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 |
|
|
26528 |
2klx   |
16403 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -3 H GLY -3 1.811 -0.001 0.854
2 HA2 GLY -3 1HA GLY -3 1.691 -0.786 -1.880
3 HA3 GLY -3 2HA GLY -3 1.922 0.950 -1.741
4 HA PRO -2 HA PRO -2 6.036 -1.310 -1.564
5 HB2 PRO -2 1HB PRO -2 7.122 -0.115 -3.747
6 HB3 PRO -2 2HB PRO -2 6.180 -1.608 -3.838
7 HG2 PRO -2 1HG PRO -2 5.326 1.207 -4.393
8 HG3 PRO -2 2HG PRO -2 4.964 -0.271 -5.302
9 HD2 PRO -2 1HD PRO -2 3.199 0.852 -3.583
10 HD3 PRO -2 2HD PRO -2 3.286 -0.901 -3.853
11 H GLY -1 H GLY -1 8.212 -0.256 -1.421
12 HA2 GLY -1 1HA GLY -1 7.954 2.230 0.056
13 HA3 GLY -1 2HA GLY -1 9.399 1.237 -0.076
14 H SER 0 H SER 0 10.094 3.664 -0.255
15 HA SER 0 HA SER 0 10.856 4.058 -2.996
16 HB2 SER 0 1HB SER 0 8.900 5.925 -1.667
17 HB3 SER 0 2HB SER 0 9.967 6.478 -2.958
18 HG SER 0 HG SER 0 9.022 5.017 -4.344
19 H MET 1 H MET 1 12.923 4.598 -2.887
20 HA MET 1 HA MET 1 13.794 6.465 -0.791
21 HB2 MET 1 1HB MET 1 15.853 5.165 -0.481
22 HB3 MET 1 2HB MET 1 14.427 4.217 -0.077
23 HG2 MET 1 1HG MET 1 14.605 3.342 -2.495
24 HG3 MET 1 2HG MET 1 16.250 3.970 -2.431
25 HE1 MET 1 3HE MET 1 17.277 2.626 0.923
26 HE2 MET 1 1HE MET 1 18.277 2.094 -0.429
27 HE3 MET 1 2HE MET 1 17.604 3.724 -0.419
28 H LYS 2 H LYS 2 15.110 8.057 -1.469
29 HA LYS 2 HA LYS 2 15.734 8.168 -4.311
30 HB2 LYS 2 1HB LYS 2 15.526 10.143 -2.097
31 HB3 LYS 2 2HB LYS 2 16.620 10.528 -3.419
32 HG2 LYS 2 1HG LYS 2 14.639 11.522 -4.071
33 HG3 LYS 2 2HG LYS 2 14.614 9.988 -4.944
34 HD2 LYS 2 1HD LYS 2 13.382 10.046 -2.245
35 HD3 LYS 2 2HD LYS 2 12.525 10.875 -3.546
36 HE2 LYS 2 1HE LYS 2 13.547 8.127 -4.048
37 HE3 LYS 2 2HE LYS 2 12.123 8.315 -3.026
38 HZ1 LYS 2 3HZ LYS 2 10.863 8.764 -4.784
39 HZ2 LYS 2 1HZ LYS 2 12.148 8.239 -5.752
40 HZ3 LYS 2 2HZ LYS 2 11.965 9.885 -5.410
41 H GLU 3 H GLU 3 17.924 9.449 -4.715
42 HA GLU 3 HA GLU 3 20.047 8.271 -3.065
43 HB2 GLU 3 1HB GLU 3 21.310 7.651 -5.067
44 HB3 GLU 3 2HB GLU 3 19.761 6.820 -5.014
45 HG2 GLU 3 1HG GLU 3 18.960 8.805 -6.496
46 HG3 GLU 3 2HG GLU 3 20.681 8.999 -6.828
47 H ILE 4 H ILE 4 21.962 9.447 -2.963
48 HA ILE 4 HA ILE 4 21.730 12.218 -3.911
49 HB ILE 4 HB ILE 4 22.011 11.793 -1.449
50 HG12 ILE 4 1HG1 ILE 4 22.808 13.866 -2.873
51 HG13 ILE 4 2HG1 ILE 4 23.212 13.742 -1.164
52 HG21 ILE 4 1HG2 ILE 4 23.528 9.917 -1.539
53 HG22 ILE 4 2HG2 ILE 4 24.755 10.908 -2.326
54 HG23 ILE 4 3HG2 ILE 4 24.286 11.245 -0.660
55 HD11 ILE 4 3HD1 ILE 4 25.104 12.635 -3.174
56 HD12 ILE 4 1HD1 ILE 4 25.023 14.380 -2.933
57 HD13 ILE 4 2HD1 ILE 4 25.420 13.319 -1.580
58 H ILE 5 H ILE 5 23.243 13.132 -5.204
59 HA ILE 5 HA ILE 5 25.611 11.530 -5.899
60 HB ILE 5 HB ILE 5 24.172 13.132 -7.987
61 HG12 ILE 5 1HG1 ILE 5 23.656 10.244 -7.249
62 HG13 ILE 5 2HG1 ILE 5 22.509 11.573 -7.130
63 HG21 ILE 5 1HG2 ILE 5 25.764 12.365 -9.336
64 HG22 ILE 5 2HG2 ILE 5 26.578 11.732 -7.907
65 HG23 ILE 5 3HG2 ILE 5 25.479 10.702 -8.824
66 HD11 ILE 5 3HD1 ILE 5 21.876 10.491 -9.069
67 HD12 ILE 5 1HD1 ILE 5 22.875 11.816 -9.666
68 HD13 ILE 5 2HD1 ILE 5 23.541 10.186 -9.563
69 H LEU 6 H LEU 6 27.450 12.630 -5.742
70 HA LEU 6 HA LEU 6 27.311 15.563 -5.598
71 HB2 LEU 6 1HB LEU 6 29.668 15.208 -4.580
72 HB3 LEU 6 2HB LEU 6 28.235 14.891 -3.604
73 HG LEU 6 HG LEU 6 29.238 12.538 -5.026
74 HD11 LEU 6 1HD1 LEU 6 30.933 13.753 -2.850
75 HD12 LEU 6 2HD1 LEU 6 31.365 13.697 -4.559
76 HD13 LEU 6 3HD1 LEU 6 31.186 12.200 -3.645
77 HD21 LEU 6 3HD2 LEU 6 27.692 13.157 -2.777
78 HD22 LEU 6 1HD2 LEU 6 29.152 12.387 -2.156
79 HD23 LEU 6 2HD2 LEU 6 28.159 11.556 -3.352
80 H TYR 7 H TYR 7 28.195 16.737 -7.165
81 HA TYR 7 HA TYR 7 29.922 15.377 -9.116
82 HB2 TYR 7 1HB TYR 7 28.218 17.861 -9.362
83 HB3 TYR 7 2HB TYR 7 29.316 17.297 -10.617
84 HD1 TYR 7 HD1 TYR 7 28.836 15.228 -11.850
85 HD2 TYR 7 HD2 TYR 7 26.118 16.759 -8.956
86 HE1 TYR 7 HE1 TYR 7 27.069 13.771 -12.747
87 HE2 TYR 7 HE2 TYR 7 24.345 15.304 -9.844
88 HH TYR 7 HH TYR 7 24.460 12.906 -11.243
89 H THR 8 H THR 8 32.002 15.663 -8.632
90 HA THR 8 HA THR 8 33.265 18.147 -8.835
91 HB THR 8 HB THR 8 34.046 17.782 -6.201
92 HG1 THR 8 HG1 THR 8 32.096 16.445 -6.000
93 HG21 THR 8 3HG2 THR 8 33.253 19.836 -7.761
94 HG22 THR 8 1HG2 THR 8 33.495 19.971 -6.020
95 HG23 THR 8 2HG2 THR 8 31.873 19.725 -6.669
96 H ARG 9 H ARG 9 35.589 17.963 -7.690
97 HA ARG 9 HA ARG 9 36.700 15.494 -8.739
98 HB2 ARG 9 1HB ARG 9 38.899 16.651 -8.183
99 HB3 ARG 9 2HB ARG 9 37.897 17.416 -9.409
100 HG2 ARG 9 1HG ARG 9 37.260 19.148 -7.978
101 HG3 ARG 9 2HG ARG 9 37.771 18.264 -6.538
102 HD2 ARG 9 1HD ARG 9 40.116 18.432 -7.337
103 HD3 ARG 9 2HD ARG 9 39.550 19.432 -8.674
104 HE ARG 9 HE ARG 9 38.649 20.569 -6.284
105 HH11 ARG 9 1HH1 ARG 9 41.634 19.974 -7.974
106 HH12 ARG 9 2HH1 ARG 9 42.446 21.342 -7.289
107 HH21 ARG 9 1HH2 ARG 9 39.707 22.373 -5.375
108 HH22 ARG 9 2HH2 ARG 9 41.350 22.706 -5.810
109 HA PRO 10 HA PRO 10 37.422 13.443 -4.929
110 HB2 PRO 10 1HB PRO 10 39.853 12.307 -5.345
111 HB3 PRO 10 2HB PRO 10 38.380 11.743 -6.142
112 HG2 PRO 10 1HG PRO 10 40.537 13.533 -7.194
113 HG3 PRO 10 2HG PRO 10 39.701 12.194 -8.002
114 HD2 PRO 10 1HD PRO 10 39.058 14.788 -8.438
115 HD3 PRO 10 2HD PRO 10 37.857 13.482 -8.504
116 H ASN 11 H ASN 11 39.371 16.034 -5.903
117 HA ASN 11 HA ASN 11 40.918 16.025 -3.412
118 HB2 ASN 11 1HB ASN 11 41.231 17.992 -5.674
119 HB3 ASN 11 2HB ASN 11 42.399 17.567 -4.426
120 HD21 ASN 11 2HD2 ASN 11 43.023 15.197 -4.434
121 HD22 ASN 11 1HD2 ASN 11 43.330 14.493 -5.981
122 H CYS 12 H CYS 12 38.416 16.457 -2.759
123 HA CYS 12 HA CYS 12 38.135 19.379 -2.502
124 HB2 CYS 12 1HB CYS 12 35.689 18.817 -2.025
125 HB3 CYS 12 2HB CYS 12 36.239 18.610 -3.684
126 HA PRO 13 HA PRO 13 39.138 18.158 1.751
127 HB2 PRO 13 1HB PRO 13 39.916 20.649 2.500
128 HB3 PRO 13 2HB PRO 13 40.974 19.534 1.628
129 HG2 PRO 13 1HG PRO 13 39.354 21.821 0.577
130 HG3 PRO 13 2HG PRO 13 41.016 21.351 0.178
131 HD2 PRO 13 1HD PRO 13 38.910 20.751 -1.415
132 HD3 PRO 13 2HD PRO 13 40.333 19.699 -1.277
133 H TYR 14 H TYR 14 36.765 20.127 0.388
134 HA TYR 14 HA TYR 14 35.606 20.810 2.998
135 HB2 TYR 14 1HB TYR 14 34.058 22.253 1.617
136 HB3 TYR 14 2HB TYR 14 35.753 22.727 1.587
137 HD1 TYR 14 HD1 TYR 14 37.090 22.443 -0.433
138 HD2 TYR 14 HD2 TYR 14 32.974 21.369 -0.360
139 HE1 TYR 14 HE1 TYR 14 37.075 22.355 -2.891
140 HE2 TYR 14 HE2 TYR 14 32.948 21.276 -2.818
141 HH TYR 14 HH TYR 14 34.401 22.430 -4.717
142 H CYS 15 H CYS 15 34.884 19.203 -0.065
143 HA CYS 15 HA CYS 15 32.228 18.528 0.372
144 HB2 CYS 15 1HB CYS 15 32.456 16.966 -1.364
145 HB3 CYS 15 2HB CYS 15 33.686 18.174 -1.721
146 H LYS 16 H LYS 16 35.084 17.303 1.862
147 HA LYS 16 HA LYS 16 34.417 14.761 2.646
148 HB2 LYS 16 1HB LYS 16 36.002 16.948 3.919
149 HB3 LYS 16 2HB LYS 16 35.651 15.508 4.867
150 HG2 LYS 16 1HG LYS 16 36.852 14.121 3.417
151 HG3 LYS 16 2HG LYS 16 36.870 15.332 2.133
152 HD2 LYS 16 1HD LYS 16 38.484 16.629 3.222
153 HD3 LYS 16 2HD LYS 16 38.197 15.844 4.776
154 HE2 LYS 16 1HE LYS 16 40.169 14.852 4.143
155 HE3 LYS 16 2HE LYS 16 38.996 13.703 3.500
156 HZ1 LYS 16 3HZ LYS 16 40.679 15.635 2.065
157 HZ2 LYS 16 1HZ LYS 16 39.195 15.183 1.391
158 HZ3 LYS 16 2HZ LYS 16 40.370 14.010 1.712
159 H ARG 17 H ARG 17 33.173 17.799 3.862
160 HA ARG 17 HA ARG 17 31.929 16.794 6.192
161 HB2 ARG 17 1HB ARG 17 31.251 19.210 4.504
162 HB3 ARG 17 2HB ARG 17 30.582 18.880 6.097
163 HG2 ARG 17 1HG ARG 17 32.457 19.524 7.167
164 HG3 ARG 17 2HG ARG 17 33.522 18.885 5.914
165 HD2 ARG 17 1HD ARG 17 33.250 20.786 4.562
166 HD3 ARG 17 2HD ARG 17 31.834 21.326 5.464
167 HE ARG 17 HE ARG 17 33.224 22.320 6.993
168 HH11 ARG 17 1HH1 ARG 17 35.072 20.163 4.981
169 HH12 ARG 17 2HH1 ARG 17 36.604 20.700 5.587
170 HH21 ARG 17 1HH2 ARG 17 35.234 23.037 7.799
171 HH22 ARG 17 2HH2 ARG 17 36.695 22.335 7.190
172 H ALA 18 H ALA 18 30.705 17.385 2.909
173 HA ALA 18 HA ALA 18 28.052 16.597 3.382
174 HB1 ALA 18 1HB ALA 18 29.504 16.287 0.764
175 HB2 ALA 18 2HB ALA 18 27.780 16.557 1.029
176 HB3 ALA 18 3HB ALA 18 28.938 17.841 1.376
177 H ARG 19 H ARG 19 30.743 14.746 1.944
178 HA ARG 19 HA ARG 19 29.370 12.320 1.699
179 HB2 ARG 19 1HB ARG 19 31.516 11.295 1.380
180 HB3 ARG 19 2HB ARG 19 31.553 12.880 0.618
181 HG2 ARG 19 1HG ARG 19 32.715 13.768 2.611
182 HG3 ARG 19 2HG ARG 19 32.755 12.133 3.274
183 HD2 ARG 19 1HD ARG 19 33.927 12.876 0.601
184 HD3 ARG 19 2HD ARG 19 34.852 12.878 2.102
185 HE ARG 19 HE ARG 19 34.118 10.605 0.548
186 HH11 ARG 19 1HH1 ARG 19 34.713 11.697 3.800
187 HH12 ARG 19 2HH1 ARG 19 35.165 10.130 4.383
188 HH21 ARG 19 1HH2 ARG 19 34.711 8.536 1.304
189 HH22 ARG 19 2HH2 ARG 19 35.165 8.333 2.962
190 H ASP 20 H ASP 20 31.146 13.721 4.389
191 HA ASP 20 HA ASP 20 31.263 11.431 6.020
192 HB2 ASP 20 1HB ASP 20 32.645 13.332 6.536
193 HB3 ASP 20 2HB ASP 20 31.234 14.370 6.722
194 H LEU 21 H LEU 21 28.904 14.089 5.905
195 HA LEU 21 HA LEU 21 27.242 13.170 7.964
196 HB2 LEU 21 1HB LEU 21 27.225 15.431 6.837
197 HB3 LEU 21 2HB LEU 21 26.322 14.675 5.526
198 HG LEU 21 HG LEU 21 25.231 14.394 8.272
199 HD11 LEU 21 1HD1 LEU 21 24.088 16.610 7.994
200 HD12 LEU 21 2HD1 LEU 21 25.255 16.975 6.723
201 HD13 LEU 21 3HD1 LEU 21 25.808 16.695 8.374
202 HD21 LEU 21 3HD2 LEU 21 23.133 14.914 6.865
203 HD22 LEU 21 1HD2 LEU 21 23.935 13.358 6.645
204 HD23 LEU 21 2HD2 LEU 21 24.188 14.654 5.475
205 H LEU 22 H LEU 22 27.084 12.622 4.458
206 HA LEU 22 HA LEU 22 24.734 11.135 4.380
207 HB2 LEU 22 1HB LEU 22 27.173 11.265 2.670
208 HB3 LEU 22 2HB LEU 22 25.979 10.005 2.365
209 HG LEU 22 HG LEU 22 24.449 11.466 1.524
210 HD11 LEU 22 1HD1 LEU 22 25.672 13.578 3.287
211 HD12 LEU 22 2HD1 LEU 22 24.106 12.791 3.477
212 HD13 LEU 22 3HD1 LEU 22 24.383 13.888 2.124
213 HD21 LEU 22 3HD2 LEU 22 25.742 13.414 0.389
214 HD22 LEU 22 1HD2 LEU 22 26.107 11.748 -0.060
215 HD23 LEU 22 2HD2 LEU 22 27.169 12.614 1.051
216 H ASP 23 H ASP 23 28.073 9.876 4.449
217 HA ASP 23 HA ASP 23 27.392 7.185 4.773
218 HB2 ASP 23 1HB ASP 23 29.622 7.693 4.133
219 HB3 ASP 23 2HB ASP 23 29.861 8.744 5.526
220 H LYS 24 H LYS 24 27.659 9.784 7.091
221 HA LYS 24 HA LYS 24 27.726 8.193 9.433
222 HB2 LYS 24 1HB LYS 24 28.375 10.586 9.359
223 HB3 LYS 24 2HB LYS 24 26.689 11.014 9.100
224 HG2 LYS 24 1HG LYS 24 26.092 10.546 11.259
225 HG3 LYS 24 2HG LYS 24 27.396 9.378 11.482
226 HD2 LYS 24 1HD LYS 24 28.978 11.029 11.877
227 HD3 LYS 24 2HD LYS 24 28.024 12.276 11.070
228 HE2 LYS 24 1HE LYS 24 26.454 12.322 12.895
229 HE3 LYS 24 2HE LYS 24 27.253 10.954 13.669
230 HZ1 LYS 24 3HZ LYS 24 28.946 12.242 14.411
231 HZ2 LYS 24 1HZ LYS 24 27.747 13.435 14.362
232 HZ3 LYS 24 2HZ LYS 24 28.875 13.317 13.107
233 H LYS 25 H LYS 25 25.100 9.617 7.551
234 HA LYS 25 HA LYS 25 23.035 8.854 9.364
235 HB2 LYS 25 1HB LYS 25 22.964 9.658 6.453
236 HB3 LYS 25 2HB LYS 25 21.525 9.362 7.420
237 HG2 LYS 25 1HG LYS 25 23.605 11.480 7.926
238 HG3 LYS 25 2HG LYS 25 21.985 11.733 7.272
239 HD2 LYS 25 1HD LYS 25 21.371 10.422 9.541
240 HD3 LYS 25 2HD LYS 25 22.859 11.226 10.048
241 HE2 LYS 25 1HE LYS 25 21.668 13.291 8.860
242 HE3 LYS 25 2HE LYS 25 20.228 12.375 9.299
243 HZ1 LYS 25 3HZ LYS 25 21.223 14.089 10.947
244 HZ2 LYS 25 1HZ LYS 25 22.311 12.848 11.319
245 HZ3 LYS 25 2HZ LYS 25 20.650 12.608 11.529
246 H GLY 26 H GLY 26 24.605 7.337 6.627
247 HA2 GLY 26 1HA GLY 26 24.682 4.941 6.475
248 HA3 GLY 26 2HA GLY 26 23.091 4.883 7.221
249 H VAL 27 H VAL 27 24.317 6.764 4.463
250 HA VAL 27 HA VAL 27 22.281 5.446 2.787
251 HB VAL 27 HB VAL 27 22.386 7.702 1.481
252 HG11 VAL 27 1HG1 VAL 27 20.393 6.825 2.574
253 HG12 VAL 27 2HG1 VAL 27 20.946 7.466 4.122
254 HG13 VAL 27 3HG1 VAL 27 20.522 8.567 2.811
255 HG21 VAL 27 3HG2 VAL 27 23.216 8.602 4.239
256 HG22 VAL 27 1HG2 VAL 27 24.226 8.652 2.795
257 HG23 VAL 27 2HG2 VAL 27 22.776 9.650 2.891
258 H LYS 28 H LYS 28 22.787 5.918 0.366
259 HA LYS 28 HA LYS 28 25.640 5.322 -0.053
260 HB2 LYS 28 1HB LYS 28 23.154 4.231 -1.200
261 HB3 LYS 28 2HB LYS 28 24.431 4.541 -2.368
262 HG2 LYS 28 1HG LYS 28 25.014 3.019 0.137
263 HG3 LYS 28 2HG LYS 28 24.271 2.220 -1.250
264 HD2 LYS 28 1HD LYS 28 26.155 2.365 -2.514
265 HD3 LYS 28 2HD LYS 28 26.655 3.894 -1.786
266 HE2 LYS 28 1HE LYS 28 26.675 1.674 0.099
267 HE3 LYS 28 2HE LYS 28 27.746 1.413 -1.277
268 HZ1 LYS 28 3HZ LYS 28 28.924 3.380 -0.795
269 HZ2 LYS 28 1HZ LYS 28 28.748 2.581 0.686
270 HZ3 LYS 28 2HZ LYS 28 27.767 3.909 0.320
271 H TYR 29 H TYR 29 26.710 7.050 -0.750
272 HA TYR 29 HA TYR 29 25.347 8.950 -2.526
273 HB2 TYR 29 1HB TYR 29 26.997 10.572 -1.876
274 HB3 TYR 29 2HB TYR 29 26.383 9.809 -0.414
275 HD1 TYR 29 HD2 TYR 29 29.262 10.014 -2.708
276 HD2 TYR 29 HD1 TYR 29 27.814 8.522 1.004
277 HE1 TYR 29 HE2 TYR 29 31.562 9.453 -2.043
278 HE2 TYR 29 HE1 TYR 29 30.110 7.958 1.680
279 HH TYR 29 HH TYR 29 32.882 8.819 -0.334
280 H THR 30 H THR 30 26.081 9.389 -4.546
281 HA THR 30 HA THR 30 28.189 7.628 -5.575
282 HB THR 30 HB THR 30 26.063 9.199 -7.044
283 HG1 THR 30 HG1 THR 30 25.243 7.093 -7.460
284 HG21 THR 30 3HG2 THR 30 28.204 7.341 -8.084
285 HG22 THR 30 1HG2 THR 30 28.039 9.063 -8.425
286 HG23 THR 30 2HG2 THR 30 26.837 7.925 -9.033
287 H ASP 31 H ASP 31 30.145 8.455 -5.842
288 HA ASP 31 HA ASP 31 30.527 11.331 -5.923
289 HB2 ASP 31 1HB ASP 31 32.931 10.787 -5.790
290 HB3 ASP 31 2HB ASP 31 32.008 10.003 -4.511
291 H ILE 32 H ILE 32 30.330 12.338 -7.808
292 HA ILE 32 HA ILE 32 31.040 10.938 -10.278
293 HB ILE 32 HB ILE 32 29.668 13.609 -9.960
294 HG12 ILE 32 1HG1 ILE 32 28.360 11.722 -9.007
295 HG13 ILE 32 2HG1 ILE 32 27.587 12.445 -10.414
296 HG21 ILE 32 1HG2 ILE 32 30.525 11.980 -12.270
297 HG22 ILE 32 2HG2 ILE 32 28.928 12.720 -12.377
298 HG23 ILE 32 3HG2 ILE 32 30.351 13.728 -12.113
299 HD11 ILE 32 3HD1 ILE 32 27.405 10.042 -10.491
300 HD12 ILE 32 1HD1 ILE 32 28.442 10.610 -11.799
301 HD13 ILE 32 2HD1 ILE 32 29.156 9.878 -10.361
302 H ASP 33 H ASP 33 32.935 11.280 -11.212
303 HA ASP 33 HA ASP 33 34.882 13.032 -10.244
304 HB2 ASP 33 1HB ASP 33 34.589 11.591 -12.875
305 HB3 ASP 33 2HB ASP 33 35.988 12.598 -12.516
306 H ALA 34 H ALA 34 35.624 15.028 -10.891
307 HA ALA 34 HA ALA 34 33.771 16.913 -11.771
308 HB1 ALA 34 1HB ALA 34 36.737 16.916 -11.456
309 HB2 ALA 34 2HB ALA 34 35.946 18.281 -12.244
310 HB3 ALA 34 3HB ALA 34 35.512 17.844 -10.591
311 H SER 35 H SER 35 35.705 14.717 -13.564
312 HA SER 35 HA SER 35 36.155 15.982 -15.961
313 HB2 SER 35 1HB SER 35 35.815 13.667 -16.993
314 HB3 SER 35 2HB SER 35 37.007 13.783 -15.699
315 HG SER 35 HG SER 35 34.355 13.154 -15.050
316 H THR 36 H THR 36 34.735 17.259 -16.965
317 HA THR 36 HA THR 36 31.962 17.090 -16.880
318 HB THR 36 HB THR 36 31.960 18.525 -18.907
319 HG1 THR 36 HG1 THR 36 33.952 19.065 -19.843
320 HG21 THR 36 3HG2 THR 36 33.507 20.327 -17.894
321 HG22 THR 36 1HG2 THR 36 33.773 19.159 -16.601
322 HG23 THR 36 2HG2 THR 36 32.146 19.754 -16.931
323 H SER 37 H SER 37 34.238 15.311 -18.780
324 HA SER 37 HA SER 37 32.778 14.548 -20.987
325 HB2 SER 37 1HB SER 37 34.970 13.771 -20.999
326 HB3 SER 37 2HB SER 37 34.871 13.164 -19.346
327 HG SER 37 HG SER 37 34.781 11.631 -21.266
328 H LEU 38 H LEU 38 32.445 13.502 -17.672
329 HA LEU 38 HA LEU 38 30.172 11.812 -18.484
330 HB2 LEU 38 1HB LEU 38 32.079 11.418 -16.184
331 HB3 LEU 38 2HB LEU 38 30.617 10.469 -16.447
332 HG LEU 38 HG LEU 38 32.995 10.561 -18.304
333 HD11 LEU 38 1HD1 LEU 38 32.105 8.487 -16.306
334 HD12 LEU 38 2HD1 LEU 38 33.592 9.434 -16.267
335 HD13 LEU 38 3HD1 LEU 38 33.345 8.234 -17.534
336 HD21 LEU 38 3HD2 LEU 38 31.721 8.423 -19.114
337 HD22 LEU 38 1HD2 LEU 38 31.250 10.020 -19.698
338 HD23 LEU 38 2HD2 LEU 38 30.322 9.241 -18.417
339 H ARG 39 H ARG 39 31.430 14.207 -16.286
340 HA ARG 39 HA ARG 39 29.227 14.227 -14.489
341 HB2 ARG 39 1HB ARG 39 31.292 15.144 -13.726
342 HB3 ARG 39 2HB ARG 39 31.388 16.240 -15.098
343 HG2 ARG 39 1HG ARG 39 29.013 16.528 -13.376
344 HG3 ARG 39 2HG ARG 39 30.562 16.978 -12.659
345 HD2 ARG 39 1HD ARG 39 29.553 17.997 -15.310
346 HD3 ARG 39 2HD ARG 39 29.368 18.857 -13.781
347 HE ARG 39 HE ARG 39 31.757 18.629 -15.366
348 HH11 ARG 39 1HH1 ARG 39 30.473 19.198 -12.181
349 HH12 ARG 39 2HH1 ARG 39 31.866 20.069 -11.633
350 HH21 ARG 39 1HH2 ARG 39 33.597 19.774 -14.657
351 HH22 ARG 39 2HH2 ARG 39 33.643 20.397 -13.042
352 H GLN 40 H GLN 40 30.073 16.163 -17.335
353 HA GLN 40 HA GLN 40 27.943 17.974 -17.211
354 HB2 GLN 40 1HB GLN 40 29.949 18.183 -18.683
355 HB3 GLN 40 2HB GLN 40 29.278 16.923 -19.710
356 HG2 GLN 40 1HG GLN 40 27.276 18.378 -20.045
357 HG3 GLN 40 2HG GLN 40 28.139 19.655 -19.190
358 HE21 GLN 40 2HE2 GLN 40 27.911 17.798 -22.100
359 HE22 GLN 40 1HE2 GLN 40 29.007 18.746 -23.040
360 H GLU 41 H GLU 41 28.210 14.846 -18.869
361 HA GLU 41 HA GLU 41 25.614 14.922 -20.005
362 HB2 GLU 41 1HB GLU 41 25.954 12.504 -20.401
363 HB3 GLU 41 2HB GLU 41 27.319 13.476 -20.934
364 HG2 GLU 41 1HG GLU 41 28.498 12.901 -18.842
365 HG3 GLU 41 2HG GLU 41 27.151 11.851 -18.407
366 H MET 42 H MET 42 26.918 13.519 -17.030
367 HA MET 42 HA MET 42 24.574 12.192 -16.212
368 HB2 MET 42 1HB MET 42 26.988 13.216 -14.740
369 HB3 MET 42 2HB MET 42 25.649 12.468 -13.879
370 HG2 MET 42 1HG MET 42 26.520 10.878 -16.139
371 HG3 MET 42 2HG MET 42 27.821 11.182 -14.990
372 HE1 MET 42 3HE MET 42 27.689 8.119 -14.279
373 HE2 MET 42 1HE MET 42 28.435 9.618 -13.721
374 HE3 MET 42 2HE MET 42 27.518 8.617 -12.594
375 H VAL 43 H VAL 43 25.882 15.365 -15.247
376 HA VAL 43 HA VAL 43 23.701 16.092 -13.616
377 HB VAL 43 HB VAL 43 25.985 17.176 -13.639
378 HG11 VAL 43 1HG1 VAL 43 26.360 19.015 -15.183
379 HG12 VAL 43 2HG1 VAL 43 26.139 17.504 -16.068
380 HG13 VAL 43 3HG1 VAL 43 24.825 18.679 -15.983
381 HG21 VAL 43 3HG2 VAL 43 24.701 18.400 -12.253
382 HG22 VAL 43 1HG2 VAL 43 24.743 19.584 -13.559
383 HG23 VAL 43 2HG2 VAL 43 23.367 18.492 -13.403
384 H GLN 44 H GLN 44 24.315 16.451 -17.053
385 HA GLN 44 HA GLN 44 22.275 18.292 -17.643
386 HB2 GLN 44 1HB GLN 44 23.889 16.337 -19.196
387 HB3 GLN 44 2HB GLN 44 22.420 16.946 -19.948
388 HG2 GLN 44 1HG GLN 44 23.193 19.173 -19.886
389 HG3 GLN 44 2HG GLN 44 24.520 18.758 -18.801
390 HE21 GLN 44 2HE2 GLN 44 24.824 20.140 -21.222
391 HE22 GLN 44 1HE2 GLN 44 25.753 19.156 -22.295
392 H ARG 45 H ARG 45 22.296 14.737 -17.792
393 HA ARG 45 HA ARG 45 19.476 14.638 -18.392
394 HB2 ARG 45 1HB ARG 45 21.235 12.980 -19.204
395 HB3 ARG 45 2HB ARG 45 21.223 12.323 -17.572
396 HG2 ARG 45 1HG ARG 45 19.794 10.968 -18.888
397 HG3 ARG 45 2HG ARG 45 18.762 11.944 -17.840
398 HD2 ARG 45 1HD ARG 45 18.287 13.463 -19.654
399 HD3 ARG 45 2HD ARG 45 19.423 12.616 -20.704
400 HE ARG 45 HE ARG 45 17.380 10.887 -19.719
401 HH11 ARG 45 1HH1 ARG 45 18.083 13.322 -22.105
402 HH12 ARG 45 2HH1 ARG 45 16.886 12.757 -23.224
403 HH21 ARG 45 1HH2 ARG 45 15.801 10.134 -21.183
404 HH22 ARG 45 2HH2 ARG 45 15.588 10.944 -22.698
405 H ALA 46 H ALA 46 21.306 14.992 -15.600
406 HA ALA 46 HA ALA 46 19.598 13.522 -13.810
407 HB1 ALA 46 1HB ALA 46 21.889 13.748 -13.187
408 HB2 ALA 46 2HB ALA 46 21.811 15.505 -13.322
409 HB3 ALA 46 3HB ALA 46 20.929 14.680 -12.037
410 H ASN 47 H ASN 47 20.061 16.922 -14.691
411 HA ASN 47 HA ASN 47 17.599 17.570 -13.208
412 HB2 ASN 47 1HB ASN 47 18.456 19.627 -12.641
413 HB3 ASN 47 2HB ASN 47 19.947 18.692 -12.706
414 HD21 ASN 47 2HD2 ASN 47 21.418 19.078 -14.312
415 HD22 ASN 47 1HD2 ASN 47 21.302 20.417 -15.398
416 H GLY 48 H GLY 48 19.367 18.028 -16.227
417 HA2 GLY 48 1HA GLY 48 17.617 17.835 -18.131
418 HA3 GLY 48 2HA GLY 48 17.002 19.313 -17.408
419 H ARG 49 H ARG 49 19.590 20.398 -16.742
420 HA ARG 49 HA ARG 49 21.235 20.555 -19.046
421 HB2 ARG 49 1HB ARG 49 19.474 21.790 -20.070
422 HB3 ARG 49 2HB ARG 49 19.210 22.748 -18.618
423 HG2 ARG 49 1HG ARG 49 21.119 24.032 -18.969
424 HG3 ARG 49 2HG ARG 49 21.818 22.856 -20.084
425 HD2 ARG 49 1HD ARG 49 19.531 23.460 -21.383
426 HD3 ARG 49 2HD ARG 49 19.842 24.990 -20.563
427 HE ARG 49 HE ARG 49 21.305 23.880 -22.762
428 HH11 ARG 49 1HH1 ARG 49 21.503 25.973 -19.987
429 HH12 ARG 49 2HH1 ARG 49 22.821 26.903 -20.619
430 HH21 ARG 49 1HH2 ARG 49 23.041 25.097 -23.605
431 HH22 ARG 49 2HH2 ARG 49 23.695 26.404 -22.678
432 H ASN 50 H ASN 50 23.133 20.770 -18.070
433 HA ASN 50 HA ASN 50 23.851 23.069 -16.611
434 HB2 ASN 50 1HB ASN 50 22.469 21.880 -14.875
435 HB3 ASN 50 2HB ASN 50 23.657 20.580 -14.907
436 HD21 ASN 50 2HD2 ASN 50 23.885 21.081 -12.633
437 HD22 ASN 50 1HD2 ASN 50 24.940 22.363 -12.153
438 H THR 51 H THR 51 26.086 23.114 -16.061
439 HA THR 51 HA THR 51 27.724 20.804 -16.681
440 HB THR 51 HB THR 51 27.457 21.732 -18.904
441 HG1 THR 51 HG1 THR 51 29.615 21.865 -19.361
442 HG21 THR 51 3HG2 THR 51 28.845 24.237 -18.542
443 HG22 THR 51 1HG2 THR 51 27.365 24.194 -17.583
444 HG23 THR 51 2HG2 THR 51 27.297 23.918 -19.324
445 H PHE 52 H PHE 52 27.541 21.801 -14.243
446 HA PHE 52 HA PHE 52 30.172 22.949 -13.804
447 HB2 PHE 52 1HB PHE 52 27.609 24.337 -13.085
448 HB3 PHE 52 2HB PHE 52 29.052 24.575 -12.104
449 HD1 PHE 52 HD2 PHE 52 27.505 25.150 -15.370
450 HD2 PHE 52 HD1 PHE 52 30.941 25.804 -12.945
451 HE1 PHE 52 HE2 PHE 52 28.290 26.864 -16.951
452 HE2 PHE 52 HE1 PHE 52 31.731 27.520 -14.521
453 HZ PHE 52 HZ PHE 52 30.406 28.051 -16.528
454 HA PRO 53 HA PRO 53 30.200 20.324 -10.290
455 HB2 PRO 53 1HB PRO 53 31.712 21.745 -8.539
456 HB3 PRO 53 2HB PRO 53 32.386 20.953 -9.968
457 HG2 PRO 53 1HG PRO 53 31.639 23.824 -9.568
458 HG3 PRO 53 2HG PRO 53 33.074 23.141 -10.354
459 HD2 PRO 53 1HD PRO 53 30.955 24.077 -11.754
460 HD3 PRO 53 2HD PRO 53 31.953 22.725 -12.324
461 H GLN 54 H GLN 54 28.966 19.895 -8.538
462 HA GLN 54 HA GLN 54 28.148 21.732 -6.593
463 HB2 GLN 54 1HB GLN 54 25.651 21.696 -7.267
464 HB3 GLN 54 2HB GLN 54 26.721 22.843 -8.061
465 HG2 GLN 54 1HG GLN 54 25.195 21.768 -9.633
466 HG3 GLN 54 2HG GLN 54 26.882 21.406 -9.997
467 HE21 GLN 54 2HE2 GLN 54 24.485 20.047 -7.758
468 HE22 GLN 54 1HE2 GLN 54 24.662 18.413 -8.290
469 H ILE 55 H ILE 55 26.127 20.821 -5.364
470 HA ILE 55 HA ILE 55 26.559 17.925 -5.135
471 HB ILE 55 HB ILE 55 25.382 19.873 -3.149
472 HG12 ILE 55 1HG1 ILE 55 27.510 18.961 -1.885
473 HG13 ILE 55 2HG1 ILE 55 28.078 18.627 -3.517
474 HG21 ILE 55 1HG2 ILE 55 24.301 17.945 -2.561
475 HG22 ILE 55 2HG2 ILE 55 25.581 16.906 -3.185
476 HG23 ILE 55 3HG2 ILE 55 25.798 17.748 -1.651
477 HD11 ILE 55 3HD1 ILE 55 26.995 21.325 -3.055
478 HD12 ILE 55 1HD1 ILE 55 28.506 20.936 -2.234
479 HD13 ILE 55 2HD1 ILE 55 28.396 20.802 -3.990
480 H PHE 56 H PHE 56 25.096 16.716 -6.132
481 HA PHE 56 HA PHE 56 22.377 17.723 -6.491
482 HB2 PHE 56 1HB PHE 56 24.047 16.386 -8.199
483 HB3 PHE 56 2HB PHE 56 23.033 15.079 -7.598
484 HD1 PHE 56 HD2 PHE 56 20.436 15.715 -7.536
485 HD2 PHE 56 HD1 PHE 56 23.354 17.466 -10.092
486 HE1 PHE 56 HE2 PHE 56 18.661 16.369 -9.109
487 HE2 PHE 56 HE1 PHE 56 21.584 18.123 -11.669
488 HZ PHE 56 HZ PHE 56 19.234 17.574 -11.179
489 H ILE 57 H ILE 57 20.575 16.749 -5.661
490 HA ILE 57 HA ILE 57 20.907 14.325 -4.054
491 HB ILE 57 HB ILE 57 19.522 15.337 -2.234
492 HG12 ILE 57 1HG1 ILE 57 20.204 18.068 -2.639
493 HG13 ILE 57 2HG1 ILE 57 19.408 17.499 -4.102
494 HG21 ILE 57 1HG2 ILE 57 22.302 16.127 -2.887
495 HG22 ILE 57 2HG2 ILE 57 21.523 16.939 -1.530
496 HG23 ILE 57 3HG2 ILE 57 21.679 15.182 -1.535
497 HD11 ILE 57 3HD1 ILE 57 18.140 16.796 -1.528
498 HD12 ILE 57 1HD1 ILE 57 18.081 18.487 -2.025
499 HD13 ILE 57 2HD1 ILE 57 17.414 17.235 -3.073
500 H GLY 58 H GLY 58 19.492 12.929 -4.868
501 HA2 GLY 58 1HA GLY 58 17.543 12.035 -5.684
502 HA3 GLY 58 2HA GLY 58 16.721 13.310 -4.797
503 H ASP 59 H ASP 59 15.968 15.095 -5.871
504 HA ASP 59 HA ASP 59 16.441 15.193 -8.774
505 HB2 ASP 59 1HB ASP 59 13.821 15.289 -7.295
506 HB3 ASP 59 2HB ASP 59 13.992 15.998 -8.898
507 H TYR 60 H TYR 60 17.655 16.706 -6.602
508 HA TYR 60 HA TYR 60 16.989 19.380 -7.573
509 HB2 TYR 60 1HB TYR 60 15.702 19.336 -5.578
510 HB3 TYR 60 2HB TYR 60 16.986 18.537 -4.677
511 HD1 TYR 60 HD2 TYR 60 16.116 21.729 -6.372
512 HD2 TYR 60 HD1 TYR 60 18.544 19.794 -3.463
513 HE1 TYR 60 HE2 TYR 60 16.931 23.919 -5.604
514 HE2 TYR 60 HE1 TYR 60 19.365 21.979 -2.686
515 HH TYR 60 HH TYR 60 19.483 24.189 -3.196
516 H HIS 61 H HIS 61 18.692 20.852 -7.497
517 HA HIS 61 HA HIS 61 21.317 19.654 -6.910
518 HB2 HIS 61 1HB HIS 61 22.195 21.378 -8.530
519 HB3 HIS 61 2HB HIS 61 21.164 20.140 -9.244
520 HD1 HIS 61 HD1 HIS 61 18.670 20.910 -9.813
521 HD2 HIS 61 HD2 HIS 61 21.345 23.955 -8.899
522 HE1 HIS 61 HE1 HIS 61 17.587 23.025 -10.636
523 H VAL 62 H VAL 62 21.905 20.306 -4.930
524 HA VAL 62 HA VAL 62 21.121 22.713 -3.698
525 HB VAL 62 HB VAL 62 23.499 20.957 -3.071
526 HG11 VAL 62 1HG1 VAL 62 22.373 23.373 -1.781
527 HG12 VAL 62 2HG1 VAL 62 22.886 22.058 -0.722
528 HG13 VAL 62 3HG1 VAL 62 24.036 22.790 -1.842
529 HG21 VAL 62 3HG2 VAL 62 20.857 20.996 -1.644
530 HG22 VAL 62 1HG2 VAL 62 21.154 19.946 -3.030
531 HG23 VAL 62 2HG2 VAL 62 22.132 19.780 -1.571
532 H GLY 63 H GLY 63 24.496 21.870 -4.463
533 HA2 GLY 63 1HA GLY 63 25.568 23.438 -6.155
534 HA3 GLY 63 2HA GLY 63 24.934 24.713 -5.124
535 H GLY 64 H GLY 64 25.683 24.693 -2.835
536 HA2 GLY 64 1HA GLY 64 28.556 24.132 -2.805
537 HA3 GLY 64 2HA GLY 64 27.696 25.191 -1.698
538 H CYS 65 H CYS 65 29.563 23.280 -0.859
539 HA CYS 65 HA CYS 65 28.297 20.880 -0.002
540 HB2 CYS 65 1HB CYS 65 30.708 20.965 -0.261
541 HB3 CYS 65 2HB CYS 65 30.826 22.240 0.946
542 HG CYS 65 HG CYS 65 29.510 20.253 2.815
543 H ASP 66 H ASP 66 29.434 23.697 1.872
544 HA ASP 66 HA ASP 66 28.270 23.006 4.296
545 HB2 ASP 66 1HB ASP 66 28.691 25.799 3.210
546 HB3 ASP 66 2HB ASP 66 28.483 25.366 4.905
547 H ASP 67 H ASP 67 26.830 24.313 1.432
548 HA ASP 67 HA ASP 67 24.546 25.534 2.395
549 HB2 ASP 67 1HB ASP 67 24.799 23.802 -0.074
550 HB3 ASP 67 2HB ASP 67 23.502 24.952 0.239
551 H LEU 68 H LEU 68 24.973 22.094 1.575
552 HA LEU 68 HA LEU 68 22.417 21.229 2.273
553 HB2 LEU 68 1HB LEU 68 23.245 19.057 2.169
554 HB3 LEU 68 2HB LEU 68 24.283 19.969 1.074
555 HG LEU 68 HG LEU 68 25.797 20.118 3.256
556 HD11 LEU 68 1HD1 LEU 68 23.878 17.933 3.773
557 HD12 LEU 68 2HD1 LEU 68 24.775 18.951 4.899
558 HD13 LEU 68 3HD1 LEU 68 25.576 17.593 4.108
559 HD21 LEU 68 3HD2 LEU 68 26.267 17.520 2.188
560 HD22 LEU 68 1HD2 LEU 68 27.136 19.022 1.871
561 HD23 LEU 68 2HD2 LEU 68 25.744 18.583 0.881
562 H TYR 69 H TYR 69 25.278 21.750 4.250
563 HA TYR 69 HA TYR 69 24.276 20.531 6.606
564 HB2 TYR 69 1HB TYR 69 26.660 21.884 5.794
565 HB3 TYR 69 2HB TYR 69 26.098 22.598 7.302
566 HD1 TYR 69 HD2 TYR 69 27.004 19.371 5.706
567 HD2 TYR 69 HD1 TYR 69 26.424 21.490 9.349
568 HE1 TYR 69 HE2 TYR 69 27.969 17.482 6.951
569 HE2 TYR 69 HE1 TYR 69 27.388 19.607 10.605
570 HH TYR 69 HH TYR 69 27.930 17.374 10.448
571 H ALA 70 H ALA 70 24.536 23.952 5.642
572 HA ALA 70 HA ALA 70 23.314 25.087 7.861
573 HB1 ALA 70 1HB ALA 70 23.532 27.013 6.743
574 HB2 ALA 70 2HB ALA 70 24.360 26.040 5.526
575 HB3 ALA 70 3HB ALA 70 22.646 26.411 5.342
576 H LEU 71 H LEU 71 21.798 24.154 4.772
577 HA LEU 71 HA LEU 71 19.174 24.819 5.460
578 HB2 LEU 71 1HB LEU 71 20.135 22.639 3.614
579 HB3 LEU 71 2HB LEU 71 18.500 23.294 3.661
580 HG LEU 71 HG LEU 71 20.912 24.968 2.995
581 HD11 LEU 71 1HD1 LEU 71 20.506 24.621 0.690
582 HD12 LEU 71 2HD1 LEU 71 19.027 23.717 1.013
583 HD13 LEU 71 3HD1 LEU 71 20.594 23.022 1.429
584 HD21 LEU 71 3HD2 LEU 71 18.223 25.576 3.543
585 HD22 LEU 71 1HD2 LEU 71 18.431 25.755 1.801
586 HD23 LEU 71 2HD2 LEU 71 19.469 26.652 2.909
587 H GLU 72 H GLU 72 20.872 21.705 5.724
588 HA GLU 72 HA GLU 72 18.769 20.188 6.734
589 HB2 GLU 72 1HB GLU 72 20.824 19.147 6.002
590 HB3 GLU 72 2HB GLU 72 21.736 19.970 7.259
591 HG2 GLU 72 1HG GLU 72 20.484 18.722 8.962
592 HG3 GLU 72 2HG GLU 72 19.621 17.871 7.683
593 H ASN 73 H ASN 73 20.951 22.410 8.349
594 HA ASN 73 HA ASN 73 19.992 21.699 10.984
595 HB2 ASN 73 1HB ASN 73 22.328 22.369 10.696
596 HB3 ASN 73 2HB ASN 73 21.817 23.937 10.078
597 HD21 ASN 73 2HD2 ASN 73 22.024 21.893 12.892
598 HD22 ASN 73 1HD2 ASN 73 21.806 23.146 14.062
599 H LYS 74 H LYS 74 19.173 23.912 8.490
600 HA LYS 74 HA LYS 74 17.815 25.798 10.195
601 HB2 LYS 74 1HB LYS 74 18.432 25.542 7.340
602 HB3 LYS 74 2HB LYS 74 16.848 26.238 7.658
603 HG2 LYS 74 1HG LYS 74 18.478 27.992 7.436
604 HG3 LYS 74 2HG LYS 74 17.906 27.925 9.105
605 HD2 LYS 74 1HD LYS 74 19.953 26.446 9.545
606 HD3 LYS 74 2HD LYS 74 20.542 27.021 7.983
607 HE2 LYS 74 1HE LYS 74 19.810 28.730 10.359
608 HE3 LYS 74 2HE LYS 74 21.442 28.371 9.797
609 HZ1 LYS 74 3HZ LYS 74 20.624 30.561 9.074
610 HZ2 LYS 74 1HZ LYS 74 19.392 29.804 8.197
611 HZ3 LYS 74 2HZ LYS 74 21.009 29.553 7.772
612 H GLY 75 H GLY 75 17.053 22.824 8.637
613 HA2 GLY 75 1HA GLY 75 14.945 21.894 9.767
614 HA3 GLY 75 2HA GLY 75 14.172 23.292 9.036
615 H LYS 76 H LYS 76 16.476 22.468 6.898
616 HA LYS 76 HA LYS 76 14.565 21.155 5.166
617 HB2 LYS 76 1HB LYS 76 17.439 21.929 4.634
618 HB3 LYS 76 2HB LYS 76 16.261 21.428 3.428
619 HG2 LYS 76 1HG LYS 76 16.094 23.909 5.127
620 HG3 LYS 76 2HG LYS 76 16.569 23.842 3.429
621 HD2 LYS 76 1HD LYS 76 14.251 22.638 3.157
622 HD3 LYS 76 2HD LYS 76 13.882 23.466 4.672
623 HE2 LYS 76 1HE LYS 76 14.934 24.844 2.206
624 HE3 LYS 76 2HE LYS 76 13.222 24.713 2.604
625 HZ1 LYS 76 3HZ LYS 76 14.163 25.710 4.873
626 HZ2 LYS 76 1HZ LYS 76 13.625 26.678 3.595
627 HZ3 LYS 76 2HZ LYS 76 15.279 26.385 3.795
628 H LEU 77 H LEU 77 16.392 20.007 7.547
629 HA LEU 77 HA LEU 77 17.957 17.954 6.577
630 HB2 LEU 77 1HB LEU 77 18.079 18.324 8.866
631 HB3 LEU 77 2HB LEU 77 16.329 18.272 9.065
632 HG LEU 77 HG LEU 77 17.492 15.739 8.173
633 HD11 LEU 77 1HD1 LEU 77 18.554 17.133 10.554
634 HD12 LEU 77 2HD1 LEU 77 19.301 15.914 9.522
635 HD13 LEU 77 3HD1 LEU 77 18.128 15.432 10.748
636 HD21 LEU 77 3HD2 LEU 77 16.110 15.029 10.228
637 HD22 LEU 77 1HD2 LEU 77 15.260 15.664 8.819
638 HD23 LEU 77 2HD2 LEU 77 15.529 16.695 10.225
639 H ASP 78 H ASP 78 14.465 17.994 7.127
640 HA ASP 78 HA ASP 78 13.877 15.323 6.694
641 HB2 ASP 78 1HB ASP 78 12.351 17.380 7.297
642 HB3 ASP 78 2HB ASP 78 12.076 17.426 5.558
643 H SER 79 H SER 79 14.156 17.936 4.303
644 HA SER 79 HA SER 79 13.565 16.322 2.056
645 HB2 SER 79 1HB SER 79 13.384 18.769 1.989
646 HB3 SER 79 2HB SER 79 15.129 18.912 2.207
647 HG SER 79 HG SER 79 15.304 18.689 0.137
648 H LEU 80 H LEU 80 16.656 17.479 3.386
649 HA LEU 80 HA LEU 80 18.366 16.306 1.546
650 HB2 LEU 80 1HB LEU 80 18.583 17.228 4.342
651 HB3 LEU 80 2HB LEU 80 19.835 16.115 3.793
652 HG LEU 80 HG LEU 80 20.411 18.547 3.620
653 HD11 LEU 80 1HD1 LEU 80 20.820 18.114 0.935
654 HD12 LEU 80 2HD1 LEU 80 20.657 16.484 1.586
655 HD13 LEU 80 3HD1 LEU 80 21.873 17.579 2.245
656 HD21 LEU 80 3HD2 LEU 80 17.918 18.871 2.630
657 HD22 LEU 80 1HD2 LEU 80 18.855 18.809 1.137
658 HD23 LEU 80 2HD2 LEU 80 19.241 20.009 2.372
659 H LEU 81 H LEU 81 17.253 14.963 4.654
660 HA LEU 81 HA LEU 81 18.530 12.475 4.386
661 HB2 LEU 81 1HB LEU 81 16.621 13.715 6.163
662 HB3 LEU 81 2HB LEU 81 16.209 12.027 5.868
663 HG LEU 81 HG LEU 81 18.802 11.727 6.439
664 HD11 LEU 81 1HD1 LEU 81 19.774 13.394 7.546
665 HD12 LEU 81 2HD1 LEU 81 18.354 13.657 8.556
666 HD13 LEU 81 3HD1 LEU 81 18.458 14.416 6.968
667 HD21 LEU 81 3HD2 LEU 81 16.491 11.964 8.354
668 HD22 LEU 81 1HD2 LEU 81 18.066 11.309 8.802
669 HD23 LEU 81 2HD2 LEU 81 17.098 10.508 7.564
670 H GLN 82 H GLN 82 15.333 13.597 3.397
671 HA GLN 82 HA GLN 82 14.354 11.067 2.580
672 HB2 GLN 82 1HB GLN 82 13.544 13.905 2.118
673 HB3 GLN 82 2HB GLN 82 12.830 12.648 1.117
674 HG2 GLN 82 1HG GLN 82 11.951 11.532 3.053
675 HG3 GLN 82 2HG GLN 82 12.781 12.659 4.124
676 HE21 GLN 82 2HE2 GLN 82 10.940 13.237 1.162
677 HE22 GLN 82 1HE2 GLN 82 9.762 14.273 1.886
678 H ASP 83 H ASP 83 16.435 13.402 1.105
679 HA ASP 83 HA ASP 83 16.115 12.323 -1.564
680 HB2 ASP 83 1HB ASP 83 17.759 14.520 -0.352
681 HB3 ASP 83 2HB ASP 83 18.150 13.910 -1.957
682 H VAL 84 H VAL 84 18.685 12.454 0.891
683 HA VAL 84 HA VAL 84 20.510 10.841 -0.565
684 HB VAL 84 HB VAL 84 21.780 10.677 1.503
685 HG11 VAL 84 1HG1 VAL 84 21.003 13.446 1.858
686 HG12 VAL 84 2HG1 VAL 84 22.512 12.766 1.244
687 HG13 VAL 84 3HG1 VAL 84 21.146 13.014 0.154
688 HG21 VAL 84 3HG2 VAL 84 20.427 12.234 3.352
689 HG22 VAL 84 1HG2 VAL 84 19.182 11.172 2.693
690 HG23 VAL 84 2HG2 VAL 84 20.639 10.484 3.411
691 H HIS 85 H HIS 85 17.840 10.140 1.536
692 HA HIS 85 HA HIS 85 18.431 7.605 2.453
693 HB2 HIS 85 1HB HIS 85 16.440 8.707 3.205
694 HB3 HIS 85 2HB HIS 85 15.792 8.778 1.569
695 HD1 HIS 85 HD1 HIS 85 13.722 7.391 1.870
696 HD2 HIS 85 HD2 HIS 85 17.142 5.481 3.255
697 HE1 HIS 85 HE1 HIS 85 13.008 5.041 2.410
Start of MODEL 2
1 H1 GLY -3 H GLY -3 10.883 -7.074 -0.219
2 HA2 GLY -3 1HA GLY -3 12.758 -7.730 1.713
3 HA3 GLY -3 2HA GLY -3 13.567 -7.934 0.166
4 HA PRO -2 HA PRO -2 13.775 -3.465 1.636
5 HB2 PRO -2 1HB PRO -2 16.477 -3.339 1.864
6 HB3 PRO -2 2HB PRO -2 15.423 -3.836 3.193
7 HG2 PRO -2 1HG PRO -2 17.011 -5.527 1.301
8 HG3 PRO -2 2HG PRO -2 16.806 -5.700 3.054
9 HD2 PRO -2 1HD PRO -2 15.425 -7.199 1.271
10 HD3 PRO -2 2HD PRO -2 14.749 -6.716 2.840
11 H GLY -1 H GLY -1 13.933 -1.888 0.147
12 HA2 GLY -1 1HA GLY -1 15.832 -2.105 -2.045
13 HA3 GLY -1 2HA GLY -1 14.136 -2.159 -2.504
14 H SER 0 H SER 0 16.708 -0.168 -2.265
15 HA SER 0 HA SER 0 15.490 2.177 -1.172
16 HB2 SER 0 1HB SER 0 17.835 2.274 -3.042
17 HB3 SER 0 2HB SER 0 17.504 3.262 -1.620
18 HG SER 0 HG SER 0 18.851 1.911 -0.716
19 H MET 1 H MET 1 15.064 4.150 -2.374
20 HA MET 1 HA MET 1 14.210 3.644 -5.147
21 HB2 MET 1 1HB MET 1 12.268 3.714 -3.639
22 HB3 MET 1 2HB MET 1 12.763 5.305 -3.075
23 HG2 MET 1 1HG MET 1 11.079 5.732 -4.621
24 HG3 MET 1 2HG MET 1 12.572 6.043 -5.502
25 HE1 MET 1 3HE MET 1 10.148 2.256 -5.567
26 HE2 MET 1 1HE MET 1 10.010 3.636 -4.477
27 HE3 MET 1 2HE MET 1 9.145 3.636 -6.014
28 H LYS 2 H LYS 2 15.184 6.083 -2.771
29 HA LYS 2 HA LYS 2 15.836 7.941 -4.939
30 HB2 LYS 2 1HB LYS 2 15.595 8.274 -1.952
31 HB3 LYS 2 2HB LYS 2 16.280 9.523 -2.985
32 HG2 LYS 2 1HG LYS 2 13.537 8.378 -3.419
33 HG3 LYS 2 2HG LYS 2 13.846 9.776 -2.387
34 HD2 LYS 2 1HD LYS 2 14.383 11.133 -4.152
35 HD3 LYS 2 2HD LYS 2 14.954 9.792 -5.148
36 HE2 LYS 2 1HE LYS 2 12.055 10.093 -4.433
37 HE3 LYS 2 2HE LYS 2 12.755 10.947 -5.807
38 HZ1 LYS 2 3HZ LYS 2 12.224 8.101 -5.464
39 HZ2 LYS 2 1HZ LYS 2 13.627 8.515 -6.316
40 HZ3 LYS 2 2HZ LYS 2 12.119 9.063 -6.852
41 H GLU 3 H GLU 3 17.901 8.891 -5.126
42 HA GLU 3 HA GLU 3 20.068 7.629 -3.608
43 HB2 GLU 3 1HB GLU 3 21.345 7.129 -5.569
44 HB3 GLU 3 2HB GLU 3 19.751 6.417 -5.778
45 HG2 GLU 3 1HG GLU 3 20.568 9.065 -6.944
46 HG3 GLU 3 2HG GLU 3 20.677 7.530 -7.804
47 H ILE 4 H ILE 4 21.915 8.883 -3.363
48 HA ILE 4 HA ILE 4 21.607 11.697 -4.177
49 HB ILE 4 HB ILE 4 21.614 11.172 -1.703
50 HG12 ILE 4 1HG1 ILE 4 22.391 13.360 -2.956
51 HG13 ILE 4 2HG1 ILE 4 22.609 13.196 -1.217
52 HG21 ILE 4 1HG2 ILE 4 23.288 9.425 -1.691
53 HG22 ILE 4 2HG2 ILE 4 24.507 10.554 -2.279
54 HG23 ILE 4 3HG2 ILE 4 23.815 10.764 -0.671
55 HD11 ILE 4 3HD1 ILE 4 24.801 12.323 -3.026
56 HD12 ILE 4 1HD1 ILE 4 24.548 14.046 -2.750
57 HD13 ILE 4 2HD1 ILE 4 24.876 12.974 -1.389
58 H ILE 5 H ILE 5 23.225 12.720 -5.243
59 HA ILE 5 HA ILE 5 25.726 11.237 -5.693
60 HB ILE 5 HB ILE 5 24.456 12.872 -7.870
61 HG12 ILE 5 1HG1 ILE 5 24.087 9.913 -7.352
62 HG13 ILE 5 2HG1 ILE 5 22.833 11.146 -7.280
63 HG21 ILE 5 1HG2 ILE 5 25.925 11.630 -9.313
64 HG22 ILE 5 2HG2 ILE 5 26.866 12.302 -7.982
65 HG23 ILE 5 3HG2 ILE 5 26.426 10.594 -7.977
66 HD11 ILE 5 3HD1 ILE 5 24.311 10.170 -9.706
67 HD12 ILE 5 1HD1 ILE 5 22.596 9.992 -9.336
68 HD13 ILE 5 2HD1 ILE 5 23.257 11.585 -9.705
69 H LEU 6 H LEU 6 27.584 12.466 -5.906
70 HA LEU 6 HA LEU 6 27.277 15.347 -5.368
71 HB2 LEU 6 1HB LEU 6 29.773 14.735 -4.440
72 HB3 LEU 6 2HB LEU 6 28.324 14.910 -3.451
73 HG LEU 6 HG LEU 6 29.001 12.233 -4.589
74 HD11 LEU 6 1HD1 LEU 6 30.057 12.794 -1.907
75 HD12 LEU 6 2HD1 LEU 6 30.930 13.561 -3.233
76 HD13 LEU 6 3HD1 LEU 6 30.722 11.810 -3.212
77 HD21 LEU 6 3HD2 LEU 6 28.122 12.248 -1.883
78 HD22 LEU 6 1HD2 LEU 6 27.291 11.634 -3.312
79 HD23 LEU 6 2HD2 LEU 6 27.073 13.313 -2.819
80 H TYR 7 H TYR 7 27.869 16.496 -7.076
81 HA TYR 7 HA TYR 7 29.829 15.411 -8.950
82 HB2 TYR 7 1HB TYR 7 27.974 17.791 -9.121
83 HB3 TYR 7 2HB TYR 7 29.131 17.358 -10.374
84 HD1 TYR 7 HD2 TYR 7 28.878 15.138 -11.543
85 HD2 TYR 7 HD1 TYR 7 25.873 16.724 -8.983
86 HE1 TYR 7 HE2 TYR 7 27.228 13.616 -12.547
87 HE2 TYR 7 HE1 TYR 7 24.215 15.205 -9.979
88 HH TYR 7 HH TYR 7 24.294 12.935 -11.193
89 H THR 8 H THR 8 31.890 15.873 -8.603
90 HA THR 8 HA THR 8 32.908 18.481 -8.510
91 HB THR 8 HB THR 8 33.882 17.821 -6.003
92 HG1 THR 8 HG1 THR 8 31.095 17.657 -5.710
93 HG21 THR 8 3HG2 THR 8 32.007 19.798 -7.143
94 HG22 THR 8 1HG2 THR 8 33.473 20.042 -6.194
95 HG23 THR 8 2HG2 THR 8 31.963 19.613 -5.390
96 H ARG 9 H ARG 9 35.306 18.381 -7.561
97 HA ARG 9 HA ARG 9 36.562 16.187 -8.990
98 HB2 ARG 9 1HB ARG 9 38.672 17.472 -8.493
99 HB3 ARG 9 2HB ARG 9 37.480 18.334 -9.456
100 HG2 ARG 9 1HG ARG 9 37.058 18.847 -6.662
101 HG3 ARG 9 2HG ARG 9 38.728 19.197 -7.112
102 HD2 ARG 9 1HD ARG 9 38.108 20.816 -8.651
103 HD3 ARG 9 2HD ARG 9 36.477 20.168 -8.824
104 HE ARG 9 HE ARG 9 36.843 21.085 -6.190
105 HH11 ARG 9 1HH1 ARG 9 36.502 22.284 -9.440
106 HH12 ARG 9 2HH1 ARG 9 35.802 23.791 -8.950
107 HH21 ARG 9 1HH2 ARG 9 35.923 23.066 -5.532
108 HH22 ARG 9 2HH2 ARG 9 35.474 24.235 -6.727
109 HA PRO 10 HA PRO 10 37.717 13.767 -5.517
110 HB2 PRO 10 1HB PRO 10 40.164 12.862 -6.268
111 HB3 PRO 10 2HB PRO 10 38.661 12.289 -7.001
112 HG2 PRO 10 1HG PRO 10 40.599 14.336 -8.009
113 HG3 PRO 10 2HG PRO 10 39.776 13.041 -8.898
114 HD2 PRO 10 1HD PRO 10 38.939 15.615 -8.965
115 HD3 PRO 10 2HD PRO 10 37.819 14.243 -9.086
116 H ASN 11 H ASN 11 39.410 16.583 -6.337
117 HA ASN 11 HA ASN 11 41.208 16.397 -4.034
118 HB2 ASN 11 1HB ASN 11 41.047 18.542 -6.163
119 HB3 ASN 11 2HB ASN 11 42.303 18.376 -4.940
120 HD21 ASN 11 2HD2 ASN 11 41.559 17.808 -8.080
121 HD22 ASN 11 1HD2 ASN 11 42.693 16.550 -8.426
122 H CYS 12 H CYS 12 38.723 16.497 -3.119
123 HA CYS 12 HA CYS 12 38.297 19.307 -2.340
124 HB2 CYS 12 1HB CYS 12 35.929 18.552 -1.832
125 HB3 CYS 12 2HB CYS 12 36.370 18.599 -3.536
126 HA PRO 13 HA PRO 13 39.689 17.387 1.538
127 HB2 PRO 13 1HB PRO 13 40.487 19.732 2.650
128 HB3 PRO 13 2HB PRO 13 41.489 18.815 1.518
129 HG2 PRO 13 1HG PRO 13 39.756 21.202 1.009
130 HG3 PRO 13 2HG PRO 13 41.388 20.856 0.409
131 HD2 PRO 13 1HD PRO 13 39.172 20.480 -1.100
132 HD3 PRO 13 2HD PRO 13 40.617 19.461 -1.256
133 H TYR 14 H TYR 14 37.208 19.541 0.733
134 HA TYR 14 HA TYR 14 36.256 19.763 3.495
135 HB2 TYR 14 1HB TYR 14 35.496 21.156 0.935
136 HB3 TYR 14 2HB TYR 14 34.483 21.249 2.372
137 HD1 TYR 14 HD2 TYR 14 35.742 21.985 4.568
138 HD2 TYR 14 HD1 TYR 14 37.133 22.760 0.622
139 HE1 TYR 14 HE2 TYR 14 37.118 23.836 5.423
140 HE2 TYR 14 HE1 TYR 14 38.513 24.612 1.466
141 HH TYR 14 HH TYR 14 38.346 26.202 3.615
142 H CYS 15 H CYS 15 35.868 17.846 0.756
143 HA CYS 15 HA CYS 15 33.162 17.249 0.682
144 HB2 CYS 15 1HB CYS 15 35.650 15.758 -0.009
145 HB3 CYS 15 2HB CYS 15 34.140 14.854 0.060
146 H LYS 16 H LYS 16 35.526 16.445 3.064
147 HA LYS 16 HA LYS 16 34.555 14.167 4.246
148 HB2 LYS 16 1HB LYS 16 35.532 14.965 6.334
149 HB3 LYS 16 2HB LYS 16 36.592 15.330 4.979
150 HG2 LYS 16 1HG LYS 16 35.384 17.636 5.011
151 HG3 LYS 16 2HG LYS 16 34.966 17.176 6.663
152 HD2 LYS 16 1HD LYS 16 37.771 17.216 5.553
153 HD3 LYS 16 2HD LYS 16 37.050 18.520 6.499
154 HE2 LYS 16 1HE LYS 16 36.752 17.005 8.382
155 HE3 LYS 16 2HE LYS 16 37.414 15.674 7.435
156 HZ1 LYS 16 3HZ LYS 16 38.808 18.030 8.532
157 HZ2 LYS 16 1HZ LYS 16 39.455 17.185 7.217
158 HZ3 LYS 16 2HZ LYS 16 39.203 16.393 8.689
159 H ARG 17 H ARG 17 33.348 17.467 4.580
160 HA ARG 17 HA ARG 17 31.500 16.996 6.641
161 HB2 ARG 17 1HB ARG 17 31.546 19.037 4.419
162 HB3 ARG 17 2HB ARG 17 30.334 19.037 5.693
163 HG2 ARG 17 1HG ARG 17 32.296 19.116 7.322
164 HG3 ARG 17 2HG ARG 17 33.282 19.527 5.918
165 HD2 ARG 17 1HD ARG 17 31.375 21.306 5.532
166 HD3 ARG 17 2HD ARG 17 31.137 21.092 7.266
167 HE ARG 17 HE ARG 17 33.258 22.500 5.998
168 HH11 ARG 17 1HH1 ARG 17 32.491 20.518 8.756
169 HH12 ARG 17 2HH1 ARG 17 33.743 21.187 9.749
170 HH21 ARG 17 1HH2 ARG 17 34.910 23.388 7.296
171 HH22 ARG 17 2HH2 ARG 17 35.118 22.821 8.918
172 H ALA 18 H ALA 18 30.971 17.143 3.117
173 HA ALA 18 HA ALA 18 28.272 16.435 3.138
174 HB1 ALA 18 1HB ALA 18 28.942 17.253 1.104
175 HB2 ALA 18 2HB ALA 18 30.439 16.318 1.097
176 HB3 ALA 18 3HB ALA 18 28.901 15.523 0.760
177 H ARG 19 H ARG 19 31.064 14.321 2.438
178 HA ARG 19 HA ARG 19 29.686 11.920 2.292
179 HB2 ARG 19 1HB ARG 19 31.777 10.830 2.535
180 HB3 ARG 19 2HB ARG 19 32.117 12.353 1.725
181 HG2 ARG 19 1HG ARG 19 32.844 13.318 3.854
182 HG3 ARG 19 2HG ARG 19 32.518 11.779 4.654
183 HD2 ARG 19 1HD ARG 19 34.111 10.858 2.764
184 HD3 ARG 19 2HD ARG 19 34.692 12.522 2.761
185 HE ARG 19 HE ARG 19 34.656 11.714 5.403
186 HH11 ARG 19 1HH1 ARG 19 36.237 10.751 2.455
187 HH12 ARG 19 2HH1 ARG 19 37.656 10.160 3.256
188 HH21 ARG 19 1HH2 ARG 19 36.518 10.939 6.469
189 HH22 ARG 19 2HH2 ARG 19 37.814 10.266 5.539
190 H ASP 20 H ASP 20 30.727 13.738 5.088
191 HA ASP 20 HA ASP 20 30.387 11.675 7.006
192 HB2 ASP 20 1HB ASP 20 31.737 13.610 7.540
193 HB3 ASP 20 2HB ASP 20 30.362 14.684 7.296
194 H LEU 21 H LEU 21 28.277 14.271 5.840
195 HA LEU 21 HA LEU 21 26.135 13.817 7.593
196 HB2 LEU 21 1HB LEU 21 26.505 15.796 6.067
197 HB3 LEU 21 2HB LEU 21 25.892 14.789 4.756
198 HG LEU 21 HG LEU 21 24.201 15.152 7.183
199 HD11 LEU 21 1HD1 LEU 21 24.369 17.384 6.982
200 HD12 LEU 21 2HD1 LEU 21 23.297 17.148 5.602
201 HD13 LEU 21 3HD1 LEU 21 25.037 17.295 5.352
202 HD21 LEU 21 3HD2 LEU 21 23.688 14.833 4.230
203 HD22 LEU 21 1HD2 LEU 21 22.428 15.089 5.438
204 HD23 LEU 21 2HD2 LEU 21 23.424 13.635 5.498
205 H LEU 22 H LEU 22 26.603 12.687 4.245
206 HA LEU 22 HA LEU 22 24.286 11.105 4.130
207 HB2 LEU 22 1HB LEU 22 26.791 10.420 2.640
208 HB3 LEU 22 2HB LEU 22 25.113 10.251 2.125
209 HG LEU 22 HG LEU 22 26.669 12.826 2.356
210 HD11 LEU 22 1HD1 LEU 22 27.257 11.384 0.436
211 HD12 LEU 22 2HD1 LEU 22 26.509 12.907 -0.044
212 HD13 LEU 22 3HD1 LEU 22 25.568 11.416 -0.069
213 HD21 LEU 22 3HD2 LEU 22 24.451 13.492 1.010
214 HD22 LEU 22 1HD2 LEU 22 24.599 13.645 2.761
215 HD23 LEU 22 2HD2 LEU 22 23.786 12.243 2.064
216 H ASP 23 H ASP 23 27.662 10.180 4.787
217 HA ASP 23 HA ASP 23 27.217 7.460 5.222
218 HB2 ASP 23 1HB ASP 23 29.460 8.291 4.951
219 HB3 ASP 23 2HB ASP 23 29.307 9.311 6.379
220 H LYS 24 H LYS 24 26.977 10.207 7.419
221 HA LYS 24 HA LYS 24 26.644 8.735 9.802
222 HB2 LYS 24 1HB LYS 24 26.060 11.534 8.939
223 HB3 LYS 24 2HB LYS 24 25.363 10.959 10.448
224 HG2 LYS 24 1HG LYS 24 28.299 10.776 9.841
225 HG3 LYS 24 2HG LYS 24 27.562 12.177 10.623
226 HD2 LYS 24 1HD LYS 24 27.037 9.453 11.723
227 HD3 LYS 24 2HD LYS 24 28.588 10.229 12.052
228 HE2 LYS 24 1HE LYS 24 27.342 10.942 13.848
229 HE3 LYS 24 2HE LYS 24 27.094 12.269 12.714
230 HZ1 LYS 24 3HZ LYS 24 25.192 10.071 12.573
231 HZ2 LYS 24 1HZ LYS 24 24.937 11.737 12.421
232 HZ3 LYS 24 2HZ LYS 24 25.107 11.044 13.954
233 H LYS 25 H LYS 25 24.356 9.910 7.388
234 HA LYS 25 HA LYS 25 22.019 9.173 8.837
235 HB2 LYS 25 1HB LYS 25 22.656 10.213 6.160
236 HB3 LYS 25 2HB LYS 25 21.221 9.198 6.222
237 HG2 LYS 25 1HG LYS 25 20.709 11.582 6.499
238 HG3 LYS 25 2HG LYS 25 20.235 10.622 7.903
239 HD2 LYS 25 1HD LYS 25 22.948 11.600 8.150
240 HD3 LYS 25 2HD LYS 25 21.804 12.921 7.901
241 HE2 LYS 25 1HE LYS 25 20.403 11.763 9.724
242 HE3 LYS 25 2HE LYS 25 21.883 10.882 10.100
243 HZ1 LYS 25 3HZ LYS 25 22.801 13.374 10.038
244 HZ2 LYS 25 1HZ LYS 25 22.222 12.635 11.445
245 HZ3 LYS 25 2HZ LYS 25 21.219 13.671 10.561
246 H GLY 26 H GLY 26 24.125 7.535 6.566
247 HA2 GLY 26 1HA GLY 26 24.355 5.185 6.476
248 HA3 GLY 26 2HA GLY 26 22.759 5.025 7.194
249 H VAL 27 H VAL 27 23.832 6.853 4.343
250 HA VAL 27 HA VAL 27 21.966 5.235 2.730
251 HB VAL 27 HB VAL 27 21.958 7.394 1.252
252 HG11 VAL 27 1HG1 VAL 27 19.968 6.507 2.257
253 HG12 VAL 27 2HG1 VAL 27 20.438 7.125 3.842
254 HG13 VAL 27 3HG1 VAL 27 20.012 8.246 2.548
255 HG21 VAL 27 3HG2 VAL 27 22.137 9.458 2.545
256 HG22 VAL 27 1HG2 VAL 27 22.626 8.534 3.965
257 HG23 VAL 27 2HG2 VAL 27 23.667 8.581 2.542
258 H LYS 28 H LYS 28 22.501 5.621 0.276
259 HA LYS 28 HA LYS 28 25.375 5.081 -0.032
260 HB2 LYS 28 1HB LYS 28 22.931 4.022 -1.333
261 HB3 LYS 28 2HB LYS 28 24.335 4.238 -2.370
262 HG2 LYS 28 1HG LYS 28 24.658 2.815 0.226
263 HG3 LYS 28 2HG LYS 28 23.915 1.974 -1.137
264 HD2 LYS 28 1HD LYS 28 25.869 2.398 -2.505
265 HD3 LYS 28 2HD LYS 28 26.602 3.347 -1.210
266 HE2 LYS 28 1HE LYS 28 26.606 1.333 0.217
267 HE3 LYS 28 2HE LYS 28 25.950 0.402 -1.129
268 HZ1 LYS 28 3HZ LYS 28 28.470 1.912 -1.415
269 HZ2 LYS 28 1HZ LYS 28 27.912 0.598 -2.323
270 HZ3 LYS 28 2HZ LYS 28 28.460 0.361 -0.740
271 H TYR 29 H TYR 29 26.509 6.734 -0.789
272 HA TYR 29 HA TYR 29 25.202 8.639 -2.609
273 HB2 TYR 29 1HB TYR 29 26.864 10.257 -1.931
274 HB3 TYR 29 2HB TYR 29 26.138 9.554 -0.491
275 HD1 TYR 29 HD2 TYR 29 29.163 9.613 -2.600
276 HD2 TYR 29 HD1 TYR 29 27.444 8.293 1.061
277 HE1 TYR 29 HE2 TYR 29 31.401 9.024 -1.768
278 HE2 TYR 29 HE1 TYR 29 29.678 7.702 1.904
279 HH TYR 29 HH TYR 29 32.592 8.340 -0.014
280 H THR 30 H THR 30 26.202 9.267 -4.523
281 HA THR 30 HA THR 30 28.372 7.489 -5.430
282 HB THR 30 HB THR 30 26.119 8.711 -7.031
283 HG1 THR 30 HG1 THR 30 25.272 6.762 -6.924
284 HG21 THR 30 3HG2 THR 30 27.137 7.343 -8.908
285 HG22 THR 30 1HG2 THR 30 28.585 7.220 -7.909
286 HG23 THR 30 2HG2 THR 30 28.016 8.801 -8.448
287 H ASP 31 H ASP 31 30.244 8.499 -5.678
288 HA ASP 31 HA ASP 31 30.367 11.377 -5.906
289 HB2 ASP 31 1HB ASP 31 32.010 10.384 -4.490
290 HB3 ASP 31 2HB ASP 31 32.479 9.228 -5.733
291 H ILE 32 H ILE 32 30.772 12.545 -7.692
292 HA ILE 32 HA ILE 32 31.333 11.070 -10.182
293 HB ILE 32 HB ILE 32 29.703 13.595 -9.877
294 HG12 ILE 32 1HG1 ILE 32 28.580 11.519 -9.076
295 HG13 ILE 32 2HG1 ILE 32 27.786 12.242 -10.471
296 HG21 ILE 32 1HG2 ILE 32 30.820 12.160 -12.212
297 HG22 ILE 32 2HG2 ILE 32 29.176 12.780 -12.361
298 HG23 ILE 32 3HG2 ILE 32 30.502 13.879 -11.981
299 HD11 ILE 32 3HD1 ILE 32 29.798 10.227 -11.139
300 HD12 ILE 32 1HD1 ILE 32 28.420 9.618 -10.222
301 HD13 ILE 32 2HD1 ILE 32 28.161 10.453 -11.754
302 H ASP 33 H ASP 33 33.233 11.530 -11.051
303 HA ASP 33 HA ASP 33 35.040 13.399 -10.099
304 HB2 ASP 33 1HB ASP 33 34.798 11.946 -12.716
305 HB3 ASP 33 2HB ASP 33 36.076 13.133 -12.474
306 H ALA 34 H ALA 34 35.649 15.458 -10.691
307 HA ALA 34 HA ALA 34 33.653 17.235 -11.510
308 HB1 ALA 34 1HB ALA 34 35.274 18.287 -10.287
309 HB2 ALA 34 2HB ALA 34 36.592 17.437 -11.095
310 HB3 ALA 34 3HB ALA 34 35.761 18.759 -11.915
311 H SER 35 H SER 35 35.725 15.233 -13.352
312 HA SER 35 HA SER 35 36.144 16.619 -15.691
313 HB2 SER 35 1HB SER 35 36.755 14.159 -14.985
314 HB3 SER 35 2HB SER 35 35.272 13.756 -15.851
315 HG SER 35 HG SER 35 37.619 14.979 -16.842
316 H THR 36 H THR 36 34.638 17.877 -16.608
317 HA THR 36 HA THR 36 31.894 17.560 -16.590
318 HB THR 36 HB THR 36 31.799 19.084 -18.493
319 HG1 THR 36 HG1 THR 36 33.336 18.772 -19.923
320 HG21 THR 36 3HG2 THR 36 33.477 20.838 -17.581
321 HG22 THR 36 1HG2 THR 36 33.807 19.634 -16.336
322 HG23 THR 36 2HG2 THR 36 32.176 20.277 -16.531
323 H SER 37 H SER 37 34.271 15.989 -18.579
324 HA SER 37 HA SER 37 32.814 15.180 -20.770
325 HB2 SER 37 1HB SER 37 35.050 14.565 -20.874
326 HB3 SER 37 2HB SER 37 35.058 13.929 -19.229
327 HG SER 37 HG SER 37 33.570 12.724 -21.311
328 H LEU 38 H LEU 38 32.636 14.032 -17.481
329 HA LEU 38 HA LEU 38 30.513 12.157 -18.293
330 HB2 LEU 38 1HB LEU 38 32.729 11.900 -16.335
331 HB3 LEU 38 2HB LEU 38 31.186 11.152 -15.929
332 HG LEU 38 HG LEU 38 32.710 10.574 -18.464
333 HD11 LEU 38 1HD1 LEU 38 33.967 9.057 -17.421
334 HD12 LEU 38 2HD1 LEU 38 32.614 8.476 -16.450
335 HD13 LEU 38 3HD1 LEU 38 33.529 9.891 -15.930
336 HD21 LEU 38 3HD2 LEU 38 30.708 9.724 -19.006
337 HD22 LEU 38 1HD2 LEU 38 30.131 9.759 -17.339
338 HD23 LEU 38 2HD2 LEU 38 31.139 8.423 -17.895
339 H ARG 39 H ARG 39 31.580 14.573 -15.986
340 HA ARG 39 HA ARG 39 29.361 14.411 -14.239
341 HB2 ARG 39 1HB ARG 39 31.278 15.498 -13.396
342 HB3 ARG 39 2HB ARG 39 31.400 16.550 -14.800
343 HG2 ARG 39 1HG ARG 39 29.605 17.885 -14.095
344 HG3 ARG 39 2HG ARG 39 29.074 16.688 -12.912
345 HD2 ARG 39 1HD ARG 39 30.145 18.427 -11.702
346 HD3 ARG 39 2HD ARG 39 31.251 17.054 -11.716
347 HE ARG 39 HE ARG 39 32.752 18.360 -12.824
348 HH11 ARG 39 1HH1 ARG 39 29.571 19.699 -13.286
349 HH12 ARG 39 2HH1 ARG 39 30.140 21.093 -14.143
350 HH21 ARG 39 1HH2 ARG 39 33.513 20.192 -13.951
351 HH22 ARG 39 2HH2 ARG 39 32.382 21.372 -14.521
352 H GLN 40 H GLN 40 30.084 16.572 -16.969
353 HA GLN 40 HA GLN 40 27.752 18.109 -16.843
354 HB2 GLN 40 1HB GLN 40 29.849 18.514 -18.241
355 HB3 GLN 40 2HB GLN 40 29.165 17.389 -19.406
356 HG2 GLN 40 1HG GLN 40 27.150 18.855 -19.521
357 HG3 GLN 40 2HG GLN 40 28.013 20.020 -18.518
358 HE21 GLN 40 2HE2 GLN 40 27.110 20.774 -20.957
359 HE22 GLN 40 1HE2 GLN 40 28.434 20.992 -22.045
360 H GLU 41 H GLU 41 28.425 15.072 -18.527
361 HA GLU 41 HA GLU 41 25.953 14.913 -19.891
362 HB2 GLU 41 1HB GLU 41 27.551 12.515 -19.030
363 HB3 GLU 41 2HB GLU 41 26.570 12.716 -20.474
364 HG2 GLU 41 1HG GLU 41 28.241 14.492 -21.178
365 HG3 GLU 41 2HG GLU 41 29.267 13.882 -19.881
366 H MET 42 H MET 42 27.074 13.540 -16.815
367 HA MET 42 HA MET 42 24.701 12.142 -16.212
368 HB2 MET 42 1HB MET 42 27.202 12.767 -14.890
369 HB3 MET 42 2HB MET 42 25.851 12.864 -13.769
370 HG2 MET 42 1HG MET 42 26.411 10.669 -13.550
371 HG3 MET 42 2HG MET 42 25.207 10.560 -14.833
372 HE1 MET 42 3HE MET 42 29.709 9.809 -15.151
373 HE2 MET 42 1HE MET 42 29.058 11.221 -14.318
374 HE3 MET 42 2HE MET 42 28.697 9.601 -13.721
375 H VAL 43 H VAL 43 25.883 15.308 -15.081
376 HA VAL 43 HA VAL 43 23.625 15.968 -13.551
377 HB VAL 43 HB VAL 43 25.864 17.132 -13.497
378 HG11 VAL 43 1HG1 VAL 43 26.219 18.991 -15.035
379 HG12 VAL 43 2HG1 VAL 43 26.113 17.462 -15.910
380 HG13 VAL 43 3HG1 VAL 43 24.741 18.570 -15.900
381 HG21 VAL 43 3HG2 VAL 43 24.392 18.240 -12.163
382 HG22 VAL 43 1HG2 VAL 43 24.630 19.490 -13.385
383 HG23 VAL 43 2HG2 VAL 43 23.208 18.449 -13.453
384 H GLN 44 H GLN 44 24.287 16.255 -16.971
385 HA GLN 44 HA GLN 44 22.159 18.034 -17.586
386 HB2 GLN 44 1HB GLN 44 23.998 16.281 -19.136
387 HB3 GLN 44 2HB GLN 44 22.525 16.820 -19.932
388 HG2 GLN 44 1HG GLN 44 23.809 19.024 -18.614
389 HG3 GLN 44 2HG GLN 44 24.940 18.200 -19.687
390 HE21 GLN 44 2HE2 GLN 44 23.527 17.437 -21.777
391 HE22 GLN 44 1HE2 GLN 44 22.778 18.776 -22.571
392 H ARG 45 H ARG 45 22.497 14.502 -17.821
393 HA ARG 45 HA ARG 45 19.758 14.156 -18.631
394 HB2 ARG 45 1HB ARG 45 21.772 12.655 -19.212
395 HB3 ARG 45 2HB ARG 45 21.556 11.973 -17.606
396 HG2 ARG 45 1HG ARG 45 19.086 11.655 -18.391
397 HG3 ARG 45 2HG ARG 45 19.798 11.776 -20.001
398 HD2 ARG 45 1HD ARG 45 21.170 9.891 -19.644
399 HD3 ARG 45 2HD ARG 45 20.866 9.904 -17.908
400 HE ARG 45 HE ARG 45 18.407 9.510 -18.961
401 HH11 ARG 45 1HH1 ARG 45 21.482 7.941 -19.409
402 HH12 ARG 45 2HH1 ARG 45 20.789 6.392 -19.757
403 HH21 ARG 45 1HH2 ARG 45 17.482 7.476 -19.417
404 HH22 ARG 45 2HH2 ARG 45 18.513 6.129 -19.762
405 H ALA 46 H ALA 46 21.293 14.690 -15.694
406 HA ALA 46 HA ALA 46 19.343 13.194 -14.118
407 HB1 ALA 46 1HB ALA 46 21.557 13.010 -13.293
408 HB2 ALA 46 2HB ALA 46 21.803 14.755 -13.363
409 HB3 ALA 46 3HB ALA 46 20.692 14.068 -12.178
410 H ASN 47 H ASN 47 20.341 16.526 -14.761
411 HA ASN 47 HA ASN 47 18.008 17.484 -13.253
412 HB2 ASN 47 1HB ASN 47 19.658 18.793 -12.400
413 HB3 ASN 47 2HB ASN 47 20.694 18.583 -13.808
414 HD21 ASN 47 2HD2 ASN 47 20.897 20.230 -15.153
415 HD22 ASN 47 1HD2 ASN 47 19.879 21.626 -15.198
416 H GLY 48 H GLY 48 19.714 17.916 -16.342
417 HA2 GLY 48 1HA GLY 48 17.977 17.782 -18.239
418 HA3 GLY 48 2HA GLY 48 17.292 19.186 -17.433
419 H ARG 49 H ARG 49 19.561 20.598 -16.760
420 HA ARG 49 HA ARG 49 21.280 20.895 -19.043
421 HB2 ARG 49 1HB ARG 49 19.349 22.043 -19.932
422 HB3 ARG 49 2HB ARG 49 19.181 22.988 -18.458
423 HG2 ARG 49 1HG ARG 49 21.441 23.969 -18.956
424 HG3 ARG 49 2HG ARG 49 21.346 23.181 -20.533
425 HD2 ARG 49 1HD ARG 49 19.192 25.015 -19.520
426 HD3 ARG 49 2HD ARG 49 20.600 25.615 -20.396
427 HE ARG 49 HE ARG 49 19.348 23.519 -21.831
428 HH11 ARG 49 1HH1 ARG 49 18.982 26.878 -20.994
429 HH12 ARG 49 2HH1 ARG 49 18.063 27.265 -22.410
430 HH21 ARG 49 1HH2 ARG 49 18.139 24.016 -23.700
431 HH22 ARG 49 2HH2 ARG 49 17.584 25.637 -23.949
432 H ASN 50 H ASN 50 22.982 20.738 -17.621
433 HA ASN 50 HA ASN 50 23.652 23.152 -16.194
434 HB2 ASN 50 1HB ASN 50 22.281 21.837 -14.554
435 HB3 ASN 50 2HB ASN 50 23.496 20.565 -14.636
436 HD21 ASN 50 2HD2 ASN 50 25.643 21.062 -13.928
437 HD22 ASN 50 1HD2 ASN 50 25.896 22.285 -12.733
438 H THR 51 H THR 51 25.857 23.340 -15.759
439 HA THR 51 HA THR 51 27.604 21.101 -16.416
440 HB THR 51 HB THR 51 27.345 22.165 -18.576
441 HG1 THR 51 HG1 THR 51 29.534 22.564 -18.954
442 HG21 THR 51 3HG2 THR 51 26.701 24.414 -17.540
443 HG22 THR 51 1HG2 THR 51 27.687 24.453 -19.001
444 HG23 THR 51 2HG2 THR 51 28.433 24.721 -17.426
445 H PHE 52 H PHE 52 27.341 21.913 -13.921
446 HA PHE 52 HA PHE 52 29.917 23.116 -13.344
447 HB2 PHE 52 1HB PHE 52 27.300 24.370 -12.544
448 HB3 PHE 52 2HB PHE 52 28.768 24.639 -11.610
449 HD1 PHE 52 HD2 PHE 52 30.627 25.898 -12.548
450 HD2 PHE 52 HD1 PHE 52 27.009 25.340 -14.719
451 HE1 PHE 52 HE2 PHE 52 31.278 27.702 -14.090
452 HE2 PHE 52 HE1 PHE 52 27.655 27.142 -16.265
453 HZ PHE 52 HZ PHE 52 29.791 28.326 -15.951
454 HA PRO 53 HA PRO 53 29.921 20.265 -10.009
455 HB2 PRO 53 1HB PRO 53 31.406 21.586 -8.159
456 HB3 PRO 53 2HB PRO 53 32.100 20.886 -9.626
457 HG2 PRO 53 1HG PRO 53 31.330 23.723 -9.063
458 HG3 PRO 53 2HG PRO 53 32.778 23.097 -9.873
459 HD2 PRO 53 1HD PRO 53 30.667 24.103 -11.237
460 HD3 PRO 53 2HD PRO 53 31.680 22.793 -11.876
461 H GLN 54 H GLN 54 28.597 19.722 -8.373
462 HA GLN 54 HA GLN 54 27.765 21.442 -6.307
463 HB2 GLN 54 1HB GLN 54 25.437 21.795 -6.874
464 HB3 GLN 54 2HB GLN 54 26.458 22.479 -8.133
465 HG2 GLN 54 1HG GLN 54 25.012 21.420 -9.485
466 HG3 GLN 54 2HG GLN 54 26.059 20.040 -9.163
467 HE21 GLN 54 2HE2 GLN 54 24.769 18.335 -9.079
468 HE22 GLN 54 1HE2 GLN 54 23.338 18.200 -8.120
469 H ILE 55 H ILE 55 25.711 20.441 -5.183
470 HA ILE 55 HA ILE 55 26.200 17.548 -5.075
471 HB ILE 55 HB ILE 55 24.876 19.353 -3.047
472 HG12 ILE 55 1HG1 ILE 55 27.015 18.492 -1.756
473 HG13 ILE 55 2HG1 ILE 55 27.650 18.288 -3.385
474 HG21 ILE 55 1HG2 ILE 55 23.913 17.410 -2.434
475 HG22 ILE 55 2HG2 ILE 55 25.102 16.429 -3.289
476 HG23 ILE 55 3HG2 ILE 55 25.486 17.096 -1.702
477 HD11 ILE 55 3HD1 ILE 55 27.538 20.574 -3.835
478 HD12 ILE 55 1HD1 ILE 55 26.455 20.879 -2.477
479 HD13 ILE 55 2HD1 ILE 55 28.146 20.473 -2.183
480 H PHE 56 H PHE 56 24.781 16.285 -6.060
481 HA PHE 56 HA PHE 56 22.070 17.269 -6.547
482 HB2 PHE 56 1HB PHE 56 23.829 15.987 -8.203
483 HB3 PHE 56 2HB PHE 56 22.821 14.651 -7.658
484 HD1 PHE 56 HD2 PHE 56 20.216 15.193 -7.711
485 HD2 PHE 56 HD1 PHE 56 23.179 17.113 -10.088
486 HE1 PHE 56 HE2 PHE 56 18.490 15.828 -9.344
487 HE2 PHE 56 HE1 PHE 56 21.457 17.752 -11.725
488 HZ PHE 56 HZ PHE 56 19.109 17.109 -11.355
489 H ILE 57 H ILE 57 20.237 16.188 -5.883
490 HA ILE 57 HA ILE 57 20.569 13.796 -4.227
491 HB ILE 57 HB ILE 57 18.867 14.845 -2.609
492 HG12 ILE 57 1HG1 ILE 57 18.690 16.867 -4.296
493 HG13 ILE 57 2HG1 ILE 57 18.559 17.131 -2.561
494 HG21 ILE 57 1HG2 ILE 57 20.924 14.403 -1.676
495 HG22 ILE 57 2HG2 ILE 57 21.779 15.464 -2.794
496 HG23 ILE 57 3HG2 ILE 57 20.825 16.152 -1.481
497 HD11 ILE 57 3HD1 ILE 57 20.578 18.176 -2.430
498 HD12 ILE 57 1HD1 ILE 57 21.243 17.310 -3.815
499 HD13 ILE 57 2HD1 ILE 57 20.098 18.629 -4.065
500 H GLY 58 H GLY 58 19.413 12.405 -5.437
501 HA2 GLY 58 1HA GLY 58 17.570 11.395 -6.362
502 HA3 GLY 58 2HA GLY 58 16.595 12.536 -5.447
503 H ASP 59 H ASP 59 15.894 14.442 -6.420
504 HA ASP 59 HA ASP 59 16.441 14.700 -9.298
505 HB2 ASP 59 1HB ASP 59 13.765 14.635 -7.918
506 HB3 ASP 59 2HB ASP 59 13.975 15.420 -9.481
507 H TYR 60 H TYR 60 17.308 16.109 -6.772
508 HA TYR 60 HA TYR 60 16.560 18.822 -7.636
509 HB2 TYR 60 1HB TYR 60 15.399 18.439 -5.568
510 HB3 TYR 60 2HB TYR 60 16.850 17.791 -4.811
511 HD1 TYR 60 HD2 TYR 60 15.556 20.915 -6.389
512 HD2 TYR 60 HD1 TYR 60 18.170 19.187 -3.511
513 HE1 TYR 60 HE2 TYR 60 16.119 23.161 -5.561
514 HE2 TYR 60 HE1 TYR 60 18.739 21.429 -2.674
515 HH TYR 60 HH TYR 60 17.384 23.815 -2.736
516 H HIS 61 H HIS 61 18.169 20.390 -7.538
517 HA HIS 61 HA HIS 61 20.890 19.361 -7.065
518 HB2 HIS 61 1HB HIS 61 21.625 21.047 -8.775
519 HB3 HIS 61 2HB HIS 61 20.623 19.749 -9.418
520 HD1 HIS 61 HD1 HIS 61 18.030 20.424 -9.804
521 HD2 HIS 61 HD2 HIS 61 20.716 23.555 -9.316
522 HE1 HIS 61 HE1 HIS 61 16.852 22.464 -10.685
523 H VAL 62 H VAL 62 21.851 20.255 -5.375
524 HA VAL 62 HA VAL 62 20.809 22.533 -4.033
525 HB VAL 62 HB VAL 62 23.430 21.075 -3.687
526 HG11 VAL 62 1HG1 VAL 62 24.064 22.891 -2.541
527 HG12 VAL 62 2HG1 VAL 62 22.427 23.550 -2.498
528 HG13 VAL 62 3HG1 VAL 62 22.924 22.338 -1.315
529 HG21 VAL 62 3HG2 VAL 62 20.808 20.356 -3.026
530 HG22 VAL 62 1HG2 VAL 62 22.300 19.594 -2.474
531 HG23 VAL 62 2HG2 VAL 62 21.555 20.872 -1.514
532 H GLY 63 H GLY 63 24.170 22.171 -5.140
533 HA2 GLY 63 1HA GLY 63 24.888 23.763 -6.953
534 HA3 GLY 63 2HA GLY 63 24.065 24.994 -6.007
535 H GLY 64 H GLY 64 24.867 24.435 -3.455
536 HA2 GLY 64 1HA GLY 64 27.812 24.557 -3.589
537 HA3 GLY 64 2HA GLY 64 26.900 25.760 -2.689
538 H CYS 65 H CYS 65 28.861 23.382 -2.114
539 HA CYS 65 HA CYS 65 27.617 21.479 -0.540
540 HB2 CYS 65 1HB CYS 65 29.826 21.370 0.693
541 HB3 CYS 65 2HB CYS 65 29.924 21.198 -1.055
542 HG CYS 65 HG CYS 65 32.117 22.688 -0.307
543 H ASP 66 H ASP 66 28.710 24.724 0.344
544 HA ASP 66 HA ASP 66 28.197 24.548 3.101
545 HB2 ASP 66 1HB ASP 66 28.200 27.014 3.063
546 HB3 ASP 66 2HB ASP 66 29.549 26.344 2.151
547 H ASP 67 H ASP 67 26.100 24.983 0.384
548 HA ASP 67 HA ASP 67 23.899 26.134 1.759
549 HB2 ASP 67 1HB ASP 67 24.512 25.488 -0.893
550 HB3 ASP 67 2HB ASP 67 23.112 24.495 -0.498
551 H LEU 68 H LEU 68 24.822 22.808 0.991
552 HA LEU 68 HA LEU 68 22.452 21.623 2.023
553 HB2 LEU 68 1HB LEU 68 23.380 19.623 1.459
554 HB3 LEU 68 2HB LEU 68 24.329 20.695 0.432
555 HG LEU 68 HG LEU 68 25.971 20.647 2.505
556 HD11 LEU 68 1HD1 LEU 68 25.060 19.324 4.100
557 HD12 LEU 68 2HD1 LEU 68 25.848 18.062 3.155
558 HD13 LEU 68 3HD1 LEU 68 24.126 18.377 2.942
559 HD21 LEU 68 3HD2 LEU 68 27.199 19.754 0.890
560 HD22 LEU 68 1HD2 LEU 68 25.746 19.249 0.027
561 HD23 LEU 68 2HD2 LEU 68 26.474 18.181 1.228
562 H TYR 69 H TYR 69 25.569 22.469 3.394
563 HA TYR 69 HA TYR 69 25.209 21.061 5.845
564 HB2 TYR 69 1HB TYR 69 27.013 23.422 5.283
565 HB3 TYR 69 2HB TYR 69 27.158 22.290 6.622
566 HD1 TYR 69 HD2 TYR 69 26.695 19.722 5.178
567 HD2 TYR 69 HD1 TYR 69 29.028 23.121 4.126
568 HE1 TYR 69 HE2 TYR 69 28.155 18.289 3.813
569 HE2 TYR 69 HE1 TYR 69 30.494 21.698 2.757
570 HH TYR 69 HH TYR 69 30.666 19.643 1.768
571 H ALA 70 H ALA 70 24.991 24.517 5.000
572 HA ALA 70 HA ALA 70 24.112 25.411 7.507
573 HB1 ALA 70 1HB ALA 70 23.316 26.715 4.925
574 HB2 ALA 70 2HB ALA 70 23.662 27.466 6.483
575 HB3 ALA 70 3HB ALA 70 24.973 26.777 5.526
576 H LEU 71 H LEU 71 22.250 24.558 4.597
577 HA LEU 71 HA LEU 71 19.707 25.086 5.635
578 HB2 LEU 71 1HB LEU 71 20.672 23.204 3.501
579 HB3 LEU 71 2HB LEU 71 18.963 23.371 3.900
580 HG LEU 71 HG LEU 71 20.739 25.600 2.908
581 HD11 LEU 71 1HD1 LEU 71 19.355 25.390 0.845
582 HD12 LEU 71 2HD1 LEU 71 18.712 23.881 1.492
583 HD13 LEU 71 3HD1 LEU 71 20.434 24.026 1.138
584 HD21 LEU 71 3HD2 LEU 71 19.102 26.997 3.449
585 HD22 LEU 71 1HD2 LEU 71 18.295 25.672 4.287
586 HD23 LEU 71 2HD2 LEU 71 17.918 26.006 2.596
587 H GLU 72 H GLU 72 21.537 22.037 5.529
588 HA GLU 72 HA GLU 72 19.644 20.392 6.731
589 HB2 GLU 72 1HB GLU 72 21.559 19.392 5.729
590 HB3 GLU 72 2HB GLU 72 22.657 20.304 6.756
591 HG2 GLU 72 1HG GLU 72 20.711 18.434 8.012
592 HG3 GLU 72 2HG GLU 72 22.154 17.788 7.233
593 H ASN 73 H ASN 73 22.092 22.478 8.195
594 HA ASN 73 HA ASN 73 21.402 21.676 10.877
595 HB2 ASN 73 1HB ASN 73 23.686 22.596 9.903
596 HB3 ASN 73 2HB ASN 73 22.974 24.154 10.314
597 HD21 ASN 73 2HD2 ASN 73 24.401 24.609 11.941
598 HD22 ASN 73 1HD2 ASN 73 24.431 23.750 13.440
599 H LYS 74 H LYS 74 20.203 23.893 8.604
600 HA LYS 74 HA LYS 74 19.150 25.771 10.536
601 HB2 LYS 74 1HB LYS 74 19.409 25.621 7.633
602 HB3 LYS 74 2HB LYS 74 17.845 26.246 8.139
603 HG2 LYS 74 1HG LYS 74 18.726 28.218 8.621
604 HG3 LYS 74 2HG LYS 74 19.936 27.477 9.670
605 HD2 LYS 74 1HD LYS 74 21.499 27.313 7.968
606 HD3 LYS 74 2HD LYS 74 20.273 27.376 6.700
607 HE2 LYS 74 1HE LYS 74 20.854 29.708 8.508
608 HE3 LYS 74 2HE LYS 74 21.727 29.440 7.001
609 HZ1 LYS 74 3HZ LYS 74 19.989 30.111 5.786
610 HZ2 LYS 74 1HZ LYS 74 19.446 30.838 7.214
611 HZ3 LYS 74 2HZ LYS 74 18.852 29.321 6.758
612 H GLY 75 H GLY 75 18.149 22.855 8.998
613 HA2 GLY 75 1HA GLY 75 16.203 21.918 10.407
614 HA3 GLY 75 2HA GLY 75 15.352 23.324 9.785
615 H LYS 76 H LYS 76 17.327 22.557 7.348
616 HA LYS 76 HA LYS 76 15.222 21.277 5.854
617 HB2 LYS 76 1HB LYS 76 18.039 22.038 5.059
618 HB3 LYS 76 2HB LYS 76 16.807 21.444 3.954
619 HG2 LYS 76 1HG LYS 76 16.705 24.005 5.534
620 HG3 LYS 76 2HG LYS 76 16.984 23.846 3.798
621 HD2 LYS 76 1HD LYS 76 14.706 22.620 3.785
622 HD3 LYS 76 2HD LYS 76 14.469 23.380 5.361
623 HE2 LYS 76 1HE LYS 76 15.260 24.964 2.935
624 HE3 LYS 76 2HE LYS 76 13.573 24.605 3.301
625 HZ1 LYS 76 3HZ LYS 76 13.571 26.317 4.682
626 HZ2 LYS 76 1HZ LYS 76 15.209 26.617 4.383
627 HZ3 LYS 76 2HZ LYS 76 14.755 25.571 5.632
628 H LEU 77 H LEU 77 17.373 20.086 7.979
629 HA LEU 77 HA LEU 77 18.685 17.965 6.815
630 HB2 LEU 77 1HB LEU 77 19.049 18.512 9.111
631 HB3 LEU 77 2HB LEU 77 17.367 18.173 9.514
632 HG LEU 77 HG LEU 77 18.221 15.763 8.535
633 HD11 LEU 77 1HD1 LEU 77 20.348 15.325 9.754
634 HD12 LEU 77 2HD1 LEU 77 20.505 17.063 10.007
635 HD13 LEU 77 3HD1 LEU 77 20.518 16.407 8.371
636 HD21 LEU 77 3HD2 LEU 77 18.002 16.907 11.295
637 HD22 LEU 77 1HD2 LEU 77 18.480 15.228 11.045
638 HD23 LEU 77 2HD2 LEU 77 16.917 15.796 10.458
639 H ASP 78 H ASP 78 15.316 18.149 7.864
640 HA ASP 78 HA ASP 78 14.575 15.495 7.563
641 HB2 ASP 78 1HB ASP 78 13.182 17.425 8.469
642 HB3 ASP 78 2HB ASP 78 12.807 17.815 6.793
643 H SER 79 H SER 79 14.489 18.088 5.128
644 HA SER 79 HA SER 79 13.550 16.466 3.018
645 HB2 SER 79 1HB SER 79 13.377 18.888 2.900
646 HB3 SER 79 2HB SER 79 15.132 19.047 2.947
647 HG SER 79 HG SER 79 14.627 19.156 0.828
648 H LEU 80 H LEU 80 16.830 17.540 3.876
649 HA LEU 80 HA LEU 80 18.224 16.346 1.797
650 HB2 LEU 80 1HB LEU 80 18.849 17.313 4.493
651 HB3 LEU 80 2HB LEU 80 19.949 16.074 3.893
652 HG LEU 80 HG LEU 80 20.672 18.451 3.517
653 HD11 LEU 80 1HD1 LEU 80 21.925 17.612 1.891
654 HD12 LEU 80 2HD1 LEU 80 20.549 17.544 0.791
655 HD13 LEU 80 3HD1 LEU 80 20.873 16.196 1.880
656 HD21 LEU 80 3HD2 LEU 80 18.174 18.979 2.792
657 HD22 LEU 80 1HD2 LEU 80 18.825 18.592 1.199
658 HD23 LEU 80 2HD2 LEU 80 19.546 19.886 2.155
659 H LEU 81 H LEU 81 17.042 14.954 4.804
660 HA LEU 81 HA LEU 81 18.382 12.458 4.511
661 HB2 LEU 81 1HB LEU 81 16.599 13.710 6.388
662 HB3 LEU 81 2HB LEU 81 16.077 12.059 6.057
663 HG LEU 81 HG LEU 81 18.681 11.610 6.515
664 HD11 LEU 81 1HD1 LEU 81 19.757 13.210 7.614
665 HD12 LEU 81 2HD1 LEU 81 18.424 13.415 8.749
666 HD13 LEU 81 3HD1 LEU 81 18.421 14.292 7.220
667 HD21 LEU 81 3HD2 LEU 81 16.346 11.772 8.384
668 HD22 LEU 81 1HD2 LEU 81 17.931 11.254 8.957
669 HD23 LEU 81 2HD2 LEU 81 17.117 10.349 7.681
670 H GLN 82 H GLN 82 15.018 13.483 3.955
671 HA GLN 82 HA GLN 82 14.071 11.026 3.002
672 HB2 GLN 82 1HB GLN 82 12.546 12.788 3.663
673 HB3 GLN 82 2HB GLN 82 13.151 13.838 2.389
674 HG2 GLN 82 1HG GLN 82 12.083 12.654 0.719
675 HG3 GLN 82 2HG GLN 82 11.945 11.197 1.702
676 HE21 GLN 82 2HE2 GLN 82 10.595 14.302 0.968
677 HE22 GLN 82 1HE2 GLN 82 9.110 14.090 1.825
678 H ASP 83 H ASP 83 15.992 13.472 1.494
679 HA ASP 83 HA ASP 83 15.480 12.556 -1.198
680 HB2 ASP 83 1HB ASP 83 16.425 14.919 -0.107
681 HB3 ASP 83 2HB ASP 83 17.862 14.204 -0.832
682 H VAL 84 H VAL 84 18.289 12.563 0.995
683 HA VAL 84 HA VAL 84 19.929 10.982 -0.683
684 HB VAL 84 HB VAL 84 21.399 10.728 1.224
685 HG11 VAL 84 1HG1 VAL 84 22.036 12.799 0.738
686 HG12 VAL 84 2HG1 VAL 84 20.389 13.248 0.292
687 HG13 VAL 84 3HG1 VAL 84 20.920 13.389 1.969
688 HG21 VAL 84 3HG2 VAL 84 20.647 11.778 3.428
689 HG22 VAL 84 1HG2 VAL 84 19.008 11.653 2.789
690 HG23 VAL 84 2HG2 VAL 84 19.979 10.199 3.017
691 H HIS 85 H HIS 85 17.348 10.208 1.439
692 HA HIS 85 HA HIS 85 17.952 7.667 2.328
693 HB2 HIS 85 1HB HIS 85 15.898 8.979 2.900
694 HB3 HIS 85 2HB HIS 85 15.243 8.556 1.320
695 HD1 HIS 85 HD1 HIS 85 16.656 6.658 4.310
696 HD2 HIS 85 HD2 HIS 85 13.653 6.385 1.452
697 HE1 HIS 85 HE1 HIS 85 15.382 4.564 4.871
Start of MODEL 3
1 H1 GLY -3 H GLY -3 6.289 -5.168 -1.125
2 HA2 GLY -3 1HA GLY -3 5.300 -4.866 -3.849
3 HA3 GLY -3 2HA GLY -3 4.990 -3.782 -2.501
4 HA PRO -2 HA PRO -2 8.121 -1.872 -5.398
5 HB2 PRO -2 1HB PRO -2 6.752 0.440 -5.785
6 HB3 PRO -2 2HB PRO -2 6.512 -0.997 -6.786
7 HG2 PRO -2 1HG PRO -2 4.881 0.000 -4.482
8 HG3 PRO -2 2HG PRO -2 4.337 -0.658 -6.036
9 HD2 PRO -2 1HD PRO -2 4.372 -2.129 -3.763
10 HD3 PRO -2 2HD PRO -2 4.652 -2.841 -5.366
11 H GLY -1 H GLY -1 9.751 -0.708 -4.567
12 HA2 GLY -1 1HA GLY -1 9.263 0.706 -2.029
13 HA3 GLY -1 2HA GLY -1 10.814 0.069 -2.554
14 H SER 0 H SER 0 9.600 2.834 -1.809
15 HA SER 0 HA SER 0 10.615 4.284 -4.163
16 HB2 SER 0 1HB SER 0 9.362 6.237 -2.866
17 HB3 SER 0 2HB SER 0 8.488 5.134 -3.928
18 HG SER 0 HG SER 0 7.951 5.584 -1.447
19 H MET 1 H MET 1 12.720 4.670 -3.823
20 HA MET 1 HA MET 1 13.446 6.180 -1.423
21 HB2 MET 1 1HB MET 1 14.756 3.647 -2.382
22 HB3 MET 1 2HB MET 1 15.632 4.821 -1.409
23 HG2 MET 1 1HG MET 1 12.995 3.847 -0.442
24 HG3 MET 1 2HG MET 1 14.396 2.786 -0.313
25 HE1 MET 1 3HE MET 1 14.530 2.527 2.124
26 HE2 MET 1 1HE MET 1 16.161 2.965 1.614
27 HE3 MET 1 2HE MET 1 15.476 3.671 3.078
28 H LYS 2 H LYS 2 14.821 7.829 -1.804
29 HA LYS 2 HA LYS 2 15.590 8.314 -4.567
30 HB2 LYS 2 1HB LYS 2 15.327 9.967 -2.104
31 HB3 LYS 2 2HB LYS 2 16.465 10.510 -3.330
32 HG2 LYS 2 1HG LYS 2 14.537 11.618 -3.924
33 HG3 LYS 2 2HG LYS 2 14.479 10.191 -4.962
34 HD2 LYS 2 1HD LYS 2 13.147 9.182 -2.923
35 HD3 LYS 2 2HD LYS 2 12.829 10.883 -2.579
36 HE2 LYS 2 1HE LYS 2 11.031 10.215 -3.918
37 HE3 LYS 2 2HE LYS 2 12.112 11.056 -5.027
38 HZ1 LYS 2 3HZ LYS 2 12.503 8.184 -4.762
39 HZ2 LYS 2 1HZ LYS 2 12.592 9.168 -6.136
40 HZ3 LYS 2 2HZ LYS 2 11.086 8.676 -5.544
41 H GLU 3 H GLU 3 17.814 9.583 -4.702
42 HA GLU 3 HA GLU 3 19.851 8.231 -3.092
43 HB2 GLU 3 1HB GLU 3 21.149 7.603 -5.034
44 HB3 GLU 3 2HB GLU 3 19.541 6.903 -5.159
45 HG2 GLU 3 1HG GLU 3 20.291 9.476 -6.510
46 HG3 GLU 3 2HG GLU 3 20.518 7.900 -7.265
47 H ILE 4 H ILE 4 21.782 9.360 -2.870
48 HA ILE 4 HA ILE 4 21.647 12.170 -3.721
49 HB ILE 4 HB ILE 4 21.803 11.666 -1.267
50 HG12 ILE 4 1HG1 ILE 4 22.787 13.736 -2.627
51 HG13 ILE 4 2HG1 ILE 4 22.996 13.586 -0.885
52 HG21 ILE 4 1HG2 ILE 4 24.014 11.013 -0.386
53 HG22 ILE 4 2HG2 ILE 4 23.260 9.742 -1.347
54 HG23 ILE 4 3HG2 ILE 4 24.559 10.716 -2.037
55 HD11 ILE 4 3HD1 ILE 4 25.038 14.239 -2.181
56 HD12 ILE 4 1HD1 ILE 4 25.223 12.835 -1.130
57 HD13 ILE 4 2HD1 ILE 4 25.029 12.616 -2.870
58 H ILE 5 H ILE 5 23.235 13.093 -4.913
59 HA ILE 5 HA ILE 5 25.606 11.473 -5.547
60 HB ILE 5 HB ILE 5 24.250 13.135 -7.650
61 HG12 ILE 5 1HG1 ILE 5 23.765 10.213 -7.029
62 HG13 ILE 5 2HG1 ILE 5 22.586 11.515 -6.913
63 HG21 ILE 5 1HG2 ILE 5 26.152 10.798 -7.789
64 HG22 ILE 5 2HG2 ILE 5 25.504 11.686 -9.167
65 HG23 ILE 5 3HG2 ILE 5 26.575 12.494 -8.022
66 HD11 ILE 5 3HD1 ILE 5 22.897 11.864 -9.381
67 HD12 ILE 5 1HD1 ILE 5 23.826 10.365 -9.392
68 HD13 ILE 5 2HD1 ILE 5 22.130 10.348 -8.910
69 H LEU 6 H LEU 6 27.476 12.644 -6.121
70 HA LEU 6 HA LEU 6 27.356 15.543 -5.640
71 HB2 LEU 6 1HB LEU 6 29.765 15.043 -4.644
72 HB3 LEU 6 2HB LEU 6 28.305 15.020 -3.656
73 HG LEU 6 HG LEU 6 29.041 12.437 -4.861
74 HD11 LEU 6 1HD1 LEU 6 30.741 12.081 -3.012
75 HD12 LEU 6 2HD1 LEU 6 30.811 13.837 -2.877
76 HD13 LEU 6 3HD1 LEU 6 31.262 13.051 -4.390
77 HD21 LEU 6 3HD2 LEU 6 27.552 13.478 -2.653
78 HD22 LEU 6 1HD2 LEU 6 28.763 12.341 -2.060
79 HD23 LEU 6 2HD2 LEU 6 27.601 11.832 -3.286
80 H TYR 7 H TYR 7 28.007 16.550 -7.414
81 HA TYR 7 HA TYR 7 29.833 15.210 -9.257
82 HB2 TYR 7 1HB TYR 7 28.236 17.762 -9.557
83 HB3 TYR 7 2HB TYR 7 29.239 17.045 -10.813
84 HD1 TYR 7 HD1 TYR 7 28.593 14.848 -11.798
85 HD2 TYR 7 HD2 TYR 7 26.045 16.950 -9.116
86 HE1 TYR 7 HE1 TYR 7 26.691 13.478 -12.542
87 HE2 TYR 7 HE2 TYR 7 24.135 15.585 -9.852
88 HH TYR 7 HH TYR 7 23.535 13.724 -10.996
89 H THR 8 H THR 8 31.918 15.472 -8.782
90 HA THR 8 HA THR 8 33.209 17.943 -8.999
91 HB THR 8 HB THR 8 34.004 17.564 -6.371
92 HG1 THR 8 HG1 THR 8 31.766 17.805 -5.389
93 HG21 THR 8 3HG2 THR 8 33.489 19.759 -6.187
94 HG22 THR 8 1HG2 THR 8 31.856 19.538 -6.815
95 HG23 THR 8 2HG2 THR 8 33.224 19.630 -7.925
96 H ARG 9 H ARG 9 35.539 17.729 -7.868
97 HA ARG 9 HA ARG 9 36.614 15.251 -8.931
98 HB2 ARG 9 1HB ARG 9 38.828 16.367 -8.418
99 HB3 ARG 9 2HB ARG 9 37.810 17.189 -9.593
100 HG2 ARG 9 1HG ARG 9 37.131 18.809 -7.958
101 HG3 ARG 9 2HG ARG 9 37.974 17.930 -6.681
102 HD2 ARG 9 1HD ARG 9 39.180 19.380 -9.029
103 HD3 ARG 9 2HD ARG 9 39.344 19.776 -7.319
104 HE ARG 9 HE ARG 9 40.364 17.266 -7.499
105 HH11 ARG 9 1HH1 ARG 9 40.987 20.260 -9.164
106 HH12 ARG 9 2HH1 ARG 9 42.656 19.900 -9.459
107 HH21 ARG 9 1HH2 ARG 9 42.560 16.781 -7.881
108 HH22 ARG 9 2HH2 ARG 9 43.549 17.920 -8.729
109 HA PRO 10 HA PRO 10 37.326 13.179 -5.129
110 HB2 PRO 10 1HB PRO 10 39.731 11.999 -5.569
111 HB3 PRO 10 2HB PRO 10 38.240 11.464 -6.354
112 HG2 PRO 10 1HG PRO 10 40.420 13.215 -7.423
113 HG3 PRO 10 2HG PRO 10 39.552 11.893 -8.226
114 HD2 PRO 10 1HD PRO 10 38.954 14.500 -8.651
115 HD3 PRO 10 2HD PRO 10 37.728 13.217 -8.708
116 H ASN 11 H ASN 11 39.317 15.734 -6.119
117 HA ASN 11 HA ASN 11 40.844 15.705 -3.611
118 HB2 ASN 11 1HB ASN 11 41.822 16.063 -6.067
119 HB3 ASN 11 2HB ASN 11 41.377 17.733 -5.728
120 HD21 ASN 11 2HD2 ASN 11 43.941 15.957 -5.849
121 HD22 ASN 11 1HD2 ASN 11 44.844 16.522 -4.489
122 H CYS 12 H CYS 12 38.382 16.272 -2.981
123 HA CYS 12 HA CYS 12 38.207 19.211 -2.852
124 HB2 CYS 12 1HB CYS 12 35.743 18.755 -2.350
125 HB3 CYS 12 2HB CYS 12 36.284 18.464 -4.000
126 HA PRO 13 HA PRO 13 39.168 18.168 1.452
127 HB2 PRO 13 1HB PRO 13 39.978 20.678 2.096
128 HB3 PRO 13 2HB PRO 13 41.022 19.512 1.273
129 HG2 PRO 13 1HG PRO 13 39.434 21.774 0.123
130 HG3 PRO 13 2HG PRO 13 41.090 21.265 -0.253
131 HD2 PRO 13 1HD PRO 13 38.978 20.626 -1.822
132 HD3 PRO 13 2HD PRO 13 40.387 19.562 -1.637
133 H TYR 14 H TYR 14 36.837 20.139 0.003
134 HA TYR 14 HA TYR 14 35.685 20.951 2.576
135 HB2 TYR 14 1HB TYR 14 35.392 21.925 -0.235
136 HB3 TYR 14 2HB TYR 14 34.063 22.176 0.890
137 HD1 TYR 14 HD1 TYR 14 35.106 22.977 3.346
138 HD2 TYR 14 HD2 TYR 14 36.700 23.795 -0.513
139 HE1 TYR 14 HE1 TYR 14 36.236 24.970 4.241
140 HE2 TYR 14 HE2 TYR 14 37.834 25.789 0.371
141 HH TYR 14 HH TYR 14 37.265 27.404 2.574
142 H CYS 15 H CYS 15 34.921 19.202 -0.401
143 HA CYS 15 HA CYS 15 32.264 18.571 0.108
144 HB2 CYS 15 1HB CYS 15 32.450 16.939 -1.570
145 HB3 CYS 15 2HB CYS 15 33.677 18.127 -1.998
146 H LYS 16 H LYS 16 35.132 17.402 1.607
147 HA LYS 16 HA LYS 16 34.477 14.889 2.495
148 HB2 LYS 16 1HB LYS 16 36.008 17.129 3.786
149 HB3 LYS 16 2HB LYS 16 35.778 15.600 4.624
150 HG2 LYS 16 1HG LYS 16 37.145 14.452 3.201
151 HG3 LYS 16 2HG LYS 16 36.828 15.537 1.845
152 HD2 LYS 16 1HD LYS 16 38.998 16.099 2.400
153 HD3 LYS 16 2HD LYS 16 38.074 17.291 3.318
154 HE2 LYS 16 1HE LYS 16 38.772 14.683 4.590
155 HE3 LYS 16 2HE LYS 16 40.010 15.930 4.449
156 HZ1 LYS 16 3HZ LYS 16 39.165 16.777 6.303
157 HZ2 LYS 16 1HZ LYS 16 37.806 15.771 6.249
158 HZ3 LYS 16 2HZ LYS 16 37.804 17.238 5.408
159 H ARG 17 H ARG 17 33.237 17.969 3.599
160 HA ARG 17 HA ARG 17 32.021 17.053 5.982
161 HB2 ARG 17 1HB ARG 17 31.707 19.460 4.235
162 HB3 ARG 17 2HB ARG 17 30.504 19.147 5.478
163 HG2 ARG 17 1HG ARG 17 32.092 20.627 6.411
164 HG3 ARG 17 2HG ARG 17 32.388 19.045 7.134
165 HD2 ARG 17 1HD ARG 17 33.884 19.782 4.670
166 HD3 ARG 17 2HD ARG 17 34.359 20.531 6.193
167 HE ARG 17 HE ARG 17 34.854 17.849 5.385
168 HH11 ARG 17 1HH1 ARG 17 34.179 19.843 8.158
169 HH12 ARG 17 2HH1 ARG 17 34.965 18.779 9.277
170 HH21 ARG 17 1HH2 ARG 17 35.892 16.441 6.848
171 HH22 ARG 17 2HH2 ARG 17 35.940 16.845 8.531
172 H ALA 18 H ALA 18 30.863 17.361 2.655
173 HA ALA 18 HA ALA 18 28.178 16.629 3.202
174 HB1 ALA 18 1HB ALA 18 28.868 17.843 1.174
175 HB2 ALA 18 2HB ALA 18 29.690 16.390 0.604
176 HB3 ALA 18 3HB ALA 18 27.938 16.391 0.805
177 H ARG 19 H ARG 19 30.864 14.776 1.758
178 HA ARG 19 HA ARG 19 29.526 12.327 1.602
179 HB2 ARG 19 1HB ARG 19 31.627 11.346 1.169
180 HB3 ARG 19 2HB ARG 19 31.748 12.984 0.541
181 HG2 ARG 19 1HG ARG 19 33.718 12.905 1.643
182 HG3 ARG 19 2HG ARG 19 32.698 13.423 2.987
183 HD2 ARG 19 1HD ARG 19 32.401 10.778 3.224
184 HD3 ARG 19 2HD ARG 19 33.998 10.812 2.477
185 HE ARG 19 HE ARG 19 34.079 12.637 4.545
186 HH11 ARG 19 1HH1 ARG 19 33.513 9.221 4.182
187 HH12 ARG 19 2HH1 ARG 19 34.141 8.818 5.746
188 HH21 ARG 19 1HH2 ARG 19 34.908 12.120 6.606
189 HH22 ARG 19 2HH2 ARG 19 34.934 10.468 7.124
190 H ASP 20 H ASP 20 31.197 13.876 4.255
191 HA ASP 20 HA ASP 20 31.326 11.577 5.934
192 HB2 ASP 20 1HB ASP 20 32.849 13.378 6.364
193 HB3 ASP 20 2HB ASP 20 31.529 14.533 6.519
194 H LEU 21 H LEU 21 29.067 14.284 5.629
195 HA LEU 21 HA LEU 21 27.440 13.656 7.829
196 HB2 LEU 21 1HB LEU 21 27.133 15.782 6.948
197 HB3 LEU 21 2HB LEU 21 27.025 15.186 5.293
198 HG LEU 21 HG LEU 21 24.870 14.403 7.182
199 HD11 LEU 21 1HD1 LEU 21 23.819 16.679 6.238
200 HD12 LEU 21 2HD1 LEU 21 25.500 17.183 6.416
201 HD13 LEU 21 3HD1 LEU 21 24.615 16.557 7.807
202 HD21 LEU 21 3HD2 LEU 21 24.410 13.538 5.130
203 HD22 LEU 21 1HD2 LEU 21 25.265 14.821 4.272
204 HD23 LEU 21 2HD2 LEU 21 23.655 15.121 4.929
205 H LEU 22 H LEU 22 27.100 12.803 4.391
206 HA LEU 22 HA LEU 22 24.746 11.281 4.699
207 HB2 LEU 22 1HB LEU 22 26.833 10.814 2.591
208 HB3 LEU 22 2HB LEU 22 25.096 10.535 2.486
209 HG LEU 22 HG LEU 22 25.932 13.329 2.946
210 HD11 LEU 22 1HD1 LEU 22 26.305 13.562 0.442
211 HD12 LEU 22 2HD1 LEU 22 26.580 11.820 0.432
212 HD13 LEU 22 3HD1 LEU 22 27.625 12.873 1.387
213 HD21 LEU 22 3HD2 LEU 22 24.156 12.662 0.731
214 HD22 LEU 22 1HD2 LEU 22 23.911 13.754 2.094
215 HD23 LEU 22 2HD2 LEU 22 23.612 12.027 2.284
216 H ASP 23 H ASP 23 28.119 10.203 4.269
217 HA ASP 23 HA ASP 23 27.730 7.488 4.590
218 HB2 ASP 23 1HB ASP 23 29.871 8.272 3.888
219 HB3 ASP 23 2HB ASP 23 30.072 9.232 5.351
220 H LYS 24 H LYS 24 28.023 9.991 7.044
221 HA LYS 24 HA LYS 24 28.081 8.138 9.239
222 HB2 LYS 24 1HB LYS 24 27.802 11.127 9.029
223 HB3 LYS 24 2HB LYS 24 27.621 10.296 10.568
224 HG2 LYS 24 1HG LYS 24 30.048 9.723 8.961
225 HG3 LYS 24 2HG LYS 24 29.935 11.287 9.772
226 HD2 LYS 24 1HD LYS 24 29.440 10.063 11.893
227 HD3 LYS 24 2HD LYS 24 29.771 8.554 11.039
228 HE2 LYS 24 1HE LYS 24 32.024 9.643 10.436
229 HE3 LYS 24 2HE LYS 24 31.653 10.787 11.724
230 HZ1 LYS 24 3HZ LYS 24 31.414 8.873 13.237
231 HZ2 LYS 24 1HZ LYS 24 32.975 9.013 12.600
232 HZ3 LYS 24 2HZ LYS 24 31.916 7.843 11.993
233 H LYS 25 H LYS 25 25.644 9.839 7.436
234 HA LYS 25 HA LYS 25 23.542 9.568 9.338
235 HB2 LYS 25 1HB LYS 25 23.890 10.703 6.734
236 HB3 LYS 25 2HB LYS 25 22.464 9.673 6.714
237 HG2 LYS 25 1HG LYS 25 21.844 11.936 7.264
238 HG3 LYS 25 2HG LYS 25 21.579 10.885 8.658
239 HD2 LYS 25 1HD LYS 25 23.642 11.657 9.669
240 HD3 LYS 25 2HD LYS 25 24.003 12.637 8.246
241 HE2 LYS 25 1HE LYS 25 21.394 13.092 9.570
242 HE3 LYS 25 2HE LYS 25 22.833 13.624 10.438
243 HZ1 LYS 25 3HZ LYS 25 22.455 14.345 7.606
244 HZ2 LYS 25 1HZ LYS 25 23.374 15.128 8.792
245 HZ3 LYS 25 2HZ LYS 25 21.687 15.238 8.820
246 H GLY 26 H GLY 26 24.830 7.543 6.794
247 HA2 GLY 26 1HA GLY 26 24.559 5.148 6.980
248 HA3 GLY 26 2HA GLY 26 22.954 5.430 7.638
249 H VAL 27 H VAL 27 24.487 6.831 4.761
250 HA VAL 27 HA VAL 27 22.503 5.434 3.098
251 HB VAL 27 HB VAL 27 22.515 7.613 1.690
252 HG11 VAL 27 1HG1 VAL 27 20.535 6.755 2.775
253 HG12 VAL 27 2HG1 VAL 27 21.058 7.418 4.324
254 HG13 VAL 27 3HG1 VAL 27 20.620 8.502 3.003
255 HG21 VAL 27 3HG2 VAL 27 24.292 8.738 2.934
256 HG22 VAL 27 1HG2 VAL 27 22.788 9.658 3.002
257 HG23 VAL 27 2HG2 VAL 27 23.301 8.702 4.393
258 H LYS 28 H LYS 28 23.083 5.803 0.683
259 HA LYS 28 HA LYS 28 25.993 5.441 0.393
260 HB2 LYS 28 1HB LYS 28 23.724 3.875 -0.554
261 HB3 LYS 28 2HB LYS 28 24.824 4.312 -1.855
262 HG2 LYS 28 1HG LYS 28 25.844 3.111 0.691
263 HG3 LYS 28 2HG LYS 28 25.209 2.102 -0.611
264 HD2 LYS 28 1HD LYS 28 27.193 4.173 -1.358
265 HD3 LYS 28 2HD LYS 28 27.786 2.790 -0.434
266 HE2 LYS 28 1HE LYS 28 26.199 2.620 -2.994
267 HE3 LYS 28 2HE LYS 28 27.950 2.460 -2.877
268 HZ1 LYS 28 3HZ LYS 28 27.642 0.314 -2.496
269 HZ2 LYS 28 1HZ LYS 28 25.961 0.500 -2.452
270 HZ3 LYS 28 2HZ LYS 28 26.870 0.692 -1.039
271 H TYR 29 H TYR 29 26.758 7.342 -0.323
272 HA TYR 29 HA TYR 29 25.258 8.868 -2.301
273 HB2 TYR 29 1HB TYR 29 26.820 10.653 -1.880
274 HB3 TYR 29 2HB TYR 29 26.304 9.994 -0.331
275 HD1 TYR 29 HD1 TYR 29 29.091 10.168 -2.738
276 HD2 TYR 29 HD2 TYR 29 27.861 8.939 1.145
277 HE1 TYR 29 HE1 TYR 29 31.444 9.824 -2.108
278 HE2 TYR 29 HE2 TYR 29 30.210 8.592 1.786
279 HH TYR 29 HH TYR 29 32.326 8.668 1.135
280 H THR 30 H THR 30 25.996 9.351 -4.352
281 HA THR 30 HA THR 30 28.089 7.558 -5.364
282 HB THR 30 HB THR 30 25.919 9.046 -6.856
283 HG1 THR 30 HG1 THR 30 24.802 7.313 -6.417
284 HG21 THR 30 3HG2 THR 30 28.105 7.204 -7.813
285 HG22 THR 30 1HG2 THR 30 27.782 8.859 -8.326
286 HG23 THR 30 2HG2 THR 30 26.664 7.567 -8.763
287 H ASP 31 H ASP 31 30.032 8.444 -5.558
288 HA ASP 31 HA ASP 31 30.350 11.307 -5.847
289 HB2 ASP 31 1HB ASP 31 31.843 10.056 -4.351
290 HB3 ASP 31 2HB ASP 31 32.419 9.103 -5.715
291 H ILE 32 H ILE 32 30.199 12.221 -7.779
292 HA ILE 32 HA ILE 32 30.879 10.680 -10.170
293 HB ILE 32 HB ILE 32 29.538 13.376 -9.920
294 HG12 ILE 32 1HG1 ILE 32 28.237 11.395 -9.081
295 HG13 ILE 32 2HG1 ILE 32 27.483 12.243 -10.426
296 HG21 ILE 32 1HG2 ILE 32 30.529 13.421 -12.018
297 HG22 ILE 32 2HG2 ILE 32 30.299 11.692 -12.273
298 HG23 ILE 32 3HG2 ILE 32 28.919 12.786 -12.358
299 HD11 ILE 32 3HD1 ILE 32 29.232 10.005 -11.170
300 HD12 ILE 32 1HD1 ILE 32 27.768 9.574 -10.287
301 HD13 ILE 32 2HD1 ILE 32 27.653 10.477 -11.797
302 H ASP 33 H ASP 33 32.806 10.891 -11.076
303 HA ASP 33 HA ASP 33 34.844 12.539 -10.221
304 HB2 ASP 33 1HB ASP 33 34.344 11.143 -12.836
305 HB3 ASP 33 2HB ASP 33 35.779 12.140 -12.607
306 H ALA 34 H ALA 34 35.682 14.506 -10.846
307 HA ALA 34 HA ALA 34 33.877 16.503 -11.634
308 HB1 ALA 34 1HB ALA 34 36.221 17.711 -12.100
309 HB2 ALA 34 2HB ALA 34 35.571 17.459 -10.480
310 HB3 ALA 34 3HB ALA 34 36.784 16.353 -11.126
311 H SER 35 H SER 35 35.663 14.265 -13.488
312 HA SER 35 HA SER 35 36.266 15.570 -15.826
313 HB2 SER 35 1HB SER 35 35.263 12.772 -15.327
314 HB3 SER 35 2HB SER 35 35.681 13.328 -16.948
315 HG SER 35 HG SER 35 37.663 12.912 -16.430
316 H THR 36 H THR 36 35.029 16.954 -16.904
317 HA THR 36 HA THR 36 32.210 16.987 -16.847
318 HB THR 36 HB THR 36 32.432 18.581 -18.799
319 HG1 THR 36 HG1 THR 36 34.605 19.235 -19.261
320 HG21 THR 36 3HG2 THR 36 33.750 18.933 -16.148
321 HG22 THR 36 1HG2 THR 36 32.315 19.718 -16.805
322 HG23 THR 36 2HG2 THR 36 33.918 20.210 -17.352
323 H SER 37 H SER 37 34.481 15.293 -18.826
324 HA SER 37 HA SER 37 33.129 14.856 -21.175
325 HB2 SER 37 1HB SER 37 34.631 12.695 -19.685
326 HB3 SER 37 2HB SER 37 34.410 12.839 -21.428
327 HG SER 37 HG SER 37 36.469 13.578 -20.774
328 H LEU 38 H LEU 38 32.489 13.500 -18.018
329 HA LEU 38 HA LEU 38 30.124 12.148 -19.138
330 HB2 LEU 38 1HB LEU 38 32.240 10.859 -18.021
331 HB3 LEU 38 2HB LEU 38 31.197 11.084 -16.618
332 HG LEU 38 HG LEU 38 29.376 10.045 -18.203
333 HD11 LEU 38 1HD1 LEU 38 30.380 9.747 -20.237
334 HD12 LEU 38 2HD1 LEU 38 30.690 8.177 -19.497
335 HD13 LEU 38 3HD1 LEU 38 31.960 9.400 -19.533
336 HD21 LEU 38 3HD2 LEU 38 29.535 8.298 -16.823
337 HD22 LEU 38 1HD2 LEU 38 30.925 9.128 -16.123
338 HD23 LEU 38 2HD2 LEU 38 31.165 7.904 -17.370
339 H ARG 39 H ARG 39 31.543 13.913 -16.454
