2HG ARG 57 5.021 -14.548 11.310
385 HD3 ARG 57 2HD ARG 57 6.647 -14.634 13.135
386 HE ARG 57 HE ARG 57 7.324 -11.981 12.505
387 HH11 ARG 57 1HH1 ARG 57 6.327 -13.724 15.443
388 HH12 ARG 57 2HH1 ARG 57 7.276 -12.705 16.483
389 HH21 ARG 57 1HH2 ARG 57 8.473 -10.663 13.849
390 HH22 ARG 57 2HH2 ARG 57 8.335 -10.772 15.568
391 H GLY 58 H GLY 58 7.959 -16.335 10.257
392 HA2 GLY 58 1HA GLY 58 6.610 -18.600 9.334
393 HA3 GLY 58 2HA GLY 58 7.622 -18.496 10.783
394 H ASP 59 H ASP 59 5.936 -16.623 12.224
395 HA ASP 59 HA ASP 59 3.830 -18.307 13.227
396 HB3 ASP 59 2HB ASP 59 3.881 -15.376 13.732
397 H GLY 60 H GLY 60 3.882 -16.817 10.277
398 HA2 GLY 60 1HA GLY 60 2.288 -16.505 8.721
399 HA3 GLY 60 2HA GLY 60 1.068 -17.058 9.868
400 H GLU 61 H GLU 61 3.110 -14.222 10.736
401 HA GLU 61 HA GLU 61 0.589 -12.693 10.803
402 HB3 GLU 61 2HB GLU 61 3.253 -11.781 11.950
403 HG3 GLU 61 2HG GLU 61 0.316 -11.340 12.609
404 H ARG 62 H ARG 62 0.219 -11.297 9.171
405 HA ARG 62 HA ARG 62 2.281 -10.609 7.232
406 HB3 ARG 62 2HB ARG 62 -0.479 -9.383 7.592
407 HG3 ARG 62 2HG ARG 62 1.602 -8.955 5.608
408 HD3 ARG 62 2HD ARG 62 -0.279 -10.818 4.642
409 HE ARG 62 HE ARG 62 -1.454 -8.238 4.305
410 HH11 ARG 62 1HH1 ARG 62 -0.521 -11.000 2.247
411 HH12 ARG 62 2HH1 ARG 62 -1.768 -10.629 1.093
412 HH21 ARG 62 1HH2 ARG 62 -3.066 -7.877 2.765
413 HH22 ARG 62 2HH2 ARG 62 -3.244 -9.014 1.421
414 H PHE 63 H PHE 63 3.261 -8.576 6.985
415 HA PHE 63 HA PHE 63 2.687 -6.417 8.850
416 HB3 PHE 63 2HB PHE 63 4.419 -7.569 10.079
417 HD1 PHE 63 1HD PHE 63 4.967 -9.825 8.903
418 HD2 PHE 63 2HD PHE 63 7.090 -6.141 8.076
419 HE1 PHE 63 1HE PHE 63 6.905 -11.109 8.067
420 HE2 PHE 63 2HE PHE 63 9.026 -7.460 7.294
421 HZ PHE 63 HZ PHE 63 8.917 -9.939 7.242
422 H TRP 64 H TRP 64 3.640 -4.406 8.033
423 HA TRP 64 HA TRP 64 3.899 -4.394 5.084
424 HB3 TRP 64 2HB TRP 64 3.617 -1.902 5.498
425 HD1 TRP 64 HD TRP 64 0.781 -2.736 7.634
426 HE1 TRP 64 1HE TRP 64 -1.346 -3.166 6.216
427 HE3 TRP 64 3HE TRP 64 2.977 -3.336 3.067
428 HZ2 TRP 64 2HZ TRP 64 -1.969 -3.708 3.443
429 HZ3 TRP 64 3HZ TRP 64 1.632 -3.876 1.075
430 HH2 TRP 64 HH TRP 64 -0.840 -4.076 1.246
431 H MET 65 H MET 65 5.960 -4.866 4.614
432 HA MET 65 HA MET 65 8.182 -3.734 6.197
433 HB3 MET 65 2HB MET 65 8.212 -6.119 5.640
434 HG3 MET 65 2HG MET 65 7.912 -5.150 2.844
435 HE1 MET 65 3HE MET 65 9.425 -8.318 4.545
436 HE2 MET 65 1HE MET 65 11.038 -8.440 3.803
437 HE3 MET 65 2HE MET 65 10.661 -7.087 4.901
438 H GLN 66 H GLN 66 10.136 -3.054 4.916
439 HA GLN 66 HA GLN 66 9.325 -1.290 2.646
440 HB3 GLN 66 2HB GLN 66 11.015 0.345 3.396
441 HG3 GLN 66 2HG GLN 66 8.838 -0.126 5.458
442 HE21 GLN 66 1HE2 GLN 66 9.200 1.494 6.952
443 HE22 GLN 66 2HE2 GLN 66 9.603 3.153 6.550
444 HA PRO 67 HA PRO 67 12.650 -4.115 1.296
445 HB3 PRO 67 2HB PRO 67 11.117 -5.434 0.181
446 HG3 PRO 67 2HG PRO 67 9.121 -4.510 -0.775
447 HD3 PRO 67 2HD PRO 67 9.157 -4.002 1.563
448 H VAL 68 H VAL 68 11.334 -1.054 -0.030
449 HA VAL 68 HA VAL 68 13.623 -0.707 -1.844
450 HB VAL 68 HB VAL 68 11.491 1.342 -1.124
451 HG11 VAL 68 1HG1 VAL 68 12.200 2.354 -3.296
452 HG12 VAL 68 2HG1 VAL 68 13.530 2.289 -2.144
453 HG13 VAL 68 3HG1 VAL 68 13.447 1.105 -3.459
454 HG21 VAL 68 3HG2 VAL 68 10.398 -0.643 -2.139
455 HG22 VAL 68 1HG2 VAL 68 10.325 0.807 -3.128
456 HG23 VAL 68 2HG2 VAL 68 11.491 -0.460 -3.543
457 H ARG 69 H ARG 69 15.430 -0.715 -0.668
458 HA ARG 69 HA ARG 69 15.872 0.921 1.699
459 HB3 ARG 69 2HB ARG 69 17.958 -0.420 -0.065
460 HG3 ARG 69 2HG ARG 69 18.758 -1.199 2.241
461 HD3 ARG 69 2HD ARG 69 19.037 1.794 1.930
462 HE ARG 69 HE ARG 69 20.425 -0.143 3.444
463 HH11 ARG 69 1HH1 ARG 69 21.251 2.480 1.162
464 HH12 ARG 69 2HH1 ARG 69 22.757 2.824 1.977
465 HH21 ARG 69 1HH2 ARG 69 22.351 0.303 4.403
466 HH22 ARG 69 2HH2 ARG 69 23.386 1.620 3.841
467 H SER 70 H SER 70 14.728 2.529 -0.174
468 HA SER 70 HA SER 70 16.590 4.646 -0.381
469 HB3 SER 70 2HB SER 70 15.320 3.595 -2.958
470 HG SER 70 HG SER 70 16.340 5.399 -3.894
471 H THR 71 H THR 71 15.281 6.584 -0.925
472 HA THR 71 HA THR 71 12.354 6.302 -0.556
473 HB THR 71 HB THR 71 12.799 8.463 1.005
474 HG1 THR 71 1HG THR 71 14.569 8.077 2.321
475 HG21 THR 71 3HG2 THR 71 11.483 6.472 1.618
476 HG22 THR 71 1HG2 THR 71 12.534 6.980 2.945
477 HG23 THR 71 2HG2 THR 71 12.980 5.575 1.957
478 H PHE 72 H PHE 72 14.456 7.113 -2.785
479 HA PHE 72 HA PHE 72 13.597 9.820 -3.499
480 HB3 PHE 72 2HB PHE 72 14.394 8.637 -5.868
481 HD1 PHE 72 1HD PHE 72 14.362 11.308 -5.221
482 HD2 PHE 72 2HD PHE 72 17.496 8.470 -4.302
483 HE1 PHE 72 1HE PHE 72 15.941 13.157 -4.869
484 HE2 PHE 72 2HE PHE 72 19.089 10.350 -4.013
485 HZ PHE 72 HZ PHE 72 18.316 12.700 -4.268
486 H GLU 73 H GLU 73 11.845 10.416 -4.652
487 HA GLU 73 HA GLU 73 9.584 8.869 -4.804
488 HB3 GLU 73 2HB GLU 73 10.225 11.179 -6.685
489 HG3 GLU 73 2HG GLU 73 7.933 11.937 -5.871
490 HA PRO 74 HA PRO 74 10.352 7.465 -9.292
491 HB3 PRO 74 2HB PRO 74 11.663 8.942 -10.513
492 HG3 PRO 74 2HG PRO 74 13.620 9.942 -9.540
493 HD3 PRO 74 2HD PRO 74 11.725 10.493 -8.216
494 H ASP 75 H ASP 75 12.709 6.875 -6.759
495 HA ASP 75 HA ASP 75 13.582 4.252 -7.776
496 HB3 ASP 75 2HB ASP 75 14.219 4.034 -5.214
497 H LEU 76 H LEU 76 11.271 5.655 -5.529
498 HA LEU 76 HA LEU 76 10.266 3.213 -4.381
499 HB3 LEU 76 2HB LEU 76 8.378 4.782 -3.636
500 HG LEU 76 HG LEU 76 11.249 5.589 -3.023
501 HD11 LEU 76 1HD1 LEU 76 9.856 7.553 -2.745
502 HD12 LEU 76 2HD1 LEU 76 10.256 6.908 -1.142
503 HD13 LEU 76 3HD1 LEU 76 8.647 6.620 -1.835
504 HD21 LEU 76 3HD2 LEU 76 10.307 3.337 -2.159
505 HD22 LEU 76 1HD2 LEU 76 9.260 4.329 -1.126
506 HD23 LEU 76 2HD2 LEU 76 11.005 4.444 -0.979
507 H ASP 77 H ASP 77 8.895 5.528 -6.851
508 HA ASP 77 HA ASP 77 6.576 3.926 -7.194
509 HB3 ASP 77 2HB ASP 77 7.772 5.698 -9.342
510 H ALA 78 H ALA 78 9.671 3.888 -8.962
511 HA ALA 78 HA ALA 78 9.066 1.981 -10.925
512 HB1 ALA 78 1HB ALA 78 11.182 3.209 -10.830
513 HB2 ALA 78 2HB ALA 78 11.633 2.371 -9.342
514 HB3 ALA 78 3HB ALA 78 11.494 1.466 -10.871
515 H TYR 79 H TYR 79 9.456 1.499 -7.409
516 HA TYR 79 HA TYR 79 9.872 -1.346 -7.504
517 HB3 TYR 79 2HB TYR 79 8.263 0.093 -5.390
518 HD1 TYR 79 2HD TYR 79 11.220 -2.173 -5.445
519 HD2 TYR 79 1HD TYR 79 7.045 -1.721 -4.540
520 HE1 TYR 79 2HE TYR 79 11.148 -4.544 -4.669
521 HE2 TYR 79 1HE TYR 79 6.983 -4.061 -3.671
522 HH TYR 79 HH TYR 79 8.208 -6.033 -3.268
523 H ALA 80 H ALA 80 6.848 0.657 -7.405
524 HA ALA 80 HA ALA 80 5.136 -1.639 -7.168
525 HB1 ALA 80 1HB ALA 80 3.331 -0.055 -7.733
526 HB2 ALA 80 2HB ALA 80 4.415 0.610 -6.492
527 HB3 ALA 80 3HB ALA 80 4.530 1.173 -8.182
528 H GLU 81 H GLU 81 6.650 -0.018 -9.937
529 HA GLU 81 HA GLU 81 5.041 -1.316 -11.966
530 HB3 GLU 81 2HB GLU 81 6.899 -0.692 -13.408
531 HG3 GLU 81 2HG GLU 81 6.647 1.834 -11.806
532 H ARG 82 H ARG 82 8.191 -1.841 -10.374
533 HA ARG 82 HA ARG 82 8.905 -4.103 -11.834
534 HB3 ARG 82 2HB ARG 82 9.703 -3.239 -9.014
535 HG3 ARG 82 2HG ARG 82 11.238 -5.037 -10.921
536 HD3 ARG 82 2HD ARG 82 12.263 -4.905 -8.210
537 HE ARG 82 HE ARG 82 13.270 -4.610 -10.898
538 HH11 ARG 82 1HH1 ARG 82 14.272 -3.669 -7.571
539 HH12 ARG 82 2HH1 ARG 82 15.944 -3.682 -8.026
540 HH21 ARG 82 1HH2 ARG 82 15.479 -4.721 -11.345
541 HH22 ARG 82 2HH2 ARG 82 16.609 -4.154 -10.146
542 H ALA 83 H ALA 83 7.107 -3.830 -8.798
543 HA ALA 83 HA ALA 83 6.985 -6.611 -8.187
544 HB1 ALA 83 1HB ALA 83 5.013 -4.391 -7.505
545 HB2 ALA 83 2HB ALA 83 5.226 -5.935 -6.645
546 HB3 ALA 83 3HB ALA 83 6.504 -4.703 -6.607
547 H ALA 84 H ALA 84 4.871 -4.449 -10.116
548 HA ALA 84 HA ALA 84 2.987 -6.548 -10.873
549 HB1 ALA 84 1HB ALA 84 2.122 -4.280 -10.604
550 HB2 ALA 84 2HB ALA 84 3.321 -3.644 -11.763
551 HB3 ALA 84 3HB ALA 84 2.013 -4.725 -12.280
552 H ARG 85 H ARG 85 5.721 -7.130 -11.559
553 HA ARG 85 HA ARG 85 5.254 -7.657 -14.461
554 HB3 ARG 85 2HB ARG 85 7.947 -7.604 -14.375
555 HG3 ARG 85 2HG ARG 85 6.804 -4.849 -14.620
556 HD3 ARG 85 2HD ARG 85 8.137 -6.850 -16.483
557 HE ARG 85 HE ARG 85 7.145 -4.412 -17.121
558 HH11 ARG 85 1HH1 ARG 85 10.298 -5.991 -17.293
559 HH12 ARG 85 2HH1 ARG 85 10.966 -4.857 -18.447
560 HH21 ARG 85 1HH2 ARG 85 7.903 -3.084 -18.790
561 HH22 ARG 85 2HH2 ARG 85 9.401 -3.422 -19.596
562 H ILE 86 H ILE 86 6.283 -8.764 -11.441
563 HA ILE 86 HA ILE 86 6.550 -11.500 -12.633
564 HB ILE 86 HB ILE 86 7.838 -10.724 -10.003
565 HG13 ILE 86 2HG1 ILE 86 8.980 -10.518 -12.816
566 HG21 ILE 86 1HG2 ILE 86 8.205 -13.047 -11.963
567 HG22 ILE 86 2HG2 ILE 86 9.206 -12.776 -10.526
568 HG23 ILE 86 3HG2 ILE 86 7.487 -13.131 -10.345
569 HD11 ILE 86 3HD1 ILE 86 10.314 -8.648 -11.725
570 HD12 ILE 86 1HD1 ILE 86 8.585 -8.328 -11.825
571 HD13 ILE 86 2HD1 ILE 86 9.297 -8.841 -10.282
572 H ASP 87 H ASP 87 4.875 -9.568 -10.071
573 HA ASP 87 HA ASP 87 3.745 -11.994 -8.909
574 HB3 ASP 87 2HB ASP 87 2.015 -10.176 -8.105
575 HA PRO 88 HA PRO 88 0.974 -12.754 -12.122
576 HB3 PRO 88 2HB PRO 88 0.697 -14.860 -11.236
577 HG3 PRO 88 2HG PRO 88 0.599 -15.188 -8.870
578 HD3 PRO 88 2HD PRO 88 2.535 -13.901 -9.225
579 H ASP 89 H ASP 89 -0.602 -11.552 -9.093
580 HA ASP 89 HA ASP 89 -2.053 -9.645 -10.747
581 HB3 ASP 89 2HB ASP 89 -4.020 -11.188 -9.125
582 H ILE 90 H ILE 90 -0.732 -8.297 -9.487
583 HA ILE 90 HA ILE 90 -1.232 -8.160 -6.595
584 HB ILE 90 HB ILE 90 1.012 -8.174 -7.496
585 HG13 ILE 90 2HG1 ILE 90 0.404 -6.976 -5.339
586 HG21 ILE 90 1HG2 ILE 90 2.006 -6.354 -8.743
587 HG22 ILE 90 2HG2 ILE 90 0.629 -6.957 -9.647
588 HG23 ILE 90 3HG2 ILE 90 0.473 -5.445 -8.733
589 HD11 ILE 90 3HD1 ILE 90 2.738 -7.617 -5.985
590 HD12 ILE 90 1HD1 ILE 90 2.928 -6.012 -6.724
591 HD13 ILE 90 2HD1 ILE 90 2.647 -6.167 -4.977
592 H TRP 91 H TRP 91 -1.919 -6.248 -5.540
593 HA TRP 91 HA TRP 91 -3.572 -4.304 -7.095
594 HB3 TRP 91 2HB TRP 91 -4.455 -3.760 -4.808
595 HD1 TRP 91 HD TRP 91 -4.241 -7.607 -5.249
596 HE1 TRP 91 1HE TRP 91 -6.601 -8.527 -5.587
597 HE3 TRP 91 3HE TRP 91 -6.783 -3.242 -5.228
598 HZ2 TRP 91 2HZ TRP 91 -9.264 -7.443 -6.062
599 HZ3 TRP 91 3HZ TRP 91 -9.275 -3.172 -5.530
600 HH2 TRP 91 HH TRP 91 -10.515 -5.307 -5.927
601 H VAL 92 H VAL 92 -3.094 -2.107 -6.838
602 HA VAL 92 HA VAL 92 -0.691 -1.363 -5.255
603 HB VAL 92 HB VAL 92 -1.508 -0.374 -8.019
604 HG11 VAL 92 1HG1 VAL 92 0.595 0.958 -7.960
605 HG12 VAL 92 2HG1 VAL 92 -0.470 1.449 -6.645
606 HG13 VAL 92 3HG1 VAL 92 0.916 0.396 -6.308
607 HG21 VAL 92 3HG2 VAL 92 0.629 -1.307 -8.822
608 HG22 VAL 92 1HG2 VAL 92 0.945 -1.969 -7.197
609 HG23 VAL 92 2HG2 VAL 92 -0.394 -2.584 -8.169
610 H VAL 93 H VAL 93 -1.075 0.484 -4.008
611 HA VAL 93 HA VAL 93 -3.643 1.901 -4.363
612 HB VAL 93 HB VAL 93 -2.575 0.654 -1.790
613 HG11 VAL 93 1HG1 VAL 93 -5.244 2.035 -2.212
614 HG12 VAL 93 2HG1 VAL 93 -4.443 1.561 -0.682
615 HG13 VAL 93 3HG1 VAL 93 -3.798 2.885 -1.638
616 HG21 VAL 93 3HG2 VAL 93 -4.934 -0.084 -3.590
617 HG22 VAL 93 1HG2 VAL 93 -3.555 -1.118 -3.132
618 HG23 VAL 93 2HG2 VAL 93 -4.759 -0.675 -1.936
619 H GLU 94 H GLU 94 -3.358 4.041 -4.229
620 HA GLU 94 HA GLU 94 -0.643 5.095 -3.581
621 HB3 GLU 94 2HB GLU 94 -1.285 6.752 -5.448
622 HG3 GLU 94 2HG GLU 94 -1.020 5.149 -7.382
623 H ILE 95 H ILE 95 -0.752 6.459 -1.874
624 HA ILE 95 HA ILE 95 -3.334 7.711 -1.104
625 HB ILE 95 HB ILE 95 -1.164 6.535 0.689
626 HG13 ILE 95 2HG1 ILE 95 -2.581 4.656 1.128
627 HG21 ILE 95 1HG2 ILE 95 -3.943 7.467 1.478
628 HG22 ILE 95 2HG2 ILE 95 -2.760 6.652 2.527
629 HG23 ILE 95 3HG2 ILE 95 -2.406 8.246 1.857
630 HD11 ILE 95 3HD1 ILE 95 -4.823 5.828 0.364
631 HD12 ILE 95 1HD1 ILE 95 -4.328 5.336 -1.261
632 HD13 ILE 95 2HD1 ILE 95 -4.595 4.123 -0.005
633 H GLU 96 H GLU 96 -2.811 9.802 -1.990
634 HA GLU 96 HA GLU 96 -0.305 11.163 -1.186
635 HB3 GLU 96 2HB GLU 96 -1.609 13.166 -1.934
636 HG3 GLU 96 2HG GLU 96 -1.268 11.161 -4.164
637 H ASP 97 H ASP 97 -0.203 12.347 0.736
638 HA ASP 97 HA ASP 97 -2.656 13.595 1.701
639 HB3 ASP 97 2HB ASP 97 -1.000 12.183 3.801
640 H ARG 98 H ARG 98 -1.902 15.116 3.656
641 HA ARG 98 HA ARG 98 0.401 16.683 2.644
642 HB3 ARG 98 2HB ARG 98 -1.707 17.822 2.476
643 HG3 ARG 98 2HG ARG 98 -1.885 17.045 5.374
644 HD3 ARG 98 2HD ARG 98 -3.298 19.372 4.033
645 HE ARG 98 HE ARG 98 -5.032 18.612 5.310
646 HH11 ARG 98 1HH1 ARG 98 -2.134 18.413 7.410
647 HH12 ARG 98 2HH1 ARG 98 -3.060 18.183 8.832
648 HH21 ARG 98 1HH2 ARG 98 -6.180 18.185 7.059
649 HH22 ARG 98 2HH2 ARG 98 -5.511 18.085 8.665
650 H ASP 99 H ASP 99 -0.764 15.029 5.304
651 HA ASP 99 HA ASP 99 1.631 15.631 6.995
652 HB3 ASP 99 2HB ASP 99 -1.065 14.747 8.078
653 H GLY 100 H GLY 100 1.999 13.739 5.173
654 HA2 GLY 100 1HA GLY 100 2.609 11.575 4.744
655 HA3 GLY 100 2HA GLY 100 3.200 11.764 6.392
656 H ARG 101 H ARG 101 -0.235 11.410 5.418
657 HA ARG 101 HA ARG 101 -0.645 9.458 7.512
658 HB3 ARG 101 2HB ARG 101 -2.933 9.182 6.418
659 HG3 ARG 101 2HG ARG 101 -2.111 12.069 6.873
660 HD3 ARG 101 2HD ARG 101 -4.709 10.607 7.579
661 HE ARG 101 HE ARG 101 -4.910 13.353 6.890
662 HH11 ARG 101 1HH1 ARG 101 -3.853 11.515 9.727
663 HH12 ARG 101 2HH1 ARG 101 -3.047 12.879 10.462
664 HH21 ARG 101 1HH2 ARG 101 -4.367 15.201 8.140
665 HH22 ARG 101 2HH2 ARG 101 -3.508 15.022 9.659
666 H HIS 102 H HIS 102 -1.617 7.329 7.188
667 HA HIS 102 HA HIS 102 -0.837 5.940 4.680
668 HB3 HIS 102 2HB HIS 102 1.059 5.506 6.028
669 HD1 HIS 102 1HD HIS 102 -1.207 3.491 8.501
670 HD2 HIS 102 2HD HIS 102 1.574 6.645 8.241
671 HE1 HIS 102 1HE HIS 102 -0.642 4.096 10.885
672 H PHE 103 H PHE 103 -3.061 6.308 7.327
673 HA PHE 103 HA PHE 103 -4.948 5.329 7.946
674 HB3 PHE 103 2HB PHE 103 -6.452 4.745 5.957
675 HD1 PHE 103 2HD PHE 103 -7.460 6.413 7.578
676 HD2 PHE 103 1HD PHE 103 -4.515 7.579 4.631
677 HE1 PHE 103 2HE PHE 103 -8.221 8.756 7.725
678 HE2 PHE 103 1HE PHE 103 -5.331 9.883 4.732
679 HZ PHE 103 HZ PHE 103 -7.177 10.500 6.318
680 H LEU 104 H LEU 104 -2.670 3.145 6.935
681 HA LEU 104 HA LEU 104 -3.942 0.690 6.992
682 HB3 LEU 104 2HB LEU 104 -1.795 -0.284 7.775
683 HG LEU 104 HG LEU 104 -1.326 2.023 5.857
684 HD11 LEU 104 1HD1 LEU 104 0.781 1.369 6.851
685 HD12 LEU 104 2HD1 LEU 104 0.705 0.794 5.179
686 HD13 LEU 104 3HD1 LEU 104 0.448 -0.336 6.515
687 HD21 LEU 104 3HD2 LEU 104 -1.900 -0.933 5.373
688 HD22 LEU 104 1HD2 LEU 104 -1.506 0.282 4.144
689 HD23 LEU 104 2HD2 LEU 104 -2.998 0.433 5.028
690 H THR 105 H THR 105 -4.763 -0.676 8.482
691 HA THR 105 HA THR 105 -4.850 0.104 11.314
692 HB THR 105 HB THR 105 -6.772 -0.780 9.839
693 HG1 THR 105 1HG THR 105 -7.194 -0.582 11.897
694 HG21 THR 105 3HG2 THR 105 -5.646 -3.508 10.582
695 HG22 THR 105 1HG2 THR 105 -5.584 -2.814 8.947
696 HG23 THR 105 2HG2 THR 105 -7.145 -3.147 9.707
697 H GLU 106 H GLU 106 -2.606 -1.551 9.411
698 HA GLU 106 HA GLU 106 -2.151 -3.836 11.198
699 HB3 GLU 106 2HB GLU 106 -0.668 -4.404 9.084
700 HG3 GLU 106 2HG GLU 106 -3.688 -4.205 9.166
701 HA PRO 107 HA PRO 107 1.877 -2.412 12.583
702 HB3 PRO 107 2HB PRO 107 2.029 -4.403 13.767
703 HG3 PRO 107 2HG PRO 107 1.391 -6.497 12.787
704 HD3 PRO 107 2HD PRO 107 -0.486 -5.077 12.619
705 H VAL 108 H VAL 108 4.156 -2.179 11.918
706 HA VAL 108 HA VAL 108 4.583 -2.370 9.003
707 HB VAL 108 HB VAL 108 4.741 0.197 10.655
708 HG11 VAL 108 1HG1 VAL 108 4.832 1.304 8.418
709 HG12 VAL 108 2HG1 VAL 108 6.214 0.254 8.704
710 HG13 VAL 108 3HG1 VAL 108 4.899 -0.304 7.656
711 HG21 VAL 108 3HG2 VAL 108 2.369 -0.295 10.490
712 HG22 VAL 108 1HG2 VAL 108 2.736 0.962 9.321
713 HG23 VAL 108 2HG2 VAL 108 2.520 -0.706 8.768
714 H GLU 109 H GLU 109 6.825 -2.065 8.439
715 HA GLU 109 HA GLU 109 8.809 -2.296 10.598
716 HB3 GLU 109 2HB GLU 109 9.845 -3.430 8.245
717 HG3 GLU 109 2HG GLU 109 8.231 -5.244 9.962
718 H SER 110 H SER 110 11.052 -2.083 9.317
719 HA SER 110 HA SER 110 11.184 0.648 8.189
720 HB3 SER 110 2HB SER 110 13.181 -0.304 10.258
721 HG SER 110 HG SER 110 12.751 2.045 10.871
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -11.954 -16.874 14.251
2 HA2 GLY 1 1HA GLY 1 -13.347 -17.795 12.528
3 HA3 GLY 1 2HA GLY 1 -14.124 -16.337 13.161
4 H MET 2 H MET 2 -13.540 -14.258 12.015
5 HA MET 2 HA MET 2 -14.553 -14.335 9.532
6 HB3 MET 2 2HB MET 2 -13.858 -12.033 9.258
7 HG3 MET 2 2HG MET 2 -15.590 -12.489 11.041
8 HE1 MET 2 3HE MET 2 -16.509 -11.888 13.511
9 HE2 MET 2 1HE MET 2 -15.431 -11.514 14.874
10 HE3 MET 2 2HE MET 2 -15.519 -10.410 13.480
11 H LEU 3 H LEU 3 -13.912 -14.350 7.448
12 HA LEU 3 HA LEU 3 -11.060 -14.393 6.748
13 HB3 LEU 3 2HB LEU 3 -12.966 -16.326 5.428
14 HG LEU 3 HG LEU 3 -11.031 -17.684 5.119
15 HD11 LEU 3 1HD1 LEU 3 -10.172 -14.883 4.305
16 HD12 LEU 3 2HD1 LEU 3 -11.393 -15.843 3.452
17 HD13 LEU 3 3HD1 LEU 3 -9.721 -16.427 3.558
18 HD21 LEU 3 3HD2 LEU 3 -9.860 -17.185 7.230
19 HD22 LEU 3 1HD2 LEU 3 -9.296 -15.644 6.543
20 HD23 LEU 3 2HD2 LEU 3 -8.808 -17.176 5.808
21 H LEU 4 H LEU 4 -11.190 -12.431 6.040
22 HA LEU 4 HA LEU 4 -13.207 -11.174 4.398
23 HB3 LEU 4 2HB LEU 4 -11.119 -9.527 4.183
24 HG LEU 4 HG LEU 4 -11.206 -8.845 6.611
25 HD11 LEU 4 1HD1 LEU 4 -12.524 -7.752 4.917
26 HD12 LEU 4 2HD1 LEU 4 -13.453 -7.864 6.417
27 HD13 LEU 4 3HD1 LEU 4 -13.815 -8.970 5.075
28 HD21 LEU 4 3HD2 LEU 4 -12.997 -9.624 8.049
29 HD22 LEU 4 1HD2 LEU 4 -11.937 -10.978 7.658
30 HD23 LEU 4 2HD2 LEU 4 -13.514 -10.816 6.852
31 H SER 5 H SER 5 -11.968 -9.974 2.327
32 HA SER 5 HA SER 5 -10.145 -11.843 1.057
33 HB3 SER 5 2HB SER 5 -11.088 -11.484 -1.153
34 HG SER 5 HG SER 5 -12.867 -12.505 0.821
35 H THR 6 H THR 6 -8.794 -10.608 -0.641
36 HA THR 6 HA THR 6 -7.722 -8.346 0.652
37 HB THR 6 HB THR 6 -7.396 -9.468 -2.158
38 HG1 THR 6 1HG THR 6 -5.526 -10.383 -1.103
39 HG21 THR 6 3HG2 THR 6 -6.429 -7.277 -2.281
40 HG22 THR 6 1HG2 THR 6 -5.073 -8.370 -1.930
41 HG23 THR 6 2HG2 THR 6 -5.777 -7.410 -0.608
42 H ASP 7 H ASP 7 -9.932 -8.644 -2.195
43 HA ASP 7 HA ASP 7 -9.984 -5.912 -2.802
44 HB3 ASP 7 2HB ASP 7 -11.008 -7.913 -4.062
45 H ILE 8 H ILE 8 -11.704 -7.650 -0.250
46 HA ILE 8 HA ILE 8 -13.548 -5.627 0.523
47 HB ILE 8 HB ILE 8 -12.371 -7.718 2.336
48 HG13 ILE 8 2HG1 ILE 8 -14.284 -9.067 1.819
49 HG21 ILE 8 1HG2 ILE 8 -14.645 -7.424 3.451
50 HG22 ILE 8 2HG2 ILE 8 -13.525 -6.063 3.607
51 HG23 ILE 8 3HG2 ILE 8 -14.867 -5.983 2.448
52 HD11 ILE 8 3HD1 ILE 8 -14.805 -7.303 -0.584
53 HD12 ILE 8 1HD1 ILE 8 -15.580 -8.848 -0.185
54 HD13 ILE 8 2HD1 ILE 8 -15.862 -7.436 0.845
55 H TRP 9 H TRP 9 -10.200 -6.442 1.646
56 HA TRP 9 HA TRP 9 -10.143 -4.408 3.682
57 HB3 TRP 9 2HB TRP 9 -7.706 -4.580 3.540
58 HD1 TRP 9 HD TRP 9 -9.815 -6.164 5.346
59 HE1 TRP 9 1HE TRP 9 -9.133 -8.488 6.293
60 HE3 TRP 9 3HE TRP 9 -6.220 -7.320 1.982
61 HZ2 TRP 9 2HZ TRP 9 -7.437 -10.693 5.445
62 HZ3 TRP 9 3HZ TRP 9 -5.082 -9.553 2.019
63 HH2 TRP 9 HH TRP 9 -5.722 -11.234 3.732
64 H VAL 10 H VAL 10 -8.848 -4.503 0.332
65 HA VAL 10 HA VAL 10 -7.857 -1.857 0.333
66 HB VAL 10 HB VAL 10 -8.721 -3.637 -1.968
67 HG11 VAL 10 1HG1 VAL 10 -7.149 -1.031 -1.932
68 HG12 VAL 10 2HG1 VAL 10 -7.109 -2.171 -3.287
69 HG13 VAL 10 3HG1 VAL 10 -8.630 -1.401 -2.843
70 HG21 VAL 10 3HG2 VAL 10 -6.883 -4.592 -0.579
71 HG22 VAL 10 1HG2 VAL 10 -6.295 -4.100 -2.168
72 HG23 VAL 10 2HG2 VAL 10 -5.979 -3.080 -0.744
73 H ALA 11 H ALA 11 -11.167 -3.072 -0.139
74 HA ALA 11 HA ALA 11 -12.230 -0.624 -1.101
75 HB1 ALA 11 1HB ALA 11 -13.502 -2.711 -1.294
76 HB2 ALA 11 2HB ALA 11 -13.611 -2.849 0.470
77 HB3 ALA 11 3HB ALA 11 -14.419 -1.519 -0.348
78 H ALA 12 H ALA 12 -12.261 -1.988 2.215
79 HA ALA 12 HA ALA 12 -13.416 0.268 3.472
80 HB1 ALA 12 1HB ALA 12 -11.596 -1.929 4.566
81 HB2 ALA 12 2HB ALA 12 -12.538 -0.806 5.566
82 HB3 ALA 12 3HB ALA 12 -13.376 -1.925 4.491
83 H LEU 13 H LEU 13 -10.067 -0.649 3.105
84 HA LEU 13 HA LEU 13 -8.600 1.367 4.288
85 HB3 LEU 13 2HB LEU 13 -8.180 -0.340 1.835
86 HG LEU 13 HG LEU 13 -6.676 1.586 1.784
87 HD11 LEU 13 1HD1 LEU 13 -5.931 0.603 4.577
88 HD12 LEU 13 2HD1 LEU 13 -6.514 2.220 4.153
89 HD13 LEU 13 3HD1 LEU 13 -4.904 1.724 3.640
90 HD21 LEU 13 3HD2 LEU 13 -4.555 0.192 1.766
91 HD22 LEU 13 1HD2 LEU 13 -5.915 -0.607 0.973
92 HD23 LEU 13 2HD2 LEU 13 -5.440 -1.088 2.617
93 H ILE 14 H ILE 14 -9.663 1.371 0.789
94 HA ILE 14 HA ILE 14 -8.856 4.078 0.361
95 HB ILE 14 HB ILE 14 -10.749 2.148 -1.005
96 HG13 ILE 14 2HG1 ILE 14 -9.138 2.158 -2.778
97 HG21 ILE 14 1HG2 ILE 14 -10.927 3.784 -2.948
98 HG22 ILE 14 2HG2 ILE 14 -11.925 4.126 -1.529
99 HG23 ILE 14 3HG2 ILE 14 -10.455 5.060 -1.808
100 HD11 ILE 14 3HD1 ILE 14 -7.069 3.435 -2.724
101 HD12 ILE 14 1HD1 ILE 14 -8.413 4.602 -2.603
102 HD13 ILE 14 2HD1 ILE 14 -7.479 4.148 -1.174
103 H ARG 15 H ARG 15 -11.873 2.665 1.391
104 HA ARG 15 HA ARG 15 -13.466 5.038 1.396
105 HB3 ARG 15 2HB ARG 15 -14.644 3.849 3.452
106 HG3 ARG 15 2HG ARG 15 -15.321 1.887 1.743
107 HD3 ARG 15 2HD ARG 15 -16.128 4.755 1.152
108 HE ARG 15 HE ARG 15 -17.083 2.434 0.060
109 HH11 ARG 15 1HH1 ARG 15 -18.500 4.878 2.104
110 HH12 ARG 15 2HH1 ARG 15 -20.132 4.439 1.835
111 HH21 ARG 15 1HH2 ARG 15 -19.212 1.862 -0.476
112 HH22 ARG 15 2HH2 ARG 15 -20.562 2.542 0.360
113 H ARG 16 H ARG 16 -11.430 3.733 4.040
114 HA ARG 16 HA ARG 16 -11.821 5.803 5.899
115 HB3 ARG 16 2HB ARG 16 -9.482 5.254 6.719
116 HG3 ARG 16 2HG ARG 16 -11.619 3.192 6.384
117 HD3 ARG 16 2HD ARG 16 -8.734 2.501 7.009
118 HE ARG 16 HE ARG 16 -10.645 1.514 8.584
119 HH11 ARG 16 1HH1 ARG 16 -9.455 -0.006 5.619
120 HH12 ARG 16 2HH1 ARG 16 -9.556 -1.620 6.212
121 HH21 ARG 16 1HH2 ARG 16 -10.520 -0.610 9.488
122 HH22 ARG 16 2HH2 ARG 16 -10.209 -1.984 8.471
123 H ALA 17 H ALA 17 -9.297 5.676 3.323
124 HA ALA 17 HA ALA 17 -8.037 8.114 4.069
125 HB1 ALA 17 1HB ALA 17 -6.952 6.550 2.573
126 HB2 ALA 17 2HB ALA 17 -8.234 6.754 1.344
127 HB3 ALA 17 3HB ALA 17 -7.149 8.100 1.748
128 H GLU 18 H GLU 18 -10.489 7.507 1.509
129 HA GLU 18 HA GLU 18 -10.811 10.220 0.741
130 HB3 GLU 18 2HB GLU 18 -13.112 9.279 0.055
131 HG3 GLU 18 2HG GLU 18 -10.701 7.875 -1.186
132 H LEU 19 H LEU 19 -12.529 8.291 3.279
133 HA LEU 19 HA LEU 19 -14.468 10.290 3.927
134 HB3 LEU 19 2HB LEU 19 -13.961 8.974 6.318
135 HG LEU 19 HG LEU 19 -16.081 9.154 5.341
136 HD11 LEU 19 1HD1 LEU 19 -15.683 8.743 2.932
137 HD12 LEU 19 2HD1 LEU 19 -16.940 7.677 3.541
138 HD13 LEU 19 3HD1 LEU 19 -15.307 7.033 3.297
139 HD21 LEU 19 3HD2 LEU 19 -15.723 7.318 6.974
140 HD22 LEU 19 1HD2 LEU 19 -15.313 6.215 5.644
141 HD23 LEU 19 2HD2 LEU 19 -16.958 6.863 5.801
142 H GLY 20 H GLY 20 -11.227 9.778 4.988
143 HA2 GLY 20 1HA GLY 20 -11.091 12.007 6.891
144 HA3 GLY 20 2HA GLY 20 -9.719 11.163 6.175
145 H GLY 21 H GLY 21 -11.213 11.882 3.420
146 HA2 GLY 21 1HA GLY 21 -11.344 13.622 1.985
147 HA3 GLY 21 2HA GLY 21 -10.704 14.739 3.176
148 H ALA 22 H ALA 22 -8.866 11.806 2.639
149 HA ALA 22 HA ALA 22 -6.623 13.347 1.483
150 HB1 ALA 22 1HB ALA 22 -6.959 10.353 1.959
151 HB2 ALA 22 2HB ALA 22 -5.472 11.167 1.447
152 HB3 ALA 22 3HB ALA 22 -6.138 11.496 3.053
153 H PHE 23 H PHE 23 -5.668 12.348 -0.625
154 HA PHE 23 HA PHE 23 -7.873 11.645 -2.504
155 HB3 PHE 23 2HB PHE 23 -5.108 11.974 -3.549
156 HD1 PHE 23 2HD PHE 23 -8.000 14.304 -3.789
157 HD2 PHE 23 1HD PHE 23 -5.907 11.004 -5.639
158 HE1 PHE 23 2HE PHE 23 -9.385 14.558 -5.829
159 HE2 PHE 23 1HE PHE 23 -7.350 11.233 -7.644
160 HZ PHE 23 HZ PHE 23 -9.063 13.029 -7.757
161 H ALA 24 H ALA 24 -8.005 9.547 -3.186
162 HA ALA 24 HA ALA 24 -5.866 7.655 -2.532
163 HB1 ALA 24 1HB ALA 24 -6.985 7.913 -0.432
164 HB2 ALA 24 2HB ALA 24 -8.588 7.888 -1.180
165 HB3 ALA 24 3HB ALA 24 -7.629 6.406 -1.126
166 H THR 25 H THR 25 -5.929 5.904 -3.956
167 HA THR 25 HA THR 25 -8.456 5.089 -5.058
168 HB THR 25 HB THR 25 -7.761 7.067 -6.451
169 HG1 THR 25 1HG THR 25 -8.740 6.200 -8.050
170 HG21 THR 25 3HG2 THR 25 -5.349 6.516 -6.658
171 HG22 THR 25 1HG2 THR 25 -6.156 6.714 -8.228
172 HG23 THR 25 2HG2 THR 25 -5.785 5.086 -7.624
173 H VAL 26 H VAL 26 -8.106 3.247 -6.553
174 HA VAL 26 HA VAL 26 -5.807 1.556 -5.673
175 HB VAL 26 HB VAL 26 -8.109 0.520 -7.335
176 HG11 VAL 26 1HG1 VAL 26 -6.325 -0.832 -5.259
177 HG12 VAL 26 2HG1 VAL 26 -7.466 -1.608 -6.392
178 HG13 VAL 26 3HG1 VAL 26 -6.012 -0.832 -7.001
179 HG21 VAL 26 3HG2 VAL 26 -9.152 -0.356 -5.258
180 HG22 VAL 26 1HG2 VAL 26 -8.063 0.688 -4.299
181 HG23 VAL 26 2HG2 VAL 26 -9.280 1.402 -5.403
182 H ALA 27 H ALA 27 -4.359 0.938 -7.256
183 HA ALA 27 HA ALA 27 -4.690 2.042 -10.010
184 HB1 ALA 27 1HB ALA 27 -3.202 3.467 -8.711
185 HB2 ALA 27 2HB ALA 27 -2.213 2.057 -8.244
186 HB3 ALA 27 3HB ALA 27 -2.281 2.582 -9.936
187 H ARG 28 H ARG 28 -5.206 -0.715 -8.796
188 HA ARG 28 HA ARG 28 -4.317 -2.040 -11.086
189 HB3 ARG 28 2HB ARG 28 -3.393 -3.802 -8.959
190 HG3 ARG 28 2HG ARG 28 -3.018 -4.178 -11.427
191 HD3 ARG 28 2HD ARG 28 -1.026 -1.924 -10.956
192 HE ARG 28 HE ARG 28 -1.100 -3.995 -13.053
193 HH11 ARG 28 1HH1 ARG 28 0.158 -0.763 -12.086
194 HH12 ARG 28 2HH1 ARG 28 1.504 -0.828 -13.129
195 HH21 ARG 28 1HH2 ARG 28 0.717 -4.054 -14.457
196 HH22 ARG 28 2HH2 ARG 28 1.902 -2.777 -14.448
197 H LYS 29 H LYS 29 -5.108 -4.597 -10.772
198 HA LYS 29 HA LYS 29 -7.209 -4.767 -8.749
199 HB3 LYS 29 2HB LYS 29 -7.828 -5.077 -11.721
200 HG3 LYS 29 2HG LYS 29 -9.181 -6.008 -9.303
201 HD3 LYS 29 2HD LYS 29 -11.393 -5.144 -9.650
202 HE3 LYS 29 2HE LYS 29 -9.562 -2.715 -9.517
203 HZ1 LYS 29 3HZ LYS 29 -11.177 -1.831 -8.194
204 HZ2 LYS 29 1HZ LYS 29 -11.886 -3.232 -7.816
205 HZ3 LYS 29 2HZ LYS 29 -12.113 -2.567 -9.322
206 H GLY 30 H GLY 30 -5.663 -6.314 -7.909
207 HA2 GLY 30 1HA GLY 30 -4.857 -8.540 -9.561
208 HA3 GLY 30 2HA GLY 30 -4.517 -8.319 -7.846
209 H ASP 31 H ASP 31 -5.107 -10.701 -7.949
210 HA ASP 31 HA ASP 31 -7.813 -11.565 -8.487
211 HB3 ASP 31 2HB ASP 31 -6.506 -13.279 -6.542
212 H ALA 32 H ALA 32 -9.624 -11.052 -7.194
213 HA ALA 32 HA ALA 32 -9.380 -9.426 -4.949
214 HB1 ALA 32 1HB ALA 32 -11.789 -9.946 -4.557
215 HB2 ALA 32 2HB ALA 32 -11.426 -9.531 -6.237
216 HB3 ALA 32 3HB ALA 32 -11.688 -11.233 -5.772
217 H ARG 33 H ARG 33 -9.403 -12.940 -4.975
218 HA ARG 33 HA ARG 33 -9.383 -13.050 -1.989
219 HB3 ARG 33 2HB ARG 33 -9.065 -15.479 -2.283
220 HG3 ARG 33 2HG ARG 33 -11.464 -14.416 -2.381
221 HD3 ARG 33 2HD ARG 33 -10.918 -15.228 -5.244
222 HE ARG 33 HE ARG 33 -13.716 -14.936 -4.573
223 HH11 ARG 33 1HH1 ARG 33 -11.053 -17.250 -5.213
224 HH12 ARG 33 2HH1 ARG 33 -12.150 -18.377 -5.923
225 HH21 ARG 33 1HH2 ARG 33 -15.068 -16.603 -5.504
226 HH22 ARG 33 2HH2 ARG 33 -14.344 -18.102 -5.941
227 H ALA 34 H ALA 34 -7.114 -13.437 -4.708
228 HA ALA 34 HA ALA 34 -5.076 -14.489 -2.804
229 HB1 ALA 34 1HB ALA 34 -5.722 -15.434 -5.638
230 HB2 ALA 34 2HB ALA 34 -4.564 -16.146 -4.508
231 HB3 ALA 34 3HB ALA 34 -6.282 -16.216 -4.128
232 H GLY 35 H GLY 35 -5.514 -12.011 -5.054
233 HA2 GLY 35 1HA GLY 35 -2.918 -11.655 -6.177
234 HA3 GLY 35 2HA GLY 35 -4.098 -10.434 -5.856
235 H ALA 36 H ALA 36 -1.207 -10.411 -5.378
236 HA ALA 36 HA ALA 36 -0.959 -10.106 -2.416
237 HB1 ALA 36 1HB ALA 36 1.336 -9.369 -2.918
238 HB2 ALA 36 2HB ALA 36 0.988 -10.920 -3.715
239 HB3 ALA 36 3HB ALA 36 0.986 -9.421 -4.664
240 H VAL 37 H VAL 37 -0.071 -7.755 -1.725
241 HA VAL 37 HA VAL 37 -1.339 -5.632 -3.433
242 HB VAL 37 HB VAL 37 -1.422 -5.823 -0.402
243 HG11 VAL 37 1HG1 VAL 37 -1.599 -3.513 -1.159