340 HA ARG 39 HA ARG 39 29.351 13.914 -14.715
341 HB2 ARG 39 1HB ARG 39 31.622 14.671 -14.096
342 HB3 ARG 39 2HB ARG 39 31.408 16.094 -15.108
343 HG2 ARG 39 1HG ARG 39 29.238 16.314 -13.538
344 HG3 ARG 39 2HG ARG 39 30.341 15.492 -12.433
345 HD2 ARG 39 1HD ARG 39 31.409 17.400 -12.053
346 HD3 ARG 39 2HD ARG 39 31.774 17.553 -13.771
347 HE ARG 39 HE ARG 39 29.697 18.917 -12.302
348 HH11 ARG 39 1HH1 ARG 39 30.862 17.927 -15.430
349 HH12 ARG 39 2HH1 ARG 39 29.979 19.145 -16.289
350 HH21 ARG 39 1HH2 ARG 39 28.530 20.525 -13.422
351 HH22 ARG 39 2HH2 ARG 39 28.654 20.623 -15.146
352 H GLN 40 H GLN 40 30.114 15.939 -17.488
353 HA GLN 40 HA GLN 40 28.086 17.870 -17.064
354 HB2 GLN 40 1HB GLN 40 30.007 18.278 -18.532
355 HB3 GLN 40 2HB GLN 40 29.442 17.027 -19.632
356 HG2 GLN 40 1HG GLN 40 27.413 18.339 -20.058
357 HG3 GLN 40 2HG GLN 40 28.023 19.603 -18.992
358 HE21 GLN 40 2HE2 GLN 40 29.635 20.952 -19.694
359 HE22 GLN 40 1HE2 GLN 40 30.180 20.998 -21.333
360 H GLU 41 H GLU 41 28.180 14.797 -18.782
361 HA GLU 41 HA GLU 41 25.610 15.083 -19.986
362 HB2 GLU 41 1HB GLU 41 26.889 12.426 -19.434
363 HB3 GLU 41 2HB GLU 41 25.901 12.915 -20.804
364 HG2 GLU 41 1HG GLU 41 28.755 13.666 -20.242
365 HG3 GLU 41 2HG GLU 41 28.138 12.674 -21.562
366 H MET 42 H MET 42 26.807 13.682 -16.993
367 HA MET 42 HA MET 42 24.313 12.467 -16.279
368 HB2 MET 42 1HB MET 42 26.964 12.846 -14.992
369 HB3 MET 42 2HB MET 42 25.590 12.571 -13.929
370 HG2 MET 42 1HG MET 42 25.814 10.404 -14.278
371 HG3 MET 42 2HG MET 42 25.373 10.665 -15.964
372 HE1 MET 42 3HE MET 42 28.916 9.848 -13.715
373 HE2 MET 42 1HE MET 42 29.566 11.304 -14.470
374 HE3 MET 42 2HE MET 42 28.067 11.385 -13.546
375 H VAL 43 H VAL 43 26.048 15.398 -15.272
376 HA VAL 43 HA VAL 43 24.138 16.268 -13.390
377 HB VAL 43 HB VAL 43 26.476 17.127 -13.545
378 HG11 VAL 43 1HG1 VAL 43 25.486 18.929 -15.735
379 HG12 VAL 43 2HG1 VAL 43 27.141 18.685 -15.171
380 HG13 VAL 43 3HG1 VAL 43 26.319 17.412 -16.076
381 HG21 VAL 43 3HG2 VAL 43 25.909 19.442 -12.956
382 HG22 VAL 43 1HG2 VAL 43 24.292 19.207 -13.620
383 HG23 VAL 43 2HG2 VAL 43 24.807 18.288 -12.206
384 H GLN 44 H GLN 44 24.501 16.846 -16.851
385 HA GLN 44 HA GLN 44 22.375 18.759 -16.988
386 HB2 GLN 44 1HB GLN 44 22.767 18.824 -19.301
387 HB3 GLN 44 2HB GLN 44 24.349 18.508 -18.602
388 HG2 GLN 44 1HG GLN 44 24.337 16.999 -20.308
389 HG3 GLN 44 2HG GLN 44 23.688 16.008 -19.002
390 HE21 GLN 44 2HE2 GLN 44 22.725 14.657 -20.567
391 HE22 GLN 44 1HE2 GLN 44 21.271 15.123 -21.375
392 H ARG 45 H ARG 45 22.676 15.292 -17.459
393 HA ARG 45 HA ARG 45 20.008 14.990 -18.494
394 HB2 ARG 45 1HB ARG 45 21.775 13.434 -19.153
395 HB3 ARG 45 2HB ARG 45 21.980 12.936 -17.479
396 HG2 ARG 45 1HG ARG 45 19.742 11.999 -17.457
397 HG3 ARG 45 2HG ARG 45 19.481 12.549 -19.113
398 HD2 ARG 45 1HD ARG 45 21.020 11.021 -19.986
399 HD3 ARG 45 2HD ARG 45 21.771 10.745 -18.415
400 HE ARG 45 HE ARG 45 19.229 9.860 -18.074
401 HH11 ARG 45 1HH1 ARG 45 21.731 9.187 -20.400
402 HH12 ARG 45 2HH1 ARG 45 21.213 7.558 -20.680
403 HH21 ARG 45 1HH2 ARG 45 18.537 7.717 -18.435
404 HH22 ARG 45 2HH2 ARG 45 19.395 6.723 -19.563
405 H ALA 46 H ALA 46 21.411 15.272 -15.404
406 HA ALA 46 HA ALA 46 19.216 13.898 -14.058
407 HB1 ALA 46 1HB ALA 46 21.831 15.035 -13.152
408 HB2 ALA 46 2HB ALA 46 20.556 14.674 -11.988
409 HB3 ALA 46 3HB ALA 46 21.215 13.389 -13.001
410 H ASN 47 H ASN 47 20.578 17.142 -14.418
411 HA ASN 47 HA ASN 47 18.344 18.266 -12.898
412 HB2 ASN 47 1HB ASN 47 20.125 19.447 -12.127
413 HB3 ASN 47 2HB ASN 47 21.077 19.156 -13.580
414 HD21 ASN 47 2HD2 ASN 47 21.428 20.836 -14.831
415 HD22 ASN 47 1HD2 ASN 47 20.488 22.285 -14.877
416 H GLY 48 H GLY 48 19.939 18.603 -16.060
417 HA2 GLY 48 1HA GLY 48 18.139 18.595 -17.892
418 HA3 GLY 48 2HA GLY 48 17.545 20.012 -17.040
419 H ARG 49 H ARG 49 20.298 20.899 -16.404
420 HA ARG 49 HA ARG 49 21.816 21.279 -18.727
421 HB2 ARG 49 1HB ARG 49 19.984 22.546 -19.617
422 HB3 ARG 49 2HB ARG 49 19.820 23.461 -18.124
423 HG2 ARG 49 1HG ARG 49 20.865 24.846 -19.769
424 HG3 ARG 49 2HG ARG 49 22.060 24.438 -18.535
425 HD2 ARG 49 1HD ARG 49 23.210 23.001 -19.941
426 HD3 ARG 49 2HD ARG 49 21.819 22.759 -20.996
427 HE ARG 49 HE ARG 49 22.593 25.448 -21.135
428 HH11 ARG 49 1HH1 ARG 49 23.754 22.291 -22.032
429 HH12 ARG 49 2HH1 ARG 49 24.667 22.869 -23.387
430 HH21 ARG 49 1HH2 ARG 49 23.790 26.221 -22.916
431 HH22 ARG 49 2HH2 ARG 49 24.688 25.104 -23.888
432 H ASN 50 H ASN 50 23.593 21.114 -17.447
433 HA ASN 50 HA ASN 50 24.191 23.418 -15.755
434 HB2 ASN 50 1HB ASN 50 23.386 21.015 -14.625
435 HB3 ASN 50 2HB ASN 50 25.144 20.944 -14.538
436 HD21 ASN 50 2HD2 ASN 50 25.242 21.165 -12.337
437 HD22 ASN 50 1HD2 ASN 50 24.839 22.632 -11.518
438 H THR 51 H THR 51 26.409 23.830 -15.488
439 HA THR 51 HA THR 51 28.279 22.117 -16.949
440 HB THR 51 HB THR 51 27.550 23.842 -18.556
441 HG1 THR 51 HG1 THR 51 29.685 23.106 -18.721
442 HG21 THR 51 3HG2 THR 51 27.461 26.047 -18.107
443 HG22 THR 51 1HG2 THR 51 28.963 26.020 -17.183
444 HG23 THR 51 2HG2 THR 51 27.450 25.531 -16.421
445 H PHE 52 H PHE 52 27.837 22.643 -14.125
446 HA PHE 52 HA PHE 52 30.559 23.373 -13.436
447 HB2 PHE 52 1HB PHE 52 28.153 24.934 -12.530
448 HB3 PHE 52 2HB PHE 52 29.615 24.870 -11.551
449 HD1 PHE 52 HD2 PHE 52 31.659 25.938 -12.295
450 HD2 PHE 52 HD1 PHE 52 28.102 26.122 -14.625
451 HE1 PHE 52 HE2 PHE 52 32.631 27.762 -13.629
452 HE2 PHE 52 HE1 PHE 52 29.069 27.947 -15.963
453 HZ PHE 52 HZ PHE 52 31.336 28.770 -15.465
454 HA PRO 53 HA PRO 53 30.069 20.212 -10.432
455 HB2 PRO 53 1HB PRO 53 31.792 21.044 -8.507
456 HB3 PRO 53 2HB PRO 53 32.329 20.385 -10.056
457 HG2 PRO 53 1HG PRO 53 32.099 23.242 -9.191
458 HG3 PRO 53 2HG PRO 53 33.398 22.450 -10.102
459 HD2 PRO 53 1HD PRO 53 31.491 23.958 -11.295
460 HD3 PRO 53 2HD PRO 53 32.239 22.558 -12.092
461 H GLN 54 H GLN 54 28.884 19.713 -8.636
462 HA GLN 54 HA GLN 54 28.319 21.468 -6.511
463 HB2 GLN 54 1HB GLN 54 26.032 22.071 -6.937
464 HB3 GLN 54 2HB GLN 54 27.006 22.608 -8.299
465 HG2 GLN 54 1HG GLN 54 25.358 21.668 -9.495
466 HG3 GLN 54 2HG GLN 54 26.269 20.189 -9.195
467 HE21 GLN 54 2HE2 GLN 54 24.936 18.593 -8.767
468 HE22 GLN 54 1HE2 GLN 54 23.532 18.674 -7.765
469 H ILE 55 H ILE 55 26.228 20.629 -5.300
470 HA ILE 55 HA ILE 55 26.495 17.708 -5.221
471 HB ILE 55 HB ILE 55 25.421 19.618 -3.143
472 HG12 ILE 55 1HG1 ILE 55 27.487 18.532 -1.921
473 HG13 ILE 55 2HG1 ILE 55 28.042 18.234 -3.565
474 HG21 ILE 55 1HG2 ILE 55 25.616 17.481 -1.706
475 HG22 ILE 55 2HG2 ILE 55 24.218 17.669 -2.764
476 HG23 ILE 55 3HG2 ILE 55 25.558 16.630 -3.249
477 HD11 ILE 55 3HD1 ILE 55 28.551 20.477 -2.151
478 HD12 ILE 55 1HD1 ILE 55 28.544 20.386 -3.912
479 HD13 ILE 55 2HD1 ILE 55 27.117 20.967 -3.053
480 H PHE 56 H PHE 56 24.866 16.419 -5.787
481 HA PHE 56 HA PHE 56 22.246 17.653 -6.301
482 HB2 PHE 56 1HB PHE 56 23.838 16.170 -7.995
483 HB3 PHE 56 2HB PHE 56 22.681 14.979 -7.411
484 HD1 PHE 56 HD2 PHE 56 20.180 15.682 -7.513
485 HD2 PHE 56 HD1 PHE 56 23.280 17.523 -9.775
486 HE1 PHE 56 HE2 PHE 56 18.510 16.519 -9.115
487 HE2 PHE 56 HE1 PHE 56 21.615 18.364 -11.380
488 HZ PHE 56 HZ PHE 56 19.227 17.861 -11.051
489 H ILE 57 H ILE 57 20.361 16.669 -5.582
490 HA ILE 57 HA ILE 57 20.670 14.376 -3.771
491 HB ILE 57 HB ILE 57 19.073 16.861 -3.139
492 HG12 ILE 57 1HG1 ILE 57 21.560 15.739 -1.829
493 HG13 ILE 57 2HG1 ILE 57 21.510 17.157 -2.870
494 HG21 ILE 57 1HG2 ILE 57 18.003 14.802 -2.354
495 HG22 ILE 57 2HG2 ILE 57 19.488 14.354 -1.517
496 HG23 ILE 57 3HG2 ILE 57 18.589 15.784 -1.011
497 HD11 ILE 57 3HD1 ILE 57 20.053 16.897 -0.251
498 HD12 ILE 57 1HD1 ILE 57 21.603 17.708 -0.475
499 HD13 ILE 57 2HD1 ILE 57 20.156 18.334 -1.267
500 H GLY 58 H GLY 58 19.717 12.990 -5.259
501 HA2 GLY 58 1HA GLY 58 17.997 11.914 -6.332
502 HA3 GLY 58 2HA GLY 58 16.947 12.694 -5.158
503 H ASP 59 H ASP 59 15.729 14.436 -5.756
504 HA ASP 59 HA ASP 59 15.905 15.214 -8.593
505 HB2 ASP 59 1HB ASP 59 13.487 14.998 -6.791
506 HB3 ASP 59 2HB ASP 59 13.454 15.726 -8.395
507 H TYR 60 H TYR 60 17.306 16.423 -6.325
508 HA TYR 60 HA TYR 60 16.455 19.165 -6.786
509 HB2 TYR 60 1HB TYR 60 15.216 18.814 -4.813
510 HB3 TYR 60 2HB TYR 60 16.497 17.860 -4.074
511 HD1 TYR 60 HD2 TYR 60 15.491 21.288 -5.024
512 HD2 TYR 60 HD1 TYR 60 18.220 18.892 -2.807
513 HE1 TYR 60 HE2 TYR 60 16.323 23.302 -3.881
514 HE2 TYR 60 HE1 TYR 60 19.058 20.898 -1.658
515 HH TYR 60 HH TYR 60 18.714 23.878 -2.675
516 H HIS 61 H HIS 61 18.207 20.258 -7.343
517 HA HIS 61 HA HIS 61 20.837 19.273 -6.549
518 HB2 HIS 61 1HB HIS 61 21.628 21.042 -8.198
519 HB3 HIS 61 2HB HIS 61 20.696 19.710 -8.875
520 HD1 HIS 61 HD1 HIS 61 18.275 20.255 -9.688
521 HD2 HIS 61 HD2 HIS 61 20.466 23.553 -8.429
522 HE1 HIS 61 HE1 HIS 61 17.009 22.262 -10.522
523 H VAL 62 H VAL 62 21.844 20.096 -4.850
524 HA VAL 62 HA VAL 62 20.882 22.386 -3.459
525 HB VAL 62 HB VAL 62 23.462 20.852 -3.116
526 HG11 VAL 62 1HG1 VAL 62 23.719 23.048 -2.174
527 HG12 VAL 62 2HG1 VAL 62 22.158 22.928 -1.360
528 HG13 VAL 62 3HG1 VAL 62 23.497 21.892 -0.862
529 HG21 VAL 62 3HG2 VAL 62 21.586 20.507 -0.994
530 HG22 VAL 62 1HG2 VAL 62 20.786 20.166 -2.528
531 HG23 VAL 62 2HG2 VAL 62 22.256 19.296 -2.088
532 H GLY 63 H GLY 63 24.231 21.892 -4.556
533 HA2 GLY 63 1HA GLY 63 24.887 23.592 -6.375
534 HA3 GLY 63 2HA GLY 63 24.338 24.766 -5.189
535 H GLY 64 H GLY 64 25.357 24.157 -2.879
536 HA2 GLY 64 1HA GLY 64 28.258 23.845 -3.360
537 HA3 GLY 64 2HA GLY 64 27.595 24.999 -2.212
538 H CYS 65 H CYS 65 29.449 23.398 -1.224
539 HA CYS 65 HA CYS 65 28.450 20.926 -0.206
540 HB2 CYS 65 1HB CYS 65 30.800 22.553 0.782
541 HB3 CYS 65 2HB CYS 65 30.500 20.848 1.096
542 HG CYS 65 HG CYS 65 30.876 21.932 -2.107
543 H ASP 66 H ASP 66 29.454 23.852 1.570
544 HA ASP 66 HA ASP 66 28.269 23.204 3.990
545 HB2 ASP 66 1HB ASP 66 29.115 25.759 2.701
546 HB3 ASP 66 2HB ASP 66 28.134 25.851 4.162
547 H ASP 67 H ASP 67 26.834 24.406 1.077
548 HA ASP 67 HA ASP 67 24.508 25.590 1.988
549 HB2 ASP 67 1HB ASP 67 25.220 25.499 -0.389
550 HB3 ASP 67 2HB ASP 67 24.769 23.797 -0.435
551 H LEU 68 H LEU 68 25.114 22.147 1.359
552 HA LEU 68 HA LEU 68 22.547 21.216 1.991
553 HB2 LEU 68 1HB LEU 68 23.452 19.071 1.978
554 HB3 LEU 68 2HB LEU 68 24.478 19.983 0.872
555 HG LEU 68 HG LEU 68 25.943 20.258 3.076
556 HD11 LEU 68 1HD1 LEU 68 24.941 19.105 4.740
557 HD12 LEU 68 2HD1 LEU 68 25.790 17.749 4.000
558 HD13 LEU 68 3HD1 LEU 68 24.088 18.029 3.633
559 HD21 LEU 68 3HD2 LEU 68 26.170 18.910 0.729
560 HD22 LEU 68 1HD2 LEU 68 26.289 17.594 1.897
561 HD23 LEU 68 2HD2 LEU 68 27.408 18.954 1.985
562 H TYR 69 H TYR 69 25.358 21.863 4.011
563 HA TYR 69 HA TYR 69 24.348 20.695 6.382
564 HB2 TYR 69 1HB TYR 69 26.691 22.122 5.578
565 HB3 TYR 69 2HB TYR 69 26.068 22.856 7.051
566 HD1 TYR 69 HD2 TYR 69 27.094 19.601 5.578
567 HD2 TYR 69 HD1 TYR 69 26.442 21.847 9.133
568 HE1 TYR 69 HE2 TYR 69 28.109 17.792 6.900
569 HE2 TYR 69 HE1 TYR 69 27.457 20.045 10.465
570 HH TYR 69 HH TYR 69 29.141 18.153 10.021
571 H ALA 70 H ALA 70 24.445 24.079 5.277
572 HA ALA 70 HA ALA 70 23.112 25.206 7.460
573 HB1 ALA 70 1HB ALA 70 22.520 26.509 4.921
574 HB2 ALA 70 2HB ALA 70 23.368 27.122 6.341
575 HB3 ALA 70 3HB ALA 70 24.234 26.159 5.144
576 H LEU 71 H LEU 71 21.869 23.767 4.487
577 HA LEU 71 HA LEU 71 19.173 24.519 4.827
578 HB2 LEU 71 1HB LEU 71 20.620 22.465 3.234
579 HB3 LEU 71 2HB LEU 71 18.871 22.323 3.393
580 HG LEU 71 HG LEU 71 20.341 24.696 2.246
581 HD11 LEU 71 1HD1 LEU 71 18.559 22.827 0.733
582 HD12 LEU 71 2HD1 LEU 71 20.273 22.470 0.947
583 HD13 LEU 71 3HD1 LEU 71 19.777 23.949 0.124
584 HD21 LEU 71 3HD2 LEU 71 17.653 24.355 3.226
585 HD22 LEU 71 1HD2 LEU 71 17.652 24.718 1.500
586 HD23 LEU 71 2HD2 LEU 71 18.456 25.808 2.630
587 H GLU 72 H GLU 72 20.778 21.401 5.486
588 HA GLU 72 HA GLU 72 18.600 20.129 6.669
589 HB2 GLU 72 1HB GLU 72 20.187 18.564 7.597
590 HB3 GLU 72 2HB GLU 72 20.697 19.002 5.972
591 HG2 GLU 72 1HG GLU 72 22.468 20.306 6.750
592 HG3 GLU 72 2HG GLU 72 21.804 20.394 8.380
593 H ASN 73 H ASN 73 20.796 22.502 7.941
594 HA ASN 73 HA ASN 73 19.981 22.061 10.688
595 HB2 ASN 73 1HB ASN 73 22.303 22.722 10.163
596 HB3 ASN 73 2HB ASN 73 21.711 24.242 9.499
597 HD21 ASN 73 2HD2 ASN 73 20.831 25.792 10.902
598 HD22 ASN 73 1HD2 ASN 73 21.179 25.774 12.594
599 H LYS 74 H LYS 74 19.078 24.027 8.006
600 HA LYS 74 HA LYS 74 17.716 26.022 9.590
601 HB2 LYS 74 1HB LYS 74 18.420 25.643 6.791
602 HB3 LYS 74 2HB LYS 74 16.774 26.231 6.983
603 HG2 LYS 74 1HG LYS 74 18.400 28.046 6.707
604 HG3 LYS 74 2HG LYS 74 17.556 28.128 8.255
605 HD2 LYS 74 1HD LYS 74 19.504 28.100 9.324
606 HD3 LYS 74 2HD LYS 74 19.888 26.538 8.598
607 HE2 LYS 74 1HE LYS 74 20.816 27.665 6.645
608 HE3 LYS 74 2HE LYS 74 20.398 29.231 7.336
609 HZ1 LYS 74 3HZ LYS 74 21.885 28.696 9.214
610 HZ2 LYS 74 1HZ LYS 74 22.699 28.790 7.734
611 HZ3 LYS 74 2HZ LYS 74 22.357 27.281 8.417
612 H GLY 75 H GLY 75 16.990 22.952 8.220
613 HA2 GLY 75 1HA GLY 75 14.882 22.075 9.388
614 HA3 GLY 75 2HA GLY 75 14.102 23.419 8.568
615 H LYS 76 H LYS 76 16.480 22.398 6.551
616 HA LYS 76 HA LYS 76 14.575 21.005 4.864
617 HB2 LYS 76 1HB LYS 76 17.151 22.385 4.493
618 HB3 LYS 76 2HB LYS 76 16.921 20.971 3.472
619 HG2 LYS 76 1HG LYS 76 16.208 23.052 2.384
620 HG3 LYS 76 2HG LYS 76 14.883 21.900 2.573
621 HD2 LYS 76 1HD LYS 76 13.936 23.128 4.350
622 HD3 LYS 76 2HD LYS 76 15.396 24.096 4.563
623 HE2 LYS 76 1HE LYS 76 14.962 25.396 2.699
624 HE3 LYS 76 2HE LYS 76 13.923 24.176 1.964
625 HZ1 LYS 76 3HZ LYS 76 12.150 25.073 2.920
626 HZ2 LYS 76 1HZ LYS 76 13.119 26.370 3.411
627 HZ3 LYS 76 2HZ LYS 76 12.869 25.060 4.451
628 H LEU 77 H LEU 77 16.199 19.958 7.365
629 HA LEU 77 HA LEU 77 17.800 17.829 6.496
630 HB2 LEU 77 1HB LEU 77 17.981 18.477 8.748
631 HB3 LEU 77 2HB LEU 77 16.246 18.324 9.015
632 HG LEU 77 HG LEU 77 17.751 15.860 8.319
633 HD11 LEU 77 1HD1 LEU 77 18.251 15.579 10.779
634 HD12 LEU 77 2HD1 LEU 77 17.986 17.314 10.940
635 HD13 LEU 77 3HD1 LEU 77 19.279 16.713 9.903
636 HD21 LEU 77 3HD2 LEU 77 15.595 15.280 8.686
637 HD22 LEU 77 1HD2 LEU 77 15.287 16.660 9.740
638 HD23 LEU 77 2HD2 LEU 77 16.135 15.245 10.365
639 H ASP 78 H ASP 78 14.341 17.985 7.230
640 HA ASP 78 HA ASP 78 13.665 15.319 7.067
641 HB2 ASP 78 1HB ASP 78 12.170 17.808 6.272
642 HB3 ASP 78 2HB ASP 78 11.442 16.211 6.114
643 H SER 79 H SER 79 14.020 17.646 4.415
644 HA SER 79 HA SER 79 13.309 15.793 2.373
645 HB2 SER 79 1HB SER 79 13.064 18.165 1.963
646 HB3 SER 79 2HB SER 79 14.783 18.433 2.250
647 HG SER 79 HG SER 79 13.579 17.022 0.107
648 H LEU 80 H LEU 80 16.402 17.014 3.608
649 HA LEU 80 HA LEU 80 18.116 15.759 1.823
650 HB2 LEU 80 1HB LEU 80 18.306 16.914 4.499
651 HB3 LEU 80 2HB LEU 80 19.484 15.638 4.198
652 HG LEU 80 HG LEU 80 20.251 18.002 3.752
653 HD11 LEU 80 1HD1 LEU 80 21.456 16.100 2.878
654 HD12 LEU 80 2HD1 LEU 80 21.416 17.385 1.672
655 HD13 LEU 80 3HD1 LEU 80 20.349 15.991 1.509
656 HD21 LEU 80 3HD2 LEU 80 19.243 19.319 2.257
657 HD22 LEU 80 1HD2 LEU 80 17.884 18.201 2.372
658 HD23 LEU 80 2HD2 LEU 80 19.075 18.010 1.086
659 H LEU 81 H LEU 81 16.990 14.555 4.983
660 HA LEU 81 HA LEU 81 18.240 12.033 4.770
661 HB2 LEU 81 1HB LEU 81 15.776 12.739 6.354
662 HB3 LEU 81 2HB LEU 81 16.853 11.372 6.633
663 HG LEU 81 HG LEU 81 17.204 14.245 7.326
664 HD11 LEU 81 1HD1 LEU 81 18.216 13.173 9.346
665 HD12 LEU 81 2HD1 LEU 81 17.771 11.609 8.665
666 HD13 LEU 81 3HD1 LEU 81 16.518 12.780 9.074
667 HD21 LEU 81 3HD2 LEU 81 19.169 14.151 6.143
668 HD22 LEU 81 1HD2 LEU 81 19.355 12.413 6.376
669 HD23 LEU 81 2HD2 LEU 81 19.694 13.521 7.705
670 H GLN 82 H GLN 82 14.859 13.017 4.228
671 HA GLN 82 HA GLN 82 13.862 10.537 3.455
672 HB2 GLN 82 1HB GLN 82 12.382 12.385 3.938
673 HB3 GLN 82 2HB GLN 82 13.031 13.309 2.590
674 HG2 GLN 82 1HG GLN 82 11.969 11.983 1.006
675 HG3 GLN 82 2HG GLN 82 11.723 10.658 2.142
676 HE21 GLN 82 2HE2 GLN 82 11.019 14.126 2.336
677 HE22 GLN 82 1HE2 GLN 82 9.332 13.942 2.655
678 H ASP 83 H ASP 83 15.894 12.749 1.759
679 HA ASP 83 HA ASP 83 15.375 11.544 -0.834
680 HB2 ASP 83 1HB ASP 83 17.142 13.790 0.113
681 HB3 ASP 83 2HB ASP 83 17.287 13.132 -1.515
682 H VAL 84 H VAL 84 18.355 12.133 1.042
683 HA VAL 84 HA VAL 84 20.017 10.405 -0.320
684 HB VAL 84 HB VAL 84 21.392 10.292 1.723
685 HG11 VAL 84 1HG1 VAL 84 21.296 12.936 2.099
686 HG12 VAL 84 2HG1 VAL 84 21.979 12.201 0.647
687 HG13 VAL 84 3HG1 VAL 84 20.330 12.828 0.628
688 HG21 VAL 84 3HG2 VAL 84 18.872 10.839 2.984
689 HG22 VAL 84 1HG2 VAL 84 20.402 10.350 3.711
690 HG23 VAL 84 2HG2 VAL 84 20.058 12.060 3.448
691 H HIS 85 H HIS 85 17.570 9.679 2.051
692 HA HIS 85 HA HIS 85 18.321 7.170 2.927
693 HB2 HIS 85 1HB HIS 85 15.778 8.629 2.642
694 HB3 HIS 85 2HB HIS 85 15.618 6.875 2.681
695 HD1 HIS 85 HD1 HIS 85 17.678 6.114 4.768
696 HD2 HIS 85 HD2 HIS 85 15.133 9.374 5.165
697 HE1 HIS 85 HE1 HIS 85 17.544 6.565 7.238
Start of MODEL 4
1 H1 GLY -3 H GLY -3 4.920 12.538 7.815
2 HA2 GLY -3 1HA GLY -3 7.736 12.581 8.699
3 HA3 GLY -3 2HA GLY -3 6.769 11.118 8.822
4 HA PRO -2 HA PRO -2 8.958 11.554 4.621
5 HB2 PRO -2 1HB PRO -2 10.901 9.697 5.003
6 HB3 PRO -2 2HB PRO -2 11.119 11.409 5.386
7 HG2 PRO -2 1HG PRO -2 10.459 9.129 7.211
8 HG3 PRO -2 2HG PRO -2 11.598 10.466 7.457
9 HD2 PRO -2 1HD PRO -2 9.125 10.436 8.560
10 HD3 PRO -2 2HD PRO -2 9.932 11.938 8.067
11 H GLY -1 H GLY -1 9.643 9.446 3.261
12 HA2 GLY -1 1HA GLY -1 8.775 6.930 3.603
13 HA3 GLY -1 2HA GLY -1 7.267 7.779 3.297
14 H SER 0 H SER 0 10.522 7.329 1.938
15 HA SER 0 HA SER 0 9.524 6.633 -0.621
16 HB2 SER 0 1HB SER 0 10.320 9.476 -0.148
17 HB3 SER 0 2HB SER 0 10.730 8.732 -1.693
18 HG SER 0 HG SER 0 8.570 9.845 -1.378
19 H MET 1 H MET 1 11.482 6.908 -2.296
20 HA MET 1 HA MET 1 13.969 6.191 -0.899
21 HB2 MET 1 1HB MET 1 12.557 4.702 -3.093
22 HB3 MET 1 2HB MET 1 14.297 4.557 -2.887
23 HG2 MET 1 1HG MET 1 13.777 3.943 -0.463
24 HG3 MET 1 2HG MET 1 12.116 3.728 -1.011
25 HE1 MET 1 3HE MET 1 12.000 2.610 -3.598
26 HE2 MET 1 1HE MET 1 12.433 0.900 -3.642
27 HE3 MET 1 2HE MET 1 11.308 1.493 -2.421
28 H LYS 2 H LYS 2 15.600 7.441 -1.502
29 HA LYS 2 HA LYS 2 15.725 8.401 -4.271
30 HB2 LYS 2 1HB LYS 2 16.201 10.155 -1.855
31 HB3 LYS 2 2HB LYS 2 16.342 10.642 -3.539
32 HG2 LYS 2 1HG LYS 2 13.789 9.700 -2.254
33 HG3 LYS 2 2HG LYS 2 14.252 11.393 -2.441
34 HD2 LYS 2 1HD LYS 2 14.380 9.758 -4.890
35 HD3 LYS 2 2HD LYS 2 12.763 10.022 -4.234
36 HE2 LYS 2 1HE LYS 2 14.656 12.317 -4.549
37 HE3 LYS 2 2HE LYS 2 13.758 11.714 -5.941
38 HZ1 LYS 2 3HZ LYS 2 12.124 13.032 -5.251
39 HZ2 LYS 2 1HZ LYS 2 12.853 13.311 -3.750
40 HZ3 LYS 2 2HZ LYS 2 11.879 11.947 -3.977
41 H GLU 3 H GLU 3 17.963 9.642 -4.501
42 HA GLU 3 HA GLU 3 20.049 8.195 -3.035
43 HB2 GLU 3 1HB GLU 3 21.218 7.567 -5.013
44 HB3 GLU 3 2HB GLU 3 19.552 7.042 -5.217
45 HG2 GLU 3 1HG GLU 3 19.354 9.421 -6.379
46 HG3 GLU 3 2HG GLU 3 21.073 9.137 -6.648
47 H ILE 4 H ILE 4 22.016 9.275 -2.855
48 HA ILE 4 HA ILE 4 21.907 12.124 -3.585
49 HB ILE 4 HB ILE 4 22.059 11.553 -1.148
50 HG12 ILE 4 1HG1 ILE 4 23.084 13.637 -2.452
51 HG13 ILE 4 2HG1 ILE 4 23.297 13.434 -0.717
52 HG21 ILE 4 1HG2 ILE 4 24.795 10.569 -1.945
53 HG22 ILE 4 2HG2 ILE 4 24.253 10.826 -0.288
54 HG23 ILE 4 3HG2 ILE 4 23.477 9.599 -1.288
55 HD11 ILE 4 3HD1 ILE 4 25.349 14.080 -1.986
56 HD12 ILE 4 1HD1 ILE 4 25.505 12.626 -1.002
57 HD13 ILE 4 2HD1 ILE 4 25.298 12.491 -2.748
58 H ILE 5 H ILE 5 23.503 13.046 -4.764
59 HA ILE 5 HA ILE 5 25.865 11.425 -5.417
60 HB ILE 5 HB ILE 5 24.488 13.061 -7.528
61 HG12 ILE 5 1HG1 ILE 5 24.042 10.135 -6.900
62 HG13 ILE 5 2HG1 ILE 5 22.849 11.422 -6.763
63 HG21 ILE 5 1HG2 ILE 5 25.838 11.883 -9.047
64 HG22 ILE 5 2HG2 ILE 5 26.903 12.277 -7.699
65 HG23 ILE 5 3HG2 ILE 5 26.246 10.648 -7.856
66 HD11 ILE 5 3HD1 ILE 5 22.397 10.231 -8.758
67 HD12 ILE 5 1HD1 ILE 5 23.094 11.782 -9.225
68 HD13 ILE 5 2HD1 ILE 5 24.082 10.321 -9.270
69 H LEU 6 H LEU 6 27.750 12.562 -5.780
70 HA LEU 6 HA LEU 6 27.607 15.466 -5.299
71 HB2 LEU 6 1HB LEU 6 30.125 14.843 -4.549
72 HB3 LEU 6 2HB LEU 6 28.754 14.951 -3.447
73 HG LEU 6 HG LEU 6 29.338 12.318 -4.704
74 HD11 LEU 6 1HD1 LEU 6 31.212 11.853 -3.538
75 HD12 LEU 6 2HD1 LEU 6 30.764 12.894 -2.187
76 HD13 LEU 6 3HD1 LEU 6 31.449 13.598 -3.651
77 HD21 LEU 6 3HD2 LEU 6 27.756 11.752 -3.255
78 HD22 LEU 6 1HD2 LEU 6 27.738 13.381 -2.580
79 HD23 LEU 6 2HD2 LEU 6 28.852 12.174 -1.939
80 H TYR 7 H TYR 7 28.194 16.623 -7.000
81 HA TYR 7 HA TYR 7 29.928 15.407 -9.027
82 HB2 TYR 7 1HB TYR 7 28.082 17.796 -9.118
83 HB3 TYR 7 2HB TYR 7 29.166 17.360 -10.434
84 HD1 TYR 7 HD1 TYR 7 28.766 15.338 -11.757
85 HD2 TYR 7 HD2 TYR 7 26.088 16.514 -8.667
86 HE1 TYR 7 HE1 TYR 7 27.068 13.801 -12.652
87 HE2 TYR 7 HE2 TYR 7 24.383 14.979 -9.553
88 HH TYR 7 HH TYR 7 23.897 13.940 -11.924
89 H THR 8 H THR 8 32.018 15.779 -8.669
90 HA THR 8 HA THR 8 33.131 18.349 -8.840
91 HB THR 8 HB THR 8 34.143 17.839 -6.302
92 HG1 THR 8 HG1 THR 8 32.515 16.531 -5.632
93 HG21 THR 8 3HG2 THR 8 33.872 20.058 -6.741
94 HG22 THR 8 1HG2 THR 8 32.415 19.807 -5.782
95 HG23 THR 8 2HG2 THR 8 32.320 19.823 -7.543
96 H ARG 9 H ARG 9 35.551 18.229 -7.921
97 HA ARG 9 HA ARG 9 36.688 15.885 -9.205
98 HB2 ARG 9 1HB ARG 9 38.854 17.114 -8.874
99 HB3 ARG 9 2HB ARG 9 37.663 17.967 -9.847
100 HG2 ARG 9 1HG ARG 9 37.282 19.560 -8.235
101 HG3 ARG 9 2HG ARG 9 37.815 18.509 -6.921
102 HD2 ARG 9 1HD ARG 9 40.124 18.705 -7.700
103 HD3 ARG 9 2HD ARG 9 39.593 19.743 -9.022
104 HE ARG 9 HE ARG 9 40.000 20.500 -6.289
105 HH11 ARG 9 1HH1 ARG 9 38.231 21.219 -9.200
106 HH12 ARG 9 2HH1 ARG 9 37.963 22.879 -8.782
107 HH21 ARG 9 1HH2 ARG 9 39.654 22.683 -5.728
108 HH22 ARG 9 2HH2 ARG 9 38.773 23.711 -6.807
109 HA PRO 10 HA PRO 10 37.814 13.697 -5.571
110 HB2 PRO 10 1HB PRO 10 40.185 12.602 -6.313
111 HB3 PRO 10 2HB PRO 10 38.631 12.053 -6.952
112 HG2 PRO 10 1HG PRO 10 40.638 13.902 -8.183
113 HG3 PRO 10 2HG PRO 10 39.720 12.586 -8.937
114 HD2 PRO 10 1HD PRO 10 39.015 15.187 -9.195
115 HD3 PRO 10 2HD PRO 10 37.822 13.872 -9.168
116 H ASN 11 H ASN 11 39.616 13.394 -3.968
117 HA ASN 11 HA ASN 11 41.107 14.242 -2.474
118 HB2 ASN 11 1HB ASN 11 42.120 15.011 -5.073
119 HB3 ASN 11 2HB ASN 11 42.524 16.225 -3.863
120 HD21 ASN 11 2HD2 ASN 11 42.957 12.944 -4.892
121 HD22 ASN 11 1HD2 ASN 11 44.275 12.571 -3.839
122 H CYS 12 H CYS 12 38.508 15.675 -3.310
123 HA CYS 12 HA CYS 12 38.998 18.425 -2.606
124 HB2 CYS 12 1HB CYS 12 36.491 18.585 -2.667
125 HB3 CYS 12 2HB CYS 12 37.221 18.000 -4.158
126 HA PRO 13 HA PRO 13 38.873 17.485 1.769
127 HB2 PRO 13 1HB PRO 13 39.435 20.015 2.578
128 HB3 PRO 13 2HB PRO 13 40.670 18.901 1.981
129 HG2 PRO 13 1HG PRO 13 39.261 21.116 0.542
130 HG3 PRO 13 2HG PRO 13 40.979 20.676 0.510
131 HD2 PRO 13 1HD PRO 13 39.258 19.978 -1.462
132 HD3 PRO 13 2HD PRO 13 40.641 18.965 -0.998
133 H TYR 14 H TYR 14 36.908 19.611 -0.072
134 HA TYR 14 HA TYR 14 35.271 20.508 2.121
135 HB2 TYR 14 1HB TYR 14 34.882 20.682 -0.873
136 HB3 TYR 14 2HB TYR 14 33.818 21.429 0.314
137 HD1 TYR 14 HD1 TYR 14 34.842 23.154 1.903
138 HD2 TYR 14 HD2 TYR 14 36.792 21.803 -1.629
139 HE1 TYR 14 HE1 TYR 14 36.277 25.151 1.939
140 HE2 TYR 14 HE2 TYR 14 38.233 23.796 -1.602
141 HH TYR 14 HH TYR 14 38.311 25.999 -0.714
142 H CYS 15 H CYS 15 35.133 18.001 -0.340
143 HA CYS 15 HA CYS 15 32.464 17.216 -0.002
144 HB2 CYS 15 1HB CYS 15 34.780 15.405 -0.706
145 HB3 CYS 15 2HB CYS 15 33.083 15.164 -1.106
146 H LYS 16 H LYS 16 35.264 16.695 1.953
147 HA LYS 16 HA LYS 16 34.692 14.389 3.333
148 HB2 LYS 16 1HB LYS 16 36.225 16.823 3.852
149 HB3 LYS 16 2HB LYS 16 35.622 16.067 5.321
150 HG2 LYS 16 1HG LYS 16 37.426 14.775 5.221
151 HG3 LYS 16 2HG LYS 16 36.620 13.940 3.891
152 HD2 LYS 16 1HD LYS 16 38.508 14.474 2.772
153 HD3 LYS 16 2HD LYS 16 37.696 16.027 2.564
154 HE2 LYS 16 1HE LYS 16 39.031 17.083 4.086
155 HE3 LYS 16 2HE LYS 16 39.295 15.620 5.032
156 HZ1 LYS 16 3HZ LYS 16 41.034 16.742 3.231
157 HZ2 LYS 16 1HZ LYS 16 40.415 15.388 2.426
158 HZ3 LYS 16 2HZ LYS 16 41.162 15.208 3.933
159 H ARG 17 H ARG 17 33.359 17.622 3.849
160 HA ARG 17 HA ARG 17 31.913 17.026 6.195
161 HB2 ARG 17 1HB ARG 17 31.735 19.166 4.106
162 HB3 ARG 17 2HB ARG 17 30.473 19.030 5.322
163 HG2 ARG 17 1HG ARG 17 31.959 20.602 6.189
164 HG3 ARG 17 2HG ARG 17 32.357 19.107 7.040
165 HD2 ARG 17 1HD ARG 17 34.278 18.752 5.693
166 HD3 ARG 17 2HD ARG 17 33.799 20.016 4.561
167 HE ARG 17 HE ARG 17 34.080 21.248 7.014
168 HH11 ARG 17 1HH1 ARG 17 36.100 19.456 4.817
169 HH12 ARG 17 2HH1 ARG 17 37.554 20.278 5.278
170 HH21 ARG 17 1HH2 ARG 17 35.987 22.337 7.629
171 HH22 ARG 17 2HH2 ARG 17 37.489 21.916 6.878
172 H ALA 18 H ALA 18 30.835 17.223 2.803
173 HA ALA 18 HA ALA 18 28.190 16.437 3.223
174 HB1 ALA 18 1HB ALA 18 28.193 15.822 0.824
175 HB2 ALA 18 2HB ALA 18 28.876 17.418 1.135
176 HB3 ALA 18 3HB ALA 18 29.942 16.054 0.800
177 H ARG 19 H ARG 19 30.950 14.433 2.171
178 HA ARG 19 HA ARG 19 29.610 11.985 2.168
179 HB2 ARG 19 1HB ARG 19 31.755 10.952 2.087
180 HB3 ARG 19 2HB ARG 19 31.886 12.466 1.202
181 HG2 ARG 19 1HG ARG 19 32.932 13.512 3.149
182 HG3 ARG 19 2HG ARG 19 32.809 11.986 4.027
183 HD2 ARG 19 1HD ARG 19 34.052 11.217 1.721
184 HD3 ARG 19 2HD ARG 19 34.713 12.833 1.968
185 HE ARG 19 HE ARG 19 35.945 11.997 3.691
186 HH11 ARG 19 1HH1 ARG 19 33.255 9.862 3.119
187 HH12 ARG 19 2HH1 ARG 19 33.776 8.683 4.275
188 HH21 ARG 19 1HH2 ARG 19 36.642 10.451 5.217
189 HH22 ARG 19 2HH2 ARG 19 35.703 9.019 5.469
190 H ASP 20 H ASP 20 31.114 13.777 4.777
191 HA ASP 20 HA ASP 20 31.152 11.713 6.699
192 HB2 ASP 20 1HB ASP 20 32.475 13.591 7.201
193 HB3 ASP 20 2HB ASP 20 31.157 14.715 6.883
194 H LEU 21 H LEU 21 28.776 14.278 6.054
195 HA LEU 21 HA LEU 21 26.967 13.571 8.082
196 HB2 LEU 21 1HB LEU 21 27.063 15.685 6.634
197 HB3 LEU 21 2HB LEU 21 26.147 14.756 5.449
198 HG LEU 21 HG LEU 21 24.723 14.470 7.827
199 HD11 LEU 21 1HD1 LEU 21 26.276 16.486 8.471
200 HD12 LEU 21 2HD1 LEU 21 24.563 16.491 8.889
201 HD13 LEU 21 3HD1 LEU 21 25.130 17.400 7.489
202 HD21 LEU 21 3HD2 LEU 21 23.337 14.679 6.069
203 HD22 LEU 21 1HD2 LEU 21 24.418 15.779 5.213
204 HD23 LEU 21 2HD2 LEU 21 23.366 16.393 6.488
205 H LEU 22 H LEU 22 26.999 12.716 4.627
206 HA LEU 22 HA LEU 22 24.704 11.097 4.677
207 HB2 LEU 22 1HB LEU 22 27.065 10.692 2.860
208 HB3 LEU 22 2HB LEU 22 25.374 10.306 2.544
209 HG LEU 22 HG LEU 22 26.046 13.156 3.021
210 HD11 LEU 22 1HD1 LEU 22 27.853 12.722 1.595
211 HD12 LEU 22 2HD1 LEU 22 26.578 13.321 0.534
212 HD13 LEU 22 3HD1 LEU 22 26.921 11.593 0.612
213 HD21 LEU 22 3HD2 LEU 22 24.471 12.545 0.702
214 HD22 LEU 22 1HD2 LEU 22 24.015 13.416 2.166
215 HD23 LEU 22 2HD2 LEU 22 23.859 11.661 2.100
216 H ASP 23 H ASP 23 28.136 10.119 4.678
217 HA ASP 23 HA ASP 23 27.752 7.396 5.043
218 HB2 ASP 23 1HB ASP 23 29.929 8.317 4.480
219 HB3 ASP 23 2HB ASP 23 30.014 9.144 6.032
220 H LYS 24 H LYS 24 27.617 10.008 7.353
221 HA LYS 24 HA LYS 24 27.699 8.341 9.679
222 HB2 LYS 24 1HB LYS 24 28.384 10.683 9.790
223 HB3 LYS 24 2HB LYS 24 26.767 11.196 9.325
224 HG2 LYS 24 1HG LYS 24 26.979 11.499 11.671
225 HG3 LYS 24 2HG LYS 24 25.909 10.120 11.407
226 HD2 LYS 24 1HD LYS 24 27.300 9.319 13.064
227 HD3 LYS 24 2HD LYS 24 28.110 8.733 11.609
228 HE2 LYS 24 1HE LYS 24 29.828 9.643 12.915
229 HE3 LYS 24 2HE LYS 24 29.477 10.888 11.717
230 HZ1 LYS 24 3HZ LYS 24 29.193 10.966 14.574
231 HZ2 LYS 24 1HZ LYS 24 27.812 11.508 13.760
232 HZ3 LYS 24 2HZ LYS 24 29.309 12.238 13.465
233 H LYS 25 H LYS 25 25.174 9.724 7.663
234 HA LYS 25 HA LYS 25 23.012 9.031 9.386
235 HB2 LYS 25 1HB LYS 25 23.183 9.809 6.481
236 HB3 LYS 25 2HB LYS 25 21.655 9.370 7.234
237 HG2 LYS 25 1HG LYS 25 23.459 11.626 8.086
238 HG3 LYS 25 2HG LYS 25 21.952 11.781 7.180
239 HD2 LYS 25 1HD LYS 25 21.248 10.277 9.397
240 HD3 LYS 25 2HD LYS 25 22.383 11.468 10.036
241 HE2 LYS 25 1HE LYS 25 20.706 12.867 8.278
242 HE3 LYS 25 2HE LYS 25 19.648 11.805 9.206
243 HZ1 LYS 25 3HZ LYS 25 21.382 12.869 11.045
244 HZ2 LYS 25 1HZ LYS 25 19.767 13.314 10.810
245 HZ3 LYS 25 2HZ LYS 25 21.001 14.169 10.033
246 H GLY 26 H GLY 26 24.741 7.396 6.819
247 HA2 GLY 26 1HA GLY 26 24.830 5.004 6.754
248 HA3 GLY 26 2HA GLY 26 23.214 4.961 7.446
249 H VAL 27 H VAL 27 24.475 6.783 4.670
250 HA VAL 27 HA VAL 27 22.558 5.329 2.965
251 HB VAL 27 HB VAL 27 22.581 7.551 1.606
252 HG11 VAL 27 1HG1 VAL 27 21.096 7.337 4.224
253 HG12 VAL 27 2HG1 VAL 27 20.642 8.354 2.855
254 HG13 VAL 27 3HG1 VAL 27 20.613 6.597 2.698
255 HG21 VAL 27 3HG2 VAL 27 24.339 8.636 2.919
256 HG22 VAL 27 1HG2 VAL 27 22.834 9.553 2.976
257 HG23 VAL 27 2HG2 VAL 27 23.315 8.562 4.353
258 H LYS 28 H LYS 28 23.110 5.587 0.585
259 HA LYS 28 HA LYS 28 26.014 5.239 0.260
260 HB2 LYS 28 1HB LYS 28 23.639 3.952 -0.988
261 HB3 LYS 28 2HB LYS 28 25.064 4.165 -1.995
262 HG2 LYS 28 1HG LYS 28 25.483 2.095 -1.149
263 HG3 LYS 28 2HG LYS 28 26.279 3.087 0.076
264 HD2 LYS 28 1HD LYS 28 24.461 2.852 1.578
265 HD3 LYS 28 2HD LYS 28 23.419 2.178 0.322
266 HE2 LYS 28 1HE LYS 28 24.174 0.410 1.783
267 HE3 LYS 28 2HE LYS 28 24.905 0.212 0.191
268 HZ1 LYS 28 3HZ LYS 28 26.154 0.736 2.735
269 HZ2 LYS 28 1HZ LYS 28 26.729 1.714 1.480
270 HZ3 LYS 28 2HZ LYS 28 26.797 0.030 1.339
271 H TYR 29 H TYR 29 26.912 7.066 -0.452
272 HA TYR 29 HA TYR 29 25.455 8.752 -2.346
273 HB2 TYR 29 1HB TYR 29 27.070 10.470 -1.834
274 HB3 TYR 29 2HB TYR 29 26.496 9.775 -0.322
275 HD1 TYR 29 HD2 TYR 29 29.345 9.967 -2.648
276 HD2 TYR 29 HD1 TYR 29 27.980 8.590 1.139
277 HE1 TYR 29 HE2 TYR 29 31.669 9.519 -1.980
278 HE2 TYR 29 HE1 TYR 29 30.301 8.140 1.819
279 HH TYR 29 HH TYR 29 33.015 9.137 -0.144
280 H THR 30 H THR 30 26.258 9.314 -4.358
281 HA THR 30 HA THR 30 28.371 7.541 -5.382
282 HB THR 30 HB THR 30 26.118 8.920 -6.853
283 HG1 THR 30 HG1 THR 30 25.129 7.101 -6.455
284 HG21 THR 30 3HG2 THR 30 28.440 7.285 -7.856
285 HG22 THR 30 1HG2 THR 30 27.950 8.903 -8.355
286 HG23 THR 30 2HG2 THR 30 26.960 7.509 -8.788
287 H ASP 31 H ASP 31 30.264 8.433 -5.842
288 HA ASP 31 HA ASP 31 30.520 11.321 -5.967
289 HB2 ASP 31 1HB ASP 31 32.871 10.977 -5.788
290 HB3 ASP 31 2HB ASP 31 32.114 9.825 -4.691
291 H ILE 32 H ILE 32 30.693 12.478 -7.773
292 HA ILE 32 HA ILE 32 31.110 11.034 -10.307
293 HB ILE 32 HB ILE 32 29.639 13.637 -9.882
294 HG12 ILE 32 1HG1 ILE 32 28.488 11.588 -8.997
295 HG13 ILE 32 2HG1 ILE 32 27.609 12.413 -10.280
296 HG21 ILE 32 1HG2 ILE 32 30.258 13.887 -12.041
297 HG22 ILE 32 2HG2 ILE 32 30.534 12.162 -12.275
298 HG23 ILE 32 3HG2 ILE 32 28.893 12.806 -12.322
299 HD11 ILE 32 3HD1 ILE 32 27.669 10.627 -11.598
300 HD12 ILE 32 1HD1 ILE 32 29.381 10.347 -11.287
301 HD13 ILE 32 2HD1 ILE 32 28.168 9.732 -10.163
302 H ASP 33 H ASP 33 32.960 11.430 -11.307
303 HA ASP 33 HA ASP 33 34.915 13.193 -10.437
304 HB2 ASP 33 1HB ASP 33 35.831 12.910 -12.831
305 HB3 ASP 33 2HB ASP 33 35.652 11.464 -11.840
306 H ALA 34 H ALA 34 35.556 15.241 -10.997
307 HA ALA 34 HA ALA 34 33.581 17.097 -11.721
308 HB1 ALA 34 1HB ALA 34 35.228 18.097 -10.503
309 HB2 ALA 34 2HB ALA 34 36.520 17.203 -11.305
310 HB3 ALA 34 3HB ALA 34 35.747 18.560 -12.124
311 H SER 35 H SER 35 35.561 15.083 -13.642
312 HA SER 35 HA SER 35 35.998 16.523 -15.947
313 HB2 SER 35 1HB SER 35 35.269 13.607 -15.619
314 HB3 SER 35 2HB SER 35 35.813 14.309 -17.142
315 HG SER 35 HG SER 35 37.571 13.433 -16.045
316 H THR 36 H THR 36 34.570 17.792 -16.936
317 HA THR 36 HA THR 36 31.806 17.613 -16.851
318 HB THR 36 HB THR 36 31.728 19.172 -18.676
319 HG1 THR 36 HG1 THR 36 33.883 19.607 -19.732
320 HG21 THR 36 3HG2 THR 36 33.285 19.554 -16.388
321 HG22 THR 36 1HG2 THR 36 32.588 20.804 -17.419
322 HG23 THR 36 2HG2 THR 36 34.233 20.236 -17.710
323 H SER 37 H SER 37 34.070 15.875 -18.817
324 HA SER 37 HA SER 37 32.572 15.120 -20.999
325 HB2 SER 37 1HB SER 37 34.286 13.108 -19.566
326 HB3 SER 37 2HB SER 37 34.083 13.355 -21.301
327 HG SER 37 HG SER 37 36.015 14.256 -20.834
328 H LEU 38 H LEU 38 32.309 14.046 -17.690
329 HA LEU 38 HA LEU 38 30.041 12.337 -18.473
330 HB2 LEU 38 1HB LEU 38 32.195 11.903 -16.443
331 HB3 LEU 38 2HB LEU 38 30.616 11.146 -16.242
332 HG LEU 38 HG LEU 38 31.081 10.276 -18.680
333 HD11 LEU 38 1HD1 LEU 38 33.065 11.195 -19.340
334 HD12 LEU 38 2HD1 LEU 38 33.648 9.695 -18.619
335 HD13 LEU 38 3HD1 LEU 38 33.735 11.203 -17.708
336 HD21 LEU 38 3HD2 LEU 38 32.167 8.275 -17.682
337 HD22 LEU 38 1HD2 LEU 38 30.735 8.817 -16.806
338 HD23 LEU 38 2HD2 LEU 38 32.343 9.173 -16.174
339 H ARG 39 H ARG 39 31.321 14.724 -16.284
340 HA ARG 39 HA ARG 39 29.153 14.695 -14.439
341 HB2 ARG 39 1HB ARG 39 31.240 15.601 -13.705
342 HB3 ARG 39 2HB ARG 39 31.287 16.738 -15.046
343 HG2 ARG 39 1HG ARG 39 28.958 16.946 -13.252
344 HG3 ARG 39 2HG ARG 39 30.521 17.396 -12.567
345 HD2 ARG 39 1HD ARG 39 29.745 18.447 -15.248
346 HD3 ARG 39 2HD ARG 39 29.034 19.168 -13.805
347 HE ARG 39 HE ARG 39 31.672 19.178 -13.243
348 HH11 ARG 39 1HH1 ARG 39 29.824 20.274 -15.982
349 HH12 ARG 39 2HH1 ARG 39 30.928 21.549 -16.381
350 HH21 ARG 39 1HH2 ARG 39 33.132 20.853 -13.758
351 HH22 ARG 39 2HH2 ARG 39 32.809 21.877 -15.116
352 H GLN 40 H GLN 40 29.889 16.541 -17.353
353 HA GLN 40 HA GLN 40 27.748 18.377 -17.126
354 HB2 GLN 40 1HB GLN 40 29.865 18.420 -18.652
355 HB3 GLN 40 2HB GLN 40 28.858 17.513 -19.774
356 HG2 GLN 40 1HG GLN 40 27.193 19.332 -19.694
357 HG3 GLN 40 2HG GLN 40 28.287 20.248 -18.659
358 HE21 GLN 40 2HE2 GLN 40 27.248 19.911 -21.730
359 HE22 GLN 40 1HE2 GLN 40 28.615 20.534 -22.582
360 H GLU 41 H GLU 41 28.095 15.316 -18.893
361 HA GLU 41 HA GLU 41 25.475 15.372 -19.995
362 HB2 GLU 41 1HB GLU 41 25.901 12.985 -20.527
363 HB3 GLU 41 2HB GLU 41 27.191 14.053 -21.060
364 HG2 GLU 41 1HG GLU 41 28.463 12.438 -20.135
365 HG3 GLU 41 2HG GLU 41 28.182 13.399 -18.684
366 H MET 42 H MET 42 26.845 14.174 -17.012
367 HA MET 42 HA MET 42 24.563 12.613 -16.265
368 HB2 MET 42 1HB MET 42 27.063 13.516 -14.889
369 HB3 MET 42 2HB MET 42 25.742 12.856 -13.934
370 HG2 MET 42 1HG MET 42 25.895 10.761 -14.959
371 HG3 MET 42 2HG MET 42 26.860 11.389 -16.293
372 HE1 MET 42 3HE MET 42 28.441 9.052 -13.026
373 HE2 MET 42 1HE MET 42 26.766 9.285 -13.526
374 HE3 MET 42 2HE MET 42 27.951 8.668 -14.677
375 H VAL 43 H VAL 43 25.866 15.748 -15.186
376 HA VAL 43 HA VAL 43 23.772 16.361 -13.413
377 HB VAL 43 HB VAL 43 25.999 17.512 -13.490
378 HG11 VAL 43 1HG1 VAL 43 24.811 19.204 -15.671
379 HG12 VAL 43 2HG1 VAL 43 26.466 19.202 -15.060
380 HG13 VAL 43 3HG1 VAL 43 25.874 17.838 -16.009
381 HG21 VAL 43 3HG2 VAL 43 23.373 18.733 -13.115
382 HG22 VAL 43 1HG2 VAL 43 24.795 18.757 -12.073
383 HG23 VAL 43 2HG2 VAL 43 24.660 19.903 -13.406
384 H GLN 44 H GLN 44 24.180 16.922 -16.861
385 HA GLN 44 HA GLN 44 21.868 18.594 -17.110
386 HB2 GLN 44 1HB GLN 44 22.323 18.645 -19.411
387 HB3 GLN 44 2HB GLN 44 23.908 18.516 -18.660
388 HG2 GLN 44 1HG GLN 44 23.902 16.101 -19.101
389 HG3 GLN 44 2HG GLN 44 22.339 16.267 -19.900
390 HE21 GLN 44 2HE2 GLN 44 22.331 16.646 -22.005
391 HE22 GLN 44 1HE2 GLN 44 23.688 17.155 -22.944
392 H ARG 45 H ARG 45 22.557 15.169 -17.512
393 HA ARG 45 HA ARG 45 19.942 14.577 -18.570
394 HB2 ARG 45 1HB ARG 45 21.968 13.264 -19.176
395 HB3 ARG 45 2HB ARG 45 22.049 12.683 -17.518
396 HG2 ARG 45 1HG ARG 45 21.034 11.032 -18.984
397 HG3 ARG 45 2HG ARG 45 19.881 11.604 -17.777
398 HD2 ARG 45 1HD ARG 45 18.776 12.983 -19.372
399 HD3 ARG 45 2HD ARG 45 20.048 12.727 -20.565
400 HE ARG 45 HE ARG 45 19.069 10.735 -21.138
401 HH11 ARG 45 1HH1 ARG 45 17.725 11.858 -18.130
402 HH12 ARG 45 2HH1 ARG 45 16.478 10.656 -18.087
403 HH21 ARG 45 1HH2 ARG 45 17.432 9.147 -21.093
404 HH22 ARG 45 2HH2 ARG 45 16.313 9.113 -19.773
405 H ALA 46 H ALA 46 21.235 15.107 -15.497
406 HA ALA 46 HA ALA 46 19.239 13.446 -14.148
407 HB1 ALA 46 1HB ALA 46 21.674 14.921 -13.204
408 HB2 ALA 46 2HB ALA 46 20.461 14.325 -12.071
409 HB3 ALA 46 3HB ALA 46 21.319 13.195 -13.119
410 H ASN 47 H ASN 47 20.218 16.828 -14.500
411 HA ASN 47 HA ASN 47 17.831 17.673 -13.024
412 HB2 ASN 47 1HB ASN 47 18.995 19.491 -12.379
413 HB3 ASN 47 2HB ASN 47 20.412 18.615 -12.951
414 HD21 ASN 47 2HD2 ASN 47 21.549 19.422 -14.595
415 HD22 ASN 47 1HD2 ASN 47 21.101 20.808 -15.523
416 H GLY 48 H GLY 48 19.423 18.001 -16.163
417 HA2 GLY 48 1HA GLY 48 17.502 17.919 -17.928
418 HA3 GLY 48 2HA GLY 48 17.095 19.463 -17.194
419 H ARG 49 H ARG 49 19.573 20.582 -16.804
420 HA ARG 49 HA ARG 49 21.255 20.424 -19.082
421 HB2 ARG 49 1HB ARG 49 19.355 21.491 -20.189
422 HB3 ARG 49 2HB ARG 49 19.339 22.760 -18.972
423 HG2 ARG 49 1HG ARG 49 20.422 23.766 -20.742
424 HG3 ARG 49 2HG ARG 49 21.765 23.205 -19.743
425 HD2 ARG 49 1HD ARG 49 22.127 21.320 -21.160
426 HD3 ARG 49 2HD ARG 49 20.638 21.634 -22.052
427 HE ARG 49 HE ARG 49 23.190 22.912 -22.425
428 HH11 ARG 49 1HH1 ARG 49 19.748 23.178 -22.877
429 HH12 ARG 49 2HH1 ARG 49 19.876 24.305 -24.187
430 HH21 ARG 49 1HH2 ARG 49 23.371 24.395 -24.149
431 HH22 ARG 49 2HH2 ARG 49 21.937 24.995 -24.910
432 H ASN 50 H ASN 50 23.016 20.561 -17.799
433 HA ASN 50 HA ASN 50 23.634 23.144 -16.650
434 HB2 ASN 50 1HB ASN 50 22.475 22.018 -14.796
435 HB3 ASN 50 2HB ASN 50 23.592 20.662 -14.918
436 HD21 ASN 50 2HD2 ASN 50 23.104 23.871 -13.791
437 HD22 ASN 50 1HD2 ASN 50 24.602 24.035 -12.945
438 H THR 51 H THR 51 25.862 23.445 -16.249
439 HA THR 51 HA THR 51 27.658 21.268 -17.026
440 HB THR 51 HB THR 51 27.292 22.505 -19.095
441 HG1 THR 51 HG1 THR 51 29.446 22.803 -19.547
442 HG21 THR 51 3HG2 THR 51 26.823 24.685 -17.696
443 HG22 THR 51 1HG2 THR 51 27.466 24.786 -19.335
444 HG23 THR 51 2HG2 THR 51 28.546 24.958 -17.951
445 H PHE 52 H PHE 52 27.324 22.045 -14.459
446 HA PHE 52 HA PHE 52 29.938 23.131 -13.829
447 HB2 PHE 52 1HB PHE 52 27.381 24.441 -12.891
448 HB3 PHE 52 2HB PHE 52 28.958 24.746 -12.170
449 HD1 PHE 52 HD2 PHE 52 30.747 25.806 -13.541
450 HD2 PHE 52 HD1 PHE 52 26.724 25.489 -14.895
451 HE1 PHE 52 HE2 PHE 52 31.179 27.548 -15.224
452 HE2 PHE 52 HE1 PHE 52 27.150 27.230 -16.581
453 HZ PHE 52 HZ PHE 52 29.380 28.263 -16.746
454 HA PRO 53 HA PRO 53 29.744 20.170 -10.593
455 HB2 PRO 53 1HB PRO 53 31.427 21.292 -8.783
456 HB3 PRO 53 2HB PRO 53 31.989 20.550 -10.285
457 HG2 PRO 53 1HG PRO 53 31.546 23.442 -9.651
458 HG3 PRO 53 2HG PRO 53 32.889 22.681 -10.524
459 HD2 PRO 53 1HD PRO 53 30.848 23.931 -11.792
460 HD3 PRO 53 2HD PRO 53 31.692 22.533 -12.489
461 H GLN 54 H GLN 54 28.742 19.741 -8.643
462 HA GLN 54 HA GLN 54 28.043 21.614 -6.690
463 HB2 GLN 54 1HB GLN 54 25.524 21.609 -7.176
464 HB3 GLN 54 2HB GLN 54 26.536 22.683 -8.132
465 HG2 GLN 54 1HG GLN 54 24.923 21.612 -9.552
466 HG3 GLN 54 2HG GLN 54 26.539 21.029 -9.949
467 HE21 GLN 54 2HE2 GLN 54 24.291 20.129 -7.366
468 HE22 GLN 54 1HE2 GLN 54 24.198 18.457 -7.790
469 H ILE 55 H ILE 55 26.047 20.718 -5.359
470 HA ILE 55 HA ILE 55 26.567 17.851 -5.028
471 HB ILE 55 HB ILE 55 25.358 19.864 -3.131
472 HG12 ILE 55 1HG1 ILE 55 27.463 19.013 -1.808
473 HG13 ILE 55 2HG1 ILE 55 28.041 18.559 -3.408
474 HG21 ILE 55 1HG2 ILE 55 25.628 17.895 -1.496
475 HG22 ILE 55 2HG2 ILE 55 24.247 17.891 -2.592
476 HG23 ILE 55 3HG2 ILE 55 25.654 16.888 -2.944
477 HD11 ILE 55 3HD1 ILE 55 27.005 21.307 -3.090
478 HD12 ILE 55 1HD1 ILE 55 28.537 20.924 -2.306
479 HD13 ILE 55 2HD1 ILE 55 28.358 20.702 -4.047
480 H PHE 56 H PHE 56 25.129 16.473 -5.808
481 HA PHE 56 HA PHE 56 22.399 17.378 -6.329
482 HB2 PHE 56 1HB PHE 56 24.193 15.719 -7.725
483 HB3 PHE 56 2HB PHE 56 22.908 14.661 -7.151
484 HD1 PHE 56 HD1 PHE 56 20.614 14.969 -7.901
485 HD2 PHE 56 HD2 PHE 56 23.772 17.416 -9.369
486 HE1 PHE 56 HE1 PHE 56 19.170 15.718 -9.747
487 HE2 PHE 56 HE2 PHE 56 22.333 18.170 -11.217
488 HZ PHE 56 HZ PHE 56 20.029 17.322 -11.407
489 H ILE 57 H ILE 57 20.614 16.519 -5.375
490 HA ILE 57 HA ILE 57 20.898 14.227 -3.593
491 HB ILE 57 HB ILE 57 19.557 15.520 -1.832
492 HG12 ILE 57 1HG1 ILE 57 20.858 17.916 -3.116
493 HG13 ILE 57 2HG1 ILE 57 19.194 17.461 -3.468
494 HG21 ILE 57 1HG2 ILE 57 21.692 16.581 -0.937
495 HG22 ILE 57 2HG2 ILE 57 21.740 14.854 -1.285
496 HG23 ILE 57 3HG2 ILE 57 22.463 16.000 -2.413
497 HD11 ILE 57 3HD1 ILE 57 20.355 18.700 -1.071
498 HD12 ILE 57 1HD1 ILE 57 18.751 18.874 -1.783
499 HD13 ILE 57 2HD1 ILE 57 19.124 17.471 -0.781
500 H GLY 58 H GLY 58 19.271 12.880 -3.967
501 HA2 GLY 58 1HA GLY 58 17.260 12.067 -4.730
502 HA3 GLY 58 2HA GLY 58 16.576 13.443 -3.878
503 H ASP 59 H ASP 59 18.656 13.363 -6.751
504 HA ASP 59 HA ASP 59 18.350 14.124 -8.874
505 HB2 ASP 59 1HB ASP 59 15.376 14.149 -8.528
506 HB3 ASP 59 2HB ASP 59 16.333 13.696 -9.936
507 H TYR 60 H TYR 60 18.450 15.933 -6.550
508 HA TYR 60 HA TYR 60 17.386 18.313 -7.893
509 HB2 TYR 60 1HB TYR 60 15.752 18.001 -6.222
510 HB3 TYR 60 2HB TYR 60 16.946 17.518 -5.023
511 HD1 TYR 60 HD1 TYR 60 15.417 20.358 -6.772
512 HD2 TYR 60 HD2 TYR 60 18.219 19.170 -3.799
513 HE1 TYR 60 HE1 TYR 60 15.511 22.672 -5.944
514 HE2 TYR 60 HE2 TYR 60 18.320 21.481 -2.962
515 HH TYR 60 HH TYR 60 17.793 23.921 -4.232
516 H HIS 61 H HIS 61 19.152 19.417 -8.424
517 HA HIS 61 HA HIS 61 21.635 19.212 -7.081
518 HB2 HIS 61 1HB HIS 61 22.236 21.229 -8.496
519 HB3 HIS 61 2HB HIS 61 21.686 19.809 -9.382
520 HD1 HIS 61 HD1 HIS 61 19.355 19.956 -10.524
521 HD2 HIS 61 HD2 HIS 61 20.596 23.470 -8.689
522 HE1 HIS 61 HE1 HIS 61 17.812 21.745 -11.386
523 H VAL 62 H VAL 62 22.659 20.578 -5.656
524 HA VAL 62 HA VAL 62 20.906 22.489 -4.271
525 HB VAL 62 HB VAL 62 23.401 21.092 -3.300
526 HG11 VAL 62 1HG1 VAL 62 23.387 23.216 -2.263
527 HG12 VAL 62 2HG1 VAL 62 21.643 23.157 -1.998
528 HG13 VAL 62 3HG1 VAL 62 22.712 22.093 -1.082
529 HG21 VAL 62 3HG2 VAL 62 22.085 19.524 -2.401
530 HG22 VAL 62 1HG2 VAL 62 20.923 20.716 -1.818
531 HG23 VAL 62 2HG2 VAL 62 20.828 20.129 -3.478
532 H GLY 63 H GLY 63 24.437 22.172 -4.680
533 HA2 GLY 63 1HA GLY 63 25.217 24.118 -6.265
534 HA3 GLY 63 2HA GLY 63 24.607 25.084 -4.930
535 H GLY 64 H GLY 64 25.627 24.853 -2.841
536 HA2 GLY 64 1HA GLY 64 28.475 24.176 -3.138
537 HA3 GLY 64 2HA GLY 64 27.810 25.289 -1.952
538 H CYS 65 H CYS 65 29.547 23.481 -1.034
539 HA CYS 65 HA CYS 65 28.340 21.034 -0.205
540 HB2 CYS 65 1HB CYS 65 30.740 21.145 -0.407
541 HB3 CYS 65 2HB CYS 65 30.822 22.478 0.737
542 HG CYS 65 HG CYS 65 31.722 20.611 2.361
543 H ASP 66 H ASP 66 29.378 23.874 1.691
544 HA ASP 66 HA ASP 66 28.185 23.163 4.090
545 HB2 ASP 66 1HB ASP 66 28.283 25.560 4.668
546 HB3 ASP 66 2HB ASP 66 29.776 25.006 3.914
547 H ASP 67 H ASP 67 26.757 24.411 1.196
548 HA ASP 67 HA ASP 67 24.426 25.577 2.107
549 HB2 ASP 67 1HB ASP 67 24.825 23.843 -0.340
550 HB3 ASP 67 2HB ASP 67 23.422 24.870 -0.059
551 H LEU 68 H LEU 68 25.032 22.137 1.451
552 HA LEU 68 HA LEU 68 22.471 21.193 2.066
553 HB2 LEU 68 1HB LEU 68 23.395 19.049 2.087
554 HB3 LEU 68 2HB LEU 68 24.403 19.962 0.966
555 HG LEU 68 HG LEU 68 25.880 20.277 3.153
556 HD11 LEU 68 1HD1 LEU 68 25.761 17.788 4.123
557 HD12 LEU 68 2HD1 LEU 68 24.054 18.035 3.754
558 HD13 LEU 68 3HD1 LEU 68 24.890 19.144 4.840
559 HD21 LEU 68 3HD2 LEU 68 26.559 17.692 2.270
560 HD22 LEU 68 1HD2 LEU 68 27.249 19.232 1.757
561 HD23 LEU 68 2HD2 LEU 68 25.883 18.542 0.880
562 H TYR 69 H TYR 69 25.261 21.835 4.121
563 HA TYR 69 HA TYR 69 24.201 20.679 6.479
564 HB2 TYR 69 1HB TYR 69 26.576 22.095 5.706
565 HB3 TYR 69 2HB TYR 69 25.950 22.782 7.201
566 HD1 TYR 69 HD2 TYR 69 27.110 19.649 5.612
567 HD2 TYR 69 HD1 TYR 69 26.148 21.621 9.257
568 HE1 TYR 69 HE2 TYR 69 28.102 17.785 6.875
569 HE2 TYR 69 HE1 TYR 69 27.137 19.764 10.530
570 HH TYR 69 HH TYR 69 28.133 17.786 10.429
571 H ALA 70 H ALA 70 24.437 24.078 5.430
572 HA ALA 70 HA ALA 70 23.123 25.260 7.562
573 HB1 ALA 70 1HB ALA 70 23.358 27.141 6.382
574 HB2 ALA 70 2HB ALA 70 24.187 26.138 5.191
575 HB3 ALA 70 3HB ALA 70 22.470 26.493 5.003
576 H LEU 71 H LEU 71 21.742 23.985 4.546
577 HA LEU 71 HA LEU 71 19.076 24.687 5.052
578 HB2 LEU 71 1HB LEU 71 20.470 22.756 3.291
579 HB3 LEU 71 2HB LEU 71 18.749 22.494 3.564
580 HG LEU 71 HG LEU 71 19.977 25.011 2.440
581 HD11 LEU 71 1HD1 LEU 71 20.202 23.464 0.731
582 HD12 LEU 71 2HD1 LEU 71 18.627 24.184 0.399
583 HD13 LEU 71 3HD1 LEU 71 18.728 22.604 1.177
584 HD21 LEU 71 3HD2 LEU 71 17.263 24.896 1.850
585 HD22 LEU 71 1HD2 LEU 71 18.049 25.954 3.022
586 HD23 LEU 71 2HD2 LEU 71 17.374 24.410 3.543
587 H GLU 72 H GLU 72 20.792 21.627 5.664
588 HA GLU 72 HA GLU 72 18.671 20.213 6.782
589 HB2 GLU 72 1HB GLU 72 20.207 18.606 7.096
590 HB3 GLU 72 2HB GLU 72 21.323 19.701 6.291
591 HG2 GLU 72 1HG GLU 72 21.898 20.628 8.543
592 HG3 GLU 72 2HG GLU 72 20.940 19.327 9.248
593 H ASN 73 H ASN 73 20.745 22.657 8.161
594 HA ASN 73 HA ASN 73 19.825 22.170 10.863
595 HB2 ASN 73 1HB ASN 73 22.088 22.890 10.691
596 HB3 ASN 73 2HB ASN 73 21.654 24.235 9.641
597 HD21 ASN 73 2HD2 ASN 73 21.775 23.056 12.889
598 HD22 ASN 73 1HD2 ASN 73 21.421 24.556 13.669
599 H LYS 74 H LYS 74 19.014 24.190 8.174
600 HA LYS 74 HA LYS 74 17.528 26.124 9.695
601 HB2 LYS 74 1HB LYS 74 17.843 25.540 6.764
602 HB3 LYS 74 2HB LYS 74 16.630 26.682 7.328
603 HG2 LYS 74 1HG LYS 74 19.581 26.882 7.895
604 HG3 LYS 74 2HG LYS 74 18.725 27.766 6.629
605 HD2 LYS 74 1HD LYS 74 18.184 27.953 9.593
606 HD3 LYS 74 2HD LYS 74 19.048 29.148 8.623
607 HE2 LYS 74 1HE LYS 74 16.152 28.347 8.394
608 HE3 LYS 74 2HE LYS 74 16.793 29.902 8.922
609 HZ1 LYS 74 3HZ LYS 74 17.902 29.659 6.499
610 HZ2 LYS 74 1HZ LYS 74 16.446 30.467 6.796
611 HZ3 LYS 74 2HZ LYS 74 16.428 28.868 6.245
612 H GLY 75 H GLY 75 16.908 23.012 8.358
613 HA2 GLY 75 1HA GLY 75 14.838 22.046 9.482
614 HA3 GLY 75 2HA GLY 75 14.007 23.398 8.730
615 H LYS 76 H LYS 76 16.350 22.558 6.612
616 HA LYS 76 HA LYS 76 14.459 21.165 4.914
617 HB2 LYS 76 1HB LYS 76 16.929 22.691 4.549
618 HB3 LYS 76 2HB LYS 76 16.840 21.263 3.527
619 HG2 LYS 76 1HG LYS 76 15.965 23.201 2.370
620 HG3 LYS 76 2HG LYS 76 14.683 22.022 2.658
621 HD2 LYS 76 1HD LYS 76 13.652 23.336 4.252
622 HD3 LYS 76 2HD LYS 76 15.133 24.216 4.635
623 HE2 LYS 76 1HE LYS 76 14.918 25.071 2.179
624 HE3 LYS 76 2HE LYS 76 13.232 24.592 2.359
625 HZ1 LYS 76 3HZ LYS 76 12.842 26.445 3.477
626 HZ2 LYS 76 1HZ LYS 76 14.445 26.935 3.244
627 HZ3 LYS 76 2HZ LYS 76 14.022 26.056 4.625
628 H LEU 77 H LEU 77 16.254 20.101 7.327
629 HA LEU 77 HA LEU 77 17.878 18.058 6.364
630 HB2 LEU 77 1HB LEU 77 18.047 18.580 8.642
631 HB3 LEU 77 2HB LEU 77 16.314 18.389 8.901
632 HG LEU 77 HG LEU 77 17.483 15.902 8.036
633 HD11 LEU 77 1HD1 LEU 77 19.545 16.681 8.993
634 HD12 LEU 77 2HD1 LEU 77 18.825 15.491 10.076
635 HD13 LEU 77 3HD1 LEU 77 18.714 17.209 10.457
636 HD21 LEU 77 3HD2 LEU 77 16.549 15.250 10.333
637 HD22 LEU 77 1HD2 LEU 77 15.414 15.839 9.118
638 HD23 LEU 77 2HD2 LEU 77 15.953 16.909 10.413
639 H ASP 78 H ASP 78 14.406 18.101 6.987
640 HA ASP 78 HA ASP 78 13.826 15.404 6.730
641 HB2 ASP 78 1HB ASP 78 12.155 17.735 5.764
642 HB3 ASP 78 2HB ASP 78 11.565 16.104 6.070
643 H SER 79 H SER 79 13.946 17.873 4.170
644 HA SER 79 HA SER 79 13.370 16.102 2.047
645 HB2 SER 79 1HB SER 79 13.086 18.502 1.779
646 HB3 SER 79 2HB SER 79 14.810 18.766 2.039
647 HG SER 79 HG SER 79 14.696 18.711 -0.105
648 H LEU 80 H LEU 80 16.458 17.448 3.202
649 HA LEU 80 HA LEU 80 18.153 16.200 1.397
650 HB2 LEU 80 1HB LEU 80 18.420 17.323 4.116
651 HB3 LEU 80 2HB LEU 80 19.696 16.222 3.598
652 HG LEU 80 HG LEU 80 20.133 18.683 3.250
653 HD11 LEU 80 1HD1 LEU 80 20.875 18.268 0.806
654 HD12 LEU 80 2HD1 LEU 80 20.288 16.629 1.082
655 HD13 LEU 80 3HD1 LEU 80 21.572 17.287 2.095
656 HD21 LEU 80 3HD2 LEU 80 18.423 18.505 0.815
657 HD22 LEU 80 1HD2 LEU 80 18.983 19.924 1.701
658 HD23 LEU 80 2HD2 LEU 80 17.680 18.933 2.357
659 H LEU 81 H LEU 81 16.867 14.995 4.466
660 HA LEU 81 HA LEU 81 18.334 12.583 4.509
661 HB2 LEU 81 1HB LEU 81 16.089 13.763 5.963
662 HB3 LEU 81 2HB LEU 81 16.014 12.006 5.848
663 HG LEU 81 HG LEU 81 17.078 12.849 7.930
664 HD11 LEU 81 1HD1 LEU 81 18.188 10.929 7.986
665 HD12 LEU 81 2HD1 LEU 81 19.359 11.501 6.799
666 HD13 LEU 81 3HD1 LEU 81 17.854 10.755 6.263
667 HD21 LEU 81 3HD2 LEU 81 18.298 14.677 6.366
668 HD22 LEU 81 1HD2 LEU 81 19.583 13.479 6.517
669 HD23 LEU 81 2HD2 LEU 81 18.879 14.203 7.963
670 H GLN 82 H GLN 82 15.055 13.340 3.367
671 HA GLN 82 HA GLN 82 14.446 10.706 2.527
672 HB2 GLN 82 1HB GLN 82 12.777 12.528 2.977
673 HB3 GLN 82 2HB GLN 82 13.268 13.275 1.462
674 HG2 GLN 82 1HG GLN 82 11.189 11.904 1.341
675 HG3 GLN 82 2HG GLN 82 12.448 11.450 0.194
676 HE21 GLN 82 2HE2 GLN 82 13.587 9.523 0.509
677 HE22 GLN 82 1HE2 GLN 82 12.979 8.264 1.525
678 H ASP 83 H ASP 83 16.316 13.233 1.142
679 HA ASP 83 HA ASP 83 16.143 12.234 -1.566
680 HB2 ASP 83 1HB ASP 83 17.583 14.480 -0.211
681 HB3 ASP 83 2HB ASP 83 18.144 13.935 -1.789
682 H VAL 84 H VAL 84 18.403 12.100 1.130
683 HA VAL 84 HA VAL 84 20.408 10.693 -0.403
684 HB VAL 84 HB VAL 84 21.649 10.542 1.697
685 HG11 VAL 84 1HG1 VAL 84 20.492 13.175 0.877
686 HG12 VAL 84 2HG1 VAL 84 21.628 13.083 2.224
687 HG13 VAL 84 3HG1 VAL 84 22.115 12.537 0.619
688 HG21 VAL 84 3HG2 VAL 84 20.721 11.618 3.738
689 HG22 VAL 84 1HG2 VAL 84 19.165 11.738 2.916
690 HG23 VAL 84 2HG2 VAL 84 19.863 10.155 3.258
691 H HIS 85 H HIS 85 17.745 9.910 1.681
692 HA HIS 85 HA HIS 85 18.588 7.199 2.169
693 HB2 HIS 85 1HB HIS 85 17.110 8.607 3.701
694 HB3 HIS 85 2HB HIS 85 15.808 8.305 2.554
695 HD1 HIS 85 HD1 HIS 85 14.475 6.256 2.964
696 HD2 HIS 85 HD2 HIS 85 18.201 6.079 4.795
697 HE1 HIS 85 HE1 HIS 85 14.466 4.127 4.303
Start of MODEL 5
1 H1 GLY -3 H GLY -3 2.763 2.879 4.036
2 HA2 GLY -3 1HA GLY -3 1.841 4.713 5.577
3 HA3 GLY -3 2HA GLY -3 3.278 4.367 6.527
4 HA PRO -2 HA PRO -2 4.077 7.674 3.246
5 HB2 PRO -2 1HB PRO -2 4.496 9.743 4.953
6 HB3 PRO -2 2HB PRO -2 2.903 9.344 4.300
7 HG2 PRO -2 1HG PRO -2 4.079 8.667 6.968
8 HG3 PRO -2 2HG PRO -2 2.445 9.236 6.577
9 HD2 PRO -2 1HD PRO -2 3.004 6.631 7.062
10 HD3 PRO -2 2HD PRO -2 1.735 7.141 5.930
11 H GLY -1 H GLY -1 6.068 6.959 2.653
12 HA2 GLY -1 1HA GLY -1 8.372 8.093 3.765
13 HA3 GLY -1 2HA GLY -1 8.217 6.465 4.410
14 H SER 0 H SER 0 9.935 8.030 2.284
15 HA SER 0 HA SER 0 10.082 5.743 0.458
16 HB2 SER 0 1HB SER 0 10.306 7.228 -1.487
17 HB3 SER 0 2HB SER 0 8.750 7.465 -0.692
18 HG SER 0 HG SER 0 9.306 9.479 -0.574
19 H MET 1 H MET 1 12.121 5.877 -0.910
20 HA MET 1 HA MET 1 14.301 7.201 0.550
21 HB2 MET 1 1HB MET 1 15.689 5.191 0.313
22 HB3 MET 1 2HB MET 1 14.250 4.868 1.270
23 HG2 MET 1 1HG MET 1 13.314 4.156 -1.116
24 HG3 MET 1 2HG MET 1 15.027 3.857 -1.395
25 HE1 MET 1 3HE MET 1 11.932 3.202 0.637
26 HE2 MET 1 1HE MET 1 12.244 1.714 1.533
27 HE3 MET 1 2HE MET 1 12.923 3.241 2.096
28 H LYS 2 H LYS 2 15.757 8.198 -0.710
29 HA LYS 2 HA LYS 2 15.674 7.648 -3.605
30 HB2 LYS 2 1HB LYS 2 15.817 10.252 -2.115
31 HB3 LYS 2 2HB LYS 2 16.443 10.124 -3.754
32 HG2 LYS 2 1HG LYS 2 14.152 9.201 -4.378
33 HG3 LYS 2 2HG LYS 2 13.620 9.791 -2.802
34 HD2 LYS 2 1HD LYS 2 13.217 11.721 -3.867
35 HD3 LYS 2 2HD LYS 2 14.966 11.952 -3.809
36 HE2 LYS 2 1HE LYS 2 15.241 11.458 -6.015
37 HE3 LYS 2 2HE LYS 2 13.879 10.339 -6.046
38 HZ1 LYS 2 3HZ LYS 2 12.829 11.982 -7.102
39 HZ2 LYS 2 1HZ LYS 2 13.951 13.155 -6.626
40 HZ3 LYS 2 2HZ LYS 2 12.690 12.720 -5.586
41 H GLU 3 H GLU 3 17.744 8.763 -4.642
42 HA GLU 3 HA GLU 3 20.050 7.790 -3.088
43 HB2 GLU 3 1HB GLU 3 21.127 7.208 -5.142
44 HB3 GLU 3 2HB GLU 3 19.500 6.545 -5.194
45 HG2 GLU 3 1HG GLU 3 18.907 8.722 -6.451
46 HG3 GLU 3 2HG GLU 3 20.646 8.850 -6.708
47 H ILE 4 H ILE 4 21.954 8.993 -3.064
48 HA ILE 4 HA ILE 4 21.634 11.801 -3.896
49 HB ILE 4 HB ILE 4 21.873 11.346 -1.432
50 HG12 ILE 4 1HG1 ILE 4 22.620 13.466 -2.787
51 HG13 ILE 4 2HG1 ILE 4 23.052 13.310 -1.087
52 HG21 ILE 4 1HG2 ILE 4 23.438 9.512 -1.510
53 HG22 ILE 4 2HG2 ILE 4 24.653 10.538 -2.270
54 HG23 ILE 4 3HG2 ILE 4 24.151 10.849 -0.608
55 HD11 ILE 4 3HD1 ILE 4 24.804 14.002 -2.944
56 HD12 ILE 4 1HD1 ILE 4 25.257 13.045 -1.533
57 HD13 ILE 4 2HD1 ILE 4 24.965 12.252 -3.081
58 H ILE 5 H ILE 5 23.159 12.763 -5.140
59 HA ILE 5 HA ILE 5 25.569 11.214 -5.808
60 HB ILE 5 HB ILE 5 24.115 12.815 -7.892
61 HG12 ILE 5 1HG1 ILE 5 23.740 9.880 -7.259
62 HG13 ILE 5 2HG1 ILE 5 22.527 11.143 -7.080
63 HG21 ILE 5 1HG2 ILE 5 26.598 11.751 -7.885
64 HG22 ILE 5 2HG2 ILE 5 25.674 10.414 -8.569
65 HG23 ILE 5 3HG2 ILE 5 25.634 11.999 -9.341
66 HD11 ILE 5 3HD1 ILE 5 23.218 11.413 -9.695
67 HD12 ILE 5 1HD1 ILE 5 23.382 9.674 -9.454
68 HD13 ILE 5 2HD1 ILE 5 21.850 10.473 -9.097
69 H LEU 6 H LEU 6 27.384 12.344 -5.592
70 HA LEU 6 HA LEU 6 27.190 15.271 -5.404
71 HB2 LEU 6 1HB LEU 6 29.350 15.127 -4.203
72 HB3 LEU 6 2HB LEU 6 28.027 14.290 -3.394
73 HG LEU 6 HG LEU 6 29.171 12.275 -4.847
74 HD11 LEU 6 1HD1 LEU 6 31.192 14.364 -4.362
75 HD12 LEU 6 2HD1 LEU 6 31.146 13.082 -5.571
76 HD13 LEU 6 3HD1 LEU 6 31.655 12.720 -3.922
77 HD21 LEU 6 3HD2 LEU 6 29.527 13.217 -2.022
78 HD22 LEU 6 1HD2 LEU 6 30.302 11.743 -2.604
79 HD23 LEU 6 2HD2 LEU 6 28.544 11.887 -2.635
80 H TYR 7 H TYR 7 28.114 16.501 -6.908
81 HA TYR 7 HA TYR 7 29.861 15.199 -8.879
82 HB2 TYR 7 1HB TYR 7 28.170 17.697 -9.043
83 HB3 TYR 7 2HB TYR 7 29.305 17.210 -10.297
84 HD1 TYR 7 HD2 TYR 7 28.855 15.256 -11.691
85 HD2 TYR 7 HD1 TYR 7 26.085 16.513 -8.717
86 HE1 TYR 7 HE2 TYR 7 27.124 13.841 -12.714
87 HE2 TYR 7 HE1 TYR 7 24.346 15.100 -9.731
88 HH TYR 7 HH TYR 7 24.186 14.097 -12.520
89 H THR 8 H THR 8 31.957 15.518 -8.596
90 HA THR 8 HA THR 8 33.159 18.047 -8.503
91 HB THR 8 HB THR 8 34.140 17.267 -6.025
92 HG1 THR 8 HG1 THR 8 32.342 15.881 -5.737
93 HG21 THR 8 3HG2 THR 8 32.372 19.409 -7.068
94 HG22 THR 8 1HG2 THR 8 33.929 19.525 -6.249
95 HG23 THR 8 2HG2 THR 8 32.462 19.219 -5.318
96 H ARG 9 H ARG 9 35.565 17.732 -7.542
97 HA ARG 9 HA ARG 9 36.652 15.546 -9.102
98 HB2 ARG 9 1HB ARG 9 38.860 16.609 -8.437
99 HB3 ARG 9 2HB ARG 9 37.781 17.602 -9.408
100 HG2 ARG 9 1HG ARG 9 37.386 17.948 -6.544
101 HG3 ARG 9 2HG ARG 9 39.013 18.364 -7.084
102 HD2 ARG 9 1HD ARG 9 36.550 19.375 -8.477
103 HD3 ARG 9 2HD ARG 9 37.266 20.220 -7.105
104 HE ARG 9 HE ARG 9 39.145 19.644 -9.196
105 HH11 ARG 9 1HH1 ARG 9 36.719 21.876 -8.076
106 HH12 ARG 9 2HH1 ARG 9 37.366 23.223 -8.953
107 HH21 ARG 9 1HH2 ARG 9 40.007 21.410 -10.355
108 HH22 ARG 9 2HH2 ARG 9 39.236 22.956 -10.250
109 HA PRO 10 HA PRO 10 37.576 12.770 -5.833
110 HB2 PRO 10 1HB PRO 10 39.986 11.781 -6.596
111 HB3 PRO 10 2HB PRO 10 38.476 11.369 -7.416
112 HG2 PRO 10 1HG PRO 10 40.566 13.368 -8.187
113 HG3 PRO 10 2HG PRO 10 39.694 12.210 -9.209
114 HD2 PRO 10 1HD PRO 10 39.017 14.828 -9.071
115 HD3 PRO 10 2HD PRO 10 37.820 13.545 -9.341
116 H ASN 11 H ASN 11 39.378 15.570 -6.301
117 HA ASN 11 HA ASN 11 40.833 15.136 -3.776
118 HB2 ASN 11 1HB ASN 11 41.692 16.855 -6.115
119 HB3 ASN 11 2HB ASN 11 42.572 16.661 -4.602
120 HD21 ASN 11 2HD2 ASN 11 42.309 15.623 -7.727
121 HD22 ASN 11 1HD2 ASN 11 43.163 14.126 -7.597
122 H CYS 12 H CYS 12 38.474 15.959 -3.241
123 HA CYS 12 HA CYS 12 38.624 18.893 -2.995
124 HB2 CYS 12 1HB CYS 12 36.120 18.838 -2.868
125 HB3 CYS 12 2HB CYS 12 36.775 18.356 -4.429
126 HA PRO 13 HA PRO 13 38.940 17.676 1.323
127 HB2 PRO 13 1HB PRO 13 39.599 20.157 2.207
128 HB3 PRO 13 2HB PRO 13 40.766 19.064 1.452
129 HG2 PRO 13 1HG PRO 13 39.269 21.362 0.251
130 HG3 PRO 13 2HG PRO 13 40.972 20.909 0.052
131 HD2 PRO 13 1HD PRO 13 39.084 20.327 -1.800
132 HD3 PRO 13 2HD PRO 13 40.488 19.280 -1.506
133 H TYR 14 H TYR 14 36.760 19.707 -0.281
134 HA TYR 14 HA TYR 14 35.343 20.548 2.111
135 HB2 TYR 14 1HB TYR 14 35.176 21.153 -0.793
136 HB3 TYR 14 2HB TYR 14 33.687 21.292 0.136
137 HD1 TYR 14 HD2 TYR 14 34.366 22.444 2.624
138 HD2 TYR 14 HD1 TYR 14 36.118 23.217 -1.175
139 HE1 TYR 14 HE2 TYR 14 35.057 24.673 3.402
140 HE2 TYR 14 HE1 TYR 14 36.814 25.448 -0.407
141 HH TYR 14 HH TYR 14 37.243 26.638 1.641
142 H CYS 15 H CYS 15 35.035 18.207 -0.485
143 HA CYS 15 HA CYS 15 32.395 17.414 -0.146
144 HB2 CYS 15 1HB CYS 15 34.758 15.662 -0.857
145 HB3 CYS 15 2HB CYS 15 33.065 15.285 -1.161
146 H LYS 16 H LYS 16 35.145 16.874 1.869
147 HA LYS 16 HA LYS 16 34.543 14.573 3.238
148 HB2 LYS 16 1HB LYS 16 35.617 17.155 4.388
149 HB3 LYS 16 2HB LYS 16 35.699 15.586 5.180
150 HG2 LYS 16 1HG LYS 16 37.040 14.754 3.261
151 HG3 LYS 16 2HG LYS 16 37.055 16.397 2.618
152 HD2 LYS 16 1HD LYS 16 39.041 16.367 3.774
153 HD3 LYS 16 2HD LYS 16 37.949 16.992 5.012
154 HE2 LYS 16 1HE LYS 16 39.055 15.354 6.185
155 HE3 LYS 16 2HE LYS 16 37.651 14.462 5.601
156 HZ1 LYS 16 3HZ LYS 16 39.175 13.882 3.634
157 HZ2 LYS 16 1HZ LYS 16 39.410 13.073 5.101
158 HZ3 LYS 16 2HZ LYS 16 40.440 14.339 4.659
159 H ARG 17 H ARG 17 33.120 17.773 3.641
160 HA ARG 17 HA ARG 17 31.636 17.205 5.974
161 HB2 ARG 17 1HB ARG 17 31.479 19.287 3.829
162 HB3 ARG 17 2HB ARG 17 30.165 19.145 4.989
163 HG2 ARG 17 1HG ARG 17 31.384 20.600 6.177
164 HG3 ARG 17 2HG ARG 17 32.293 19.164 6.653
165 HD2 ARG 17 1HD ARG 17 34.010 20.501 5.956
166 HD3 ARG 17 2HD ARG 17 33.622 19.692 4.439
167 HE ARG 17 HE ARG 17 32.860 21.690 3.596
168 HH11 ARG 17 1HH1 ARG 17 33.322 21.970 7.036
169 HH12 ARG 17 2HH1 ARG 17 33.104 23.688 7.056
170 HH21 ARG 17 1HH2 ARG 17 32.571 23.952 3.611
171 HH22 ARG 17 2HH2 ARG 17 32.676 24.815 5.108
172 H ALA 18 H ALA 18 30.632 17.298 2.554
173 HA ALA 18 HA ALA 18 28.002 16.447 2.931
174 HB1 ALA 18 1HB ALA 18 29.804 16.019 0.552
175 HB2 ALA 18 2HB ALA 18 28.052 15.811 0.554
176 HB3 ALA 18 3HB ALA 18 28.752 17.405 0.837
177 H ARG 19 H ARG 19 30.845 14.499 2.006
178 HA ARG 19 HA ARG 19 29.567 12.014 2.024
179 HB2 ARG 19 1HB ARG 19 31.732 11.041 1.992
180 HB3 ARG 19 2HB ARG 19 31.863 12.556 1.110
181 HG2 ARG 19 1HG ARG 19 32.825 13.622 3.094
182 HG3 ARG 19 2HG ARG 19 32.714 12.087 3.959
183 HD2 ARG 19 1HD ARG 19 34.971 12.479 3.090
184 HD3 ARG 19 2HD ARG 19 34.228 11.055 2.362
185 HE ARG 19 HE ARG 19 33.805 13.382 0.779
186 HH11 ARG 19 1HH1 ARG 19 36.173 10.968 1.606
187 HH12 ARG 19 2HH1 ARG 19 37.031 11.109 0.107
188 HH21 ARG 19 1HH2 ARG 19 34.926 13.577 -1.198
189 HH22 ARG 19 2HH2 ARG 19 36.321 12.594 -1.486
190 H ASP 20 H ASP 20 30.965 13.906 4.622
191 HA ASP 20 HA ASP 20 31.025 11.896 6.596
192 HB2 ASP 20 1HB ASP 20 32.255 13.900 6.994
193 HB3 ASP 20 2HB ASP 20 30.823 14.902 6.776
194 H LEU 21 H LEU 21 28.568 14.355 5.840
195 HA LEU 21 HA LEU 21 26.738 13.618 7.836
196 HB2 LEU 21 1HB LEU 21 26.800 15.700 6.323
197 HB3 LEU 21 2HB LEU 21 25.914 14.708 5.167
198 HG LEU 21 HG LEU 21 24.835 14.953 7.931
199 HD11 LEU 21 1HD1 LEU 21 25.344 17.209 6.206
200 HD12 LEU 21 2HD1 LEU 21 24.713 17.168 7.852
201 HD13 LEU 21 3HD1 LEU 21 23.616 16.990 6.483
202 HD21 LEU 21 3HD2 LEU 21 23.959 13.594 5.847
203 HD22 LEU 21 1HD2 LEU 21 23.257 15.155 5.418
204 HD23 LEU 21 2HD2 LEU 21 22.845 14.395 6.956
205 H LEU 22 H LEU 22 26.790 12.764 4.375
206 HA LEU 22 HA LEU 22 24.588 11.096 4.319
207 HB2 LEU 22 1HB LEU 22 27.128 11.200 2.756
208 HB3 LEU 22 2HB LEU 22 26.010 9.862 2.501
209 HG LEU 22 HG LEU 22 24.492 11.158 1.416
210 HD11 LEU 22 1HD1 LEU 22 25.461 13.485 3.064
211 HD12 LEU 22 2HD1 LEU 22 23.938 12.613 3.232
212 HD13 LEU 22 3HD1 LEU 22 24.234 13.604 1.803
213 HD21 LEU 22 3HD2 LEU 22 25.899 11.678 -0.226
214 HD22 LEU 22 1HD2 LEU 22 27.217 11.977 0.906
215 HD23 LEU 22 2HD2 LEU 22 26.072 13.264 0.527
216 H ASP 23 H ASP 23 27.984 10.075 4.725
217 HA ASP 23 HA ASP 23 27.440 7.387 5.276
218 HB2 ASP 23 1HB ASP 23 29.689 8.466 4.730
219 HB3 ASP 23 2HB ASP 23 29.771 8.912 6.432
220 H LYS 24 H LYS 24 27.670 10.186 7.410
221 HA LYS 24 HA LYS 24 27.643 8.905 9.875
222 HB2 LYS 24 1HB LYS 24 28.028 11.288 9.696
223 HB3 LYS 24 2HB LYS 24 26.407 11.540 9.061
224 HG2 LYS 24 1HG LYS 24 26.590 12.197 11.408
225 HG3 LYS 24 2HG LYS 24 25.441 10.876 11.181
226 HD2 LYS 24 1HD LYS 24 26.977 9.279 12.033
227 HD3 LYS 24 2HD LYS 24 28.312 10.432 11.974
228 HE2 LYS 24 1HE LYS 24 25.876 10.820 13.699
229 HE3 LYS 24 2HE LYS 24 27.326 9.989 14.258
230 HZ1 LYS 24 3HZ LYS 24 27.196 12.794 13.290
231 HZ2 LYS 24 1HZ LYS 24 28.599 11.999 13.799
232 HZ3 LYS 24 2HZ LYS 24 27.355 12.307 14.903
233 H LYS 25 H LYS 25 24.948 9.797 7.766
234 HA LYS 25 HA LYS 25 22.948 8.858 9.600
235 HB2 LYS 25 1HB LYS 25 22.737 9.528 6.658
236 HB3 LYS 25 2HB LYS 25 21.380 9.258 7.744
237 HG2 LYS 25 1HG LYS 25 23.389 11.494 7.903
238 HG3 LYS 25 2HG LYS 25 21.701 11.619 7.404
239 HD2 LYS 25 1HD LYS 25 21.213 10.600 9.748
240 HD3 LYS 25 2HD LYS 25 22.845 11.153 10.129
241 HE2 LYS 25 1HE LYS 25 21.049 13.089 8.791
242 HE3 LYS 25 2HE LYS 25 20.668 12.675 10.462
243 HZ1 LYS 25 3HZ LYS 25 22.468 13.749 11.226
244 HZ2 LYS 25 1HZ LYS 25 22.397 14.579 9.754
245 HZ3 LYS 25 2HZ LYS 25 23.454 13.272 9.936
246 H GLY 26 H GLY 26 24.726 7.533 6.892
247 HA2 GLY 26 1HA GLY 26 25.094 5.175 6.716
248 HA3 GLY 26 2HA GLY 26 23.541 4.910 7.494
249 H VAL 27 H VAL 27 24.740 6.628 4.604
250 HA VAL 27 HA VAL 27 22.725 5.179 3.025
251 HB VAL 27 HB VAL 27 22.555 7.344 1.641
252 HG11 VAL 27 1HG1 VAL 27 21.340 7.089 4.387
253 HG12 VAL 27 2HG1 VAL 27 20.792 8.239 3.167
254 HG13 VAL 27 3HG1 VAL 27 20.676 6.506 2.861
255 HG21 VAL 27 3HG2 VAL 27 24.455 8.234 3.399
256 HG22 VAL 27 1HG2 VAL 27 23.437 9.261 2.390
257 HG23 VAL 27 2HG2 VAL 27 22.976 8.930 4.060
258 H LYS 28 H LYS 28 23.173 5.512 0.602
259 HA LYS 28 HA LYS 28 26.068 5.201 0.173
260 HB2 LYS 28 1HB LYS 28 23.669 3.930 -1.082
261 HB3 LYS 28 2HB LYS 28 25.145 4.085 -2.026
262 HG2 LYS 28 1HG LYS 28 25.378 1.989 -1.115
263 HG3 LYS 28 2HG LYS 28 26.271 2.982 0.038
264 HD2 LYS 28 1HD LYS 28 24.978 1.713 1.456
265 HD3 LYS 28 2HD LYS 28 23.950 3.132 1.244
266 HE2 LYS 28 1HE LYS 28 22.979 1.748 -0.756
267 HE3 LYS 28 2HE LYS 28 23.649 0.379 0.129
268 HZ1 LYS 28 3HZ LYS 28 21.742 0.417 1.252
269 HZ2 LYS 28 1HZ LYS 28 21.326 1.962 0.701
270 HZ3 LYS 28 2HZ LYS 28 22.341 1.787 2.042
271 H TYR 29 H TYR 29 26.953 6.984 -0.637
272 HA TYR 29 HA TYR 29 25.384 8.664 -2.457
273 HB2 TYR 29 1HB TYR 29 27.034 10.407 -2.007
274 HB3 TYR 29 2HB TYR 29 26.386 9.773 -0.498
275 HD1 TYR 29 HD1 TYR 29 29.321 9.691 -2.753
276 HD2 TYR 29 HD2 TYR 29 27.804 8.776 1.115
277 HE1 TYR 29 HE1 TYR 29 31.608 9.241 -1.969
278 HE2 TYR 29 HE2 TYR 29 30.087 8.324 1.910
279 HH TYR 29 HH TYR 29 32.237 8.239 1.383
280 H THR 30 H THR 30 26.119 9.231 -4.489
281 HA THR 30 HA THR 30 28.203 7.473 -5.580
282 HB THR 30 HB THR 30 26.019 9.017 -6.993
283 HG1 THR 30 HG1 THR 30 25.265 6.856 -7.419
284 HG21 THR 30 3HG2 THR 30 28.095 7.130 -8.113
285 HG22 THR 30 1HG2 THR 30 28.020 8.870 -8.387
286 HG23 THR 30 2HG2 THR 30 26.746 7.823 -9.012
287 H ASP 31 H ASP 31 30.144 8.337 -5.845
288 HA ASP 31 HA ASP 31 30.486 11.213 -5.958
289 HB2 ASP 31 1HB ASP 31 32.053 10.035 -4.583
290 HB3 ASP 31 2HB ASP 31 32.443 8.914 -5.884
291 H ILE 32 H ILE 32 30.350 12.268 -7.816
292 HA ILE 32 HA ILE 32 30.948 10.860 -10.316
293 HB ILE 32 HB ILE 32 29.617 13.544 -9.939
294 HG12 ILE 32 1HG1 ILE 32 28.338 11.597 -9.004
295 HG13 ILE 32 2HG1 ILE 32 27.517 12.436 -10.315
296 HG21 ILE 32 1HG2 ILE 32 28.830 12.675 -12.361
297 HG22 ILE 32 2HG2 ILE 32 30.235 13.707 -12.102
298 HG23 ILE 32 3HG2 ILE 32 30.442 11.966 -12.286
299 HD11 ILE 32 3HD1 ILE 32 27.769 9.767 -10.154
300 HD12 ILE 32 1HD1 ILE 32 27.587 10.650 -11.670
301 HD13 ILE 32 2HD1 ILE 32 29.190 10.160 -11.122
302 H ASP 33 H ASP 33 32.849 11.156 -11.251
303 HA ASP 33 HA ASP 33 34.877 12.792 -10.349
304 HB2 ASP 33 1HB ASP 33 34.861 10.853 -12.119
305 HB3 ASP 33 2HB ASP 33 34.685 12.171 -13.274
306 H ALA 34 H ALA 34 35.642 14.816 -10.848
307 HA ALA 34 HA ALA 34 33.768 16.794 -11.548
308 HB1 ALA 34 1HB ALA 34 36.133 18.069 -11.887
309 HB2 ALA 34 2HB ALA 34 35.359 17.803 -10.324
310 HB3 ALA 34 3HB ALA 34 36.626 16.709 -10.878
311 H SER 35 H SER 35 35.676 14.734 -13.475
312 HA SER 35 HA SER 35 36.290 16.226 -15.709
313 HB2 SER 35 1HB SER 35 36.979 13.892 -15.450
314 HB3 SER 35 2HB SER 35 35.305 13.363 -15.617
315 HG SER 35 HG SER 35 37.086 13.830 -17.535
316 H THR 36 H THR 36 34.914 17.679 -16.547
317 HA THR 36 HA THR 36 32.152 17.580 -16.618
318 HB THR 36 HB THR 36 32.220 19.283 -18.341
319 HG1 THR 36 HG1 THR 36 34.787 18.221 -18.771
320 HG21 THR 36 3HG2 THR 36 33.644 19.414 -15.897
321 HG22 THR 36 1HG2 THR 36 32.881 20.732 -16.785
322 HG23 THR 36 2HG2 THR 36 34.568 20.320 -17.094
323 H SER 37 H SER 37 34.468 16.020 -18.691
324 HA SER 37 HA SER 37 33.021 15.511 -20.974
325 HB2 SER 37 1HB SER 37 35.425 14.833 -20.435
326 HB3 SER 37 2HB SER 37 34.739 13.411 -19.649
327 HG SER 37 HG SER 37 35.051 12.734 -21.676
328 H LEU 38 H LEU 38 32.668 14.087 -17.806
329 HA LEU 38 HA LEU 38 30.444 12.450 -18.833
330 HB2 LEU 38 1HB LEU 38 32.170 11.918 -16.419
331 HB3 LEU 38 2HB LEU 38 30.838 10.912 -16.983
332 HG LEU 38 HG LEU 38 33.221 11.425 -18.729
333 HD11 LEU 38 1HD1 LEU 38 34.293 9.454 -17.855
334 HD12 LEU 38 2HD1 LEU 38 32.980 9.205 -16.705
335 HD13 LEU 38 3HD1 LEU 38 34.038 10.607 -16.545
336 HD21 LEU 38 3HD2 LEU 38 31.774 8.853 -18.649
337 HD22 LEU 38 1HD2 LEU 38 32.399 9.765 -20.023
338 HD23 LEU 38 2HD2 LEU 38 30.876 10.239 -19.271
339 H ARG 39 H ARG 39 31.597 14.522 -16.231
340 HA ARG 39 HA ARG 39 29.313 14.411 -14.597
341 HB2 ARG 39 1HB ARG 39 31.363 15.316 -13.727
342 HB3 ARG 39 2HB ARG 39 31.394 16.567 -14.962
343 HG2 ARG 39 1HG ARG 39 28.985 16.553 -13.290
344 HG3 ARG 39 2HG ARG 39 30.487 16.914 -12.437
345 HD2 ARG 39 1HD ARG 39 29.884 18.284 -15.022
346 HD3 ARG 39 2HD ARG 39 29.103 18.835 -13.540
347 HE ARG 39 HE ARG 39 31.718 18.734 -12.859
348 HH11 ARG 39 1HH1 ARG 39 29.985 20.213 -15.491
349 HH12 ARG 39 2HH1 ARG 39 31.106 21.523 -15.666
350 HH21 ARG 39 1HH2 ARG 39 33.201 20.453 -13.079
351 HH22 ARG 39 2HH2 ARG 39 32.936 21.658 -14.294
352 H GLN 40 H GLN 40 30.237 16.735 -17.128
353 HA GLN 40 HA GLN 40 28.064 18.439 -16.971
354 HB2 GLN 40 1HB GLN 40 30.146 18.661 -18.418
355 HB3 GLN 40 2HB GLN 40 29.339 17.610 -19.575
356 HG2 GLN 40 1HG GLN 40 27.456 19.265 -19.616
357 HG3 GLN 40 2HG GLN 40 28.477 20.340 -18.663
358 HE21 GLN 40 2HE2 GLN 40 28.189 21.777 -20.502
359 HE22 GLN 40 1HE2 GLN 40 29.235 21.612 -21.867
360 H GLU 41 H GLU 41 28.354 15.349 -18.653
361 HA GLU 41 HA GLU 41 25.843 15.482 -19.964
362 HB2 GLU 41 1HB GLU 41 27.208 12.917 -19.191
363 HB3 GLU 41 2HB GLU 41 26.209 13.244 -20.600
364 HG2 GLU 41 1HG GLU 41 29.007 14.210 -20.079
365 HG3 GLU 41 2HG GLU 41 28.473 13.069 -21.312
366 H MET 42 H MET 42 26.908 13.819 -17.003
367 HA MET 42 HA MET 42 24.459 12.674 -16.317
368 HB2 MET 42 1HB MET 42 26.807 13.563 -14.654
369 HB3 MET 42 2HB MET 42 25.399 12.794 -13.935
370 HG2 MET 42 1HG MET 42 26.296 11.253 -16.171
371 HG3 MET 42 2HG MET 42 27.645 11.569 -15.082
372 HE1 MET 42 3HE MET 42 27.346 8.598 -12.985
373 HE2 MET 42 1HE MET 42 27.610 8.637 -14.729
374 HE3 MET 42 2HE MET 42 28.304 9.894 -13.704
375 H VAL 43 H VAL 43 25.863 15.766 -15.238
376 HA VAL 43 HA VAL 43 23.650 16.568 -13.689
377 HB VAL 43 HB VAL 43 25.943 17.561 -13.546
378 HG11 VAL 43 1HG1 VAL 43 26.584 19.309 -15.094
379 HG12 VAL 43 2HG1 VAL 43 26.307 17.804 -15.973
380 HG13 VAL 43 3HG1 VAL 43 25.093 19.084 -16.007
381 HG21 VAL 43 3HG2 VAL 43 24.941 19.183 -12.406
382 HG22 VAL 43 1HG2 VAL 43 24.497 20.005 -13.902
383 HG23 VAL 43 2HG2 VAL 43 23.427 18.783 -13.217
384 H GLN 44 H GLN 44 24.444 16.984 -17.088
385 HA GLN 44 HA GLN 44 22.529 18.913 -17.751
386 HB2 GLN 44 1HB GLN 44 24.120 16.900 -19.225
387 HB3 GLN 44 2HB GLN 44 22.675 17.485 -20.038
388 HG2 GLN 44 1HG GLN 44 23.452 19.750 -19.914
389 HG3 GLN 44 2HG GLN 44 24.832 19.264 -18.931
390 HE21 GLN 44 2HE2 GLN 44 25.198 20.702 -21.220
391 HE22 GLN 44 1HE2 GLN 44 25.952 19.714 -22.420
392 H ARG 45 H ARG 45 22.328 15.363 -17.915
393 HA ARG 45 HA ARG 45 19.528 15.447 -18.602
394 HB2 ARG 45 1HB ARG 45 21.479 13.632 -19.077
395 HB3 ARG 45 2HB ARG 45 20.716 12.906 -17.669
396 HG2 ARG 45 1HG ARG 45 18.512 13.276 -18.976
397 HG3 ARG 45 2HG ARG 45 19.573 13.425 -20.378
398 HD2 ARG 45 1HD ARG 45 20.555 11.186 -19.175
399 HD3 ARG 45 2HD ARG 45 18.835 11.062 -18.807
400 HE ARG 45 HE ARG 45 18.444 10.586 -21.006
401 HH11 ARG 45 1HH1 ARG 45 21.599 12.028 -20.709
402 HH12 ARG 45 2HH1 ARG 45 22.025 11.752 -22.366
403 HH21 ARG 45 1HH2 ARG 45 18.993 10.217 -23.189
404 HH22 ARG 45 2HH2 ARG 45 20.541 10.723 -23.776
405 H ALA 46 H ALA 46 21.316 15.608 -15.746
406 HA ALA 46 HA ALA 46 19.486 14.249 -14.012
407 HB1 ALA 46 1HB ALA 46 21.719 16.190 -13.440
408 HB2 ALA 46 2HB ALA 46 20.794 15.343 -12.200
409 HB3 ALA 46 3HB ALA 46 21.780 14.430 -13.342
410 H ASN 47 H ASN 47 20.071 17.631 -14.891
411 HA ASN 47 HA ASN 47 17.581 18.352 -13.491
412 HB2 ASN 47 1HB ASN 47 18.478 20.382 -12.891
413 HB3 ASN 47 2HB ASN 47 19.946 19.409 -12.915
414 HD21 ASN 47 2HD2 ASN 47 21.138 19.396 -15.000
415 HD22 ASN 47 1HD2 ASN 47 21.218 20.879 -15.883
416 H GLY 48 H GLY 48 19.466 18.763 -16.446
417 HA2 GLY 48 1HA GLY 48 17.770 18.613 -18.407
418 HA3 GLY 48 2HA GLY 48 17.183 20.116 -17.709
419 H ARG 49 H ARG 49 19.709 21.198 -16.978
420 HA ARG 49 HA ARG 49 21.468 21.260 -19.214
421 HB2 ARG 49 1HB ARG 49 19.766 22.521 -20.312
422 HB3 ARG 49 2HB ARG 49 19.491 23.513 -18.887
423 HG2 ARG 49 1HG ARG 49 21.746 24.470 -19.151
424 HG3 ARG 49 2HG ARG 49 21.947 23.523 -20.627
425 HD2 ARG 49 1HD ARG 49 20.143 24.686 -21.692
426 HD3 ARG 49 2HD ARG 49 19.724 25.509 -20.190
427 HE ARG 49 HE ARG 49 22.401 26.068 -20.960
428 HH11 ARG 49 1HH1 ARG 49 19.087 26.862 -21.673
429 HH12 ARG 49 2HH1 ARG 49 19.460 28.440 -22.282
430 HH21 ARG 49 1HH2 ARG 49 22.904 28.144 -21.759
431 HH22 ARG 49 2HH2 ARG 49 21.632 29.168 -22.331
432 H ASN 50 H ASN 50 23.231 21.229 -17.946
433 HA ASN 50 HA ASN 50 23.965 23.604 -16.530
434 HB2 ASN 50 1HB ASN 50 23.065 21.183 -15.034
435 HB3 ASN 50 2HB ASN 50 24.435 22.090 -14.399
436 HD21 ASN 50 2HD2 ASN 50 23.823 24.644 -14.876
437 HD22 ASN 50 1HD2 ASN 50 22.371 25.097 -14.058
438 H THR 51 H THR 51 26.178 23.616 -15.892
439 HA THR 51 HA THR 51 27.807 21.301 -16.560
440 HB THR 51 HB THR 51 27.686 22.394 -18.715
441 HG1 THR 51 HG1 THR 51 29.950 22.836 -18.961
442 HG21 THR 51 3HG2 THR 51 27.542 24.605 -18.968
443 HG22 THR 51 1HG2 THR 51 29.063 24.852 -18.112
444 HG23 THR 51 2HG2 THR 51 27.550 24.756 -17.211
445 H PHE 52 H PHE 52 27.541 22.064 -14.067
446 HA PHE 52 HA PHE 52 30.152 23.138 -13.403
447 HB2 PHE 52 1HB PHE 52 27.576 24.474 -12.590
448 HB3 PHE 52 2HB PHE 52 29.065 24.684 -11.674
449 HD1 PHE 52 HD1 PHE 52 30.963 25.874 -12.642
450 HD2 PHE 52 HD2 PHE 52 27.274 25.500 -14.732
451 HE1 PHE 52 HE1 PHE 52 31.651 27.674 -14.171
452 HE2 PHE 52 HE2 PHE 52 27.956 27.299 -16.265
453 HZ PHE 52 HZ PHE 52 30.148 28.388 -15.986
454 HA PRO 53 HA PRO 53 29.942 20.175 -10.172
455 HB2 PRO 53 1HB PRO 53 31.528 21.330 -8.296
456 HB3 PRO 53 2HB PRO 53 32.162 20.619 -9.784
457 HG2 PRO 53 1HG PRO 53 31.612 23.490 -9.142
458 HG3 PRO 53 2HG PRO 53 33.006 22.777 -9.975
459 HD2 PRO 53 1HD PRO 53 30.973 23.977 -11.302
460 HD3 PRO 53 2HD PRO 53 31.882 22.611 -11.981
461 H GLN 54 H GLN 54 28.816 19.689 -8.326
462 HA GLN 54 HA GLN 54 28.031 21.489 -6.335
463 HB2 GLN 54 1HB GLN 54 25.529 21.489 -6.952
464 HB3 GLN 54 2HB GLN 54 26.587 22.624 -7.779
465 HG2 GLN 54 1HG GLN 54 25.057 21.621 -9.345
466 HG3 GLN 54 2HG GLN 54 26.705 21.103 -9.695
467 HE21 GLN 54 2HE2 GLN 54 24.364 19.975 -7.292
468 HE22 GLN 54 1HE2 GLN 54 24.334 18.335 -7.834
469 H ILE 55 H ILE 55 25.968 20.550 -5.140
470 HA ILE 55 HA ILE 55 26.452 17.664 -4.915
471 HB ILE 55 HB ILE 55 25.172 19.570 -2.953
472 HG12 ILE 55 1HG1 ILE 55 27.301 18.710 -1.644
473 HG13 ILE 55 2HG1 ILE 55 27.916 18.426 -3.269
474 HG21 ILE 55 1HG2 ILE 55 24.137 17.545 -2.501
475 HG22 ILE 55 2HG2 ILE 55 25.567 16.606 -2.924
476 HG23 ILE 55 3HG2 ILE 55 25.528 17.520 -1.417
477 HD11 ILE 55 3HD1 ILE 55 28.287 20.708 -1.976
478 HD12 ILE 55 1HD1 ILE 55 28.105 20.633 -3.728
479 HD13 ILE 55 2HD1 ILE 55 26.730 21.077 -2.716
480 H PHE 56 H PHE 56 25.039 16.412 -5.929
481 HA PHE 56 HA PHE 56 22.315 17.364 -6.382
482 HB2 PHE 56 1HB PHE 56 24.139 15.798 -7.883
483 HB3 PHE 56 2HB PHE 56 22.777 14.758 -7.481
484 HD1 PHE 56 HD1 PHE 56 20.463 15.490 -8.111
485 HD2 PHE 56 HD2 PHE 56 23.960 17.457 -9.531
486 HE1 PHE 56 HE1 PHE 56 19.149 16.509 -9.925
487 HE2 PHE 56 HE2 PHE 56 22.652 18.480 -11.347
488 HZ PHE 56 HZ PHE 56 20.243 18.006 -11.545
489 H ILE 57 H ILE 57 20.526 16.448 -5.510
490 HA ILE 57 HA ILE 57 20.813 14.002 -3.927
491 HB ILE 57 HB ILE 57 19.372 15.091 -2.132
492 HG12 ILE 57 1HG1 ILE 57 20.459 17.624 -3.377
493 HG13 ILE 57 2HG1 ILE 57 18.790 17.087 -3.523
494 HG21 ILE 57 1HG2 ILE 57 21.523 16.437 -1.316
495 HG22 ILE 57 2HG2 ILE 57 21.450 14.675 -1.324
496 HG23 ILE 57 3HG2 ILE 57 22.254 15.530 -2.640
497 HD11 ILE 57 3HD1 ILE 57 20.235 18.170 -1.160
498 HD12 ILE 57 1HD1 ILE 57 18.642 18.580 -1.797
499 HD13 ILE 57 2HD1 ILE 57 18.878 17.070 -0.916
500 H GLY 58 H GLY 58 19.273 12.622 -4.493
501 HA2 GLY 58 1HA GLY 58 17.347 11.796 -5.446
502 HA3 GLY 58 2HA GLY 58 16.559 13.023 -4.465
503 H ASP 59 H ASP 59 18.718 13.387 -7.259
504 HA ASP 59 HA ASP 59 18.415 14.344 -9.302
505 HB2 ASP 59 1HB ASP 59 15.435 14.221 -8.970
506 HB3 ASP 59 2HB ASP 59 16.398 14.030 -10.432
507 H TYR 60 H TYR 60 18.532 15.920 -6.867
508 HA TYR 60 HA TYR 60 17.386 18.393 -7.935
509 HB2 TYR 60 1HB TYR 60 15.755 17.821 -6.307
510 HB3 TYR 60 2HB TYR 60 16.979 17.327 -5.143
511 HD1 TYR 60 HD2 TYR 60 15.304 20.196 -6.710
512 HD2 TYR 60 HD1 TYR 60 18.126 18.951 -3.780
513 HE1 TYR 60 HE2 TYR 60 15.262 22.447 -5.722
514 HE2 TYR 60 HE1 TYR 60 18.091 21.199 -2.783
515 HH TYR 60 HH TYR 60 17.505 23.639 -3.763
516 H HIS 61 H HIS 61 19.208 19.462 -8.403
517 HA HIS 61 HA HIS 61 21.648 19.211 -7.013
518 HB2 HIS 61 1HB HIS 61 22.285 21.295 -8.275
519 HB3 HIS 61 2HB HIS 61 21.693 19.976 -9.280
520 HD1 HIS 61 HD1 HIS 61 19.302 20.271 -10.322
521 HD2 HIS 61 HD2 HIS 61 20.776 23.613 -8.341
522 HE1 HIS 61 HE1 HIS 61 17.830 22.180 -11.037
523 H VAL 62 H VAL 62 22.626 20.470 -5.465
524 HA VAL 62 HA VAL 62 20.833 22.285 -4.001
525 HB VAL 62 HB VAL 62 23.284 20.809 -3.029
526 HG11 VAL 62 1HG1 VAL 62 21.718 21.809 -0.897
527 HG12 VAL 62 2HG1 VAL 62 23.367 22.252 -1.344
528 HG13 VAL 62 3HG1 VAL 62 22.001 23.143 -2.015
529 HG21 VAL 62 3HG2 VAL 62 21.158 19.491 -3.469
530 HG22 VAL 62 1HG2 VAL 62 21.830 19.383 -1.842
531 HG23 VAL 62 2HG2 VAL 62 20.434 20.416 -2.153
532 H GLY 63 H GLY 63 24.373 21.946 -4.306
533 HA2 GLY 63 1HA GLY 63 25.144 24.073 -5.716
534 HA3 GLY 63 2HA GLY 63 24.637 24.844 -4.221
535 H GLY 64 H GLY 64 26.121 25.080 -2.679
536 HA2 GLY 64 1HA GLY 64 28.734 23.869 -3.074
537 HA3 GLY 64 2HA GLY 64 28.325 25.111 -1.900
538 H CYS 65 H CYS 65 29.911 23.214 -0.980
539 HA CYS 65 HA CYS 65 28.648 20.892 0.020
540 HB2 CYS 65 1HB CYS 65 30.626 20.767 1.544
541 HB3 CYS 65 2HB CYS 65 31.049 20.958 -0.153
542 HG CYS 65 HG CYS 65 31.007 23.544 2.088
543 H ASP 66 H ASP 66 29.139 24.120 1.348
544 HA ASP 66 HA ASP 66 28.094 23.471 3.934
545 HB2 ASP 66 1HB ASP 66 28.383 25.751 4.466
546 HB3 ASP 66 2HB ASP 66 29.697 25.380 3.354
547 H ASP 67 H ASP 67 26.756 24.481 0.903
548 HA ASP 67 HA ASP 67 24.377 25.671 1.657
549 HB2 ASP 67 1HB ASP 67 25.442 24.420 -0.720
550 HB3 ASP 67 2HB ASP 67 23.732 24.042 -0.537
551 H LEU 68 H LEU 68 24.911 22.204 1.007
552 HA LEU 68 HA LEU 68 22.376 21.302 1.698
553 HB2 LEU 68 1HB LEU 68 23.281 19.143 1.777
554 HB3 LEU 68 2HB LEU 68 24.262 20.019 0.603
555 HG LEU 68 HG LEU 68 25.800 20.390 2.740
556 HD11 LEU 68 1HD1 LEU 68 25.634 17.855 3.711
557 HD12 LEU 68 2HD1 LEU 68 23.932 18.267 3.503
558 HD13 LEU 68 3HD1 LEU 68 24.969 19.285 4.502
559 HD21 LEU 68 3HD2 LEU 68 26.127 17.680 1.669
560 HD22 LEU 68 1HD2 LEU 68 27.233 19.054 1.647
561 HD23 LEU 68 2HD2 LEU 68 25.947 18.937 0.445
562 H TYR 69 H TYR 69 25.188 21.933 3.729
563 HA TYR 69 HA TYR 69 24.143 20.828 6.111
564 HB2 TYR 69 1HB TYR 69 26.503 22.245 5.300
565 HB3 TYR 69 2HB TYR 69 25.880 22.960 6.783
566 HD1 TYR 69 HD1 TYR 69 26.836 19.694 5.275
567 HD2 TYR 69 HD2 TYR 69 26.309 21.950 8.844
568 HE1 TYR 69 HE1 TYR 69 27.846 17.865 6.573
569 HE2 TYR 69 HE2 TYR 69 27.318 20.127 10.151
570 HH TYR 69 HH TYR 69 29.098 18.111 9.430
571 H ALA 70 H ALA 70 24.329 24.206 4.989
572 HA ALA 70 HA ALA 70 23.043 25.432 7.107
573 HB1 ALA 70 1HB ALA 70 23.148 27.288 5.852
574 HB2 ALA 70 2HB ALA 70 24.060 26.276 4.731
575 HB3 ALA 70 3HB ALA 70 22.333 26.530 4.484
576 H LEU 71 H LEU 71 21.561 24.232 4.094
577 HA LEU 71 HA LEU 71 18.916 24.839 4.716
578 HB2 LEU 71 1HB LEU 71 20.009 22.557 3.078
579 HB3 LEU 71 2HB LEU 71 18.322 23.068 3.093
580 HG LEU 71 HG LEU 71 20.456 25.018 2.327
581 HD11 LEU 71 1HD1 LEU 71 19.177 23.108 0.386
582 HD12 LEU 71 2HD1 LEU 71 20.803 22.899 1.034
583 HD13 LEU 71 3HD1 LEU 71 20.419 24.316 0.058
584 HD21 LEU 71 3HD2 LEU 71 17.847 25.365 2.684
585 HD22 LEU 71 1HD2 LEU 71 17.806 24.793 1.016
586 HD23 LEU 71 2HD2 LEU 71 18.748 26.224 1.434
587 H GLU 72 H GLU 72 20.735 21.842 5.308
588 HA GLU 72 HA GLU 72 18.686 20.342 6.443
589 HB2 GLU 72 1HB GLU 72 20.778 19.307 5.857
590 HB3 GLU 72 2HB GLU 72 21.654 20.319 6.997
591 HG2 GLU 72 1HG GLU 72 20.380 19.237 8.838
592 HG3 GLU 72 2HG GLU 72 19.685 18.141 7.646
593 H ASN 73 H ASN 73 20.759 22.799 7.858
594 HA ASN 73 HA ASN 73 19.791 22.322 10.538
595 HB2 ASN 73 1HB ASN 73 22.119 23.274 9.732
596 HB3 ASN 73 2HB ASN 73 21.262 24.812 9.778
597 HD21 ASN 73 2HD2 ASN 73 21.285 25.859 11.627
598 HD22 ASN 73 1HD2 ASN 73 21.596 25.171 13.181
599 H LYS 74 H LYS 74 18.925 24.266 7.830
600 HA LYS 74 HA LYS 74 17.438 26.225 9.318
601 HB2 LYS 74 1HB LYS 74 17.693 25.559 6.396
602 HB3 LYS 74 2HB LYS 74 16.507 26.727 6.963
603 HG2 LYS 74 1HG LYS 74 19.474 26.913 7.444
604 HG3 LYS 74 2HG LYS 74 18.592 27.770 6.177
605 HD2 LYS 74 1HD LYS 74 18.130 28.043 9.148
606 HD3 LYS 74 2HD LYS 74 18.982 29.202 8.124
607 HE2 LYS 74 1HE LYS 74 16.859 29.360 6.762
608 HE3 LYS 74 2HE LYS 74 16.069 28.446 8.046
609 HZ1 LYS 74 3HZ LYS 74 15.924 30.258 9.297
610 HZ2 LYS 74 1HZ LYS 74 16.400 31.161 7.948
611 HZ3 LYS 74 2HZ LYS 74 17.554 30.652 9.074
612 H GLY 75 H GLY 75 16.841 23.071 8.070
613 HA2 GLY 75 1HA GLY 75 14.774 22.156 9.287
614 HA3 GLY 75 2HA GLY 75 13.937 23.429 8.412
615 H LYS 76 H LYS 76 16.307 22.495 6.387
616 HA LYS 76 HA LYS 76 14.479 20.942 4.774
617 HB2 LYS 76 1HB LYS 76 16.723 22.617 4.293
618 HB3 LYS 76 2HB LYS 76 17.107 21.027 3.649
619 HG2 LYS 76 1HG LYS 76 16.097 22.426 1.949
620 HG3 LYS 76 2HG LYS 76 15.048 21.060 2.334
621 HD2 LYS 76 1HD LYS 76 13.496 22.388 3.414
622 HD3 LYS 76 2HD LYS 76 14.670 23.660 3.758
623 HE2 LYS 76 1HE LYS 76 14.570 24.502 1.586
624 HE3 LYS 76 2HE LYS 76 13.876 23.015 0.941
625 HZ1 LYS 76 3HZ LYS 76 12.545 25.303 1.890
626 HZ2 LYS 76 1HZ LYS 76 12.116 23.988 2.864
627 HZ3 LYS 76 2HZ LYS 76 11.884 23.912 1.191
628 H LEU 77 H LEU 77 16.319 20.116 7.292
629 HA LEU 77 HA LEU 77 17.913 17.982 6.521
630 HB2 LEU 77 1HB LEU 77 18.108 18.680 8.738
631 HB3 LEU 77 2HB LEU 77 16.371 18.579 9.018
632 HG LEU 77 HG LEU 77 17.713 16.024 8.416
633 HD11 LEU 77 1HD1 LEU 77 19.339 17.308 9.868
634 HD12 LEU 77 2HD1 LEU 77 18.775 15.764 10.504
635 HD13 LEU 77 3HD1 LEU 77 18.100 17.271 11.123
636 HD21 LEU 77 3HD2 LEU 77 16.218 16.031 10.819
637 HD22 LEU 77 1HD2 LEU 77 15.788 15.323 9.261
638 HD23 LEU 77 2HD2 LEU 77 15.326 16.984 9.632
639 H ASP 78 H ASP 78 14.454 18.031 7.285
640 HA ASP 78 HA ASP 78 13.913 15.318 7.185
641 HB2 ASP 78 1HB ASP 78 11.615 16.141 6.266
642 HB3 ASP 78 2HB ASP 78 12.117 16.618 7.885
643 H SER 79 H SER 79 14.063 17.651 4.522
644 HA SER 79 HA SER 79 13.324 15.799 2.501
645 HB2 SER 79 1HB SER 79 13.039 18.132 2.043
646 HB3 SER 79 2HB SER 79 14.735 18.470 2.389
647 HG SER 79 HG SER 79 13.835 18.108 0.066
648 H LEU 80 H LEU 80 16.480 17.171 3.426
649 HA LEU 80 HA LEU 80 18.070 15.774 1.638
650 HB2 LEU 80 1HB LEU 80 18.495 17.039 4.283
651 HB3 LEU 80 2HB LEU 80 19.743 15.932 3.711
652 HG LEU 80 HG LEU 80 20.056 18.425 3.251
653 HD11 LEU 80 1HD1 LEU 80 20.367 16.163 1.364
654 HD12 LEU 80 2HD1 LEU 80 21.586 17.192 2.115
655 HD13 LEU 80 3HD1 LEU 80 20.653 17.788 0.742
656 HD21 LEU 80 3HD2 LEU 80 18.813 19.501 1.657
657 HD22 LEU 80 1HD2 LEU 80 17.575 18.476 2.385
658 HD23 LEU 80 2HD2 LEU 80 18.329 18.002 0.862
659 H LEU 81 H LEU 81 17.246 14.866 4.984
660 HA LEU 81 HA LEU 81 18.573 12.406 5.009
661 HB2 LEU 81 1HB LEU 81 16.441 13.694 6.591
662 HB3 LEU 81 2HB LEU 81 16.523 11.936 6.691
663 HG LEU 81 HG LEU 81 17.733 13.145 8.508
664 HD11 LEU 81 1HD1 LEU 81 18.298 10.815 7.467
665 HD12 LEU 81 2HD1 LEU 81 19.385 11.556 8.641
666 HD13 LEU 81 3HD1 LEU 81 19.758 11.640 6.919
667 HD21 LEU 81 3HD2 LEU 81 20.006 13.724 6.729
668 HD22 LEU 81 1HD2 LEU 81 19.405 14.606 8.134
669 HD23 LEU 81 2HD2 LEU 81 18.618 14.802 6.568
670 H GLN 82 H GLN 82 15.117 13.066 4.426
671 HA GLN 82 HA GLN 82 14.370 10.444 3.823