244 HG12 VAL 37 2HG1 VAL 37 -2.807 -3.948 -2.377
245 HG13 VAL 37 3HG1 VAL 37 -3.206 -4.052 -0.656
246 HG21 VAL 37 3HG2 VAL 37 -3.828 -6.272 -0.582
247 HG22 VAL 37 1HG2 VAL 37 -3.649 -6.505 -2.339
248 HG23 VAL 37 2HG2 VAL 37 -2.848 -7.593 -1.192
249 H LEU 38 H LEU 38 -0.120 -3.839 -3.759
250 HA LEU 38 HA LEU 38 2.090 -3.231 -1.867
251 HB3 LEU 38 2HB LEU 38 2.631 -1.480 -3.790
252 HG LEU 38 HG LEU 38 3.335 -4.381 -4.299
253 HD11 LEU 38 1HD1 LEU 38 3.744 -2.783 -6.156
254 HD12 LEU 38 2HD1 LEU 38 5.244 -3.432 -5.487
255 HD13 LEU 38 3HD1 LEU 38 4.721 -1.774 -5.077
256 HD21 LEU 38 3HD2 LEU 38 4.859 -2.292 -2.663
257 HD22 LEU 38 1HD2 LEU 38 5.402 -3.940 -3.084
258 HD23 LEU 38 2HD2 LEU 38 4.047 -3.738 -2.027
259 H VAL 39 H VAL 39 2.389 -1.095 -1.254
260 HA VAL 39 HA VAL 39 0.070 0.724 -1.255
261 HB VAL 39 HB VAL 39 1.620 -0.686 0.968
262 HG11 VAL 39 1HG1 VAL 39 0.218 1.075 2.442
263 HG12 VAL 39 2HG1 VAL 39 1.848 1.448 1.808
264 HG13 VAL 39 3HG1 VAL 39 0.476 2.055 0.989
265 HG21 VAL 39 3HG2 VAL 39 -0.538 -1.661 0.258
266 HG22 VAL 39 1HG2 VAL 39 -0.618 -1.042 1.905
267 HG23 VAL 39 2HG2 VAL 39 -1.349 -0.112 0.564
268 H LYS 40 H LYS 40 0.790 2.943 -1.565
269 HA LYS 40 HA LYS 40 3.588 3.467 -0.813
270 HB3 LYS 40 2HB LYS 40 2.517 3.473 -3.641
271 HG3 LYS 40 2HG LYS 40 5.031 4.395 -3.947
272 HD3 LYS 40 2HD LYS 40 2.668 6.301 -3.791
273 HE3 LYS 40 2HE LYS 40 5.115 7.038 -4.080
274 HZ1 LYS 40 3HZ LYS 40 4.697 6.189 -6.854
275 HZ2 LYS 40 1HZ LYS 40 5.636 5.309 -5.769
276 HZ3 LYS 40 2HZ LYS 40 6.038 6.846 -6.165
277 H ALA 41 H ALA 41 3.636 5.350 0.247
278 HA ALA 41 HA ALA 41 1.136 7.000 0.311
279 HB1 ALA 41 1HB ALA 41 1.926 5.682 2.464
280 HB2 ALA 41 2HB ALA 41 3.253 6.853 2.518
281 HB3 ALA 41 3HB ALA 41 1.576 7.409 2.612
282 H VAL 42 H VAL 42 1.353 9.240 -0.007
283 HA VAL 42 HA VAL 42 4.122 10.209 -0.573
284 HB VAL 42 HB VAL 42 1.655 11.600 -1.597
285 HG11 VAL 42 1HG1 VAL 42 3.983 12.540 -1.788
286 HG12 VAL 42 2HG1 VAL 42 4.430 11.110 -2.758
287 HG13 VAL 42 3HG1 VAL 42 3.208 12.260 -3.354
288 HG21 VAL 42 3HG2 VAL 42 1.230 9.293 -2.378
289 HG22 VAL 42 1HG2 VAL 42 1.717 10.351 -3.712
290 HG23 VAL 42 2HG2 VAL 42 2.866 9.207 -3.038
291 H ASP 43 H ASP 43 4.929 11.806 0.746
292 HA ASP 43 HA ASP 43 3.076 13.131 2.654
293 HB3 ASP 43 2HB ASP 43 6.102 13.250 2.672
294 H ARG 44 H ARG 44 2.138 14.733 1.571
295 HA ARG 44 HA ARG 44 3.667 16.360 -0.384
296 HB3 ARG 44 2HB ARG 44 1.407 17.406 -0.757
297 HG3 ARG 44 2HG ARG 44 0.281 15.064 -1.354
298 HD3 ARG 44 2HD ARG 44 2.095 14.817 -3.233
299 HE ARG 44 HE ARG 44 -0.088 15.924 -3.406
300 HH11 ARG 44 1HH1 ARG 44 2.962 17.485 -4.314
301 HH12 ARG 44 2HH1 ARG 44 2.224 18.872 -5.016
302 HH21 ARG 44 1HH2 ARG 44 -1.068 17.885 -4.191
303 HH22 ARG 44 2HH2 ARG 44 -0.143 18.860 -5.298
304 H ARG 45 H ARG 45 3.183 16.569 3.066
305 HA ARG 45 HA ARG 45 3.225 19.510 3.121
306 HB3 ARG 45 2HB ARG 45 4.079 18.735 5.578
307 HG3 ARG 45 2HG ARG 45 1.229 18.555 4.573
308 HD3 ARG 45 2HD ARG 45 2.502 18.835 7.325
309 HE ARG 45 HE ARG 45 -0.233 19.089 7.586
310 HH11 ARG 45 1HH1 ARG 45 2.659 21.067 7.143
311 HH12 ARG 45 2HH1 ARG 45 1.866 22.553 7.506
312 HH21 ARG 45 1HH2 ARG 45 -1.280 21.089 8.204
313 HH22 ARG 45 2HH2 ARG 45 -0.266 22.499 8.297
314 H GLU 46 H GLU 46 5.454 16.864 4.014
315 HA GLU 46 HA GLU 46 7.684 18.690 4.288
316 HB3 GLU 46 2HB GLU 46 8.929 16.675 4.830
317 HG3 GLU 46 2HG GLU 46 6.433 15.856 6.179
318 H GLY 47 H GLY 47 6.472 16.534 1.777
319 HA2 GLY 47 1HA GLY 47 7.129 16.455 -0.476
320 HA3 GLY 47 2HA GLY 47 8.542 17.442 -0.117
321 H THR 48 H THR 48 7.272 14.368 1.342
322 HA THR 48 HA THR 48 9.680 12.958 0.342
323 HB THR 48 HB THR 48 9.654 11.629 2.489
324 HG1 THR 48 1HG THR 48 8.899 13.065 4.279
325 HG21 THR 48 3HG2 THR 48 10.320 14.591 2.793
326 HG22 THR 48 1HG2 THR 48 11.345 13.395 1.983
327 HG23 THR 48 2HG2 THR 48 11.017 13.238 3.709
328 H ALA 49 H ALA 49 9.209 10.436 0.777
329 HA ALA 49 HA ALA 49 6.441 9.722 0.112
330 HB1 ALA 49 1HB ALA 49 8.923 9.304 -1.604
331 HB2 ALA 49 2HB ALA 49 7.513 8.258 -1.759
332 HB3 ALA 49 3HB ALA 49 7.383 10.006 -2.086
333 H ARG 50 H ARG 50 6.106 7.454 0.338
334 HA ARG 50 HA ARG 50 8.163 5.795 1.700
335 HB3 ARG 50 2HB ARG 50 6.550 4.796 3.233
336 HG3 ARG 50 2HG ARG 50 5.647 6.695 4.587
337 HD3 ARG 50 2HD ARG 50 8.536 6.292 3.919
338 HE ARG 50 HE ARG 50 9.020 8.405 4.381
339 HH11 ARG 50 1HH1 ARG 50 6.370 7.599 6.618
340 HH12 ARG 50 2HH1 ARG 50 6.361 9.153 7.371
341 HH21 ARG 50 1HH2 ARG 50 9.078 10.342 5.369
342 HH22 ARG 50 2HH2 ARG 50 7.954 10.845 6.594
343 H LEU 51 H LEU 51 7.442 3.455 1.641
344 HA LEU 51 HA LEU 51 5.553 2.694 -0.495
345 HB3 LEU 51 2HB LEU 51 8.361 1.594 -0.710
346 HG LEU 51 HG LEU 51 6.415 2.457 -2.882
347 HD11 LEU 51 1HD1 LEU 51 8.544 0.417 -3.358
348 HD12 LEU 51 2HD1 LEU 51 9.118 2.050 -3.008
349 HD13 LEU 51 3HD1 LEU 51 7.989 1.797 -4.340
350 HD21 LEU 51 3HD2 LEU 51 6.868 -0.393 -1.861
351 HD22 LEU 51 1HD2 LEU 51 6.089 0.045 -3.406
352 HD23 LEU 51 2HD2 LEU 51 5.337 0.516 -1.892
353 H PHE 52 H PHE 52 4.443 0.993 0.473
354 HA PHE 52 HA PHE 52 6.059 -0.773 2.252
355 HB3 PHE 52 2HB PHE 52 4.263 -1.317 3.583
356 HD1 PHE 52 1HD PHE 52 6.226 0.867 3.856
357 HD2 PHE 52 2HD PHE 52 1.967 0.892 3.993
358 HE1 PHE 52 1HE PHE 52 6.296 3.059 5.064
359 HE2 PHE 52 2HE PHE 52 1.998 3.059 5.233
360 HZ PHE 52 HZ PHE 52 4.168 4.158 5.737
361 H SER 53 H SER 53 5.725 -2.984 2.215
362 HA SER 53 HA SER 53 4.160 -4.160 0.014
363 HB3 SER 53 2HB SER 53 7.064 -4.773 0.748
364 HG SER 53 HG SER 53 5.242 -5.872 -1.098
365 H GLU 54 H GLU 54 3.406 -6.260 0.533
366 HA GLU 54 HA GLU 54 3.104 -6.706 3.403
367 HB3 GLU 54 2HB GLU 54 1.164 -6.914 1.891
368 HG3 GLU 54 2HG GLU 54 2.667 -9.303 0.829
369 H ALA 55 H ALA 55 3.971 -8.416 4.556
370 HA ALA 55 HA ALA 55 5.314 -10.627 3.226
371 HB1 ALA 55 1HB ALA 55 6.688 -8.853 5.294
372 HB2 ALA 55 2HB ALA 55 7.283 -10.432 4.769
373 HB3 ALA 55 3HB ALA 55 7.211 -9.076 3.608
374 H THR 56 H THR 56 5.781 -12.293 5.177
375 HA THR 56 HA THR 56 3.850 -11.861 7.373
376 HB THR 56 HB THR 56 3.776 -14.610 6.646
377 HG1 THR 56 1HG THR 56 2.765 -14.494 4.648
378 HG21 THR 56 3HG2 THR 56 1.350 -14.213 6.381
379 HG22 THR 56 1HG2 THR 56 1.639 -12.467 6.262
380 HG23 THR 56 2HG2 THR 56 1.965 -13.356 7.775
381 H ARG 57 H ARG 57 4.347 -12.907 9.287
382 HA ARG 57 HA ARG 57 7.117 -13.542 9.630
383 HB3 ARG 57 2HB ARG 57 6.160 -12.280 11.306
384 HG3 ARG 57 2HG ARG 57 4.147 -14.468 11.717
385 HD3 ARG 57 2HD ARG 57 5.094 -14.091 13.934
386 HE ARG 57 HE ARG 57 5.843 -11.598 13.399
387 HH11 ARG 57 1HH1 ARG 57 3.269 -12.685 15.672
388 HH12 ARG 57 2HH1 ARG 57 3.364 -11.234 16.582
389 HH21 ARG 57 1HH2 ARG 57 6.113 -9.914 14.757
390 HH22 ARG 57 2HH2 ARG 57 5.215 -9.737 16.249
391 H GLY 58 H GLY 58 6.885 -15.739 11.686
392 HA2 GLY 58 1HA GLY 58 6.566 -18.075 9.892
393 HA3 GLY 58 2HA GLY 58 7.077 -18.061 11.582
394 H ASP 59 H ASP 59 4.510 -16.124 11.691
395 HA ASP 59 HA ASP 59 2.913 -18.294 12.905
396 HB3 ASP 59 2HB ASP 59 2.495 -15.457 13.662
397 H GLY 60 H GLY 60 2.706 -16.545 10.143
398 HA2 GLY 60 1HA GLY 60 1.071 -15.674 8.789
399 HA3 GLY 60 2HA GLY 60 -0.144 -16.525 9.738
400 H GLU 61 H GLU 61 2.267 -13.721 10.310
401 HA GLU 61 HA GLU 61 -0.140 -12.138 10.874
402 HB3 GLU 61 2HB GLU 61 2.487 -11.432 12.200
403 HG3 GLU 61 2HG GLU 61 -0.448 -10.988 12.804
404 H ARG 62 H ARG 62 -0.295 -10.902 9.078
405 HA ARG 62 HA ARG 62 1.958 -10.559 7.298
406 HB3 ARG 62 2HB ARG 62 -0.666 -9.055 7.333
407 HG3 ARG 62 2HG ARG 62 1.157 -9.720 4.969
408 HD3 ARG 62 2HD ARG 62 -0.368 -7.748 4.067
409 HE ARG 62 HE ARG 62 -0.610 -9.771 2.891
410 HH11 ARG 62 1HH1 ARG 62 -2.828 -9.728 5.756
411 HH12 ARG 62 2HH1 ARG 62 -3.666 -11.119 5.147
412 HH21 ARG 62 1HH2 ARG 62 -2.123 -11.129 1.998
413 HH22 ARG 62 2HH2 ARG 62 -3.366 -11.868 2.926
414 H PHE 63 H PHE 63 3.193 -8.709 7.082
415 HA PHE 63 HA PHE 63 2.685 -6.393 8.837
416 HB3 PHE 63 2HB PHE 63 4.342 -7.602 10.048
417 HD1 PHE 63 2HD PHE 63 5.014 -9.798 8.940
418 HD2 PHE 63 1HD PHE 63 6.929 -6.033 8.061
419 HE1 PHE 63 2HE PHE 63 7.046 -11.002 8.142
420 HE2 PHE 63 1HE PHE 63 8.989 -7.269 7.363
421 HZ PHE 63 HZ PHE 63 9.005 -9.735 7.334
422 H TRP 64 H TRP 64 3.348 -4.438 7.893
423 HA TRP 64 HA TRP 64 3.727 -4.477 4.954
424 HB3 TRP 64 2HB TRP 64 3.304 -1.982 5.331
425 HD1 TRP 64 HD TRP 64 0.419 -2.699 7.453
426 HE1 TRP 64 1HE TRP 64 -1.634 -3.320 6.046
427 HE3 TRP 64 3HE TRP 64 2.689 -3.378 2.903
428 HZ2 TRP 64 2HZ TRP 64 -2.226 -4.035 3.347
429 HZ3 TRP 64 3HZ TRP 64 1.364 -4.014 0.926
430 HH2 TRP 64 HH TRP 64 -1.099 -4.358 1.140
431 H MET 65 H MET 65 5.932 -4.782 4.575
432 HA MET 65 HA MET 65 7.860 -3.284 6.296
433 HB3 MET 65 2HB MET 65 8.307 -5.652 6.012
434 HG3 MET 65 2HG MET 65 7.764 -5.162 3.193
435 HE1 MET 65 3HE MET 65 10.828 -6.327 5.271
436 HE2 MET 65 1HE MET 65 10.431 -7.855 4.466
437 HE3 MET 65 2HE MET 65 11.930 -6.964 4.051
438 H GLN 66 H GLN 66 9.798 -2.385 5.108
439 HA GLN 66 HA GLN 66 8.893 -0.857 2.718
440 HB3 GLN 66 2HB GLN 66 10.503 0.863 3.527
441 HG3 GLN 66 2HG GLN 66 8.250 0.274 5.484
442 HE21 GLN 66 1HE2 GLN 66 11.057 2.046 5.017
443 HE22 GLN 66 2HE2 GLN 66 10.769 3.392 6.094
444 HA PRO 67 HA PRO 67 12.364 -3.690 1.622
445 HB3 PRO 67 2HB PRO 67 10.960 -5.059 0.414
446 HG3 PRO 67 2HG PRO 67 8.977 -4.182 -0.590
447 HD3 PRO 67 2HD PRO 67 8.939 -3.587 1.695
448 H VAL 68 H VAL 68 11.243 -0.733 0.008
449 HA VAL 68 HA VAL 68 13.660 -0.581 -1.652
450 HB VAL 68 HB VAL 68 11.383 1.411 -1.297
451 HG11 VAL 68 1HG1 VAL 68 12.406 2.423 -3.396
452 HG12 VAL 68 2HG1 VAL 68 13.378 2.643 -1.945
453 HG13 VAL 68 3HG1 VAL 68 13.836 1.398 -3.132
454 HG21 VAL 68 3HG2 VAL 68 12.153 -0.610 -3.442
455 HG22 VAL 68 1HG2 VAL 68 10.678 -0.626 -2.451
456 HG23 VAL 68 2HG2 VAL 68 10.924 0.643 -3.658
457 H ARG 69 H ARG 69 15.335 -0.594 -0.296
458 HA ARG 69 HA ARG 69 15.709 1.419 1.795
459 HB3 ARG 69 2HB ARG 69 17.780 -0.402 0.547
460 HG3 ARG 69 2HG ARG 69 18.821 -0.572 2.631
461 HD3 ARG 69 2HD ARG 69 19.042 1.889 1.718
462 HE ARG 69 HE ARG 69 17.376 3.229 2.684
463 HH11 ARG 69 1HH1 ARG 69 18.838 1.226 5.248
464 HH12 ARG 69 2HH1 ARG 69 18.034 2.029 6.533
465 HH21 ARG 69 1HH2 ARG 69 16.318 4.272 4.315
466 HH22 ARG 69 2HH2 ARG 69 16.721 4.000 5.987
467 H SER 70 H SER 70 14.999 2.991 0.018
468 HA SER 70 HA SER 70 17.359 4.460 -0.868
469 HB3 SER 70 2HB SER 70 15.072 3.780 -2.779
470 HG SER 70 HG SER 70 16.468 4.879 -4.278
471 H THR 71 H THR 71 16.629 6.711 -1.492
472 HA THR 71 HA THR 71 14.146 7.604 -0.130
473 HB THR 71 HB THR 71 15.918 9.738 0.089
474 HG1 THR 71 1HG THR 71 17.881 9.005 0.185
475 HG21 THR 71 3HG2 THR 71 16.021 9.137 2.477
476 HG22 THR 71 1HG2 THR 71 15.463 7.495 2.108
477 HG23 THR 71 2HG2 THR 71 14.390 8.882 1.848
478 H PHE 72 H PHE 72 15.621 7.213 -3.101
479 HA PHE 72 HA PHE 72 15.032 9.769 -4.299
480 HB3 PHE 72 2HB PHE 72 15.166 8.123 -6.418
481 HD1 PHE 72 1HD PHE 72 16.147 10.695 -6.094
482 HD2 PHE 72 2HD PHE 72 18.204 6.976 -5.369
483 HE1 PHE 72 1HE PHE 72 18.318 11.846 -6.381
484 HE2 PHE 72 2HE PHE 72 20.383 8.136 -5.656
485 HZ PHE 72 HZ PHE 72 20.437 10.580 -6.132
486 H GLU 73 H GLU 73 13.159 10.499 -5.105
487 HA GLU 73 HA GLU 73 10.659 9.384 -4.839
488 HB3 GLU 73 2HB GLU 73 9.871 11.018 -6.328
489 HG3 GLU 73 2HG GLU 73 12.534 12.224 -5.526
490 HA PRO 74 HA PRO 74 10.712 7.478 -9.192
491 HB3 PRO 74 2HB PRO 74 12.307 8.298 -10.652
492 HG3 PRO 74 2HG PRO 74 14.513 8.866 -9.834
493 HD3 PRO 74 2HD PRO 74 12.754 10.051 -8.687
494 H ASP 75 H ASP 75 13.073 6.427 -6.749
495 HA ASP 75 HA ASP 75 13.040 3.637 -7.558
496 HB3 ASP 75 2HB ASP 75 14.042 3.362 -5.203
497 H LEU 76 H LEU 76 11.054 5.749 -5.682
498 HA LEU 76 HA LEU 76 9.672 3.582 -4.275
499 HB3 LEU 76 2HB LEU 76 8.500 5.498 -3.151
500 HG LEU 76 HG LEU 76 11.546 5.736 -3.228
501 HD11 LEU 76 1HD1 LEU 76 9.600 7.071 -1.329
502 HD12 LEU 76 2HD1 LEU 76 10.510 7.864 -2.646
503 HD13 LEU 76 3HD1 LEU 76 11.380 7.164 -1.274
504 HD21 LEU 76 3HD2 LEU 76 10.645 3.629 -2.197
505 HD22 LEU 76 1HD2 LEU 76 9.758 4.634 -1.024
506 HD23 LEU 76 2HD2 LEU 76 11.532 4.656 -1.062
507 H ASP 77 H ASP 77 9.396 5.142 -7.199
508 HA ASP 77 HA ASP 77 6.506 4.323 -7.458
509 HB3 ASP 77 2HB ASP 77 8.075 5.915 -9.512
510 H ALA 78 H ALA 78 9.684 4.018 -9.064
511 HA ALA 78 HA ALA 78 9.028 2.209 -11.064
512 HB1 ALA 78 1HB ALA 78 11.233 3.347 -10.825
513 HB2 ALA 78 2HB ALA 78 11.604 2.334 -9.416
514 HB3 ALA 78 3HB ALA 78 11.420 1.598 -11.022
515 H TYR 79 H TYR 79 9.513 1.533 -7.596
516 HA TYR 79 HA TYR 79 9.817 -1.309 -7.830
517 HB3 TYR 79 2HB TYR 79 8.416 0.189 -5.623
518 HD1 TYR 79 1HD TYR 79 7.159 -1.928 -5.086
519 HD2 TYR 79 2HD TYR 79 11.456 -1.834 -5.230
520 HE1 TYR 79 1HE TYR 79 7.245 -4.174 -4.079
521 HE2 TYR 79 2HE TYR 79 11.555 -3.962 -4.009
522 HH TYR 79 HH TYR 79 10.375 -5.812 -3.340
523 H ALA 80 H ALA 80 6.868 0.799 -7.634
524 HA ALA 80 HA ALA 80 5.098 -1.497 -7.455
525 HB1 ALA 80 1HB ALA 80 3.328 0.216 -7.631
526 HB2 ALA 80 2HB ALA 80 4.518 0.614 -6.374
527 HB3 ALA 80 3HB ALA 80 4.555 1.459 -7.950
528 H GLU 81 H GLU 81 6.507 0.453 -10.063
529 HA GLU 81 HA GLU 81 4.709 -0.595 -12.080
530 HB3 GLU 81 2HB GLU 81 6.458 0.088 -13.697
531 HG3 GLU 81 2HG GLU 81 6.416 2.518 -11.974
532 H ARG 82 H ARG 82 7.875 -1.419 -10.725
533 HA ARG 82 HA ARG 82 8.425 -3.560 -12.412
534 HB3 ARG 82 2HB ARG 82 9.319 -3.089 -9.530
535 HG3 ARG 82 2HG ARG 82 10.775 -4.695 -11.658
536 HD3 ARG 82 2HD ARG 82 11.359 -5.103 -8.779
537 HE ARG 82 HE ARG 82 12.768 -5.735 -10.899
538 HH11 ARG 82 1HH1 ARG 82 13.502 -3.068 -8.637
539 HH12 ARG 82 2HH1 ARG 82 15.040 -2.745 -9.353
540 HH21 ARG 82 1HH2 ARG 82 14.791 -5.384 -11.723
541 HH22 ARG 82 2HH2 ARG 82 15.863 -4.176 -11.076
542 H ALA 83 H ALA 83 7.011 -3.711 -9.094
543 HA ALA 83 HA ALA 83 7.145 -6.487 -8.893
544 HB1 ALA 83 1HB ALA 83 5.127 -4.583 -7.635
545 HB2 ALA 83 2HB ALA 83 5.467 -6.237 -7.095
546 HB3 ALA 83 3HB ALA 83 6.725 -4.994 -6.978
547 H ALA 84 H ALA 84 4.641 -4.474 -10.341
548 HA ALA 84 HA ALA 84 2.670 -6.488 -10.654
549 HB1 ALA 84 1HB ALA 84 2.176 -4.061 -10.654
550 HB2 ALA 84 2HB ALA 84 3.095 -3.870 -12.154
551 HB3 ALA 84 3HB ALA 84 1.586 -4.842 -12.122
552 H ARG 85 H ARG 85 5.620 -6.358 -12.237
553 HA ARG 85 HA ARG 85 4.559 -7.474 -14.796
554 HB3 ARG 85 2HB ARG 85 6.923 -7.010 -15.586
555 HG3 ARG 85 2HG ARG 85 5.308 -4.698 -14.416
556 HD3 ARG 85 2HD ARG 85 7.812 -4.557 -16.139
557 HE ARG 85 HE ARG 85 5.726 -2.682 -15.801
558 HH11 ARG 85 1HH1 ARG 85 9.309 -2.565 -15.348
559 HH12 ARG 85 2HH1 ARG 85 9.414 -1.137 -16.344
560 HH21 ARG 85 1HH2 ARG 85 5.961 -0.569 -16.481
561 HH22 ARG 85 2HH2 ARG 85 7.496 0.224 -16.544
562 H ILE 86 H ILE 86 5.600 -8.596 -11.831
563 HA ILE 86 HA ILE 86 6.424 -11.192 -13.025
564 HB ILE 86 HB ILE 86 7.764 -10.089 -10.523
565 HG13 ILE 86 2HG1 ILE 86 8.622 -9.815 -13.418
566 HG21 ILE 86 1HG2 ILE 86 7.729 -12.539 -10.701
567 HG22 ILE 86 2HG2 ILE 86 8.373 -12.467 -12.347
568 HG23 ILE 86 3HG2 ILE 86 9.365 -11.961 -10.959
569 HD11 ILE 86 3HD1 ILE 86 8.029 -7.749 -12.216
570 HD12 ILE 86 1HD1 ILE 86 9.170 -8.149 -10.918
571 HD13 ILE 86 2HD1 ILE 86 9.765 -7.788 -12.549
572 H ASP 87 H ASP 87 4.801 -9.423 -10.321
573 HA ASP 87 HA ASP 87 3.885 -11.946 -9.154
574 HB3 ASP 87 2HB ASP 87 2.082 -9.888 -8.488
575 HA PRO 88 HA PRO 88 1.098 -12.900 -12.239
576 HB3 PRO 88 2HB PRO 88 0.868 -14.941 -11.224
577 HG3 PRO 88 2HG PRO 88 0.784 -15.149 -8.860
578 HD3 PRO 88 2HD PRO 88 2.656 -13.829 -9.281
579 H ASP 89 H ASP 89 -0.454 -11.425 -9.328
580 HA ASP 89 HA ASP 89 -1.572 -9.422 -10.907
581 HB3 ASP 89 2HB ASP 89 -3.991 -10.485 -9.746
582 H ILE 90 H ILE 90 -0.686 -8.096 -9.521
583 HA ILE 90 HA ILE 90 -1.246 -8.314 -6.629
584 HB ILE 90 HB ILE 90 1.035 -8.430 -7.225
585 HG13 ILE 90 2HG1 ILE 90 0.411 -6.986 -5.246
586 HG21 ILE 90 1HG2 ILE 90 0.676 -5.859 -8.820
587 HG22 ILE 90 2HG2 ILE 90 2.241 -6.618 -8.474
588 HG23 ILE 90 3HG2 ILE 90 1.070 -7.470 -9.462
589 HD11 ILE 90 3HD1 ILE 90 2.757 -7.830 -5.771
590 HD12 ILE 90 1HD1 ILE 90 3.071 -6.235 -6.491
591 HD13 ILE 90 2HD1 ILE 90 2.654 -6.378 -4.765
592 H TRP 91 H TRP 91 -2.057 -6.544 -5.523
593 HA TRP 91 HA TRP 91 -3.589 -4.540 -7.060
594 HB3 TRP 91 2HB TRP 91 -4.405 -3.894 -4.768
595 HD1 TRP 91 HD TRP 91 -4.195 -7.766 -5.234
596 HE1 TRP 91 1HE TRP 91 -6.487 -8.677 -5.503
597 HE3 TRP 91 3HE TRP 91 -6.792 -3.411 -5.055
598 HZ2 TRP 91 2HZ TRP 91 -9.187 -7.608 -6.164
599 HZ3 TRP 91 3HZ TRP 91 -9.253 -3.352 -5.527
600 HH2 TRP 91 HH TRP 91 -10.445 -5.461 -6.126
601 H VAL 92 H VAL 92 -3.331 -2.242 -6.552
602 HA VAL 92 HA VAL 92 -0.834 -1.443 -5.198
603 HB VAL 92 HB VAL 92 -1.749 -0.513 -7.957
604 HG11 VAL 92 1HG1 VAL 92 -0.720 1.318 -6.571
605 HG12 VAL 92 2HG1 VAL 92 0.718 0.319 -6.337
606 HG13 VAL 92 3HG1 VAL 92 0.282 0.898 -7.961
607 HG21 VAL 92 3HG2 VAL 92 0.807 -1.996 -7.224
608 HG22 VAL 92 1HG2 VAL 92 -0.559 -2.701 -8.101
609 HG23 VAL 92 2HG2 VAL 92 0.349 -1.388 -8.844
610 H VAL 93 H VAL 93 -1.398 0.246 -3.765
611 HA VAL 93 HA VAL 93 -4.000 1.588 -4.205
612 HB VAL 93 HB VAL 93 -3.137 0.779 -1.418
613 HG11 VAL 93 1HG1 VAL 93 -4.996 2.407 -1.853
614 HG12 VAL 93 2HG1 VAL 93 -5.864 1.172 -2.770
615 HG13 VAL 93 3HG1 VAL 93 -5.570 0.951 -1.030
616 HG21 VAL 93 3HG2 VAL 93 -4.729 -1.047 -3.282
617 HG22 VAL 93 1HG2 VAL 93 -3.168 -1.408 -2.509
618 HG23 VAL 93 2HG2 VAL 93 -4.610 -1.222 -1.516
619 H GLU 94 H GLU 94 -3.801 3.753 -4.070
620 HA GLU 94 HA GLU 94 -1.118 4.795 -3.366
621 HB3 GLU 94 2HB GLU 94 -1.464 6.218 -5.417
622 HG3 GLU 94 2HG GLU 94 -1.752 4.482 -7.248
623 H ILE 95 H ILE 95 -1.238 6.243 -1.715
624 HA ILE 95 HA ILE 95 -3.672 7.947 -1.563
625 HB ILE 95 HB ILE 95 -2.127 6.891 0.821
626 HG13 ILE 95 2HG1 ILE 95 -3.784 5.194 1.244
627 HG21 ILE 95 1HG2 ILE 95 -4.223 7.392 2.119
628 HG22 ILE 95 2HG2 ILE 95 -3.412 8.822 1.451
629 HG23 ILE 95 3HG2 ILE 95 -4.865 8.177 0.663
630 HD11 ILE 95 3HD1 ILE 95 -5.835 5.913 0.206
631 HD12 ILE 95 1HD1 ILE 95 -5.028 6.038 -1.391
632 HD13 ILE 95 2HD1 ILE 95 -5.273 4.475 -0.678
633 H GLU 96 H GLU 96 -3.510 9.921 -1.423
634 HA GLU 96 HA GLU 96 -0.895 11.258 -1.318
635 HB3 GLU 96 2HB GLU 96 -3.062 12.686 -2.653
636 HG3 GLU 96 2HG GLU 96 -1.527 11.619 -4.598
637 H ASP 97 H ASP 97 -0.819 11.592 0.753
638 HA ASP 97 HA ASP 97 -3.110 12.953 2.186
639 HB3 ASP 97 2HB ASP 97 -0.710 11.645 3.519
640 H ARG 98 H ARG 98 -1.921 14.298 4.087
641 HA ARG 98 HA ARG 98 0.093 16.156 2.895
642 HB3 ARG 98 2HB ARG 98 -0.187 17.097 5.335
643 HG3 ARG 98 2HG ARG 98 -2.602 17.310 3.546
644 HD3 ARG 98 2HD ARG 98 -0.972 19.476 4.941
645 HE ARG 98 HE ARG 98 -2.851 19.602 2.890
646 HH11 ARG 98 1HH1 ARG 98 -2.445 21.188 6.089
647 HH12 ARG 98 2HH1 ARG 98 -3.033 22.711 5.459
648 HH21 ARG 98 1HH2 ARG 98 -3.940 21.578 2.321
649 HH22 ARG 98 2HH2 ARG 98 -3.870 22.904 3.432
650 H ASP 99 H ASP 99 -0.384 13.959 5.719
651 HA ASP 99 HA ASP 99 2.503 14.343 6.376
652 HB3 ASP 99 2HB ASP 99 0.233 13.226 8.017
653 H GLY 100 H GLY 100 2.069 12.674 4.204
654 HA2 GLY 100 1HA GLY 100 2.996 10.727 3.392
655 HA3 GLY 100 2HA GLY 100 3.867 10.723 4.919
656 H ARG 101 H ARG 101 0.448 10.365 5.116
657 HA ARG 101 HA ARG 101 0.870 7.640 6.124
658 HB3 ARG 101 2HB ARG 101 0.026 9.085 7.748
659 HG3 ARG 101 2HG ARG 101 -2.246 9.640 5.797
660 HD3 ARG 101 2HD ARG 101 -2.842 9.402 8.376
661 HE ARG 101 HE ARG 101 -2.430 12.251 8.522
662 HH11 ARG 101 1HH1 ARG 101 -0.913 9.223 9.632
663 HH12 ARG 101 2HH1 ARG 101 0.199 10.042 10.678
664 HH21 ARG 101 1HH2 ARG 101 -1.157 13.240 9.948
665 HH22 ARG 101 2HH2 ARG 101 0.252 12.433 10.560
666 H HIS 102 H HIS 102 -0.900 6.103 5.980
667 HA HIS 102 HA HIS 102 -2.075 6.050 3.249
668 HB3 HIS 102 2HB HIS 102 -1.152 3.480 4.487
669 HD1 HIS 102 1HD HIS 102 -2.561 2.425 2.253
670 HD2 HIS 102 2HD HIS 102 0.012 5.636 1.590
671 HE1 HIS 102 1HE HIS 102 -2.136 2.454 -0.233
672 H PHE 103 H PHE 103 -2.872 5.955 6.505
673 HA PHE 103 HA PHE 103 -4.736 5.402 7.641
674 HB3 PHE 103 2HB PHE 103 -6.891 5.502 6.143
675 HD1 PHE 103 2HD PHE 103 -6.205 6.866 8.498
676 HD2 PHE 103 1HD PHE 103 -5.634 8.209 4.425
677 HE1 PHE 103 2HE PHE 103 -6.213 9.192 9.268
678 HE2 PHE 103 1HE PHE 103 -5.761 10.553 5.201
679 HZ PHE 103 HZ PHE 103 -6.004 11.054 7.627
680 H LEU 104 H LEU 104 -3.121 3.166 6.647
681 HA LEU 104 HA LEU 104 -4.757 0.825 6.378
682 HB3 LEU 104 2HB LEU 104 -2.642 -0.345 7.232
683 HG LEU 104 HG LEU 104 -2.398 1.567 4.898
684 HD11 LEU 104 1HD1 LEU 104 -0.300 0.218 4.345
685 HD12 LEU 104 2HD1 LEU 104 -0.344 -0.374 6.007
686 HD13 LEU 104 3HD1 LEU 104 -0.141 1.357 5.687
687 HD21 LEU 104 3HD2 LEU 104 -2.572 -1.457 5.022
688 HD22 LEU 104 1HD2 LEU 104 -2.495 -0.466 3.550
689 HD23 LEU 104 2HD2 LEU 104 -3.906 -0.397 4.620
690 H THR 105 H THR 105 -4.486 -0.952 8.197
691 HA THR 105 HA THR 105 -4.945 0.146 10.924
692 HB THR 105 HB THR 105 -7.160 -0.086 9.863
693 HG1 THR 105 1HG THR 105 -6.487 -1.995 11.840
694 HG21 THR 105 3HG2 THR 105 -8.075 -2.360 9.392
695 HG22 THR 105 1HG2 THR 105 -6.452 -3.023 9.438
696 HG23 THR 105 2HG2 THR 105 -6.893 -1.810 8.211
697 H GLU 106 H GLU 106 -2.568 -1.082 9.726
698 HA GLU 106 HA GLU 106 -2.421 -3.686 11.120
699 HB3 GLU 106 2HB GLU 106 -1.339 -4.539 8.954
700 HG3 GLU 106 2HG GLU 106 -4.326 -3.950 8.942
701 HA PRO 107 HA PRO 107 1.538 -2.093 12.193
702 HB3 PRO 107 2HB PRO 107 1.817 -3.956 13.479
703 HG3 PRO 107 2HG PRO 107 1.287 -6.140 12.659
704 HD3 PRO 107 2HD PRO 107 -0.659 -4.834 12.384
705 H VAL 108 H VAL 108 3.553 -1.311 11.426
706 HA VAL 108 HA VAL 108 4.293 -2.095 8.676
707 HB VAL 108 HB VAL 108 4.169 0.784 9.588
708 HG11 VAL 108 1HG1 VAL 108 4.354 -0.320 6.750
709 HG12 VAL 108 2HG1 VAL 108 4.444 1.377 7.264
710 HG13 VAL 108 3HG1 VAL 108 5.736 0.267 7.663
711 HG21 VAL 108 3HG2 VAL 108 2.076 -0.722 7.979
712 HG22 VAL 108 1HG2 VAL 108 1.879 0.091 9.530
713 HG23 VAL 108 2HG2 VAL 108 2.215 1.036 8.053
714 H GLU 109 H GLU 109 6.340 -2.620 8.590
715 HA GLU 109 HA GLU 109 8.312 -2.086 10.719
716 HB3 GLU 109 2HB GLU 109 9.628 -3.211 8.524
717 HG3 GLU 109 2HG GLU 109 8.889 -5.484 9.603
718 H SER 110 H SER 110 10.466 -1.388 9.730
719 HA SER 110 HA SER 110 10.388 0.605 7.650
720 HB3 SER 110 2HB SER 110 9.397 2.031 9.132
721 HG SER 110 HG SER 110 9.764 2.207 11.254
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.842 -16.558 14.868
2 HA2 GLY 1 1HA GLY 1 -10.379 -14.653 14.252
3 HA3 GLY 1 2HA GLY 1 -10.234 -16.024 13.136
4 H MET 2 H MET 2 -9.535 -13.457 12.241
5 HA MET 2 HA MET 2 -11.776 -12.246 10.812
6 HB3 MET 2 2HB MET 2 -10.125 -10.971 9.597
7 HG3 MET 2 2HG MET 2 -10.467 -10.332 12.065
8 HE1 MET 2 3HE MET 2 -7.179 -9.147 12.730
9 HE2 MET 2 1HE MET 2 -8.476 -9.077 13.939
10 HE3 MET 2 2HE MET 2 -6.958 -9.925 14.311
11 H LEU 3 H LEU 3 -12.180 -12.453 8.512
12 HA LEU 3 HA LEU 3 -10.418 -14.216 6.982
13 HB3 LEU 3 2HB LEU 3 -13.359 -14.493 6.421
14 HG LEU 3 HG LEU 3 -12.828 -16.748 5.808
15 HD11 LEU 3 1HD1 LEU 3 -12.238 -15.116 4.052
16 HD12 LEU 3 2HD1 LEU 3 -11.203 -16.551 4.010
17 HD13 LEU 3 3HD1 LEU 3 -10.573 -15.035 4.673
18 HD21 LEU 3 3HD2 LEU 3 -10.006 -16.281 6.845
19 HD22 LEU 3 1HD2 LEU 3 -10.613 -17.743 6.064
20 HD23 LEU 3 2HD2 LEU 3 -11.282 -17.261 7.629
21 H LEU 4 H LEU 4 -10.126 -11.659 7.125
22 HA LEU 4 HA LEU 4 -11.763 -10.069 5.301
23 HB3 LEU 4 2HB LEU 4 -9.768 -8.482 5.503
24 HG LEU 4 HG LEU 4 -11.492 -9.293 7.846
25 HD11 LEU 4 1HD1 LEU 4 -10.685 -7.470 9.199
26 HD12 LEU 4 2HD1 LEU 4 -9.498 -7.005 7.972
27 HD13 LEU 4 3HD1 LEU 4 -9.333 -8.552 8.838
28 HD21 LEU 4 3HD2 LEU 4 -11.241 -6.771 6.126
29 HD22 LEU 4 1HD2 LEU 4 -12.370 -6.975 7.471
30 HD23 LEU 4 2HD2 LEU 4 -12.528 -7.995 6.032
31 H SER 5 H SER 5 -11.604 -10.175 3.188
32 HA SER 5 HA SER 5 -9.425 -11.688 1.908
33 HB3 SER 5 2HB SER 5 -10.843 -11.719 -0.019
34 HG SER 5 HG SER 5 -12.492 -12.145 2.254
35 H THR 6 H THR 6 -8.517 -10.737 -0.146
36 HA THR 6 HA THR 6 -7.205 -8.444 0.497
37 HB THR 6 HB THR 6 -7.568 -9.329 -2.380
38 HG1 THR 6 1HG THR 6 -6.175 -10.662 -0.329
39 HG21 THR 6 3HG2 THR 6 -5.230 -8.226 -0.782
40 HG22 THR 6 1HG2 THR 6 -6.228 -7.294 -1.924
41 HG23 THR 6 2HG2 THR 6 -5.214 -8.626 -2.513
42 H ASP 7 H ASP 7 -10.032 -8.726 -1.701
43 HA ASP 7 HA ASP 7 -9.889 -5.989 -2.540
44 HB3 ASP 7 2HB ASP 7 -10.974 -7.650 -3.932
45 H ILE 8 H ILE 8 -11.459 -7.602 0.203
46 HA ILE 8 HA ILE 8 -13.172 -5.537 0.998
47 HB ILE 8 HB ILE 8 -11.635 -7.370 2.866
48 HG13 ILE 8 2HG1 ILE 8 -13.646 -8.746 2.850
49 HG21 ILE 8 1HG2 ILE 8 -13.733 -6.916 4.298
50 HG22 ILE 8 2HG2 ILE 8 -12.570 -5.600 4.147
51 HG23 ILE 8 3HG2 ILE 8 -14.045 -5.562 3.175
52 HD11 ILE 8 3HD1 ILE 8 -15.207 -8.777 1.040
53 HD12 ILE 8 1HD1 ILE 8 -15.294 -7.172 1.800
54 HD13 ILE 8 2HD1 ILE 8 -14.437 -7.392 0.253
55 H TRP 9 H TRP 9 -9.710 -6.058 1.921
56 HA TRP 9 HA TRP 9 -9.595 -3.848 3.707
57 HB3 TRP 9 2HB TRP 9 -7.139 -3.875 3.226
58 HD1 TRP 9 HD TRP 9 -8.801 -5.057 5.635
59 HE1 TRP 9 1HE TRP 9 -7.834 -7.162 6.818
60 HE3 TRP 9 3HE TRP 9 -6.097 -7.040 1.802
61 HZ2 TRP 9 2HZ TRP 9 -6.764 -9.700 5.930
62 HZ3 TRP 9 3HZ TRP 9 -5.083 -9.325 1.989
63 HH2 TRP 9 HH TRP 9 -5.443 -10.662 4.060
64 H VAL 10 H VAL 10 -8.611 -4.080 0.244
65 HA VAL 10 HA VAL 10 -7.933 -1.310 0.039
66 HB VAL 10 HB VAL 10 -8.887 -3.251 -2.115
67 HG11 VAL 10 1HG1 VAL 10 -7.347 -0.625 -2.247
68 HG12 VAL 10 2HG1 VAL 10 -7.455 -1.784 -3.592
69 HG13 VAL 10 3HG1 VAL 10 -8.913 -1.008 -2.989
70 HG21 VAL 10 3HG2 VAL 10 -6.345 -3.527 -2.464
71 HG22 VAL 10 1HG2 VAL 10 -6.159 -2.811 -0.844
72 HG23 VAL 10 2HG2 VAL 10 -7.034 -4.323 -1.073
73 H ALA 11 H ALA 11 -11.116 -3.012 -0.401
74 HA ALA 11 HA ALA 11 -12.420 -0.762 -1.471
75 HB1 ALA 11 1HB ALA 11 -14.509 -1.930 -0.714
76 HB2 ALA 11 2HB ALA 11 -13.402 -3.066 -1.498
77 HB3 ALA 11 3HB ALA 11 -13.551 -3.045 0.275
78 H ALA 12 H ALA 12 -12.048 -1.853 1.909
79 HA ALA 12 HA ALA 12 -13.581 0.304 3.024
80 HB1 ALA 12 1HB ALA 12 -13.206 -1.827 4.224
81 HB2 ALA 12 2HB ALA 12 -11.468 -1.499 4.313
82 HB3 ALA 12 3HB ALA 12 -12.621 -0.453 5.180
83 H LEU 13 H LEU 13 -10.053 -0.220 2.592
84 HA LEU 13 HA LEU 13 -9.085 2.109 3.724
85 HB3 LEU 13 2HB LEU 13 -8.080 0.310 1.589
86 HG LEU 13 HG LEU 13 -6.678 1.850 0.900
87 HD11 LEU 13 1HD1 LEU 13 -7.307 3.940 1.470
88 HD12 LEU 13 2HD1 LEU 13 -5.828 3.899 2.349
89 HD13 LEU 13 3HD1 LEU 13 -7.349 3.599 3.240
90 HD21 LEU 13 3HD2 LEU 13 -5.351 0.468 2.738
91 HD22 LEU 13 1HD2 LEU 13 -5.667 1.946 3.772
92 HD23 LEU 13 2HD2 LEU 13 -4.665 2.087 2.341
93 H ILE 14 H ILE 14 -9.836 1.553 0.196
94 HA ILE 14 HA ILE 14 -8.916 4.103 -0.520
95 HB ILE 14 HB ILE 14 -10.882 2.164 -1.757
96 HG13 ILE 14 2HG1 ILE 14 -9.167 1.714 -3.338
97 HG21 ILE 14 1HG2 ILE 14 -10.780 3.510 -3.909
98 HG22 ILE 14 2HG2 ILE 14 -11.738 4.250 -2.610
99 HG23 ILE 14 3HG2 ILE 14 -10.128 4.867 -2.970
100 HD11 ILE 14 3HD1 ILE 14 -8.104 4.068 -3.438
101 HD12 ILE 14 1HD1 ILE 14 -7.312 3.690 -1.901
102 HD13 ILE 14 2HD1 ILE 14 -6.968 2.709 -3.332
103 H ARG 15 H ARG 15 -11.861 3.112 0.736
104 HA ARG 15 HA ARG 15 -13.270 5.649 0.360
105 HB3 ARG 15 2HB ARG 15 -14.886 4.789 2.156
106 HG3 ARG 15 2HG ARG 15 -15.192 2.514 0.547
107 HD3 ARG 15 2HD ARG 15 -17.022 4.050 0.999
108 HE ARG 15 HE ARG 15 -15.513 6.171 0.305
109 HH11 ARG 15 1HH1 ARG 15 -18.377 4.925 -1.431
110 HH12 ARG 15 2HH1 ARG 15 -18.898 6.498 -1.884
111 HH21 ARG 15 1HH2 ARG 15 -16.213 8.143 -0.242
112 HH22 ARG 15 2HH2 ARG 15 -17.543 8.427 -1.311
113 H ARG 16 H ARG 16 -11.722 4.097 3.168
114 HA ARG 16 HA ARG 16 -11.836 6.218 5.050
115 HB3 ARG 16 2HB ARG 16 -9.832 5.025 6.052
116 HG3 ARG 16 2HG ARG 16 -12.411 3.578 5.387
117 HD3 ARG 16 2HD ARG 16 -10.225 1.983 5.626
118 HE ARG 16 HE ARG 16 -11.184 1.623 8.313
119 HH11 ARG 16 1HH1 ARG 16 -8.634 3.415 6.591
120 HH12 ARG 16 2HH1 ARG 16 -7.523 3.301 7.924
121 HH21 ARG 16 1HH2 ARG 16 -9.624 1.441 10.006
122 HH22 ARG 16 2HH2 ARG 16 -8.120 2.324 9.849
123 H ALA 17 H ALA 17 -8.844 5.446 2.926
124 HA ALA 17 HA ALA 17 -7.500 7.783 3.433
125 HB1 ALA 17 1HB ALA 17 -7.916 6.321 0.789
126 HB2 ALA 17 2HB ALA 17 -6.734 7.611 1.048
127 HB3 ALA 17 3HB ALA 17 -6.565 6.117 1.967
128 H GLU 18 H GLU 18 -9.942 7.444 0.765
129 HA GLU 18 HA GLU 18 -9.565 10.117 0.005
130 HB3 GLU 18 2HB GLU 18 -11.865 9.787 -1.110
131 HG3 GLU 18 2HG GLU 18 -9.794 7.668 -1.799
132 H LEU 19 H LEU 19 -11.576 8.743 2.513
133 HA LEU 19 HA LEU 19 -13.296 10.968 3.048
134 HB3 LEU 19 2HB LEU 19 -12.602 9.504 5.495
135 HG LEU 19 HG LEU 19 -14.885 9.548 3.546
136 HD11 LEU 19 1HD1 LEU 19 -14.805 7.273 4.465
137 HD12 LEU 19 2HD1 LEU 19 -16.192 8.142 5.123
138 HD13 LEU 19 3HD1 LEU 19 -14.737 7.915 6.125
139 HD21 LEU 19 3HD2 LEU 19 -14.618 10.468 6.442
140 HD22 LEU 19 1HD2 LEU 19 -16.111 10.590 5.472
141 HD23 LEU 19 2HD2 LEU 19 -14.678 11.519 4.996
142 H GLY 20 H GLY 20 -10.043 10.320 3.788
143 HA2 GLY 20 1HA GLY 20 -9.511 12.259 5.887
144 HA3 GLY 20 2HA GLY 20 -8.352 11.618 4.718
145 H GLY 21 H GLY 21 -9.744 12.391 2.351
146 HA2 GLY 21 1HA GLY 21 -10.143 14.526 1.157
147 HA3 GLY 21 2HA GLY 21 -9.110 15.316 2.353
148 H ALA 22 H ALA 22 -7.790 12.221 1.796
149 HA ALA 22 HA ALA 22 -5.613 13.151 0.187
150 HB1 ALA 22 1HB ALA 22 -5.644 11.113 1.742
151 HB2 ALA 22 2HB ALA 22 -6.605 10.285 0.508
152 HB3 ALA 22 3HB ALA 22 -4.958 10.830 0.130
153 H PHE 23 H PHE 23 -5.107 12.266 -1.930
154 HA PHE 23 HA PHE 23 -7.402 11.480 -3.660
155 HB3 PHE 23 2HB PHE 23 -4.482 11.878 -4.444
156 HD1 PHE 23 1HD PHE 23 -4.761 9.915 -5.995
157 HD2 PHE 23 2HD PHE 23 -7.338 13.366 -6.199
158 HE1 PHE 23 1HE PHE 23 -5.367 9.324 -8.323
159 HE2 PHE 23 2HE PHE 23 -7.977 12.747 -8.506
160 HZ PHE 23 HZ PHE 23 -6.956 10.775 -9.604
161 H ALA 24 H ALA 24 -7.677 9.213 -3.741
162 HA ALA 24 HA ALA 24 -5.280 7.583 -3.500
163 HB1 ALA 24 1HB ALA 24 -7.670 7.132 -1.662
164 HB2 ALA 24 2HB ALA 24 -6.314 6.015 -1.887
165 HB3 ALA 24 3HB ALA 24 -6.026 7.612 -1.172
166 H THR 25 H THR 25 -5.638 5.433 -4.329
167 HA THR 25 HA THR 25 -8.110 4.728 -5.536
168 HB THR 25 HB THR 25 -7.522 6.606 -7.065
169 HG1 THR 25 1HG THR 25 -8.656 5.624 -8.406
170 HG21 THR 25 3HG2 THR 25 -5.435 4.672 -8.126
171 HG22 THR 25 1HG2 THR 25 -5.096 6.177 -7.240
172 HG23 THR 25 2HG2 THR 25 -5.898 6.245 -8.819
173 H VAL 26 H VAL 26 -7.873 2.830 -7.067
174 HA VAL 26 HA VAL 26 -5.725 1.067 -6.068
175 HB VAL 26 HB VAL 26 -7.801 0.449 -5.174
176 HG11 VAL 26 1HG1 VAL 26 -9.469 1.294 -6.761
177 HG12 VAL 26 2HG1 VAL 26 -8.992 0.050 -7.940
178 HG13 VAL 26 3HG1 VAL 26 -9.696 -0.427 -6.386
179 HG21 VAL 26 3HG2 VAL 26 -7.012 -1.425 -7.415
180 HG22 VAL 26 1HG2 VAL 26 -6.175 -1.293 -5.847
181 HG23 VAL 26 2HG2 VAL 26 -7.856 -1.878 -5.936
182 H ALA 27 H ALA 27 -4.192 1.412 -7.549
183 HA ALA 27 HA ALA 27 -4.813 1.754 -10.373
184 HB1 ALA 27 1HB ALA 27 -2.146 1.527 -8.926
185 HB2 ALA 27 2HB ALA 27 -2.385 2.025 -10.607
186 HB3 ALA 27 3HB ALA 27 -3.013 3.038 -9.294
187 H ARG 28 H ARG 28 -4.738 -1.122 -8.572
188 HA ARG 28 HA ARG 28 -4.154 -2.629 -11.009
189 HB3 ARG 28 2HB ARG 28 -2.756 -3.639 -8.567
190 HG3 ARG 28 2HG ARG 28 -2.724 -4.545 -11.173
191 HD3 ARG 28 2HD ARG 28 -0.353 -3.992 -11.889
192 HE ARG 28 HE ARG 28 -2.627 -2.541 -12.517
193 HH11 ARG 28 1HH1 ARG 28 0.800 -1.729 -12.351
194 HH12 ARG 28 2HH1 ARG 28 0.760 -0.701 -13.734
195 HH21 ARG 28 1HH2 ARG 28 -2.773 -1.068 -14.120
196 HH22 ARG 28 2HH2 ARG 28 -1.479 0.062 -14.418
197 H LYS 29 H LYS 29 -5.030 -4.845 -10.913
198 HA LYS 29 HA LYS 29 -6.824 -5.366 -8.583
199 HB3 LYS 29 2HB LYS 29 -7.357 -5.746 -11.567
200 HG3 LYS 29 2HG LYS 29 -9.015 -6.621 -9.166
201 HD3 LYS 29 2HD LYS 29 -10.601 -7.409 -11.035
202 HE3 LYS 29 2HE LYS 29 -11.498 -4.989 -11.411
203 HZ1 LYS 29 3HZ LYS 29 -11.019 -5.989 -8.671
204 HZ2 LYS 29 1HZ LYS 29 -12.390 -6.158 -9.572
205 HZ3 LYS 29 2HZ LYS 29 -11.930 -4.676 -9.024
206 H GLY 30 H GLY 30 -5.527 -6.787 -7.546
207 HA2 GLY 30 1HA GLY 30 -4.549 -9.212 -8.882
208 HA3 GLY 30 2HA GLY 30 -4.397 -8.739 -7.179
209 H ASP 31 H ASP 31 -5.106 -11.105 -7.150
210 HA ASP 31 HA ASP 31 -7.557 -11.815 -8.209
211 HB3 ASP 31 2HB ASP 31 -6.486 -13.778 -6.285
212 H ALA 32 H ALA 32 -8.032 -9.931 -6.178
213 HA ALA 32 HA ALA 32 -9.218 -9.309 -4.335
214 HB1 ALA 32 1HB ALA 32 -11.116 -11.309 -5.573
215 HB2 ALA 32 2HB ALA 32 -11.564 -9.979 -4.490
216 HB3 ALA 32 3HB ALA 32 -10.878 -9.631 -6.096
217 H ARG 33 H ARG 33 -8.298 -12.480 -4.210
218 HA ARG 33 HA ARG 33 -8.911 -12.773 -1.286
219 HB3 ARG 33 2HB ARG 33 -9.205 -15.307 -2.334
220 HG3 ARG 33 2HG ARG 33 -11.082 -13.147 -1.583
221 HD3 ARG 33 2HD ARG 33 -12.149 -13.738 -3.670
222 HE ARG 33 HE ARG 33 -11.458 -16.449 -2.970
223 HH11 ARG 33 1HH1 ARG 33 -14.071 -14.571 -4.523
224 HH12 ARG 33 2HH1 ARG 33 -14.636 -15.939 -5.438
225 HH21 ARG 33 1HH2 ARG 33 -12.046 -18.076 -4.567
226 HH22 ARG 33 2HH2 ARG 33 -13.526 -17.834 -5.463
227 H ALA 34 H ALA 34 -6.837 -13.680 -4.073
228 HA ALA 34 HA ALA 34 -4.696 -14.102 -2.121
229 HB1 ALA 34 1HB ALA 34 -3.948 -16.157 -3.219
230 HB2 ALA 34 2HB ALA 34 -5.634 -16.375 -2.708
231 HB3 ALA 34 3HB ALA 34 -5.251 -16.038 -4.418
232 H GLY 35 H GLY 35 -5.083 -11.804 -3.351
233 HA2 GLY 35 1HA GLY 35 -2.915 -11.734 -5.404
234 HA3 GLY 35 2HA GLY 35 -4.115 -10.459 -5.219
235 H ALA 36 H ALA 36 -1.119 -10.620 -4.835
236 HA ALA 36 HA ALA 36 -0.659 -10.041 -1.998
237 HB1 ALA 36 1HB ALA 36 1.097 -9.494 -4.431
238 HB2 ALA 36 2HB ALA 36 1.603 -9.442 -2.726
239 HB3 ALA 36 3HB ALA 36 1.131 -10.985 -3.457
240 H VAL 37 H VAL 37 0.424 -7.758 -1.524
241 HA VAL 37 HA VAL 37 -1.162 -5.640 -2.880
242 HB VAL 37 HB VAL 37 -1.102 -6.018 0.133
243 HG11 VAL 37 1HG1 VAL 37 -2.827 -4.303 -1.724
244 HG12 VAL 37 2HG1 VAL 37 -3.068 -4.455 0.025
245 HG13 VAL 37 3HG1 VAL 37 -1.585 -3.720 -0.599
246 HG21 VAL 37 3HG2 VAL 37 -3.305 -6.897 -1.766
247 HG22 VAL 37 1HG2 VAL 37 -2.358 -7.933 -0.678
248 HG23 VAL 37 2HG2 VAL 37 -3.471 -6.754 0.001
249 H LEU 38 H LEU 38 -0.143 -3.756 -3.064
250 HA LEU 38 HA LEU 38 2.164 -3.113 -1.296
251 HB3 LEU 38 2HB LEU 38 2.791 -1.440 -2.962
252 HG LEU 38 HG LEU 38 2.492 -3.941 -4.645
253 HD11 LEU 38 1HD1 LEU 38 3.464 -1.925 -5.621
254 HD12 LEU 38 2HD1 LEU 38 4.692 -3.191 -5.479
255 HD13 LEU 38 3HD1 LEU 38 4.691 -1.844 -4.326
256 HD21 LEU 38 3HD2 LEU 38 4.655 -4.752 -3.681
257 HD22 LEU 38 1HD2 LEU 38 3.293 -4.868 -2.569
258 HD23 LEU 38 2HD2 LEU 38 4.470 -3.544 -2.376
259 H VAL 39 H VAL 39 2.027 -1.103 -0.293
260 HA VAL 39 HA VAL 39 -0.421 0.531 -0.732
261 HB VAL 39 HB VAL 39 0.932 0.130 1.970
262 HG11 VAL 39 1HG1 VAL 39 0.106 2.415 1.702
263 HG12 VAL 39 2HG1 VAL 39 -1.446 1.831 1.073
264 HG13 VAL 39 3HG1 VAL 39 -1.008 1.574 2.762
265 HG21 VAL 39 3HG2 VAL 39 -0.844 -1.121 2.744
266 HG22 VAL 39 1HG2 VAL 39 -1.940 -0.606 1.437
267 HG23 VAL 39 2HG2 VAL 39 -0.653 -1.789 1.137
268 H LYS 40 H LYS 40 0.172 2.648 -1.113
269 HA LYS 40 HA LYS 40 3.061 3.349 -0.763
270 HB3 LYS 40 2HB LYS 40 1.063 3.659 -3.030
271 HG3 LYS 40 2HG LYS 40 3.771 5.055 -2.869
272 HD3 LYS 40 2HD LYS 40 1.499 4.950 -4.924
273 HE3 LYS 40 2HE LYS 40 3.832 6.876 -4.709
274 HZ1 LYS 40 3HZ LYS 40 2.546 8.096 -6.356
275 HZ2 LYS 40 1HZ LYS 40 1.473 6.840 -6.519
276 HZ3 LYS 40 2HZ LYS 40 3.076 6.694 -6.908
277 H ALA 41 H ALA 41 3.242 5.317 0.516
278 HA ALA 41 HA ALA 41 0.730 6.776 1.168
279 HB1 ALA 41 1HB ALA 41 2.704 5.518 3.110
280 HB2 ALA 41 2HB ALA 41 1.408 6.651 3.572
281 HB3 ALA 41 3HB ALA 41 0.979 5.068 2.932
282 H VAL 42 H VAL 42 1.420 8.619 0.049
283 HA VAL 42 HA VAL 42 4.204 9.509 0.321
284 HB VAL 42 HB VAL 42 2.541 9.689 -1.710
285 HG11 VAL 42 1HG1 VAL 42 1.430 11.725 -2.069
286 HG12 VAL 42 2HG1 VAL 42 0.950 11.147 -0.441
287 HG13 VAL 42 3HG1 VAL 42 2.117 12.455 -0.609
288 HG21 VAL 42 3HG2 VAL 42 3.866 11.447 -2.726
289 HG22 VAL 42 1HG2 VAL 42 4.577 11.872 -1.142
290 HG23 VAL 42 2HG2 VAL 42 4.858 10.270 -1.880
291 H ASP 43 H ASP 43 4.696 11.848 1.051
292 HA ASP 43 HA ASP 43 2.711 12.925 3.001
293 HB3 ASP 43 2HB ASP 43 5.735 12.870 3.340
294 H ARG 44 H ARG 44 2.046 14.408 1.245
295 HA ARG 44 HA ARG 44 4.017 16.081 -0.052
296 HB3 ARG 44 2HB ARG 44 2.194 17.661 -0.595
297 HG3 ARG 44 2HG ARG 44 0.605 16.070 -1.750
298 HD3 ARG 44 2HD ARG 44 2.446 14.907 -3.104
299 HE ARG 44 HE ARG 44 1.982 17.788 -2.974
300 HH11 ARG 44 1HH1 ARG 44 3.648 15.200 -4.872
301 HH12 ARG 44 2HH1 ARG 44 3.545 16.156 -6.323
302 HH21 ARG 44 1HH2 ARG 44 2.047 18.929 -4.836
303 HH22 ARG 44 2HH2 ARG 44 2.644 18.239 -6.333
304 H ARG 45 H ARG 45 2.483 16.340 3.177
305 HA ARG 45 HA ARG 45 2.703 19.133 3.491
306 HB3 ARG 45 2HB ARG 45 2.849 17.106 5.772
307 HG3 ARG 45 2HG ARG 45 1.316 19.659 5.304
308 HD3 ARG 45 2HD ARG 45 1.723 18.313 8.002
309 HE ARG 45 HE ARG 45 0.635 20.704 7.429
310 HH11 ARG 45 1HH1 ARG 45 -0.750 17.768 8.914
311 HH12 ARG 45 2HH1 ARG 45 -2.268 18.519 9.260
312 HH21 ARG 45 1HH2 ARG 45 -1.364 21.755 8.225
313 HH22 ARG 45 2HH2 ARG 45 -2.628 20.711 8.773
314 H GLU 46 H GLU 46 4.890 16.457 4.510
315 HA GLU 46 HA GLU 46 7.029 18.374 5.146
316 HB3 GLU 46 2HB GLU 46 8.428 16.351 5.321
317 HG3 GLU 46 2HG GLU 46 5.766 16.023 6.748
318 H GLY 47 H GLY 47 6.379 15.913 2.624
319 HA2 GLY 47 1HA GLY 47 6.774 16.573 0.269
320 HA3 GLY 47 2HA GLY 47 8.309 17.281 0.838
321 H THR 48 H THR 48 7.358 14.362 2.501
322 HA THR 48 HA THR 48 9.562 12.925 1.181
323 HB THR 48 HB THR 48 9.316 11.408 3.209
324 HG1 THR 48 1HG THR 48 8.422 12.710 5.037
325 HG21 THR 48 3HG2 THR 48 9.871 14.309 3.950
326 HG22 THR 48 1HG2 THR 48 11.006 13.343 2.992
327 HG23 THR 48 2HG2 THR 48 10.607 12.852 4.644
328 H ALA 49 H ALA 49 9.046 10.415 1.158
329 HA ALA 49 HA ALA 49 6.284 9.756 0.504
330 HB1 ALA 49 1HB ALA 49 8.622 9.674 -1.417
331 HB2 ALA 49 2HB ALA 49 7.316 8.504 -1.586
332 HB3 ALA 49 3HB ALA 49 7.020 10.274 -1.762
333 H ARG 50 H ARG 50 5.969 7.512 1.018
334 HA ARG 50 HA ARG 50 8.290 5.802 1.433
335 HB3 ARG 50 2HB ARG 50 6.882 4.999 3.541
336 HG3 ARG 50 2HG ARG 50 8.659 7.499 3.642
337 HD3 ARG 50 2HD ARG 50 9.040 6.102 5.954
338 HE ARG 50 HE ARG 50 7.459 8.483 5.294
339 HH11 ARG 50 1HH1 ARG 50 8.895 6.573 7.935
340 HH12 ARG 50 2HH1 ARG 50 8.668 7.804 9.132
341 HH21 ARG 50 1HH2 ARG 50 6.970 10.007 6.930
342 HH22 ARG 50 2HH2 ARG 50 7.484 9.778 8.551
343 H LEU 51 H LEU 51 7.689 3.626 1.218
344 HA LEU 51 HA LEU 51 5.036 3.055 0.052
345 HB3 LEU 51 2HB LEU 51 7.496 2.199 -1.509
346 HG LEU 51 HG LEU 51 4.651 3.052 -2.208
347 HD11 LEU 51 1HD1 LEU 51 6.299 3.888 -3.877
348 HD12 LEU 51 2HD1 LEU 51 5.080 2.804 -4.513
349 HD13 LEU 51 3HD1 LEU 51 6.716 2.186 -4.207
350 HD21 LEU 51 3HD2 LEU 51 6.012 0.444 -1.923
351 HD22 LEU 51 1HD2 LEU 51 5.197 0.592 -3.473
352 HD23 LEU 51 2HD2 LEU 51 4.258 0.816 -1.989
353 H PHE 52 H PHE 52 4.431 0.984 0.289
354 HA PHE 52 HA PHE 52 6.221 -0.795 1.932
355 HB3 PHE 52 2HB PHE 52 4.259 -1.389 3.256
356 HD1 PHE 52 2HD PHE 52 6.316 -0.145 4.416
357 HD2 PHE 52 1HD PHE 52 2.689 1.771 3.100
358 HE1 PHE 52 2HE PHE 52 6.712 1.719 6.017
359 HE2 PHE 52 1HE PHE 52 3.060 3.600 4.731
360 HZ PHE 52 HZ PHE 52 5.095 3.603 6.158
361 H SER 53 H SER 53 5.560 -3.081 2.034
362 HA SER 53 HA SER 53 3.783 -4.059 -0.100
363 HB3 SER 53 2HB SER 53 6.391 -5.465 0.595
364 HG SER 53 HG SER 53 4.986 -5.543 -1.841
365 H GLU 54 H GLU 54 2.958 -6.229 0.522
366 HA GLU 54 HA GLU 54 2.778 -6.629 3.412
367 HB3 GLU 54 2HB GLU 54 0.870 -7.123 1.884
368 HG3 GLU 54 2HG GLU 54 2.808 -8.955 0.587
369 H ALA 55 H ALA 55 3.452 -8.641 4.406
370 HA ALA 55 HA ALA 55 4.988 -10.582 3.005
371 HB1 ALA 55 1HB ALA 55 6.872 -10.560 4.716
372 HB2 ALA 55 2HB ALA 55 6.882 -9.199 3.585
373 HB3 ALA 55 3HB ALA 55 6.276 -8.967 5.239
374 H THR 56 H THR 56 5.426 -12.419 4.834
375 HA THR 56 HA THR 56 3.448 -12.296 6.988
376 HB THR 56 HB THR 56 2.947 -14.821 6.242
377 HG1 THR 56 1HG THR 56 3.598 -13.475 3.835
378 HG21 THR 56 3HG2 THR 56 1.225 -13.252 6.717
379 HG22 THR 56 1HG2 THR 56 0.857 -14.060 5.211
380 HG23 THR 56 2HG2 THR 56 1.473 -12.386 5.175
381 H ARG 57 H ARG 57 3.971 -13.526 8.721
382 HA ARG 57 HA ARG 57 6.772 -14.348 8.867
383 HB3 ARG 57 2HB ARG 57 6.356 -14.583 11.261
384 HG3 ARG 57 2HG ARG 57 4.786 -12.103 10.722
385 HD3 ARG 57 2HD ARG 57 6.902 -12.937 12.509
386 HE ARG 57 HE ARG 57 8.527 -11.826 11.121
387 HH11 ARG 57 1HH1 ARG 57 5.898 -9.575 12.042
388 HH12 ARG 57 2HH1 ARG 57 6.841 -8.187 11.610
389 HH21 ARG 57 1HH2 ARG 57 9.699 -9.975 10.651
390 HH22 ARG 57 2HH2 ARG 57 9.137 -8.406 11.170
391 H GLY 58 H GLY 58 7.221 -16.360 10.366
392 HA2 GLY 58 1HA GLY 58 6.441 -18.833 9.240
393 HA3 GLY 58 2HA GLY 58 7.103 -18.567 10.854
394 H ASP 59 H ASP 59 4.550 -16.688 11.191
395 HA ASP 59 HA ASP 59 2.688 -18.844 11.986
396 HB3 ASP 59 2HB ASP 59 1.733 -16.461 13.068
397 H GLY 60 H GLY 60 3.116 -17.095 9.269
398 HA2 GLY 60 1HA GLY 60 1.802 -16.363 7.556
399 HA3 GLY 60 2HA GLY 60 0.397 -17.124 8.293
400 H GLU 61 H GLU 61 2.172 -14.942 10.351
401 HA GLU 61 HA GLU 61 -0.109 -13.191 10.611
402 HB3 GLU 61 2HB GLU 61 2.692 -13.150 11.822
403 HG3 GLU 61 2HG GLU 61 0.211 -11.612 12.377
404 H ARG 62 H ARG 62 -0.405 -11.475 9.243
405 HA ARG 62 HA ARG 62 1.681 -10.919 7.264
406 HB3 ARG 62 2HB ARG 62 -1.150 -9.885 7.553
407 HG3 ARG 62 2HG ARG 62 0.789 -9.621 5.233
408 HD3 ARG 62 2HD ARG 62 -1.413 -8.457 4.295
409 HE ARG 62 HE ARG 62 -0.135 -10.296 3.187
410 HH11 ARG 62 1HH1 ARG 62 -3.224 -11.312 4.644
411 HH12 ARG 62 2HH1 ARG 62 -3.678 -12.281 3.285
412 HH21 ARG 62 1HH2 ARG 62 -0.773 -11.489 1.381
413 HH22 ARG 62 2HH2 ARG 62 -2.087 -12.619 1.549
414 H PHE 63 H PHE 63 2.485 -8.745 6.771
415 HA PHE 63 HA PHE 63 1.965 -6.594 8.630
416 HB3 PHE 63 2HB PHE 63 3.606 -7.836 9.952
417 HD1 PHE 63 2HD PHE 63 4.230 -10.047 8.752
418 HD2 PHE 63 1HD PHE 63 6.336 -6.327 8.039
419 HE1 PHE 63 2HE PHE 63 6.224 -11.281 7.910
420 HE2 PHE 63 1HE PHE 63 8.356 -7.601 7.410
421 HZ PHE 63 HZ PHE 63 8.295 -10.089 7.346
422 H TRP 64 H TRP 64 2.859 -4.604 7.866
423 HA TRP 64 HA TRP 64 3.490 -4.558 4.999
424 HB3 TRP 64 2HB TRP 64 3.397 -2.100 5.309
425 HD1 TRP 64 HD TRP 64 0.621 -2.444 7.736
426 HE1 TRP 64 1HE TRP 64 -1.585 -3.044 6.573
427 HE3 TRP 64 3HE TRP 64 2.387 -3.394 3.031
428 HZ2 TRP 64 2HZ TRP 64 -2.423 -4.043 4.056
429 HZ3 TRP 64 3HZ TRP 64 0.877 -4.316 1.300
430 HH2 TRP 64 HH TRP 64 -1.557 -4.665 1.829
431 H MET 65 H MET 65 5.489 -4.839 4.471
432 HA MET 65 HA MET 65 7.728 -3.945 6.233
433 HB3 MET 65 2HB MET 65 7.566 -6.345 5.653
434 HG3 MET 65 2HG MET 65 7.372 -5.363 2.906
435 HE1 MET 65 3HE MET 65 9.974 -7.471 4.993
436 HE2 MET 65 1HE MET 65 9.069 -8.670 4.063
437 HE3 MET 65 2HE MET 65 10.786 -8.381 3.700
438 H GLN 66 H GLN 66 9.787 -3.440 4.944
439 HA GLN 66 HA GLN 66 9.195 -1.628 2.665
440 HB3 GLN 66 2HB GLN 66 11.086 -0.258 3.412
441 HG3 GLN 66 2HG GLN 66 9.136 -0.492 5.726
442 HE21 GLN 66 1HE2 GLN 66 9.008 1.507 6.936
443 HE22 GLN 66 2HE2 GLN 66 9.820 2.959 6.331
444 HA PRO 67 HA PRO 67 12.093 -4.868 1.180
445 HB3 PRO 67 2HB PRO 67 10.390 -5.956 0.074
446 HG3 PRO 67 2HG PRO 67 8.482 -4.809 -0.700
447 HD3 PRO 67 2HD PRO 67 8.627 -4.205 1.544
448 H VAL 68 H VAL 68 11.010 -1.821 -0.224
449 HA VAL 68 HA VAL 68 13.568 -1.326 -1.597
450 HB VAL 68 HB VAL 68 11.676 -0.753 -2.933
451 HG11 VAL 68 1HG1 VAL 68 9.894 0.847 -2.247
452 HG12 VAL 68 2HG1 VAL 68 9.828 -0.672 -1.364
453 HG13 VAL 68 3HG1 VAL 68 10.495 0.787 -0.585
454 HG21 VAL 68 3HG2 VAL 68 11.942 1.579 -3.372
455 HG22 VAL 68 1HG2 VAL 68 12.555 1.911 -1.746
456 HG23 VAL 68 2HG2 VAL 68 13.513 0.950 -2.906
457 H ARG 69 H ARG 69 15.001 0.097 -0.855
458 HA ARG 69 HA ARG 69 14.606 1.264 1.863
459 HB3 ARG 69 2HB ARG 69 15.857 -0.711 2.299
460 HG3 ARG 69 2HG ARG 69 18.182 -0.822 0.918
461 HD3 ARG 69 2HD ARG 69 16.569 -2.204 -0.877
462 HE ARG 69 HE ARG 69 18.396 -2.846 0.970
463 HH11 ARG 69 1HH1 ARG 69 15.169 -4.252 0.454
464 HH12 ARG 69 2HH1 ARG 69 15.688 -5.866 0.892
465 HH21 ARG 69 1HH2 ARG 69 18.969 -4.815 1.777
466 HH22 ARG 69 2HH2 ARG 69 17.817 -6.114 1.953
467 H SER 70 H SER 70 14.014 2.882 0.105
468 HA SER 70 HA SER 70 16.352 4.604 -0.454
469 HB3 SER 70 2HB SER 70 15.118 4.914 -2.744
470 HG SER 70 HG SER 70 17.151 4.318 -2.657
471 H THR 71 H THR 71 15.837 6.716 -0.231
472 HA THR 71 HA THR 71 13.046 7.412 0.414
473 HB THR 71 HB THR 71 14.434 7.285 2.313
474 HG1 THR 71 1HG THR 71 12.686 8.635 2.299
475 HG21 THR 71 3HG2 THR 71 16.496 7.938 1.278
476 HG22 THR 71 1HG2 THR 71 16.121 9.006 2.657
477 HG23 THR 71 2HG2 THR 71 15.836 9.560 0.972
478 H PHE 72 H PHE 72 14.052 7.278 -2.281
479 HA PHE 72 HA PHE 72 13.762 10.112 -3.082
480 HB3 PHE 72 2HB PHE 72 14.963 8.430 -5.148
481 HD1 PHE 72 2HD PHE 72 14.241 11.545 -4.611
482 HD2 PHE 72 1HD PHE 72 17.881 9.201 -4.652
483 HE1 PHE 72 2HE PHE 72 15.564 13.563 -5.073
484 HE2 PHE 72 1HE PHE 72 19.167 11.223 -5.230
485 HZ PHE 72 HZ PHE 72 18.011 13.422 -5.419
486 H GLU 73 H GLU 73 11.939 10.416 -4.269
487 HA GLU 73 HA GLU 73 9.985 8.616 -4.771
488 HB3 GLU 73 2HB GLU 73 9.900 10.335 -6.997
489 HG3 GLU 73 2HG GLU 73 8.840 11.710 -4.701
490 HA PRO 74 HA PRO 74 11.398 7.417 -9.143
491 HB3 PRO 74 2HB PRO 74 12.837 8.831 -10.190
492 HG3 PRO 74 2HG PRO 74 14.481 10.047 -8.944
493 HD3 PRO 74 2HD PRO 74 12.349 10.424 -7.918
494 H ASP 75 H ASP 75 12.726 6.510 -6.180
495 HA ASP 75 HA ASP 75 13.749 3.892 -7.197
496 HB3 ASP 75 2HB ASP 75 14.908 3.756 -5.064
497 H LEU 76 H LEU 76 11.844 5.515 -4.663
498 HA LEU 76 HA LEU 76 10.483 3.159 -3.604
499 HB3 LEU 76 2HB LEU 76 10.889 5.092 -2.380
500 HG LEU 76 HG LEU 76 9.972 6.771 -4.085
501 HD11 LEU 76 1HD1 LEU 76 7.636 7.302 -3.758
502 HD12 LEU 76 2HD1 LEU 76 7.542 6.254 -2.308
503 HD13 LEU 76 3HD1 LEU 76 7.732 5.527 -3.869
504 HD21 LEU 76 3HD2 LEU 76 10.940 7.146 -1.679
505 HD22 LEU 76 1HD2 LEU 76 9.228 7.215 -1.157
506 HD23 LEU 76 2HD2 LEU 76 9.902 8.370 -2.359
507 H ASP 77 H ASP 77 9.495 5.753 -5.824
508 HA ASP 77 HA ASP 77 6.983 4.533 -6.016
509 HB3 ASP 77 2HB ASP 77 8.193 6.517 -8.041
510 H ALA 78 H ALA 78 9.854 4.318 -8.012
511 HA ALA 78 HA ALA 78 8.893 2.740 -10.183
512 HB1 ALA 78 1HB ALA 78 11.607 2.702 -8.799
513 HB2 ALA 78 2HB ALA 78 11.227 1.973 -10.372
514 HB3 ALA 78 3HB ALA 78 11.126 3.735 -10.175
515 H TYR 79 H TYR 79 9.448 1.804 -6.766
516 HA TYR 79 HA TYR 79 9.744 -1.001 -7.164
517 HB3 TYR 79 2HB TYR 79 8.215 0.450 -4.981
518 HD1 TYR 79 2HD TYR 79 9.693 -2.855 -6.035
519 HD2 TYR 79 1HD TYR 79 7.332 -0.610 -3.244
520 HE1 TYR 79 2HE TYR 79 8.939 -4.960 -5.030
521 HE2 TYR 79 1HE TYR 79 6.529 -2.719 -2.213
522 HH TYR 79 HH TYR 79 7.415 -5.946 -3.533
523 H ALA 80 H ALA 80 6.899 1.120 -6.840
524 HA ALA 80 HA ALA 80 5.018 -0.968 -6.735
525 HB1 ALA 80 1HB ALA 80 4.834 2.011 -7.308
526 HB2 ALA 80 2HB ALA 80 3.397 0.957 -7.322
527 HB3 ALA 80 3HB ALA 80 4.374 1.133 -5.861
528 H GLU 81 H GLU 81 6.443 0.790 -9.495
529 HA GLU 81 HA GLU 81 4.639 -0.378 -11.432
530 HB3 GLU 81 2HB GLU 81 6.071 0.546 -13.103
531 HG3 GLU 81 2HG GLU 81 6.362 2.601 -10.898
532 H ARG 82 H ARG 82 7.898 -1.034 -10.150
533 HA ARG 82 HA ARG 82 8.637 -3.021 -11.931
534 HB3 ARG 82 2HB ARG 82 9.375 -2.645 -8.992
535 HG3 ARG 82 2HG ARG 82 11.401 -3.746 -10.879
536 HD3 ARG 82 2HD ARG 82 10.468 -4.251 -8.026
537 HE ARG 82 HE ARG 82 11.091 -6.366 -8.296
538 HH11 ARG 82 1HH1 ARG 82 13.443 -4.402 -10.070
539 HH12 ARG 82 2HH1 ARG 82 14.233 -5.704 -10.858
540 HH21 ARG 82 1HH2 ARG 82 12.347 -8.186 -8.990
541 HH22 ARG 82 2HH2 ARG 82 13.657 -7.932 -10.093
542 H ALA 83 H ALA 83 7.077 -3.398 -8.706
543 HA ALA 83 HA ALA 83 7.124 -6.254 -8.850
544 HB1 ALA 83 1HB ALA 83 5.210 -4.452 -7.309
545 HB2 ALA 83 2HB ALA 83 5.591 -6.150 -6.951
546 HB3 ALA 83 3HB ALA 83 6.838 -4.887 -6.767
547 H ALA 84 H ALA 84 4.758 -3.839 -9.991
548 HA ALA 84 HA ALA 84 2.708 -5.766 -10.720
549 HB1 ALA 84 1HB ALA 84 3.229 -2.878 -11.549
550 HB2 ALA 84 2HB ALA 84 1.824 -3.824 -12.065
551 HB3 ALA 84 3HB ALA 84 2.053 -3.481 -10.347
552 H ARG 85 H ARG 85 5.742 -5.162 -12.149
553 HA ARG 85 HA ARG 85 4.945 -5.649 -14.925
554 HB3 ARG 85 2HB ARG 85 7.732 -6.162 -14.559
555 HG3 ARG 85 2HG ARG 85 6.314 -3.574 -15.307
556 HD3 ARG 85 2HD ARG 85 9.102 -4.593 -16.022
557 HE ARG 85 HE ARG 85 7.591 -2.523 -17.031
558 HH11 ARG 85 1HH1 ARG 85 10.822 -2.647 -15.485
559 HH12 ARG 85 2HH1 ARG 85 11.299 -1.137 -16.192
560 HH21 ARG 85 1HH2 ARG 85 8.213 -0.623 -17.832
561 HH22 ARG 85 2HH2 ARG 85 9.770 0.080 -17.557
562 H ILE 86 H ILE 86 5.787 -7.644 -12.213
563 HA ILE 86 HA ILE 86 5.722 -10.035 -14.043
564 HB ILE 86 HB ILE 86 7.056 -10.041 -11.321
565 HG13 ILE 86 2HG1 ILE 86 8.247 -9.264 -14.002
566 HG21 ILE 86 1HG2 ILE 86 6.458 -12.257 -12.139
567 HG22 ILE 86 2HG2 ILE 86 7.149 -11.921 -13.733
568 HG23 ILE 86 3HG2 ILE 86 8.188 -12.082 -12.303
569 HD11 ILE 86 3HD1 ILE 86 8.084 -7.455 -12.297
570 HD12 ILE 86 1HD1 ILE 86 8.902 -8.493 -11.109
571 HD13 ILE 86 2HD1 ILE 86 9.769 -7.925 -12.540
572 H ASP 87 H ASP 87 4.279 -8.498 -11.238
573 HA ASP 87 HA ASP 87 2.791 -10.926 -10.540
574 HB3 ASP 87 2HB ASP 87 2.333 -9.712 -8.478
575 HA PRO 88 HA PRO 88 -0.578 -8.566 -12.753
576 HB3 PRO 88 2HB PRO 88 -0.807 -10.182 -14.415
577 HG3 PRO 88 2HG PRO 88 -0.043 -12.412 -14.052
578 HD3 PRO 88 2HD PRO 88 1.795 -11.077 -13.436
579 H ASP 89 H ASP 89 -0.314 -10.935 -10.166
580 HA ASP 89 HA ASP 89 -3.048 -10.747 -9.242
581 HB3 ASP 89 2HB ASP 89 -1.809 -12.848 -9.079
582 H ILE 90 H ILE 90 -0.635 -8.419 -9.082
583 HA ILE 90 HA ILE 90 -0.825 -8.102 -6.178
584 HB ILE 90 HB ILE 90 1.237 -7.930 -7.582
585 HG13 ILE 90 2HG1 ILE 90 0.863 -7.179 -5.137
586 HG21 ILE 90 1HG2 ILE 90 0.275 -6.304 -9.286
587 HG22 ILE 90 2HG2 ILE 90 0.406 -5.041 -8.054
588 HG23 ILE 90 3HG2 ILE 90 1.863 -5.881 -8.634
589 HD11 ILE 90 3HD1 ILE 90 3.091 -6.306 -4.920
590 HD12 ILE 90 1HD1 ILE 90 3.098 -7.586 -6.143
591 HD13 ILE 90 2HD1 ILE 90 3.149 -5.878 -6.641
592 H TRP 91 H TRP 91 -1.623 -6.302 -5.163
593 HA TRP 91 HA TRP 91 -3.553 -4.555 -6.641
594 HB3 TRP 91 2HB TRP 91 -4.332 -4.049 -4.273
595 HD1 TRP 91 HD TRP 91 -4.029 -7.865 -4.848
596 HE1 TRP 91 1HE TRP 91 -6.363 -8.820 -5.233
597 HE3 TRP 91 3HE TRP 91 -6.617 -3.535 -4.844
598 HZ2 TRP 91 2HZ TRP 91 -9.090 -7.728 -5.702
599 HZ3 TRP 91 3HZ TRP 91 -9.124 -3.475 -5.029
600 HH2 TRP 91 HH TRP 91 -10.343 -5.578 -5.498
601 H VAL 92 H VAL 92 -3.033 -2.447 -6.777
602 HA VAL 92 HA VAL 92 -0.682 -1.393 -5.264
603 HB VAL 92 HB VAL 92 -1.718 -0.668 -8.037
604 HG11 VAL 92 1HG1 VAL 92 0.665 0.492 -6.522
605 HG12 VAL 92 2HG1 VAL 92 0.222 0.822 -8.213
606 HG13 VAL 92 3HG1 VAL 92 -0.846 1.352 -6.902
607 HG21 VAL 92 3HG2 VAL 92 -0.388 -2.780 -7.998
608 HG22 VAL 92 1HG2 VAL 92 0.478 -1.482 -8.831
609 HG23 VAL 92 2HG2 VAL 92 0.915 -1.925 -7.161
610 H VAL 93 H VAL 93 -1.453 -0.130 -3.673
611 HA VAL 93 HA VAL 93 -3.992 1.360 -4.114
612 HB VAL 93 HB VAL 93 -2.868 0.058 -1.602
613 HG11 VAL 93 1HG1 VAL 93 -3.992 2.157 -1.045
614 HG12 VAL 93 2HG1 VAL 93 -5.416 1.686 -1.994
615 HG13 VAL 93 3HG1 VAL 93 -4.966 0.775 -0.530
616 HG21 VAL 93 3HG2 VAL 93 -5.042 -1.227 -1.821
617 HG22 VAL 93 1HG2 VAL 93 -5.232 -0.532 -3.445
618 HG23 VAL 93 2HG2 VAL 93 -3.859 -1.601 -3.070
619 H GLU 94 H GLU 94 -3.369 3.289 -4.729
620 HA GLU 94 HA GLU 94 -0.923 4.560 -3.709
621 HB3 GLU 94 2HB GLU 94 -1.527 6.316 -5.282
622 HG3 GLU 94 2HG GLU 94 -1.980 3.796 -6.899
623 H ILE 95 H ILE 95 -1.043 5.847 -1.913
624 HA ILE 95 HA ILE 95 -3.558 7.315 -1.464
625 HB ILE 95 HB ILE 95 -1.555 6.615 0.724
626 HG13 ILE 95 2HG1 ILE 95 -3.018 4.925 1.646
627 HG21 ILE 95 1HG2 ILE 95 -4.418 7.621 0.773
628 HG22 ILE 95 2HG2 ILE 95 -3.462 7.184 2.211
629 HG23 ILE 95 3HG2 ILE 95 -2.949 8.517 1.177
630 HD11 ILE 95 3HD1 ILE 95 -5.134 5.454 0.279
631 HD12 ILE 95 1HD1 ILE 95 -4.336 4.582 -1.046
632 HD13 ILE 95 2HD1 ILE 95 -4.667 3.748 0.448
633 H GLU 96 H GLU 96 -3.018 9.261 -2.428
634 HA GLU 96 HA GLU 96 -0.363 10.435 -1.902
635 HB3 GLU 96 2HB GLU 96 -1.197 12.169 -3.601
636 HG3 GLU 96 2HG GLU 96 -0.613 9.327 -4.511
637 H ASP 97 H ASP 97 -0.764 10.956 0.378
638 HA ASP 97 HA ASP 97 -2.937 12.935 0.770
639 HB3 ASP 97 2HB ASP 97 -1.593 11.475 3.023
640 H ARG 98 H ARG 98 -2.352 14.511 2.405
641 HA ARG 98 HA ARG 98 0.291 15.650 1.857
642 HB3 ARG 98 2HB ARG 98 -0.521 17.635 3.033
643 HG3 ARG 98 2HG ARG 98 -2.697 16.664 1.116
644 HD3 ARG 98 2HD ARG 98 -2.457 19.043 0.290
645 HE ARG 98 HE ARG 98 -3.961 18.180 2.510
646 HH11 ARG 98 1HH1 ARG 98 -2.821 21.203 1.087
647 HH12 ARG 98 2HH1 ARG 98 -4.344 21.986 1.267
648 HH21 ARG 98 1HH2 ARG 98 -5.782 19.251 3.018
649 HH22 ARG 98 2HH2 ARG 98 -5.983 20.969 2.787
650 H ASP 99 H ASP 99 -1.568 14.755 4.919
651 HA ASP 99 HA ASP 99 0.852 15.198 6.350
652 HB3 ASP 99 2HB ASP 99 -1.278 15.930 7.233
653 H GLY 100 H GLY 100 1.328 13.060 4.566
654 HA2 GLY 100 1HA GLY 100 2.508 11.056 4.624
655 HA3 GLY 100 2HA GLY 100 2.619 11.273 6.372
656 H ARG 101 H ARG 101 -0.561 11.268 5.156
657 HA ARG 101 HA ARG 101 -1.224 9.298 7.073
658 HB3 ARG 101 2HB ARG 101 -3.436 9.776 5.288
659 HG3 ARG 101 2HG ARG 101 -4.164 11.377 6.983
660 HD3 ARG 101 2HD ARG 101 -4.325 8.756 7.188
661 HE ARG 101 HE ARG 101 -2.383 9.338 9.212
662 HH11 ARG 101 1HH1 ARG 101 -5.585 7.875 8.851
663 HH12 ARG 101 2HH1 ARG 101 -5.463 6.911 10.280
664 HH21 ARG 101 1HH2 ARG 101 -2.191 7.821 11.127
665 HH22 ARG 101 2HH2 ARG 101 -3.559 6.822 11.454
666 H HIS 102 H HIS 102 -0.975 7.254 6.870
667 HA HIS 102 HA HIS 102 -0.891 5.957 4.218
668 HB3 HIS 102 2HB HIS 102 0.232 4.163 5.272
669 HD1 HIS 102 1HD HIS 102 2.596 6.040 5.567
670 HD2 HIS 102 2HD HIS 102 -0.246 5.733 8.650
671 HE1 HIS 102 1HE HIS 102 3.650 7.017 7.570
672 H PHE 103 H PHE 103 -3.203 6.400 6.720
673 HA PHE 103 HA PHE 103 -5.088 5.380 7.429
674 HB3 PHE 103 2HB PHE 103 -6.702 4.905 5.416
675 HD1 PHE 103 2HD PHE 103 -7.672 6.238 7.306
676 HD2 PHE 103 1HD PHE 103 -4.956 7.934 4.392
677 HE1 PHE 103 2HE PHE 103 -8.419 8.507 7.922
678 HE2 PHE 103 1HE PHE 103 -5.853 10.201 4.935
679 HZ PHE 103 HZ PHE 103 -7.523 10.491 6.730
680 H LEU 104 H LEU 104 -2.891 3.425 7.315
681 HA LEU 104 HA LEU 104 -4.281 0.931 6.603
682 HB3 LEU 104 2HB LEU 104 -2.037 -0.053 7.443
683 HG LEU 104 HG LEU 104 -1.969 1.929 5.129
684 HD11 LEU 104 1HD1 LEU 104 -0.023 -0.228 6.002
685 HD12 LEU 104 2HD1 LEU 104 0.275 1.517 5.871
686 HD13 LEU 104 3HD1 LEU 104 0.026 0.541 4.420
687 HD21 LEU 104 3HD2 LEU 104 -3.665 0.035 4.895
688 HD22 LEU 104 1HD2 LEU 104 -2.310 -1.097 5.013
689 HD23 LEU 104 2HD2 LEU 104 -2.433 0.082 3.689
690 H THR 105 H THR 105 -4.483 -0.808 8.099