672 HB2 GLN 82 1HB GLN 82 12.789 12.301 4.281
673 HB3 GLN 82 2HB GLN 82 13.176 12.987 2.709
674 HG2 GLN 82 1HG GLN 82 12.139 11.236 1.559
675 HG3 GLN 82 2HG GLN 82 12.112 10.201 2.986
676 HE21 GLN 82 2HE2 GLN 82 11.069 13.525 2.300
677 HE22 GLN 82 1HE2 GLN 82 9.458 13.323 2.890
678 H ASP 83 H ASP 83 16.125 12.754 1.975
679 HA ASP 83 HA ASP 83 15.604 11.520 -0.580
680 HB2 ASP 83 1HB ASP 83 16.128 13.974 -0.245
681 HB3 ASP 83 2HB ASP 83 17.790 13.493 0.087
682 H VAL 84 H VAL 84 18.682 12.091 1.128
683 HA VAL 84 HA VAL 84 20.228 10.280 -0.255
684 HB VAL 84 HB VAL 84 21.737 10.234 1.666
685 HG11 VAL 84 1HG1 VAL 84 21.838 12.788 2.028
686 HG12 VAL 84 2HG1 VAL 84 22.049 12.155 0.394
687 HG13 VAL 84 3HG1 VAL 84 20.500 12.846 0.881
688 HG21 VAL 84 3HG2 VAL 84 20.799 10.171 3.692
689 HG22 VAL 84 1HG2 VAL 84 20.634 11.921 3.547
690 HG23 VAL 84 2HG2 VAL 84 19.289 10.868 3.105
691 H HIS 85 H HIS 85 17.933 9.686 2.308
692 HA HIS 85 HA HIS 85 18.681 7.187 3.201
693 HB2 HIS 85 1HB HIS 85 16.814 8.468 4.156
694 HB3 HIS 85 2HB HIS 85 15.866 8.180 2.700
695 HD1 HIS 85 HD1 HIS 85 17.618 6.059 5.338
696 HD2 HIS 85 HD2 HIS 85 14.207 6.070 2.966
697 HE1 HIS 85 HE1 HIS 85 16.328 4.005 6.005
Start of MODEL 6
1 H1 GLY -3 H GLY -3 8.263 -2.762 -6.081
2 HA2 GLY -3 1HA GLY -3 5.352 -2.940 -5.614
3 HA3 GLY -3 2HA GLY -3 6.507 -3.377 -4.364
4 HA PRO -2 HA PRO -2 5.309 1.183 -4.129
5 HB2 PRO -2 1HB PRO -2 4.059 1.067 -1.722
6 HB3 PRO -2 2HB PRO -2 3.215 0.823 -3.256
7 HG2 PRO -2 1HG PRO -2 4.232 -1.211 -1.310
8 HG3 PRO -2 2HG PRO -2 2.689 -1.171 -2.183
9 HD2 PRO -2 1HD PRO -2 4.770 -2.712 -2.974
10 HD3 PRO -2 2HD PRO -2 3.621 -1.998 -4.123
11 H GLY -1 H GLY -1 6.987 2.361 -3.465
12 HA2 GLY -1 1HA GLY -1 7.969 2.247 -0.789
13 HA3 GLY -1 2HA GLY -1 9.096 1.496 -1.909
14 H SER 0 H SER 0 8.767 4.175 -0.265
15 HA SER 0 HA SER 0 9.455 6.013 -2.447
16 HB2 SER 0 1HB SER 0 9.090 6.909 0.388
17 HB3 SER 0 2HB SER 0 8.754 7.777 -1.111
18 HG SER 0 HG SER 0 7.001 6.604 0.340
19 H MET 1 H MET 1 11.562 6.027 -2.886
20 HA MET 1 HA MET 1 13.435 6.612 -0.747
21 HB2 MET 1 1HB MET 1 13.773 4.197 -2.535
22 HB3 MET 1 2HB MET 1 14.991 4.813 -1.426
23 HG2 MET 1 1HG MET 1 13.363 4.430 0.434
24 HG3 MET 1 2HG MET 1 12.324 3.616 -0.733
25 HE1 MET 1 3HE MET 1 12.934 1.817 -2.135
26 HE2 MET 1 1HE MET 1 14.653 1.581 -2.452
27 HE3 MET 1 2HE MET 1 13.759 0.388 -1.510
28 H LYS 2 H LYS 2 15.397 7.523 -1.477
29 HA LYS 2 HA LYS 2 15.549 8.116 -4.350
30 HB2 LYS 2 1HB LYS 2 15.343 10.033 -2.086
31 HB3 LYS 2 2HB LYS 2 16.454 10.443 -3.387
32 HG2 LYS 2 1HG LYS 2 14.566 11.450 -4.155
33 HG3 LYS 2 2HG LYS 2 14.370 9.857 -4.890
34 HD2 LYS 2 1HD LYS 2 13.059 9.251 -2.774
35 HD3 LYS 2 2HD LYS 2 13.006 10.988 -2.464
36 HE2 LYS 2 1HE LYS 2 11.616 11.398 -4.233
37 HE3 LYS 2 2HE LYS 2 12.213 10.024 -5.162
38 HZ1 LYS 2 3HZ LYS 2 10.406 8.945 -4.511
39 HZ2 LYS 2 1HZ LYS 2 9.964 10.176 -3.438
40 HZ3 LYS 2 2HZ LYS 2 11.011 8.948 -2.931
41 H GLU 3 H GLU 3 17.750 9.384 -4.716
42 HA GLU 3 HA GLU 3 19.857 8.140 -3.090
43 HB2 GLU 3 1HB GLU 3 21.074 7.408 -4.997
44 HB3 GLU 3 2HB GLU 3 19.425 6.836 -5.206
45 HG2 GLU 3 1HG GLU 3 18.971 8.681 -6.734
46 HG3 GLU 3 2HG GLU 3 20.619 9.268 -6.518
47 H ILE 4 H ILE 4 21.783 9.293 -2.946
48 HA ILE 4 HA ILE 4 21.586 12.090 -3.828
49 HB ILE 4 HB ILE 4 21.803 11.627 -1.371
50 HG12 ILE 4 1HG1 ILE 4 22.693 13.701 -2.753
51 HG13 ILE 4 2HG1 ILE 4 23.016 13.554 -1.029
52 HG21 ILE 4 1HG2 ILE 4 24.053 11.028 -0.535
53 HG22 ILE 4 2HG2 ILE 4 23.282 9.726 -1.439
54 HG23 ILE 4 3HG2 ILE 4 24.548 10.693 -2.194
55 HD11 ILE 4 3HD1 ILE 4 24.967 12.454 -2.995
56 HD12 ILE 4 1HD1 ILE 4 24.925 14.186 -2.666
57 HD13 ILE 4 2HD1 ILE 4 25.233 13.047 -1.355
58 H ILE 5 H ILE 5 23.149 13.023 -5.053
59 HA ILE 5 HA ILE 5 25.508 11.404 -5.736
60 HB ILE 5 HB ILE 5 24.153 13.094 -7.811
61 HG12 ILE 5 1HG1 ILE 5 23.559 10.195 -7.180
62 HG13 ILE 5 2HG1 ILE 5 22.438 11.544 -7.030
63 HG21 ILE 5 1HG2 ILE 5 26.534 11.689 -7.727
64 HG22 ILE 5 2HG2 ILE 5 25.451 10.637 -8.637
65 HG23 ILE 5 3HG2 ILE 5 25.726 12.295 -9.172
66 HD11 ILE 5 3HD1 ILE 5 21.852 10.467 -9.017
67 HD12 ILE 5 1HD1 ILE 5 22.767 11.886 -9.524
68 HD13 ILE 5 2HD1 ILE 5 23.533 10.297 -9.523
69 H LEU 6 H LEU 6 27.397 12.481 -5.783
70 HA LEU 6 HA LEU 6 27.292 15.408 -5.462
71 HB2 LEU 6 1HB LEU 6 29.474 15.164 -4.290
72 HB3 LEU 6 2HB LEU 6 28.108 14.424 -3.458
73 HG LEU 6 HG LEU 6 29.116 12.322 -4.895
74 HD11 LEU 6 1HD1 LEU 6 31.267 14.285 -4.423
75 HD12 LEU 6 2HD1 LEU 6 31.134 13.009 -5.633
76 HD13 LEU 6 3HD1 LEU 6 31.624 12.614 -3.986
77 HD21 LEU 6 3HD2 LEU 6 30.179 11.704 -2.666
78 HD22 LEU 6 1HD2 LEU 6 28.450 12.049 -2.659
79 HD23 LEU 6 2HD2 LEU 6 29.592 13.261 -2.080
80 H TYR 7 H TYR 7 28.080 16.534 -7.102
81 HA TYR 7 HA TYR 7 29.824 15.203 -9.039
82 HB2 TYR 7 1HB TYR 7 28.255 17.782 -9.196
83 HB3 TYR 7 2HB TYR 7 29.307 17.188 -10.476
84 HD1 TYR 7 HD1 TYR 7 28.744 15.000 -11.592
85 HD2 TYR 7 HD2 TYR 7 26.046 16.983 -8.967
86 HE1 TYR 7 HE1 TYR 7 26.887 13.674 -12.510
87 HE2 TYR 7 HE2 TYR 7 24.181 15.662 -9.877
88 HH TYR 7 HH TYR 7 24.313 13.018 -11.283
89 H THR 8 H THR 8 31.915 15.372 -8.550
90 HA THR 8 HA THR 8 33.292 17.801 -8.660
91 HB THR 8 HB THR 8 34.060 17.294 -6.045
92 HG1 THR 8 HG1 THR 8 32.265 16.111 -5.518
93 HG21 THR 8 3HG2 THR 8 33.594 19.495 -5.760
94 HG22 THR 8 1HG2 THR 8 31.978 19.354 -6.449
95 HG23 THR 8 2HG2 THR 8 33.384 19.447 -7.510
96 H ARG 9 H ARG 9 35.604 17.456 -7.504
97 HA ARG 9 HA ARG 9 36.615 15.011 -8.691
98 HB2 ARG 9 1HB ARG 9 38.853 16.010 -8.025
99 HB3 ARG 9 2HB ARG 9 37.909 16.925 -9.193
100 HG2 ARG 9 1HG ARG 9 37.431 18.606 -7.696
101 HG3 ARG 9 2HG ARG 9 37.674 17.566 -6.291
102 HD2 ARG 9 1HD ARG 9 39.533 18.998 -6.312
103 HD3 ARG 9 2HD ARG 9 40.122 17.479 -6.985
104 HE ARG 9 HE ARG 9 40.566 18.581 -8.929
105 HH11 ARG 9 1HH1 ARG 9 38.236 20.425 -7.116
106 HH12 ARG 9 2HH1 ARG 9 38.239 21.760 -8.221
107 HH21 ARG 9 1HH2 ARG 9 40.580 20.332 -10.390
108 HH22 ARG 9 2HH2 ARG 9 39.572 21.706 -10.083
109 HA PRO 10 HA PRO 10 37.152 12.656 -5.029
110 HB2 PRO 10 1HB PRO 10 39.528 11.426 -5.488
111 HB3 PRO 10 2HB PRO 10 38.044 11.000 -6.348
112 HG2 PRO 10 1HG PRO 10 40.311 12.744 -7.232
113 HG3 PRO 10 2HG PRO 10 39.423 11.512 -8.149
114 HD2 PRO 10 1HD PRO 10 38.923 14.161 -8.405
115 HD3 PRO 10 2HD PRO 10 37.657 12.929 -8.584
116 H ASN 11 H ASN 11 39.193 15.237 -5.752
117 HA ASN 11 HA ASN 11 40.450 15.070 -3.091
118 HB2 ASN 11 1HB ASN 11 41.570 16.354 -5.593
119 HB3 ASN 11 2HB ASN 11 42.334 16.377 -4.006
120 HD21 ASN 11 2HD2 ASN 11 43.754 14.848 -3.593
121 HD22 ASN 11 1HD2 ASN 11 43.911 13.352 -4.444
122 H CYS 12 H CYS 12 38.158 16.113 -2.791
123 HA CYS 12 HA CYS 12 38.478 19.036 -2.995
124 HB2 CYS 12 1HB CYS 12 35.951 19.102 -2.892
125 HB3 CYS 12 2HB CYS 12 36.630 18.433 -4.372
126 HA PRO 13 HA PRO 13 38.636 18.531 1.467
127 HB2 PRO 13 1HB PRO 13 39.379 21.095 1.960
128 HB3 PRO 13 2HB PRO 13 40.516 19.852 1.423
129 HG2 PRO 13 1HG PRO 13 39.142 21.980 -0.173
130 HG3 PRO 13 2HG PRO 13 40.829 21.437 -0.249
131 HD2 PRO 13 1HD PRO 13 38.958 20.635 -2.036
132 HD3 PRO 13 2HD PRO 13 40.311 19.598 -1.538
133 H TYR 14 H TYR 14 36.565 20.329 -0.502
134 HA TYR 14 HA TYR 14 35.105 21.517 1.731
135 HB2 TYR 14 1HB TYR 14 35.241 21.974 -1.181
136 HB3 TYR 14 2HB TYR 14 33.641 22.155 -0.470
137 HD1 TYR 14 HD1 TYR 14 33.889 23.458 1.979
138 HD2 TYR 14 HD2 TYR 14 36.328 23.979 -1.468
139 HE1 TYR 14 HE1 TYR 14 34.480 25.719 2.747
140 HE2 TYR 14 HE2 TYR 14 36.927 26.240 -0.709
141 HH TYR 14 HH TYR 14 35.746 28.027 0.860
142 H CYS 15 H CYS 15 34.285 19.568 -1.145
143 HA CYS 15 HA CYS 15 31.731 18.822 -0.384
144 HB2 CYS 15 1HB CYS 15 31.839 17.146 -2.047
145 HB3 CYS 15 2HB CYS 15 32.904 18.427 -2.616
146 H LYS 16 H LYS 16 34.771 17.746 0.830
147 HA LYS 16 HA LYS 16 34.286 15.222 1.781
148 HB2 LYS 16 1HB LYS 16 36.450 16.145 2.085
149 HB3 LYS 16 2HB LYS 16 35.822 17.509 3.001
150 HG2 LYS 16 1HG LYS 16 35.183 15.952 4.810
151 HG3 LYS 16 2HG LYS 16 35.928 14.637 3.899
152 HD2 LYS 16 1HD LYS 16 38.009 15.261 4.475
153 HD3 LYS 16 2HD LYS 16 37.654 16.977 4.263
154 HE2 LYS 16 1HE LYS 16 36.731 17.152 6.428
155 HE3 LYS 16 2HE LYS 16 36.640 15.401 6.615
156 HZ1 LYS 16 3HZ LYS 16 39.005 15.276 6.755
157 HZ2 LYS 16 1HZ LYS 16 38.487 16.453 7.854
158 HZ3 LYS 16 2HZ LYS 16 39.182 16.916 6.383
159 H ARG 17 H ARG 17 33.053 18.262 2.998
160 HA ARG 17 HA ARG 17 32.095 17.308 5.483
161 HB2 ARG 17 1HB ARG 17 31.473 19.694 3.774
162 HB3 ARG 17 2HB ARG 17 30.508 19.352 5.204
163 HG2 ARG 17 1HG ARG 17 32.511 19.456 6.591
164 HG3 ARG 17 2HG ARG 17 33.489 19.779 5.158
165 HD2 ARG 17 1HD ARG 17 32.473 21.884 4.820
166 HD3 ARG 17 2HD ARG 17 31.177 21.524 5.960
167 HE ARG 17 HE ARG 17 33.747 22.590 6.574
168 HH11 ARG 17 1HH1 ARG 17 31.195 20.563 7.797
169 HH12 ARG 17 2HH1 ARG 17 31.580 20.858 9.460
170 HH21 ARG 17 1HH2 ARG 17 34.264 22.986 8.760
171 HH22 ARG 17 2HH2 ARG 17 33.326 22.237 10.007
172 H ALA 18 H ALA 18 30.593 17.634 2.293
173 HA ALA 18 HA ALA 18 28.007 16.798 3.088
174 HB1 ALA 18 1HB ALA 18 29.295 16.695 0.363
175 HB2 ALA 18 2HB ALA 18 27.572 16.525 0.697
176 HB3 ALA 18 3HB ALA 18 28.389 18.051 1.033
177 H ARG 19 H ARG 19 30.593 15.049 1.359
178 HA ARG 19 HA ARG 19 29.329 12.561 1.287
179 HB2 ARG 19 1HB ARG 19 31.409 11.656 0.653
180 HB3 ARG 19 2HB ARG 19 31.435 13.310 0.057
181 HG2 ARG 19 1HG ARG 19 33.492 13.258 0.989
182 HG3 ARG 19 2HG ARG 19 32.575 13.723 2.424
183 HD2 ARG 19 1HD ARG 19 32.744 11.637 3.373
184 HD3 ARG 19 2HD ARG 19 32.934 10.828 1.818
185 HE ARG 19 HE ARG 19 35.015 11.924 3.469
186 HH11 ARG 19 1HH1 ARG 19 34.103 11.036 0.229
187 HH12 ARG 19 2HH1 ARG 19 35.735 10.819 -0.311
188 HH21 ARG 19 1HH2 ARG 19 37.168 11.642 2.771
189 HH22 ARG 19 2HH2 ARG 19 37.477 11.163 1.136
190 H ASP 20 H ASP 20 31.162 14.131 3.816
191 HA ASP 20 HA ASP 20 31.528 11.822 5.440
192 HB2 ASP 20 1HB ASP 20 33.001 13.646 5.827
193 HB3 ASP 20 2HB ASP 20 31.665 14.780 6.009
194 H LEU 21 H LEU 21 29.138 14.437 5.401
195 HA LEU 21 HA LEU 21 27.718 13.655 7.696
196 HB2 LEU 21 1HB LEU 21 27.437 15.842 6.718
197 HB3 LEU 21 2HB LEU 21 26.804 15.134 5.234
198 HG LEU 21 HG LEU 21 25.150 14.251 7.351
199 HD11 LEU 21 1HD1 LEU 21 26.151 16.194 8.585
200 HD12 LEU 21 2HD1 LEU 21 24.400 16.252 8.386
201 HD13 LEU 21 3HD1 LEU 21 25.437 17.247 7.363
202 HD21 LEU 21 3HD2 LEU 21 24.733 14.816 4.860
203 HD22 LEU 21 1HD2 LEU 21 24.442 16.452 5.452
204 HD23 LEU 21 2HD2 LEU 21 23.450 15.115 6.034
205 H LEU 22 H LEU 22 27.131 12.941 4.260
206 HA LEU 22 HA LEU 22 24.856 11.336 4.654
207 HB2 LEU 22 1HB LEU 22 26.845 10.996 2.426
208 HB3 LEU 22 2HB LEU 22 25.119 10.639 2.405
209 HG LEU 22 HG LEU 22 25.874 13.458 2.887
210 HD11 LEU 22 1HD1 LEU 22 27.450 13.147 1.198
211 HD12 LEU 22 2HD1 LEU 22 26.021 13.725 0.343
212 HD13 LEU 22 3HD1 LEU 22 26.426 12.009 0.322
213 HD21 LEU 22 3HD2 LEU 22 23.936 13.847 1.471
214 HD22 LEU 22 1HD2 LEU 22 23.543 12.711 2.761
215 HD23 LEU 22 2HD2 LEU 22 23.824 12.121 1.122
216 H ASP 23 H ASP 23 28.229 10.357 4.027
217 HA ASP 23 HA ASP 23 27.926 7.626 4.283
218 HB2 ASP 23 1HB ASP 23 30.011 8.981 3.629
219 HB3 ASP 23 2HB ASP 23 30.341 9.069 5.357
220 H LYS 24 H LYS 24 28.305 10.057 6.803
221 HA LYS 24 HA LYS 24 28.481 8.132 8.929
222 HB2 LYS 24 1HB LYS 24 28.233 11.120 8.795
223 HB3 LYS 24 2HB LYS 24 28.016 10.281 10.326
224 HG2 LYS 24 1HG LYS 24 30.309 9.176 9.671
225 HG3 LYS 24 2HG LYS 24 30.467 10.629 8.681
226 HD2 LYS 24 1HD LYS 24 30.019 11.996 10.700
227 HD3 LYS 24 2HD LYS 24 29.998 10.514 11.660
228 HE2 LYS 24 1HE LYS 24 32.359 10.984 9.929
229 HE3 LYS 24 2HE LYS 24 32.188 12.009 11.354
230 HZ1 LYS 24 3HZ LYS 24 32.875 10.354 12.632
231 HZ2 LYS 24 1HZ LYS 24 33.181 9.429 11.249
232 HZ3 LYS 24 2HZ LYS 24 31.686 9.311 12.030
233 H LYS 25 H LYS 25 25.947 9.809 7.265
234 HA LYS 25 HA LYS 25 23.936 9.510 9.260
235 HB2 LYS 25 1HB LYS 25 24.158 10.718 6.707
236 HB3 LYS 25 2HB LYS 25 22.811 9.590 6.623
237 HG2 LYS 25 1HG LYS 25 21.660 11.361 7.396
238 HG3 LYS 25 2HG LYS 25 22.245 10.779 8.956
239 HD2 LYS 25 1HD LYS 25 24.138 12.327 8.821
240 HD3 LYS 25 2HD LYS 25 23.550 12.909 7.261
241 HE2 LYS 25 1HE LYS 25 22.094 14.285 8.236
242 HE3 LYS 25 2HE LYS 25 21.480 13.003 9.279
243 HZ1 LYS 25 3HZ LYS 25 22.378 14.301 10.867
244 HZ2 LYS 25 1HZ LYS 25 23.488 15.034 9.821
245 HZ3 LYS 25 2HZ LYS 25 23.806 13.497 10.450
246 H GLY 26 H GLY 26 25.119 7.513 6.636
247 HA2 GLY 26 1HA GLY 26 24.903 5.118 6.800
248 HA3 GLY 26 2HA GLY 26 23.352 5.357 7.591
249 H VAL 27 H VAL 27 24.414 7.047 4.696
250 HA VAL 27 HA VAL 27 22.357 5.583 3.172
251 HB VAL 27 HB VAL 27 22.314 7.772 1.771
252 HG11 VAL 27 1HG1 VAL 27 20.425 6.916 3.052
253 HG12 VAL 27 2HG1 VAL 27 21.073 7.652 4.519
254 HG13 VAL 27 3HG1 VAL 27 20.530 8.671 3.185
255 HG21 VAL 27 3HG2 VAL 27 24.214 8.840 2.878
256 HG22 VAL 27 1HG2 VAL 27 22.745 9.797 3.071
257 HG23 VAL 27 2HG2 VAL 27 23.341 8.817 4.410
258 H LYS 28 H LYS 28 22.722 5.900 0.724
259 HA LYS 28 HA LYS 28 25.563 5.361 0.181
260 HB2 LYS 28 1HB LYS 28 23.024 4.257 -0.885
261 HB3 LYS 28 2HB LYS 28 24.342 4.445 -2.034
262 HG2 LYS 28 1HG LYS 28 24.879 3.100 0.568
263 HG3 LYS 28 2HG LYS 28 24.026 2.218 -0.701
264 HD2 LYS 28 1HD LYS 28 25.846 2.194 -2.096
265 HD3 LYS 28 2HD LYS 28 26.518 3.680 -1.421
266 HE2 LYS 28 1HE LYS 28 26.363 1.416 0.447
267 HE3 LYS 28 2HE LYS 28 27.465 1.189 -0.910
268 HZ1 LYS 28 3HZ LYS 28 28.047 2.503 1.386
269 HZ2 LYS 28 1HZ LYS 28 27.700 3.772 0.323
270 HZ3 LYS 28 2HZ LYS 28 28.902 2.648 -0.067
271 H TYR 29 H TYR 29 26.623 6.971 -0.753
272 HA TYR 29 HA TYR 29 25.139 8.809 -2.511
273 HB2 TYR 29 1HB TYR 29 26.835 10.479 -2.007
274 HB3 TYR 29 2HB TYR 29 26.156 9.849 -0.510
275 HD1 TYR 29 HD1 TYR 29 29.121 9.863 -2.691
276 HD2 TYR 29 HD2 TYR 29 27.507 8.615 1.042
277 HE1 TYR 29 HE1 TYR 29 31.386 9.325 -1.899
278 HE2 TYR 29 HE2 TYR 29 29.768 8.075 1.846
279 HH TYR 29 HH TYR 29 32.506 8.034 -0.264
280 H THR 30 H THR 30 25.909 9.292 -4.537
281 HA THR 30 HA THR 30 27.958 7.462 -5.567
282 HB THR 30 HB THR 30 25.863 9.074 -7.037
283 HG1 THR 30 HG1 THR 30 26.143 6.288 -6.496
284 HG21 THR 30 3HG2 THR 30 26.590 7.745 -9.014
285 HG22 THR 30 1HG2 THR 30 27.957 7.159 -8.067
286 HG23 THR 30 2HG2 THR 30 27.813 8.877 -8.438
287 H ASP 31 H ASP 31 29.936 8.255 -5.783
288 HA ASP 31 HA ASP 31 30.391 11.112 -5.906
289 HB2 ASP 31 1HB ASP 31 31.933 9.991 -4.524
290 HB3 ASP 31 2HB ASP 31 32.190 8.708 -5.703
291 H ILE 32 H ILE 32 30.230 12.138 -7.782
292 HA ILE 32 HA ILE 32 30.859 10.717 -10.264
293 HB ILE 32 HB ILE 32 29.556 13.417 -9.897
294 HG12 ILE 32 1HG1 ILE 32 28.202 11.536 -9.014
295 HG13 ILE 32 2HG1 ILE 32 27.460 12.302 -10.413
296 HG21 ILE 32 1HG2 ILE 32 28.846 12.946 -12.301
297 HG22 ILE 32 2HG2 ILE 32 30.526 13.404 -12.031
298 HG23 ILE 32 3HG2 ILE 32 30.108 11.714 -12.307
299 HD11 ILE 32 3HD1 ILE 32 27.227 9.920 -10.573
300 HD12 ILE 32 1HD1 ILE 32 28.333 10.483 -11.826
301 HD13 ILE 32 2HD1 ILE 32 28.966 9.700 -10.377
302 H ASP 33 H ASP 33 32.808 10.946 -11.114
303 HA ASP 33 HA ASP 33 34.805 12.634 -10.197
304 HB2 ASP 33 1HB ASP 33 34.397 11.069 -12.708
305 HB3 ASP 33 2HB ASP 33 35.725 12.225 -12.646
306 H ALA 34 H ALA 34 35.614 14.610 -10.821
307 HA ALA 34 HA ALA 34 33.784 16.535 -11.749
308 HB1 ALA 34 1HB ALA 34 35.337 17.614 -10.528
309 HB2 ALA 34 2HB ALA 34 36.623 16.492 -10.977
310 HB3 ALA 34 3HB ALA 34 36.155 17.785 -12.082
311 H SER 35 H SER 35 35.721 14.311 -13.436
312 HA SER 35 HA SER 35 36.474 15.600 -15.745
313 HB2 SER 35 1HB SER 35 36.817 13.139 -15.057
314 HB3 SER 35 2HB SER 35 35.255 12.845 -15.821
315 HG SER 35 HG SER 35 37.262 14.239 -17.211
316 H THR 36 H THR 36 35.197 17.050 -16.734
317 HA THR 36 HA THR 36 32.435 17.050 -16.919
318 HB THR 36 HB THR 36 33.519 19.061 -17.496
319 HG1 THR 36 HG1 THR 36 32.905 19.196 -19.889
320 HG21 THR 36 3HG2 THR 36 35.685 18.296 -18.135
321 HG22 THR 36 1HG2 THR 36 35.036 19.201 -19.502
322 HG23 THR 36 2HG2 THR 36 35.038 17.438 -19.533
323 H SER 37 H SER 37 34.762 15.231 -18.731
324 HA SER 37 HA SER 37 33.458 14.650 -21.077
325 HB2 SER 37 1HB SER 37 35.754 13.821 -20.153
326 HB3 SER 37 2HB SER 37 34.822 12.447 -19.558
327 HG SER 37 HG SER 37 35.357 13.237 -22.193
328 H LEU 38 H LEU 38 32.761 13.483 -17.858
329 HA LEU 38 HA LEU 38 30.435 12.038 -18.944
330 HB2 LEU 38 1HB LEU 38 32.449 11.226 -16.922
331 HB3 LEU 38 2HB LEU 38 30.775 10.751 -16.638
332 HG LEU 38 HG LEU 38 32.138 8.999 -17.736
333 HD11 LEU 38 1HD1 LEU 38 29.713 9.052 -18.005
334 HD12 LEU 38 2HD1 LEU 38 30.505 8.450 -19.461
335 HD13 LEU 38 3HD1 LEU 38 29.887 10.100 -19.413
336 HD21 LEU 38 3HD2 LEU 38 33.256 9.290 -19.673
337 HD22 LEU 38 1HD2 LEU 38 33.247 10.984 -19.179
338 HD23 LEU 38 2HD2 LEU 38 32.048 10.395 -20.331
339 H ARG 39 H ARG 39 31.762 13.994 -16.345
340 HA ARG 39 HA ARG 39 29.512 14.099 -14.683
341 HB2 ARG 39 1HB ARG 39 31.905 14.958 -14.262
342 HB3 ARG 39 2HB ARG 39 31.379 16.425 -15.076
343 HG2 ARG 39 1HG ARG 39 29.385 16.112 -13.280
344 HG3 ARG 39 2HG ARG 39 30.743 15.417 -12.394
345 HD2 ARG 39 1HD ARG 39 30.539 17.793 -11.921
346 HD3 ARG 39 2HD ARG 39 32.037 17.459 -12.788
347 HE ARG 39 HE ARG 39 29.834 18.224 -14.480
348 HH11 ARG 39 1HH1 ARG 39 32.518 19.337 -12.561
349 HH12 ARG 39 2HH1 ARG 39 32.673 20.838 -13.413
350 HH21 ARG 39 1HH2 ARG 39 30.028 20.197 -15.608
351 HH22 ARG 39 2HH2 ARG 39 31.255 21.326 -15.145
352 H GLN 40 H GLN 40 30.344 15.897 -17.580
353 HA GLN 40 HA GLN 40 28.355 17.890 -17.362
354 HB2 GLN 40 1HB GLN 40 30.282 18.102 -18.865
355 HB3 GLN 40 2HB GLN 40 29.682 16.762 -19.833
356 HG2 GLN 40 1HG GLN 40 27.537 18.396 -19.879
357 HG3 GLN 40 2HG GLN 40 28.842 19.575 -19.765
358 HE21 GLN 40 2HE2 GLN 40 27.199 17.335 -21.754
359 HE22 GLN 40 1HE2 GLN 40 28.119 17.590 -23.194
360 H GLU 41 H GLU 41 28.385 14.687 -18.849
361 HA GLU 41 HA GLU 41 25.802 14.917 -20.028
362 HB2 GLU 41 1HB GLU 41 27.053 12.293 -19.281
363 HB3 GLU 41 2HB GLU 41 26.045 12.681 -20.668
364 HG2 GLU 41 1HG GLU 41 28.919 13.432 -20.221
365 HG3 GLU 41 2HG GLU 41 28.261 12.351 -21.449
366 H MET 42 H MET 42 27.015 13.691 -16.958
367 HA MET 42 HA MET 42 24.525 12.575 -16.117
368 HB2 MET 42 1HB MET 42 26.938 13.382 -14.484
369 HB3 MET 42 2HB MET 42 25.600 12.395 -13.911
370 HG2 MET 42 1HG MET 42 26.929 11.430 -16.348
371 HG3 MET 42 2HG MET 42 27.909 11.411 -14.884
372 HE1 MET 42 3HE MET 42 27.609 8.136 -14.247
373 HE2 MET 42 1HE MET 42 28.283 9.717 -13.853
374 HE3 MET 42 2HE MET 42 27.087 8.978 -12.788
375 H VAL 43 H VAL 43 26.286 15.549 -15.261
376 HA VAL 43 HA VAL 43 24.366 16.585 -13.500
377 HB VAL 43 HB VAL 43 26.707 17.428 -13.737
378 HG11 VAL 43 1HG1 VAL 43 27.361 18.849 -15.482
379 HG12 VAL 43 2HG1 VAL 43 26.519 17.522 -16.285
380 HG13 VAL 43 3HG1 VAL 43 25.704 19.068 -16.043
381 HG21 VAL 43 3HG2 VAL 43 25.896 19.944 -13.707
382 HG22 VAL 43 1HG2 VAL 43 24.307 19.180 -13.647
383 HG23 VAL 43 2HG2 VAL 43 25.500 18.833 -12.396
384 H GLN 44 H GLN 44 24.718 16.870 -16.998
385 HA GLN 44 HA GLN 44 22.596 18.769 -17.290
386 HB2 GLN 44 1HB GLN 44 22.972 18.625 -19.605
387 HB3 GLN 44 2HB GLN 44 24.558 18.385 -18.885
388 HG2 GLN 44 1HG GLN 44 24.349 15.981 -19.192
389 HG3 GLN 44 2HG GLN 44 22.742 16.201 -19.881
390 HE21 GLN 44 2HE2 GLN 44 22.865 15.775 -21.965
391 HE22 GLN 44 1HE2 GLN 44 24.066 16.370 -23.054
392 H ARG 45 H ARG 45 22.879 15.277 -17.414
393 HA ARG 45 HA ARG 45 20.223 14.877 -18.443
394 HB2 ARG 45 1HB ARG 45 21.899 13.223 -18.950
395 HB3 ARG 45 2HB ARG 45 22.243 12.981 -17.243
396 HG2 ARG 45 1HG ARG 45 20.295 11.788 -16.883
397 HG3 ARG 45 2HG ARG 45 19.503 12.457 -18.312
398 HD2 ARG 45 1HD ARG 45 20.035 10.227 -18.860
399 HD3 ARG 45 2HD ARG 45 21.236 11.222 -19.682
400 HE ARG 45 HE ARG 45 22.113 10.332 -17.108
401 HH11 ARG 45 1HH1 ARG 45 21.790 9.429 -20.455
402 HH12 ARG 45 2HH1 ARG 45 23.076 8.270 -20.402
403 HH21 ARG 45 1HH2 ARG 45 23.808 8.808 -17.026
404 HH22 ARG 45 2HH2 ARG 45 24.223 7.916 -18.451
405 H ALA 46 H ALA 46 21.582 15.496 -15.386
406 HA ALA 46 HA ALA 46 19.338 14.303 -13.941
407 HB1 ALA 46 1HB ALA 46 22.033 15.287 -13.188
408 HB2 ALA 46 2HB ALA 46 20.757 15.380 -11.973
409 HB3 ALA 46 3HB ALA 46 21.179 13.825 -12.692
410 H ASN 47 H ASN 47 20.820 17.451 -14.579
411 HA ASN 47 HA ASN 47 18.638 18.799 -13.179
412 HB2 ASN 47 1HB ASN 47 20.531 19.941 -12.587
413 HB3 ASN 47 2HB ASN 47 21.357 19.571 -14.098
414 HD21 ASN 47 2HD2 ASN 47 21.418 21.068 -15.641
415 HD22 ASN 47 1HD2 ASN 47 20.552 22.563 -15.612
416 H GLY 48 H GLY 48 20.124 18.653 -16.401
417 HA2 GLY 48 1HA GLY 48 18.213 18.528 -18.134
418 HA3 GLY 48 2HA GLY 48 17.806 20.109 -17.483
419 H ARG 49 H ARG 49 21.006 20.111 -17.218
420 HA ARG 49 HA ARG 49 21.952 20.366 -19.863
421 HB2 ARG 49 1HB ARG 49 22.141 22.784 -20.048
422 HB3 ARG 49 2HB ARG 49 20.453 22.322 -19.877
423 HG2 ARG 49 1HG ARG 49 20.406 23.036 -17.608
424 HG3 ARG 49 2HG ARG 49 22.155 23.264 -17.585
425 HD2 ARG 49 1HD ARG 49 21.939 25.050 -19.246
426 HD3 ARG 49 2HD ARG 49 20.191 24.821 -19.263
427 HE ARG 49 HE ARG 49 21.743 26.203 -17.273
428 HH11 ARG 49 1HH1 ARG 49 18.763 24.530 -17.940
429 HH12 ARG 49 2HH1 ARG 49 17.887 25.312 -16.665
430 HH21 ARG 49 1HH2 ARG 49 20.601 27.238 -15.592
431 HH22 ARG 49 2HH2 ARG 49 18.934 26.853 -15.331
432 H ASN 50 H ASN 50 24.161 21.086 -19.960
433 HA ASN 50 HA ASN 50 25.695 20.276 -17.741
434 HB2 ASN 50 1HB ASN 50 27.631 21.002 -19.036
435 HB3 ASN 50 2HB ASN 50 26.495 20.149 -20.076
436 HD21 ASN 50 2HD2 ASN 50 28.130 23.080 -19.454
437 HD22 ASN 50 1HD2 ASN 50 27.503 23.980 -20.789
438 H THR 51 H THR 51 27.053 21.470 -16.361
439 HA THR 51 HA THR 51 27.218 24.282 -16.320
440 HB THR 51 HB THR 51 25.828 24.022 -13.905
441 HG1 THR 51 HG1 THR 51 24.029 23.199 -15.893
442 HG21 THR 51 3HG2 THR 51 25.528 25.441 -16.470
443 HG22 THR 51 1HG2 THR 51 25.497 26.062 -14.820
444 HG23 THR 51 2HG2 THR 51 24.058 25.305 -15.504
445 H PHE 52 H PHE 52 27.780 24.975 -13.869
446 HA PHE 52 HA PHE 52 30.202 23.710 -13.266
447 HB2 PHE 52 1HB PHE 52 30.013 25.015 -11.079
448 HB3 PHE 52 2HB PHE 52 29.961 25.956 -12.566
449 HD1 PHE 52 HD2 PHE 52 27.838 24.468 -9.921
450 HD2 PHE 52 HD1 PHE 52 28.141 27.341 -13.048
451 HE1 PHE 52 HE2 PHE 52 25.704 25.464 -9.209
452 HE2 PHE 52 HE1 PHE 52 26.008 28.341 -12.340
453 HZ PHE 52 HZ PHE 52 24.786 27.402 -10.419
454 HA PRO 53 HA PRO 53 29.199 20.285 -10.714
455 HB2 PRO 53 1HB PRO 53 31.212 20.338 -8.894
456 HB3 PRO 53 2HB PRO 53 31.454 19.863 -10.579
457 HG2 PRO 53 1HG PRO 53 32.000 22.492 -9.255
458 HG3 PRO 53 2HG PRO 53 32.992 21.600 -10.423
459 HD2 PRO 53 1HD PRO 53 31.433 23.696 -11.136
460 HD3 PRO 53 2HD PRO 53 31.752 22.329 -12.224
461 H GLN 54 H GLN 54 28.425 19.636 -8.647
462 HA GLN 54 HA GLN 54 28.327 21.292 -6.381
463 HB2 GLN 54 1HB GLN 54 25.949 21.950 -6.431
464 HB3 GLN 54 2HB GLN 54 26.881 22.717 -7.711
465 HG2 GLN 54 1HG GLN 54 25.039 22.093 -8.884
466 HG3 GLN 54 2HG GLN 54 26.038 20.658 -9.108
467 HE21 GLN 54 2HE2 GLN 54 24.911 18.872 -8.940
468 HE22 GLN 54 1HE2 GLN 54 23.597 18.587 -7.855
469 H ILE 55 H ILE 55 26.270 20.552 -4.970
470 HA ILE 55 HA ILE 55 26.460 17.638 -4.918
471 HB ILE 55 HB ILE 55 25.347 19.550 -2.862
472 HG12 ILE 55 1HG1 ILE 55 27.459 18.528 -1.641
473 HG13 ILE 55 2HG1 ILE 55 28.018 18.277 -3.291
474 HG21 ILE 55 1HG2 ILE 55 24.219 17.604 -2.388
475 HG22 ILE 55 2HG2 ILE 55 25.522 16.577 -2.986
476 HG23 ILE 55 3HG2 ILE 55 25.684 17.389 -1.429
477 HD11 ILE 55 3HD1 ILE 55 28.612 20.457 -1.986
478 HD12 ILE 55 1HD1 ILE 55 28.222 20.515 -3.704
479 HD13 ILE 55 2HD1 ILE 55 27.004 20.960 -2.508
480 H PHE 56 H PHE 56 24.946 16.542 -5.969
481 HA PHE 56 HA PHE 56 22.279 17.690 -6.292
482 HB2 PHE 56 1HB PHE 56 23.902 16.320 -8.037
483 HB3 PHE 56 2HB PHE 56 22.785 15.067 -7.506
484 HD1 PHE 56 HD1 PHE 56 20.247 15.805 -7.505
485 HD2 PHE 56 HD2 PHE 56 23.315 17.607 -9.842
486 HE1 PHE 56 HE1 PHE 56 18.551 16.651 -9.074
487 HE2 PHE 56 HE2 PHE 56 21.623 18.456 -11.414
488 HZ PHE 56 HZ PHE 56 19.238 17.979 -11.031
489 H ILE 57 H ILE 57 20.410 16.704 -5.583
490 HA ILE 57 HA ILE 57 20.670 14.264 -3.981
491 HB ILE 57 HB ILE 57 19.237 15.231 -2.211
492 HG12 ILE 57 1HG1 ILE 57 19.646 17.974 -2.485
493 HG13 ILE 57 2HG1 ILE 57 19.164 17.446 -4.094
494 HG21 ILE 57 1HG2 ILE 57 21.408 17.141 -2.076
495 HG22 ILE 57 2HG2 ILE 57 21.089 15.723 -1.078
496 HG23 ILE 57 3HG2 ILE 57 21.961 15.552 -2.601
497 HD11 ILE 57 3HD1 ILE 57 17.056 17.019 -3.461
498 HD12 ILE 57 1HD1 ILE 57 17.540 16.396 -1.884
499 HD13 ILE 57 2HD1 ILE 57 17.441 18.137 -2.152
500 H GLY 58 H GLY 58 19.227 12.835 -4.666
501 HA2 GLY 58 1HA GLY 58 17.367 11.935 -5.672
502 HA3 GLY 58 2HA GLY 58 16.491 13.186 -4.803
503 H ASP 59 H ASP 59 15.620 14.856 -5.909
504 HA ASP 59 HA ASP 59 16.252 15.043 -8.781
505 HB2 ASP 59 1HB ASP 59 13.518 15.672 -7.711
506 HB3 ASP 59 2HB ASP 59 13.996 15.249 -9.353
507 H TYR 60 H TYR 60 17.537 16.575 -6.832
508 HA TYR 60 HA TYR 60 16.810 19.229 -7.727
509 HB2 TYR 60 1HB TYR 60 15.409 19.209 -5.818
510 HB3 TYR 60 2HB TYR 60 16.624 18.400 -4.836
511 HD1 TYR 60 HD2 TYR 60 16.139 21.574 -6.746
512 HD2 TYR 60 HD1 TYR 60 17.866 19.669 -3.356
513 HE1 TYR 60 HE2 TYR 60 16.920 23.757 -5.925
514 HE2 TYR 60 HE1 TYR 60 18.651 21.847 -2.525
515 HH TYR 60 HH TYR 60 19.088 24.389 -4.156
516 H HIS 61 H HIS 61 18.490 20.724 -7.549
517 HA HIS 61 HA HIS 61 21.098 19.532 -6.904
518 HB2 HIS 61 1HB HIS 61 21.988 21.454 -8.312
519 HB3 HIS 61 2HB HIS 61 21.068 20.224 -9.174
520 HD1 HIS 61 HD1 HIS 61 18.626 20.899 -9.920
521 HD2 HIS 61 HD2 HIS 61 20.946 24.003 -8.421
522 HE1 HIS 61 HE1 HIS 61 17.448 23.012 -10.608
523 H VAL 62 H VAL 62 21.792 20.053 -4.939
524 HA VAL 62 HA VAL 62 20.863 22.238 -3.423
525 HB VAL 62 HB VAL 62 23.377 20.601 -3.065
526 HG11 VAL 62 1HG1 VAL 62 21.973 22.478 -1.167
527 HG12 VAL 62 2HG1 VAL 62 23.285 21.384 -0.723
528 HG13 VAL 62 3HG1 VAL 62 23.575 22.692 -1.871
529 HG21 VAL 62 3HG2 VAL 62 20.648 20.343 -1.803
530 HG22 VAL 62 1HG2 VAL 62 21.341 19.261 -3.010
531 HG23 VAL 62 2HG2 VAL 62 22.063 19.368 -1.405
532 H GLY 63 H GLY 63 24.271 21.762 -4.333
533 HA2 GLY 63 1HA GLY 63 25.062 23.665 -5.902
534 HA3 GLY 63 2HA GLY 63 24.515 24.682 -4.578
535 H GLY 64 H GLY 64 25.579 24.447 -2.497
536 HA2 GLY 64 1HA GLY 64 28.391 23.628 -2.852
537 HA3 GLY 64 2HA GLY 64 27.845 24.892 -1.760
538 H CYS 65 H CYS 65 29.520 22.785 -0.974
539 HA CYS 65 HA CYS 65 28.170 20.621 0.203
540 HB2 CYS 65 1HB CYS 65 30.220 20.411 1.622
541 HB3 CYS 65 2HB CYS 65 30.555 20.521 -0.102
542 HG CYS 65 HG CYS 65 31.229 23.277 0.049
543 H ASP 66 H ASP 66 28.891 23.859 1.371
544 HA ASP 66 HA ASP 66 28.006 23.363 4.047
545 HB2 ASP 66 1HB ASP 66 28.104 25.851 4.262
546 HB3 ASP 66 2HB ASP 66 29.599 25.131 3.670
547 H ASP 67 H ASP 67 26.491 24.298 1.073
548 HA ASP 67 HA ASP 67 24.198 25.576 1.977
549 HB2 ASP 67 1HB ASP 67 24.817 25.390 -0.401
550 HB3 ASP 67 2HB ASP 67 24.443 23.669 -0.360
551 H LEU 68 H LEU 68 24.602 22.099 1.289
552 HA LEU 68 HA LEU 68 22.089 21.278 2.173
553 HB2 LEU 68 1HB LEU 68 22.902 19.092 2.103
554 HB3 LEU 68 2HB LEU 68 23.845 19.959 0.892
555 HG LEU 68 HG LEU 68 25.535 20.189 2.931
556 HD11 LEU 68 1HD1 LEU 68 23.672 18.021 3.690
557 HD12 LEU 68 2HD1 LEU 68 24.638 19.097 4.700
558 HD13 LEU 68 3HD1 LEU 68 25.394 17.712 3.913
559 HD21 LEU 68 3HD2 LEU 68 25.181 18.324 0.730
560 HD22 LEU 68 1HD2 LEU 68 26.140 17.649 2.046
561 HD23 LEU 68 2HD2 LEU 68 26.632 19.161 1.284
562 H TYR 69 H TYR 69 25.081 21.813 3.948
563 HA TYR 69 HA TYR 69 24.289 20.657 6.389
564 HB2 TYR 69 1HB TYR 69 26.524 22.138 5.394
565 HB3 TYR 69 2HB TYR 69 26.017 22.850 6.921
566 HD1 TYR 69 HD1 TYR 69 26.922 19.599 5.352
567 HD2 TYR 69 HD2 TYR 69 26.643 21.863 8.944
568 HE1 TYR 69 HE1 TYR 69 28.086 17.804 6.566
569 HE2 TYR 69 HE2 TYR 69 27.808 20.075 10.168
570 HH TYR 69 HH TYR 69 29.476 18.177 9.508
571 H ALA 70 H ALA 70 24.226 24.049 5.306
572 HA ALA 70 HA ALA 70 23.069 25.143 7.601
573 HB1 ALA 70 1HB ALA 70 23.984 26.146 5.244
574 HB2 ALA 70 2HB ALA 70 22.246 26.399 5.085
575 HB3 ALA 70 3HB ALA 70 23.112 27.075 6.464
576 H LEU 71 H LEU 71 21.558 23.810 4.686
577 HA LEU 71 HA LEU 71 18.902 24.455 5.328
578 HB2 LEU 71 1HB LEU 71 19.969 22.143 3.714
579 HB3 LEU 71 2HB LEU 71 18.291 22.683 3.733
580 HG LEU 71 HG LEU 71 20.496 24.528 2.879
581 HD11 LEU 71 1HD1 LEU 71 19.214 22.319 1.322
582 HD12 LEU 71 2HD1 LEU 71 20.908 22.803 1.388
583 HD13 LEU 71 3HD1 LEU 71 19.740 23.799 0.520
584 HD21 LEU 71 3HD2 LEU 71 17.759 24.820 3.263
585 HD22 LEU 71 1HD2 LEU 71 17.952 24.675 1.516
586 HD23 LEU 71 2HD2 LEU 71 18.832 25.923 2.399
587 H GLU 72 H GLU 72 20.615 21.348 5.718
588 HA GLU 72 HA GLU 72 18.586 20.007 7.079
589 HB2 GLU 72 1HB GLU 72 20.256 18.416 7.742
590 HB3 GLU 72 2HB GLU 72 20.641 18.962 6.116
591 HG2 GLU 72 1HG GLU 72 22.436 20.276 6.865
592 HG3 GLU 72 2HG GLU 72 21.915 20.172 8.545
593 H ASN 73 H ASN 73 20.846 22.393 8.181
594 HA ASN 73 HA ASN 73 20.372 21.838 10.986
595 HB2 ASN 73 1HB ASN 73 22.592 22.590 10.273
596 HB3 ASN 73 2HB ASN 73 21.898 24.083 9.647
597 HD21 ASN 73 2HD2 ASN 73 21.697 25.766 10.970
598 HD22 ASN 73 1HD2 ASN 73 21.973 25.731 12.675
599 H LYS 74 H LYS 74 19.129 23.889 8.499
600 HA LYS 74 HA LYS 74 17.889 25.773 10.295
601 HB2 LYS 74 1HB LYS 74 17.857 25.329 7.329
602 HB3 LYS 74 2HB LYS 74 16.660 26.383 8.070
603 HG2 LYS 74 1HG LYS 74 19.644 26.712 8.304
604 HG3 LYS 74 2HG LYS 74 18.594 27.618 7.211
605 HD2 LYS 74 1HD LYS 74 18.445 27.614 10.226
606 HD3 LYS 74 2HD LYS 74 19.091 28.911 9.219
607 HE2 LYS 74 1HE LYS 74 17.004 29.742 9.434
608 HE3 LYS 74 2HE LYS 74 16.656 28.630 8.111
609 HZ1 LYS 74 3HZ LYS 74 15.369 27.389 9.417
610 HZ2 LYS 74 1HZ LYS 74 15.393 28.679 10.512
611 HZ3 LYS 74 2HZ LYS 74 16.478 27.395 10.694
612 H GLY 75 H GLY 75 17.094 22.720 8.915
613 HA2 GLY 75 1HA GLY 75 15.185 21.715 10.290
614 HA3 GLY 75 2HA GLY 75 14.264 23.073 9.662
615 H LYS 76 H LYS 76 16.347 22.275 7.271
616 HA LYS 76 HA LYS 76 14.273 20.893 5.789
617 HB2 LYS 76 1HB LYS 76 17.026 21.584 4.779
618 HB3 LYS 76 2HB LYS 76 15.555 21.340 3.846
619 HG2 LYS 76 1HG LYS 76 16.016 23.623 5.755
620 HG3 LYS 76 2HG LYS 76 16.235 23.705 4.005
621 HD2 LYS 76 1HD LYS 76 13.638 22.875 5.278
622 HD3 LYS 76 2HD LYS 76 14.024 24.560 4.918
623 HE2 LYS 76 1HE LYS 76 14.314 23.993 2.561
624 HE3 LYS 76 2HE LYS 76 13.958 22.303 2.915
625 HZ1 LYS 76 3HZ LYS 76 12.114 23.957 2.071
626 HZ2 LYS 76 1HZ LYS 76 11.987 24.305 3.722
627 HZ3 LYS 76 2HZ LYS 76 11.756 22.723 3.172
628 H LEU 77 H LEU 77 16.287 19.784 7.969
629 HA LEU 77 HA LEU 77 17.831 17.782 6.796
630 HB2 LEU 77 1HB LEU 77 18.215 18.276 9.062
631 HB3 LEU 77 2HB LEU 77 16.524 18.023 9.487
632 HG LEU 77 HG LEU 77 17.882 15.643 8.435
633 HD11 LEU 77 1HD1 LEU 77 18.637 16.594 11.184
634 HD12 LEU 77 2HD1 LEU 77 19.666 16.841 9.774
635 HD13 LEU 77 3HD1 LEU 77 19.261 15.205 10.293
636 HD21 LEU 77 3HD2 LEU 77 16.744 15.395 11.047
637 HD22 LEU 77 1HD2 LEU 77 16.193 14.702 9.522
638 HD23 LEU 77 2HD2 LEU 77 15.645 16.306 10.010
639 H ASP 78 H ASP 78 14.435 17.802 7.729
640 HA ASP 78 HA ASP 78 13.832 15.109 7.510
641 HB2 ASP 78 1HB ASP 78 11.526 16.009 6.716
642 HB3 ASP 78 2HB ASP 78 12.094 16.428 8.330
643 H SER 79 H SER 79 13.932 17.574 4.962
644 HA SER 79 HA SER 79 13.153 15.776 2.886
645 HB2 SER 79 1HB SER 79 12.741 18.143 2.609
646 HB3 SER 79 2HB SER 79 14.457 18.506 2.792
647 HG SER 79 HG SER 79 13.509 16.807 0.745
648 H LEU 80 H LEU 80 16.263 17.216 3.842
649 HA LEU 80 HA LEU 80 17.875 16.064 1.902
650 HB2 LEU 80 1HB LEU 80 18.273 17.178 4.598
651 HB3 LEU 80 2HB LEU 80 19.537 16.086 4.036
652 HG LEU 80 HG LEU 80 19.981 18.515 3.638
653 HD11 LEU 80 1HD1 LEU 80 21.366 17.532 2.200
654 HD12 LEU 80 2HD1 LEU 80 20.167 17.890 0.957
655 HD13 LEU 80 3HD1 LEU 80 20.168 16.316 1.752
656 HD21 LEU 80 3HD2 LEU 80 18.605 19.836 2.465
657 HD22 LEU 80 1HD2 LEU 80 17.384 18.607 2.798
658 HD23 LEU 80 2HD2 LEU 80 18.265 18.584 1.270
659 H LEU 81 H LEU 81 16.789 14.744 4.994
660 HA LEU 81 HA LEU 81 18.329 12.345 4.776
661 HB2 LEU 81 1HB LEU 81 16.317 13.459 6.617
662 HB3 LEU 81 2HB LEU 81 16.370 11.700 6.525
663 HG LEU 81 HG LEU 81 17.717 12.707 8.376
664 HD11 LEU 81 1HD1 LEU 81 19.112 10.952 8.301
665 HD12 LEU 81 2HD1 LEU 81 19.741 11.387 6.712
666 HD13 LEU 81 3HD1 LEU 81 18.210 10.523 6.847
667 HD21 LEU 81 3HD2 LEU 81 19.376 14.181 8.034
668 HD22 LEU 81 1HD2 LEU 81 18.541 14.503 6.515
669 HD23 LEU 81 2HD2 LEU 81 19.910 13.392 6.550
670 H GLN 82 H GLN 82 14.926 13.178 4.216
671 HA GLN 82 HA GLN 82 14.030 10.606 3.553
672 HB2 GLN 82 1HB GLN 82 13.054 13.376 2.989
673 HB3 GLN 82 2HB GLN 82 12.303 12.019 2.160
674 HG2 GLN 82 1HG GLN 82 12.579 12.155 5.147
675 HG3 GLN 82 2HG GLN 82 11.184 12.792 4.277
676 HE21 GLN 82 2HE2 GLN 82 12.893 9.945 5.268
677 HE22 GLN 82 1HE2 GLN 82 11.658 8.809 4.858
678 H ASP 83 H ASP 83 15.876 12.917 1.770
679 HA ASP 83 HA ASP 83 15.367 11.656 -0.793
680 HB2 ASP 83 1HB ASP 83 16.864 14.059 0.143
681 HB3 ASP 83 2HB ASP 83 17.348 13.329 -1.385
682 H VAL 84 H VAL 84 18.296 12.302 1.145
683 HA VAL 84 HA VAL 84 20.027 10.659 -0.285
684 HB VAL 84 HB VAL 84 21.459 10.646 1.701
685 HG11 VAL 84 1HG1 VAL 84 21.712 12.597 0.452
686 HG12 VAL 84 2HG1 VAL 84 20.125 13.214 0.917
687 HG13 VAL 84 3HG1 VAL 84 21.442 13.188 2.091
688 HG21 VAL 84 3HG2 VAL 84 20.081 12.287 3.506
689 HG22 VAL 84 1HG2 VAL 84 18.950 11.012 3.052
690 HG23 VAL 84 2HG2 VAL 84 20.529 10.595 3.720
691 H HIS 85 H HIS 85 17.588 9.854 2.041
692 HA HIS 85 HA HIS 85 18.444 7.406 2.998
693 HB2 HIS 85 1HB HIS 85 16.444 8.411 3.872
694 HB3 HIS 85 2HB HIS 85 15.657 8.340 2.299
695 HD1 HIS 85 HD1 HIS 85 17.442 5.562 4.181
696 HD2 HIS 85 HD2 HIS 85 13.686 6.518 2.685
697 HE1 HIS 85 HE1 HIS 85 16.027 3.518 4.561
Start of MODEL 7
1 H1 GLY -3 H GLY -3 3.036 0.985 -6.188
2 HA2 GLY -3 1HA GLY -3 5.250 -0.634 -5.839
3 HA3 GLY -3 2HA GLY -3 5.323 1.113 -6.015
4 HA PRO -2 HA PRO -2 5.111 0.244 -1.257
5 HB2 PRO -2 1HB PRO -2 5.385 -2.346 -0.489
6 HB3 PRO -2 2HB PRO -2 3.815 -1.602 -0.816
7 HG2 PRO -2 1HG PRO -2 5.483 -3.356 -2.576
8 HG3 PRO -2 2HG PRO -2 3.732 -3.391 -2.298
9 HD2 PRO -2 1HD PRO -2 4.836 -2.255 -4.494
10 HD3 PRO -2 2HD PRO -2 3.339 -1.650 -3.756
11 H GLY -1 H GLY -1 7.099 1.186 -1.079
12 HA2 GLY -1 1HA GLY -1 9.264 0.852 -0.066
13 HA3 GLY -1 2HA GLY -1 9.393 -0.660 -0.953
14 H SER 0 H SER 0 9.775 2.785 -1.078
15 HA SER 0 HA SER 0 11.311 2.480 -3.553
16 HB2 SER 0 1HB SER 0 9.085 3.291 -4.224
17 HB3 SER 0 2HB SER 0 9.241 4.646 -3.107
18 HG SER 0 HG SER 0 10.552 4.174 -5.537
19 H MET 1 H MET 1 13.293 3.187 -3.165
20 HA MET 1 HA MET 1 13.654 5.386 -1.239
21 HB2 MET 1 1HB MET 1 15.525 3.135 -1.990
22 HB3 MET 1 2HB MET 1 15.974 4.488 -0.960
23 HG2 MET 1 1HG MET 1 14.478 3.820 0.736
24 HG3 MET 1 2HG MET 1 13.674 2.667 -0.327
25 HE1 MET 1 3HE MET 1 14.187 0.692 -0.914
26 HE2 MET 1 1HE MET 1 15.774 -0.080 -0.942
27 HE3 MET 1 2HE MET 1 14.700 -0.322 0.436
28 H LYS 2 H LYS 2 15.291 6.954 -1.685
29 HA LYS 2 HA LYS 2 15.641 7.400 -4.561
30 HB2 LYS 2 1HB LYS 2 15.419 9.152 -2.179
31 HB3 LYS 2 2HB LYS 2 16.494 9.705 -3.457
32 HG2 LYS 2 1HG LYS 2 14.585 10.665 -4.190
33 HG3 LYS 2 2HG LYS 2 14.381 9.086 -4.952
34 HD2 LYS 2 1HD LYS 2 13.360 9.441 -2.183
35 HD3 LYS 2 2HD LYS 2 12.463 10.203 -3.499
36 HE2 LYS 2 1HE LYS 2 12.789 7.791 -4.578
37 HE3 LYS 2 2HE LYS 2 12.868 7.330 -2.879
38 HZ1 LYS 2 3HZ LYS 2 10.726 8.272 -2.501
39 HZ2 LYS 2 1HZ LYS 2 10.605 7.249 -3.844
40 HZ3 LYS 2 2HZ LYS 2 10.663 8.925 -4.061
41 H GLU 3 H GLU 3 17.751 8.806 -4.959
42 HA GLU 3 HA GLU 3 20.003 7.555 -3.544
43 HB2 GLU 3 1HB GLU 3 21.150 7.065 -5.566
44 HB3 GLU 3 2HB GLU 3 19.520 6.435 -5.756
45 HG2 GLU 3 1HG GLU 3 18.978 8.604 -6.951
46 HG3 GLU 3 2HG GLU 3 20.717 8.894 -6.987
47 H ILE 4 H ILE 4 21.865 8.798 -3.368
48 HA ILE 4 HA ILE 4 21.549 11.624 -4.147
49 HB ILE 4 HB ILE 4 21.539 11.113 -1.670
50 HG12 ILE 4 1HG1 ILE 4 22.336 13.289 -2.925
51 HG13 ILE 4 2HG1 ILE 4 22.559 13.128 -1.186
52 HG21 ILE 4 1HG2 ILE 4 24.431 10.468 -2.225
53 HG22 ILE 4 2HG2 ILE 4 23.729 10.691 -0.623
54 HG23 ILE 4 3HG2 ILE 4 23.198 9.352 -1.640
55 HD11 ILE 4 3HD1 ILE 4 24.740 12.221 -2.987
56 HD12 ILE 4 1HD1 ILE 4 24.499 13.951 -2.743
57 HD13 ILE 4 2HD1 ILE 4 24.821 12.901 -1.362
58 H ILE 5 H ILE 5 23.176 12.629 -5.213
59 HA ILE 5 HA ILE 5 25.664 11.119 -5.654
60 HB ILE 5 HB ILE 5 24.421 12.790 -7.820
61 HG12 ILE 5 1HG1 ILE 5 24.028 9.829 -7.337
62 HG13 ILE 5 2HG1 ILE 5 22.782 11.070 -7.250
63 HG21 ILE 5 1HG2 ILE 5 25.865 11.473 -9.268
64 HG22 ILE 5 2HG2 ILE 5 26.803 12.247 -7.992
65 HG23 ILE 5 3HG2 ILE 5 26.416 10.530 -7.883
66 HD11 ILE 5 3HD1 ILE 5 23.106 11.522 -9.644
67 HD12 ILE 5 1HD1 ILE 5 24.291 10.218 -9.709
68 HD13 ILE 5 2HD1 ILE 5 22.607 9.861 -9.323
69 H LEU 6 H LEU 6 27.538 12.350 -5.982
70 HA LEU 6 HA LEU 6 27.275 15.226 -5.404
71 HB2 LEU 6 1HB LEU 6 29.696 14.689 -4.373
72 HB3 LEU 6 2HB LEU 6 28.206 14.689 -3.432
73 HG LEU 6 HG LEU 6 28.954 12.114 -4.668
74 HD11 LEU 6 1HD1 LEU 6 31.094 13.266 -3.774
75 HD12 LEU 6 2HD1 LEU 6 30.745 11.604 -3.300
76 HD13 LEU 6 3HD1 LEU 6 30.407 12.928 -2.185
77 HD21 LEU 6 3HD2 LEU 6 27.437 13.153 -2.414
78 HD22 LEU 6 1HD2 LEU 6 28.468 11.791 -1.976
79 HD23 LEU 6 2HD2 LEU 6 27.285 11.619 -3.273
80 H TYR 7 H TYR 7 27.927 16.346 -7.108
81 HA TYR 7 HA TYR 7 29.934 15.208 -8.906
82 HB2 TYR 7 1HB TYR 7 28.109 17.599 -9.222
83 HB3 TYR 7 2HB TYR 7 29.258 17.050 -10.437
84 HD1 TYR 7 HD1 TYR 7 26.136 16.212 -8.664
85 HD2 TYR 7 HD2 TYR 7 28.779 15.167 -11.830
86 HE1 TYR 7 HE1 TYR 7 24.435 14.685 -9.571
87 HE2 TYR 7 HE2 TYR 7 27.085 13.637 -12.747
88 HH TYR 7 HH TYR 7 24.905 12.315 -11.446
89 H THR 8 H THR 8 31.979 15.698 -8.503
90 HA THR 8 HA THR 8 32.949 18.336 -8.435
91 HB THR 8 HB THR 8 31.954 18.263 -6.138
92 HG1 THR 8 HG1 THR 8 33.764 19.238 -5.223
93 HG21 THR 8 3HG2 THR 8 33.222 15.753 -6.050
94 HG22 THR 8 1HG2 THR 8 32.330 16.554 -4.757
95 HG23 THR 8 2HG2 THR 8 34.074 16.778 -4.895
96 H ARG 9 H ARG 9 35.338 18.276 -7.449
97 HA ARG 9 HA ARG 9 36.653 16.118 -8.876
98 HB2 ARG 9 1HB ARG 9 38.728 17.421 -8.379
99 HB3 ARG 9 2HB ARG 9 37.513 18.322 -9.275
100 HG2 ARG 9 1HG ARG 9 36.975 18.825 -6.580
101 HG3 ARG 9 2HG ARG 9 38.730 18.914 -6.744
102 HD2 ARG 9 1HD ARG 9 38.138 21.071 -7.260
103 HD3 ARG 9 2HD ARG 9 38.154 20.338 -8.863
104 HE ARG 9 HE ARG 9 35.910 20.727 -9.006
105 HH11 ARG 9 1HH1 ARG 9 36.855 20.853 -5.658
106 HH12 ARG 9 2HH1 ARG 9 35.299 21.373 -5.103
107 HH21 ARG 9 1HH2 ARG 9 33.857 21.412 -8.288
108 HH22 ARG 9 2HH2 ARG 9 33.593 21.690 -6.600
109 HA PRO 10 HA PRO 10 37.798 13.673 -5.418
110 HB2 PRO 10 1HB PRO 10 40.283 12.840 -6.126
111 HB3 PRO 10 2HB PRO 10 38.812 12.242 -6.903
112 HG2 PRO 10 1HG PRO 10 40.722 14.351 -7.833
113 HG3 PRO 10 2HG PRO 10 39.951 13.051 -8.761
114 HD2 PRO 10 1HD PRO 10 39.053 15.605 -8.808
115 HD3 PRO 10 2HD PRO 10 37.969 14.209 -8.975
116 H ASN 11 H ASN 11 39.667 16.436 -6.275
117 HA ASN 11 HA ASN 11 41.279 16.293 -3.844
118 HB2 ASN 11 1HB ASN 11 42.282 18.440 -4.798
119 HB3 ASN 11 2HB ASN 11 42.565 16.963 -5.714
120 HD21 ASN 11 2HD2 ASN 11 41.350 20.112 -5.777
121 HD22 ASN 11 1HD2 ASN 11 40.670 20.082 -7.365
122 H CYS 12 H CYS 12 38.472 16.616 -3.531
123 HA CYS 12 HA CYS 12 38.244 19.410 -2.641
124 HB2 CYS 12 1HB CYS 12 36.450 18.886 -4.106
125 HB3 CYS 12 2HB CYS 12 36.170 17.332 -3.327
126 HA PRO 13 HA PRO 13 38.912 17.309 1.343
127 HB2 PRO 13 1HB PRO 13 39.813 19.541 2.599
128 HB3 PRO 13 2HB PRO 13 40.847 18.523 1.590
129 HG2 PRO 13 1HG PRO 13 39.475 21.095 0.908
130 HG3 PRO 13 2HG PRO 13 41.124 20.569 0.520
131 HD2 PRO 13 1HD PRO 13 39.099 20.458 -1.274
132 HD3 PRO 13 2HD PRO 13 40.429 19.282 -1.261
133 H TYR 14 H TYR 14 37.174 20.247 0.541
134 HA TYR 14 HA TYR 14 35.838 20.499 3.050
135 HB2 TYR 14 1HB TYR 14 35.533 21.747 0.346
136 HB3 TYR 14 2HB TYR 14 34.252 21.947 1.536
137 HD1 TYR 14 HD1 TYR 14 37.861 22.535 0.925
138 HD2 TYR 14 HD2 TYR 14 34.461 23.511 3.289
139 HE1 TYR 14 HE1 TYR 14 39.114 24.386 1.951
140 HE2 TYR 14 HE2 TYR 14 35.704 25.366 4.321
141 HH TYR 14 HH TYR 14 38.003 26.045 4.718
142 H CYS 15 H CYS 15 35.519 18.322 0.530
143 HA CYS 15 HA CYS 15 32.678 17.970 0.582
144 HB2 CYS 15 1HB CYS 15 34.948 16.322 -0.526
145 HB3 CYS 15 2HB CYS 15 33.271 15.792 -0.614
146 H LYS 16 H LYS 16 35.309 16.892 2.510
147 HA LYS 16 HA LYS 16 34.532 14.464 3.502
148 HB2 LYS 16 1HB LYS 16 35.856 16.819 4.816
149 HB3 LYS 16 2HB LYS 16 35.508 15.360 5.735
150 HG2 LYS 16 1HG LYS 16 36.997 14.075 4.502
151 HG3 LYS 16 2HG LYS 16 37.015 15.215 3.154
152 HD2 LYS 16 1HD LYS 16 38.388 16.724 4.300
153 HD3 LYS 16 2HD LYS 16 38.041 15.989 5.867
154 HE2 LYS 16 1HE LYS 16 40.190 15.242 5.394
155 HE3 LYS 16 2HE LYS 16 39.175 13.893 4.884
156 HZ1 LYS 16 3HZ LYS 16 40.561 15.885 3.197
157 HZ2 LYS 16 1HZ LYS 16 39.278 14.960 2.597
158 HZ3 LYS 16 2HZ LYS 16 40.682 14.198 3.152
159 H ARG 17 H ARG 17 33.249 17.639 4.343
160 HA ARG 17 HA ARG 17 31.661 16.846 6.522
161 HB2 ARG 17 1HB ARG 17 31.567 19.156 4.610
162 HB3 ARG 17 2HB ARG 17 30.280 18.927 5.785
163 HG2 ARG 17 1HG ARG 17 31.860 19.081 7.605
164 HG3 ARG 17 2HG ARG 17 33.201 19.193 6.463
165 HD2 ARG 17 1HD ARG 17 32.486 21.317 5.694
166 HD3 ARG 17 2HD ARG 17 30.929 21.164 6.507
167 HE ARG 17 HE ARG 17 33.390 22.070 7.653
168 HH11 ARG 17 1HH1 ARG 17 30.359 20.499 8.337
169 HH12 ARG 17 2HH1 ARG 17 30.343 20.967 10.005
170 HH21 ARG 17 1HH2 ARG 17 33.380 22.692 9.847
171 HH22 ARG 17 2HH2 ARG 17 32.062 22.216 10.863
172 H ALA 18 H ALA 18 30.880 17.179 3.071
173 HA ALA 18 HA ALA 18 28.175 16.480 3.237
174 HB1 ALA 18 1HB ALA 18 29.449 15.554 0.796
175 HB2 ALA 18 2HB ALA 18 28.208 16.785 1.029
176 HB3 ALA 18 3HB ALA 18 29.911 17.202 1.221
177 H ARG 19 H ARG 19 30.926 14.415 2.279
178 HA ARG 19 HA ARG 19 29.561 12.016 2.088
179 HB2 ARG 19 1HB ARG 19 31.720 10.918 2.400
180 HB3 ARG 19 2HB ARG 19 31.881 12.320 1.350
181 HG2 ARG 19 1HG ARG 19 32.806 13.618 3.170
182 HG3 ARG 19 2HG ARG 19 32.568 12.269 4.281
183 HD2 ARG 19 1HD ARG 19 34.795 12.034 3.733
184 HD3 ARG 19 2HD ARG 19 34.025 10.958 2.569
185 HE ARG 19 HE ARG 19 34.176 13.348 1.272
186 HH11 ARG 19 1HH1 ARG 19 36.476 11.277 2.864
187 HH12 ARG 19 2HH1 ARG 19 37.798 11.743 1.845
188 HH21 ARG 19 1HH2 ARG 19 35.907 13.971 -0.076
189 HH22 ARG 19 2HH2 ARG 19 37.473 13.276 0.174
190 H ASP 20 H ASP 20 30.806 13.658 4.928
191 HA ASP 20 HA ASP 20 30.492 11.507 6.744
192 HB2 ASP 20 1HB ASP 20 31.914 13.273 7.428
193 HB3 ASP 20 2HB ASP 20 30.685 14.493 7.104
194 H LEU 21 H LEU 21 28.385 14.179 5.779
195 HA LEU 21 HA LEU 21 26.328 13.733 7.632
196 HB2 LEU 21 1HB LEU 21 26.600 15.749 6.199
197 HB3 LEU 21 2HB LEU 21 26.049 14.794 4.825
198 HG LEU 21 HG LEU 21 24.284 14.995 7.217
199 HD11 LEU 21 1HD1 LEU 21 25.082 17.240 5.477
200 HD12 LEU 21 2HD1 LEU 21 24.451 17.243 7.124
201 HD13 LEU 21 3HD1 LEU 21 23.352 17.044 5.760
202 HD21 LEU 21 3HD2 LEU 21 22.564 14.987 5.409
203 HD22 LEU 21 1HD2 LEU 21 23.581 13.546 5.449
204 HD23 LEU 21 2HD2 LEU 21 23.871 14.796 4.238
205 H LEU 22 H LEU 22 26.645 12.612 4.266
206 HA LEU 22 HA LEU 22 24.279 11.104 4.208
207 HB2 LEU 22 1HB LEU 22 26.730 10.343 2.665
208 HB3 LEU 22 2HB LEU 22 25.038 10.212 2.189
209 HG LEU 22 HG LEU 22 26.655 12.752 2.376
210 HD11 LEU 22 1HD1 LEU 22 26.468 12.823 -0.018
211 HD12 LEU 22 2HD1 LEU 22 25.476 11.365 -0.026
212 HD13 LEU 22 3HD1 LEU 22 27.171 11.276 0.454
213 HD21 LEU 22 3HD2 LEU 22 24.418 13.441 1.058
214 HD22 LEU 22 1HD2 LEU 22 24.619 13.632 2.800
215 HD23 LEU 22 2HD2 LEU 22 23.758 12.232 2.160
216 H ASP 23 H ASP 23 27.639 9.998 4.667
217 HA ASP 23 HA ASP 23 27.086 7.322 5.171
218 HB2 ASP 23 1HB ASP 23 29.357 8.448 4.831
219 HB3 ASP 23 2HB ASP 23 29.298 8.840 6.547
220 H LYS 24 H LYS 24 27.120 10.078 7.375
221 HA LYS 24 HA LYS 24 26.833 8.649 9.778
222 HB2 LYS 24 1HB LYS 24 27.471 11.006 9.727
223 HB3 LYS 24 2HB LYS 24 25.897 11.436 9.070
224 HG2 LYS 24 1HG LYS 24 24.866 11.288 11.071
225 HG3 LYS 24 2HG LYS 24 25.880 9.950 11.618
226 HD2 LYS 24 1HD LYS 24 27.537 11.347 12.393
227 HD3 LYS 24 2HD LYS 24 27.106 12.648 11.280
228 HE2 LYS 24 1HE LYS 24 26.430 13.418 13.388
229 HE3 LYS 24 2HE LYS 24 24.947 12.850 12.623
230 HZ1 LYS 24 3HZ LYS 24 24.728 11.818 14.604
231 HZ2 LYS 24 1HZ LYS 24 26.391 11.764 14.908
232 HZ3 LYS 24 2HZ LYS 24 25.686 10.640 13.859
233 H LYS 25 H LYS 25 24.455 9.899 7.486
234 HA LYS 25 HA LYS 25 22.180 9.223 9.060
235 HB2 LYS 25 1HB LYS 25 22.709 10.406 6.469
236 HB3 LYS 25 2HB LYS 25 21.375 9.263 6.381
237 HG2 LYS 25 1HG LYS 25 20.602 11.535 6.823
238 HG3 LYS 25 2HG LYS 25 20.213 10.442 8.154
239 HD2 LYS 25 1HD LYS 25 22.769 11.546 8.673
240 HD3 LYS 25 2HD LYS 25 21.700 12.874 8.213
241 HE2 LYS 25 1HE LYS 25 20.038 11.751 9.867
242 HE3 LYS 25 2HE LYS 25 21.480 10.965 10.507
243 HZ1 LYS 25 3HZ LYS 25 21.322 12.864 11.778
244 HZ2 LYS 25 1HZ LYS 25 20.784 13.826 10.495
245 HZ3 LYS 25 2HZ LYS 25 22.405 13.353 10.575
246 H GLY 26 H GLY 26 24.108 7.538 6.670
247 HA2 GLY 26 1HA GLY 26 24.255 5.173 6.589
248 HA3 GLY 26 2HA GLY 26 22.667 5.074 7.335
249 H VAL 27 H VAL 27 23.878 6.755 4.437
250 HA VAL 27 HA VAL 27 21.898 5.249 2.857
251 HB VAL 27 HB VAL 27 21.902 7.415 1.397
252 HG11 VAL 27 1HG1 VAL 27 20.433 7.174 4.018
253 HG12 VAL 27 2HG1 VAL 27 19.999 8.298 2.728
254 HG13 VAL 27 3HG1 VAL 27 19.918 6.558 2.448
255 HG21 VAL 27 3HG2 VAL 27 22.147 9.469 2.699
256 HG22 VAL 27 1HG2 VAL 27 22.657 8.525 4.099
257 HG23 VAL 27 2HG2 VAL 27 23.660 8.564 2.649
258 H LYS 28 H LYS 28 22.407 5.654 0.398
259 HA LYS 28 HA LYS 28 25.273 5.087 0.044
260 HB2 LYS 28 1HB LYS 28 22.805 4.015 -1.202
261 HB3 LYS 28 2HB LYS 28 24.192 4.219 -2.264
262 HG2 LYS 28 1HG LYS 28 24.547 2.819 0.342
263 HG3 LYS 28 2HG LYS 28 23.798 1.967 -1.010
264 HD2 LYS 28 1HD LYS 28 26.281 3.447 -1.617
265 HD3 LYS 28 2HD LYS 28 26.454 2.032 -0.577
266 HE2 LYS 28 1HE LYS 28 24.991 0.858 -2.373
267 HE3 LYS 28 2HE LYS 28 25.481 2.202 -3.402
268 HZ1 LYS 28 3HZ LYS 28 27.798 1.624 -2.965
269 HZ2 LYS 28 1HZ LYS 28 26.966 0.333 -3.674
270 HZ3 LYS 28 2HZ LYS 28 27.306 0.312 -2.017
271 H TYR 29 H TYR 29 26.422 6.665 -0.834
272 HA TYR 29 HA TYR 29 25.072 8.550 -2.651
273 HB2 TYR 29 1HB TYR 29 26.656 10.228 -1.981
274 HB3 TYR 29 2HB TYR 29 25.990 9.503 -0.522
275 HD1 TYR 29 HD2 TYR 29 28.968 9.700 -2.684
276 HD2 TYR 29 HD1 TYR 29 27.378 8.288 1.001
277 HE1 TYR 29 HE2 TYR 29 31.246 9.213 -1.894
278 HE2 TYR 29 HE1 TYR 29 29.651 7.798 1.801
279 HH TYR 29 HH TYR 29 32.246 7.511 -0.095
280 H THR 30 H THR 30 26.106 9.184 -4.556
281 HA THR 30 HA THR 30 28.278 7.389 -5.422
282 HB THR 30 HB THR 30 26.100 8.677 -7.078
283 HG1 THR 30 HG1 THR 30 25.557 6.441 -7.436
284 HG21 THR 30 3HG2 THR 30 27.169 7.099 -8.852
285 HG22 THR 30 1HG2 THR 30 28.605 7.221 -7.837
286 HG23 THR 30 2HG2 THR 30 27.898 8.674 -8.544
287 H ASP 31 H ASP 31 30.171 8.327 -5.772
288 HA ASP 31 HA ASP 31 30.363 11.216 -5.913
289 HB2 ASP 31 1HB ASP 31 31.980 10.163 -4.511
290 HB3 ASP 31 2HB ASP 31 32.425 9.016 -5.773
291 H ILE 32 H ILE 32 30.687 12.386 -7.700
292 HA ILE 32 HA ILE 32 31.248 10.938 -10.205
293 HB ILE 32 HB ILE 32 29.684 13.499 -9.860
294 HG12 ILE 32 1HG1 ILE 32 28.528 11.421 -9.079
295 HG13 ILE 32 2HG1 ILE 32 27.727 12.213 -10.432
296 HG21 ILE 32 1HG2 ILE 32 29.123 12.724 -12.350
297 HG22 ILE 32 2HG2 ILE 32 30.475 13.788 -11.965
298 HG23 ILE 32 3HG2 ILE 32 30.753 12.065 -12.217
299 HD11 ILE 32 3HD1 ILE 32 28.031 10.464 -11.789
300 HD12 ILE 32 1HD1 ILE 32 29.664 10.156 -11.199
301 HD13 ILE 32 2HD1 ILE 32 28.271 9.568 -10.290
302 H ASP 33 H ASP 33 33.147 11.370 -11.091
303 HA ASP 33 HA ASP 33 35.025 13.148 -10.125
304 HB2 ASP 33 1HB ASP 33 35.370 11.223 -11.756
305 HB3 ASP 33 2HB ASP 33 34.865 12.334 -13.026
306 H ALA 34 H ALA 34 35.675 15.213 -10.629
307 HA ALA 34 HA ALA 34 33.703 17.066 -11.373
308 HB1 ALA 34 1HB ALA 34 35.213 18.231 -10.205
309 HB2 ALA 34 2HB ALA 34 36.532 17.146 -10.647
310 HB3 ALA 34 3HB ALA 34 36.040 18.431 -11.750
311 H SER 35 H SER 35 35.747 15.105 -13.273
312 HA SER 35 HA SER 35 36.266 16.596 -15.528
313 HB2 SER 35 1HB SER 35 36.844 14.123 -14.977
314 HB3 SER 35 2HB SER 35 35.314 13.753 -15.772
315 HG SER 35 HG SER 35 37.673 14.293 -16.887
316 H THR 36 H THR 36 34.846 17.928 -16.460
317 HA THR 36 HA THR 36 32.069 17.632 -16.518
318 HB THR 36 HB THR 36 32.000 19.428 -18.085
319 HG1 THR 36 HG1 THR 36 33.428 18.821 -19.663
320 HG21 THR 36 3HG2 THR 36 32.775 20.890 -16.590
321 HG22 THR 36 1HG2 THR 36 34.443 20.449 -16.951
322 HG23 THR 36 2HG2 THR 36 33.533 19.543 -15.742
323 H SER 37 H SER 37 34.533 16.256 -18.523
324 HA SER 37 HA SER 37 33.229 15.730 -20.886
325 HB2 SER 37 1HB SER 37 34.681 13.714 -21.061
326 HB3 SER 37 2HB SER 37 35.568 15.155 -20.566
327 HG SER 37 HG SER 37 36.116 14.118 -18.837
328 H LEU 38 H LEU 38 32.785 14.221 -17.768
329 HA LEU 38 HA LEU 38 30.642 12.566 -18.930
330 HB2 LEU 38 1HB LEU 38 32.775 11.912 -16.982
331 HB3 LEU 38 2HB LEU 38 31.182 11.219 -16.688
332 HG LEU 38 HG LEU 38 32.681 9.685 -17.892
333 HD11 LEU 38 1HD1 LEU 38 31.115 9.023 -19.591
334 HD12 LEU 38 2HD1 LEU 38 30.392 10.631 -19.608
335 HD13 LEU 38 3HD1 LEU 38 30.224 9.604 -18.184
336 HD21 LEU 38 3HD2 LEU 38 33.774 10.191 -19.800
337 HD22 LEU 38 1HD2 LEU 38 33.609 11.842 -19.202
338 HD23 LEU 38 2HD2 LEU 38 32.474 11.221 -20.401
339 H ARG 39 H ARG 39 31.712 14.559 -16.250
340 HA ARG 39 HA ARG 39 29.465 14.257 -14.588
341 HB2 ARG 39 1HB ARG 39 31.418 15.239 -13.655
342 HB3 ARG 39 2HB ARG 39 31.475 16.481 -14.899
343 HG2 ARG 39 1HG ARG 39 29.001 16.499 -13.356
344 HG3 ARG 39 2HG ARG 39 30.447 16.785 -12.386
345 HD2 ARG 39 1HD ARG 39 30.024 18.245 -14.965
346 HD3 ARG 39 2HD ARG 39 29.240 18.796 -13.485
347 HE ARG 39 HE ARG 39 31.883 18.487 -12.825
348 HH11 ARG 39 1HH1 ARG 39 30.095 20.320 -15.184
349 HH12 ARG 39 2HH1 ARG 39 31.241 21.619 -15.235
350 HH21 ARG 39 1HH2 ARG 39 33.399 20.190 -12.883
351 HH22 ARG 39 2HH2 ARG 39 33.120 21.543 -13.927
352 H GLN 40 H GLN 40 30.173 16.553 -17.189
353 HA GLN 40 HA GLN 40 27.927 18.191 -16.896
354 HB2 GLN 40 1HB GLN 40 29.881 18.713 -18.331
355 HB3 GLN 40 2HB GLN 40 29.354 17.474 -19.462
356 HG2 GLN 40 1HG GLN 40 27.137 18.837 -19.493
357 HG3 GLN 40 2HG GLN 40 28.155 20.138 -18.879
358 HE21 GLN 40 2HE2 GLN 40 30.434 19.959 -20.180
359 HE22 GLN 40 1HE2 GLN 40 30.216 20.087 -21.889
360 H GLU 41 H GLU 41 28.376 15.201 -18.734
361 HA GLU 41 HA GLU 41 25.824 15.216 -19.961
362 HB2 GLU 41 1HB GLU 41 27.364 12.712 -19.333
363 HB3 GLU 41 2HB GLU 41 26.319 13.041 -20.707
364 HG2 GLU 41 1HG GLU 41 29.072 14.127 -20.192
365 HG3 GLU 41 2HG GLU 41 28.559 13.045 -21.485
366 H MET 42 H MET 42 27.070 13.646 -17.033
367 HA MET 42 HA MET 42 24.697 12.286 -16.359
368 HB2 MET 42 1HB MET 42 27.038 13.212 -14.699
369 HB3 MET 42 2HB MET 42 25.708 12.281 -14.026
370 HG2 MET 42 1HG MET 42 26.664 10.990 -16.386
371 HG3 MET 42 2HG MET 42 28.019 11.336 -15.313
372 HE1 MET 42 3HE MET 42 28.751 9.855 -13.587
373 HE2 MET 42 1HE MET 42 28.005 8.287 -13.275
374 HE3 MET 42 2HE MET 42 28.535 8.703 -14.905
375 H VAL 43 H VAL 43 26.012 15.381 -15.182
376 HA VAL 43 HA VAL 43 23.839 16.015 -13.508
377 HB VAL 43 HB VAL 43 26.122 17.101 -13.483
378 HG11 VAL 43 1HG1 VAL 43 26.269 17.570 -15.884
379 HG12 VAL 43 2HG1 VAL 43 24.944 18.726 -15.736
380 HG13 VAL 43 3HG1 VAL 43 26.478 19.032 -14.921
381 HG21 VAL 43 3HG2 VAL 43 23.538 18.200 -12.933
382 HG22 VAL 43 1HG2 VAL 43 25.058 18.444 -12.071
383 HG23 VAL 43 2HG2 VAL 43 24.633 19.492 -13.425
384 H GLN 44 H GLN 44 24.374 16.437 -16.930
385 HA GLN 44 HA GLN 44 22.270 18.314 -17.355
386 HB2 GLN 44 1HB GLN 44 23.816 18.367 -19.071
387 HB3 GLN 44 2HB GLN 44 24.000 16.618 -19.101
388 HG2 GLN 44 1HG GLN 44 22.246 16.314 -20.501
389 HG3 GLN 44 2HG GLN 44 21.362 17.705 -19.876
390 HE21 GLN 44 2HE2 GLN 44 21.089 17.794 -22.332
391 HE22 GLN 44 1HE2 GLN 44 22.222 18.785 -23.179
392 H ARG 45 H ARG 45 22.551 14.799 -17.767
393 HA ARG 45 HA ARG 45 19.804 14.526 -18.577
394 HB2 ARG 45 1HB ARG 45 21.826 13.020 -19.196
395 HB3 ARG 45 2HB ARG 45 21.534 12.257 -17.639
396 HG2 ARG 45 1HG ARG 45 20.371 10.923 -19.140
397 HG3 ARG 45 2HG ARG 45 19.122 11.966 -18.456
398 HD2 ARG 45 1HD ARG 45 19.044 13.312 -20.388
399 HD3 ARG 45 2HD ARG 45 20.555 12.647 -21.007
400 HE ARG 45 HE ARG 45 17.935 11.562 -21.347
401 HH11 ARG 45 1HH1 ARG 45 21.308 10.742 -21.080
402 HH12 ARG 45 2HH1 ARG 45 21.154 9.265 -21.972
403 HH21 ARG 45 1HH2 ARG 45 17.719 9.619 -22.522
404 HH22 ARG 45 2HH2 ARG 45 19.112 8.628 -22.792
405 H ALA 46 H ALA 46 21.405 14.843 -15.621
406 HA ALA 46 HA ALA 46 19.434 13.334 -14.098
407 HB1 ALA 46 1HB ALA 46 21.875 14.886 -13.256
408 HB2 ALA 46 2HB ALA 46 20.792 14.061 -12.135
409 HB3 ALA 46 3HB ALA 46 21.692 13.134 -13.336
410 H ASN 47 H ASN 47 20.442 16.683 -14.619
411 HA ASN 47 HA ASN 47 18.152 17.601 -13.028
412 HB2 ASN 47 1HB ASN 47 19.804 18.923 -12.215
413 HB3 ASN 47 2HB ASN 47 20.818 18.699 -13.637
414 HD21 ASN 47 2HD2 ASN 47 21.066 20.379 -14.920
415 HD22 ASN 47 1HD2 ASN 47 20.042 21.769 -14.981
416 H GLY 48 H GLY 48 19.747 18.148 -16.162
417 HA2 GLY 48 1HA GLY 48 17.922 18.030 -17.992
418 HA3 GLY 48 2HA GLY 48 17.281 19.423 -17.134
419 H ARG 49 H ARG 49 19.726 20.689 -16.511
420 HA ARG 49 HA ARG 49 21.299 21.052 -18.864
421 HB2 ARG 49 1HB ARG 49 19.311 22.235 -19.622
422 HB3 ARG 49 2HB ARG 49 19.294 23.198 -18.151
423 HG2 ARG 49 1HG ARG 49 21.599 24.020 -18.860
424 HG3 ARG 49 2HG ARG 49 21.231 23.313 -20.435
425 HD2 ARG 49 1HD ARG 49 19.489 25.333 -19.030
426 HD3 ARG 49 2HD ARG 49 20.698 25.743 -20.247
427 HE ARG 49 HE ARG 49 18.105 24.584 -20.697
428 HH11 ARG 49 1HH1 ARG 49 21.320 25.000 -21.964
429 HH12 ARG 49 2HH1 ARG 49 20.843 24.759 -23.612
430 HH21 ARG 49 1HH2 ARG 49 17.464 24.265 -22.863
431 HH22 ARG 49 2HH2 ARG 49 18.649 24.342 -24.122
432 H ASN 50 H ASN 50 22.975 20.744 -17.373
433 HA ASN 50 HA ASN 50 23.723 23.157 -15.932
434 HB2 ASN 50 1HB ASN 50 23.021 20.578 -14.631
435 HB3 ASN 50 2HB ASN 50 24.438 21.423 -14.015
436 HD21 ASN 50 2HD2 ASN 50 22.315 21.036 -12.390
437 HD22 ASN 50 1HD2 ASN 50 21.506 22.533 -12.092
438 H THR 51 H THR 51 25.936 23.395 -15.649
439 HA THR 51 HA THR 51 27.686 21.234 -16.548
440 HB THR 51 HB THR 51 27.276 22.517 -18.580
441 HG1 THR 51 HG1 THR 51 29.468 21.741 -17.980
442 HG21 THR 51 3HG2 THR 51 27.393 24.790 -18.762
443 HG22 THR 51 1HG2 THR 51 28.602 24.941 -17.487
444 HG23 THR 51 2HG2 THR 51 26.909 24.677 -17.070
445 H PHE 52 H PHE 52 27.437 21.945 -13.959
446 HA PHE 52 HA PHE 52 30.072 23.010 -13.380
447 HB2 PHE 52 1HB PHE 52 29.174 24.599 -11.671
448 HB3 PHE 52 2HB PHE 52 28.785 25.048 -13.328
449 HD1 PHE 52 HD2 PHE 52 27.434 23.644 -10.206
450 HD2 PHE 52 HD1 PHE 52 26.539 25.151 -14.085
451 HE1 PHE 52 HE2 PHE 52 25.049 23.747 -9.613
452 HE2 PHE 52 HE1 PHE 52 24.153 25.258 -13.497
453 HZ PHE 52 HZ PHE 52 23.404 24.554 -11.259
454 HA PRO 53 HA PRO 53 29.977 19.978 -10.207
455 HB2 PRO 53 1HB PRO 53 31.682 21.073 -8.400
456 HB3 PRO 53 2HB PRO 53 32.223 20.377 -9.932
457 HG2 PRO 53 1HG PRO 53 31.759 23.246 -9.214
458 HG3 PRO 53 2HG PRO 53 33.093 22.524 -10.132
459 HD2 PRO 53 1HD PRO 53 31.014 23.781 -11.328
460 HD3 PRO 53 2HD PRO 53 31.861 22.412 -12.077
461 H GLN 54 H GLN 54 28.733 19.484 -8.489
462 HA GLN 54 HA GLN 54 28.181 21.162 -6.314
463 HB2 GLN 54 1HB GLN 54 26.166 22.154 -6.749
464 HB3 GLN 54 2HB GLN 54 26.847 22.172 -8.370
465 HG2 GLN 54 1HG GLN 54 24.833 20.240 -7.256
466 HG3 GLN 54 2HG GLN 54 24.587 21.446 -8.517
467 HE21 GLN 54 2HE2 GLN 54 24.331 18.454 -8.414
468 HE22 GLN 54 1HE2 GLN 54 25.240 17.897 -9.773
469 H ILE 55 H ILE 55 26.051 20.326 -5.157
470 HA ILE 55 HA ILE 55 26.317 17.415 -5.101
471 HB ILE 55 HB ILE 55 24.813 19.149 -3.144
472 HG12 ILE 55 1HG1 ILE 55 27.085 18.437 -1.835
473 HG13 ILE 55 2HG1 ILE 55 27.707 18.642 -3.469
474 HG21 ILE 55 1HG2 ILE 55 25.486 16.283 -3.345
475 HG22 ILE 55 2HG2 ILE 55 25.649 17.014 -1.749
476 HG23 ILE 55 3HG2 ILE 55 24.102 17.076 -2.593
477 HD11 ILE 55 3HD1 ILE 55 26.097 20.723 -2.016
478 HD12 ILE 55 1HD1 ILE 55 27.859 20.664 -2.031
479 HD13 ILE 55 2HD1 ILE 55 26.972 20.906 -3.536
480 H PHE 56 H PHE 56 24.747 16.053 -5.707
481 HA PHE 56 HA PHE 56 22.149 17.217 -6.467
482 HB2 PHE 56 1HB PHE 56 23.908 15.960 -8.128
483 HB3 PHE 56 2HB PHE 56 22.884 14.614 -7.639
484 HD1 PHE 56 HD1 PHE 56 20.279 15.202 -7.702
485 HD2 PHE 56 HD2 PHE 56 23.302 17.117 -10.006
486 HE1 PHE 56 HE1 PHE 56 18.583 15.896 -9.344
487 HE2 PHE 56 HE2 PHE 56 21.611 17.815 -11.651
488 HZ PHE 56 HZ PHE 56 19.248 17.205 -11.321
489 H ILE 57 H ILE 57 20.274 16.183 -5.869
490 HA ILE 57 HA ILE 57 20.500 13.733 -4.277
491 HB ILE 57 HB ILE 57 18.757 14.779 -2.698
492 HG12 ILE 57 1HG1 ILE 57 18.690 16.843 -4.344
493 HG13 ILE 57 2HG1 ILE 57 18.491 17.067 -2.610
494 HG21 ILE 57 1HG2 ILE 57 21.685 15.375 -2.755
495 HG22 ILE 57 2HG2 ILE 57 20.679 15.997 -1.447
496 HG23 ILE 57 3HG2 ILE 57 20.788 14.259 -1.725
497 HD11 ILE 57 3HD1 ILE 57 21.228 17.221 -3.751
498 HD12 ILE 57 1HD1 ILE 57 20.121 18.570 -4.010
499 HD13 ILE 57 2HD1 ILE 57 20.526 18.064 -2.369
500 H GLY 58 H GLY 58 19.319 12.353 -5.452
501 HA2 GLY 58 1HA GLY 58 17.485 11.398 -6.450
502 HA3 GLY 58 2HA GLY 58 16.515 12.602 -5.615
503 H ASP 59 H ASP 59 15.951 14.513 -6.668
504 HA ASP 59 HA ASP 59 16.669 14.689 -9.513
505 HB2 ASP 59 1HB ASP 59 13.875 15.018 -8.398
506 HB3 ASP 59 2HB ASP 59 14.347 15.243 -10.080
507 H TYR 60 H TYR 60 17.442 16.128 -6.992
508 HA TYR 60 HA TYR 60 16.856 18.837 -7.971
509 HB2 TYR 60 1HB TYR 60 15.446 18.620 -6.061
510 HB3 TYR 60 2HB TYR 60 16.721 17.854 -5.121
511 HD1 TYR 60 HD2 TYR 60 15.683 21.060 -6.667
512 HD2 TYR 60 HD1 TYR 60 18.223 19.145 -3.842
513 HE1 TYR 60 HE2 TYR 60 16.331 23.256 -5.769
514 HE2 TYR 60 HE1 TYR 60 18.877 21.336 -2.935
515 HH TYR 60 HH TYR 60 17.225 24.205 -3.693
516 H HIS 61 H HIS 61 18.550 20.232 -7.982
517 HA HIS 61 HA HIS 61 21.136 19.157 -7.076
518 HB2 HIS 61 1HB HIS 61 22.114 20.775 -8.746
519 HB3 HIS 61 2HB HIS 61 21.169 19.463 -9.445
520 HD1 HIS 61 HD1 HIS 61 18.721 20.125 -10.280
521 HD2 HIS 61 HD2 HIS 61 21.246 23.297 -9.372
522 HE1 HIS 61 HE1 HIS 61 17.671 22.147 -11.345
523 H VAL 62 H VAL 62 21.921 20.062 -5.302
524 HA VAL 62 HA VAL 62 20.852 22.337 -4.060
525 HB VAL 62 HB VAL 62 23.539 21.013 -3.672
526 HG11 VAL 62 1HG1 VAL 62 22.910 22.269 -1.314
527 HG12 VAL 62 2HG1 VAL 62 24.071 22.848 -2.510
528 HG13 VAL 62 3HG1 VAL 62 22.411 23.447 -2.527
529 HG21 VAL 62 3HG2 VAL 62 22.238 19.405 -2.809
530 HG22 VAL 62 1HG2 VAL 62 22.003 20.516 -1.460
531 HG23 VAL 62 2HG2 VAL 62 20.818 20.450 -2.764
532 H GLY 63 H GLY 63 24.242 22.134 -5.122
533 HA2 GLY 63 1HA GLY 63 24.838 23.783 -6.962
534 HA3 GLY 63 2HA GLY 63 24.036 24.963 -5.936
535 H GLY 64 H GLY 64 24.959 24.304 -3.442
536 HA2 GLY 64 1HA GLY 64 27.893 24.465 -3.689
537 HA3 GLY 64 2HA GLY 64 27.013 25.650 -2.735
538 H CYS 65 H CYS 65 29.062 24.018 -1.710
539 HA CYS 65 HA CYS 65 28.003 21.752 -0.353
540 HB2 CYS 65 1HB CYS 65 30.444 23.331 0.457
541 HB3 CYS 65 2HB CYS 65 30.108 21.632 0.767
542 HG CYS 65 HG CYS 65 30.003 21.578 -2.342
543 H ASP 66 H ASP 66 28.916 25.005 0.782
544 HA ASP 66 HA ASP 66 28.088 24.734 3.421
545 HB2 ASP 66 1HB ASP 66 28.149 27.176 1.641
546 HB3 ASP 66 2HB ASP 66 27.848 27.240 3.376
547 H ASP 67 H ASP 67 26.226 25.132 0.536
548 HA ASP 67 HA ASP 67 23.851 26.152 1.677
549 HB2 ASP 67 1HB ASP 67 24.639 24.911 -0.887
550 HB3 ASP 67 2HB ASP 67 22.938 24.753 -0.460
551 H LEU 68 H LEU 68 24.907 22.837 0.961
552 HA LEU 68 HA LEU 68 22.540 21.607 1.939
553 HB2 LEU 68 1HB LEU 68 23.519 19.622 1.401
554 HB3 LEU 68 2HB LEU 68 24.460 20.715 0.387
555 HG LEU 68 HG LEU 68 26.086 20.711 2.457
556 HD11 LEU 68 1HD1 LEU 68 25.216 19.416 4.088
557 HD12 LEU 68 2HD1 LEU 68 25.968 18.123 3.153
558 HD13 LEU 68 3HD1 LEU 68 24.247 18.460 2.966
559 HD21 LEU 68 3HD2 LEU 68 25.949 19.365 -0.006
560 HD22 LEU 68 1HD2 LEU 68 26.506 18.183 1.178
561 HD23 LEU 68 2HD2 LEU 68 27.382 19.699 0.967
562 H TYR 69 H TYR 69 25.636 22.448 3.378
563 HA TYR 69 HA TYR 69 25.225 21.045 5.818
564 HB2 TYR 69 1HB TYR 69 27.021 23.424 5.306
565 HB3 TYR 69 2HB TYR 69 27.146 22.285 6.642
566 HD1 TYR 69 HD1 TYR 69 26.827 19.701 5.298
567 HD2 TYR 69 HD2 TYR 69 28.974 23.164 4.072
568 HE1 TYR 69 HE1 TYR 69 28.329 18.288 3.958
569 HE2 TYR 69 HE2 TYR 69 30.481 21.760 2.727
570 HH TYR 69 HH TYR 69 31.033 19.695 2.133
571 H ALA 70 H ALA 70 25.008 24.505 4.989
572 HA ALA 70 HA ALA 70 24.068 25.385 7.474
573 HB1 ALA 70 1HB ALA 70 23.430 27.418 6.355
574 HB2 ALA 70 2HB ALA 70 24.963 26.853 5.690
575 HB3 ALA 70 3HB ALA 70 23.468 26.612 4.787
576 H LEU 71 H LEU 71 22.238 24.623 4.511
577 HA LEU 71 HA LEU 71 19.685 25.088 5.515
578 HB2 LEU 71 1HB LEU 71 20.686 23.206 3.397
579 HB3 LEU 71 2HB LEU 71 18.971 23.396 3.758
580 HG LEU 71 HG LEU 71 20.758 25.659 2.878
581 HD11 LEU 71 1HD1 LEU 71 19.742 25.408 0.677
582 HD12 LEU 71 2HD1 LEU 71 18.882 23.970 1.229
583 HD13 LEU 71 3HD1 LEU 71 20.643 23.960 1.129
584 HD21 LEU 71 3HD2 LEU 71 19.022 26.912 3.465
585 HD22 LEU 71 1HD2 LEU 71 18.070 25.486 3.878
586 HD23 LEU 71 2HD2 LEU 71 18.071 26.096 2.223
587 H GLU 72 H GLU 72 21.546 22.058 5.442
588 HA GLU 72 HA GLU 72 19.644 20.387 6.590
589 HB2 GLU 72 1HB GLU 72 21.582 19.395 5.648
590 HB3 GLU 72 2HB GLU 72 22.655 20.342 6.668
591 HG2 GLU 72 1HG GLU 72 20.731 18.466 7.946
592 HG3 GLU 72 2HG GLU 72 22.184 17.824 7.182
593 H ASN 73 H ASN 73 22.006 22.522 8.118
594 HA ASN 73 HA ASN 73 21.302 21.691 10.782
595 HB2 ASN 73 1HB ASN 73 23.576 22.581 10.038
596 HB3 ASN 73 2HB ASN 73 22.835 24.179 10.031
597 HD21 ASN 73 2HD2 ASN 73 22.387 25.191 11.940
598 HD22 ASN 73 1HD2 ASN 73 22.904 24.590 13.475
599 H LYS 74 H LYS 74 20.111 23.946 8.502
600 HA LYS 74 HA LYS 74 18.897 25.715 10.433
601 HB2 LYS 74 1HB LYS 74 18.874 25.494 7.444
602 HB3 LYS 74 2HB LYS 74 17.676 26.495 8.253
603 HG2 LYS 74 1HG LYS 74 20.665 26.792 8.470
604 HG3 LYS 74 2HG LYS 74 19.580 27.816 7.526
605 HD2 LYS 74 1HD LYS 74 18.374 28.296 9.710
606 HD3 LYS 74 2HD LYS 74 19.750 27.540 10.518
607 HE2 LYS 74 1HE LYS 74 20.347 29.769 10.544
608 HE3 LYS 74 2HE LYS 74 21.155 29.196 9.086
609 HZ1 LYS 74 3HZ LYS 74 19.757 31.361 9.026
610 HZ2 LYS 74 1HZ LYS 74 18.441 30.307 8.889
611 HZ3 LYS 74 2HZ LYS 74 19.673 30.276 7.731
612 H GLY 75 H GLY 75 18.069 22.786 8.818
613 HA2 GLY 75 1HA GLY 75 16.108 21.774 10.184
614 HA3 GLY 75 2HA GLY 75 15.226 23.124 9.484
615 H LYS 76 H LYS 76 17.308 22.463 7.141
616 HA LYS 76 HA LYS 76 15.373 21.102 5.543
617 HB2 LYS 76 1HB LYS 76 17.625 22.685 5.066
618 HB3 LYS 76 2HB LYS 76 18.047 21.105 4.419
619 HG2 LYS 76 1HG LYS 76 17.078 22.390 2.665
620 HG3 LYS 76 2HG LYS 76 15.922 21.138 3.125
621 HD2 LYS 76 1HD LYS 76 14.552 22.679 4.266
622 HD3 LYS 76 2HD LYS 76 15.810 23.917 4.268
623 HE2 LYS 76 1HE LYS 76 14.622 22.856 1.721
624 HE3 LYS 76 2HE LYS 76 13.882 24.186 2.610
625 HZ1 LYS 76 3HZ LYS 76 15.232 25.332 1.201
626 HZ2 LYS 76 1HZ LYS 76 16.407 24.117 1.129
627 HZ3 LYS 76 2HZ LYS 76 16.312 25.122 2.486
628 H LEU 77 H LEU 77 17.517 19.993 7.814
629 HA LEU 77 HA LEU 77 18.757 17.771 6.802
630 HB2 LEU 77 1HB LEU 77 19.077 18.456 9.079
631 HB3 LEU 77 2HB LEU 77 17.389 18.126 9.462
632 HG LEU 77 HG LEU 77 18.674 15.744 8.482
633 HD11 LEU 77 1HD1 LEU 77 20.741 16.119 9.288
634 HD12 LEU 77 2HD1 LEU 77 19.994 15.710 10.831
635 HD13 LEU 77 3HD1 LEU 77 20.204 17.400 10.375
636 HD21 LEU 77 3HD2 LEU 77 17.401 14.801 10.075
637 HD22 LEU 77 1HD2 LEU 77 16.647 16.393 10.164
638 HD23 LEU 77 2HD2 LEU 77 17.912 15.952 11.311
639 H ASP 78 H ASP 78 15.384 18.067 7.834
640 HA ASP 78 HA ASP 78 14.606 15.411 7.606
641 HB2 ASP 78 1HB ASP 78 13.291 17.509 8.424
642 HB3 ASP 78 2HB ASP 78 12.779 17.630 6.743
643 H SER 79 H SER 79 14.500 17.962 5.126
644 HA SER 79 HA SER 79 13.503 16.332 3.060
645 HB2 SER 79 1HB SER 79 13.352 18.699 2.791
646 HB3 SER 79 2HB SER 79 15.088 18.903 3.017
647 HG SER 79 HG SER 79 13.670 18.187 0.767
648 H LEU 80 H LEU 80 16.832 17.352 3.801
649 HA LEU 80 HA LEU 80 18.135 16.033 1.738
650 HB2 LEU 80 1HB LEU 80 18.888 17.006 4.427
651 HB3 LEU 80 2HB LEU 80 19.974 15.837 3.679
652 HG LEU 80 HG LEU 80 20.567 18.267 3.363
653 HD11 LEU 80 1HD1 LEU 80 20.313 17.485 0.620
654 HD12 LEU 80 2HD1 LEU 80 20.721 16.082 1.608
655 HD13 LEU 80 3HD1 LEU 80 21.748 17.515 1.645
656 HD21 LEU 80 3HD2 LEU 80 17.987 18.675 2.814
657 HD22 LEU 80 1HD2 LEU 80 18.582 18.425 1.173
658 HD23 LEU 80 2HD2 LEU 80 19.273 19.701 2.176
659 H LEU 81 H LEU 81 16.944 14.801 4.798
660 HA LEU 81 HA LEU 81 18.259 12.282 4.655
661 HB2 LEU 81 1HB LEU 81 16.490 13.647 6.439
662 HB3 LEU 81 2HB LEU 81 15.877 12.021 6.146
663 HG LEU 81 HG LEU 81 18.489 11.500 6.668
664 HD11 LEU 81 1HD1 LEU 81 18.041 13.320 8.897
665 HD12 LEU 81 2HD1 LEU 81 18.292 14.148 7.361
666 HD13 LEU 81 3HD1 LEU 81 19.502 13.012 7.957
667 HD21 LEU 81 3HD2 LEU 81 17.705 10.865 8.925
668 HD22 LEU 81 1HD2 LEU 81 16.620 10.329 7.642
669 HD23 LEU 81 2HD2 LEU 81 16.201 11.736 8.619
670 H GLN 82 H GLN 82 14.888 13.260 4.030
671 HA GLN 82 HA GLN 82 13.992 10.766 3.125
672 HB2 GLN 82 1HB GLN 82 12.381 12.423 3.719
673 HB3 GLN 82 2HB GLN 82 13.033 13.567 2.552
674 HG2 GLN 82 1HG GLN 82 12.160 12.367 0.729
675 HG3 GLN 82 2HG GLN 82 11.818 10.953 1.725
676 HE21 GLN 82 2HE2 GLN 82 10.736 14.052 0.689
677 HE22 GLN 82 1HE2 GLN 82 9.178 13.998 1.432
678 H ASP 83 H ASP 83 15.876 13.213 1.576
679 HA ASP 83 HA ASP 83 15.382 12.265 -1.103
680 HB2 ASP 83 1HB ASP 83 17.348 14.257 0.035
681 HB3 ASP 83 2HB ASP 83 17.263 13.854 -1.678
682 H VAL 84 H VAL 84 18.299 12.404 0.952
683 HA VAL 84 HA VAL 84 19.862 10.726 -0.671
684 HB VAL 84 HB VAL 84 21.374 10.523 1.216
685 HG11 VAL 84 1HG1 VAL 84 22.046 12.576 0.708
686 HG12 VAL 84 2HG1 VAL 84 20.424 12.982 0.143
687 HG13 VAL 84 3HG1 VAL 84 20.861 13.239 1.833
688 HG21 VAL 84 3HG2 VAL 84 18.939 11.150 2.739
689 HG22 VAL 84 1HG2 VAL 84 20.353 10.198 3.195
690 HG23 VAL 84 2HG2 VAL 84 20.402 11.957 3.303
691 H HIS 85 H HIS 85 17.387 10.032 1.630
692 HA HIS 85 HA HIS 85 18.143 7.199 1.722
693 HB2 HIS 85 1HB HIS 85 17.658 8.341 3.870
694 HB3 HIS 85 2HB HIS 85 16.021 8.663 3.306
695 HD1 HIS 85 HD1 HIS 85 17.629 5.346 2.663
696 HD2 HIS 85 HD2 HIS 85 14.883 7.044 5.278
697 HE1 HIS 85 HE1 HIS 85 16.561 3.412 3.866
Start of MODEL 8
1 H1 GLY -3 H GLY -3 7.278 -7.027 -3.876
2 HA2 GLY -3 1HA GLY -3 9.781 -6.618 -2.413
3 HA3 GLY -3 2HA GLY -3 9.624 -6.892 -4.142
4 HA PRO -2 HA PRO -2 8.516 -2.241 -3.305
5 HB2 PRO -2 1HB PRO -2 9.245 -1.282 -0.872
6 HB3 PRO -2 2HB PRO -2 7.650 -1.973 -1.194
7 HG2 PRO -2 1HG PRO -2 10.040 -3.240 0.089
8 HG3 PRO -2 2HG PRO -2 8.334 -3.333 0.565
9 HD2 PRO -2 1HD PRO -2 9.574 -5.312 -0.805
10 HD3 PRO -2 2HD PRO -2 7.851 -4.940 -1.015
11 H GLY -1 H GLY -1 9.943 -0.226 -2.878
12 HA2 GLY -1 1HA GLY -1 12.771 -0.710 -2.602
13 HA3 GLY -1 2HA GLY -1 12.283 -0.361 -4.254
14 H SER 0 H SER 0 14.007 1.362 -3.388
15 HA SER 0 HA SER 0 12.451 3.693 -2.471
16 HB2 SER 0 1HB SER 0 15.430 3.584 -2.185
17 HB3 SER 0 2HB SER 0 14.244 4.456 -1.214
18 HG SER 0 HG SER 0 13.735 2.609 -0.158
19 H MET 1 H MET 1 12.796 5.676 -3.485
20 HA MET 1 HA MET 1 14.293 5.539 -6.020
21 HB2 MET 1 1HB MET 1 12.604 7.258 -6.836
22 HB3 MET 1 2HB MET 1 12.014 5.614 -6.634
23 HG2 MET 1 1HG MET 1 10.873 6.165 -4.642
24 HG3 MET 1 2HG MET 1 11.686 7.724 -4.526
25 HE1 MET 1 3HE MET 1 10.211 10.127 -6.196
26 HE2 MET 1 1HE MET 1 11.743 9.273 -6.383
27 HE3 MET 1 2HE MET 1 10.616 9.368 -7.737
28 H LYS 2 H LYS 2 15.107 6.479 -3.319
29 HA LYS 2 HA LYS 2 15.730 9.274 -4.019
30 HB2 LYS 2 1HB LYS 2 16.047 9.547 -1.493
31 HB3 LYS 2 2HB LYS 2 14.397 9.413 -2.088
32 HG2 LYS 2 1HG LYS 2 15.733 6.901 -1.282
33 HG3 LYS 2 2HG LYS 2 15.305 8.035 0.002
34 HD2 LYS 2 1HD LYS 2 13.354 7.132 -2.107
35 HD3 LYS 2 2HD LYS 2 13.562 6.292 -0.568
36 HE2 LYS 2 1HE LYS 2 12.762 8.110 0.664
37 HE3 LYS 2 2HE LYS 2 13.005 9.237 -0.670
38 HZ1 LYS 2 3HZ LYS 2 11.258 7.504 -1.730
39 HZ2 LYS 2 1HZ LYS 2 10.819 8.951 -0.970
40 HZ3 LYS 2 2HZ LYS 2 10.768 7.495 -0.111
41 H GLU 3 H GLU 3 17.796 9.634 -4.459
42 HA GLU 3 HA GLU 3 19.861 8.165 -3.005
43 HB2 GLU 3 1HB GLU 3 21.077 7.591 -5.019
44 HB3 GLU 3 2HB GLU 3 19.458 6.912 -5.098
45 HG2 GLU 3 1HG GLU 3 18.915 9.112 -6.395
46 HG3 GLU 3 2HG GLU 3 20.657 9.141 -6.665
47 H ILE 4 H ILE 4 21.835 9.242 -2.842
48 HA ILE 4 HA ILE 4 21.730 12.078 -3.618
49 HB ILE 4 HB ILE 4 21.894 11.511 -1.167
50 HG12 ILE 4 1HG1 ILE 4 22.762 13.644 -2.410
51 HG13 ILE 4 2HG1 ILE 4 23.188 13.386 -0.721
52 HG21 ILE 4 1HG2 ILE 4 23.360 9.600 -1.295
53 HG22 ILE 4 2HG2 ILE 4 24.641 10.588 -1.993
54 HG23 ILE 4 3HG2 ILE 4 24.126 10.860 -0.329
55 HD11 ILE 4 3HD1 ILE 4 25.372 13.075 -1.181
56 HD12 ILE 4 1HD1 ILE 4 25.051 12.290 -2.728
57 HD13 ILE 4 2HD1 ILE 4 24.963 14.047 -2.595
58 H ILE 5 H ILE 5 23.336 12.987 -4.800
59 HA ILE 5 HA ILE 5 25.676 11.335 -5.457
60 HB ILE 5 HB ILE 5 24.341 13.014 -7.557
61 HG12 ILE 5 1HG1 ILE 5 23.805 10.096 -6.959
62 HG13 ILE 5 2HG1 ILE 5 22.655 11.417 -6.781
63 HG21 ILE 5 1HG2 ILE 5 25.827 12.105 -8.993
64 HG22 ILE 5 2HG2 ILE 5 26.765 11.855 -7.522
65 HG23 ILE 5 3HG2 ILE 5 25.806 10.535 -8.191
66 HD11 ILE 5 3HD1 ILE 5 23.837 10.363 -9.336
67 HD12 ILE 5 1HD1 ILE 5 22.162 10.245 -8.796
68 HD13 ILE 5 2HD1 ILE 5 22.842 11.815 -9.228
69 H LEU 6 H LEU 6 27.580 12.439 -5.811
70 HA LEU 6 HA LEU 6 27.490 15.341 -5.306
71 HB2 LEU 6 1HB LEU 6 30.029 14.552 -4.617
72 HB3 LEU 6 2HB LEU 6 28.706 14.886 -3.501
73 HG LEU 6 HG LEU 6 29.059 12.129 -4.604
74 HD11 LEU 6 1HD1 LEU 6 30.300 12.255 -2.077
75 HD12 LEU 6 2HD1 LEU 6 31.028 13.515 -3.073
76 HD13 LEU 6 3HD1 LEU 6 31.027 11.842 -3.630
77 HD21 LEU 6 3HD2 LEU 6 27.551 11.572 -3.054
78 HD22 LEU 6 1HD2 LEU 6 27.229 13.301 -2.924
79 HD23 LEU 6 2HD2 LEU 6 28.352 12.527 -1.805
80 H TYR 7 H TYR 7 27.992 16.446 -7.071
81 HA TYR 7 HA TYR 7 29.810 15.252 -9.039
82 HB2 TYR 7 1HB TYR 7 27.887 17.574 -9.283
83 HB3 TYR 7 2HB TYR 7 28.935 17.001 -10.576
84 HD1 TYR 7 HD1 TYR 7 25.995 16.200 -8.513
85 HD2 TYR 7 HD2 TYR 7 28.412 15.004 -11.805
86 HE1 TYR 7 HE1 TYR 7 24.266 14.587 -9.189
87 HE2 TYR 7 HE2 TYR 7 26.689 13.389 -12.491
88 HH TYR 7 HH TYR 7 23.675 13.021 -10.642
89 H THR 8 H THR 8 31.866 15.768 -8.651
90 HA THR 8 HA THR 8 32.819 18.393 -8.928
91 HB THR 8 HB THR 8 33.804 18.045 -6.343
92 HG1 THR 8 HG1 THR 8 31.009 17.984 -6.077
93 HG21 THR 8 3HG2 THR 8 33.016 20.111 -7.709
94 HG22 THR 8 1HG2 THR 8 32.901 20.148 -5.950
95 HG23 THR 8 2HG2 THR 8 31.465 19.823 -6.921
96 H ARG 9 H ARG 9 35.223 18.460 -7.927
97 HA ARG 9 HA ARG 9 36.542 16.172 -9.125
98 HB2 ARG 9 1HB ARG 9 38.621 17.528 -8.696
99 HB3 ARG 9 2HB ARG 9 37.435 18.290 -9.747
100 HG2 ARG 9 1HG ARG 9 36.690 19.716 -7.964
101 HG3 ARG 9 2HG ARG 9 37.727 18.876 -6.810
102 HD2 ARG 9 1HD ARG 9 38.569 20.594 -9.136
103 HD3 ARG 9 2HD ARG 9 38.813 20.912 -7.419
104 HE ARG 9 HE ARG 9 40.089 18.531 -7.902
105 HH11 ARG 9 1HH1 ARG 9 40.296 21.779 -9.137
106 HH12 ARG 9 2HH1 ARG 9 41.986 21.672 -9.502
107 HH21 ARG 9 1HH2 ARG 9 42.314 18.378 -8.377
108 HH22 ARG 9 2HH2 ARG 9 43.133 19.737 -9.070
109 HA PRO 10 HA PRO 10 37.665 14.066 -5.443
110 HB2 PRO 10 1HB PRO 10 40.146 13.156 -6.063
111 HB3 PRO 10 2HB PRO 10 38.673 12.493 -6.780
112 HG2 PRO 10 1HG PRO 10 40.595 14.493 -7.907
113 HG3 PRO 10 2HG PRO 10 39.819 13.113 -8.706
114 HD2 PRO 10 1HD PRO 10 38.933 15.655 -9.001
115 HD3 PRO 10 2HD PRO 10 37.843 14.254 -9.035
116 H ASN 11 H ASN 11 39.278 16.862 -6.426
117 HA ASN 11 HA ASN 11 41.073 16.892 -4.117
118 HB2 ASN 11 1HB ASN 11 41.545 17.703 -6.635
119 HB3 ASN 11 2HB ASN 11 40.943 19.215 -5.962
120 HD21 ASN 11 2HD2 ASN 11 43.247 16.611 -5.302
121 HD22 ASN 11 1HD2 ASN 11 44.450 17.623 -4.586
122 H CYS 12 H CYS 12 38.509 16.930 -3.291
123 HA CYS 12 HA CYS 12 38.026 19.748 -2.573
124 HB2 CYS 12 1HB CYS 12 35.644 19.016 -2.180
125 HB3 CYS 12 2HB CYS 12 36.166 18.981 -3.861
126 HA PRO 13 HA PRO 13 39.256 17.908 1.391
127 HB2 PRO 13 1HB PRO 13 39.924 20.285 2.520
128 HB3 PRO 13 2HB PRO 13 41.009 19.392 1.448
129 HG2 PRO 13 1HG PRO 13 39.230 21.720 0.832
130 HG3 PRO 13 2HG PRO 13 40.900 21.421 0.317
131 HD2 PRO 13 1HD PRO 13 38.775 20.964 -1.297
132 HD3 PRO 13 2HD PRO 13 40.257 19.990 -1.372
133 H TYR 14 H TYR 14 36.743 19.956 0.440
134 HA TYR 14 HA TYR 14 35.667 20.253 3.140
135 HB2 TYR 14 1HB TYR 14 34.907 21.404 0.464
136 HB3 TYR 14 2HB TYR 14 33.829 21.517 1.851
137 HD1 TYR 14 HD1 TYR 14 35.317 22.244 4.090
138 HD2 TYR 14 HD2 TYR 14 36.049 23.354 0.048
139 HE1 TYR 14 HE1 TYR 14 36.516 24.247 4.864
140 HE2 TYR 14 HE2 TYR 14 37.252 25.360 0.811
141 HH TYR 14 HH TYR 14 38.343 25.786 3.899
142 H CYS 15 H CYS 15 35.348 18.290 0.345
143 HA CYS 15 HA CYS 15 32.708 17.459 0.444
144 HB2 CYS 15 1HB CYS 15 35.246 16.067 -0.367
145 HB3 CYS 15 2HB CYS 15 33.702 15.222 -0.415
146 H LYS 16 H LYS 16 35.321 16.758 2.602
147 HA LYS 16 HA LYS 16 34.574 14.387 3.778
148 HB2 LYS 16 1HB LYS 16 35.889 14.995 5.623
149 HB3 LYS 16 2HB LYS 16 36.591 15.893 4.283
150 HG2 LYS 16 1HG LYS 16 35.192 17.855 5.016
151 HG3 LYS 16 2HG LYS 16 34.813 16.931 6.472
152 HD2 LYS 16 1HD LYS 16 37.271 16.728 6.885
153 HD3 LYS 16 2HD LYS 16 37.534 17.833 5.534
154 HE2 LYS 16 1HE LYS 16 35.648 18.657 7.681
155 HE3 LYS 16 2HE LYS 16 37.375 18.690 8.035
156 HZ1 LYS 16 3HZ LYS 16 37.723 20.144 6.165
157 HZ2 LYS 16 1HZ LYS 16 36.545 20.814 7.178
158 HZ3 LYS 16 2HZ LYS 16 36.090 20.059 5.734
159 H ARG 17 H ARG 17 33.150 17.563 4.164
160 HA ARG 17 HA ARG 17 31.570 16.966 6.441
161 HB2 ARG 17 1HB ARG 17 31.593 19.115 4.369
162 HB3 ARG 17 2HB ARG 17 30.167 18.947 5.384
163 HG2 ARG 17 1HG ARG 17 31.380 20.466 6.586
164 HG3 ARG 17 2HG ARG 17 31.916 18.956 7.327
165 HD2 ARG 17 1HD ARG 17 34.002 19.105 6.445
166 HD3 ARG 17 2HD ARG 17 33.440 19.900 4.975
167 HE ARG 17 HE ARG 17 33.909 21.901 5.955
168 HH11 ARG 17 1HH1 ARG 17 33.527 19.509 8.455
169 HH12 ARG 17 2HH1 ARG 17 33.972 20.587 9.736
170 HH21 ARG 17 1HH2 ARG 17 34.497 23.330 7.633
171 HH22 ARG 17 2HH2 ARG 17 34.523 22.761 9.267
172 H ALA 18 H ALA 18 30.817 17.040 2.964
173 HA ALA 18 HA ALA 18 28.130 16.266 3.181
174 HB1 ALA 18 1HB ALA 18 28.169 15.918 0.853
175 HB2 ALA 18 2HB ALA 18 29.326 17.215 1.153
176 HB3 ALA 18 3HB ALA 18 29.899 15.575 0.852
177 H ARG 19 H ARG 19 30.985 14.277 2.387
178 HA ARG 19 HA ARG 19 29.665 11.816 2.322
179 HB2 ARG 19 1HB ARG 19 31.850 10.800 2.506
180 HB3 ARG 19 2HB ARG 19 31.959 12.216 1.468
181 HG2 ARG 19 1HG ARG 19 33.802 12.558 2.741
182 HG3 ARG 19 2HG ARG 19 32.613 13.383 3.752
183 HD2 ARG 19 1HD ARG 19 33.367 12.071 5.399
184 HD3 ARG 19 2HD ARG 19 32.425 10.797 4.624
185 HE ARG 19 HE ARG 19 34.379 9.815 3.922
186 HH11 ARG 19 1HH1 ARG 19 35.042 13.025 5.094
187 HH12 ARG 19 2HH1 ARG 19 36.762 12.823 5.062
188 HH21 ARG 19 1HH2 ARG 19 36.643 9.537 3.874
189 HH22 ARG 19 2HH2 ARG 19 37.672 10.839 4.367
190 H ASP 20 H ASP 20 31.049 13.624 5.001
191 HA ASP 20 HA ASP 20 30.934 11.598 6.948
192 HB2 ASP 20 1HB ASP 20 32.232 13.511 7.462
193 HB3 ASP 20 2HB ASP 20 30.894 14.606 7.126
194 H LEU 21 H LEU 21 28.615 14.168 6.131
195 HA LEU 21 HA LEU 21 26.680 13.522 8.045
196 HB2 LEU 21 1HB LEU 21 26.730 15.609 6.735
197 HB3 LEU 21 2HB LEU 21 26.254 14.699 5.303
198 HG LEU 21 HG LEU 21 24.479 14.577 7.685
199 HD11 LEU 21 1HD1 LEU 21 23.930 16.725 7.726
200 HD12 LEU 21 2HD1 LEU 21 23.736 16.766 5.974
201 HD13 LEU 21 3HD1 LEU 21 25.322 17.047 6.692
202 HD21 LEU 21 3HD2 LEU 21 22.787 14.702 5.791
203 HD22 LEU 21 1HD2 LEU 21 23.797 13.258 5.862
204 HD23 LEU 21 2HD2 LEU 21 24.161 14.532 4.697
205 H LEU 22 H LEU 22 26.840 12.588 4.609
206 HA LEU 22 HA LEU 22 24.581 10.995 4.504
207 HB2 LEU 22 1HB LEU 22 27.174 10.993 3.028
208 HB3 LEU 22 2HB LEU 22 26.029 9.680 2.761
209 HG LEU 22 HG LEU 22 24.575 10.999 1.611
210 HD11 LEU 22 1HD1 LEU 22 24.028 12.525 3.366
211 HD12 LEU 22 2HD1 LEU 22 24.404 13.465 1.922
212 HD13 LEU 22 3HD1 LEU 22 25.589 13.333 3.222
213 HD21 LEU 22 3HD2 LEU 22 27.312 11.562 1.078
214 HD22 LEU 22 1HD2 LEU 22 26.374 13.032 0.808
215 HD23 LEU 22 2HD2 LEU 22 25.948 11.546 -0.041
216 H ASP 23 H ASP 23 27.925 9.872 5.045
217 HA ASP 23 HA ASP 23 27.282 7.215 5.621
218 HB2 ASP 23 1HB ASP 23 29.575 8.101 5.129
219 HB3 ASP 23 2HB ASP 23 29.611 8.771 6.758
220 H LYS 24 H LYS 24 27.425 10.056 7.691
221 HA LYS 24 HA LYS 24 27.278 8.804 10.184
222 HB2 LYS 24 1HB LYS 24 27.749 11.194 9.911
223 HB3 LYS 24 2HB LYS 24 26.111 11.460 9.329
224 HG2 LYS 24 1HG LYS 24 26.352 10.173 11.970
225 HG3 LYS 24 2HG LYS 24 26.871 11.858 11.867
226 HD2 LYS 24 1HD LYS 24 24.597 12.151 10.590
227 HD3 LYS 24 2HD LYS 24 24.165 10.670 11.447
228 HE2 LYS 24 1HE LYS 24 24.984 11.880 13.552
229 HE3 LYS 24 2HE LYS 24 24.912 13.349 12.580
230 HZ1 LYS 24 3HZ LYS 24 22.537 11.707 12.462
231 HZ2 LYS 24 1HZ LYS 24 22.689 13.381 12.654
232 HZ3 LYS 24 2HZ LYS 24 22.858 12.359 13.990
233 H LYS 25 H LYS 25 24.719 9.762 7.939
234 HA LYS 25 HA LYS 25 22.599 8.937 9.687
235 HB2 LYS 25 1HB LYS 25 22.555 9.532 6.722
236 HB3 LYS 25 2HB LYS 25 21.140 9.347 7.749
237 HG2 LYS 25 1HG LYS 25 23.224 11.512 7.921
238 HG3 LYS 25 2HG LYS 25 21.554 11.680 7.375
239 HD2 LYS 25 1HD LYS 25 22.419 10.876 10.153
240 HD3 LYS 25 2HD LYS 25 21.856 12.481 9.678
241 HE2 LYS 25 1HE LYS 25 19.813 11.772 10.229
242 HE3 LYS 25 2HE LYS 25 19.869 10.807 8.755
243 HZ1 LYS 25 3HZ LYS 25 20.242 8.905 9.904
244 HZ2 LYS 25 1HZ LYS 25 19.400 9.743 11.108
245 HZ3 LYS 25 2HZ LYS 25 21.089 9.670 11.152
246 H GLY 26 H GLY 26 24.453 7.480 7.099
247 HA2 GLY 26 1HA GLY 26 24.748 5.122 6.951
248 HA3 GLY 26 2HA GLY 26 23.190 4.907 7.736
249 H VAL 27 H VAL 27 24.296 6.681 4.846
250 HA VAL 27 HA VAL 27 22.279 5.195 3.293
251 HB VAL 27 HB VAL 27 22.239 7.363 1.855
252 HG11 VAL 27 1HG1 VAL 27 20.334 6.451 3.103
253 HG12 VAL 27 2HG1 VAL 27 20.891 7.288 4.553
254 HG13 VAL 27 3HG1 VAL 27 20.363 8.214 3.148
255 HG21 VAL 27 3HG2 VAL 27 24.061 8.499 3.016
256 HG22 VAL 27 1HG2 VAL 27 22.560 9.415 3.149
257 HG23 VAL 27 2HG2 VAL 27 23.137 8.464 4.518
258 H LYS 28 H LYS 28 22.743 5.674 0.819
259 HA LYS 28 HA LYS 28 25.603 5.110 0.398
260 HB2 LYS 28 1HB LYS 28 23.121 3.985 -0.773
261 HB3 LYS 28 2HB LYS 28 24.477 4.203 -1.873
262 HG2 LYS 28 1HG LYS 28 24.819 2.058 -1.144
263 HG3 LYS 28 2HG LYS 28 25.824 2.970 -0.015
264 HD2 LYS 28 1HD LYS 28 24.705 1.695 1.496
265 HD3 LYS 28 2HD LYS 28 23.530 3.004 1.351
266 HE2 LYS 28 1HE LYS 28 23.369 0.663 -0.496
267 HE3 LYS 28 2HE LYS 28 22.768 0.510 1.154
268 HZ1 LYS 28 3HZ LYS 28 20.899 1.255 0.142
269 HZ2 LYS 28 1HZ LYS 28 21.731 2.105 -1.061
270 HZ3 LYS 28 2HZ LYS 28 21.590 2.759 0.492
271 H TYR 29 H TYR 29 26.665 6.775 -0.433
272 HA TYR 29 HA TYR 29 25.235 8.643 -2.193
273 HB2 TYR 29 1HB TYR 29 26.950 10.264 -1.662
274 HB3 TYR 29 2HB TYR 29 26.329 9.581 -0.164
275 HD1 TYR 29 HD1 TYR 29 29.193 9.609 -2.487
276 HD2 TYR 29 HD2 TYR 29 27.739 8.322 1.299
277 HE1 TYR 29 HE1 TYR 29 31.484 9.021 -1.813
278 HE2 TYR 29 HE2 TYR 29 30.026 7.732 1.983
279 HH TYR 29 HH TYR 29 32.736 7.963 -0.271
280 H THR 30 H THR 30 26.038 9.199 -4.202
281 HA THR 30 HA THR 30 28.087 7.374 -5.271
282 HB THR 30 HB THR 30 25.873 8.826 -6.733
283 HG1 THR 30 HG1 THR 30 25.235 6.969 -5.483
284 HG21 THR 30 3HG2 THR 30 27.866 8.613 -8.129
285 HG22 THR 30 1HG2 THR 30 26.593 7.532 -8.693
286 HG23 THR 30 2HG2 THR 30 27.949 6.890 -7.766
287 H ASP 31 H ASP 31 29.997 8.246 -5.688
288 HA ASP 31 HA ASP 31 30.306 11.123 -5.823
289 HB2 ASP 31 1HB ASP 31 31.963 9.978 -4.542
290 HB3 ASP 31 2HB ASP 31 32.274 8.835 -5.845
291 H ILE 32 H ILE 32 30.722 12.312 -7.600
292 HA ILE 32 HA ILE 32 31.066 10.877 -10.151
293 HB ILE 32 HB ILE 32 29.485 13.415 -9.722
294 HG12 ILE 32 1HG1 ILE 32 28.425 11.285 -8.887
295 HG13 ILE 32 2HG1 ILE 32 27.515 12.121 -10.140
296 HG21 ILE 32 1HG2 ILE 32 30.371 11.932 -12.144
297 HG22 ILE 32 2HG2 ILE 32 28.793 12.716 -12.163
298 HG23 ILE 32 3HG2 ILE 32 30.247 13.668 -11.866
299 HD11 ILE 32 3HD1 ILE 32 27.956 9.503 -10.176
300 HD12 ILE 32 1HD1 ILE 32 27.811 10.465 -11.647
301 HD13 ILE 32 2HD1 ILE 32 29.406 10.034 -11.028
302 H ASP 33 H ASP 33 32.916 11.343 -11.118
303 HA ASP 33 HA ASP 33 34.765 13.219 -10.217
304 HB2 ASP 33 1HB ASP 33 34.506 11.967 -12.959
305 HB3 ASP 33 2HB ASP 33 35.924 12.839 -12.385
306 H ALA 34 H ALA 34 35.341 15.271 -10.853
307 HA ALA 34 HA ALA 34 33.294 16.995 -11.716
308 HB1 ALA 34 1HB ALA 34 35.474 18.510 -12.104
309 HB2 ALA 34 2HB ALA 34 34.780 18.197 -10.513
310 HB3 ALA 34 3HB ALA 34 36.162 17.256 -11.073
311 H SER 35 H SER 35 35.407 14.993 -13.473
312 HA SER 35 HA SER 35 35.946 16.356 -15.798
313 HB2 SER 35 1HB SER 35 36.833 14.154 -15.512
314 HB3 SER 35 2HB SER 35 35.220 13.452 -15.383
315 HG SER 35 HG SER 35 36.664 14.185 -17.623
316 H THR 36 H THR 36 34.546 17.620 -16.844