691 HA THR 105 HA THR 105 -4.873 -0.001 10.936
692 HB THR 105 HB THR 105 -6.969 -0.073 9.633
693 HG1 THR 105 1HG THR 105 -6.517 -2.008 11.610
694 HG21 THR 105 3HG2 THR 105 -6.352 -1.953 8.034
695 HG22 THR 105 1HG2 THR 105 -7.931 -2.129 8.802
696 HG23 THR 105 2HG2 THR 105 -6.558 -3.091 9.379
697 H GLU 106 H GLU 106 -2.636 -1.536 9.425
698 HA GLU 106 HA GLU 106 -2.646 -4.036 11.031
699 HB3 GLU 106 2HB GLU 106 -1.547 -5.011 8.854
700 HG3 GLU 106 2HG GLU 106 -4.500 -4.238 8.890
701 HA PRO 107 HA PRO 107 1.269 -2.759 12.304
702 HB3 PRO 107 2HB PRO 107 1.525 -4.725 13.452
703 HG3 PRO 107 2HG PRO 107 0.901 -6.813 12.462
704 HD3 PRO 107 2HD PRO 107 -0.956 -5.384 12.289
705 H VAL 108 H VAL 108 3.258 -1.794 11.564
706 HA VAL 108 HA VAL 108 4.213 -2.587 8.910
707 HB VAL 108 HB VAL 108 2.514 -0.989 8.496
708 HG11 VAL 108 1HG1 VAL 108 2.587 1.339 9.231
709 HG12 VAL 108 2HG1 VAL 108 2.140 0.166 10.470
710 HG13 VAL 108 3HG1 VAL 108 3.773 0.871 10.473
711 HG21 VAL 108 3HG2 VAL 108 4.738 -0.812 7.195
712 HG22 VAL 108 1HG2 VAL 108 3.691 0.614 7.152
713 HG23 VAL 108 2HG2 VAL 108 5.118 0.574 8.212
714 H GLU 109 H GLU 109 6.348 -2.235 8.461
715 HA GLU 109 HA GLU 109 8.056 -1.663 10.787
716 HB3 GLU 109 2HB GLU 109 9.706 -2.459 8.693
717 HG3 GLU 109 2HG GLU 109 9.221 -4.823 9.586
718 H SER 110 H SER 110 10.219 -0.779 10.217
719 HA SER 110 HA SER 110 10.035 1.798 8.753
720 HB3 SER 110 2HB SER 110 10.518 3.141 10.542
721 HG SER 110 HG SER 110 9.389 1.242 12.230
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -12.160 -12.303 16.742
2 HA2 GLY 1 1HA GLY 1 -13.404 -10.483 15.787
3 HA3 GLY 1 2HA GLY 1 -11.708 -10.307 15.282
4 H MET 2 H MET 2 -12.541 -9.136 13.317
5 HA MET 2 HA MET 2 -14.399 -10.374 11.494
6 HB3 MET 2 2HB MET 2 -13.653 -8.534 9.960
7 HG3 MET 2 2HG MET 2 -13.702 -6.597 11.804
8 HE1 MET 2 3HE MET 2 -16.578 -9.352 11.966
9 HE2 MET 2 1HE MET 2 -17.672 -8.762 10.701
10 HE3 MET 2 2HE MET 2 -16.108 -9.452 10.245
11 H LEU 3 H LEU 3 -13.766 -10.869 9.119
12 HA LEU 3 HA LEU 3 -10.977 -11.725 8.773
13 HB3 LEU 3 2HB LEU 3 -13.270 -13.494 7.863
14 HG LEU 3 HG LEU 3 -11.686 -15.264 7.903
15 HD11 LEU 3 1HD1 LEU 3 -10.108 -14.742 6.208
16 HD12 LEU 3 2HD1 LEU 3 -10.128 -13.017 6.585
17 HD13 LEU 3 3HD1 LEU 3 -11.563 -13.794 5.881
18 HD21 LEU 3 3HD2 LEU 3 -10.461 -14.661 9.934
19 HD22 LEU 3 1HD2 LEU 3 -9.633 -13.351 9.068
20 HD23 LEU 3 2HD2 LEU 3 -9.344 -15.027 8.594
21 H LEU 4 H LEU 4 -10.607 -10.045 7.360
22 HA LEU 4 HA LEU 4 -12.040 -9.835 4.945
23 HB3 LEU 4 2HB LEU 4 -12.458 -8.061 5.846
24 HG LEU 4 HG LEU 4 -10.546 -6.410 6.454
25 HD11 LEU 4 1HD1 LEU 4 -12.416 -6.917 7.959
26 HD12 LEU 4 2HD1 LEU 4 -10.865 -6.870 8.858
27 HD13 LEU 4 3HD1 LEU 4 -11.642 -8.430 8.472
28 HD21 LEU 4 3HD2 LEU 4 -9.237 -8.690 6.049
29 HD22 LEU 4 1HD2 LEU 4 -9.355 -8.769 7.775
30 HD23 LEU 4 2HD2 LEU 4 -8.558 -7.367 7.025
31 H SER 5 H SER 5 -11.127 -9.417 2.881
32 HA SER 5 HA SER 5 -8.608 -10.938 2.457
33 HB3 SER 5 2HB SER 5 -9.599 -11.611 0.271
34 HG SER 5 HG SER 5 -11.221 -12.303 2.518
35 H THR 6 H THR 6 -7.583 -10.179 0.248
36 HA THR 6 HA THR 6 -6.684 -7.675 0.632
37 HB THR 6 HB THR 6 -6.790 -8.969 -2.095
38 HG1 THR 6 1HG THR 6 -4.807 -9.611 -0.211
39 HG21 THR 6 3HG2 THR 6 -4.539 -7.981 -2.294
40 HG22 THR 6 1HG2 THR 6 -4.712 -7.294 -0.666
41 HG23 THR 6 2HG2 THR 6 -5.760 -6.734 -1.978
42 H ASP 7 H ASP 7 -9.360 -8.488 -1.651
43 HA ASP 7 HA ASP 7 -9.509 -5.818 -2.699
44 HB3 ASP 7 2HB ASP 7 -10.407 -7.936 -3.789
45 H ILE 8 H ILE 8 -11.020 -7.504 -0.009
46 HA ILE 8 HA ILE 8 -13.022 -5.612 0.666
47 HB ILE 8 HB ILE 8 -11.701 -7.494 2.594
48 HG13 ILE 8 2HG1 ILE 8 -13.439 -9.086 2.019
49 HG21 ILE 8 1HG2 ILE 8 -14.356 -6.025 2.478
50 HG22 ILE 8 2HG2 ILE 8 -14.127 -7.474 3.489
51 HG23 ILE 8 3HG2 ILE 8 -13.139 -6.064 3.764
52 HD11 ILE 8 3HD1 ILE 8 -15.142 -7.897 0.845
53 HD12 ILE 8 1HD1 ILE 8 -13.993 -7.339 -0.390
54 HD13 ILE 8 2HD1 ILE 8 -14.376 -9.049 -0.288
55 H TRP 9 H TRP 9 -9.602 -6.098 1.815
56 HA TRP 9 HA TRP 9 -9.613 -4.149 3.835
57 HB3 TRP 9 2HB TRP 9 -7.289 -4.090 3.725
58 HD1 TRP 9 HD TRP 9 -9.117 -6.603 4.588
59 HE1 TRP 9 1HE TRP 9 -7.972 -8.979 4.766
60 HE3 TRP 9 3HE TRP 9 -5.022 -5.641 1.839
61 HZ2 TRP 9 2HZ TRP 9 -5.678 -10.258 3.617
62 HZ3 TRP 9 3HZ TRP 9 -3.285 -7.444 1.431
63 HH2 TRP 9 HH TRP 9 -3.678 -9.724 2.223
64 H VAL 10 H VAL 10 -8.565 -3.963 0.405
65 HA VAL 10 HA VAL 10 -7.887 -1.243 0.356
66 HB VAL 10 HB VAL 10 -8.661 -3.169 -1.860
67 HG11 VAL 10 1HG1 VAL 10 -8.928 -0.877 -2.728
68 HG12 VAL 10 2HG1 VAL 10 -7.336 -0.431 -2.101
69 HG13 VAL 10 3HG1 VAL 10 -7.489 -1.620 -3.407
70 HG21 VAL 10 3HG2 VAL 10 -6.208 -3.291 -2.201
71 HG22 VAL 10 1HG2 VAL 10 -5.960 -2.171 -0.846
72 HG23 VAL 10 2HG2 VAL 10 -6.618 -3.783 -0.567
73 H ALA 11 H ALA 11 -11.034 -2.865 -0.403
74 HA ALA 11 HA ALA 11 -12.326 -0.649 -1.430
75 HB1 ALA 11 1HB ALA 11 -13.332 -2.888 -1.438
76 HB2 ALA 11 2HB ALA 11 -13.486 -2.885 0.335
77 HB3 ALA 11 3HB ALA 11 -14.442 -1.757 -0.651
78 H ALA 12 H ALA 12 -12.243 -1.634 2.027
79 HA ALA 12 HA ALA 12 -13.627 0.685 2.997
80 HB1 ALA 12 1HB ALA 12 -12.732 -0.011 5.215
81 HB2 ALA 12 2HB ALA 12 -13.533 -1.317 4.346
82 HB3 ALA 12 3HB ALA 12 -11.748 -1.254 4.415
83 H LEU 13 H LEU 13 -10.135 -0.114 2.906
84 HA LEU 13 HA LEU 13 -9.044 2.150 4.050
85 HB3 LEU 13 2HB LEU 13 -8.073 0.136 2.082
86 HG LEU 13 HG LEU 13 -7.108 2.341 1.153
87 HD11 LEU 13 1HD1 LEU 13 -6.873 3.531 3.357
88 HD12 LEU 13 2HD1 LEU 13 -5.345 3.439 2.469
89 HD13 LEU 13 3HD1 LEU 13 -5.636 2.336 3.833
90 HD21 LEU 13 3HD2 LEU 13 -4.793 1.484 1.113
91 HD22 LEU 13 1HD2 LEU 13 -5.987 0.213 0.792
92 HD23 LEU 13 2HD2 LEU 13 -5.205 0.318 2.382
93 H ILE 14 H ILE 14 -9.837 1.792 0.547
94 HA ILE 14 HA ILE 14 -9.167 4.461 -0.172
95 HB ILE 14 HB ILE 14 -11.078 2.402 -1.345
96 HG13 ILE 14 2HG1 ILE 14 -9.325 2.216 -3.122
97 HG21 ILE 14 1HG2 ILE 14 -10.309 5.105 -2.543
98 HG22 ILE 14 2HG2 ILE 14 -11.049 3.777 -3.459
99 HG23 ILE 14 3HG2 ILE 14 -11.926 4.532 -2.131
100 HD11 ILE 14 3HD1 ILE 14 -8.138 4.439 -2.495
101 HD12 ILE 14 1HD1 ILE 14 -7.406 3.526 -1.162
102 HD13 ILE 14 2HD1 ILE 14 -7.104 3.022 -2.832
103 H ARG 15 H ARG 15 -12.350 3.092 0.798
104 HA ARG 15 HA ARG 15 -13.788 5.519 0.607
105 HB3 ARG 15 2HB ARG 15 -15.254 4.500 2.473
106 HG3 ARG 15 2HG ARG 15 -15.189 2.310 0.536
107 HD3 ARG 15 2HD ARG 15 -17.090 4.548 1.279
108 HE ARG 15 HE ARG 15 -17.779 2.778 -0.973
109 HH11 ARG 15 1HH1 ARG 15 -16.844 6.090 0.089
110 HH12 ARG 15 2HH1 ARG 15 -16.817 6.673 -1.534
111 HH21 ARG 15 1HH2 ARG 15 -18.039 3.770 -3.077
112 HH22 ARG 15 2HH2 ARG 15 -17.542 5.438 -3.248
113 H ARG 16 H ARG 16 -11.773 4.308 3.258
114 HA ARG 16 HA ARG 16 -12.652 6.345 5.147
115 HB3 ARG 16 2HB ARG 16 -10.803 5.266 6.530
116 HG3 ARG 16 2HG ARG 16 -13.016 3.586 5.305
117 HD3 ARG 16 2HD ARG 16 -11.208 1.959 5.718
118 HE ARG 16 HE ARG 16 -9.867 2.829 7.423
119 HH11 ARG 16 1HH1 ARG 16 -13.083 2.177 8.804
120 HH12 ARG 16 2HH1 ARG 16 -12.487 2.008 10.413
121 HH21 ARG 16 1HH2 ARG 16 -9.100 2.598 9.590
122 HH22 ARG 16 2HH2 ARG 16 -10.236 2.273 10.857
123 H ALA 17 H ALA 17 -9.827 5.862 3.006
124 HA ALA 17 HA ALA 17 -8.190 7.999 3.990
125 HB1 ALA 17 1HB ALA 17 -7.333 6.108 2.611
126 HB2 ALA 17 2HB ALA 17 -8.376 6.639 1.260
127 HB3 ALA 17 3HB ALA 17 -7.035 7.671 1.815
128 H GLU 18 H GLU 18 -10.367 7.663 1.118
129 HA GLU 18 HA GLU 18 -10.197 10.326 0.218
130 HB3 GLU 18 2HB GLU 18 -12.515 9.811 -0.664
131 HG3 GLU 18 2HG GLU 18 -10.421 7.724 -1.412
132 H LEU 19 H LEU 19 -12.445 8.837 2.609
133 HA LEU 19 HA LEU 19 -14.023 11.032 3.268
134 HB3 LEU 19 2HB LEU 19 -13.172 9.602 5.708
135 HG LEU 19 HG LEU 19 -15.628 9.520 3.961
136 HD11 LEU 19 1HD1 LEU 19 -16.667 8.219 5.855
137 HD12 LEU 19 2HD1 LEU 19 -15.072 8.083 6.606
138 HD13 LEU 19 3HD1 LEU 19 -15.389 7.330 5.023
139 HD21 LEU 19 3HD2 LEU 19 -15.340 11.615 5.265
140 HD22 LEU 19 1HD2 LEU 19 -15.157 10.667 6.763
141 HD23 LEU 19 2HD2 LEU 19 -16.694 10.677 5.887
142 H GLY 20 H GLY 20 -10.798 10.279 4.319
143 HA2 GLY 20 1HA GLY 20 -10.492 12.313 6.333
144 HA3 GLY 20 2HA GLY 20 -9.176 11.483 5.483
145 H GLY 21 H GLY 21 -10.315 12.312 2.832
146 HA2 GLY 21 1HA GLY 21 -10.503 14.337 1.581
147 HA3 GLY 21 2HA GLY 21 -9.465 15.169 2.744
148 H ALA 22 H ALA 22 -8.234 12.009 2.148
149 HA ALA 22 HA ALA 22 -5.985 13.191 0.624
150 HB1 ALA 22 1HB ALA 22 -5.292 11.713 2.410
151 HB2 ALA 22 2HB ALA 22 -6.418 10.434 1.870
152 HB3 ALA 22 3HB ALA 22 -4.999 10.869 0.908
153 H PHE 23 H PHE 23 -5.179 11.876 -1.283
154 HA PHE 23 HA PHE 23 -7.490 11.245 -3.060
155 HB3 PHE 23 2HB PHE 23 -4.675 11.643 -4.054
156 HD1 PHE 23 1HD PHE 23 -8.148 13.052 -4.513
157 HD2 PHE 23 2HD PHE 23 -4.704 11.197 -6.364
158 HE1 PHE 23 1HE PHE 23 -9.235 13.207 -6.719
159 HE2 PHE 23 2HE PHE 23 -5.804 11.370 -8.567
160 HZ PHE 23 HZ PHE 23 -8.065 12.389 -8.767
161 H ALA 24 H ALA 24 -7.920 9.057 -2.967
162 HA ALA 24 HA ALA 24 -5.618 7.161 -2.880
163 HB1 ALA 24 1HB ALA 24 -6.899 5.890 -1.200
164 HB2 ALA 24 2HB ALA 24 -6.542 7.520 -0.605
165 HB3 ALA 24 3HB ALA 24 -8.170 7.123 -1.203
166 H THR 25 H THR 25 -5.899 5.382 -4.211
167 HA THR 25 HA THR 25 -8.434 4.392 -4.877
168 HB THR 25 HB THR 25 -8.352 6.412 -6.429
169 HG1 THR 25 1HG THR 25 -9.466 5.274 -7.819
170 HG21 THR 25 3HG2 THR 25 -6.458 4.645 -8.009
171 HG22 THR 25 1HG2 THR 25 -5.929 6.097 -7.082
172 HG23 THR 25 2HG2 THR 25 -7.062 6.247 -8.442
173 H VAL 26 H VAL 26 -8.075 2.654 -6.776
174 HA VAL 26 HA VAL 26 -5.437 1.375 -6.373
175 HB VAL 26 HB VAL 26 -7.216 0.186 -5.219
176 HG11 VAL 26 1HG1 VAL 26 -8.522 -0.280 -7.921
177 HG12 VAL 26 2HG1 VAL 26 -8.966 -1.054 -6.388
178 HG13 VAL 26 3HG1 VAL 26 -9.175 0.681 -6.571
179 HG21 VAL 26 3HG2 VAL 26 -5.412 -1.182 -5.911
180 HG22 VAL 26 1HG2 VAL 26 -6.865 -2.063 -6.433
181 HG23 VAL 26 2HG2 VAL 26 -5.938 -1.137 -7.602
182 H ALA 27 H ALA 27 -4.288 1.026 -8.163
183 HA ALA 27 HA ALA 27 -5.402 1.927 -10.763
184 HB1 ALA 27 1HB ALA 27 -2.471 1.612 -10.102
185 HB2 ALA 27 2HB ALA 27 -3.250 2.721 -11.232
186 HB3 ALA 27 3HB ALA 27 -3.365 3.011 -9.499
187 H ARG 28 H ARG 28 -4.671 -0.943 -9.253
188 HA ARG 28 HA ARG 28 -4.501 -2.546 -11.693
189 HB3 ARG 28 2HB ARG 28 -2.284 -2.975 -9.720
190 HG3 ARG 28 2HG ARG 28 -2.830 -3.989 -12.393
191 HD3 ARG 28 2HD ARG 28 -0.326 -3.759 -13.034
192 HE ARG 28 HE ARG 28 -2.206 -2.602 -14.205
193 HH11 ARG 28 1HH1 ARG 28 0.510 -0.687 -12.778
194 HH12 ARG 28 2HH1 ARG 28 0.084 0.713 -13.707
195 HH21 ARG 28 1HH2 ARG 28 -2.454 -0.902 -15.559
196 HH22 ARG 28 2HH2 ARG 28 -1.360 0.459 -15.554
197 H LYS 29 H LYS 29 -4.944 -4.851 -11.088
198 HA LYS 29 HA LYS 29 -5.941 -5.112 -8.275
199 HB3 LYS 29 2HB LYS 29 -7.126 -6.115 -10.900
200 HG3 LYS 29 2HG LYS 29 -7.816 -6.791 -8.019
201 HD3 LYS 29 2HD LYS 29 -9.699 -8.058 -8.855
202 HE3 LYS 29 2HE LYS 29 -10.206 -5.240 -9.809
203 HZ1 LYS 29 3HZ LYS 29 -11.829 -6.833 -7.940
204 HZ2 LYS 29 1HZ LYS 29 -11.901 -7.153 -9.536
205 HZ3 LYS 29 2HZ LYS 29 -12.318 -5.651 -8.951
206 H GLY 30 H GLY 30 -5.733 -7.134 -7.305
207 HA2 GLY 30 1HA GLY 30 -3.959 -9.090 -8.570
208 HA3 GLY 30 2HA GLY 30 -3.837 -8.731 -6.875
209 H ASP 31 H ASP 31 -4.358 -11.213 -6.784
210 HA ASP 31 HA ASP 31 -6.763 -12.384 -7.530
211 HB3 ASP 31 2HB ASP 31 -5.172 -13.245 -5.128
212 H ALA 32 H ALA 32 -7.456 -10.095 -5.977
213 HA ALA 32 HA ALA 32 -8.587 -9.249 -4.126
214 HB1 ALA 32 1HB ALA 32 -10.329 -10.007 -5.641
215 HB2 ALA 32 2HB ALA 32 -10.315 -11.618 -4.878
216 HB3 ALA 32 3HB ALA 32 -10.853 -10.205 -3.958
217 H ARG 33 H ARG 33 -7.316 -12.350 -3.440
218 HA ARG 33 HA ARG 33 -7.740 -12.123 -0.578
219 HB3 ARG 33 2HB ARG 33 -8.124 -14.234 -2.757
220 HG3 ARG 33 2HG ARG 33 -8.954 -15.448 -0.444
221 HD3 ARG 33 2HD ARG 33 -6.394 -15.587 -2.073
222 HE ARG 33 HE ARG 33 -6.094 -16.126 0.500
223 HH11 ARG 33 1HH1 ARG 33 -6.234 -18.329 -2.241
224 HH12 ARG 33 2HH1 ARG 33 -6.356 -19.773 -1.279
225 HH21 ARG 33 1HH2 ARG 33 -5.821 -17.956 1.776
226 HH22 ARG 33 2HH2 ARG 33 -5.795 -19.559 1.091
227 H ALA 34 H ALA 34 -5.765 -13.374 -3.310
228 HA ALA 34 HA ALA 34 -3.391 -13.356 -1.551
229 HB1 ALA 34 1HB ALA 34 -4.156 -15.469 -3.613
230 HB2 ALA 34 2HB ALA 34 -2.632 -15.419 -2.706
231 HB3 ALA 34 3HB ALA 34 -4.149 -15.691 -1.846
232 H GLY 35 H GLY 35 -4.378 -11.294 -3.216
233 HA2 GLY 35 1HA GLY 35 -2.378 -11.179 -5.407
234 HA3 GLY 35 2HA GLY 35 -3.640 -9.986 -5.117
235 H ALA 36 H ALA 36 -0.499 -10.308 -4.883
236 HA ALA 36 HA ALA 36 0.088 -9.238 -2.217
237 HB1 ALA 36 1HB ALA 36 1.903 -10.235 -3.486
238 HB2 ALA 36 2HB ALA 36 1.631 -9.130 -4.848
239 HB3 ALA 36 3HB ALA 36 2.236 -8.504 -3.293
240 H VAL 37 H VAL 37 0.343 -6.840 -1.727
241 HA VAL 37 HA VAL 37 -0.773 -5.014 -3.725
242 HB VAL 37 HB VAL 37 -2.530 -5.147 -2.272
243 HG11 VAL 37 1HG1 VAL 37 -2.925 -6.061 -0.368
244 HG12 VAL 37 2HG1 VAL 37 -2.206 -7.068 -1.590
245 HG13 VAL 37 3HG1 VAL 37 -1.183 -6.508 -0.210
246 HG21 VAL 37 3HG2 VAL 37 -2.813 -3.473 -0.775
247 HG22 VAL 37 1HG2 VAL 37 -1.043 -3.253 -0.681
248 HG23 VAL 37 2HG2 VAL 37 -1.901 -2.936 -2.182
249 H LEU 38 H LEU 38 0.290 -3.128 -3.968
250 HA LEU 38 HA LEU 38 2.371 -2.308 -2.043
251 HB3 LEU 38 2HB LEU 38 2.722 -0.751 -4.162
252 HG LEU 38 HG LEU 38 4.494 -2.089 -3.902
253 HD11 LEU 38 1HD1 LEU 38 4.614 -4.573 -3.920
254 HD12 LEU 38 2HD1 LEU 38 2.861 -4.569 -3.900
255 HD13 LEU 38 3HD1 LEU 38 3.774 -3.824 -2.576
256 HD21 LEU 38 3HD2 LEU 38 3.409 -3.506 -6.295
257 HD22 LEU 38 1HD2 LEU 38 5.070 -3.053 -6.006
258 HD23 LEU 38 2HD2 LEU 38 3.850 -1.803 -6.326
259 H VAL 39 H VAL 39 1.609 -0.954 -0.619
260 HA VAL 39 HA VAL 39 -0.488 1.011 -1.432
261 HB VAL 39 HB VAL 39 0.262 0.281 1.403
262 HG11 VAL 39 1HG1 VAL 39 -0.523 2.649 1.026
263 HG12 VAL 39 2HG1 VAL 39 -2.007 2.011 0.300
264 HG13 VAL 39 3HG1 VAL 39 -1.643 1.720 2.013
265 HG21 VAL 39 3HG2 VAL 39 -2.086 -0.609 -0.300
266 HG22 VAL 39 1HG2 VAL 39 -0.905 -1.583 0.627
267 HG23 VAL 39 2HG2 VAL 39 -2.116 -0.637 1.477
268 H LYS 40 H LYS 40 0.857 2.458 -2.466
269 HA LYS 40 HA LYS 40 3.339 3.430 -1.109
270 HB3 LYS 40 2HB LYS 40 1.899 4.055 -3.684
271 HG3 LYS 40 2HG LYS 40 4.422 5.318 -2.513
272 HD3 LYS 40 2HD LYS 40 3.324 5.038 -5.331
273 HE3 LYS 40 2HE LYS 40 5.199 7.129 -4.186
274 HZ1 LYS 40 3HZ LYS 40 5.996 6.399 -6.403
275 HZ2 LYS 40 1HZ LYS 40 5.145 7.778 -6.712
276 HZ3 LYS 40 2HZ LYS 40 4.465 6.370 -6.977
277 H ALA 41 H ALA 41 3.375 5.425 -0.021
278 HA ALA 41 HA ALA 41 0.856 6.967 0.145
279 HB1 ALA 41 1HB ALA 41 2.610 6.297 2.534
280 HB2 ALA 41 2HB ALA 41 1.187 7.361 2.518
281 HB3 ALA 41 3HB ALA 41 0.977 5.625 2.216
282 H VAL 42 H VAL 42 1.349 8.888 -0.682
283 HA VAL 42 HA VAL 42 4.142 9.892 -0.507
284 HB VAL 42 HB VAL 42 1.892 10.907 -2.265
285 HG11 VAL 42 1HG1 VAL 42 3.709 12.516 -1.928
286 HG12 VAL 42 2HG1 VAL 42 4.912 11.246 -2.250
287 HG13 VAL 42 3HG1 VAL 42 3.854 11.826 -3.558
288 HG21 VAL 42 3HG2 VAL 42 3.051 9.686 -4.131
289 HG22 VAL 42 1HG2 VAL 42 4.058 8.861 -2.918
290 HG23 VAL 42 2HG2 VAL 42 2.294 8.599 -2.967
291 H ASP 43 H ASP 43 4.575 11.626 0.739
292 HA ASP 43 HA ASP 43 2.365 12.852 2.321
293 HB3 ASP 43 2HB ASP 43 5.373 13.029 2.640
294 H ARG 44 H ARG 44 1.499 14.604 1.170
295 HA ARG 44 HA ARG 44 3.094 16.135 -0.598
296 HB3 ARG 44 2HB ARG 44 1.239 18.028 0.024
297 HG3 ARG 44 2HG ARG 44 -0.313 16.950 -1.578
298 HD3 ARG 44 2HD ARG 44 1.495 16.322 -3.401
299 HE ARG 44 HE ARG 44 0.550 18.395 -3.744
300 HH11 ARG 44 1HH1 ARG 44 3.084 18.830 -1.180
301 HH12 ARG 44 2HH1 ARG 44 3.070 20.540 -1.340
302 HH21 ARG 44 1HH2 ARG 44 0.895 20.643 -4.108
303 HH22 ARG 44 2HH2 ARG 44 1.955 21.554 -3.077
304 H ARG 45 H ARG 45 2.945 16.480 2.920
305 HA ARG 45 HA ARG 45 3.536 19.345 2.692
306 HB3 ARG 45 2HB ARG 45 2.038 18.157 4.351
307 HG3 ARG 45 2HG ARG 45 4.602 18.049 5.866
308 HD3 ARG 45 2HD ARG 45 1.941 16.959 6.750
309 HE ARG 45 HE ARG 45 4.507 16.521 7.645
310 HH11 ARG 45 1HH1 ARG 45 1.693 18.022 9.178
311 HH12 ARG 45 2HH1 ARG 45 2.175 17.547 10.781
312 HH21 ARG 45 1HH2 ARG 45 5.330 16.301 9.652
313 HH22 ARG 45 2HH2 ARG 45 4.426 16.653 11.093
314 H GLU 46 H GLU 46 5.230 16.531 3.352
315 HA GLU 46 HA GLU 46 7.774 18.040 3.926
316 HB3 GLU 46 2HB GLU 46 8.679 15.994 4.892
317 HG3 GLU 46 2HG GLU 46 5.856 16.272 5.847
318 H GLY 47 H GLY 47 6.281 16.692 1.258
319 HA2 GLY 47 1HA GLY 47 7.083 16.471 -0.897
320 HA3 GLY 47 2HA GLY 47 8.725 16.735 -0.321
321 H THR 48 H THR 48 7.564 14.348 1.698
322 HA THR 48 HA THR 48 9.437 12.510 0.477
323 HB THR 48 HB THR 48 8.899 11.333 2.754
324 HG1 THR 48 1HG THR 48 7.850 12.680 4.249
325 HG21 THR 48 3HG2 THR 48 10.253 12.930 4.034
326 HG22 THR 48 1HG2 THR 48 9.910 14.213 2.859
327 HG23 THR 48 2HG2 THR 48 10.914 12.824 2.396
328 H ALA 49 H ALA 49 8.837 10.104 0.724
329 HA ALA 49 HA ALA 49 6.021 9.493 0.645
330 HB1 ALA 49 1HB ALA 49 6.235 8.148 -1.494
331 HB2 ALA 49 2HB ALA 49 6.355 9.894 -1.743
332 HB3 ALA 49 3HB ALA 49 7.815 8.952 -1.766
333 H ARG 50 H ARG 50 5.743 7.248 0.735
334 HA ARG 50 HA ARG 50 8.147 5.555 1.069
335 HB3 ARG 50 2HB ARG 50 6.864 4.393 3.145
336 HG3 ARG 50 2HG ARG 50 8.179 5.562 4.757
337 HD3 ARG 50 2HD ARG 50 9.971 5.647 2.317
338 HE ARG 50 HE ARG 50 10.553 5.561 5.029
339 HH11 ARG 50 1HH1 ARG 50 11.520 3.616 2.122
340 HH12 ARG 50 2HH1 ARG 50 12.334 2.456 3.103
341 HH21 ARG 50 1HH2 ARG 50 12.166 4.199 6.115
342 HH22 ARG 50 2HH2 ARG 50 13.084 3.064 5.200
343 H LEU 51 H LEU 51 7.397 3.115 1.409
344 HA LEU 51 HA LEU 51 5.035 2.628 -0.258
345 HB3 LEU 51 2HB LEU 51 7.034 0.611 -0.875
346 HG LEU 51 HG LEU 51 5.253 2.520 -2.359
347 HD11 LEU 51 1HD1 LEU 51 7.343 2.925 -3.481
348 HD12 LEU 51 2HD1 LEU 51 6.279 1.964 -4.513
349 HD13 LEU 51 3HD1 LEU 51 7.623 1.179 -3.674
350 HD21 LEU 51 3HD2 LEU 51 5.954 -0.320 -3.118
351 HD22 LEU 51 1HD2 LEU 51 4.503 0.604 -3.511
352 HD23 LEU 51 2HD2 LEU 51 4.737 0.008 -1.844
353 H PHE 52 H PHE 52 3.893 1.020 0.433
354 HA PHE 52 HA PHE 52 5.101 -0.728 2.525
355 HB3 PHE 52 2HB PHE 52 2.986 -0.902 3.613
356 HD1 PHE 52 1HD PHE 52 5.050 0.398 4.724
357 HD2 PHE 52 2HD PHE 52 1.736 2.283 2.711
358 HE1 PHE 52 1HE PHE 52 5.617 2.567 5.788
359 HE2 PHE 52 2HE PHE 52 2.310 4.428 3.777
360 HZ PHE 52 HZ PHE 52 4.220 4.600 5.310
361 H SER 53 H SER 53 4.665 -2.930 2.360
362 HA SER 53 HA SER 53 3.370 -3.966 -0.094
363 HB3 SER 53 2HB SER 53 5.935 -5.225 0.763
364 HG SER 53 HG SER 53 4.825 -5.441 -1.312
365 H GLU 54 H GLU 54 2.759 -6.284 0.271
366 HA GLU 54 HA GLU 54 2.169 -6.773 3.070
367 HB3 GLU 54 2HB GLU 54 0.547 -7.476 1.385
368 HG3 GLU 54 2HG GLU 54 2.795 -9.314 0.493
369 H ALA 55 H ALA 55 2.959 -8.484 4.317
370 HA ALA 55 HA ALA 55 5.043 -10.220 3.360
371 HB1 ALA 55 1HB ALA 55 5.578 -8.148 5.534
372 HB2 ALA 55 2HB ALA 55 6.453 -9.694 5.475
373 HB3 ALA 55 3HB ALA 55 6.582 -8.593 4.112
374 H THR 56 H THR 56 5.518 -11.697 5.339
375 HA THR 56 HA THR 56 3.351 -11.958 7.215
376 HB THR 56 HB THR 56 3.688 -14.594 6.583
377 HG1 THR 56 1HG THR 56 3.620 -14.885 4.424
378 HG21 THR 56 3HG2 THR 56 1.477 -14.547 5.566
379 HG22 THR 56 1HG2 THR 56 1.597 -12.780 5.341
380 HG23 THR 56 2HG2 THR 56 1.547 -13.486 6.971
381 H ARG 57 H ARG 57 4.056 -13.173 9.028
382 HA ARG 57 HA ARG 57 7.018 -13.523 9.178
383 HB3 ARG 57 2HB ARG 57 6.075 -12.235 10.992
384 HG3 ARG 57 2HG ARG 57 4.568 -14.706 11.907
385 HD3 ARG 57 2HD ARG 57 3.516 -12.955 13.383
386 HE ARG 57 HE ARG 57 6.415 -13.241 13.916
387 HH11 ARG 57 1HH1 ARG 57 3.014 -13.709 15.029
388 HH12 ARG 57 2HH1 ARG 57 3.427 -14.846 16.244
389 HH21 ARG 57 1HH2 ARG 57 6.961 -14.414 15.771
390 HH22 ARG 57 2HH2 ARG 57 5.818 -15.273 16.711
391 H GLY 58 H GLY 58 7.642 -15.461 10.589
392 HA2 GLY 58 1HA GLY 58 7.173 -17.839 9.182
393 HA3 GLY 58 2HA GLY 58 7.879 -17.717 10.796
394 H ASP 59 H ASP 59 5.047 -16.364 11.414
395 HA ASP 59 HA ASP 59 3.636 -18.902 11.985
396 HB3 ASP 59 2HB ASP 59 3.153 -16.313 13.384
397 H GLY 60 H GLY 60 3.618 -16.866 9.542
398 HA2 GLY 60 1HA GLY 60 2.128 -16.455 7.895
399 HA3 GLY 60 2HA GLY 60 0.895 -17.337 8.785
400 H GLU 61 H GLU 61 2.413 -14.599 10.416
401 HA GLU 61 HA GLU 61 -0.269 -13.334 10.557
402 HB3 GLU 61 2HB GLU 61 2.220 -12.181 11.802
403 HG3 GLU 61 2HG GLU 61 -0.598 -12.010 12.381
404 H ARG 62 H ARG 62 -0.771 -11.920 8.885
405 HA ARG 62 HA ARG 62 1.395 -10.975 7.165
406 HB3 ARG 62 2HB ARG 62 -1.567 -10.501 7.119
407 HG3 ARG 62 2HG ARG 62 0.414 -9.815 4.921
408 HD3 ARG 62 2HD ARG 62 -1.746 -8.734 3.989
409 HE ARG 62 HE ARG 62 -0.806 -10.480 2.748
410 HH11 ARG 62 1HH1 ARG 62 -3.477 -11.614 4.841
411 HH12 ARG 62 2HH1 ARG 62 -4.037 -12.752 3.659
412 HH21 ARG 62 1HH2 ARG 62 -1.386 -12.086 1.362
413 HH22 ARG 62 2HH2 ARG 62 -2.683 -13.187 1.690
414 H PHE 63 H PHE 63 1.965 -8.882 6.857
415 HA PHE 63 HA PHE 63 0.958 -6.721 8.550
416 HB3 PHE 63 2HB PHE 63 2.640 -7.526 10.017
417 HD1 PHE 63 2HD PHE 63 3.580 -9.764 9.330
418 HD2 PHE 63 1HD PHE 63 5.395 -6.018 8.021
419 HE1 PHE 63 2HE PHE 63 5.800 -10.826 9.155
420 HE2 PHE 63 1HE PHE 63 7.551 -7.162 7.834
421 HZ PHE 63 HZ PHE 63 7.774 -9.554 8.390
422 H TRP 64 H TRP 64 2.330 -4.621 7.917
423 HA TRP 64 HA TRP 64 2.674 -4.620 4.963
424 HB3 TRP 64 2HB TRP 64 2.251 -2.170 5.202
425 HD1 TRP 64 HD TRP 64 -0.586 -3.151 7.325
426 HE1 TRP 64 1HE TRP 64 -2.672 -3.832 5.924
427 HE3 TRP 64 3HE TRP 64 1.644 -3.470 2.766
428 HZ2 TRP 64 2HZ TRP 64 -3.214 -4.502 3.163
429 HZ3 TRP 64 3HZ TRP 64 0.389 -4.213 0.802
430 HH2 TRP 64 HH TRP 64 -2.036 -4.649 0.892
431 H MET 65 H MET 65 4.773 -4.854 4.592
432 HA MET 65 HA MET 65 6.779 -3.659 6.434
433 HB3 MET 65 2HB MET 65 6.996 -6.061 5.904
434 HG3 MET 65 2HG MET 65 6.856 -5.059 3.095
435 HE1 MET 65 3HE MET 65 8.610 -8.107 5.004
436 HE2 MET 65 1HE MET 65 10.185 -8.115 4.178
437 HE3 MET 65 2HE MET 65 9.740 -6.753 5.213
438 H GLN 66 H GLN 66 8.803 -2.839 5.240
439 HA GLN 66 HA GLN 66 7.982 -1.147 2.933
440 HB3 GLN 66 2HB GLN 66 9.478 0.563 3.796
441 HG3 GLN 66 2HG GLN 66 7.566 -0.142 6.043
442 HE21 GLN 66 1HE2 GLN 66 10.371 1.623 5.288
443 HE22 GLN 66 2HE2 GLN 66 10.077 3.012 6.302
444 HA PRO 67 HA PRO 67 11.532 -4.000 2.012
445 HB3 PRO 67 2HB PRO 67 10.011 -5.471 0.953
446 HG3 PRO 67 2HG PRO 67 8.148 -4.577 -0.261
447 HD3 PRO 67 2HD PRO 67 7.989 -3.805 1.957
448 H VAL 68 H VAL 68 10.422 -1.135 0.443
449 HA VAL 68 HA VAL 68 12.725 -0.923 -1.385
450 HB VAL 68 HB VAL 68 10.778 1.281 -0.530
451 HG11 VAL 68 1HG1 VAL 68 12.626 0.980 -2.950
452 HG12 VAL 68 2HG1 VAL 68 11.538 2.339 -2.647
453 HG13 VAL 68 3HG1 VAL 68 12.904 2.055 -1.571
454 HG21 VAL 68 3HG2 VAL 68 9.684 0.836 -2.754
455 HG22 VAL 68 1HG2 VAL 68 10.597 -0.684 -2.827
456 HG23 VAL 68 2HG2 VAL 68 9.399 -0.421 -1.543
457 H ARG 69 H ARG 69 14.628 -1.012 -0.206
458 HA ARG 69 HA ARG 69 14.895 0.396 2.311
459 HB3 ARG 69 2HB ARG 69 17.065 -0.765 0.560
460 HG3 ARG 69 2HG ARG 69 17.455 -1.353 3.321
461 HD3 ARG 69 2HD ARG 69 18.751 0.661 1.469
462 HE ARG 69 HE ARG 69 19.331 0.156 4.228
463 HH11 ARG 69 1HH1 ARG 69 21.275 0.239 1.269
464 HH12 ARG 69 2HH1 ARG 69 22.456 1.327 1.948
465 HH21 ARG 69 1HH2 ARG 69 21.064 1.147 5.169
466 HH22 ARG 69 2HH2 ARG 69 22.432 1.715 4.279
467 H SER 70 H SER 70 13.904 2.164 0.717
468 HA SER 70 HA SER 70 15.696 4.340 0.693
469 HB3 SER 70 2HB SER 70 14.606 3.678 -2.052
470 HG SER 70 HG SER 70 16.050 5.210 -2.667
471 H THR 71 H THR 71 14.518 6.343 -0.059
472 HA THR 71 HA THR 71 11.615 6.253 0.497
473 HB THR 71 HB THR 71 13.031 6.584 2.498
474 HG1 THR 71 1HG THR 71 11.167 8.655 1.959
475 HG21 THR 71 3HG2 THR 71 13.377 9.230 1.139
476 HG22 THR 71 1HG2 THR 71 14.640 8.028 1.445
477 HG23 THR 71 2HG2 THR 71 13.867 8.864 2.818
478 H PHE 72 H PHE 72 13.764 6.812 -1.888
479 HA PHE 72 HA PHE 72 13.014 9.533 -2.576
480 HB3 PHE 72 2HB PHE 72 14.278 8.304 -4.796
481 HD1 PHE 72 1HD PHE 72 13.935 10.910 -4.703
482 HD2 PHE 72 2HD PHE 72 16.775 8.735 -2.275
483 HE1 PHE 72 1HE PHE 72 15.125 13.010 -4.201
484 HE2 PHE 72 2HE PHE 72 17.964 10.871 -1.787
485 HZ PHE 72 HZ PHE 72 17.114 12.994 -2.740
486 H GLU 73 H GLU 73 11.389 10.178 -3.889
487 HA GLU 73 HA GLU 73 9.307 8.849 -4.816
488 HB3 GLU 73 2HB GLU 73 10.812 11.123 -6.164
489 HG3 GLU 73 2HG GLU 73 7.860 10.492 -6.533
490 HA PRO 74 HA PRO 74 10.952 7.456 -9.068
491 HB3 PRO 74 2HB PRO 74 12.708 8.633 -9.930
492 HG3 PRO 74 2HG PRO 74 14.371 9.586 -8.508
493 HD3 PRO 74 2HD PRO 74 12.252 10.288 -7.708
494 H ASP 75 H ASP 75 12.850 6.565 -6.174
495 HA ASP 75 HA ASP 75 13.401 3.867 -6.991
496 HB3 ASP 75 2HB ASP 75 13.850 3.477 -4.588
497 H LEU 76 H LEU 76 10.852 5.583 -5.348
498 HA LEU 76 HA LEU 76 9.398 3.269 -4.415
499 HB3 LEU 76 2HB LEU 76 7.700 5.087 -3.773
500 HG LEU 76 HG LEU 76 10.606 5.476 -2.903
501 HD11 LEU 76 1HD1 LEU 76 9.663 6.756 -1.005
502 HD12 LEU 76 2HD1 LEU 76 8.062 6.642 -1.758
503 HD13 LEU 76 3HD1 LEU 76 9.374 7.543 -2.560
504 HD21 LEU 76 3HD2 LEU 76 9.978 4.348 -0.865
505 HD22 LEU 76 1HD2 LEU 76 9.541 3.304 -2.223
506 HD23 LEU 76 2HD2 LEU 76 8.282 4.255 -1.406
507 H ASP 77 H ASP 77 8.785 5.808 -6.865
508 HA ASP 77 HA ASP 77 6.427 4.824 -8.092
509 HB3 ASP 77 2HB ASP 77 8.852 6.300 -9.209
510 H ALA 78 H ALA 78 9.878 4.205 -9.041
511 HA ALA 78 HA ALA 78 9.216 2.432 -11.115
512 HB1 ALA 78 1HB ALA 78 11.437 3.415 -10.844
513 HB2 ALA 78 2HB ALA 78 11.708 2.461 -9.371
514 HB3 ALA 78 3HB ALA 78 11.545 1.650 -10.947
515 H TYR 79 H TYR 79 9.372 1.808 -7.608
516 HA TYR 79 HA TYR 79 9.698 -1.042 -7.720
517 HB3 TYR 79 2HB TYR 79 7.968 0.463 -5.737
518 HD1 TYR 79 1HD TYR 79 10.900 -1.654 -5.060
519 HD2 TYR 79 2HD TYR 79 6.624 -1.466 -5.344
520 HE1 TYR 79 1HE TYR 79 10.734 -3.883 -3.884
521 HE2 TYR 79 2HE TYR 79 6.472 -3.786 -4.468
522 HH TYR 79 HH TYR 79 7.776 -5.715 -4.004
523 H ALA 80 H ALA 80 6.798 1.046 -7.635
524 HA ALA 80 HA ALA 80 4.908 -1.030 -7.936
525 HB1 ALA 80 1HB ALA 80 3.343 0.700 -8.040
526 HB2 ALA 80 2HB ALA 80 4.687 1.442 -7.154
527 HB3 ALA 80 3HB ALA 80 4.459 1.811 -8.864
528 H GLU 81 H GLU 81 6.870 0.583 -10.374
529 HA GLU 81 HA GLU 81 5.128 -0.244 -12.582
530 HB3 GLU 81 2HB GLU 81 7.013 0.428 -14.015
531 HG3 GLU 81 2HG GLU 81 6.490 2.617 -11.976
532 H ARG 82 H ARG 82 8.208 -1.224 -11.081
533 HA ARG 82 HA ARG 82 8.763 -3.236 -13.025
534 HB3 ARG 82 2HB ARG 82 10.653 -3.833 -11.441
535 HG3 ARG 82 2HG ARG 82 11.255 -1.204 -10.896
536 HD3 ARG 82 2HD ARG 82 11.688 -2.645 -13.520
537 HE ARG 82 HE ARG 82 12.428 -0.027 -12.822
538 HH11 ARG 82 1HH1 ARG 82 13.891 -2.957 -14.088
539 HH12 ARG 82 2HH1 ARG 82 15.174 -2.166 -14.940
540 HH21 ARG 82 1HH2 ARG 82 14.194 1.097 -13.817
541 HH22 ARG 82 2HH2 ARG 82 15.394 0.235 -14.704
542 H ALA 83 H ALA 83 7.634 -3.374 -9.679
543 HA ALA 83 HA ALA 83 7.497 -6.198 -9.379
544 HB1 ALA 83 1HB ALA 83 5.787 -5.749 -7.651
545 HB2 ALA 83 2HB ALA 83 7.120 -4.584 -7.500
546 HB3 ALA 83 3HB ALA 83 5.587 -4.081 -8.243
547 H ALA 84 H ALA 84 5.110 -3.922 -10.638
548 HA ALA 84 HA ALA 84 3.073 -5.917 -11.209
549 HB1 ALA 84 1HB ALA 84 1.769 -3.998 -11.910
550 HB2 ALA 84 2HB ALA 84 2.599 -3.595 -10.391
551 HB3 ALA 84 3HB ALA 84 3.229 -2.990 -11.949
552 H ARG 85 H ARG 85 5.607 -6.260 -12.610
553 HA ARG 85 HA ARG 85 4.446 -6.531 -15.325
554 HB3 ARG 85 2HB ARG 85 7.225 -6.339 -15.688
555 HG3 ARG 85 2HG ARG 85 5.508 -3.884 -16.003
556 HD3 ARG 85 2HD ARG 85 7.450 -5.492 -17.726
557 HE ARG 85 HE ARG 85 7.042 -2.702 -18.322
558 HH11 ARG 85 1HH1 ARG 85 5.683 -5.976 -18.971
559 HH12 ARG 85 2HH1 ARG 85 4.600 -5.365 -20.169
560 HH21 ARG 85 1HH2 ARG 85 5.712 -2.096 -20.155
561 HH22 ARG 85 2HH2 ARG 85 5.127 -3.340 -21.237
562 H ILE 86 H ILE 86 6.389 -7.814 -12.786
563 HA ILE 86 HA ILE 86 6.514 -10.441 -14.229
564 HB ILE 86 HB ILE 86 8.228 -9.531 -11.894
565 HG13 ILE 86 2HG1 ILE 86 8.735 -9.417 -14.900
566 HG21 ILE 86 1HG2 ILE 86 8.558 -11.892 -13.816
567 HG22 ILE 86 2HG2 ILE 86 9.625 -11.473 -12.449
568 HG23 ILE 86 3HG2 ILE 86 7.993 -12.019 -12.146
569 HD11 ILE 86 3HD1 ILE 86 10.130 -7.422 -14.272
570 HD12 ILE 86 1HD1 ILE 86 8.438 -7.197 -13.842
571 HD13 ILE 86 2HD1 ILE 86 9.612 -7.627 -12.588
572 H ASP 87 H ASP 87 5.113 -8.721 -11.489
573 HA ASP 87 HA ASP 87 4.297 -11.022 -10.006
574 HB3 ASP 87 2HB ASP 87 2.284 -9.208 -9.640
575 HA PRO 88 HA PRO 88 1.075 -12.340 -12.871
576 HB3 PRO 88 2HB PRO 88 1.289 -14.434 -11.926
577 HG3 PRO 88 2HG PRO 88 1.721 -14.722 -9.605
578 HD3 PRO 88 2HD PRO 88 3.393 -13.233 -10.308
579 H ASP 89 H ASP 89 0.146 -11.272 -9.550
580 HA ASP 89 HA ASP 89 -2.178 -9.802 -10.510
581 HB3 ASP 89 2HB ASP 89 -3.324 -11.331 -8.479
582 H ILE 90 H ILE 90 -0.936 -8.105 -9.674
583 HA ILE 90 HA ILE 90 -0.789 -7.997 -6.718
584 HB ILE 90 HB ILE 90 1.377 -8.163 -7.735
585 HG13 ILE 90 2HG1 ILE 90 1.227 -7.141 -5.618
586 HG21 ILE 90 1HG2 ILE 90 0.981 -7.076 -9.902
587 HG22 ILE 90 2HG2 ILE 90 0.800 -5.499 -9.117
588 HG23 ILE 90 3HG2 ILE 90 2.365 -6.348 -9.103
589 HD11 ILE 90 3HD1 ILE 90 3.231 -5.542 -7.247
590 HD12 ILE 90 1HD1 ILE 90 3.263 -5.830 -5.522
591 HD13 ILE 90 2HD1 ILE 90 3.475 -7.183 -6.608
592 H TRP 91 H TRP 91 -1.647 -6.295 -5.694
593 HA TRP 91 HA TRP 91 -3.427 -4.522 -7.222
594 HB3 TRP 91 2HB TRP 91 -3.871 -3.820 -4.654
595 HD1 TRP 91 HD TRP 91 -3.556 -7.637 -4.923
596 HE1 TRP 91 1HE TRP 91 -5.844 -8.707 -4.943
597 HE3 TRP 91 3HE TRP 91 -6.374 -3.411 -4.831
598 HZ2 TRP 91 2HZ TRP 91 -8.624 -7.777 -5.564
599 HZ3 TRP 91 3HZ TRP 91 -8.851 -3.509 -5.165
600 HH2 TRP 91 HH TRP 91 -9.951 -5.684 -5.578
601 H VAL 92 H VAL 92 -2.972 -2.368 -7.530
602 HA VAL 92 HA VAL 92 -0.467 -1.174 -6.371
603 HB VAL 92 HB VAL 92 -1.965 -0.599 -8.943
604 HG11 VAL 92 1HG1 VAL 92 -0.204 1.112 -9.409
605 HG12 VAL 92 2HG1 VAL 92 -1.246 1.541 -8.045
606 HG13 VAL 92 3HG1 VAL 92 0.392 0.919 -7.743
607 HG21 VAL 92 3HG2 VAL 92 0.079 -1.062 -10.160
608 HG22 VAL 92 1HG2 VAL 92 0.979 -1.300 -8.649
609 HG23 VAL 92 2HG2 VAL 92 -0.272 -2.462 -9.139
610 H VAL 93 H VAL 93 -1.113 0.102 -4.631
611 HA VAL 93 HA VAL 93 -3.741 1.478 -4.758
612 HB VAL 93 HB VAL 93 -2.358 0.136 -2.403
613 HG11 VAL 93 1HG1 VAL 93 -4.932 1.755 -2.499
614 HG12 VAL 93 2HG1 VAL 93 -4.346 0.810 -1.105
615 HG13 VAL 93 3HG1 VAL 93 -3.415 2.193 -1.682
616 HG21 VAL 93 3HG2 VAL 93 -4.290 -1.319 -2.285
617 HG22 VAL 93 1HG2 VAL 93 -5.038 -0.511 -3.682
618 HG23 VAL 93 2HG2 VAL 93 -3.551 -1.473 -3.876
619 H GLU 94 H GLU 94 -3.258 3.557 -5.108
620 HA GLU 94 HA GLU 94 -0.606 4.575 -4.187
621 HB3 GLU 94 2HB GLU 94 -0.670 6.143 -6.018
622 HG3 GLU 94 2HG GLU 94 -1.147 4.842 -8.103
623 H ILE 95 H ILE 95 -0.855 5.745 -2.284
624 HA ILE 95 HA ILE 95 -3.355 7.326 -1.934
625 HB ILE 95 HB ILE 95 -1.403 6.572 0.259
626 HG13 ILE 95 2HG1 ILE 95 -2.850 4.771 1.003
627 HG21 ILE 95 1HG2 ILE 95 -4.303 7.480 0.316
628 HG22 ILE 95 2HG2 ILE 95 -3.328 7.029 1.731
629 HG23 ILE 95 3HG2 ILE 95 -2.880 8.422 0.754
630 HD11 ILE 95 3HD1 ILE 95 -4.490 3.708 -0.409
631 HD12 ILE 95 1HD1 ILE 95 -4.972 5.385 -0.191
632 HD13 ILE 95 2HD1 ILE 95 -4.197 4.866 -1.724
633 H GLU 96 H GLU 96 -3.097 9.519 -2.026
634 HA GLU 96 HA GLU 96 -0.376 10.659 -1.537
635 HB3 GLU 96 2HB GLU 96 -1.286 12.659 -2.714
636 HG3 GLU 96 2HG GLU 96 -1.111 10.374 -4.697
637 H ASP 97 H ASP 97 -0.490 10.973 0.629
638 HA ASP 97 HA ASP 97 -2.932 12.111 1.836
639 HB3 ASP 97 2HB ASP 97 -1.792 11.634 3.942
640 H ARG 98 H ARG 98 -1.895 13.499 3.860
641 HA ARG 98 HA ARG 98 -0.550 15.807 2.544
642 HB3 ARG 98 2HB ARG 98 -2.982 16.096 2.792
643 HG3 ARG 98 2HG ARG 98 -2.281 15.659 5.682
644 HD3 ARG 98 2HD ARG 98 -4.679 15.943 6.225
645 HE ARG 98 HE ARG 98 -4.094 18.563 5.242
646 HH11 ARG 98 1HH1 ARG 98 -2.948 16.135 7.669
647 HH12 ARG 98 2HH1 ARG 98 -2.369 17.350 8.753
648 HH21 ARG 98 1HH2 ARG 98 -3.099 20.150 6.761
649 HH22 ARG 98 2HH2 ARG 98 -2.419 19.553 8.233
650 H ASP 99 H ASP 99 -0.198 13.593 5.019
651 HA ASP 99 HA ASP 99 1.611 15.033 6.736
652 HB3 ASP 99 2HB ASP 99 -0.452 15.492 7.759
653 H GLY 100 H GLY 100 1.849 12.795 4.725
654 HA2 GLY 100 1HA GLY 100 2.815 10.673 4.562
655 HA3 GLY 100 2HA GLY 100 3.607 11.121 6.089
656 H ARG 101 H ARG 101 0.169 10.541 5.356
657 HA ARG 101 HA ARG 101 -0.208 8.748 7.613
658 HB3 ARG 101 2HB ARG 101 -2.496 8.777 5.858
659 HG3 ARG 101 2HG ARG 101 -3.137 10.816 7.412
660 HD3 ARG 101 2HD ARG 101 -3.965 8.390 7.435
661 HE ARG 101 HE ARG 101 -1.798 8.135 9.284
662 HH11 ARG 101 1HH1 ARG 101 -5.240 7.417 9.147
663 HH12 ARG 101 2HH1 ARG 101 -5.138 6.036 10.212
664 HH21 ARG 101 1HH2 ARG 101 -1.659 6.458 10.770
665 HH22 ARG 101 2HH2 ARG 101 -3.047 5.467 11.201
666 H HIS 102 H HIS 102 -1.986 7.016 6.335
667 HA HIS 102 HA HIS 102 -0.906 5.559 4.242
668 HB3 HIS 102 2HB HIS 102 0.819 4.608 5.393
669 HD1 HIS 102 1HD HIS 102 -1.597 3.572 8.339
670 HD2 HIS 102 2HD HIS 102 2.077 5.455 7.418
671 HE1 HIS 102 1HE HIS 102 -0.413 3.907 10.510
672 H PHE 103 H PHE 103 -3.032 5.774 7.020
673 HA PHE 103 HA PHE 103 -5.124 5.094 7.420
674 HB3 PHE 103 2HB PHE 103 -6.623 5.005 5.281
675 HD1 PHE 103 1HD PHE 103 -7.252 6.457 7.432
676 HD2 PHE 103 2HD PHE 103 -4.662 7.782 4.209
677 HE1 PHE 103 1HE PHE 103 -7.694 8.824 8.021
678 HE2 PHE 103 2HE PHE 103 -5.133 10.108 4.830
679 HZ PHE 103 HZ PHE 103 -6.649 10.651 6.724
680 H LEU 104 H LEU 104 -3.074 2.818 6.540
681 HA LEU 104 HA LEU 104 -4.731 0.554 6.026
682 HB3 LEU 104 2HB LEU 104 -2.744 -0.748 6.897
683 HG LEU 104 HG LEU 104 -2.173 1.599 5.049
684 HD11 LEU 104 1HD1 LEU 104 -0.315 -0.677 5.683
685 HD12 LEU 104 2HD1 LEU 104 -0.056 1.023 6.034
686 HD13 LEU 104 3HD1 LEU 104 -0.117 0.473 4.363
687 HD21 LEU 104 3HD2 LEU 104 -2.152 -1.215 4.077
688 HD22 LEU 104 1HD2 LEU 104 -2.749 0.286 3.322
689 HD23 LEU 104 2HD2 LEU 104 -3.735 -0.546 4.503
690 H THR 105 H THR 105 -4.894 -1.312 7.670
691 HA THR 105 HA THR 105 -6.167 -0.312 10.176
692 HB THR 105 HB THR 105 -7.642 -2.308 9.820
693 HG1 THR 105 1HG THR 105 -7.583 -3.233 7.745
694 HG21 THR 105 3HG2 THR 105 -7.532 -0.411 7.434
695 HG22 THR 105 1HG2 THR 105 -8.269 -0.017 9.015
696 HG23 THR 105 2HG2 THR 105 -8.940 -1.325 8.007
697 H GLU 106 H GLU 106 -3.295 -1.332 9.510
698 HA GLU 106 HA GLU 106 -3.023 -3.713 11.239
699 HB3 GLU 106 2HB GLU 106 -1.530 -4.333 9.069
700 HG3 GLU 106 2HG GLU 106 -4.558 -4.533 9.276
701 HA PRO 107 HA PRO 107 0.833 -1.805 12.421
702 HB3 PRO 107 2HB PRO 107 1.137 -3.731 13.704
703 HG3 PRO 107 2HG PRO 107 0.912 -5.928 12.770
704 HD3 PRO 107 2HD PRO 107 -1.146 -4.804 12.538
705 H VAL 108 H VAL 108 3.118 -1.355 11.663
706 HA VAL 108 HA VAL 108 3.527 -1.892 8.824
707 HB VAL 108 HB VAL 108 3.555 0.959 9.824
708 HG11 VAL 108 1HG1 VAL 108 3.790 -0.270 7.036
709 HG12 VAL 108 2HG1 VAL 108 3.791 1.466 7.418
710 HG13 VAL 108 3HG1 VAL 108 5.122 0.435 7.964
711 HG21 VAL 108 3HG2 VAL 108 1.577 1.349 8.364
712 HG22 VAL 108 1HG2 VAL 108 1.434 -0.407 8.105
713 HG23 VAL 108 2HG2 VAL 108 1.196 0.283 9.726
714 H GLU 109 H GLU 109 5.495 -2.519 8.610
715 HA GLU 109 HA GLU 109 7.493 -2.335 10.752
716 HB3 GLU 109 2HB GLU 109 8.568 -3.725 8.497
717 HG3 GLU 109 2HG GLU 109 7.098 -5.615 9.915
718 H SER 110 H SER 110 9.826 -2.350 9.416
719 HA SER 110 HA SER 110 10.144 0.382 8.313
720 HB3 SER 110 2HB SER 110 10.169 0.883 10.580
721 HG SER 110 HG SER 110 10.793 -0.374 12.161
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -10.751 -11.116 16.615
2 HA2 GLY 1 1HA GLY 1 -9.577 -10.255 14.715
3 HA3 GLY 1 2HA GLY 1 -10.136 -11.895 14.310
4 H MET 2 H MET 2 -10.117 -11.249 12.036
5 HA MET 2 HA MET 2 -12.698 -10.254 11.183
6 HB3 MET 2 2HB MET 2 -11.765 -8.082 11.178
7 HG3 MET 2 2HG MET 2 -9.217 -9.212 9.960
8 HE1 MET 2 3HE MET 2 -7.423 -7.726 8.844
9 HE2 MET 2 1HE MET 2 -7.065 -6.107 9.483
10 HE3 MET 2 2HE MET 2 -7.051 -7.525 10.564
11 H LEU 3 H LEU 3 -12.988 -10.691 8.837
12 HA LEU 3 HA LEU 3 -11.148 -12.818 7.881
13 HB3 LEU 3 2HB LEU 3 -14.136 -13.065 7.554
14 HG LEU 3 HG LEU 3 -13.716 -15.435 7.880
15 HD11 LEU 3 1HD1 LEU 3 -12.421 -16.001 5.890
16 HD12 LEU 3 2HD1 LEU 3 -11.705 -14.387 5.840
17 HD13 LEU 3 3HD1 LEU 3 -13.446 -14.604 5.575
18 HD21 LEU 3 3HD2 LEU 3 -11.601 -16.410 8.334
19 HD22 LEU 3 1HD2 LEU 3 -11.799 -15.084 9.497
20 HD23 LEU 3 2HD2 LEU 3 -10.734 -14.871 8.102
21 H LEU 4 H LEU 4 -10.792 -10.337 7.038
22 HA LEU 4 HA LEU 4 -11.799 -10.130 4.410
23 HB3 LEU 4 2HB LEU 4 -12.362 -8.337 5.259
24 HG LEU 4 HG LEU 4 -11.467 -8.444 7.387
25 HD11 LEU 4 1HD1 LEU 4 -8.765 -7.499 6.684
26 HD12 LEU 4 2HD1 LEU 4 -9.244 -9.094 6.013
27 HD13 LEU 4 3HD1 LEU 4 -9.294 -8.852 7.742
28 HD21 LEU 4 3HD2 LEU 4 -10.641 -5.891 5.970
29 HD22 LEU 4 1HD2 LEU 4 -10.764 -6.122 7.732
30 HD23 LEU 4 2HD2 LEU 4 -12.207 -6.271 6.720
31 H SER 5 H SER 5 -10.321 -9.179 2.680
32 HA SER 5 HA SER 5 -7.849 -10.719 2.464
33 HB3 SER 5 2HB SER 5 -8.656 -11.808 0.417
34 HG SER 5 HG SER 5 -9.313 -12.417 2.835
35 H THR 6 H THR 6 -7.097 -10.196 -0.117
36 HA THR 6 HA THR 6 -6.135 -7.748 0.333
37 HB THR 6 HB THR 6 -6.415 -8.979 -2.434
38 HG1 THR 6 1HG THR 6 -4.178 -9.626 -1.727
39 HG21 THR 6 3HG2 THR 6 -5.674 -6.620 -2.474
40 HG22 THR 6 1HG2 THR 6 -4.259 -7.661 -2.746
41 HG23 THR 6 2HG2 THR 6 -4.541 -6.938 -1.157
42 H ASP 7 H ASP 7 -8.786 -8.355 -1.981
43 HA ASP 7 HA ASP 7 -9.167 -5.639 -2.803
44 HB3 ASP 7 2HB ASP 7 -11.133 -7.956 -2.617
45 H ILE 8 H ILE 8 -10.520 -7.599 -0.170
46 HA ILE 8 HA ILE 8 -12.679 -5.928 0.551
47 HB ILE 8 HB ILE 8 -11.220 -7.753 2.396
48 HG13 ILE 8 2HG1 ILE 8 -12.777 -9.504 1.681
49 HG21 ILE 8 1HG2 ILE 8 -14.071 -6.736 2.246
50 HG22 ILE 8 2HG2 ILE 8 -13.560 -8.073 3.294
51 HG23 ILE 8 3HG2 ILE 8 -12.866 -6.470 3.521
52 HD11 ILE 8 3HD1 ILE 8 -13.134 -7.948 -0.889
53 HD12 ILE 8 1HD1 ILE 8 -13.592 -9.627 -0.578
54 HD13 ILE 8 2HD1 ILE 8 -14.415 -8.312 0.299
55 H TRP 9 H TRP 9 -9.247 -6.076 1.576
56 HA TRP 9 HA TRP 9 -9.394 -4.178 3.703
57 HB3 TRP 9 2HB TRP 9 -7.054 -4.017 3.546
58 HD1 TRP 9 HD TRP 9 -8.868 -6.439 4.649
59 HE1 TRP 9 1HE TRP 9 -7.689 -8.765 5.066
60 HE3 TRP 9 3HE TRP 9 -4.854 -5.778 1.742
61 HZ2 TRP 9 2HZ TRP 9 -5.417 -10.195 3.978
62 HZ3 TRP 9 3HZ TRP 9 -3.137 -7.622 1.398
63 HH2 TRP 9 HH TRP 9 -3.473 -9.812 2.461
64 H VAL 10 H VAL 10 -8.274 -3.841 0.261
65 HA VAL 10 HA VAL 10 -7.963 -1.072 0.120
66 HB VAL 10 HB VAL 10 -8.982 -2.931 -2.088
67 HG11 VAL 10 1HG1 VAL 10 -9.387 -0.533 -2.657
68 HG12 VAL 10 2HG1 VAL 10 -7.677 -0.174 -2.304
69 HG13 VAL 10 3HG1 VAL 10 -8.127 -1.243 -3.652
70 HG21 VAL 10 3HG2 VAL 10 -6.222 -2.175 -1.162
71 HG22 VAL 10 1HG2 VAL 10 -6.940 -3.767 -1.542
72 HG23 VAL 10 2HG2 VAL 10 -6.544 -2.677 -2.843
73 H ALA 11 H ALA 11 -10.958 -2.980 -0.336
74 HA ALA 11 HA ALA 11 -12.482 -0.876 -1.180
75 HB1 ALA 11 1HB ALA 11 -14.434 -2.347 -0.703
76 HB2 ALA 11 2HB ALA 11 -13.088 -3.262 -1.417
77 HB3 ALA 11 3HB ALA 11 -13.403 -3.365 0.330
78 H ALA 12 H ALA 12 -11.559 -1.497 2.111
79 HA ALA 12 HA ALA 12 -13.578 0.496 3.070
80 HB1 ALA 12 1HB ALA 12 -12.845 -0.186 5.346
81 HB2 ALA 12 2HB ALA 12 -13.560 -1.504 4.416
82 HB3 ALA 12 3HB ALA 12 -11.793 -1.419 4.627
83 H LEU 13 H LEU 13 -10.016 -0.132 3.122
84 HA LEU 13 HA LEU 13 -8.925 2.153 4.033
85 HB3 LEU 13 2HB LEU 13 -8.208 0.136 1.948
86 HG LEU 13 HG LEU 13 -7.159 2.249 1.098
87 HD11 LEU 13 1HD1 LEU 13 -5.381 3.294 2.454
88 HD12 LEU 13 2HD1 LEU 13 -5.789 2.259 3.834
89 HD13 LEU 13 3HD1 LEU 13 -6.936 3.487 3.252
90 HD21 LEU 13 3HD2 LEU 13 -5.352 0.172 2.395
91 HD22 LEU 13 1HD2 LEU 13 -4.848 1.305 1.122
92 HD23 LEU 13 2HD2 LEU 13 -6.092 0.076 0.801
93 H ILE 14 H ILE 14 -9.983 1.736 0.587
94 HA ILE 14 HA ILE 14 -9.437 4.417 -0.176
95 HB ILE 14 HB ILE 14 -11.353 2.252 -1.113
96 HG13 ILE 14 2HG1 ILE 14 -9.797 2.108 -3.056
97 HG21 ILE 14 1HG2 ILE 14 -11.021 5.020 -2.350
98 HG22 ILE 14 2HG2 ILE 14 -11.501 3.632 -3.326
99 HG23 ILE 14 3HG2 ILE 14 -12.514 4.162 -1.960
100 HD11 ILE 14 3HD1 ILE 14 -8.900 4.556 -2.743
101 HD12 ILE 14 1HD1 ILE 14 -7.857 3.810 -1.516
102 HD13 ILE 14 2HD1 ILE 14 -7.771 3.234 -3.181
103 H ARG 15 H ARG 15 -12.419 2.960 1.101
104 HA ARG 15 HA ARG 15 -13.920 5.367 0.797
105 HB3 ARG 15 2HB ARG 15 -14.665 2.898 1.006
106 HG3 ARG 15 2HG ARG 15 -15.429 4.056 3.627
107 HD3 ARG 15 2HD ARG 15 -15.934 1.390 2.203
108 HE ARG 15 HE ARG 15 -16.209 2.013 5.042
109 HH11 ARG 15 1HH1 ARG 15 -17.215 -0.308 2.496
110 HH12 ARG 15 2HH1 ARG 15 -17.890 -1.401 3.681
111 HH21 ARG 15 1HH2 ARG 15 -16.818 0.538 6.440
112 HH22 ARG 15 2HH2 ARG 15 -17.512 -0.995 6.048
113 H ARG 16 H ARG 16 -12.141 4.138 3.603
114 HA ARG 16 HA ARG 16 -12.916 6.384 5.282
115 HB3 ARG 16 2HB ARG 16 -12.336 4.408 6.380
116 HG3 ARG 16 2HG ARG 16 -9.389 4.525 5.575
117 HD3 ARG 16 2HD ARG 16 -9.859 3.055 7.416
118 HE ARG 16 HE ARG 16 -12.134 2.209 5.777
119 HH11 ARG 16 1HH1 ARG 16 -10.129 1.454 8.606
120 HH12 ARG 16 2HH1 ARG 16 -11.457 0.953 9.604
121 HH21 ARG 16 1HH2 ARG 16 -13.916 1.396 7.070
122 HH22 ARG 16 2HH2 ARG 16 -13.598 0.478 8.469
123 H ALA 17 H ALA 17 -10.096 5.754 3.188
124 HA ALA 17 HA ALA 17 -8.491 7.900 4.058
125 HB1 ALA 17 1HB ALA 17 -7.426 7.755 1.824
126 HB2 ALA 17 2HB ALA 17 -7.618 6.163 2.582
127 HB3 ALA 17 3HB ALA 17 -8.725 6.671 1.284
128 H GLU 18 H GLU 18 -10.769 7.794 1.283
129 HA GLU 18 HA GLU 18 -10.542 10.588 0.756
130 HB3 GLU 18 2HB GLU 18 -12.658 10.131 -0.583
131 HG3 GLU 18 2HG GLU 18 -10.908 8.026 -1.626
132 H LEU 19 H LEU 19 -12.974 8.772 2.825
133 HA LEU 19 HA LEU 19 -14.485 11.034 3.579
134 HB3 LEU 19 2HB LEU 19 -14.711 9.543 5.721
135 HG LEU 19 HG LEU 19 -15.502 8.441 3.013
136 HD11 LEU 19 1HD1 LEU 19 -15.332 6.655 4.764
137 HD12 LEU 19 2HD1 LEU 19 -16.982 6.932 4.215
138 HD13 LEU 19 3HD1 LEU 19 -16.450 7.582 5.784
139 HD21 LEU 19 3HD2 LEU 19 -16.985 10.042 5.128
140 HD22 LEU 19 1HD2 LEU 19 -17.793 9.223 3.786
141 HD23 LEU 19 2HD2 LEU 19 -16.639 10.538 3.468
142 H GLY 20 H GLY 20 -11.172 10.260 4.334
143 HA2 GLY 20 1HA GLY 20 -11.007 11.780 6.814
144 HA3 GLY 20 2HA GLY 20 -9.677 11.252 5.778
145 H GLY 21 H GLY 21 -10.832 12.417 3.317
146 HA2 GLY 21 1HA GLY 21 -11.067 14.662 2.435
147 HA3 GLY 21 2HA GLY 21 -10.051 15.273 3.747
148 H ALA 22 H ALA 22 -8.832 12.261 2.845
149 HA ALA 22 HA ALA 22 -6.583 13.339 1.349
150 HB1 ALA 22 1HB ALA 22 -5.841 10.971 1.372
151 HB2 ALA 22 2HB ALA 22 -6.300 11.515 2.990
152 HB3 ALA 22 3HB ALA 22 -7.394 10.480 2.032
153 H PHE 23 H PHE 23 -6.089 11.770 -0.687
154 HA PHE 23 HA PHE 23 -8.572 11.221 -2.224
155 HB3 PHE 23 2HB PHE 23 -5.970 11.585 -3.677
156 HD1 PHE 23 2HD PHE 23 -9.328 13.278 -3.802
157 HD2 PHE 23 1HD PHE 23 -6.500 10.693 -5.779
158 HE1 PHE 23 2HE PHE 23 -10.622 13.471 -5.908
159 HE2 PHE 23 1HE PHE 23 -7.804 10.886 -7.886
160 HZ PHE 23 HZ PHE 23 -9.847 12.293 -7.965
161 H ALA 24 H ALA 24 -8.425 9.072 -3.246
162 HA ALA 24 HA ALA 24 -6.034 7.511 -2.860
163 HB1 ALA 24 1HB ALA 24 -8.568 6.716 -1.349
164 HB2 ALA 24 2HB ALA 24 -7.019 5.836 -1.398
165 HB3 ALA 24 3HB ALA 24 -7.107 7.393 -0.585
166 H THR 25 H THR 25 -6.169 5.592 -4.135
167 HA THR 25 HA THR 25 -8.587 4.589 -5.049
168 HB THR 25 HB THR 25 -8.438 6.557 -6.665
169 HG1 THR 25 1HG THR 25 -8.976 4.992 -8.426
170 HG21 THR 25 3HG2 THR 25 -6.447 4.756 -8.086
171 HG22 THR 25 1HG2 THR 25 -5.978 6.225 -7.183
172 HG23 THR 25 2HG2 THR 25 -7.035 6.346 -8.597
173 H VAL 26 H VAL 26 -8.309 2.809 -6.605
174 HA VAL 26 HA VAL 26 -5.787 1.321 -6.153
175 HB VAL 26 HB VAL 26 -7.740 0.147 -5.502
176 HG11 VAL 26 1HG1 VAL 26 -9.548 1.213 -6.718
177 HG12 VAL 26 2HG1 VAL 26 -8.924 0.611 -8.267
178 HG13 VAL 26 3HG1 VAL 26 -9.544 -0.518 -7.052
179 HG21 VAL 26 3HG2 VAL 26 -7.588 -1.871 -6.861
180 HG22 VAL 26 1HG2 VAL 26 -6.816 -0.974 -8.169
181 HG23 VAL 26 2HG2 VAL 26 -5.987 -1.160 -6.598
182 H ALA 27 H ALA 27 -4.335 1.106 -7.781
183 HA ALA 27 HA ALA 27 -5.019 2.015 -10.538
184 HB1 ALA 27 1HB ALA 27 -2.214 1.395 -9.638
185 HB2 ALA 27 2HB ALA 27 -2.794 2.578 -10.806
186 HB3 ALA 27 3HB ALA 27 -2.963 2.878 -9.057
187 H ARG 28 H ARG 28 -4.318 -0.818 -8.657
188 HA ARG 28 HA ARG 28 -4.162 -2.496 -11.104
189 HB3 ARG 28 2HB ARG 28 -2.323 -3.394 -8.980
190 HG3 ARG 28 2HG ARG 28 -2.636 -4.214 -11.500
191 HD3 ARG 28 2HD ARG 28 -0.294 -2.369 -11.935
192 HE ARG 28 HE ARG 28 -0.960 -3.815 -13.764
193 HH11 ARG 28 1HH1 ARG 28 -3.273 -1.134 -13.198
194 HH12 ARG 28 2HH1 ARG 28 -3.940 -1.269 -14.782
195 HH21 ARG 28 1HH2 ARG 28 -1.999 -4.092 -15.725
196 HH22 ARG 28 2HH2 ARG 28 -3.323 -3.069 -16.190
197 H LYS 29 H LYS 29 -5.146 -4.524 -10.810
198 HA LYS 29 HA LYS 29 -6.443 -5.027 -8.176
199 HB3 LYS 29 2HB LYS 29 -7.712 -4.950 -10.943
200 HG3 LYS 29 2HG LYS 29 -8.764 -6.105 -8.327
201 HD3 LYS 29 2HD LYS 29 -10.852 -6.490 -9.653
202 HE3 LYS 29 2HE LYS 29 -10.149 -3.577 -9.145
203 HZ1 LYS 29 3HZ LYS 29 -12.456 -3.270 -8.867
204 HZ2 LYS 29 1HZ LYS 29 -12.787 -4.883 -8.990
205 HZ3 LYS 29 2HZ LYS 29 -12.299 -4.072 -10.291
206 H GLY 30 H GLY 30 -5.063 -6.651 -7.624
207 HA2 GLY 30 1HA GLY 30 -4.414 -8.820 -9.466
208 HA3 GLY 30 2HA GLY 30 -3.934 -8.597 -7.755
209 H ASP 31 H ASP 31 -4.490 -10.918 -7.574
210 HA ASP 31 HA ASP 31 -7.170 -11.819 -7.702
211 HB3 ASP 31 2HB ASP 31 -5.656 -12.920 -5.450
212 H ALA 32 H ALA 32 -8.925 -11.361 -6.332
213 HA ALA 32 HA ALA 32 -8.687 -9.295 -4.339
214 HB1 ALA 32 1HB ALA 32 -10.943 -11.274 -4.926
215 HB2 ALA 32 2HB ALA 32 -11.074 -9.862 -3.874
216 HB3 ALA 32 3HB ALA 32 -10.759 -9.641 -5.604
217 H ARG 33 H ARG 33 -8.308 -12.699 -4.229
218 HA ARG 33 HA ARG 33 -8.529 -12.837 -1.274
219 HB3 ARG 33 2HB ARG 33 -8.795 -15.265 -1.729
220 HG3 ARG 33 2HG ARG 33 -10.833 -13.933 -3.507
221 HD3 ARG 33 2HD ARG 33 -11.141 -16.233 -2.580
222 HE ARG 33 HE ARG 33 -10.505 -16.444 -0.391
223 HH11 ARG 33 1HH1 ARG 33 -12.547 -13.468 -0.599
224 HH12 ARG 33 2HH1 ARG 33 -12.583 -13.357 1.145
225 HH21 ARG 33 1HH2 ARG 33 -10.247 -15.821 1.844
226 HH22 ARG 33 2HH2 ARG 33 -11.350 -14.615 2.461
227 H ALA 34 H ALA 34 -6.105 -12.975 -3.707
228 HA ALA 34 HA ALA 34 -4.131 -14.013 -1.816
229 HB1 ALA 34 1HB ALA 34 -3.429 -15.799 -3.461
230 HB2 ALA 34 2HB ALA 34 -5.033 -16.078 -2.753
231 HB3 ALA 34 3HB ALA 34 -4.879 -15.436 -4.394
232 H GLY 35 H GLY 35 -4.829 -11.627 -3.953
233 HA2 GLY 35 1HA GLY 35 -2.328 -11.598 -5.432
234 HA3 GLY 35 2HA GLY 35 -3.602 -10.368 -5.435
235 H ALA 36 H ALA 36 -0.599 -10.305 -4.926
236 HA ALA 36 HA ALA 36 -0.343 -9.293 -2.190
237 HB1 ALA 36 1HB ALA 36 1.504 -9.168 -4.610
238 HB2 ALA 36 2HB ALA 36 1.924 -8.635 -2.961
239 HB3 ALA 36 3HB ALA 36 1.590 -10.344 -3.267
240 H VAL 37 H VAL 37 0.383 -6.908 -1.921
241 HA VAL 37 HA VAL 37 -0.731 -5.056 -3.871
242 HB VAL 37 HB VAL 37 -2.516 -5.238 -2.373
243 HG11 VAL 37 1HG1 VAL 37 -0.983 -6.294 -0.261
244 HG12 VAL 37 2HG1 VAL 37 -2.748 -5.958 -0.321
245 HG13 VAL 37 3HG1 VAL 37 -2.065 -7.036 -1.504
246 HG21 VAL 37 3HG2 VAL 37 -2.792 -3.377 -1.094
247 HG22 VAL 37 1HG2 VAL 37 -1.032 -3.127 -1.036
248 HG23 VAL 37 2HG2 VAL 37 -1.900 -2.997 -2.560
249 H LEU 38 H LEU 38 0.304 -3.159 -3.987
250 HA LEU 38 HA LEU 38 2.362 -2.389 -2.045
251 HB3 LEU 38 2HB LEU 38 2.691 -0.647 -3.971
252 HG LEU 38 HG LEU 38 4.481 -2.033 -3.915
253 HD11 LEU 38 1HD1 LEU 38 4.576 -4.451 -4.300
254 HD12 LEU 38 2HD1 LEU 38 2.815 -4.464 -4.290
255 HD13 LEU 38 3HD1 LEU 38 3.715 -3.915 -2.850
256 HD21 LEU 38 3HD2 LEU 38 3.141 -2.903 -6.468
257 HD22 LEU 38 1HD2 LEU 38 4.892 -2.858 -6.162
258 HD23 LEU 38 2HD2 LEU 38 3.945 -1.349 -6.207
259 H VAL 39 H VAL 39 1.659 -0.916 -0.606
260 HA VAL 39 HA VAL 39 -0.589 0.894 -1.333
261 HB VAL 39 HB VAL 39 0.459 0.199 1.445
262 HG11 VAL 39 1HG1 VAL 39 -0.224 2.559 1.335
263 HG12 VAL 39 2HG1 VAL 39 -1.727 2.106 0.506
264 HG13 VAL 39 3HG1 VAL 39 -1.473 1.650 2.198
265 HG21 VAL 39 3HG2 VAL 39 -1.031 -1.538 0.394
266 HG22 VAL 39 1HG2 VAL 39 -1.655 -0.843 1.862
267 HG23 VAL 39 2HG2 VAL 39 -2.315 -0.324 0.285
268 H LYS 40 H LYS 40 0.204 2.960 -1.824
269 HA LYS 40 HA LYS 40 2.940 3.596 -0.793
270 HB3 LYS 40 2HB LYS 40 1.812 3.968 -3.572
271 HG3 LYS 40 2HG LYS 40 4.069 5.527 -2.259
272 HD3 LYS 40 2HD LYS 40 3.619 5.061 -5.220
273 HE3 LYS 40 2HE LYS 40 5.240 7.157 -3.689
274 HZ1 LYS 40 3HZ LYS 40 6.201 7.775 -5.677
275 HZ2 LYS 40 1HZ LYS 40 4.991 7.148 -6.595
276 HZ3 LYS 40 2HZ LYS 40 6.154 6.175 -5.938
277 H ALA 41 H ALA 41 3.151 5.793 -0.149
278 HA ALA 41 HA ALA 41 0.653 7.340 0.220
279 HB1 ALA 41 1HB ALA 41 1.355 7.789 2.558
280 HB2 ALA 41 2HB ALA 41 1.029 6.066 2.304
281 HB3 ALA 41 3HB ALA 41 2.709 6.665 2.377
282 H VAL 42 H VAL 42 1.051 9.593 0.158
283 HA VAL 42 HA VAL 42 3.826 10.398 -0.563
284 HB VAL 42 HB VAL 42 1.350 11.115 -2.160
285 HG11 VAL 42 1HG1 VAL 42 3.001 11.948 -3.742
286 HG12 VAL 42 2HG1 VAL 42 3.297 12.693 -2.164
287 HG13 VAL 42 3HG1 VAL 42 4.335 11.354 -2.716
288 HG21 VAL 42 3HG2 VAL 42 1.693 8.738 -2.562
289 HG22 VAL 42 1HG2 VAL 42 2.319 9.630 -3.937
290 HG23 VAL 42 2HG2 VAL 42 3.453 8.975 -2.736
291 H ASP 43 H ASP 43 4.338 11.637 1.042
292 HA ASP 43 HA ASP 43 2.520 13.067 2.767
293 HB3 ASP 43 2HB ASP 43 5.527 13.088 2.659
294 H ARG 44 H ARG 44 1.614 14.780 1.590
295 HA ARG 44 HA ARG 44 3.126 16.466 -0.156
296 HB3 ARG 44 2HB ARG 44 1.168 18.027 -0.013
297 HG3 ARG 44 2HG ARG 44 -0.657 16.199 -0.474
298 HD3 ARG 44 2HD ARG 44 0.882 15.388 -2.548
299 HE ARG 44 HE ARG 44 0.252 18.217 -2.701
300 HH11 ARG 44 1HH1 ARG 44 -1.055 14.902 -2.776
301 HH12 ARG 44 2HH1 ARG 44 -2.474 15.314 -3.685
302 HH21 ARG 44 1HH2 ARG 44 -1.781 18.817 -3.729
303 HH22 ARG 44 2HH2 ARG 44 -2.848 17.598 -4.310
304 H ARG 45 H ARG 45 2.885 16.547 3.344
305 HA ARG 45 HA ARG 45 3.664 19.328 3.641
306 HB3 ARG 45 2HB ARG 45 4.180 18.346 6.041
307 HG3 ARG 45 2HG ARG 45 1.373 18.282 4.864
308 HD3 ARG 45 2HD ARG 45 1.710 17.164 7.141
309 HE ARG 45 HE ARG 45 2.676 19.900 7.762
310 HH11 ARG 45 1HH1 ARG 45 1.927 16.615 9.248
311 HH12 ARG 45 2HH1 ARG 45 3.129 16.909 10.429
312 HH21 ARG 45 1HH2 ARG 45 4.117 20.095 9.489
313 HH22 ARG 45 2HH2 ARG 45 4.195 18.807 10.666
314 H GLU 46 H GLU 46 5.430 16.171 4.195
315 HA GLU 46 HA GLU 46 7.929 17.696 4.304
316 HB3 GLU 46 2HB GLU 46 8.976 15.492 4.603
317 HG3 GLU 46 2HG GLU 46 6.506 15.642 6.357
318 H GLY 47 H GLY 47 6.075 16.468 1.708
319 HA2 GLY 47 1HA GLY 47 6.477 16.570 -0.568
320 HA3 GLY 47 2HA GLY 47 8.094 17.203 -0.265
321 H THR 48 H THR 48 7.106 14.240 1.471
322 HA THR 48 HA THR 48 9.187 12.781 -0.044
323 HB THR 48 HB THR 48 9.037 11.279 2.009
324 HG1 THR 48 1HG THR 48 7.923 11.985 3.739
325 HG21 THR 48 3HG2 THR 48 10.809 13.081 1.767
326 HG22 THR 48 1HG2 THR 48 10.362 12.766 3.449
327 HG23 THR 48 2HG2 THR 48 9.728 14.198 2.613
328 H ALA 49 H ALA 49 8.631 10.312 -0.125
329 HA ALA 49 HA ALA 49 5.776 9.730 -0.138
330 HB1 ALA 49 1HB ALA 49 7.663 8.856 -2.380
331 HB2 ALA 49 2HB ALA 49 5.991 8.308 -2.144
332 HB3 ALA 49 3HB ALA 49 6.324 10.003 -2.552
333 H ARG 50 H ARG 50 5.502 7.379 0.147
334 HA ARG 50 HA ARG 50 7.839 5.835 1.108
335 HB3 ARG 50 2HB ARG 50 6.276 5.020 3.060
336 HG3 ARG 50 2HG ARG 50 6.867 7.149 4.434
337 HD3 ARG 50 2HD ARG 50 8.742 5.248 3.049
338 HE ARG 50 HE ARG 50 9.730 7.586 4.150
339 HH11 ARG 50 1HH1 ARG 50 9.942 4.122 4.637
340 HH12 ARG 50 2HH1 ARG 50 11.493 4.077 5.396
341 HH21 ARG 50 1HH2 ARG 50 11.956 7.597 4.705
342 HH22 ARG 50 2HH2 ARG 50 12.770 6.144 5.243
343 H LEU 51 H LEU 51 7.435 3.557 0.955
344 HA LEU 51 HA LEU 51 5.034 2.862 -0.668
345 HB3 LEU 51 2HB LEU 51 7.748 1.937 -1.590
346 HG LEU 51 HG LEU 51 5.230 2.725 -3.104
347 HD11 LEU 51 1HD1 LEU 51 7.080 3.057 -4.452
348 HD12 LEU 51 2HD1 LEU 51 6.425 1.503 -4.985
349 HD13 LEU 51 3HD1 LEU 51 7.851 1.545 -3.927
350 HD21 LEU 51 3HD2 LEU 51 4.634 0.639 -2.046
351 HD22 LEU 51 1HD2 LEU 51 6.205 -0.098 -2.584
352 HD23 LEU 51 2HD2 LEU 51 4.936 0.381 -3.745
353 H PHE 52 H PHE 52 4.116 1.071 0.078
354 HA PHE 52 HA PHE 52 5.726 -0.640 1.889
355 HB3 PHE 52 2HB PHE 52 3.679 -0.922 3.196
356 HD1 PHE 52 1HD PHE 52 3.084 2.564 2.043
357 HD2 PHE 52 2HD PHE 52 5.203 0.046 4.818
358 HE1 PHE 52 1HE PHE 52 3.717 4.556 3.362
359 HE2 PHE 52 2HE PHE 52 5.828 2.043 6.158
360 HZ PHE 52 HZ PHE 52 5.075 4.314 5.431
361 H SER 53 H SER 53 5.038 -2.908 1.898
362 HA SER 53 HA SER 53 3.160 -3.742 -0.202
363 HB3 SER 53 2HB SER 53 6.019 -4.703 0.126
364 HG SER 53 HG SER 53 4.023 -5.588 -1.713
365 H GLU 54 H GLU 54 2.215 -5.831 0.301
366 HA GLU 54 HA GLU 54 2.051 -6.343 3.126
367 HB3 GLU 54 2HB GLU 54 0.137 -6.806 1.699
368 HG3 GLU 54 2HG GLU 54 2.008 -8.822 0.419
369 H ALA 55 H ALA 55 2.651 -8.350 4.192
370 HA ALA 55 HA ALA 55 4.514 -10.167 2.901
371 HB1 ALA 55 1HB ALA 55 5.292 -8.379 5.251
372 HB2 ALA 55 2HB ALA 55 6.144 -9.886 4.851
373 HB3 ALA 55 3HB ALA 55 6.121 -8.563 3.683
374 H THR 56 H THR 56 5.079 -11.910 4.639
375 HA THR 56 HA THR 56 3.063 -12.097 6.740
376 HB THR 56 HB THR 56 3.235 -14.736 5.766
377 HG1 THR 56 1HG THR 56 3.150 -14.696 3.725
378 HG21 THR 56 3HG2 THR 56 1.325 -13.598 6.859
379 HG22 THR 56 1HG2 THR 56 0.829 -14.487 5.417
380 HG23 THR 56 2HG2 THR 56 0.986 -12.724 5.380
381 H ARG 57 H ARG 57 3.817 -12.975 8.540
382 HA ARG 57 HA ARG 57 6.682 -13.610 8.762
383 HB3 ARG 57 2HB ARG 57 6.125 -13.893 11.158
384 HG3 ARG 57 2HG ARG 57 4.879 -11.360 10.077
385 HD3 ARG 57 2HD ARG 57 6.088 -12.215 12.662
386 HE ARG 57 HE ARG 57 7.412 -10.240 11.412
387 HH11 ARG 57 1HH1 ARG 57 5.017 -9.841 14.052
388 HH12 ARG 57 2HH1 ARG 57 5.941 -8.552 14.764
389 HH21 ARG 57 1HH2 ARG 57 8.468 -8.595 12.290
390 HH22 ARG 57 2HH2 ARG 57 7.935 -7.768 13.732
391 H GLY 58 H GLY 58 7.152 -15.612 10.143
392 HA2 GLY 58 1HA GLY 58 6.759 -17.827 8.567
393 HA3 GLY 58 2HA GLY 58 7.320 -17.867 10.238
394 H ASP 59 H ASP 59 4.459 -16.670 11.013
395 HA ASP 59 HA ASP 59 3.161 -19.344 11.063
396 HB3 ASP 59 2HB ASP 59 2.146 -16.916 12.464
397 H GLY 60 H GLY 60 3.218 -16.971 8.840
398 HA2 GLY 60 1HA GLY 60 1.805 -16.428 7.108
399 HA3 GLY 60 2HA GLY 60 0.522 -17.411 7.815
400 H GLU 61 H GLU 61 2.195 -15.082 9.890
401 HA GLU 61 HA GLU 61 -0.275 -13.591 10.299
402 HB3 GLU 61 2HB GLU 61 2.380 -12.808 11.520
403 HG3 GLU 61 2HG GLU 61 -0.029 -11.907 12.073
404 H ARG 62 H ARG 62 -0.773 -11.959 8.814
405 HA ARG 62 HA ARG 62 1.151 -11.041 6.945
406 HB3 ARG 62 2HB ARG 62 -1.622 -10.038 7.653
407 HG3 ARG 62 2HG ARG 62 0.053 -8.966 5.631
408 HD3 ARG 62 2HD ARG 62 -1.407 -9.331 3.645
409 HE ARG 62 HE ARG 62 0.731 -10.934 4.417
410 HH11 ARG 62 1HH1 ARG 62 -1.634 -10.772 1.847
411 HH12 ARG 62 2HH1 ARG 62 -1.245 -12.254 1.148
412 HH21 ARG 62 1HH2 ARG 62 1.614 -12.738 3.089
413 HH22 ARG 62 2HH2 ARG 62 0.831 -12.958 1.555
414 H PHE 63 H PHE 63 1.864 -8.760 6.572
415 HA PHE 63 HA PHE 63 1.224 -6.774 8.533
416 HB3 PHE 63 2HB PHE 63 3.073 -7.645 9.741