317 HA THR 36 HA THR 36 31.778 17.371 -16.912
318 HB THR 36 HB THR 36 31.864 18.849 -18.930
319 HG1 THR 36 HG1 THR 36 33.667 18.920 -20.021
320 HG21 THR 36 3HG2 THR 36 31.823 19.913 -16.796
321 HG22 THR 36 1HG2 THR 36 33.047 20.739 -17.759
322 HG23 THR 36 2HG2 THR 36 33.532 19.575 -16.525
323 H SER 37 H SER 37 34.206 15.729 -18.749
324 HA SER 37 HA SER 37 32.902 14.997 -21.055
325 HB2 SER 37 1HB SER 37 35.278 14.408 -20.312
326 HB3 SER 37 2HB SER 37 34.559 13.042 -19.460
327 HG SER 37 HG SER 37 34.762 13.526 -22.213
328 H LEU 38 H LEU 38 32.387 13.837 -17.801
329 HA LEU 38 HA LEU 38 30.178 12.165 -18.803
330 HB2 LEU 38 1HB LEU 38 32.295 11.586 -16.807
331 HB3 LEU 38 2HB LEU 38 30.678 10.963 -16.484
332 HG LEU 38 HG LEU 38 32.160 9.314 -17.567
333 HD11 LEU 38 1HD1 LEU 38 29.520 10.043 -18.299
334 HD12 LEU 38 2HD1 LEU 38 30.272 8.448 -18.332
335 HD13 LEU 38 3HD1 LEU 38 30.358 9.492 -19.750
336 HD21 LEU 38 3HD2 LEU 38 33.154 11.322 -19.020
337 HD22 LEU 38 1HD2 LEU 38 31.960 10.714 -20.166
338 HD23 LEU 38 2HD2 LEU 38 33.214 9.639 -19.548
339 H ARG 39 H ARG 39 31.371 14.316 -16.301
340 HA ARG 39 HA ARG 39 29.141 14.248 -14.593
341 HB2 ARG 39 1HB ARG 39 31.372 15.243 -14.048
342 HB3 ARG 39 2HB ARG 39 30.970 16.600 -15.093
343 HG2 ARG 39 1HG ARG 39 28.809 16.574 -13.478
344 HG3 ARG 39 2HG ARG 39 30.047 15.962 -12.379
345 HD2 ARG 39 1HD ARG 39 30.018 18.324 -12.142
346 HD3 ARG 39 2HD ARG 39 31.470 17.918 -13.056
347 HE ARG 39 HE ARG 39 30.633 19.095 -14.825
348 HH11 ARG 39 1HH1 ARG 39 28.039 18.386 -12.614
349 HH12 ARG 39 2HH1 ARG 39 26.879 19.359 -13.458
350 HH21 ARG 39 1HH2 ARG 39 29.116 20.379 -15.945
351 HH22 ARG 39 2HH2 ARG 39 27.493 20.491 -15.353
352 H GLN 40 H GLN 40 29.819 16.103 -17.502
353 HA GLN 40 HA GLN 40 27.653 17.906 -17.281
354 HB2 GLN 40 1HB GLN 40 29.568 18.310 -18.762
355 HB3 GLN 40 2HB GLN 40 29.099 16.934 -19.752
356 HG2 GLN 40 1HG GLN 40 28.064 18.458 -21.007
357 HG3 GLN 40 2HG GLN 40 26.815 18.396 -19.765
358 HE21 GLN 40 2HE2 GLN 40 26.827 20.614 -21.134
359 HE22 GLN 40 1HE2 GLN 40 27.537 21.926 -20.263
360 H GLU 41 H GLU 41 27.985 14.707 -18.713
361 HA GLU 41 HA GLU 41 25.443 14.691 -19.990
362 HB2 GLU 41 1HB GLU 41 26.895 12.217 -19.089
363 HB3 GLU 41 2HB GLU 41 25.865 12.434 -20.497
364 HG2 GLU 41 1HG GLU 41 28.646 13.494 -20.086
365 HG3 GLU 41 2HG GLU 41 28.118 12.271 -21.241
366 H MET 42 H MET 42 26.633 13.296 -16.942
367 HA MET 42 HA MET 42 24.225 12.126 -16.125
368 HB2 MET 42 1HB MET 42 26.577 13.174 -14.555
369 HB3 MET 42 2HB MET 42 25.221 12.350 -13.797
370 HG2 MET 42 1HG MET 42 25.889 10.329 -14.495
371 HG3 MET 42 2HG MET 42 26.413 10.929 -16.066
372 HE1 MET 42 3HE MET 42 27.414 8.967 -13.533
373 HE2 MET 42 1HE MET 42 28.444 8.717 -14.943
374 HE3 MET 42 2HE MET 42 29.163 9.150 -13.392
375 H VAL 43 H VAL 43 25.606 15.297 -15.273
376 HA VAL 43 HA VAL 43 23.444 16.161 -13.694
377 HB VAL 43 HB VAL 43 25.705 17.217 -13.715
378 HG11 VAL 43 1HG1 VAL 43 24.794 18.698 -16.165
379 HG12 VAL 43 2HG1 VAL 43 26.394 18.681 -15.421
380 HG13 VAL 43 3HG1 VAL 43 25.795 17.250 -16.260
381 HG21 VAL 43 3HG2 VAL 43 24.052 18.426 -12.572
382 HG22 VAL 43 1HG2 VAL 43 24.792 19.605 -13.655
383 HG23 VAL 43 2HG2 VAL 43 23.234 18.888 -14.064
384 H GLN 44 H GLN 44 24.075 16.374 -17.149
385 HA GLN 44 HA GLN 44 22.058 18.197 -17.831
386 HB2 GLN 44 1HB GLN 44 23.673 16.171 -19.266
387 HB3 GLN 44 2HB GLN 44 22.178 16.668 -20.048
388 HG2 GLN 44 1HG GLN 44 22.876 18.946 -20.099
389 HG3 GLN 44 2HG GLN 44 24.280 18.594 -19.093
390 HE21 GLN 44 2HE2 GLN 44 24.401 19.870 -21.585
391 HE22 GLN 44 1HE2 GLN 44 25.265 18.848 -22.677
392 H ARG 45 H ARG 45 22.008 14.636 -17.841
393 HA ARG 45 HA ARG 45 19.193 14.553 -18.426
394 HB2 ARG 45 1HB ARG 45 21.308 12.508 -17.857
395 HB3 ARG 45 2HB ARG 45 19.613 12.045 -17.794
396 HG2 ARG 45 1HG ARG 45 19.287 12.554 -20.075
397 HG3 ARG 45 2HG ARG 45 20.833 13.398 -20.181
398 HD2 ARG 45 1HD ARG 45 22.018 11.302 -19.826
399 HD3 ARG 45 2HD ARG 45 20.485 10.448 -19.658
400 HE ARG 45 HE ARG 45 20.533 11.772 -22.134
401 HH11 ARG 45 1HH1 ARG 45 22.042 9.101 -20.488
402 HH12 ARG 45 2HH1 ARG 45 22.344 8.207 -21.941
403 HH21 ARG 45 1HH2 ARG 45 20.925 10.605 -24.054
404 HH22 ARG 45 2HH2 ARG 45 21.709 9.063 -23.969
405 H ALA 46 H ALA 46 21.034 14.994 -15.634
406 HA ALA 46 HA ALA 46 19.275 13.695 -13.774
407 HB1 ALA 46 1HB ALA 46 21.564 13.925 -13.146
408 HB2 ALA 46 2HB ALA 46 21.516 15.671 -13.394
409 HB3 ALA 46 3HB ALA 46 20.610 14.944 -12.067
410 H ASN 47 H ASN 47 19.769 17.008 -14.911
411 HA ASN 47 HA ASN 47 17.245 17.752 -13.584
412 HB2 ASN 47 1HB ASN 47 18.348 20.144 -13.744
413 HB3 ASN 47 2HB ASN 47 18.733 19.064 -12.407
414 HD21 ASN 47 2HD2 ASN 47 19.852 20.367 -15.449
415 HD22 ASN 47 1HD2 ASN 47 21.526 20.013 -15.206
416 H GLY 48 H GLY 48 19.407 18.442 -16.319
417 HA2 GLY 48 1HA GLY 48 17.726 18.260 -18.397
418 HA3 GLY 48 2HA GLY 48 17.288 19.830 -17.740
419 H ARG 49 H ARG 49 19.480 21.102 -17.138
420 HA ARG 49 HA ARG 49 21.513 20.770 -19.176
421 HB2 ARG 49 1HB ARG 49 19.808 22.062 -20.364
422 HB3 ARG 49 2HB ARG 49 19.791 23.252 -19.070
423 HG2 ARG 49 1HG ARG 49 21.107 24.260 -20.674
424 HG3 ARG 49 2HG ARG 49 22.303 23.526 -19.603
425 HD2 ARG 49 1HD ARG 49 23.061 22.940 -21.718
426 HD3 ARG 49 2HD ARG 49 22.168 21.509 -21.203
427 HE ARG 49 HE ARG 49 20.647 21.893 -22.875
428 HH11 ARG 49 1HH1 ARG 49 22.615 24.731 -22.432
429 HH12 ARG 49 2HH1 ARG 49 22.004 25.534 -23.840
430 HH21 ARG 49 1HH2 ARG 49 19.834 22.941 -24.731
431 HH22 ARG 49 2HH2 ARG 49 20.421 24.516 -25.146
432 H ASN 50 H ASN 50 23.353 20.991 -18.104
433 HA ASN 50 HA ASN 50 23.797 23.303 -16.420
434 HB2 ASN 50 1HB ASN 50 23.365 20.603 -15.328
435 HB3 ASN 50 2HB ASN 50 24.822 21.402 -14.744
436 HD21 ASN 50 2HD2 ASN 50 24.145 23.972 -14.538
437 HD22 ASN 50 1HD2 ASN 50 22.847 24.186 -13.418
438 H THR 51 H THR 51 26.070 23.508 -15.770
439 HA THR 51 HA THR 51 28.000 21.797 -17.085
440 HB THR 51 HB THR 51 28.071 24.723 -17.793
441 HG1 THR 51 HG1 THR 51 26.421 24.295 -19.053
442 HG21 THR 51 3HG2 THR 51 29.908 24.213 -18.978
443 HG22 THR 51 1HG2 THR 51 29.190 22.737 -19.622
444 HG23 THR 51 2HG2 THR 51 29.944 22.728 -18.028
445 H PHE 52 H PHE 52 27.440 22.457 -14.362
446 HA PHE 52 HA PHE 52 30.073 23.443 -13.604
447 HB2 PHE 52 1HB PHE 52 27.495 24.796 -12.940
448 HB3 PHE 52 2HB PHE 52 28.767 24.773 -11.723
449 HD1 PHE 52 HD2 PHE 52 27.911 25.867 -15.138
450 HD2 PHE 52 HD1 PHE 52 30.670 26.160 -11.911
451 HE1 PHE 52 HE2 PHE 52 28.989 27.785 -16.239
452 HE2 PHE 52 HE1 PHE 52 31.752 28.080 -13.006
453 HZ PHE 52 HZ PHE 52 30.913 28.894 -15.173
454 HA PRO 53 HA PRO 53 29.768 20.144 -10.709
455 HB2 PRO 53 1HB PRO 53 31.662 20.943 -8.935
456 HB3 PRO 53 2HB PRO 53 32.054 20.289 -10.530
457 HG2 PRO 53 1HG PRO 53 31.934 23.141 -9.630
458 HG3 PRO 53 2HG PRO 53 33.140 22.342 -10.656
459 HD2 PRO 53 1HD PRO 53 31.154 23.880 -11.669
460 HD3 PRO 53 2HD PRO 53 31.814 22.478 -12.536
461 H GLN 54 H GLN 54 28.735 19.645 -8.822
462 HA GLN 54 HA GLN 54 28.390 21.356 -6.627
463 HB2 GLN 54 1HB GLN 54 26.348 22.359 -6.905
464 HB3 GLN 54 2HB GLN 54 26.912 22.372 -8.570
465 HG2 GLN 54 1HG GLN 54 24.923 20.518 -7.302
466 HG3 GLN 54 2HG GLN 54 24.670 21.657 -8.624
467 HE21 GLN 54 2HE2 GLN 54 24.576 18.582 -8.144
468 HE22 GLN 54 1HE2 GLN 54 25.323 17.957 -9.571
469 H ILE 55 H ILE 55 26.304 20.568 -5.322
470 HA ILE 55 HA ILE 55 26.561 17.657 -5.224
471 HB ILE 55 HB ILE 55 25.350 19.569 -3.224
472 HG12 ILE 55 1HG1 ILE 55 27.833 17.959 -2.770
473 HG13 ILE 55 2HG1 ILE 55 27.936 19.449 -3.702
474 HG21 ILE 55 1HG2 ILE 55 24.266 17.696 -2.590
475 HG22 ILE 55 2HG2 ILE 55 25.404 16.630 -3.413
476 HG23 ILE 55 3HG2 ILE 55 25.813 17.308 -1.837
477 HD11 ILE 55 3HD1 ILE 55 26.446 20.023 -1.380
478 HD12 ILE 55 1HD1 ILE 55 27.864 19.100 -0.884
479 HD13 ILE 55 2HD1 ILE 55 28.060 20.585 -1.815
480 H PHE 56 H PHE 56 24.839 16.261 -5.350
481 HA PHE 56 HA PHE 56 22.252 17.445 -6.116
482 HB2 PHE 56 1HB PHE 56 23.949 15.790 -7.667
483 HB3 PHE 56 2HB PHE 56 22.555 14.814 -7.216
484 HD1 PHE 56 HD2 PHE 56 20.257 16.290 -7.385
485 HD2 PHE 56 HD1 PHE 56 23.790 16.808 -9.703
486 HE1 PHE 56 HE2 PHE 56 18.932 17.362 -9.160
487 HE2 PHE 56 HE1 PHE 56 22.470 17.882 -11.481
488 HZ PHE 56 HZ PHE 56 20.038 18.159 -11.211
489 H ILE 57 H ILE 57 20.427 16.573 -5.243
490 HA ILE 57 HA ILE 57 20.649 14.141 -3.635
491 HB ILE 57 HB ILE 57 19.291 15.308 -1.818
492 HG12 ILE 57 1HG1 ILE 57 20.553 17.806 -2.938
493 HG13 ILE 57 2HG1 ILE 57 18.903 17.339 -3.336
494 HG21 ILE 57 1HG2 ILE 57 21.458 16.452 -0.933
495 HG22 ILE 57 2HG2 ILE 57 21.419 14.705 -1.167
496 HG23 ILE 57 3HG2 ILE 57 22.194 15.738 -2.368
497 HD11 ILE 57 3HD1 ILE 57 18.913 17.174 -0.611
498 HD12 ILE 57 1HD1 ILE 57 19.981 18.543 -0.915
499 HD13 ILE 57 2HD1 ILE 57 18.337 18.547 -1.556
500 H GLY 58 H GLY 58 19.017 12.829 -4.106
501 HA2 GLY 58 1HA GLY 58 17.038 12.083 -5.018
502 HA3 GLY 58 2HA GLY 58 16.332 13.359 -4.036
503 H ASP 59 H ASP 59 18.433 13.568 -6.890
504 HA ASP 59 HA ASP 59 18.131 14.520 -8.936
505 HB2 ASP 59 1HB ASP 59 15.156 14.466 -8.471
506 HB3 ASP 59 2HB ASP 59 16.028 14.364 -9.998
507 H TYR 60 H TYR 60 18.424 16.132 -6.569
508 HA TYR 60 HA TYR 60 17.384 18.640 -7.643
509 HB2 TYR 60 1HB TYR 60 15.712 18.175 -6.020
510 HB3 TYR 60 2HB TYR 60 16.902 17.640 -4.839
511 HD1 TYR 60 HD2 TYR 60 15.330 20.545 -6.422
512 HD2 TYR 60 HD1 TYR 60 18.176 19.244 -3.539
513 HE1 TYR 60 HE2 TYR 60 15.396 22.813 -5.472
514 HE2 TYR 60 HE1 TYR 60 18.248 21.507 -2.580
515 HH TYR 60 HH TYR 60 17.664 24.010 -3.724
516 H HIS 61 H HIS 61 19.251 19.628 -8.097
517 HA HIS 61 HA HIS 61 21.667 19.253 -6.682
518 HB2 HIS 61 1HB HIS 61 22.467 21.220 -7.987
519 HB3 HIS 61 2HB HIS 61 21.714 19.979 -8.985
520 HD1 HIS 61 HD1 HIS 61 19.247 20.524 -9.837
521 HD2 HIS 61 HD2 HIS 61 21.324 23.705 -8.156
522 HE1 HIS 61 HE1 HIS 61 18.005 22.590 -10.552
523 H VAL 62 H VAL 62 22.700 20.487 -5.149
524 HA VAL 62 HA VAL 62 20.984 22.388 -3.707
525 HB VAL 62 HB VAL 62 23.443 20.925 -2.734
526 HG11 VAL 62 1HG1 VAL 62 21.560 22.852 -1.405
527 HG12 VAL 62 2HG1 VAL 62 22.551 21.719 -0.485
528 HG13 VAL 62 3HG1 VAL 62 23.318 22.930 -1.513
529 HG21 VAL 62 3HG2 VAL 62 20.551 20.298 -2.683
530 HG22 VAL 62 1HG2 VAL 62 21.947 19.221 -2.722
531 HG23 VAL 62 2HG2 VAL 62 21.461 19.979 -1.206
532 H GLY 63 H GLY 63 24.442 21.930 -4.481
533 HA2 GLY 63 1HA GLY 63 25.262 24.000 -5.800
534 HA3 GLY 63 2HA GLY 63 24.779 24.849 -4.339
535 H GLY 64 H GLY 64 26.268 25.119 -2.805
536 HA2 GLY 64 1HA GLY 64 28.879 23.914 -3.180
537 HA3 GLY 64 2HA GLY 64 28.456 25.149 -2.003
538 H CYS 65 H CYS 65 30.001 23.483 -0.884
539 HA CYS 65 HA CYS 65 28.807 21.060 0.045
540 HB2 CYS 65 1HB CYS 65 31.367 22.017 -0.046
541 HB3 CYS 65 2HB CYS 65 30.987 22.196 1.663
542 HG CYS 65 HG CYS 65 31.751 19.473 -0.041
543 H ASP 66 H ASP 66 29.759 24.011 1.811
544 HA ASP 66 HA ASP 66 28.485 23.426 4.202
545 HB2 ASP 66 1HB ASP 66 28.478 25.909 4.576
546 HB3 ASP 66 2HB ASP 66 30.039 25.250 4.095
547 H ASP 67 H ASP 67 27.156 24.521 1.198
548 HA ASP 67 HA ASP 67 24.782 25.703 1.982
549 HB2 ASP 67 1HB ASP 67 25.751 25.355 -0.385
550 HB3 ASP 67 2HB ASP 67 24.907 23.809 -0.353
551 H LEU 68 H LEU 68 25.298 22.253 1.237
552 HA LEU 68 HA LEU 68 22.753 21.354 1.914
553 HB2 LEU 68 1HB LEU 68 23.615 19.199 1.842
554 HB3 LEU 68 2HB LEU 68 24.678 20.113 0.774
555 HG LEU 68 HG LEU 68 26.122 20.299 2.997
556 HD11 LEU 68 1HD1 LEU 68 24.952 19.162 4.596
557 HD12 LEU 68 2HD1 LEU 68 25.943 17.854 3.951
558 HD13 LEU 68 3HD1 LEU 68 24.262 18.020 3.443
559 HD21 LEU 68 3HD2 LEU 68 26.031 17.876 1.202
560 HD22 LEU 68 1HD2 LEU 68 27.391 18.354 2.218
561 HD23 LEU 68 2HD2 LEU 68 26.888 19.383 0.876
562 H TYR 69 H TYR 69 25.563 21.969 3.934
563 HA TYR 69 HA TYR 69 24.552 20.761 6.290
564 HB2 TYR 69 1HB TYR 69 26.910 22.172 5.500
565 HB3 TYR 69 2HB TYR 69 26.300 22.890 6.987
566 HD1 TYR 69 HD2 TYR 69 26.931 19.505 5.528
567 HD2 TYR 69 HD1 TYR 69 27.020 21.987 8.982
568 HE1 TYR 69 HE2 TYR 69 27.927 17.663 6.818
569 HE2 TYR 69 HE1 TYR 69 28.018 20.153 10.282
570 HH TYR 69 HH TYR 69 28.275 17.806 10.258
571 H ALA 70 H ALA 70 24.729 24.173 5.276
572 HA ALA 70 HA ALA 70 23.451 25.321 7.449
573 HB1 ALA 70 1HB ALA 70 23.531 27.232 6.266
574 HB2 ALA 70 2HB ALA 70 24.496 26.272 5.143
575 HB3 ALA 70 3HB ALA 70 22.773 26.508 4.846
576 H LEU 71 H LEU 71 21.972 24.252 4.385
577 HA LEU 71 HA LEU 71 19.324 24.835 5.063
578 HB2 LEU 71 1HB LEU 71 20.388 22.673 3.252
579 HB3 LEU 71 2HB LEU 71 18.714 23.221 3.304
580 HG LEU 71 HG LEU 71 20.874 25.191 2.700
581 HD11 LEU 71 1HD1 LEU 71 20.781 24.659 0.349
582 HD12 LEU 71 2HD1 LEU 71 19.656 23.337 0.659
583 HD13 LEU 71 3HD1 LEU 71 21.314 23.241 1.254
584 HD21 LEU 71 3HD2 LEU 71 18.504 25.354 1.111
585 HD22 LEU 71 1HD2 LEU 71 19.130 26.499 2.296
586 HD23 LEU 71 2HD2 LEU 71 18.060 25.196 2.811
587 H GLU 72 H GLU 72 21.154 21.808 5.412
588 HA GLU 72 HA GLU 72 19.115 20.219 6.440
589 HB2 GLU 72 1HB GLU 72 21.228 19.262 5.753
590 HB3 GLU 72 2HB GLU 72 22.082 20.154 7.004
591 HG2 GLU 72 1HG GLU 72 21.824 18.438 8.366
592 HG3 GLU 72 2HG GLU 72 20.079 18.675 8.307
593 H ASN 73 H ASN 73 21.153 22.598 8.010
594 HA ASN 73 HA ASN 73 20.176 21.908 10.652
595 HB2 ASN 73 1HB ASN 73 22.545 22.758 10.067
596 HB3 ASN 73 2HB ASN 73 21.800 24.352 9.983
597 HD21 ASN 73 2HD2 ASN 73 23.556 22.495 11.907
598 HD22 ASN 73 1HD2 ASN 73 23.006 23.016 13.460
599 H LYS 74 H LYS 74 19.342 24.014 8.083
600 HA LYS 74 HA LYS 74 17.929 25.934 9.702
601 HB2 LYS 74 1HB LYS 74 18.255 25.471 6.758
602 HB3 LYS 74 2HB LYS 74 16.996 26.553 7.339
603 HG2 LYS 74 1HG LYS 74 19.944 26.820 7.898
604 HG3 LYS 74 2HG LYS 74 19.015 27.771 6.736
605 HD2 LYS 74 1HD LYS 74 17.566 28.496 8.673
606 HD3 LYS 74 2HD LYS 74 18.760 27.751 9.738
607 HE2 LYS 74 1HE LYS 74 20.397 29.297 9.195
608 HE3 LYS 74 2HE LYS 74 19.626 29.729 7.670
609 HZ1 LYS 74 3HZ LYS 74 17.753 30.518 9.348
610 HZ2 LYS 74 1HZ LYS 74 19.031 31.524 8.881
611 HZ3 LYS 74 2HZ LYS 74 19.094 30.709 10.362
612 H GLY 75 H GLY 75 17.244 22.889 8.250
613 HA2 GLY 75 1HA GLY 75 15.144 21.959 9.401
614 HA3 GLY 75 2HA GLY 75 14.350 23.309 8.604
615 H LYS 76 H LYS 76 16.688 22.457 6.520
616 HA LYS 76 HA LYS 76 14.833 21.075 4.799
617 HB2 LYS 76 1HB LYS 76 17.151 22.673 4.456
618 HB3 LYS 76 2HB LYS 76 17.491 21.106 3.732
619 HG2 LYS 76 1HG LYS 76 16.584 22.588 2.071
620 HG3 LYS 76 2HG LYS 76 15.426 21.299 2.405
621 HD2 LYS 76 1HD LYS 76 13.920 22.713 3.353
622 HD3 LYS 76 2HD LYS 76 15.168 23.778 4.005
623 HE2 LYS 76 1HE LYS 76 15.589 24.559 1.659
624 HE3 LYS 76 2HE LYS 76 14.170 23.639 1.164
625 HZ1 LYS 76 3HZ LYS 76 13.495 25.868 1.520
626 HZ2 LYS 76 1HZ LYS 76 14.258 25.944 3.028
627 HZ3 LYS 76 2HZ LYS 76 12.892 24.969 2.820
628 H LEU 77 H LEU 77 16.634 20.019 7.278
629 HA LEU 77 HA LEU 77 18.149 17.881 6.447
630 HB2 LEU 77 1HB LEU 77 18.161 18.456 8.735
631 HB3 LEU 77 2HB LEU 77 16.417 18.247 8.874
632 HG LEU 77 HG LEU 77 17.897 15.818 8.131
633 HD11 LEU 77 1HD1 LEU 77 19.464 15.926 9.698
634 HD12 LEU 77 2HD1 LEU 77 18.178 15.896 10.904
635 HD13 LEU 77 3HD1 LEU 77 18.812 17.438 10.329
636 HD21 LEU 77 3HD2 LEU 77 15.397 16.452 9.078
637 HD22 LEU 77 1HD2 LEU 77 16.215 15.825 10.509
638 HD23 LEU 77 2HD2 LEU 77 16.112 14.840 9.050
639 H ASP 78 H ASP 78 14.649 17.975 7.000
640 HA ASP 78 HA ASP 78 14.039 15.303 6.629
641 HB2 ASP 78 1HB ASP 78 12.406 17.012 7.343
642 HB3 ASP 78 2HB ASP 78 12.407 17.680 5.713
643 H SER 79 H SER 79 14.448 17.841 4.192
644 HA SER 79 HA SER 79 13.778 16.207 1.972
645 HB2 SER 79 1HB SER 79 13.664 18.623 1.785
646 HB3 SER 79 2HB SER 79 15.387 18.767 2.132
647 HG SER 79 HG SER 79 14.113 17.789 -0.181
648 H LEU 80 H LEU 80 16.918 17.312 3.241
649 HA LEU 80 HA LEU 80 18.568 15.996 1.443
650 HB2 LEU 80 1HB LEU 80 18.871 16.939 4.247
651 HB3 LEU 80 2HB LEU 80 20.122 15.893 3.580
652 HG LEU 80 HG LEU 80 20.574 18.365 3.458
653 HD11 LEU 80 1HD1 LEU 80 22.014 17.440 2.020
654 HD12 LEU 80 2HD1 LEU 80 20.924 18.039 0.771
655 HD13 LEU 80 3HD1 LEU 80 20.791 16.372 1.331
656 HD21 LEU 80 3HD2 LEU 80 19.411 19.750 1.992
657 HD22 LEU 80 1HD2 LEU 80 18.133 18.824 2.781
658 HD23 LEU 80 2HD2 LEU 80 18.658 18.392 1.153
659 H LEU 81 H LEU 81 17.421 14.840 4.611
660 HA LEU 81 HA LEU 81 18.624 12.302 4.460
661 HB2 LEU 81 1HB LEU 81 16.806 13.697 6.200
662 HB3 LEU 81 2HB LEU 81 16.279 12.031 5.970
663 HG LEU 81 HG LEU 81 18.883 11.621 6.519
664 HD11 LEU 81 1HD1 LEU 81 19.894 13.244 7.664
665 HD12 LEU 81 2HD1 LEU 81 18.454 13.584 8.623
666 HD13 LEU 81 3HD1 LEU 81 18.643 14.314 7.029
667 HD21 LEU 81 3HD2 LEU 81 17.563 10.353 7.830
668 HD22 LEU 81 1HD2 LEU 81 16.385 11.643 8.076
669 HD23 LEU 81 2HD2 LEU 81 17.873 11.615 9.024
670 H GLN 82 H GLN 82 15.429 13.460 3.485
671 HA GLN 82 HA GLN 82 14.389 10.924 2.773
672 HB2 GLN 82 1HB GLN 82 12.894 12.774 3.192
673 HB3 GLN 82 2HB GLN 82 13.620 13.710 1.891
674 HG2 GLN 82 1HG GLN 82 12.756 12.183 0.245
675 HG3 GLN 82 2HG GLN 82 12.136 11.121 1.508
676 HE21 GLN 82 2HE2 GLN 82 11.621 13.974 -0.332
677 HE22 GLN 82 1HE2 GLN 82 10.053 14.355 0.285
678 H ASP 83 H ASP 83 16.526 13.124 1.201
679 HA ASP 83 HA ASP 83 16.124 11.956 -1.427
680 HB2 ASP 83 1HB ASP 83 17.788 14.200 -0.340
681 HB3 ASP 83 2HB ASP 83 18.176 13.509 -1.913
682 H VAL 84 H VAL 84 18.647 12.075 1.061
683 HA VAL 84 HA VAL 84 20.454 10.397 -0.388
684 HB VAL 84 HB VAL 84 21.815 10.385 1.595
685 HG11 VAL 84 1HG1 VAL 84 22.451 12.494 1.269
686 HG12 VAL 84 2HG1 VAL 84 21.019 12.678 0.255
687 HG13 VAL 84 3HG1 VAL 84 20.958 13.127 1.960
688 HG21 VAL 84 3HG2 VAL 84 19.260 10.857 2.916
689 HG22 VAL 84 1HG2 VAL 84 20.745 10.142 3.543
690 HG23 VAL 84 2HG2 VAL 84 20.553 11.895 3.515
691 H HIS 85 H HIS 85 17.786 9.863 1.734
692 HA HIS 85 HA HIS 85 18.369 7.387 2.835
693 HB2 HIS 85 1HB HIS 85 16.401 8.568 3.532
694 HB3 HIS 85 2HB HIS 85 15.734 8.533 1.903
695 HD1 HIS 85 HD1 HIS 85 14.891 6.168 1.043
696 HD2 HIS 85 HD2 HIS 85 15.824 6.376 5.086
697 HE1 HIS 85 HE1 HIS 85 13.843 4.131 2.080
Start of MODEL 9
1 H1 GLY -3 H GLY -3 6.565 2.210 11.045
2 HA2 GLY -3 1HA GLY -3 5.033 3.822 9.893
3 HA3 GLY -3 2HA GLY -3 6.269 5.030 10.210
4 HA PRO -2 HA PRO -2 6.866 3.055 5.983
5 HB2 PRO -2 1HB PRO -2 6.552 5.331 4.538
6 HB3 PRO -2 2HB PRO -2 5.204 4.269 4.962
7 HG2 PRO -2 1HG PRO -2 6.089 6.818 6.260
8 HG3 PRO -2 2HG PRO -2 4.447 6.270 5.875
9 HD2 PRO -2 1HD PRO -2 5.495 6.094 8.366
10 HD3 PRO -2 2HD PRO -2 4.328 4.914 7.736
11 H GLY -1 H GLY -1 8.375 4.138 4.192
12 HA2 GLY -1 1HA GLY -1 10.620 5.440 5.602
13 HA3 GLY -1 2HA GLY -1 10.877 4.096 4.499
14 H SER 0 H SER 0 12.145 5.175 3.035
15 HA SER 0 HA SER 0 10.728 6.950 1.229
16 HB2 SER 0 1HB SER 0 11.579 8.720 2.448
17 HB3 SER 0 2HB SER 0 13.013 7.824 2.948
18 HG SER 0 HG SER 0 14.021 8.542 1.253
19 H MET 1 H MET 1 11.812 7.226 -0.812
20 HA MET 1 HA MET 1 14.015 5.342 -1.294
21 HB2 MET 1 1HB MET 1 11.503 5.605 -2.956
22 HB3 MET 1 2HB MET 1 12.921 4.680 -3.430
23 HG2 MET 1 1HG MET 1 12.623 3.169 -1.595
24 HG3 MET 1 2HG MET 1 11.314 4.154 -0.944
25 HE1 MET 1 3HE MET 1 12.479 2.038 -4.033
26 HE2 MET 1 1HE MET 1 10.993 1.933 -4.977
27 HE3 MET 1 2HE MET 1 11.811 3.484 -4.791
28 H LYS 2 H LYS 2 15.544 6.924 -1.551
29 HA LYS 2 HA LYS 2 15.343 8.484 -4.010
30 HB2 LYS 2 1HB LYS 2 15.942 9.672 -1.298
31 HB3 LYS 2 2HB LYS 2 16.255 10.499 -2.818
32 HG2 LYS 2 1HG LYS 2 13.545 9.547 -1.915
33 HG3 LYS 2 2HG LYS 2 14.152 11.194 -1.729
34 HD2 LYS 2 1HD LYS 2 14.593 10.872 -4.347
35 HD3 LYS 2 2HD LYS 2 13.232 9.764 -4.156
36 HE2 LYS 2 1HE LYS 2 13.276 12.666 -3.330
37 HE3 LYS 2 2HE LYS 2 12.494 12.019 -4.771
38 HZ1 LYS 2 3HZ LYS 2 10.720 11.463 -3.588
39 HZ2 LYS 2 1HZ LYS 2 11.382 12.293 -2.270
40 HZ3 LYS 2 2HZ LYS 2 11.647 10.631 -2.443
41 H GLU 3 H GLU 3 17.572 9.746 -4.241
42 HA GLU 3 HA GLU 3 19.784 8.083 -3.293
43 HB2 GLU 3 1HB GLU 3 20.676 7.678 -5.443
44 HB3 GLU 3 2HB GLU 3 18.968 7.278 -5.561
45 HG2 GLU 3 1HG GLU 3 18.924 9.876 -6.297
46 HG3 GLU 3 2HG GLU 3 20.513 9.392 -6.886
47 H ILE 4 H ILE 4 21.778 9.128 -3.213
48 HA ILE 4 HA ILE 4 21.683 12.032 -3.714
49 HB ILE 4 HB ILE 4 21.728 11.494 -1.307
50 HG12 ILE 4 1HG1 ILE 4 23.086 13.426 -2.555
51 HG13 ILE 4 2HG1 ILE 4 23.150 13.217 -0.808
52 HG21 ILE 4 1HG2 ILE 4 24.358 10.174 -1.963
53 HG22 ILE 4 2HG2 ILE 4 23.768 10.503 -0.335
54 HG23 ILE 4 3HG2 ILE 4 22.897 9.380 -1.378
55 HD11 ILE 4 3HD1 ILE 4 25.251 12.122 -0.939
56 HD12 ILE 4 1HD1 ILE 4 25.154 12.017 -2.697
57 HD13 ILE 4 2HD1 ILE 4 25.352 13.587 -1.916
58 H ILE 5 H ILE 5 23.330 12.948 -4.821
59 HA ILE 5 HA ILE 5 25.686 11.303 -5.433
60 HB ILE 5 HB ILE 5 24.404 13.009 -7.548
61 HG12 ILE 5 1HG1 ILE 5 23.905 10.073 -7.014
62 HG13 ILE 5 2HG1 ILE 5 22.722 11.369 -6.874
63 HG21 ILE 5 1HG2 ILE 5 26.734 12.378 -7.870
64 HG22 ILE 5 2HG2 ILE 5 26.313 10.678 -7.663
65 HG23 ILE 5 3HG2 ILE 5 25.699 11.576 -9.052
66 HD11 ILE 5 3HD1 ILE 5 24.052 10.410 -9.396
67 HD12 ILE 5 1HD1 ILE 5 22.371 10.166 -8.921
68 HD13 ILE 5 2HD1 ILE 5 22.957 11.788 -9.292
69 H LEU 6 H LEU 6 27.583 12.466 -5.936
70 HA LEU 6 HA LEU 6 27.476 15.340 -5.296
71 HB2 LEU 6 1HB LEU 6 30.013 14.544 -4.591
72 HB3 LEU 6 2HB LEU 6 28.676 14.865 -3.487
73 HG LEU 6 HG LEU 6 29.046 12.122 -4.621
74 HD11 LEU 6 1HD1 LEU 6 30.782 11.572 -3.300
75 HD12 LEU 6 2HD1 LEU 6 30.286 12.665 -2.008
76 HD13 LEU 6 3HD1 LEU 6 31.150 13.294 -3.411
77 HD21 LEU 6 3HD2 LEU 6 28.299 11.997 -1.971
78 HD22 LEU 6 1HD2 LEU 6 27.223 11.871 -3.362
79 HD23 LEU 6 2HD2 LEU 6 27.456 13.428 -2.566
80 H TYR 7 H TYR 7 28.004 16.485 -7.027
81 HA TYR 7 HA TYR 7 29.809 15.327 -9.023
82 HB2 TYR 7 1HB TYR 7 27.919 17.681 -9.145
83 HB3 TYR 7 2HB TYR 7 29.012 17.238 -10.451
84 HD1 TYR 7 HD1 TYR 7 28.633 15.205 -11.755
85 HD2 TYR 7 HD2 TYR 7 25.942 16.374 -8.674
86 HE1 TYR 7 HE1 TYR 7 26.954 13.637 -12.634
87 HE2 TYR 7 HE2 TYR 7 24.257 14.809 -9.544
88 HH TYR 7 HH TYR 7 23.696 13.665 -11.600
89 H THR 8 H THR 8 31.883 15.766 -8.666
90 HA THR 8 HA THR 8 32.895 18.393 -8.763
91 HB THR 8 HB THR 8 33.967 17.772 -6.264
92 HG1 THR 8 HG1 THR 8 31.181 17.759 -5.901
93 HG21 THR 8 3HG2 THR 8 31.671 19.651 -6.429
94 HG22 THR 8 1HG2 THR 8 33.062 19.963 -7.466
95 HG23 THR 8 2HG2 THR 8 33.267 19.878 -5.717
96 H ARG 9 H ARG 9 35.335 18.325 -7.901
97 HA ARG 9 HA ARG 9 36.532 16.082 -9.310
98 HB2 ARG 9 1HB ARG 9 38.655 17.388 -8.982
99 HB3 ARG 9 2HB ARG 9 37.407 18.222 -9.898
100 HG2 ARG 9 1HG ARG 9 36.974 19.723 -8.198
101 HG3 ARG 9 2HG ARG 9 37.643 18.664 -6.955
102 HD2 ARG 9 1HD ARG 9 39.342 20.179 -7.124
103 HD3 ARG 9 2HD ARG 9 39.859 19.018 -8.346
104 HE ARG 9 HE ARG 9 38.197 21.098 -9.406
105 HH11 ARG 9 1HH1 ARG 9 41.449 20.240 -8.506
106 HH12 ARG 9 2HH1 ARG 9 42.187 21.379 -9.583
107 HH21 ARG 9 1HH2 ARG 9 39.157 22.602 -10.828
108 HH22 ARG 9 2HH2 ARG 9 40.882 22.723 -10.902
109 HA PRO 10 HA PRO 10 37.845 13.809 -5.793
110 HB2 PRO 10 1HB PRO 10 40.243 12.852 -6.632
111 HB3 PRO 10 2HB PRO 10 38.700 12.258 -7.257
112 HG2 PRO 10 1HG PRO 10 40.593 14.242 -8.458
113 HG3 PRO 10 2HG PRO 10 39.716 12.915 -9.242
114 HD2 PRO 10 1HD PRO 10 38.891 15.490 -9.382
115 HD3 PRO 10 2HD PRO 10 37.758 14.123 -9.380
116 H ASN 11 H ASN 11 39.613 13.572 -4.191
117 HA ASN 11 HA ASN 11 41.087 14.433 -2.688
118 HB2 ASN 11 1HB ASN 11 42.123 16.332 -4.771
119 HB3 ASN 11 2HB ASN 11 43.003 15.512 -3.484
120 HD21 ASN 11 2HD2 ASN 11 43.009 15.664 -6.595
121 HD22 ASN 11 1HD2 ASN 11 43.260 14.015 -7.047
122 H CYS 12 H CYS 12 38.460 15.792 -3.444
123 HA CYS 12 HA CYS 12 38.909 18.561 -2.753
124 HB2 CYS 12 1HB CYS 12 36.413 18.701 -2.836
125 HB3 CYS 12 2HB CYS 12 37.141 18.089 -4.318
126 HA PRO 13 HA PRO 13 38.772 17.703 1.619
127 HB2 PRO 13 1HB PRO 13 39.023 20.288 2.410
128 HB3 PRO 13 2HB PRO 13 40.387 19.324 1.830
129 HG2 PRO 13 1HG PRO 13 38.736 21.345 0.363
130 HG3 PRO 13 2HG PRO 13 40.494 21.111 0.347
131 HD2 PRO 13 1HD PRO 13 38.885 20.199 -1.631
132 HD3 PRO 13 2HD PRO 13 40.374 19.361 -1.148
133 H TYR 14 H TYR 14 36.926 20.406 0.213
134 HA TYR 14 HA TYR 14 35.099 20.808 2.245
135 HB2 TYR 14 1HB TYR 14 34.727 21.042 -0.745
136 HB3 TYR 14 2HB TYR 14 33.558 21.627 0.433
137 HD1 TYR 14 HD2 TYR 14 36.992 22.082 -0.855
138 HD2 TYR 14 HD1 TYR 14 33.887 23.688 1.571
139 HE1 TYR 14 HE2 TYR 14 38.215 24.210 -0.708
140 HE2 TYR 14 HE1 TYR 14 35.101 25.822 1.723
141 HH TYR 14 HH TYR 14 37.006 26.980 0.014
142 H CYS 15 H CYS 15 35.132 18.345 -0.260
143 HA CYS 15 HA CYS 15 32.543 17.364 -0.027
144 HB2 CYS 15 1HB CYS 15 35.093 15.835 -0.589
145 HB3 CYS 15 2HB CYS 15 33.466 15.226 -0.877
146 H LYS 16 H LYS 16 35.231 17.083 2.129
147 HA LYS 16 HA LYS 16 34.704 14.793 3.553
148 HB2 LYS 16 1HB LYS 16 35.697 17.483 4.488
149 HB3 LYS 16 2HB LYS 16 35.619 16.084 5.551
150 HG2 LYS 16 1HG LYS 16 37.181 14.883 4.190
151 HG3 LYS 16 2HG LYS 16 37.155 16.152 2.964
152 HD2 LYS 16 1HD LYS 16 39.087 16.672 4.103
153 HD3 LYS 16 2HD LYS 16 37.910 17.677 4.953
154 HE2 LYS 16 1HE LYS 16 39.122 16.661 6.668
155 HE3 LYS 16 2HE LYS 16 37.659 15.685 6.550
156 HZ1 LYS 16 3HZ LYS 16 40.377 15.025 5.585
157 HZ2 LYS 16 1HZ LYS 16 39.008 14.193 5.040
158 HZ3 LYS 16 2HZ LYS 16 39.416 14.167 6.682
159 H ARG 17 H ARG 17 33.157 17.958 3.877
160 HA ARG 17 HA ARG 17 31.590 17.351 6.137
161 HB2 ARG 17 1HB ARG 17 31.275 19.365 3.917
162 HB3 ARG 17 2HB ARG 17 30.125 19.247 5.242
163 HG2 ARG 17 1HG ARG 17 31.891 19.723 6.843
164 HG3 ARG 17 2HG ARG 17 33.072 19.794 5.533
165 HD2 ARG 17 1HD ARG 17 31.937 21.702 4.570
166 HD3 ARG 17 2HD ARG 17 30.667 21.595 5.788
167 HE ARG 17 HE ARG 17 33.055 21.870 7.158
168 HH11 ARG 17 1HH1 ARG 17 31.180 23.706 4.871
169 HH12 ARG 17 2HH1 ARG 17 31.727 25.242 5.457
170 HH21 ARG 17 1HH2 ARG 17 33.782 23.885 7.940
171 HH22 ARG 17 2HH2 ARG 17 33.208 25.342 7.203
172 H ALA 18 H ALA 18 30.718 17.374 2.679
173 HA ALA 18 HA ALA 18 28.111 16.409 2.980
174 HB1 ALA 18 1HB ALA 18 30.054 16.549 0.738
175 HB2 ALA 18 2HB ALA 18 28.637 15.517 0.544
176 HB3 ALA 18 3HB ALA 18 28.436 17.237 0.881
177 H ARG 19 H ARG 19 31.028 14.587 2.017
178 HA ARG 19 HA ARG 19 29.918 12.056 1.977
179 HB2 ARG 19 1HB ARG 19 32.126 11.197 2.082
180 HB3 ARG 19 2HB ARG 19 32.245 12.742 1.250
181 HG2 ARG 19 1HG ARG 19 33.034 13.802 3.290
182 HG3 ARG 19 2HG ARG 19 32.872 12.274 4.158
183 HD2 ARG 19 1HD ARG 19 34.428 11.407 2.210
184 HD3 ARG 19 2HD ARG 19 34.880 13.109 2.126
185 HE ARG 19 HE ARG 19 34.975 12.057 4.789
186 HH11 ARG 19 1HH1 ARG 19 36.719 12.355 1.790
187 HH12 ARG 19 2HH1 ARG 19 38.278 12.193 2.530
188 HH21 ARG 19 1HH2 ARG 19 37.021 11.842 5.774
189 HH22 ARG 19 2HH2 ARG 19 38.448 11.901 4.796
190 H ASP 20 H ASP 20 31.067 13.941 4.709
191 HA ASP 20 HA ASP 20 30.955 11.833 6.614
192 HB2 ASP 20 1HB ASP 20 32.316 13.754 7.096
193 HB3 ASP 20 2HB ASP 20 30.938 14.839 6.925
194 H LEU 21 H LEU 21 28.665 14.271 5.514
195 HA LEU 21 HA LEU 21 26.702 13.870 7.491
196 HB2 LEU 21 1HB LEU 21 26.884 15.758 5.803
197 HB3 LEU 21 2HB LEU 21 26.155 14.653 4.640
198 HG LEU 21 HG LEU 21 24.530 14.740 6.991
199 HD11 LEU 21 1HD1 LEU 21 25.650 17.323 6.111
200 HD12 LEU 21 2HD1 LEU 21 24.992 16.840 7.674
201 HD13 LEU 21 3HD1 LEU 21 23.904 17.267 6.353
202 HD21 LEU 21 3HD2 LEU 21 22.874 15.609 5.318
203 HD22 LEU 21 1HD2 LEU 21 23.658 14.092 4.875
204 HD23 LEU 21 2HD2 LEU 21 24.176 15.604 4.127
205 H LEU 22 H LEU 22 26.908 12.575 4.175
206 HA LEU 22 HA LEU 22 24.663 10.884 4.408
207 HB2 LEU 22 1HB LEU 22 27.061 10.684 2.592
208 HB3 LEU 22 2HB LEU 22 25.573 9.756 2.408
209 HG LEU 22 HG LEU 22 25.014 11.368 0.956
210 HD11 LEU 22 1HD1 LEU 22 23.733 13.132 1.879
211 HD12 LEU 22 2HD1 LEU 22 24.668 13.123 3.375
212 HD13 LEU 22 3HD1 LEU 22 23.597 11.774 2.997
213 HD21 LEU 22 3HD2 LEU 22 26.347 13.722 2.015
214 HD22 LEU 22 1HD2 LEU 22 26.439 12.993 0.412
215 HD23 LEU 22 2HD2 LEU 22 27.463 12.389 1.715
216 H ASP 23 H ASP 23 28.136 10.274 4.806
217 HA ASP 23 HA ASP 23 27.954 7.516 5.296
218 HB2 ASP 23 1HB ASP 23 30.061 8.756 4.782
219 HB3 ASP 23 2HB ASP 23 30.016 9.428 6.410
220 H LYS 24 H LYS 24 27.508 10.293 7.371
221 HA LYS 24 HA LYS 24 27.539 8.802 9.821
222 HB2 LYS 24 1HB LYS 24 26.877 11.613 9.041
223 HB3 LYS 24 2HB LYS 24 26.357 11.020 10.614
224 HG2 LYS 24 1HG LYS 24 29.206 10.826 9.688
225 HG3 LYS 24 2HG LYS 24 28.570 12.246 10.521
226 HD2 LYS 24 1HD LYS 24 28.252 9.494 11.673
227 HD3 LYS 24 2HD LYS 24 29.733 10.422 11.920
228 HE2 LYS 24 1HE LYS 24 27.041 11.603 12.516
229 HE3 LYS 24 2HE LYS 24 27.865 10.577 13.690
230 HZ1 LYS 24 3HZ LYS 24 28.213 13.117 13.767
231 HZ2 LYS 24 1HZ LYS 24 29.281 12.858 12.481
232 HZ3 LYS 24 2HZ LYS 24 29.550 12.101 13.969
233 H LYS 25 H LYS 25 25.079 9.937 7.580
234 HA LYS 25 HA LYS 25 22.853 9.266 9.228
235 HB2 LYS 25 1HB LYS 25 23.285 10.199 6.464
236 HB3 LYS 25 2HB LYS 25 21.835 9.232 6.703
237 HG2 LYS 25 1HG LYS 25 21.274 11.544 6.949
238 HG3 LYS 25 2HG LYS 25 21.169 10.767 8.530
239 HD2 LYS 25 1HD LYS 25 23.588 11.582 8.857
240 HD3 LYS 25 2HD LYS 25 23.262 12.650 7.490
241 HE2 LYS 25 1HE LYS 25 21.747 13.908 8.659
242 HE3 LYS 25 2HE LYS 25 21.298 12.576 9.722
243 HZ1 LYS 25 3HZ LYS 25 22.632 13.472 11.229
244 HZ2 LYS 25 1HZ LYS 25 23.224 14.616 10.132
245 HZ3 LYS 25 2HZ LYS 25 23.955 13.095 10.244
246 H GLY 26 H GLY 26 24.774 7.546 6.858
247 HA2 GLY 26 1HA GLY 26 24.980 5.185 6.854
248 HA3 GLY 26 2HA GLY 26 23.411 5.073 7.638
249 H VAL 27 H VAL 27 24.483 6.714 4.666
250 HA VAL 27 HA VAL 27 22.545 5.071 3.174
251 HB VAL 27 HB VAL 27 22.368 7.191 1.672
252 HG11 VAL 27 1HG1 VAL 27 20.493 6.243 2.868
253 HG12 VAL 27 2HG1 VAL 27 21.027 7.006 4.367
254 HG13 VAL 27 3HG1 VAL 27 20.467 7.999 3.021
255 HG21 VAL 27 3HG2 VAL 27 22.663 8.772 4.142
256 HG22 VAL 27 1HG2 VAL 27 24.163 8.217 3.400
257 HG23 VAL 27 2HG2 VAL 27 23.030 9.197 2.470
258 H LYS 28 H LYS 28 22.963 5.415 0.701
259 HA LYS 28 HA LYS 28 25.856 5.065 0.275
260 HB2 LYS 28 1HB LYS 28 23.446 3.767 -0.917
261 HB3 LYS 28 2HB LYS 28 24.883 3.937 -1.917
262 HG2 LYS 28 1HG LYS 28 25.268 1.882 -1.023
263 HG3 LYS 28 2HG LYS 28 26.063 2.887 0.190
264 HD2 LYS 28 1HD LYS 28 24.798 1.594 1.575
265 HD3 LYS 28 2HD LYS 28 23.622 2.868 1.243
266 HE2 LYS 28 1HE LYS 28 22.444 0.861 0.938
267 HE3 LYS 28 2HE LYS 28 22.834 1.409 -0.691
268 HZ1 LYS 28 3HZ LYS 28 23.509 -1.021 0.542
269 HZ2 LYS 28 1HZ LYS 28 24.939 -0.190 0.187
270 HZ3 LYS 28 2HZ LYS 28 23.826 -0.521 -1.042
271 H TYR 29 H TYR 29 26.717 6.878 -0.507
272 HA TYR 29 HA TYR 29 25.172 8.489 -2.411
273 HB2 TYR 29 1HB TYR 29 26.808 10.268 -1.944
274 HB3 TYR 29 2HB TYR 29 26.042 9.691 -0.468
275 HD1 TYR 29 HD1 TYR 29 29.141 9.478 -2.492
276 HD2 TYR 29 HD2 TYR 29 27.332 8.809 1.300
277 HE1 TYR 29 HE1 TYR 29 31.359 9.060 -1.515
278 HE2 TYR 29 HE2 TYR 29 29.545 8.391 2.289
279 HH TYR 29 HH TYR 29 32.503 8.620 0.335
280 H THR 30 H THR 30 25.987 9.064 -4.416
281 HA THR 30 HA THR 30 28.172 7.355 -5.387
282 HB THR 30 HB THR 30 25.943 8.721 -6.905
283 HG1 THR 30 HG1 THR 30 26.499 6.033 -6.177
284 HG21 THR 30 3HG2 THR 30 28.357 7.199 -7.842
285 HG22 THR 30 1HG2 THR 30 27.746 8.754 -8.403
286 HG23 THR 30 2HG2 THR 30 26.883 7.270 -8.807
287 H ASP 31 H ASP 31 30.035 8.228 -6.025
288 HA ASP 31 HA ASP 31 30.298 11.130 -6.005
289 HB2 ASP 31 1HB ASP 31 32.004 10.094 -4.757
290 HB3 ASP 31 2HB ASP 31 32.266 8.854 -5.980
291 H ILE 32 H ILE 32 30.799 12.366 -7.746
292 HA ILE 32 HA ILE 32 31.111 10.988 -10.332
293 HB ILE 32 HB ILE 32 29.586 13.556 -9.882
294 HG12 ILE 32 1HG1 ILE 32 28.461 11.506 -8.977
295 HG13 ILE 32 2HG1 ILE 32 27.571 12.300 -10.271
296 HG21 ILE 32 1HG2 ILE 32 30.433 12.038 -12.284
297 HG22 ILE 32 2HG2 ILE 32 28.827 12.766 -12.304
298 HG23 ILE 32 3HG2 ILE 32 30.250 13.776 -12.046
299 HD11 ILE 32 3HD1 ILE 32 29.413 10.151 -11.087
300 HD12 ILE 32 1HD1 ILE 32 27.992 9.664 -10.164
301 HD13 ILE 32 2HD1 ILE 32 27.800 10.555 -11.675
302 H ASP 33 H ASP 33 32.940 11.478 -11.330
303 HA ASP 33 HA ASP 33 34.810 13.321 -10.367
304 HB2 ASP 33 1HB ASP 33 34.517 11.838 -12.962
305 HB3 ASP 33 2HB ASP 33 35.804 13.022 -12.755
306 H ALA 34 H ALA 34 35.396 15.376 -10.976
307 HA ALA 34 HA ALA 34 33.368 17.116 -11.848
308 HB1 ALA 34 1HB ALA 34 34.931 18.167 -10.529
309 HB2 ALA 34 2HB ALA 34 36.295 17.402 -11.345
310 HB3 ALA 34 3HB ALA 34 35.416 18.712 -12.135
311 H SER 35 H SER 35 35.510 15.130 -13.599
312 HA SER 35 HA SER 35 36.051 16.514 -15.912
313 HB2 SER 35 1HB SER 35 35.512 13.617 -15.356
314 HB3 SER 35 2HB SER 35 35.732 14.158 -17.020
315 HG SER 35 HG SER 35 37.776 13.968 -16.566
316 H THR 36 H THR 36 34.616 17.786 -16.914
317 HA THR 36 HA THR 36 31.869 17.523 -17.014
318 HB THR 36 HB THR 36 31.982 18.928 -19.108
319 HG1 THR 36 HG1 THR 36 34.236 19.747 -19.442
320 HG21 THR 36 3HG2 THR 36 33.584 19.796 -16.701
321 HG22 THR 36 1HG2 THR 36 31.851 19.999 -16.949
322 HG23 THR 36 2HG2 THR 36 32.995 20.885 -17.957
323 H SER 37 H SER 37 34.297 15.884 -18.882
324 HA SER 37 HA SER 37 32.940 15.084 -21.133
325 HB2 SER 37 1HB SER 37 34.760 13.298 -19.503
326 HB3 SER 37 2HB SER 37 34.430 13.181 -21.231
327 HG SER 37 HG SER 37 36.423 14.251 -20.737
328 H LEU 38 H LEU 38 32.555 13.962 -17.847
329 HA LEU 38 HA LEU 38 30.381 12.193 -18.757
330 HB2 LEU 38 1HB LEU 38 32.445 11.816 -16.626
331 HB3 LEU 38 2HB LEU 38 30.880 11.016 -16.495
332 HG LEU 38 HG LEU 38 32.719 10.680 -18.857
333 HD11 LEU 38 1HD1 LEU 38 32.397 8.718 -16.609
334 HD12 LEU 38 2HD1 LEU 38 33.676 9.932 -16.619
335 HD13 LEU 38 3HD1 LEU 38 33.595 8.727 -17.904
336 HD21 LEU 38 3HD2 LEU 38 31.345 8.674 -19.238
337 HD22 LEU 38 1HD2 LEU 38 30.397 10.159 -19.307
338 HD23 LEU 38 2HD2 LEU 38 30.323 9.132 -17.875
339 H ARG 39 H ARG 39 31.499 14.515 -16.383
340 HA ARG 39 HA ARG 39 29.272 14.433 -14.660
341 HB2 ARG 39 1HB ARG 39 31.496 15.521 -14.188
342 HB3 ARG 39 2HB ARG 39 30.998 16.842 -15.237
343 HG2 ARG 39 1HG ARG 39 28.883 16.724 -13.567
344 HG3 ARG 39 2HG ARG 39 30.178 16.190 -12.493
345 HD2 ARG 39 1HD ARG 39 29.947 18.583 -12.333
346 HD3 ARG 39 2HD ARG 39 31.474 18.198 -13.124
347 HE ARG 39 HE ARG 39 30.696 19.178 -15.053
348 HH11 ARG 39 1HH1 ARG 39 28.074 18.774 -12.799
349 HH12 ARG 39 2HH1 ARG 39 26.963 19.736 -13.717
350 HH21 ARG 39 1HH2 ARG 39 29.243 20.447 -16.271
351 HH22 ARG 39 2HH2 ARG 39 27.629 20.687 -15.692
352 H GLN 40 H GLN 40 29.995 16.470 -17.476
353 HA GLN 40 HA GLN 40 27.739 18.108 -17.364
354 HB2 GLN 40 1HB GLN 40 29.814 18.296 -18.867
355 HB3 GLN 40 2HB GLN 40 28.980 17.184 -19.946
356 HG2 GLN 40 1HG GLN 40 27.766 19.770 -19.022
357 HG3 GLN 40 2HG GLN 40 28.762 19.639 -20.470
358 HE21 GLN 40 2HE2 GLN 40 25.787 20.110 -19.787
359 HE22 GLN 40 1HE2 GLN 40 24.965 19.094 -20.917
360 H GLU 41 H GLU 41 28.204 14.938 -18.854
361 HA GLU 41 HA GLU 41 25.671 14.823 -20.121
362 HB2 GLU 41 1HB GLU 41 27.202 12.404 -19.199
363 HB3 GLU 41 2HB GLU 41 26.170 12.576 -20.612
364 HG2 GLU 41 1HG GLU 41 27.917 14.288 -21.411
365 HG3 GLU 41 2HG GLU 41 28.961 13.562 -20.190
366 H MET 42 H MET 42 26.875 13.507 -17.046
367 HA MET 42 HA MET 42 24.488 12.257 -16.257
368 HB2 MET 42 1HB MET 42 26.755 13.386 -14.610
369 HB3 MET 42 2HB MET 42 25.451 12.412 -13.945
370 HG2 MET 42 1HG MET 42 26.786 11.197 -16.241
371 HG3 MET 42 2HG MET 42 27.837 11.461 -14.851
372 HE1 MET 42 3HE MET 42 28.343 9.825 -13.507
373 HE2 MET 42 1HE MET 42 27.389 8.453 -12.943
374 HE3 MET 42 2HE MET 42 28.033 8.463 -14.585
375 H VAL 43 H VAL 43 25.800 15.447 -15.358
376 HA VAL 43 HA VAL 43 23.612 16.260 -13.797
377 HB VAL 43 HB VAL 43 25.886 17.351 -13.867
378 HG11 VAL 43 1HG1 VAL 43 26.048 17.529 -16.316
379 HG12 VAL 43 2HG1 VAL 43 24.749 18.724 -16.301
380 HG13 VAL 43 3HG1 VAL 43 26.288 19.082 -15.516
381 HG21 VAL 43 3HG2 VAL 43 23.540 19.219 -14.194
382 HG22 VAL 43 1HG2 VAL 43 23.919 18.325 -12.722
383 HG23 VAL 43 2HG2 VAL 43 25.040 19.546 -13.326
384 H GLN 44 H GLN 44 24.217 16.423 -17.248
385 HA GLN 44 HA GLN 44 22.157 18.223 -17.923
386 HB2 GLN 44 1HB GLN 44 23.596 17.960 -19.683
387 HB3 GLN 44 2HB GLN 44 23.821 16.242 -19.383
388 HG2 GLN 44 1HG GLN 44 21.979 15.643 -20.600
389 HG3 GLN 44 2HG GLN 44 21.172 17.189 -20.346
390 HE21 GLN 44 2HE2 GLN 44 22.219 19.075 -21.416
391 HE22 GLN 44 1HE2 GLN 44 22.871 18.834 -22.998
392 H ARG 45 H ARG 45 22.240 14.663 -17.980
393 HA ARG 45 HA ARG 45 19.434 14.482 -18.584
394 HB2 ARG 45 1HB ARG 45 21.262 12.816 -19.254
395 HB3 ARG 45 2HB ARG 45 21.180 12.234 -17.597
396 HG2 ARG 45 1HG ARG 45 19.719 10.790 -18.542
397 HG3 ARG 45 2HG ARG 45 18.593 12.101 -18.182
398 HD2 ARG 45 1HD ARG 45 20.029 12.114 -20.792
399 HD3 ARG 45 2HD ARG 45 18.686 10.993 -20.570
400 HE ARG 45 HE ARG 45 17.749 13.438 -19.736
401 HH11 ARG 45 1HH1 ARG 45 19.080 12.122 -22.672
402 HH12 ARG 45 2HH1 ARG 45 18.190 13.188 -23.707
403 HH21 ARG 45 1HH2 ARG 45 16.573 14.848 -21.089
404 HH22 ARG 45 2HH2 ARG 45 16.765 14.739 -22.806
405 H ALA 46 H ALA 46 21.197 15.035 -15.785
406 HA ALA 46 HA ALA 46 19.457 13.638 -13.956
407 HB1 ALA 46 1HB ALA 46 21.755 13.882 -13.326
408 HB2 ALA 46 2HB ALA 46 21.666 15.636 -13.501
409 HB3 ALA 46 3HB ALA 46 20.771 14.831 -12.212
410 H ASN 47 H ASN 47 19.959 16.981 -15.007
411 HA ASN 47 HA ASN 47 17.343 17.651 -13.841
412 HB2 ASN 47 1HB ASN 47 18.298 19.953 -13.380
413 HB3 ASN 47 2HB ASN 47 18.908 18.660 -12.352
414 HD21 ASN 47 2HD2 ASN 47 19.635 20.782 -15.025
415 HD22 ASN 47 1HD2 ASN 47 21.352 20.604 -14.953
416 H GLY 48 H GLY 48 19.803 18.370 -16.268
417 HA2 GLY 48 1HA GLY 48 18.299 18.566 -18.479
418 HA3 GLY 48 2HA GLY 48 18.015 20.130 -17.729
419 H ARG 49 H ARG 49 20.478 20.755 -16.716
420 HA ARG 49 HA ARG 49 22.610 20.349 -18.536
421 HB2 ARG 49 1HB ARG 49 22.680 22.378 -19.727
422 HB3 ARG 49 2HB ARG 49 21.010 21.843 -19.851
423 HG2 ARG 49 1HG ARG 49 20.506 23.363 -17.901
424 HG3 ARG 49 2HG ARG 49 22.129 24.023 -18.115
425 HD2 ARG 49 1HD ARG 49 19.961 23.967 -20.211
426 HD3 ARG 49 2HD ARG 49 20.427 25.373 -19.256
427 HE ARG 49 HE ARG 49 22.747 24.649 -20.422
428 HH11 ARG 49 1HH1 ARG 49 19.547 25.227 -21.666
429 HH12 ARG 49 2HH1 ARG 49 20.106 25.775 -23.212
430 HH21 ARG 49 1HH2 ARG 49 23.495 25.369 -22.453
431 HH22 ARG 49 2HH2 ARG 49 22.351 25.855 -23.659
432 H ASN 50 H ASN 50 24.496 21.709 -18.022
433 HA ASN 50 HA ASN 50 24.560 23.492 -15.854
434 HB2 ASN 50 1HB ASN 50 24.083 21.062 -14.849
435 HB3 ASN 50 2HB ASN 50 25.837 20.952 -14.972
436 HD21 ASN 50 2HD2 ASN 50 23.898 21.170 -12.681
437 HD22 ASN 50 1HD2 ASN 50 24.521 22.462 -11.718
438 H THR 51 H THR 51 26.729 24.145 -15.284
439 HA THR 51 HA THR 51 28.851 23.105 -17.018
440 HB THR 51 HB THR 51 29.504 25.211 -17.846
441 HG1 THR 51 HG1 THR 51 28.533 27.157 -17.080
442 HG21 THR 51 3HG2 THR 51 27.490 26.092 -18.960
443 HG22 THR 51 1HG2 THR 51 26.484 25.138 -17.871
444 HG23 THR 51 2HG2 THR 51 27.558 24.331 -19.014
445 H PHE 52 H PHE 52 28.052 23.252 -14.048
446 HA PHE 52 HA PHE 52 30.745 23.757 -13.096
447 HB2 PHE 52 1HB PHE 52 28.359 25.358 -12.201
448 HB3 PHE 52 2HB PHE 52 29.758 25.135 -11.156
449 HD1 PHE 52 HD2 PHE 52 28.499 26.701 -14.209
450 HD2 PHE 52 HD1 PHE 52 31.869 26.190 -11.660
451 HE1 PHE 52 HE2 PHE 52 29.622 28.585 -15.322
452 HE2 PHE 52 HE1 PHE 52 32.998 28.074 -12.769
453 HZ PHE 52 HZ PHE 52 31.874 29.274 -14.603
454 HA PRO 53 HA PRO 53 29.848 20.355 -10.471
455 HB2 PRO 53 1HB PRO 53 31.500 20.870 -8.379
456 HB3 PRO 53 2HB PRO 53 32.086 20.324 -9.955
457 HG2 PRO 53 1HG PRO 53 31.998 23.094 -8.823
458 HG3 PRO 53 2HG PRO 53 33.294 22.298 -9.735
459 HD2 PRO 53 1HD PRO 53 31.573 24.050 -10.876
460 HD3 PRO 53 2HD PRO 53 32.273 22.682 -11.766
461 H GLN 54 H GLN 54 28.768 19.735 -8.567
462 HA GLN 54 HA GLN 54 28.079 21.483 -6.471
463 HB2 GLN 54 1HB GLN 54 25.788 21.985 -6.934
464 HB3 GLN 54 2HB GLN 54 26.733 22.508 -8.322
465 HG2 GLN 54 1HG GLN 54 25.153 21.444 -9.493
466 HG3 GLN 54 2HG GLN 54 26.086 20.004 -9.086
467 HE21 GLN 54 2HE2 GLN 54 24.627 18.462 -8.789
468 HE22 GLN 54 1HE2 GLN 54 23.262 18.560 -7.734
469 H ILE 55 H ILE 55 25.981 20.544 -5.311
470 HA ILE 55 HA ILE 55 26.437 17.649 -5.153
471 HB ILE 55 HB ILE 55 25.142 19.521 -3.168
472 HG12 ILE 55 1HG1 ILE 55 27.238 18.605 -1.844
473 HG13 ILE 55 2HG1 ILE 55 27.877 18.349 -3.464
474 HG21 ILE 55 1HG2 ILE 55 25.383 17.472 -1.659
475 HG22 ILE 55 2HG2 ILE 55 24.081 17.460 -2.847
476 HG23 ILE 55 3HG2 ILE 55 25.560 16.550 -3.152
477 HD11 ILE 55 3HD1 ILE 55 26.787 20.995 -2.567
478 HD12 ILE 55 1HD1 ILE 55 28.471 20.526 -2.331
479 HD13 ILE 55 2HD1 ILE 55 27.807 20.643 -3.961
480 H PHE 56 H PHE 56 24.870 16.199 -5.566
481 HA PHE 56 HA PHE 56 22.236 17.255 -6.347
482 HB2 PHE 56 1HB PHE 56 24.008 15.641 -7.768
483 HB3 PHE 56 2HB PHE 56 22.771 14.526 -7.195
484 HD1 PHE 56 HD2 PHE 56 20.344 15.084 -7.691
485 HD2 PHE 56 HD1 PHE 56 23.617 17.019 -9.603
486 HE1 PHE 56 HE2 PHE 56 18.850 15.806 -9.508
487 HE2 PHE 56 HE1 PHE 56 22.128 17.746 -11.423
488 HZ PHE 56 HZ PHE 56 19.742 17.138 -11.377
489 H ILE 57 H ILE 57 20.405 16.461 -5.443
490 HA ILE 57 HA ILE 57 20.508 14.080 -3.776
491 HB ILE 57 HB ILE 57 19.516 15.185 -1.830
492 HG12 ILE 57 1HG1 ILE 57 20.166 17.890 -2.228
493 HG13 ILE 57 2HG1 ILE 57 19.311 17.393 -3.684
494 HG21 ILE 57 1HG2 ILE 57 21.909 14.858 -1.850
495 HG22 ILE 57 2HG2 ILE 57 22.139 16.373 -2.721
496 HG23 ILE 57 3HG2 ILE 57 21.530 16.392 -1.067
497 HD11 ILE 57 3HD1 ILE 57 18.187 18.194 -1.294
498 HD12 ILE 57 1HD1 ILE 57 17.361 17.394 -2.632
499 HD13 ILE 57 2HD1 ILE 57 17.999 16.440 -1.292
500 H GLY 58 H GLY 58 18.690 12.933 -3.975
501 HA2 GLY 58 1HA GLY 58 16.620 12.336 -4.794
502 HA3 GLY 58 2HA GLY 58 16.088 13.764 -3.920
503 H ASP 59 H ASP 59 17.905 13.150 -6.928
504 HA ASP 59 HA ASP 59 17.771 14.136 -8.983
505 HB2 ASP 59 1HB ASP 59 14.832 13.863 -8.325
506 HB3 ASP 59 2HB ASP 59 15.461 14.234 -9.928
507 H TYR 60 H TYR 60 18.081 15.948 -6.775
508 HA TYR 60 HA TYR 60 17.040 18.364 -8.057
509 HB2 TYR 60 1HB TYR 60 15.447 18.134 -6.337
510 HB3 TYR 60 2HB TYR 60 16.651 17.588 -5.175
511 HD1 TYR 60 HD2 TYR 60 15.691 20.574 -7.191
512 HD2 TYR 60 HD1 TYR 60 17.560 19.104 -3.663
513 HE1 TYR 60 HE2 TYR 60 15.926 22.877 -6.363
514 HE2 TYR 60 HE1 TYR 60 17.800 21.403 -2.825
515 HH TYR 60 HH TYR 60 16.273 23.774 -3.497
516 H HIS 61 H HIS 61 18.791 19.473 -8.603
517 HA HIS 61 HA HIS 61 21.307 19.151 -7.288
518 HB2 HIS 61 1HB HIS 61 21.999 21.049 -8.821
519 HB3 HIS 61 2HB HIS 61 21.380 19.607 -9.620
520 HD1 HIS 61 HD1 HIS 61 19.060 19.798 -10.776
521 HD2 HIS 61 HD2 HIS 61 20.461 23.350 -9.139
522 HE1 HIS 61 HE1 HIS 61 17.601 21.604 -11.741
523 H VAL 62 H VAL 62 22.011 20.161 -5.533
524 HA VAL 62 HA VAL 62 20.478 22.360 -4.421
525 HB VAL 62 HB VAL 62 22.862 20.852 -3.343
526 HG11 VAL 62 1HG1 VAL 62 21.202 23.033 -2.090
527 HG12 VAL 62 2HG1 VAL 62 22.311 21.991 -1.197
528 HG13 VAL 62 3HG1 VAL 62 22.928 23.073 -2.446
529 HG21 VAL 62 3HG2 VAL 62 21.358 19.686 -1.969
530 HG22 VAL 62 1HG2 VAL 62 20.046 20.818 -2.300
531 HG23 VAL 62 2HG2 VAL 62 20.589 19.705 -3.556
532 H GLY 63 H GLY 63 24.007 21.914 -4.526
533 HA2 GLY 63 1HA GLY 63 24.884 23.790 -6.228
534 HA3 GLY 63 2HA GLY 63 24.347 24.776 -4.876
535 H GLY 64 H GLY 64 25.683 25.063 -3.183
536 HA2 GLY 64 1HA GLY 64 28.347 23.930 -3.385
537 HA3 GLY 64 2HA GLY 64 27.822 25.173 -2.259
538 H CYS 65 H CYS 65 29.458 23.085 -1.463
539 HA CYS 65 HA CYS 65 28.115 20.866 -0.390
540 HB2 CYS 65 1HB CYS 65 30.692 21.456 -0.639
541 HB3 CYS 65 2HB CYS 65 30.490 21.984 1.027
542 HG CYS 65 HG CYS 65 29.195 19.288 1.474
543 H ASP 66 H ASP 66 29.184 23.856 1.231
544 HA ASP 66 HA ASP 66 28.088 23.346 3.731
545 HB2 ASP 66 1HB ASP 66 29.646 25.223 3.159
546 HB3 ASP 66 2HB ASP 66 28.287 26.062 2.417
547 H ASP 67 H ASP 67 26.548 24.303 0.781
548 HA ASP 67 HA ASP 67 24.216 25.492 1.668
549 HB2 ASP 67 1HB ASP 67 25.108 24.884 -0.753
550 HB3 ASP 67 2HB ASP 67 24.034 23.502 -0.550
551 H LEU 68 H LEU 68 24.723 22.016 1.043
552 HA LEU 68 HA LEU 68 22.243 21.121 1.928
553 HB2 LEU 68 1HB LEU 68 23.134 18.974 1.914
554 HB3 LEU 68 2HB LEU 68 24.104 19.847 0.728
555 HG LEU 68 HG LEU 68 25.691 20.169 2.838
556 HD11 LEU 68 1HD1 LEU 68 24.691 19.087 4.572
557 HD12 LEU 68 2HD1 LEU 68 25.610 17.744 3.893
558 HD13 LEU 68 3HD1 LEU 68 23.893 17.910 3.528
559 HD21 LEU 68 3HD2 LEU 68 25.870 17.469 1.645
560 HD22 LEU 68 1HD2 LEU 68 27.088 18.737 1.777
561 HD23 LEU 68 2HD2 LEU 68 25.848 18.832 0.526
562 H TYR 69 H TYR 69 25.164 21.869 3.734
563 HA TYR 69 HA TYR 69 24.317 20.767 6.206
564 HB2 TYR 69 1HB TYR 69 26.604 22.158 5.201
565 HB3 TYR 69 2HB TYR 69 26.079 22.944 6.686
566 HD1 TYR 69 HD2 TYR 69 26.791 19.545 5.316
567 HD2 TYR 69 HD1 TYR 69 26.801 22.099 8.719
568 HE1 TYR 69 HE2 TYR 69 27.888 17.779 6.631
569 HE2 TYR 69 HE1 TYR 69 27.899 20.341 10.043
570 HH TYR 69 HH TYR 69 27.915 17.492 9.664
571 H ALA 70 H ALA 70 24.388 24.126 5.017
572 HA ALA 70 HA ALA 70 23.240 25.373 7.205
573 HB1 ALA 70 1HB ALA 70 23.246 27.214 5.923
574 HB2 ALA 70 2HB ALA 70 24.094 26.195 4.760
575 HB3 ALA 70 3HB ALA 70 22.352 26.431 4.619
576 H LEU 71 H LEU 71 21.581 24.090 4.323
577 HA LEU 71 HA LEU 71 18.973 24.693 5.133
578 HB2 LEU 71 1HB LEU 71 19.921 22.405 3.413
579 HB3 LEU 71 2HB LEU 71 18.264 22.998 3.513
580 HG LEU 71 HG LEU 71 20.425 24.871 2.662
581 HD11 LEU 71 1HD1 LEU 71 20.938 23.082 1.229
582 HD12 LEU 71 2HD1 LEU 71 19.885 24.140 0.291
583 HD13 LEU 71 3HD1 LEU 71 19.239 22.663 1.006
584 HD21 LEU 71 3HD2 LEU 71 17.786 25.203 3.064
585 HD22 LEU 71 1HD2 LEU 71 17.781 24.739 1.362
586 HD23 LEU 71 2HD2 LEU 71 18.720 26.135 1.893
587 H GLU 72 H GLU 72 20.842 21.690 5.520
588 HA GLU 72 HA GLU 72 18.893 20.176 6.805
589 HB2 GLU 72 1HB GLU 72 20.901 19.124 6.021
590 HB3 GLU 72 2HB GLU 72 21.900 20.131 7.060
591 HG2 GLU 72 1HG GLU 72 20.858 19.054 9.029
592 HG3 GLU 72 2HG GLU 72 19.985 17.982 7.936
593 H ASN 73 H ASN 73 21.032 22.651 8.046
594 HA ASN 73 HA ASN 73 20.323 22.110 10.804
595 HB2 ASN 73 1HB ASN 73 22.606 22.921 10.055
596 HB3 ASN 73 2HB ASN 73 21.857 24.484 9.740
597 HD21 ASN 73 2HD2 ASN 73 21.576 25.864 11.376
598 HD22 ASN 73 1HD2 ASN 73 21.915 25.515 13.034
599 H LYS 74 H LYS 74 19.226 24.076 8.208
600 HA LYS 74 HA LYS 74 17.897 26.032 9.854
601 HB2 LYS 74 1HB LYS 74 18.328 25.573 6.991
602 HB3 LYS 74 2HB LYS 74 16.737 26.221 7.368
603 HG2 LYS 74 1HG LYS 74 18.261 28.021 6.892
604 HG3 LYS 74 2HG LYS 74 17.805 28.067 8.596
605 HD2 LYS 74 1HD LYS 74 19.949 26.714 9.002
606 HD3 LYS 74 2HD LYS 74 20.403 27.198 7.366
607 HE2 LYS 74 1HE LYS 74 19.524 29.233 9.381
608 HE3 LYS 74 2HE LYS 74 21.184 28.638 9.368
609 HZ1 LYS 74 3HZ LYS 74 21.335 30.445 7.994
610 HZ2 LYS 74 1HZ LYS 74 19.776 30.256 7.363
611 HZ3 LYS 74 2HZ LYS 74 21.024 29.232 6.856
612 H GLY 75 H GLY 75 17.177 22.911 8.595
613 HA2 GLY 75 1HA GLY 75 15.210 21.966 9.930
614 HA3 GLY 75 2HA GLY 75 14.313 23.285 9.190
615 H LYS 76 H LYS 76 16.486 22.410 6.926
616 HA LYS 76 HA LYS 76 14.497 20.915 5.439
617 HB2 LYS 76 1HB LYS 76 16.767 22.584 4.811
618 HB3 LYS 76 2HB LYS 76 16.872 21.059 3.942
619 HG2 LYS 76 1HG LYS 76 15.732 22.622 2.557
620 HG3 LYS 76 2HG LYS 76 14.550 21.441 3.127
621 HD2 LYS 76 1HD LYS 76 13.481 22.957 4.471
622 HD3 LYS 76 2HD LYS 76 14.934 23.929 4.714
623 HE2 LYS 76 1HE LYS 76 13.396 23.768 2.125
624 HE3 LYS 76 2HE LYS 76 13.193 25.042 3.328
625 HZ1 LYS 76 3HZ LYS 76 15.537 24.478 1.623
626 HZ2 LYS 76 1HZ LYS 76 15.691 25.383 3.044
627 HZ3 LYS 76 2HZ LYS 76 14.681 25.926 1.800
628 H LEU 77 H LEU 77 16.511 19.977 7.727
629 HA LEU 77 HA LEU 77 18.134 17.965 6.741
630 HB2 LEU 77 1HB LEU 77 18.383 18.490 8.999
631 HB3 LEU 77 2HB LEU 77 16.661 18.306 9.326
632 HG LEU 77 HG LEU 77 18.147 15.877 8.498
633 HD11 LEU 77 1HD1 LEU 77 19.049 15.485 10.683
634 HD12 LEU 77 2HD1 LEU 77 18.375 16.999 11.284
635 HD13 LEU 77 3HD1 LEU 77 19.671 17.024 10.088
636 HD21 LEU 77 3HD2 LEU 77 16.087 15.174 9.029
637 HD22 LEU 77 1HD2 LEU 77 15.726 16.627 9.960
638 HD23 LEU 77 2HD2 LEU 77 16.637 15.310 10.699
639 H ASP 78 H ASP 78 14.701 17.832 7.595
640 HA ASP 78 HA ASP 78 14.246 15.117 7.312
641 HB2 ASP 78 1HB ASP 78 12.382 17.365 6.518
642 HB3 ASP 78 2HB ASP 78 11.910 15.701 6.848
643 H SER 79 H SER 79 14.053 17.639 4.809
644 HA SER 79 HA SER 79 13.379 15.922 2.686
645 HB2 SER 79 1HB SER 79 13.136 18.391 2.611
646 HB3 SER 79 2HB SER 79 14.892 18.542 2.542
647 HG SER 79 HG SER 79 13.178 18.105 0.543
648 H LEU 80 H LEU 80 16.535 17.248 3.665
649 HA LEU 80 HA LEU 80 18.103 16.044 1.717
650 HB2 LEU 80 1HB LEU 80 18.574 17.074 4.456
651 HB3 LEU 80 2HB LEU 80 19.823 16.047 3.755
652 HG LEU 80 HG LEU 80 20.207 18.500 3.488
653 HD11 LEU 80 1HD1 LEU 80 21.500 17.729 1.859
654 HD12 LEU 80 2HD1 LEU 80 20.162 17.992 0.741
655 HD13 LEU 80 3HD1 LEU 80 20.373 16.419 1.510
656 HD21 LEU 80 3HD2 LEU 80 18.248 18.606 1.279
657 HD22 LEU 80 1HD2 LEU 80 18.797 19.874 2.374
658 HD23 LEU 80 2HD2 LEU 80 17.597 18.700 2.916
659 H LEU 81 H LEU 81 17.218 14.813 4.932
660 HA LEU 81 HA LEU 81 18.628 12.388 4.753
661 HB2 LEU 81 1HB LEU 81 16.780 13.637 6.549
662 HB3 LEU 81 2HB LEU 81 16.320 11.952 6.309
663 HG LEU 81 HG LEU 81 18.941 11.632 6.792
664 HD11 LEU 81 1HD1 LEU 81 18.557 13.560 8.919
665 HD12 LEU 81 2HD1 LEU 81 18.606 14.324 7.331
666 HD13 LEU 81 3HD1 LEU 81 19.944 13.304 7.860
667 HD21 LEU 81 3HD2 LEU 81 16.708 11.897 8.798
668 HD22 LEU 81 1HD2 LEU 81 18.279 11.179 9.151
669 HD23 LEU 81 2HD2 LEU 81 17.220 10.437 7.951
670 H GLN 82 H GLN 82 15.361 13.291 3.782
671 HA GLN 82 HA GLN 82 14.560 10.640 3.087
672 HB2 GLN 82 1HB GLN 82 12.843 12.211 3.624
673 HB3 GLN 82 2HB GLN 82 13.431 13.359 2.429
674 HG2 GLN 82 1HG GLN 82 12.782 11.834 0.638
675 HG3 GLN 82 2HG GLN 82 12.197 10.679 1.835
676 HE21 GLN 82 2HE2 GLN 82 11.756 13.975 0.655
677 HE22 GLN 82 1HE2 GLN 82 10.073 14.076 1.030
678 H ASP 83 H ASP 83 16.330 13.141 1.503
679 HA ASP 83 HA ASP 83 15.924 12.074 -1.155
680 HB2 ASP 83 1HB ASP 83 17.552 14.333 -0.020
681 HB3 ASP 83 2HB ASP 83 17.791 13.792 -1.679
682 H VAL 84 H VAL 84 18.287 11.868 1.405
683 HA VAL 84 HA VAL 84 20.219 10.501 -0.283
684 HB VAL 84 HB VAL 84 21.634 10.408 1.697
685 HG11 VAL 84 1HG1 VAL 84 20.364 13.008 0.951
686 HG12 VAL 84 2HG1 VAL 84 21.593 12.958 2.216
687 HG13 VAL 84 3HG1 VAL 84 21.980 12.404 0.587
688 HG21 VAL 84 3HG2 VAL 84 20.808 11.588 3.783
689 HG22 VAL 84 1HG2 VAL 84 19.188 11.456 3.098
690 HG23 VAL 84 2HG2 VAL 84 20.113 9.999 3.459
691 H HIS 85 H HIS 85 17.704 9.748 1.972
692 HA HIS 85 HA HIS 85 18.598 6.983 2.250
693 HB2 HIS 85 1HB HIS 85 17.759 8.192 4.244
694 HB3 HIS 85 2HB HIS 85 16.192 8.362 3.460
695 HD1 HIS 85 HD1 HIS 85 15.450 7.030 5.721
696 HD2 HIS 85 HD2 HIS 85 17.562 4.874 2.865
697 HE1 HIS 85 HE1 HIS 85 15.035 4.610 6.263
Start of MODEL 10
1 H1 GLY -3 H GLY -3 10.926 -7.876 -7.060
2 HA2 GLY -3 1HA GLY -3 10.880 -7.688 -4.311
3 HA3 GLY -3 2HA GLY -3 12.528 -8.147 -4.712
4 HA PRO -2 HA PRO -2 11.817 -3.838 -6.791
5 HB2 PRO -2 1HB PRO -2 9.500 -2.559 -6.185
6 HB3 PRO -2 2HB PRO -2 9.664 -3.646 -7.569
7 HG2 PRO -2 1HG PRO -2 8.499 -4.186 -4.865
8 HG3 PRO -2 2HG PRO -2 7.893 -4.666 -6.461
9 HD2 PRO -2 1HD PRO -2 9.245 -6.366 -4.844
10 HD3 PRO -2 2HD PRO -2 9.344 -6.450 -6.614
11 H GLY -1 H GLY -1 11.640 -1.513 -5.904
12 HA2 GLY -1 1HA GLY -1 11.581 -1.291 -3.017
13 HA3 GLY -1 2HA GLY -1 13.178 -1.115 -3.728
14 H SER 0 H SER 0 11.927 0.908 -2.256
15 HA SER 0 HA SER 0 11.665 2.959 -4.340
16 HB2 SER 0 1HB SER 0 9.399 2.298 -3.444
17 HB3 SER 0 2HB SER 0 9.919 2.900 -1.870
18 HG SER 0 HG SER 0 9.901 4.448 -4.249
19 H MET 1 H MET 1 13.345 4.263 -4.058
20 HA MET 1 HA MET 1 13.725 5.738 -1.677
21 HB2 MET 1 1HB MET 1 15.993 4.895 -1.102
22 HB3 MET 1 2HB MET 1 14.717 3.724 -0.801
23 HG2 MET 1 1HG MET 1 15.273 2.652 -2.972
24 HG3 MET 1 2HG MET 1 16.640 3.756 -3.112
25 HE1 MET 1 3HE MET 1 14.842 1.114 -1.421
26 HE2 MET 1 1HE MET 1 16.108 -0.077 -1.120
27 HE3 MET 1 2HE MET 1 15.613 1.026 0.164
28 H LYS 2 H LYS 2 15.304 7.388 -1.899
29 HA LYS 2 HA LYS 2 15.958 7.950 -4.688
30 HB2 LYS 2 1HB LYS 2 15.650 9.585 -2.214
31 HB3 LYS 2 2HB LYS 2 16.710 10.194 -3.479
32 HG2 LYS 2 1HG LYS 2 14.476 11.111 -3.701
33 HG3 LYS 2 2HG LYS 2 14.872 10.083 -5.081
34 HD2 LYS 2 1HD LYS 2 12.598 9.660 -4.337
35 HD3 LYS 2 2HD LYS 2 13.609 8.242 -4.051
36 HE2 LYS 2 1HE LYS 2 13.689 8.626 -1.743
37 HE3 LYS 2 2HE LYS 2 13.153 10.296 -1.912
38 HZ1 LYS 2 3HZ LYS 2 11.256 9.262 -1.186
39 HZ2 LYS 2 1HZ LYS 2 11.572 7.821 -2.015
40 HZ3 LYS 2 2HZ LYS 2 11.028 9.181 -2.860
41 H GLU 3 H GLU 3 18.105 9.355 -4.830
42 HA GLU 3 HA GLU 3 20.233 8.142 -3.235
43 HB2 GLU 3 1HB GLU 3 21.507 7.426 -5.104
44 HB3 GLU 3 2HB GLU 3 19.883 6.799 -5.348
45 HG2 GLU 3 1HG GLU 3 19.470 8.833 -6.800
46 HG3 GLU 3 2HG GLU 3 21.210 9.104 -6.735
47 H ILE 4 H ILE 4 22.104 9.381 -3.075
48 HA ILE 4 HA ILE 4 21.797 12.157 -3.986
49 HB ILE 4 HB ILE 4 22.039 11.675 -1.517
50 HG12 ILE 4 1HG1 ILE 4 22.710 13.833 -2.863
51 HG13 ILE 4 2HG1 ILE 4 23.130 13.683 -1.160
52 HG21 ILE 4 1HG2 ILE 4 24.323 11.246 -0.695
53 HG22 ILE 4 2HG2 ILE 4 23.679 9.901 -1.635
54 HG23 ILE 4 3HG2 ILE 4 24.854 10.999 -2.358
55 HD11 ILE 4 3HD1 ILE 4 25.087 12.740 -3.182
56 HD12 ILE 4 1HD1 ILE 4 24.882 14.475 -2.946
57 HD13 ILE 4 2HD1 ILE 4 25.354 13.450 -1.590
58 H ILE 5 H ILE 5 23.301 13.135 -5.238
59 HA ILE 5 HA ILE 5 25.745 11.632 -5.886
60 HB ILE 5 HB ILE 5 24.327 13.206 -8.005
61 HG12 ILE 5 1HG1 ILE 5 23.830 10.302 -7.313
62 HG13 ILE 5 2HG1 ILE 5 22.666 11.614 -7.169
63 HG21 ILE 5 1HG2 ILE 5 26.737 11.791 -7.846
64 HG22 ILE 5 2HG2 ILE 5 25.664 10.803 -8.836
65 HG23 ILE 5 3HG2 ILE 5 25.987 12.477 -9.287
66 HD11 ILE 5 3HD1 ILE 5 22.824 11.935 -9.625
67 HD12 ILE 5 1HD1 ILE 5 23.844 10.499 -9.699
68 HD13 ILE 5 2HD1 ILE 5 22.176 10.369 -9.141
69 H LEU 6 H LEU 6 27.516 12.801 -5.582
70 HA LEU 6 HA LEU 6 27.268 15.723 -5.435
71 HB2 LEU 6 1HB LEU 6 29.420 15.631 -4.225
72 HB3 LEU 6 2HB LEU 6 28.124 14.745 -3.426
73 HG LEU 6 HG LEU 6 29.321 12.771 -4.875
74 HD11 LEU 6 1HD1 LEU 6 31.805 13.308 -3.992
75 HD12 LEU 6 2HD1 LEU 6 31.280 14.928 -4.448
76 HD13 LEU 6 3HD1 LEU 6 31.259 13.627 -5.638
77 HD21 LEU 6 3HD2 LEU 6 28.708 12.455 -2.618
78 HD22 LEU 6 1HD2 LEU 6 29.790 13.733 -2.065
79 HD23 LEU 6 2HD2 LEU 6 30.456 12.219 -2.680
80 H TYR 7 H TYR 7 28.045 16.915 -7.036
81 HA TYR 7 HA TYR 7 29.872 15.674 -8.964
82 HB2 TYR 7 1HB TYR 7 28.107 18.119 -9.156
83 HB3 TYR 7 2HB TYR 7 29.239 17.630 -10.412
84 HD1 TYR 7 HD1 TYR 7 26.096 16.799 -8.706
85 HD2 TYR 7 HD2 TYR 7 28.779 15.733 -11.832
86 HE1 TYR 7 HE1 TYR 7 24.379 15.324 -9.669
87 HE2 TYR 7 HE2 TYR 7 27.069 14.257 -12.804
88 HH TYR 7 HH TYR 7 23.930 13.789 -11.221
89 H THR 8 H THR 8 31.957 16.072 -8.696
90 HA THR 8 HA THR 8 33.078 18.632 -8.649
91 HB THR 8 HB THR 8 34.069 17.969 -6.148
92 HG1 THR 8 HG1 THR 8 32.486 16.607 -5.528
93 HG21 THR 8 3HG2 THR 8 33.079 20.163 -7.350
94 HG22 THR 8 1HG2 THR 8 33.410 20.075 -5.621
95 HG23 THR 8 2HG2 THR 8 31.769 19.825 -6.219
96 H ARG 9 H ARG 9 35.486 18.426 -7.677
97 HA ARG 9 HA ARG 9 36.646 16.213 -9.150
98 HB2 ARG 9 1HB ARG 9 38.820 17.405 -8.439
99 HB3 ARG 9 2HB ARG 9 37.765 18.215 -9.589
100 HG2 ARG 9 1HG ARG 9 37.207 18.855 -6.788
101 HG3 ARG 9 2HG ARG 9 38.804 19.352 -7.352
102 HD2 ARG 9 1HD ARG 9 36.369 19.939 -8.989
103 HD3 ARG 9 2HD ARG 9 36.787 20.967 -7.618
104 HE ARG 9 HE ARG 9 38.075 20.895 -10.164
105 HH11 ARG 9 1HH1 ARG 9 38.589 21.478 -6.771
106 HH12 ARG 9 2HH1 ARG 9 39.946 22.525 -7.023
107 HH21 ARG 9 1HH2 ARG 9 39.860 22.272 -10.510
108 HH22 ARG 9 2HH2 ARG 9 40.668 22.977 -9.150
109 HA PRO 10 HA PRO 10 37.739 13.629 -5.778
110 HB2 PRO 10 1HB PRO 10 40.247 12.820 -6.432
111 HB3 PRO 10 2HB PRO 10 38.804 12.261 -7.286
112 HG2 PRO 10 1HG PRO 10 40.750 14.402 -8.054
113 HG3 PRO 10 2HG PRO 10 40.011 13.147 -9.066
114 HD2 PRO 10 1HD PRO 10 39.119 15.703 -9.033
115 HD3 PRO 10 2HD PRO 10 38.040 14.319 -9.300
116 H ASN 11 H ASN 11 39.374 16.536 -6.308
117 HA ASN 11 HA ASN 11 41.056 16.245 -3.928
118 HB2 ASN 11 1HB ASN 11 41.830 17.252 -6.214
119 HB3 ASN 11 2HB ASN 11 41.003 18.701 -5.650
120 HD21 ASN 11 2HD2 ASN 11 43.632 16.490 -5.071
121 HD22 ASN 11 1HD2 ASN 11 44.524 17.519 -4.007
122 H CYS 12 H CYS 12 38.422 16.253 -3.288
123 HA CYS 12 HA CYS 12 37.858 18.989 -2.367
124 HB2 CYS 12 1HB CYS 12 36.180 17.507 -3.763
125 HB3 CYS 12 2HB CYS 12 35.841 16.788 -2.192
126 HA PRO 13 HA PRO 13 39.281 16.979 1.483
127 HB2 PRO 13 1HB PRO 13 40.131 19.295 2.616
128 HB3 PRO 13 2HB PRO 13 41.115 18.363 1.482
129 HG2 PRO 13 1HG PRO 13 39.443 20.796 0.984
130 HG3 PRO 13 2HG PRO 13 41.069 20.415 0.388
131 HD2 PRO 13 1HD PRO 13 38.850 20.105 -1.133
132 HD3 PRO 13 2HD PRO 13 40.271 19.052 -1.291
133 H TYR 14 H TYR 14 37.681 20.170 1.369
134 HA TYR 14 HA TYR 14 36.456 19.954 3.895
135 HB2 TYR 14 1HB TYR 14 34.995 21.811 3.088
136 HB3 TYR 14 2HB TYR 14 36.713 22.116 2.859
137 HD1 TYR 14 HD1 TYR 14 33.542 21.355 1.168
138 HD2 TYR 14 HD2 TYR 14 37.665 22.267 0.649
139 HE1 TYR 14 HE1 TYR 14 33.138 21.794 -1.218
140 HE2 TYR 14 HE2 TYR 14 37.273 22.710 -1.738
141 HH TYR 14 HH TYR 14 35.486 21.921 -3.486
142 H CYS 15 H CYS 15 35.585 18.747 0.761
143 HA CYS 15 HA CYS 15 32.850 18.395 1.001
144 HB2 CYS 15 1HB CYS 15 35.013 16.959 -0.471
145 HB3 CYS 15 2HB CYS 15 33.421 16.212 -0.398
146 H LYS 16 H LYS 16 35.405 16.815 2.679
147 HA LYS 16 HA LYS 16 34.414 14.357 3.351
148 HB2 LYS 16 1HB LYS 16 35.769 14.429 5.302
149 HB3 LYS 16 2HB LYS 16 36.599 15.393 4.088
150 HG2 LYS 16 1HG LYS 16 35.529 17.420 5.149
151 HG3 LYS 16 2HG LYS 16 35.045 16.355 6.471
152 HD2 LYS 16 1HD LYS 16 37.705 15.759 6.170
153 HD3 LYS 16 2HD LYS 16 37.662 17.491 5.833
154 HE2 LYS 16 1HE LYS 16 36.660 17.954 7.944
155 HE3 LYS 16 2HE LYS 16 36.375 16.242 8.253
156 HZ1 LYS 16 3HZ LYS 16 38.678 17.795 8.812
157 HZ2 LYS 16 1HZ LYS 16 39.087 16.495 7.811
158 HZ3 LYS 16 2HZ LYS 16 38.317 16.213 9.290
159 H ARG 17 H ARG 17 33.369 17.488 4.535
160 HA ARG 17 HA ARG 17 31.825 16.636 6.714
161 HB2 ARG 17 1HB ARG 17 31.645 19.040 4.908
162 HB3 ARG 17 2HB ARG 17 30.528 18.797 6.245
163 HG2 ARG 17 1HG ARG 17 32.230 18.992 7.847
164 HG3 ARG 17 2HG ARG 17 33.501 18.793 6.639
165 HD2 ARG 17 1HD ARG 17 32.931 20.939 5.655
166 HD3 ARG 17 2HD ARG 17 31.599 21.129 6.795
167 HE ARG 17 HE ARG 17 34.144 20.767 8.070
168 HH11 ARG 17 1HH1 ARG 17 31.985 23.083 6.623
169 HH12 ARG 17 2HH1 ARG 17 32.632 24.430 7.500
170 HH21 ARG 17 1HH2 ARG 17 35.005 22.532 9.231
171 HH22 ARG 17 2HH2 ARG 17 34.350 24.115 8.982
172 H ALA 18 H ALA 18 30.905 17.214 3.328
173 HA ALA 18 HA ALA 18 28.189 16.515 3.629
174 HB1 ALA 18 1HB ALA 18 29.828 16.284 1.112
175 HB2 ALA 18 2HB ALA 18 28.081 16.489 1.243
176 HB3 ALA 18 3HB ALA 18 29.160 17.799 1.721
177 H ARG 19 H ARG 19 30.917 14.637 2.302
178 HA ARG 19 HA ARG 19 29.516 12.254 1.895
179 HB2 ARG 19 1HB ARG 19 31.567 11.272 1.457
180 HB3 ARG 19 2HB ARG 19 31.915 12.971 1.167
181 HG2 ARG 19 1HG ARG 19 32.861 13.139 3.434
182 HG3 ARG 19 2HG ARG 19 32.571 11.412 3.657
183 HD2 ARG 19 1HD ARG 19 33.985 11.041 1.596
184 HD3 ARG 19 2HD ARG 19 34.431 12.743 1.702
185 HE ARG 19 HE ARG 19 34.982 11.758 4.179
186 HH11 ARG 19 1HH1 ARG 19 35.902 10.876 0.939
187 HH12 ARG 19 2HH1 ARG 19 37.444 10.241 1.410
188 HH21 ARG 19 1HH2 ARG 19 37.009 10.925 4.812
189 HH22 ARG 19 2HH2 ARG 19 38.072 10.269 3.614
190 H ASP 20 H ASP 20 30.960 13.610 4.770
191 HA ASP 20 HA ASP 20 30.936 11.241 6.335
192 HB2 ASP 20 1HB ASP 20 32.346 13.073 7.006
193 HB3 ASP 20 2HB ASP 20 30.965 14.161 7.111
194 H LEU 21 H LEU 21 28.695 13.991 6.099
195 HA LEU 21 HA LEU 21 26.845 13.117 8.004
196 HB2 LEU 21 1HB LEU 21 26.910 15.380 7.021
197 HB3 LEU 21 2HB LEU 21 26.308 14.716 5.504
198 HG LEU 21 HG LEU 21 24.546 14.032 7.681
199 HD11 LEU 21 1HD1 LEU 21 25.540 16.138 8.613
200 HD12 LEU 21 2HD1 LEU 21 23.797 16.184 8.348
201 HD13 LEU 21 3HD1 LEU 21 24.883 16.986 7.213
202 HD21 LEU 21 3HD2 LEU 21 24.220 14.193 5.114
203 HD22 LEU 21 1HD2 LEU 21 23.925 15.902 5.431
204 HD23 LEU 21 2HD2 LEU 21 22.903 14.678 6.184
205 H LEU 22 H LEU 22 26.978 12.547 4.504
206 HA LEU 22 HA LEU 22 24.580 11.095 4.304
207 HB2 LEU 22 1HB LEU 22 27.047 11.330 2.649
208 HB3 LEU 22 2HB LEU 22 25.884 10.061 2.271
209 HG LEU 22 HG LEU 22 24.343 11.526 1.458
210 HD11 LEU 22 1HD1 LEU 22 23.930 12.770 3.446
211 HD12 LEU 22 2HD1 LEU 22 24.230 13.926 2.149
212 HD13 LEU 22 3HD1 LEU 22 25.491 13.582 3.333
213 HD21 LEU 22 3HD2 LEU 22 27.028 12.812 1.103
214 HD22 LEU 22 1HD2 LEU 22 25.577 13.501 0.376
215 HD23 LEU 22 2HD2 LEU 22 26.086 11.868 -0.052
216 H ASP 23 H ASP 23 27.932 9.872 4.385
217 HA ASP 23 HA ASP 23 27.307 7.165 4.563
218 HB2 ASP 23 1HB ASP 23 29.584 8.222 4.147
219 HB3 ASP 23 2HB ASP 23 29.699 8.440 5.891
220 H LYS 24 H LYS 24 27.622 9.602 7.090
221 HA LYS 24 HA LYS 24 27.466 7.832 9.290
222 HB2 LYS 24 1HB LYS 24 28.310 10.098 9.549
223 HB3 LYS 24 2HB LYS 24 26.754 10.762 9.071
224 HG2 LYS 24 1HG LYS 24 26.901 10.945 11.425
225 HG3 LYS 24 2HG LYS 24 25.761 9.642 11.080
226 HD2 LYS 24 1HD LYS 24 27.237 7.995 11.767
227 HD3 LYS 24 2HD LYS 24 28.654 9.019 11.518
228 HE2 LYS 24 1HE LYS 24 28.240 8.704 13.890
229 HE3 LYS 24 2HE LYS 24 27.986 10.389 13.441
230 HZ1 LYS 24 3HZ LYS 24 26.258 8.962 14.880
231 HZ2 LYS 24 1HZ LYS 24 25.634 8.697 13.330
232 HZ3 LYS 24 2HZ LYS 24 25.807 10.275 13.913
233 H LYS 25 H LYS 25 25.041 9.482 7.355
234 HA LYS 25 HA LYS 25 22.836 8.852 9.045
235 HB2 LYS 25 1HB LYS 25 23.278 10.282 6.598
236 HB3 LYS 25 2HB LYS 25 21.927 9.177 6.383
237 HG2 LYS 25 1HG LYS 25 20.859 11.052 7.147
238 HG3 LYS 25 2HG LYS 25 21.119 10.171 8.654
239 HD2 LYS 25 1HD LYS 25 23.241 11.503 8.933
240 HD3 LYS 25 2HD LYS 25 22.705 12.494 7.573
241 HE2 LYS 25 1HE LYS 25 21.157 13.563 8.806
242 HE3 LYS 25 2HE LYS 25 20.694 12.100 9.674
243 HZ1 LYS 25 3HZ LYS 25 22.746 14.079 10.329
244 HZ2 LYS 25 1HZ LYS 25 23.043 12.470 10.757
245 HZ3 LYS 25 2HZ LYS 25 21.670 13.262 11.347
246 H GLY 26 H GLY 26 24.455 7.228 6.402
247 HA2 GLY 26 1HA GLY 26 24.377 4.829 6.262
248 HA3 GLY 26 2HA GLY 26 22.738 4.887 6.893
249 H VAL 27 H VAL 27 24.236 6.723 4.248
250 HA VAL 27 HA VAL 27 22.310 5.467 2.404
251 HB VAL 27 HB VAL 27 22.481 7.759 1.173
252 HG11 VAL 27 1HG1 VAL 27 20.864 7.318 3.677
253 HG12 VAL 27 2HG1 VAL 27 20.558 8.611 2.516
254 HG13 VAL 27 3HG1 VAL 27 20.404 6.925 2.021
255 HG21 VAL 27 3HG2 VAL 27 24.226 8.676 2.643
256 HG22 VAL 27 1HG2 VAL 27 22.769 9.669 2.646
257 HG23 VAL 27 2HG2 VAL 27 23.107 8.597 4.004
258 H LYS 28 H LYS 28 22.963 5.833 0.063
259 HA LYS 28 HA LYS 28 25.864 5.394 -0.176
260 HB2 LYS 28 1HB LYS 28 23.540 4.067 -1.323
261 HB3 LYS 28 2HB LYS 28 24.696 4.557 -2.555
262 HG2 LYS 28 1HG LYS 28 25.556 3.048 -0.113
263 HG3 LYS 28 2HG LYS 28 24.936 2.225 -1.546
264 HD2 LYS 28 1HD LYS 28 26.833 2.561 -2.691
265 HD3 LYS 28 2HD LYS 28 26.969 4.234 -2.145
266 HE2 LYS 28 1HE LYS 28 28.409 3.696 -0.520
267 HE3 LYS 28 2HE LYS 28 27.460 2.295 -0.026
268 HZ1 LYS 28 3HZ LYS 28 29.855 2.309 -1.428
269 HZ2 LYS 28 1HZ LYS 28 28.673 1.784 -2.518
270 HZ3 LYS 28 2HZ LYS 28 28.890 0.973 -1.050
271 H TYR 29 H TYR 29 26.783 7.288 -0.697
272 HA TYR 29 HA TYR 29 25.466 9.052 -2.620
273 HB2 TYR 29 1HB TYR 29 26.991 10.752 -1.910
274 HB3 TYR 29 2HB TYR 29 26.411 9.940 -0.460
275 HD1 TYR 29 HD2 TYR 29 29.294 10.369 -2.711
276 HD2 TYR 29 HD1 TYR 29 27.903 8.702 0.948
277 HE1 TYR 29 HE2 TYR 29 31.618 9.944 -2.028
278 HE2 TYR 29 HE1 TYR 29 30.223 8.273 1.642
279 HH TYR 29 HH TYR 29 32.365 8.345 1.053
280 H THR 30 H THR 30 26.333 9.612 -4.581
281 HA THR 30 HA THR 30 28.552 7.919 -5.514
282 HB THR 30 HB THR 30 26.322 9.253 -7.057
283 HG1 THR 30 HG1 THR 30 25.424 7.362 -6.813
284 HG21 THR 30 3HG2 THR 30 28.178 9.412 -8.496
285 HG22 THR 30 1HG2 THR 30 27.348 7.939 -8.995
286 HG23 THR 30 2HG2 THR 30 28.802 7.838 -8.002
287 H ASP 31 H ASP 31 30.437 8.843 -5.957
288 HA ASP 31 HA ASP 31 30.623 11.750 -6.002
289 HB2 ASP 31 1HB ASP 31 32.231 10.728 -4.582
290 HB3 ASP 31 2HB ASP 31 32.676 9.549 -5.813
291 H ILE 32 H ILE 32 30.378 12.734 -7.892
292 HA ILE 32 HA ILE 32 31.122 11.356 -10.359
293 HB ILE 32 HB ILE 32 29.701 13.999 -10.017
294 HG12 ILE 32 1HG1 ILE 32 28.352 12.200 -9.096
295 HG13 ILE 32 2HG1 ILE 32 27.665 12.717 -10.632
296 HG21 ILE 32 1HG2 ILE 32 30.445 14.142 -12.162
297 HG22 ILE 32 2HG2 ILE 32 30.550 12.394 -12.361
298 HG23 ILE 32 3HG2 ILE 32 28.983 13.198 -12.444
299 HD11 ILE 32 3HD1 ILE 32 28.929 10.784 -11.674
300 HD12 ILE 32 1HD1 ILE 32 29.201 10.216 -10.027
301 HD13 ILE 32 2HD1 ILE 32 27.556 10.380 -10.643
302 H ASP 33 H ASP 33 33.070 11.665 -11.186
303 HA ASP 33 HA ASP 33 34.913 13.570 -10.269
304 HB2 ASP 33 1HB ASP 33 34.814 11.834 -12.728
305 HB3 ASP 33 2HB ASP 33 36.144 12.955 -12.447
306 H ALA 34 H ALA 34 35.631 15.513 -11.090
307 HA ALA 34 HA ALA 34 33.804 17.273 -12.180
308 HB1 ALA 34 1HB ALA 34 35.503 18.838 -12.249
309 HB2 ALA 34 2HB ALA 34 36.101 17.694 -11.048
310 HB3 ALA 34 3HB ALA 34 36.724 17.647 -12.697
311 H SER 35 H SER 35 35.786 14.936 -13.776
312 HA SER 35 HA SER 35 36.101 15.922 -16.313
313 HB2 SER 35 1HB SER 35 35.223 13.083 -15.776
314 HB3 SER 35 2HB SER 35 36.256 13.668 -17.080
315 HG SER 35 HG SER 35 37.063 12.718 -14.821
316 H THR 36 H THR 36 34.709 16.820 -17.664
317 HA THR 36 HA THR 36 31.913 16.693 -17.395
318 HB THR 36 HB THR 36 31.902 17.673 -19.746
319 HG1 THR 36 HG1 THR 36 34.104 18.440 -20.325
320 HG21 THR 36 3HG2 THR 36 33.315 19.742 -18.859
321 HG22 THR 36 1HG2 THR 36 33.208 18.844 -17.346
322 HG23 THR 36 2HG2 THR 36 31.737 19.335 -18.186
323 H SER 37 H SER 37 34.163 14.628 -18.999
324 HA SER 37 HA SER 37 32.682 13.493 -21.024
325 HB2 SER 37 1HB SER 37 33.986 11.319 -20.263
326 HB3 SER 37 2HB SER 37 34.846 12.688 -20.967
327 HG SER 37 HG SER 37 35.681 11.760 -18.920
328 H LEU 38 H LEU 38 32.401 13.021 -17.573
329 HA LEU 38 HA LEU 38 30.095 11.252 -18.056
330 HB2 LEU 38 1HB LEU 38 32.277 11.083 -16.021
331 HB3 LEU 38 2HB LEU 38 30.681 10.431 -15.656
332 HG LEU 38 HG LEU 38 32.178 8.676 -16.411
333 HD11 LEU 38 1HD1 LEU 38 30.166 9.287 -18.567
334 HD12 LEU 38 2HD1 LEU 38 29.756 8.617 -16.989
335 HD13 LEU 38 3HD1 LEU 38 30.785 7.705 -18.094
336 HD21 LEU 38 3HD2 LEU 38 33.404 10.462 -17.941
337 HD22 LEU 38 1HD2 LEU 38 32.320 9.789 -19.159
338 HD23 LEU 38 2HD2 LEU 38 33.445 8.735 -18.302
339 H ARG 39 H ARG 39 31.420 13.977 -16.378
340 HA ARG 39 HA ARG 39 29.282 14.276 -14.501
341 HB2 ARG 39 1HB ARG 39 31.331 15.263 -13.868
342 HB3 ARG 39 2HB ARG 39 31.518 16.067 -15.420
343 HG2 ARG 39 1HG ARG 39 29.799 17.632 -14.904
344 HG3 ARG 39 2HG ARG 39 29.346 16.737 -13.453
345 HD2 ARG 39 1HD ARG 39 30.644 18.305 -12.460
346 HD3 ARG 39 2HD ARG 39 31.922 17.171 -12.895
347 HE ARG 39 HE ARG 39 31.556 18.935 -15.030
348 HH11 ARG 39 1HH1 ARG 39 32.666 18.971 -11.730
349 HH12 ARG 39 2HH1 ARG 39 33.751 20.300 -11.972
350 HH21 ARG 39 1HH2 ARG 39 32.981 20.686 -15.361
351 HH22 ARG 39 2HH2 ARG 39 33.929 21.275 -14.038
352 H GLN 40 H GLN 40 30.087 15.728 -17.629
353 HA GLN 40 HA GLN 40 27.986 17.592 -17.708
354 HB2 GLN 40 1HB GLN 40 29.982 17.577 -19.216
355 HB3 GLN 40 2HB GLN 40 29.275 16.209 -20.065
356 HG2 GLN 40 1HG GLN 40 27.220 17.898 -20.224
357 HG3 GLN 40 2HG GLN 40 28.535 19.068 -20.119
358 HE21 GLN 40 2HE2 GLN 40 27.136 16.483 -21.986
359 HE22 GLN 40 1HE2 GLN 40 27.999 16.804 -23.448
360 H GLU 41 H GLU 41 28.211 14.287 -18.994
361 HA GLU 41 HA GLU 41 25.604 14.235 -20.088
362 HB2 GLU 41 1HB GLU 41 25.922 11.754 -20.098
363 HB3 GLU 41 2HB GLU 41 27.223 12.651 -20.869
364 HG2 GLU 41 1HG GLU 41 28.525 11.298 -19.647
365 HG3 GLU 41 2HG GLU 41 28.201 12.472 -18.373
366 H MET 42 H MET 42 26.918 13.008 -17.020
367 HA MET 42 HA MET 42 24.522 11.941 -16.026
368 HB2 MET 42 1HB MET 42 26.842 11.540 -15.126
369 HB3 MET 42 2HB MET 42 26.753 13.126 -14.372
370 HG2 MET 42 1HG MET 42 25.945 12.048 -12.605
371 HG3 MET 42 2HG MET 42 24.440 11.960 -13.518
372 HE1 MET 42 3HE MET 42 27.673 9.039 -14.244
373 HE2 MET 42 1HE MET 42 27.844 10.583 -13.407
374 HE3 MET 42 2HE MET 42 27.594 9.102 -12.482
375 H VAL 43 H VAL 43 26.031 15.114 -15.454
376 HA VAL 43 HA VAL 43 24.091 16.161 -13.749
377 HB VAL 43 HB VAL 43 26.056 17.420 -15.625
378 HG11 VAL 43 1HG1 VAL 43 25.346 19.638 -14.635
379 HG12 VAL 43 2HG1 VAL 43 24.258 18.940 -15.836
380 HG13 VAL 43 3HG1 VAL 43 23.867 18.830 -14.119
381 HG21 VAL 43 3HG2 VAL 43 25.747 17.018 -12.699
382 HG22 VAL 43 1HG2 VAL 43 27.179 16.873 -13.718
383 HG23 VAL 43 2HG2 VAL 43 26.591 18.467 -13.246
384 H GLN 44 H GLN 44 24.348 16.442 -17.288
385 HA GLN 44 HA GLN 44 22.116 18.013 -17.754
386 HB2 GLN 44 1HB GLN 44 23.474 15.892 -19.392
387 HB3 GLN 44 2HB GLN 44 22.045 16.721 -19.994
388 HG2 GLN 44 1HG GLN 44 23.127 18.761 -20.139
389 HG3 GLN 44 2HG GLN 44 24.391 18.283 -19.008
390 HE21 GLN 44 2HE2 GLN 44 24.522 19.389 -21.743
391 HE22 GLN 44 1HE2 GLN 44 25.486 18.274 -22.643
392 H ARG 45 H ARG 45 22.326 14.473 -17.555
393 HA ARG 45 HA ARG 45 19.492 14.137 -17.913
394 HB2 ARG 45 1HB ARG 45 21.721 12.242 -17.180
395 HB3 ARG 45 2HB ARG 45 20.039 11.736 -17.267
396 HG2 ARG 45 1HG ARG 45 20.139 12.765 -19.657
397 HG3 ARG 45 2HG ARG 45 21.881 12.567 -19.457
398 HD2 ARG 45 1HD ARG 45 20.961 10.623 -20.557
399 HD3 ARG 45 2HD ARG 45 21.524 10.184 -18.945
400 HE ARG 45 HE ARG 45 18.837 10.804 -18.706
401 HH11 ARG 45 1HH1 ARG 45 20.799 8.469 -20.385
402 HH12 ARG 45 2HH1 ARG 45 19.575 7.242 -20.378
403 HH21 ARG 45 1HH2 ARG 45 17.218 9.197 -18.690
404 HH22 ARG 45 2HH2 ARG 45 17.539 7.658 -19.414
405 H ALA 46 H ALA 46 21.435 15.029 -15.332
406 HA ALA 46 HA ALA 46 19.913 13.755 -13.240
407 HB1 ALA 46 1HB ALA 46 21.310 15.030 -11.714
408 HB2 ALA 46 2HB ALA 46 22.297 14.244 -12.947
409 HB3 ALA 46 3HB ALA 46 21.951 15.970 -13.062
410 H ASN 47 H ASN 47 20.153 16.994 -14.649
411 HA ASN 47 HA ASN 47 17.711 17.731 -13.173
412 HB2 ASN 47 1HB ASN 47 18.451 20.045 -13.222
413 HB3 ASN 47 2HB ASN 47 19.707 19.042 -12.502
414 HD21 ASN 47 2HD2 ASN 47 21.657 18.844 -13.500
415 HD22 ASN 47 1HD2 ASN 47 22.107 19.748 -14.902
416 H GLY 48 H GLY 48 19.494 18.120 -16.215
417 HA2 GLY 48 1HA GLY 48 17.666 17.617 -18.063
418 HA3 GLY 48 2HA GLY 48 17.110 19.192 -17.517
419 H ARG 49 H ARG 49 20.134 19.723 -17.010
420 HA ARG 49 HA ARG 49 21.217 19.883 -19.670
421 HB2 ARG 49 1HB ARG 49 19.590 21.797 -19.558
422 HB3 ARG 49 2HB ARG 49 20.565 22.472 -18.260
423 HG2 ARG 49 1HG ARG 49 22.435 22.758 -19.720
424 HG3 ARG 49 2HG ARG 49 21.617 21.880 -21.015
425 HD2 ARG 49 1HD ARG 49 19.970 23.617 -21.226
426 HD3 ARG 49 2HD ARG 49 20.610 24.453 -19.811
427 HE ARG 49 HE ARG 49 22.716 24.299 -21.553
428 HH11 ARG 49 1HH1 ARG 49 19.483 25.585 -21.670
429 HH12 ARG 49 2HH1 ARG 49 19.884 26.843 -22.791
430 HH21 ARG 49 1HH2 ARG 49 23.257 25.951 -23.029
431 HH22 ARG 49 2HH2 ARG 49 22.031 27.050 -23.564
432 H ASN 50 H ASN 50 23.379 20.877 -19.688
433 HA ASN 50 HA ASN 50 24.847 20.106 -17.340
434 HB2 ASN 50 1HB ASN 50 26.828 20.563 -18.644
435 HB3 ASN 50 2HB ASN 50 25.673 19.708 -19.662
436 HD21 ASN 50 2HD2 ASN 50 27.039 22.851 -18.918
437 HD22 ASN 50 1HD2 ASN 50 26.694 23.572 -20.450
438 H THR 51 H THR 51 26.379 21.490 -16.239
439 HA THR 51 HA THR 51 26.434 24.289 -16.510
440 HB THR 51 HB THR 51 24.065 23.981 -15.664
441 HG1 THR 51 HG1 THR 51 24.390 25.681 -14.045
442 HG21 THR 51 3HG2 THR 51 25.143 23.643 -12.923
443 HG22 THR 51 1HG2 THR 51 25.066 22.203 -13.937
444 HG23 THR 51 2HG2 THR 51 23.601 23.127 -13.605
445 H PHE 52 H PHE 52 26.977 25.189 -14.031
446 HA PHE 52 HA PHE 52 29.548 24.214 -13.517
447 HB2 PHE 52 1HB PHE 52 29.310 25.547 -11.349
448 HB3 PHE 52 2HB PHE 52 29.097 26.436 -12.853
449 HD1 PHE 52 HD1 PHE 52 27.222 24.755 -10.131
450 HD2 PHE 52 HD2 PHE 52 27.153 27.653 -13.247
451 HE1 PHE 52 HE1 PHE 52 25.023 25.535 -9.351
452 HE2 PHE 52 HE2 PHE 52 24.954 28.439 -12.472
453 HZ PHE 52 HZ PHE 52 23.886 27.380 -10.521
454 HA PRO 53 HA PRO 53 29.052 20.772 -10.842
455 HB2 PRO 53 1HB PRO 53 31.121 21.101 -9.116
456 HB3 PRO 53 2HB PRO 53 31.343 20.610 -10.799
457 HG2 PRO 53 1HG PRO 53 31.642 23.319 -9.561
458 HG3 PRO 53 2HG PRO 53 32.679 22.512 -10.752
459 HD2 PRO 53 1HD PRO 53 30.864 24.399 -11.442
460 HD3 PRO 53 2HD PRO 53 31.290 23.047 -12.511
461 H GLN 54 H GLN 54 28.337 20.108 -8.790
462 HA GLN 54 HA GLN 54 28.200 21.751 -6.516
463 HB2 GLN 54 1HB GLN 54 25.793 22.267 -6.493
464 HB3 GLN 54 2HB GLN 54 26.626 23.074 -7.815
465 HG2 GLN 54 1HG GLN 54 24.738 22.320 -8.863
466 HG3 GLN 54 2HG GLN 54 25.864 21.005 -9.195
467 HE21 GLN 54 2HE2 GLN 54 24.819 19.155 -9.120
468 HE22 GLN 54 1HE2 GLN 54 23.660 18.685 -7.929
469 H ILE 55 H ILE 55 26.231 20.878 -5.052
470 HA ILE 55 HA ILE 55 26.618 17.983 -5.007
471 HB ILE 55 HB ILE 55 25.409 19.807 -2.924
472 HG12 ILE 55 1HG1 ILE 55 27.631 18.970 -1.756
473 HG13 ILE 55 2HG1 ILE 55 28.168 18.767 -3.420
474 HG21 ILE 55 1HG2 ILE 55 24.473 17.804 -2.361
475 HG22 ILE 55 2HG2 ILE 55 25.773 16.864 -3.092
476 HG23 ILE 55 3HG2 ILE 55 26.021 17.646 -1.530
477 HD11 ILE 55 3HD1 ILE 55 26.975 21.351 -2.515
478 HD12 ILE 55 1HD1 ILE 55 28.668 20.974 -2.198
479 HD13 ILE 55 2HD1 ILE 55 28.074 21.036 -3.857
480 H PHE 56 H PHE 56 25.159 16.788 -6.027
481 HA PHE 56 HA PHE 56 22.418 17.753 -6.305
482 HB2 PHE 56 1HB PHE 56 24.095 16.457 -8.057
483 HB3 PHE 56 2HB PHE 56 23.063 15.149 -7.489
484 HD1 PHE 56 HD1 PHE 56 20.479 15.788 -7.425
485 HD2 PHE 56 HD2 PHE 56 23.411 17.627 -9.902
486 HE1 PHE 56 HE1 PHE 56 18.711 16.507 -8.978
487 HE2 PHE 56 HE2 PHE 56 21.648 18.350 -11.458
488 HZ PHE 56 HZ PHE 56 19.294 17.791 -10.997
489 H ILE 57 H ILE 57 20.642 16.720 -5.484
490 HA ILE 57 HA ILE 57 21.053 14.281 -3.914
491 HB ILE 57 HB ILE 57 19.625 15.227 -2.088
492 HG12 ILE 57 1HG1 ILE 57 20.223 17.984 -2.471
493 HG13 ILE 57 2HG1 ILE 57 19.438 17.398 -3.934
494 HG21 ILE 57 1HG2 ILE 57 21.742 15.180 -1.312
495 HG22 ILE 57 2HG2 ILE 57 22.390 16.020 -2.719
496 HG23 ILE 57 3HG2 ILE 57 21.604 16.934 -1.432
497 HD11 ILE 57 3HD1 ILE 57 17.454 17.188 -2.928
498 HD12 ILE 57 1HD1 ILE 57 18.158 16.555 -1.440
499 HD13 ILE 57 2HD1 ILE 57 18.141 18.294 -1.739
500 H GLY 58 H GLY 58 19.671 12.835 -4.689
501 HA2 GLY 58 1HA GLY 58 17.752 11.878 -5.508
502 HA3 GLY 58 2HA GLY 58 16.890 13.149 -4.654
503 H ASP 59 H ASP 59 16.079 14.872 -5.771
504 HA ASP 59 HA ASP 59 16.599 14.946 -8.667
505 HB2 ASP 59 1HB ASP 59 13.902 15.280 -7.336
506 HB3 ASP 59 2HB ASP 59 14.224 15.431 -9.061
507 H TYR 60 H TYR 60 17.698 16.533 -6.470
508 HA TYR 60 HA TYR 60 16.974 19.167 -7.511
509 HB2 TYR 60 1HB TYR 60 15.629 19.123 -5.559
510 HB3 TYR 60 2HB TYR 60 16.900 18.365 -4.605
511 HD1 TYR 60 HD2 TYR 60 16.108 21.511 -6.441
512 HD2 TYR 60 HD1 TYR 60 18.290 19.680 -3.281
513 HE1 TYR 60 HE2 TYR 60 16.844 23.728 -5.672
514 HE2 TYR 60 HE1 TYR 60 19.031 21.892 -2.502
515 HH TYR 60 HH TYR 60 18.355 24.806 -4.337
516 H HIS 61 H HIS 61 18.623 20.698 -7.410
517 HA HIS 61 HA HIS 61 21.274 19.585 -6.788
518 HB2 HIS 61 1HB HIS 61 22.101 21.437 -8.305
519 HB3 HIS 61 2HB HIS 61 21.158 20.175 -9.092
520 HD1 HIS 61 HD1 HIS 61 18.668 20.823 -9.745
521 HD2 HIS 61 HD2 HIS 61 21.081 23.978 -8.528
522 HE1 HIS 61 HE1 HIS 61 17.475 22.908 -10.489
523 H VAL 62 H VAL 62 21.846 20.167 -4.786
524 HA VAL 62 HA VAL 62 20.940 22.336 -3.322
525 HB VAL 62 HB VAL 62 23.619 20.955 -3.111
526 HG11 VAL 62 1HG1 VAL 62 23.523 21.772 -0.739
527 HG12 VAL 62 2HG1 VAL 62 23.781 23.028 -1.952
528 HG13 VAL 62 3HG1 VAL 62 22.187 22.816 -1.225
529 HG21 VAL 62 3HG2 VAL 62 21.030 19.992 -2.646
530 HG22 VAL 62 1HG2 VAL 62 22.555 19.245 -2.170
531 HG23 VAL 62 2HG2 VAL 62 21.713 20.321 -1.054
532 H GLY 63 H GLY 63 24.311 22.167 -4.451
533 HA2 GLY 63 1HA GLY 63 24.926 24.014 -6.089
534 HA3 GLY 63 2HA GLY 63 24.186 25.080 -4.904
535 H GLY 64 H GLY 64 25.111 24.382 -2.540
536 HA2 GLY 64 1HA GLY 64 28.052 24.415 -2.836
537 HA3 GLY 64 2HA GLY 64 27.204 25.446 -1.693
538 H CYS 65 H CYS 65 29.290 23.415 -1.247
539 HA CYS 65 HA CYS 65 28.286 21.054 -0.162
540 HB2 CYS 65 1HB CYS 65 30.794 22.435 -0.222
541 HB3 CYS 65 2HB CYS 65 30.504 21.861 1.415
542 HG CYS 65 HG CYS 65 29.779 19.233 0.071
543 H ASP 66 H ASP 66 29.431 23.833 1.759
544 HA ASP 66 HA ASP 66 28.313 23.052 4.172
545 HB2 ASP 66 1HB ASP 66 28.559 25.384 4.877
546 HB3 ASP 66 2HB ASP 66 29.969 24.857 3.962
547 H ASP 67 H ASP 67 26.815 24.504 1.407
548 HA ASP 67 HA ASP 67 24.565 25.690 2.487
549 HB2 ASP 67 1HB ASP 67 25.364 25.484 0.014
550 HB3 ASP 67 2HB ASP 67 24.360 24.036 -0.009
551 H LEU 68 H LEU 68 25.133 22.277 1.748
552 HA LEU 68 HA LEU 68 22.527 21.374 2.355
553 HB2 LEU 68 1HB LEU 68 23.375 19.212 2.183
554 HB3 LEU 68 2HB LEU 68 24.385 20.164 1.097
555 HG LEU 68 HG LEU 68 25.932 20.272 3.259
556 HD11 LEU 68 1HD1 LEU 68 25.746 17.718 4.040
557 HD12 LEU 68 2HD1 LEU 68 24.040 18.059 3.750
558 HD13 LEU 68 3HD1 LEU 68 24.956 19.048 4.887
559 HD21 LEU 68 3HD2 LEU 68 25.743 18.529 0.929
560 HD22 LEU 68 1HD2 LEU 68 26.660 17.823 2.260
561 HD23 LEU 68 2HD2 LEU 68 27.133 19.387 1.596
562 H TYR 69 H TYR 69 25.410 21.856 4.312
563 HA TYR 69 HA TYR 69 24.421 20.574 6.645
564 HB2 TYR 69 1HB TYR 69 26.820 21.894 5.840
565 HB3 TYR 69 2HB TYR 69 26.287 22.601 7.361
566 HD1 TYR 69 HD2 TYR 69 26.823 19.266 5.769
567 HD2 TYR 69 HD1 TYR 69 26.899 21.573 9.343
568 HE1 TYR 69 HE2 TYR 69 27.761 17.343 6.983
569 HE2 TYR 69 HE1 TYR 69 27.837 19.657 10.567
570 HH TYR 69 HH TYR 69 28.724 17.606 10.376
571 H ALA 70 H ALA 70 24.724 24.015 5.769
572 HA ALA 70 HA ALA 70 23.520 25.087 8.042
573 HB1 ALA 70 1HB ALA 70 23.819 27.052 7.016
574 HB2 ALA 70 2HB ALA 70 24.622 26.111 5.758
575 HB3 ALA 70 3HB ALA 70 22.922 26.547 5.583
576 H LEU 71 H LEU 71 22.028 24.329 4.893
577 HA LEU 71 HA LEU 71 19.412 25.037 5.578
578 HB2 LEU 71 1HB LEU 71 20.492 23.058 3.588
579 HB3 LEU 71 2HB LEU 71 18.775 23.428 3.731
580 HG LEU 71 HG LEU 71 20.898 25.468 3.076
581 HD11 LEU 71 1HD1 LEU 71 20.921 24.077 1.214
582 HD12 LEU 71 2HD1 LEU 71 19.743 25.316 0.782
583 HD13 LEU 71 3HD1 LEU 71 19.196 23.731 1.327
584 HD21 LEU 71 3HD2 LEU 71 19.291 26.978 3.315
585 HD22 LEU 71 1HD2 LEU 71 18.217 25.713 3.914
586 HD23 LEU 71 2HD2 LEU 71 18.254 26.096 2.192
587 H GLU 72 H GLU 72 21.054 21.892 5.753
588 HA GLU 72 HA GLU 72 18.913 20.344 6.612
589 HB2 GLU 72 1HB GLU 72 21.018 19.345 5.942
590 HB3 GLU 72 2HB GLU 72 21.846 20.101 7.296
591 HG2 GLU 72 1HG GLU 72 19.563 18.242 7.786
592 HG3 GLU 72 2HG GLU 72 21.168 17.607 7.429
593 H ASN 73 H ASN 73 21.182 22.300 8.499
594 HA ASN 73 HA ASN 73 19.957 21.574 11.006
595 HB2 ASN 73 1HB ASN 73 22.426 22.232 10.585
596 HB3 ASN 73 2HB ASN 73 21.836 23.892 10.620
597 HD21 ASN 73 2HD2 ASN 73 21.435 24.839 12.528
598 HD22 ASN 73 1HD2 ASN 73 21.595 24.061 14.062
599 H LYS 74 H LYS 74 19.370 23.861 8.560
600 HA LYS 74 HA LYS 74 18.117 25.832 10.259
601 HB2 LYS 74 1HB LYS 74 18.896 25.619 7.469
602 HB3 LYS 74 2HB LYS 74 17.280 26.292 7.639
603 HG2 LYS 74 1HG LYS 74 18.178 28.259 8.092
604 HG3 LYS 74 2HG LYS 74 18.893 27.576 9.555
605 HD2 LYS 74 1HD LYS 74 20.931 27.183 8.530
606 HD3 LYS 74 2HD LYS 74 20.229 27.164 6.911
607 HE2 LYS 74 1HE LYS 74 21.240 29.209 6.865
608 HE3 LYS 74 2HE LYS 74 19.667 29.674 7.512
609 HZ1 LYS 74 3HZ LYS 74 21.120 30.700 8.949
610 HZ2 LYS 74 1HZ LYS 74 22.249 29.440 8.906
611 HZ3 LYS 74 2HZ LYS 74 20.810 29.257 9.776
612 H GLY 75 H GLY 75 17.192 22.951 8.613
613 HA2 GLY 75 1HA GLY 75 14.969 22.191 9.687
614 HA3 GLY 75 2HA GLY 75 14.341 23.625 8.889
615 H LYS 76 H LYS 76 16.642 22.663 6.850
616 HA LYS 76 HA LYS 76 14.740 21.412 5.071
617 HB2 LYS 76 1HB LYS 76 17.083 22.961 4.773
618 HB3 LYS 76 2HB LYS 76 17.426 21.397 4.045
619 HG2 LYS 76 1HG LYS 76 16.578 22.761 2.323
620 HG3 LYS 76 2HG LYS 76 15.275 21.653 2.759
621 HD2 LYS 76 1HD LYS 76 14.053 23.317 3.833
622 HD3 LYS 76 2HD LYS 76 15.464 24.358 4.033
623 HE2 LYS 76 1HE LYS 76 14.461 23.678 1.297
624 HE3 LYS 76 2HE LYS 76 13.677 24.944 2.241
625 HZ1 LYS 76 3HZ LYS 76 16.511 24.851 1.370
626 HZ2 LYS 76 1HZ LYS 76 15.910 25.982 2.475
627 HZ3 LYS 76 2HZ LYS 76 15.324 25.957 0.889
628 H LEU 77 H LEU 77 16.441 20.215 7.536
629 HA LEU 77 HA LEU 77 17.907 18.055 6.657
630 HB2 LEU 77 1HB LEU 77 17.966 18.477 8.945
631 HB3 LEU 77 2HB LEU 77 16.209 18.497 9.082
632 HG LEU 77 HG LEU 77 17.252 15.901 8.264
633 HD11 LEU 77 1HD1 LEU 77 19.148 16.352 9.588
634 HD12 LEU 77 2HD1 LEU 77 18.069 15.397 10.604
635 HD13 LEU 77 3HD1 LEU 77 18.185 17.141 10.838
636 HD21 LEU 77 3HD2 LEU 77 15.824 16.170 10.799
637 HD22 LEU 77 1HD2 LEU 77 15.443 15.198 9.377
638 HD23 LEU 77 2HD2 LEU 77 14.988 16.902 9.428
639 H ASP 78 H ASP 78 14.406 18.276 7.135
640 HA ASP 78 HA ASP 78 13.700 15.635 6.698
641 HB2 ASP 78 1HB ASP 78 12.332 18.253 6.322
642 HB3 ASP 78 2HB ASP 78 11.592 16.835 5.584
643 H SER 79 H SER 79 14.210 18.216 4.319
644 HA SER 79 HA SER 79 13.553 16.634 2.058
645 HB2 SER 79 1HB SER 79 13.438 18.983 1.764
646 HB3 SER 79 2HB SER 79 15.068 19.221 2.394
647 HG SER 79 HG SER 79 14.523 17.763 0.028
648 H LEU 80 H LEU 80 16.676 17.636 3.440
649 HA LEU 80 HA LEU 80 18.354 16.362 1.636
650 HB2 LEU 80 1HB LEU 80 18.577 17.261 4.447
651 HB3 LEU 80 2HB LEU 80 19.795 16.121 3.879
652 HG LEU 80 HG LEU 80 20.438 18.542 3.750
653 HD11 LEU 80 1HD1 LEU 80 21.889 17.722 2.291
654 HD12 LEU 80 2HD1 LEU 80 20.725 18.015 1.000
655 HD13 LEU 80 3HD1 LEU 80 20.754 16.456 1.823
656 HD21 LEU 80 3HD2 LEU 80 19.356 20.046 2.446
657 HD22 LEU 80 1HD2 LEU 80 17.982 19.002 2.809
658 HD23 LEU 80 2HD2 LEU 80 18.838 18.830 1.277
659 H LEU 81 H LEU 81 17.121 15.103 4.734
660 HA LEU 81 HA LEU 81 18.276 12.558 4.532
661 HB2 LEU 81 1HB LEU 81 16.358 13.900 6.218
662 HB3 LEU 81 2HB LEU 81 15.870 12.234 5.913
663 HG LEU 81 HG LEU 81 18.424 11.811 6.594
664 HD11 LEU 81 1HD1 LEU 81 19.414 13.423 7.770
665 HD12 LEU 81 2HD1 LEU 81 17.948 13.773 8.685
666 HD13 LEU 81 3HD1 LEU 81 18.195 14.509 7.102
667 HD21 LEU 81 3HD2 LEU 81 16.873 10.583 7.751
668 HD22 LEU 81 1HD2 LEU 81 15.912 11.997 8.186
669 HD23 LEU 81 2HD2 LEU 81 17.431 11.672 9.022
670 H GLN 82 H GLN 82 15.010 13.666 3.658
671 HA GLN 82 HA GLN 82 14.061 11.202 2.717
672 HB2 GLN 82 1HB GLN 82 12.502 12.960 3.170
673 HB3 GLN 82 2HB GLN 82 13.290 14.035 2.023
674 HG2 GLN 82 1HG GLN 82 12.583 12.607 0.182
675 HG3 GLN 82 2HG GLN 82 11.816 11.505 1.324
676 HE21 GLN 82 2HE2 GLN 82 11.829 14.938 0.433
677 HE22 GLN 82 1HE2 GLN 82 10.126 15.168 0.612
678 H ASP 83 H ASP 83 16.199 13.516 1.309
679 HA ASP 83 HA ASP 83 15.874 12.518 -1.390
680 HB2 ASP 83 1HB ASP 83 17.459 14.677 -0.083
681 HB3 ASP 83 2HB ASP 83 18.055 14.034 -1.611
682 H VAL 84 H VAL 84 18.694 12.772 0.785
683 HA VAL 84 HA VAL 84 20.387 11.078 -0.594
684 HB VAL 84 HB VAL 84 21.623 10.774 1.483
685 HG11 VAL 84 1HG1 VAL 84 22.399 12.857 1.345
686 HG12 VAL 84 2HG1 VAL 84 21.055 13.192 0.250
687 HG13 VAL 84 3HG1 VAL 84 20.897 13.535 1.974
688 HG21 VAL 84 3HG2 VAL 84 20.376 12.193 3.441
689 HG22 VAL 84 1HG2 VAL 84 19.011 11.391 2.664
690 HG23 VAL 84 2HG2 VAL 84 20.348 10.435 3.302
691 H HIS 85 H HIS 85 17.783 10.298 1.612
692 HA HIS 85 HA HIS 85 18.481 7.522 1.847
693 HB2 HIS 85 1HB HIS 85 17.249 8.632 3.638
694 HB3 HIS 85 2HB HIS 85 15.924 8.987 2.534
695 HD1 HIS 85 HD1 HIS 85 14.268 7.107 2.034
696 HD2 HIS 85 HD2 HIS 85 17.416 5.936 4.480
697 HE1 HIS 85 HE1 HIS 85 13.623 4.845 2.924
Start of MODEL 11
1 H1 GLY -3 H GLY -3 9.592 -3.345 2.553
2 HA2 GLY -3 1HA GLY -3 7.287 -2.815 2.366
3 HA3 GLY -3 2HA GLY -3 7.863 -1.740 3.631
4 HA PRO -2 HA PRO -2 6.790 1.817 1.314
5 HB2 PRO -2 1HB PRO -2 8.933 3.462 1.584
6 HB3 PRO -2 2HB PRO -2 7.822 3.105 2.912
7 HG2 PRO -2 1HG PRO -2 10.507 1.922 2.320
8 HG3 PRO -2 2HG PRO -2 9.831 2.441 3.875
9 HD2 PRO -2 1HD PRO -2 9.901 -0.156 3.110
10 HD3 PRO -2 2HD PRO -2 8.608 0.504 4.132
11 H GLY -1 H GLY -1 7.319 3.212 -0.539
12 HA2 GLY -1 1HA GLY -1 9.021 1.767 -2.467
13 HA3 GLY -1 2HA GLY -1 7.619 2.736 -2.898
14 H SER 0 H SER 0 9.628 4.068 -0.476
15 HA SER 0 HA SER 0 10.573 6.073 -2.390
16 HB2 SER 0 1HB SER 0 9.299 6.703 -0.266
17 HB3 SER 0 2HB SER 0 10.755 6.245 0.618
18 HG SER 0 HG SER 0 11.699 8.014 -0.029
19 H MET 1 H MET 1 12.420 5.328 -3.293
20 HA MET 1 HA MET 1 14.631 4.701 -1.452
21 HB2 MET 1 1HB MET 1 13.740 3.274 -3.923
22 HB3 MET 1 2HB MET 1 15.453 3.300 -3.526
23 HG2 MET 1 1HG MET 1 15.101 2.161 -1.493
24 HG3 MET 1 2HG MET 1 13.358 2.405 -1.574
25 HE1 MET 1 3HE MET 1 15.851 -0.887 -3.417
26 HE2 MET 1 1HE MET 1 16.189 0.716 -4.072
27 HE3 MET 1 2HE MET 1 16.346 0.420 -2.340
28 H LYS 2 H LYS 2 14.570 7.205 -1.928
29 HA LYS 2 HA LYS 2 15.552 8.151 -4.398
30 HB2 LYS 2 1HB LYS 2 15.727 9.351 -1.629
31 HB3 LYS 2 2HB LYS 2 16.145 10.204 -3.109
32 HG2 LYS 2 1HG LYS 2 13.427 9.083 -2.456
33 HG3 LYS 2 2HG LYS 2 13.905 10.775 -2.301
34 HD2 LYS 2 1HD LYS 2 14.394 10.821 -4.724
35 HD3 LYS 2 2HD LYS 2 13.820 9.156 -4.848
36 HE2 LYS 2 1HE LYS 2 12.098 11.334 -3.707
37 HE3 LYS 2 2HE LYS 2 12.189 11.047 -5.444
38 HZ1 LYS 2 3HZ LYS 2 11.736 8.661 -3.901
39 HZ2 LYS 2 1HZ LYS 2 10.932 9.229 -5.277
40 HZ3 LYS 2 2HZ LYS 2 10.497 9.803 -3.747
41 H GLU 3 H GLU 3 17.713 9.418 -4.457
42 HA GLU 3 HA GLU 3 19.860 7.997 -3.076
43 HB2 GLU 3 1HB GLU 3 21.045 7.426 -5.046
44 HB3 GLU 3 2HB GLU 3 19.392 6.886 -5.304
45 HG2 GLU 3 1HG GLU 3 20.564 9.445 -6.370
46 HG3 GLU 3 2HG GLU 3 20.370 7.952 -7.287
47 H ILE 4 H ILE 4 21.761 9.173 -2.851
48 HA ILE 4 HA ILE 4 21.532 12.018 -3.570
49 HB ILE 4 HB ILE 4 21.626 11.475 -1.131
50 HG12 ILE 4 1HG1 ILE 4 22.642 13.579 -2.408
51 HG13 ILE 4 2HG1 ILE 4 22.798 13.390 -0.665
52 HG21 ILE 4 1HG2 ILE 4 24.409 10.550 -1.828
53 HG22 ILE 4 2HG2 ILE 4 23.815 10.819 -0.190
54 HG23 ILE 4 3HG2 ILE 4 23.094 9.561 -1.193
55 HD11 ILE 4 3HD1 ILE 4 24.911 12.348 -2.502
56 HD12 ILE 4 1HD1 ILE 4 24.863 14.051 -2.048
57 HD13 ILE 4 2HD1 ILE 4 25.033 12.812 -0.805
58 H ILE 5 H ILE 5 23.138 13.025 -4.673
59 HA ILE 5 HA ILE 5 25.569 11.488 -5.282
60 HB ILE 5 HB ILE 5 24.223 13.164 -7.381
61 HG12 ILE 5 1HG1 ILE 5 23.834 10.206 -6.879
62 HG13 ILE 5 2HG1 ILE 5 22.605 11.455 -6.719
63 HG21 ILE 5 1HG2 ILE 5 26.230 10.917 -7.502
64 HG22 ILE 5 2HG2 ILE 5 25.565 11.770 -8.894
65 HG23 ILE 5 3HG2 ILE 5 26.566 12.634 -7.727
66 HD11 ILE 5 3HD1 ILE 5 23.192 11.911 -9.229
67 HD12 ILE 5 1HD1 ILE 5 23.778 10.249 -9.167
68 HD13 ILE 5 2HD1 ILE 5 22.096 10.607 -8.773
69 H LEU 6 H LEU 6 27.415 12.739 -5.806
70 HA LEU 6 HA LEU 6 27.195 15.611 -5.214
71 HB2 LEU 6 1HB LEU 6 29.649 15.069 -4.253
72 HB3 LEU 6 2HB LEU 6 28.190 15.121 -3.265
73 HG LEU 6 HG LEU 6 28.916 12.507 -4.463
74 HD11 LEU 6 1HD1 LEU 6 30.280 13.235 -1.928
75 HD12 LEU 6 2HD1 LEU 6 31.001 13.775 -3.444
76 HD13 LEU 6 3HD1 LEU 6 30.729 12.056 -3.161
77 HD21 LEU 6 3HD2 LEU 6 28.361 12.413 -1.695
78 HD22 LEU 6 1HD2 LEU 6 27.337 11.892 -3.034
79 HD23 LEU 6 2HD2 LEU 6 27.216 13.542 -2.421
80 H TYR 7 H TYR 7 27.795 16.688 -6.966
81 HA TYR 7 HA TYR 7 29.701 15.494 -8.828
82 HB2 TYR 7 1HB TYR 7 27.923 17.929 -9.041
83 HB3 TYR 7 2HB TYR 7 29.049 17.424 -10.296
84 HD1 TYR 7 HD1 TYR 7 28.609 15.448 -11.642
85 HD2 TYR 7 HD2 TYR 7 25.888 16.674 -8.609
86 HE1 TYR 7 HE1 TYR 7 26.897 13.956 -12.584
87 HE2 TYR 7 HE2 TYR 7 24.168 15.184 -9.543
88 HH TYR 7 HH TYR 7 23.627 14.109 -11.679
89 H THR 8 H THR 8 31.782 15.936 -8.624
90 HA THR 8 HA THR 8 32.848 18.527 -8.532
91 HB THR 8 HB THR 8 33.937 17.784 -6.093
92 HG1 THR 8 HG1 THR 8 32.139 17.340 -4.781
93 HG21 THR 8 3HG2 THR 8 33.573 20.006 -6.129
94 HG22 THR 8 1HG2 THR 8 32.027 19.597 -5.387
95 HG23 THR 8 2HG2 THR 8 32.129 19.852 -7.129
96 H ARG 9 H ARG 9 35.289 18.383 -7.751
97 HA ARG 9 HA ARG 9 36.423 16.177 -9.264
98 HB2 ARG 9 1HB ARG 9 38.573 17.438 -8.925
99 HB3 ARG 9 2HB ARG 9 37.322 18.324 -9.787
100 HG2 ARG 9 1HG ARG 9 36.803 19.612 -7.833
101 HG3 ARG 9 2HG ARG 9 37.896 18.635 -6.850
102 HD2 ARG 9 1HD ARG 9 39.655 19.404 -8.656
103 HD3 ARG 9 2HD ARG 9 38.511 20.727 -8.877
104 HE ARG 9 HE ARG 9 38.927 20.553 -6.165
105 HH11 ARG 9 1HH1 ARG 9 40.894 21.081 -8.988
106 HH12 ARG 9 2HH1 ARG 9 42.058 22.058 -8.155
107 HH21 ARG 9 1HH2 ARG 9 40.452 21.838 -5.057
108 HH22 ARG 9 2HH2 ARG 9 41.806 22.487 -5.919
109 HA PRO 10 HA PRO 10 37.767 13.748 -5.864
110 HB2 PRO 10 1HB PRO 10 40.131 12.785 -6.788
111 HB3 PRO 10 2HB PRO 10 38.566 12.241 -7.403
112 HG2 PRO 10 1HG PRO 10 40.468 14.239 -8.567
113 HG3 PRO 10 2HG PRO 10 39.553 12.958 -9.383
114 HD2 PRO 10 1HD PRO 10 38.769 15.550 -9.406
115 HD3 PRO 10 2HD PRO 10 37.613 14.202 -9.434
116 H ASN 11 H ASN 11 39.532 13.437 -4.289
117 HA ASN 11 HA ASN 11 41.047 14.217 -2.782
118 HB2 ASN 11 1HB ASN 11 42.093 16.127 -4.858
119 HB3 ASN 11 2HB ASN 11 42.973 15.311 -3.569
120 HD21 ASN 11 2HD2 ASN 11 42.432 15.357 -6.800
121 HD22 ASN 11 1HD2 ASN 11 42.879 13.736 -7.194
122 H CYS 12 H CYS 12 38.449 15.672 -3.487
123 HA CYS 12 HA CYS 12 38.964 18.408 -2.740
124 HB2 CYS 12 1HB CYS 12 36.469 18.589 -2.740
125 HB3 CYS 12 2HB CYS 12 37.140 17.992 -4.255
126 HA PRO 13 HA PRO 13 38.955 17.467 1.619
127 HB2 PRO 13 1HB PRO 13 39.310 20.029 2.445
128 HB3 PRO 13 2HB PRO 13 40.624 19.036 1.805
129 HG2 PRO 13 1HG PRO 13 38.988 21.131 0.427
130 HG3 PRO 13 2HG PRO 13 40.736 20.845 0.349
131 HD2 PRO 13 1HD PRO 13 39.037 20.017 -1.589
132 HD3 PRO 13 2HD PRO 13 40.515 19.127 -1.171
133 H TYR 14 H TYR 14 37.157 20.265 0.338
134 HA TYR 14 HA TYR 14 35.406 20.671 2.433
135 HB2 TYR 14 1HB TYR 14 35.435 21.289 -0.440
136 HB3 TYR 14 2HB TYR 14 33.823 21.198 0.260
137 HD1 TYR 14 HD1 TYR 14 33.971 22.352 2.835
138 HD2 TYR 14 HD2 TYR 14 36.125 23.474 -0.659
139 HE1 TYR 14 HE1 TYR 14 34.229 24.628 3.732
140 HE2 TYR 14 HE2 TYR 14 36.389 25.753 0.229
141 HH TYR 14 HH TYR 14 34.604 26.993 2.670
142 H CYS 15 H CYS 15 35.296 18.259 -0.113
143 HA CYS 15 HA CYS 15 32.685 17.356 0.144
144 HB2 CYS 15 1HB CYS 15 35.195 15.784 -0.473
145 HB3 CYS 15 2HB CYS 15 33.558 15.173 -0.695
146 H LYS 16 H LYS 16 35.386 16.959 2.270
147 HA LYS 16 HA LYS 16 34.774 14.682 3.685
148 HB2 LYS 16 1HB LYS 16 35.942 17.310 4.577
149 HB3 LYS 16 2HB LYS 16 35.758 15.957 5.686
150 HG2 LYS 16 1HG LYS 16 37.249 14.609 4.422
151 HG3 LYS 16 2HG LYS 16 37.270 15.771 3.093
152 HD2 LYS 16 1HD LYS 16 38.596 17.273 4.258
153 HD3 LYS 16 2HD LYS 16 38.148 16.605 5.829
154 HE2 LYS 16 1HE LYS 16 40.283 15.790 5.599
155 HE3 LYS 16 2HE LYS 16 39.343 14.462 4.921
156 HZ1 LYS 16 3HZ LYS 16 40.983 16.469 3.521
157 HZ2 LYS 16 1HZ LYS 16 39.720 15.690 2.709
158 HZ3 LYS 16 2HZ LYS 16 40.992 14.785 3.360
159 H ARG 17 H ARG 17 33.299 17.868 3.921
160 HA ARG 17 HA ARG 17 31.779 17.379 6.254
161 HB2 ARG 17 1HB ARG 17 31.234 19.290 3.974
162 HB3 ARG 17 2HB ARG 17 30.450 19.331 5.548
163 HG2 ARG 17 1HG ARG 17 33.406 19.431 5.519
164 HG3 ARG 17 2HG ARG 17 32.541 20.855 4.935
165 HD2 ARG 17 1HD ARG 17 31.745 21.375 6.985
166 HD3 ARG 17 2HD ARG 17 31.539 19.686 7.447
167 HE ARG 17 HE ARG 17 34.275 20.216 7.334
168 HH11 ARG 17 1HH1 ARG 17 31.487 21.159 9.193
169 HH12 ARG 17 2HH1 ARG 17 32.392 21.467 10.638
170 HH21 ARG 17 1HH2 ARG 17 35.478 20.619 9.229
171 HH22 ARG 17 2HH2 ARG 17 34.662 21.160 10.657
172 H ALA 18 H ALA 18 30.856 17.306 2.811
173 HA ALA 18 HA ALA 18 28.230 16.388 3.226
174 HB1 ALA 18 1HB ALA 18 28.199 15.889 0.861
175 HB2 ALA 18 2HB ALA 18 29.019 17.427 1.134
176 HB3 ALA 18 3HB ALA 18 29.959 15.975 0.791
177 H ARG 19 H ARG 19 31.099 14.568 2.125
178 HA ARG 19 HA ARG 19 29.997 12.041 2.090
179 HB2 ARG 19 1HB ARG 19 32.207 11.181 2.142
180 HB3 ARG 19 2HB ARG 19 32.309 12.736 1.328
181 HG2 ARG 19 1HG ARG 19 34.079 12.958 2.718
182 HG3 ARG 19 2HG ARG 19 32.821 13.561 3.798
183 HD2 ARG 19 1HD ARG 19 33.686 12.046 5.225
184 HD3 ARG 19 2HD ARG 19 32.677 10.920 4.318
185 HE ARG 19 HE ARG 19 35.139 11.090 3.022
186 HH11 ARG 19 1HH1 ARG 19 33.843 9.989 6.061
187 HH12 ARG 19 2HH1 ARG 19 35.053 8.771 6.285
188 HH21 ARG 19 1HH2 ARG 19 36.738 9.488 3.306
189 HH22 ARG 19 2HH2 ARG 19 36.700 8.487 4.718
190 H ASP 20 H ASP 20 31.199 13.889 4.824
191 HA ASP 20 HA ASP 20 31.113 11.751 6.701
192 HB2 ASP 20 1HB ASP 20 32.505 13.630 7.206
193 HB3 ASP 20 2HB ASP 20 31.158 14.752 7.034
194 H LEU 21 H LEU 21 28.843 14.282 5.749
195 HA LEU 21 HA LEU 21 26.916 13.866 7.739
196 HB2 LEU 21 1HB LEU 21 27.079 15.758 6.051
197 HB3 LEU 21 2HB LEU 21 26.304 14.666 4.906
198 HG LEU 21 HG LEU 21 24.867 14.975 7.446
199 HD11 LEU 21 1HD1 LEU 21 24.949 17.191 7.578
200 HD12 LEU 21 2HD1 LEU 21 24.066 17.241 6.053
201 HD13 LEU 21 3HD1 LEU 21 25.827 17.317 6.054
202 HD21 LEU 21 3HD2 LEU 21 22.969 15.184 5.905
203 HD22 LEU 21 1HD2 LEU 21 23.950 13.762 5.550
204 HD23 LEU 21 2HD2 LEU 21 24.087 15.202 4.540
205 H LEU 22 H LEU 22 27.024 12.583 4.413
206 HA LEU 22 HA LEU 22 24.768 10.913 4.701
207 HB2 LEU 22 1HB LEU 22 27.108 10.695 2.813
208 HB3 LEU 22 2HB LEU 22 25.600 9.796 2.665
209 HG LEU 22 HG LEU 22 25.031 11.430 1.242
210 HD11 LEU 22 1HD1 LEU 22 23.797 13.197 2.214
211 HD12 LEU 22 2HD1 LEU 22 24.779 13.175 3.679
212 HD13 LEU 22 3HD1 LEU 22 23.681 11.839 3.333
213 HD21 LEU 22 3HD2 LEU 22 27.515 12.380 1.882
214 HD22 LEU 22 1HD2 LEU 22 26.470 13.727 2.334
215 HD23 LEU 22 2HD2 LEU 22 26.425 13.090 0.690
216 H ASP 23 H ASP 23 28.244 10.281 5.009
217 HA ASP 23 HA ASP 23 28.051 7.516 5.482
218 HB2 ASP 23 1HB ASP 23 30.151 8.768 4.913
219 HB3 ASP 23 2HB ASP 23 30.169 9.383 6.563
220 H LYS 24 H LYS 24 27.584 10.274 7.547
221 HA LYS 24 HA LYS 24 27.738 8.805 10.010
222 HB2 LYS 24 1HB LYS 24 27.089 11.592 9.205
223 HB3 LYS 24 2HB LYS 24 26.445 11.033 10.743
224 HG2 LYS 24 1HG LYS 24 28.990 10.224 11.002
225 HG3 LYS 24 2HG LYS 24 29.221 11.623 9.950
226 HD2 LYS 24 1HD LYS 24 28.049 13.041 11.530
227 HD3 LYS 24 2HD LYS 24 27.702 11.650 12.559
228 HE2 LYS 24 1HE LYS 24 30.535 12.245 11.859
229 HE3 LYS 24 2HE LYS 24 29.731 13.255 13.060
230 HZ1 LYS 24 3HZ LYS 24 29.929 11.661 14.570
231 HZ2 LYS 24 1HZ LYS 24 30.911 10.810 13.487
232 HZ3 LYS 24 2HZ LYS 24 29.251 10.496 13.549
233 H LYS 25 H LYS 25 25.159 9.965 7.895
234 HA LYS 25 HA LYS 25 23.024 9.166 9.600
235 HB2 LYS 25 1HB LYS 25 23.312 10.525 7.120
236 HB3 LYS 25 2HB LYS 25 22.200 9.187 6.863
237 HG2 LYS 25 1HG LYS 25 20.953 11.144 7.458
238 HG3 LYS 25 2HG LYS 25 20.861 9.980 8.783
239 HD2 LYS 25 1HD LYS 25 22.981 11.343 9.619
240 HD3 LYS 25 2HD LYS 25 22.233 12.613 8.649
241 HE2 LYS 25 1HE LYS 25 20.170 11.419 10.148
242 HE3 LYS 25 2HE LYS 25 21.518 11.664 11.256
243 HZ1 LYS 25 3HZ LYS 25 20.834 13.878 9.484
244 HZ2 LYS 25 1HZ LYS 25 21.375 13.902 11.087
245 HZ3 LYS 25 2HZ LYS 25 19.757 13.546 10.745
246 H GLY 26 H GLY 26 24.887 7.586 7.094
247 HA2 GLY 26 1HA GLY 26 25.135 5.216 7.041
248 HA3 GLY 26 2HA GLY 26 23.551 5.064 7.788
249 H VAL 27 H VAL 27 24.807 6.677 4.864
250 HA VAL 27 HA VAL 27 22.873 5.126 3.283
251 HB VAL 27 HB VAL 27 22.733 7.316 1.853
252 HG11 VAL 27 1HG1 VAL 27 20.763 8.036 3.218
253 HG12 VAL 27 2HG1 VAL 27 20.794 6.316 2.823
254 HG13 VAL 27 3HG1 VAL 27 21.253 6.860 4.437
255 HG21 VAL 27 3HG2 VAL 27 24.416 8.310 3.672
256 HG22 VAL 27 1HG2 VAL 27 23.234 9.306 2.823
257 HG23 VAL 27 2HG2 VAL 27 22.890 8.726 4.453
258 H LYS 28 H LYS 28 23.348 5.472 0.853
259 HA LYS 28 HA LYS 28 26.263 5.271 0.480
260 HB2 LYS 28 1HB LYS 28 24.274 3.441 -0.154
261 HB3 LYS 28 2HB LYS 28 24.633 4.214 -1.693
262 HG2 LYS 28 1HG LYS 28 26.108 2.457 -1.697
263 HG3 LYS 28 2HG LYS 28 27.109 3.754 -1.040
264 HD2 LYS 28 1HD LYS 28 27.372 2.683 0.900
265 HD3 LYS 28 2HD LYS 28 25.642 2.363 1.038
266 HE2 LYS 28 1HE LYS 28 25.930 0.244 0.431
267 HE3 LYS 28 2HE LYS 28 26.794 0.730 -1.026
268 HZ1 LYS 28 3HZ LYS 28 28.821 0.563 0.011
269 HZ2 LYS 28 1HZ LYS 28 27.979 -0.701 0.757
270 HZ3 LYS 28 2HZ LYS 28 28.185 0.771 1.564
271 H TYR 29 H TYR 29 26.815 7.336 -0.054
272 HA TYR 29 HA TYR 29 25.277 8.791 -2.043
273 HB2 TYR 29 1HB TYR 29 26.742 10.657 -1.554
274 HB3 TYR 29 2HB TYR 29 26.191 9.945 -0.042
275 HD1 TYR 29 HD1 TYR 29 29.071 10.311 -2.313
276 HD2 TYR 29 HD2 TYR 29 27.733 8.931 1.483
277 HE1 TYR 29 HE1 TYR 29 31.407 10.072 -1.583
278 HE2 TYR 29 HE2 TYR 29 30.065 8.690 2.224
279 HH TYR 29 HH TYR 29 32.729 8.977 0.029
280 H THR 30 H THR 30 25.921 9.247 -4.097
281 HA THR 30 HA THR 30 28.183 7.689 -5.112
282 HB THR 30 HB THR 30 25.889 9.014 -6.569
283 HG1 THR 30 HG1 THR 30 25.088 7.165 -5.783
284 HG21 THR 30 3HG2 THR 30 28.465 8.063 -7.521
285 HG22 THR 30 1HG2 THR 30 27.224 8.987 -8.365
286 HG23 THR 30 2HG2 THR 30 27.118 7.228 -8.295
287 H ASP 31 H ASP 31 30.032 8.637 -5.648
288 HA ASP 31 HA ASP 31 30.148 11.555 -5.755
289 HB2 ASP 31 1HB ASP 31 32.525 11.331 -5.465
290 HB3 ASP 31 2HB ASP 31 31.733 10.268 -4.304
291 H ILE 32 H ILE 32 30.304 12.634 -7.604
292 HA ILE 32 HA ILE 32 30.923 11.123 -10.051
293 HB ILE 32 HB ILE 32 29.463 13.753 -9.779
294 HG12 ILE 32 1HG1 ILE 32 28.196 11.811 -8.904
295 HG13 ILE 32 2HG1 ILE 32 27.454 12.501 -10.343
296 HG21 ILE 32 1HG2 ILE 32 28.850 12.856 -12.238
297 HG22 ILE 32 2HG2 ILE 32 30.190 13.952 -11.905
298 HG23 ILE 32 3HG2 ILE 32 30.489 12.222 -12.080
299 HD11 ILE 32 3HD1 ILE 32 29.254 10.466 -11.158
300 HD12 ILE 32 1HD1 ILE 32 28.233 9.830 -9.869
301 HD13 ILE 32 2HD1 ILE 32 27.499 10.521 -11.316
302 H ASP 33 H ASP 33 32.833 11.459 -10.955
303 HA ASP 33 HA ASP 33 34.700 13.340 -10.034
304 HB2 ASP 33 1HB ASP 33 34.540 11.535 -12.416
305 HB3 ASP 33 2HB ASP 33 35.806 12.758 -12.349
306 H ALA 34 H ALA 34 35.402 15.297 -10.823
307 HA ALA 34 HA ALA 34 33.523 17.020 -11.959
308 HB1 ALA 34 1HB ALA 34 36.492 17.210 -11.586
309 HB2 ALA 34 2HB ALA 34 35.579 18.500 -12.369
310 HB3 ALA 34 3HB ALA 34 35.207 18.039 -10.708
311 H SER 35 H SER 35 35.625 14.755 -13.439
312 HA SER 35 HA SER 35 36.200 15.819 -15.902
313 HB2 SER 35 1HB SER 35 35.397 12.991 -15.191
314 HB3 SER 35 2HB SER 35 36.042 13.454 -16.765
315 HG SER 35 HG SER 35 37.317 13.491 -14.249
316 H THR 36 H THR 36 34.975 16.732 -17.396
317 HA THR 36 HA THR 36 32.160 16.671 -17.384
318 HB THR 36 HB THR 36 32.252 17.878 -19.484
319 HG1 THR 36 HG1 THR 36 33.862 17.598 -20.826
320 HG21 THR 36 3HG2 THR 36 34.551 19.246 -18.501
321 HG22 THR 36 1HG2 THR 36 33.627 18.648 -17.125
322 HG23 THR 36 2HG2 THR 36 32.852 19.682 -18.324
323 H SER 37 H SER 37 34.516 14.596 -18.826
324 HA SER 37 HA SER 37 33.215 13.517 -20.993
325 HB2 SER 37 1HB SER 37 35.057 12.287 -18.954
326 HB3 SER 37 2HB SER 37 34.406 11.329 -20.284
327 HG SER 37 HG SER 37 35.754 12.272 -21.585
328 H LEU 38 H LEU 38 32.569 13.016 -17.597
329 HA LEU 38 HA LEU 38 30.287 11.307 -18.336
330 HB2 LEU 38 1HB LEU 38 31.853 11.149 -15.768
331 HB3 LEU 38 2HB LEU 38 30.537 10.092 -16.275
332 HG LEU 38 HG LEU 38 33.163 10.262 -17.740
333 HD11 LEU 38 1HD1 LEU 38 33.982 8.440 -16.520
334 HD12 LEU 38 2HD1 LEU 38 32.413 8.110 -15.787
335 HD13 LEU 38 3HD1 LEU 38 33.331 9.535 -15.301
336 HD21 LEU 38 3HD2 LEU 38 30.746 9.167 -18.468
337 HD22 LEU 38 1HD2 LEU 38 31.625 7.791 -17.801
338 HD23 LEU 38 2HD2 LEU 38 32.324 8.725 -19.124
339 H ARG 39 H ARG 39 31.551 13.809 -16.220
340 HA ARG 39 HA ARG 39 29.280 14.188 -14.617
341 HB2 ARG 39 1HB ARG 39 31.534 15.142 -14.158
342 HB3 ARG 39 2HB ARG 39 31.286 16.278 -15.477
343 HG2 ARG 39 1HG ARG 39 29.201 16.205 -13.387
344 HG3 ARG 39 2HG ARG 39 30.772 16.863 -12.926
345 HD2 ARG 39 1HD ARG 39 29.086 17.767 -15.258
346 HD3 ARG 39 2HD ARG 39 29.266 18.616 -13.723
347 HE ARG 39 HE ARG 39 31.057 18.689 -15.927
348 HH11 ARG 39 1HH1 ARG 39 30.938 18.742 -12.448
349 HH12 ARG 39 2HH1 ARG 39 32.419 19.624 -12.280
350 HH21 ARG 39 1HH2 ARG 39 33.008 19.851 -15.719
351 HH22 ARG 39 2HH2 ARG 39 33.596 20.256 -14.142
352 H GLN 40 H GLN 40 30.190 15.545 -17.747
353 HA GLN 40 HA GLN 40 28.139 17.447 -17.957
354 HB2 GLN 40 1HB GLN 40 30.215 17.160 -19.428
355 HB3 GLN 40 2HB GLN 40 29.291 15.942 -20.298
356 HG2 GLN 40 1HG GLN 40 29.063 17.938 -21.517
357 HG3 GLN 40 2HG GLN 40 27.535 17.704 -20.669
358 HE21 GLN 40 2HE2 GLN 40 26.996 19.066 -18.964
359 HE22 GLN 40 1HE2 GLN 40 27.802 20.571 -18.701
360 H GLU 41 H GLU 41 28.260 14.029 -18.845
361 HA GLU 41 HA GLU 41 25.736 13.951 -20.126
362 HB2 GLU 41 1HB GLU 41 26.995 11.602 -18.730
363 HB3 GLU 41 2HB GLU 41 25.981 11.606 -20.166
364 HG2 GLU 41 1HG GLU 41 28.833 12.523 -19.934
365 HG3 GLU 41 2HG GLU 41 28.211 11.147 -20.843
366 H MET 42 H MET 42 26.762 13.046 -16.840
367 HA MET 42 HA MET 42 24.213 12.294 -15.916
368 HB2 MET 42 1HB MET 42 26.831 12.930 -14.693
369 HB3 MET 42 2HB MET 42 25.432 13.096 -13.640
370 HG2 MET 42 1HG MET 42 26.128 10.919 -13.282
371 HG3 MET 42 2HG MET 42 24.803 10.743 -14.429
372 HE1 MET 42 3HE MET 42 28.969 9.228 -14.792
373 HE2 MET 42 1HE MET 42 28.921 10.941 -14.376
374 HE3 MET 42 2HE MET 42 28.048 9.770 -13.388
375 H VAL 43 H VAL 43 26.006 15.345 -15.496
376 HA VAL 43 HA VAL 43 24.009 16.723 -14.098
377 HB VAL 43 HB VAL 43 26.435 17.419 -14.425
378 HG11 VAL 43 1HG1 VAL 43 25.327 18.656 -16.942
379 HG12 VAL 43 2HG1 VAL 43 26.966 18.826 -16.311
380 HG13 VAL 43 3HG1 VAL 43 26.403 17.260 -16.895
381 HG21 VAL 43 3HG2 VAL 43 24.176 18.858 -13.785
382 HG22 VAL 43 1HG2 VAL 43 25.842 19.384 -13.543
383 HG23 VAL 43 2HG2 VAL 43 24.966 19.868 -14.995
384 H GLN 44 H GLN 44 24.467 16.156 -17.518
385 HA GLN 44 HA GLN 44 22.650 18.120 -18.455
386 HB2 GLN 44 1HB GLN 44 24.031 17.406 -20.147
387 HB3 GLN 44 2HB GLN 44 23.997 15.730 -19.615
388 HG2 GLN 44 1HG GLN 44 22.098 15.250 -20.772
389 HG3 GLN 44 2HG GLN 44 21.486 16.900 -20.670
390 HE21 GLN 44 2HE2 GLN 44 21.105 16.053 -23.010
391 HE22 GLN 44 1HE2 GLN 44 22.307 16.533 -24.155
392 H ARG 45 H ARG 45 22.309 14.616 -17.929
393 HA ARG 45 HA ARG 45 19.498 14.658 -18.515
394 HB2 ARG 45 1HB ARG 45 21.111 12.696 -18.842
395 HB3 ARG 45 2HB ARG 45 20.976 12.444 -17.107
396 HG2 ARG 45 1HG ARG 45 18.582 12.100 -17.320
397 HG3 ARG 45 2HG ARG 45 18.679 12.415 -19.054
398 HD2 ARG 45 1HD ARG 45 20.074 10.465 -19.366
399 HD3 ARG 45 2HD ARG 45 20.120 10.183 -17.626
400 HE ARG 45 HE ARG 45 17.484 10.107 -18.156
401 HH11 ARG 45 1HH1 ARG 45 20.223 8.538 -19.625
402 HH12 ARG 45 2HH1 ARG 45 19.328 7.133 -20.101
403 HH21 ARG 45 1HH2 ARG 45 16.295 8.263 -18.778
404 HH22 ARG 45 2HH2 ARG 45 17.093 6.978 -19.620
405 H ALA 46 H ALA 46 21.322 15.532 -15.849
406 HA ALA 46 HA ALA 46 19.379 14.738 -13.845
407 HB1 ALA 46 1HB ALA 46 20.887 15.743 -12.242
408 HB2 ALA 46 2HB ALA 46 21.789 14.697 -13.340
409 HB3 ALA 46 3HB ALA 46 21.845 16.448 -13.545
410 H ASN 47 H ASN 47 20.502 17.701 -15.420
411 HA ASN 47 HA ASN 47 18.085 19.049 -14.419
412 HB2 ASN 47 1HB ASN 47 19.742 21.151 -14.654
413 HB3 ASN 47 2HB ASN 47 19.558 20.245 -13.155
414 HD21 ASN 47 2HD2 ASN 47 21.707 21.364 -15.453
415 HD22 ASN 47 1HD2 ASN 47 23.091 20.437 -14.992
416 H GLY 48 H GLY 48 20.576 18.864 -16.915
417 HA2 GLY 48 1HA GLY 48 20.353 19.137 -19.201
418 HA3 GLY 48 2HA GLY 48 18.644 19.465 -18.957
419 H ARG 49 H ARG 49 21.042 21.271 -17.208
420 HA ARG 49 HA ARG 49 20.485 23.597 -18.930
421 HB2 ARG 49 1HB ARG 49 19.462 23.647 -16.618
422 HB3 ARG 49 2HB ARG 49 21.099 23.696 -15.976
423 HG2 ARG 49 1HG ARG 49 21.499 25.827 -16.815
424 HG3 ARG 49 2HG ARG 49 20.171 25.722 -17.973
425 HD2 ARG 49 1HD ARG 49 19.554 27.201 -16.168
426 HD3 ARG 49 2HD ARG 49 18.574 25.737 -16.092
427 HE ARG 49 HE ARG 49 20.738 25.290 -14.444
428 HH11 ARG 49 1HH1 ARG 49 18.121 27.578 -14.636
429 HH12 ARG 49 2HH1 ARG 49 18.055 27.843 -12.925
430 HH21 ARG 49 1HH2 ARG 49 20.660 25.630 -12.190
431 HH22 ARG 49 2HH2 ARG 49 19.500 26.735 -11.535
432 H ASN 50 H ASN 50 22.846 21.539 -17.648
433 HA ASN 50 HA ASN 50 25.125 21.556 -17.605
434 HB2 ASN 50 1HB ASN 50 24.776 23.457 -19.934
435 HB3 ASN 50 2HB ASN 50 26.210 22.500 -19.574
436 HD21 ASN 50 2HD2 ASN 50 25.206 22.243 -22.009
437 HD22 ASN 50 1HD2 ASN 50 24.385 20.736 -22.202
438 H THR 51 H THR 51 25.442 22.572 -15.620
439 HA THR 51 HA THR 51 26.486 25.303 -15.824
440 HB THR 51 HB THR 51 25.132 24.828 -13.278
441 HG1 THR 51 HG1 THR 51 23.303 24.159 -14.094
442 HG21 THR 51 3HG2 THR 51 24.343 27.058 -15.034
443 HG22 THR 51 1HG2 THR 51 26.058 26.981 -14.635
444 HG23 THR 51 2HG2 THR 51 24.857 27.070 -13.347
445 H PHE 52 H PHE 52 27.216 25.752 -13.256
446 HA PHE 52 HA PHE 52 29.583 24.284 -12.987
447 HB2 PHE 52 1HB PHE 52 28.085 26.160 -11.191
448 HB3 PHE 52 2HB PHE 52 29.491 25.297 -10.577
449 HD1 PHE 52 HD1 PHE 52 31.711 25.679 -11.582
450 HD2 PHE 52 HD2 PHE 52 28.307 27.977 -12.700
451 HE1 PHE 52 HE1 PHE 52 33.188 27.376 -12.576
452 HE2 PHE 52 HE2 PHE 52 29.779 29.678 -13.697
453 HZ PHE 52 HZ PHE 52 32.223 29.378 -13.637
454 HA PRO 53 HA PRO 53 28.558 20.654 -10.747
455 HB2 PRO 53 1HB PRO 53 30.635 20.436 -9.012
456 HB3 PRO 53 2HB PRO 53 30.797 20.139 -10.747
457 HG2 PRO 53 1HG PRO 53 31.495 22.586 -9.170
458 HG3 PRO 53 2HG PRO 53 32.409 21.791 -10.465
459 HD2 PRO 53 1HD PRO 53 30.911 24.007 -10.888
460 HD3 PRO 53 2HD PRO 53 31.137 22.757 -12.127
461 H GLN 54 H GLN 54 27.793 19.824 -8.755
462 HA GLN 54 HA GLN 54 27.831 21.299 -6.335
463 HB2 GLN 54 1HB GLN 54 25.680 22.201 -6.219
464 HB3 GLN 54 2HB GLN 54 26.197 22.596 -7.853
465 HG2 GLN 54 1HG GLN 54 24.235 20.521 -6.957
466 HG3 GLN 54 2HG GLN 54 24.001 21.855 -8.085
467 HE21 GLN 54 2HE2 GLN 54 24.234 18.634 -7.918
468 HE22 GLN 54 1HE2 GLN 54 24.865 18.283 -9.488
469 H ILE 55 H ILE 55 25.871 20.398 -4.882
470 HA ILE 55 HA ILE 55 26.151 17.495 -5.039
471 HB ILE 55 HB ILE 55 25.147 19.281 -2.822
472 HG12 ILE 55 1HG1 ILE 55 27.225 18.132 -1.720
473 HG13 ILE 55 2HG1 ILE 55 27.713 17.830 -3.384
474 HG21 ILE 55 1HG2 ILE 55 25.167 16.310 -3.117
475 HG22 ILE 55 2HG2 ILE 55 25.386 17.036 -1.525
476 HG23 ILE 55 3HG2 ILE 55 23.920 17.364 -2.449
477 HD11 ILE 55 3HD1 ILE 55 26.926 20.590 -2.631
478 HD12 ILE 55 1HD1 ILE 55 28.486 19.977 -2.084
479 HD13 ILE 55 2HD1 ILE 55 28.113 20.030 -3.808
480 H PHE 56 H PHE 56 24.593 16.284 -5.866
481 HA PHE 56 HA PHE 56 21.923 17.417 -6.209
482 HB2 PHE 56 1HB PHE 56 23.561 15.754 -7.793
483 HB3 PHE 56 2HB PHE 56 22.196 14.763 -7.289
484 HD1 PHE 56 HD1 PHE 56 19.845 15.892 -7.559
485 HD2 PHE 56 HD2 PHE 56 23.351 17.067 -9.666
486 HE1 PHE 56 HE1 PHE 56 18.448 16.931 -9.298
487 HE2 PHE 56 HE2 PHE 56 21.960 18.109 -11.408
488 HZ PHE 56 HZ PHE 56 19.505 18.043 -11.224
489 H ILE 57 H ILE 57 20.028 16.270 -5.606
490 HA ILE 57 HA ILE 57 20.314 13.996 -3.814
491 HB ILE 57 HB ILE 57 18.852 15.114 -2.091
492 HG12 ILE 57 1HG1 ILE 57 19.780 17.790 -2.730
493 HG13 ILE 57 2HG1 ILE 57 18.753 17.146 -4.007
494 HG21 ILE 57 1HG2 ILE 57 21.179 14.737 -1.640
495 HG22 ILE 57 2HG2 ILE 57 21.634 16.170 -2.560
496 HG23 ILE 57 3HG2 ILE 57 20.745 16.340 -1.046
497 HD11 ILE 57 3HD1 ILE 57 16.902 17.200 -2.728
498 HD12 ILE 57 1HD1 ILE 57 17.775 16.798 -1.249
499 HD13 ILE 57 2HD1 ILE 57 17.813 18.447 -1.875
500 H GLY 58 H GLY 58 19.006 12.635 -4.887
501 HA2 GLY 58 1HA GLY 58 17.045 11.709 -5.647
502 HA3 GLY 58 2HA GLY 58 16.199 12.998 -4.804
503 H ASP 59 H ASP 59 15.752 14.950 -5.907
504 HA ASP 59 HA ASP 59 16.216 14.935 -8.801
505 HB2 ASP 59 1HB ASP 59 13.918 13.985 -8.164
506 HB3 ASP 59 2HB ASP 59 13.511 15.626 -7.668
507 H TYR 60 H TYR 60 17.126 16.461 -6.335
508 HA TYR 60 HA TYR 60 16.616 19.138 -7.438
509 HB2 TYR 60 1HB TYR 60 15.267 19.065 -5.473
510 HB3 TYR 60 2HB TYR 60 16.549 18.301 -4.539
511 HD1 TYR 60 HD1 TYR 60 15.495 21.463 -6.141
512 HD2 TYR 60 HD2 TYR 60 18.212 19.599 -3.449
513 HE1 TYR 60 HE1 TYR 60 16.247 23.676 -5.377
514 HE2 TYR 60 HE2 TYR 60 18.971 21.807 -2.677
515 HH TYR 60 HH TYR 60 18.528 24.563 -4.270
516 H HIS 61 H HIS 61 18.316 20.626 -7.246
517 HA HIS 61 HA HIS 61 20.923 19.397 -6.645
518 HB2 HIS 61 1HB HIS 61 21.841 21.189 -8.168
519 HB3 HIS 61 2HB HIS 61 20.828 19.984 -8.957
520 HD1 HIS 61 HD1 HIS 61 18.346 20.781 -9.549
521 HD2 HIS 61 HD2 HIS 61 21.003 23.780 -8.450
522 HE1 HIS 61 HE1 HIS 61 17.284 22.931 -10.307
523 H VAL 62 H VAL 62 21.774 20.045 -4.789
524 HA VAL 62 HA VAL 62 20.865 22.126 -3.195
525 HB VAL 62 HB VAL 62 23.645 20.944 -3.243
526 HG11 VAL 62 1HG1 VAL 62 23.819 21.714 -0.943
527 HG12 VAL 62 2HG1 VAL 62 23.528 23.074 -2.029
528 HG13 VAL 62 3HG1 VAL 62 22.212 22.432 -1.045
529 HG21 VAL 62 3HG2 VAL 62 21.890 19.259 -2.960
530 HG22 VAL 62 1HG2 VAL 62 22.833 19.465 -1.483
531 HG23 VAL 62 2HG2 VAL 62 21.225 20.179 -1.610
532 H GLY 63 H GLY 63 24.105 22.166 -4.674
533 HA2 GLY 63 1HA GLY 63 24.415 24.103 -6.309
534 HA3 GLY 63 2HA GLY 63 23.805 25.083 -4.985
535 H GLY 64 H GLY 64 25.183 23.568 -2.919
536 HA2 GLY 64 1HA GLY 64 28.009 23.818 -3.545
537 HA3 GLY 64 2HA GLY 64 27.386 25.002 -2.405
538 H CYS 65 H CYS 65 29.372 23.411 -1.553
539 HA CYS 65 HA CYS 65 28.527 20.982 -0.361
540 HB2 CYS 65 1HB CYS 65 30.933 21.900 -0.857
541 HB3 CYS 65 2HB CYS 65 30.790 22.601 0.750
542 HG CYS 65 HG CYS 65 31.036 19.341 -0.143
543 H ASP 66 H ASP 66 29.484 24.003 1.277
544 HA ASP 66 HA ASP 66 28.427 23.374 3.766
545 HB2 ASP 66 1HB ASP 66 28.818 26.070 2.455
546 HB3 ASP 66 2HB ASP 66 28.409 25.857 4.155
547 H ASP 67 H ASP 67 26.840 24.469 0.888
548 HA ASP 67 HA ASP 67 24.520 25.608 1.872
549 HB2 ASP 67 1HB ASP 67 24.827 23.810 -0.543
550 HB3 ASP 67 2HB ASP 67 23.450 24.863 -0.231
551 H LEU 68 H LEU 68 25.030 22.171 1.063
552 HA LEU 68 HA LEU 68 22.575 21.198 1.892
553 HB2 LEU 68 1HB LEU 68 23.512 19.070 1.837
554 HB3 LEU 68 2HB LEU 68 24.485 19.997 0.697
555 HG LEU 68 HG LEU 68 26.022 20.293 2.848
556 HD11 LEU 68 1HD1 LEU 68 25.928 17.771 3.764
557 HD12 LEU 68 2HD1 LEU 68 24.212 18.052 3.476
558 HD13 LEU 68 3HD1 LEU 68 25.112 19.124 4.548
559 HD21 LEU 68 3HD2 LEU 68 26.077 17.706 1.319
560 HD22 LEU 68 1HD2 LEU 68 27.434 18.639 1.952
561 HD23 LEU 68 2HD2 LEU 68 26.507 19.251 0.582
562 H TYR 69 H TYR 69 25.443 21.939 3.786
563 HA TYR 69 HA TYR 69 24.544 20.756 6.204
564 HB2 TYR 69 1HB TYR 69 26.855 22.160 5.294
565 HB3 TYR 69 2HB TYR 69 26.292 22.931 6.773
566 HD1 TYR 69 HD2 TYR 69 27.311 19.669 5.327
567 HD2 TYR 69 HD1 TYR 69 26.677 21.936 8.871
568 HE1 TYR 69 HE2 TYR 69 28.368 17.885 6.651
569 HE2 TYR 69 HE1 TYR 69 27.733 20.160 10.204
570 HH TYR 69 HH TYR 69 28.322 17.905 10.130
571 H ALA 70 H ALA 70 24.633 24.146 5.111
572 HA ALA 70 HA ALA 70 23.405 25.304 7.318
573 HB1 ALA 70 1HB ALA 70 24.384 26.227 4.949
574 HB2 ALA 70 2HB ALA 70 22.653 26.508 4.758
575 HB3 ALA 70 3HB ALA 70 23.512 27.202 6.133
576 H LEU 71 H LEU 71 21.892 24.166 4.299
577 HA LEU 71 HA LEU 71 19.249 24.762 4.998
578 HB2 LEU 71 1HB LEU 71 20.312 22.585 3.205
579 HB3 LEU 71 2HB LEU 71 18.627 23.095 3.282
580 HG LEU 71 HG LEU 71 20.822 25.007 2.536
581 HD11 LEU 71 1HD1 LEU 71 19.268 23.186 0.704
582 HD12 LEU 71 2HD1 LEU 71 21.007 23.153 0.995
583 HD13 LEU 71 3HD1 LEU 71 20.276 24.537 0.183
584 HD21 LEU 71 3HD2 LEU 71 18.035 25.218 2.964
585 HD22 LEU 71 1HD2 LEU 71 18.320 25.409 1.234
586 HD23 LEU 71 2HD2 LEU 71 19.151 26.456 2.384
587 H GLU 72 H GLU 72 21.107 21.759 5.393
588 HA GLU 72 HA GLU 72 19.098 20.161 6.456
589 HB2 GLU 72 1HB GLU 72 21.106 19.083 5.874
590 HB3 GLU 72 2HB GLU 72 22.080 20.190 6.833
591 HG2 GLU 72 1HG GLU 72 20.108 18.608 8.335
592 HG3 GLU 72 2HG GLU 72 21.425 17.695 7.599
593 H ASN 73 H ASN 73 21.224 22.484 8.050
594 HA ASN 73 HA ASN 73 20.182 21.880 10.672
595 HB2 ASN 73 1HB ASN 73 22.535 22.624 10.292
596 HB3 ASN 73 2HB ASN 73 21.919 24.203 9.812
597 HD21 ASN 73 2HD2 ASN 73 21.848 21.875 12.471
598 HD22 ASN 73 1HD2 ASN 73 21.779 23.053 13.733
599 H LYS 74 H LYS 74 19.369 23.954 8.067
600 HA LYS 74 HA LYS 74 17.962 25.912 9.635
601 HB2 LYS 74 1HB LYS 74 18.621 25.491 6.824
602 HB3 LYS 74 2HB LYS 74 16.986 26.099 7.048
603 HG2 LYS 74 1HG LYS 74 18.499 27.939 6.732
604 HG3 LYS 74 2HG LYS 74 17.889 27.958 8.388
605 HD2 LYS 74 1HD LYS 74 20.022 26.649 8.972
606 HD3 LYS 74 2HD LYS 74 20.610 27.171 7.391
607 HE2 LYS 74 1HE LYS 74 20.365 29.483 8.010
608 HE3 LYS 74 2HE LYS 74 19.596 29.037 9.532
609 HZ1 LYS 74 3HZ LYS 74 22.350 29.288 8.942
610 HZ2 LYS 74 1HZ LYS 74 22.023 27.713 9.468
611 HZ3 LYS 74 2HZ LYS 74 21.602 29.034 10.438
612 H GLY 75 H GLY 75 17.252 22.823 8.283
613 HA2 GLY 75 1HA GLY 75 15.181 21.908 9.474
614 HA3 GLY 75 2HA GLY 75 14.366 23.259 8.700
615 H LYS 76 H LYS 76 16.654 22.371 6.562
616 HA LYS 76 HA LYS 76 14.738 20.999 4.895
617 HB2 LYS 76 1HB LYS 76 17.610 21.805 4.408
618 HB3 LYS 76 2HB LYS 76 16.566 21.074 3.197
619 HG2 LYS 76 1HG LYS 76 16.095 23.715 4.565
620 HG3 LYS 76 2HG LYS 76 16.699 23.488 2.922
621 HD2 LYS 76 1HD LYS 76 14.522 22.117 2.581
622 HD3 LYS 76 2HD LYS 76 13.963 22.966 4.024
623 HE2 LYS 76 1HE LYS 76 15.030 24.316 1.548
624 HE3 LYS 76 2HE LYS 76 13.318 24.070 1.892
625 HZ1 LYS 76 3HZ LYS 76 15.221 25.664 3.522
626 HZ2 LYS 76 1HZ LYS 76 13.601 25.383 3.922
627 HZ3 LYS 76 2HZ LYS 76 13.988 26.276 2.538
628 H LEU 77 H LEU 77 16.615 19.948 7.320
629 HA LEU 77 HA LEU 77 18.085 17.794 6.429
630 HB2 LEU 77 1HB LEU 77 18.162 18.477 8.721
631 HB3 LEU 77 2HB LEU 77 16.453 18.105 8.940
632 HG LEU 77 HG LEU 77 17.571 15.691 8.157
633 HD11 LEU 77 1HD1 LEU 77 19.386 15.473 9.935
634 HD12 LEU 77 2HD1 LEU 77 19.461 17.234 9.903
635 HD13 LEU 77 3HD1 LEU 77 19.810 16.310 8.442
636 HD21 LEU 77 3HD2 LEU 77 16.732 16.868 10.783
637 HD22 LEU 77 1HD2 LEU 77 17.322 15.209 10.672
638 HD23 LEU 77 2HD2 LEU 77 15.890 15.697 9.767
639 H ASP 78 H ASP 78 14.613 18.001 7.019
640 HA ASP 78 HA ASP 78 13.910 15.332 6.820
641 HB2 ASP 78 1HB ASP 78 12.187 16.801 7.435
642 HB3 ASP 78 2HB ASP 78 12.479 17.865 6.062
643 H SER 79 H SER 79 14.215 17.715 4.197
644 HA SER 79 HA SER 79 13.602 15.882 2.122
645 HB2 SER 79 1HB SER 79 13.384 18.322 1.846
646 HB3 SER 79 2HB SER 79 15.135 18.490 1.977
647 HG SER 79 HG SER 79 13.935 18.245 -0.215
648 H LEU 80 H LEU 80 16.682 17.192 3.325
649 HA LEU 80 HA LEU 80 18.405 15.910 1.573
650 HB2 LEU 80 1HB LEU 80 18.622 16.998 4.318
651 HB3 LEU 80 2HB LEU 80 19.905 15.913 3.786
652 HG LEU 80 HG LEU 80 20.442 18.309 3.481
653 HD11 LEU 80 1HD1 LEU 80 20.512 16.244 1.425
654 HD12 LEU 80 2HD1 LEU 80 21.788 17.314 2.005
655 HD13 LEU 80 3HD1 LEU 80 20.650 17.881 0.783
656 HD21 LEU 80 3HD2 LEU 80 18.693 18.557 1.132
657 HD22 LEU 80 1HD2 LEU 80 19.156 19.757 2.339
658 HD23 LEU 80 2HD2 LEU 80 17.869 18.603 2.691
659 H LEU 81 H LEU 81 17.020 14.734 4.611
660 HA LEU 81 HA LEU 81 18.426 12.253 4.575
661 HB2 LEU 81 1HB LEU 81 16.396 13.558 6.223
662 HB3 LEU 81 2HB LEU 81 16.200 11.809 6.113
663 HG LEU 81 HG LEU 81 18.574 11.583 6.883
664 HD11 LEU 81 1HD1 LEU 81 19.809 13.437 6.723
665 HD12 LEU 81 2HD1 LEU 81 19.042 13.913 8.237
666 HD13 LEU 81 3HD1 LEU 81 18.395 14.491 6.702
667 HD21 LEU 81 3HD2 LEU 81 17.259 11.117 8.653
668 HD22 LEU 81 1HD2 LEU 81 16.295 12.581 8.460
669 HD23 LEU 81 2HD2 LEU 81 17.869 12.661 9.252
670 H GLN 82 H GLN 82 15.194 13.283 3.571
671 HA GLN 82 HA GLN 82 14.198 10.733 2.920
672 HB2 GLN 82 1HB GLN 82 12.858 12.853 3.186
673 HB3 GLN 82 2HB GLN 82 13.431 13.335 1.595
674 HG2 GLN 82 1HG GLN 82 12.470 10.895 1.018
675 HG3 GLN 82 2HG GLN 82 11.413 11.333 2.359
676 HE21 GLN 82 2HE2 GLN 82 12.592 12.379 -0.786
677 HE22 GLN 82 1HE2 GLN 82 11.211 13.334 -1.192
678 H ASP 83 H ASP 83 16.330 12.897 1.254
679 HA ASP 83 HA ASP 83 16.036 11.572 -1.301
680 HB2 ASP 83 1HB ASP 83 17.814 13.786 -0.291
681 HB3 ASP 83 2HB ASP 83 18.032 13.074 -1.888
682 H VAL 84 H VAL 84 18.666 11.963 1.074
683 HA VAL 84 HA VAL 84 20.453 10.178 -0.160
684 HB VAL 84 HB VAL 84 21.677 10.159 1.935
685 HG11 VAL 84 1HG1 VAL 84 22.172 12.098 0.782
686 HG12 VAL 84 2HG1 VAL 84 20.547 12.756 0.980
687 HG13 VAL 84 3HG1 VAL 84 21.661 12.726 2.348
688 HG21 VAL 84 3HG2 VAL 84 20.593 11.594 3.829
689 HG22 VAL 84 1HG2 VAL 84 19.082 11.137 3.041
690 HG23 VAL 84 2HG2 VAL 84 20.168 9.891 3.658
691 H HIS 85 H HIS 85 17.815 9.681 2.085
692 HA HIS 85 HA HIS 85 18.382 7.155 3.058
693 HB2 HIS 85 1HB HIS 85 16.497 8.416 3.892
694 HB3 HIS 85 2HB HIS 85 15.711 8.363 2.317
695 HD1 HIS 85 HD1 HIS 85 13.700 6.957 2.686
696 HD2 HIS 85 HD2 HIS 85 17.104 5.288 4.387
697 HE1 HIS 85 HE1 HIS 85 12.987 4.703 3.544
Start of MODEL 12
1 H1 GLY -3 H GLY -3 8.174 -1.432 4.110
2 HA2 GLY -3 1HA GLY -3 8.077 0.787 5.286
3 HA3 GLY -3 2HA GLY -3 9.392 0.676 4.125
4 HA PRO -2 HA PRO -2 5.828 3.222 2.034
5 HB2 PRO -2 1HB PRO -2 3.899 4.136 3.711
6 HB3 PRO -2 2HB PRO -2 3.779 2.592 2.858
7 HG2 PRO -2 1HG PRO -2 4.602 3.136 5.685
8 HG3 PRO -2 2HG PRO -2 3.542 1.863 5.054
9 HD2 PRO -2 1HD PRO -2 6.133 1.414 5.699
10 HD3 PRO -2 2HD PRO -2 5.311 0.545 4.387
11 H GLY -1 H GLY -1 7.705 4.597 2.057
12 HA2 GLY -1 1HA GLY -1 7.235 7.039 3.591
13 HA3 GLY -1 2HA GLY -1 8.788 6.247 3.813
14 H SER 0 H SER 0 10.390 6.874 2.531
15 HA SER 0 HA SER 0 9.975 7.565 -0.222
16 HB2 SER 0 1HB SER 0 10.605 9.724 1.793
17 HB3 SER 0 2HB SER 0 10.965 9.894 0.075
18 HG SER 0 HG SER 0 8.946 10.335 -0.249
19 H MET 1 H MET 1 11.678 6.757 -1.234
20 HA MET 1 HA MET 1 14.286 6.806 0.139
21 HB2 MET 1 1HB MET 1 13.348 4.734 -1.849
22 HB3 MET 1 2HB MET 1 14.850 4.715 -0.936
23 HG2 MET 1 1HG MET 1 13.381 4.672 1.147
24 HG3 MET 1 2HG MET 1 12.057 4.280 0.053
25 HE1 MET 1 3HE MET 1 15.675 3.145 1.223
26 HE2 MET 1 1HE MET 1 14.418 2.892 2.435
27 HE3 MET 1 2HE MET 1 15.217 1.506 1.691
28 H LYS 2 H LYS 2 15.963 7.688 -0.920
29 HA LYS 2 HA LYS 2 15.828 8.060 -3.810
30 HB2 LYS 2 1HB LYS 2 15.713 10.232 -1.790
31 HB3 LYS 2 2HB LYS 2 16.761 10.499 -3.178
32 HG2 LYS 2 1HG LYS 2 13.848 9.762 -3.363
33 HG3 LYS 2 2HG LYS 2 14.477 11.409 -3.456
34 HD2 LYS 2 1HD LYS 2 15.992 10.396 -5.339
35 HD3 LYS 2 2HD LYS 2 14.732 9.161 -5.405
36 HE2 LYS 2 1HE LYS 2 13.070 11.053 -5.616
37 HE3 LYS 2 2HE LYS 2 14.449 12.125 -5.850
38 HZ1 LYS 2 3HZ LYS 2 14.429 9.769 -7.530
39 HZ2 LYS 2 1HZ LYS 2 14.784 11.376 -7.921
40 HZ3 LYS 2 2HZ LYS 2 13.175 10.863 -7.831
41 H GLU 3 H GLU 3 17.974 9.298 -4.480
42 HA GLU 3 HA GLU 3 20.198 8.181 -2.908
43 HB2 GLU 3 1HB GLU 3 21.321 7.461 -4.885
44 HB3 GLU 3 2HB GLU 3 19.681 6.833 -4.964
45 HG2 GLU 3 1HG GLU 3 19.287 9.083 -6.305
46 HG3 GLU 3 2HG GLU 3 21.010 8.893 -6.626
47 H ILE 4 H ILE 4 22.124 9.356 -2.911
48 HA ILE 4 HA ILE 4 21.827 12.144 -3.796
49 HB ILE 4 HB ILE 4 22.201 11.796 -1.377
50 HG12 ILE 4 1HG1 ILE 4 23.173 13.748 -2.873
51 HG13 ILE 4 2HG1 ILE 4 23.572 13.635 -1.162
52 HG21 ILE 4 1HG2 ILE 4 23.525 9.797 -1.400
53 HG22 ILE 4 2HG2 ILE 4 24.809 10.602 -2.300
54 HG23 ILE 4 3HG2 ILE 4 24.466 11.077 -0.636
55 HD11 ILE 4 3HD1 ILE 4 25.728 13.008 -1.567
56 HD12 ILE 4 1HD1 ILE 4 25.345 12.292 -3.133
57 HD13 ILE 4 2HD1 ILE 4 25.424 14.046 -2.960
58 H ILE 5 H ILE 5 23.286 13.087 -5.135
59 HA ILE 5 HA ILE 5 25.634 11.517 -5.947
60 HB ILE 5 HB ILE 5 24.028 13.068 -7.958
61 HG12 ILE 5 1HG1 ILE 5 23.735 10.147 -7.229
62 HG13 ILE 5 2HG1 ILE 5 22.513 11.399 -7.035
63 HG21 ILE 5 1HG2 ILE 5 25.539 10.687 -8.749
64 HG22 ILE 5 2HG2 ILE 5 25.489 12.294 -9.473
65 HG23 ILE 5 3HG2 ILE 5 26.524 11.987 -8.078
66 HD11 ILE 5 3HD1 ILE 5 23.084 9.756 -9.302
67 HD12 ILE 5 1HD1 ILE 5 21.745 10.873 -9.036
68 HD13 ILE 5 2HD1 ILE 5 23.257 11.457 -9.733
69 H LEU 6 H LEU 6 27.433 12.659 -5.731
70 HA LEU 6 HA LEU 6 27.249 15.591 -5.680
71 HB2 LEU 6 1HB LEU 6 29.625 15.295 -4.682
72 HB3 LEU 6 2HB LEU 6 28.207 14.985 -3.682
73 HG LEU 6 HG LEU 6 29.228 12.611 -5.056
74 HD11 LEU 6 1HD1 LEU 6 30.964 14.148 -3.148
75 HD12 LEU 6 2HD1 LEU 6 31.383 13.488 -4.729
76 HD13 LEU 6 3HD1 LEU 6 31.109 12.404 -3.366
77 HD21 LEU 6 3HD2 LEU 6 28.130 11.679 -3.369
78 HD22 LEU 6 1HD2 LEU 6 27.722 13.289 -2.776
79 HD23 LEU 6 2HD2 LEU 6 29.180 12.480 -2.199
80 H TYR 7 H TYR 7 28.147 16.768 -7.243
81 HA TYR 7 HA TYR 7 29.858 15.389 -9.197
82 HB2 TYR 7 1HB TYR 7 28.124 17.849 -9.476
83 HB3 TYR 7 2HB TYR 7 29.212 17.265 -10.731
84 HD1 TYR 7 HD1 TYR 7 28.716 15.209 -11.951
85 HD2 TYR 7 HD2 TYR 7 26.056 16.696 -8.981
86 HE1 TYR 7 HE1 TYR 7 26.952 13.717 -12.793
87 HE2 TYR 7 HE2 TYR 7 24.285 15.207 -9.815
88 HH TYR 7 HH TYR 7 23.675 13.813 -11.462
89 H THR 8 H THR 8 31.938 15.714 -8.742
90 HA THR 8 HA THR 8 33.131 18.248 -8.959
91 HB THR 8 HB THR 8 34.010 17.777 -6.355
92 HG1 THR 8 HG1 THR 8 32.095 16.467 -6.081
93 HG21 THR 8 3HG2 THR 8 31.856 19.764 -6.995
94 HG22 THR 8 1HG2 THR 8 33.467 19.927 -7.691
95 HG23 THR 8 2HG2 THR 8 33.258 19.944 -5.940
96 H ARG 9 H ARG 9 35.503 18.085 -7.899
97 HA ARG 9 HA ARG 9 36.639 15.693 -9.087
98 HB2 ARG 9 1HB ARG 9 38.821 16.861 -8.613
99 HB3 ARG 9 2HB ARG 9 37.728 17.725 -9.686
100 HG2 ARG 9 1HG ARG 9 37.405 18.412 -6.864
101 HG3 ARG 9 2HG ARG 9 38.995 18.796 -7.527
102 HD2 ARG 9 1HD ARG 9 36.544 19.536 -9.061
103 HD3 ARG 9 2HD ARG 9 37.033 20.522 -7.684
104 HE ARG 9 HE ARG 9 38.251 20.458 -10.255
105 HH11 ARG 9 1HH1 ARG 9 38.921 20.868 -6.863
106 HH12 ARG 9 2HH1 ARG 9 40.335 21.834 -7.125
107 HH21 ARG 9 1HH2 ARG 9 40.111 21.730 -10.613
108 HH22 ARG 9 2HH2 ARG 9 41.010 22.325 -9.259
109 HA PRO 10 HA PRO 10 37.491 13.494 -5.387
110 HB2 PRO 10 1HB PRO 10 39.887 12.356 -5.965
111 HB3 PRO 10 2HB PRO 10 38.372 11.833 -6.709
112 HG2 PRO 10 1HG PRO 10 40.491 13.644 -7.800
113 HG3 PRO 10 2HG PRO 10 39.603 12.343 -8.614
114 HD2 PRO 10 1HD PRO 10 38.964 14.956 -8.922
115 HD3 PRO 10 2HD PRO 10 37.749 13.663 -8.976
116 H ASN 11 H ASN 11 39.123 13.192 -3.638
117 HA ASN 11 HA ASN 11 40.562 13.995 -2.068
118 HB2 ASN 11 1HB ASN 11 41.721 15.878 -4.108
119 HB3 ASN 11 2HB ASN 11 42.522 15.105 -2.744
120 HD21 ASN 11 2HD2 ASN 11 42.842 15.170 -5.800
121 HD22 ASN 11 1HD2 ASN 11 43.089 13.509 -6.205
122 H CYS 12 H CYS 12 38.058 15.526 -3.194
123 HA CYS 12 HA CYS 12 38.378 18.245 -2.576
124 HB2 CYS 12 1HB CYS 12 35.839 18.151 -2.236
125 HB3 CYS 12 2HB CYS 12 36.456 17.675 -3.816
126 HA PRO 13 HA PRO 13 38.866 17.703 1.850
127 HB2 PRO 13 1HB PRO 13 39.450 20.309 2.342
128 HB3 PRO 13 2HB PRO 13 40.634 19.164 1.699
129 HG2 PRO 13 1HG PRO 13 38.993 21.205 0.249
130 HG3 PRO 13 2HG PRO 13 40.705 20.793 0.042
131 HD2 PRO 13 1HD PRO 13 38.775 19.878 -1.622
132 HD3 PRO 13 2HD PRO 13 40.233 18.939 -1.244
133 H TYR 14 H TYR 14 37.061 20.388 0.373
134 HA TYR 14 HA TYR 14 35.502 20.944 2.681
135 HB2 TYR 14 1HB TYR 14 34.087 22.262 1.105
136 HB3 TYR 14 2HB TYR 14 35.800 22.655 1.007
137 HD1 TYR 14 HD2 TYR 14 32.958 21.131 -0.725
138 HD2 TYR 14 HD1 TYR 14 37.099 22.080 -0.965
139 HE1 TYR 14 HE2 TYR 14 32.908 20.708 -3.147
140 HE2 TYR 14 HE1 TYR 14 37.060 21.661 -3.388
141 HH TYR 14 HH TYR 14 35.594 21.495 -5.205
142 H CYS 15 H CYS 15 34.927 19.042 -0.250
143 HA CYS 15 HA CYS 15 32.250 18.394 0.191
144 HB2 CYS 15 1HB CYS 15 32.469 16.932 -1.561
145 HB3 CYS 15 2HB CYS 15 33.919 17.897 -1.816
146 H LYS 16 H LYS 16 35.106 17.290 1.766
147 HA LYS 16 HA LYS 16 34.472 14.780 2.673
148 HB2 LYS 16 1HB LYS 16 35.823 17.024 4.182
149 HB3 LYS 16 2HB LYS 16 35.816 15.344 4.703
150 HG2 LYS 16 1HG LYS 16 36.902 14.782 2.497
151 HG3 LYS 16 2HG LYS 16 37.118 16.518 2.264
152 HD2 LYS 16 1HD LYS 16 38.618 16.696 4.026
153 HD3 LYS 16 2HD LYS 16 38.051 15.208 4.789
154 HE2 LYS 16 1HE LYS 16 38.968 14.022 2.711
155 HE3 LYS 16 2HE LYS 16 39.815 15.533 2.380
156 HZ1 LYS 16 3HZ LYS 16 40.490 15.173 4.910
157 HZ2 LYS 16 1HZ LYS 16 41.389 14.534 3.627
158 HZ3 LYS 16 2HZ LYS 16 40.292 13.554 4.461
159 H ARG 17 H ARG 17 33.167 17.855 3.719
160 HA ARG 17 HA ARG 17 31.919 16.960 6.088
161 HB2 ARG 17 1HB ARG 17 31.192 19.254 4.257
162 HB3 ARG 17 2HB ARG 17 30.533 19.006 5.868
163 HG2 ARG 17 1HG ARG 17 32.406 19.735 6.897
164 HG3 ARG 17 2HG ARG 17 33.475 19.082 5.654
165 HD2 ARG 17 1HD ARG 17 33.102 20.915 4.224
166 HD3 ARG 17 2HD ARG 17 31.699 21.450 5.148
167 HE ARG 17 HE ARG 17 33.976 21.511 6.796
168 HH11 ARG 17 1HH1 ARG 17 32.584 23.160 4.064
169 HH12 ARG 17 2HH1 ARG 17 33.347 24.674 4.424
170 HH21 ARG 17 1HH2 ARG 17 34.986 23.499 7.280
171 HH22 ARG 17 2HH2 ARG 17 34.713 24.865 6.252
172 H ALA 18 H ALA 18 30.632 17.446 2.803
173 HA ALA 18 HA ALA 18 28.025 16.583 3.298
174 HB1 ALA 18 1HB ALA 18 29.516 16.212 0.707
175 HB2 ALA 18 2HB ALA 18 27.775 16.381 0.936
176 HB3 ALA 18 3HB ALA 18 28.841 17.752 1.241
177 H ARG 19 H ARG 19 30.759 14.722 1.958
178 HA ARG 19 HA ARG 19 29.437 12.258 1.829
179 HB2 ARG 19 1HB ARG 19 31.598 11.267 1.545
180 HB3 ARG 19 2HB ARG 19 31.617 12.825 0.731
181 HG2 ARG 19 1HG ARG 19 32.790 13.806 2.641
182 HG3 ARG 19 2HG ARG 19 32.780 12.235 3.445
183 HD2 ARG 19 1HD ARG 19 34.909 12.887 2.216
184 HD3 ARG 19 2HD ARG 19 34.238 11.296 1.861
185 HE ARG 19 HE ARG 19 33.380 13.380 0.064
186 HH11 ARG 19 1HH1 ARG 19 35.774 10.941 0.725
187 HH12 ARG 19 2HH1 ARG 19 36.272 10.796 -0.928
188 HH21 ARG 19 1HH2 ARG 19 34.027 13.199 -2.116
189 HH22 ARG 19 2HH2 ARG 19 35.279 12.082 -2.543
190 H ASP 20 H ASP 20 31.135 13.848 4.456
191 HA ASP 20 HA ASP 20 31.336 11.649 6.200
192 HB2 ASP 20 1HB ASP 20 31.448 14.610 6.491
193 HB3 ASP 20 2HB ASP 20 31.204 13.657 7.952
194 H LEU 21 H LEU 21 28.862 14.191 5.940
195 HA LEU 21 HA LEU 21 27.219 13.265 8.020
196 HB2 LEU 21 1HB LEU 21 27.090 15.502 6.939
197 HB3 LEU 21 2HB LEU 21 26.362 14.732 5.530
198 HG LEU 21 HG LEU 21 24.904 14.077 7.935
199 HD11 LEU 21 1HD1 LEU 21 24.198 16.154 8.686
200 HD12 LEU 21 2HD1 LEU 21 24.807 16.990 7.258
201 HD13 LEU 21 3HD1 LEU 21 25.934 16.382 8.471
202 HD21 LEU 21 3HD2 LEU 21 23.148 15.370 6.454
203 HD22 LEU 21 1HD2 LEU 21 23.712 13.758 6.011
204 HD23 LEU 21 2HD2 LEU 21 24.393 15.179 5.219
205 H LEU 22 H LEU 22 27.141 12.620 4.530
206 HA LEU 22 HA LEU 22 24.838 11.053 4.459
207 HB2 LEU 22 1HB LEU 22 27.293 11.227 2.773
208 HB3 LEU 22 2HB LEU 22 26.140 9.926 2.482
209 HG LEU 22 HG LEU 22 24.586 11.318 1.581
210 HD11 LEU 22 1HD1 LEU 22 24.154 12.652 3.513
211 HD12 LEU 22 2HD1 LEU 22 24.410 13.740 2.149
212 HD13 LEU 22 3HD1 LEU 22 25.690 13.501 3.338
213 HD21 LEU 22 3HD2 LEU 22 27.273 12.545 1.144
214 HD22 LEU 22 1HD2 LEU 22 25.839 13.313 0.464
215 HD23 LEU 22 2HD2 LEU 22 26.246 11.656 0.019
216 H ASP 23 H ASP 23 28.219 9.917 4.588
217 HA ASP 23 HA ASP 23 27.620 7.212 4.979
218 HB2 ASP 23 1HB ASP 23 29.865 8.262 4.362
219 HB3 ASP 23 2HB ASP 23 30.072 8.577 6.083
220 H LYS 24 H LYS 24 27.833 9.881 7.226
221 HA LYS 24 HA LYS 24 27.943 8.349 9.608
222 HB2 LYS 24 1HB LYS 24 27.352 11.184 8.914
223 HB3 LYS 24 2HB LYS 24 26.842 10.608 10.496
224 HG2 LYS 24 1HG LYS 24 29.651 10.264 9.498
225 HG3 LYS 24 2HG LYS 24 29.116 11.717 10.347
226 HD2 LYS 24 1HD LYS 24 28.439 10.339 12.260
227 HD3 LYS 24 2HD LYS 24 28.988 8.893 11.410
228 HE2 LYS 24 1HE LYS 24 31.265 9.946 11.302
229 HE3 LYS 24 2HE LYS 24 30.658 11.211 12.368
230 HZ1 LYS 24 3HZ LYS 24 30.441 8.366 13.120
231 HZ2 LYS 24 1HZ LYS 24 30.416 9.731 14.118
232 HZ3 LYS 24 2HZ LYS 24 31.866 9.230 13.406
233 H LYS 25 H LYS 25 25.303 9.586 7.639
234 HA LYS 25 HA LYS 25 23.253 8.852 9.506
235 HB2 LYS 25 1HB LYS 25 23.417 10.162 6.908
236 HB3 LYS 25 2HB LYS 25 22.046 9.065 7.014
237 HG2 LYS 25 1HG LYS 25 21.184 11.097 7.726
238 HG3 LYS 25 2HG LYS 25 21.527 10.244 9.233
239 HD2 LYS 25 1HD LYS 25 23.491 11.512 9.611
240 HD3 LYS 25 2HD LYS 25 23.475 12.159 7.969
241 HE2 LYS 25 1HE LYS 25 21.780 13.647 8.429
242 HE3 LYS 25 2HE LYS 25 21.145 12.676 9.757
243 HZ1 LYS 25 3HZ LYS 25 22.824 13.411 11.184
244 HZ2 LYS 25 1HZ LYS 25 22.347 14.807 10.356
245 HZ3 LYS 25 2HZ LYS 25 23.777 14.015 9.923
246 H GLY 26 H GLY 26 24.834 7.340 6.771
247 HA2 GLY 26 1HA GLY 26 24.961 4.944 6.644
248 HA3 GLY 26 2HA GLY 26 23.378 4.860 7.402
249 H VAL 27 H VAL 27 24.765 6.457 4.527
250 HA VAL 27 HA VAL 27 22.700 5.146 2.902
251 HB VAL 27 HB VAL 27 22.634 7.371 1.575
252 HG11 VAL 27 1HG1 VAL 27 20.677 6.549 2.637
253 HG12 VAL 27 2HG1 VAL 27 21.292 6.962 4.239
254 HG13 VAL 27 3HG1 VAL 27 20.839 8.240 3.110
255 HG21 VAL 27 3HG2 VAL 27 24.505 8.183 3.322
256 HG22 VAL 27 1HG2 VAL 27 23.395 9.286 2.509
257 HG23 VAL 27 2HG2 VAL 27 23.057 8.749 4.154
258 H LYS 28 H LYS 28 23.179 5.496 0.500
259 HA LYS 28 HA LYS 28 26.073 5.155 0.086
260 HB2 LYS 28 1HB LYS 28 23.669 3.889 -1.137
261 HB3 LYS 28 2HB LYS 28 25.087 4.109 -2.154
262 HG2 LYS 28 1HG LYS 28 25.468 2.012 -1.334
263 HG3 LYS 28 2HG LYS 28 26.329 2.988 -0.141
264 HD2 LYS 28 1HD LYS 28 24.675 2.701 1.469
265 HD3 LYS 28 2HD LYS 28 23.451 2.268 0.274
266 HE2 LYS 28 1HE LYS 28 25.849 0.578 0.971
267 HE3 LYS 28 2HE LYS 28 24.233 0.347 1.636
268 HZ1 LYS 28 3HZ LYS 28 25.213 -0.165 -1.081
269 HZ2 LYS 28 1HZ LYS 28 23.588 0.258 -0.873
270 HZ3 LYS 28 2HZ LYS 28 24.211 -1.114 -0.103
271 H TYR 29 H TYR 29 26.913 7.033 -0.578
272 HA TYR 29 HA TYR 29 25.400 8.717 -2.430
273 HB2 TYR 29 1HB TYR 29 26.940 10.474 -1.882
274 HB3 TYR 29 2HB TYR 29 26.454 9.703 -0.376
275 HD1 TYR 29 HD1 TYR 29 29.201 10.081 -2.805
276 HD2 TYR 29 HD2 TYR 29 28.045 8.558 0.996
277 HE1 TYR 29 HE1 TYR 29 31.567 9.719 -2.237
278 HE2 TYR 29 HE2 TYR 29 30.408 8.193 1.575
279 HH TYR 29 HH TYR 29 32.935 9.555 -0.067
280 H THR 30 H THR 30 26.185 9.349 -4.432
281 HA THR 30 HA THR 30 28.286 7.608 -5.526
282 HB THR 30 HB THR 30 26.088 9.124 -6.947
283 HG1 THR 30 HG1 THR 30 25.188 7.113 -7.223
284 HG21 THR 30 3HG2 THR 30 28.082 9.032 -8.337
285 HG22 THR 30 1HG2 THR 30 26.856 7.933 -8.965
286 HG23 THR 30 2HG2 THR 30 28.225 7.298 -8.053
287 H ASP 31 H ASP 31 30.207 8.485 -5.876
288 HA ASP 31 HA ASP 31 30.492 11.380 -5.953
289 HB2 ASP 31 1HB ASP 31 32.917 10.917 -5.827
290 HB3 ASP 31 2HB ASP 31 32.024 10.133 -4.526
291 H ILE 32 H ILE 32 30.249 12.352 -7.851
292 HA ILE 32 HA ILE 32 30.978 10.944 -10.308
293 HB ILE 32 HB ILE 32 29.579 13.602 -10.004
294 HG12 ILE 32 1HG1 ILE 32 28.314 11.679 -9.035
295 HG13 ILE 32 2HG1 ILE 32 27.509 12.426 -10.410
296 HG21 ILE 32 1HG2 ILE 32 28.841 12.656 -12.414
297 HG22 ILE 32 2HG2 ILE 32 30.217 13.730 -12.162
298 HG23 ILE 32 3HG2 ILE 32 30.471 11.990 -12.302
299 HD11 ILE 32 3HD1 ILE 32 27.766 10.601 -11.727
300 HD12 ILE 32 1HD1 ILE 32 29.272 10.112 -10.951
301 HD13 ILE 32 2HD1 ILE 32 27.729 9.807 -10.152
302 H ASP 33 H ASP 33 32.869 11.289 -11.247
303 HA ASP 33 HA ASP 33 34.819 13.039 -10.318
304 HB2 ASP 33 1HB ASP 33 34.470 11.661 -12.977
305 HB3 ASP 33 2HB ASP 33 35.882 12.648 -12.612
306 H ALA 34 H ALA 34 35.527 15.055 -10.920
307 HA ALA 34 HA ALA 34 33.625 16.920 -11.794
308 HB1 ALA 34 1HB ALA 34 35.888 18.287 -12.183
309 HB2 ALA 34 2HB ALA 34 35.212 17.987 -10.582
310 HB3 ALA 34 3HB ALA 34 36.519 16.972 -11.191
311 H SER 35 H SER 35 35.641 14.802 -13.558
312 HA SER 35 HA SER 35 36.203 16.152 -15.891
313 HB2 SER 35 1HB SER 35 36.978 13.865 -15.439
314 HB3 SER 35 2HB SER 35 35.330 13.264 -15.622
315 HG SER 35 HG SER 35 37.015 14.393 -17.595
316 H THR 36 H THR 36 34.829 17.420 -16.961
317 HA THR 36 HA THR 36 32.063 17.270 -16.996
318 HB THR 36 HB THR 36 32.130 18.701 -19.000
319 HG1 THR 36 HG1 THR 36 34.801 17.806 -19.035
320 HG21 THR 36 3HG2 THR 36 33.962 19.281 -16.701
321 HG22 THR 36 1HG2 THR 36 32.376 19.961 -17.060
322 HG23 THR 36 2HG2 THR 36 33.779 20.444 -18.013
323 H SER 37 H SER 37 34.394 15.463 -18.813
324 HA SER 37 HA SER 37 32.984 14.675 -21.045
325 HB2 SER 37 1HB SER 37 34.996 13.232 -19.333
326 HB3 SER 37 2HB SER 37 34.287 12.459 -20.751
327 HG SER 37 HG SER 37 36.313 13.652 -21.081
328 H LEU 38 H LEU 38 32.584 13.661 -17.728
329 HA LEU 38 HA LEU 38 30.343 11.943 -18.571
330 HB2 LEU 38 1HB LEU 38 32.104 11.609 -16.147
331 HB3 LEU 38 2HB LEU 38 30.738 10.583 -16.582
332 HG LEU 38 HG LEU 38 32.210 10.290 -18.797
333 HD11 LEU 38 1HD1 LEU 38 34.253 11.133 -18.594
334 HD12 LEU 38 2HD1 LEU 38 34.557 9.936 -17.335
335 HD13 LEU 38 3HD1 LEU 38 33.979 11.544 -16.901
336 HD21 LEU 38 3HD2 LEU 38 32.038 8.837 -16.229
337 HD22 LEU 38 1HD2 LEU 38 33.326 8.349 -17.331
338 HD23 LEU 38 2HD2 LEU 38 31.646 8.306 -17.866
339 H ARG 39 H ARG 39 31.521 14.380 -16.370
340 HA ARG 39 HA ARG 39 29.260 14.416 -14.647
341 HB2 ARG 39 1HB ARG 39 31.384 15.343 -13.923
342 HB3 ARG 39 2HB ARG 39 31.345 16.526 -15.223
343 HG2 ARG 39 1HG ARG 39 29.034 16.539 -13.394
344 HG3 ARG 39 2HG ARG 39 30.578 17.050 -12.710
345 HD2 ARG 39 1HD ARG 39 29.326 18.168 -15.216
346 HD3 ARG 39 2HD ARG 39 29.272 18.930 -13.626
347 HE ARG 39 HE ARG 39 31.441 18.979 -15.474
348 HH11 ARG 39 1HH1 ARG 39 30.656 18.976 -12.082
349 HH12 ARG 39 2HH1 ARG 39 32.111 19.789 -11.611
350 HH21 ARG 39 1HH2 ARG 39 33.361 20.049 -14.866
351 HH22 ARG 39 2HH2 ARG 39 33.649 20.400 -13.195
352 H GLN 40 H GLN 40 30.205 16.358 -17.464
353 HA GLN 40 HA GLN 40 28.054 18.141 -17.440
354 HB2 GLN 40 1HB GLN 40 30.152 18.277 -18.849
355 HB3 GLN 40 2HB GLN 40 29.414 17.097 -19.924
356 HG2 GLN 40 1HG GLN 40 27.606 18.612 -20.417
357 HG3 GLN 40 2HG GLN 40 28.225 19.778 -19.248
358 HE21 GLN 40 2HE2 GLN 40 28.718 21.451 -20.531
359 HE22 GLN 40 1HE2 GLN 40 29.845 21.392 -21.839
360 H GLU 41 H GLU 41 28.405 15.003 -19.063
361 HA GLU 41 HA GLU 41 25.850 15.052 -20.292
362 HB2 GLU 41 1HB GLU 41 26.225 12.640 -20.671
363 HB3 GLU 41 2HB GLU 41 27.606 13.618 -21.150
364 HG2 GLU 41 1HG GLU 41 28.715 13.048 -19.030
365 HG3 GLU 41 2HG GLU 41 27.348 12.015 -18.616
366 H MET 42 H MET 42 27.060 13.701 -17.258
367 HA MET 42 HA MET 42 24.713 12.338 -16.513
368 HB2 MET 42 1HB MET 42 27.084 13.390 -15.013
369 HB3 MET 42 2HB MET 42 25.709 12.739 -14.132
370 HG2 MET 42 1HG MET 42 26.487 10.956 -16.247
371 HG3 MET 42 2HG MET 42 27.861 11.335 -15.211
372 HE1 MET 42 3HE MET 42 27.800 8.578 -14.773
373 HE2 MET 42 1HE MET 42 28.448 9.664 -13.543
374 HE3 MET 42 2HE MET 42 27.385 8.337 -13.075
375 H VAL 43 H VAL 43 25.912 15.557 -15.566
376 HA VAL 43 HA VAL 43 23.654 16.258 -14.027
377 HB VAL 43 HB VAL 43 25.900 17.392 -13.949
378 HG11 VAL 43 1HG1 VAL 43 26.340 19.195 -15.523
379 HG12 VAL 43 2HG1 VAL 43 26.205 17.652 -16.369
380 HG13 VAL 43 3HG1 VAL 43 24.867 18.801 -16.408
381 HG21 VAL 43 3HG2 VAL 43 23.445 19.114 -14.284
382 HG22 VAL 43 1HG2 VAL 43 24.003 18.344 -12.798
383 HG23 VAL 43 2HG2 VAL 43 24.950 19.639 -13.529
384 H GLN 44 H GLN 44 24.413 16.608 -17.439
385 HA GLN 44 HA GLN 44 22.359 18.390 -18.139
386 HB2 GLN 44 1HB GLN 44 24.126 16.499 -19.574
387 HB3 GLN 44 2HB GLN 44 22.641 16.945 -20.404
388 HG2 GLN 44 1HG GLN 44 23.323 19.366 -19.889
389 HG3 GLN 44 2HG GLN 44 24.918 18.691 -19.559
390 HE21 GLN 44 2HE2 GLN 44 26.042 19.471 -21.245
391 HE22 GLN 44 1HE2 GLN 44 25.689 19.130 -22.901
392 H ARG 45 H ARG 45 22.457 14.833 -18.274
393 HA ARG 45 HA ARG 45 19.680 14.657 -19.000
394 HB2 ARG 45 1HB ARG 45 21.466 13.007 -19.685
395 HB3 ARG 45 2HB ARG 45 21.469 12.431 -18.023
396 HG2 ARG 45 1HG ARG 45 19.331 11.536 -18.197
397 HG3 ARG 45 2HG ARG 45 18.936 12.511 -19.614
398 HD2 ARG 45 1HD ARG 45 21.109 10.438 -19.667
399 HD3 ARG 45 2HD ARG 45 19.423 10.024 -19.975
400 HE ARG 45 HE ARG 45 19.924 12.106 -21.661
401 HH11 ARG 45 1HH1 ARG 45 21.393 9.002 -21.092
402 HH12 ARG 45 2HH1 ARG 45 21.932 8.811 -22.728
403 HH21 ARG 45 1HH2 ARG 45 20.629 11.868 -23.817
404 HH22 ARG 45 2HH2 ARG 45 21.498 10.443 -24.277
405 H ALA 46 H ALA 46 21.381 15.041 -16.102
406 HA ALA 46 HA ALA 46 19.585 13.624 -14.376
407 HB1 ALA 46 1HB ALA 46 21.750 15.647 -13.857
408 HB2 ALA 46 2HB ALA 46 20.779 14.925 -12.574
409 HB3 ALA 46 3HB ALA 46 21.799 13.905 -13.588
410 H ASN 47 H ASN 47 19.997 16.998 -15.364
411 HA ASN 47 HA ASN 47 17.401 17.600 -14.105
412 HB2 ASN 47 1HB ASN 47 18.417 20.046 -14.265
413 HB3 ASN 47 2HB ASN 47 18.777 18.992 -12.901
414 HD21 ASN 47 2HD2 ASN 47 19.977 20.187 -15.974
415 HD22 ASN 47 1HD2 ASN 47 21.651 19.929 -15.634
416 H GLY 48 H GLY 48 19.569 18.446 -16.795
417 HA2 GLY 48 1HA GLY 48 18.088 18.178 -18.953
418 HA3 GLY 48 2HA GLY 48 17.306 19.590 -18.257
419 H ARG 49 H ARG 49 19.232 21.180 -17.401
420 HA ARG 49 HA ARG 49 21.243 21.434 -19.508
421 HB2 ARG 49 1HB ARG 49 19.498 22.785 -20.398
422 HB3 ARG 49 2HB ARG 49 19.162 23.506 -18.830
423 HG2 ARG 49 1HG ARG 49 21.142 24.793 -18.890
424 HG3 ARG 49 2HG ARG 49 21.772 23.885 -20.266
425 HD2 ARG 49 1HD ARG 49 19.291 25.596 -20.332
426 HD3 ARG 49 2HD ARG 49 20.886 26.130 -20.862
427 HE ARG 49 HE ARG 49 20.383 23.821 -22.263
428 HH11 ARG 49 1HH1 ARG 49 18.849 26.925 -21.901
429 HH12 ARG 49 2HH1 ARG 49 18.173 26.923 -23.496
430 HH21 ARG 49 1HH2 ARG 49 19.498 23.806 -24.365
431 HH22 ARG 49 2HH2 ARG 49 18.541 25.147 -24.896
432 H ASN 50 H ASN 50 23.053 21.361 -18.333
433 HA ASN 50 HA ASN 50 23.779 23.482 -16.626
434 HB2 ASN 50 1HB ASN 50 22.186 21.807 -15.255
435 HB3 ASN 50 2HB ASN 50 23.728 20.994 -15.006
436 HD21 ASN 50 2HD2 ASN 50 24.670 21.546 -13.194
437 HD22 ASN 50 1HD2 ASN 50 24.610 23.100 -12.440
438 H THR 51 H THR 51 25.972 23.413 -16.026
439 HA THR 51 HA THR 51 27.549 21.066 -16.658
440 HB THR 51 HB THR 51 27.431 22.068 -18.856
441 HG1 THR 51 HG1 THR 51 29.728 22.535 -19.100
442 HG21 THR 51 3HG2 THR 51 28.678 24.579 -17.773
443 HG22 THR 51 1HG2 THR 51 26.929 24.396 -17.903
444 HG23 THR 51 2HG2 THR 51 27.935 24.308 -19.349
445 H PHE 52 H PHE 52 27.324 21.933 -14.197
446 HA PHE 52 HA PHE 52 29.960 22.989 -13.603
447 HB2 PHE 52 1HB PHE 52 27.414 24.398 -12.817
448 HB3 PHE 52 2HB PHE 52 28.916 24.620 -11.927
449 HD1 PHE 52 HD1 PHE 52 27.163 25.242 -15.075
450 HD2 PHE 52 HD2 PHE 52 30.762 25.838 -12.882
451 HE1 PHE 52 HE1 PHE 52 27.855 26.967 -16.687
452 HE2 PHE 52 HE2 PHE 52 31.460 27.564 -14.491
453 HZ PHE 52 HZ PHE 52 30.006 28.132 -16.395
454 HA PRO 53 HA PRO 53 29.744 20.179 -10.240
455 HB2 PRO 53 1HB PRO 53 31.322 21.412 -8.407
456 HB3 PRO 53 2HB PRO 53 31.963 20.640 -9.862
457 HG2 PRO 53 1HG PRO 53 31.408 23.535 -9.342
458 HG3 PRO 53 2HG PRO 53 32.805 22.790 -10.139
459 HD2 PRO 53 1HD PRO 53 30.776 23.932 -11.522
460 HD3 PRO 53 2HD PRO 53 31.689 22.540 -12.140
461 H GLN 54 H GLN 54 28.587 19.765 -8.402
462 HA GLN 54 HA GLN 54 27.805 21.634 -6.474
463 HB2 GLN 54 1HB GLN 54 25.299 21.612 -7.123
464 HB3 GLN 54 2HB GLN 54 26.372 22.742 -7.938
465 HG2 GLN 54 1HG GLN 54 24.877 21.720 -9.527
466 HG3 GLN 54 2HG GLN 54 26.534 21.205 -9.838
467 HE21 GLN 54 2HE2 GLN 54 24.150 20.089 -7.472
468 HE22 GLN 54 1HE2 GLN 54 24.136 18.445 -8.001
469 H ILE 55 H ILE 55 25.735 20.754 -5.256
470 HA ILE 55 HA ILE 55 26.210 17.882 -4.908
471 HB ILE 55 HB ILE 55 24.825 19.851 -3.083
472 HG12 ILE 55 1HG1 ILE 55 26.925 19.112 -1.661
473 HG13 ILE 55 2HG1 ILE 55 27.606 18.762 -3.246
474 HG21 ILE 55 1HG2 ILE 55 25.253 16.901 -2.936
475 HG22 ILE 55 2HG2 ILE 55 25.220 17.855 -1.454
476 HG23 ILE 55 3HG2 ILE 55 23.823 17.850 -2.530
477 HD11 ILE 55 3HD1 ILE 55 27.617 20.975 -3.875
478 HD12 ILE 55 1HD1 ILE 55 26.362 21.420 -2.719
479 HD13 ILE 55 2HD1 ILE 55 27.998 21.074 -2.156
480 H PHE 56 H PHE 56 24.869 16.620 -6.014
481 HA PHE 56 HA PHE 56 22.128 17.498 -6.518
482 HB2 PHE 56 1HB PHE 56 24.024 16.041 -8.019
483 HB3 PHE 56 2HB PHE 56 22.727 14.915 -7.633
484 HD1 PHE 56 HD2 PHE 56 20.331 15.671 -8.149
485 HD2 PHE 56 HD1 PHE 56 23.795 17.540 -9.769
486 HE1 PHE 56 HE2 PHE 56 18.965 16.625 -9.959
487 HE2 PHE 56 HE1 PHE 56 22.434 18.498 -11.582
488 HZ PHE 56 HZ PHE 56 20.016 18.040 -11.679
489 H ILE 57 H ILE 57 20.348 16.507 -5.706
490 HA ILE 57 HA ILE 57 20.631 14.015 -4.220
491 HB ILE 57 HB ILE 57 19.206 15.104 -2.353
492 HG12 ILE 57 1HG1 ILE 57 19.152 17.277 -3.844
493 HG13 ILE 57 2HG1 ILE 57 19.230 17.398 -2.090
494 HG21 ILE 57 1HG2 ILE 57 22.156 15.544 -2.730
495 HG22 ILE 57 2HG2 ILE 57 21.324 15.908 -1.219
496 HG23 ILE 57 3HG2 ILE 57 21.346 14.256 -1.837
497 HD11 ILE 57 3HD1 ILE 57 20.819 18.788 -3.678
498 HD12 ILE 57 1HD1 ILE 57 21.350 18.197 -2.104
499 HD13 ILE 57 2HD1 ILE 57 21.792 17.321 -3.571
500 H GLY 58 H GLY 58 19.067 12.724 -4.915
501 HA2 GLY 58 1HA GLY 58 17.096 12.025 -5.877
502 HA3 GLY 58 2HA GLY 58 16.364 13.131 -4.725
503 H ASP 59 H ASP 59 18.397 13.806 -7.555
504 HA ASP 59 HA ASP 59 17.975 14.931 -9.494
505 HB2 ASP 59 1HB ASP 59 15.762 13.492 -9.272
506 HB3 ASP 59 2HB ASP 59 15.039 15.068 -8.962
507 H TYR 60 H TYR 60 18.387 16.221 -6.904
508 HA TYR 60 HA TYR 60 17.287 18.858 -7.592
509 HB2 TYR 60 1HB TYR 60 15.988 17.956 -5.710
510 HB3 TYR 60 2HB TYR 60 17.473 17.714 -4.797
511 HD1 TYR 60 HD2 TYR 60 15.280 20.301 -6.286
512 HD2 TYR 60 HD1 TYR 60 18.441 19.478 -3.559
513 HE1 TYR 60 HE2 TYR 60 15.092 22.584 -5.388
514 HE2 TYR 60 HE1 TYR 60 18.261 21.758 -2.653
515 HH TYR 60 HH TYR 60 17.359 23.801 -2.973
516 H HIS 61 H HIS 61 18.983 20.043 -8.165
517 HA HIS 61 HA HIS 61 21.606 19.551 -7.038
518 HB2 HIS 61 1HB HIS 61 22.266 21.439 -8.608
519 HB3 HIS 61 2HB HIS 61 21.613 19.991 -9.370
520 HD1 HIS 61 HD1 HIS 61 19.239 20.178 -10.427
521 HD2 HIS 61 HD2 HIS 61 20.748 23.746 -8.927
522 HE1 HIS 61 HE1 HIS 61 17.763 21.982 -11.371
523 H VAL 62 H VAL 62 22.560 20.691 -5.470
524 HA VAL 62 HA VAL 62 21.077 22.938 -4.316
525 HB VAL 62 HB VAL 62 23.264 21.182 -3.212
526 HG11 VAL 62 1HG1 VAL 62 22.731 22.581 -1.077
527 HG12 VAL 62 2HG1 VAL 62 23.884 23.192 -2.265
528 HG13 VAL 62 3HG1 VAL 62 22.232 23.810 -2.239
529 HG21 VAL 62 3HG2 VAL 62 20.717 21.637 -1.791
530 HG22 VAL 62 1HG2 VAL 62 20.619 20.724 -3.296
531 HG23 VAL 62 2HG2 VAL 62 21.659 20.160 -1.988
532 H GLY 63 H GLY 63 24.561 22.206 -4.444
533 HA2 GLY 63 1HA GLY 63 25.731 23.828 -6.105
534 HA3 GLY 63 2HA GLY 63 25.046 25.042 -5.034
535 H GLY 64 H GLY 64 25.772 25.121 -2.831
536 HA2 GLY 64 1HA GLY 64 28.589 24.442 -2.626
537 HA3 GLY 64 2HA GLY 64 27.669 25.436 -1.506
538 H CYS 65 H CYS 65 29.528 23.311 -0.879
539 HA CYS 65 HA CYS 65 28.099 20.970 -0.124
540 HB2 CYS 65 1HB CYS 65 30.135 20.436 1.192
541 HB3 CYS 65 2HB CYS 65 30.495 20.870 -0.474
542 HG CYS 65 HG CYS 65 31.270 23.510 0.206
543 H ASP 66 H ASP 66 28.893 23.987 1.481
544 HA ASP 66 HA ASP 66 28.066 23.144 4.082
545 HB2 ASP 66 1HB ASP 66 28.420 25.391 4.761
546 HB3 ASP 66 2HB ASP 66 29.654 25.057 3.548
547 H ASP 67 H ASP 67 26.465 24.425 1.291
548 HA ASP 67 HA ASP 67 24.197 25.581 2.370
549 HB2 ASP 67 1HB ASP 67 24.824 25.503 -0.062
550 HB3 ASP 67 2HB ASP 67 24.239 23.842 -0.102
551 H LEU 68 H LEU 68 24.615 22.170 1.419
552 HA LEU 68 HA LEU 68 22.146 21.212 2.208
553 HB2 LEU 68 1HB LEU 68 23.060 19.065 2.130
554 HB3 LEU 68 2HB LEU 68 24.016 20.004 0.986
555 HG LEU 68 HG LEU 68 25.603 20.260 3.098
556 HD11 LEU 68 1HD1 LEU 68 24.653 19.105 4.804
557 HD12 LEU 68 2HD1 LEU 68 25.536 17.778 4.050
558 HD13 LEU 68 3HD1 LEU 68 23.814 17.985 3.730
559 HD21 LEU 68 3HD2 LEU 68 26.348 17.760 2.200
560 HD22 LEU 68 1HD2 LEU 68 26.814 19.305 1.489
561 HD23 LEU 68 2HD2 LEU 68 25.424 18.425 0.852
562 H TYR 69 H TYR 69 25.029 21.795 4.147
563 HA TYR 69 HA TYR 69 24.054 20.584 6.522
564 HB2 TYR 69 1HB TYR 69 26.435 21.913 5.673
565 HB3 TYR 69 2HB TYR 69 25.894 22.654 7.175
566 HD1 TYR 69 HD2 TYR 69 26.799 19.413 5.617
567 HD2 TYR 69 HD1 TYR 69 26.198 21.561 9.240
568 HE1 TYR 69 HE2 TYR 69 27.766 17.538 6.881
569 HE2 TYR 69 HE1 TYR 69 27.164 19.692 10.515
570 HH TYR 69 HH TYR 69 27.855 17.558 10.416
571 H ALA 70 H ALA 70 24.306 23.996 5.526
572 HA ALA 70 HA ALA 70 23.134 25.163 7.750
573 HB1 ALA 70 1HB ALA 70 24.111 26.079 5.372
574 HB2 ALA 70 2HB ALA 70 22.390 26.437 5.224
575 HB3 ALA 70 3HB ALA 70 23.309 27.071 6.590
576 H LEU 71 H LEU 71 21.559 24.033 4.766
577 HA LEU 71 HA LEU 71 18.941 24.751 5.475
578 HB2 LEU 71 1HB LEU 71 19.941 22.548 3.678
579 HB3 LEU 71 2HB LEU 71 18.256 23.055 3.789
580 HG LEU 71 HG LEU 71 20.521 24.828 2.878
581 HD11 LEU 71 1HD1 LEU 71 18.706 22.980 1.417
582 HD12 LEU 71 2HD1 LEU 71 20.397 23.380 1.116
583 HD13 LEU 71 3HD1 LEU 71 19.128 24.520 0.668
584 HD21 LEU 71 3HD2 LEU 71 17.979 25.666 1.967
585 HD22 LEU 71 1HD2 LEU 71 19.064 26.486 3.090
586 HD23 LEU 71 2HD2 LEU 71 17.846 25.365 3.701
587 H GLU 72 H GLU 72 20.664 21.660 5.837
588 HA GLU 72 HA GLU 72 18.600 20.176 6.962
589 HB2 GLU 72 1HB GLU 72 20.635 19.103 6.247
590 HB3 GLU 72 2HB GLU 72 21.582 20.015 7.415
591 HG2 GLU 72 1HG GLU 72 20.318 18.874 9.230
592 HG3 GLU 72 2HG GLU 72 19.556 17.871 7.997
593 H ASN 73 H ASN 73 20.815 22.468 8.440
594 HA ASN 73 HA ASN 73 19.871 21.887 11.115
595 HB2 ASN 73 1HB ASN 73 22.253 22.577 10.525
596 HB3 ASN 73 2HB ASN 73 21.618 24.202 10.281
597 HD21 ASN 73 2HD2 ASN 73 22.434 21.758 12.575
598 HD22 ASN 73 1HD2 ASN 73 22.226 22.721 13.994
599 H LYS 74 H LYS 74 19.038 23.961 8.525
600 HA LYS 74 HA LYS 74 17.759 25.975 10.148
601 HB2 LYS 74 1HB LYS 74 18.475 25.648 7.377
602 HB3 LYS 74 2HB LYS 74 16.789 26.131 7.507
603 HG2 LYS 74 1HG LYS 74 17.348 28.219 7.998
604 HG3 LYS 74 2HG LYS 74 18.447 27.692 9.275
605 HD2 LYS 74 1HD LYS 74 19.987 28.633 7.901
606 HD3 LYS 74 2HD LYS 74 19.925 27.041 7.141
607 HE2 LYS 74 1HE LYS 74 18.339 29.461 6.287
608 HE3 LYS 74 2HE LYS 74 19.792 28.856 5.494
609 HZ1 LYS 74 3HZ LYS 74 18.120 27.930 4.240
610 HZ2 LYS 74 1HZ LYS 74 17.095 27.683 5.563
611 HZ3 LYS 74 2HZ LYS 74 18.436 26.679 5.334
612 H GLY 75 H GLY 75 16.911 22.939 8.766
613 HA2 GLY 75 1HA GLY 75 14.810 22.104 9.971
614 HA3 GLY 75 2HA GLY 75 14.047 23.487 9.202
615 H LYS 76 H LYS 76 16.287 22.518 7.051
616 HA LYS 76 HA LYS 76 14.300 21.103 5.465
617 HB2 LYS 76 1HB LYS 76 16.591 22.781 4.924
618 HB3 LYS 76 2HB LYS 76 16.694 21.282 4.011
619 HG2 LYS 76 1HG LYS 76 15.588 22.937 2.680
620 HG3 LYS 76 2HG LYS 76 14.417 21.700 3.143
621 HD2 LYS 76 1HD LYS 76 13.264 23.113 4.521
622 HD3 LYS 76 2HD LYS 76 14.691 24.079 4.903
623 HE2 LYS 76 1HE LYS 76 14.608 25.097 2.692
624 HE3 LYS 76 2HE LYS 76 13.217 24.100 2.270
625 HZ1 LYS 76 3HZ LYS 76 11.851 25.254 3.733
626 HZ2 LYS 76 1HZ LYS 76 12.793 26.477 3.041
627 HZ3 LYS 76 2HZ LYS 76 13.146 25.917 4.597
628 H LEU 77 H LEU 77 16.077 20.030 7.800
629 HA LEU 77 HA LEU 77 17.803 18.075 6.817
630 HB2 LEU 77 1HB LEU 77 17.984 18.439 9.087
631 HB3 LEU 77 2HB LEU 77 16.239 18.404 9.336
632 HG LEU 77 HG LEU 77 17.392 15.846 8.477
633 HD11 LEU 77 1HD1 LEU 77 18.410 15.310 10.593
634 HD12 LEU 77 2HD1 LEU 77 18.052 16.921 11.214
635 HD13 LEU 77 3HD1 LEU 77 19.211 16.720 9.901
636 HD21 LEU 77 3HD2 LEU 77 15.973 15.853 10.972
637 HD22 LEU 77 1HD2 LEU 77 15.518 15.133 9.428
638 HD23 LEU 77 2HD2 LEU 77 15.102 16.812 9.774
639 H ASP 78 H ASP 78 14.323 17.956 7.420
640 HA ASP 78 HA ASP 78 13.856 15.252 7.056
641 HB2 ASP 78 1HB ASP 78 12.232 17.210 7.653
642 HB3 ASP 78 2HB ASP 78 11.965 17.282 5.913
643 H SER 79 H SER 79 13.990 17.815 4.600
644 HA SER 79 HA SER 79 13.460 16.109 2.402
645 HB2 SER 79 1HB SER 79 13.101 18.492 2.189
646 HB3 SER 79 2HB SER 79 14.799 18.820 2.533
647 HG SER 79 HG SER 79 13.597 18.060 0.190
648 H LEU 80 H LEU 80 16.490 17.482 3.665
649 HA LEU 80 HA LEU 80 18.250 16.369 1.835
650 HB2 LEU 80 1HB LEU 80 18.446 17.332 4.627
651 HB3 LEU 80 2HB LEU 80 19.768 16.326 4.038
652 HG LEU 80 HG LEU 80 20.179 18.772 3.850
653 HD11 LEU 80 1HD1 LEU 80 20.584 18.548 1.218
654 HD12 LEU 80 2HD1 LEU 80 20.286 16.854 1.604
655 HD13 LEU 80 3HD1 LEU 80 21.583 17.728 2.418
656 HD21 LEU 80 3HD2 LEU 80 18.840 20.184 2.719
657 HD22 LEU 80 1HD2 LEU 80 17.610 18.959 3.032
658 HD23 LEU 80 2HD2 LEU 80 18.448 18.991 1.480
659 H LEU 81 H LEU 81 17.250 15.034 4.985
660 HA LEU 81 HA LEU 81 18.670 12.625 4.775
661 HB2 LEU 81 1HB LEU 81 16.692 13.786 6.519
662 HB3 LEU 81 2HB LEU 81 16.357 12.078 6.248
663 HG LEU 81 HG LEU 81 18.959 11.905 6.835
664 HD11 LEU 81 1HD1 LEU 81 18.494 14.580 7.324
665 HD12 LEU 81 2HD1 LEU 81 19.844 13.625 7.937
666 HD13 LEU 81 3HD1 LEU 81 18.398 13.842 8.923
667 HD21 LEU 81 3HD2 LEU 81 17.253 10.643 7.950
668 HD22 LEU 81 1HD2 LEU 81 16.659 12.084 8.775
669 HD23 LEU 81 2HD2 LEU 81 18.249 11.433 9.173
670 H GLN 82 H GLN 82 15.339 13.444 3.878
671 HA GLN 82 HA GLN 82 14.507 10.891 3.104
672 HB2 GLN 82 1HB GLN 82 12.883 12.630 3.373
673 HB3 GLN 82 2HB GLN 82 13.661 13.627 2.152
674 HG2 GLN 82 1HG GLN 82 12.680 10.948 1.342
675 HG3 GLN 82 2HG GLN 82 11.492 12.216 1.639
676 HE21 GLN 82 2HE2 GLN 82 12.525 14.433 0.683
677 HE22 GLN 82 1HE2 GLN 82 12.898 14.304 -0.999
678 H ASP 83 H ASP 83 16.425 13.288 1.440
679 HA ASP 83 HA ASP 83 16.250 12.033 -1.133
680 HB2 ASP 83 1HB ASP 83 18.229 14.076 -0.097
681 HB3 ASP 83 2HB ASP 83 18.012 13.620 -1.785
682 H VAL 84 H VAL 84 18.975 12.442 1.139
683 HA VAL 84 HA VAL 84 20.768 10.740 -0.105
684 HB VAL 84 HB VAL 84 21.877 10.503 2.079
685 HG11 VAL 84 1HG1 VAL 84 22.587 12.448 1.113
686 HG12 VAL 84 2HG1 VAL 84 20.967 13.145 1.061
687 HG13 VAL 84 3HG1 VAL 84 21.858 13.095 2.583
688 HG21 VAL 84 3HG2 VAL 84 20.858 11.724 4.028
689 HG22 VAL 84 1HG2 VAL 84 19.356 11.790 3.106
690 HG23 VAL 84 2HG2 VAL 84 20.040 10.231 3.567
691 H HIS 85 H HIS 85 18.107 9.987 2.053
692 HA HIS 85 HA HIS 85 18.705 7.392 2.784
693 HB2 HIS 85 1HB HIS 85 16.737 8.741 3.561
694 HB3 HIS 85 2HB HIS 85 15.952 8.384 2.025
695 HD1 HIS 85 HD1 HIS 85 14.054 7.118 3.264
696 HD2 HIS 85 HD2 HIS 85 17.836 5.480 3.790
697 HE1 HIS 85 HE1 HIS 85 13.669 4.840 4.257
Start of MODEL 13
1 H1 GLY -3 H GLY -3 10.074 -5.851 3.173
2 HA2 GLY -3 1HA GLY -3 11.491 -6.422 0.796
3 HA3 GLY -3 2HA GLY -3 9.865 -5.895 0.390
4 HA PRO -2 HA PRO -2 11.929 -2.167 2.679
5 HB2 PRO -2 1HB PRO -2 14.581 -2.386 3.217
6 HB3 PRO -2 2HB PRO -2 13.326 -2.900 4.350
7 HG2 PRO -2 1HG PRO -2 14.951 -4.545 2.449
8 HG3 PRO -2 2HG PRO -2 14.515 -4.886 4.134
9 HD2 PRO -2 1HD PRO -2 13.216 -6.005 2.037
10 HD3 PRO -2 2HD PRO -2 12.405 -5.624 3.570
11 H GLY -1 H GLY -1 13.860 -0.591 2.080
12 HA2 GLY -1 1HA GLY -1 15.525 -0.683 -0.004
13 HA3 GLY -1 2HA GLY -1 13.974 -0.615 -0.828
14 H SER 0 H SER 0 16.373 1.276 -0.432
15 HA SER 0 HA SER 0 15.508 3.524 1.012
16 HB2 SER 0 1HB SER 0 17.424 3.267 -1.312
17 HB3 SER 0 2HB SER 0 17.171 4.770 -0.426
18 HG SER 0 HG SER 0 18.956 3.295 0.259
19 H MET 1 H MET 1 15.036 5.684 -0.010
20 HA MET 1 HA MET 1 12.881 5.330 -1.954
21 HB2 MET 1 1HB MET 1 12.322 6.509 0.110
22 HB3 MET 1 2HB MET 1 13.593 7.685 -0.197
23 HG2 MET 1 1HG MET 1 12.434 8.523 -2.120
24 HG3 MET 1 2HG MET 1 11.222 7.250 -1.994
25 HE1 MET 1 3HE MET 1 9.073 7.467 -0.765
26 HE2 MET 1 1HE MET 1 10.019 6.977 0.641
27 HE3 MET 1 2HE MET 1 8.890 8.325 0.766
28 H LYS 2 H LYS 2 15.083 8.062 -1.384
29 HA LYS 2 HA LYS 2 15.437 8.275 -4.293
30 HB2 LYS 2 1HB LYS 2 15.309 10.230 -2.074
31 HB3 LYS 2 2HB LYS 2 16.472 10.586 -3.344
32 HG2 LYS 2 1HG LYS 2 14.875 11.045 -4.868
33 HG3 LYS 2 2HG LYS 2 13.770 9.819 -4.241
34 HD2 LYS 2 1HD LYS 2 14.337 12.235 -2.587
35 HD3 LYS 2 2HD LYS 2 13.246 12.382 -3.967
36 HE2 LYS 2 1HE LYS 2 12.046 10.340 -2.989
37 HE3 LYS 2 2HE LYS 2 12.960 10.667 -1.518
38 HZ1 LYS 2 3HZ LYS 2 12.008 12.922 -1.524
39 HZ2 LYS 2 1HZ LYS 2 10.826 11.719 -1.384
40 HZ3 LYS 2 2HZ LYS 2 11.058 12.509 -2.861
41 H GLU 3 H GLU 3 17.657 9.464 -4.777
42 HA GLU 3 HA GLU 3 19.781 8.123 -3.245
43 HB2 GLU 3 1HB GLU 3 20.952 7.562 -5.286
44 HB3 GLU 3 2HB GLU 3 19.328 6.890 -5.344
45 HG2 GLU 3 1HG GLU 3 20.047 9.505 -6.630
46 HG3 GLU 3 2HG GLU 3 20.187 7.957 -7.462
47 H ILE 4 H ILE 4 21.759 9.203 -3.128
48 HA ILE 4 HA ILE 4 21.629 12.045 -3.885
49 HB ILE 4 HB ILE 4 21.826 11.494 -1.441
50 HG12 ILE 4 1HG1 ILE 4 22.747 13.596 -2.733
51 HG13 ILE 4 2HG1 ILE 4 23.117 13.365 -1.028
52 HG21 ILE 4 1HG2 ILE 4 24.063 10.814 -0.627
53 HG22 ILE 4 2HG2 ILE 4 23.255 9.560 -1.566
54 HG23 ILE 4 3HG2 ILE 4 24.545 10.515 -2.296
55 HD11 ILE 4 3HD1 ILE 4 24.976 13.999 -2.768
56 HD12 ILE 4 1HD1 ILE 4 25.310 12.903 -1.428
57 HD13 ILE 4 2HD1 ILE 4 24.997 12.257 -3.039
58 H ILE 5 H ILE 5 23.211 12.958 -5.093
59 HA ILE 5 HA ILE 5 25.556 11.325 -5.776
60 HB ILE 5 HB ILE 5 24.209 12.973 -7.887
61 HG12 ILE 5 1HG1 ILE 5 23.619 10.066 -7.285
62 HG13 ILE 5 2HG1 ILE 5 22.512 11.405 -6.998
63 HG21 ILE 5 1HG2 ILE 5 25.456 10.515 -8.718
64 HG22 ILE 5 2HG2 ILE 5 25.823 12.174 -9.187
65 HG23 ILE 5 3HG2 ILE 5 26.564 11.482 -7.744
66 HD11 ILE 5 3HD1 ILE 5 23.574 10.560 -9.684
67 HD12 ILE 5 1HD1 ILE 5 21.975 10.185 -9.041
68 HD13 ILE 5 2HD1 ILE 5 22.421 11.858 -9.379
69 H LEU 6 H LEU 6 27.418 12.404 -5.655
70 HA LEU 6 HA LEU 6 27.302 15.328 -5.381
71 HB2 LEU 6 1HB LEU 6 29.514 15.099 -4.291
72 HB3 LEU 6 2HB LEU 6 28.210 14.272 -3.443
73 HG LEU 6 HG LEU 6 29.194 12.248 -4.952
74 HD11 LEU 6 1HD1 LEU 6 31.141 12.873 -5.848
75 HD12 LEU 6 2HD1 LEU 6 31.783 12.736 -4.212
76 HD13 LEU 6 3HD1 LEU 6 31.259 14.304 -4.824
77 HD21 LEU 6 3HD2 LEU 6 29.914 13.196 -2.195
78 HD22 LEU 6 1HD2 LEU 6 30.508 11.669 -2.846
79 HD23 LEU 6 2HD2 LEU 6 28.774 11.934 -2.665
80 H TYR 7 H TYR 7 28.026 16.519 -7.006
81 HA TYR 7 HA TYR 7 29.797 15.270 -8.991
82 HB2 TYR 7 1HB TYR 7 27.954 17.658 -9.205
83 HB3 TYR 7 2HB TYR 7 29.048 17.138 -10.482
84 HD1 TYR 7 HD2 TYR 7 28.624 15.070 -11.717
85 HD2 TYR 7 HD1 TYR 7 25.937 16.424 -8.709
86 HE1 TYR 7 HE2 TYR 7 26.909 13.521 -12.560
87 HE2 TYR 7 HE1 TYR 7 24.215 14.878 -9.543
88 HH TYR 7 HH TYR 7 23.830 13.105 -10.893
89 H THR 8 H THR 8 31.871 15.724 -8.700
90 HA THR 8 HA THR 8 32.908 18.326 -8.792
91 HB THR 8 HB THR 8 33.949 17.807 -6.280
92 HG1 THR 8 HG1 THR 8 31.172 17.676 -5.895
93 HG21 THR 8 3HG2 THR 8 32.891 19.916 -7.545
94 HG22 THR 8 1HG2 THR 8 33.185 19.898 -5.807
95 HG23 THR 8 2HG2 THR 8 31.569 19.567 -6.431
96 H ARG 9 H ARG 9 35.331 18.265 -7.914
97 HA ARG 9 HA ARG 9 36.531 15.979 -9.244
98 HB2 ARG 9 1HB ARG 9 38.668 17.288 -8.845
99 HB3 ARG 9 2HB ARG 9 37.473 18.055 -9.882
100 HG2 ARG 9 1HG ARG 9 37.183 18.755 -7.066
101 HG3 ARG 9 2HG ARG 9 38.735 19.228 -7.762
102 HD2 ARG 9 1HD ARG 9 36.254 19.794 -9.305
103 HD3 ARG 9 2HD ARG 9 36.617 20.800 -7.902
104 HE ARG 9 HE ARG 9 38.838 20.515 -9.692
105 HH11 ARG 9 1HH1 ARG 9 35.912 22.287 -9.046
106 HH12 ARG 9 2HH1 ARG 9 36.420 23.698 -9.914
107 HH21 ARG 9 1HH2 ARG 9 39.519 22.366 -10.838
108 HH22 ARG 9 2HH2 ARG 9 38.472 23.742 -10.933
109 HA PRO 10 HA PRO 10 37.810 13.766 -5.679
110 HB2 PRO 10 1HB PRO 10 40.264 12.870 -6.418
111 HB3 PRO 10 2HB PRO 10 38.763 12.232 -7.100
112 HG2 PRO 10 1HG PRO 10 40.647 14.261 -8.237
113 HG3 PRO 10 2HG PRO 10 39.838 12.908 -9.048
114 HD2 PRO 10 1HD PRO 10 38.949 15.459 -9.233
115 HD3 PRO 10 2HD PRO 10 37.855 14.062 -9.268
116 H ASN 11 H ASN 11 39.426 16.573 -6.658
117 HA ASN 11 HA ASN 11 41.272 16.535 -4.386
118 HB2 ASN 11 1HB ASN 11 41.863 17.287 -6.822
119 HB3 ASN 11 2HB ASN 11 41.085 18.794 -6.350
120 HD21 ASN 11 2HD2 ASN 11 43.895 18.133 -6.995
121 HD22 ASN 11 1HD2 ASN 11 44.812 18.677 -5.636
122 H CYS 12 H CYS 12 38.417 16.750 -3.965
123 HA CYS 12 HA CYS 12 38.182 19.510 -2.974
124 HB2 CYS 12 1HB CYS 12 36.362 19.002 -4.426
125 HB3 CYS 12 2HB CYS 12 36.099 17.438 -3.660
126 HA PRO 13 HA PRO 13 38.970 17.213 0.891
127 HB2 PRO 13 1HB PRO 13 40.002 19.359 2.194
128 HB3 PRO 13 2HB PRO 13 40.957 18.345 1.106
129 HG2 PRO 13 1HG PRO 13 39.658 20.990 0.578
130 HG3 PRO 13 2HG PRO 13 41.269 20.421 0.104
131 HD2 PRO 13 1HD PRO 13 39.174 20.453 -1.610
132 HD3 PRO 13 2HD PRO 13 40.458 19.230 -1.695
133 H TYR 14 H TYR 14 37.345 20.271 0.300
134 HA TYR 14 HA TYR 14 36.119 20.489 2.854
135 HB2 TYR 14 1HB TYR 14 36.419 22.200 0.795
136 HB3 TYR 14 2HB TYR 14 34.759 21.690 0.508
137 HD1 TYR 14 HD2 TYR 14 36.850 22.669 3.457
138 HD2 TYR 14 HD1 TYR 14 33.151 23.072 1.394
139 HE1 TYR 14 HE2 TYR 14 36.073 24.252 5.171
140 HE2 TYR 14 HE1 TYR 14 32.364 24.658 3.102
141 HH TYR 14 HH TYR 14 34.263 25.335 5.992
142 H CYS 15 H CYS 15 35.545 18.473 0.194
143 HA CYS 15 HA CYS 15 32.737 18.165 0.374
144 HB2 CYS 15 1HB CYS 15 34.929 16.417 -0.732
145 HB3 CYS 15 2HB CYS 15 33.237 15.932 -0.775
146 H LYS 16 H LYS 16 35.337 17.034 2.306
147 HA LYS 16 HA LYS 16 34.483 14.655 3.354
148 HB2 LYS 16 1HB LYS 16 35.854 15.071 5.208
149 HB3 LYS 16 2HB LYS 16 36.574 16.034 3.924
150 HG2 LYS 16 1HG LYS 16 35.169 17.966 4.852
151 HG3 LYS 16 2HG LYS 16 34.963 16.947 6.278
152 HD2 LYS 16 1HD LYS 16 37.653 17.649 5.116
153 HD3 LYS 16 2HD LYS 16 36.868 18.591 6.386
154 HE2 LYS 16 1HE LYS 16 37.366 15.636 6.637
155 HE3 LYS 16 2HE LYS 16 38.559 16.839 7.124
156 HZ1 LYS 16 3HZ LYS 16 36.313 15.924 8.546
157 HZ2 LYS 16 1HZ LYS 16 36.123 17.579 8.249
158 HZ3 LYS 16 2HZ LYS 16 37.504 17.015 9.046
159 H ARG 17 H ARG 17 33.228 17.863 4.001
160 HA ARG 17 HA ARG 17 31.689 17.263 6.273
161 HB2 ARG 17 1HB ARG 17 31.421 19.362 4.129
162 HB3 ARG 17 2HB ARG 17 30.300 19.261 5.480
163 HG2 ARG 17 1HG ARG 17 32.497 19.304 6.906
164 HG3 ARG 17 2HG ARG 17 33.171 20.040 5.449
165 HD2 ARG 17 1HD ARG 17 31.346 21.717 5.514
166 HD3 ARG 17 2HD ARG 17 30.800 21.016 7.036
167 HE ARG 17 HE ARG 17 33.051 22.756 6.638
168 HH11 ARG 17 1HH1 ARG 17 31.657 20.301 8.675
169 HH12 ARG 17 2HH1 ARG 17 32.538 20.787 10.085
170 HH21 ARG 17 1HH2 ARG 17 34.216 23.405 8.489
171 HH22 ARG 17 2HH2 ARG 17 33.992 22.553 9.979
172 H ALA 18 H ALA 18 30.703 17.460 2.851
173 HA ALA 18 HA ALA 18 28.064 16.589 3.234
174 HB1 ALA 18 1HB ALA 18 29.324 17.619 1.148
175 HB2 ALA 18 2HB ALA 18 29.449 15.919 0.694
176 HB3 ALA 18 3HB ALA 18 27.865 16.646 0.965
177 H ARG 19 H ARG 19 30.868 14.737 2.026
178 HA ARG 19 HA ARG 19 29.665 12.251 1.875
179 HB2 ARG 19 1HB ARG 19 31.798 11.352 1.673
180 HB3 ARG 19 2HB ARG 19 32.045 13.023 1.183
181 HG2 ARG 19 1HG ARG 19 32.871 13.546 3.435
182 HG3 ARG 19 2HG ARG 19 32.664 11.852 3.887
183 HD2 ARG 19 1HD ARG 19 34.158 11.431 1.774
184 HD3 ARG 19 2HD ARG 19 34.651 13.102 2.046
185 HE ARG 19 HE ARG 19 34.812 11.606 4.447
186 HH11 ARG 19 1HH1 ARG 19 36.420 12.101 1.399
187 HH12 ARG 19 2HH1 ARG 19 37.982 11.654 2.002
188 HH21 ARG 19 1HH2 ARG 19 36.863 11.016 5.252
189 HH22 ARG 19 2HH2 ARG 19 38.232 11.036 4.193
190 H ASP 20 H ASP 20 30.892 13.962 4.667
191 HA ASP 20 HA ASP 20 30.852 11.740 6.450
192 HB2 ASP 20 1HB ASP 20 32.235 13.574 7.060
193 HB3 ASP 20 2HB ASP 20 30.913 14.724 6.880
194 H LEU 21 H LEU 21 28.553 14.295 5.640
195 HA LEU 21 HA LEU 21 26.650 13.737 7.628
196 HB2 LEU 21 1HB LEU 21 26.889 15.683 5.852
197 HB3 LEU 21 2HB LEU 21 25.769 14.669 4.945
198 HG LEU 21 HG LEU 21 24.444 16.262 6.063
199 HD11 LEU 21 1HD1 LEU 21 24.304 13.925 7.937
200 HD12 LEU 21 2HD1 LEU 21 23.801 13.795 6.252
201 HD13 LEU 21 3HD1 LEU 21 22.994 14.937 7.327
202 HD21 LEU 21 3HD2 LEU 21 25.120 15.752 8.821
203 HD22 LEU 21 1HD2 LEU 21 25.039 17.281 7.946
204 HD23 LEU 21 2HD2 LEU 21 26.522 16.327 7.917
205 H LEU 22 H LEU 22 26.971 12.542 4.303
206 HA LEU 22 HA LEU 22 24.627 10.944 4.366
207 HB2 LEU 22 1HB LEU 22 27.003 10.378 2.630
208 HB3 LEU 22 2HB LEU 22 25.295 10.114 2.284
209 HG LEU 22 HG LEU 22 26.536 12.850 2.520
210 HD11 LEU 22 1HD1 LEU 22 27.429 11.303 0.654
211 HD12 LEU 22 2HD1 LEU 22 26.882 12.925 0.231
212 HD13 LEU 22 3HD1 LEU 22 25.840 11.535 -0.077
213 HD21 LEU 22 3HD2 LEU 22 24.409 13.183 0.968
214 HD22 LEU 22 1HD2 LEU 22 24.304 13.240 2.728
215 HD23 LEU 22 2HD2 LEU 22 23.850 11.770 1.865
216 H ASP 23 H ASP 23 28.078 10.139 4.702
217 HA ASP 23 HA ASP 23 27.730 7.394 5.168
218 HB2 ASP 23 1HB ASP 23 29.895 8.571 4.614
219 HB3 ASP 23 2HB ASP 23 29.953 9.103 6.293
220 H LYS 24 H LYS 24 27.363 10.152 7.238
221 HA LYS 24 HA LYS 24 27.477 8.684 9.703
222 HB2 LYS 24 1HB LYS 24 28.057 11.042 9.678
223 HB3 LYS 24 2HB LYS 24 26.460 11.460 9.070
224 HG2 LYS 24 1HG LYS 24 26.524 9.952 11.602
225 HG3 LYS 24 2HG LYS 24 27.155 11.600 11.656
226 HD2 LYS 24 1HD LYS 24 25.002 12.272 10.451
227 HD3 LYS 24 2HD LYS 24 24.403 10.670 10.885
228 HE2 LYS 24 1HE LYS 24 24.518 11.132 13.183
229 HE3 LYS 24 2HE LYS 24 25.558 12.533 12.936
230 HZ1 LYS 24 3HZ LYS 24 22.657 12.288 12.570
231 HZ2 LYS 24 1HZ LYS 24 23.506 13.401 11.619
232 HZ3 LYS 24 2HZ LYS 24 23.547 13.524 13.305
233 H LYS 25 H LYS 25 24.925 9.911 7.591
234 HA LYS 25 HA LYS 25 22.775 9.150 9.296
235 HB2 LYS 25 1HB LYS 25 23.099 10.311 6.632
236 HB3 LYS 25 2HB LYS 25 21.718 9.228 6.746
237 HG2 LYS 25 1HG LYS 25 21.153 11.583 7.205
238 HG3 LYS 25 2HG LYS 25 20.796 10.508 8.559
239 HD2 LYS 25 1HD LYS 25 22.905 11.186 9.629
240 HD3 LYS 25 2HD LYS 25 23.219 12.288 8.286
241 HE2 LYS 25 1HE LYS 25 22.300 13.557 10.094
242 HE3 LYS 25 2HE LYS 25 21.079 13.445 8.827
243 HZ1 LYS 25 3HZ LYS 25 20.615 12.911 11.400
244 HZ2 LYS 25 1HZ LYS 25 20.976 11.358 10.833
245 HZ3 LYS 25 2HZ LYS 25 19.721 12.246 10.127
246 H GLY 26 H GLY 26 24.592 7.552 6.767
247 HA2 GLY 26 1HA GLY 26 24.786 5.187 6.654
248 HA3 GLY 26 2HA GLY 26 23.230 5.048 7.459
249 H VAL 27 H VAL 27 24.396 6.681 4.509
250 HA VAL 27 HA VAL 27 22.328 5.221 3.004
251 HB VAL 27 HB VAL 27 22.306 7.390 1.544
252 HG11 VAL 27 1HG1 VAL 27 20.361 6.511 2.689
253 HG12 VAL 27 2HG1 VAL 27 20.912 7.208 4.214
254 HG13 VAL 27 3HG1 VAL 27 20.431 8.262 2.883
255 HG21 VAL 27 3HG2 VAL 27 24.134 8.259 3.313
256 HG22 VAL 27 1HG2 VAL 27 23.052 9.333 2.426
257 HG23 VAL 27 2HG2 VAL 27 22.664 8.859 4.080
258 H LYS 28 H LYS 28 22.756 5.599 0.533
259 HA LYS 28 HA LYS 28 25.617 5.065 0.082
260 HB2 LYS 28 1HB LYS 28 23.218 3.703 -0.764
261 HB3 LYS 28 2HB LYS 28 24.152 4.214 -2.163
262 HG2 LYS 28 1HG LYS 28 25.237 2.283 -1.860
263 HG3 LYS 28 2HG LYS 28 26.099 3.163 -0.597
264 HD2 LYS 28 1HD LYS 28 25.396 1.175 0.433
265 HD3 LYS 28 2HD LYS 28 24.236 2.392 0.971
266 HE2 LYS 28 1HE LYS 28 23.105 0.329 0.339
267 HE3 LYS 28 2HE LYS 28 22.660 1.648 -0.743
268 HZ1 LYS 28 3HZ LYS 28 23.379 0.474 -2.459
269 HZ2 LYS 28 1HZ LYS 28 23.699 -0.831 -1.432
270 HZ3 LYS 28 2HZ LYS 28 24.913 0.298 -1.768
271 H TYR 29 H TYR 29 26.560 6.879 -0.618
272 HA TYR 29 HA TYR 29 25.124 8.603 -2.503
273 HB2 TYR 29 1HB TYR 29 26.719 10.319 -1.949
274 HB3 TYR 29 2HB TYR 29 26.135 9.609 -0.448
275 HD1 TYR 29 HD1 TYR 29 29.007 9.900 -2.721
276 HD2 TYR 29 HD2 TYR 29 27.608 8.351 0.987
277 HE1 TYR 29 HE1 TYR 29 31.328 9.459 -2.036
278 HE2 TYR 29 HE2 TYR 29 29.925 7.907 1.683
279 HH TYR 29 HH TYR 29 32.064 7.925 1.081
280 H THR 30 H THR 30 25.945 9.139 -4.505
281 HA THR 30 HA THR 30 28.031 7.333 -5.512
282 HB THR 30 HB THR 30 25.896 8.884 -6.986
283 HG1 THR 30 HG1 THR 30 25.479 6.791 -5.786
284 HG21 THR 30 3HG2 THR 30 27.897 8.815 -8.351
285 HG22 THR 30 1HG2 THR 30 26.706 7.687 -8.997
286 HG23 THR 30 2HG2 THR 30 28.072 7.085 -8.058
287 H ASP 31 H ASP 31 29.978 8.114 -5.955
288 HA ASP 31 HA ASP 31 30.424 10.982 -5.917
289 HB2 ASP 31 1HB ASP 31 32.034 9.801 -4.668
290 HB3 ASP 31 2HB ASP 31 32.237 8.580 -5.922
291 H ILE 32 H ILE 32 30.642 12.216 -7.663
292 HA ILE 32 HA ILE 32 31.083 10.889 -10.258
293 HB ILE 32 HB ILE 32 29.605 13.479 -9.786