417 HD1 PHE 63 1HD PHE 63 3.829 -9.834 8.550
418 HD2 PHE 63 2HD PHE 63 5.720 -5.980 7.917
419 HE1 PHE 63 1HE PHE 63 5.969 -10.923 7.885
420 HE2 PHE 63 2HE PHE 63 7.841 -7.109 7.442
421 HZ PHE 63 HZ PHE 63 7.963 -9.574 7.374
422 H TRP 64 H TRP 64 2.563 -4.656 7.774
423 HA TRP 64 HA TRP 64 2.889 -4.661 4.818
424 HB3 TRP 64 2HB TRP 64 2.423 -2.227 4.950
425 HD1 TRP 64 HD TRP 64 -0.404 -3.331 7.141
426 HE1 TRP 64 1HE TRP 64 -2.514 -3.716 5.763
427 HE3 TRP 64 3HE TRP 64 1.715 -3.245 2.526
428 HZ2 TRP 64 2HZ TRP 64 -3.137 -4.273 2.961
429 HZ3 TRP 64 3HZ TRP 64 0.400 -3.816 0.527
430 HH2 TRP 64 HH TRP 64 -2.049 -4.322 0.699
431 H MET 65 H MET 65 4.934 -4.785 4.465
432 HA MET 65 HA MET 65 6.952 -3.373 6.170
433 HB3 MET 65 2HB MET 65 7.237 -5.806 5.787
434 HG3 MET 65 2HG MET 65 6.998 -5.077 2.956
435 HE1 MET 65 3HE MET 65 10.154 -6.408 5.160
436 HE2 MET 65 1HE MET 65 9.039 -7.718 4.743
437 HE3 MET 65 2HE MET 65 10.669 -7.665 4.021
438 H GLN 66 H GLN 66 8.997 -2.725 4.707
439 HA GLN 66 HA GLN 66 8.092 -1.238 2.319
440 HB3 GLN 66 2HB GLN 66 9.758 0.446 2.896
441 HG3 GLN 66 2HG GLN 66 7.710 0.136 5.079
442 HE21 GLN 66 1HE2 GLN 66 8.955 1.498 6.454
443 HE22 GLN 66 2HE2 GLN 66 9.073 3.196 6.263
444 HA PRO 67 HA PRO 67 11.499 -4.087 1.052
445 HB3 PRO 67 2HB PRO 67 10.030 -5.451 -0.036
446 HG3 PRO 67 2HG PRO 67 7.976 -4.628 -0.914
447 HD3 PRO 67 2HD PRO 67 8.070 -4.000 1.383
448 H VAL 68 H VAL 68 10.733 -0.875 0.154
449 HA VAL 68 HA VAL 68 12.912 -0.712 -1.838
450 HB VAL 68 HB VAL 68 11.164 1.534 -0.781
451 HG11 VAL 68 1HG1 VAL 68 12.065 2.730 -2.753
452 HG12 VAL 68 2HG1 VAL 68 13.404 2.198 -1.743
453 HG13 VAL 68 3HG1 VAL 68 13.007 1.306 -3.222
454 HG21 VAL 68 3HG2 VAL 68 9.705 -0.005 -1.957
455 HG22 VAL 68 1HG2 VAL 68 10.067 1.325 -3.055
456 HG23 VAL 68 2HG2 VAL 68 10.912 -0.220 -3.244
457 H ARG 69 H ARG 69 14.867 -0.790 -0.929
458 HA ARG 69 HA ARG 69 15.328 0.004 1.832
459 HB3 ARG 69 2HB ARG 69 17.344 -0.946 -0.228
460 HG3 ARG 69 2HG ARG 69 17.708 -2.540 1.936
461 HD3 ARG 69 2HD ARG 69 19.504 -1.137 2.746
462 HE ARG 69 HE ARG 69 19.543 -2.207 0.348
463 HH11 ARG 69 1HH1 ARG 69 20.732 1.001 1.341
464 HH12 ARG 69 2HH1 ARG 69 21.927 1.047 0.074
465 HH21 ARG 69 1HH2 ARG 69 21.092 -2.046 -1.366
466 HH22 ARG 69 2HH2 ARG 69 22.198 -0.696 -1.322
467 H SER 70 H SER 70 14.442 2.192 0.398
468 HA SER 70 HA SER 70 16.528 4.161 0.615
469 HB3 SER 70 2HB SER 70 15.253 3.658 -2.116
470 HG SER 70 HG SER 70 16.787 5.086 -2.819
471 H THR 71 H THR 71 15.478 6.363 0.257
472 HA THR 71 HA THR 71 12.519 6.330 0.290
473 HB THR 71 HB THR 71 13.521 6.641 2.487
474 HG1 THR 71 1HG THR 71 12.014 8.886 1.814
475 HG21 THR 71 3HG2 THR 71 14.206 9.274 1.248
476 HG22 THR 71 1HG2 THR 71 15.347 8.032 1.790
477 HG23 THR 71 2HG2 THR 71 14.334 8.884 2.991
478 H PHE 72 H PHE 72 14.890 6.812 -1.778
479 HA PHE 72 HA PHE 72 14.296 9.461 -2.797
480 HB3 PHE 72 2HB PHE 72 15.174 8.194 -4.988
481 HD1 PHE 72 2HD PHE 72 15.619 10.794 -4.014
482 HD2 PHE 72 1HD PHE 72 18.061 7.265 -3.489
483 HE1 PHE 72 2HE PHE 72 17.623 12.214 -3.809
484 HE2 PHE 72 1HE PHE 72 20.061 8.688 -3.316
485 HZ PHE 72 HZ PHE 72 19.855 11.182 -3.545
486 H GLU 73 H GLU 73 12.571 10.061 -3.939
487 HA GLU 73 HA GLU 73 10.356 8.499 -4.429
488 HB3 GLU 73 2HB GLU 73 10.745 10.639 -6.433
489 HG3 GLU 73 2HG GLU 73 8.749 11.525 -5.248
490 HA PRO 74 HA PRO 74 11.670 7.274 -8.804
491 HB3 PRO 74 2HB PRO 74 13.248 8.517 -9.858
492 HG3 PRO 74 2HG PRO 74 14.929 9.662 -8.616
493 HD3 PRO 74 2HD PRO 74 12.864 10.203 -7.570
494 H ASP 75 H ASP 75 13.552 6.440 -5.927
495 HA ASP 75 HA ASP 75 14.088 3.675 -6.834
496 HB3 ASP 75 2HB ASP 75 14.528 3.330 -4.334
497 H LEU 76 H LEU 76 11.608 5.551 -5.186
498 HA LEU 76 HA LEU 76 10.154 3.243 -4.167
499 HB3 LEU 76 2HB LEU 76 8.398 4.981 -3.627
500 HG LEU 76 HG LEU 76 11.247 5.429 -2.641
501 HD11 LEU 76 1HD1 LEU 76 10.284 6.883 -0.868
502 HD12 LEU 76 2HD1 LEU 76 8.714 6.827 -1.698
503 HD13 LEU 76 3HD1 LEU 76 10.120 7.592 -2.468
504 HD21 LEU 76 3HD2 LEU 76 10.612 4.369 -0.653
505 HD22 LEU 76 1HD2 LEU 76 9.906 3.357 -1.914
506 HD23 LEU 76 2HD2 LEU 76 8.889 4.492 -1.006
507 H ASP 77 H ASP 77 9.392 5.740 -6.691
508 HA ASP 77 HA ASP 77 7.107 4.494 -7.777
509 HB3 ASP 77 2HB ASP 77 9.235 6.193 -9.127
510 H ALA 78 H ALA 78 10.538 3.957 -8.753
511 HA ALA 78 HA ALA 78 10.005 2.108 -10.819
512 HB1 ALA 78 1HB ALA 78 12.346 1.360 -10.445
513 HB2 ALA 78 2HB ALA 78 12.190 3.126 -10.492
514 HB3 ALA 78 3HB ALA 78 12.388 2.278 -8.931
515 H TYR 79 H TYR 79 9.767 1.559 -7.320
516 HA TYR 79 HA TYR 79 10.045 -1.333 -7.435
517 HB3 TYR 79 2HB TYR 79 8.271 0.182 -5.516
518 HD1 TYR 79 1HD TYR 79 11.160 -2.060 -4.818
519 HD2 TYR 79 2HD TYR 79 6.872 -1.702 -5.094
520 HE1 TYR 79 1HE TYR 79 10.926 -4.348 -3.920
521 HE2 TYR 79 2HE TYR 79 6.637 -4.025 -4.246
522 HH TYR 79 HH TYR 79 7.795 -6.033 -3.924
523 H ALA 80 H ALA 80 7.293 0.973 -7.531
524 HA ALA 80 HA ALA 80 5.328 -1.111 -7.838
525 HB1 ALA 80 1HB ALA 80 5.125 1.894 -8.325
526 HB2 ALA 80 2HB ALA 80 3.756 0.767 -8.193
527 HB3 ALA 80 3HB ALA 80 4.791 1.057 -6.786
528 H GLU 81 H GLU 81 7.446 0.442 -10.113
529 HA GLU 81 HA GLU 81 5.842 -0.469 -12.419
530 HB3 GLU 81 2HB GLU 81 7.837 0.086 -13.704
531 HG3 GLU 81 2HG GLU 81 7.169 2.455 -11.945
532 H ARG 82 H ARG 82 8.880 -1.402 -10.721
533 HA ARG 82 HA ARG 82 9.425 -3.586 -12.367
534 HB3 ARG 82 2HB ARG 82 10.088 -3.150 -9.423
535 HG3 ARG 82 2HG ARG 82 11.618 -5.016 -11.296
536 HD3 ARG 82 2HD ARG 82 11.624 -4.321 -8.368
537 HE ARG 82 HE ARG 82 11.242 -6.922 -8.871
538 HH11 ARG 82 1HH1 ARG 82 14.168 -5.243 -7.739
539 HH12 ARG 82 2HH1 ARG 82 14.772 -6.678 -6.942
540 HH21 ARG 82 1HH2 ARG 82 12.072 -8.725 -7.830
541 HH22 ARG 82 2HH2 ARG 82 13.602 -8.617 -6.991
542 H ALA 83 H ALA 83 7.663 -3.621 -9.218
543 HA ALA 83 HA ALA 83 7.486 -6.413 -9.037
544 HB1 ALA 83 1HB ALA 83 5.503 -4.335 -8.008
545 HB2 ALA 83 2HB ALA 83 5.702 -5.998 -7.410
546 HB3 ALA 83 3HB ALA 83 6.999 -4.810 -7.188
547 H ALA 84 H ALA 84 5.374 -4.112 -10.715
548 HA ALA 84 HA ALA 84 3.345 -5.961 -11.408
549 HB1 ALA 84 1HB ALA 84 2.804 -3.654 -11.401
550 HB2 ALA 84 2HB ALA 84 4.152 -3.237 -12.496
551 HB3 ALA 84 3HB ALA 84 2.736 -4.129 -13.090
552 H ARG 85 H ARG 85 6.542 -5.971 -12.617
553 HA ARG 85 HA ARG 85 5.700 -7.092 -15.219
554 HB3 ARG 85 2HB ARG 85 7.458 -5.206 -14.964
555 HG3 ARG 85 2HG ARG 85 9.198 -7.674 -15.059
556 HD3 ARG 85 2HD ARG 85 10.341 -5.193 -13.975
557 HE ARG 85 HE ARG 85 11.054 -7.227 -15.977
558 HH11 ARG 85 1HH1 ARG 85 12.167 -4.078 -14.672
559 HH12 ARG 85 2HH1 ARG 85 13.830 -4.421 -15.051
560 HH21 ARG 85 1HH2 ARG 85 13.271 -7.375 -16.755
561 HH22 ARG 85 2HH2 ARG 85 14.398 -6.182 -16.216
562 H ILE 86 H ILE 86 6.095 -8.266 -12.228
563 HA ILE 86 HA ILE 86 6.725 -10.976 -13.312
564 HB ILE 86 HB ILE 86 7.131 -10.291 -10.385
565 HG13 ILE 86 2HG1 ILE 86 9.077 -9.725 -12.612
566 HG21 ILE 86 1HG2 ILE 86 6.975 -12.671 -11.072
567 HG22 ILE 86 2HG2 ILE 86 8.329 -12.438 -12.193
568 HG23 ILE 86 3HG2 ILE 86 8.567 -12.278 -10.440
569 HD11 ILE 86 3HD1 ILE 86 8.710 -8.539 -9.820
570 HD12 ILE 86 1HD1 ILE 86 9.834 -7.954 -11.067
571 HD13 ILE 86 2HD1 ILE 86 8.080 -7.848 -11.305
572 H ASP 87 H ASP 87 4.781 -8.880 -11.177
573 HA ASP 87 HA ASP 87 2.977 -11.113 -10.519
574 HB3 ASP 87 2HB ASP 87 2.369 -9.676 -8.620
575 HA PRO 88 HA PRO 88 0.371 -8.548 -13.386
576 HB3 PRO 88 2HB PRO 88 0.397 -10.194 -14.980
577 HG3 PRO 88 2HG PRO 88 0.693 -12.485 -14.386
578 HD3 PRO 88 2HD PRO 88 2.521 -11.341 -13.453
579 H ASP 89 H ASP 89 -0.059 -10.620 -10.679
580 HA ASP 89 HA ASP 89 -2.853 -9.830 -10.199
581 HB3 ASP 89 2HB ASP 89 -2.553 -11.809 -8.459
582 H ILE 90 H ILE 90 -0.473 -8.004 -9.668
583 HA ILE 90 HA ILE 90 -0.571 -7.898 -6.726
584 HB ILE 90 HB ILE 90 1.491 -7.651 -8.072
585 HG13 ILE 90 2HG1 ILE 90 1.260 -7.067 -5.694
586 HG21 ILE 90 1HG2 ILE 90 0.605 -4.793 -8.602
587 HG22 ILE 90 2HG2 ILE 90 2.131 -5.556 -9.092
588 HG23 ILE 90 3HG2 ILE 90 0.614 -6.077 -9.831
589 HD11 ILE 90 3HD1 ILE 90 3.236 -5.145 -6.920
590 HD12 ILE 90 1HD1 ILE 90 3.395 -6.179 -5.489
591 HD13 ILE 90 2HD1 ILE 90 3.445 -6.909 -7.097
592 H TRP 91 H TRP 91 -1.388 -6.078 -5.603
593 HA TRP 91 HA TRP 91 -3.281 -4.366 -7.127
594 HB3 TRP 91 2HB TRP 91 -3.909 -3.856 -4.593
595 HD1 TRP 91 HD TRP 91 -3.612 -7.642 -5.248
596 HE1 TRP 91 1HE TRP 91 -5.907 -8.667 -5.405
597 HE3 TRP 91 3HE TRP 91 -6.327 -3.343 -5.199
598 HZ2 TRP 91 2HZ TRP 91 -8.654 -7.674 -5.943
599 HZ3 TRP 91 3HZ TRP 91 -8.813 -3.390 -5.493
600 HH2 TRP 91 HH TRP 91 -9.957 -5.555 -5.915
601 H VAL 92 H VAL 92 -3.152 -2.034 -6.817
602 HA VAL 92 HA VAL 92 -0.656 -0.954 -5.614
603 HB VAL 92 HB VAL 92 -1.696 -0.369 -8.392
604 HG11 VAL 92 1HG1 VAL 92 0.609 1.030 -7.017
605 HG12 VAL 92 2HG1 VAL 92 0.096 1.204 -8.717
606 HG13 VAL 92 3HG1 VAL 92 -0.964 1.752 -7.410
607 HG21 VAL 92 3HG2 VAL 92 1.048 -1.413 -7.541
608 HG22 VAL 92 1HG2 VAL 92 -0.232 -2.410 -8.253
609 HG23 VAL 92 2HG2 VAL 92 0.487 -1.121 -9.214
610 H VAL 93 H VAL 93 -1.276 0.574 -4.226
611 HA VAL 93 HA VAL 93 -4.012 1.716 -4.395
612 HB VAL 93 HB VAL 93 -2.693 0.291 -2.038
613 HG11 VAL 93 1HG1 VAL 93 -4.332 1.938 -1.309
614 HG12 VAL 93 2HG1 VAL 93 -5.538 1.303 -2.455
615 HG13 VAL 93 3HG1 VAL 93 -4.982 0.309 -1.095
616 HG21 VAL 93 3HG2 VAL 93 -4.904 -0.748 -3.867
617 HG22 VAL 93 1HG2 VAL 93 -3.253 -1.406 -3.732
618 HG23 VAL 93 2HG2 VAL 93 -4.333 -1.512 -2.364
619 H GLU 94 H GLU 94 -3.389 3.827 -4.778
620 HA GLU 94 HA GLU 94 -0.995 4.959 -3.381
621 HB3 GLU 94 2HB GLU 94 -1.245 6.762 -5.068
622 HG3 GLU 94 2HG GLU 94 -0.986 5.553 -7.195
623 H ILE 95 H ILE 95 -1.362 6.426 -1.650
624 HA ILE 95 HA ILE 95 -4.032 7.680 -1.478
625 HB ILE 95 HB ILE 95 -2.314 6.785 0.900
626 HG13 ILE 95 2HG1 ILE 95 -4.946 5.664 -0.183
627 HG21 ILE 95 1HG2 ILE 95 -3.563 8.812 1.480
628 HG22 ILE 95 2HG2 ILE 95 -5.068 8.121 0.845
629 HG23 ILE 95 3HG2 ILE 95 -4.306 7.435 2.289
630 HD11 ILE 95 3HD1 ILE 95 -3.757 3.480 0.376
631 HD12 ILE 95 1HD1 ILE 95 -3.164 4.393 -1.017
632 HD13 ILE 95 2HD1 ILE 95 -2.263 4.448 0.516
633 H GLU 96 H GLU 96 -3.993 9.804 -1.386
634 HA GLU 96 HA GLU 96 -1.378 11.201 -1.267
635 HB3 GLU 96 2HB GLU 96 -2.962 12.966 -2.391
636 HG3 GLU 96 2HG GLU 96 -1.309 12.125 -3.812
637 H ASP 97 H ASP 97 -1.026 12.378 0.503
638 HA ASP 97 HA ASP 97 -3.218 13.794 1.816
639 HB3 ASP 97 2HB ASP 97 -1.673 11.744 3.436
640 H ARG 98 H ARG 98 -2.567 15.330 3.364
641 HA ARG 98 HA ARG 98 -0.088 16.661 3.219
642 HB3 ARG 98 2HB ARG 98 -1.889 17.779 4.064
643 HG3 ARG 98 2HG ARG 98 -1.890 15.719 6.253
644 HD3 ARG 98 2HD ARG 98 -2.144 17.882 7.321
645 HE ARG 98 HE ARG 98 -2.826 19.368 5.616
646 HH11 ARG 98 1HH1 ARG 98 -5.589 17.370 6.754
647 HH12 ARG 98 2HH1 ARG 98 -6.698 18.145 5.671
648 HH21 ARG 98 1HH2 ARG 98 -4.405 20.457 4.364
649 HH22 ARG 98 2HH2 ARG 98 -6.066 20.014 4.440
650 H ASP 99 H ASP 99 -0.845 13.910 5.377
651 HA ASP 99 HA ASP 99 1.882 14.340 6.482
652 HB3 ASP 99 2HB ASP 99 -0.202 12.926 8.085
653 H GLY 100 H GLY 100 1.676 12.727 4.209
654 HA2 GLY 100 1HA GLY 100 2.175 10.678 3.301
655 HA3 GLY 100 2HA GLY 100 3.240 10.568 4.706
656 H ARG 101 H ARG 101 -0.302 10.564 4.821
657 HA ARG 101 HA ARG 101 -0.026 8.192 6.484
658 HB3 ARG 101 2HB ARG 101 -1.272 10.224 7.189
659 HG3 ARG 101 2HG ARG 101 -3.466 8.822 5.621
660 HD3 ARG 101 2HD ARG 101 -4.236 9.802 7.737
661 HE ARG 101 HE ARG 101 -2.777 12.158 6.679
662 HH11 ARG 101 1HH1 ARG 101 -4.883 11.095 9.349
663 HH12 ARG 101 2HH1 ARG 101 -5.227 12.744 9.811
664 HH21 ARG 101 1HH2 ARG 101 -2.836 14.091 7.560
665 HH22 ARG 101 2HH2 ARG 101 -3.688 14.484 9.027
666 H HIS 102 H HIS 102 -1.132 6.263 6.271
667 HA HIS 102 HA HIS 102 -2.021 5.631 3.488
668 HB3 HIS 102 2HB HIS 102 -0.130 4.443 3.554
669 HD1 HIS 102 1HD HIS 102 -0.890 3.286 7.232
670 HD2 HIS 102 2HD HIS 102 1.985 5.218 4.803
671 HE1 HIS 102 1HE HIS 102 1.162 3.621 8.667
672 H PHE 103 H PHE 103 -3.282 5.938 6.611
673 HA PHE 103 HA PHE 103 -5.238 5.332 7.552
674 HB3 PHE 103 2HB PHE 103 -7.091 4.775 5.775
675 HD1 PHE 103 2HD PHE 103 -4.969 7.433 4.377
676 HD2 PHE 103 1HD PHE 103 -8.163 6.515 7.100
677 HE1 PHE 103 2HE PHE 103 -5.676 9.793 4.329
678 HE2 PHE 103 1HE PHE 103 -8.833 8.910 7.121
679 HZ PHE 103 HZ PHE 103 -7.576 10.560 5.724
680 H LEU 104 H LEU 104 -3.313 2.937 6.542
681 HA LEU 104 HA LEU 104 -4.969 0.629 6.376
682 HB3 LEU 104 2HB LEU 104 -2.851 -0.616 6.811
683 HG LEU 104 HG LEU 104 -2.571 1.617 4.795
684 HD11 LEU 104 1HD1 LEU 104 -0.341 0.898 5.553
685 HD12 LEU 104 2HD1 LEU 104 -0.627 0.348 3.895
686 HD13 LEU 104 3HD1 LEU 104 -0.764 -0.780 5.258
687 HD21 LEU 104 3HD2 LEU 104 -3.036 -1.346 4.340
688 HD22 LEU 104 1HD2 LEU 104 -3.149 -0.009 3.168
689 HD23 LEU 104 2HD2 LEU 104 -4.355 -0.156 4.437
690 H THR 105 H THR 105 -5.808 -0.689 7.901
691 HA THR 105 HA THR 105 -5.835 0.176 10.654
692 HB THR 105 HB THR 105 -7.799 -0.663 9.528
693 HG1 THR 105 1HG THR 105 -7.321 -2.724 11.354
694 HG21 THR 105 3HG2 THR 105 -6.463 -3.386 9.345
695 HG22 THR 105 1HG2 THR 105 -6.845 -2.317 7.976
696 HG23 THR 105 2HG2 THR 105 -8.140 -3.007 8.950
697 H GLU 106 H GLU 106 -4.005 -2.195 8.856
698 HA GLU 106 HA GLU 106 -3.302 -4.021 10.917
699 HB3 GLU 106 2HB GLU 106 -1.671 -4.734 8.999
700 HG3 GLU 106 2HG GLU 106 -3.554 -5.104 7.332
701 HA PRO 107 HA PRO 107 0.658 -2.293 12.452
702 HB3 PRO 107 2HB PRO 107 1.288 -4.270 13.410
703 HG3 PRO 107 2HG PRO 107 0.579 -6.360 12.508
704 HD3 PRO 107 2HD PRO 107 -1.340 -4.991 12.694
705 H VAL 108 H VAL 108 2.862 -1.729 11.671
706 HA VAL 108 HA VAL 108 3.390 -1.920 8.798
707 HB VAL 108 HB VAL 108 3.269 0.739 10.247
708 HG11 VAL 108 1HG1 VAL 108 5.075 0.721 8.576
709 HG12 VAL 108 2HG1 VAL 108 3.946 0.105 7.344
710 HG13 VAL 108 3HG1 VAL 108 3.757 1.737 8.026
711 HG21 VAL 108 3HG2 VAL 108 0.993 0.027 9.673
712 HG22 VAL 108 1HG2 VAL 108 1.499 1.387 8.683
713 HG23 VAL 108 2HG2 VAL 108 1.517 -0.234 7.983
714 H GLU 109 H GLU 109 5.545 -2.574 8.718
715 HA GLU 109 HA GLU 109 7.280 -2.446 11.018
716 HB3 GLU 109 2HB GLU 109 8.400 -3.316 8.429
717 HG3 GLU 109 2HG GLU 109 8.160 -5.569 9.619
718 H SER 110 H SER 110 9.663 -2.082 10.064
719 HA SER 110 HA SER 110 9.872 0.765 9.525
720 HB3 SER 110 2HB SER 110 12.168 0.435 10.273
721 HG SER 110 HG SER 110 10.706 -1.607 11.648
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -6.256 -17.183 11.190
2 HA2 GLY 1 1HA GLY 1 -8.433 -17.093 12.309
3 HA3 GLY 1 2HA GLY 1 -7.529 -15.586 12.569
4 H MET 2 H MET 2 -7.987 -13.757 11.028
5 HA MET 2 HA MET 2 -10.691 -13.388 10.281
6 HB3 MET 2 2HB MET 2 -9.468 -11.414 10.530
7 HG3 MET 2 2HG MET 2 -7.519 -10.822 9.059
8 HE1 MET 2 3HE MET 2 -5.363 -10.255 9.965
9 HE2 MET 2 1HE MET 2 -4.401 -11.197 11.105
10 HE3 MET 2 2HE MET 2 -4.698 -11.835 9.474
11 H LEU 3 H LEU 3 -11.592 -13.287 8.128
12 HA LEU 3 HA LEU 3 -10.312 -15.079 6.128
13 HB3 LEU 3 2HB LEU 3 -13.282 -15.255 6.622
14 HG LEU 3 HG LEU 3 -13.004 -17.593 6.182
15 HD11 LEU 3 1HD1 LEU 3 -12.113 -17.718 3.940
16 HD12 LEU 3 2HD1 LEU 3 -11.308 -16.142 4.120
17 HD13 LEU 3 3HD1 LEU 3 -13.093 -16.256 4.145
18 HD21 LEU 3 3HD2 LEU 3 -9.992 -17.159 6.084
19 HD22 LEU 3 1HD2 LEU 3 -10.859 -18.678 5.820
20 HD23 LEU 3 2HD2 LEU 3 -10.909 -17.922 7.417
21 H LEU 4 H LEU 4 -9.989 -12.526 5.864
22 HA LEU 4 HA LEU 4 -12.086 -11.120 4.364
23 HB3 LEU 4 2HB LEU 4 -9.934 -9.530 4.150
24 HG LEU 4 HG LEU 4 -10.189 -8.804 6.607
25 HD11 LEU 4 1HD1 LEU 4 -12.585 -8.784 4.756
26 HD12 LEU 4 2HD1 LEU 4 -11.200 -7.667 4.693
27 HD13 LEU 4 3HD1 LEU 4 -12.294 -7.650 6.087
28 HD21 LEU 4 3HD2 LEU 4 -12.696 -10.527 6.534
29 HD22 LEU 4 1HD2 LEU 4 -12.179 -9.422 7.811
30 HD23 LEU 4 2HD2 LEU 4 -11.258 -10.895 7.501
31 H SER 5 H SER 5 -11.210 -9.914 2.206
32 HA SER 5 HA SER 5 -9.479 -11.759 0.637
33 HB3 SER 5 2HB SER 5 -10.759 -11.693 -1.235
34 HG SER 5 HG SER 5 -12.619 -11.298 0.847
35 H THR 6 H THR 6 -8.292 -10.539 -1.167
36 HA THR 6 HA THR 6 -6.986 -8.290 -0.333
37 HB THR 6 HB THR 6 -7.535 -9.113 -3.198
38 HG1 THR 6 1HG THR 6 -5.207 -9.973 -2.304
39 HG21 THR 6 3HG2 THR 6 -5.292 -8.138 -3.570
40 HG22 THR 6 1HG2 THR 6 -5.228 -7.675 -1.861
41 HG23 THR 6 2HG2 THR 6 -6.413 -6.916 -2.951
42 H ASP 7 H ASP 7 -9.683 -8.362 -2.726
43 HA ASP 7 HA ASP 7 -9.825 -5.569 -3.128
44 HB3 ASP 7 2HB ASP 7 -11.979 -7.672 -3.353
45 H ILE 8 H ILE 8 -11.152 -7.555 -0.527
46 HA ILE 8 HA ILE 8 -13.151 -5.771 0.413
47 HB ILE 8 HB ILE 8 -11.667 -7.823 2.030
48 HG13 ILE 8 2HG1 ILE 8 -13.310 -9.365 1.469
49 HG21 ILE 8 1HG2 ILE 8 -12.801 -6.440 3.524
50 HG22 ILE 8 2HG2 ILE 8 -14.199 -6.227 2.443
51 HG23 ILE 8 3HG2 ILE 8 -13.931 -7.777 3.262
52 HD11 ILE 8 3HD1 ILE 8 -15.352 -8.055 1.289
53 HD12 ILE 8 1HD1 ILE 8 -14.755 -7.340 -0.233
54 HD13 ILE 8 2HD1 ILE 8 -15.104 -9.077 -0.127
55 H TRP 9 H TRP 9 -9.660 -6.214 1.256
56 HA TRP 9 HA TRP 9 -9.742 -4.236 3.388
57 HB3 TRP 9 2HB TRP 9 -7.318 -4.265 3.269
58 HD1 TRP 9 HD TRP 9 -9.130 -5.814 5.202
59 HE1 TRP 9 1HE TRP 9 -8.451 -8.125 6.078
60 HE3 TRP 9 3HE TRP 9 -6.188 -7.230 1.334
61 HZ2 TRP 9 2HZ TRP 9 -6.998 -10.456 5.041
62 HZ3 TRP 9 3HZ TRP 9 -5.280 -9.573 1.193
63 HH2 TRP 9 HH TRP 9 -5.751 -11.187 3.026
64 H VAL 10 H VAL 10 -8.720 -4.208 -0.077
65 HA VAL 10 HA VAL 10 -7.898 -1.482 -0.119
66 HB VAL 10 HB VAL 10 -9.105 -3.191 -2.348
67 HG11 VAL 10 1HG1 VAL 10 -7.472 -0.607 -2.500
68 HG12 VAL 10 2HG1 VAL 10 -7.928 -1.630 -3.880
69 HG13 VAL 10 3HG1 VAL 10 -9.179 -0.800 -2.958
70 HG21 VAL 10 3HG2 VAL 10 -7.040 -4.191 -1.405
71 HG22 VAL 10 1HG2 VAL 10 -6.724 -3.534 -3.002
72 HG23 VAL 10 2HG2 VAL 10 -6.196 -2.641 -1.558
73 H ALA 11 H ALA 11 -11.142 -2.975 -0.670
74 HA ALA 11 HA ALA 11 -12.503 -0.613 -1.186
75 HB1 ALA 11 1HB ALA 11 -13.538 -3.151 0.198
76 HB2 ALA 11 2HB ALA 11 -14.518 -1.954 -0.669
77 HB3 ALA 11 3HB ALA 11 -13.354 -2.965 -1.553
78 H ALA 12 H ALA 12 -11.487 -1.946 1.900
79 HA ALA 12 HA ALA 12 -13.167 -0.140 3.497
80 HB1 ALA 12 1HB ALA 12 -12.644 -1.990 4.808
81 HB2 ALA 12 2HB ALA 12 -11.031 -2.211 4.095
82 HB3 ALA 12 3HB ALA 12 -11.318 -0.929 5.275
83 H LEU 13 H LEU 13 -9.689 -0.514 2.878
84 HA LEU 13 HA LEU 13 -8.580 1.676 4.079
85 HB3 LEU 13 2HB LEU 13 -7.862 0.011 1.685
86 HG LEU 13 HG LEU 13 -6.835 2.209 1.212
87 HD11 LEU 13 1HD1 LEU 13 -5.087 3.102 2.730
88 HD12 LEU 13 2HD1 LEU 13 -5.485 1.869 3.940
89 HD13 LEU 13 3HD1 LEU 13 -6.657 3.135 3.530
90 HD21 LEU 13 3HD2 LEU 13 -4.878 0.111 2.262
91 HD22 LEU 13 1HD2 LEU 13 -4.522 1.364 1.055
92 HD23 LEU 13 2HD2 LEU 13 -5.673 0.067 0.680
93 H ILE 14 H ILE 14 -9.670 1.551 0.632
94 HA ILE 14 HA ILE 14 -9.067 4.251 0.064
95 HB ILE 14 HB ILE 14 -11.062 2.251 -1.079
96 HG13 ILE 14 2HG1 ILE 14 -9.459 2.174 -2.963
97 HG21 ILE 14 1HG2 ILE 14 -11.212 3.721 -3.097
98 HG22 ILE 14 2HG2 ILE 14 -12.052 4.344 -1.677
99 HG23 ILE 14 3HG2 ILE 14 -10.504 5.047 -2.145
100 HD11 ILE 14 3HD1 ILE 14 -7.331 3.211 -2.901
101 HD12 ILE 14 1HD1 ILE 14 -8.385 4.509 -2.309
102 HD13 ILE 14 2HD1 ILE 14 -7.414 3.545 -1.178
103 H ARG 15 H ARG 15 -12.113 2.853 1.224
104 HA ARG 15 HA ARG 15 -13.543 5.328 1.232
105 HB3 ARG 15 2HB ARG 15 -14.757 4.187 3.316
106 HG3 ARG 15 2HG ARG 15 -15.149 2.561 0.846
107 HD3 ARG 15 2HD ARG 15 -16.755 2.465 2.747
108 HE ARG 15 HE ARG 15 -17.240 5.358 2.108
109 HH11 ARG 15 1HH1 ARG 15 -17.873 2.792 4.475
110 HH12 ARG 15 2HH1 ARG 15 -17.771 3.837 5.841
111 HH21 ARG 15 1HH2 ARG 15 -17.348 6.755 3.863
112 HH22 ARG 15 2HH2 ARG 15 -17.467 6.174 5.502
113 H ARG 16 H ARG 16 -11.753 3.748 3.889
114 HA ARG 16 HA ARG 16 -12.391 5.837 5.746
115 HB3 ARG 16 2HB ARG 16 -12.018 3.677 6.540
116 HG3 ARG 16 2HG ARG 16 -9.046 3.730 5.952
117 HD3 ARG 16 2HD ARG 16 -10.198 1.111 6.032
118 HE ARG 16 HE ARG 16 -8.146 1.094 7.006
119 HH11 ARG 16 1HH1 ARG 16 -10.258 3.207 8.962
120 HH12 ARG 16 2HH1 ARG 16 -9.035 3.563 10.138
121 HH21 ARG 16 1HH2 ARG 16 -6.598 1.650 8.397
122 HH22 ARG 16 2HH2 ARG 16 -6.806 2.603 9.836
123 H ALA 17 H ALA 17 -9.724 5.385 3.602
124 HA ALA 17 HA ALA 17 -8.051 7.526 4.565
125 HB1 ALA 17 1HB ALA 17 -8.297 6.283 1.793
126 HB2 ALA 17 2HB ALA 17 -6.951 7.301 2.364
127 HB3 ALA 17 3HB ALA 17 -7.214 5.701 3.079
128 H GLU 18 H GLU 18 -10.322 7.352 1.753
129 HA GLU 18 HA GLU 18 -10.243 10.040 0.957
130 HB3 GLU 18 2HB GLU 18 -12.725 9.511 0.409
131 HG3 GLU 18 2HG GLU 18 -10.671 7.630 -0.828
132 H LEU 19 H LEU 19 -12.308 8.439 3.403
133 HA LEU 19 HA LEU 19 -13.870 10.579 4.330
134 HB3 LEU 19 2HB LEU 19 -12.690 8.110 5.604
135 HG LEU 19 HG LEU 19 -13.938 9.672 7.280
136 HD11 LEU 19 1HD1 LEU 19 -16.328 8.467 5.804
137 HD12 LEU 19 2HD1 LEU 19 -15.836 10.160 5.681
138 HD13 LEU 19 3HD1 LEU 19 -16.363 9.512 7.243
139 HD21 LEU 19 3HD2 LEU 19 -14.911 7.648 8.305
140 HD22 LEU 19 1HD2 LEU 19 -13.295 7.341 7.660
141 HD23 LEU 19 2HD2 LEU 19 -14.706 6.788 6.752
142 H GLY 20 H GLY 20 -10.494 9.823 4.950
143 HA2 GLY 20 1HA GLY 20 -10.243 11.487 7.356
144 HA3 GLY 20 2HA GLY 20 -8.946 10.753 6.396
145 H GLY 21 H GLY 21 -10.365 12.007 3.899
146 HA2 GLY 21 1HA GLY 21 -10.168 14.064 2.769
147 HA3 GLY 21 2HA GLY 21 -9.373 14.783 4.167
148 H ALA 22 H ALA 22 -8.391 11.572 3.000
149 HA ALA 22 HA ALA 22 -5.959 12.658 1.702
150 HB1 ALA 22 1HB ALA 22 -5.358 10.317 1.378
151 HB2 ALA 22 2HB ALA 22 -5.770 10.551 3.090
152 HB3 ALA 22 3HB ALA 22 -6.934 9.779 1.988
153 H PHE 23 H PHE 23 -5.707 11.773 -0.565
154 HA PHE 23 HA PHE 23 -8.273 11.425 -2.052
155 HB3 PHE 23 2HB PHE 23 -5.576 12.336 -3.132
156 HD1 PHE 23 1HD PHE 23 -9.108 13.280 -3.893
157 HD2 PHE 23 2HD PHE 23 -5.540 11.300 -5.301
158 HE1 PHE 23 1HE PHE 23 -9.993 13.322 -6.196
159 HE2 PHE 23 2HE PHE 23 -6.449 11.330 -7.602
160 HZ PHE 23 HZ PHE 23 -8.622 12.430 -8.073
161 H ALA 24 H ALA 24 -8.431 9.180 -1.744
162 HA ALA 24 HA ALA 24 -5.963 7.557 -2.223
163 HB1 ALA 24 1HB ALA 24 -6.875 7.388 0.056
164 HB2 ALA 24 2HB ALA 24 -8.441 6.861 -0.608
165 HB3 ALA 24 3HB ALA 24 -6.991 5.862 -0.830
166 H THR 25 H THR 25 -6.157 5.822 -3.726
167 HA THR 25 HA THR 25 -8.708 5.009 -4.603
168 HB THR 25 HB THR 25 -8.420 7.136 -5.939
169 HG1 THR 25 1HG THR 25 -9.599 6.267 -7.389
170 HG21 THR 25 3HG2 THR 25 -6.000 6.736 -6.497
171 HG22 THR 25 1HG2 THR 25 -7.024 7.120 -7.875
172 HG23 THR 25 2HG2 THR 25 -6.527 5.432 -7.608
173 H VAL 26 H VAL 26 -8.483 3.327 -6.336
174 HA VAL 26 HA VAL 26 -5.986 1.778 -6.073
175 HB VAL 26 HB VAL 26 -7.838 0.559 -5.237
176 HG11 VAL 26 1HG1 VAL 26 -9.874 -0.008 -6.463
177 HG12 VAL 26 2HG1 VAL 26 -9.778 1.720 -6.157
178 HG13 VAL 26 3HG1 VAL 26 -9.415 1.094 -7.782
179 HG21 VAL 26 3HG2 VAL 26 -7.915 -1.373 -6.775
180 HG22 VAL 26 1HG2 VAL 26 -7.258 -0.393 -8.075
181 HG23 VAL 26 2HG2 VAL 26 -6.270 -0.718 -6.631
182 H ALA 27 H ALA 27 -4.793 1.680 -7.905
183 HA ALA 27 HA ALA 27 -5.976 2.692 -10.470
184 HB1 ALA 27 1HB ALA 27 -4.251 4.159 -9.590
185 HB2 ALA 27 2HB ALA 27 -3.120 2.801 -9.419
186 HB3 ALA 27 3HB ALA 27 -3.647 3.329 -11.034
187 H ARG 28 H ARG 28 -4.919 -0.165 -8.935
188 HA ARG 28 HA ARG 28 -4.650 -1.510 -11.540
189 HB3 ARG 28 2HB ARG 28 -2.604 -2.047 -9.424
190 HG3 ARG 28 2HG ARG 28 -2.574 -2.462 -12.427
191 HD3 ARG 28 2HD ARG 28 -0.621 -3.454 -10.291
192 HE ARG 28 HE ARG 28 0.341 -3.078 -12.976
193 HH11 ARG 28 1HH1 ARG 28 -1.425 -5.495 -11.024
194 HH12 ARG 28 2HH1 ARG 28 -1.528 -6.605 -12.361
195 HH21 ARG 28 1HH2 ARG 28 0.541 -4.637 -14.491
196 HH22 ARG 28 2HH2 ARG 28 -0.195 -6.198 -14.328
197 H LYS 29 H LYS 29 -5.535 -3.522 -11.481
198 HA LYS 29 HA LYS 29 -6.768 -4.425 -8.917
199 HB3 LYS 29 2HB LYS 29 -7.676 -4.508 -11.816
200 HG3 LYS 29 2HG LYS 29 -8.920 -5.891 -9.399
201 HD3 LYS 29 2HD LYS 29 -10.837 -6.295 -11.068
202 HE3 LYS 29 2HE LYS 29 -11.830 -3.966 -10.857
203 HZ1 LYS 29 3HZ LYS 29 -12.111 -5.365 -9.021
204 HZ2 LYS 29 1HZ LYS 29 -11.646 -3.922 -8.391
205 HZ3 LYS 29 2HZ LYS 29 -10.557 -5.124 -8.468
206 H GLY 30 H GLY 30 -5.421 -5.971 -8.157
207 HA2 GLY 30 1HA GLY 30 -4.448 -8.121 -9.938
208 HA3 GLY 30 2HA GLY 30 -4.123 -7.922 -8.202
209 H ASP 31 H ASP 31 -4.822 -10.171 -8.102
210 HA ASP 31 HA ASP 31 -7.458 -11.097 -8.656
211 HB3 ASP 31 2HB ASP 31 -6.444 -12.495 -6.378
212 H ALA 32 H ALA 32 -9.386 -10.594 -7.582
213 HA ALA 32 HA ALA 32 -9.367 -8.914 -5.250
214 HB1 ALA 32 1HB ALA 32 -11.815 -9.380 -5.213
215 HB2 ALA 32 2HB ALA 32 -11.229 -8.845 -6.799
216 HB3 ALA 32 3HB ALA 32 -11.580 -10.566 -6.518
217 H ARG 33 H ARG 33 -9.390 -12.433 -5.592
218 HA ARG 33 HA ARG 33 -9.975 -12.830 -2.764
219 HB3 ARG 33 2HB ARG 33 -8.842 -15.192 -3.644
220 HG3 ARG 33 2HG ARG 33 -11.711 -14.635 -4.328
221 HD3 ARG 33 2HD ARG 33 -10.511 -16.867 -2.656
222 HE ARG 33 HE ARG 33 -13.095 -16.478 -4.078
223 HH11 ARG 33 1HH1 ARG 33 -11.249 -18.523 -1.797
224 HH12 ARG 33 2HH1 ARG 33 -12.642 -19.429 -1.316
225 HH21 ARG 33 1HH2 ARG 33 -14.845 -17.577 -3.408
226 HH22 ARG 33 2HH2 ARG 33 -14.765 -18.997 -2.413
227 H ALA 34 H ALA 34 -7.010 -12.889 -4.759
228 HA ALA 34 HA ALA 34 -5.408 -13.394 -2.302
229 HB1 ALA 34 1HB ALA 34 -4.355 -15.270 -3.471
230 HB2 ALA 34 2HB ALA 34 -6.105 -15.512 -3.434
231 HB3 ALA 34 3HB ALA 34 -5.317 -14.956 -4.923
232 H GLY 35 H GLY 35 -5.609 -11.104 -4.649
233 HA2 GLY 35 1HA GLY 35 -2.933 -11.211 -5.769
234 HA3 GLY 35 2HA GLY 35 -4.045 -9.837 -5.796
235 H ALA 36 H ALA 36 -1.158 -9.924 -5.143
236 HA ALA 36 HA ALA 36 -0.918 -9.196 -2.322
237 HB1 ALA 36 1HB ALA 36 1.019 -10.145 -3.471
238 HB2 ALA 36 2HB ALA 36 0.972 -8.865 -4.697
239 HB3 ALA 36 3HB ALA 36 1.377 -8.479 -3.009
240 H VAL 37 H VAL 37 -0.100 -6.915 -1.756
241 HA VAL 37 HA VAL 37 -1.466 -4.856 -3.407
242 HB VAL 37 HB VAL 37 -1.722 -5.047 -0.385
243 HG11 VAL 37 1HG1 VAL 37 -3.527 -3.390 -0.703
244 HG12 VAL 37 2HG1 VAL 37 -2.029 -2.772 -1.392
245 HG13 VAL 37 3HG1 VAL 37 -3.285 -3.429 -2.461
246 HG21 VAL 37 3HG2 VAL 37 -4.095 -5.709 -0.765
247 HG22 VAL 37 1HG2 VAL 37 -3.728 -5.933 -2.494
248 HG23 VAL 37 2HG2 VAL 37 -2.956 -6.955 -1.259
249 H LEU 38 H LEU 38 -0.388 -3.010 -3.615
250 HA LEU 38 HA LEU 38 1.819 -2.366 -1.729
251 HB3 LEU 38 2HB LEU 38 2.517 -0.741 -3.494
252 HG LEU 38 HG LEU 38 2.422 -3.530 -4.669
253 HD11 LEU 38 1HD1 LEU 38 3.272 -1.745 -6.132
254 HD12 LEU 38 2HD1 LEU 38 4.551 -2.891 -5.699
255 HD13 LEU 38 3HD1 LEU 38 4.477 -1.303 -4.907
256 HD21 LEU 38 3HD2 LEU 38 3.292 -3.849 -2.373
257 HD22 LEU 38 1HD2 LEU 38 4.414 -2.513 -2.561
258 HD23 LEU 38 2HD2 LEU 38 4.581 -3.989 -3.539
259 H VAL 39 H VAL 39 1.442 -0.707 -0.449
260 HA VAL 39 HA VAL 39 -0.782 1.181 -1.088
261 HB VAL 39 HB VAL 39 0.003 0.178 1.670
262 HG11 VAL 39 1HG1 VAL 39 -2.020 2.307 0.814
263 HG12 VAL 39 2HG1 VAL 39 -1.865 1.655 2.454
264 HG13 VAL 39 3HG1 VAL 39 -0.542 2.595 1.753
265 HG21 VAL 39 3HG2 VAL 39 -1.417 -1.352 0.340
266 HG22 VAL 39 1HG2 VAL 39 -2.315 -0.675 1.687
267 HG23 VAL 39 2HG2 VAL 39 -2.579 -0.048 0.052
268 H LYS 40 H LYS 40 0.400 2.608 -2.104
269 HA LYS 40 HA LYS 40 3.007 3.580 -1.023
270 HB3 LYS 40 2HB LYS 40 1.418 4.003 -3.567
271 HG3 LYS 40 2HG LYS 40 4.102 5.235 -2.752
272 HD3 LYS 40 2HD LYS 40 2.456 5.094 -5.279
273 HE3 LYS 40 2HE LYS 40 4.197 7.368 -4.316
274 HZ1 LYS 40 3HZ LYS 40 2.730 6.984 -6.862
275 HZ2 LYS 40 1HZ LYS 40 4.388 6.963 -6.712
276 HZ3 LYS 40 2HZ LYS 40 3.561 8.368 -6.460
277 H ALA 41 H ALA 41 3.055 5.745 -0.160