294 HG12 ILE 32 1HG1 ILE 32 28.433 11.453 -8.889
295 HG13 ILE 32 2HG1 ILE 32 27.562 12.270 -10.182
296 HG21 ILE 32 1HG2 ILE 32 30.206 13.724 -11.949
297 HG22 ILE 32 2HG2 ILE 32 30.480 11.998 -12.181
298 HG23 ILE 32 3HG2 ILE 32 28.839 12.644 -12.222
299 HD11 ILE 32 3HD1 ILE 32 29.361 9.999 -10.860
300 HD12 ILE 32 1HD1 ILE 32 27.781 9.672 -10.147
301 HD13 ILE 32 2HD1 ILE 32 27.896 10.561 -11.667
302 H ASP 33 H ASP 33 32.965 11.337 -11.170
303 HA ASP 33 HA ASP 33 34.803 13.204 -10.165
304 HB2 ASP 33 1HB ASP 33 34.645 11.693 -12.767
305 HB3 ASP 33 2HB ASP 33 35.968 12.802 -12.418
306 H ALA 34 H ALA 34 35.436 15.229 -10.837
307 HA ALA 34 HA ALA 34 33.471 16.962 -11.821
308 HB1 ALA 34 1HB ALA 34 36.409 17.206 -11.349
309 HB2 ALA 34 2HB ALA 34 35.545 18.501 -12.180
310 HB3 ALA 34 3HB ALA 34 35.069 18.028 -10.549
311 H SER 35 H SER 35 35.605 14.868 -13.473
312 HA SER 35 HA SER 35 36.155 16.122 -15.851
313 HB2 SER 35 1HB SER 35 35.218 13.262 -15.807
314 HB3 SER 35 2HB SER 35 36.483 13.993 -16.795
315 HG SER 35 HG SER 35 36.660 12.871 -14.344
316 H THR 36 H THR 36 34.837 17.249 -17.110
317 HA THR 36 HA THR 36 32.042 17.048 -17.143
318 HB THR 36 HB THR 36 32.157 18.409 -19.235
319 HG1 THR 36 HG1 THR 36 33.953 18.272 -20.334
320 HG21 THR 36 3HG2 THR 36 32.095 19.706 -17.298
321 HG22 THR 36 1HG2 THR 36 33.527 20.306 -18.134
322 HG23 THR 36 2HG2 THR 36 33.698 19.186 -16.782
323 H SER 37 H SER 37 34.478 15.276 -18.840
324 HA SER 37 HA SER 37 33.212 14.419 -21.121
325 HB2 SER 37 1HB SER 37 34.473 12.153 -20.505
326 HB3 SER 37 2HB SER 37 35.354 13.596 -21.005
327 HG SER 37 HG SER 37 36.263 12.751 -19.121
328 H LEU 38 H LEU 38 32.605 13.472 -17.815
329 HA LEU 38 HA LEU 38 30.393 11.773 -18.763
330 HB2 LEU 38 1HB LEU 38 32.447 11.297 -16.673
331 HB3 LEU 38 2HB LEU 38 30.813 10.713 -16.363
332 HG LEU 38 HG LEU 38 32.235 8.955 -17.278
333 HD11 LEU 38 1HD1 LEU 38 29.714 9.377 -17.910
334 HD12 LEU 38 2HD1 LEU 38 30.643 8.080 -18.661
335 HD13 LEU 38 3HD1 LEU 38 30.394 9.598 -19.523
336 HD21 LEU 38 3HD2 LEU 38 33.384 10.909 -18.780
337 HD22 LEU 38 1HD2 LEU 38 32.361 10.106 -19.971
338 HD23 LEU 38 2HD2 LEU 38 33.562 9.178 -19.073
339 H ARG 39 H ARG 39 31.564 14.027 -16.332
340 HA ARG 39 HA ARG 39 29.277 14.112 -14.709
341 HB2 ARG 39 1HB ARG 39 31.540 15.088 -14.180
342 HB3 ARG 39 2HB ARG 39 31.146 16.418 -15.261
343 HG2 ARG 39 1HG ARG 39 28.967 16.333 -13.600
344 HG3 ARG 39 2HG ARG 39 30.300 15.916 -12.522
345 HD2 ARG 39 1HD ARG 39 30.017 18.296 -12.494
346 HD3 ARG 39 2HD ARG 39 31.515 17.922 -13.347
347 HE ARG 39 HE ARG 39 29.216 18.233 -15.058
348 HH11 ARG 39 1HH1 ARG 39 31.871 19.830 -13.471
349 HH12 ARG 39 2HH1 ARG 39 31.897 21.166 -14.575
350 HH21 ARG 39 1HH2 ARG 39 29.240 19.986 -16.517
351 HH22 ARG 39 2HH2 ARG 39 30.399 21.254 -16.306
352 H GLN 40 H GLN 40 30.168 15.968 -17.587
353 HA GLN 40 HA GLN 40 28.059 17.792 -17.577
354 HB2 GLN 40 1HB GLN 40 30.170 17.603 -19.109
355 HB3 GLN 40 2HB GLN 40 29.107 16.662 -20.146
356 HG2 GLN 40 1HG GLN 40 28.011 19.225 -19.220
357 HG3 GLN 40 2HG GLN 40 29.406 19.336 -20.293
358 HE21 GLN 40 2HE2 GLN 40 28.146 20.238 -21.930
359 HE22 GLN 40 1HE2 GLN 40 27.044 19.290 -22.862
360 H GLU 41 H GLU 41 28.232 14.490 -18.793
361 HA GLU 41 HA GLU 41 25.695 14.526 -20.081
362 HB2 GLU 41 1HB GLU 41 27.031 12.045 -19.030
363 HB3 GLU 41 2HB GLU 41 26.000 12.219 -20.443
364 HG2 GLU 41 1HG GLU 41 27.889 13.756 -21.323
365 HG3 GLU 41 2HG GLU 41 28.872 12.955 -20.099
366 H MET 42 H MET 42 26.801 13.161 -16.982
367 HA MET 42 HA MET 42 24.321 12.216 -16.110
368 HB2 MET 42 1HB MET 42 26.906 12.893 -14.824
369 HB3 MET 42 2HB MET 42 25.505 12.795 -13.765
370 HG2 MET 42 1HG MET 42 26.332 10.653 -13.682
371 HG3 MET 42 2HG MET 42 25.088 10.524 -14.924
372 HE1 MET 42 3HE MET 42 28.276 9.805 -13.751
373 HE2 MET 42 1HE MET 42 29.206 9.160 -15.104
374 HE3 MET 42 2HE MET 42 29.299 10.876 -14.709
375 H VAL 43 H VAL 43 25.936 15.307 -15.380
376 HA VAL 43 HA VAL 43 23.860 16.387 -13.824
377 HB VAL 43 HB VAL 43 26.204 17.268 -13.936
378 HG11 VAL 43 1HG1 VAL 43 26.965 18.585 -15.699
379 HG12 VAL 43 2HG1 VAL 43 26.142 17.251 -16.511
380 HG13 VAL 43 3HG1 VAL 43 25.344 18.817 -16.353
381 HG21 VAL 43 3HG2 VAL 43 23.893 18.545 -13.314
382 HG22 VAL 43 1HG2 VAL 43 25.503 19.227 -13.078
383 HG23 VAL 43 2HG2 VAL 43 24.571 19.643 -14.517
384 H GLN 44 H GLN 44 24.448 16.392 -17.289
385 HA GLN 44 HA GLN 44 22.568 18.334 -18.034
386 HB2 GLN 44 1HB GLN 44 23.923 17.806 -19.800
387 HB3 GLN 44 2HB GLN 44 23.962 16.094 -19.399
388 HG2 GLN 44 1HG GLN 44 22.037 15.636 -20.546
389 HG3 GLN 44 2HG GLN 44 21.413 17.276 -20.371
390 HE21 GLN 44 2HE2 GLN 44 21.924 18.806 -21.871
391 HE22 GLN 44 1HE2 GLN 44 22.782 18.464 -23.331
392 H ARG 45 H ARG 45 22.246 14.794 -17.844
393 HA ARG 45 HA ARG 45 19.414 14.917 -18.378
394 HB2 ARG 45 1HB ARG 45 21.460 12.831 -18.127
395 HB3 ARG 45 2HB ARG 45 19.901 12.374 -17.456
396 HG2 ARG 45 1HG ARG 45 19.443 11.730 -19.547
397 HG3 ARG 45 2HG ARG 45 19.151 13.447 -19.830
398 HD2 ARG 45 1HD ARG 45 21.043 13.705 -21.041
399 HD3 ARG 45 2HD ARG 45 21.953 12.558 -20.059
400 HE ARG 45 HE ARG 45 21.393 10.905 -21.538
401 HH11 ARG 45 1HH1 ARG 45 19.303 13.643 -22.046
402 HH12 ARG 45 2HH1 ARG 45 18.583 12.992 -23.482
403 HH21 ARG 45 1HH2 ARG 45 20.452 10.037 -23.426
404 HH22 ARG 45 2HH2 ARG 45 19.236 10.941 -24.265
405 H ALA 46 H ALA 46 21.341 15.354 -15.667
406 HA ALA 46 HA ALA 46 19.564 14.219 -13.711
407 HB1 ALA 46 1HB ALA 46 21.030 15.394 -12.080
408 HB2 ALA 46 2HB ALA 46 21.900 14.326 -13.183
409 HB3 ALA 46 3HB ALA 46 21.926 16.071 -13.440
410 H ASN 47 H ASN 47 20.276 17.467 -14.935
411 HA ASN 47 HA ASN 47 17.910 18.455 -13.483
412 HB2 ASN 47 1HB ASN 47 18.917 20.557 -13.258
413 HB3 ASN 47 2HB ASN 47 20.251 19.439 -12.989
414 HD21 ASN 47 2HD2 ASN 47 22.012 19.632 -14.200
415 HD22 ASN 47 1HD2 ASN 47 22.157 20.636 -15.599
416 H GLY 48 H GLY 48 19.655 18.494 -16.550
417 HA2 GLY 48 1HA GLY 48 17.751 18.295 -18.360
418 HA3 GLY 48 2HA GLY 48 17.461 19.946 -17.830
419 H ARG 49 H ARG 49 20.131 20.751 -17.442
420 HA ARG 49 HA ARG 49 21.419 20.382 -20.040
421 HB2 ARG 49 1HB ARG 49 19.984 22.334 -20.340
422 HB3 ARG 49 2HB ARG 49 20.666 23.080 -18.901
423 HG2 ARG 49 1HG ARG 49 21.663 24.096 -20.810
424 HG3 ARG 49 2HG ARG 49 22.882 23.084 -20.033
425 HD2 ARG 49 1HD ARG 49 22.857 21.523 -21.725
426 HD3 ARG 49 2HD ARG 49 21.214 21.929 -22.217
427 HE ARG 49 HE ARG 49 23.623 23.064 -23.216
428 HH11 ARG 49 1HH1 ARG 49 20.299 23.792 -22.479
429 HH12 ARG 49 2HH1 ARG 49 20.185 25.070 -23.643
430 HH21 ARG 49 1HH2 ARG 49 23.485 24.745 -24.752
431 HH22 ARG 49 2HH2 ARG 49 21.997 25.611 -24.936
432 H ASN 50 H ASN 50 23.639 20.795 -20.049
433 HA ASN 50 HA ASN 50 25.074 20.193 -17.775
434 HB2 ASN 50 1HB ASN 50 27.035 21.284 -19.031
435 HB3 ASN 50 2HB ASN 50 26.205 19.948 -19.824
436 HD21 ASN 50 2HD2 ASN 50 25.149 20.291 -21.709
437 HD22 ASN 50 1HD2 ASN 50 25.134 21.803 -22.545
438 H THR 51 H THR 51 26.560 21.490 -16.504
439 HA THR 51 HA THR 51 26.518 24.299 -16.430
440 HB THR 51 HB THR 51 25.268 23.963 -13.961
441 HG1 THR 51 HG1 THR 51 24.477 21.929 -15.052
442 HG21 THR 51 3HG2 THR 51 25.184 25.804 -15.802
443 HG22 THR 51 1HG2 THR 51 23.801 25.585 -14.731
444 HG23 THR 51 2HG2 THR 51 23.765 24.922 -16.365
445 H PHE 52 H PHE 52 27.153 25.020 -14.009
446 HA PHE 52 HA PHE 52 29.676 23.908 -13.526
447 HB2 PHE 52 1HB PHE 52 29.841 25.395 -11.696
448 HB3 PHE 52 2HB PHE 52 28.806 26.217 -12.859
449 HD1 PHE 52 HD2 PHE 52 26.247 25.893 -12.528
450 HD2 PHE 52 HD1 PHE 52 29.161 25.203 -9.503
451 HE1 PHE 52 HE2 PHE 52 24.512 26.148 -10.803
452 HE2 PHE 52 HE1 PHE 52 27.430 25.456 -7.773
453 HZ PHE 52 HZ PHE 52 25.102 25.931 -8.422
454 HA PRO 53 HA PRO 53 28.986 20.411 -10.968
455 HB2 PRO 53 1HB PRO 53 31.126 20.532 -9.302
456 HB3 PRO 53 2HB PRO 53 31.259 20.079 -11.005
457 HG2 PRO 53 1HG PRO 53 31.797 22.719 -9.699
458 HG3 PRO 53 2HG PRO 53 32.734 21.876 -10.947
459 HD2 PRO 53 1HD PRO 53 31.043 23.912 -11.521
460 HD3 PRO 53 2HD PRO 53 31.334 22.567 -12.643
461 H GLN 54 H GLN 54 28.302 19.732 -8.905
462 HA GLN 54 HA GLN 54 28.345 21.338 -6.594
463 HB2 GLN 54 1HB GLN 54 26.208 22.270 -6.483
464 HB3 GLN 54 2HB GLN 54 26.697 22.576 -8.145
465 HG2 GLN 54 1HG GLN 54 24.741 20.557 -7.112
466 HG3 GLN 54 2HG GLN 54 24.481 21.852 -8.280
467 HE21 GLN 54 2HE2 GLN 54 24.894 18.608 -7.933
468 HE22 GLN 54 1HE2 GLN 54 25.406 18.209 -9.533
469 H ILE 55 H ILE 55 26.370 20.535 -5.082
470 HA ILE 55 HA ILE 55 26.633 17.626 -5.085
471 HB ILE 55 HB ILE 55 25.648 19.524 -2.954
472 HG12 ILE 55 1HG1 ILE 55 28.032 17.747 -2.675
473 HG13 ILE 55 2HG1 ILE 55 28.185 19.200 -3.656
474 HG21 ILE 55 1HG2 ILE 55 25.927 17.342 -1.551
475 HG22 ILE 55 2HG2 ILE 55 24.443 17.625 -2.460
476 HG23 ILE 55 3HG2 ILE 55 25.678 16.544 -3.104
477 HD11 ILE 55 3HD1 ILE 55 28.393 18.958 -0.870
478 HD12 ILE 55 1HD1 ILE 55 28.447 20.429 -1.841
479 HD13 ILE 55 2HD1 ILE 55 26.911 19.858 -1.189
480 H PHE 56 H PHE 56 25.083 16.466 -5.999
481 HA PHE 56 HA PHE 56 22.392 17.572 -6.246
482 HB2 PHE 56 1HB PHE 56 24.021 15.918 -7.881
483 HB3 PHE 56 2HB PHE 56 22.617 14.966 -7.408
484 HD1 PHE 56 HD2 PHE 56 20.328 16.363 -7.556
485 HD2 PHE 56 HD1 PHE 56 23.853 17.115 -9.821
486 HE1 PHE 56 HE2 PHE 56 18.979 17.500 -9.271
487 HE2 PHE 56 HE1 PHE 56 22.509 18.254 -11.539
488 HZ PHE 56 HZ PHE 56 20.069 18.446 -11.266
489 H ILE 57 H ILE 57 20.597 16.700 -5.316
490 HA ILE 57 HA ILE 57 20.870 14.241 -3.754
491 HB ILE 57 HB ILE 57 19.551 15.396 -1.890
492 HG12 ILE 57 1HG1 ILE 57 20.805 17.882 -3.056
493 HG13 ILE 57 2HG1 ILE 57 19.123 17.445 -3.338
494 HG21 ILE 57 1HG2 ILE 57 21.809 16.572 -1.133
495 HG22 ILE 57 2HG2 ILE 57 21.636 14.819 -1.188
496 HG23 ILE 57 3HG2 ILE 57 22.438 15.667 -2.510
497 HD11 ILE 57 3HD1 ILE 57 20.446 18.430 -0.879
498 HD12 ILE 57 1HD1 ILE 57 18.871 18.834 -1.562
499 HD13 ILE 57 2HD1 ILE 57 19.095 17.310 -0.702
500 H GLY 58 H GLY 58 19.243 12.929 -4.234
501 HA2 GLY 58 1HA GLY 58 17.235 12.187 -5.081
502 HA3 GLY 58 2HA GLY 58 16.554 13.448 -4.064
503 H ASP 59 H ASP 59 18.573 13.701 -6.973
504 HA ASP 59 HA ASP 59 18.209 14.674 -8.998
505 HB2 ASP 59 1HB ASP 59 15.247 14.656 -8.486
506 HB3 ASP 59 2HB ASP 59 16.105 14.479 -10.014
507 H TYR 60 H TYR 60 18.515 16.244 -6.573
508 HA TYR 60 HA TYR 60 17.449 18.768 -7.598
509 HB2 TYR 60 1HB TYR 60 15.846 18.250 -5.913
510 HB3 TYR 60 2HB TYR 60 17.095 17.741 -4.783
511 HD1 TYR 60 HD1 TYR 60 15.421 20.620 -6.320
512 HD2 TYR 60 HD2 TYR 60 18.365 19.365 -3.516
513 HE1 TYR 60 HE1 TYR 60 15.477 22.889 -5.372
514 HE2 TYR 60 HE2 TYR 60 18.428 21.630 -2.560
515 HH TYR 60 HH TYR 60 17.706 23.725 -2.739
516 H HIS 61 H HIS 61 19.310 19.738 -8.128
517 HA HIS 61 HA HIS 61 21.777 19.369 -6.823
518 HB2 HIS 61 1HB HIS 61 22.462 21.440 -8.090
519 HB3 HIS 61 2HB HIS 61 21.791 20.149 -9.081
520 HD1 HIS 61 HD1 HIS 61 19.402 20.544 -10.074
521 HD2 HIS 61 HD2 HIS 61 21.023 23.809 -8.081
522 HE1 HIS 61 HE1 HIS 61 17.979 22.509 -10.734
523 H VAL 62 H VAL 62 22.874 20.575 -5.310
524 HA VAL 62 HA VAL 62 21.221 22.458 -3.767
525 HB VAL 62 HB VAL 62 23.614 20.827 -2.909
526 HG11 VAL 62 1HG1 VAL 62 23.049 21.706 -0.629
527 HG12 VAL 62 2HG1 VAL 62 23.719 22.901 -1.741
528 HG13 VAL 62 3HG1 VAL 62 21.986 22.873 -1.415
529 HG21 VAL 62 3HG2 VAL 62 20.838 20.241 -3.021
530 HG22 VAL 62 1HG2 VAL 62 22.146 19.251 -2.372
531 HG23 VAL 62 2HG2 VAL 62 21.298 20.390 -1.325
532 H GLY 63 H GLY 63 24.720 21.947 -4.276
533 HA2 GLY 63 1HA GLY 63 25.597 23.991 -5.676
534 HA3 GLY 63 2HA GLY 63 25.089 24.851 -4.230
535 H GLY 64 H GLY 64 26.142 24.344 -2.211
536 HA2 GLY 64 1HA GLY 64 28.869 23.291 -2.642
537 HA3 GLY 64 2HA GLY 64 28.488 24.595 -1.528
538 H CYS 65 H CYS 65 29.849 22.903 -0.256
539 HA CYS 65 HA CYS 65 28.450 20.594 0.694
540 HB2 CYS 65 1HB CYS 65 30.835 21.921 1.987
541 HB3 CYS 65 2HB CYS 65 30.333 20.240 2.127
542 HG CYS 65 HG CYS 65 31.142 19.440 -0.327
543 H ASP 66 H ASP 66 29.440 23.636 2.273
544 HA ASP 66 HA ASP 66 28.147 23.251 4.695
545 HB2 ASP 66 1HB ASP 66 28.499 25.525 5.118
546 HB3 ASP 66 2HB ASP 66 29.759 25.133 3.951
547 H ASP 67 H ASP 67 26.843 24.099 1.599
548 HA ASP 67 HA ASP 67 24.459 25.331 2.270
549 HB2 ASP 67 1HB ASP 67 25.120 23.420 0.029
550 HB3 ASP 67 2HB ASP 67 23.566 24.241 0.153
551 H LEU 68 H LEU 68 25.005 21.837 1.810
552 HA LEU 68 HA LEU 68 22.449 20.986 2.531
553 HB2 LEU 68 1HB LEU 68 23.306 18.837 2.590
554 HB3 LEU 68 2HB LEU 68 24.404 19.678 1.497
555 HG LEU 68 HG LEU 68 25.809 19.989 3.715
556 HD11 LEU 68 1HD1 LEU 68 23.793 17.966 4.393
557 HD12 LEU 68 2HD1 LEU 68 24.775 18.990 5.439
558 HD13 LEU 68 3HD1 LEU 68 25.459 17.515 4.756
559 HD21 LEU 68 3HD2 LEU 68 27.210 18.688 2.587
560 HD22 LEU 68 1HD2 LEU 68 25.886 18.296 1.490
561 HD23 LEU 68 2HD2 LEU 68 26.209 17.265 2.884
562 H TYR 69 H TYR 69 25.245 21.770 4.506
563 HA TYR 69 HA TYR 69 24.240 20.725 6.942
564 HB2 TYR 69 1HB TYR 69 26.546 22.263 6.065
565 HB3 TYR 69 2HB TYR 69 25.944 22.822 7.622
566 HD1 TYR 69 HD2 TYR 69 26.786 19.637 5.858
567 HD2 TYR 69 HD1 TYR 69 26.713 21.777 9.534
568 HE1 TYR 69 HE2 TYR 69 27.928 17.761 6.966
569 HE2 TYR 69 HE1 TYR 69 27.855 19.908 10.652
570 HH TYR 69 HH TYR 69 28.938 17.965 10.349
571 H ALA 70 H ALA 70 24.389 24.058 5.689
572 HA ALA 70 HA ALA 70 23.078 25.333 7.774
573 HB1 ALA 70 1HB ALA 70 24.167 26.157 5.451
574 HB2 ALA 70 2HB ALA 70 22.453 26.340 5.078
575 HB3 ALA 70 3HB ALA 70 23.146 27.170 6.471
576 H LEU 71 H LEU 71 21.688 23.920 4.820
577 HA LEU 71 HA LEU 71 19.010 24.574 5.396
578 HB2 LEU 71 1HB LEU 71 20.191 22.377 3.708
579 HB3 LEU 71 2HB LEU 71 18.472 22.763 3.760
580 HG LEU 71 HG LEU 71 20.494 24.835 2.977
581 HD11 LEU 71 1HD1 LEU 71 19.958 22.413 1.566
582 HD12 LEU 71 2HD1 LEU 71 20.998 23.761 1.107
583 HD13 LEU 71 3HD1 LEU 71 19.292 23.773 0.661
584 HD21 LEU 71 3HD2 LEU 71 18.715 26.075 2.404
585 HD22 LEU 71 1HD2 LEU 71 17.819 24.979 3.457
586 HD23 LEU 71 2HD2 LEU 71 17.851 24.699 1.715
587 H GLU 72 H GLU 72 20.900 21.632 6.005
588 HA GLU 72 HA GLU 72 18.875 20.049 7.069
589 HB2 GLU 72 1HB GLU 72 21.029 19.105 6.536
590 HB3 GLU 72 2HB GLU 72 21.822 20.130 7.724
591 HG2 GLU 72 1HG GLU 72 20.509 18.970 9.495
592 HG3 GLU 72 2HG GLU 72 19.921 17.862 8.257
593 H ASN 73 H ASN 73 20.830 22.555 8.569
594 HA ASN 73 HA ASN 73 19.719 22.038 11.197
595 HB2 ASN 73 1HB ASN 73 22.080 22.753 10.923
596 HB3 ASN 73 2HB ASN 73 21.517 24.291 10.275
597 HD21 ASN 73 2HD2 ASN 73 20.710 25.830 11.639
598 HD22 ASN 73 1HD2 ASN 73 20.793 25.706 13.361
599 H LYS 74 H LYS 74 19.064 24.024 8.467
600 HA LYS 74 HA LYS 74 17.587 26.046 9.864
601 HB2 LYS 74 1HB LYS 74 18.374 25.483 7.120
602 HB3 LYS 74 2HB LYS 74 16.717 26.063 7.222
603 HG2 LYS 74 1HG LYS 74 18.203 27.919 6.876
604 HG3 LYS 74 2HG LYS 74 17.506 28.018 8.495
605 HD2 LYS 74 1HD LYS 74 19.650 26.761 9.228
606 HD3 LYS 74 2HD LYS 74 20.296 27.296 7.675
607 HE2 LYS 74 1HE LYS 74 20.947 29.040 9.003
608 HE3 LYS 74 2HE LYS 74 19.371 29.628 8.475
609 HZ1 LYS 74 3HZ LYS 74 19.709 29.888 10.869
610 HZ2 LYS 74 1HZ LYS 74 19.892 28.214 11.035
611 HZ3 LYS 74 2HZ LYS 74 18.410 28.857 10.534
612 H GLY 75 H GLY 75 16.911 22.891 8.651
613 HA2 GLY 75 1HA GLY 75 14.828 21.985 9.770
614 HA3 GLY 75 2HA GLY 75 14.019 23.355 9.025
615 H LYS 76 H LYS 76 16.280 22.508 6.850
616 HA LYS 76 HA LYS 76 14.341 21.095 5.220
617 HB2 LYS 76 1HB LYS 76 16.628 22.783 4.751
618 HB3 LYS 76 2HB LYS 76 16.795 21.284 3.846
619 HG2 LYS 76 1HG LYS 76 15.713 22.895 2.456
620 HG3 LYS 76 2HG LYS 76 14.530 21.664 2.904
621 HD2 LYS 76 1HD LYS 76 13.389 23.093 4.323
622 HD3 LYS 76 2HD LYS 76 14.785 24.149 4.547
623 HE2 LYS 76 1HE LYS 76 13.364 23.870 1.911
624 HE3 LYS 76 2HE LYS 76 12.885 25.053 3.126
625 HZ1 LYS 76 3HZ LYS 76 15.328 25.760 3.040
626 HZ2 LYS 76 1HZ LYS 76 14.325 26.216 1.756
627 HZ3 LYS 76 2HZ LYS 76 15.391 24.915 1.576
628 H LEU 77 H LEU 77 16.251 20.057 7.554
629 HA LEU 77 HA LEU 77 17.895 18.066 6.548
630 HB2 LEU 77 1HB LEU 77 18.110 18.481 8.819
631 HB3 LEU 77 2HB LEU 77 16.373 18.381 9.101
632 HG LEU 77 HG LEU 77 17.774 15.901 8.259
633 HD11 LEU 77 1HD1 LEU 77 19.302 16.830 9.917
634 HD12 LEU 77 2HD1 LEU 77 18.456 15.419 10.550
635 HD13 LEU 77 3HD1 LEU 77 17.962 17.038 11.045
636 HD21 LEU 77 3HD2 LEU 77 15.631 15.331 8.641
637 HD22 LEU 77 1HD2 LEU 77 15.336 16.721 9.685
638 HD23 LEU 77 2HD2 LEU 77 16.145 15.292 10.329
639 H ASP 78 H ASP 78 14.428 17.990 7.209
640 HA ASP 78 HA ASP 78 13.933 15.282 6.882
641 HB2 ASP 78 1HB ASP 78 12.277 17.729 6.323
642 HB3 ASP 78 2HB ASP 78 11.650 16.117 5.989
643 H SER 79 H SER 79 13.933 17.832 4.401
644 HA SER 79 HA SER 79 13.366 16.121 2.231
645 HB2 SER 79 1HB SER 79 13.278 18.723 2.390
646 HB3 SER 79 2HB SER 79 14.974 18.639 1.913
647 HG SER 79 HG SER 79 12.721 17.672 0.490
648 H LEU 80 H LEU 80 16.440 17.458 3.423
649 HA LEU 80 HA LEU 80 18.143 16.336 1.543
650 HB2 LEU 80 1HB LEU 80 18.391 17.393 4.269
651 HB3 LEU 80 2HB LEU 80 19.647 16.245 3.811
652 HG LEU 80 HG LEU 80 20.199 18.675 3.465
653 HD11 LEU 80 1HD1 LEU 80 21.605 17.215 2.346
654 HD12 LEU 80 2HD1 LEU 80 20.993 18.235 1.044
655 HD13 LEU 80 3HD1 LEU 80 20.321 16.624 1.291
656 HD21 LEU 80 3HD2 LEU 80 18.578 18.596 0.973
657 HD22 LEU 80 1HD2 LEU 80 19.130 19.976 1.921
658 HD23 LEU 80 2HD2 LEU 80 17.772 19.004 2.488
659 H LEU 81 H LEU 81 17.137 14.990 4.682
660 HA LEU 81 HA LEU 81 18.546 12.560 4.412
661 HB2 LEU 81 1HB LEU 81 16.648 13.742 6.248
662 HB3 LEU 81 2HB LEU 81 16.328 12.026 6.006
663 HG LEU 81 HG LEU 81 18.906 11.811 6.495
664 HD11 LEU 81 1HD1 LEU 81 18.776 13.816 8.502
665 HD12 LEU 81 2HD1 LEU 81 18.460 14.572 6.941
666 HD13 LEU 81 3HD1 LEU 81 19.939 13.643 7.187
667 HD21 LEU 81 3HD2 LEU 81 17.015 10.857 7.798
668 HD22 LEU 81 1HD2 LEU 81 16.940 12.363 8.713
669 HD23 LEU 81 2HD2 LEU 81 18.385 11.354 8.793
670 H GLN 82 H GLN 82 15.324 13.574 3.443
671 HA GLN 82 HA GLN 82 14.363 10.990 2.764
672 HB2 GLN 82 1HB GLN 82 12.825 12.824 3.180
673 HB3 GLN 82 2HB GLN 82 13.492 13.728 1.828
674 HG2 GLN 82 1HG GLN 82 12.574 12.243 0.248
675 HG3 GLN 82 2HG GLN 82 12.198 11.044 1.484
676 HE21 GLN 82 2HE2 GLN 82 11.196 13.928 -0.102
677 HE22 GLN 82 1HE2 GLN 82 9.646 14.062 0.647
678 H ASP 83 H ASP 83 16.325 13.337 1.125
679 HA ASP 83 HA ASP 83 15.982 12.161 -1.486
680 HB2 ASP 83 1HB ASP 83 17.819 14.297 -0.405
681 HB3 ASP 83 2HB ASP 83 17.908 13.723 -2.068
682 H VAL 84 H VAL 84 18.514 12.225 0.996
683 HA VAL 84 HA VAL 84 20.317 10.574 -0.482
684 HB VAL 84 HB VAL 84 21.615 10.438 1.580
685 HG11 VAL 84 1HG1 VAL 84 21.754 12.976 2.022
686 HG12 VAL 84 2HG1 VAL 84 22.107 12.380 0.398
687 HG13 VAL 84 3HG1 VAL 84 20.539 13.108 0.751
688 HG21 VAL 84 3HG2 VAL 84 19.110 11.541 2.791
689 HG22 VAL 84 1HG2 VAL 84 20.108 10.188 3.324
690 HG23 VAL 84 2HG2 VAL 84 20.675 11.844 3.545
691 H HIS 85 H HIS 85 17.706 9.997 1.743
692 HA HIS 85 HA HIS 85 18.300 7.443 2.652
693 HB2 HIS 85 1HB HIS 85 16.424 8.685 3.545
694 HB3 HIS 85 2HB HIS 85 15.616 8.664 1.980
695 HD1 HIS 85 HD1 HIS 85 13.609 7.255 2.381
696 HD2 HIS 85 HD2 HIS 85 17.061 5.535 3.925
697 HE1 HIS 85 HE1 HIS 85 12.921 4.975 3.189
Start of MODEL 14
1 H1 GLY -3 H GLY -3 1.417 5.102 2.626
2 HA2 GLY -3 1HA GLY -3 3.633 4.453 2.563
3 HA3 GLY -3 2HA GLY -3 3.373 4.540 0.827
4 HA PRO -2 HA PRO -2 5.322 8.766 2.203
5 HB2 PRO -2 1HB PRO -2 6.422 8.801 4.685
6 HB3 PRO -2 2HB PRO -2 4.746 9.267 4.370
7 HG2 PRO -2 1HG PRO -2 5.830 6.672 5.397
8 HG3 PRO -2 2HG PRO -2 4.411 7.586 5.942
9 HD2 PRO -2 1HD PRO -2 4.219 5.430 4.314
10 HD3 PRO -2 2HD PRO -2 3.088 6.796 4.228
11 H GLY -1 H GLY -1 6.767 7.823 0.634
12 HA2 GLY -1 1HA GLY -1 9.412 8.002 1.066
13 HA3 GLY -1 2HA GLY -1 9.081 6.359 1.594
14 H SER 0 H SER 0 10.692 7.390 -0.665
15 HA SER 0 HA SER 0 9.602 5.612 -2.687
16 HB2 SER 0 1HB SER 0 10.262 7.603 -4.368
17 HB3 SER 0 2HB SER 0 8.631 7.401 -3.727
18 HG SER 0 HG SER 0 10.460 8.895 -2.234
19 H MET 1 H MET 1 11.177 5.375 -4.546
20 HA MET 1 HA MET 1 13.743 4.769 -3.500
21 HB2 MET 1 1HB MET 1 12.626 4.777 -6.300
22 HB3 MET 1 2HB MET 1 14.284 4.312 -5.947
23 HG2 MET 1 1HG MET 1 13.367 2.581 -4.386
24 HG3 MET 1 2HG MET 1 11.765 2.970 -5.010
25 HE1 MET 1 3HE MET 1 12.096 2.400 -8.706
26 HE2 MET 1 1HE MET 1 10.980 1.492 -7.685
27 HE3 MET 1 2HE MET 1 11.290 3.197 -7.353
28 H LYS 2 H LYS 2 14.654 6.678 -2.720
29 HA LYS 2 HA LYS 2 15.324 8.711 -4.740
30 HB2 LYS 2 1HB LYS 2 15.325 8.934 -1.723
31 HB3 LYS 2 2HB LYS 2 15.728 10.228 -2.844
32 HG2 LYS 2 1HG LYS 2 13.085 8.914 -3.139
33 HG3 LYS 2 2HG LYS 2 13.328 9.999 -1.768
34 HD2 LYS 2 1HD LYS 2 12.686 11.575 -3.253
35 HD3 LYS 2 2HD LYS 2 14.378 11.494 -3.751
36 HE2 LYS 2 1HE LYS 2 13.325 11.267 -5.776
37 HE3 LYS 2 2HE LYS 2 13.503 9.576 -5.309
38 HZ1 LYS 2 3HZ LYS 2 11.316 9.589 -5.852
39 HZ2 LYS 2 1HZ LYS 2 11.093 11.220 -5.460
40 HZ3 LYS 2 2HZ LYS 2 11.159 10.056 -4.234
41 H GLU 3 H GLU 3 17.451 9.482 -4.904
42 HA GLU 3 HA GLU 3 19.523 8.052 -3.416
43 HB2 GLU 3 1HB GLU 3 20.761 7.478 -5.416
44 HB3 GLU 3 2HB GLU 3 19.148 6.784 -5.507
45 HG2 GLU 3 1HG GLU 3 19.833 9.400 -6.803
46 HG3 GLU 3 2HG GLU 3 20.079 7.852 -7.611
47 H ILE 4 H ILE 4 21.466 9.163 -3.216
48 HA ILE 4 HA ILE 4 21.338 11.991 -4.014
49 HB ILE 4 HB ILE 4 21.498 11.429 -1.561
50 HG12 ILE 4 1HG1 ILE 4 22.403 13.553 -2.865
51 HG13 ILE 4 2HG1 ILE 4 22.684 13.354 -1.139
52 HG21 ILE 4 1HG2 ILE 4 22.996 9.537 -1.694
53 HG22 ILE 4 2HG2 ILE 4 24.268 10.555 -2.367
54 HG23 ILE 4 3HG2 ILE 4 23.726 10.803 -0.707
55 HD11 ILE 4 3HD1 ILE 4 24.685 12.347 -3.109
56 HD12 ILE 4 1HD1 ILE 4 24.632 14.056 -2.680
57 HD13 ILE 4 2HD1 ILE 4 24.912 12.841 -1.432
58 H ILE 5 H ILE 5 22.929 12.912 -5.202
59 HA ILE 5 HA ILE 5 25.298 11.292 -5.840
60 HB ILE 5 HB ILE 5 23.950 12.942 -7.955
61 HG12 ILE 5 1HG1 ILE 5 23.440 10.024 -7.333
62 HG13 ILE 5 2HG1 ILE 5 22.275 11.335 -7.181
63 HG21 ILE 5 1HG2 ILE 5 25.413 10.482 -8.614
64 HG22 ILE 5 2HG2 ILE 5 25.481 12.080 -9.356
65 HG23 ILE 5 3HG2 ILE 5 26.384 11.756 -7.877
66 HD11 ILE 5 3HD1 ILE 5 21.770 10.197 -9.182
67 HD12 ILE 5 1HD1 ILE 5 22.549 11.708 -9.652
68 HD13 ILE 5 2HD1 ILE 5 23.458 10.197 -9.693
69 H LEU 6 H LEU 6 27.066 12.382 -5.324
70 HA LEU 6 HA LEU 6 26.966 15.308 -5.218
71 HB2 LEU 6 1HB LEU 6 29.049 15.120 -3.920
72 HB3 LEU 6 2HB LEU 6 27.701 14.251 -3.190
73 HG LEU 6 HG LEU 6 28.905 12.279 -4.640
74 HD11 LEU 6 1HD1 LEU 6 31.225 12.418 -4.533
75 HD12 LEU 6 2HD1 LEU 6 31.190 13.772 -3.404
76 HD13 LEU 6 3HD1 LEU 6 30.740 14.019 -5.091
77 HD21 LEU 6 3HD2 LEU 6 28.233 11.844 -2.451
78 HD22 LEU 6 1HD2 LEU 6 29.186 13.174 -1.793
79 HD23 LEU 6 2HD2 LEU 6 29.991 11.718 -2.379
80 H TYR 7 H TYR 7 27.889 16.492 -6.749
81 HA TYR 7 HA TYR 7 29.680 15.174 -8.658
82 HB2 TYR 7 1HB TYR 7 28.079 17.729 -8.805
83 HB3 TYR 7 2HB TYR 7 29.256 17.264 -10.029
84 HD1 TYR 7 HD1 TYR 7 26.008 16.430 -8.512
85 HD2 TYR 7 HD2 TYR 7 28.775 15.526 -11.616
86 HE1 TYR 7 HE1 TYR 7 24.285 15.095 -9.651
87 HE2 TYR 7 HE2 TYR 7 27.059 14.190 -12.764
88 HH TYR 7 HH TYR 7 23.813 13.784 -11.377
89 H THR 8 H THR 8 31.744 15.297 -8.034
90 HA THR 8 HA THR 8 33.191 17.671 -8.092
91 HB THR 8 HB THR 8 33.742 17.248 -5.408
92 HG1 THR 8 HG1 THR 8 31.859 16.129 -5.011
93 HG21 THR 8 3HG2 THR 8 33.246 19.357 -7.006
94 HG22 THR 8 1HG2 THR 8 33.338 19.473 -5.250
95 HG23 THR 8 2HG2 THR 8 31.768 19.353 -6.045
96 H ARG 9 H ARG 9 35.404 17.317 -6.784
97 HA ARG 9 HA ARG 9 36.238 14.555 -7.379
98 HB2 ARG 9 1HB ARG 9 38.554 15.649 -7.607
99 HB3 ARG 9 2HB ARG 9 37.390 15.914 -8.898
100 HG2 ARG 9 1HG ARG 9 37.499 17.898 -6.693
101 HG3 ARG 9 2HG ARG 9 38.811 17.885 -7.875
102 HD2 ARG 9 1HD ARG 9 36.157 17.713 -9.077
103 HD3 ARG 9 2HD ARG 9 36.411 19.191 -8.150
104 HE ARG 9 HE ARG 9 38.549 18.551 -9.972
105 HH11 ARG 9 1HH1 ARG 9 35.494 20.170 -9.567
106 HH12 ARG 9 2HH1 ARG 9 35.754 21.268 -10.881
107 HH21 ARG 9 1HH2 ARG 9 38.903 19.992 -11.705
108 HH22 ARG 9 2HH2 ARG 9 37.693 21.165 -12.097
109 HA PRO 10 HA PRO 10 37.572 13.960 -3.242
110 HB2 PRO 10 1HB PRO 10 39.830 12.491 -3.583
111 HB3 PRO 10 2HB PRO 10 38.210 11.841 -3.863
112 HG2 PRO 10 1HG PRO 10 40.203 12.879 -5.841
113 HG3 PRO 10 2HG PRO 10 39.173 11.439 -5.941
114 HD2 PRO 10 1HD PRO 10 38.570 13.752 -7.212
115 HD3 PRO 10 2HD PRO 10 37.324 12.652 -6.589
116 H ASN 11 H ASN 11 39.274 15.912 -5.352
117 HA ASN 11 HA ASN 11 41.628 16.401 -3.820
118 HB2 ASN 11 1HB ASN 11 40.272 17.830 -6.093
119 HB3 ASN 11 2HB ASN 11 41.660 18.543 -5.276
120 HD21 ASN 11 2HD2 ASN 11 43.615 17.982 -5.939
121 HD22 ASN 11 1HD2 ASN 11 43.980 16.657 -6.985
122 H CYS 12 H CYS 12 38.654 18.306 -4.320
123 HA CYS 12 HA CYS 12 39.246 20.340 -2.497
124 HB2 CYS 12 1HB CYS 12 36.809 20.786 -2.496
125 HB3 CYS 12 2HB CYS 12 37.453 20.568 -4.120
126 HA PRO 13 HA PRO 13 38.971 18.018 1.296
127 HB2 PRO 13 1HB PRO 13 39.450 20.125 2.940
128 HB3 PRO 13 2HB PRO 13 40.726 19.306 2.030
129 HG2 PRO 13 1HG PRO 13 39.289 21.856 1.402
130 HG3 PRO 13 2HG PRO 13 41.017 21.483 1.267
131 HD2 PRO 13 1HD PRO 13 39.355 21.476 -0.870
132 HD3 PRO 13 2HD PRO 13 40.754 20.390 -0.744
133 H TYR 14 H TYR 14 37.325 21.126 0.817
134 HA TYR 14 HA TYR 14 35.561 21.081 2.937
135 HB2 TYR 14 1HB TYR 14 35.891 22.606 0.610
136 HB3 TYR 14 2HB TYR 14 34.232 22.021 0.544
137 HD1 TYR 14 HD2 TYR 14 33.313 22.042 3.257
138 HD2 TYR 14 HD1 TYR 14 35.896 24.805 1.309
139 HE1 TYR 14 HE2 TYR 14 32.629 23.791 4.845
140 HE2 TYR 14 HE1 TYR 14 35.221 26.562 2.892
141 HH TYR 14 HH TYR 14 32.787 25.937 5.401
142 H CYS 15 H CYS 15 35.342 19.417 -0.161
143 HA CYS 15 HA CYS 15 32.718 18.540 -0.083
144 HB2 CYS 15 1HB CYS 15 35.092 16.960 -1.092
145 HB3 CYS 15 2HB CYS 15 33.411 16.745 -1.570
146 H LYS 16 H LYS 16 35.439 17.517 1.798
147 HA LYS 16 HA LYS 16 34.723 14.970 2.589
148 HB2 LYS 16 1HB LYS 16 36.051 17.180 4.160
149 HB3 LYS 16 2HB LYS 16 35.914 15.527 4.745
150 HG2 LYS 16 1HG LYS 16 37.277 14.708 2.967
151 HG3 LYS 16 2HG LYS 16 37.261 16.278 2.161
152 HD2 LYS 16 1HD LYS 16 38.806 17.168 3.571
153 HD3 LYS 16 2HD LYS 16 38.252 16.216 4.951
154 HE2 LYS 16 1HE LYS 16 39.563 14.803 2.683
155 HE3 LYS 16 2HE LYS 16 40.573 15.741 3.782
156 HZ1 LYS 16 3HZ LYS 16 39.006 14.344 5.473
157 HZ2 LYS 16 1HZ LYS 16 40.569 13.892 5.007
158 HZ3 LYS 16 2HZ LYS 16 39.227 13.233 4.216
159 H ARG 17 H ARG 17 33.409 18.053 3.600
160 HA ARG 17 HA ARG 17 32.011 17.176 5.881
161 HB2 ARG 17 1HB ARG 17 31.810 19.521 4.044
162 HB3 ARG 17 2HB ARG 17 30.482 19.214 5.155
163 HG2 ARG 17 1HG ARG 17 31.999 20.785 6.146
164 HG3 ARG 17 2HG ARG 17 32.088 19.261 7.031
165 HD2 ARG 17 1HD ARG 17 34.145 18.681 5.977
166 HD3 ARG 17 2HD ARG 17 34.004 20.018 4.836
167 HE ARG 17 HE ARG 17 34.039 20.990 7.491
168 HH11 ARG 17 1HH1 ARG 17 36.109 19.625 5.048
169 HH12 ARG 17 2HH1 ARG 17 37.540 20.401 5.641
170 HH21 ARG 17 1HH2 ARG 17 35.916 22.018 8.282
171 HH22 ARG 17 2HH2 ARG 17 37.429 21.761 7.481
172 H ALA 18 H ALA 18 30.890 17.658 2.532
173 HA ALA 18 HA ALA 18 28.270 16.761 2.903
174 HB1 ALA 18 1HB ALA 18 29.896 16.471 0.383
175 HB2 ALA 18 2HB ALA 18 28.140 16.562 0.520
176 HB3 ALA 18 3HB ALA 18 29.128 17.972 0.903
177 H ARG 19 H ARG 19 31.028 14.945 1.541
178 HA ARG 19 HA ARG 19 29.784 12.477 1.328
179 HB2 ARG 19 1HB ARG 19 31.959 11.519 1.163
180 HB3 ARG 19 2HB ARG 19 32.052 13.118 0.438
181 HG2 ARG 19 1HG ARG 19 33.057 13.990 2.489
182 HG3 ARG 19 2HG ARG 19 32.971 12.381 3.208
183 HD2 ARG 19 1HD ARG 19 35.207 12.989 2.268
184 HD3 ARG 19 2HD ARG 19 34.513 11.504 1.617
185 HE ARG 19 HE ARG 19 33.958 13.860 0.053
186 HH11 ARG 19 1HH1 ARG 19 36.167 11.230 0.623
187 HH12 ARG 19 2HH1 ARG 19 36.852 11.288 -0.968
188 HH21 ARG 19 1HH2 ARG 19 34.851 13.946 -2.044
189 HH22 ARG 19 2HH2 ARG 19 36.103 12.834 -2.484
190 H ASP 20 H ASP 20 31.290 14.000 4.115
191 HA ASP 20 HA ASP 20 31.257 11.714 5.796
192 HB2 ASP 20 1HB ASP 20 32.724 13.496 6.390
193 HB3 ASP 20 2HB ASP 20 31.412 14.672 6.374
194 H LEU 21 H LEU 21 28.958 14.302 5.162
195 HA LEU 21 HA LEU 21 27.170 13.783 7.261
196 HB2 LEU 21 1HB LEU 21 27.240 15.779 5.691
197 HB3 LEU 21 2HB LEU 21 26.379 14.768 4.532
198 HG LEU 21 HG LEU 21 25.148 14.980 7.204
199 HD11 LEU 21 1HD1 LEU 21 24.149 17.225 6.001
200 HD12 LEU 21 2HD1 LEU 21 25.874 17.342 5.653
201 HD13 LEU 21 3HD1 LEU 21 25.319 17.204 7.321
202 HD21 LEU 21 3HD2 LEU 21 24.041 13.757 5.462
203 HD22 LEU 21 1HD2 LEU 21 24.162 15.129 4.360
204 HD23 LEU 21 2HD2 LEU 21 23.124 15.230 5.783
205 H LEU 22 H LEU 22 27.028 12.723 3.858
206 HA LEU 22 HA LEU 22 24.772 11.081 4.144
207 HB2 LEU 22 1HB LEU 22 27.064 10.918 2.195
208 HB3 LEU 22 2HB LEU 22 25.570 9.994 2.055
209 HG LEU 22 HG LEU 22 24.993 11.672 0.669
210 HD11 LEU 22 1HD1 LEU 22 23.540 11.887 2.686
211 HD12 LEU 22 2HD1 LEU 22 23.680 13.361 1.727
212 HD13 LEU 22 3HD1 LEU 22 24.585 13.199 3.232
213 HD21 LEU 22 3HD2 LEU 22 26.288 13.455 0.258
214 HD22 LEU 22 1HD2 LEU 22 27.405 12.707 1.400
215 HD23 LEU 22 2HD2 LEU 22 26.295 13.964 1.947
216 H ASP 23 H ASP 23 28.234 10.284 4.249
217 HA ASP 23 HA ASP 23 27.912 7.524 4.694
218 HB2 ASP 23 1HB ASP 23 30.056 8.148 4.008
219 HB3 ASP 23 2HB ASP 23 30.150 9.466 5.172
220 H LYS 24 H LYS 24 27.714 10.266 6.808
221 HA LYS 24 HA LYS 24 28.048 8.824 9.253
222 HB2 LYS 24 1HB LYS 24 28.509 11.185 9.232
223 HB3 LYS 24 2HB LYS 24 26.891 11.547 8.644
224 HG2 LYS 24 1HG LYS 24 26.986 10.068 11.178
225 HG3 LYS 24 2HG LYS 24 27.654 11.701 11.232
226 HD2 LYS 24 1HD LYS 24 25.057 11.345 9.847
227 HD3 LYS 24 2HD LYS 24 25.060 11.188 11.606
228 HE2 LYS 24 1HE LYS 24 26.404 13.515 10.288
229 HE3 LYS 24 2HE LYS 24 24.657 13.515 10.525
230 HZ1 LYS 24 3HZ LYS 24 26.258 12.802 12.843
231 HZ2 LYS 24 1HZ LYS 24 24.869 13.763 12.738
232 HZ3 LYS 24 2HZ LYS 24 26.378 14.411 12.335
233 H LYS 25 H LYS 25 25.270 9.921 7.360
234 HA LYS 25 HA LYS 25 23.312 9.038 9.229
235 HB2 LYS 25 1HB LYS 25 23.076 9.625 6.272
236 HB3 LYS 25 2HB LYS 25 21.718 9.368 7.359
237 HG2 LYS 25 1HG LYS 25 23.712 11.619 7.456
238 HG3 LYS 25 2HG LYS 25 22.008 11.719 7.006
239 HD2 LYS 25 1HD LYS 25 23.085 10.954 9.721
240 HD3 LYS 25 2HD LYS 25 22.367 12.508 9.291
241 HE2 LYS 25 1HE LYS 25 20.335 11.050 8.558
242 HE3 LYS 25 2HE LYS 25 21.065 9.834 9.606
243 HZ1 LYS 25 3HZ LYS 25 20.883 11.273 11.463
244 HZ2 LYS 25 1HZ LYS 25 19.376 11.287 10.693
245 HZ3 LYS 25 2HZ LYS 25 20.436 12.591 10.501
246 H GLY 26 H GLY 26 24.991 7.553 6.541
247 HA2 GLY 26 1HA GLY 26 25.296 5.184 6.451
248 HA3 GLY 26 2HA GLY 26 23.763 4.989 7.288
249 H VAL 27 H VAL 27 24.808 6.679 4.325
250 HA VAL 27 HA VAL 27 22.767 5.151 2.852
251 HB VAL 27 HB VAL 27 22.663 7.357 1.416
252 HG11 VAL 27 1HG1 VAL 27 20.753 6.326 2.503
253 HG12 VAL 27 2HG1 VAL 27 21.233 7.024 4.052
254 HG13 VAL 27 3HG1 VAL 27 20.715 8.074 2.732
255 HG21 VAL 27 3HG2 VAL 27 24.388 8.524 2.723
256 HG22 VAL 27 1HG2 VAL 27 22.843 9.375 2.755
257 HG23 VAL 27 2HG2 VAL 27 23.357 8.427 4.151
258 H LYS 28 H LYS 28 23.120 5.405 0.410
259 HA LYS 28 HA LYS 28 25.994 5.073 -0.121
260 HB2 LYS 28 1HB LYS 28 23.541 3.772 -1.180
261 HB3 LYS 28 2HB LYS 28 24.872 4.005 -2.307
262 HG2 LYS 28 1HG LYS 28 25.435 1.959 -1.522
263 HG3 LYS 28 2HG LYS 28 26.250 2.942 -0.304
264 HD2 LYS 28 1HD LYS 28 25.106 1.405 0.994
265 HD3 LYS 28 2HD LYS 28 23.991 2.773 0.970
266 HE2 LYS 28 1HE LYS 28 22.608 0.963 0.521
267 HE3 LYS 28 2HE LYS 28 22.959 1.599 -1.085
268 HZ1 LYS 28 3HZ LYS 28 24.539 -0.594 0.118
269 HZ2 LYS 28 1HZ LYS 28 24.466 -0.125 -1.506
270 HZ3 LYS 28 2HZ LYS 28 23.139 -0.886 -0.785
271 H TYR 29 H TYR 29 26.558 7.192 -0.550
272 HA TYR 29 HA TYR 29 25.062 8.733 -2.493
273 HB2 TYR 29 1HB TYR 29 26.769 10.477 -2.059
274 HB3 TYR 29 2HB TYR 29 26.000 9.903 -0.584
275 HD1 TYR 29 HD2 TYR 29 29.069 9.575 -2.648
276 HD2 TYR 29 HD1 TYR 29 27.286 9.022 1.175
277 HE1 TYR 29 HE2 TYR 29 31.281 9.084 -1.693
278 HE2 TYR 29 HE1 TYR 29 29.494 8.531 2.141
279 HH TYR 29 HH TYR 29 31.973 7.579 0.672
280 H THR 30 H THR 30 25.749 9.318 -4.529
281 HA THR 30 HA THR 30 27.823 7.599 -5.677
282 HB THR 30 HB THR 30 25.681 9.258 -7.020
283 HG1 THR 30 HG1 THR 30 24.699 7.296 -7.367
284 HG21 THR 30 3HG2 THR 30 27.744 7.402 -8.212
285 HG22 THR 30 1HG2 THR 30 27.648 9.148 -8.441
286 HG23 THR 30 2HG2 THR 30 26.384 8.102 -9.089
287 H ASP 31 H ASP 31 29.793 8.458 -5.724
288 HA ASP 31 HA ASP 31 30.179 11.325 -5.842
289 HB2 ASP 31 1HB ASP 31 32.589 10.759 -5.655
290 HB3 ASP 31 2HB ASP 31 31.620 10.040 -4.372
291 H ILE 32 H ILE 32 30.061 12.331 -7.733
292 HA ILE 32 HA ILE 32 30.793 10.917 -10.182
293 HB ILE 32 HB ILE 32 29.602 13.677 -9.934
294 HG12 ILE 32 1HG1 ILE 32 28.154 11.945 -8.892
295 HG13 ILE 32 2HG1 ILE 32 27.431 12.667 -10.325
296 HG21 ILE 32 1HG2 ILE 32 30.012 13.750 -12.118
297 HG22 ILE 32 2HG2 ILE 32 30.528 12.065 -12.138
298 HG23 ILE 32 3HG2 ILE 32 28.820 12.465 -12.315
299 HD11 ILE 32 3HD1 ILE 32 28.925 10.065 -10.393
300 HD12 ILE 32 1HD1 ILE 32 27.192 10.176 -10.087
301 HD13 ILE 32 2HD1 ILE 32 27.855 10.744 -11.619
302 H ASP 33 H ASP 33 32.705 11.183 -11.111
303 HA ASP 33 HA ASP 33 34.706 12.863 -10.068
304 HB2 ASP 33 1HB ASP 33 34.438 11.192 -12.538
305 HB3 ASP 33 2HB ASP 33 35.792 12.311 -12.399
306 H ALA 34 H ALA 34 35.571 14.792 -10.769
307 HA ALA 34 HA ALA 34 33.877 16.747 -11.748
308 HB1 ALA 34 1HB ALA 34 36.613 17.342 -12.441
309 HB2 ALA 34 2HB ALA 34 35.573 18.084 -11.225
310 HB3 ALA 34 3HB ALA 34 36.503 16.639 -10.827
311 H SER 35 H SER 35 35.672 14.363 -13.475
312 HA SER 35 HA SER 35 36.106 15.483 -15.941
313 HB2 SER 35 1HB SER 35 35.023 12.690 -15.520
314 HB3 SER 35 2HB SER 35 36.015 13.257 -16.864
315 HG SER 35 HG SER 35 37.655 13.708 -15.234
316 H THR 36 H THR 36 34.697 16.808 -16.914
317 HA THR 36 HA THR 36 31.915 16.697 -16.777
318 HB THR 36 HB THR 36 31.956 18.094 -18.878
319 HG1 THR 36 HG1 THR 36 34.781 17.934 -18.553
320 HG21 THR 36 3HG2 THR 36 33.914 19.074 -16.810
321 HG22 THR 36 1HG2 THR 36 32.180 18.973 -16.507
322 HG23 THR 36 2HG2 THR 36 32.793 20.023 -17.786
323 H SER 37 H SER 37 34.132 14.865 -18.686
324 HA SER 37 HA SER 37 32.670 14.145 -20.899
325 HB2 SER 37 1HB SER 37 33.879 11.879 -20.643
326 HB3 SER 37 2HB SER 37 34.874 13.326 -20.799
327 HG SER 37 HG SER 37 35.120 11.602 -18.947
328 H LEU 38 H LEU 38 32.254 13.120 -17.586
329 HA LEU 38 HA LEU 38 29.909 11.544 -18.422
330 HB2 LEU 38 1HB LEU 38 32.097 10.919 -16.533
331 HB3 LEU 38 2HB LEU 38 30.470 10.455 -16.038
332 HG LEU 38 HG LEU 38 31.696 8.614 -17.109
333 HD11 LEU 38 1HD1 LEU 38 29.914 7.843 -18.407
334 HD12 LEU 38 2HD1 LEU 38 29.481 9.465 -18.944
335 HD13 LEU 38 3HD1 LEU 38 29.170 8.976 -17.279
336 HD21 LEU 38 3HD2 LEU 38 31.460 9.798 -19.795
337 HD22 LEU 38 1HD2 LEU 38 32.701 8.741 -19.121
338 HD23 LEU 38 2HD2 LEU 38 32.730 10.470 -18.772
339 H ARG 39 H ARG 39 31.312 13.756 -16.095
340 HA ARG 39 HA ARG 39 29.121 13.881 -14.318
341 HB2 ARG 39 1HB ARG 39 31.106 14.746 -13.452
342 HB3 ARG 39 2HB ARG 39 31.451 15.674 -14.906
343 HG2 ARG 39 1HG ARG 39 29.011 16.419 -13.421
344 HG3 ARG 39 2HG ARG 39 30.555 16.769 -12.641
345 HD2 ARG 39 1HD ARG 39 31.114 17.692 -15.076
346 HD3 ARG 39 2HD ARG 39 29.364 17.903 -15.109
347 HE ARG 39 HE ARG 39 29.633 19.694 -13.734
348 HH11 ARG 39 1HH1 ARG 39 32.383 17.594 -13.348
349 HH12 ARG 39 2HH1 ARG 39 33.206 18.657 -12.256
350 HH21 ARG 39 1HH2 ARG 39 30.708 21.103 -12.297
351 HH22 ARG 39 2HH2 ARG 39 32.252 20.652 -11.658
352 H GLN 40 H GLN 40 29.987 15.777 -17.180
353 HA GLN 40 HA GLN 40 27.906 17.663 -16.986
354 HB2 GLN 40 1HB GLN 40 30.023 17.646 -18.492
355 HB3 GLN 40 2HB GLN 40 29.018 16.743 -19.618
356 HG2 GLN 40 1HG GLN 40 27.377 18.606 -19.555
357 HG3 GLN 40 2HG GLN 40 28.517 19.515 -18.564
358 HE21 GLN 40 2HE2 GLN 40 27.983 20.884 -20.604
359 HE22 GLN 40 1HE2 GLN 40 29.137 20.756 -21.884
360 H GLU 41 H GLU 41 28.119 14.547 -18.657
361 HA GLU 41 HA GLU 41 25.581 14.692 -19.896
362 HB2 GLU 41 1HB GLU 41 26.900 12.109 -19.105
363 HB3 GLU 41 2HB GLU 41 25.901 12.447 -20.512
364 HG2 GLU 41 1HG GLU 41 28.733 13.317 -20.017
365 HG3 GLU 41 2HG GLU 41 28.138 12.217 -21.259
366 H MET 42 H MET 42 26.681 13.313 -16.829
367 HA MET 42 HA MET 42 24.184 12.175 -16.111
368 HB2 MET 42 1HB MET 42 26.744 12.069 -15.109
369 HB3 MET 42 2HB MET 42 25.896 12.999 -13.881
370 HG2 MET 42 1HG MET 42 25.357 11.011 -13.035
371 HG3 MET 42 2HG MET 42 24.149 10.966 -14.318
372 HE1 MET 42 3HE MET 42 28.324 9.092 -14.667
373 HE2 MET 42 1HE MET 42 27.922 10.679 -14.012
374 HE3 MET 42 2HE MET 42 27.602 9.228 -13.063
375 H VAL 43 H VAL 43 25.814 15.173 -15.086
376 HA VAL 43 HA VAL 43 23.744 16.118 -13.441
377 HB VAL 43 HB VAL 43 26.127 16.984 -13.550
378 HG11 VAL 43 1HG1 VAL 43 25.003 18.602 -15.835
379 HG12 VAL 43 2HG1 VAL 43 26.595 18.800 -15.098
380 HG13 VAL 43 3HG1 VAL 43 26.208 17.323 -15.980
381 HG21 VAL 43 3HG2 VAL 43 25.455 19.296 -12.960
382 HG22 VAL 43 1HG2 VAL 43 23.835 18.945 -13.563
383 HG23 VAL 43 2HG2 VAL 43 24.468 18.065 -12.171
384 H GLN 44 H GLN 44 24.233 16.277 -16.893
385 HA GLN 44 HA GLN 44 22.268 18.296 -17.379
386 HB2 GLN 44 1HB GLN 44 23.854 16.414 -19.073
387 HB3 GLN 44 2HB GLN 44 22.451 17.209 -19.775
388 HG2 GLN 44 1HG GLN 44 23.393 19.380 -19.289
389 HG3 GLN 44 2HG GLN 44 24.766 18.628 -18.478
390 HE21 GLN 44 2HE2 GLN 44 25.601 16.713 -20.076
391 HE22 GLN 44 1HE2 GLN 44 26.046 17.317 -21.632
392 H ARG 45 H ARG 45 22.313 14.757 -17.642
393 HA ARG 45 HA ARG 45 19.552 14.626 -18.433
394 HB2 ARG 45 1HB ARG 45 21.277 12.951 -19.123
395 HB3 ARG 45 2HB ARG 45 21.339 12.394 -17.457
396 HG2 ARG 45 1HG ARG 45 19.037 11.689 -17.559
397 HG3 ARG 45 2HG ARG 45 18.874 12.360 -19.183
398 HD2 ARG 45 1HD ARG 45 19.184 9.941 -19.255
399 HD3 ARG 45 2HD ARG 45 20.539 10.779 -20.010
400 HE ARG 45 HE ARG 45 21.320 10.387 -17.420
401 HH11 ARG 45 1HH1 ARG 45 20.237 8.335 -20.015
402 HH12 ARG 45 2HH1 ARG 45 21.160 6.966 -19.492
403 HH21 ARG 45 1HH2 ARG 45 22.539 8.591 -16.720
404 HH22 ARG 45 2HH2 ARG 45 22.468 7.112 -17.617
405 H ALA 46 H ALA 46 21.134 15.070 -15.507
406 HA ALA 46 HA ALA 46 19.056 13.770 -13.915
407 HB1 ALA 46 1HB ALA 46 20.498 14.507 -11.984
408 HB2 ALA 46 2HB ALA 46 21.239 13.355 -13.096
409 HB3 ALA 46 3HB ALA 46 21.671 15.063 -13.178
410 H ASN 47 H ASN 47 20.392 16.977 -14.576
411 HA ASN 47 HA ASN 47 18.179 18.178 -13.061
412 HB2 ASN 47 1HB ASN 47 19.947 19.321 -12.214
413 HB3 ASN 47 2HB ASN 47 20.967 18.977 -13.608
414 HD21 ASN 47 2HD2 ASN 47 21.423 20.610 -14.891
415 HD22 ASN 47 1HD2 ASN 47 20.546 22.095 -14.996
416 H GLY 48 H GLY 48 19.917 18.432 -16.153
417 HA2 GLY 48 1HA GLY 48 18.181 18.476 -18.052
418 HA3 GLY 48 2HA GLY 48 17.631 19.935 -17.242
419 H ARG 49 H ARG 49 20.257 20.870 -16.516
420 HA ARG 49 HA ARG 49 21.995 21.064 -18.709
421 HB2 ARG 49 1HB ARG 49 20.238 22.236 -19.860
422 HB3 ARG 49 2HB ARG 49 19.963 23.285 -18.476
423 HG2 ARG 49 1HG ARG 49 22.212 24.241 -18.787
424 HG3 ARG 49 2HG ARG 49 22.414 23.234 -20.222
425 HD2 ARG 49 1HD ARG 49 20.100 25.124 -19.923
426 HD3 ARG 49 2HD ARG 49 21.656 25.656 -20.560
427 HE ARG 49 HE ARG 49 20.775 23.355 -21.941
428 HH11 ARG 49 1HH1 ARG 49 20.124 26.760 -21.618
429 HH12 ARG 49 2HH1 ARG 49 19.498 26.926 -23.225
430 HH21 ARG 49 1HH2 ARG 49 19.953 23.560 -24.059
431 HH22 ARG 49 2HH2 ARG 49 19.401 25.105 -24.612
432 H ASN 50 H ASN 50 23.480 20.858 -17.020
433 HA ASN 50 HA ASN 50 23.810 23.274 -15.364
434 HB2 ASN 50 1HB ASN 50 23.275 20.856 -14.337
435 HB3 ASN 50 2HB ASN 50 25.025 20.711 -14.469
436 HD21 ASN 50 2HD2 ASN 50 22.493 21.784 -12.588
437 HD22 ASN 50 1HD2 ASN 50 23.383 22.765 -11.478
438 H THR 51 H THR 51 26.015 23.846 -14.825
439 HA THR 51 HA THR 51 28.118 22.668 -16.461
440 HB THR 51 HB THR 51 27.149 24.448 -17.882
441 HG1 THR 51 HG1 THR 51 29.321 24.098 -18.190
442 HG21 THR 51 3HG2 THR 51 27.099 26.704 -17.270
443 HG22 THR 51 1HG2 THR 51 28.188 26.455 -15.906
444 HG23 THR 51 2HG2 THR 51 26.526 25.870 -15.825
445 H PHE 52 H PHE 52 27.465 22.918 -13.585
446 HA PHE 52 HA PHE 52 30.077 23.834 -12.721
447 HB2 PHE 52 1HB PHE 52 28.998 25.167 -10.830
448 HB3 PHE 52 2HB PHE 52 28.952 25.896 -12.432
449 HD1 PHE 52 HD1 PHE 52 26.861 26.030 -13.678
450 HD2 PHE 52 HD2 PHE 52 26.997 24.434 -9.735
451 HE1 PHE 52 HE1 PHE 52 24.417 26.252 -13.507
452 HE2 PHE 52 HE2 PHE 52 24.553 24.653 -9.558
453 HZ PHE 52 HZ PHE 52 23.259 25.562 -11.445
454 HA PRO 53 HA PRO 53 29.677 20.382 -10.030
455 HB2 PRO 53 1HB PRO 53 31.469 21.078 -8.113
456 HB3 PRO 53 2HB PRO 53 31.949 20.537 -9.725
457 HG2 PRO 53 1HG PRO 53 31.747 23.321 -8.644
458 HG3 PRO 53 2HG PRO 53 33.012 22.604 -9.658
459 HD2 PRO 53 1HD PRO 53 31.061 24.187 -10.666
460 HD3 PRO 53 2HD PRO 53 31.781 22.853 -11.591
461 H GLN 54 H GLN 54 28.569 19.745 -8.225
462 HA GLN 54 HA GLN 54 28.086 21.311 -5.949
463 HB2 GLN 54 1HB GLN 54 26.041 22.295 -6.265
464 HB3 GLN 54 2HB GLN 54 26.681 22.418 -7.898
465 HG2 GLN 54 1HG GLN 54 24.713 20.403 -6.851
466 HG3 GLN 54 2HG GLN 54 24.428 21.674 -8.038
467 HE21 GLN 54 2HE2 GLN 54 24.223 18.667 -8.077
468 HE22 GLN 54 1HE2 GLN 54 25.098 18.199 -9.491
469 H ILE 55 H ILE 55 26.009 20.403 -4.758
470 HA ILE 55 HA ILE 55 26.274 17.491 -4.883
471 HB ILE 55 HB ILE 55 25.104 19.268 -2.740
472 HG12 ILE 55 1HG1 ILE 55 27.114 18.115 -1.498
473 HG13 ILE 55 2HG1 ILE 55 27.734 17.886 -3.129
474 HG21 ILE 55 1HG2 ILE 55 25.389 16.924 -1.504
475 HG22 ILE 55 2HG2 ILE 55 23.902 17.390 -2.328
476 HG23 ILE 55 3HG2 ILE 55 25.063 16.335 -3.134
477 HD11 ILE 55 3HD1 ILE 55 27.975 20.159 -3.490
478 HD12 ILE 55 1HD1 ILE 55 26.850 20.585 -2.200
479 HD13 ILE 55 2HD1 ILE 55 28.452 19.964 -1.804
480 H PHE 56 H PHE 56 24.789 16.382 -5.952
481 HA PHE 56 HA PHE 56 22.148 17.550 -6.394
482 HB2 PHE 56 1HB PHE 56 23.827 16.217 -8.088
483 HB3 PHE 56 2HB PHE 56 22.739 14.925 -7.590
484 HD1 PHE 56 HD1 PHE 56 20.173 15.616 -7.634
485 HD2 PHE 56 HD2 PHE 56 23.253 17.448 -9.931
486 HE1 PHE 56 HE1 PHE 56 18.493 16.407 -9.249
487 HE2 PHE 56 HE2 PHE 56 21.578 18.243 -11.549
488 HZ PHE 56 HZ PHE 56 19.195 17.723 -11.209
489 H ILE 57 H ILE 57 20.239 16.566 -5.790
490 HA ILE 57 HA ILE 57 20.379 14.091 -4.239
491 HB ILE 57 HB ILE 57 18.873 15.115 -2.497
492 HG12 ILE 57 1HG1 ILE 57 19.852 17.804 -2.811
493 HG13 ILE 57 2HG1 ILE 57 18.986 17.315 -4.263
494 HG21 ILE 57 1HG2 ILE 57 21.008 14.703 -1.729
495 HG22 ILE 57 2HG2 ILE 57 21.746 15.842 -2.854
496 HG23 ILE 57 3HG2 ILE 57 20.858 16.438 -1.452
497 HD11 ILE 57 3HD1 ILE 57 17.154 17.944 -3.179
498 HD12 ILE 57 1HD1 ILE 57 17.335 16.457 -2.248
499 HD13 ILE 57 2HD1 ILE 57 17.981 17.974 -1.622
500 H GLY 58 H GLY 58 19.011 12.799 -5.284
501 HA2 GLY 58 1HA GLY 58 17.067 11.998 -6.205
502 HA3 GLY 58 2HA GLY 58 16.239 13.305 -5.372
503 H ASP 59 H ASP 59 15.797 15.222 -6.458
504 HA ASP 59 HA ASP 59 16.471 15.298 -9.316
505 HB2 ASP 59 1HB ASP 59 13.720 15.720 -8.132
506 HB3 ASP 59 2HB ASP 59 14.152 16.068 -9.804
507 H TYR 60 H TYR 60 17.384 16.725 -6.846
508 HA TYR 60 HA TYR 60 16.991 19.443 -7.879
509 HB2 TYR 60 1HB TYR 60 15.515 19.420 -6.023
510 HB3 TYR 60 2HB TYR 60 16.661 18.535 -5.023
511 HD1 TYR 60 HD2 TYR 60 16.042 21.815 -6.640
512 HD2 TYR 60 HD1 TYR 60 18.226 19.675 -3.681
513 HE1 TYR 60 HE2 TYR 60 16.878 23.941 -5.728
514 HE2 TYR 60 HE1 TYR 60 19.067 21.795 -2.760
515 HH TYR 60 HH TYR 60 17.750 24.733 -3.412
516 H HIS 61 H HIS 61 18.735 20.842 -7.600
517 HA HIS 61 HA HIS 61 21.246 19.515 -6.831
518 HB2 HIS 61 1HB HIS 61 22.324 21.305 -8.251
519 HB3 HIS 61 2HB HIS 61 21.330 20.148 -9.130
520 HD1 HIS 61 HD1 HIS 61 18.933 21.031 -9.893
521 HD2 HIS 61 HD2 HIS 61 21.574 23.928 -8.516
522 HE1 HIS 61 HE1 HIS 61 17.988 23.227 -10.673
523 H VAL 62 H VAL 62 21.853 20.054 -4.842
524 HA VAL 62 HA VAL 62 20.960 22.160 -3.304
525 HB VAL 62 HB VAL 62 23.664 20.820 -3.160
526 HG11 VAL 62 1HG1 VAL 62 24.166 22.220 -1.514
527 HG12 VAL 62 2HG1 VAL 62 22.620 23.045 -1.720
528 HG13 VAL 62 3HG1 VAL 62 22.748 21.670 -0.623
529 HG21 VAL 62 3HG2 VAL 62 22.285 19.057 -2.769
530 HG22 VAL 62 1HG2 VAL 62 22.280 19.748 -1.146
531 HG23 VAL 62 2HG2 VAL 62 20.944 20.079 -2.248
532 H GLY 63 H GLY 63 24.319 22.078 -4.482
533 HA2 GLY 63 1HA GLY 63 24.733 24.104 -6.065
534 HA3 GLY 63 2HA GLY 63 24.245 25.009 -4.639
535 H GLY 64 H GLY 64 25.477 23.721 -2.599
536 HA2 GLY 64 1HA GLY 64 28.297 23.415 -3.297
537 HA3 GLY 64 2HA GLY 64 27.884 24.759 -2.244
538 H CYS 65 H CYS 65 29.637 22.894 -1.347
539 HA CYS 65 HA CYS 65 28.500 20.721 0.037
540 HB2 CYS 65 1HB CYS 65 30.623 20.771 1.369
541 HB3 CYS 65 2HB CYS 65 30.866 20.748 -0.373
542 HG CYS 65 HG CYS 65 31.056 23.578 1.542
543 H ASP 66 H ASP 66 29.095 24.071 0.959
544 HA ASP 66 HA ASP 66 28.307 23.698 3.689
545 HB2 ASP 66 1HB ASP 66 29.798 25.490 3.320
546 HB3 ASP 66 2HB ASP 66 28.841 26.121 1.983
547 H ASP 67 H ASP 67 26.690 24.415 0.711
548 HA ASP 67 HA ASP 67 24.370 25.649 1.673
549 HB2 ASP 67 1HB ASP 67 24.895 23.930 -0.746
550 HB3 ASP 67 2HB ASP 67 23.312 24.634 -0.427
551 H LEU 68 H LEU 68 24.905 22.206 0.909
552 HA LEU 68 HA LEU 68 22.454 21.236 1.770
553 HB2 LEU 68 1HB LEU 68 23.401 19.104 1.735
554 HB3 LEU 68 2HB LEU 68 24.321 20.021 0.544
555 HG LEU 68 HG LEU 68 25.939 20.364 2.624
556 HD11 LEU 68 1HD1 LEU 68 25.911 17.877 3.610
557 HD12 LEU 68 2HD1 LEU 68 24.181 18.108 3.360
558 HD13 LEU 68 3HD1 LEU 68 25.081 19.230 4.380
559 HD21 LEU 68 3HD2 LEU 68 25.727 18.322 0.510
560 HD22 LEU 68 1HD2 LEU 68 26.848 17.957 1.822
561 HD23 LEU 68 2HD2 LEU 68 27.039 19.440 0.887
562 H TYR 69 H TYR 69 25.375 21.925 3.617
563 HA TYR 69 HA TYR 69 24.509 20.770 6.051
564 HB2 TYR 69 1HB TYR 69 26.801 22.178 5.101
565 HB3 TYR 69 2HB TYR 69 26.261 22.951 6.587
566 HD1 TYR 69 HD2 TYR 69 26.992 19.566 5.192
567 HD2 TYR 69 HD1 TYR 69 26.953 22.084 8.621
568 HE1 TYR 69 HE2 TYR 69 28.074 17.788 6.502
569 HE2 TYR 69 HE1 TYR 69 28.037 20.314 9.941
570 HH TYR 69 HH TYR 69 28.773 18.218 9.957
571 H ALA 70 H ALA 70 24.586 24.165 4.968
572 HA ALA 70 HA ALA 70 23.406 25.335 7.182
573 HB1 ALA 70 1HB ALA 70 24.295 26.236 4.772
574 HB2 ALA 70 2HB ALA 70 22.555 26.493 4.629
575 HB3 ALA 70 3HB ALA 70 23.446 27.218 5.967
576 H LEU 71 H LEU 71 21.820 24.047 4.268
577 HA LEU 71 HA LEU 71 19.190 24.671 4.980
578 HB2 LEU 71 1HB LEU 71 20.503 22.796 3.111
579 HB3 LEU 71 2HB LEU 71 18.832 22.432 3.539
580 HG LEU 71 HG LEU 71 19.810 25.003 2.297
581 HD11 LEU 71 1HD1 LEU 71 18.575 22.521 1.184
582 HD12 LEU 71 2HD1 LEU 71 19.922 23.478 0.568
583 HD13 LEU 71 3HD1 LEU 71 18.272 24.082 0.421
584 HD21 LEU 71 3HD2 LEU 71 17.897 25.881 3.002
585 HD22 LEU 71 1HD2 LEU 71 17.402 24.343 3.710
586 HD23 LEU 71 2HD2 LEU 71 17.035 24.694 2.021
587 H GLU 72 H GLU 72 21.029 21.667 5.491
588 HA GLU 72 HA GLU 72 19.033 20.203 6.765
589 HB2 GLU 72 1HB GLU 72 20.635 18.645 6.960
590 HB3 GLU 72 2HB GLU 72 21.673 19.777 6.105
591 HG2 GLU 72 1HG GLU 72 22.363 20.700 8.315
592 HG3 GLU 72 2HG GLU 72 21.454 19.397 9.079
593 H ASN 73 H ASN 73 21.155 22.697 7.987
594 HA ASN 73 HA ASN 73 20.435 22.217 10.747
595 HB2 ASN 73 1HB ASN 73 22.662 23.006 10.370
596 HB3 ASN 73 2HB ASN 73 22.085 24.355 9.396
597 HD21 ASN 73 2HD2 ASN 73 22.306 23.045 12.627
598 HD22 ASN 73 1HD2 ASN 73 22.058 24.540 13.458
599 H LYS 74 H LYS 74 19.352 24.169 8.108
600 HA LYS 74 HA LYS 74 17.924 26.074 9.721
601 HB2 LYS 74 1HB LYS 74 18.018 25.470 6.776
602 HB3 LYS 74 2HB LYS 74 16.847 26.605 7.435
603 HG2 LYS 74 1HG LYS 74 19.833 26.836 7.750
604 HG3 LYS 74 2HG LYS 74 18.867 27.699 6.551
605 HD2 LYS 74 1HD LYS 74 18.563 27.911 9.547
606 HD3 LYS 74 2HD LYS 74 19.344 29.101 8.503
607 HE2 LYS 74 1HE LYS 74 16.443 28.280 8.484
608 HE3 LYS 74 2HE LYS 74 17.106 29.835 8.983
609 HZ1 LYS 74 3HZ LYS 74 17.918 30.107 6.671
610 HZ2 LYS 74 1HZ LYS 74 16.231 30.058 6.796
611 HZ3 LYS 74 2HZ LYS 74 17.078 28.703 6.241
612 H GLY 75 H GLY 75 17.310 22.935 8.445
613 HA2 GLY 75 1HA GLY 75 15.358 21.914 9.728
614 HA3 GLY 75 2HA GLY 75 14.431 23.229 9.022
615 H LYS 76 H LYS 76 16.656 22.429 6.759
616 HA LYS 76 HA LYS 76 14.697 20.967 5.204
617 HB2 LYS 76 1HB LYS 76 17.075 22.569 4.664
618 HB3 LYS 76 2HB LYS 76 17.010 21.108 3.686
619 HG2 LYS 76 1HG LYS 76 15.985 22.948 2.509
620 HG3 LYS 76 2HG LYS 76 14.767 21.738 2.917
621 HD2 LYS 76 1HD LYS 76 13.803 23.074 4.551
622 HD3 LYS 76 2HD LYS 76 15.255 24.059 4.743
623 HE2 LYS 76 1HE LYS 76 13.637 25.390 3.613
624 HE3 LYS 76 2HE LYS 76 14.859 24.930 2.428
625 HZ1 LYS 76 3HZ LYS 76 13.145 22.954 2.088
626 HZ2 LYS 76 1HZ LYS 76 13.021 24.416 1.246
627 HZ3 LYS 76 2HZ LYS 76 12.060 24.142 2.610
628 H LEU 77 H LEU 77 16.685 19.984 7.506
629 HA LEU 77 HA LEU 77 18.286 17.965 6.466
630 HB2 LEU 77 1HB LEU 77 18.536 18.588 8.739
631 HB3 LEU 77 2HB LEU 77 16.851 18.213 9.096
632 HG LEU 77 HG LEU 77 18.599 15.988 8.188
633 HD11 LEU 77 1HD1 LEU 77 18.625 16.721 11.078
634 HD12 LEU 77 2HD1 LEU 77 19.775 17.482 9.980
635 HD13 LEU 77 3HD1 LEU 77 19.754 15.728 10.156
636 HD21 LEU 77 3HD2 LEU 77 16.601 15.068 8.652
637 HD22 LEU 77 1HD2 LEU 77 16.109 16.405 9.691
638 HD23 LEU 77 2HD2 LEU 77 17.162 15.139 10.323
639 H ASP 78 H ASP 78 14.905 17.814 7.540
640 HA ASP 78 HA ASP 78 14.413 15.122 7.232
641 HB2 ASP 78 1HB ASP 78 12.628 17.503 6.728
642 HB3 ASP 78 2HB ASP 78 12.040 15.844 6.657
643 H SER 79 H SER 79 14.406 17.646 4.754
644 HA SER 79 HA SER 79 13.535 15.946 2.645
645 HB2 SER 79 1HB SER 79 13.225 18.333 2.440
646 HB3 SER 79 2HB SER 79 14.957 18.617 2.608
647 HG SER 79 HG SER 79 13.737 17.167 0.493
648 H LEU 80 H LEU 80 16.725 17.178 3.613
649 HA LEU 80 HA LEU 80 18.236 16.007 1.588
650 HB2 LEU 80 1HB LEU 80 18.753 17.056 4.292
651 HB3 LEU 80 2HB LEU 80 19.954 15.924 3.673
652 HG LEU 80 HG LEU 80 20.498 18.331 3.304
653 HD11 LEU 80 1HD1 LEU 80 20.597 16.153 1.444
654 HD12 LEU 80 2HD1 LEU 80 21.772 17.438 1.726
655 HD13 LEU 80 3HD1 LEU 80 20.457 17.682 0.576
656 HD21 LEU 80 3HD2 LEU 80 19.143 19.748 2.223
657 HD22 LEU 80 1HD2 LEU 80 17.878 18.571 2.573
658 HD23 LEU 80 2HD2 LEU 80 18.695 18.547 1.010
659 H LEU 81 H LEU 81 17.551 14.746 4.850
660 HA LEU 81 HA LEU 81 18.850 12.276 4.489
661 HB2 LEU 81 1HB LEU 81 16.519 12.884 6.300
662 HB3 LEU 81 2HB LEU 81 17.651 11.543 6.460
663 HG LEU 81 HG LEU 81 18.003 14.422 7.141
664 HD11 LEU 81 1HD1 LEU 81 17.572 13.154 9.020
665 HD12 LEU 81 2HD1 LEU 81 19.335 13.189 8.995
666 HD13 LEU 81 3HD1 LEU 81 18.473 11.762 8.418
667 HD21 LEU 81 3HD2 LEU 81 20.525 13.730 7.317
668 HD22 LEU 81 1HD2 LEU 81 19.868 14.355 5.804
669 HD23 LEU 81 2HD2 LEU 81 20.094 12.619 6.016
670 H GLN 82 H GLN 82 15.475 13.251 4.032
671 HA GLN 82 HA GLN 82 14.401 10.739 3.461
672 HB2 GLN 82 1HB GLN 82 12.947 12.608 3.867
673 HB3 GLN 82 2HB GLN 82 13.604 13.484 2.491
674 HG2 GLN 82 1HG GLN 82 11.330 12.403 2.201
675 HG3 GLN 82 2HG GLN 82 12.532 12.100 0.947
676 HE21 GLN 82 2HE2 GLN 82 12.104 10.660 4.150
677 HE22 GLN 82 1HE2 GLN 82 11.926 9.036 3.589
678 H ASP 83 H ASP 83 16.159 13.000 1.440
679 HA ASP 83 HA ASP 83 15.613 11.622 -1.015
680 HB2 ASP 83 1HB ASP 83 16.315 14.108 -0.634
681 HB3 ASP 83 2HB ASP 83 17.953 13.461 -0.634
682 H VAL 84 H VAL 84 18.660 12.100 0.785
683 HA VAL 84 HA VAL 84 20.200 10.257 -0.586
684 HB VAL 84 HB VAL 84 21.658 10.170 1.369
685 HG11 VAL 84 1HG1 VAL 84 21.514 12.846 1.775
686 HG12 VAL 84 2HG1 VAL 84 22.265 12.091 0.368
687 HG13 VAL 84 3HG1 VAL 84 20.606 12.684 0.273
688 HG21 VAL 84 3HG2 VAL 84 20.932 11.532 3.398
689 HG22 VAL 84 1HG2 VAL 84 19.294 11.396 2.759
690 HG23 VAL 84 2HG2 VAL 84 20.194 9.944 3.195
691 H HIS 85 H HIS 85 17.864 9.740 1.969
692 HA HIS 85 HA HIS 85 18.542 7.168 2.775
693 HB2 HIS 85 1HB HIS 85 16.859 8.450 3.954
694 HB3 HIS 85 2HB HIS 85 15.813 8.449 2.537
695 HD1 HIS 85 HD1 HIS 85 14.281 6.471 2.230
696 HD2 HIS 85 HD2 HIS 85 17.067 5.897 5.259
697 HE1 HIS 85 HE1 HIS 85 13.578 4.359 3.398
Start of MODEL 15
1 H1 GLY -3 H GLY -3 18.115 -6.019 -3.449
2 HA2 GLY -3 1HA GLY -3 15.349 -6.385 -4.105
3 HA3 GLY -3 2HA GLY -3 15.763 -7.113 -2.561
4 HA PRO -2 HA PRO -2 16.517 -2.341 -2.133
5 HB2 PRO -2 1HB PRO -2 15.458 -0.797 -4.099
6 HB3 PRO -2 2HB PRO -2 17.111 -1.420 -4.152
7 HG2 PRO -2 1HG PRO -2 14.650 -2.462 -5.500
8 HG3 PRO -2 2HG PRO -2 16.290 -2.279 -6.150
9 HD2 PRO -2 1HD PRO -2 15.318 -4.657 -5.294
10 HD3 PRO -2 2HD PRO -2 17.034 -4.223 -5.159
11 H GLY -1 H GLY -1 14.851 -0.317 -2.127
12 HA2 GLY -1 1HA GLY -1 12.105 -1.290 -1.843
13 HA3 GLY -1 2HA GLY -1 12.887 -0.645 -0.408
14 H SER 0 H SER 0 11.860 1.226 -0.039
15 HA SER 0 HA SER 0 11.548 3.098 -2.290
16 HB2 SER 0 1HB SER 0 10.113 3.212 0.369
17 HB3 SER 0 2HB SER 0 9.735 4.119 -1.095
18 HG SER 0 HG SER 0 8.345 2.477 -1.201
19 H MET 1 H MET 1 13.779 3.740 -2.078
20 HA MET 1 HA MET 1 14.100 5.819 -0.048
21 HB2 MET 1 1HB MET 1 15.911 3.466 -0.456
22 HB3 MET 1 2HB MET 1 16.580 5.000 0.085
23 HG2 MET 1 1HG MET 1 15.525 4.905 2.117
24 HG3 MET 1 2HG MET 1 14.234 3.866 1.519
25 HE1 MET 1 3HE MET 1 15.262 0.417 2.295
26 HE2 MET 1 1HE MET 1 14.152 1.630 2.935
27 HE3 MET 1 2HE MET 1 14.327 1.427 1.192
28 H LYS 2 H LYS 2 14.955 7.642 -0.848
29 HA LYS 2 HA LYS 2 15.411 7.903 -3.634
30 HB2 LYS 2 1HB LYS 2 15.945 9.776 -1.325
31 HB3 LYS 2 2HB LYS 2 16.173 10.224 -3.011
32 HG2 LYS 2 1HG LYS 2 13.551 9.237 -1.926
33 HG3 LYS 2 2HG LYS 2 14.006 10.943 -1.955
34 HD2 LYS 2 1HD LYS 2 14.309 9.440 -4.486
35 HD3 LYS 2 2HD LYS 2 12.659 9.753 -3.942
36 HE2 LYS 2 1HE LYS 2 14.555 12.023 -3.847
37 HE3 LYS 2 2HE LYS 2 14.058 11.471 -5.446
38 HZ1 LYS 2 3HZ LYS 2 12.336 12.838 -5.090
39 HZ2 LYS 2 1HZ LYS 2 12.531 12.846 -3.409
40 HZ3 LYS 2 2HZ LYS 2 11.714 11.569 -4.159
41 H GLU 3 H GLU 3 17.500 9.246 -4.286
42 HA GLU 3 HA GLU 3 19.860 7.918 -3.139
43 HB2 GLU 3 1HB GLU 3 19.986 6.710 -5.031
44 HB3 GLU 3 2HB GLU 3 18.816 7.727 -5.860
45 HG2 GLU 3 1HG GLU 3 20.486 9.268 -6.521
46 HG3 GLU 3 2HG GLU 3 21.682 8.529 -5.458
47 H ILE 4 H ILE 4 21.764 9.104 -3.149
48 HA ILE 4 HA ILE 4 21.455 11.948 -3.860
49 HB ILE 4 HB ILE 4 21.688 11.435 -1.408
50 HG12 ILE 4 1HG1 ILE 4 22.488 13.568 -2.735
51 HG13 ILE 4 2HG1 ILE 4 22.868 13.382 -1.027
52 HG21 ILE 4 1HG2 ILE 4 23.231 9.577 -1.547
53 HG22 ILE 4 2HG2 ILE 4 24.465 10.621 -2.252
54 HG23 ILE 4 3HG2 ILE 4 23.943 10.873 -0.587
55 HD11 ILE 4 3HD1 ILE 4 25.085 13.003 -1.423
56 HD12 ILE 4 1HD1 ILE 4 24.803 12.369 -3.043
57 HD13 ILE 4 2HD1 ILE 4 24.698 14.104 -2.744
58 H ILE 5 H ILE 5 22.981 12.912 -5.098
59 HA ILE 5 HA ILE 5 25.388 11.367 -5.780
60 HB ILE 5 HB ILE 5 23.965 12.979 -7.871
61 HG12 ILE 5 1HG1 ILE 5 23.509 10.048 -7.267
62 HG13 ILE 5 2HG1 ILE 5 22.339 11.338 -7.010
63 HG21 ILE 5 1HG2 ILE 5 26.407 11.743 -7.804
64 HG22 ILE 5 2HG2 ILE 5 25.395 10.543 -8.607
65 HG23 ILE 5 3HG2 ILE 5 25.518 12.174 -9.265
66 HD11 ILE 5 3HD1 ILE 5 23.482 10.569 -9.684
67 HD12 ILE 5 1HD1 ILE 5 21.925 10.031 -9.054
68 HD13 ILE 5 2HD1 ILE 5 22.204 11.743 -9.375
69 H LEU 6 H LEU 6 27.182 12.501 -5.479
70 HA LEU 6 HA LEU 6 26.986 15.418 -5.252
71 HB2 LEU 6 1HB LEU 6 29.364 15.088 -4.300
72 HB3 LEU 6 2HB LEU 6 27.969 14.642 -3.319
73 HG LEU 6 HG LEU 6 29.011 12.427 -4.908
74 HD11 LEU 6 1HD1 LEU 6 31.046 12.093 -3.688
75 HD12 LEU 6 2HD1 LEU 6 30.766 13.547 -2.731
76 HD13 LEU 6 3HD1 LEU 6 31.108 13.680 -4.455
77 HD21 LEU 6 3HD2 LEU 6 27.549 12.849 -2.567
78 HD22 LEU 6 1HD2 LEU 6 29.072 12.128 -2.044
79 HD23 LEU 6 2HD2 LEU 6 28.070 11.303 -3.239
80 H TYR 7 H TYR 7 27.830 16.713 -6.748
81 HA TYR 7 HA TYR 7 29.546 15.510 -8.811
82 HB2 TYR 7 1HB TYR 7 27.716 17.911 -8.891
83 HB3 TYR 7 2HB TYR 7 28.845 17.514 -10.182
84 HD1 TYR 7 HD1 TYR 7 28.511 15.480 -11.538
85 HD2 TYR 7 HD2 TYR 7 25.678 16.682 -8.599
86 HE1 TYR 7 HE1 TYR 7 26.840 13.981 -12.543
87 HE2 TYR 7 HE2 TYR 7 24.001 15.185 -9.595
88 HH TYR 7 HH TYR 7 23.530 13.804 -11.273
89 H THR 8 H THR 8 31.631 15.905 -8.516
90 HA THR 8 HA THR 8 32.711 18.498 -8.460
91 HB THR 8 HB THR 8 33.778 17.731 -6.003
92 HG1 THR 8 HG1 THR 8 30.996 17.744 -5.615
93 HG21 THR 8 3HG2 THR 8 33.024 19.794 -5.283
94 HG22 THR 8 1HG2 THR 8 31.501 19.663 -6.161
95 HG23 THR 8 2HG2 THR 8 32.995 20.004 -7.034
96 H ARG 9 H ARG 9 35.151 18.321 -7.613
97 HA ARG 9 HA ARG 9 36.276 16.100 -9.120
98 HB2 ARG 9 1HB ARG 9 38.443 17.372 -8.721
99 HB3 ARG 9 2HB ARG 9 37.230 18.179 -9.706
100 HG2 ARG 9 1HG ARG 9 36.608 19.608 -7.905
101 HG3 ARG 9 2HG ARG 9 37.594 18.689 -6.765
102 HD2 ARG 9 1HD ARG 9 38.734 20.733 -7.376
103 HD3 ARG 9 2HD ARG 9 39.609 19.344 -8.019
104 HE ARG 9 HE ARG 9 38.035 20.058 -10.085
105 HH11 ARG 9 1HH1 ARG 9 40.203 21.852 -8.036
106 HH12 ARG 9 2HH1 ARG 9 40.614 23.007 -9.261
107 HH21 ARG 9 1HH2 ARG 9 38.568 21.571 -11.706
108 HH22 ARG 9 2HH2 ARG 9 39.683 22.846 -11.348
109 HA PRO 10 HA PRO 10 37.647 13.718 -5.701
110 HB2 PRO 10 1HB PRO 10 40.062 12.827 -6.564
111 HB3 PRO 10 2HB PRO 10 38.530 12.237 -7.219
112 HG2 PRO 10 1HG PRO 10 40.400 14.291 -8.334
113 HG3 PRO 10 2HG PRO 10 39.545 12.984 -9.173
114 HD2 PRO 10 1HD PRO 10 38.685 15.551 -9.216
115 HD3 PRO 10 2HD PRO 10 37.571 14.170 -9.273
116 H ASN 11 H ASN 11 39.270 16.544 -6.617
117 HA ASN 11 HA ASN 11 41.139 16.393 -4.361
118 HB2 ASN 11 1HB ASN 11 40.988 18.286 -6.713
119 HB3 ASN 11 2HB ASN 11 42.132 18.462 -5.386
120 HD21 ASN 11 2HD2 ASN 11 43.547 18.332 -7.377
121 HD22 ASN 11 1HD2 ASN 11 44.119 16.761 -7.811
122 H CYS 12 H CYS 12 38.313 16.740 -3.931
123 HA CYS 12 HA CYS 12 38.185 19.521 -2.983
124 HB2 CYS 12 1HB CYS 12 36.335 19.018 -4.414
125 HB3 CYS 12 2HB CYS 12 36.018 17.504 -3.574
126 HA PRO 13 HA PRO 13 38.953 17.323 0.931
127 HB2 PRO 13 1HB PRO 13 39.966 19.505 2.191
128 HB3 PRO 13 2HB PRO 13 40.930 18.478 1.123
129 HG2 PRO 13 1HG PRO 13 39.607 21.100 0.544
130 HG3 PRO 13 2HG PRO 13 41.223 20.536 0.081
131 HD2 PRO 13 1HD PRO 13 39.127 20.516 -1.633
132 HD3 PRO 13 2HD PRO 13 40.423 19.303 -1.694
133 H TYR 14 H TYR 14 37.306 20.360 0.285
134 HA TYR 14 HA TYR 14 36.067 20.589 2.838
135 HB2 TYR 14 1HB TYR 14 36.385 22.289 0.755
136 HB3 TYR 14 2HB TYR 14 34.711 21.805 0.507
137 HD1 TYR 14 HD1 TYR 14 36.808 22.630 3.498
138 HD2 TYR 14 HD2 TYR 14 33.219 23.350 1.328
139 HE1 TYR 14 HE1 TYR 14 36.096 24.235 5.220
140 HE2 TYR 14 HE2 TYR 14 32.498 24.958 3.044
141 HH TYR 14 HH TYR 14 33.948 25.194 6.066
142 H CYS 15 H CYS 15 35.535 18.542 0.211
143 HA CYS 15 HA CYS 15 32.700 18.249 0.442
144 HB2 CYS 15 1HB CYS 15 34.840 16.578 -0.876
145 HB3 CYS 15 2HB CYS 15 33.137 16.134 -0.903
146 H LYS 16 H LYS 16 35.423 16.993 2.128
147 HA LYS 16 HA LYS 16 34.613 14.546 3.056
148 HB2 LYS 16 1HB LYS 16 36.054 16.755 4.526
149 HB3 LYS 16 2HB LYS 16 35.871 15.128 5.167
150 HG2 LYS 16 1HG LYS 16 37.229 14.198 3.499
151 HG3 LYS 16 2HG LYS 16 37.124 15.643 2.491
152 HD2 LYS 16 1HD LYS 16 39.278 15.671 3.476
153 HD3 LYS 16 2HD LYS 16 38.321 16.873 4.345
154 HE2 LYS 16 1HE LYS 16 38.026 15.414 6.199
155 HE3 LYS 16 2HE LYS 16 38.677 14.041 5.304
156 HZ1 LYS 16 3HZ LYS 16 40.082 15.652 6.978
157 HZ2 LYS 16 1HZ LYS 16 40.502 16.247 5.451
158 HZ3 LYS 16 2HZ LYS 16 40.751 14.616 5.820
159 H ARG 17 H ARG 17 33.453 17.711 4.017
160 HA ARG 17 HA ARG 17 32.058 16.934 6.339
161 HB2 ARG 17 1HB ARG 17 31.836 19.254 4.448
162 HB3 ARG 17 2HB ARG 17 30.651 19.038 5.729
163 HG2 ARG 17 1HG ARG 17 32.186 20.468 6.688
164 HG3 ARG 17 2HG ARG 17 32.704 18.891 7.288
165 HD2 ARG 17 1HD ARG 17 34.492 18.787 5.743
166 HD3 ARG 17 2HD ARG 17 33.859 20.142 4.810
167 HE ARG 17 HE ARG 17 34.335 21.156 7.312
168 HH11 ARG 17 1HH1 ARG 17 36.224 19.551 4.867
169 HH12 ARG 17 2HH1 ARG 17 37.701 20.346 5.301
170 HH21 ARG 17 1HH2 ARG 17 36.273 22.209 7.892
171 HH22 ARG 17 2HH2 ARG 17 37.728 21.858 7.022
172 H ALA 18 H ALA 18 30.861 17.503 3.028
173 HA ALA 18 HA ALA 18 28.223 16.710 3.464
174 HB1 ALA 18 1HB ALA 18 28.055 16.458 1.055
175 HB2 ALA 18 2HB ALA 18 28.980 17.905 1.458
176 HB3 ALA 18 3HB ALA 18 29.814 16.449 0.915
177 H ARG 19 H ARG 19 30.858 14.786 2.012
178 HA ARG 19 HA ARG 19 29.507 12.379 1.802
179 HB2 ARG 19 1HB ARG 19 31.617 11.336 1.547
180 HB3 ARG 19 2HB ARG 19 31.807 12.962 0.905
181 HG2 ARG 19 1HG ARG 19 32.878 13.664 2.983
182 HG3 ARG 19 2HG ARG 19 32.683 12.034 3.632
183 HD2 ARG 19 1HD ARG 19 33.940 11.400 1.384
184 HD3 ARG 19 2HD ARG 19 34.544 13.048 1.551
185 HE ARG 19 HE ARG 19 34.843 11.728 4.004
186 HH11 ARG 19 1HH1 ARG 19 36.117 11.659 0.765
187 HH12 ARG 19 2HH1 ARG 19 37.669 11.057 1.249
188 HH21 ARG 19 1HH2 ARG 19 36.881 10.936 4.653
189 HH22 ARG 19 2HH2 ARG 19 38.102 10.646 3.461
190 H ASP 20 H ASP 20 31.123 13.804 4.579
191 HA ASP 20 HA ASP 20 31.082 11.531 6.248
192 HB2 ASP 20 1HB ASP 20 31.402 14.466 6.658
193 HB3 ASP 20 2HB ASP 20 31.032 13.476 8.066
194 H LEU 21 H LEU 21 28.755 14.133 5.712
195 HA LEU 21 HA LEU 21 26.963 13.439 7.771
196 HB2 LEU 21 1HB LEU 21 27.088 15.565 6.318
197 HB3 LEU 21 2HB LEU 21 26.102 14.659 5.172
198 HG LEU 21 HG LEU 21 24.730 14.390 7.555
199 HD11 LEU 21 1HD1 LEU 21 26.422 16.300 8.237
200 HD12 LEU 21 2HD1 LEU 21 24.735 16.331 8.748
201 HD13 LEU 21 3HD1 LEU 21 25.258 17.307 7.375
202 HD21 LEU 21 3HD2 LEU 21 23.269 14.809 5.918
203 HD22 LEU 21 1HD2 LEU 21 24.436 15.759 4.997
204 HD23 LEU 21 2HD2 LEU 21 23.522 16.512 6.304
205 H LEU 22 H LEU 22 26.967 12.620 4.309
206 HA LEU 22 HA LEU 22 24.641 11.077 4.291
207 HB2 LEU 22 1HB LEU 22 27.035 10.453 2.596
208 HB3 LEU 22 2HB LEU 22 25.328 10.268 2.198
209 HG LEU 22 HG LEU 22 26.810 12.885 2.455
210 HD11 LEU 22 1HD1 LEU 22 27.386 11.496 0.466
211 HD12 LEU 22 2HD1 LEU 22 26.638 13.045 0.079
212 HD13 LEU 22 3HD1 LEU 22 25.688 11.562 -0.007
213 HD21 LEU 22 3HD2 LEU 22 24.729 13.621 2.914
214 HD22 LEU 22 1HD2 LEU 22 23.955 12.181 2.252
215 HD23 LEU 22 2HD2 LEU 22 24.511 13.459 1.171
216 H ASP 23 H ASP 23 28.020 9.953 4.505
217 HA ASP 23 HA ASP 23 27.431 7.253 4.942
218 HB2 ASP 23 1HB ASP 23 29.703 8.516 4.464
219 HB3 ASP 23 2HB ASP 23 29.840 8.478 6.219
220 H LYS 24 H LYS 24 27.545 9.974 7.130
221 HA LYS 24 HA LYS 24 27.625 8.524 9.555
222 HB2 LYS 24 1HB LYS 24 28.175 10.869 9.543
223 HB3 LYS 24 2HB LYS 24 26.588 11.287 8.910
224 HG2 LYS 24 1HG LYS 24 26.698 11.813 11.255
225 HG3 LYS 24 2HG LYS 24 25.567 10.483 10.998
226 HD2 LYS 24 1HD LYS 24 27.299 8.885 11.671
227 HD3 LYS 24 2HD LYS 24 28.426 10.218 11.930
228 HE2 LYS 24 1HE LYS 24 25.870 9.664 13.428
229 HE3 LYS 24 2HE LYS 24 27.517 9.562 14.051
230 HZ1 LYS 24 3HZ LYS 24 25.807 11.837 13.818
231 HZ2 LYS 24 1HZ LYS 24 27.310 12.109 13.090
232 HZ3 LYS 24 2HZ LYS 24 27.229 11.648 14.715
233 H LYS 25 H LYS 25 24.958 9.729 7.570
234 HA LYS 25 HA LYS 25 22.910 8.902 9.373
235 HB2 LYS 25 1HB LYS 25 22.812 9.585 6.430
236 HB3 LYS 25 2HB LYS 25 21.394 9.301 7.430
237 HG2 LYS 25 1HG LYS 25 23.411 11.512 7.749
238 HG3 LYS 25 2HG LYS 25 21.745 11.664 7.184
239 HD2 LYS 25 1HD LYS 25 21.175 10.565 9.487
240 HD3 LYS 25 2HD LYS 25 22.780 11.143 9.939
241 HE2 LYS 25 1HE LYS 25 21.903 13.388 8.883
242 HE3 LYS 25 2HE LYS 25 20.326 12.683 9.237
243 HZ1 LYS 25 3HZ LYS 25 22.500 13.071 11.224
244 HZ2 LYS 25 1HZ LYS 25 20.949 12.477 11.543
245 HZ3 LYS 25 2HZ LYS 25 21.155 14.081 11.048
246 H GLY 26 H GLY 26 24.599 7.404 6.695
247 HA2 GLY 26 1HA GLY 26 24.817 5.027 6.566
248 HA3 GLY 26 2HA GLY 26 23.258 4.875 7.362
249 H VAL 27 H VAL 27 24.380 6.649 4.481
250 HA VAL 27 HA VAL 27 22.357 5.190 2.915
251 HB VAL 27 HB VAL 27 22.258 7.408 1.547
252 HG11 VAL 27 1HG1 VAL 27 20.371 6.409 2.734
253 HG12 VAL 27 2HG1 VAL 27 20.911 7.162 4.236
254 HG13 VAL 27 3HG1 VAL 27 20.366 8.165 2.891
255 HG21 VAL 27 3HG2 VAL 27 24.046 8.549 2.756
256 HG22 VAL 27 1HG2 VAL 27 22.519 9.417 2.922
257 HG23 VAL 27 2HG2 VAL 27 23.122 8.429 4.253
258 H LYS 28 H LYS 28 22.764 5.581 0.478
259 HA LYS 28 HA LYS 28 25.635 5.157 -0.001
260 HB2 LYS 28 1HB LYS 28 23.329 3.722 -0.819
261 HB3 LYS 28 2HB LYS 28 24.028 4.444 -2.262
262 HG2 LYS 28 1HG LYS 28 25.342 2.646 -2.303
263 HG3 LYS 28 2HG LYS 28 26.232 3.436 -1.000
264 HD2 LYS 28 1HD LYS 28 25.792 1.259 -0.221
265 HD3 LYS 28 2HD LYS 28 24.611 2.289 0.592
266 HE2 LYS 28 1HE LYS 28 23.557 0.254 -0.215
267 HE3 LYS 28 2HE LYS 28 22.927 1.658 -1.074
268 HZ1 LYS 28 3HZ LYS 28 25.119 0.717 -2.509
269 HZ2 LYS 28 1HZ LYS 28 23.488 0.679 -2.961
270 HZ3 LYS 28 2HZ LYS 28 24.167 -0.631 -2.134
271 H TYR 29 H TYR 29 26.651 6.876 -0.781
272 HA TYR 29 HA TYR 29 25.172 8.749 -2.496
273 HB2 TYR 29 1HB TYR 29 26.867 10.396 -1.928
274 HB3 TYR 29 2HB TYR 29 26.209 9.691 -0.455
275 HD1 TYR 29 HD2 TYR 29 29.130 9.691 -2.723
276 HD2 TYR 29 HD1 TYR 29 27.600 8.522 1.071
277 HE1 TYR 29 HE2 TYR 29 31.407 9.121 -1.987
278 HE2 TYR 29 HE1 TYR 29 29.873 7.950 1.818
279 HH TYR 29 HH TYR 29 32.660 8.865 0.087
280 H THR 30 H THR 30 25.943 9.350 -4.496
281 HA THR 30 HA THR 30 28.009 7.586 -5.618
282 HB THR 30 HB THR 30 25.815 9.147 -6.992
283 HG1 THR 30 HG1 THR 30 25.521 6.981 -5.812
284 HG21 THR 30 3HG2 THR 30 27.776 9.120 -8.414
285 HG22 THR 30 1HG2 THR 30 26.574 7.998 -9.050
286 HG23 THR 30 2HG2 THR 30 27.971 7.386 -8.163
287 H ASP 31 H ASP 31 29.952 8.445 -5.888
288 HA ASP 31 HA ASP 31 30.319 11.316 -5.900
289 HB2 ASP 31 1HB ASP 31 32.700 10.821 -5.822
290 HB3 ASP 31 2HB ASP 31 31.848 9.842 -4.632
291 H ILE 32 H ILE 32 30.283 12.495 -7.685
292 HA ILE 32 HA ILE 32 30.840 11.182 -10.259
293 HB ILE 32 HB ILE 32 29.363 13.770 -9.768
294 HG12 ILE 32 1HG1 ILE 32 28.090 11.882 -8.901
295 HG13 ILE 32 2HG1 ILE 32 27.343 12.478 -10.380
296 HG21 ILE 32 1HG2 ILE 32 30.002 14.052 -11.920
297 HG22 ILE 32 2HG2 ILE 32 30.248 12.327 -12.188
298 HG23 ILE 32 3HG2 ILE 32 28.619 13.001 -12.223
299 HD11 ILE 32 3HD1 ILE 32 28.830 9.940 -9.900
300 HD12 ILE 32 1HD1 ILE 32 27.261 10.198 -10.662
301 HD13 ILE 32 2HD1 ILE 32 28.740 10.621 -11.525
302 H ASP 33 H ASP 33 32.736 11.603 -11.155
303 HA ASP 33 HA ASP 33 34.522 13.565 -10.171
304 HB2 ASP 33 1HB ASP 33 35.827 12.974 -12.295
305 HB3 ASP 33 2HB ASP 33 35.517 11.667 -11.156
306 H ALA 34 H ALA 34 35.169 15.526 -11.010
307 HA ALA 34 HA ALA 34 33.247 17.143 -12.218
308 HB1 ALA 34 1HB ALA 34 36.128 17.409 -11.591
309 HB2 ALA 34 2HB ALA 34 35.448 18.549 -12.754
310 HB3 ALA 34 3HB ALA 34 34.765 18.431 -11.132
311 H SER 35 H SER 35 35.429 14.905 -13.614
312 HA SER 35 HA SER 35 36.015 15.893 -16.096
313 HB2 SER 35 1HB SER 35 36.767 13.689 -15.298
314 HB3 SER 35 2HB SER 35 35.125 13.067 -15.466
315 HG SER 35 HG SER 35 37.036 13.582 -17.397
316 H THR 36 H THR 36 34.646 17.035 -17.317
317 HA THR 36 HA THR 36 31.889 16.836 -17.429
318 HB THR 36 HB THR 36 32.831 18.773 -18.380
319 HG1 THR 36 HG1 THR 36 31.418 18.769 -19.948
320 HG21 THR 36 3HG2 THR 36 35.035 18.037 -18.923
321 HG22 THR 36 1HG2 THR 36 34.313 18.650 -20.411
322 HG23 THR 36 2HG2 THR 36 34.426 16.911 -20.137
323 H SER 37 H SER 37 34.296 14.859 -18.941
324 HA SER 37 HA SER 37 33.001 13.795 -21.117
325 HB2 SER 37 1HB SER 37 34.817 12.438 -19.117
326 HB3 SER 37 2HB SER 37 34.298 11.682 -20.623
327 HG SER 37 HG SER 37 36.159 12.646 -21.167
328 H LEU 38 H LEU 38 32.414 13.187 -17.728
329 HA LEU 38 HA LEU 38 30.179 11.422 -18.484
330 HB2 LEU 38 1HB LEU 38 31.823 11.275 -15.962
331 HB3 LEU 38 2HB LEU 38 30.479 10.220 -16.395
332 HG LEU 38 HG LEU 38 33.096 10.373 -17.889
333 HD11 LEU 38 1HD1 LEU 38 33.246 9.470 -15.551
334 HD12 LEU 38 2HD1 LEU 38 33.723 8.347 -16.824
335 HD13 LEU 38 3HD1 LEU 38 32.145 8.187 -16.053
336 HD21 LEU 38 3HD2 LEU 38 31.778 9.474 -19.482
337 HD22 LEU 38 1HD2 LEU 38 30.533 8.989 -18.330
338 HD23 LEU 38 2HD2 LEU 38 31.983 8.003 -18.529
339 H ARG 39 H ARG 39 31.372 13.935 -16.340
340 HA ARG 39 HA ARG 39 29.132 14.212 -14.688
341 HB2 ARG 39 1HB ARG 39 31.272 15.295 -14.208
342 HB3 ARG 39 2HB ARG 39 31.082 16.325 -15.621
343 HG2 ARG 39 1HG ARG 39 28.957 16.368 -13.544
344 HG3 ARG 39 2HG ARG 39 30.488 17.179 -13.210
345 HD2 ARG 39 1HD ARG 39 30.043 18.132 -15.660
346 HD3 ARG 39 2HD ARG 39 28.373 17.832 -15.181
347 HE ARG 39 HE ARG 39 30.031 19.946 -14.289
348 HH11 ARG 39 1HH1 ARG 39 27.583 17.727 -13.192
349 HH12 ARG 39 2HH1 ARG 39 27.001 18.782 -11.946
350 HH21 ARG 39 1HH2 ARG 39 29.274 21.343 -12.653
351 HH22 ARG 39 2HH2 ARG 39 27.962 20.838 -11.641
352 H GLN 40 H GLN 40 29.836 15.526 -17.879
353 HA GLN 40 HA GLN 40 27.698 17.347 -18.028
354 HB2 GLN 40 1HB GLN 40 29.532 17.457 -19.601
355 HB3 GLN 40 2HB GLN 40 29.159 15.849 -20.207
356 HG2 GLN 40 1HG GLN 40 26.962 16.724 -20.982
357 HG3 GLN 40 2HG GLN 40 27.499 18.337 -20.516
358 HE21 GLN 40 2HE2 GLN 40 27.301 19.037 -22.662
359 HE22 GLN 40 1HE2 GLN 40 28.470 18.615 -23.862
360 H GLU 41 H GLU 41 27.946 13.927 -18.898
361 HA GLU 41 HA GLU 41 25.371 13.714 -20.053
362 HB2 GLU 41 1HB GLU 41 26.794 11.437 -18.699
363 HB3 GLU 41 2HB GLU 41 25.731 11.389 -20.098
364 HG2 GLU 41 1HG GLU 41 28.548 12.425 -19.966
365 HG3 GLU 41 2HG GLU 41 27.949 11.028 -20.859
366 H MET 42 H MET 42 26.596 13.031 -16.793
367 HA MET 42 HA MET 42 24.134 12.117 -15.744
368 HB2 MET 42 1HB MET 42 26.569 13.275 -14.382
369 HB3 MET 42 2HB MET 42 25.207 12.570 -13.521
370 HG2 MET 42 1HG MET 42 26.155 10.766 -15.543
371 HG3 MET 42 2HG MET 42 27.476 11.267 -14.491
372 HE1 MET 42 3HE MET 42 27.236 8.469 -12.171
373 HE2 MET 42 1HE MET 42 27.278 8.229 -13.918
374 HE3 MET 42 2HE MET 42 28.165 9.569 -13.191
375 H VAL 43 H VAL 43 25.784 15.263 -15.460
376 HA VAL 43 HA VAL 43 23.797 16.568 -13.989
377 HB VAL 43 HB VAL 43 26.151 17.392 -14.458
378 HG11 VAL 43 1HG1 VAL 43 24.857 18.434 -16.975
379 HG12 VAL 43 2HG1 VAL 43 26.495 18.780 -16.417
380 HG13 VAL 43 3HG1 VAL 43 26.055 17.142 -16.904
381 HG21 VAL 43 3HG2 VAL 43 23.861 19.323 -14.819
382 HG22 VAL 43 1HG2 VAL 43 24.506 18.745 -13.282
383 HG23 VAL 43 2HG2 VAL 43 25.500 19.755 -14.332
384 H GLN 44 H GLN 44 24.092 15.949 -17.420
385 HA GLN 44 HA GLN 44 22.081 17.779 -18.257
386 HB2 GLN 44 1HB GLN 44 23.568 15.519 -19.505
387 HB3 GLN 44 2HB GLN 44 22.084 16.056 -20.281
388 HG2 GLN 44 1HG GLN 44 24.196 18.033 -19.542
389 HG3 GLN 44 2HG GLN 44 24.349 17.065 -21.008
390 HE21 GLN 44 2HE2 GLN 44 23.425 19.965 -19.939
391 HE22 GLN 44 1HE2 GLN 44 22.221 20.367 -21.111
392 H ARG 45 H ARG 45 22.077 14.255 -17.754
393 HA ARG 45 HA ARG 45 19.270 14.010 -18.238
394 HB2 ARG 45 1HB ARG 45 20.984 12.187 -18.568
395 HB3 ARG 45 2HB ARG 45 21.059 12.036 -16.818
396 HG2 ARG 45 1HG ARG 45 19.609 10.345 -17.773
397 HG3 ARG 45 2HG ARG 45 18.686 11.460 -16.763
398 HD2 ARG 45 1HD ARG 45 17.577 10.874 -18.917
399 HD3 ARG 45 2HD ARG 45 17.836 12.603 -18.683
400 HE ARG 45 HE ARG 45 19.962 11.360 -20.137
401 HH11 ARG 45 1HH1 ARG 45 16.760 12.698 -20.409
402 HH12 ARG 45 2HH1 ARG 45 16.926 13.094 -22.087
403 HH21 ARG 45 1HH2 ARG 45 20.194 11.877 -22.347
404 HH22 ARG 45 2HH2 ARG 45 18.879 12.626 -23.189
405 H ALA 46 H ALA 46 21.049 15.148 -15.635
406 HA ALA 46 HA ALA 46 19.143 14.295 -13.602
407 HB1 ALA 46 1HB ALA 46 21.619 16.002 -13.365
408 HB2 ALA 46 2HB ALA 46 20.636 15.418 -12.022
409 HB3 ALA 46 3HB ALA 46 21.512 14.272 -13.036
410 H ASN 47 H ASN 47 20.215 17.249 -15.225
411 HA ASN 47 HA ASN 47 17.735 18.546 -14.345
412 HB2 ASN 47 1HB ASN 47 19.082 20.692 -14.101
413 HB3 ASN 47 2HB ASN 47 19.318 19.481 -12.844
414 HD21 ASN 47 2HD2 ASN 47 20.716 21.054 -15.612
415 HD22 ASN 47 1HD2 ASN 47 22.343 20.545 -15.330
416 H GLY 48 H GLY 48 20.399 18.361 -16.625
417 HA2 GLY 48 1HA GLY 48 20.170 18.558 -18.957
418 HA3 GLY 48 2HA GLY 48 18.625 19.360 -18.716
419 H ARG 49 H ARG 49 21.905 20.049 -17.511
420 HA ARG 49 HA ARG 49 22.368 22.268 -19.173
421 HB2 ARG 49 1HB ARG 49 20.512 23.271 -17.922
422 HB3 ARG 49 2HB ARG 49 21.347 22.946 -16.409
423 HG2 ARG 49 1HG ARG 49 21.887 25.138 -16.705
424 HG3 ARG 49 2HG ARG 49 23.247 24.375 -17.531
425 HD2 ARG 49 1HD ARG 49 22.259 24.747 -19.666
426 HD3 ARG 49 2HD ARG 49 20.733 25.246 -18.939
427 HE ARG 49 HE ARG 49 22.540 27.030 -17.965
428 HH11 ARG 49 1HH1 ARG 49 21.635 25.973 -21.156
429 HH12 ARG 49 2HH1 ARG 49 22.005 27.491 -21.905
430 HH21 ARG 49 1HH2 ARG 49 23.030 29.033 -18.939
431 HH22 ARG 49 2HH2 ARG 49 22.798 29.231 -20.643
432 H ASN 50 H ASN 50 24.456 22.924 -19.013
433 HA ASN 50 HA ASN 50 26.102 21.544 -17.038
434 HB2 ASN 50 1HB ASN 50 27.186 23.260 -19.252
435 HB3 ASN 50 2HB ASN 50 27.917 21.855 -18.480
436 HD21 ASN 50 2HD2 ASN 50 26.248 19.883 -18.671
437 HD22 ASN 50 1HD2 ASN 50 25.777 19.559 -20.301
438 H THR 51 H THR 51 27.189 22.530 -15.433
439 HA THR 51 HA THR 51 27.781 25.330 -15.434
440 HB THR 51 HB THR 51 26.186 24.868 -13.048
441 HG1 THR 51 HG1 THR 51 24.688 25.051 -15.446
442 HG21 THR 51 3HG2 THR 51 25.466 26.930 -15.048
443 HG22 THR 51 1HG2 THR 51 27.092 27.018 -14.372
444 HG23 THR 51 2HG2 THR 51 25.689 27.071 -13.304
445 H PHE 52 H PHE 52 28.177 25.833 -12.803
446 HA PHE 52 HA PHE 52 30.557 24.475 -12.234
447 HB2 PHE 52 1HB PHE 52 28.792 26.351 -10.722
448 HB3 PHE 52 2HB PHE 52 30.056 25.497 -9.843
449 HD1 PHE 52 HD2 PHE 52 29.599 27.498 -12.956
450 HD2 PHE 52 HD1 PHE 52 32.127 26.474 -9.689
451 HE1 PHE 52 HE2 PHE 52 31.244 29.164 -13.711
452 HE2 PHE 52 HE1 PHE 52 33.776 28.139 -10.438
453 HZ PHE 52 HZ PHE 52 33.336 29.487 -12.452
454 HA PRO 53 HA PRO 53 29.437 20.831 -10.065
455 HB2 PRO 53 1HB PRO 53 31.279 20.741 -8.074
456 HB3 PRO 53 2HB PRO 53 31.679 20.431 -9.767
457 HG2 PRO 53 1HG PRO 53 32.046 22.930 -8.161
458 HG3 PRO 53 2HG PRO 53 33.158 22.167 -9.313
459 HD2 PRO 53 1HD PRO 53 31.621 24.298 -9.966
460 HD3 PRO 53 2HD PRO 53 32.065 23.045 -11.142
461 H GLN 54 H GLN 54 28.115 20.143 -8.448
462 HA GLN 54 HA GLN 54 27.853 21.646 -5.989
463 HB2 GLN 54 1HB GLN 54 25.451 22.050 -6.244
464 HB3 GLN 54 2HB GLN 54 26.371 22.888 -7.486
465 HG2 GLN 54 1HG GLN 54 24.550 22.003 -8.624
466 HG3 GLN 54 2HG GLN 54 25.861 20.877 -8.971
467 HE21 GLN 54 2HE2 GLN 54 25.531 18.797 -8.587
468 HE22 GLN 54 1HE2 GLN 54 24.219 18.137 -7.677
469 H ILE 55 H ILE 55 25.820 20.631 -4.753
470 HA ILE 55 HA ILE 55 26.294 17.739 -4.809
471 HB ILE 55 HB ILE 55 25.126 19.513 -2.665
472 HG12 ILE 55 1HG1 ILE 55 27.187 18.461 -1.451
473 HG13 ILE 55 2HG1 ILE 55 27.760 18.136 -3.083
474 HG21 ILE 55 1HG2 ILE 55 25.373 17.301 -1.322
475 HG22 ILE 55 2HG2 ILE 55 23.948 17.556 -2.328
476 HG23 ILE 55 3HG2 ILE 55 25.267 16.539 -2.909
477 HD11 ILE 55 3HD1 ILE 55 27.989 20.381 -3.585
478 HD12 ILE 55 1HD1 ILE 55 26.887 20.884 -2.303
479 HD13 ILE 55 2HD1 ILE 55 28.500 20.296 -1.899
480 H PHE 56 H PHE 56 24.849 16.523 -5.815
481 HA PHE 56 HA PHE 56 22.122 17.511 -6.172
482 HB2 PHE 56 1HB PHE 56 23.903 16.053 -7.805
483 HB3 PHE 56 2HB PHE 56 22.589 14.952 -7.405
484 HD1 PHE 56 HD2 PHE 56 20.179 15.980 -7.660
485 HD2 PHE 56 HD1 PHE 56 23.666 17.442 -9.616
486 HE1 PHE 56 HE2 PHE 56 18.769 17.042 -9.373
487 HE2 PHE 56 HE1 PHE 56 22.260 18.507 -11.333
488 HZ PHE 56 HZ PHE 56 19.808 18.306 -11.213
489 H ILE 57 H ILE 57 20.390 16.657 -5.187
490 HA ILE 57 HA ILE 57 20.660 14.085 -3.805
491 HB ILE 57 HB ILE 57 19.629 14.911 -1.789
492 HG12 ILE 57 1HG1 ILE 57 19.565 17.577 -3.215
493 HG13 ILE 57 2HG1 ILE 57 18.180 16.623 -2.696
494 HG21 ILE 57 1HG2 ILE 57 22.197 15.525 -2.624
495 HG22 ILE 57 2HG2 ILE 57 21.602 17.028 -1.920
496 HG23 ILE 57 3HG2 ILE 57 21.599 15.545 -0.965
497 HD11 ILE 57 3HD1 ILE 57 18.891 16.954 -0.353
498 HD12 ILE 57 1HD1 ILE 57 20.179 18.011 -0.930
499 HD13 ILE 57 2HD1 ILE 57 18.492 18.455 -1.188
500 H GLY 58 H GLY 58 18.953 12.788 -4.090
501 HA2 GLY 58 1HA GLY 58 16.963 12.053 -4.993
502 HA3 GLY 58 2HA GLY 58 16.286 13.373 -4.052
503 H ASP 59 H ASP 59 18.294 13.254 -6.992
504 HA ASP 59 HA ASP 59 18.070 14.277 -9.014
505 HB2 ASP 59 1HB ASP 59 15.088 14.080 -8.641
506 HB3 ASP 59 2HB ASP 59 16.014 13.983 -10.136
507 H TYR 60 H TYR 60 18.215 15.968 -6.695
508 HA TYR 60 HA TYR 60 17.047 18.382 -7.858
509 HB2 TYR 60 1HB TYR 60 15.394 17.952 -6.243
510 HB3 TYR 60 2HB TYR 60 16.567 17.382 -5.062
511 HD1 TYR 60 HD2 TYR 60 15.133 20.368 -6.669
512 HD2 TYR 60 HD1 TYR 60 17.724 18.912 -3.624
513 HE1 TYR 60 HE2 TYR 60 15.196 22.610 -5.659
514 HE2 TYR 60 HE1 TYR 60 17.793 21.150 -2.605
515 HH TYR 60 HH TYR 60 16.256 23.211 -2.586
516 H HIS 61 H HIS 61 18.810 19.530 -8.307
517 HA HIS 61 HA HIS 61 21.279 19.311 -6.971
518 HB2 HIS 61 1HB HIS 61 21.832 21.449 -8.196
519 HB3 HIS 61 2HB HIS 61 21.277 20.124 -9.215
520 HD1 HIS 61 HD1 HIS 61 18.888 20.355 -10.253
521 HD2 HIS 61 HD2 HIS 61 20.214 23.701 -8.179
522 HE1 HIS 61 HE1 HIS 61 17.332 22.215 -10.915
523 H VAL 62 H VAL 62 22.200 20.440 -5.331
524 HA VAL 62 HA VAL 62 20.434 22.271 -3.855
525 HB VAL 62 HB VAL 62 22.839 20.726 -2.874
526 HG11 VAL 62 1HG1 VAL 62 21.230 22.896 -1.705
527 HG12 VAL 62 2HG1 VAL 62 21.528 21.515 -0.648
528 HG13 VAL 62 3HG1 VAL 62 22.884 22.392 -1.358
529 HG21 VAL 62 3HG2 VAL 62 21.366 19.037 -2.817
530 HG22 VAL 62 1HG2 VAL 62 20.670 19.885 -1.435
531 HG23 VAL 62 2HG2 VAL 62 19.985 20.110 -3.045
532 H GLY 63 H GLY 63 23.971 21.852 -4.080
533 HA2 GLY 63 1HA GLY 63 24.766 24.052 -5.421
534 HA3 GLY 63 2HA GLY 63 24.342 24.715 -3.849
535 H GLY 64 H GLY 64 26.080 25.041 -2.641
536 HA2 GLY 64 1HA GLY 64 28.515 23.554 -3.118
537 HA3 GLY 64 2HA GLY 64 28.301 24.874 -1.978
538 H CYS 65 H CYS 65 29.789 22.871 -1.099
539 HA CYS 65 HA CYS 65 28.515 20.671 0.057
540 HB2 CYS 65 1HB CYS 65 30.941 22.131 1.122
541 HB3 CYS 65 2HB CYS 65 30.485 20.468 1.472
542 HG CYS 65 HG CYS 65 30.694 20.776 -1.771
543 H ASP 66 H ASP 66 29.575 23.643 1.726
544 HA ASP 66 HA ASP 66 28.317 23.160 4.149
545 HB2 ASP 66 1HB ASP 66 28.455 25.598 4.523
546 HB3 ASP 66 2HB ASP 66 29.953 24.944 3.867
547 H ASP 67 H ASP 67 26.981 24.218 1.133
548 HA ASP 67 HA ASP 67 24.654 25.490 1.915
549 HB2 ASP 67 1HB ASP 67 25.633 24.940 -0.462
550 HB3 ASP 67 2HB ASP 67 24.571 23.538 -0.355
551 H LEU 68 H LEU 68 25.057 22.007 1.257
552 HA LEU 68 HA LEU 68 22.497 21.200 1.986
553 HB2 LEU 68 1HB LEU 68 23.299 19.020 1.974
554 HB3 LEU 68 2HB LEU 68 24.372 19.872 0.867
555 HG LEU 68 HG LEU 68 25.846 20.087 3.069
556 HD11 LEU 68 1HD1 LEU 68 25.568 17.612 4.032
557 HD12 LEU 68 2HD1 LEU 68 23.883 17.950 3.637
558 HD13 LEU 68 3HD1 LEU 68 24.760 19.012 4.738
559 HD21 LEU 68 3HD2 LEU 68 26.652 17.635 2.318
560 HD22 LEU 68 1HD2 LEU 68 26.996 19.099 1.397
561 HD23 LEU 68 2HD2 LEU 68 25.647 18.062 0.932
562 H TYR 69 H TYR 69 25.346 21.784 3.963
563 HA TYR 69 HA TYR 69 24.337 20.674 6.362
564 HB2 TYR 69 1HB TYR 69 26.709 22.009 5.509
565 HB3 TYR 69 2HB TYR 69 26.121 22.813 6.960
566 HD1 TYR 69 HD2 TYR 69 27.104 19.510 5.586
567 HD2 TYR 69 HD1 TYR 69 26.412 21.834 9.082
568 HE1 TYR 69 HE2 TYR 69 28.074 17.718 6.963
569 HE2 TYR 69 HE1 TYR 69 27.381 20.049 10.468
570 HH TYR 69 HH TYR 69 29.238 17.621 9.302
571 H ALA 70 H ALA 70 24.552 24.056 5.257
572 HA ALA 70 HA ALA 70 23.300 25.272 7.409
573 HB1 ALA 70 1HB ALA 70 23.485 27.142 6.195
574 HB2 ALA 70 2HB ALA 70 24.318 26.124 5.019
575 HB3 ALA 70 3HB ALA 70 22.597 26.458 4.833
576 H LEU 71 H LEU 71 21.799 24.160 4.371
577 HA LEU 71 HA LEU 71 19.166 24.809 5.001
578 HB2 LEU 71 1HB LEU 71 20.173 22.505 3.338
579 HB3 LEU 71 2HB LEU 71 18.527 23.133 3.327
580 HG LEU 71 HG LEU 71 20.880 24.843 2.573
581 HD11 LEU 71 1HD1 LEU 71 20.890 22.837 1.154
582 HD12 LEU 71 2HD1 LEU 71 20.472 24.293 0.252
583 HD13 LEU 71 3HD1 LEU 71 19.210 23.152 0.718
584 HD21 LEU 71 3HD2 LEU 71 18.093 25.268 2.883
585 HD22 LEU 71 1HD2 LEU 71 18.476 25.394 1.166
586 HD23 LEU 71 2HD2 LEU 71 19.326 26.406 2.334
587 H GLU 72 H GLU 72 20.915 21.758 5.527
588 HA GLU 72 HA GLU 72 18.828 20.291 6.642
589 HB2 GLU 72 1HB GLU 72 20.874 19.196 6.019
590 HB3 GLU 72 2HB GLU 72 21.801 20.169 7.153
591 HG2 GLU 72 1HG GLU 72 20.550 19.104 9.009
592 HG3 GLU 72 2HG GLU 72 19.770 18.055 7.827
593 H ASN 73 H ASN 73 20.953 22.681 8.078
594 HA ASN 73 HA ASN 73 20.016 22.161 10.763
595 HB2 ASN 73 1HB ASN 73 22.349 23.101 9.929
596 HB3 ASN 73 2HB ASN 73 21.514 24.647 10.054
597 HD21 ASN 73 2HD2 ASN 73 23.557 24.503 11.620
598 HD22 ASN 73 1HD2 ASN 73 23.131 24.183 13.263
599 H LYS 74 H LYS 74 19.142 24.163 8.104
600 HA LYS 74 HA LYS 74 17.703 26.113 9.659
601 HB2 LYS 74 1HB LYS 74 17.930 25.534 6.715
602 HB3 LYS 74 2HB LYS 74 16.778 26.712 7.329
603 HG2 LYS 74 1HG LYS 74 19.752 26.808 7.793
604 HG3 LYS 74 2HG LYS 74 18.884 27.727 6.561
605 HD2 LYS 74 1HD LYS 74 18.449 27.916 9.542
606 HD3 LYS 74 2HD LYS 74 19.323 29.085 8.550
607 HE2 LYS 74 1HE LYS 74 16.396 28.382 8.387
608 HE3 LYS 74 2HE LYS 74 17.095 29.902 8.943
609 HZ1 LYS 74 3HZ LYS 74 18.095 30.032 6.620
610 HZ2 LYS 74 1HZ LYS 74 16.434 30.322 6.768
611 HZ3 LYS 74 2HZ LYS 74 16.984 28.829 6.193
612 H GLY 75 H GLY 75 17.053 23.009 8.316
613 HA2 GLY 75 1HA GLY 75 14.988 22.062 9.488
614 HA3 GLY 75 2HA GLY 75 14.157 23.401 8.710
615 H LYS 76 H LYS 76 16.492 22.520 6.602
616 HA LYS 76 HA LYS 76 14.597 21.099 4.935
617 HB2 LYS 76 1HB LYS 76 16.957 22.706 4.526
618 HB3 LYS 76 2HB LYS 76 17.098 21.187 3.650
619 HG2 LYS 76 1HG LYS 76 16.126 22.860 2.223
620 HG3 LYS 76 2HG LYS 76 14.918 21.625 2.591
621 HD2 LYS 76 1HD LYS 76 13.627 23.055 3.787
622 HD3 LYS 76 2HD LYS 76 15.013 23.955 4.409
623 HE2 LYS 76 1HE LYS 76 15.263 24.819 1.999