278 HA ALA 41 HA ALA 41 0.524 7.170 0.246
279 HB1 ALA 41 1HB ALA 41 1.100 7.481 2.643
280 HB2 ALA 41 2HB ALA 41 0.694 5.792 2.258
281 HB3 ALA 41 3HB ALA 41 2.391 6.283 2.490
282 H VAL 42 H VAL 42 1.037 9.152 -0.604
283 HA VAL 42 HA VAL 42 3.811 9.927 -0.987
284 HB VAL 42 HB VAL 42 1.613 10.437 -2.367
285 HG11 VAL 42 1HG1 VAL 42 0.538 12.526 -1.994
286 HG12 VAL 42 2HG1 VAL 42 0.490 11.600 -0.467
287 HG13 VAL 42 3HG1 VAL 42 1.620 12.923 -0.649
288 HG21 VAL 42 3HG2 VAL 42 2.718 12.312 -3.443
289 HG22 VAL 42 1HG2 VAL 42 3.774 12.554 -2.032
290 HG23 VAL 42 2HG2 VAL 42 3.911 11.082 -3.006
291 H ASP 43 H ASP 43 4.741 12.021 -0.034
292 HA ASP 43 HA ASP 43 3.045 13.256 2.053
293 HB3 ASP 43 2HB ASP 43 6.021 13.105 2.351
294 H ARG 44 H ARG 44 2.395 14.549 0.295
295 HA ARG 44 HA ARG 44 4.329 16.037 -1.318
296 HB3 ARG 44 2HB ARG 44 2.247 17.371 -1.988
297 HG3 ARG 44 2HG ARG 44 1.001 15.568 -3.093
298 HD3 ARG 44 2HD ARG 44 3.903 14.985 -3.639
299 HE ARG 44 HE ARG 44 2.694 14.054 -5.360
300 HH11 ARG 44 1HH1 ARG 44 2.064 17.559 -5.277
301 HH12 ARG 44 2HH1 ARG 44 0.922 17.493 -6.586
302 HH21 ARG 44 1HH2 ARG 44 0.958 14.020 -6.979
303 HH22 ARG 44 2HH2 ARG 44 0.216 15.519 -7.444
304 H ARG 45 H ARG 45 3.698 16.465 2.009
305 HA ARG 45 HA ARG 45 3.954 19.421 1.775
306 HB3 ARG 45 2HB ARG 45 3.912 19.135 4.381
307 HG3 ARG 45 2HG ARG 45 2.201 20.186 2.889
308 HD3 ARG 45 2HD ARG 45 0.108 18.432 2.969
309 HE ARG 45 HE ARG 45 1.760 19.384 0.776
310 HH11 ARG 45 1HH1 ARG 45 -1.142 17.361 1.545
311 HH12 ARG 45 2HH1 ARG 45 -1.586 17.317 -0.133
312 HH21 ARG 45 1HH2 ARG 45 0.847 19.407 -1.390
313 HH22 ARG 45 2HH2 ARG 45 -0.608 18.507 -1.679
314 H GLU 46 H GLU 46 5.788 16.516 2.699
315 HA GLU 46 HA GLU 46 8.093 18.310 3.212
316 HB3 GLU 46 2HB GLU 46 9.148 16.352 4.115
317 HG3 GLU 46 2HG GLU 46 6.246 16.409 5.059
318 H GLY 47 H GLY 47 6.755 16.589 0.604
319 HA2 GLY 47 1HA GLY 47 7.526 16.315 -1.553
320 HA3 GLY 47 2HA GLY 47 9.052 17.116 -1.125
321 H THR 48 H THR 48 7.433 14.361 0.510
322 HA THR 48 HA THR 48 9.596 12.547 -0.372
323 HB THR 48 HB THR 48 9.462 11.465 1.879
324 HG1 THR 48 1HG THR 48 8.803 12.773 3.608
325 HG21 THR 48 3HG2 THR 48 10.981 13.038 2.926
326 HG22 THR 48 1HG2 THR 48 10.182 14.421 2.146
327 HG23 THR 48 2HG2 THR 48 11.173 13.290 1.186
328 H ALA 49 H ALA 49 8.755 10.146 0.216
329 HA ALA 49 HA ALA 49 5.907 9.869 0.117
330 HB1 ALA 49 1HB ALA 49 7.623 8.879 -2.214
331 HB2 ALA 49 2HB ALA 49 5.970 8.318 -1.882
332 HB3 ALA 49 3HB ALA 49 6.273 10.014 -2.301
333 H ARG 50 H ARG 50 5.413 7.566 0.420
334 HA ARG 50 HA ARG 50 7.624 5.886 1.523
335 HB3 ARG 50 2HB ARG 50 5.873 5.094 3.241
336 HG3 ARG 50 2HG ARG 50 5.909 7.523 4.435
337 HD3 ARG 50 2HD ARG 50 8.621 6.896 4.657
338 HE ARG 50 HE ARG 50 6.994 5.244 6.341
339 HH11 ARG 50 1HH1 ARG 50 8.087 8.599 5.819
340 HH12 ARG 50 2HH1 ARG 50 7.319 9.230 7.216
341 HH21 ARG 50 1HH2 ARG 50 5.983 6.135 8.297
342 HH22 ARG 50 2HH2 ARG 50 6.196 7.805 8.683
343 H LEU 51 H LEU 51 7.209 3.687 1.304
344 HA LEU 51 HA LEU 51 4.883 2.887 -0.339
345 HB3 LEU 51 2HB LEU 51 7.370 1.521 -1.211
346 HG LEU 51 HG LEU 51 4.969 2.839 -2.569
347 HD11 LEU 51 1HD1 LEU 51 6.892 3.141 -4.009
348 HD12 LEU 51 2HD1 LEU 51 5.890 1.854 -4.698
349 HD13 LEU 51 3HD1 LEU 51 7.343 1.426 -3.786
350 HD21 LEU 51 3HD2 LEU 51 4.314 0.695 -3.322
351 HD22 LEU 51 1HD2 LEU 51 4.639 0.462 -1.603
352 HD23 LEU 51 2HD2 LEU 51 5.862 -0.050 -2.806
353 H PHE 52 H PHE 52 3.926 1.246 0.469
354 HA PHE 52 HA PHE 52 5.395 -0.569 2.321
355 HB3 PHE 52 2HB PHE 52 3.141 -0.902 3.393
356 HD1 PHE 52 2HD PHE 52 5.689 0.131 4.441
357 HD2 PHE 52 1HD PHE 52 1.997 2.231 3.689
358 HE1 PHE 52 2HE PHE 52 6.374 1.917 6.017
359 HE2 PHE 52 1HE PHE 52 2.716 4.034 5.216
360 HZ PHE 52 HZ PHE 52 4.894 3.889 6.391
361 H SER 53 H SER 53 5.262 -2.685 1.912
362 HA SER 53 HA SER 53 3.342 -3.743 -0.133
363 HB3 SER 53 2HB SER 53 5.140 -5.724 0.030
364 HG SER 53 HG SER 53 5.091 -4.664 -1.874
365 H GLU 54 H GLU 54 1.999 -5.324 0.637
366 HA GLU 54 HA GLU 54 1.835 -5.885 3.452
367 HB3 GLU 54 2HB GLU 54 -0.103 -5.913 1.975
368 HG3 GLU 54 2HG GLU 54 1.217 -7.130 0.049
369 H ALA 55 H ALA 55 2.626 -7.718 4.575
370 HA ALA 55 HA ALA 55 4.203 -9.752 3.176
371 HB1 ALA 55 1HB ALA 55 6.093 -9.248 4.852
372 HB2 ALA 55 2HB ALA 55 5.883 -8.093 3.527
373 HB3 ALA 55 3HB ALA 55 5.284 -7.703 5.166
374 H THR 56 H THR 56 4.964 -11.364 4.857
375 HA THR 56 HA THR 56 2.913 -11.698 6.971
376 HB THR 56 HB THR 56 2.903 -14.119 5.561
377 HG1 THR 56 1HG THR 56 3.738 -13.116 3.744
378 HG21 THR 56 3HG2 THR 56 0.895 -11.825 5.450
379 HG22 THR 56 1HG2 THR 56 0.945 -13.083 6.720
380 HG23 THR 56 2HG2 THR 56 0.550 -13.512 5.053
381 H ARG 57 H ARG 57 3.490 -12.825 8.619
382 HA ARG 57 HA ARG 57 6.238 -13.739 8.924
383 HB3 ARG 57 2HB ARG 57 5.747 -13.934 11.322
384 HG3 ARG 57 2HG ARG 57 4.685 -11.346 10.156
385 HD3 ARG 57 2HD ARG 57 6.190 -11.883 12.730
386 HE ARG 57 HE ARG 57 6.689 -9.718 12.509
387 HH11 ARG 57 1HH1 ARG 57 3.278 -10.001 11.461
388 HH12 ARG 57 2HH1 ARG 57 2.972 -8.314 11.587
389 HH21 ARG 57 1HH2 ARG 57 6.410 -7.533 12.196
390 HH22 ARG 57 2HH2 ARG 57 4.931 -6.801 11.750
391 H GLY 58 H GLY 58 5.719 -15.841 10.930
392 HA2 GLY 58 1HA GLY 58 5.236 -18.074 9.149
393 HA3 GLY 58 2HA GLY 58 5.531 -18.126 10.862
394 H ASP 59 H ASP 59 3.024 -16.093 11.019
395 HA ASP 59 HA ASP 59 1.233 -18.450 11.335
396 HB3 ASP 59 2HB ASP 59 0.700 -15.942 12.823
397 H GLY 60 H GLY 60 1.439 -16.206 9.096
398 HA2 GLY 60 1HA GLY 60 -0.155 -15.157 7.670
399 HA3 GLY 60 2HA GLY 60 -1.472 -15.775 8.645
400 H GLU 61 H GLU 61 1.471 -14.160 9.992
401 HA GLU 61 HA GLU 61 -0.390 -12.334 11.404
402 HB3 GLU 61 2HB GLU 61 2.511 -12.467 12.118
403 HG3 GLU 61 2HG GLU 61 0.471 -11.275 13.267
404 H ARG 62 H ARG 62 -0.790 -11.192 9.440
405 HA ARG 62 HA ARG 62 1.289 -10.310 7.715
406 HB3 ARG 62 2HB ARG 62 -1.651 -9.554 7.888
407 HG3 ARG 62 2HG ARG 62 0.326 -9.052 5.636
408 HD3 ARG 62 2HD ARG 62 -2.137 -8.441 4.618
409 HE ARG 62 HE ARG 62 -0.201 -9.794 3.529
410 HH11 ARG 62 1HH1 ARG 62 -3.450 -11.197 4.236
411 HH12 ARG 62 2HH1 ARG 62 -3.582 -11.723 2.570
412 HH21 ARG 62 1HH2 ARG 62 -0.428 -10.768 1.522
413 HH22 ARG 62 2HH2 ARG 62 -1.905 -11.579 1.106
414 H PHE 63 H PHE 63 1.850 -8.084 7.098
415 HA PHE 63 HA PHE 63 1.386 -5.903 8.926
416 HB3 PHE 63 2HB PHE 63 3.156 -7.009 10.147
417 HD1 PHE 63 2HD PHE 63 3.511 -9.341 8.949
418 HD2 PHE 63 1HD PHE 63 5.871 -5.820 8.027
419 HE1 PHE 63 2HE PHE 63 5.337 -10.741 8.092
420 HE2 PHE 63 1HE PHE 63 7.686 -7.316 7.244
421 HZ PHE 63 HZ PHE 63 7.375 -9.741 7.211
422 H TRP 64 H TRP 64 3.004 -4.122 8.068
423 HA TRP 64 HA TRP 64 3.137 -4.232 5.097
424 HB3 TRP 64 2HB TRP 64 2.889 -1.736 5.332
425 HD1 TRP 64 HD TRP 64 0.180 -2.926 7.624
426 HE1 TRP 64 1HE TRP 64 -2.022 -3.355 6.287
427 HE3 TRP 64 3HE TRP 64 2.027 -2.690 2.867
428 HZ2 TRP 64 2HZ TRP 64 -2.821 -3.481 3.569
429 HZ3 TRP 64 3HZ TRP 64 0.550 -3.066 0.918
430 HH2 TRP 64 HH TRP 64 -1.889 -3.483 1.271
431 H MET 65 H MET 65 5.185 -4.552 4.626
432 HA MET 65 HA MET 65 7.269 -3.145 6.279
433 HB3 MET 65 2HB MET 65 7.461 -5.576 6.097
434 HG3 MET 65 2HG MET 65 7.216 -5.117 3.228
435 HE1 MET 65 3HE MET 65 10.970 -7.549 4.426
436 HE2 MET 65 1HE MET 65 10.093 -6.513 5.572
437 HE3 MET 65 2HE MET 65 9.288 -7.929 4.865
438 H GLN 66 H GLN 66 9.317 -2.545 5.102
439 HA GLN 66 HA GLN 66 8.625 -0.948 2.743
440 HB3 GLN 66 2HB GLN 66 10.280 0.633 3.644
441 HG3 GLN 66 2HG GLN 66 8.444 -0.259 5.921
442 HE21 GLN 66 1HE2 GLN 66 8.686 2.992 4.754
443 HE22 GLN 66 2HE2 GLN 66 9.656 3.521 6.183
444 HA PRO 67 HA PRO 67 11.917 -3.982 1.490
445 HB3 PRO 67 2HB PRO 67 10.338 -5.421 0.593
446 HG3 PRO 67 2HG PRO 67 8.296 -4.560 -0.328
447 HD3 PRO 67 2HD PRO 67 8.402 -3.806 1.879
448 H VAL 68 H VAL 68 10.827 -0.916 0.403
449 HA VAL 68 HA VAL 68 12.886 -0.623 -1.661
450 HB VAL 68 HB VAL 68 11.394 1.656 -0.333
451 HG11 VAL 68 1HG1 VAL 68 13.464 2.080 -1.768
452 HG12 VAL 68 2HG1 VAL 68 12.604 1.323 -3.120
453 HG13 VAL 68 3HG1 VAL 68 11.997 2.820 -2.390
454 HG21 VAL 68 3HG2 VAL 68 10.492 -0.160 -2.578
455 HG22 VAL 68 1HG2 VAL 68 9.605 0.246 -1.096
456 HG23 VAL 68 2HG2 VAL 68 9.824 1.466 -2.351
457 H ARG 69 H ARG 69 14.893 -0.534 -1.079
458 HA ARG 69 HA ARG 69 15.831 -0.124 1.649
459 HB3 ARG 69 2HB ARG 69 17.218 -0.718 -1.011
460 HG3 ARG 69 2HG ARG 69 18.545 -2.276 0.615
461 HD3 ARG 69 2HD ARG 69 19.580 0.544 0.735
462 HE ARG 69 HE ARG 69 20.757 -1.943 1.027
463 HH11 ARG 69 1HH1 ARG 69 21.253 0.882 -1.050
464 HH12 ARG 69 2HH1 ARG 69 22.938 0.603 -1.311
465 HH21 ARG 69 1HH2 ARG 69 23.003 -2.388 0.638
466 HH22 ARG 69 2HH2 ARG 69 23.969 -1.224 -0.194
467 H SER 70 H SER 70 14.480 2.129 0.354
468 HA SER 70 HA SER 70 16.291 4.318 0.600
469 HB3 SER 70 2HB SER 70 15.093 3.759 -2.146
470 HG SER 70 HG SER 70 16.586 5.345 -2.800
471 H THR 71 H THR 71 15.029 6.319 0.230
472 HA THR 71 HA THR 71 12.105 6.094 0.045
473 HB THR 71 HB THR 71 12.856 8.287 1.728
474 HG1 THR 71 1HG THR 71 13.806 7.144 3.455
475 HG21 THR 71 3HG2 THR 71 10.713 7.062 1.728
476 HG22 THR 71 1HG2 THR 71 11.440 7.139 3.332
477 HG23 THR 71 2HG2 THR 71 11.539 5.632 2.386
478 H PHE 72 H PHE 72 14.419 6.947 -1.859
479 HA PHE 72 HA PHE 72 13.675 9.702 -2.536
480 HB3 PHE 72 2HB PHE 72 14.750 8.621 -4.826
481 HD1 PHE 72 2HD PHE 72 14.795 11.282 -3.985
482 HD2 PHE 72 1HD PHE 72 17.646 8.163 -3.064
483 HE1 PHE 72 2HE PHE 72 16.587 12.984 -3.747
484 HE2 PHE 72 1HE PHE 72 19.406 9.860 -2.805
485 HZ PHE 72 HZ PHE 72 18.902 12.281 -3.207
486 H GLU 73 H GLU 73 12.045 10.271 -3.950
487 HA GLU 73 HA GLU 73 9.836 8.785 -4.498
488 HB3 GLU 73 2HB GLU 73 9.562 10.287 -6.552
489 HG3 GLU 73 2HG GLU 73 10.270 11.714 -3.975
490 HA PRO 74 HA PRO 74 11.062 7.110 -8.692
491 HB3 PRO 74 2HB PRO 74 12.385 8.651 -9.837
492 HG3 PRO 74 2HG PRO 74 14.380 9.582 -8.834
493 HD3 PRO 74 2HD PRO 74 12.437 10.167 -7.637
494 H ASP 75 H ASP 75 12.982 6.550 -5.913
495 HA ASP 75 HA ASP 75 13.986 3.899 -6.780
496 HB3 ASP 75 2HB ASP 75 14.658 3.701 -4.397
497 H LEU 76 H LEU 76 11.596 5.470 -4.667
498 HA LEU 76 HA LEU 76 10.208 3.145 -3.707
499 HB3 LEU 76 2HB LEU 76 8.366 4.829 -3.267
500 HG LEU 76 HG LEU 76 11.158 5.577 -2.331
501 HD11 LEU 76 1HD1 LEU 76 8.510 6.839 -1.574
502 HD12 LEU 76 2HD1 LEU 76 9.855 7.638 -2.420
503 HD13 LEU 76 3HD1 LEU 76 10.049 7.129 -0.739
504 HD21 LEU 76 3HD2 LEU 76 8.780 4.573 -0.730
505 HD22 LEU 76 1HD2 LEU 76 10.453 4.697 -0.196
506 HD23 LEU 76 2HD2 LEU 76 10.008 3.488 -1.401
507 H ASP 77 H ASP 77 9.356 5.517 -6.287
508 HA ASP 77 HA ASP 77 7.098 4.076 -7.137
509 HB3 ASP 77 2HB ASP 77 7.510 5.492 -9.324
510 H ALA 78 H ALA 78 10.463 3.731 -8.193
511 HA ALA 78 HA ALA 78 9.999 1.913 -10.337
512 HB1 ALA 78 1HB ALA 78 12.323 1.135 -9.814
513 HB2 ALA 78 2HB ALA 78 12.152 2.889 -10.042
514 HB3 ALA 78 3HB ALA 78 12.327 2.201 -8.402
515 H TYR 79 H TYR 79 9.884 1.416 -6.807
516 HA TYR 79 HA TYR 79 10.169 -1.417 -6.804
517 HB3 TYR 79 2HB TYR 79 8.247 0.106 -5.051
518 HD1 TYR 79 2HD TYR 79 11.245 -1.976 -4.282
519 HD2 TYR 79 1HD TYR 79 6.959 -1.681 -4.438
520 HE1 TYR 79 2HE TYR 79 11.084 -4.255 -3.295
521 HE2 TYR 79 1HE TYR 79 6.778 -4.044 -3.597
522 HH TYR 79 HH TYR 79 7.962 -5.978 -3.137
523 H ALA 80 H ALA 80 7.279 0.697 -7.153
524 HA ALA 80 HA ALA 80 5.442 -1.514 -7.410
525 HB1 ALA 80 1HB ALA 80 3.810 0.227 -8.019
526 HB2 ALA 80 2HB ALA 80 4.746 0.712 -6.593
527 HB3 ALA 80 3HB ALA 80 5.117 1.416 -8.187
528 H GLU 81 H GLU 81 7.578 0.058 -9.654
529 HA GLU 81 HA GLU 81 6.119 -0.715 -12.067
530 HB3 GLU 81 2HB GLU 81 8.286 -0.030 -13.154
531 HG3 GLU 81 2HG GLU 81 6.779 1.828 -11.363
532 H ARG 82 H ARG 82 8.778 -1.850 -10.058
533 HA ARG 82 HA ARG 82 9.439 -4.088 -11.769
534 HB3 ARG 82 2HB ARG 82 10.208 -3.576 -8.857
535 HG3 ARG 82 2HG ARG 82 11.661 -5.029 -11.125
536 HD3 ARG 82 2HD ARG 82 12.432 -5.468 -8.287
537 HE ARG 82 HE ARG 82 13.983 -6.321 -9.737
538 HH11 ARG 82 1HH1 ARG 82 13.573 -2.788 -10.432
539 HH12 ARG 82 2HH1 ARG 82 15.028 -2.682 -11.327
540 HH21 ARG 82 1HH2 ARG 82 15.984 -6.072 -10.976
541 HH22 ARG 82 2HH2 ARG 82 16.371 -4.511 -11.640
542 H ALA 83 H ALA 83 7.725 -3.809 -8.616
543 HA ALA 83 HA ALA 83 7.337 -6.562 -8.193
544 HB1 ALA 83 1HB ALA 83 5.482 -4.262 -7.424
545 HB2 ALA 83 2HB ALA 83 5.543 -5.878 -6.678
546 HB3 ALA 83 3HB ALA 83 6.915 -4.768 -6.503
547 H ALA 84 H ALA 84 5.391 -4.208 -10.018
548 HA ALA 84 HA ALA 84 3.339 -6.125 -10.791
549 HB1 ALA 84 1HB ALA 84 3.929 -3.293 -11.743
550 HB2 ALA 84 2HB ALA 84 2.412 -4.180 -11.984
551 HB3 ALA 84 3HB ALA 84 2.899 -3.689 -10.341
552 H ARG 85 H ARG 85 6.101 -6.735 -11.583
553 HA ARG 85 HA ARG 85 5.507 -7.299 -14.433
554 HB3 ARG 85 2HB ARG 85 8.180 -6.347 -13.324
555 HG3 ARG 85 2HG ARG 85 7.310 -6.844 -16.193
556 HD3 ARG 85 2HD ARG 85 9.826 -5.753 -14.895
557 HE ARG 85 HE ARG 85 10.735 -6.230 -16.974
558 HH11 ARG 85 1HH1 ARG 85 7.422 -5.039 -17.562
559 HH12 ARG 85 2HH1 ARG 85 7.481 -5.357 -19.262
560 HH21 ARG 85 1HH2 ARG 85 10.883 -6.442 -19.129
561 HH22 ARG 85 2HH2 ARG 85 9.543 -6.217 -20.211
562 H ILE 86 H ILE 86 6.421 -8.413 -11.356
563 HA ILE 86 HA ILE 86 6.873 -11.119 -12.524
564 HB ILE 86 HB ILE 86 8.049 -10.258 -9.859
565 HG13 ILE 86 2HG1 ILE 86 9.423 -10.358 -12.580
566 HG21 ILE 86 1HG2 ILE 86 8.501 -12.713 -11.616
567 HG22 ILE 86 2HG2 ILE 86 9.355 -12.370 -10.094
568 HG23 ILE 86 3HG2 ILE 86 7.627 -12.675 -10.077
569 HD11 ILE 86 3HD1 ILE 86 9.013 -8.064 -12.017
570 HD12 ILE 86 1HD1 ILE 86 9.374 -8.334 -10.295
571 HD13 ILE 86 2HD1 ILE 86 10.661 -8.349 -11.503
572 H ASP 87 H ASP 87 5.217 -9.159 -9.926
573 HA ASP 87 HA ASP 87 4.276 -11.538 -8.586
574 HB3 ASP 87 2HB ASP 87 2.459 -9.826 -7.787
575 HA PRO 88 HA PRO 88 1.595 -12.921 -11.531
576 HB3 PRO 88 2HB PRO 88 1.475 -14.862 -10.294
577 HG3 PRO 88 2HG PRO 88 1.280 -14.785 -7.908
578 HD3 PRO 88 2HD PRO 88 3.122 -13.451 -8.532
579 H ASP 89 H ASP 89 -0.036 -11.168 -8.903
580 HA ASP 89 HA ASP 89 -1.442 -9.611 -10.784
581 HB3 ASP 89 2HB ASP 89 -3.606 -10.888 -9.173
582 H ILE 90 H ILE 90 -0.448 -7.980 -9.701
583 HA ILE 90 HA ILE 90 -1.022 -7.677 -6.812
584 HB ILE 90 HB ILE 90 1.270 -7.960 -7.478
585 HG13 ILE 90 2HG1 ILE 90 0.739 -6.720 -5.474
586 HG21 ILE 90 1HG2 ILE 90 1.280 -7.011 -9.736
587 HG22 ILE 90 2HG2 ILE 90 1.027 -5.380 -9.078
588 HG23 ILE 90 3HG2 ILE 90 2.524 -6.275 -8.747
589 HD11 ILE 90 3HD1 ILE 90 3.163 -7.006 -6.244
590 HD12 ILE 90 1HD1 ILE 90 3.095 -5.301 -6.740
591 HD13 ILE 90 2HD1 ILE 90 2.838 -5.748 -5.043
592 H TRP 91 H TRP 91 -1.808 -5.837 -5.949
593 HA TRP 91 HA TRP 91 -3.338 -4.024 -7.703
594 HB3 TRP 91 2HB TRP 91 -4.281 -3.293 -5.475
595 HD1 TRP 91 HD TRP 91 -3.852 -7.161 -5.729
596 HE1 TRP 91 1HE TRP 91 -6.193 -8.219 -5.962
597 HE3 TRP 91 3HE TRP 91 -6.691 -2.935 -5.602
598 HZ2 TRP 91 2HZ TRP 91 -8.882 -7.306 -6.429
599 HZ3 TRP 91 3HZ TRP 91 -9.183 -3.068 -5.805
600 HH2 TRP 91 HH TRP 91 -10.272 -5.248 -6.219
601 H VAL 92 H VAL 92 -3.307 -1.711 -7.225
602 HA VAL 92 HA VAL 92 -0.830 -0.608 -5.991
603 HB VAL 92 HB VAL 92 -2.146 0.226 -8.617
604 HG11 VAL 92 1HG1 VAL 92 0.184 1.552 -7.193
605 HG12 VAL 92 2HG1 VAL 92 -0.387 1.917 -8.831
606 HG13 VAL 92 3HG1 VAL 92 -1.434 2.250 -7.445
607 HG21 VAL 92 3HG2 VAL 92 0.739 -0.634 -8.184
608 HG22 VAL 92 1HG2 VAL 92 -0.529 -1.712 -8.788
609 HG23 VAL 92 2HG2 VAL 92 -0.086 -0.283 -9.726
610 H VAL 93 H VAL 93 -1.550 0.614 -4.311
611 HA VAL 93 HA VAL 93 -4.121 2.038 -4.591
612 HB VAL 93 HB VAL 93 -3.091 0.979 -1.951
613 HG11 VAL 93 1HG1 VAL 93 -5.870 1.587 -3.008
614 HG12 VAL 93 2HG1 VAL 93 -5.450 1.218 -1.328
615 HG13 VAL 93 3HG1 VAL 93 -4.887 2.730 -2.065
616 HG21 VAL 93 3HG2 VAL 93 -3.328 -1.077 -3.271
617 HG22 VAL 93 1HG2 VAL 93 -4.659 -0.937 -2.127
618 HG23 VAL 93 2HG2 VAL 93 -4.929 -0.554 -3.846
619 H GLU 94 H GLU 94 -3.545 4.121 -4.869
620 HA GLU 94 HA GLU 94 -1.077 5.181 -3.587
621 HB3 GLU 94 2HB GLU 94 -1.532 7.185 -4.957
622 HG3 GLU 94 2HG GLU 94 -1.726 5.390 -7.230
623 H ILE 95 H ILE 95 -1.371 6.103 -1.663
624 HA ILE 95 HA ILE 95 -3.948 7.471 -1.051
625 HB ILE 95 HB ILE 95 -1.721 6.850 0.912
626 HG13 ILE 95 2HG1 ILE 95 -2.964 4.891 1.724
627 HG21 ILE 95 1HG2 ILE 95 -4.686 7.459 1.271
628 HG22 ILE 95 2HG2 ILE 95 -3.554 7.044 2.576
629 HG23 ILE 95 3HG2 ILE 95 -3.319 8.529 1.643
630 HD11 ILE 95 3HD1 ILE 95 -4.507 4.972 -0.920
631 HD12 ILE 95 1HD1 ILE 95 -4.499 3.673 0.267
632 HD13 ILE 95 2HD1 ILE 95 -5.219 5.229 0.694
633 H GLU 96 H GLU 96 -3.758 9.559 -1.909
634 HA GLU 96 HA GLU 96 -1.167 10.953 -1.591
635 HB3 GLU 96 2HB GLU 96 -2.512 12.818 -2.725
636 HG3 GLU 96 2HG GLU 96 -1.813 10.426 -4.462
637 H ASP 97 H ASP 97 -1.063 11.370 0.623
638 HA ASP 97 HA ASP 97 -3.142 13.203 1.603
639 HB3 ASP 97 2HB ASP 97 -1.885 11.348 3.579
640 H ARG 98 H ARG 98 -2.397 14.514 3.288
641 HA ARG 98 HA ARG 98 -0.025 15.909 2.549
642 HB3 ARG 98 2HB ARG 98 -2.210 16.077 4.643
643 HG3 ARG 98 2HG ARG 98 0.444 17.525 4.994
644 HD3 ARG 98 2HD ARG 98 -2.360 18.400 5.726
645 HE ARG 98 HE ARG 98 0.083 18.539 7.404
646 HH11 ARG 98 1HH1 ARG 98 -3.465 18.846 7.240
647 HH12 ARG 98 2HH1 ARG 98 -3.589 18.582 8.972
648 HH21 ARG 98 1HH2 ARG 98 -0.153 18.664 9.554
649 HH22 ARG 98 2HH2 ARG 98 -1.749 18.596 10.300
650 H ASP 99 H ASP 99 -0.642 14.480 5.679
651 HA ASP 99 HA ASP 99 2.209 14.671 6.239
652 HB3 ASP 99 2HB ASP 99 1.663 14.112 8.525
653 H GLY 100 H GLY 100 1.646 12.575 4.286
654 HA2 GLY 100 1HA GLY 100 2.527 10.477 3.865
655 HA3 GLY 100 2HA GLY 100 3.205 10.507 5.458
656 H ARG 101 H ARG 101 -0.304 10.787 5.296
657 HA ARG 101 HA ARG 101 -0.550 8.510 7.029
658 HB3 ARG 101 2HB ARG 101 -3.013 8.608 6.558
659 HG3 ARG 101 2HG ARG 101 -2.117 11.433 7.105
660 HD3 ARG 101 2HD ARG 101 -4.168 9.570 8.438
661 HE ARG 101 HE ARG 101 -4.612 12.420 8.546
662 HH11 ARG 101 1HH1 ARG 101 -2.858 9.779 10.223
663 HH12 ARG 101 2HH1 ARG 101 -2.259 10.792 11.466
664 HH21 ARG 101 1HH2 ARG 101 -3.867 13.712 10.205
665 HH22 ARG 101 2HH2 ARG 101 -2.759 13.103 11.373
666 H HIS 102 H HIS 102 -1.280 6.480 6.699
667 HA HIS 102 HA HIS 102 -1.511 5.470 3.905
668 HB3 HIS 102 2HB HIS 102 0.524 4.690 4.666
669 HD1 HIS 102 1HD HIS 102 -0.992 2.765 7.692
670 HD2 HIS 102 2HD HIS 102 1.584 5.933 6.696
671 HE1 HIS 102 1HE HIS 102 0.031 3.534 9.858
672 H PHE 103 H PHE 103 -3.203 5.806 6.921
673 HA PHE 103 HA PHE 103 -5.069 4.861 7.766
674 HB3 PHE 103 2HB PHE 103 -6.869 4.567 5.915
675 HD1 PHE 103 2HD PHE 103 -7.483 5.930 7.972
676 HD2 PHE 103 1HD PHE 103 -5.152 7.506 4.688
677 HE1 PHE 103 2HE PHE 103 -8.001 8.252 8.705
678 HE2 PHE 103 1HE PHE 103 -5.742 9.813 5.401
679 HZ PHE 103 HZ PHE 103 -7.109 10.176 7.430
680 H LEU 104 H LEU 104 -3.055 2.959 7.517
681 HA LEU 104 HA LEU 104 -4.394 0.393 6.816
682 HB3 LEU 104 2HB LEU 104 -2.149 -0.569 7.385
683 HG LEU 104 HG LEU 104 -2.071 1.747 5.402
684 HD11 LEU 104 1HD1 LEU 104 -0.049 -0.429 5.879
685 HD12 LEU 104 2HD1 LEU 104 0.189 1.296 6.091
686 HD13 LEU 104 3HD1 LEU 104 -0.063 0.639 4.467
687 HD21 LEU 104 3HD2 LEU 104 -2.805 -1.173 5.166
688 HD22 LEU 104 1HD2 LEU 104 -2.161 -0.278 3.789
689 HD23 LEU 104 2HD2 LEU 104 -3.652 0.255 4.567
690 H THR 105 H THR 105 -5.407 -0.768 8.473
691 HA THR 105 HA THR 105 -5.235 0.288 11.194
692 HB THR 105 HB THR 105 -7.355 -0.512 10.230
693 HG1 THR 105 1HG THR 105 -6.214 -1.680 12.503
694 HG21 THR 105 3HG2 THR 105 -6.533 -2.502 8.969
695 HG22 THR 105 1HG2 THR 105 -7.863 -2.883 10.062
696 HG23 THR 105 2HG2 THR 105 -6.203 -3.330 10.506
697 H GLU 106 H GLU 106 -3.057 -1.592 9.574
698 HA GLU 106 HA GLU 106 -2.537 -3.637 11.612
699 HB3 GLU 106 2HB GLU 106 -0.976 -4.341 9.648
700 HG3 GLU 106 2HG GLU 106 -4.001 -4.081 9.416
701 HA PRO 107 HA PRO 107 1.346 -1.625 12.879
702 HB3 PRO 107 2HB PRO 107 1.676 -3.462 14.274
703 HG3 PRO 107 2HG PRO 107 1.395 -5.724 13.467
704 HD3 PRO 107 2HD PRO 107 -0.663 -4.567 13.276
705 H VAL 108 H VAL 108 3.675 -1.382 12.095
706 HA VAL 108 HA VAL 108 4.001 -2.051 9.231
707 HB VAL 108 HB VAL 108 4.405 0.754 10.345
708 HG11 VAL 108 1HG1 VAL 108 5.734 0.137 8.305
709 HG12 VAL 108 2HG1 VAL 108 4.227 -0.231 7.461
710 HG13 VAL 108 3HG1 VAL 108 4.564 1.422 8.021
711 HG21 VAL 108 3HG2 VAL 108 2.033 -0.363 8.805
712 HG22 VAL 108 1HG2 VAL 108 2.046 0.415 10.413
713 HG23 VAL 108 2HG2 VAL 108 2.385 1.374 8.965
714 H GLU 109 H GLU 109 5.981 -2.704 8.831
715 HA GLU 109 HA GLU 109 8.077 -2.938 10.893
716 HB3 GLU 109 2HB GLU 109 9.123 -3.702 8.421
717 HG3 GLU 109 2HG GLU 109 8.280 -6.022 9.005
718 H SER 110 H SER 110 10.344 -2.398 9.835
719 HA SER 110 HA SER 110 10.381 0.360 8.790
720 HB3 SER 110 2HB SER 110 11.412 -0.454 11.524
721 HG SER 110 HG SER 110 12.467 1.259 10.303
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -14.312 -18.100 12.197
2 HA2 GLY 1 1HA GLY 1 -12.800 -16.426 13.123
3 HA3 GLY 1 2HA GLY 1 -11.452 -17.318 12.388
4 H MET 2 H MET 2 -11.906 -14.570 11.798
5 HA MET 2 HA MET 2 -13.832 -14.174 9.795
6 HB3 MET 2 2HB MET 2 -12.939 -12.003 9.442
7 HG3 MET 2 2HG MET 2 -13.757 -12.495 11.830
8 HE1 MET 2 3HE MET 2 -12.779 -11.023 14.300
9 HE2 MET 2 1HE MET 2 -13.461 -12.668 14.375
10 HE3 MET 2 2HE MET 2 -11.953 -12.290 15.231
11 H LEU 3 H LEU 3 -13.502 -13.404 7.556
12 HA LEU 3 HA LEU 3 -11.131 -14.448 6.180
13 HB3 LEU 3 2HB LEU 3 -13.758 -15.021 4.858
14 HG LEU 3 HG LEU 3 -12.686 -16.986 4.096
15 HD11 LEU 3 1HD1 LEU 3 -11.925 -14.907 2.953
16 HD12 LEU 3 2HD1 LEU 3 -10.730 -16.231 2.901
17 HD13 LEU 3 3HD1 LEU 3 -10.489 -14.882 4.006
18 HD21 LEU 3 3HD2 LEU 3 -10.315 -16.436 5.908
19 HD22 LEU 3 1HD2 LEU 3 -10.570 -17.820 4.816
20 HD23 LEU 3 2HD2 LEU 3 -11.622 -17.605 6.242
21 H LEU 4 H LEU 4 -10.377 -12.588 5.417
22 HA LEU 4 HA LEU 4 -12.200 -10.582 4.191
23 HB3 LEU 4 2HB LEU 4 -10.135 -9.208 4.057
24 HG LEU 4 HG LEU 4 -11.484 -10.114 6.483
25 HD11 LEU 4 1HD1 LEU 4 -8.567 -9.425 6.939
26 HD12 LEU 4 2HD1 LEU 4 -9.365 -10.982 7.241
27 HD13 LEU 4 3HD1 LEU 4 -9.838 -9.567 8.175
28 HD21 LEU 4 3HD2 LEU 4 -11.795 -7.957 5.497
29 HD22 LEU 4 1HD2 LEU 4 -10.119 -7.489 5.842
30 HD23 LEU 4 2HD2 LEU 4 -11.256 -7.805 7.174
31 H SER 5 H SER 5 -11.291 -9.659 2.047
32 HA SER 5 HA SER 5 -9.980 -11.720 0.385
33 HB3 SER 5 2HB SER 5 -11.449 -11.506 -1.388
34 HG SER 5 HG SER 5 -13.407 -10.863 0.506
35 H THR 6 H THR 6 -8.705 -10.561 -1.415
36 HA THR 6 HA THR 6 -7.299 -8.355 -0.449
37 HB THR 6 HB THR 6 -7.739 -9.106 -3.359
38 HG1 THR 6 1HG THR 6 -5.514 -10.133 -2.228
39 HG21 THR 6 3HG2 THR 6 -6.478 -7.008 -2.981
40 HG22 THR 6 1HG2 THR 6 -5.396 -8.283 -3.576
41 HG23 THR 6 2HG2 THR 6 -5.410 -7.867 -1.851
42 H ASP 7 H ASP 7 -10.166 -8.537 -2.557
43 HA ASP 7 HA ASP 7 -10.323 -5.814 -3.234
44 HB3 ASP 7 2HB ASP 7 -11.726 -7.998 -3.951
45 H ILE 8 H ILE 8 -11.365 -7.471 -0.295
46 HA ILE 8 HA ILE 8 -13.083 -5.463 0.740
47 HB ILE 8 HB ILE 8 -11.561 -7.648 2.199
48 HG13 ILE 8 2HG1 ILE 8 -13.651 -8.871 2.158
49 HG21 ILE 8 1HG2 ILE 8 -13.734 -5.746 3.102
50 HG22 ILE 8 2HG2 ILE 8 -13.436 -7.309 3.906
51 HG23 ILE 8 3HG2 ILE 8 -12.156 -6.073 3.841
52 HD11 ILE 8 3HD1 ILE 8 -15.500 -8.352 0.774
53 HD12 ILE 8 1HD1 ILE 8 -15.242 -6.920 1.770
54 HD13 ILE 8 2HD1 ILE 8 -14.700 -6.929 0.076
55 H TRP 9 H TRP 9 -9.587 -6.213 1.424
56 HA TRP 9 HA TRP 9 -9.351 -4.165 3.402
57 HB3 TRP 9 2HB TRP 9 -6.935 -4.185 2.941
58 HD1 TRP 9 HD TRP 9 -8.363 -5.568 5.250
59 HE1 TRP 9 1HE TRP 9 -7.668 -7.891 6.082
60 HE3 TRP 9 3HE TRP 9 -6.135 -7.282 1.025
61 HZ2 TRP 9 2HZ TRP 9 -6.585 -10.340 4.930
62 HZ3 TRP 9 3HZ TRP 9 -5.353 -9.664 0.860
63 HH2 TRP 9 HH TRP 9 -5.597 -11.185 2.820
64 H VAL 10 H VAL 10 -8.665 -4.153 -0.126
65 HA VAL 10 HA VAL 10 -7.876 -1.431 -0.281
66 HB VAL 10 HB VAL 10 -9.167 -3.268 -2.344
67 HG11 VAL 10 1HG1 VAL 10 -8.141 -1.783 -4.028
68 HG12 VAL 10 2HG1 VAL 10 -9.329 -0.899 -3.068
69 HG13 VAL 10 3HG1 VAL 10 -7.594 -0.692 -2.741
70 HG21 VAL 10 3HG2 VAL 10 -6.841 -3.627 -3.119
71 HG22 VAL 10 1HG2 VAL 10 -6.232 -2.590 -1.812
72 HG23 VAL 10 2HG2 VAL 10 -7.004 -4.147 -1.450
73 H ALA 11 H ALA 11 -11.158 -2.944 -0.487
74 HA ALA 11 HA ALA 11 -12.510 -0.613 -1.211
75 HB1 ALA 11 1HB ALA 11 -13.591 -2.823 -1.331
76 HB2 ALA 11 2HB ALA 11 -13.515 -2.992 0.437
77 HB3 ALA 11 3HB ALA 11 -14.551 -1.752 -0.293
78 H ALA 12 H ALA 12 -12.056 -2.004 2.042
79 HA ALA 12 HA ALA 12 -13.345 0.057 3.514
80 HB1 ALA 12 1HB ALA 12 -12.840 -2.234 4.363
81 HB2 ALA 12 2HB ALA 12 -11.109 -1.850 4.382
82 HB3 ALA 12 3HB ALA 12 -12.226 -0.974 5.455
83 H LEU 13 H LEU 13 -9.893 -0.531 2.837
84 HA LEU 13 HA LEU 13 -8.725 1.620 4.105
85 HB3 LEU 13 2HB LEU 13 -8.021 0.074 1.606
86 HG LEU 13 HG LEU 13 -6.937 2.293 1.339
87 HD11 LEU 13 1HD1 LEU 13 -5.668 1.659 4.035
88 HD12 LEU 13 2HD1 LEU 13 -6.789 2.996 3.733
89 HD13 LEU 13 3HD1 LEU 13 -5.221 3.002 2.948
90 HD21 LEU 13 3HD2 LEU 13 -4.607 1.303 1.362
91 HD22 LEU 13 1HD2 LEU 13 -5.836 0.406 0.448
92 HD23 LEU 13 2HD2 LEU 13 -5.311 -0.171 2.035
93 H ILE 14 H ILE 14 -9.874 1.616 0.657
94 HA ILE 14 HA ILE 14 -9.119 4.286 0.170
95 HB ILE 14 HB ILE 14 -11.218 2.437 -1.000
96 HG13 ILE 14 2HG1 ILE 14 -9.731 2.382 -2.919
97 HG21 ILE 14 1HG2 ILE 14 -12.300 4.411 -1.559
98 HG22 ILE 14 2HG2 ILE 14 -10.813 5.354 -1.738
99 HG23 ILE 14 3HG2 ILE 14 -11.257 4.159 -2.971
100 HD11 ILE 14 3HD1 ILE 14 -8.835 4.835 -2.540
101 HD12 ILE 14 1HD1 ILE 14 -7.703 4.039 -1.430
102 HD13 ILE 14 2HD1 ILE 14 -7.755 3.576 -3.136
103 H ARG 15 H ARG 15 -12.191 3.067 1.366
104 HA ARG 15 HA ARG 15 -13.497 5.559 1.835
105 HB3 ARG 15 2HB ARG 15 -14.582 4.227 3.818
106 HG3 ARG 15 2HG ARG 15 -15.567 2.427 2.209
107 HD3 ARG 15 2HD ARG 15 -16.397 4.976 2.838
108 HE ARG 15 HE ARG 15 -16.292 6.265 1.009
109 HH11 ARG 15 1HH1 ARG 15 -16.727 2.969 -0.139
110 HH12 ARG 15 2HH1 ARG 15 -17.152 3.389 -1.752
111 HH21 ARG 15 1HH2 ARG 15 -16.536 6.852 -1.209
112 HH22 ARG 15 2HH2 ARG 15 -17.034 5.664 -2.367
113 H ARG 16 H ARG 16 -11.242 3.756 4.019
114 HA ARG 16 HA ARG 16 -11.632 5.534 6.237
115 HB3 ARG 16 2HB ARG 16 -9.577 4.222 7.077
116 HG3 ARG 16 2HG ARG 16 -12.132 2.871 6.112
117 HD3 ARG 16 2HD ARG 16 -9.791 1.604 7.566
118 HE ARG 16 HE ARG 16 -12.374 0.215 7.252
119 HH11 ARG 16 1HH1 ARG 16 -10.535 2.295 9.479
120 HH12 ARG 16 2HH1 ARG 16 -10.967 1.397 10.888
121 HH21 ARG 16 1HH2 ARG 16 -13.043 -0.928 9.157
122 HH22 ARG 16 2HH2 ARG 16 -12.596 -0.300 10.727
123 H ALA 17 H ALA 17 -9.226 5.388 3.630
124 HA ALA 17 HA ALA 17 -7.449 7.382 4.716
125 HB1 ALA 17 1HB ALA 17 -6.765 5.725 2.991
126 HB2 ALA 17 2HB ALA 17 -7.958 6.420 1.862
127 HB3 ALA 17 3HB ALA 17 -6.560 7.389 2.401
128 H GLU 18 H GLU 18 -10.021 7.448 2.186
129 HA GLU 18 HA GLU 18 -10.081 10.196 1.653
130 HB3 GLU 18 2HB GLU 18 -12.617 9.573 1.322
131 HG3 GLU 18 2HG GLU 18 -10.707 7.880 -0.335
132 H LEU 19 H LEU 19 -11.654 8.376 4.274
133 HA LEU 19 HA LEU 19 -13.194 10.378 5.460
134 HB3 LEU 19 2HB LEU 19 -11.759 8.580 7.385
135 HG LEU 19 HG LEU 19 -14.586 8.930 6.452
136 HD11 LEU 19 1HD1 LEU 19 -13.567 7.186 8.747
137 HD12 LEU 19 2HD1 LEU 19 -14.070 6.580 7.164
138 HD13 LEU 19 3HD1 LEU 19 -15.260 7.342 8.225
139 HD21 LEU 19 3HD2 LEU 19 -15.068 9.717 8.786
140 HD22 LEU 19 1HD2 LEU 19 -14.005 10.787 7.894