624 HE3 LYS 76 2HE LYS 76 13.618 24.229 1.767
625 HZ1 LYS 76 3HZ LYS 76 14.107 26.670 2.565
626 HZ2 LYS 76 1HZ LYS 76 14.141 25.931 4.087
627 HZ3 LYS 76 2HZ LYS 76 12.757 25.816 3.122
628 H LEU 77 H LEU 77 16.441 20.094 7.361
629 HA LEU 77 HA LEU 77 18.057 18.037 6.485
630 HB2 LEU 77 1HB LEU 77 18.055 18.636 8.782
631 HB3 LEU 77 2HB LEU 77 16.339 18.269 8.943
632 HG LEU 77 HG LEU 77 18.170 16.046 8.205
633 HD11 LEU 77 1HD1 LEU 77 19.526 16.599 9.927
634 HD12 LEU 77 2HD1 LEU 77 18.257 15.815 10.868
635 HD13 LEU 77 3HD1 LEU 77 18.295 17.573 10.732
636 HD21 LEU 77 3HD2 LEU 77 16.435 15.285 10.217
637 HD22 LEU 77 1HD2 LEU 77 16.207 15.030 8.486
638 HD23 LEU 77 2HD2 LEU 77 15.498 16.442 9.270
639 H ASP 78 H ASP 78 14.583 17.901 7.230
640 HA ASP 78 HA ASP 78 14.106 15.224 6.791
641 HB2 ASP 78 1HB ASP 78 12.459 16.982 7.578
642 HB3 ASP 78 2HB ASP 78 12.238 17.416 5.885
643 H SER 79 H SER 79 14.320 17.830 4.410
644 HA SER 79 HA SER 79 13.604 16.241 2.173
645 HB2 SER 79 1HB SER 79 13.432 18.670 2.085
646 HB3 SER 79 2HB SER 79 15.173 18.827 2.320
647 HG SER 79 HG SER 79 13.736 18.061 0.057
648 H LEU 80 H LEU 80 16.746 17.310 3.448
649 HA LEU 80 HA LEU 80 18.362 16.102 1.516
650 HB2 LEU 80 1HB LEU 80 18.744 17.038 4.307
651 HB3 LEU 80 2HB LEU 80 19.984 15.992 3.618
652 HG LEU 80 HG LEU 80 20.451 18.446 3.460
653 HD11 LEU 80 1HD1 LEU 80 20.909 18.290 0.902
654 HD12 LEU 80 2HD1 LEU 80 20.354 16.627 1.095
655 HD13 LEU 80 3HD1 LEU 80 21.743 17.205 2.015
656 HD21 LEU 80 3HD2 LEU 80 17.899 18.777 2.795
657 HD22 LEU 80 1HD2 LEU 80 18.575 18.637 1.172
658 HD23 LEU 80 2HD2 LEU 80 19.162 19.889 2.267
659 H LEU 81 H LEU 81 17.413 14.873 4.724
660 HA LEU 81 HA LEU 81 18.655 12.370 4.485
661 HB2 LEU 81 1HB LEU 81 16.175 13.059 6.054
662 HB3 LEU 81 2HB LEU 81 17.222 11.666 6.316
663 HG LEU 81 HG LEU 81 17.637 14.525 7.048
664 HD11 LEU 81 1HD1 LEU 81 18.388 13.551 9.125
665 HD12 LEU 81 2HD1 LEU 81 18.304 11.932 8.433
666 HD13 LEU 81 3HD1 LEU 81 16.827 12.863 8.679
667 HD21 LEU 81 3HD2 LEU 81 19.745 12.625 6.132
668 HD22 LEU 81 1HD2 LEU 81 20.092 13.715 7.475
669 HD23 LEU 81 2HD2 LEU 81 19.623 14.371 5.906
670 H GLN 82 H GLN 82 15.429 13.473 3.574
671 HA GLN 82 HA GLN 82 14.463 10.894 2.844
672 HB2 GLN 82 1HB GLN 82 12.858 12.573 3.403
673 HB3 GLN 82 2HB GLN 82 13.512 13.685 2.208
674 HG2 GLN 82 1HG GLN 82 11.347 12.568 1.603
675 HG3 GLN 82 2HG GLN 82 12.642 12.430 0.415
676 HE21 GLN 82 2HE2 GLN 82 12.069 10.643 3.413
677 HE22 GLN 82 1HE2 GLN 82 11.969 9.085 2.672
678 H ASP 83 H ASP 83 16.419 13.260 1.290
679 HA ASP 83 HA ASP 83 15.933 12.232 -1.379
680 HB2 ASP 83 1HB ASP 83 17.715 14.394 -0.270
681 HB3 ASP 83 2HB ASP 83 17.826 13.869 -1.948
682 H VAL 84 H VAL 84 18.341 11.987 1.152
683 HA VAL 84 HA VAL 84 20.175 10.497 -0.535
684 HB VAL 84 HB VAL 84 21.612 10.373 1.433
685 HG11 VAL 84 1HG1 VAL 84 21.068 13.147 1.804
686 HG12 VAL 84 2HG1 VAL 84 22.352 12.386 0.862
687 HG13 VAL 84 3HG1 VAL 84 20.794 12.734 0.111
688 HG21 VAL 84 3HG2 VAL 84 20.761 11.808 3.445
689 HG22 VAL 84 1HG2 VAL 84 19.168 11.396 2.808
690 HG23 VAL 84 2HG2 VAL 84 20.280 10.117 3.297
691 H HIS 85 H HIS 85 17.660 9.890 1.760
692 HA HIS 85 HA HIS 85 18.432 7.076 2.010
693 HB2 HIS 85 1HB HIS 85 17.833 8.321 4.069
694 HB3 HIS 85 2HB HIS 85 16.220 8.590 3.414
695 HD1 HIS 85 HD1 HIS 85 14.527 6.914 4.078
696 HD2 HIS 85 HD2 HIS 85 18.389 5.406 4.354
697 HE1 HIS 85 HE1 HIS 85 14.282 4.613 5.063
Start of MODEL 16
1 H1 GLY -3 H GLY -3 12.227 -8.316 -2.812
2 HA2 GLY -3 1HA GLY -3 13.542 -8.068 -5.133
3 HA3 GLY -3 2HA GLY -3 11.956 -7.451 -5.572
4 HA PRO -2 HA PRO -2 14.563 -3.956 -3.934
5 HB2 PRO -2 1HB PRO -2 14.099 -2.295 -6.031
6 HB3 PRO -2 2HB PRO -2 15.416 -3.473 -6.012
7 HG2 PRO -2 1HG PRO -2 12.723 -3.662 -7.306
8 HG3 PRO -2 2HG PRO -2 14.308 -4.134 -7.947
9 HD2 PRO -2 1HD PRO -2 12.560 -5.927 -6.918
10 HD3 PRO -2 2HD PRO -2 14.319 -6.130 -6.795
11 H GLY -1 H GLY -1 13.784 -1.531 -3.906
12 HA2 GLY -1 1HA GLY -1 10.857 -1.441 -3.587
13 HA3 GLY -1 2HA GLY -1 11.898 -0.924 -2.269
14 H SER 0 H SER 0 11.310 1.202 -2.206
15 HA SER 0 HA SER 0 12.075 2.803 -4.554
16 HB2 SER 0 1HB SER 0 9.721 3.430 -2.761
17 HB3 SER 0 2HB SER 0 10.191 4.271 -4.238
18 HG SER 0 HG SER 0 8.950 2.903 -5.221
19 H MET 1 H MET 1 13.402 4.462 -4.139
20 HA MET 1 HA MET 1 13.432 5.959 -1.751
21 HB2 MET 1 1HB MET 1 15.550 5.230 -0.789
22 HB3 MET 1 2HB MET 1 14.398 3.901 -0.816
23 HG2 MET 1 1HG MET 1 16.260 4.167 -3.108
24 HG3 MET 1 2HG MET 1 16.911 3.606 -1.570
25 HE1 MET 1 3HE MET 1 15.234 1.046 -4.676
26 HE2 MET 1 1HE MET 1 14.498 2.649 -4.631
27 HE3 MET 1 2HE MET 1 16.253 2.486 -4.688
28 H LYS 2 H LYS 2 14.847 7.725 -1.850
29 HA LYS 2 HA LYS 2 15.688 8.417 -4.510
30 HB2 LYS 2 1HB LYS 2 15.894 9.881 -1.875
31 HB3 LYS 2 2HB LYS 2 16.410 10.559 -3.414
32 HG2 LYS 2 1HG LYS 2 13.618 9.549 -3.041
33 HG3 LYS 2 2HG LYS 2 14.084 11.167 -2.511
34 HD2 LYS 2 1HD LYS 2 13.557 11.781 -4.606
35 HD3 LYS 2 2HD LYS 2 15.123 11.086 -5.033
36 HE2 LYS 2 1HE LYS 2 13.424 10.227 -6.517
37 HE3 LYS 2 2HE LYS 2 14.009 8.930 -5.477
38 HZ1 LYS 2 3HZ LYS 2 11.407 9.597 -5.866
39 HZ2 LYS 2 1HZ LYS 2 11.755 10.316 -4.374
40 HZ3 LYS 2 2HZ LYS 2 12.000 8.657 -4.591
41 H GLU 3 H GLU 3 17.918 9.692 -4.563
42 HA GLU 3 HA GLU 3 19.991 8.206 -3.137
43 HB2 GLU 3 1HB GLU 3 21.219 7.680 -5.146
44 HB3 GLU 3 2HB GLU 3 19.596 7.017 -5.279
45 HG2 GLU 3 1HG GLU 3 19.111 9.284 -6.502
46 HG3 GLU 3 2HG GLU 3 20.854 9.265 -6.761
47 H ILE 4 H ILE 4 21.947 9.303 -2.925
48 HA ILE 4 HA ILE 4 21.823 12.154 -3.645
49 HB ILE 4 HB ILE 4 21.933 11.581 -1.207
50 HG12 ILE 4 1HG1 ILE 4 22.947 13.681 -2.468
51 HG13 ILE 4 2HG1 ILE 4 23.177 13.458 -0.737
52 HG21 ILE 4 1HG2 ILE 4 23.366 9.635 -1.327
53 HG22 ILE 4 2HG2 ILE 4 24.691 10.617 -1.950
54 HG23 ILE 4 3HG2 ILE 4 24.110 10.863 -0.303
55 HD11 ILE 4 3HD1 ILE 4 25.188 14.103 -2.214
56 HD12 ILE 4 1HD1 ILE 4 25.392 12.862 -0.979
57 HD13 ILE 4 2HD1 ILE 4 25.190 12.400 -2.670
58 H ILE 5 H ILE 5 23.440 13.096 -4.782
59 HA ILE 5 HA ILE 5 25.822 11.492 -5.402
60 HB ILE 5 HB ILE 5 24.471 13.138 -7.522
61 HG12 ILE 5 1HG1 ILE 5 24.051 10.200 -6.933
62 HG13 ILE 5 2HG1 ILE 5 22.839 11.470 -6.808
63 HG21 ILE 5 1HG2 ILE 5 26.812 12.560 -7.868
64 HG22 ILE 5 2HG2 ILE 5 26.436 10.854 -7.633
65 HG23 ILE 5 3HG2 ILE 5 25.781 11.718 -9.024
66 HD11 ILE 5 3HD1 ILE 5 22.403 10.353 -8.822
67 HD12 ILE 5 1HD1 ILE 5 23.196 11.860 -9.279
68 HD13 ILE 5 2HD1 ILE 5 24.105 10.348 -9.282
69 H LEU 6 H LEU 6 27.689 12.684 -5.939
70 HA LEU 6 HA LEU 6 27.530 15.568 -5.358
71 HB2 LEU 6 1HB LEU 6 30.089 14.798 -4.651
72 HB3 LEU 6 2HB LEU 6 28.766 15.189 -3.556
73 HG LEU 6 HG LEU 6 29.098 12.390 -4.559
74 HD11 LEU 6 1HD1 LEU 6 30.998 13.838 -2.934
75 HD12 LEU 6 2HD1 LEU 6 31.098 12.212 -3.609
76 HD13 LEU 6 3HD1 LEU 6 30.301 12.475 -2.058
77 HD21 LEU 6 3HD2 LEU 6 27.287 13.677 -2.897
78 HD22 LEU 6 1HD2 LEU 6 28.360 12.815 -1.794
79 HD23 LEU 6 2HD2 LEU 6 27.512 11.935 -3.066
80 H TYR 7 H TYR 7 28.014 16.669 -7.131
81 HA TYR 7 HA TYR 7 29.801 15.496 -9.124
82 HB2 TYR 7 1HB TYR 7 27.998 17.921 -9.234
83 HB3 TYR 7 2HB TYR 7 29.019 17.382 -10.562
84 HD1 TYR 7 HD2 TYR 7 28.599 15.070 -11.534
85 HD2 TYR 7 HD1 TYR 7 25.862 16.999 -8.910
86 HE1 TYR 7 HE2 TYR 7 26.809 13.571 -12.308
87 HE2 TYR 7 HE1 TYR 7 24.065 15.505 -9.675
88 HH TYR 7 HH TYR 7 24.263 13.650 -12.425
89 H THR 8 H THR 8 31.888 15.872 -8.740
90 HA THR 8 HA THR 8 33.017 18.419 -8.951
91 HB THR 8 HB THR 8 33.958 18.035 -6.373
92 HG1 THR 8 HG1 THR 8 32.410 16.919 -5.437
93 HG21 THR 8 3HG2 THR 8 32.113 19.975 -6.014
94 HG22 THR 8 1HG2 THR 8 32.195 19.942 -7.775
95 HG23 THR 8 2HG2 THR 8 33.656 20.231 -6.830
96 H ARG 9 H ARG 9 35.406 18.322 -7.927
97 HA ARG 9 HA ARG 9 36.581 15.946 -9.109
98 HB2 ARG 9 1HB ARG 9 38.740 17.162 -8.687
99 HB3 ARG 9 2HB ARG 9 37.607 18.010 -9.731
100 HG2 ARG 9 1HG ARG 9 37.193 18.751 -6.984
101 HG3 ARG 9 2HG ARG 9 38.878 18.989 -7.451
102 HD2 ARG 9 1HD ARG 9 36.687 19.927 -9.253
103 HD3 ARG 9 2HD ARG 9 37.126 20.885 -7.839
104 HE ARG 9 HE ARG 9 39.374 20.148 -9.466
105 HH11 ARG 9 1HH1 ARG 9 36.809 22.459 -9.015
106 HH12 ARG 9 2HH1 ARG 9 37.636 23.734 -9.847
107 HH21 ARG 9 1HH2 ARG 9 40.472 21.819 -10.564
108 HH22 ARG 9 2HH2 ARG 9 39.719 23.369 -10.728
109 HA PRO 10 HA PRO 10 37.520 13.794 -5.402
110 HB2 PRO 10 1HB PRO 10 39.922 12.686 -6.011
111 HB3 PRO 10 2HB PRO 10 38.401 12.134 -6.723
112 HG2 PRO 10 1HG PRO 10 40.474 13.965 -7.868
113 HG3 PRO 10 2HG PRO 10 39.592 12.643 -8.654
114 HD2 PRO 10 1HD PRO 10 38.909 15.243 -8.975
115 HD3 PRO 10 2HD PRO 10 37.712 13.932 -8.996
116 H ASN 11 H ASN 11 39.380 16.427 -6.430
117 HA ASN 11 HA ASN 11 41.186 16.339 -4.140
118 HB2 ASN 11 1HB ASN 11 41.825 17.056 -6.559
119 HB3 ASN 11 2HB ASN 11 41.067 18.586 -6.130
120 HD21 ASN 11 2HD2 ASN 11 43.893 16.841 -6.114
121 HD22 ASN 11 1HD2 ASN 11 44.794 17.794 -4.991
122 H CYS 12 H CYS 12 38.746 16.507 -3.146
123 HA CYS 12 HA CYS 12 38.453 19.340 -2.387
124 HB2 CYS 12 1HB CYS 12 36.012 18.798 -2.009
125 HB3 CYS 12 2HB CYS 12 36.529 18.811 -3.692
126 HA PRO 13 HA PRO 13 39.509 17.250 1.499
127 HB2 PRO 13 1HB PRO 13 40.350 19.520 2.729
128 HB3 PRO 13 2HB PRO 13 41.369 18.594 1.620
129 HG2 PRO 13 1HG PRO 13 39.774 21.073 1.103
130 HG3 PRO 13 2HG PRO 13 41.419 20.671 0.577
131 HD2 PRO 13 1HD PRO 13 39.271 20.446 -1.057
132 HD3 PRO 13 2HD PRO 13 40.676 19.366 -1.172
133 H TYR 14 H TYR 14 37.164 19.523 0.634
134 HA TYR 14 HA TYR 14 36.100 19.781 3.344
135 HB2 TYR 14 1HB TYR 14 35.820 21.273 0.826
136 HB3 TYR 14 2HB TYR 14 34.317 21.083 1.724
137 HD1 TYR 14 HD1 TYR 14 34.462 21.667 4.282
138 HD2 TYR 14 HD2 TYR 14 37.220 23.041 1.347
139 HE1 TYR 14 HE1 TYR 14 35.109 23.519 5.766
140 HE2 TYR 14 HE2 TYR 14 37.876 24.896 2.824
141 HH TYR 14 HH TYR 14 37.836 25.299 5.401
142 H CYS 15 H CYS 15 35.652 17.969 0.470
143 HA CYS 15 HA CYS 15 32.950 17.344 0.532
144 HB2 CYS 15 1HB CYS 15 35.374 15.803 -0.358
145 HB3 CYS 15 2HB CYS 15 33.768 15.087 -0.447
146 H LYS 16 H LYS 16 35.505 16.341 2.640
147 HA LYS 16 HA LYS 16 34.585 13.975 3.698
148 HB2 LYS 16 1HB LYS 16 35.762 16.216 5.346
149 HB3 LYS 16 2HB LYS 16 35.835 14.493 5.687
150 HG2 LYS 16 1HG LYS 16 37.219 15.969 3.461
151 HG3 LYS 16 2HG LYS 16 37.961 15.193 4.862
152 HD2 LYS 16 1HD LYS 16 36.449 13.794 2.655
153 HD3 LYS 16 2HD LYS 16 38.203 13.821 2.851
154 HE2 LYS 16 1HE LYS 16 37.459 12.931 5.285
155 HE3 LYS 16 2HE LYS 16 36.149 12.279 4.302
156 HZ1 LYS 16 3HZ LYS 16 39.040 11.866 3.763
157 HZ2 LYS 16 1HZ LYS 16 37.752 11.180 2.906
158 HZ3 LYS 16 2HZ LYS 16 38.026 10.741 4.516
159 H ARG 17 H ARG 17 33.471 17.247 4.358
160 HA ARG 17 HA ARG 17 31.834 16.648 6.571
161 HB2 ARG 17 1HB ARG 17 31.912 18.879 4.568
162 HB3 ARG 17 2HB ARG 17 30.585 18.776 5.718
163 HG2 ARG 17 1HG ARG 17 33.273 18.536 6.880
164 HG3 ARG 17 2HG ARG 17 32.887 20.103 6.167
165 HD2 ARG 17 1HD ARG 17 31.269 20.558 7.704
166 HD3 ARG 17 2HD ARG 17 30.841 18.860 7.914
167 HE ARG 17 HE ARG 17 33.412 19.281 8.951
168 HH11 ARG 17 1HH1 ARG 17 30.096 20.110 9.611
169 HH12 ARG 17 2HH1 ARG 17 30.333 20.242 11.323
170 HH21 ARG 17 1HH2 ARG 17 33.737 19.452 11.203
171 HH22 ARG 17 2HH2 ARG 17 32.405 19.868 12.226
172 H ALA 18 H ALA 18 31.046 16.975 3.114
173 HA ALA 18 HA ALA 18 28.320 16.402 3.301
174 HB1 ALA 18 1HB ALA 18 28.626 15.626 0.876
175 HB2 ALA 18 2HB ALA 18 29.034 17.297 1.268
176 HB3 ALA 18 3HB ALA 18 30.313 16.098 1.081
177 H ARG 19 H ARG 19 30.989 14.188 2.455
178 HA ARG 19 HA ARG 19 29.438 11.858 2.350
179 HB2 ARG 19 1HB ARG 19 31.478 10.654 2.312
180 HB3 ARG 19 2HB ARG 19 31.805 12.179 1.501
181 HG2 ARG 19 1HG ARG 19 32.844 13.044 3.534
182 HG3 ARG 19 2HG ARG 19 32.510 11.517 4.352
183 HD2 ARG 19 1HD ARG 19 33.848 10.997 1.879
184 HD3 ARG 19 2HD ARG 19 34.755 12.205 2.789
185 HE ARG 19 HE ARG 19 34.205 10.285 4.630
186 HH11 ARG 19 1HH1 ARG 19 35.690 10.273 1.481
187 HH12 ARG 19 2HH1 ARG 19 36.725 8.929 1.831
188 HH21 ARG 19 1HH2 ARG 19 35.563 8.515 5.102
189 HH22 ARG 19 2HH2 ARG 19 36.652 7.929 3.891
190 H ASP 20 H ASP 20 30.891 13.556 5.031
191 HA ASP 20 HA ASP 20 30.716 11.480 6.945
192 HB2 ASP 20 1HB ASP 20 32.147 13.338 7.414
193 HB3 ASP 20 2HB ASP 20 30.824 14.485 7.223
194 H LEU 21 H LEU 21 28.565 14.216 6.210
195 HA LEU 21 HA LEU 21 26.615 13.639 8.141
196 HB2 LEU 21 1HB LEU 21 26.549 15.770 7.171
197 HB3 LEU 21 2HB LEU 21 26.556 15.119 5.534
198 HG LEU 21 HG LEU 21 24.211 14.474 7.230
199 HD11 LEU 21 1HD1 LEU 21 23.228 16.710 6.400
200 HD12 LEU 21 2HD1 LEU 21 24.910 17.230 6.295
201 HD13 LEU 21 3HD1 LEU 21 24.243 16.711 7.843
202 HD21 LEU 21 3HD2 LEU 21 24.021 13.600 5.105
203 HD22 LEU 21 1HD2 LEU 21 24.824 14.976 4.350
204 HD23 LEU 21 2HD2 LEU 21 23.168 15.135 4.935
205 H LEU 22 H LEU 22 26.687 12.829 4.671
206 HA LEU 22 HA LEU 22 24.306 11.368 4.608
207 HB2 LEU 22 1HB LEU 22 26.725 10.770 2.925
208 HB3 LEU 22 2HB LEU 22 25.030 10.510 2.518
209 HG LEU 22 HG LEU 22 25.915 13.302 3.017
210 HD11 LEU 22 1HD1 LEU 22 26.545 13.408 0.556
211 HD12 LEU 22 2HD1 LEU 22 26.715 11.655 0.638
212 HD13 LEU 22 3HD1 LEU 22 27.722 12.686 1.653
213 HD21 LEU 22 3HD2 LEU 22 23.587 12.145 2.218
214 HD22 LEU 22 1HD2 LEU 22 24.313 12.580 0.670
215 HD23 LEU 22 2HD2 LEU 22 24.042 13.819 1.895
216 H ASP 23 H ASP 23 27.646 10.131 4.820
217 HA ASP 23 HA ASP 23 27.017 7.445 5.170
218 HB2 ASP 23 1HB ASP 23 29.303 8.440 4.743
219 HB3 ASP 23 2HB ASP 23 29.367 8.841 6.457
220 H LYS 24 H LYS 24 26.960 10.088 7.438
221 HA LYS 24 HA LYS 24 26.887 8.521 9.810
222 HB2 LYS 24 1HB LYS 24 27.522 10.880 9.851
223 HB3 LYS 24 2HB LYS 24 25.918 11.339 9.293
224 HG2 LYS 24 1HG LYS 24 25.955 9.713 11.735
225 HG3 LYS 24 2HG LYS 24 26.698 11.308 11.883
226 HD2 LYS 24 1HD LYS 24 24.076 11.135 10.502
227 HD3 LYS 24 2HD LYS 24 24.093 10.912 12.253
228 HE2 LYS 24 1HE LYS 24 25.281 13.052 12.492
229 HE3 LYS 24 2HE LYS 24 25.211 13.275 10.745
230 HZ1 LYS 24 3HZ LYS 24 22.629 12.734 11.762
231 HZ2 LYS 24 1HZ LYS 24 23.178 14.098 10.925
232 HZ3 LYS 24 2HZ LYS 24 23.313 14.029 12.609
233 H LYS 25 H LYS 25 24.407 9.896 7.704
234 HA LYS 25 HA LYS 25 22.206 9.125 9.339
235 HB2 LYS 25 1HB LYS 25 22.326 9.811 6.396
236 HB3 LYS 25 2HB LYS 25 20.843 9.621 7.323
237 HG2 LYS 25 1HG LYS 25 22.965 11.722 7.693
238 HG3 LYS 25 2HG LYS 25 21.315 11.951 7.107
239 HD2 LYS 25 1HD LYS 25 22.108 11.031 9.871
240 HD3 LYS 25 2HD LYS 25 21.523 12.640 9.440
241 HE2 LYS 25 1HE LYS 25 19.489 11.292 8.473
242 HE3 LYS 25 2HE LYS 25 20.044 10.054 9.598
243 HZ1 LYS 25 3HZ LYS 25 19.812 11.590 11.408
244 HZ2 LYS 25 1HZ LYS 25 18.354 11.542 10.551
245 HZ3 LYS 25 2HZ LYS 25 19.406 12.852 10.358
246 H GLY 26 H GLY 26 24.034 7.577 6.787
247 HA2 GLY 26 1HA GLY 26 24.156 5.184 6.682
248 HA3 GLY 26 2HA GLY 26 22.514 5.110 7.302
249 H VAL 27 H VAL 27 24.076 6.780 4.564
250 HA VAL 27 HA VAL 27 22.169 5.434 2.772
251 HB VAL 27 HB VAL 27 22.268 7.659 1.430
252 HG11 VAL 27 1HG1 VAL 27 20.666 7.437 3.977
253 HG12 VAL 27 2HG1 VAL 27 20.287 8.485 2.609
254 HG13 VAL 27 3HG1 VAL 27 20.241 6.732 2.418
255 HG21 VAL 27 3HG2 VAL 27 22.465 9.657 2.833
256 HG22 VAL 27 1HG2 VAL 27 22.909 8.646 4.208
257 HG23 VAL 27 2HG2 VAL 27 23.971 8.739 2.803
258 H LYS 28 H LYS 28 22.844 5.609 0.449
259 HA LYS 28 HA LYS 28 25.760 5.281 0.268
260 HB2 LYS 28 1HB LYS 28 23.449 3.973 -1.051
261 HB3 LYS 28 2HB LYS 28 24.876 4.228 -2.048
262 HG2 LYS 28 1HG LYS 28 25.274 3.024 0.631
263 HG3 LYS 28 2HG LYS 28 24.520 2.029 -0.616
264 HD2 LYS 28 1HD LYS 28 26.401 2.329 -2.076
265 HD3 LYS 28 2HD LYS 28 27.123 3.508 -0.979
266 HE2 LYS 28 1HE LYS 28 28.310 1.676 -0.346
267 HE3 LYS 28 2HE LYS 28 26.918 1.471 0.716
268 HZ1 LYS 28 3HZ LYS 28 27.841 -0.415 -0.943
269 HZ2 LYS 28 1HZ LYS 28 26.635 0.281 -1.904
270 HZ3 LYS 28 2HZ LYS 28 26.246 -0.345 -0.382
271 H TYR 29 H TYR 29 26.696 7.110 -0.390
272 HA TYR 29 HA TYR 29 25.347 8.811 -2.344
273 HB2 TYR 29 1HB TYR 29 26.992 10.493 -1.781
274 HB3 TYR 29 2HB TYR 29 26.330 9.823 -0.294
275 HD1 TYR 29 HD2 TYR 29 29.287 9.908 -2.491
276 HD2 TYR 29 HD1 TYR 29 27.712 8.619 1.245
277 HE1 TYR 29 HE2 TYR 29 31.564 9.401 -1.713
278 HE2 TYR 29 HE1 TYR 29 29.985 8.109 2.034
279 HH TYR 29 HH TYR 29 32.147 8.114 1.548
280 H THR 30 H THR 30 26.233 9.368 -4.325
281 HA THR 30 HA THR 30 28.373 7.579 -5.271
282 HB THR 30 HB THR 30 26.147 8.907 -6.829
283 HG1 THR 30 HG1 THR 30 26.668 6.131 -6.538
284 HG21 THR 30 3HG2 THR 30 28.464 7.209 -7.751
285 HG22 THR 30 1HG2 THR 30 28.084 8.861 -8.236
286 HG23 THR 30 2HG2 THR 30 27.034 7.533 -8.731
287 H ASP 31 H ASP 31 30.268 8.496 -5.663
288 HA ASP 31 HA ASP 31 30.490 11.381 -5.842
289 HB2 ASP 31 1HB ASP 31 32.117 10.268 -4.465
290 HB3 ASP 31 2HB ASP 31 32.556 9.177 -5.776
291 H ILE 32 H ILE 32 30.630 12.498 -7.670
292 HA ILE 32 HA ILE 32 31.154 11.023 -10.165
293 HB ILE 32 HB ILE 32 29.640 13.612 -9.808
294 HG12 ILE 32 1HG1 ILE 32 28.477 11.577 -8.940
295 HG13 ILE 32 2HG1 ILE 32 27.643 12.345 -10.287
296 HG21 ILE 32 1HG2 ILE 32 30.644 12.150 -12.162
297 HG22 ILE 32 2HG2 ILE 32 28.984 12.733 -12.266
298 HG23 ILE 32 3HG2 ILE 32 30.298 13.867 -11.952
299 HD11 ILE 32 3HD1 ILE 32 29.474 10.331 -11.223
300 HD12 ILE 32 1HD1 ILE 32 28.342 9.670 -10.044
301 HD13 ILE 32 2HD1 ILE 32 27.738 10.488 -11.485
302 H ASP 33 H ASP 33 33.079 11.379 -11.028
303 HA ASP 33 HA ASP 33 34.953 13.222 -10.165
304 HB2 ASP 33 1HB ASP 33 36.024 12.829 -12.455
305 HB3 ASP 33 2HB ASP 33 35.745 11.408 -11.452
306 H ALA 34 H ALA 34 35.616 15.241 -10.830
307 HA ALA 34 HA ALA 34 33.654 17.043 -11.699
308 HB1 ALA 34 1HB ALA 34 36.582 17.180 -11.228
309 HB2 ALA 34 2HB ALA 34 35.832 18.484 -12.151
310 HB3 ALA 34 3HB ALA 34 35.273 18.125 -10.517
311 H SER 35 H SER 35 35.662 14.926 -13.470
312 HA SER 35 HA SER 35 36.171 16.211 -15.839
313 HB2 SER 35 1HB SER 35 35.344 13.346 -15.348
314 HB3 SER 35 2HB SER 35 35.894 13.933 -16.917
315 HG SER 35 HG SER 35 37.544 12.984 -15.515
316 H THR 36 H THR 36 34.829 17.451 -16.966
317 HA THR 36 HA THR 36 32.022 17.257 -16.933
318 HB THR 36 HB THR 36 32.032 18.868 -18.771
319 HG1 THR 36 HG1 THR 36 34.085 19.489 -19.660
320 HG21 THR 36 3HG2 THR 36 32.405 20.338 -17.136
321 HG22 THR 36 1HG2 THR 36 34.123 20.254 -17.523
322 HG23 THR 36 2HG2 THR 36 33.446 19.200 -16.282
323 H SER 37 H SER 37 34.430 15.655 -18.824
324 HA SER 37 HA SER 37 33.127 15.008 -21.154
325 HB2 SER 37 1HB SER 37 34.517 12.993 -21.234
326 HB3 SER 37 2HB SER 37 35.458 14.365 -20.649
327 HG SER 37 HG SER 37 35.863 13.189 -18.969
328 H LEU 38 H LEU 38 32.576 13.760 -17.939
329 HA LEU 38 HA LEU 38 30.339 12.165 -18.999
330 HB2 LEU 38 1HB LEU 38 32.408 11.478 -16.966
331 HB3 LEU 38 2HB LEU 38 30.786 10.811 -16.793
332 HG LEU 38 HG LEU 38 32.490 10.453 -19.254
333 HD11 LEU 38 1HD1 LEU 38 32.558 8.042 -18.233
334 HD12 LEU 38 2HD1 LEU 38 32.345 8.908 -16.712
335 HD13 LEU 38 3HD1 LEU 38 33.733 9.262 -17.741
336 HD21 LEU 38 3HD2 LEU 38 30.249 10.114 -19.838
337 HD22 LEU 38 1HD2 LEU 38 29.875 9.325 -18.305
338 HD23 LEU 38 2HD2 LEU 38 30.865 8.495 -19.506
339 H ARG 39 H ARG 39 31.587 14.171 -16.402
340 HA ARG 39 HA ARG 39 29.364 14.081 -14.692
341 HB2 ARG 39 1HB ARG 39 31.615 15.014 -14.122
342 HB3 ARG 39 2HB ARG 39 31.231 16.419 -15.107
343 HG2 ARG 39 1HG ARG 39 29.115 15.959 -13.239
344 HG3 ARG 39 2HG ARG 39 30.663 16.002 -12.391
345 HD2 ARG 39 1HD ARG 39 29.877 18.088 -14.407
346 HD3 ARG 39 2HD ARG 39 29.441 18.217 -12.704
347 HE ARG 39 HE ARG 39 32.100 17.810 -12.598
348 HH11 ARG 39 1HH1 ARG 39 30.125 20.028 -14.417
349 HH12 ARG 39 2HH1 ARG 39 31.338 21.264 -14.474
350 HH21 ARG 39 1HH2 ARG 39 33.704 19.430 -12.667
351 HH22 ARG 39 2HH2 ARG 39 33.373 20.923 -13.479
352 H GLN 40 H GLN 40 30.054 16.029 -17.535
353 HA GLN 40 HA GLN 40 27.942 17.878 -17.233
354 HB2 GLN 40 1HB GLN 40 29.886 18.189 -18.752
355 HB3 GLN 40 2HB GLN 40 29.235 16.933 -19.796
356 HG2 GLN 40 1HG GLN 40 28.046 18.455 -20.863
357 HG3 GLN 40 2HG GLN 40 27.170 18.804 -19.374
358 HE21 GLN 40 2HE2 GLN 40 28.296 20.436 -21.697
359 HE22 GLN 40 1HE2 GLN 40 29.121 21.737 -20.915
360 H GLU 41 H GLU 41 28.167 14.752 -18.868
361 HA GLU 41 HA GLU 41 25.555 14.857 -19.996
362 HB2 GLU 41 1HB GLU 41 26.995 12.293 -19.397
363 HB3 GLU 41 2HB GLU 41 25.939 12.677 -20.749
364 HG2 GLU 41 1HG GLU 41 27.714 14.284 -21.528
365 HG3 GLU 41 2HG GLU 41 28.769 13.577 -20.306
366 H MET 42 H MET 42 26.895 13.629 -16.989
367 HA MET 42 HA MET 42 24.515 12.273 -16.171
368 HB2 MET 42 1HB MET 42 26.969 11.928 -15.379
369 HB3 MET 42 2HB MET 42 26.620 13.242 -14.264
370 HG2 MET 42 1HG MET 42 25.809 11.727 -12.874
371 HG3 MET 42 2HG MET 42 24.467 11.516 -13.996
372 HE1 MET 42 3HE MET 42 28.073 10.870 -13.584
373 HE2 MET 42 1HE MET 42 28.204 9.125 -13.368
374 HE3 MET 42 2HE MET 42 28.296 9.822 -14.985
375 H VAL 43 H VAL 43 26.046 15.341 -15.208
376 HA VAL 43 HA VAL 43 24.057 16.149 -13.400
377 HB VAL 43 HB VAL 43 26.324 17.175 -13.580
378 HG11 VAL 43 1HG1 VAL 43 26.900 18.683 -15.269
379 HG12 VAL 43 2HG1 VAL 43 26.129 17.352 -16.133
380 HG13 VAL 43 3HG1 VAL 43 25.234 18.841 -15.825
381 HG21 VAL 43 3HG2 VAL 43 25.519 19.532 -13.219
382 HG22 VAL 43 1HG2 VAL 43 23.908 18.970 -13.663
383 HG23 VAL 43 2HG2 VAL 43 24.714 18.304 -12.243
384 H GLN 44 H GLN 44 24.371 16.583 -16.881
385 HA GLN 44 HA GLN 44 22.124 18.348 -17.099
386 HB2 GLN 44 1HB GLN 44 22.500 18.316 -19.419
387 HB3 GLN 44 2HB GLN 44 24.102 18.166 -18.709
388 HG2 GLN 44 1HG GLN 44 24.048 15.755 -19.093
389 HG3 GLN 44 2HG GLN 44 22.443 15.906 -19.806
390 HE21 GLN 44 2HE2 GLN 44 22.273 16.366 -21.906
391 HE22 GLN 44 1HE2 GLN 44 23.593 16.769 -22.944
392 H ARG 45 H ARG 45 22.654 14.890 -17.393
393 HA ARG 45 HA ARG 45 20.012 14.360 -18.404
394 HB2 ARG 45 1HB ARG 45 21.924 12.909 -18.966
395 HB3 ARG 45 2HB ARG 45 22.080 12.467 -17.271
396 HG2 ARG 45 1HG ARG 45 20.944 10.736 -18.561
397 HG3 ARG 45 2HG ARG 45 19.892 11.418 -17.319
398 HD2 ARG 45 1HD ARG 45 18.732 12.744 -18.942
399 HD3 ARG 45 2HD ARG 45 19.884 12.298 -20.200
400 HE ARG 45 HE ARG 45 18.870 9.916 -19.410
401 HH11 ARG 45 1HH1 ARG 45 17.430 12.913 -20.443
402 HH12 ARG 45 2HH1 ARG 45 16.033 12.155 -21.132
403 HH21 ARG 45 1HH2 ARG 45 17.035 8.907 -20.314
404 HH22 ARG 45 2HH2 ARG 45 15.809 9.876 -21.057
405 H ALA 46 H ALA 46 21.367 14.937 -15.348
406 HA ALA 46 HA ALA 46 19.199 13.535 -13.955
407 HB1 ALA 46 1HB ALA 46 20.588 14.314 -11.905
408 HB2 ALA 46 2HB ALA 46 21.174 12.975 -12.893
409 HB3 ALA 46 3HB ALA 46 21.862 14.586 -13.095
410 H ASN 47 H ASN 47 20.648 16.737 -14.349
411 HA ASN 47 HA ASN 47 18.482 17.940 -12.798
412 HB2 ASN 47 1HB ASN 47 19.957 19.545 -12.270
413 HB3 ASN 47 2HB ASN 47 21.186 18.546 -13.040
414 HD21 ASN 47 2HD2 ASN 47 22.187 19.296 -14.790
415 HD22 ASN 47 1HD2 ASN 47 21.755 20.735 -15.643
416 H GLY 48 H GLY 48 19.848 17.926 -16.056
417 HA2 GLY 48 1HA GLY 48 17.885 18.018 -17.721
418 HA3 GLY 48 2HA GLY 48 17.593 19.582 -16.974
419 H ARG 49 H ARG 49 19.429 21.142 -17.050
420 HA ARG 49 HA ARG 49 20.774 20.924 -19.656
421 HB2 ARG 49 1HB ARG 49 20.887 23.362 -19.643
422 HB3 ARG 49 2HB ARG 49 19.229 22.817 -19.428
423 HG2 ARG 49 1HG ARG 49 19.591 23.131 -16.943
424 HG3 ARG 49 2HG ARG 49 21.083 23.970 -17.370
425 HD2 ARG 49 1HD ARG 49 19.726 25.777 -17.360
426 HD3 ARG 49 2HD ARG 49 19.374 25.238 -19.001
427 HE ARG 49 HE ARG 49 17.622 24.000 -17.158
428 HH11 ARG 49 1HH1 ARG 49 18.252 27.048 -18.716
429 HH12 ARG 49 2HH1 ARG 49 16.604 27.578 -18.636
430 HH21 ARG 49 1HH2 ARG 49 15.449 24.686 -17.046
431 HH22 ARG 49 2HH2 ARG 49 15.011 26.234 -17.686
432 H ASN 50 H ASN 50 22.921 20.783 -19.743
433 HA ASN 50 HA ASN 50 24.545 20.303 -17.578
434 HB2 ASN 50 1HB ASN 50 26.441 20.659 -19.060
435 HB3 ASN 50 2HB ASN 50 25.157 19.826 -19.930
436 HD21 ASN 50 2HD2 ASN 50 26.709 22.932 -19.428
437 HD22 ASN 50 1HD2 ASN 50 26.247 23.618 -20.945
438 H THR 51 H THR 51 25.814 21.490 -16.225
439 HA THR 51 HA THR 51 26.280 24.295 -16.616
440 HB THR 51 HB THR 51 24.938 23.970 -14.034
441 HG1 THR 51 HG1 THR 51 23.277 22.934 -14.869
442 HG21 THR 51 3HG2 THR 51 25.731 26.069 -15.437
443 HG22 THR 51 1HG2 THR 51 24.318 26.148 -14.386
444 HG23 THR 51 2HG2 THR 51 24.112 25.924 -16.123
445 H PHE 52 H PHE 52 26.923 25.106 -14.109
446 HA PHE 52 HA PHE 52 29.424 23.928 -13.672
447 HB2 PHE 52 1HB PHE 52 27.730 25.892 -12.201
448 HB3 PHE 52 2HB PHE 52 29.096 25.180 -11.349
449 HD1 PHE 52 HD2 PHE 52 28.278 26.842 -14.582
450 HD2 PHE 52 HD1 PHE 52 31.154 26.192 -11.512
451 HE1 PHE 52 HE2 PHE 52 29.786 28.463 -15.656
452 HE2 PHE 52 HE1 PHE 52 32.666 27.813 -12.581
453 HZ PHE 52 HZ PHE 52 31.983 28.950 -14.656
454 HA PRO 53 HA PRO 53 28.755 20.501 -11.019
455 HB2 PRO 53 1HB PRO 53 30.792 20.723 -9.238
456 HB3 PRO 53 2HB PRO 53 31.036 20.246 -10.923
457 HG2 PRO 53 1HG PRO 53 31.413 22.924 -9.639
458 HG3 PRO 53 2HG PRO 53 32.446 22.092 -10.816
459 HD2 PRO 53 1HD PRO 53 30.725 24.059 -11.522
460 HD3 PRO 53 2HD PRO 53 31.122 22.707 -12.600
461 H GLN 54 H GLN 54 28.178 19.815 -8.865
462 HA GLN 54 HA GLN 54 27.963 21.506 -6.648
463 HB2 GLN 54 1HB GLN 54 25.397 21.718 -6.725
464 HB3 GLN 54 2HB GLN 54 26.350 22.838 -7.689
465 HG2 GLN 54 1HG GLN 54 24.422 22.020 -8.921
466 HG3 GLN 54 2HG GLN 54 25.931 21.514 -9.680
467 HE21 GLN 54 2HE2 GLN 54 24.002 20.249 -6.984
468 HE22 GLN 54 1HE2 GLN 54 23.853 18.648 -7.617
469 H ILE 55 H ILE 55 26.058 20.617 -5.140
470 HA ILE 55 HA ILE 55 26.464 17.721 -5.086
471 HB ILE 55 HB ILE 55 25.382 19.574 -2.960
472 HG12 ILE 55 1HG1 ILE 55 27.643 18.647 -1.904
473 HG13 ILE 55 2HG1 ILE 55 28.087 18.492 -3.600
474 HG21 ILE 55 1HG2 ILE 55 24.423 17.608 -2.324
475 HG22 ILE 55 2HG2 ILE 55 25.644 16.624 -3.129
476 HG23 ILE 55 3HG2 ILE 55 26.011 17.396 -1.587
477 HD11 ILE 55 3HD1 ILE 55 27.965 20.784 -3.963
478 HD12 ILE 55 1HD1 ILE 55 27.005 21.059 -2.510
479 HD13 ILE 55 2HD1 ILE 55 28.713 20.642 -2.372
480 H PHE 56 H PHE 56 24.944 16.458 -5.904
481 HA PHE 56 HA PHE 56 22.209 17.454 -6.151
482 HB2 PHE 56 1HB PHE 56 23.861 15.876 -7.794
483 HB3 PHE 56 2HB PHE 56 22.592 14.801 -7.216
484 HD1 PHE 56 HD1 PHE 56 20.274 15.178 -7.809
485 HD2 PHE 56 HD2 PHE 56 23.358 17.741 -9.235
486 HE1 PHE 56 HE1 PHE 56 18.727 16.100 -9.486
487 HE2 PHE 56 HE2 PHE 56 21.816 18.668 -10.913
488 HZ PHE 56 HZ PHE 56 19.497 17.849 -11.040
489 H ILE 57 H ILE 57 20.490 16.608 -5.097
490 HA ILE 57 HA ILE 57 20.854 14.181 -3.501
491 HB ILE 57 HB ILE 57 19.607 15.336 -1.606
492 HG12 ILE 57 1HG1 ILE 57 20.644 17.822 -2.983
493 HG13 ILE 57 2HG1 ILE 57 18.955 17.324 -2.983
494 HG21 ILE 57 1HG2 ILE 57 22.440 15.665 -2.377
495 HG22 ILE 57 2HG2 ILE 57 21.867 16.652 -1.034
496 HG23 ILE 57 3HG2 ILE 57 21.731 14.896 -0.958
497 HD11 ILE 57 3HD1 ILE 57 18.990 18.849 -1.277
498 HD12 ILE 57 1HD1 ILE 57 19.249 17.344 -0.395
499 HD13 ILE 57 2HD1 ILE 57 20.615 18.399 -0.761
500 H GLY 58 H GLY 58 19.224 12.834 -3.865
501 HA2 GLY 58 1HA GLY 58 17.199 12.040 -4.618
502 HA3 GLY 58 2HA GLY 58 16.536 13.330 -3.625
503 H ASP 59 H ASP 59 18.468 13.533 -6.592
504 HA ASP 59 HA ASP 59 18.032 14.437 -8.635
505 HB2 ASP 59 1HB ASP 59 15.088 14.296 -8.015
506 HB3 ASP 59 2HB ASP 59 15.882 14.199 -9.584
507 H TYR 60 H TYR 60 18.350 16.089 -6.272
508 HA TYR 60 HA TYR 60 17.154 18.542 -7.333
509 HB2 TYR 60 1HB TYR 60 15.647 18.079 -5.571
510 HB3 TYR 60 2HB TYR 60 16.937 17.553 -4.495
511 HD1 TYR 60 HD1 TYR 60 15.206 20.447 -5.929
512 HD2 TYR 60 HD2 TYR 60 18.292 19.167 -3.295
513 HE1 TYR 60 HE1 TYR 60 15.321 22.711 -4.973
514 HE2 TYR 60 HE2 TYR 60 18.414 21.426 -2.330
515 HH TYR 60 HH TYR 60 16.381 23.518 -2.279
516 H HIS 61 H HIS 61 18.895 19.658 -7.931
517 HA HIS 61 HA HIS 61 21.465 19.385 -6.810
518 HB2 HIS 61 1HB HIS 61 21.931 21.544 -8.066
519 HB3 HIS 61 2HB HIS 61 21.326 20.204 -9.035
520 HD1 HIS 61 HD1 HIS 61 18.917 20.418 -9.980
521 HD2 HIS 61 HD2 HIS 61 20.245 23.757 -7.896
522 HE1 HIS 61 HE1 HIS 61 17.286 22.250 -10.536
523 H VAL 62 H VAL 62 22.601 20.609 -5.345
524 HA VAL 62 HA VAL 62 20.969 22.344 -3.625
525 HB VAL 62 HB VAL 62 23.592 20.967 -3.032
526 HG11 VAL 62 1HG1 VAL 62 23.039 21.666 -0.668
527 HG12 VAL 62 2HG1 VAL 62 23.543 22.960 -1.757
528 HG13 VAL 62 3HG1 VAL 62 21.836 22.751 -1.363
529 HG21 VAL 62 3HG2 VAL 62 22.030 19.259 -3.010
530 HG22 VAL 62 1HG2 VAL 62 22.012 19.798 -1.330
531 HG23 VAL 62 2HG2 VAL 62 20.736 20.310 -2.434
532 H GLY 63 H GLY 63 23.880 22.236 -5.564
533 HA2 GLY 63 1HA GLY 63 24.726 24.211 -6.612
534 HA3 GLY 63 2HA GLY 63 24.101 25.153 -5.267
535 H GLY 64 H GLY 64 25.157 24.741 -3.124
536 HA2 GLY 64 1HA GLY 64 28.035 24.194 -3.523
537 HA3 GLY 64 2HA GLY 64 27.442 25.486 -2.489
538 H CYS 65 H CYS 65 29.187 23.236 -1.827
539 HA CYS 65 HA CYS 65 27.837 21.229 -0.413
540 HB2 CYS 65 1HB CYS 65 30.510 21.939 -0.901
541 HB3 CYS 65 2HB CYS 65 30.343 21.918 0.850
542 HG CYS 65 HG CYS 65 30.882 19.418 -1.081
543 H ASP 66 H ASP 66 28.820 24.471 0.509
544 HA ASP 66 HA ASP 66 28.322 24.195 3.288
545 HB2 ASP 66 1HB ASP 66 29.729 25.991 2.513
546 HB3 ASP 66 2HB ASP 66 28.435 26.633 1.506
547 H ASP 67 H ASP 67 26.296 24.783 0.541
548 HA ASP 67 HA ASP 67 24.089 25.918 1.924
549 HB2 ASP 67 1HB ASP 67 24.696 25.044 -0.781
550 HB3 ASP 67 2HB ASP 67 23.050 24.625 -0.314
551 H LEU 68 H LEU 68 25.050 22.628 1.134
552 HA LEU 68 HA LEU 68 22.620 21.386 1.909
553 HB2 LEU 68 1HB LEU 68 23.644 19.417 1.427
554 HB3 LEU 68 2HB LEU 68 24.700 20.516 0.542
555 HG LEU 68 HG LEU 68 26.067 20.460 2.806
556 HD11 LEU 68 1HD1 LEU 68 25.912 17.877 3.418
557 HD12 LEU 68 2HD1 LEU 68 24.229 18.142 2.964
558 HD13 LEU 68 3HD1 LEU 68 24.957 19.106 4.249
559 HD21 LEU 68 3HD2 LEU 68 26.177 19.091 0.302
560 HD22 LEU 68 1HD2 LEU 68 26.769 18.023 1.574
561 HD23 LEU 68 2HD2 LEU 68 27.503 19.610 1.345
562 H TYR 69 H TYR 69 25.548 22.283 3.625
563 HA TYR 69 HA TYR 69 24.925 20.857 6.016
564 HB2 TYR 69 1HB TYR 69 26.759 23.240 5.722
565 HB3 TYR 69 2HB TYR 69 26.787 22.028 6.998
566 HD1 TYR 69 HD2 TYR 69 26.529 19.541 5.406
567 HD2 TYR 69 HD1 TYR 69 28.855 23.035 4.711
568 HE1 TYR 69 HE2 TYR 69 28.136 18.206 4.107
569 HE2 TYR 69 HE1 TYR 69 30.468 21.710 3.410
570 HH TYR 69 HH TYR 69 31.049 19.683 2.713
571 H ALA 70 H ALA 70 24.795 24.313 5.159
572 HA ALA 70 HA ALA 70 23.641 25.202 7.553
573 HB1 ALA 70 1HB ALA 70 22.731 26.849 5.429
574 HB2 ALA 70 2HB ALA 70 24.033 27.155 6.579
575 HB3 ALA 70 3HB ALA 70 24.376 26.334 5.057
576 H LEU 71 H LEU 71 22.185 24.018 4.564
577 HA LEU 71 HA LEU 71 19.511 24.659 5.211
578 HB2 LEU 71 1HB LEU 71 20.810 22.756 3.305
579 HB3 LEU 71 2HB LEU 71 19.064 22.717 3.542
580 HG LEU 71 HG LEU 71 20.633 25.117 2.602
581 HD11 LEU 71 1HD1 LEU 71 20.722 23.900 0.705
582 HD12 LEU 71 2HD1 LEU 71 19.056 24.450 0.533
583 HD13 LEU 71 3HD1 LEU 71 19.392 22.847 1.187
584 HD21 LEU 71 3HD2 LEU 71 18.069 24.913 3.741
585 HD22 LEU 71 1HD2 LEU 71 17.833 25.154 2.010
586 HD23 LEU 71 2HD2 LEU 71 18.792 26.308 2.938
587 H GLU 72 H GLU 72 21.287 21.575 5.430
588 HA GLU 72 HA GLU 72 19.267 20.045 6.565
589 HB2 GLU 72 1HB GLU 72 21.189 18.908 5.798
590 HB3 GLU 72 2HB GLU 72 22.265 19.897 6.775
591 HG2 GLU 72 1HG GLU 72 20.238 18.183 8.125
592 HG3 GLU 72 2HG GLU 72 21.701 17.448 7.472
593 H ASN 73 H ASN 73 21.573 22.232 8.084
594 HA ASN 73 HA ASN 73 20.708 21.556 10.754
595 HB2 ASN 73 1HB ASN 73 23.040 22.511 9.830
596 HB3 ASN 73 2HB ASN 73 22.269 24.035 10.258
597 HD21 ASN 73 2HD2 ASN 73 24.554 22.469 11.405
598 HD22 ASN 73 1HD2 ASN 73 24.191 22.345 13.089
599 H LYS 74 H LYS 74 19.792 23.763 8.292
600 HA LYS 74 HA LYS 74 18.541 25.677 10.043
601 HB2 LYS 74 1HB LYS 74 19.404 26.408 7.889
602 HB3 LYS 74 2HB LYS 74 18.350 25.276 7.052
603 HG2 LYS 74 1HG LYS 74 17.096 27.283 8.845
604 HG3 LYS 74 2HG LYS 74 17.743 27.830 7.296
605 HD2 LYS 74 1HD LYS 74 16.108 26.825 6.125
606 HD3 LYS 74 2HD LYS 74 16.141 25.380 7.138
607 HE2 LYS 74 1HE LYS 74 14.428 26.093 8.386
608 HE3 LYS 74 2HE LYS 74 15.102 27.716 8.531
609 HZ1 LYS 74 3HZ LYS 74 14.308 27.867 6.056
610 HZ2 LYS 74 1HZ LYS 74 13.231 28.144 7.331
611 HZ3 LYS 74 2HZ LYS 74 13.238 26.649 6.539
612 H GLY 75 H GLY 75 17.664 22.699 8.548
613 HA2 GLY 75 1HA GLY 75 15.622 21.782 9.797
614 HA3 GLY 75 2HA GLY 75 14.817 23.195 9.129
615 H LYS 76 H LYS 76 16.959 22.379 6.832
616 HA LYS 76 HA LYS 76 14.933 21.142 5.195
617 HB2 LYS 76 1HB LYS 76 17.518 22.460 4.779
618 HB3 LYS 76 2HB LYS 76 17.253 21.086 3.714
619 HG2 LYS 76 1HG LYS 76 16.525 23.188 2.703
620 HG3 LYS 76 2HG LYS 76 15.182 22.062 2.920
621 HD2 LYS 76 1HD LYS 76 14.361 23.265 4.793
622 HD3 LYS 76 2HD LYS 76 15.833 24.233 4.902
623 HE2 LYS 76 1HE LYS 76 13.951 25.483 3.921
624 HE3 LYS 76 2HE LYS 76 15.311 25.328 2.810
625 HZ1 LYS 76 3HZ LYS 76 14.115 24.099 1.389
626 HZ2 LYS 76 1HZ LYS 76 12.774 24.770 2.172
627 HZ3 LYS 76 2HZ LYS 76 13.327 23.232 2.610
628 H LEU 77 H LEU 77 16.867 19.905 7.477
629 HA LEU 77 HA LEU 77 18.248 17.769 6.434
630 HB2 LEU 77 1HB LEU 77 18.356 18.329 8.770
631 HB3 LEU 77 2HB LEU 77 16.652 17.931 8.984
632 HG LEU 77 HG LEU 77 18.071 15.647 7.972
633 HD11 LEU 77 1HD1 LEU 77 19.374 17.178 10.152
634 HD12 LEU 77 2HD1 LEU 77 20.078 16.129 8.922
635 HD13 LEU 77 3HD1 LEU 77 19.272 15.425 10.324
636 HD21 LEU 77 3HD2 LEU 77 17.210 14.705 10.152
637 HD22 LEU 77 1HD2 LEU 77 15.994 15.392 9.074
638 HD23 LEU 77 2HD2 LEU 77 16.543 16.305 10.480
639 H ASP 78 H ASP 78 14.800 17.944 7.234
640 HA ASP 78 HA ASP 78 14.040 15.334 6.824
641 HB2 ASP 78 1HB ASP 78 12.626 17.934 6.281
642 HB3 ASP 78 2HB ASP 78 11.845 16.389 5.954
643 H SER 79 H SER 79 14.281 17.896 4.366
644 HA SER 79 HA SER 79 13.555 16.254 2.185
645 HB2 SER 79 1HB SER 79 13.440 18.703 2.073
646 HB3 SER 79 2HB SER 79 15.195 18.801 2.210
647 HG SER 79 HG SER 79 14.216 18.887 0.018
648 H LEU 80 H LEU 80 16.677 17.130 3.589
649 HA LEU 80 HA LEU 80 18.323 15.981 1.632
650 HB2 LEU 80 1HB LEU 80 18.627 16.802 4.458
651 HB3 LEU 80 2HB LEU 80 19.832 15.683 3.823
652 HG LEU 80 HG LEU 80 20.445 18.123 3.745
653 HD11 LEU 80 1HD1 LEU 80 21.851 17.003 2.382
654 HD12 LEU 80 2HD1 LEU 80 20.960 17.862 1.126
655 HD13 LEU 80 3HD1 LEU 80 20.545 16.194 1.516
656 HD21 LEU 80 3HD2 LEU 80 17.971 18.566 2.841
657 HD22 LEU 80 1HD2 LEU 80 18.812 18.429 1.297
658 HD23 LEU 80 2HD2 LEU 80 19.328 19.634 2.478
659 H LEU 81 H LEU 81 16.956 14.618 4.607
660 HA LEU 81 HA LEU 81 18.195 12.088 4.380
661 HB2 LEU 81 1HB LEU 81 15.615 12.820 5.756
662 HB3 LEU 81 2HB LEU 81 16.541 11.343 6.014
663 HG LEU 81 HG LEU 81 17.030 14.098 7.012
664 HD11 LEU 81 1HD1 LEU 81 16.072 12.346 8.437
665 HD12 LEU 81 2HD1 LEU 81 17.641 12.895 9.026
666 HD13 LEU 81 3HD1 LEU 81 17.509 11.357 8.173
667 HD21 LEU 81 3HD2 LEU 81 19.157 12.193 6.119
668 HD22 LEU 81 1HD2 LEU 81 19.426 13.244 7.509
669 HD23 LEU 81 2HD2 LEU 81 19.071 13.945 5.930
670 H GLN 82 H GLN 82 15.041 13.310 3.331
671 HA GLN 82 HA GLN 82 14.136 10.809 2.312
672 HB2 GLN 82 1HB GLN 82 13.202 13.622 1.720
673 HB3 GLN 82 2HB GLN 82 12.361 12.158 1.228
674 HG2 GLN 82 1HG GLN 82 11.586 11.730 3.315
675 HG3 GLN 82 2HG GLN 82 12.984 12.459 4.104
676 HE21 GLN 82 2HE2 GLN 82 10.772 13.788 1.689
677 HE22 GLN 82 1HE2 GLN 82 10.220 15.105 2.661
678 H ASP 83 H ASP 83 16.217 13.260 1.121
679 HA ASP 83 HA ASP 83 15.895 12.473 -1.661
680 HB2 ASP 83 1HB ASP 83 17.330 14.648 -0.215
681 HB3 ASP 83 2HB ASP 83 17.960 14.153 -1.784
682 H VAL 84 H VAL 84 18.158 12.080 0.989
683 HA VAL 84 HA VAL 84 20.123 10.755 -0.683
684 HB VAL 84 HB VAL 84 21.422 10.479 1.364
685 HG11 VAL 84 1HG1 VAL 84 22.006 12.515 0.563
686 HG12 VAL 84 2HG1 VAL 84 20.344 13.108 0.546
687 HG13 VAL 84 3HG1 VAL 84 21.249 13.058 2.060
688 HG21 VAL 84 3HG2 VAL 84 18.890 10.704 2.615
689 HG22 VAL 84 1HG2 VAL 84 20.453 10.359 3.357
690 HG23 VAL 84 2HG2 VAL 84 19.898 12.026 3.203
691 H HIS 85 H HIS 85 17.407 9.906 1.235
692 HA HIS 85 HA HIS 85 18.244 7.104 1.406
693 HB2 HIS 85 1HB HIS 85 17.321 8.190 3.438
694 HB3 HIS 85 2HB HIS 85 15.802 8.449 2.584
695 HD1 HIS 85 HD1 HIS 85 14.651 6.103 1.711
696 HD2 HIS 85 HD2 HIS 85 17.408 5.859 4.809
697 HE1 HIS 85 HE1 HIS 85 14.233 3.880 2.809
Start of MODEL 17
1 H1 GLY -3 H GLY -3 19.858 -6.834 -2.427
2 HA2 GLY -3 1HA GLY -3 17.349 -8.384 -2.281
3 HA3 GLY -3 2HA GLY -3 17.851 -7.338 -0.961
4 HA PRO -2 HA PRO -2 15.199 -5.059 -4.155
5 HB2 PRO -2 1HB PRO -2 13.002 -4.709 -2.599
6 HB3 PRO -2 2HB PRO -2 13.221 -6.114 -3.650
7 HG2 PRO -2 1HG PRO -2 13.688 -5.862 -0.704
8 HG3 PRO -2 2HG PRO -2 12.919 -7.180 -1.606
9 HD2 PRO -2 1HD PRO -2 15.481 -7.308 -0.741
10 HD3 PRO -2 2HD PRO -2 14.938 -8.096 -2.236
11 H GLY -1 H GLY -1 13.891 -2.923 -3.526
12 HA2 GLY -1 1HA GLY -1 14.160 -1.345 -1.403
13 HA3 GLY -1 2HA GLY -1 15.804 -1.317 -2.023
14 H SER 0 H SER 0 13.042 0.385 -1.976
15 HA SER 0 HA SER 0 13.651 1.666 -4.554
16 HB2 SER 0 1HB SER 0 11.171 2.184 -4.710
17 HB3 SER 0 2HB SER 0 11.610 0.493 -4.953
18 HG SER 0 HG SER 0 10.941 0.048 -2.864
19 H MET 1 H MET 1 14.850 3.289 -3.577
20 HA MET 1 HA MET 1 13.252 5.326 -2.232
21 HB2 MET 1 1HB MET 1 15.938 4.508 -1.128
22 HB3 MET 1 2HB MET 1 14.785 5.635 -0.426
23 HG2 MET 1 1HG MET 1 13.242 3.834 0.027
24 HG3 MET 1 2HG MET 1 14.314 2.684 -0.769
25 HE1 MET 1 3HE MET 1 12.902 3.838 2.036
26 HE2 MET 1 1HE MET 1 13.525 2.435 2.907
27 HE3 MET 1 2HE MET 1 14.045 4.058 3.362
28 H LYS 2 H LYS 2 14.566 7.398 -1.997
29 HA LYS 2 HA LYS 2 15.544 8.141 -4.543
30 HB2 LYS 2 1HB LYS 2 15.475 9.495 -1.861
31 HB3 LYS 2 2HB LYS 2 16.293 10.245 -3.226
32 HG2 LYS 2 1HG LYS 2 13.583 9.309 -3.815
33 HG3 LYS 2 2HG LYS 2 13.672 10.582 -2.596
34 HD2 LYS 2 1HD LYS 2 13.613 11.902 -4.443
35 HD3 LYS 2 2HD LYS 2 15.353 11.613 -4.397
36 HE2 LYS 2 1HE LYS 2 14.661 11.236 -6.632
37 HE3 LYS 2 2HE LYS 2 14.954 9.649 -5.921
38 HZ1 LYS 2 3HZ LYS 2 12.872 9.072 -6.342
39 HZ2 LYS 2 1HZ LYS 2 12.644 10.535 -7.160
40 HZ3 LYS 2 2HZ LYS 2 12.263 10.417 -5.516
41 H GLU 3 H GLU 3 17.711 9.403 -4.683
42 HA GLU 3 HA GLU 3 19.848 8.078 -3.195
43 HB2 GLU 3 1HB GLU 3 21.058 7.414 -5.144
44 HB3 GLU 3 2HB GLU 3 19.425 6.783 -5.304
45 HG2 GLU 3 1HG GLU 3 18.961 8.908 -6.671
46 HG3 GLU 3 2HG GLU 3 20.715 9.050 -6.769
47 H ILE 4 H ILE 4 21.759 9.256 -3.059
48 HA ILE 4 HA ILE 4 21.541 12.046 -3.975
49 HB ILE 4 HB ILE 4 21.657 11.553 -1.475
50 HG12 ILE 4 1HG1 ILE 4 22.330 13.718 -2.816
51 HG13 ILE 4 2HG1 ILE 4 22.673 13.593 -1.095
52 HG21 ILE 4 1HG2 ILE 4 23.909 11.177 -0.562
53 HG22 ILE 4 2HG2 ILE 4 23.348 9.819 -1.536
54 HG23 ILE 4 3HG2 ILE 4 24.522 10.955 -2.200
55 HD11 ILE 4 3HD1 ILE 4 24.488 14.422 -2.788
56 HD12 ILE 4 1HD1 ILE 4 24.922 13.398 -1.420
57 HD13 ILE 4 2HD1 ILE 4 24.742 12.694 -3.027
58 H ILE 5 H ILE 5 23.136 12.949 -5.169
59 HA ILE 5 HA ILE 5 25.552 11.347 -5.673
60 HB ILE 5 HB ILE 5 24.238 12.963 -7.840
61 HG12 ILE 5 1HG1 ILE 5 23.796 10.043 -7.187
62 HG13 ILE 5 2HG1 ILE 5 22.586 11.321 -7.147
63 HG21 ILE 5 1HG2 ILE 5 26.604 12.350 -8.096
64 HG22 ILE 5 2HG2 ILE 5 26.169 10.650 -7.927
65 HG23 ILE 5 3HG2 ILE 5 25.582 11.576 -9.308
66 HD11 ILE 5 3HD1 ILE 5 22.209 10.140 -9.134
67 HD12 ILE 5 1HD1 ILE 5 23.035 11.621 -9.620
68 HD13 ILE 5 2HD1 ILE 5 23.926 10.100 -9.534
69 H LEU 6 H LEU 6 27.443 12.502 -6.127
70 HA LEU 6 HA LEU 6 27.303 15.376 -5.493
71 HB2 LEU 6 1HB LEU 6 29.803 13.799 -5.127
72 HB3 LEU 6 2HB LEU 6 29.251 15.241 -4.278
73 HG LEU 6 HG LEU 6 28.053 12.502 -3.891
74 HD11 LEU 6 1HD1 LEU 6 30.370 13.853 -2.590
75 HD12 LEU 6 2HD1 LEU 6 30.152 12.158 -3.027
76 HD13 LEU 6 3HD1 LEU 6 29.314 12.821 -1.623
77 HD21 LEU 6 3HD2 LEU 6 27.045 13.477 -1.926
78 HD22 LEU 6 1HD2 LEU 6 26.613 14.431 -3.345
79 HD23 LEU 6 2HD2 LEU 6 27.853 15.015 -2.235
80 H TYR 7 H TYR 7 28.351 16.814 -6.786
81 HA TYR 7 HA TYR 7 29.779 15.715 -9.118
82 HB2 TYR 7 1HB TYR 7 27.807 17.996 -8.992
83 HB3 TYR 7 2HB TYR 7 28.891 17.749 -10.356
84 HD1 TYR 7 HD2 TYR 7 28.794 15.390 -11.471
85 HD2 TYR 7 HD1 TYR 7 25.720 16.980 -8.996
86 HE1 TYR 7 HE2 TYR 7 27.185 13.823 -12.472
87 HE2 TYR 7 HE1 TYR 7 24.103 15.416 -9.989
88 HH TYR 7 HH TYR 7 25.026 13.255 -12.637
89 H THR 8 H THR 8 31.864 16.137 -8.754
90 HA THR 8 HA THR 8 32.873 18.758 -8.831
91 HB THR 8 HB THR 8 33.957 18.118 -6.334
92 HG1 THR 8 HG1 THR 8 32.096 17.858 -5.036
93 HG21 THR 8 3HG2 THR 8 33.266 20.345 -7.425
94 HG22 THR 8 1HG2 THR 8 33.106 20.197 -5.675
95 HG23 THR 8 2HG2 THR 8 31.684 20.045 -6.708
96 H ARG 9 H ARG 9 35.320 18.668 -7.928
97 HA ARG 9 HA ARG 9 36.526 16.489 -9.414
98 HB2 ARG 9 1HB ARG 9 38.657 17.743 -8.937
99 HB3 ARG 9 2HB ARG 9 37.450 18.642 -9.846
100 HG2 ARG 9 1HG ARG 9 36.878 19.959 -7.974
101 HG3 ARG 9 2HG ARG 9 37.756 18.899 -6.870
102 HD2 ARG 9 1HD ARG 9 39.599 20.104 -7.149
103 HD3 ARG 9 2HD ARG 9 39.554 19.801 -8.885
104 HE ARG 9 HE ARG 9 38.752 22.201 -7.520
105 HH11 ARG 9 1HH1 ARG 9 38.372 20.276 -10.396
106 HH12 ARG 9 2HH1 ARG 9 37.869 21.611 -11.380
107 HH21 ARG 9 1HH2 ARG 9 38.091 23.966 -8.805
108 HH22 ARG 9 2HH2 ARG 9 37.711 23.709 -10.474
109 HA PRO 10 HA PRO 10 37.737 13.979 -6.025
110 HB2 PRO 10 1HB PRO 10 40.165 13.083 -6.843
111 HB3 PRO 10 2HB PRO 10 38.647 12.534 -7.563
112 HG2 PRO 10 1HG PRO 10 40.577 14.597 -8.554
113 HG3 PRO 10 2HG PRO 10 39.731 13.329 -9.460
114 HD2 PRO 10 1HD PRO 10 38.905 15.907 -9.448
115 HD3 PRO 10 2HD PRO 10 37.777 14.544 -9.582
116 H ASN 11 H ASN 11 39.409 16.816 -6.792
117 HA ASN 11 HA ASN 11 41.286 16.560 -4.565
118 HB2 ASN 11 1HB ASN 11 41.823 17.540 -6.934
119 HB3 ASN 11 2HB ASN 11 41.075 19.000 -6.296
120 HD21 ASN 11 2HD2 ASN 11 43.886 18.231 -7.049
121 HD22 ASN 11 1HD2 ASN 11 44.834 18.688 -5.679
122 H CYS 12 H CYS 12 38.748 16.580 -3.645
123 HA CYS 12 HA CYS 12 38.352 19.323 -2.643
124 HB2 CYS 12 1HB CYS 12 35.995 18.546 -2.154
125 HB3 CYS 12 2HB CYS 12 36.408 18.677 -3.861
126 HA PRO 13 HA PRO 13 39.821 17.122 1.059
127 HB2 PRO 13 1HB PRO 13 40.683 19.376 2.304
128 HB3 PRO 13 2HB PRO 13 41.643 18.521 1.090
129 HG2 PRO 13 1HG PRO 13 39.938 20.963 0.782
130 HG3 PRO 13 2HG PRO 13 41.550 20.633 0.121
131 HD2 PRO 13 1HD PRO 13 39.293 20.392 -1.355
132 HD3 PRO 13 2HD PRO 13 40.717 19.364 -1.613
133 H TYR 14 H TYR 14 37.353 19.354 0.457
134 HA TYR 14 HA TYR 14 36.473 19.412 3.251
135 HB2 TYR 14 1HB TYR 14 36.016 21.109 0.880
136 HB3 TYR 14 2HB TYR 14 34.611 20.874 1.914
137 HD1 TYR 14 HD2 TYR 14 35.014 21.277 4.470
138 HD2 TYR 14 HD1 TYR 14 37.526 22.792 1.388
139 HE1 TYR 14 HE2 TYR 14 35.855 23.000 6.011
140 HE2 TYR 14 HE1 TYR 14 38.374 24.519 2.921
141 HH TYR 14 HH TYR 14 36.915 25.400 5.687
142 H CYS 15 H CYS 15 36.003 17.659 0.424
143 HA CYS 15 HA CYS 15 33.285 17.105 0.373
144 HB2 CYS 15 1HB CYS 15 35.736 15.623 -0.460
145 HB3 CYS 15 2HB CYS 15 34.212 14.742 -0.417
146 H LYS 16 H LYS 16 35.713 16.088 2.620
147 HA LYS 16 HA LYS 16 34.680 13.773 3.688
148 HB2 LYS 16 1HB LYS 16 35.964 16.074 5.171
149 HB3 LYS 16 2HB LYS 16 35.747 14.454 5.820
150 HG2 LYS 16 1HG LYS 16 37.381 13.550 4.488
151 HG3 LYS 16 2HG LYS 16 37.216 14.799 3.252
152 HD2 LYS 16 1HD LYS 16 39.163 15.507 4.189
153 HD3 LYS 16 2HD LYS 16 38.040 16.333 5.271
154 HE2 LYS 16 1HE LYS 16 39.400 15.336 6.811
155 HE3 LYS 16 2HE LYS 16 38.200 14.060 6.603
156 HZ1 LYS 16 3HZ LYS 16 39.904 12.742 6.121
157 HZ2 LYS 16 1HZ LYS 16 40.989 14.035 6.002
158 HZ3 LYS 16 2HZ LYS 16 40.064 13.580 4.661
159 H ARG 17 H ARG 17 33.609 17.082 4.186
160 HA ARG 17 HA ARG 17 31.873 16.603 6.353
161 HB2 ARG 17 1HB ARG 17 31.907 18.732 4.217
162 HB3 ARG 17 2HB ARG 17 30.734 18.723 5.528
163 HG2 ARG 17 1HG ARG 17 33.627 18.555 6.199
164 HG3 ARG 17 2HG ARG 17 32.953 20.107 5.698
165 HD2 ARG 17 1HD ARG 17 31.339 20.042 7.476
166 HD3 ARG 17 2HD ARG 17 31.819 18.402 7.909
167 HE ARG 17 HE ARG 17 33.071 20.818 8.735
168 HH11 ARG 17 1HH1 ARG 17 33.709 17.499 7.901
169 HH12 ARG 17 2HH1 ARG 17 35.141 17.394 8.870
170 HH21 ARG 17 1HH2 ARG 17 34.955 20.693 10.015
171 HH22 ARG 17 2HH2 ARG 17 35.849 19.211 10.073
172 H ALA 18 H ALA 18 31.240 16.779 2.855
173 HA ALA 18 HA ALA 18 28.497 16.268 2.949
174 HB1 ALA 18 1HB ALA 18 28.941 15.326 0.576
175 HB2 ALA 18 2HB ALA 18 29.249 17.032 0.898
176 HB3 ALA 18 3HB ALA 18 30.591 15.889 0.848
177 H ARG 19 H ARG 19 31.160 13.971 2.344
178 HA ARG 19 HA ARG 19 29.561 11.666 2.279
179 HB2 ARG 19 1HB ARG 19 31.607 10.417 2.486
180 HB3 ARG 19 2HB ARG 19 31.908 11.812 1.458
181 HG2 ARG 19 1HG ARG 19 32.889 12.981 3.406
182 HG3 ARG 19 2HG ARG 19 32.678 11.507 4.352
183 HD2 ARG 19 1HD ARG 19 34.010 10.395 2.413
184 HD3 ARG 19 2HD ARG 19 34.524 12.045 2.062
185 HE ARG 19 HE ARG 19 34.878 11.374 4.812
186 HH11 ARG 19 1HH1 ARG 19 36.264 11.020 1.638
187 HH12 ARG 19 2HH1 ARG 19 37.882 10.818 2.224
188 HH21 ARG 19 1HH2 ARG 19 37.004 11.110 5.596
189 HH22 ARG 19 2HH2 ARG 19 38.301 10.868 4.475
190 H ASP 20 H ASP 20 30.944 13.469 4.928
191 HA ASP 20 HA ASP 20 30.669 11.496 6.935
192 HB2 ASP 20 1HB ASP 20 32.097 13.385 7.340
193 HB3 ASP 20 2HB ASP 20 30.767 14.512 7.087
194 H LEU 21 H LEU 21 28.576 14.218 5.998
195 HA LEU 21 HA LEU 21 26.544 13.726 7.871
196 HB2 LEU 21 1HB LEU 21 27.030 15.690 6.118
197 HB3 LEU 21 2HB LEU 21 25.787 14.816 5.225
198 HG LEU 21 HG LEU 21 24.688 15.073 7.740
199 HD11 LEU 21 1HD1 LEU 21 25.163 17.083 8.680
200 HD12 LEU 21 2HD1 LEU 21 25.602 17.827 7.143
201 HD13 LEU 21 3HD1 LEU 21 26.737 16.751 7.957
202 HD21 LEU 21 3HD2 LEU 21 23.113 15.570 6.242
203 HD22 LEU 21 1HD2 LEU 21 24.297 16.133 5.062
204 HD23 LEU 21 2HD2 LEU 21 23.714 17.227 6.317
205 H LEU 22 H LEU 22 26.726 12.826 4.426
206 HA LEU 22 HA LEU 22 24.340 11.399 4.290
207 HB2 LEU 22 1HB LEU 22 26.900 11.325 2.762
208 HB3 LEU 22 2HB LEU 22 25.687 10.080 2.467
209 HG LEU 22 HG LEU 22 24.275 11.512 1.403
210 HD11 LEU 22 1HD1 LEU 22 25.438 13.724 3.083
211 HD12 LEU 22 2HD1 LEU 22 23.837 12.997 3.220
212 HD13 LEU 22 3HD1 LEU 22 24.244 13.973 1.809
213 HD21 LEU 22 3HD2 LEU 22 25.686 11.976 -0.246
214 HD22 LEU 22 1HD2 LEU 22 27.048 12.033 0.873
215 HD23 LEU 22 2HD2 LEU 22 26.088 13.483 0.578
216 H ASP 23 H ASP 23 27.627 10.085 4.739
217 HA ASP 23 HA ASP 23 26.895 7.436 5.176
218 HB2 ASP 23 1HB ASP 23 29.221 8.241 4.794
219 HB3 ASP 23 2HB ASP 23 29.234 8.884 6.434
220 H LYS 24 H LYS 24 27.283 10.084 7.499
221 HA LYS 24 HA LYS 24 26.906 8.661 9.855
222 HB2 LYS 24 1HB LYS 24 27.619 10.999 9.815
223 HB3 LYS 24 2HB LYS 24 26.044 11.486 9.203
224 HG2 LYS 24 1HG LYS 24 26.077 9.975 11.743
225 HG3 LYS 24 2HG LYS 24 26.707 11.623 11.778
226 HD2 LYS 24 1HD LYS 24 24.551 12.275 10.562
227 HD3 LYS 24 2HD LYS 24 23.955 10.680 11.027
228 HE2 LYS 24 1HE LYS 24 24.882 11.514 13.398
229 HE3 LYS 24 2HE LYS 24 24.488 13.075 12.682
230 HZ1 LYS 24 3HZ LYS 24 22.748 11.211 13.831
231 HZ2 LYS 24 1HZ LYS 24 22.366 11.321 12.187
232 HZ3 LYS 24 2HZ LYS 24 22.370 12.712 13.149
233 H LYS 25 H LYS 25 24.520 10.039 7.642
234 HA LYS 25 HA LYS 25 22.262 9.393 9.254
235 HB2 LYS 25 1HB LYS 25 22.729 10.423 6.515
236 HB3 LYS 25 2HB LYS 25 21.197 9.601 6.784
237 HG2 LYS 25 1HG LYS 25 20.968 11.992 7.108
238 HG3 LYS 25 2HG LYS 25 20.695 11.127 8.623
239 HD2 LYS 25 1HD LYS 25 23.133 11.585 9.156
240 HD3 LYS 25 2HD LYS 25 23.122 12.699 7.786
241 HE2 LYS 25 1HE LYS 25 22.725 13.895 9.864
242 HE3 LYS 25 2HE LYS 25 21.296 13.954 8.833
243 HZ1 LYS 25 3HZ LYS 25 20.094 12.938 10.379
244 HZ2 LYS 25 1HZ LYS 25 21.385 13.153 11.451
245 HZ3 LYS 25 2HZ LYS 25 21.237 11.708 10.585
246 H GLY 26 H GLY 26 24.065 7.726 6.753
247 HA2 GLY 26 1HA GLY 26 24.125 5.335 6.683
248 HA3 GLY 26 2HA GLY 26 22.495 5.310 7.338
249 H VAL 27 H VAL 27 24.008 6.919 4.539
250 HA VAL 27 HA VAL 27 22.029 5.577 2.820
251 HB VAL 27 HB VAL 27 21.671 7.556 1.535
252 HG11 VAL 27 1HG1 VAL 27 20.658 7.247 3.959
253 HG12 VAL 27 2HG1 VAL 27 21.549 8.740 4.257
254 HG13 VAL 27 3HG1 VAL 27 20.323 8.682 2.991
255 HG21 VAL 27 3HG2 VAL 27 22.839 9.706 2.687
256 HG22 VAL 27 1HG2 VAL 27 24.086 8.485 2.935
257 HG23 VAL 27 2HG2 VAL 27 23.510 8.839 1.306
258 H LYS 28 H LYS 28 22.746 6.258 0.383
259 HA LYS 28 HA LYS 28 25.613 5.606 0.179
260 HB2 LYS 28 1HB LYS 28 23.261 4.285 -0.974
261 HB3 LYS 28 2HB LYS 28 24.521 4.637 -2.148
262 HG2 LYS 28 1HG LYS 28 25.142 3.261 0.440
263 HG3 LYS 28 2HG LYS 28 24.568 2.369 -0.972
264 HD2 LYS 28 1HD LYS 28 26.802 4.257 -1.416
265 HD3 LYS 28 2HD LYS 28 27.166 2.814 -0.468
266 HE2 LYS 28 1HE LYS 28 26.624 1.379 -2.223
267 HE3 LYS 28 2HE LYS 28 25.694 2.614 -3.071
268 HZ1 LYS 28 3HZ LYS 28 28.645 2.473 -2.795
269 HZ2 LYS 28 1HZ LYS 28 27.824 3.806 -3.437
270 HZ3 LYS 28 2HZ LYS 28 27.740 2.306 -4.215
271 H TYR 29 H TYR 29 26.623 7.360 -0.550
272 HA TYR 29 HA TYR 29 25.275 9.086 -2.500
273 HB2 TYR 29 1HB TYR 29 26.812 10.803 -1.885
274 HB3 TYR 29 2HB TYR 29 26.265 10.056 -0.388
275 HD1 TYR 29 HD1 TYR 29 29.095 10.412 -2.710
276 HD2 TYR 29 HD2 TYR 29 27.787 8.838 1.019
277 HE1 TYR 29 HE1 TYR 29 31.435 10.010 -2.066
278 HE2 TYR 29 HE2 TYR 29 30.123 8.432 1.674
279 HH TYR 29 HH TYR 29 32.808 9.220 -0.516
280 H THR 30 H THR 30 26.115 9.516 -4.501
281 HA THR 30 HA THR 30 28.357 7.803 -5.344
282 HB THR 30 HB THR 30 26.049 8.904 -6.956
283 HG1 THR 30 HG1 THR 30 25.410 6.784 -7.042
284 HG21 THR 30 3HG2 THR 30 28.687 8.065 -7.790
285 HG22 THR 30 1HG2 THR 30 27.383 8.772 -8.742
286 HG23 THR 30 2HG2 THR 30 27.441 7.029 -8.484
287 H ASP 31 H ASP 31 30.191 8.918 -5.466
288 HA ASP 31 HA ASP 31 30.235 11.755 -5.925
289 HB2 ASP 31 1HB ASP 31 31.922 11.048 -4.469
290 HB3 ASP 31 2HB ASP 31 32.332 9.655 -5.468
291 H ILE 32 H ILE 32 30.743 12.843 -7.754
292 HA ILE 32 HA ILE 32 31.318 11.233 -10.156
293 HB ILE 32 HB ILE 32 29.679 13.767 -10.018
294 HG12 ILE 32 1HG1 ILE 32 28.538 11.756 -9.105
295 HG13 ILE 32 2HG1 ILE 32 27.773 12.371 -10.566
296 HG21 ILE 32 1HG2 ILE 32 30.481 12.006 -12.323
297 HG22 ILE 32 2HG2 ILE 32 29.186 13.199 -12.413
298 HG23 ILE 32 3HG2 ILE 32 30.841 13.716 -12.092
299 HD11 ILE 32 3HD1 ILE 32 28.113 10.469 -11.659
300 HD12 ILE 32 1HD1 ILE 32 29.787 10.354 -11.117
301 HD13 ILE 32 2HD1 ILE 32 28.483 9.769 -10.083
302 H ASP 33 H ASP 33 33.221 11.658 -11.035
303 HA ASP 33 HA ASP 33 34.975 13.641 -10.154
304 HB2 ASP 33 1HB ASP 33 34.945 12.130 -12.775
305 HB3 ASP 33 2HB ASP 33 36.298 13.097 -12.195
306 H ALA 34 H ALA 34 35.599 15.626 -10.965
307 HA ALA 34 HA ALA 34 33.553 17.118 -12.313
308 HB1 ALA 34 1HB ALA 34 36.256 17.807 -11.211
309 HB2 ALA 34 2HB ALA 34 35.327 18.967 -12.162
310 HB3 ALA 34 3HB ALA 34 34.665 18.329 -10.657
311 H SER 35 H SER 35 33.943 15.375 -14.155
312 HA SER 35 HA SER 35 35.674 16.678 -16.150
313 HB2 SER 35 1HB SER 35 35.139 13.714 -16.162
314 HB3 SER 35 2HB SER 35 36.405 14.606 -17.005
315 HG SER 35 HG SER 35 37.615 14.406 -15.308
316 H THR 36 H THR 36 34.272 17.711 -17.432
317 HA THR 36 HA THR 36 31.622 17.215 -17.885
318 HB THR 36 HB THR 36 32.111 18.224 -20.253
319 HG1 THR 36 HG1 THR 36 34.130 18.792 -20.616
320 HG21 THR 36 3HG2 THR 36 31.597 19.296 -17.757
321 HG22 THR 36 1HG2 THR 36 31.516 20.158 -19.293
322 HG23 THR 36 2HG2 THR 36 32.989 20.218 -18.324
323 H SER 37 H SER 37 34.364 15.549 -19.240
324 HA SER 37 HA SER 37 33.359 14.361 -21.492
325 HB2 SER 37 1HB SER 37 35.654 14.075 -20.147
326 HB3 SER 37 2HB SER 37 34.865 12.583 -19.636
327 HG SER 37 HG SER 37 35.447 13.430 -22.277
328 H LEU 38 H LEU 38 32.584 13.654 -18.161
329 HA LEU 38 HA LEU 38 30.550 11.746 -19.097
330 HB2 LEU 38 1HB LEU 38 32.751 11.270 -17.312
331 HB3 LEU 38 2HB LEU 38 31.223 11.033 -16.468
332 HG LEU 38 HG LEU 38 32.205 8.962 -17.452
333 HD11 LEU 38 1HD1 LEU 38 30.117 8.223 -17.410
334 HD12 LEU 38 2HD1 LEU 38 29.791 8.975 -18.971
335 HD13 LEU 38 3HD1 LEU 38 29.541 9.888 -17.484
336 HD21 LEU 38 3HD2 LEU 38 32.400 8.625 -19.732
337 HD22 LEU 38 1HD2 LEU 38 32.952 10.290 -19.551
338 HD23 LEU 38 2HD2 LEU 38 31.318 9.961 -20.129
339 H ARG 39 H ARG 39 31.560 14.047 -16.622
340 HA ARG 39 HA ARG 39 29.256 14.045 -15.051
341 HB2 ARG 39 1HB ARG 39 31.559 15.258 -14.752
342 HB3 ARG 39 2HB ARG 39 30.752 16.585 -15.577
343 HG2 ARG 39 1HG ARG 39 28.899 16.114 -13.748
344 HG3 ARG 39 2HG ARG 39 30.287 15.465 -12.872
345 HD2 ARG 39 1HD ARG 39 30.416 17.638 -12.200
346 HD3 ARG 39 2HD ARG 39 31.384 17.740 -13.670
347 HE ARG 39 HE ARG 39 28.580 18.266 -14.063
348 HH11 ARG 39 1HH1 ARG 39 31.682 19.627 -13.262
349 HH12 ARG 39 2HH1 ARG 39 31.250 21.232 -13.752
350 HH21 ARG 39 1HH2 ARG 39 27.999 20.374 -14.712
351 HH22 ARG 39 2HH2 ARG 39 29.155 21.656 -14.576
352 H GLN 40 H GLN 40 29.943 15.613 -18.105
353 HA GLN 40 HA GLN 40 27.801 17.430 -18.143
354 HB2 GLN 40 1HB GLN 40 29.784 17.371 -19.713
355 HB3 GLN 40 2HB GLN 40 28.981 16.053 -20.555
356 HG2 GLN 40 1HG GLN 40 27.240 17.427 -21.291
357 HG3 GLN 40 2HG GLN 40 27.631 18.692 -20.127
358 HE21 GLN 40 2HE2 GLN 40 28.747 20.357 -20.848
359 HE22 GLN 40 1HE2 GLN 40 29.689 20.398 -22.296
360 H GLU 41 H GLU 41 28.051 14.082 -19.279
361 HA GLU 41 HA GLU 41 25.413 13.967 -20.331
362 HB2 GLU 41 1HB GLU 41 26.945 11.567 -19.367
363 HB3 GLU 41 2HB GLU 41 25.807 11.680 -20.703
364 HG2 GLU 41 1HG GLU 41 27.520 13.242 -21.784
365 HG3 GLU 41 2HG GLU 41 28.645 12.625 -20.576
366 H MET 42 H MET 42 26.858 12.936 -17.260
367 HA MET 42 HA MET 42 24.531 11.787 -16.169
368 HB2 MET 42 1HB MET 42 27.178 12.099 -15.377
369 HB3 MET 42 2HB MET 42 26.267 13.011 -14.180
370 HG2 MET 42 1HG MET 42 26.054 11.053 -13.141
371 HG3 MET 42 2HG MET 42 24.809 10.724 -14.344
372 HE1 MET 42 3HE MET 42 28.418 10.895 -13.704
373 HE2 MET 42 1HE MET 42 28.907 9.200 -13.713
374 HE3 MET 42 2HE MET 42 29.068 10.171 -15.176
375 H VAL 43 H VAL 43 25.968 15.009 -15.660
376 HA VAL 43 HA VAL 43 23.925 15.999 -14.003
377 HB VAL 43 HB VAL 43 26.229 17.007 -14.376
378 HG11 VAL 43 1HG1 VAL 43 26.573 18.530 -16.158
379 HG12 VAL 43 2HG1 VAL 43 25.957 17.045 -16.885
380 HG13 VAL 43 3HG1 VAL 43 24.886 18.429 -16.662
381 HG21 VAL 43 3HG2 VAL 43 25.520 19.153 -13.707
382 HG22 VAL 43 1HG2 VAL 43 24.002 19.014 -14.593
383 HG23 VAL 43 2HG2 VAL 43 24.266 18.050 -13.141
384 H GLN 44 H GLN 44 24.250 15.837 -17.486
385 HA GLN 44 HA GLN 44 22.184 17.644 -18.150
386 HB2 GLN 44 1HB GLN 44 23.513 17.199 -19.970
387 HB3 GLN 44 2HB GLN 44 23.670 15.492 -19.574
388 HG2 GLN 44 1HG GLN 44 21.748 14.918 -20.650
389 HG3 GLN 44 2HG GLN 44 21.000 16.493 -20.391
390 HE21 GLN 44 2HE2 GLN 44 20.500 15.910 -22.738
391 HE22 GLN 44 1HE2 GLN 44 21.600 16.527 -23.918
392 H ARG 45 H ARG 45 22.204 14.090 -17.918
393 HA ARG 45 HA ARG 45 19.359 13.922 -18.304
394 HB2 ARG 45 1HB ARG 45 21.186 12.172 -18.904
395 HB3 ARG 45 2HB ARG 45 21.052 11.695 -17.217
396 HG2 ARG 45 1HG ARG 45 18.746 11.125 -17.491
397 HG3 ARG 45 2HG ARG 45 18.728 11.793 -19.125
398 HD2 ARG 45 1HD ARG 45 18.878 9.315 -19.059
399 HD3 ARG 45 2HD ARG 45 20.221 10.085 -19.903
400 HE ARG 45 HE ARG 45 20.740 9.546 -17.124
401 HH11 ARG 45 1HH1 ARG 45 20.838 8.277 -20.364
402 HH12 ARG 45 2HH1 ARG 45 22.066 7.107 -20.009
403 HH21 ARG 45 1HH2 ARG 45 22.356 8.010 -16.643
404 HH22 ARG 45 2HH2 ARG 45 22.928 6.956 -17.891
405 H ALA 46 H ALA 46 21.329 14.666 -15.694
406 HA ALA 46 HA ALA 46 19.665 13.482 -13.645
407 HB1 ALA 46 1HB ALA 46 21.988 15.396 -13.462
408 HB2 ALA 46 2HB ALA 46 21.168 14.665 -12.081
409 HB3 ALA 46 3HB ALA 46 22.036 13.648 -13.230
410 H ASN 47 H ASN 47 20.277 16.703 -14.979
411 HA ASN 47 HA ASN 47 17.783 17.611 -13.714
412 HB2 ASN 47 1HB ASN 47 18.858 19.846 -13.372
413 HB3 ASN 47 2HB ASN 47 19.547 18.564 -12.380
414 HD21 ASN 47 2HD2 ASN 47 20.029 20.566 -15.208
415 HD22 ASN 47 1HD2 ASN 47 21.744 20.375 -15.286
416 H GLY 48 H GLY 48 20.133 17.974 -16.311
417 HA2 GLY 48 1HA GLY 48 18.606 18.136 -18.469
418 HA3 GLY 48 2HA GLY 48 18.335 19.735 -17.791
419 H ARG 49 H ARG 49 20.670 20.639 -16.982
420 HA ARG 49 HA ARG 49 22.899 20.069 -18.615
421 HB2 ARG 49 1HB ARG 49 21.561 21.005 -20.409
422 HB3 ARG 49 2HB ARG 49 21.219 22.438 -19.449
423 HG2 ARG 49 1HG ARG 49 23.710 22.870 -19.447
424 HG3 ARG 49 2HG ARG 49 23.829 21.609 -20.676
425 HD2 ARG 49 1HD ARG 49 22.171 24.122 -20.871
426 HD3 ARG 49 2HD ARG 49 23.713 23.839 -21.678
427 HE ARG 49 HE ARG 49 21.936 21.788 -22.381
428 HH11 ARG 49 1HH1 ARG 49 22.401 25.203 -22.869
429 HH12 ARG 49 2HH1 ARG 49 21.618 25.221 -24.414
430 HH21 ARG 49 1HH2 ARG 49 20.903 21.799 -24.414
431 HH22 ARG 49 2HH2 ARG 49 20.765 23.284 -25.292
432 H ASN 50 H ASN 50 24.597 20.725 -17.479
433 HA ASN 50 HA ASN 50 24.453 23.242 -15.990
434 HB2 ASN 50 1HB ASN 50 23.991 21.020 -14.611
435 HB3 ASN 50 2HB ASN 50 25.750 20.922 -14.632
436 HD21 ASN 50 2HD2 ASN 50 25.026 21.094 -12.244
437 HD22 ASN 50 1HD2 ASN 50 25.074 22.688 -11.580
438 H THR 51 H THR 51 26.714 23.724 -15.022
439 HA THR 51 HA THR 51 28.952 22.637 -16.478
440 HB THR 51 HB THR 51 28.448 25.581 -16.858
441 HG1 THR 51 HG1 THR 51 26.759 24.536 -17.928
442 HG21 THR 51 3HG2 THR 51 30.689 24.064 -17.230
443 HG22 THR 51 1HG2 THR 51 30.346 25.578 -18.066
444 HG23 THR 51 2HG2 THR 51 29.965 24.038 -18.837
445 H PHE 52 H PHE 52 28.105 22.998 -13.703
446 HA PHE 52 HA PHE 52 30.561 24.181 -12.715
447 HB2 PHE 52 1HB PHE 52 27.836 25.290 -12.099
448 HB3 PHE 52 2HB PHE 52 29.155 25.448 -10.944
449 HD1 PHE 52 HD1 PHE 52 27.866 26.482 -14.202
450 HD2 PHE 52 HD2 PHE 52 31.044 26.882 -11.398
451 HE1 PHE 52 HE1 PHE 52 28.670 28.474 -15.402
452 HE2 PHE 52 HE2 PHE 52 31.851 28.876 -12.593
453 HZ PHE 52 HZ PHE 52 30.664 29.675 -14.597
454 HA PRO 53 HA PRO 53 30.290 20.891 -9.819
455 HB2 PRO 53 1HB PRO 53 31.721 21.921 -7.755
456 HB3 PRO 53 2HB PRO 53 32.466 21.375 -9.262
457 HG2 PRO 53 1HG PRO 53 31.764 24.153 -8.395
458 HG3 PRO 53 2HG PRO 53 33.230 23.571 -9.205
459 HD2 PRO 53 1HD PRO 53 31.227 24.817 -10.535
460 HD3 PRO 53 2HD PRO 53 32.227 23.553 -11.280
461 H GLN 54 H GLN 54 29.032 20.194 -8.149
462 HA GLN 54 HA GLN 54 28.089 21.745 -6.019
463 HB2 GLN 54 1HB GLN 54 25.703 21.974 -6.685
464 HB3 GLN 54 2HB GLN 54 26.793 22.978 -7.632
465 HG2 GLN 54 1HG GLN 54 25.681 22.161 -9.384
466 HG3 GLN 54 2HG GLN 54 26.692 20.735 -9.152
467 HE21 GLN 54 2HE2 GLN 54 25.627 18.902 -9.140
468 HE22 GLN 54 1HE2 GLN 54 23.993 18.669 -8.631
469 H ILE 55 H ILE 55 25.960 20.649 -5.088
470 HA ILE 55 HA ILE 55 26.458 17.753 -5.209
471 HB ILE 55 HB ILE 55 25.118 19.347 -3.021
472 HG12 ILE 55 1HG1 ILE 55 27.310 18.389 -1.844
473 HG13 ILE 55 2HG1 ILE 55 27.926 18.464 -3.491
474 HG21 ILE 55 1HG2 ILE 55 25.976 16.859 -2.071
475 HG22 ILE 55 2HG2 ILE 55 24.317 17.394 -2.334
476 HG23 ILE 55 3HG2 ILE 55 25.179 16.536 -3.611
477 HD11 ILE 55 3HD1 ILE 55 27.587 20.801 -3.602
478 HD12 ILE 55 1HD1 ILE 55 26.653 20.804 -2.106
479 HD13 ILE 55 2HD1 ILE 55 28.384 20.469 -2.065
480 H PHE 56 H PHE 56 24.908 16.390 -5.858
481 HA PHE 56 HA PHE 56 22.294 17.534 -6.547
482 HB2 PHE 56 1HB PHE 56 23.948 16.169 -8.155
483 HB3 PHE 56 2HB PHE 56 23.055 14.814 -7.472
484 HD1 PHE 56 HD2 PHE 56 20.544 14.795 -7.687
485 HD2 PHE 56 HD1 PHE 56 23.026 17.501 -9.840
486 HE1 PHE 56 HE2 PHE 56 18.714 15.199 -9.281
487 HE2 PHE 56 HE1 PHE 56 21.200 17.910 -11.438
488 HZ PHE 56 HZ PHE 56 19.041 16.757 -11.160
489 H ILE 57 H ILE 57 20.437 16.794 -5.675
490 HA ILE 57 HA ILE 57 20.624 14.513 -3.817
491 HB ILE 57 HB ILE 57 18.724 16.802 -3.395
492 HG12 ILE 57 1HG1 ILE 57 20.979 17.757 -3.426
493 HG13 ILE 57 2HG1 ILE 57 20.334 17.746 -1.788
494 HG21 ILE 57 1HG2 ILE 57 19.059 14.306 -2.194
495 HG22 ILE 57 2HG2 ILE 57 19.737 15.466 -1.053
496 HG23 ILE 57 3HG2 ILE 57 18.074 15.647 -1.610
497 HD11 ILE 57 3HD1 ILE 57 21.629 15.414 -1.752
498 HD12 ILE 57 1HD1 ILE 57 22.607 16.269 -2.945
499 HD13 ILE 57 2HD1 ILE 57 22.390 16.948 -1.332
500 H GLY 58 H GLY 58 19.678 12.917 -4.973
501 HA2 GLY 58 1HA GLY 58 18.064 11.743 -6.111
502 HA3 GLY 58 2HA GLY 58 16.929 12.700 -5.171
503 H ASP 59 H ASP 59 15.750 14.251 -6.161
504 HA ASP 59 HA ASP 59 16.286 14.684 -9.027
505 HB2 ASP 59 1HB ASP 59 13.594 14.969 -7.696
506 HB3 ASP 59 2HB ASP 59 13.948 14.861 -9.418
507 H TYR 60 H TYR 60 17.509 16.231 -6.986
508 HA TYR 60 HA TYR 60 16.535 18.858 -7.764
509 HB2 TYR 60 1HB TYR 60 15.322 18.812 -5.788
510 HB3 TYR 60 2HB TYR 60 16.515 17.821 -4.956
511 HD1 TYR 60 HD1 TYR 60 15.895 21.244 -6.256
512 HD2 TYR 60 HD2 TYR 60 18.158 18.810 -3.600
513 HE1 TYR 60 HE1 TYR 60 16.838 23.264 -5.218
514 HE2 TYR 60 HE2 TYR 60 19.106 20.824 -2.553
515 HH TYR 60 HH TYR 60 19.099 23.762 -3.881
516 H HIS 61 H HIS 61 18.100 20.477 -7.660
517 HA HIS 61 HA HIS 61 20.837 19.496 -7.198
518 HB2 HIS 61 1HB HIS 61 21.507 21.387 -8.728
519 HB3 HIS 61 2HB HIS 61 20.568 20.107 -9.492
520 HD1 HIS 61 HD1 HIS 61 18.003 20.681 -9.955
521 HD2 HIS 61 HD2 HIS 61 20.416 23.894 -8.902
522 HE1 HIS 61 HE1 HIS 61 16.711 22.736 -10.612
523 H VAL 62 H VAL 62 21.807 20.242 -5.443
524 HA VAL 62 HA VAL 62 20.729 22.383 -3.895
525 HB VAL 62 HB VAL 62 23.365 20.931 -3.626
526 HG11 VAL 62 1HG1 VAL 62 22.588 21.917 -1.145
527 HG12 VAL 62 2HG1 VAL 62 23.903 22.516 -2.158
528 HG13 VAL 62 3HG1 VAL 62 22.301 23.248 -2.266
529 HG21 VAL 62 3HG2 VAL 62 21.227 20.473 -1.671
530 HG22 VAL 62 1HG2 VAL 62 20.871 19.899 -3.299
531 HG23 VAL 62 2HG2 VAL 62 22.311 19.326 -2.457
532 H GLY 63 H GLY 63 24.103 22.086 -4.989
533 HA2 GLY 63 1HA GLY 63 24.844 23.844 -6.640
534 HA3 GLY 63 2HA GLY 63 24.046 24.983 -5.567
535 H GLY 64 H GLY 64 24.840 24.142 -3.091
536 HA2 GLY 64 1HA GLY 64 27.785 24.159 -3.208
537 HA3 GLY 64 2HA GLY 64 26.934 25.359 -2.246
538 H CYS 65 H CYS 65 28.848 23.165 -1.534
539 HA CYS 65 HA CYS 65 27.465 21.133 -0.149
540 HB2 CYS 65 1HB CYS 65 29.633 20.799 1.046
541 HB3 CYS 65 2HB CYS 65 29.790 20.833 -0.706
542 HG CYS 65 HG CYS 65 30.842 23.128 1.568
543 H ASP 66 H ASP 66 28.552 24.343 0.786
544 HA ASP 66 HA ASP 66 28.044 24.068 3.562
545 HB2 ASP 66 1HB ASP 66 29.511 25.821 2.686
546 HB3 ASP 66 2HB ASP 66 28.150 26.558 1.846
547 H ASP 67 H ASP 67 26.035 24.732 0.821
548 HA ASP 67 HA ASP 67 23.868 25.936 2.210
549 HB2 ASP 67 1HB ASP 67 24.372 24.893 -0.501
550 HB3 ASP 67 2HB ASP 67 22.693 24.814 0.023
551 H LEU 68 H LEU 68 24.727 22.618 1.424
552 HA LEU 68 HA LEU 68 22.253 21.465 2.216
553 HB2 LEU 68 1HB LEU 68 23.188 19.462 1.697
554 HB3 LEU 68 2HB LEU 68 24.269 20.527 0.801
555 HG LEU 68 HG LEU 68 25.680 20.396 3.031
556 HD11 LEU 68 1HD1 LEU 68 23.798 18.096 3.180
557 HD12 LEU 68 2HD1 LEU 68 24.467 19.095 4.470
558 HD13 LEU 68 3HD1 LEU 68 25.468 17.866 3.697
559 HD21 LEU 68 3HD2 LEU 68 26.810 19.714 1.169
560 HD22 LEU 68 1HD2 LEU 68 25.539 18.597 0.669
561 HD23 LEU 68 2HD2 LEU 68 26.627 18.162 1.988
562 H TYR 69 H TYR 69 25.258 22.203 3.879
563 HA TYR 69 HA TYR 69 24.632 20.785 6.268
564 HB2 TYR 69 1HB TYR 69 26.529 23.117 5.966
565 HB3 TYR 69 2HB TYR 69 26.548 21.888 7.225
566 HD1 TYR 69 HD1 TYR 69 26.171 19.436 5.585
567 HD2 TYR 69 HD2 TYR 69 28.613 22.859 4.933
568 HE1 TYR 69 HE1 TYR 69 27.711 18.074 4.235
569 HE2 TYR 69 HE2 TYR 69 30.159 21.507 3.581
570 HH TYR 69 HH TYR 69 29.435 18.625 2.291
571 H ALA 70 H ALA 70 24.594 24.256 5.460
572 HA ALA 70 HA ALA 70 23.516 25.152 7.884
573 HB1 ALA 70 1HB ALA 70 24.583 26.532 6.044
574 HB2 ALA 70 2HB ALA 70 23.018 26.474 5.231
575 HB3 ALA 70 3HB ALA 70 23.158 27.224 6.821
576 H LEU 71 H LEU 71 21.911 24.265 4.842
577 HA LEU 71 HA LEU 71 19.294 24.894 5.609
578 HB2 LEU 71 1HB LEU 71 20.452 22.970 3.625
579 HB3 LEU 71 2HB LEU 71 18.711 23.062 3.888
580 HG LEU 71 HG LEU 71 20.461 25.343 2.967
581 HD11 LEU 71 1HD1 LEU 71 18.730 23.381 1.509
582 HD12 LEU 71 2HD1 LEU 71 20.376 23.899 1.147
583 HD13 LEU 71 3HD1 LEU 71 19.024 24.996 0.862
584 HD21 LEU 71 3HD2 LEU 71 17.903 25.330 4.163
585 HD22 LEU 71 1HD2 LEU 71 17.676 25.675 2.448
586 HD23 LEU 71 2HD2 LEU 71 18.753 26.684 3.415
587 H GLU 72 H GLU 72 21.042 21.799 5.784
588 HA GLU 72 HA GLU 72 19.002 20.247 6.860
589 HB2 GLU 72 1HB GLU 72 21.074 19.272 6.041
590 HB3 GLU 72 2HB GLU 72 21.983 20.060 7.323
591 HG2 GLU 72 1HG GLU 72 20.455 18.739 8.919
592 HG3 GLU 72 2HG GLU 72 20.086 17.756 7.503
593 H ASN 73 H ASN 73 21.375 22.306 8.486
594 HA ASN 73 HA ASN 73 20.444 21.623 11.116
595 HB2 ASN 73 1HB ASN 73 22.798 22.386 10.511
596 HB3 ASN 73 2HB ASN 73 22.134 24.011 10.376
597 HD21 ASN 73 2HD2 ASN 73 22.617 21.310 12.567
598 HD22 ASN 73 1HD2 ASN 73 22.596 22.245 14.020
599 H LYS 74 H LYS 74 19.533 23.863 8.687
600 HA LYS 74 HA LYS 74 18.268 25.750 10.457
601 HB2 LYS 74 1HB LYS 74 18.825 25.540 7.615
602 HB3 LYS 74 2HB LYS 74 17.185 26.101 7.910
603 HG2 LYS 74 1HG LYS 74 18.813 27.934 7.665
604 HG3 LYS 74 2HG LYS 74 17.994 27.940 9.229
605 HD2 LYS 74 1HD LYS 74 19.945 27.814 10.289
606 HD3 LYS 74 2HD LYS 74 20.366 26.347 9.403
607 HE2 LYS 74 1HE LYS 74 21.253 27.671 7.577
608 HE3 LYS 74 2HE LYS 74 20.749 29.158 8.378
609 HZ1 LYS 74 3HZ LYS 74 23.129 28.644 8.665
610 HZ2 LYS 74 1HZ LYS 74 22.710 27.235 9.504
611 HZ3 LYS 74 2HZ LYS 74 22.300 28.749 10.136
612 H GLY 75 H GLY 75 17.405 22.790 8.912
613 HA2 GLY 75 1HA GLY 75 15.337 21.901 10.191
614 HA3 GLY 75 2HA GLY 75 14.549 23.272 9.424
615 H LYS 76 H LYS 76 16.705 22.467 7.194
616 HA LYS 76 HA LYS 76 14.771 21.084 5.581
617 HB2 LYS 76 1HB LYS 76 17.657 21.767 4.989
618 HB3 LYS 76 2HB LYS 76 16.469 21.217 3.814
619 HG2 LYS 76 1HG LYS 76 16.395 23.799 5.361
620 HG3 LYS 76 2HG LYS 76 16.765 23.605 3.646
621 HD2 LYS 76 1HD LYS 76 14.406 22.423 3.625
622 HD3 LYS 76 2HD LYS 76 14.153 23.408 5.067
623 HE2 LYS 76 1HE LYS 76 15.152 24.563 2.477
624 HE3 LYS 76 2HE LYS 76 13.434 24.410 2.841
625 HZ1 LYS 76 3HZ LYS 76 15.233 26.404 3.677
626 HZ2 LYS 76 1HZ LYS 76 14.648 25.598 5.045
627 HZ3 LYS 76 2HZ LYS 76 13.567 26.304 3.952
628 H LEU 77 H LEU 77 16.795 20.024 7.925
629 HA LEU 77 HA LEU 77 18.167 17.844 6.956
630 HB2 LEU 77 1HB LEU 77 18.510 18.377 9.199
631 HB3 LEU 77 2HB LEU 77 16.785 18.364 9.561
632 HG LEU 77 HG LEU 77 17.689 15.751 8.722
633 HD11 LEU 77 1HD1 LEU 77 19.118 15.239 10.604
634 HD12 LEU 77 2HD1 LEU 77 19.027 16.908 11.163
635 HD13 LEU 77 3HD1 LEU 77 19.835 16.531 9.641
636 HD21 LEU 77 3HD2 LEU 77 16.233 16.995 11.008
637 HD22 LEU 77 1HD2 LEU 77 16.813 15.336 11.151
638 HD23 LEU 77 2HD2 LEU 77 15.693 15.770 9.860
639 H ASP 78 H ASP 78 14.745 18.081 7.799
640 HA ASP 78 HA ASP 78 14.028 15.406 7.605
641 HB2 ASP 78 1HB ASP 78 12.355 17.768 6.726
642 HB3 ASP 78 2HB ASP 78 11.761 16.181 7.209
643 H SER 79 H SER 79 14.055 17.879 5.046
644 HA SER 79 HA SER 79 13.253 16.106 2.983
645 HB2 SER 79 1HB SER 79 12.957 18.523 2.767
646 HB3 SER 79 2HB SER 79 14.704 18.760 2.817
647 HG SER 79 HG SER 79 14.887 17.752 0.850
648 H LEU 80 H LEU 80 16.421 17.377 3.966
649 HA LEU 80 HA LEU 80 17.988 16.217 1.995
650 HB2 LEU 80 1HB LEU 80 18.418 17.227 4.723
651 HB3 LEU 80 2HB LEU 80 19.626 16.079 4.151
652 HG LEU 80 HG LEU 80 20.222 18.480 3.819
653 HD11 LEU 80 1HD1 LEU 80 21.487 17.857 2.092
654 HD12 LEU 80 2HD1 LEU 80 20.087 17.549 1.065
655 HD13 LEU 80 3HD1 LEU 80 20.646 16.309 2.187
656 HD21 LEU 80 3HD2 LEU 80 17.655 18.797 3.007
657 HD22 LEU 80 1HD2 LEU 80 18.490 18.695 1.457
658 HD23 LEU 80 2HD2 LEU 80 18.965 19.918 2.635
659 H LEU 81 H LEU 81 17.169 14.889 5.198
660 HA LEU 81 HA LEU 81 18.476 12.422 4.831
661 HB2 LEU 81 1HB LEU 81 16.630 13.611 6.755
662 HB3 LEU 81 2HB LEU 81 16.421 11.871 6.568
663 HG LEU 81 HG LEU 81 18.993 11.788 6.952
664 HD11 LEU 81 1HD1 LEU 81 18.446 14.579 7.298
665 HD12 LEU 81 2HD1 LEU 81 19.991 13.730 7.329
666 HD13 LEU 81 3HD1 LEU 81 19.043 13.890 8.808
667 HD21 LEU 81 3HD2 LEU 81 17.172 12.480 9.251
668 HD22 LEU 81 1HD2 LEU 81 18.637 11.499 9.304
669 HD23 LEU 81 2HD2 LEU 81 17.211 10.909 8.450
670 H GLN 82 H GLN 82 15.085 13.375 4.373
671 HA GLN 82 HA GLN 82 14.111 10.855 3.626
672 HB2 GLN 82 1HB GLN 82 12.577 12.604 4.227
673 HB3 GLN 82 2HB GLN 82 13.160 13.633 2.926
674 HG2 GLN 82 1HG GLN 82 12.167 12.266 1.273
675 HG3 GLN 82 2HG GLN 82 11.836 10.983 2.436
676 HE21 GLN 82 2HE2 GLN 82 10.861 14.083 1.227
677 HE22 GLN 82 1HE2 GLN 82 9.325 14.139 2.015
678 H ASP 83 H ASP 83 15.964 13.200 1.894
679 HA ASP 83 HA ASP 83 15.366 12.051 -0.703
680 HB2 ASP 83 1HB ASP 83 17.251 14.252 0.157
681 HB3 ASP 83 2HB ASP 83 17.053 13.727 -1.513
682 H VAL 84 H VAL 84 18.394 12.638 1.096
683 HA VAL 84 HA VAL 84 20.058 11.031 -0.410
684 HB VAL 84 HB VAL 84 21.506 10.862 1.575
685 HG11 VAL 84 1HG1 VAL 84 20.373 13.376 0.564
686 HG12 VAL 84 2HG1 VAL 84 21.247 13.511 2.091
687 HG13 VAL 84 3HG1 VAL 84 22.051 12.847 0.668
688 HG21 VAL 84 3HG2 VAL 84 18.989 11.524 2.938
689 HG22 VAL 84 1HG2 VAL 84 20.393 10.627 3.515
690 HG23 VAL 84 2HG2 VAL 84 20.407 12.390 3.528
691 H HIS 85 H HIS 85 17.764 10.124 2.068
692 HA HIS 85 HA HIS 85 18.616 7.586 2.740
693 HB2 HIS 85 1HB HIS 85 16.002 8.973 2.670
694 HB3 HIS 85 2HB HIS 85 15.936 7.214 2.715
695 HD1 HIS 85 HD1 HIS 85 14.849 7.613 5.129
696 HD2 HIS 85 HD2 HIS 85 18.859 8.628 4.745
697 HE1 HIS 85 HE1 HIS 85 15.725 7.791 7.479
Start of MODEL 18
1 H1 GLY -3 H GLY -3 8.812 11.742 9.351
2 HA2 GLY -3 1HA GLY -3 6.955 13.122 7.593
3 HA3 GLY -3 2HA GLY -3 8.567 12.874 6.938
4 HA PRO -2 HA PRO -2 5.735 9.116 6.310
5 HB2 PRO -2 1HB PRO -2 5.364 9.377 3.634
6 HB3 PRO -2 2HB PRO -2 4.281 10.101 4.829
7 HG2 PRO -2 1HG PRO -2 6.509 11.366 3.281
8 HG3 PRO -2 2HG PRO -2 4.891 11.999 3.632
9 HD2 PRO -2 1HD PRO -2 7.088 12.763 5.019
10 HD3 PRO -2 2HD PRO -2 5.477 12.666 5.760
11 H GLY -1 H GLY -1 6.127 7.503 4.287
12 HA2 GLY -1 1HA GLY -1 8.905 6.788 4.494
13 HA3 GLY -1 2HA GLY -1 7.662 5.905 3.621
14 H SER 0 H SER 0 10.395 6.536 2.809
15 HA SER 0 HA SER 0 9.949 7.164 0.122
16 HB2 SER 0 1HB SER 0 11.272 9.405 0.187
17 HB3 SER 0 2HB SER 0 9.551 9.423 0.571
18 HG SER 0 HG SER 0 10.555 9.021 2.850
19 H MET 1 H MET 1 11.870 7.103 -1.143
20 HA MET 1 HA MET 1 14.400 6.691 0.224
21 HB2 MET 1 1HB MET 1 12.818 4.520 -1.022
22 HB3 MET 1 2HB MET 1 14.534 4.542 -1.404
23 HG2 MET 1 1HG MET 1 15.164 4.149 0.778
24 HG3 MET 1 2HG MET 1 13.646 4.756 1.434
25 HE1 MET 1 3HE MET 1 11.619 3.844 1.396
26 HE2 MET 1 1HE MET 1 11.086 2.297 0.739
27 HE3 MET 1 2HE MET 1 11.746 2.380 2.372
28 H LYS 2 H LYS 2 15.802 7.895 -0.855
29 HA LYS 2 HA LYS 2 15.690 7.907 -3.794
30 HB2 LYS 2 1HB LYS 2 15.724 10.224 -1.914
31 HB3 LYS 2 2HB LYS 2 16.606 10.369 -3.428
32 HG2 LYS 2 1HG LYS 2 14.593 11.204 -4.071
33 HG3 LYS 2 2HG LYS 2 14.334 9.497 -4.439
34 HD2 LYS 2 1HD LYS 2 13.178 9.187 -2.330
35 HD3 LYS 2 2HD LYS 2 13.508 10.861 -1.876
36 HE2 LYS 2 1HE LYS 2 12.197 11.601 -3.845
37 HE3 LYS 2 2HE LYS 2 11.802 9.915 -4.178
38 HZ1 LYS 2 3HZ LYS 2 10.132 10.061 -2.754
39 HZ2 LYS 2 1HZ LYS 2 10.506 11.682 -2.444
40 HZ3 LYS 2 2HZ LYS 2 11.193 10.460 -1.498
41 H GLU 3 H GLU 3 17.821 9.104 -4.595
42 HA GLU 3 HA GLU 3 20.065 7.925 -3.091
43 HB2 GLU 3 1HB GLU 3 21.158 7.388 -5.138
44 HB3 GLU 3 2HB GLU 3 19.506 6.802 -5.274
45 HG2 GLU 3 1HG GLU 3 19.087 9.116 -6.406
46 HG3 GLU 3 2HG GLU 3 20.830 9.077 -6.666
47 H ILE 4 H ILE 4 21.994 9.080 -2.981
48 HA ILE 4 HA ILE 4 21.760 11.926 -3.706
49 HB ILE 4 HB ILE 4 21.906 11.384 -1.255
50 HG12 ILE 4 1HG1 ILE 4 22.802 13.513 -2.551
51 HG13 ILE 4 2HG1 ILE 4 23.073 13.320 -0.822
52 HG21 ILE 4 1HG2 ILE 4 24.688 10.520 -2.031
53 HG22 ILE 4 2HG2 ILE 4 24.145 10.798 -0.377
54 HG23 ILE 4 3HG2 ILE 4 23.419 9.510 -1.338
55 HD11 ILE 4 3HD1 ILE 4 25.019 14.030 -2.387
56 HD12 ILE 4 1HD1 ILE 4 25.307 12.871 -1.089
57 HD13 ILE 4 2HD1 ILE 4 25.106 12.306 -2.747
58 H ILE 5 H ILE 5 23.349 12.897 -4.862
59 HA ILE 5 HA ILE 5 25.753 11.327 -5.495
60 HB ILE 5 HB ILE 5 24.370 12.980 -7.590
61 HG12 ILE 5 1HG1 ILE 5 23.988 10.031 -7.029
62 HG13 ILE 5 2HG1 ILE 5 22.763 11.286 -6.879
63 HG21 ILE 5 1HG2 ILE 5 26.710 12.439 -7.968
64 HG22 ILE 5 2HG2 ILE 5 26.367 10.726 -7.731
65 HG23 ILE 5 3HG2 ILE 5 25.683 11.579 -9.114
66 HD11 ILE 5 3HD1 ILE 5 23.682 11.523 -9.483
67 HD12 ILE 5 1HD1 ILE 5 23.595 9.786 -9.194
68 HD13 ILE 5 2HD1 ILE 5 22.167 10.793 -8.953
69 H LEU 6 H LEU 6 27.603 12.543 -6.052
70 HA LEU 6 HA LEU 6 27.425 15.420 -5.452
71 HB2 LEU 6 1HB LEU 6 29.969 14.747 -4.709
72 HB3 LEU 6 2HB LEU 6 28.608 14.987 -3.616
73 HG LEU 6 HG LEU 6 29.110 12.270 -4.749
74 HD11 LEU 6 1HD1 LEU 6 31.201 13.507 -3.627
75 HD12 LEU 6 2HD1 LEU 6 30.880 11.785 -3.429
76 HD13 LEU 6 3HD1 LEU 6 30.396 12.921 -2.171
77 HD21 LEU 6 3HD2 LEU 6 27.534 11.702 -3.293
78 HD22 LEU 6 1HD2 LEU 6 27.316 13.412 -2.920
79 HD23 LEU 6 2HD2 LEU 6 28.433 12.437 -1.965
80 H TYR 7 H TYR 7 27.908 16.525 -7.223
81 HA TYR 7 HA TYR 7 29.719 15.366 -9.204
82 HB2 TYR 7 1HB TYR 7 27.880 17.763 -9.334
83 HB3 TYR 7 2HB TYR 7 28.919 17.236 -10.654
84 HD1 TYR 7 HD2 TYR 7 28.523 14.962 -11.674
85 HD2 TYR 7 HD1 TYR 7 25.775 16.761 -8.969
86 HE1 TYR 7 HE2 TYR 7 26.762 13.433 -12.455
87 HE2 TYR 7 HE1 TYR 7 24.007 15.236 -9.741
88 HH TYR 7 HH TYR 7 24.679 12.537 -11.800
89 H THR 8 H THR 8 31.798 15.774 -8.811
90 HA THR 8 HA THR 8 32.888 18.341 -9.021
91 HB THR 8 HB THR 8 33.829 17.969 -6.441
92 HG1 THR 8 HG1 THR 8 31.922 16.504 -6.248
93 HG21 THR 8 3HG2 THR 8 32.269 19.891 -7.932
94 HG22 THR 8 1HG2 THR 8 33.448 20.159 -6.648
95 HG23 THR 8 2HG2 THR 8 31.762 19.836 -6.244
96 H ARG 9 H ARG 9 35.275 18.278 -7.988
97 HA ARG 9 HA ARG 9 36.492 15.927 -9.175
98 HB2 ARG 9 1HB ARG 9 38.632 17.180 -8.712
99 HB3 ARG 9 2HB ARG 9 37.503 17.991 -9.789
100 HG2 ARG 9 1HG ARG 9 36.811 19.480 -8.051
101 HG3 ARG 9 2HG ARG 9 37.738 18.582 -6.848
102 HD2 ARG 9 1HD ARG 9 39.808 19.224 -7.886
103 HD3 ARG 9 2HD ARG 9 38.950 19.972 -9.232
104 HE ARG 9 HE ARG 9 39.412 21.100 -6.626
105 HH11 ARG 9 1HH1 ARG 9 37.410 21.171 -9.473
106 HH12 ARG 9 2HH1 ARG 9 36.881 22.802 -9.219
107 HH21 ARG 9 1HH2 ARG 9 38.723 23.247 -6.281
108 HH22 ARG 9 2HH2 ARG 9 37.629 23.981 -7.404
109 HA PRO 10 HA PRO 10 37.465 13.769 -5.481
110 HB2 PRO 10 1HB PRO 10 39.906 12.739 -6.070
111 HB3 PRO 10 2HB PRO 10 38.411 12.149 -6.806
112 HG2 PRO 10 1HG PRO 10 40.443 14.052 -7.907
113 HG3 PRO 10 2HG PRO 10 39.610 12.712 -8.717
114 HD2 PRO 10 1HD PRO 10 38.855 15.294 -9.022
115 HD3 PRO 10 2HD PRO 10 37.698 13.949 -9.070
116 H ASN 11 H ASN 11 39.228 16.482 -6.443
117 HA ASN 11 HA ASN 11 40.948 16.431 -4.069
118 HB2 ASN 11 1HB ASN 11 40.947 18.208 -6.515
119 HB3 ASN 11 2HB ASN 11 42.011 18.449 -5.132
120 HD21 ASN 11 2HD2 ASN 11 43.521 18.214 -7.058
121 HD22 ASN 11 1HD2 ASN 11 44.118 16.622 -7.364
122 H CYS 12 H CYS 12 38.462 16.687 -3.241
123 HA CYS 12 HA CYS 12 38.131 19.566 -2.698
124 HB2 CYS 12 1HB CYS 12 35.690 19.016 -2.346
125 HB3 CYS 12 2HB CYS 12 36.256 18.887 -4.008
126 HA PRO 13 HA PRO 13 39.102 17.893 1.392
127 HB2 PRO 13 1HB PRO 13 39.736 20.307 2.459
128 HB3 PRO 13 2HB PRO 13 40.862 19.367 1.472
129 HG2 PRO 13 1HG PRO 13 39.130 21.680 0.688
130 HG3 PRO 13 2HG PRO 13 40.819 21.352 0.261
131 HD2 PRO 13 1HD PRO 13 38.765 20.847 -1.429
132 HD3 PRO 13 2HD PRO 13 40.242 19.862 -1.400
133 H TYR 14 H TYR 14 36.658 19.936 0.255
134 HA TYR 14 HA TYR 14 35.469 20.380 2.879
135 HB2 TYR 14 1HB TYR 14 34.598 21.233 0.112
136 HB3 TYR 14 2HB TYR 14 33.734 21.632 1.593
137 HD1 TYR 14 HD1 TYR 14 34.942 23.016 3.349
138 HD2 TYR 14 HD2 TYR 14 36.399 22.550 -0.621
139 HE1 TYR 14 HE1 TYR 14 36.351 25.012 3.638
140 HE2 TYR 14 HE2 TYR 14 37.812 24.543 -0.343
141 HH TYR 14 HH TYR 14 38.498 26.136 1.039
142 H CYS 15 H CYS 15 35.171 18.299 0.129
143 HA CYS 15 HA CYS 15 32.544 17.422 0.356
144 HB2 CYS 15 1HB CYS 15 35.041 15.967 -0.518
145 HB3 CYS 15 2HB CYS 15 33.431 15.266 -0.644
146 H LYS 16 H LYS 16 35.281 16.797 2.375
147 HA LYS 16 HA LYS 16 34.678 14.403 3.583
148 HB2 LYS 16 1HB LYS 16 35.973 16.916 4.560
149 HB3 LYS 16 2HB LYS 16 35.634 15.629 5.710
150 HG2 LYS 16 1HG LYS 16 37.193 14.231 4.820
151 HG3 LYS 16 2HG LYS 16 37.032 14.904 3.196
152 HD2 LYS 16 1HD LYS 16 39.124 15.659 3.856
153 HD3 LYS 16 2HD LYS 16 38.081 17.031 4.237
154 HE2 LYS 16 1HE LYS 16 37.942 16.213 6.572
155 HE3 LYS 16 2HE LYS 16 39.084 14.935 6.161
156 HZ1 LYS 16 3HZ LYS 16 40.108 17.443 5.361
157 HZ2 LYS 16 1HZ LYS 16 40.758 16.331 6.458
158 HZ3 LYS 16 2HZ LYS 16 39.669 17.509 6.993
159 H ARG 17 H ARG 17 33.281 17.582 4.223
160 HA ARG 17 HA ARG 17 31.777 16.855 6.494
161 HB2 ARG 17 1HB ARG 17 31.227 19.016 4.451
162 HB3 ARG 17 2HB ARG 17 30.473 18.895 6.035
163 HG2 ARG 17 1HG ARG 17 32.317 19.640 7.127
164 HG3 ARG 17 2HG ARG 17 33.432 18.960 5.940
165 HD2 ARG 17 1HD ARG 17 33.248 20.768 4.531
166 HD3 ARG 17 2HD ARG 17 31.645 21.201 5.125
167 HE ARG 17 HE ARG 17 32.643 22.548 6.669
168 HH11 ARG 17 1HH1 ARG 17 34.979 20.224 5.545
169 HH12 ARG 17 2HH1 ARG 17 36.298 20.934 6.417
170 HH21 ARG 17 1HH2 ARG 17 34.371 23.492 7.821
171 HH22 ARG 17 2HH2 ARG 17 35.951 22.792 7.712
172 H ALA 18 H ALA 18 30.788 17.194 3.086
173 HA ALA 18 HA ALA 18 28.152 16.328 3.397
174 HB1 ALA 18 1HB ALA 18 29.247 17.424 1.371
175 HB2 ALA 18 2HB ALA 18 29.768 15.799 0.923
176 HB3 ALA 18 3HB ALA 18 28.049 16.167 1.061
177 H ARG 19 H ARG 19 30.977 14.445 2.296
178 HA ARG 19 HA ARG 19 29.706 11.972 2.126
179 HB2 ARG 19 1HB ARG 19 31.865 11.001 2.029
180 HB3 ARG 19 2HB ARG 19 32.020 12.592 1.294
181 HG2 ARG 19 1HG ARG 19 32.972 13.462 3.365
182 HG3 ARG 19 2HG ARG 19 32.805 11.872 4.111
183 HD2 ARG 19 1HD ARG 19 34.374 12.302 1.584
184 HD3 ARG 19 2HD ARG 19 35.097 12.494 3.181
185 HE ARG 19 HE ARG 19 33.924 10.029 3.248
186 HH11 ARG 19 1HH1 ARG 19 36.267 11.592 1.202
187 HH12 ARG 19 2HH1 ARG 19 37.099 10.123 0.811
188 HH21 ARG 19 1HH2 ARG 19 35.010 8.088 2.741
189 HH22 ARG 19 2HH2 ARG 19 36.382 8.130 1.686
190 H ASP 20 H ASP 20 31.073 13.651 4.883
191 HA ASP 20 HA ASP 20 31.023 11.450 6.676
192 HB2 ASP 20 1HB ASP 20 32.431 13.249 7.282
193 HB3 ASP 20 2HB ASP 20 31.147 14.434 7.065
194 H LEU 21 H LEU 21 28.724 14.012 5.895
195 HA LEU 21 HA LEU 21 26.857 13.432 7.929
196 HB2 LEU 21 1HB LEU 21 27.032 15.498 6.427
197 HB3 LEU 21 2HB LEU 21 26.143 14.551 5.236
198 HG LEU 21 HG LEU 21 24.480 14.277 7.310
199 HD11 LEU 21 1HD1 LEU 21 25.358 17.098 7.721
200 HD12 LEU 21 2HD1 LEU 21 26.166 15.797 8.595
201 HD13 LEU 21 3HD1 LEU 21 24.430 16.040 8.785
202 HD21 LEU 21 3HD2 LEU 21 23.122 15.361 5.921
203 HD22 LEU 21 1HD2 LEU 21 24.531 15.673 4.907
204 HD23 LEU 21 2HD2 LEU 21 24.026 16.865 6.104
205 H LEU 22 H LEU 22 27.060 12.394 4.539
206 HA LEU 22 HA LEU 22 24.703 10.821 4.597
207 HB2 LEU 22 1HB LEU 22 27.048 10.359 2.778
208 HB3 LEU 22 2HB LEU 22 25.345 10.026 2.470
209 HG LEU 22 HG LEU 22 26.247 12.846 2.876
210 HD11 LEU 22 1HD1 LEU 22 27.693 11.553 1.153
211 HD12 LEU 22 2HD1 LEU 22 27.005 13.115 0.713
212 HD13 LEU 22 3HD1 LEU 22 26.246 11.627 0.148
213 HD21 LEU 22 3HD2 LEU 22 24.066 13.109 2.510
214 HD22 LEU 22 1HD2 LEU 22 23.875 11.434 1.992
215 HD23 LEU 22 2HD2 LEU 22 24.388 12.661 0.834
216 H ASP 23 H ASP 23 28.147 9.993 4.894
217 HA ASP 23 HA ASP 23 27.783 7.220 5.208
218 HB2 ASP 23 1HB ASP 23 29.994 9.124 5.918
219 HB3 ASP 23 2HB ASP 23 30.081 7.435 6.412
220 H LYS 24 H LYS 24 27.535 9.884 7.434
221 HA LYS 24 HA LYS 24 27.621 8.279 9.809
222 HB2 LYS 24 1HB LYS 24 28.279 10.599 9.942
223 HB3 LYS 24 2HB LYS 24 26.718 11.121 9.321
224 HG2 LYS 24 1HG LYS 24 26.787 11.498 11.684
225 HG3 LYS 24 2HG LYS 24 25.648 10.192 11.349
226 HD2 LYS 24 1HD LYS 24 26.993 8.594 12.293
227 HD3 LYS 24 2HD LYS 24 28.477 9.484 11.947
228 HE2 LYS 24 1HE LYS 24 28.244 10.849 13.799
229 HE3 LYS 24 2HE LYS 24 26.503 10.588 13.900
230 HZ1 LYS 24 3HZ LYS 24 28.643 8.670 14.639
231 HZ2 LYS 24 1HZ LYS 24 27.002 8.265 14.564
232 HZ3 LYS 24 2HZ LYS 24 27.538 9.420 15.677
233 H LYS 25 H LYS 25 25.092 9.654 7.772
234 HA LYS 25 HA LYS 25 22.932 8.900 9.471
235 HB2 LYS 25 1HB LYS 25 23.089 9.718 6.574
236 HB3 LYS 25 2HB LYS 25 21.568 9.284 7.344
237 HG2 LYS 25 1HG LYS 25 23.400 11.529 8.165
238 HG3 LYS 25 2HG LYS 25 21.863 11.688 7.313
239 HD2 LYS 25 1HD LYS 25 21.172 10.200 9.510
240 HD3 LYS 25 2HD LYS 25 22.404 11.285 10.158
241 HE2 LYS 25 1HE LYS 25 20.985 13.051 8.742
242 HE3 LYS 25 2HE LYS 25 19.709 11.883 9.083
243 HZ1 LYS 25 3HZ LYS 25 21.454 13.029 11.188
244 HZ2 LYS 25 1HZ LYS 25 20.025 12.148 11.395
245 HZ3 LYS 25 2HZ LYS 25 19.969 13.710 10.750
246 H GLY 26 H GLY 26 24.683 7.341 6.871
247 HA2 GLY 26 1HA GLY 26 24.803 4.958 6.734
248 HA3 GLY 26 2HA GLY 26 23.203 4.869 7.456
249 H VAL 27 H VAL 27 24.483 6.665 4.659
250 HA VAL 27 HA VAL 27 22.480 5.291 2.989
251 HB VAL 27 HB VAL 27 22.568 7.512 1.627
252 HG11 VAL 27 1HG1 VAL 27 20.556 6.681 2.662
253 HG12 VAL 27 2HG1 VAL 27 21.090 7.255 4.243
254 HG13 VAL 27 3HG1 VAL 27 20.695 8.412 2.971
255 HG21 VAL 27 3HG2 VAL 27 23.073 9.487 2.799
256 HG22 VAL 27 1HG2 VAL 27 23.145 8.648 4.348
257 HG23 VAL 27 2HG2 VAL 27 24.413 8.395 3.149
258 H LYS 28 H LYS 28 23.017 5.656 0.575
259 HA LYS 28 HA LYS 28 25.900 5.170 0.217
260 HB2 LYS 28 1HB LYS 28 23.491 3.866 -0.867
261 HB3 LYS 28 2HB LYS 28 24.755 4.176 -2.050
262 HG2 LYS 28 1HG LYS 28 25.402 2.119 -1.352
263 HG3 LYS 28 2HG LYS 28 26.273 3.099 -0.171
264 HD2 LYS 28 1HD LYS 28 25.198 1.348 1.030
265 HD3 LYS 28 2HD LYS 28 24.296 2.829 1.359
266 HE2 LYS 28 1HE LYS 28 22.948 1.948 -0.787
267 HE3 LYS 28 2HE LYS 28 23.502 0.405 -0.138
268 HZ1 LYS 28 3HZ LYS 28 22.328 0.708 1.812