141 HD23 LEU 19 2HD2 LEU 19 -13.310 9.677 9.108
142 H GLY 20 H GLY 20 -9.854 9.909 5.564
143 HA2 GLY 20 1HA GLY 20 -9.310 11.687 7.859
144 HA3 GLY 20 2HA GLY 20 -8.109 10.786 6.941
145 H GLY 21 H GLY 21 -9.849 12.253 4.555
146 HA2 GLY 21 1HA GLY 21 -9.621 14.263 3.395
147 HA3 GLY 21 2HA GLY 21 -8.643 14.930 4.710
148 H ALA 22 H ALA 22 -8.112 11.850 3.019
149 HA ALA 22 HA ALA 22 -5.564 12.792 1.805
150 HB1 ALA 22 1HB ALA 22 -5.065 10.406 1.606
151 HB2 ALA 22 2HB ALA 22 -5.584 10.720 3.265
152 HB3 ALA 22 3HB ALA 22 -6.707 9.973 2.110
153 H PHE 23 H PHE 23 -5.250 11.802 -0.449
154 HA PHE 23 HA PHE 23 -7.824 11.435 -1.943
155 HB3 PHE 23 2HB PHE 23 -5.293 12.385 -3.282
156 HD1 PHE 23 2HD PHE 23 -9.008 12.953 -3.328
157 HD2 PHE 23 1HD PHE 23 -5.468 11.940 -5.571
158 HE1 PHE 23 2HE PHE 23 -10.360 12.857 -5.415
159 HE2 PHE 23 1HE PHE 23 -6.798 11.885 -7.648
160 HZ PHE 23 HZ PHE 23 -9.258 12.332 -7.573
161 H ALA 24 H ALA 24 -7.946 9.290 -1.540
162 HA ALA 24 HA ALA 24 -5.639 7.577 -2.268
163 HB1 ALA 24 1HB ALA 24 -6.656 5.891 -0.884
164 HB2 ALA 24 2HB ALA 24 -6.520 7.388 0.045
165 HB3 ALA 24 3HB ALA 24 -8.100 6.905 -0.626
166 H THR 25 H THR 25 -5.910 5.938 -3.790
167 HA THR 25 HA THR 25 -8.502 5.258 -4.772
168 HB THR 25 HB THR 25 -7.983 7.401 -6.037
169 HG1 THR 25 1HG THR 25 -9.139 6.715 -7.648
170 HG21 THR 25 3HG2 THR 25 -6.255 5.526 -7.708
171 HG22 THR 25 1HG2 THR 25 -5.634 6.789 -6.607
172 HG23 THR 25 2HG2 THR 25 -6.606 7.240 -8.028
173 H VAL 26 H VAL 26 -8.343 3.600 -6.497
174 HA VAL 26 HA VAL 26 -6.021 1.812 -5.908
175 HB VAL 26 HB VAL 26 -8.262 1.021 -5.293
176 HG11 VAL 26 1HG1 VAL 26 -9.670 1.905 -7.126
177 HG12 VAL 26 2HG1 VAL 26 -8.887 0.783 -8.256
178 HG13 VAL 26 3HG1 VAL 26 -9.836 0.151 -6.894
179 HG21 VAL 26 3HG2 VAL 26 -6.734 -0.506 -7.405
180 HG22 VAL 26 1HG2 VAL 26 -6.481 -0.540 -5.645
181 HG23 VAL 26 2HG2 VAL 26 -7.960 -1.223 -6.354
182 H ALA 27 H ALA 27 -4.415 1.735 -7.353
183 HA ALA 27 HA ALA 27 -4.867 2.933 -10.021
184 HB1 ALA 27 1HB ALA 27 -3.000 3.710 -8.581
185 HB2 ALA 27 2HB ALA 27 -2.308 2.079 -8.595
186 HB3 ALA 27 3HB ALA 27 -2.420 3.011 -10.098
187 H ARG 28 H ARG 28 -4.891 -0.229 -8.714
188 HA ARG 28 HA ARG 28 -4.364 -1.472 -11.358
189 HB3 ARG 28 2HB ARG 28 -2.866 -2.314 -8.880
190 HG3 ARG 28 2HG ARG 28 -3.099 -3.503 -11.548
191 HD3 ARG 28 2HD ARG 28 -0.363 -3.940 -10.690
192 HE ARG 28 HE ARG 28 -0.439 -4.384 -12.885
193 HH11 ARG 28 1HH1 ARG 28 -2.063 -1.231 -12.448
194 HH12 ARG 28 2HH1 ARG 28 -2.485 -1.062 -14.109
195 HH21 ARG 28 1HH2 ARG 28 -1.065 -4.165 -15.102
196 HH22 ARG 28 2HH2 ARG 28 -2.057 -2.846 -15.612
197 H LYS 29 H LYS 29 -5.120 -3.698 -11.465
198 HA LYS 29 HA LYS 29 -6.822 -4.570 -9.192
199 HB3 LYS 29 2HB LYS 29 -7.238 -4.914 -12.196
200 HG3 LYS 29 2HG LYS 29 -8.051 -6.910 -10.939
201 HD3 LYS 29 2HD LYS 29 -8.730 -5.789 -8.792
202 HE3 LYS 29 2HE LYS 29 -9.747 -3.734 -9.636
203 HZ1 LYS 29 3HZ LYS 29 -10.794 -4.509 -11.635
204 HZ2 LYS 29 1HZ LYS 29 -11.943 -3.857 -10.647
205 HZ3 LYS 29 2HZ LYS 29 -11.831 -5.490 -10.781
206 H GLY 30 H GLY 30 -6.732 -6.754 -8.748
207 HA2 GLY 30 1HA GLY 30 -4.988 -8.565 -10.190
208 HA3 GLY 30 2HA GLY 30 -4.625 -8.170 -8.482
209 H ASP 31 H ASP 31 -5.192 -10.473 -7.954
210 HA ASP 31 HA ASP 31 -7.843 -11.455 -8.548
211 HB3 ASP 31 2HB ASP 31 -6.655 -12.464 -6.037
212 H ALA 32 H ALA 32 -9.777 -10.995 -7.480
213 HA ALA 32 HA ALA 32 -9.826 -9.159 -5.228
214 HB1 ALA 32 1HB ALA 32 -12.226 -9.862 -5.072
215 HB2 ALA 32 2HB ALA 32 -11.748 -9.243 -6.666
216 HB3 ALA 32 3HB ALA 32 -11.938 -11.001 -6.405
217 H ARG 33 H ARG 33 -9.418 -12.687 -5.480
218 HA ARG 33 HA ARG 33 -10.255 -13.046 -2.672
219 HB3 ARG 33 2HB ARG 33 -9.436 -15.513 -3.473
220 HG3 ARG 33 2HG ARG 33 -11.991 -13.963 -3.805
221 HD3 ARG 33 2HD ARG 33 -11.578 -16.773 -4.913
222 HE ARG 33 HE ARG 33 -13.722 -16.018 -3.467
223 HH11 ARG 33 1HH1 ARG 33 -13.552 -16.460 -6.991
224 HH12 ARG 33 2HH1 ARG 33 -15.270 -16.326 -7.214
225 HH21 ARG 33 1HH2 ARG 33 -15.901 -16.011 -3.713
226 HH22 ARG 33 2HH2 ARG 33 -16.605 -15.867 -5.289
227 H ALA 34 H ALA 34 -7.282 -13.624 -4.636
228 HA ALA 34 HA ALA 34 -5.694 -13.309 -2.194
229 HB1 ALA 34 1HB ALA 34 -5.537 -15.778 -3.947
230 HB2 ALA 34 2HB ALA 34 -4.590 -15.466 -2.480
231 HB3 ALA 34 3HB ALA 34 -6.352 -15.733 -2.363
232 H GLY 35 H GLY 35 -5.836 -11.423 -3.890
233 HA2 GLY 35 1HA GLY 35 -3.434 -11.505 -5.621
234 HA3 GLY 35 2HA GLY 35 -4.623 -10.186 -5.426
235 H ALA 36 H ALA 36 -1.657 -10.223 -5.056
236 HA ALA 36 HA ALA 36 -1.297 -9.574 -2.195
237 HB1 ALA 36 1HB ALA 36 0.618 -10.550 -3.327
238 HB2 ALA 36 2HB ALA 36 0.560 -9.315 -4.608
239 HB3 ALA 36 3HB ALA 36 1.005 -8.873 -2.943
240 H VAL 37 H VAL 37 -0.336 -7.283 -1.808
241 HA VAL 37 HA VAL 37 -1.637 -5.235 -3.526
242 HB VAL 37 HB VAL 37 -1.766 -5.307 -0.481
243 HG11 VAL 37 1HG1 VAL 37 -1.904 -3.001 -1.394
244 HG12 VAL 37 2HG1 VAL 37 -3.168 -3.528 -2.530
245 HG13 VAL 37 3HG1 VAL 37 -3.470 -3.507 -0.782
246 HG21 VAL 37 3HG2 VAL 37 -4.186 -5.715 -0.708
247 HG22 VAL 37 1HG2 VAL 37 -3.948 -6.012 -2.446
248 HG23 VAL 37 2HG2 VAL 37 -3.201 -7.075 -1.231
249 H LEU 38 H LEU 38 -0.606 -3.188 -3.445
250 HA LEU 38 HA LEU 38 1.997 -2.904 -2.007
251 HB3 LEU 38 2HB LEU 38 2.401 -1.234 -4.052
252 HG LEU 38 HG LEU 38 2.705 -4.242 -4.250
253 HD11 LEU 38 1HD1 LEU 38 2.590 -3.417 -6.531
254 HD12 LEU 38 2HD1 LEU 38 4.281 -3.769 -6.127
255 HD13 LEU 38 3HD1 LEU 38 3.709 -2.084 -6.147
256 HD21 LEU 38 3HD2 LEU 38 4.068 -2.883 -2.544
257 HD22 LEU 38 1HD2 LEU 38 4.828 -2.069 -3.919
258 HD23 LEU 38 2HD2 LEU 38 4.974 -3.833 -3.704
259 H VAL 39 H VAL 39 2.309 -0.737 -1.156
260 HA VAL 39 HA VAL 39 0.055 1.172 -1.483
261 HB VAL 39 HB VAL 39 1.250 0.170 1.116
262 HG11 VAL 39 1HG1 VAL 39 -0.854 2.357 0.773
263 HG12 VAL 39 2HG1 VAL 39 -0.148 1.726 2.286
264 HG13 VAL 39 3HG1 VAL 39 0.834 2.659 1.194
265 HG21 VAL 39 3HG2 VAL 39 -0.569 -1.283 0.181
266 HG22 VAL 39 1HG2 VAL 39 -0.868 -0.620 1.785
267 HG23 VAL 39 2HG2 VAL 39 -1.678 0.069 0.384
268 H LYS 40 H LYS 40 1.234 2.723 -2.645
269 HA LYS 40 HA LYS 40 3.786 3.635 -1.387
270 HB3 LYS 40 2HB LYS 40 2.618 4.250 -4.127
271 HG3 LYS 40 2HG LYS 40 5.023 4.620 -4.778
272 HD3 LYS 40 2HD LYS 40 5.607 6.832 -3.841
273 HE3 LYS 40 2HE LYS 40 3.572 8.084 -4.612
274 HZ1 LYS 40 3HZ LYS 40 3.514 7.277 -6.828
275 HZ2 LYS 40 1HZ LYS 40 4.268 5.878 -6.502
276 HZ3 LYS 40 2HZ LYS 40 5.058 7.322 -6.387
277 H ALA 41 H ALA 41 3.250 4.907 0.254
278 HA ALA 41 HA ALA 41 0.779 6.543 0.328
279 HB1 ALA 41 1HB ALA 41 1.266 5.036 2.398
280 HB2 ALA 41 2HB ALA 41 2.793 5.909 2.564
281 HB3 ALA 41 3HB ALA 41 1.260 6.764 2.736
282 H VAL 42 H VAL 42 1.112 8.860 0.294
283 HA VAL 42 HA VAL 42 3.869 9.615 -0.519
284 HB VAL 42 HB VAL 42 1.382 11.052 -1.425
285 HG11 VAL 42 1HG1 VAL 42 2.743 11.607 -3.331
286 HG12 VAL 42 2HG1 VAL 42 3.767 11.895 -1.907
287 HG13 VAL 42 3HG1 VAL 42 3.968 10.405 -2.886
288 HG21 VAL 42 3HG2 VAL 42 0.853 8.714 -2.103
289 HG22 VAL 42 1HG2 VAL 42 1.319 9.658 -3.497
290 HG23 VAL 42 2HG2 VAL 42 2.472 8.527 -2.765
291 H ASP 43 H ASP 43 4.606 11.734 0.122
292 HA ASP 43 HA ASP 43 3.346 12.662 2.645
293 HB3 ASP 43 2HB ASP 43 5.673 13.019 3.404
294 H ARG 44 H ARG 44 2.334 14.112 0.972
295 HA ARG 44 HA ARG 44 3.737 16.071 -0.524
296 HB3 ARG 44 2HB ARG 44 1.398 17.151 -0.592
297 HG3 ARG 44 2HG ARG 44 0.422 14.916 -1.668
298 HD3 ARG 44 2HD ARG 44 2.059 15.380 -3.656
299 HE ARG 44 HE ARG 44 0.824 17.948 -3.015
300 HH11 ARG 44 1HH1 ARG 44 0.238 14.658 -4.231
301 HH12 ARG 44 2HH1 ARG 44 -1.317 14.955 -4.841
302 HH21 ARG 44 1HH2 ARG 44 -1.278 18.436 -4.005
303 HH22 ARG 44 2HH2 ARG 44 -2.203 17.096 -4.627
304 H ARG 45 H ARG 45 3.681 16.087 2.882
305 HA ARG 45 HA ARG 45 3.558 19.059 3.050
306 HB3 ARG 45 2HB ARG 45 4.834 18.088 5.380
307 HG3 ARG 45 2HG ARG 45 1.914 18.803 4.923
308 HD3 ARG 45 2HD ARG 45 3.639 18.878 7.444
309 HE ARG 45 HE ARG 45 0.810 19.746 6.995
310 HH11 ARG 45 1HH1 ARG 45 3.840 20.377 8.844
311 HH12 ARG 45 2HH1 ARG 45 3.006 21.331 10.022
312 HH21 ARG 45 1HH2 ARG 45 -0.141 21.059 8.463
313 HH22 ARG 45 2HH2 ARG 45 0.757 21.894 9.701
314 H GLU 46 H GLU 46 6.000 16.401 3.219
315 HA GLU 46 HA GLU 46 8.180 18.393 2.979
316 HB3 GLU 46 2HB GLU 46 9.612 16.341 3.204
317 HG3 GLU 46 2HG GLU 46 7.530 16.600 5.404
318 H GLY 47 H GLY 47 6.162 16.569 0.924
319 HA2 GLY 47 1HA GLY 47 6.100 16.483 -1.381
320 HA3 GLY 47 2HA GLY 47 7.674 17.300 -1.486
321 H THR 48 H THR 48 7.414 14.587 0.715
322 HA THR 48 HA THR 48 9.250 13.033 -0.992
323 HB THR 48 HB THR 48 9.533 11.753 1.231
324 HG1 THR 48 1HG THR 48 7.795 12.601 2.382
325 HG21 THR 48 3HG2 THR 48 11.215 13.401 0.345
326 HG22 THR 48 1HG2 THR 48 11.142 13.357 2.113
327 HG23 THR 48 2HG2 THR 48 10.362 14.689 1.251
328 H ALA 49 H ALA 49 8.815 10.520 -0.409
329 HA ALA 49 HA ALA 49 6.011 9.878 -0.070
330 HB1 ALA 49 1HB ALA 49 5.912 8.455 -2.093
331 HB2 ALA 49 2HB ALA 49 6.257 10.130 -2.577
332 HB3 ALA 49 3HB ALA 49 7.548 8.942 -2.556
333 H ARG 50 H ARG 50 5.885 7.407 0.006
334 HA ARG 50 HA ARG 50 8.412 6.089 0.869
335 HB3 ARG 50 2HB ARG 50 7.086 4.978 2.705
336 HG3 ARG 50 2HG ARG 50 7.159 8.025 2.808
337 HD3 ARG 50 2HD ARG 50 6.824 6.309 5.255
338 HE ARG 50 HE ARG 50 5.898 9.089 4.615
339 HH11 ARG 50 1HH1 ARG 50 8.273 7.225 6.473
340 HH12 ARG 50 2HH1 ARG 50 8.306 8.352 7.802
341 HH21 ARG 50 1HH2 ARG 50 6.168 10.622 6.125
342 HH22 ARG 50 2HH2 ARG 50 7.250 10.493 7.470
343 H LEU 51 H LEU 51 7.952 3.579 0.828
344 HA LEU 51 HA LEU 51 5.581 2.886 -0.744
345 HB3 LEU 51 2HB LEU 51 7.848 1.142 -1.396
346 HG LEU 51 HG LEU 51 5.713 2.629 -2.985
347 HD11 LEU 51 1HD1 LEU 51 7.710 2.729 -4.296
348 HD12 LEU 51 2HD1 LEU 51 6.725 1.419 -4.968
349 HD13 LEU 51 3HD1 LEU 51 8.103 1.042 -3.911
350 HD21 LEU 51 3HD2 LEU 51 6.369 -0.330 -2.886
351 HD22 LEU 51 1HD2 LEU 51 4.965 0.490 -3.661
352 HD23 LEU 51 2HD2 LEU 51 5.081 0.452 -1.896
353 H PHE 52 H PHE 52 4.475 1.402 0.357
354 HA PHE 52 HA PHE 52 5.989 -0.311 2.264
355 HB3 PHE 52 2HB PHE 52 3.820 -0.851 3.253
356 HD1 PHE 52 1HD PHE 52 5.639 0.007 4.894
357 HD2 PHE 52 2HD PHE 52 2.748 2.553 2.971
358 HE1 PHE 52 1HE PHE 52 6.130 1.802 6.516
359 HE2 PHE 52 2HE PHE 52 3.436 4.437 4.451
360 HZ PHE 52 HZ PHE 52 5.077 4.042 6.272
361 H SER 53 H SER 53 5.965 -2.510 1.913
362 HA SER 53 HA SER 53 4.405 -3.535 -0.397
363 HB3 SER 53 2HB SER 53 7.050 -4.718 0.419
364 HG SER 53 HG SER 53 5.342 -5.167 -1.584
365 H GLU 54 H GLU 54 3.925 -5.886 -0.037
366 HA GLU 54 HA GLU 54 3.132 -6.369 2.700
367 HB3 GLU 54 2HB GLU 54 1.751 -6.997 0.769
368 HG3 GLU 54 2HG GLU 54 4.126 -8.270 -0.268
369 H ALA 55 H ALA 55 3.763 -8.218 3.970
370 HA ALA 55 HA ALA 55 5.850 -9.945 3.161
371 HB1 ALA 55 1HB ALA 55 6.300 -8.102 5.556
372 HB2 ALA 55 2HB ALA 55 7.322 -9.466 5.094
373 HB3 ALA 55 3HB ALA 55 7.214 -8.046 4.035
374 H THR 56 H THR 56 6.140 -11.403 5.353
375 HA THR 56 HA THR 56 3.842 -11.270 7.094
376 HB THR 56 HB THR 56 4.168 -14.026 6.261
377 HG1 THR 56 1HG THR 56 4.276 -12.813 4.104
378 HG21 THR 56 3HG2 THR 56 2.352 -13.175 7.661
379 HG22 THR 56 1HG2 THR 56 1.694 -13.930 6.220
380 HG23 THR 56 2HG2 THR 56 1.759 -12.165 6.311
381 H ARG 57 H ARG 57 4.265 -12.115 9.048
382 HA ARG 57 HA ARG 57 7.118 -12.533 9.491
383 HB3 ARG 57 2HB ARG 57 5.915 -10.819 10.581
384 HG3 ARG 57 2HG ARG 57 3.901 -12.602 11.138
385 HD3 ARG 57 2HD ARG 57 5.310 -13.292 13.222
386 HE ARG 57 HE ARG 57 5.475 -10.678 13.801
387 HH11 ARG 57 1HH1 ARG 57 3.363 -13.127 15.372
388 HH12 ARG 57 2HH1 ARG 57 3.417 -12.313 16.903
389 HH21 ARG 57 1HH2 ARG 57 5.423 -9.650 15.872
390 HH22 ARG 57 2HH2 ARG 57 4.613 -10.431 17.201
391 H GLY 58 H GLY 58 7.706 -13.987 11.407
392 HA2 GLY 58 1HA GLY 58 7.641 -16.635 10.759
393 HA3 GLY 58 2HA GLY 58 7.771 -16.087 12.436
394 H ASP 59 H ASP 59 5.340 -15.143 13.041
395 HA ASP 59 HA ASP 59 3.752 -17.513 13.362
396 HB3 ASP 59 2HB ASP 59 2.840 -14.759 14.044
397 H GLY 60 H GLY 60 3.854 -15.755 10.587
398 HA2 GLY 60 1HA GLY 60 2.513 -15.720 8.777
399 HA3 GLY 60 2HA GLY 60 1.284 -16.632 9.651
400 H GLU 61 H GLU 61 2.511 -13.518 10.777
401 HA GLU 61 HA GLU 61 -0.193 -12.339 10.437
402 HB3 GLU 61 2HB GLU 61 1.922 -10.688 11.716
403 HG3 GLU 61 2HG GLU 61 -0.663 -10.520 11.693
404 H ARG 62 H ARG 62 -0.525 -10.926 8.724
405 HA ARG 62 HA ARG 62 1.714 -10.080 7.051
406 HB3 ARG 62 2HB ARG 62 -1.266 -9.446 6.927
407 HG3 ARG 62 2HG ARG 62 0.971 -8.723 5.117
408 HD3 ARG 62 2HD ARG 62 -0.513 -9.122 3.116
409 HE ARG 62 HE ARG 62 1.073 -11.164 4.479
410 HH11 ARG 62 1HH1 ARG 62 -0.567 -10.293 1.444
411 HH12 ARG 62 2HH1 ARG 62 0.552 -11.191 0.510
412 HH21 ARG 62 1HH2 ARG 62 2.307 -12.619 3.184
413 HH22 ARG 62 2HH2 ARG 62 2.086 -12.591 1.475
414 H PHE 63 H PHE 63 2.258 -7.895 6.581
415 HA PHE 63 HA PHE 63 1.327 -5.734 8.258
416 HB3 PHE 63 2HB PHE 63 2.907 -6.776 9.753
417 HD1 PHE 63 1HD PHE 63 3.831 -8.955 8.709
418 HD2 PHE 63 2HD PHE 63 5.774 -5.093 8.240
419 HE1 PHE 63 1HE PHE 63 6.050 -10.039 8.393
420 HE2 PHE 63 2HE PHE 63 7.953 -6.252 8.035
421 HZ PHE 63 HZ PHE 63 8.076 -8.681 8.080
422 H TRP 64 H TRP 64 2.630 -3.682 7.645
423 HA TRP 64 HA TRP 64 3.468 -3.659 4.805
424 HB3 TRP 64 2HB TRP 64 2.820 -1.210 5.107
425 HD1 TRP 64 HD TRP 64 -0.334 -2.158 6.534
426 HE1 TRP 64 1HE TRP 64 -2.003 -2.889 4.711
427 HE3 TRP 64 3HE TRP 64 2.935 -2.874 2.712
428 HZ2 TRP 64 2HZ TRP 64 -1.918 -3.550 1.894
429 HZ3 TRP 64 3HZ TRP 64 2.166 -3.629 0.505
430 HH2 TRP 64 HH TRP 64 -0.248 -3.955 0.073
431 H MET 65 H MET 65 5.709 -4.002 5.098
432 HA MET 65 HA MET 65 7.216 -1.992 6.732
433 HB3 MET 65 2HB MET 65 7.660 -4.427 6.986
434 HG3 MET 65 2HG MET 65 7.754 -4.434 4.094
435 HE1 MET 65 3HE MET 65 10.050 -6.716 6.003
436 HE2 MET 65 1HE MET 65 11.673 -6.027 5.817
437 HE3 MET 65 2HE MET 65 10.487 -5.205 6.846
438 H GLN 66 H GLN 66 9.432 -1.433 5.637
439 HA GLN 66 HA GLN 66 8.775 -0.415 2.953
440 HB3 GLN 66 2HB GLN 66 10.130 1.512 3.555
441 HG3 GLN 66 2HG GLN 66 8.250 0.807 5.856
442 HE21 GLN 66 1HE2 GLN 66 7.152 3.550 4.686
443 HE22 GLN 66 2HE2 GLN 66 8.200 4.707 5.556
444 HA PRO 67 HA PRO 67 12.501 -3.001 2.152
445 HB3 PRO 67 2HB PRO 67 11.183 -4.714 1.315
446 HG3 PRO 67 2HG PRO 67 9.141 -4.260 0.195
447 HD3 PRO 67 2HD PRO 67 9.002 -3.336 2.376
448 H VAL 68 H VAL 68 11.166 -0.139 0.763
449 HA VAL 68 HA VAL 68 13.706 0.273 -0.663
450 HB VAL 68 HB VAL 68 12.255 -0.001 -2.424
451 HG11 VAL 68 1HG1 VAL 68 10.245 1.814 -1.116
452 HG12 VAL 68 2HG1 VAL 68 10.175 1.228 -2.798
453 HG13 VAL 68 3HG1 VAL 68 10.094 0.074 -1.471
454 HG21 VAL 68 3HG2 VAL 68 12.511 3.009 -2.007
455 HG22 VAL 68 1HG2 VAL 68 13.796 1.934 -2.585
456 HG23 VAL 68 2HG2 VAL 68 12.341 2.154 -3.561
457 H ARG 69 H ARG 69 14.779 1.353 0.782
458 HA ARG 69 HA ARG 69 13.522 3.570 2.334
459 HB3 ARG 69 2HB ARG 69 15.984 1.913 2.852
460 HG3 ARG 69 2HG ARG 69 15.368 2.588 5.299
461 HD3 ARG 69 2HD ARG 69 16.590 4.804 3.642
462 HE ARG 69 HE ARG 69 17.254 3.750 6.349
463 HH11 ARG 69 1HH1 ARG 69 16.764 6.559 4.240
464 HH12 ARG 69 2HH1 ARG 69 17.723 7.656 5.154
465 HH21 ARG 69 1HH2 ARG 69 18.598 5.195 7.590
466 HH22 ARG 69 2HH2 ARG 69 18.647 6.871 7.225
467 H SER 70 H SER 70 13.726 4.790 0.349
468 HA SER 70 HA SER 70 16.052 6.525 0.341
469 HB3 SER 70 2HB SER 70 15.864 6.268 -2.268
470 HG SER 70 HG SER 70 17.325 4.503 -2.315
471 H THR 71 H THR 71 15.390 8.570 -0.543
472 HA THR 71 HA THR 71 12.501 8.953 -0.816
473 HB THR 71 HB THR 71 13.352 11.422 -0.762
474 HG1 THR 71 1HG THR 71 15.608 10.766 -1.207
475 HG21 THR 71 3HG2 THR 71 13.601 11.349 1.661
476 HG22 THR 71 1HG2 THR 71 13.850 9.585 1.612
477 HG23 THR 71 2HG2 THR 71 12.281 10.286 1.151
478 H PHE 72 H PHE 72 14.755 8.174 -3.159
479 HA PHE 72 HA PHE 72 14.173 10.226 -5.135
480 HB3 PHE 72 2HB PHE 72 15.091 8.492 -6.747
481 HD1 PHE 72 1HD PHE 72 16.174 10.884 -6.544
482 HD2 PHE 72 2HD PHE 72 17.372 7.445 -4.228
483 HE1 PHE 72 1HE PHE 72 18.341 11.989 -6.026
484 HE2 PHE 72 2HE PHE 72 19.533 8.546 -3.727
485 HZ PHE 72 HZ PHE 72 20.015 10.826 -4.605
486 H GLU 73 H GLU 73 12.171 10.514 -6.052
487 HA GLU 73 HA GLU 73 10.043 8.690 -5.904
488 HB3 GLU 73 2HB GLU 73 8.825 10.039 -7.143
489 HG3 GLU 73 2HG GLU 73 11.125 11.987 -6.983
490 HA PRO 74 HA PRO 74 10.942 6.898 -10.206
491 HB3 PRO 74 2HB PRO 74 12.040 8.483 -11.515
492 HG3 PRO 74 2HG PRO 74 14.022 9.607 -10.703
493 HD3 PRO 74 2HD PRO 74 12.166 10.126 -9.293
494 H ASP 75 H ASP 75 12.721 6.458 -7.440
495 HA ASP 75 HA ASP 75 13.707 3.759 -8.282
496 HB3 ASP 75 2HB ASP 75 14.739 3.720 -6.042
497 H LEU 76 H LEU 76 11.288 5.585 -6.475
498 HA LEU 76 HA LEU 76 10.298 3.340 -4.885
499 HB3 LEU 76 2HB LEU 76 8.335 4.973 -4.511
500 HG LEU 76 HG LEU 76 11.113 6.017 -3.866
501 HD11 LEU 76 1HD1 LEU 76 8.411 6.904 -2.783
502 HD12 LEU 76 2HD1 LEU 76 9.439 7.838 -3.887
503 HD13 LEU 76 3HD1 LEU 76 10.004 7.489 -2.240
504 HD21 LEU 76 3HD2 LEU 76 10.437 3.843 -2.756
505 HD22 LEU 76 1HD2 LEU 76 9.071 4.730 -2.034
506 HD23 LEU 76 2HD2 LEU 76 10.738 5.178 -1.635
507 H ASP 77 H ASP 77 8.942 5.237 -7.690
508 HA ASP 77 HA ASP 77 6.883 3.262 -7.969
509 HB3 ASP 77 2HB ASP 77 6.719 4.366 -10.384
510 H ALA 78 H ALA 78 10.113 3.210 -9.079
511 HA ALA 78 HA ALA 78 9.955 1.216 -11.131
512 HB1 ALA 78 1HB ALA 78 12.155 1.769 -9.086
513 HB2 ALA 78 2HB ALA 78 12.325 0.855 -10.594
514 HB3 ALA 78 3HB ALA 78 11.965 2.589 -10.654
515 H TYR 79 H TYR 79 9.940 1.018 -7.555
516 HA TYR 79 HA TYR 79 10.330 -1.784 -7.245
517 HB3 TYR 79 2HB TYR 79 8.485 0.023 -5.666
518 HD1 TYR 79 2HD TYR 79 7.108 -2.001 -5.227
519 HD2 TYR 79 1HD TYR 79 11.248 -1.714 -4.058
520 HE1 TYR 79 2HE TYR 79 6.970 -4.253 -4.130
521 HE2 TYR 79 1HE TYR 79 11.033 -3.796 -2.750
522 HH TYR 79 HH TYR 79 8.155 -5.909 -3.119
523 H ALA 80 H ALA 80 7.394 0.210 -7.627
524 HA ALA 80 HA ALA 80 5.561 -1.970 -7.610
525 HB1 ALA 80 1HB ALA 80 3.915 -0.246 -8.291
526 HB2 ALA 80 2HB ALA 80 4.941 0.338 -6.969
527 HB3 ALA 80 3HB ALA 80 5.232 0.888 -8.632
528 H GLU 81 H GLU 81 7.534 -0.626 -10.213
529 HA GLU 81 HA GLU 81 5.926 -1.665 -12.397
530 HB3 GLU 81 2HB GLU 81 8.148 -1.471 -13.629
531 HG3 GLU 81 2HG GLU 81 7.162 1.070 -12.268
532 H ARG 82 H ARG 82 8.930 -2.590 -10.673
533 HA ARG 82 HA ARG 82 9.284 -4.982 -12.024
534 HB3 ARG 82 2HB ARG 82 10.202 -4.031 -9.285
535 HG3 ARG 82 2HG ARG 82 11.153 -6.559 -10.728
536 HD3 ARG 82 2HD ARG 82 12.438 -6.675 -8.431
537 HE ARG 82 HE ARG 82 13.270 -5.427 -10.918
538 HH11 ARG 82 1HH1 ARG 82 14.406 -6.428 -7.645
539 HH12 ARG 82 2HH1 ARG 82 16.061 -6.485 -8.154
540 HH21 ARG 82 1HH2 ARG 82 15.554 -5.189 -11.327
541 HH22 ARG 82 2HH2 ARG 82 16.674 -5.923 -10.224
542 H ALA 83 H ALA 83 7.762 -4.531 -8.819
543 HA ALA 83 HA ALA 83 7.369 -7.283 -8.437
544 HB1 ALA 83 1HB ALA 83 7.165 -5.503 -6.640
545 HB2 ALA 83 2HB ALA 83 5.643 -4.989 -7.374
546 HB3 ALA 83 3HB ALA 83 5.772 -6.604 -6.640
547 H ALA 84 H ALA 84 5.333 -4.972 -10.060
548 HA ALA 84 HA ALA 84 3.001 -6.702 -10.111
549 HB1 ALA 84 1HB ALA 84 3.633 -4.128 -11.624
550 HB2 ALA 84 2HB ALA 84 2.024 -4.854 -11.431
551 HB3 ALA 84 3HB ALA 84 2.872 -4.229 -10.015
552 H ARG 85 H ARG 85 5.894 -6.815 -11.870
553 HA ARG 85 HA ARG 85 4.579 -7.686 -14.397
554 HB3 ARG 85 2HB ARG 85 6.775 -6.243 -14.131
555 HG3 ARG 85 2HG ARG 85 7.791 -9.053 -14.482
556 HD3 ARG 85 2HD ARG 85 9.557 -6.673 -13.902
557 HE ARG 85 HE ARG 85 11.017 -8.404 -14.258
558 HH11 ARG 85 1HH1 ARG 85 8.510 -8.535 -16.766
559 HH12 ARG 85 2HH1 ARG 85 9.192 -9.923 -17.560
560 HH21 ARG 85 1HH2 ARG 85 11.899 -10.324 -15.345
561 HH22 ARG 85 2HH2 ARG 85 11.060 -10.969 -16.709
562 H ILE 86 H ILE 86 5.491 -9.078 -11.426
563 HA ILE 86 HA ILE 86 5.769 -11.816 -12.588
564 HB ILE 86 HB ILE 86 6.708 -10.520 -10.005
565 HG13 ILE 86 2HG1 ILE 86 7.959 -10.415 -12.453
566 HG21 ILE 86 1HG2 ILE 86 7.869 -12.674 -9.498
567 HG22 ILE 86 2HG2 ILE 86 6.118 -12.787 -9.415
568 HG23 ILE 86 3HG2 ILE 86 6.968 -13.435 -10.829
569 HD11 ILE 86 3HD1 ILE 86 8.683 -9.225 -10.406
570 HD12 ILE 86 1HD1 ILE 86 9.399 -10.737 -9.797
571 HD13 ILE 86 2HD1 ILE 86 10.041 -9.979 -11.268
572 H ASP 87 H ASP 87 3.994 -9.745 -10.323
573 HA ASP 87 HA ASP 87 2.108 -11.930 -9.637
574 HB3 ASP 87 2HB ASP 87 1.244 -10.099 -8.090
575 HA PRO 88 HA PRO 88 -0.105 -9.401 -12.856
576 HB3 PRO 88 2HB PRO 88 0.024 -11.123 -14.419
577 HG3 PRO 88 2HG PRO 88 0.096 -13.407 -13.707
578 HD3 PRO 88 2HD PRO 88 1.903 -12.292 -12.672
579 H ASP 89 H ASP 89 -0.851 -11.161 -10.040
580 HA ASP 89 HA ASP 89 -3.651 -10.244 -9.915
581 HB3 ASP 89 2HB ASP 89 -3.540 -11.918 -7.866
582 H ILE 90 H ILE 90 -0.880 -8.714 -9.272
583 HA ILE 90 HA ILE 90 -1.320 -8.107 -6.469
584 HB ILE 90 HB ILE 90 0.863 -8.030 -7.763
585 HG13 ILE 90 2HG1 ILE 90 0.367 -7.088 -5.407
586 HG21 ILE 90 1HG2 ILE 90 0.167 -6.643 -9.670
587 HG22 ILE 90 2HG2 ILE 90 -0.082 -5.261 -8.583
588 HG23 ILE 90 3HG2 ILE 90 1.532 -5.934 -8.797
589 HD11 ILE 90 3HD1 ILE 90 2.634 -7.673 -6.262
590 HD12 ILE 90 1HD1 ILE 90 2.790 -6.014 -6.888
591 HD13 ILE 90 2HD1 ILE 90 2.620 -6.304 -5.147
592 H TRP 91 H TRP 91 -1.985 -6.058 -5.652
593 HA TRP 91 HA TRP 91 -3.630 -4.295 -7.412
594 HB3 TRP 91 2HB TRP 91 -4.673 -3.652 -5.172
595 HD1 TRP 91 HD TRP 91 -4.458 -7.489 -5.787
596 HE1 TRP 91 1HE TRP 91 -6.811 -8.409 -6.060
597 HE3 TRP 91 3HE TRP 91 -7.036 -3.107 -5.660
598 HZ2 TRP 91 2HZ TRP 91 -9.520 -7.350 -6.337
599 HZ3 TRP 91 3HZ TRP 91 -9.528 -3.063 -5.905
600 HH2 TRP 91 HH TRP 91 -10.774 -5.195 -6.206
601 H VAL 92 H VAL 92 -3.500 -1.940 -6.732
602 HA VAL 92 HA VAL 92 -0.967 -1.225 -5.370
603 HB VAL 92 HB VAL 92 -1.845 -0.228 -8.104
604 HG11 VAL 92 1HG1 VAL 92 0.304 0.991 -8.136
605 HG12 VAL 92 2HG1 VAL 92 -0.711 1.554 -6.806
606 HG13 VAL 92 3HG1 VAL 92 0.643 0.464 -6.475
607 HG21 VAL 92 3HG2 VAL 92 0.164 -1.246 -8.990
608 HG22 VAL 92 1HG2 VAL 92 0.639 -1.846 -7.370
609 HG23 VAL 92 2HG2 VAL 92 -0.769 -2.514 -8.206
610 H VAL 93 H VAL 93 -1.462 0.065 -3.814
611 HA VAL 93 HA VAL 93 -3.893 1.737 -3.803
612 HB VAL 93 HB VAL 93 -1.979 0.681 -1.703
613 HG11 VAL 93 1HG1 VAL 93 -4.535 2.002 -0.941
614 HG12 VAL 93 2HG1 VAL 93 -3.068 1.671 0.013
615 HG13 VAL 93 3HG1 VAL 93 -3.044 2.940 -1.177
616 HG21 VAL 93 3HG2 VAL 93 -4.861 -0.173 -2.114
617 HG22 VAL 93 1HG2 VAL 93 -3.433 -1.119 -2.538
618 HG23 VAL 93 2HG2 VAL 93 -3.758 -0.731 -0.846
619 H GLU 94 H GLU 94 -3.544 3.913 -4.059
620 HA GLU 94 HA GLU 94 -0.918 5.081 -3.294
621 HB3 GLU 94 2HB GLU 94 -1.683 6.817 -5.072
622 HG3 GLU 94 2HG GLU 94 -1.197 5.213 -7.055
623 H ILE 95 H ILE 95 -1.016 6.596 -1.759
624 HA ILE 95 HA ILE 95 -3.663 7.716 -0.998
625 HB ILE 95 HB ILE 95 -1.364 7.056 0.909
626 HG13 ILE 95 2HG1 ILE 95 -2.300 5.089 1.671
627 HG21 ILE 95 1HG2 ILE 95 -3.176 7.153 2.628
628 HG22 ILE 95 2HG2 ILE 95 -2.847 8.687 1.820
629 HG23 ILE 95 3HG2 ILE 95 -4.285 7.751 1.365
630 HD11 ILE 95 3HD1 ILE 95 -4.177 3.923 0.666
631 HD12 ILE 95 1HD1 ILE 95 -4.761 5.507 1.183
632 HD13 ILE 95 2HD1 ILE 95 -4.362 5.213 -0.530
633 H GLU 96 H GLU 96 -3.348 9.847 -1.970
634 HA GLU 96 HA GLU 96 -0.852 11.284 -1.464
635 HB3 GLU 96 2HB GLU 96 -1.944 13.275 -2.117
636 HG3 GLU 96 2HG GLU 96 -3.106 11.194 -3.960
637 H ASP 97 H ASP 97 -0.278 11.842 0.586
638 HA ASP 97 HA ASP 97 -2.265 13.291 2.193
639 HB3 ASP 97 2HB ASP 97 -0.555 11.472 3.799
640 H ARG 98 H ARG 98 -1.069 14.148 4.142
641 HA ARG 98 HA ARG 98 1.114 15.793 3.075
642 HB3 ARG 98 2HB ARG 98 -0.240 17.124 4.293
643 HG3 ARG 98 2HG ARG 98 -0.666 14.805 6.180
644 HD3 ARG 98 2HD ARG 98 -0.927 17.710 6.782
645 HE ARG 98 HE ARG 98 -3.153 17.544 6.944
646 HH11 ARG 98 1HH1 ARG 98 -1.870 14.433 8.053
647 HH12 ARG 98 2HH1 ARG 98 -3.398 13.627 7.975
648 HH21 ARG 98 1HH2 ARG 98 -5.200 16.429 6.874
649 HH22 ARG 98 2HH2 ARG 98 -5.342 14.901 7.692
650 H ASP 99 H ASP 99 0.758 13.827 6.047
651 HA ASP 99 HA ASP 99 3.679 13.309 6.083
652 HB3 ASP 99 2HB ASP 99 3.358 12.850 8.435
653 H GLY 100 H GLY 100 2.487 11.880 4.189
654 HA2 GLY 100 1HA GLY 100 2.787 9.791 3.421
655 HA3 GLY 100 2HA GLY 100 3.603 9.534 4.937
656 H ARG 101 H ARG 101 0.133 10.157 5.033
657 HA ARG 101 HA ARG 101 -0.154 8.223 6.979
658 HB3 ARG 101 2HB ARG 101 -2.684 8.786 5.662
659 HG3 ARG 101 2HG ARG 101 -3.199 9.783 7.863
660 HD3 ARG 101 2HD ARG 101 -1.658 7.202 8.343
661 HE ARG 101 HE ARG 101 -3.664 8.653 9.840
662 HH11 ARG 101 1HH1 ARG 101 -2.367 5.296 9.323
663 HH12 ARG 101 2HH1 ARG 101 -3.036 4.746 10.802
664 HH21 ARG 101 1HH2 ARG 101 -4.390 7.860 11.816
665 HH22 ARG 101 2HH2 ARG 101 -3.934 6.265 12.355
666 H HIS 102 H HIS 102 0.290 6.354 6.971
667 HA HIS 102 HA HIS 102 -0.754 4.594 4.891
668 HB3 HIS 102 2HB HIS 102 1.442 3.997 5.206
669 HD1 HIS 102 1HD HIS 102 0.814 3.617 9.008
670 HD2 HIS 102 2HD HIS 102 3.166 5.890 6.370
671 HE1 HIS 102 1HE HIS 102 2.468 4.916 10.458
672 H PHE 103 H PHE 103 -2.559 5.176 5.398
673 HA PHE 103 HA PHE 103 -4.004 4.889 7.840
674 HB3 PHE 103 2HB PHE 103 -6.104 4.561 6.046
675 HD1 PHE 103 2HD PHE 103 -6.371 5.919 8.297
676 HD2 PHE 103 1HD PHE 103 -4.384 7.377 4.770
677 HE1 PHE 103 2HE PHE 103 -6.788 8.274 9.038
678 HE2 PHE 103 1HE PHE 103 -5.012 9.711 5.411
679 HZ PHE 103 HZ PHE 103 -6.113 10.158 7.583
680 H LEU 104 H LEU 104 -2.562 2.392 6.456
681 HA LEU 104 HA LEU 104 -4.430 0.696 5.454
682 HB3 LEU 104 2HB LEU 104 -2.653 -0.976 5.476
683 HG LEU 104 HG LEU 104 -1.093 0.230 4.048
684 HD11 LEU 104 1HD1 LEU 104 -2.308 1.644 2.633
685 HD12 LEU 104 2HD1 LEU 104 -3.332 2.181 3.968
686 HD13 LEU 104 3HD1 LEU 104 -3.495 0.526 3.295
687 HD21 LEU 104 3HD2 LEU 104 -1.046 2.121 5.963
688 HD22 LEU 104 1HD2 LEU 104 -0.602 2.535 4.246
689 HD23 LEU 104 2HD2 LEU 104 0.174 1.205 5.098
690 H THR 105 H THR 105 -5.126 -1.428 6.002
691 HA THR 105 HA THR 105 -6.572 -1.453 8.487
692 HB THR 105 HB THR 105 -7.367 -3.672 7.483
693 HG1 THR 105 1HG THR 105 -5.822 -4.311 6.054
694 HG21 THR 105 3HG2 THR 105 -8.691 -2.661 5.755
695 HG22 THR 105 1HG2 THR 105 -7.570 -1.313 5.583
696 HG23 THR 105 2HG2 THR 105 -8.533 -1.485 7.057
697 H GLU 106 H GLU 106 -3.411 -1.896 8.359
698 HA GLU 106 HA GLU 106 -3.095 -4.455 9.768
699 HB3 GLU 106 2HB GLU 106 -1.379 -4.980 7.918
700 HG3 GLU 106 2HG GLU 106 -4.351 -4.831 7.245
701 HA PRO 107 HA PRO 107 0.052 -1.956 11.665
702 HB3 PRO 107 2HB PRO 107 0.423 -3.752 13.094
703 HG3 PRO 107 2HG PRO 107 0.636 -5.979 12.252
704 HD3 PRO 107 2HD PRO 107 -1.438 -5.195 11.456
705 H VAL 108 H VAL 108 2.201 -1.035 11.401
706 HA VAL 108 HA VAL 108 3.237 -1.310 8.649
707 HB VAL 108 HB VAL 108 2.636 1.361 9.927
708 HG11 VAL 108 1HG1 VAL 108 4.405 1.251 8.178
709 HG12 VAL 108 2HG1 VAL 108 3.232 0.555 7.052
710 HG13 VAL 108 3HG1 VAL 108 3.014 2.200 7.660
711 HG21 VAL 108 3HG2 VAL 108 0.452 0.348 9.582
712 HG22 VAL 108 1HG2 VAL 108 0.729 1.538 8.310
713 HG23 VAL 108 2HG2 VAL 108 0.906 -0.188 7.956
714 H GLU 109 H GLU 109 5.329 -1.522 8.644
715 HA GLU 109 HA GLU 109 7.071 -1.044 10.982
716 HB3 GLU 109 2HB GLU 109 8.591 -2.427 9.258
717 HG3 GLU 109 2HG GLU 109 6.534 -4.272 10.138
718 H SER 110 H SER 110 9.425 -0.769 9.712
719 HA SER 110 HA SER 110 9.270 1.886 8.397
720 HB3 SER 110 2HB SER 110 11.126 0.992 10.638
721 HG SER 110 HG SER 110 11.873 2.429 8.999
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