269 HZ2 LYS 28 1HZ LYS 28 21.272 1.359 0.662
270 HZ3 LYS 28 2HZ LYS 28 22.212 2.385 1.623
271 H TYR 29 H TYR 29 26.800 7.018 -0.460
272 HA TYR 29 HA TYR 29 25.373 8.692 -2.391
273 HB2 TYR 29 1HB TYR 29 26.908 10.437 -1.827
274 HB3 TYR 29 2HB TYR 29 26.394 9.693 -0.317
275 HD1 TYR 29 HD2 TYR 29 27.946 8.353 1.003
276 HD2 TYR 29 HD1 TYR 29 29.189 10.216 -2.615
277 HE1 TYR 29 HE2 TYR 29 30.296 7.978 1.624
278 HE2 TYR 29 HE1 TYR 29 31.542 9.845 -2.005
279 HH TYR 29 HH TYR 29 32.608 7.762 0.028
280 H THR 30 H THR 30 26.205 9.228 -4.392
281 HA THR 30 HA THR 30 28.367 7.476 -5.349
282 HB THR 30 HB THR 30 26.144 8.817 -6.900
283 HG1 THR 30 HG1 THR 30 25.421 6.993 -5.786
284 HG21 THR 30 3HG2 THR 30 27.012 7.420 -8.795
285 HG22 THR 30 1HG2 THR 30 28.440 7.087 -7.816
286 HG23 THR 30 2HG2 THR 30 28.075 8.741 -8.311
287 H ASP 31 H ASP 31 30.263 8.421 -5.656
288 HA ASP 31 HA ASP 31 30.467 11.301 -5.866
289 HB2 ASP 31 1HB ASP 31 32.101 10.272 -4.470
290 HB3 ASP 31 2HB ASP 31 32.514 9.090 -5.708
291 H ILE 32 H ILE 32 30.471 12.371 -7.719
292 HA ILE 32 HA ILE 32 31.083 10.902 -10.193
293 HB ILE 32 HB ILE 32 29.542 13.477 -9.847
294 HG12 ILE 32 1HG1 ILE 32 28.403 11.405 -9.014
295 HG13 ILE 32 2HG1 ILE 32 27.566 12.195 -10.345
296 HG21 ILE 32 1HG2 ILE 32 28.918 12.988 -12.263
297 HG22 ILE 32 2HG2 ILE 32 30.553 13.574 -11.965
298 HG23 ILE 32 3HG2 ILE 32 30.273 11.860 -12.270
299 HD11 ILE 32 3HD1 ILE 32 29.477 10.091 -11.103
300 HD12 ILE 32 1HD1 ILE 32 28.041 9.560 -10.227
301 HD13 ILE 32 2HD1 ILE 32 27.873 10.458 -11.736
302 H ASP 33 H ASP 33 32.991 11.277 -11.082
303 HA ASP 33 HA ASP 33 34.857 13.133 -10.210
304 HB2 ASP 33 1HB ASP 33 34.612 11.826 -12.928
305 HB3 ASP 33 2HB ASP 33 36.041 12.684 -12.356
306 H ALA 34 H ALA 34 35.503 15.155 -10.879
307 HA ALA 34 HA ALA 34 33.529 16.930 -11.781
308 HB1 ALA 34 1HB ALA 34 35.103 18.055 -10.591
309 HB2 ALA 34 2HB ALA 34 36.438 17.103 -11.242
310 HB3 ALA 34 3HB ALA 34 35.713 18.384 -12.213
311 H SER 35 H SER 35 35.578 14.824 -13.511
312 HA SER 35 HA SER 35 36.108 16.112 -15.879
313 HB2 SER 35 1HB SER 35 36.805 13.779 -15.274
314 HB3 SER 35 2HB SER 35 35.173 13.241 -15.670
315 HG SER 35 HG SER 35 36.866 13.122 -17.375
316 H THR 36 H THR 36 34.682 17.412 -16.864
317 HA THR 36 HA THR 36 31.920 17.186 -16.912
318 HB THR 36 HB THR 36 31.946 18.690 -18.856
319 HG1 THR 36 HG1 THR 36 34.781 18.437 -18.813
320 HG21 THR 36 3HG2 THR 36 34.035 19.382 -16.786
321 HG22 THR 36 1HG2 THR 36 32.298 19.640 -16.630
322 HG23 THR 36 2HG2 THR 36 33.216 20.530 -17.845
323 H SER 37 H SER 37 34.308 15.519 -18.795
324 HA SER 37 HA SER 37 32.941 14.762 -21.054
325 HB2 SER 37 1HB SER 37 34.934 13.267 -19.358
326 HB3 SER 37 2HB SER 37 34.285 12.580 -20.847
327 HG SER 37 HG SER 37 35.925 14.836 -20.491
328 H LEU 38 H LEU 38 32.516 13.635 -17.776
329 HA LEU 38 HA LEU 38 30.310 11.915 -18.704
330 HB2 LEU 38 1HB LEU 38 32.379 10.795 -17.680
331 HB3 LEU 38 2HB LEU 38 31.821 11.468 -16.150
332 HG LEU 38 HG LEU 38 29.597 10.227 -16.752
333 HD11 LEU 38 1HD1 LEU 38 29.618 8.915 -18.535
334 HD12 LEU 38 2HD1 LEU 38 31.001 8.031 -17.891
335 HD13 LEU 38 3HD1 LEU 38 31.258 9.450 -18.906
336 HD21 LEU 38 3HD2 LEU 38 30.340 8.327 -15.486
337 HD22 LEU 38 1HD2 LEU 38 31.116 9.772 -14.840
338 HD23 LEU 38 2HD2 LEU 38 32.026 8.670 -15.875
339 H ARG 39 H ARG 39 31.470 14.177 -16.283
340 HA ARG 39 HA ARG 39 29.202 14.145 -14.609
341 HB2 ARG 39 1HB ARG 39 31.219 15.104 -13.771
342 HB3 ARG 39 2HB ARG 39 31.315 16.236 -15.114
343 HG2 ARG 39 1HG ARG 39 28.855 16.480 -13.569
344 HG3 ARG 39 2HG ARG 39 30.317 16.784 -12.629
345 HD2 ARG 39 1HD ARG 39 30.849 18.654 -13.805
346 HD3 ARG 39 2HD ARG 39 30.162 18.034 -15.306
347 HE ARG 39 HE ARG 39 28.040 18.497 -13.588
348 HH11 ARG 39 1HH1 ARG 39 30.553 20.344 -15.136
349 HH12 ARG 39 2HH1 ARG 39 29.614 21.798 -15.218
350 HH21 ARG 39 1HH2 ARG 39 26.794 20.405 -13.691
351 HH22 ARG 39 2HH2 ARG 39 27.476 21.832 -14.395
352 H GLN 40 H GLN 40 30.089 16.240 -17.337
353 HA GLN 40 HA GLN 40 27.932 17.983 -17.258
354 HB2 GLN 40 1HB GLN 40 29.982 18.122 -18.737
355 HB3 GLN 40 2HB GLN 40 29.199 16.956 -19.796
356 HG2 GLN 40 1HG GLN 40 28.250 18.659 -20.838
357 HG3 GLN 40 2HG GLN 40 27.291 18.937 -19.385
358 HE21 GLN 40 2HE2 GLN 40 28.975 20.521 -21.558
359 HE22 GLN 40 1HE2 GLN 40 29.669 21.782 -20.603
360 H GLU 41 H GLU 41 28.195 14.796 -18.763
361 HA GLU 41 HA GLU 41 25.653 14.850 -20.019
362 HB2 GLU 41 1HB GLU 41 27.043 12.334 -19.136
363 HB3 GLU 41 2HB GLU 41 26.012 12.582 -20.538
364 HG2 GLU 41 1HG GLU 41 28.822 13.567 -20.132
365 HG3 GLU 41 2HG GLU 41 28.253 12.375 -21.299
366 H MET 42 H MET 42 26.791 13.369 -16.990
367 HA MET 42 HA MET 42 24.361 12.255 -16.187
368 HB2 MET 42 1HB MET 42 26.572 13.352 -14.440
369 HB3 MET 42 2HB MET 42 25.310 12.244 -13.921
370 HG2 MET 42 1HG MET 42 26.650 11.177 -16.214
371 HG3 MET 42 2HG MET 42 27.827 11.622 -14.981
372 HE1 MET 42 3HE MET 42 28.009 8.474 -13.182
373 HE2 MET 42 1HE MET 42 28.346 8.669 -14.903
374 HE3 MET 42 2HE MET 42 28.729 9.971 -13.777
375 H VAL 43 H VAL 43 25.783 15.401 -15.305
376 HA VAL 43 HA VAL 43 23.600 16.286 -13.759
377 HB VAL 43 HB VAL 43 25.917 17.274 -13.748
378 HG11 VAL 43 1HG1 VAL 43 24.924 18.689 -16.221
379 HG12 VAL 43 2HG1 VAL 43 26.437 19.012 -15.372
380 HG13 VAL 43 3HG1 VAL 43 26.190 17.462 -16.177
381 HG21 VAL 43 3HG2 VAL 43 23.805 18.320 -12.774
382 HG22 VAL 43 1HG2 VAL 43 25.174 19.395 -13.062
383 HG23 VAL 43 2HG2 VAL 43 23.815 19.377 -14.186
384 H GLN 44 H GLN 44 24.298 16.456 -17.191
385 HA GLN 44 HA GLN 44 22.379 18.370 -17.921
386 HB2 GLN 44 1HB GLN 44 23.755 17.993 -19.691
387 HB3 GLN 44 2HB GLN 44 23.954 16.288 -19.309
388 HG2 GLN 44 1HG GLN 44 22.815 16.605 -21.435
389 HG3 GLN 44 2HG GLN 44 21.779 15.796 -20.260
390 HE21 GLN 44 2HE2 GLN 44 19.772 16.404 -20.641
391 HE22 GLN 44 1HE2 GLN 44 19.232 18.026 -20.891
392 H ARG 45 H ARG 45 22.182 14.814 -17.921
393 HA ARG 45 HA ARG 45 19.371 14.857 -18.545
394 HB2 ARG 45 1HB ARG 45 20.803 13.043 -19.361
395 HB3 ARG 45 2HB ARG 45 21.168 12.576 -17.705
396 HG2 ARG 45 1HG ARG 45 18.310 12.674 -18.310
397 HG3 ARG 45 2HG ARG 45 19.214 11.487 -19.253
398 HD2 ARG 45 1HD ARG 45 19.813 11.595 -16.364
399 HD3 ARG 45 2HD ARG 45 18.214 10.998 -16.805
400 HE ARG 45 HE ARG 45 20.700 9.641 -17.134
401 HH11 ARG 45 1HH1 ARG 45 17.524 10.041 -18.503
402 HH12 ARG 45 2HH1 ARG 45 17.505 8.477 -19.248
403 HH21 ARG 45 1HH2 ARG 45 20.688 7.579 -18.110
404 HH22 ARG 45 2HH2 ARG 45 19.305 7.077 -19.023
405 H ALA 46 H ALA 46 21.200 15.197 -15.736
406 HA ALA 46 HA ALA 46 19.380 13.944 -13.903
407 HB1 ALA 46 1HB ALA 46 21.691 14.102 -13.283
408 HB2 ALA 46 2HB ALA 46 21.667 15.857 -13.461
409 HB3 ALA 46 3HB ALA 46 20.745 15.089 -12.168
410 H ASN 47 H ASN 47 20.013 17.254 -14.985
411 HA ASN 47 HA ASN 47 17.514 18.078 -13.657
412 HB2 ASN 47 1HB ASN 47 18.694 20.431 -13.832
413 HB3 ASN 47 2HB ASN 47 19.062 19.340 -12.499
414 HD21 ASN 47 2HD2 ASN 47 20.166 20.507 -15.617
415 HD22 ASN 47 1HD2 ASN 47 21.836 20.138 -15.373
416 H GLY 48 H GLY 48 19.654 18.620 -16.434
417 HA2 GLY 48 1HA GLY 48 18.408 18.518 -18.616
418 HA3 GLY 48 2HA GLY 48 17.324 19.700 -17.896
419 H ARG 49 H ARG 49 20.762 19.812 -17.337
420 HA ARG 49 HA ARG 49 21.504 21.495 -19.459
421 HB2 ARG 49 1HB ARG 49 19.833 22.900 -17.960
422 HB3 ARG 49 2HB ARG 49 21.270 23.131 -16.973
423 HG2 ARG 49 1HG ARG 49 22.344 24.370 -18.579
424 HG3 ARG 49 2HG ARG 49 21.423 23.650 -19.902
425 HD2 ARG 49 1HD ARG 49 19.860 25.183 -17.928
426 HD3 ARG 49 2HD ARG 49 20.975 26.123 -18.920
427 HE ARG 49 HE ARG 49 19.378 24.331 -20.470
428 HH11 ARG 49 1HH1 ARG 49 19.408 27.432 -18.889
429 HH12 ARG 49 2HH1 ARG 49 18.201 28.118 -19.925
430 HH21 ARG 49 1HH2 ARG 49 17.788 25.222 -21.841
431 HH22 ARG 49 2HH2 ARG 49 17.279 26.860 -21.603
432 H ASN 50 H ASN 50 23.580 22.770 -18.851
433 HA ASN 50 HA ASN 50 25.084 21.495 -16.702
434 HB2 ASN 50 1HB ASN 50 26.998 21.094 -18.336
435 HB3 ASN 50 2HB ASN 50 25.624 19.999 -18.462
436 HD21 ASN 50 2HD2 ASN 50 24.150 20.276 -20.190
437 HD22 ASN 50 1HD2 ASN 50 24.634 21.073 -21.645
438 H THR 51 H THR 51 26.754 22.729 -15.905
439 HA THR 51 HA THR 51 27.808 25.006 -17.251
440 HB THR 51 HB THR 51 26.093 26.404 -16.774
441 HG1 THR 51 HG1 THR 51 26.370 27.229 -14.490
442 HG21 THR 51 3HG2 THR 51 24.404 25.034 -16.025
443 HG22 THR 51 1HG2 THR 51 24.700 25.996 -14.577
444 HG23 THR 51 2HG2 THR 51 25.376 24.372 -14.711
445 H PHE 52 H PHE 52 27.031 24.404 -13.826
446 HA PHE 52 HA PHE 52 29.909 24.081 -13.308
447 HB2 PHE 52 1HB PHE 52 28.068 25.540 -11.419
448 HB3 PHE 52 2HB PHE 52 29.827 25.491 -11.403
449 HD1 PHE 52 HD2 PHE 52 30.558 26.111 -14.128
450 HD2 PHE 52 HD1 PHE 52 27.439 27.731 -11.728
451 HE1 PHE 52 HE2 PHE 52 30.628 28.187 -15.446
452 HE2 PHE 52 HE1 PHE 52 27.503 29.810 -13.042
453 HZ PHE 52 HZ PHE 52 29.100 30.041 -14.903
454 HA PRO 53 HA PRO 53 28.837 20.494 -11.018
455 HB2 PRO 53 1HB PRO 53 30.789 20.480 -9.130
456 HB3 PRO 53 2HB PRO 53 31.091 20.091 -10.828
457 HG2 PRO 53 1HG PRO 53 31.559 22.658 -9.360
458 HG3 PRO 53 2HG PRO 53 32.601 21.836 -10.536
459 HD2 PRO 53 1HD PRO 53 31.038 23.946 -11.198
460 HD3 PRO 53 2HD PRO 53 31.411 22.639 -12.340
461 H GLN 54 H GLN 54 28.247 19.704 -8.854
462 HA GLN 54 HA GLN 54 27.952 21.343 -6.608
463 HB2 GLN 54 1HB GLN 54 25.394 21.555 -6.756
464 HB3 GLN 54 2HB GLN 54 26.368 22.693 -7.677
465 HG2 GLN 54 1HG GLN 54 24.481 21.895 -8.977
466 HG3 GLN 54 2HG GLN 54 26.008 21.390 -9.698
467 HE21 GLN 54 2HE2 GLN 54 24.016 20.098 -7.062
468 HE22 GLN 54 1HE2 GLN 54 23.871 18.508 -7.722
469 H ILE 55 H ILE 55 26.051 20.412 -5.154
470 HA ILE 55 HA ILE 55 26.426 17.510 -5.196
471 HB ILE 55 HB ILE 55 25.432 19.339 -3.009
472 HG12 ILE 55 1HG1 ILE 55 27.596 18.298 -1.946
473 HG13 ILE 55 2HG1 ILE 55 28.042 18.001 -3.623
474 HG21 ILE 55 1HG2 ILE 55 25.579 16.363 -3.206
475 HG22 ILE 55 2HG2 ILE 55 25.808 17.154 -1.647
476 HG23 ILE 55 3HG2 ILE 55 24.304 17.382 -2.539
477 HD11 ILE 55 3HD1 ILE 55 28.459 20.167 -4.027
478 HD12 ILE 55 1HD1 ILE 55 27.116 20.724 -3.029
479 HD13 ILE 55 2HD1 ILE 55 28.638 20.248 -2.274
480 H PHE 56 H PHE 56 24.877 16.267 -5.991
481 HA PHE 56 HA PHE 56 22.165 17.324 -6.239
482 HB2 PHE 56 1HB PHE 56 23.795 15.670 -7.859
483 HB3 PHE 56 2HB PHE 56 22.439 14.683 -7.325
484 HD1 PHE 56 HD1 PHE 56 20.155 15.271 -7.939
485 HD2 PHE 56 HD2 PHE 56 23.481 17.523 -9.345
486 HE1 PHE 56 HE1 PHE 56 18.725 16.307 -9.653
487 HE2 PHE 56 HE2 PHE 56 22.057 18.563 -11.061
488 HZ PHE 56 HZ PHE 56 19.675 17.956 -11.216
489 H ILE 57 H ILE 57 20.395 16.437 -5.269
490 HA ILE 57 HA ILE 57 20.735 14.034 -3.636
491 HB ILE 57 HB ILE 57 19.425 15.214 -1.786
492 HG12 ILE 57 1HG1 ILE 57 20.563 17.677 -3.118
493 HG13 ILE 57 2HG1 ILE 57 18.871 17.204 -3.221
494 HG21 ILE 57 1HG2 ILE 57 22.294 15.564 -2.464
495 HG22 ILE 57 2HG2 ILE 57 21.654 16.458 -1.086
496 HG23 ILE 57 3HG2 ILE 57 21.544 14.699 -1.122
497 HD11 ILE 57 3HD1 ILE 57 18.865 18.756 -1.522
498 HD12 ILE 57 1HD1 ILE 57 18.963 17.234 -0.638
499 HD13 ILE 57 2HD1 ILE 57 20.413 18.210 -0.875
500 H GLY 58 H GLY 58 19.133 12.679 -4.074
501 HA2 GLY 58 1HA GLY 58 17.128 11.876 -4.869
502 HA3 GLY 58 2HA GLY 58 16.434 13.150 -3.876
503 H ASP 59 H ASP 59 18.427 13.411 -6.798
504 HA ASP 59 HA ASP 59 18.016 14.316 -8.846
505 HB2 ASP 59 1HB ASP 59 15.921 12.760 -8.550
506 HB3 ASP 59 2HB ASP 59 15.061 14.286 -8.365
507 H TYR 60 H TYR 60 18.297 15.947 -6.456
508 HA TYR 60 HA TYR 60 17.144 18.416 -7.525
509 HB2 TYR 60 1HB TYR 60 15.587 17.905 -5.801
510 HB3 TYR 60 2HB TYR 60 16.865 17.433 -4.686
511 HD1 TYR 60 HD2 TYR 60 18.212 19.128 -3.548
512 HD2 TYR 60 HD1 TYR 60 15.028 20.229 -6.146
513 HE1 TYR 60 HE2 TYR 60 18.252 21.406 -2.621
514 HE2 TYR 60 HE1 TYR 60 15.060 22.511 -5.228
515 HH TYR 60 HH TYR 60 16.311 23.982 -3.995
516 H HIS 61 H HIS 61 18.914 19.517 -8.066
517 HA HIS 61 HA HIS 61 21.448 19.219 -6.880
518 HB2 HIS 61 1HB HIS 61 21.960 21.393 -8.089
519 HB3 HIS 61 2HB HIS 61 21.368 20.074 -9.094
520 HD1 HIS 61 HD1 HIS 61 18.985 20.323 -10.095
521 HD2 HIS 61 HD2 HIS 61 20.286 23.616 -7.922
522 HE1 HIS 61 HE1 HIS 61 17.383 22.177 -10.660
523 H VAL 62 H VAL 62 22.558 20.420 -5.373
524 HA VAL 62 HA VAL 62 20.889 22.099 -3.638
525 HB VAL 62 HB VAL 62 23.539 20.758 -3.084
526 HG11 VAL 62 1HG1 VAL 62 22.209 22.942 -1.763
527 HG12 VAL 62 2HG1 VAL 62 22.334 21.548 -0.689
528 HG13 VAL 62 3HG1 VAL 62 23.784 22.223 -1.431
529 HG21 VAL 62 3HG2 VAL 62 20.722 19.994 -2.678
530 HG22 VAL 62 1HG2 VAL 62 22.157 18.987 -2.870
531 HG23 VAL 62 2HG2 VAL 62 21.795 19.719 -1.306
532 H GLY 63 H GLY 63 24.369 22.034 -4.429
533 HA2 GLY 63 1HA GLY 63 24.809 24.250 -5.832
534 HA3 GLY 63 2HA GLY 63 24.431 24.943 -4.262
535 H GLY 64 H GLY 64 25.719 23.913 -2.400
536 HA2 GLY 64 1HA GLY 64 28.457 23.281 -3.288
537 HA3 GLY 64 2HA GLY 64 28.184 24.563 -2.117
538 H CYS 65 H CYS 65 29.790 22.971 -1.048
539 HA CYS 65 HA CYS 65 28.744 20.554 0.035
540 HB2 CYS 65 1HB CYS 65 31.107 22.197 0.967
541 HB3 CYS 65 2HB CYS 65 30.772 20.527 1.407
542 HG CYS 65 HG CYS 65 32.454 21.677 -1.148
543 H ASP 66 H ASP 66 29.711 23.552 1.713
544 HA ASP 66 HA ASP 66 28.509 22.976 4.148
545 HB2 ASP 66 1HB ASP 66 30.125 24.830 3.735
546 HB3 ASP 66 2HB ASP 66 28.840 25.724 2.929
547 H ASP 67 H ASP 67 27.102 24.058 1.178
548 HA ASP 67 HA ASP 67 24.766 25.276 2.012
549 HB2 ASP 67 1HB ASP 67 25.228 23.442 -0.347
550 HB3 ASP 67 2HB ASP 67 23.773 24.411 -0.123
551 H LEU 68 H LEU 68 25.220 21.806 1.316
552 HA LEU 68 HA LEU 68 22.709 20.905 2.024
553 HB2 LEU 68 1HB LEU 68 23.616 18.759 2.144
554 HB3 LEU 68 2HB LEU 68 24.656 19.619 1.011
555 HG LEU 68 HG LEU 68 26.088 20.008 3.216
556 HD11 LEU 68 1HD1 LEU 68 25.935 17.575 4.294
557 HD12 LEU 68 2HD1 LEU 68 24.241 17.788 3.856
558 HD13 LEU 68 3HD1 LEU 68 25.029 18.954 4.918
559 HD21 LEU 68 3HD2 LEU 68 27.486 18.886 1.911
560 HD22 LEU 68 1HD2 LEU 68 26.134 18.203 1.007
561 HD23 LEU 68 2HD2 LEU 68 26.745 17.375 2.439
562 H TYR 69 H TYR 69 25.467 21.628 4.093
563 HA TYR 69 HA TYR 69 24.355 20.580 6.482
564 HB2 TYR 69 1HB TYR 69 26.764 21.923 5.688
565 HB3 TYR 69 2HB TYR 69 26.125 22.687 7.140
566 HD1 TYR 69 HD1 TYR 69 26.905 19.311 5.751
567 HD2 TYR 69 HD2 TYR 69 26.623 21.771 9.211
568 HE1 TYR 69 HE1 TYR 69 27.845 17.492 7.114
569 HE2 TYR 69 HE2 TYR 69 27.563 19.959 10.583
570 HH TYR 69 HH TYR 69 28.579 17.954 10.540
571 H ALA 70 H ALA 70 24.604 23.904 5.230
572 HA ALA 70 HA ALA 70 23.259 25.181 7.318
573 HB1 ALA 70 1HB ALA 70 22.780 26.351 4.682
574 HB2 ALA 70 2HB ALA 70 23.568 27.036 6.104
575 HB3 ALA 70 3HB ALA 70 24.475 25.992 5.010
576 H LEU 71 H LEU 71 22.028 23.666 4.373
577 HA LEU 71 HA LEU 71 19.350 24.508 4.644
578 HB2 LEU 71 1HB LEU 71 20.486 22.064 3.294
579 HB3 LEU 71 2HB LEU 71 18.834 22.648 3.103
580 HG LEU 71 HG LEU 71 21.171 24.385 2.387
581 HD11 LEU 71 1HD1 LEU 71 21.163 23.551 0.156
582 HD12 LEU 71 2HD1 LEU 71 19.809 22.476 0.500
583 HD13 LEU 71 3HD1 LEU 71 21.382 22.175 1.237
584 HD21 LEU 71 3HD2 LEU 71 18.679 24.408 0.839
585 HD22 LEU 71 1HD2 LEU 71 19.635 25.745 1.477
586 HD23 LEU 71 2HD2 LEU 71 18.506 24.889 2.527
587 H GLU 72 H GLU 72 20.843 21.359 5.411
588 HA GLU 72 HA GLU 72 18.607 20.196 6.600
589 HB2 GLU 72 1HB GLU 72 20.115 18.590 7.564
590 HB3 GLU 72 2HB GLU 72 20.690 18.994 5.953
591 HG2 GLU 72 1HG GLU 72 22.452 20.311 6.803
592 HG3 GLU 72 2HG GLU 72 21.769 20.304 8.428
593 H ASN 73 H ASN 73 20.871 22.523 7.834
594 HA ASN 73 HA ASN 73 20.010 22.184 10.582
595 HB2 ASN 73 1HB ASN 73 22.366 22.751 10.029
596 HB3 ASN 73 2HB ASN 73 21.817 24.295 9.384
597 HD21 ASN 73 2HD2 ASN 73 20.970 22.456 12.295
598 HD22 ASN 73 1HD2 ASN 73 21.332 23.726 13.409
599 H LYS 74 H LYS 74 19.224 24.121 7.840
600 HA LYS 74 HA LYS 74 17.937 26.221 9.336
601 HB2 LYS 74 1HB LYS 74 18.597 25.681 6.554
602 HB3 LYS 74 2HB LYS 74 16.976 26.340 6.729
603 HG2 LYS 74 1HG LYS 74 18.552 28.123 6.365
604 HG3 LYS 74 2HG LYS 74 17.903 28.228 8.003
605 HD2 LYS 74 1HD LYS 74 19.985 26.883 8.691
606 HD3 LYS 74 2HD LYS 74 20.624 27.331 7.108
607 HE2 LYS 74 1HE LYS 74 19.547 29.365 9.041
608 HE3 LYS 74 2HE LYS 74 21.227 28.832 9.078
609 HZ1 LYS 74 3HZ LYS 74 21.545 29.625 6.862
610 HZ2 LYS 74 1HZ LYS 74 20.857 30.877 7.769
611 HZ3 LYS 74 2HZ LYS 74 19.903 29.992 6.689
612 H GLY 75 H GLY 75 17.069 23.126 8.094
613 HA2 GLY 75 1HA GLY 75 14.954 22.361 9.312
614 HA3 GLY 75 2HA GLY 75 14.209 23.725 8.492
615 H LYS 76 H LYS 76 16.462 22.622 6.402
616 HA LYS 76 HA LYS 76 14.460 21.229 4.825
617 HB2 LYS 76 1HB LYS 76 17.312 21.789 4.027
618 HB3 LYS 76 2HB LYS 76 15.933 21.488 2.978
619 HG2 LYS 76 1HG LYS 76 16.240 23.906 4.745
620 HG3 LYS 76 2HG LYS 76 16.643 23.853 3.027
621 HD2 LYS 76 1HD LYS 76 13.914 23.262 4.168
622 HD3 LYS 76 2HD LYS 76 14.402 24.817 3.491
623 HE2 LYS 76 1HE LYS 76 13.513 23.947 1.605
624 HE3 LYS 76 2HE LYS 76 15.105 23.201 1.466
625 HZ1 LYS 76 3HZ LYS 76 12.814 21.841 1.385
626 HZ2 LYS 76 1HZ LYS 76 13.168 21.721 3.035
627 HZ3 LYS 76 2HZ LYS 76 14.283 21.170 1.890
628 H LEU 77 H LEU 77 16.163 20.183 7.251
629 HA LEU 77 HA LEU 77 17.787 18.094 6.399
630 HB2 LEU 77 1HB LEU 77 17.889 18.625 8.667
631 HB3 LEU 77 2HB LEU 77 16.139 18.537 8.860
632 HG LEU 77 HG LEU 77 17.263 15.975 8.105
633 HD11 LEU 77 1HD1 LEU 77 19.243 16.490 9.226
634 HD12 LEU 77 2HD1 LEU 77 18.272 15.649 10.434
635 HD13 LEU 77 3HD1 LEU 77 18.406 17.407 10.479
636 HD21 LEU 77 3HD2 LEU 77 15.135 15.893 8.983
637 HD22 LEU 77 1HD2 LEU 77 15.479 17.110 10.212
638 HD23 LEU 77 2HD2 LEU 77 16.110 15.473 10.392
639 H ASP 78 H ASP 78 14.293 18.199 6.881
640 HA ASP 78 HA ASP 78 13.693 15.501 6.634
641 HB2 ASP 78 1HB ASP 78 12.222 18.035 6.122
642 HB3 ASP 78 2HB ASP 78 11.539 16.559 5.445
643 H SER 79 H SER 79 13.927 17.952 4.064
644 HA SER 79 HA SER 79 13.387 16.183 1.933
645 HB2 SER 79 1HB SER 79 13.268 18.699 1.836
646 HB3 SER 79 2HB SER 79 15.030 18.719 1.786
647 HG SER 79 HG SER 79 14.975 17.658 -0.164
648 H LEU 80 H LEU 80 16.456 17.430 3.229
649 HA LEU 80 HA LEU 80 18.196 16.168 1.476
650 HB2 LEU 80 1HB LEU 80 18.371 17.246 4.219
651 HB3 LEU 80 2HB LEU 80 19.634 16.109 3.751
652 HG LEU 80 HG LEU 80 20.196 18.536 3.450
653 HD11 LEU 80 1HD1 LEU 80 21.582 17.078 2.292
654 HD12 LEU 80 2HD1 LEU 80 20.995 18.161 1.030
655 HD13 LEU 80 3HD1 LEU 80 20.292 16.553 1.209
656 HD21 LEU 80 3HD2 LEU 80 18.480 18.470 1.002
657 HD22 LEU 80 1HD2 LEU 80 19.175 19.853 1.847
658 HD23 LEU 80 2HD2 LEU 80 17.807 18.988 2.548
659 H LEU 81 H LEU 81 17.032 14.991 4.631
660 HA LEU 81 HA LEU 81 18.331 12.507 4.546
661 HB2 LEU 81 1HB LEU 81 16.346 13.821 6.178
662 HB3 LEU 81 2HB LEU 81 15.957 12.116 5.960
663 HG LEU 81 HG LEU 81 18.490 11.813 6.660
664 HD11 LEU 81 1HD1 LEU 81 19.515 13.592 7.494
665 HD12 LEU 81 2HD1 LEU 81 18.183 13.884 8.612
666 HD13 LEU 81 3HD1 LEU 81 18.143 14.580 6.992
667 HD21 LEU 81 3HD2 LEU 81 16.195 12.364 8.537
668 HD22 LEU 81 1HD2 LEU 81 17.714 11.602 9.010
669 HD23 LEU 81 2HD2 LEU 81 16.657 10.809 7.842
670 H GLN 82 H GLN 82 15.161 13.530 3.378
671 HA GLN 82 HA GLN 82 14.277 10.929 2.645
672 HB2 GLN 82 1HB GLN 82 12.618 12.602 2.995
673 HB3 GLN 82 2HB GLN 82 13.381 13.695 1.847
674 HG2 GLN 82 1HG GLN 82 12.696 12.395 0.003
675 HG3 GLN 82 2HG GLN 82 12.233 11.044 1.035
676 HE21 GLN 82 2HE2 GLN 82 11.505 14.484 0.569
677 HE22 GLN 82 1HE2 GLN 82 9.803 14.334 0.822
678 H ASP 83 H ASP 83 16.339 13.260 1.167
679 HA ASP 83 HA ASP 83 16.089 12.136 -1.492
680 HB2 ASP 83 1HB ASP 83 17.723 14.354 -0.289
681 HB3 ASP 83 2HB ASP 83 18.082 13.743 -1.901
682 H VAL 84 H VAL 84 18.426 12.141 1.157
683 HA VAL 84 HA VAL 84 20.357 10.571 -0.281
684 HB VAL 84 HB VAL 84 21.568 10.448 1.842
685 HG11 VAL 84 1HG1 VAL 84 20.513 13.099 0.931
686 HG12 VAL 84 2HG1 VAL 84 21.662 12.995 2.267
687 HG13 VAL 84 3HG1 VAL 84 22.103 12.382 0.672
688 HG21 VAL 84 3HG2 VAL 84 18.992 11.506 2.926
689 HG22 VAL 84 1HG2 VAL 84 20.021 10.211 3.538
690 HG23 VAL 84 2HG2 VAL 84 20.509 11.894 3.736
691 H HIS 85 H HIS 85 17.764 9.955 1.996
692 HA HIS 85 HA HIS 85 18.379 7.380 2.815
693 HB2 HIS 85 1HB HIS 85 15.871 8.945 2.519
694 HB3 HIS 85 2HB HIS 85 15.705 7.202 2.704
695 HD1 HIS 85 HD1 HIS 85 14.502 8.082 5.001
696 HD2 HIS 85 HD2 HIS 85 18.638 8.403 4.774
697 HE1 HIS 85 HE1 HIS 85 15.287 8.354 7.375
Start of MODEL 19
1 H1 GLY -3 H GLY -3 15.899 -5.598 -2.167
2 HA2 GLY -3 1HA GLY -3 16.143 -2.778 -2.575
3 HA3 GLY -3 2HA GLY -3 14.658 -3.715 -2.647
4 HA PRO -2 HA PRO -2 15.274 -2.592 2.016
5 HB2 PRO -2 1HB PRO -2 17.292 -0.872 2.602
6 HB3 PRO -2 2HB PRO -2 17.501 -2.627 2.582
7 HG2 PRO -2 1HG PRO -2 18.202 -0.614 0.482
8 HG3 PRO -2 2HG PRO -2 19.138 -2.008 1.052
9 HD2 PRO -2 1HD PRO -2 17.701 -2.057 -1.243
10 HD3 PRO -2 2HD PRO -2 17.937 -3.498 -0.233
11 H GLY -1 H GLY -1 15.404 -0.290 3.289
12 HA2 GLY -1 1HA GLY -1 13.384 1.294 2.125
13 HA3 GLY -1 2HA GLY -1 14.339 1.728 3.535
14 H SER 0 H SER 0 13.856 2.188 0.165
15 HA SER 0 HA SER 0 15.725 4.419 0.204
16 HB2 SER 0 1HB SER 0 16.780 3.725 -1.928
17 HB3 SER 0 2HB SER 0 17.110 2.586 -0.623
18 HG SER 0 HG SER 0 16.356 1.164 -1.971
19 H MET 1 H MET 1 14.672 6.118 -0.559
20 HA MET 1 HA MET 1 12.583 5.682 -2.591
21 HB2 MET 1 1HB MET 1 12.736 7.885 -0.526
22 HB3 MET 1 2HB MET 1 11.453 7.665 -1.708
23 HG2 MET 1 1HG MET 1 10.497 5.959 -0.566
24 HG3 MET 1 2HG MET 1 12.031 5.393 0.092
25 HE1 MET 1 3HE MET 1 8.956 8.186 1.274
26 HE2 MET 1 1HE MET 1 10.290 9.340 1.251
27 HE3 MET 1 2HE MET 1 9.919 8.393 -0.190
28 H LYS 2 H LYS 2 15.438 7.423 -1.708
29 HA LYS 2 HA LYS 2 15.540 8.584 -4.383
30 HB2 LYS 2 1HB LYS 2 15.825 10.192 -1.840
31 HB3 LYS 2 2HB LYS 2 16.292 10.777 -3.432
32 HG2 LYS 2 1HG LYS 2 13.505 9.862 -2.777
33 HG3 LYS 2 2HG LYS 2 14.046 11.532 -2.594
34 HD2 LYS 2 1HD LYS 2 14.830 11.241 -5.071
35 HD3 LYS 2 2HD LYS 2 13.660 9.919 -5.080
36 HE2 LYS 2 1HE LYS 2 12.620 11.957 -5.876
37 HE3 LYS 2 2HE LYS 2 11.917 11.483 -4.330
38 HZ1 LYS 2 3HZ LYS 2 14.053 13.150 -3.753
39 HZ2 LYS 2 1HZ LYS 2 12.405 13.496 -3.588
40 HZ3 LYS 2 2HZ LYS 2 13.213 13.895 -5.019
41 H GLU 3 H GLU 3 17.783 9.831 -4.538
42 HA GLU 3 HA GLU 3 19.862 8.391 -3.072
43 HB2 GLU 3 1HB GLU 3 21.032 7.700 -5.037
44 HB3 GLU 3 2HB GLU 3 19.371 7.146 -5.196
45 HG2 GLU 3 1HG GLU 3 19.124 9.464 -6.460
46 HG3 GLU 3 2HG GLU 3 20.845 9.199 -6.734
47 H ILE 4 H ILE 4 21.850 9.461 -2.971
48 HA ILE 4 HA ILE 4 21.723 12.294 -3.752
49 HB ILE 4 HB ILE 4 21.983 11.750 -1.316
50 HG12 ILE 4 1HG1 ILE 4 22.878 13.846 -2.616
51 HG13 ILE 4 2HG1 ILE 4 23.331 13.596 -0.933
52 HG21 ILE 4 1HG2 ILE 4 24.229 11.044 -0.556
53 HG22 ILE 4 2HG2 ILE 4 23.387 9.799 -1.476
54 HG23 ILE 4 3HG2 ILE 4 24.670 10.740 -2.236
55 HD11 ILE 4 3HD1 ILE 4 25.495 13.171 -1.438
56 HD12 ILE 4 1HD1 ILE 4 25.108 12.448 -2.999
57 HD13 ILE 4 2HD1 ILE 4 25.095 14.202 -2.812
58 H ILE 5 H ILE 5 23.276 13.204 -5.000
59 HA ILE 5 HA ILE 5 25.638 11.615 -5.697
60 HB ILE 5 HB ILE 5 24.120 13.049 -7.854
61 HG12 ILE 5 1HG1 ILE 5 23.783 10.161 -7.013
62 HG13 ILE 5 2HG1 ILE 5 22.563 11.425 -6.892
63 HG21 ILE 5 1HG2 ILE 5 26.610 11.885 -7.761
64 HG22 ILE 5 2HG2 ILE 5 25.612 10.635 -8.503
65 HG23 ILE 5 3HG2 ILE 5 25.690 12.243 -9.223
66 HD11 ILE 5 3HD1 ILE 5 23.203 11.517 -9.536
67 HD12 ILE 5 1HD1 ILE 5 23.368 9.799 -9.176
68 HD13 ILE 5 2HD1 ILE 5 21.846 10.628 -8.845
69 H LEU 6 H LEU 6 27.328 12.836 -5.204
70 HA LEU 6 HA LEU 6 27.113 15.735 -5.229
71 HB2 LEU 6 1HB LEU 6 29.452 15.596 -4.301
72 HB3 LEU 6 2HB LEU 6 28.177 14.889 -3.311
73 HG LEU 6 HG LEU 6 29.228 12.820 -4.931
74 HD11 LEU 6 1HD1 LEU 6 31.264 14.727 -3.914
75 HD12 LEU 6 2HD1 LEU 6 31.284 13.708 -5.352
76 HD13 LEU 6 3HD1 LEU 6 31.593 13.001 -3.766
77 HD21 LEU 6 3HD2 LEU 6 29.709 11.795 -2.827
78 HD22 LEU 6 1HD2 LEU 6 28.205 12.701 -2.656
79 HD23 LEU 6 2HD2 LEU 6 29.708 13.355 -2.004
80 H TYR 7 H TYR 7 27.935 17.034 -6.747
81 HA TYR 7 HA TYR 7 29.504 15.792 -8.902
82 HB2 TYR 7 1HB TYR 7 27.641 18.158 -8.857
83 HB3 TYR 7 2HB TYR 7 28.774 17.898 -10.179
84 HD1 TYR 7 HD1 TYR 7 28.585 15.799 -11.550
85 HD2 TYR 7 HD2 TYR 7 25.611 16.953 -8.735
86 HE1 TYR 7 HE1 TYR 7 26.980 14.283 -12.634
87 HE2 TYR 7 HE2 TYR 7 23.998 15.439 -9.810
88 HH TYR 7 HH TYR 7 23.776 13.728 -11.281
89 H THR 8 H THR 8 31.611 16.091 -8.559
90 HA THR 8 HA THR 8 32.820 18.602 -8.740
91 HB THR 8 HB THR 8 33.802 18.138 -6.192
92 HG1 THR 8 HG1 THR 8 31.021 18.228 -5.833
93 HG21 THR 8 3HG2 THR 8 31.563 20.054 -6.427
94 HG22 THR 8 1HG2 THR 8 32.877 20.245 -7.587
95 HG23 THR 8 2HG2 THR 8 33.213 20.303 -5.856
96 H ARG 9 H ARG 9 35.225 18.465 -8.010
97 HA ARG 9 HA ARG 9 36.252 15.973 -9.088
98 HB2 ARG 9 1HB ARG 9 38.466 17.198 -8.930
99 HB3 ARG 9 2HB ARG 9 37.268 17.905 -10.005
100 HG2 ARG 9 1HG ARG 9 36.904 19.715 -8.635
101 HG3 ARG 9 2HG ARG 9 37.449 18.863 -7.189
102 HD2 ARG 9 1HD ARG 9 39.725 18.831 -8.601
103 HD3 ARG 9 2HD ARG 9 39.005 20.302 -9.253
104 HE ARG 9 HE ARG 9 40.151 19.963 -6.670
105 HH11 ARG 9 1HH1 ARG 9 37.649 21.643 -8.412
106 HH12 ARG 9 2HH1 ARG 9 37.599 22.979 -7.310
107 HH21 ARG 9 1HH2 ARG 9 40.095 21.717 -5.213
108 HH22 ARG 9 2HH2 ARG 9 38.991 23.021 -5.492
109 HA PRO 10 HA PRO 10 37.531 14.138 -5.313
110 HB2 PRO 10 1HB PRO 10 39.867 12.959 -6.038
111 HB3 PRO 10 2HB PRO 10 38.287 12.362 -6.560
112 HG2 PRO 10 1HG PRO 10 40.251 14.069 -8.040
113 HG3 PRO 10 2HG PRO 10 39.299 12.693 -8.627
114 HD2 PRO 10 1HD PRO 10 38.594 15.263 -9.108
115 HD3 PRO 10 2HD PRO 10 37.398 13.966 -8.908
116 H ASN 11 H ASN 11 39.521 13.898 -3.844
117 HA ASN 11 HA ASN 11 41.127 14.846 -2.540
118 HB2 ASN 11 1HB ASN 11 41.847 16.755 -4.741
119 HB3 ASN 11 2HB ASN 11 42.895 15.979 -3.558
120 HD21 ASN 11 2HD2 ASN 11 42.449 16.096 -6.671
121 HD22 ASN 11 1HD2 ASN 11 42.753 14.460 -7.135
122 H CYS 12 H CYS 12 38.376 16.151 -3.213
123 HA CYS 12 HA CYS 12 38.832 18.904 -2.438
124 HB2 CYS 12 1HB CYS 12 36.333 19.051 -2.533
125 HB3 CYS 12 2HB CYS 12 37.079 18.515 -4.035
126 HA PRO 13 HA PRO 13 38.666 17.763 1.887
127 HB2 PRO 13 1HB PRO 13 39.168 20.262 2.820
128 HB3 PRO 13 2HB PRO 13 40.432 19.201 2.187
129 HG2 PRO 13 1HG PRO 13 38.998 21.454 0.835
130 HG3 PRO 13 2HG PRO 13 40.724 21.048 0.805
131 HD2 PRO 13 1HD PRO 13 39.042 20.410 -1.219
132 HD3 PRO 13 2HD PRO 13 40.439 19.403 -0.785
133 H TYR 14 H TYR 14 36.706 19.988 0.138
134 HA TYR 14 HA TYR 14 35.020 20.737 2.341
135 HB2 TYR 14 1HB TYR 14 34.608 21.015 -0.643
136 HB3 TYR 14 2HB TYR 14 33.587 21.744 0.591
137 HD1 TYR 14 HD2 TYR 14 35.113 23.077 2.440
138 HD2 TYR 14 HD1 TYR 14 36.085 22.456 -1.655
139 HE1 TYR 14 HE2 TYR 14 36.582 25.049 2.496
140 HE2 TYR 14 HE1 TYR 14 37.557 24.425 -1.611
141 HH TYR 14 HH TYR 14 37.507 26.702 0.852
142 H CYS 15 H CYS 15 34.967 18.319 -0.206
143 HA CYS 15 HA CYS 15 32.300 17.479 0.082
144 HB2 CYS 15 1HB CYS 15 34.641 15.742 -0.718
145 HB3 CYS 15 2HB CYS 15 32.947 15.508 -1.139
146 H LYS 16 H LYS 16 35.117 16.916 2.000
147 HA LYS 16 HA LYS 16 34.605 14.529 3.258
148 HB2 LYS 16 1HB LYS 16 35.904 17.072 4.121
149 HB3 LYS 16 2HB LYS 16 35.583 15.849 5.343
150 HG2 LYS 16 1HG LYS 16 37.848 15.678 4.438
151 HG3 LYS 16 2HG LYS 16 36.895 14.229 4.112
152 HD2 LYS 16 1HD LYS 16 36.604 14.810 1.843
153 HD3 LYS 16 2HD LYS 16 37.155 16.465 2.117
154 HE2 LYS 16 1HE LYS 16 39.395 15.776 2.397
155 HE3 LYS 16 2HE LYS 16 38.934 14.081 2.557
156 HZ1 LYS 16 3HZ LYS 16 39.756 15.318 0.268
157 HZ2 LYS 16 1HZ LYS 16 38.079 15.205 0.073
158 HZ3 LYS 16 2HZ LYS 16 38.992 13.812 0.365
159 H ARG 17 H ARG 17 33.171 17.688 3.922
160 HA ARG 17 HA ARG 17 31.749 16.938 6.241
161 HB2 ARG 17 1HB ARG 17 31.545 19.177 4.268
162 HB3 ARG 17 2HB ARG 17 30.240 18.936 5.422
163 HG2 ARG 17 1HG ARG 17 31.583 20.461 6.504
164 HG3 ARG 17 2HG ARG 17 32.132 18.930 7.189
165 HD2 ARG 17 1HD ARG 17 33.929 18.918 5.423
166 HD3 ARG 17 2HD ARG 17 33.452 20.571 5.037
167 HE ARG 17 HE ARG 17 33.910 20.547 7.748
168 HH11 ARG 17 1HH1 ARG 17 35.747 19.838 4.876
169 HH12 ARG 17 2HH1 ARG 17 37.263 20.302 5.574
170 HH21 ARG 17 1HH2 ARG 17 35.901 21.161 8.678
171 HH22 ARG 17 2HH2 ARG 17 37.350 21.053 7.737
172 H ALA 18 H ALA 18 30.661 17.267 2.862
173 HA ALA 18 HA ALA 18 28.043 16.379 3.244
174 HB1 ALA 18 1HB ALA 18 29.261 17.421 1.162
175 HB2 ALA 18 2HB ALA 18 29.453 15.728 0.704
176 HB3 ALA 18 3HB ALA 18 27.841 16.394 0.963
177 H ARG 19 H ARG 19 30.869 14.519 2.109
178 HA ARG 19 HA ARG 19 29.603 12.032 1.978
179 HB2 ARG 19 1HB ARG 19 31.775 11.075 1.834
180 HB3 ARG 19 2HB ARG 19 31.867 12.643 1.043
181 HG2 ARG 19 1HG ARG 19 32.881 13.596 3.054
182 HG3 ARG 19 2HG ARG 19 32.799 12.016 3.836
183 HD2 ARG 19 1HD ARG 19 34.259 12.513 1.250
184 HD3 ARG 19 2HD ARG 19 35.028 12.626 2.832
185 HE ARG 19 HE ARG 19 33.756 10.145 2.655
186 HH11 ARG 19 1HH1 ARG 19 36.413 11.864 1.205
187 HH12 ARG 19 2HH1 ARG 19 37.321 10.430 0.857
188 HH21 ARG 19 1HH2 ARG 19 34.942 8.250 2.202
189 HH22 ARG 19 2HH2 ARG 19 36.483 8.375 1.424
190 H ASP 20 H ASP 20 31.061 13.738 4.671
191 HA ASP 20 HA ASP 20 31.170 11.587 6.490
192 HB2 ASP 20 1HB ASP 20 32.426 13.500 7.064
193 HB3 ASP 20 2HB ASP 20 31.049 14.575 6.838
194 H LEU 21 H LEU 21 28.707 14.104 5.987
195 HA LEU 21 HA LEU 21 26.928 13.232 7.972
196 HB2 LEU 21 1HB LEU 21 26.785 15.425 6.913
197 HB3 LEU 21 2HB LEU 21 26.349 14.666 5.384
198 HG LEU 21 HG LEU 21 24.614 14.197 7.762
199 HD11 LEU 21 1HD1 LEU 21 24.149 16.346 8.043
200 HD12 LEU 21 2HD1 LEU 21 23.534 16.386 6.391
201 HD13 LEU 21 3HD1 LEU 21 25.217 16.801 6.715
202 HD21 LEU 21 3HD2 LEU 21 23.958 12.977 5.881
203 HD22 LEU 21 1HD2 LEU 21 24.291 14.315 4.782
204 HD23 LEU 21 2HD2 LEU 21 22.901 14.389 5.866
205 H LEU 22 H LEU 22 27.050 12.499 4.497
206 HA LEU 22 HA LEU 22 24.784 10.872 4.374
207 HB2 LEU 22 1HB LEU 22 27.285 11.088 2.758
208 HB3 LEU 22 2HB LEU 22 26.159 9.769 2.443
209 HG LEU 22 HG LEU 22 24.624 11.130 1.474
210 HD11 LEU 22 1HD1 LEU 22 25.606 13.342 3.267
211 HD12 LEU 22 2HD1 LEU 22 24.096 12.442 3.405
212 HD13 LEU 22 3HD1 LEU 22 24.349 13.535 2.044
213 HD21 LEU 22 3HD2 LEU 22 26.022 11.754 -0.144
214 HD22 LEU 22 1HD2 LEU 22 27.336 12.040 0.997
215 HD23 LEU 22 2HD2 LEU 22 26.144 13.304 0.691
216 H ASP 23 H ASP 23 28.194 9.844 4.611
217 HA ASP 23 HA ASP 23 27.718 7.128 4.977
218 HB2 ASP 23 1HB ASP 23 29.941 7.947 4.490
219 HB3 ASP 23 2HB ASP 23 29.985 8.844 6.005
220 H LYS 24 H LYS 24 27.771 9.759 7.312
221 HA LYS 24 HA LYS 24 27.690 8.175 9.647
222 HB2 LYS 24 1HB LYS 24 27.024 11.020 9.002
223 HB3 LYS 24 2HB LYS 24 26.558 10.364 10.566
224 HG2 LYS 24 1HG LYS 24 29.371 10.163 9.548
225 HG3 LYS 24 2HG LYS 24 28.787 11.589 10.408
226 HD2 LYS 24 1HD LYS 24 28.521 8.808 11.525
227 HD3 LYS 24 2HD LYS 24 29.951 9.805 11.800
228 HE2 LYS 24 1HE LYS 24 27.241 10.923 12.369
229 HE3 LYS 24 2HE LYS 24 27.979 9.810 13.519
230 HZ1 LYS 24 3HZ LYS 24 29.409 12.200 12.522
231 HZ2 LYS 24 1HZ LYS 24 29.753 11.264 13.890
232 HZ3 LYS 24 2HZ LYS 24 28.391 12.267 13.872
233 H LYS 25 H LYS 25 25.177 9.457 7.539
234 HA LYS 25 HA LYS 25 22.998 8.696 9.215
235 HB2 LYS 25 1HB LYS 25 23.367 10.011 6.670
236 HB3 LYS 25 2HB LYS 25 22.076 8.821 6.564
237 HG2 LYS 25 1HG LYS 25 21.154 10.960 7.150
238 HG3 LYS 25 2HG LYS 25 20.998 9.860 8.523
239 HD2 LYS 25 1HD LYS 25 23.288 10.914 9.236
240 HD3 LYS 25 2HD LYS 25 22.780 12.232 8.177
241 HE2 LYS 25 1HE LYS 25 21.842 12.967 10.112
242 HE3 LYS 25 2HE LYS 25 20.523 11.938 9.554
243 HZ1 LYS 25 3HZ LYS 25 21.055 10.293 11.067
244 HZ2 LYS 25 1HZ LYS 25 21.343 11.702 11.959
245 HZ3 LYS 25 2HZ LYS 25 22.639 10.845 11.291
246 H GLY 26 H GLY 26 24.819 7.136 6.662
247 HA2 GLY 26 1HA GLY 26 24.992 4.757 6.550
248 HA3 GLY 26 2HA GLY 26 23.394 4.639 7.271
249 H VAL 27 H VAL 27 24.555 6.508 4.478
250 HA VAL 27 HA VAL 27 22.678 4.984 2.793
251 HB VAL 27 HB VAL 27 22.534 7.230 1.474
252 HG11 VAL 27 1HG1 VAL 27 21.096 6.838 4.097
253 HG12 VAL 27 2HG1 VAL 27 20.562 7.877 2.774
254 HG13 VAL 27 3HG1 VAL 27 20.643 6.129 2.547
255 HG21 VAL 27 3HG2 VAL 27 22.645 9.212 2.915
256 HG22 VAL 27 1HG2 VAL 27 23.256 8.213 4.234
257 HG23 VAL 27 2HG2 VAL 27 24.216 8.425 2.770
258 H LYS 28 H LYS 28 23.163 5.419 0.390
259 HA LYS 28 HA LYS 28 26.071 5.182 0.015
260 HB2 LYS 28 1HB LYS 28 23.744 3.810 -1.156
261 HB3 LYS 28 2HB LYS 28 24.981 4.271 -2.318
262 HG2 LYS 28 1HG LYS 28 25.765 2.850 0.185
263 HG3 LYS 28 2HG LYS 28 25.073 1.945 -1.163
264 HD2 LYS 28 1HD LYS 28 27.300 3.855 -1.699
265 HD3 LYS 28 2HD LYS 28 27.672 2.297 -0.958
266 HE2 LYS 28 1HE LYS 28 27.632 1.387 -2.984
267 HE3 LYS 28 2HE LYS 28 25.909 1.747 -3.067
268 HZ1 LYS 28 3HZ LYS 28 27.661 2.674 -4.817
269 HZ2 LYS 28 1HZ LYS 28 27.720 3.937 -3.692
270 HZ3 LYS 28 2HZ LYS 28 26.249 3.511 -4.408
271 H TYR 29 H TYR 29 26.885 7.099 -0.560
272 HA TYR 29 HA TYR 29 25.361 8.869 -2.307
273 HB2 TYR 29 1HB TYR 29 27.061 10.539 -1.789
274 HB3 TYR 29 2HB TYR 29 26.455 9.811 -0.306
275 HD1 TYR 29 HD2 TYR 29 29.304 9.844 -2.667
276 HD2 TYR 29 HD1 TYR 29 27.908 8.668 1.176
277 HE1 TYR 29 HE2 TYR 29 31.608 9.294 -2.005
278 HE2 TYR 29 HE1 TYR 29 30.208 8.116 1.849
279 HH TYR 29 HH TYR 29 32.428 7.412 0.410
280 H THR 30 H THR 30 26.077 9.582 -4.308
281 HA THR 30 HA THR 30 28.095 7.857 -5.571
282 HB THR 30 HB THR 30 25.828 9.443 -6.787
283 HG1 THR 30 HG1 THR 30 24.921 7.586 -6.229
284 HG21 THR 30 3HG2 THR 30 27.972 7.801 -8.139
285 HG22 THR 30 1HG2 THR 30 27.731 9.541 -8.287
286 HG23 THR 30 2HG2 THR 30 26.527 8.426 -8.933
287 H ASP 31 H ASP 31 29.987 8.698 -6.136
288 HA ASP 31 HA ASP 31 30.331 11.599 -6.040
289 HB2 ASP 31 1HB ASP 31 32.697 11.169 -5.894
290 HB3 ASP 31 2HB ASP 31 31.873 10.103 -4.760
291 H ILE 32 H ILE 32 30.396 12.777 -7.827
292 HA ILE 32 HA ILE 32 30.897 11.414 -10.388
293 HB ILE 32 HB ILE 32 29.523 14.071 -9.998
294 HG12 ILE 32 1HG1 ILE 32 28.191 12.349 -8.917
295 HG13 ILE 32 2HG1 ILE 32 27.416 12.832 -10.422
296 HG21 ILE 32 1HG2 ILE 32 28.661 12.951 -12.355
297 HG22 ILE 32 2HG2 ILE 32 29.895 14.199 -12.196
298 HG23 ILE 32 3HG2 ILE 32 30.365 12.502 -12.301
299 HD11 ILE 32 3HD1 ILE 32 28.617 10.815 -11.449
300 HD12 ILE 32 1HD1 ILE 32 28.861 10.294 -9.782
301 HD13 ILE 32 2HD1 ILE 32 27.226 10.522 -10.405
302 H ASP 33 H ASP 33 32.838 11.751 -11.223
303 HA ASP 33 HA ASP 33 34.657 13.688 -10.292
304 HB2 ASP 33 1HB ASP 33 34.586 11.791 -12.599
305 HB3 ASP 33 2HB ASP 33 35.803 13.064 -12.592
306 H ALA 34 H ALA 34 35.347 15.631 -11.137
307 HA ALA 34 HA ALA 34 33.486 17.329 -12.283
308 HB1 ALA 34 1HB ALA 34 35.142 18.537 -11.315
309 HB2 ALA 34 2HB ALA 34 36.411 17.431 -11.841
310 HB3 ALA 34 3HB ALA 34 35.729 18.595 -12.977
311 H SER 35 H SER 35 35.547 15.014 -13.793
312 HA SER 35 HA SER 35 35.940 15.970 -16.327
313 HB2 SER 35 1HB SER 35 35.063 13.136 -15.743
314 HB3 SER 35 2HB SER 35 36.077 13.691 -17.074
315 HG SER 35 HG SER 35 36.928 12.799 -14.821
316 H THR 36 H THR 36 34.523 16.994 -17.574
317 HA THR 36 HA THR 36 31.763 16.874 -17.449
318 HB THR 36 HB THR 36 31.770 17.799 -19.775
319 HG1 THR 36 HG1 THR 36 33.914 18.265 -20.621
320 HG21 THR 36 3HG2 THR 36 33.381 18.929 -17.540
321 HG22 THR 36 1HG2 THR 36 31.881 19.515 -18.257
322 HG23 THR 36 2HG2 THR 36 33.412 19.757 -19.097
323 H SER 37 H SER 37 33.985 14.699 -18.975
324 HA SER 37 HA SER 37 32.489 13.495 -20.936
325 HB2 SER 37 1HB SER 37 34.869 12.951 -20.299
326 HB3 SER 37 2HB SER 37 34.223 11.971 -18.983
327 HG SER 37 HG SER 37 34.539 11.302 -21.537
328 H LEU 38 H LEU 38 32.171 13.189 -17.469
329 HA LEU 38 HA LEU 38 29.807 11.485 -17.891
330 HB2 LEU 38 1HB LEU 38 31.953 10.488 -16.768
331 HB3 LEU 38 2HB LEU 38 31.371 11.362 -15.353
332 HG LEU 38 HG LEU 38 29.269 10.085 -15.452
333 HD11 LEU 38 1HD1 LEU 38 29.878 7.904 -17.038
334 HD12 LEU 38 2HD1 LEU 38 30.358 9.290 -18.016
335 HD13 LEU 38 3HD1 LEU 38 28.709 9.173 -17.401
336 HD21 LEU 38 3HD2 LEU 38 30.940 9.244 -13.989
337 HD22 LEU 38 1HD2 LEU 38 31.841 8.526 -15.324
338 HD23 LEU 38 2HD2 LEU 38 30.276 7.859 -14.858
339 H ARG 39 H ARG 39 31.320 14.075 -16.083
340 HA ARG 39 HA ARG 39 29.223 14.540 -14.250
341 HB2 ARG 39 1HB ARG 39 31.078 15.651 -13.540
342 HB3 ARG 39 2HB ARG 39 31.626 15.996 -15.174
343 HG2 ARG 39 1HG ARG 39 31.084 18.051 -14.050
344 HG3 ARG 39 2HG ARG 39 29.921 17.765 -15.346
345 HD2 ARG 39 1HD ARG 39 28.574 16.599 -13.395
346 HD3 ARG 39 2HD ARG 39 29.550 17.675 -12.395
347 HE ARG 39 HE ARG 39 27.396 18.417 -14.158
348 HH11 ARG 39 1HH1 ARG 39 30.250 19.496 -12.483
349 HH12 ARG 39 2HH1 ARG 39 29.774 21.162 -12.475
350 HH21 ARG 39 1HH2 ARG 39 26.758 20.607 -14.155
351 HH22 ARG 39 2HH2 ARG 39 27.788 21.792 -13.426
352 H GLN 40 H GLN 40 29.911 15.819 -17.472
353 HA GLN 40 HA GLN 40 27.739 17.669 -17.471
354 HB2 GLN 40 1HB GLN 40 29.814 17.816 -18.906
355 HB3 GLN 40 2HB GLN 40 29.141 16.519 -19.884
356 HG2 GLN 40 1HG GLN 40 28.658 18.569 -20.972
357 HG3 GLN 40 2HG GLN 40 27.150 17.959 -20.292
358 HE21 GLN 40 2HE2 GLN 40 26.762 20.360 -20.784
359 HE22 GLN 40 1HE2 GLN 40 27.010 21.442 -19.461
360 H GLU 41 H GLU 41 28.227 14.426 -18.818
361 HA GLU 41 HA GLU 41 25.702 14.249 -20.082
362 HB2 GLU 41 1HB GLU 41 27.211 11.864 -19.050
363 HB3 GLU 41 2HB GLU 41 26.215 11.995 -20.493
364 HG2 GLU 41 1HG GLU 41 28.963 13.117 -20.043
365 HG3 GLU 41 2HG GLU 41 28.469 11.882 -21.200
366 H MET 42 H MET 42 26.872 13.253 -16.895
367 HA MET 42 HA MET 42 24.477 11.975 -16.084
368 HB2 MET 42 1HB MET 42 26.775 11.700 -15.052
369 HB3 MET 42 2HB MET 42 26.518 13.251 -14.263
370 HG2 MET 42 1HG MET 42 25.751 11.966 -12.594
371 HG3 MET 42 2HG MET 42 24.263 11.994 -13.538
372 HE1 MET 42 3HE MET 42 27.488 8.845 -13.850
373 HE2 MET 42 1HE MET 42 27.607 10.476 -13.190
374 HE3 MET 42 2HE MET 42 27.050 9.151 -12.168
375 H VAL 43 H VAL 43 25.812 15.192 -15.325
376 HA VAL 43 HA VAL 43 23.629 16.096 -13.811
377 HB VAL 43 HB VAL 43 25.939 17.154 -13.988
378 HG11 VAL 43 1HG1 VAL 43 24.682 18.494 -16.381
379 HG12 VAL 43 2HG1 VAL 43 26.256 18.867 -15.675
380 HG13 VAL 43 3HG1 VAL 43 25.982 17.304 -16.445
381 HG21 VAL 43 3HG2 VAL 43 23.807 19.224 -14.310
382 HG22 VAL 43 1HG2 VAL 43 23.753 18.108 -12.946
383 HG23 VAL 43 2HG2 VAL 43 25.147 19.165 -13.166
384 H GLN 44 H GLN 44 24.176 15.965 -17.254
385 HA GLN 44 HA GLN 44 22.084 17.761 -17.980
386 HB2 GLN 44 1HB GLN 44 23.831 15.821 -19.419
387 HB3 GLN 44 2HB GLN 44 22.367 16.371 -20.223
388 HG2 GLN 44 1HG GLN 44 23.797 18.594 -19.091
389 HG3 GLN 44 2HG GLN 44 24.843 17.645 -20.147
390 HE21 GLN 44 2HE2 GLN 44 24.923 19.309 -21.663
391 HE22 GLN 44 1HE2 GLN 44 23.588 19.670 -22.697
392 H ARG 45 H ARG 45 22.353 14.217 -17.903
393 HA ARG 45 HA ARG 45 19.597 13.847 -18.631
394 HB2 ARG 45 1HB ARG 45 21.567 12.255 -19.092
395 HB3 ARG 45 2HB ARG 45 21.378 11.746 -17.419
396 HG2 ARG 45 1HG ARG 45 19.239 10.864 -17.814
397 HG3 ARG 45 2HG ARG 45 19.096 11.695 -19.364
398 HD2 ARG 45 1HD ARG 45 20.475 10.203 -20.444
399 HD3 ARG 45 2HD ARG 45 21.314 9.745 -18.963
400 HE ARG 45 HE ARG 45 18.819 8.810 -18.550
401 HH11 ARG 45 1HH1 ARG 45 21.070 8.478 -21.185
402 HH12 ARG 45 2HH1 ARG 45 20.499 6.909 -21.647
403 HH21 ARG 45 1HH2 ARG 45 18.059 6.744 -19.148
404 HH22 ARG 45 2HH2 ARG 45 18.785 5.924 -20.488
405 H ALA 46 H ALA 46 21.162 14.672 -15.790
406 HA ALA 46 HA ALA 46 19.169 13.397 -14.063
407 HB1 ALA 46 1HB ALA 46 20.575 14.126 -12.205
408 HB2 ALA 46 2HB ALA 46 21.507 13.205 -13.387
409 HB3 ALA 46 3HB ALA 46 21.642 14.962 -13.333
410 H ASN 47 H ASN 47 20.382 16.586 -14.994
411 HA ASN 47 HA ASN 47 18.081 17.802 -13.618
412 HB2 ASN 47 1HB ASN 47 19.778 18.993 -12.684
413 HB3 ASN 47 2HB ASN 47 20.883 18.658 -14.014
414 HD21 ASN 47 2HD2 ASN 47 21.334 20.265 -15.339
415 HD22 ASN 47 1HD2 ASN 47 20.428 21.726 -15.504
416 H GLY 48 H GLY 48 20.013 17.923 -16.594
417 HA2 GLY 48 1HA GLY 48 18.453 17.879 -18.617
418 HA3 GLY 48 2HA GLY 48 17.779 19.336 -17.902
419 H ARG 49 H ARG 49 20.229 20.479 -17.015
420 HA ARG 49 HA ARG 49 22.166 20.660 -19.045
421 HB2 ARG 49 1HB ARG 49 20.370 21.673 -20.354
422 HB3 ARG 49 2HB ARG 49 20.075 22.843 -19.075
423 HG2 ARG 49 1HG ARG 49 22.513 23.553 -19.433
424 HG3 ARG 49 2HG ARG 49 22.401 22.658 -20.950
425 HD2 ARG 49 1HD ARG 49 20.088 24.265 -20.759
426 HD3 ARG 49 2HD ARG 49 21.460 25.285 -20.330
427 HE ARG 49 HE ARG 49 22.182 25.179 -22.504
428 HH11 ARG 49 1HH1 ARG 49 19.752 22.743 -21.973
429 HH12 ARG 49 2HH1 ARG 49 19.617 22.326 -23.649
430 HH21 ARG 49 1HH2 ARG 49 22.014 24.639 -24.713
431 HH22 ARG 49 2HH2 ARG 49 20.905 23.405 -25.207
432 H ASN 50 H ASN 50 23.773 20.914 -17.618
433 HA ASN 50 HA ASN 50 23.924 23.400 -16.139
434 HB2 ASN 50 1HB ASN 50 23.046 21.055 -14.835
435 HB3 ASN 50 2HB ASN 50 24.710 21.312 -14.320
436 HD21 ASN 50 2HD2 ASN 50 24.213 21.898 -12.250
437 HD22 ASN 50 1HD2 ASN 50 23.408 23.373 -11.850
438 H THR 51 H THR 51 26.057 23.868 -15.365
439 HA THR 51 HA THR 51 28.200 22.072 -16.194
440 HB THR 51 HB THR 51 27.784 23.495 -18.171
441 HG1 THR 51 HG1 THR 51 29.892 23.631 -18.489
442 HG21 THR 51 3HG2 THR 51 26.941 25.475 -16.945
443 HG22 THR 51 1HG2 THR 51 28.212 25.879 -18.098
444 HG23 THR 51 2HG2 THR 51 28.580 25.790 -16.375
445 H PHE 52 H PHE 52 26.985 23.463 -13.732
446 HA PHE 52 HA PHE 52 29.507 24.601 -12.717
447 HB2 PHE 52 1HB PHE 52 26.652 25.358 -12.241
448 HB3 PHE 52 2HB PHE 52 27.832 25.630 -10.963
449 HD1 PHE 52 HD2 PHE 52 27.065 26.399 -14.503
450 HD2 PHE 52 HD1 PHE 52 29.257 27.481 -11.019
451 HE1 PHE 52 HE2 PHE 52 27.746 28.500 -15.588
452 HE2 PHE 52 HE1 PHE 52 29.941 29.584 -12.097
453 HZ PHE 52 HZ PHE 52 29.186 30.095 -14.385
454 HA PRO 53 HA PRO 53 29.693 21.343 -9.774
455 HB2 PRO 53 1HB PRO 53 31.072 22.579 -7.789
456 HB3 PRO 53 2HB PRO 53 31.821 22.073 -9.308
457 HG2 PRO 53 1HG PRO 53 30.852 24.783 -8.483
458 HG3 PRO 53 2HG PRO 53 32.344 24.339 -9.332
459 HD2 PRO 53 1HD PRO 53 30.174 25.325 -10.618
460 HD3 PRO 53 2HD PRO 53 31.280 24.156 -11.369
461 H GLN 54 H GLN 54 28.524 20.556 -8.092
462 HA GLN 54 HA GLN 54 27.523 22.021 -5.932
463 HB2 GLN 54 1HB GLN 54 25.041 21.839 -6.656
464 HB3 GLN 54 2HB GLN 54 26.000 23.190 -7.245
465 HG2 GLN 54 1HG GLN 54 24.555 22.136 -8.963
466 HG3 GLN 54 2HG GLN 54 26.268 22.169 -9.379
467 HE21 GLN 54 2HE2 GLN 54 24.125 20.033 -7.517
468 HE22 GLN 54 1HE2 GLN 54 24.633 18.572 -8.286
469 H ILE 55 H ILE 55 25.498 20.758 -4.960
470 HA ILE 55 HA ILE 55 26.200 17.905 -5.134
471 HB ILE 55 HB ILE 55 24.960 19.441 -2.849
472 HG12 ILE 55 1HG1 ILE 55 27.501 17.956 -2.540
473 HG13 ILE 55 2HG1 ILE 55 27.573 19.394 -3.552
474 HG21 ILE 55 1HG2 ILE 55 25.453 17.188 -1.664
475 HG22 ILE 55 2HG2 ILE 55 23.996 17.348 -2.644
476 HG23 ILE 55 3HG2 ILE 55 25.410 16.519 -3.295
477 HD11 ILE 55 3HD1 ILE 55 27.462 19.165 -0.688
478 HD12 ILE 55 1HD1 ILE 55 27.829 20.566 -1.695
479 HD13 ILE 55 2HD1 ILE 55 26.154 20.180 -1.296
480 H PHE 56 H PHE 56 24.746 16.541 -5.926
481 HA PHE 56 HA PHE 56 22.030 17.497 -6.410
482 HB2 PHE 56 1HB PHE 56 23.808 15.982 -7.926
483 HB3 PHE 56 2HB PHE 56 22.610 14.816 -7.375
484 HD1 PHE 56 HD2 PHE 56 22.802 18.226 -8.872
485 HD2 PHE 56 HD1 PHE 56 20.708 14.528 -8.629
486 HE1 PHE 56 HE2 PHE 56 21.261 18.988 -10.631
487 HE2 PHE 56 HE1 PHE 56 19.163 15.284 -10.389
488 HZ PHE 56 HZ PHE 56 19.438 17.517 -11.392
489 H ILE 57 H ILE 57 20.246 16.669 -5.463
490 HA ILE 57 HA ILE 57 20.456 14.231 -3.870
491 HB ILE 57 HB ILE 57 19.177 15.417 -2.004
492 HG12 ILE 57 1HG1 ILE 57 20.509 17.896 -3.065
493 HG13 ILE 57 2HG1 ILE 57 18.863 17.483 -3.534
494 HG21 ILE 57 1HG2 ILE 57 21.338 14.700 -1.496
495 HG22 ILE 57 2HG2 ILE 57 22.080 15.852 -2.605
496 HG23 ILE 57 3HG2 ILE 57 21.361 16.418 -1.098
497 HD11 ILE 57 3HD1 ILE 57 19.899 18.548 -1.015
498 HD12 ILE 57 1HD1 ILE 57 18.304 18.705 -1.750
499 HD13 ILE 57 2HD1 ILE 57 18.716 17.252 -0.839
500 H GLY 58 H GLY 58 18.776 12.969 -4.303
501 HA2 GLY 58 1HA GLY 58 16.751 12.285 -5.160
502 HA3 GLY 58 2HA GLY 58 16.109 13.576 -4.155
503 H ASP 59 H ASP 59 18.162 13.793 -7.037
504 HA ASP 59 HA ASP 59 17.839 14.770 -9.068
505 HB2 ASP 59 1HB ASP 59 14.869 14.710 -8.561
506 HB3 ASP 59 2HB ASP 59 15.716 14.648 -10.104
507 H TYR 60 H TYR 60 18.181 16.356 -6.699
508 HA TYR 60 HA TYR 60 17.100 18.875 -7.713
509 HB2 TYR 60 1HB TYR 60 15.504 18.383 -6.021
510 HB3 TYR 60 2HB TYR 60 16.750 17.847 -4.899
511 HD1 TYR 60 HD2 TYR 60 15.160 20.777 -6.450
512 HD2 TYR 60 HD1 TYR 60 18.001 19.427 -3.585
513 HE1 TYR 60 HE2 TYR 60 15.255 23.038 -5.487
514 HE2 TYR 60 HE1 TYR 60 18.103 21.684 -2.613
515 HH TYR 60 HH TYR 60 15.870 24.009 -3.128
516 H HIS 61 H HIS 61 18.840 20.054 -8.129
517 HA HIS 61 HA HIS 61 21.371 19.614 -6.920
518 HB2 HIS 61 1HB HIS 61 21.973 21.779 -8.108
519 HB3 HIS 61 2HB HIS 61 21.378 20.476 -9.132
520 HD1 HIS 61 HD1 HIS 61 19.035 20.786 -10.204
521 HD2 HIS 61 HD2 HIS 61 20.347 24.041 -7.981
522 HE1 HIS 61 HE1 HIS 61 17.495 22.679 -10.810
523 H VAL 62 H VAL 62 22.473 20.774 -5.378
524 HA VAL 62 HA VAL 62 20.831 22.615 -3.769
525 HB VAL 62 HB VAL 62 23.180 20.909 -2.935
526 HG11 VAL 62 1HG1 VAL 62 22.220 21.756 -0.613
527 HG12 VAL 62 2HG1 VAL 62 23.445 22.663 -1.502
528 HG13 VAL 62 3HG1 VAL 62 21.750 23.141 -1.597
529 HG21 VAL 62 3HG2 VAL 62 20.824 19.902 -3.338
530 HG22 VAL 62 1HG2 VAL 62 21.683 19.513 -1.848
531 HG23 VAL 62 2HG2 VAL 62 20.402 20.725 -1.837
532 H GLY 63 H GLY 63 24.335 22.049 -4.129
533 HA2 GLY 63 1HA GLY 63 25.310 24.084 -5.487
534 HA3 GLY 63 2HA GLY 63 24.751 24.944 -4.060
535 H GLY 64 H GLY 64 26.556 25.522 -3.012
536 HA2 GLY 64 1HA GLY 64 28.997 24.174 -3.022
537 HA3 GLY 64 2HA GLY 64 28.490 25.324 -1.793
538 H CYS 65 H CYS 65 30.011 23.564 -0.739
539 HA CYS 65 HA CYS 65 28.722 21.112 -0.002
540 HB2 CYS 65 1HB CYS 65 31.295 22.465 0.669
541 HB3 CYS 65 2HB CYS 65 30.711 21.211 1.756
542 HG CYS 65 HG CYS 65 31.545 20.867 -1.539
543 H ASP 66 H ASP 66 29.691 24.000 1.855
544 HA ASP 66 HA ASP 66 28.489 23.317 4.263
545 HB2 ASP 66 1HB ASP 66 29.046 26.002 3.006
546 HB3 ASP 66 2HB ASP 66 28.382 25.842 4.630
547 H ASP 67 H ASP 67 27.071 24.453 1.318
548 HA ASP 67 HA ASP 67 24.697 25.580 2.174
549 HB2 ASP 67 1HB ASP 67 25.619 24.215 -0.274
550 HB3 ASP 67 2HB ASP 67 23.874 24.227 -0.039
551 H LEU 68 H LEU 68 25.253 22.149 1.375
552 HA LEU 68 HA LEU 68 22.754 21.172 2.059
553 HB2 LEU 68 1HB LEU 68 23.694 19.042 2.050
554 HB3 LEU 68 2HB LEU 68 24.717 19.975 0.959
555 HG LEU 68 HG LEU 68 26.159 20.267 3.169
556 HD11 LEU 68 1HD1 LEU 68 25.173 19.114 4.837
557 HD12 LEU 68 2HD1 LEU 68 26.015 17.752 4.098
558 HD13 LEU 68 3HD1 LEU 68 24.313 18.039 3.735
559 HD21 LEU 68 3HD2 LEU 68 26.739 17.640 2.191
560 HD22 LEU 68 1HD2 LEU 68 27.598 19.153 1.901
561 HD23 LEU 68 2HD2 LEU 68 26.264 18.681 0.848
562 H TYR 69 H TYR 69 25.531 21.856 4.114
563 HA TYR 69 HA TYR 69 24.477 20.675 6.469
564 HB2 TYR 69 1HB TYR 69 26.853 22.082 5.700
565 HB3 TYR 69 2HB TYR 69 26.226 22.785 7.188
566 HD1 TYR 69 HD1 TYR 69 26.963 19.447 5.678
567 HD2 TYR 69 HD2 TYR 69 26.830 21.825 9.204
568 HE1 TYR 69 HE1 TYR 69 27.945 17.591 6.960
569 HE2 TYR 69 HE2 TYR 69 27.813 19.977 10.495
570 HH TYR 69 HH TYR 69 29.003 17.991 10.253
571 H ALA 70 H ALA 70 24.695 24.072 5.414
572 HA ALA 70 HA ALA 70 23.365 25.232 7.563
573 HB1 ALA 70 1HB ALA 70 24.506 26.161 5.270
574 HB2 ALA 70 2HB ALA 70 22.797 26.484 4.978
575 HB3 ALA 70 3HB ALA 70 23.587 27.141 6.412
576 H LEU 71 H LEU 71 22.005 24.209 4.429
577 HA LEU 71 HA LEU 71 19.343 24.845 4.977
578 HB2 LEU 71 1HB LEU 71 20.495 22.688 3.216
579 HB3 LEU 71 2HB LEU 71 18.800 23.169 3.218
580 HG LEU 71 HG LEU 71 20.977 25.146 2.623
581 HD11 LEU 71 1HD1 LEU 71 20.142 24.573 0.174
582 HD12 LEU 71 2HD1 LEU 71 19.913 22.981 0.897
583 HD13 LEU 71 3HD1 LEU 71 21.506 23.738 0.918
584 HD21 LEU 71 3HD2 LEU 71 18.160 25.249 2.859
585 HD22 LEU 71 1HD2 LEU 71 18.559 25.478 1.156
586 HD23 LEU 71 2HD2 LEU 71 19.267 26.536 2.378
587 H GLU 72 H GLU 72 21.100 21.794 5.454
588 HA GLU 72 HA GLU 72 18.987 20.238 6.373
589 HB2 GLU 72 1HB GLU 72 21.043 19.160 5.874
590 HB3 GLU 72 2HB GLU 72 21.934 20.176 6.998
591 HG2 GLU 72 1HG GLU 72 19.770 18.411 8.032
592 HG3 GLU 72 2HG GLU 72 21.333 17.714 7.613
593 H ASN 73 H ASN 73 21.072 22.489 8.116
594 HA ASN 73 HA ASN 73 19.876 21.882 10.669
595 HB2 ASN 73 1HB ASN 73 22.252 22.592 10.442
596 HB3 ASN 73 2HB ASN 73 21.697 24.178 9.913
597 HD21 ASN 73 2HD2 ASN 73 21.835 21.937 12.589
598 HD22 ASN 73 1HD2 ASN 73 21.548 23.102 13.832
599 H LYS 74 H LYS 74 19.225 23.984 8.043
600 HA LYS 74 HA LYS 74 17.752 25.939 9.561
601 HB2 LYS 74 1HB LYS 74 18.595 25.572 6.794
602 HB3 LYS 74 2HB LYS 74 16.951 26.183 6.916
603 HG2 LYS 74 1HG LYS 74 18.610 27.978 6.733
604 HG3 LYS 74 2HG LYS 74 17.703 28.055 8.245
605 HD2 LYS 74 1HD LYS 74 19.603 27.987 9.394
606 HD3 LYS 74 2HD LYS 74 19.997 26.428 8.667
607 HE2 LYS 74 1HE LYS 74 21.808 27.697 8.029
608 HE3 LYS 74 2HE LYS 74 20.744 27.888 6.637
609 HZ1 LYS 74 3HZ LYS 74 20.646 29.827 8.853
610 HZ2 LYS 74 1HZ LYS 74 20.210 30.037 7.232
611 HZ3 LYS 74 2HZ LYS 74 21.843 29.958 7.665
612 H GLY 75 H GLY 75 17.098 22.888 8.101
613 HA2 GLY 75 1HA GLY 75 14.919 22.015 9.164
614 HA3 GLY 75 2HA GLY 75 14.197 23.353 8.283
615 H LYS 76 H LYS 76 16.623 22.444 6.350
616 HA LYS 76 HA LYS 76 14.864 21.035 4.560
617 HB2 LYS 76 1HB LYS 76 17.226 22.581 4.323
618 HB3 LYS 76 2HB LYS 76 17.591 20.988 3.675
619 HG2 LYS 76 1HG LYS 76 16.833 22.343 1.880
620 HG3 LYS 76 2HG LYS 76 15.552 21.185 2.248
621 HD2 LYS 76 1HD LYS 76 14.151 22.792 3.075
622 HD3 LYS 76 2HD LYS 76 15.476 23.828 3.608
623 HE2 LYS 76 1HE LYS 76 14.588 25.002 1.815
624 HE3 LYS 76 2HE LYS 76 15.940 24.137 1.086
625 HZ1 LYS 76 3HZ LYS 76 13.754 22.454 0.905
626 HZ2 LYS 76 1HZ LYS 76 14.504 23.298 -0.355
627 HZ3 LYS 76 2HZ LYS 76 13.187 23.983 0.456
628 H LEU 77 H LEU 77 16.552 20.030 7.164
629 HA LEU 77 HA LEU 77 18.033 17.826 6.469
630 HB2 LEU 77 1HB LEU 77 17.921 18.545 8.741
631 HB3 LEU 77 2HB LEU 77 16.186 18.241 8.808
632 HG LEU 77 HG LEU 77 17.138 15.759 8.233
633 HD11 LEU 77 1HD1 LEU 77 19.452 16.382 8.406
634 HD12 LEU 77 2HD1 LEU 77 19.024 15.379 9.792
635 HD13 LEU 77 3HD1 LEU 77 19.176 17.126 9.981
636 HD21 LEU 77 3HD2 LEU 77 16.987 15.482 10.813
637 HD22 LEU 77 1HD2 LEU 77 15.549 15.936 9.898
638 HD23 LEU 77 2HD2 LEU 77 16.456 17.164 10.781
639 H ASP 78 H ASP 78 14.519 17.982 6.960
640 HA ASP 78 HA ASP 78 13.891 15.312 6.600
641 HB2 ASP 78 1HB ASP 78 12.382 17.833 5.939
642 HB3 ASP 78 2HB ASP 78 11.685 16.241 5.652
643 H SER 79 H SER 79 14.333 17.834 4.152
644 HA SER 79 HA SER 79 13.705 16.132 1.950
645 HB2 SER 79 1HB SER 79 13.405 18.465 1.599
646 HB3 SER 79 2HB SER 79 15.038 18.833 2.155
647 HG SER 79 HG SER 79 14.578 17.208 -0.107
648 H LEU 80 H LEU 80 16.773 17.467 3.176
649 HA LEU 80 HA LEU 80 18.503 16.237 1.403
650 HB2 LEU 80 1HB LEU 80 18.736 17.227 4.195
651 HB3 LEU 80 2HB LEU 80 20.048 16.238 3.556
652 HG LEU 80 HG LEU 80 20.313 18.762 3.407
653 HD11 LEU 80 1HD1 LEU 80 21.909 17.964 2.075
654 HD12 LEU 80 2HD1 LEU 80 20.813 18.308 0.737
655 HD13 LEU 80 3HD1 LEU 80 20.862 16.692 1.443
656 HD21 LEU 80 3HD2 LEU 80 18.598 18.581 0.966
657 HD22 LEU 80 1HD2 LEU 80 19.111 20.002 1.876
658 HD23 LEU 80 2HD2 LEU 80 17.869 18.936 2.533
659 H LEU 81 H LEU 81 17.473 15.034 4.596
660 HA LEU 81 HA LEU 81 18.820 12.579 4.459
661 HB2 LEU 81 1HB LEU 81 16.307 13.335 5.940
662 HB3 LEU 81 2HB LEU 81 17.207 11.842 6.198
663 HG LEU 81 HG LEU 81 18.052 14.655 6.852
664 HD11 LEU 81 1HD1 LEU 81 17.409 12.184 8.414
665 HD12 LEU 81 2HD1 LEU 81 16.794 13.824 8.617
666 HD13 LEU 81 3HD1 LEU 81 18.450 13.438 9.088
667 HD21 LEU 81 3HD2 LEU 81 20.123 14.008 6.280
668 HD22 LEU 81 1HD2 LEU 81 19.685 12.300 6.234
669 HD23 LEU 81 2HD2 LEU 81 20.062 13.072 7.774
670 H GLN 82 H GLN 82 15.418 13.355 3.742
671 HA GLN 82 HA GLN 82 14.641 10.794 2.935
672 HB2 GLN 82 1HB GLN 82 13.023 12.551 3.410
673 HB3 GLN 82 2HB GLN 82 13.599 13.485 2.036
674 HG2 GLN 82 1HG GLN 82 12.877 11.631 0.549
675 HG3 GLN 82 2HG GLN 82 12.173 10.838 1.958
676 HE21 GLN 82 2HE2 GLN 82 12.217 14.187 0.782
677 HE22 GLN 82 1HE2 GLN 82 10.503 14.399 0.810
678 H ASP 83 H ASP 83 16.565 13.162 1.348
679 HA ASP 83 HA ASP 83 16.168 12.095 -1.307
680 HB2 ASP 83 1HB ASP 83 17.983 14.202 -0.150
681 HB3 ASP 83 2HB ASP 83 18.147 13.656 -1.817
682 H VAL 84 H VAL 84 18.881 12.217 1.001
683 HA VAL 84 HA VAL 84 20.599 10.562 -0.512
684 HB VAL 84 HB VAL 84 21.965 10.389 1.471
685 HG11 VAL 84 1HG1 VAL 84 21.268 13.102 2.048
686 HG12 VAL 84 2HG1 VAL 84 22.641 12.476 1.132
687 HG13 VAL 84 3HG1 VAL 84 21.113 12.811 0.316
688 HG21 VAL 84 3HG2 VAL 84 21.211 11.258 3.638
689 HG22 VAL 84 1HG2 VAL 84 19.613 11.556 2.956
690 HG23 VAL 84 2HG2 VAL 84 20.218 9.906 3.097
691 H HIS 85 H HIS 85 17.935 9.876 1.563
692 HA HIS 85 HA HIS 85 18.691 7.146 2.099
693 HB2 HIS 85 1HB HIS 85 17.275 8.550 3.639
694 HB3 HIS 85 2HB HIS 85 15.975 8.422 2.459
695 HD1 HIS 85 HD1 HIS 85 14.359 6.664 3.051
696 HD2 HIS 85 HD2 HIS 85 18.194 5.711 4.333
697 HE1 HIS 85 HE1 HIS 85 14.147 4.444 4.214
Start of MODEL 20
1 H1 GLY -3 H GLY -3 6.736 -3.619 -13.998
2 HA2 GLY -3 1HA GLY -3 6.389 -1.202 -13.548
3 HA3 GLY -3 2HA GLY -3 6.504 -2.123 -12.055
4 HA PRO -2 HA PRO -2 10.823 -0.029 -12.692
5 HB2 PRO -2 1HB PRO -2 10.982 1.830 -14.665
6 HB3 PRO -2 2HB PRO -2 11.343 0.119 -14.926
7 HG2 PRO -2 1HG PRO -2 8.841 1.643 -15.542
8 HG3 PRO -2 2HG PRO -2 9.684 0.432 -16.525
9 HD2 PRO -2 1HD PRO -2 7.482 -0.156 -15.064
10 HD3 PRO -2 2HD PRO -2 8.778 -1.334 -15.354
11 H GLY -1 H GLY -1 11.443 1.732 -11.502
12 HA2 GLY -1 1HA GLY -1 9.688 4.074 -11.417
13 HA3 GLY -1 2HA GLY -1 9.922 3.181 -9.922
14 H SER 0 H SER 0 10.670 5.485 -9.399
15 HA SER 0 HA SER 0 13.541 5.727 -10.018
16 HB2 SER 0 1HB SER 0 11.619 7.940 -9.256
17 HB3 SER 0 2HB SER 0 13.323 8.136 -9.668
18 HG SER 0 HG SER 0 11.518 6.922 -11.463
19 H MET 1 H MET 1 14.909 5.498 -8.378
20 HA MET 1 HA MET 1 13.825 5.457 -5.654
21 HB2 MET 1 1HB MET 1 15.241 3.548 -6.775
22 HB3 MET 1 2HB MET 1 16.602 4.570 -6.332
23 HG2 MET 1 1HG MET 1 15.753 4.542 -3.984
24 HG3 MET 1 2HG MET 1 14.563 3.347 -4.494
25 HE1 MET 1 3HE MET 1 15.728 2.319 -2.296
26 HE2 MET 1 1HE MET 1 17.207 1.360 -2.360
27 HE3 MET 1 2HE MET 1 17.300 3.116 -2.221
28 H LYS 2 H LYS 2 14.364 6.947 -4.182
29 HA LYS 2 HA LYS 2 15.735 9.300 -4.932
30 HB2 LYS 2 1HB LYS 2 15.539 9.907 -2.528
31 HB3 LYS 2 2HB LYS 2 14.017 9.390 -3.243
32 HG2 LYS 2 1HG LYS 2 14.860 7.042 -2.280
33 HG3 LYS 2 2HG LYS 2 15.650 8.128 -1.135
34 HD2 LYS 2 1HD LYS 2 13.608 7.762 -0.116
35 HD3 LYS 2 2HD LYS 2 13.307 9.257 -1.005
36 HE2 LYS 2 1HE LYS 2 11.440 7.917 -1.455
37 HE3 LYS 2 2HE LYS 2 12.454 7.759 -2.888
38 HZ1 LYS 2 3HZ LYS 2 11.510 5.636 -2.027
39 HZ2 LYS 2 1HZ LYS 2 12.479 5.812 -0.652
40 HZ3 LYS 2 2HZ LYS 2 13.195 5.639 -2.174
41 H GLU 3 H GLU 3 17.850 9.481 -5.233
42 HA GLU 3 HA GLU 3 19.658 8.228 -3.288
43 HB2 GLU 3 1HB GLU 3 20.277 6.765 -4.877
44 HB3 GLU 3 2HB GLU 3 19.477 7.677 -6.149
45 HG2 GLU 3 1HG GLU 3 21.359 9.062 -6.474
46 HG3 GLU 3 2HG GLU 3 22.125 8.490 -4.994
47 H ILE 4 H ILE 4 21.521 9.372 -2.826
48 HA ILE 4 HA ILE 4 21.492 12.163 -3.701
49 HB ILE 4 HB ILE 4 21.567 11.586 -1.254
50 HG12 ILE 4 1HG1 ILE 4 22.542 13.711 -2.502
51 HG13 ILE 4 2HG1 ILE 4 22.757 13.493 -0.769
52 HG21 ILE 4 1HG2 ILE 4 23.043 9.680 -1.333
53 HG22 ILE 4 2HG2 ILE 4 24.350 10.678 -1.970
54 HG23 ILE 4 3HG2 ILE 4 23.765 10.936 -0.327
55 HD11 ILE 4 3HD1 ILE 4 24.767 14.185 -2.241
56 HD12 ILE 4 1HD1 ILE 4 24.989 12.974 -0.980
57 HD13 ILE 4 2HD1 ILE 4 24.822 12.474 -2.663
58 H ILE 5 H ILE 5 23.137 13.119 -4.795
59 HA ILE 5 HA ILE 5 25.523 11.509 -5.386
60 HB ILE 5 HB ILE 5 24.262 13.206 -7.515
61 HG12 ILE 5 1HG1 ILE 5 23.671 10.304 -6.905
62 HG13 ILE 5 2HG1 ILE 5 22.525 11.639 -6.895
63 HG21 ILE 5 1HG2 ILE 5 25.552 11.787 -9.004
64 HG22 ILE 5 2HG2 ILE 5 26.597 12.495 -7.773
65 HG23 ILE 5 3HG2 ILE 5 26.090 10.811 -7.637
66 HD11 ILE 5 3HD1 ILE 5 23.801 10.265 -9.217
67 HD12 ILE 5 1HD1 ILE 5 22.096 10.584 -8.903
68 HD13 ILE 5 2HD1 ILE 5 23.167 11.903 -9.376
69 H LEU 6 H LEU 6 27.408 12.696 -5.881
70 HA LEU 6 HA LEU 6 27.260 15.581 -5.317
71 HB2 LEU 6 1HB LEU 6 29.689 15.013 -4.352
72 HB3 LEU 6 2HB LEU 6 28.231 15.033 -3.362
73 HG LEU 6 HG LEU 6 28.914 12.443 -4.603
74 HD11 LEU 6 1HD1 LEU 6 30.658 13.797 -2.575
75 HD12 LEU 6 2HD1 LEU 6 31.124 12.932 -4.039
76 HD13 LEU 6 3HD1 LEU 6 30.514 12.040 -2.645
77 HD21 LEU 6 3HD2 LEU 6 28.516 12.149 -1.890
78 HD22 LEU 6 1HD2 LEU 6 27.293 11.969 -3.148
79 HD23 LEU 6 2HD2 LEU 6 27.478 13.512 -2.313
80 H TYR 7 H TYR 7 27.888 16.646 -7.065
81 HA TYR 7 HA TYR 7 29.759 15.400 -8.931
82 HB2 TYR 7 1HB TYR 7 28.029 17.869 -9.156
83 HB3 TYR 7 2HB TYR 7 29.138 17.329 -10.411
84 HD1 TYR 7 HD2 TYR 7 28.687 15.257 -11.659
85 HD2 TYR 7 HD1 TYR 7 25.933 16.753 -8.782
86 HE1 TYR 7 HE2 TYR 7 26.938 13.794 -12.581
87 HE2 TYR 7 HE1 TYR 7 24.177 15.293 -9.695
88 HH TYR 7 HH TYR 7 24.264 13.910 -12.604
89 H THR 8 H THR 8 31.841 15.736 -8.533
90 HA THR 8 HA THR 8 33.023 18.273 -8.606
91 HB THR 8 HB THR 8 33.912 17.734 -6.037
92 HG1 THR 8 HG1 THR 8 32.261 17.053 -4.874
93 HG21 THR 8 3HG2 THR 8 33.311 19.885 -5.673
94 HG22 THR 8 1HG2 THR 8 31.670 19.638 -6.271
95 HG23 THR 8 2HG2 THR 8 32.998 19.874 -7.408
96 H ARG 9 H ARG 9 35.392 18.072 -7.546
97 HA ARG 9 HA ARG 9 36.541 15.741 -8.836
98 HB2 ARG 9 1HB ARG 9 38.720 16.903 -8.252
99 HB3 ARG 9 2HB ARG 9 37.653 17.765 -9.353
100 HG2 ARG 9 1HG ARG 9 36.927 19.230 -7.602
101 HG3 ARG 9 2HG ARG 9 37.808 18.291 -6.394
102 HD2 ARG 9 1HD ARG 9 38.950 19.957 -8.628
103 HD3 ARG 9 2HD ARG 9 39.102 20.234 -6.894
104 HE ARG 9 HE ARG 9 40.223 17.793 -7.241
105 HH11 ARG 9 1HH1 ARG 9 40.710 20.898 -8.737
106 HH12 ARG 9 2HH1 ARG 9 42.388 20.622 -9.068
107 HH21 ARG 9 1HH2 ARG 9 42.431 17.416 -7.672
108 HH22 ARG 9 2HH2 ARG 9 43.366 18.640 -8.463
109 HA PRO 10 HA PRO 10 37.430 13.376 -5.250
110 HB2 PRO 10 1HB PRO 10 39.882 12.363 -5.827
111 HB3 PRO 10 2HB PRO 10 38.406 11.826 -6.637
112 HG2 PRO 10 1HG PRO 10 40.478 13.773 -7.572
113 HG3 PRO 10 2HG PRO 10 39.662 12.487 -8.479
114 HD2 PRO 10 1HD PRO 10 38.929 15.087 -8.659
115 HD3 PRO 10 2HD PRO 10 37.766 13.755 -8.816
116 H ASN 11 H ASN 11 39.267 16.111 -6.026
117 HA ASN 11 HA ASN 11 40.809 15.941 -3.529
118 HB2 ASN 11 1HB ASN 11 41.795 16.487 -5.945
119 HB3 ASN 11 2HB ASN 11 41.297 18.118 -5.505
120 HD21 ASN 11 2HD2 ASN 11 43.887 17.739 -5.924
121 HD22 ASN 11 1HD2 ASN 11 44.773 17.735 -4.441
122 H CYS 12 H CYS 12 38.328 16.395 -2.884
123 HA CYS 12 HA CYS 12 38.058 19.313 -2.575
124 HB2 CYS 12 1HB CYS 12 35.616 18.753 -2.097
125 HB3 CYS 12 2HB CYS 12 36.158 18.550 -3.760
126 HA PRO 13 HA PRO 13 39.085 18.046 1.657
127 HB2 PRO 13 1HB PRO 13 39.855 20.531 2.433
128 HB3 PRO 13 2HB PRO 13 40.914 19.433 1.541
129 HG2 PRO 13 1HG PRO 13 39.276 21.724 0.528
130 HG3 PRO 13 2HG PRO 13 40.938 21.268 0.114
131 HD2 PRO 13 1HD PRO 13 38.827 20.677 -1.475
132 HD3 PRO 13 2HD PRO 13 40.256 19.631 -1.358
133 H TYR 14 H TYR 14 36.703 20.036 0.333
134 HA TYR 14 HA TYR 14 35.554 20.682 2.955
135 HB2 TYR 14 1HB TYR 14 35.204 21.808 0.203
136 HB3 TYR 14 2HB TYR 14 33.908 21.993 1.380
137 HD1 TYR 14 HD2 TYR 14 34.432 23.149 3.575
138 HD2 TYR 14 HD1 TYR 14 37.091 23.212 0.254
139 HE1 TYR 14 HE2 TYR 14 35.580 25.098 4.539
140 HE2 TYR 14 HE1 TYR 14 38.247 25.161 1.210
141 HH TYR 14 HH TYR 14 37.939 26.122 4.352
142 H CYS 15 H CYS 15 34.807 19.101 -0.118
143 HA CYS 15 HA CYS 15 32.164 18.400 0.341
144 HB2 CYS 15 1HB CYS 15 32.387 16.849 -1.408
145 HB3 CYS 15 2HB CYS 15 33.600 18.073 -1.769
146 H LYS 16 H LYS 16 35.040 17.188 1.798
147 HA LYS 16 HA LYS 16 34.403 14.634 2.567
148 HB2 LYS 16 1HB LYS 16 36.008 16.820 3.789
149 HB3 LYS 16 2HB LYS 16 35.625 15.437 4.806
150 HG2 LYS 16 1HG LYS 16 36.717 13.940 3.297
151 HG3 LYS 16 2HG LYS 16 36.934 15.222 2.104
152 HD2 LYS 16 1HD LYS 16 38.211 16.406 4.064
153 HD3 LYS 16 2HD LYS 16 38.364 14.760 4.684
154 HE2 LYS 16 1HE LYS 16 39.472 14.049 2.676
155 HE3 LYS 16 2HE LYS 16 39.174 15.606 1.906
156 HZ1 LYS 16 3HZ LYS 16 40.598 16.649 3.565
157 HZ2 LYS 16 1HZ LYS 16 41.438 15.455 2.709
158 HZ3 LYS 16 2HZ LYS 16 40.897 15.145 4.281
159 H ARG 17 H ARG 17 33.283 17.665 3.983
160 HA ARG 17 HA ARG 17 32.004 16.585 6.239
161 HB2 ARG 17 1HB ARG 17 31.757 19.129 4.691
162 HB3 ARG 17 2HB ARG 17 30.527 18.745 5.888
163 HG2 ARG 17 1HG ARG 17 32.569 18.354 7.457
164 HG3 ARG 17 2HG ARG 17 33.421 19.348 6.272
165 HD2 ARG 17 1HD ARG 17 31.956 21.181 6.629
166 HD3 ARG 17 2HD ARG 17 30.834 20.187 7.558
167 HE ARG 17 HE ARG 17 33.339 20.178 8.828
168 HH11 ARG 17 1HH1 ARG 17 30.673 22.317 8.163
169 HH12 ARG 17 2HH1 ARG 17 30.930 23.288 9.575
170 HH21 ARG 17 1HH2 ARG 17 33.687 21.449 10.690
171 HH22 ARG 17 2HH2 ARG 17 32.646 22.794 11.011
172 H ALA 18 H ALA 18 30.879 17.139 2.938
173 HA ALA 18 HA ALA 18 28.166 16.505 3.377
174 HB1 ALA 18 1HB ALA 18 27.977 16.336 0.987
175 HB2 ALA 18 2HB ALA 18 29.039 17.689 1.379
176 HB3 ALA 18 3HB ALA 18 29.724 16.163 0.819
177 H ARG 19 H ARG 19 30.801 14.517 2.019
178 HA ARG 19 HA ARG 19 29.339 12.146 1.788
179 HB2 ARG 19 1HB ARG 19 31.541 11.017 1.738
180 HB3 ARG 19 2HB ARG 19 31.474 12.421 0.681
181 HG2 ARG 19 1HG ARG 19 32.652 13.740 2.385
182 HG3 ARG 19 2HG ARG 19 32.752 12.303 3.404
183 HD2 ARG 19 1HD ARG 19 33.927 12.572 0.639
184 HD3 ARG 19 2HD ARG 19 34.829 12.712 2.148
185 HE ARG 19 HE ARG 19 33.626 10.273 2.311
186 HH11 ARG 19 1HH1 ARG 19 35.712 11.824 -0.005
187 HH12 ARG 19 2HH1 ARG 19 36.447 10.345 -0.528
188 HH21 ARG 19 1HH2 ARG 19 34.587 8.320 1.631
189 HH22 ARG 19 2HH2 ARG 19 35.806 8.352 0.402
190 H ASP 20 H ASP 20 30.973 13.589 4.521
191 HA ASP 20 HA ASP 20 30.922 11.276 6.184
192 HB2 ASP 20 1HB ASP 20 32.412 13.326 6.455
193 HB3 ASP 20 2HB ASP 20 31.006 14.138 7.138
194 H LEU 21 H LEU 21 28.815 14.101 5.829
195 HA LEU 21 HA LEU 21 27.065 13.525 7.944
196 HB2 LEU 21 1HB LEU 21 26.937 15.678 7.049
197 HB3 LEU 21 2HB LEU 21 26.791 15.080 5.398
198 HG LEU 21 HG LEU 21 24.573 14.322 7.163
199 HD11 LEU 21 1HD1 LEU 21 23.760 16.339 7.730
200 HD12 LEU 21 2HD1 LEU 21 24.359 17.113 6.264
201 HD13 LEU 21 3HD1 LEU 21 25.449 16.837 7.623
202 HD21 LEU 21 3HD2 LEU 21 23.300 15.146 5.172
203 HD22 LEU 21 1HD2 LEU 21 24.450 13.854 4.828
204 HD23 LEU 21 2HD2 LEU 21 24.847 15.521 4.413
205 H LEU 22 H LEU 22 26.846 12.714 4.488
206 HA LEU 22 HA LEU 22 24.403 11.315 4.670
207 HB2 LEU 22 1HB LEU 22 26.567 10.761 2.660
208 HB3 LEU 22 2HB LEU 22 24.826 10.559 2.469
209 HG LEU 22 HG LEU 22 25.775 13.311 2.988
210 HD11 LEU 22 1HD1 LEU 22 26.230 13.518 0.483
211 HD12 LEU 22 2HD1 LEU 22 26.459 11.770 0.507
212 HD13 LEU 22 3HD1 LEU 22 27.494 12.807 1.487
213 HD21 LEU 22 3HD2 LEU 22 23.859 13.880 1.941
214 HD22 LEU 22 1HD2 LEU 22 23.402 12.222 2.336
215 HD23 LEU 22 2HD2 LEU 22 24.015 12.608 0.728
216 H ASP 23 H ASP 23 27.728 10.055 4.366
217 HA ASP 23 HA ASP 23 27.170 7.366 4.667
218 HB2 ASP 23 1HB ASP 23 29.398 8.429 4.094
219 HB3 ASP 23 2HB ASP 23 29.614 8.713 5.819
220 H LYS 24 H LYS 24 27.489 9.856 7.121
221 HA LYS 24 HA LYS 24 27.410 8.014 9.325
222 HB2 LYS 24 1HB LYS 24 28.542 10.176 9.534
223 HB3 LYS 24 2HB LYS 24 27.022 11.013 9.244
224 HG2 LYS 24 1HG LYS 24 27.055 9.089 11.483
225 HG3 LYS 24 2HG LYS 24 28.009 10.560 11.685
226 HD2 LYS 24 1HD LYS 24 25.801 11.693 10.778
227 HD3 LYS 24 2HD LYS 24 25.064 10.220 11.412
228 HE2 LYS 24 1HE LYS 24 26.609 10.855 13.498
229 HE3 LYS 24 2HE LYS 24 26.363 12.470 12.836
230 HZ1 LYS 24 3HZ LYS 24 24.063 10.677 13.253
231 HZ2 LYS 24 1HZ LYS 24 24.102 12.368 13.200
232 HZ3 LYS 24 2HZ LYS 24 24.701 11.550 14.554
233 H LYS 25 H LYS 25 25.093 9.791 7.436
234 HA LYS 25 HA LYS 25 22.921 9.599 9.267
235 HB2 LYS 25 1HB LYS 25 23.391 10.684 6.651
236 HB3 LYS 25 2HB LYS 25 21.913 9.732 6.627
237 HG2 LYS 25 1HG LYS 25 21.372 12.010 7.131
238 HG3 LYS 25 2HG LYS 25 21.095 11.025 8.570
239 HD2 LYS 25 1HD LYS 25 23.649 11.759 8.994
240 HD3 LYS 25 2HD LYS 25 23.082 13.155 8.075
241 HE2 LYS 25 1HE LYS 25 21.035 12.908 9.773
242 HE3 LYS 25 2HE LYS 25 22.306 12.203 10.771
243 HZ1 LYS 25 3HZ LYS 25 23.560 14.186 10.652
244 HZ2 LYS 25 1HZ LYS 25 21.977 14.654 11.025
245 HZ3 LYS 25 2HZ LYS 25 22.566 14.844 9.451
246 H GLY 26 H GLY 26 24.217 7.522 6.766
247 HA2 GLY 26 1HA GLY 26 23.861 5.137 6.958
248 HA3 GLY 26 2HA GLY 26 22.244 5.478 7.558
249 H VAL 27 H VAL 27 24.109 6.485 4.688
250 HA VAL 27 HA VAL 27 22.126 5.213 2.969
251 HB VAL 27 HB VAL 27 22.073 7.356 1.559
252 HG11 VAL 27 1HG1 VAL 27 20.658 7.089 4.200
253 HG12 VAL 27 2HG1 VAL 27 20.243 8.324 3.010
254 HG13 VAL 27 3HG1 VAL 27 20.083 6.615 2.602
255 HG21 VAL 27 3HG2 VAL 27 22.953 9.264 2.324
256 HG22 VAL 27 1HG2 VAL 27 22.324 9.002 3.950
257 HG23 VAL 27 2HG2 VAL 27 23.844 8.254 3.461
258 H LYS 28 H LYS 28 22.808 5.738 0.559
259 HA LYS 28 HA LYS 28 25.732 5.398 0.400
260 HB2 LYS 28 1HB LYS 28 23.493 3.964 -0.961
261 HB3 LYS 28 2HB LYS 28 25.007 4.175 -1.832
262 HG2 LYS 28 1HG LYS 28 25.380 2.154 -0.851
263 HG3 LYS 28 2HG LYS 28 26.040 3.223 0.389
264 HD2 LYS 28 1HD LYS 28 24.713 1.831 1.656
265 HD3 LYS 28 2HD LYS 28 23.597 3.157 1.324
266 HE2 LYS 28 1HE LYS 28 22.772 1.830 -0.644
267 HE3 LYS 28 2HE LYS 28 23.743 0.481 -0.055
268 HZ1 LYS 28 3HZ LYS 28 21.417 1.760 1.256
269 HZ2 LYS 28 1HZ LYS 28 22.480 0.746 2.095
270 HZ3 LYS 28 2HZ LYS 28 21.594 0.145 0.786
271 H TYR 29 H TYR 29 26.520 7.287 -0.297
272 HA TYR 29 HA TYR 29 25.058 8.840 -2.283
273 HB2 TYR 29 1HB TYR 29 26.666 10.606 -1.824
274 HB3 TYR 29 2HB TYR 29 26.019 9.982 -0.311
275 HD1 TYR 29 HD1 TYR 29 28.971 9.954 -2.537
276 HD2 TYR 29 HD2 TYR 29 27.440 8.995 1.315
277 HE1 TYR 29 HE1 TYR 29 31.261 9.551 -1.734
278 HE2 TYR 29 HE2 TYR 29 29.725 8.591 2.129
279 HH TYR 29 HH TYR 29 32.509 8.764 -0.049
280 H THR 30 H THR 30 25.856 9.376 -4.304
281 HA THR 30 HA THR 30 27.993 7.614 -5.288
282 HB THR 30 HB THR 30 25.787 9.029 -6.797
283 HG1 THR 30 HG1 THR 30 25.386 7.017 -5.502
284 HG21 THR 30 3HG2 THR 30 26.761 7.319 -8.595
285 HG22 THR 30 1HG2 THR 30 28.247 7.629 -7.698
286 HG23 THR 30 2HG2 THR 30 27.369 8.967 -8.440
287 H ASP 31 H ASP 31 29.914 8.532 -5.524
288 HA ASP 31 HA ASP 31 30.173 11.407 -5.753
289 HB2 ASP 31 1HB ASP 31 31.737 10.316 -4.297
290 HB3 ASP 31 2HB ASP 31 32.203 9.179 -5.559
291 H ILE 32 H ILE 32 30.382 12.491 -7.594
292 HA ILE 32 HA ILE 32 30.963 10.972 -10.047
293 HB ILE 32 HB ILE 32 29.529 13.614 -9.757
294 HG12 ILE 32 1HG1 ILE 32 28.181 11.748 -8.945
295 HG13 ILE 32 2HG1 ILE 32 27.538 12.340 -10.473
296 HG21 ILE 32 1HG2 ILE 32 30.342 11.985 -12.135
297 HG22 ILE 32 2HG2 ILE 32 28.946 13.059 -12.205
298 HG23 ILE 32 3HG2 ILE 32 30.544 13.713 -11.847
299 HD11 ILE 32 3HD1 ILE 32 27.457 10.125 -10.899
300 HD12 ILE 32 1HD1 ILE 32 29.116 10.421 -11.416
301 HD13 ILE 32 2HD1 ILE 32 28.797 9.752 -9.816
302 H ASP 33 H ASP 33 32.934 11.237 -10.836
303 HA ASP 33 HA ASP 33 34.856 12.998 -9.934
304 HB2 ASP 33 1HB ASP 33 34.521 11.404 -12.436
305 HB3 ASP 33 2HB ASP 33 35.808 12.606 -12.379
306 H ALA 34 H ALA 34 35.611 14.995 -10.552
307 HA ALA 34 HA ALA 34 33.754 16.879 -11.475
308 HB1 ALA 34 1HB ALA 34 36.048 18.199 -11.860
309 HB2 ALA 34 2HB ALA 34 35.345 17.938 -10.263
310 HB3 ALA 34 3HB ALA 34 36.640 16.888 -10.839
311 H SER 35 H SER 35 35.759 14.708 -13.190
312 HA SER 35 HA SER 35 36.363 16.019 -15.535
313 HB2 SER 35 1HB SER 35 37.205 13.823 -15.276
314 HB3 SER 35 2HB SER 35 35.597 13.150 -15.010
315 HG SER 35 HG SER 35 36.339 14.383 -17.445
316 H THR 36 H THR 36 35.102 17.168 -16.826
317 HA THR 36 HA THR 36 32.280 17.006 -16.845
318 HB THR 36 HB THR 36 32.377 18.547 -18.767
319 HG1 THR 36 HG1 THR 36 34.239 18.937 -19.807
320 HG21 THR 36 3HG2 THR 36 34.440 19.846 -17.231
321 HG22 THR 36 1HG2 THR 36 33.310 19.011 -16.166
322 HG23 THR 36 2HG2 THR 36 32.716 20.208 -17.318
323 H SER 37 H SER 37 34.744 15.365 -18.631
324 HA SER 37 HA SER 37 33.499 14.664 -20.979
325 HB2 SER 37 1HB SER 37 35.058 12.941 -21.172
326 HB3 SER 37 2HB SER 37 35.853 14.033 -20.039
327 HG SER 37 HG SER 37 35.945 11.924 -19.255
328 H LEU 38 H LEU 38 32.885 13.480 -17.751
329 HA LEU 38 HA LEU 38 30.707 11.815 -18.830
330 HB2 LEU 38 1HB LEU 38 32.748 10.665 -17.726
331 HB3 LEU 38 2HB LEU 38 32.045 11.237 -16.215
332 HG LEU 38 HG LEU 38 29.905 10.009 -17.087
333 HD11 LEU 38 1HD1 LEU 38 30.645 9.444 -19.281
334 HD12 LEU 38 2HD1 LEU 38 30.549 7.951 -18.348
335 HD13 LEU 38 3HD1 LEU 38 32.116 8.699 -18.656
336 HD21 LEU 38 3HD2 LEU 38 31.880 8.002 -16.280
337 HD22 LEU 38 1HD2 LEU 38 30.372 8.490 -15.507
338 HD23 LEU 38 2HD2 LEU 38 31.838 9.438 -15.255
339 H ARG 39 H ARG 39 31.800 13.968 -16.281
340 HA ARG 39 HA ARG 39 29.504 13.916 -14.669
341 HB2 ARG 39 1HB ARG 39 31.604 14.902 -13.913
342 HB3 ARG 39 2HB ARG 39 31.476 16.159 -15.136
343 HG2 ARG 39 1HG ARG 39 29.087 16.285 -13.698
344 HG3 ARG 39 2HG ARG 39 30.356 16.056 -12.493
345 HD2 ARG 39 1HD ARG 39 30.044 18.410 -12.849
346 HD3 ARG 39 2HD ARG 39 31.603 17.936 -13.524
347 HE ARG 39 HE ARG 39 29.513 17.885 -15.471
348 HH11 ARG 39 1HH1 ARG 39 31.742 19.961 -13.785
349 HH12 ARG 39 2HH1 ARG 39 31.772 21.161 -15.034
350 HH21 ARG 39 1HH2 ARG 39 29.544 19.459 -17.122
351 HH22 ARG 39 2HH2 ARG 39 30.520 20.875 -16.931
352 H GLN 40 H GLN 40 30.331 15.857 -17.501
353 HA GLN 40 HA GLN 40 28.199 17.659 -17.417
354 HB2 GLN 40 1HB GLN 40 30.282 17.581 -18.966
355 HB3 GLN 40 2HB GLN 40 29.273 16.586 -20.007
356 HG2 GLN 40 1HG GLN 40 27.913 18.314 -20.583
357 HG3 GLN 40 2HG GLN 40 28.151 19.157 -19.053
358 HE21 GLN 40 2HE2 GLN 40 29.833 18.247 -22.028
359 HE22 GLN 40 1HE2 GLN 40 30.819 19.663 -22.113
360 H GLU 41 H GLU 41 28.415 14.409 -18.780
361 HA GLU 41 HA GLU 41 25.838 14.448 -19.989
362 HB2 GLU 41 1HB GLU 41 27.258 11.947 -19.112
363 HB3 GLU 41 2HB GLU 41 26.189 12.177 -20.489
364 HG2 GLU 41 1HG GLU 41 28.008 13.782 -21.353
365 HG3 GLU 41 2HG GLU 41 29.047 12.991 -20.169
366 H MET 42 H MET 42 27.079 13.014 -16.978
367 HA MET 42 HA MET 42 24.662 11.926 -16.084
368 HB2 MET 42 1HB MET 42 26.891 11.401 -15.130
369 HB3 MET 42 2HB MET 42 26.929 12.998 -14.395
370 HG2 MET 42 1HG MET 42 26.068 11.996 -12.607
371 HG3 MET 42 2HG MET 42 24.548 12.024 -13.498
372 HE1 MET 42 3HE MET 42 27.580 9.104 -14.375
373 HE2 MET 42 1HE MET 42 27.816 10.348 -13.147
374 HE3 MET 42 2HE MET 42 27.434 8.695 -12.665
375 H VAL 43 H VAL 43 26.172 15.050 -15.275
376 HA VAL 43 HA VAL 43 24.086 15.981 -13.632
377 HB VAL 43 HB VAL 43 26.407 16.944 -13.756
378 HG11 VAL 43 1HG1 VAL 43 25.395 18.572 -16.065
379 HG12 VAL 43 2HG1 VAL 43 27.043 18.422 -15.453
380 HG13 VAL 43 3HG1 VAL 43 26.294 17.075 -16.313
381 HG21 VAL 43 3HG2 VAL 43 25.128 19.416 -13.970
382 HG22 VAL 43 1HG2 VAL 43 23.885 18.296 -13.413
383 HG23 VAL 43 2HG2 VAL 43 25.385 18.473 -12.503
384 H GLN 44 H GLN 44 24.613 16.146 -17.101
385 HA GLN 44 HA GLN 44 22.660 18.057 -17.734
386 HB2 GLN 44 1HB GLN 44 23.999 17.650 -19.543
387 HB3 GLN 44 2HB GLN 44 24.106 15.926 -19.213
388 HG2 GLN 44 1HG GLN 44 22.174 15.445 -20.342
389 HG3 GLN 44 2HG GLN 44 21.502 17.056 -20.099
390 HE21 GLN 44 2HE2 GLN 44 23.586 15.077 -22.033
391 HE22 GLN 44 1HE2 GLN 44 23.794 16.199 -23.329
392 H ARG 45 H ARG 45 22.457 14.504 -17.676
393 HA ARG 45 HA ARG 45 19.615 14.552 -18.168
394 HB2 ARG 45 1HB ARG 45 21.090 12.740 -19.022
395 HB3 ARG 45 2HB ARG 45 21.379 12.233 -17.363
396 HG2 ARG 45 1HG ARG 45 19.095 11.610 -17.077
397 HG3 ARG 45 2HG ARG 45 18.652 12.326 -18.628
398 HD2 ARG 45 1HD ARG 45 19.893 10.673 -19.825
399 HD3 ARG 45 2HD ARG 45 20.606 10.052 -18.336
400 HE ARG 45 HE ARG 45 17.792 9.865 -18.214
401 HH11 ARG 45 1HH1 ARG 45 20.554 8.418 -19.762
402 HH12 ARG 45 2HH1 ARG 45 19.798 6.871 -19.957
403 HH21 ARG 45 1HH2 ARG 45 16.786 7.833 -18.465
404 HH22 ARG 45 2HH2 ARG 45 17.655 6.539 -19.220
405 H ALA 46 H ALA 46 21.574 14.936 -15.467
406 HA ALA 46 HA ALA 46 19.862 13.674 -13.533
407 HB1 ALA 46 1HB ALA 46 22.160 15.597 -13.215
408 HB2 ALA 46 2HB ALA 46 21.315 14.818 -11.877
409 HB3 ALA 46 3HB ALA 46 22.208 13.842 -13.045
410 H ASN 47 H ASN 47 20.448 16.986 -14.641
411 HA ASN 47 HA ASN 47 18.081 17.843 -13.110
412 HB2 ASN 47 1HB ASN 47 19.025 19.963 -12.825
413 HB3 ASN 47 2HB ASN 47 20.409 18.888 -12.648
414 HD21 ASN 47 2HD2 ASN 47 22.116 19.198 -13.910
415 HD22 ASN 47 1HD2 ASN 47 22.174 20.262 -15.270
416 H GLY 48 H GLY 48 19.750 18.043 -16.213
417 HA2 GLY 48 1HA GLY 48 18.261 17.848 -18.182
418 HA3 GLY 48 2HA GLY 48 17.229 19.034 -17.397
419 H ARG 49 H ARG 49 20.664 19.404 -17.203
420 HA ARG 49 HA ARG 49 21.098 20.911 -19.539
421 HB2 ARG 49 1HB ARG 49 19.474 22.374 -18.130
422 HB3 ARG 49 2HB ARG 49 20.889 22.702 -17.139
423 HG2 ARG 49 1HG ARG 49 21.980 23.833 -18.848
424 HG3 ARG 49 2HG ARG 49 20.971 23.107 -20.101
425 HD2 ARG 49 1HD ARG 49 19.972 25.139 -20.028
426 HD3 ARG 49 2HD ARG 49 19.074 24.376 -18.717
427 HE ARG 49 HE ARG 49 21.435 25.627 -17.754
428 HH11 ARG 49 1HH1 ARG 49 18.200 26.289 -18.856
429 HH12 ARG 49 2HH1 ARG 49 18.046 27.751 -17.938
430 HH21 ARG 49 1HH2 ARG 49 21.245 27.550 -16.541
431 HH22 ARG 49 2HH2 ARG 49 19.780 28.468 -16.623
432 H ASN 50 H ASN 50 23.173 22.166 -19.417
433 HA ASN 50 HA ASN 50 25.023 20.774 -17.608
434 HB2 ASN 50 1HB ASN 50 25.975 22.355 -19.960
435 HB3 ASN 50 2HB ASN 50 26.654 20.898 -19.242
436 HD21 ASN 50 2HD2 ASN 50 26.126 18.966 -20.062
437 HD22 ASN 50 1HD2 ASN 50 24.998 18.718 -21.347
438 H THR 51 H THR 51 26.200 21.859 -16.146
439 HA THR 51 HA THR 51 26.808 24.647 -16.388
440 HB THR 51 HB THR 51 25.396 24.372 -13.864
441 HG1 THR 51 HG1 THR 51 23.663 24.460 -16.083
442 HG21 THR 51 3HG2 THR 51 25.976 26.535 -14.551
443 HG22 THR 51 1HG2 THR 51 24.244 26.443 -14.863
444 HG23 THR 51 2HG2 THR 51 25.390 26.270 -16.192
445 H PHE 52 H PHE 52 27.409 25.331 -13.842
446 HA PHE 52 HA PHE 52 29.816 23.993 -13.354
447 HB2 PHE 52 1HB PHE 52 29.701 25.208 -11.105
448 HB3 PHE 52 2HB PHE 52 29.653 26.208 -12.553
449 HD1 PHE 52 HD2 PHE 52 27.488 24.632 -9.985
450 HD2 PHE 52 HD1 PHE 52 27.906 27.704 -12.902
451 HE1 PHE 52 HE2 PHE 52 25.393 25.657 -9.201
452 HE2 PHE 52 HE1 PHE 52 25.812 28.734 -12.122
453 HZ PHE 52 HZ PHE 52 24.552 27.710 -10.270
454 HA PRO 53 HA PRO 53 28.815 20.490 -10.910
455 HB2 PRO 53 1HB PRO 53 30.869 20.439 -9.135
456 HB3 PRO 53 2HB PRO 53 31.065 20.026 -10.843
457 HG2 PRO 53 1HG PRO 53 31.684 22.592 -9.431
458 HG3 PRO 53 2HG PRO 53 32.635 21.731 -10.654
459 HD2 PRO 53 1HD PRO 53 31.097 23.878 -11.250
460 HD3 PRO 53 2HD PRO 53 31.368 22.550 -12.397
461 H GLN 54 H GLN 54 28.115 19.764 -8.829
462 HA GLN 54 HA GLN 54 28.073 21.372 -6.522
463 HB2 GLN 54 1HB GLN 54 25.956 22.332 -6.492
464 HB3 GLN 54 2HB GLN 54 26.468 22.590 -8.155
465 HG2 GLN 54 1HG GLN 54 24.520 20.563 -7.108
466 HG3 GLN 54 2HG GLN 54 24.227 21.877 -8.246
467 HE21 GLN 54 2HE2 GLN 54 24.251 18.727 -8.152
468 HE22 GLN 54 1HE2 GLN 54 24.916 18.331 -9.696
469 H ILE 55 H ILE 55 26.070 20.569 -5.064
470 HA ILE 55 HA ILE 55 26.322 17.659 -5.066
471 HB ILE 55 HB ILE 55 25.193 19.502 -2.955
472 HG12 ILE 55 1HG1 ILE 55 27.380 18.538 -1.807
473 HG13 ILE 55 2HG1 ILE 55 27.906 18.368 -3.478
474 HG21 ILE 55 1HG2 ILE 55 25.627 17.358 -1.552
475 HG22 ILE 55 2HG2 ILE 55 24.160 17.484 -2.521
476 HG23 ILE 55 3HG2 ILE 55 25.527 16.538 -3.109
477 HD11 ILE 55 3HD1 ILE 55 28.120 20.619 -1.901
478 HD12 ILE 55 1HD1 ILE 55 28.326 20.537 -3.650
479 HD13 ILE 55 2HD1 ILE 55 26.760 20.973 -2.966
480 H PHE 56 H PHE 56 24.780 16.443 -5.912
481 HA PHE 56 HA PHE 56 22.118 17.573 -6.327
482 HB2 PHE 56 1HB PHE 56 23.756 15.969 -7.903
483 HB3 PHE 56 2HB PHE 56 22.512 14.867 -7.322
484 HD1 PHE 56 HD2 PHE 56 20.053 15.815 -7.499
485 HD2 PHE 56 HD1 PHE 56 23.356 17.153 -9.826
486 HE1 PHE 56 HE2 PHE 56 18.500 16.670 -9.205
487 HE2 PHE 56 HE1 PHE 56 21.809 18.011 -11.535
488 HZ PHE 56 HZ PHE 56 19.377 17.769 -11.227
489 H ILE 57 H ILE 57 20.220 16.532 -5.651
490 HA ILE 57 HA ILE 57 20.531 14.347 -3.719
491 HB ILE 57 HB ILE 57 18.893 16.831 -3.195
492 HG12 ILE 57 1HG1 ILE 57 21.295 15.863 -1.648
493 HG13 ILE 57 2HG1 ILE 57 21.436 17.000 -2.984
494 HG21 ILE 57 1HG2 ILE 57 17.847 14.832 -2.298
495 HG22 ILE 57 2HG2 ILE 57 19.356 14.375 -1.509
496 HG23 ILE 57 3HG2 ILE 57 18.495 15.824 -0.991
497 HD11 ILE 57 3HD1 ILE 57 21.396 18.062 -0.752
498 HD12 ILE 57 1HD1 ILE 57 20.109 18.616 -1.823
499 HD13 ILE 57 2HD1 ILE 57 19.751 17.463 -0.538
500 H GLY 58 H GLY 58 19.604 12.906 -5.175
501 HA2 GLY 58 1HA GLY 58 17.852 11.717 -6.068
502 HA3 GLY 58 2HA GLY 58 16.776 12.745 -5.133
503 H ASP 59 H ASP 59 16.011 14.697 -6.058
504 HA ASP 59 HA ASP 59 16.409 14.930 -8.963
505 HB2 ASP 59 1HB ASP 59 14.188 13.819 -8.149
506 HB3 ASP 59 2HB ASP 59 13.724 15.468 -7.739
507 H TYR 60 H TYR 60 17.225 16.379 -6.353
508 HA TYR 60 HA TYR 60 16.558 19.072 -7.335
509 HB2 TYR 60 1HB TYR 60 15.265 18.979 -5.395
510 HB3 TYR 60 2HB TYR 60 16.449 18.002 -4.533
511 HD1 TYR 60 HD2 TYR 60 15.547 21.399 -5.588
512 HD2 TYR 60 HD1 TYR 60 18.322 19.027 -3.403
513 HE1 TYR 60 HE2 TYR 60 16.443 23.431 -4.531
514 HE2 TYR 60 HE1 TYR 60 19.225 21.052 -2.340
515 HH TYR 60 HH TYR 60 17.749 24.209 -2.850
516 H HIS 61 H HIS 61 18.256 20.357 -7.678
517 HA HIS 61 HA HIS 61 20.898 19.394 -6.852
518 HB2 HIS 61 1HB HIS 61 21.701 21.131 -8.526
519 HB3 HIS 61 2HB HIS 61 20.809 19.767 -9.194
520 HD1 HIS 61 HD1 HIS 61 18.373 20.254 -10.038
521 HD2 HIS 61 HD2 HIS 61 20.537 23.613 -8.900
522 HE1 HIS 61 HE1 HIS 61 17.106 22.217 -10.969
523 H VAL 62 H VAL 62 21.764 20.255 -5.094
524 HA VAL 62 HA VAL 62 20.741 22.487 -3.735
525 HB VAL 62 HB VAL 62 23.477 21.226 -3.508
526 HG11 VAL 62 1HG1 VAL 62 22.032 23.087 -1.624
527 HG12 VAL 62 2HG1 VAL 62 23.560 22.270 -1.291
528 HG13 VAL 62 3HG1 VAL 62 23.464 23.474 -2.576
529 HG21 VAL 62 3HG2 VAL 62 21.134 20.816 -1.674
530 HG22 VAL 62 1HG2 VAL 62 21.395 19.806 -3.096
531 HG23 VAL 62 2HG2 VAL 62 22.606 19.854 -1.815
532 H GLY 63 H GLY 63 24.066 22.320 -4.993
533 HA2 GLY 63 1HA GLY 63 24.630 23.990 -6.786
534 HA3 GLY 63 2HA GLY 63 23.784 25.155 -5.778
535 H GLY 64 H GLY 64 25.152 23.337 -3.534
536 HA2 GLY 64 1HA GLY 64 27.911 23.956 -3.686
537 HA3 GLY 64 2HA GLY 64 27.076 25.194 -2.760
538 H CYS 65 H CYS 65 29.006 23.780 -1.515
539 HA CYS 65 HA CYS 65 27.875 21.516 -0.126
540 HB2 CYS 65 1HB CYS 65 30.434 22.975 0.536
541 HB3 CYS 65 2HB CYS 65 29.997 21.325 0.964
542 HG CYS 65 HG CYS 65 30.396 22.285 -2.288
543 H ASP 66 H ASP 66 28.966 24.779 0.792
544 HA ASP 66 HA ASP 66 28.259 24.708 3.472
545 HB2 ASP 66 1HB ASP 66 28.324 27.105 3.433
546 HB3 ASP 66 2HB ASP 66 29.553 26.525 2.313
547 H ASP 67 H ASP 67 26.253 24.950 0.665
548 HA ASP 67 HA ASP 67 23.948 26.019 1.964
549 HB2 ASP 67 1HB ASP 67 24.600 24.911 -0.699
550 HB3 ASP 67 2HB ASP 67 22.919 24.746 -0.197
551 H LEU 68 H LEU 68 25.072 22.761 1.188
552 HA LEU 68 HA LEU 68 22.719 21.432 2.064
553 HB2 LEU 68 1HB LEU 68 23.785 19.501 1.521
554 HB3 LEU 68 2HB LEU 68 24.757 20.639 0.591
555 HG LEU 68 HG LEU 68 26.261 20.630 2.744
556 HD11 LEU 68 1HD1 LEU 68 26.125 18.007 3.376
557 HD12 LEU 68 2HD1 LEU 68 24.416 18.379 3.156
558 HD13 LEU 68 3HD1 LEU 68 25.375 19.295 4.319
559 HD21 LEU 68 3HD2 LEU 68 27.656 19.658 1.319
560 HD22 LEU 68 1HD2 LEU 68 26.286 19.305 0.265
561 HD23 LEU 68 2HD2 LEU 68 26.801 18.122 1.469
562 H TYR 69 H TYR 69 25.736 22.351 3.627
563 HA TYR 69 HA TYR 69 25.247 20.925 6.044
564 HB2 TYR 69 1HB TYR 69 27.040 23.327 5.654
565 HB3 TYR 69 2HB TYR 69 27.143 22.123 6.934
566 HD1 TYR 69 HD1 TYR 69 26.977 19.593 5.566
567 HD2 TYR 69 HD2 TYR 69 28.938 23.167 4.346
568 HE1 TYR 69 HE1 TYR 69 28.530 18.266 4.196
569 HE2 TYR 69 HE2 TYR 69 30.495 21.850 2.971
570 HH TYR 69 HH TYR 69 31.291 19.732 2.608
571 H ALA 70 H ALA 70 25.030 24.381 5.202
572 HA ALA 70 HA ALA 70 24.015 25.273 7.649
573 HB1 ALA 70 1HB ALA 70 23.619 26.403 4.881
574 HB2 ALA 70 2HB ALA 70 23.220 27.243 6.380
575 HB3 ALA 70 3HB ALA 70 24.895 26.821 6.025
576 H LEU 71 H LEU 71 22.258 24.439 4.660
577 HA LEU 71 HA LEU 71 19.678 24.867 5.628
578 HB2 LEU 71 1HB LEU 71 20.741 23.014 3.513
579 HB3 LEU 71 2HB LEU 71 19.019 23.179 3.849
580 HG LEU 71 HG LEU 71 20.809 25.445 2.977
581 HD11 LEU 71 1HD1 LEU 71 19.379 23.370 1.462
582 HD12 LEU 71 2HD1 LEU 71 20.756 24.371 1.002
583 HD13 LEU 71 3HD1 LEU 71 19.121 25.026 0.913
584 HD21 LEU 71 3HD2 LEU 71 19.091 26.775 3.423
585 HD22 LEU 71 1HD2 LEU 71 18.247 25.405 4.145
586 HD23 LEU 71 2HD2 LEU 71 18.021 25.779 2.436
587 H GLU 72 H GLU 72 21.613 21.886 5.583
588 HA GLU 72 HA GLU 72 19.727 20.160 6.679
589 HB2 GLU 72 1HB GLU 72 21.710 19.220 5.778
590 HB3 GLU 72 2HB GLU 72 22.735 20.193 6.823
591 HG2 GLU 72 1HG GLU 72 20.835 18.258 8.051
592 HG3 GLU 72 2HG GLU 72 22.327 17.664 7.324
593 H ASN 73 H ASN 73 21.976 22.370 8.262
594 HA ASN 73 HA ASN 73 21.152 21.516 10.905
595 HB2 ASN 73 1HB ASN 73 23.506 22.344 10.182
596 HB3 ASN 73 2HB ASN 73 22.813 23.956 10.338
597 HD21 ASN 73 2HD2 ASN 73 23.344 24.847 12.183
598 HD22 ASN 73 1HD2 ASN 73 23.459 24.048 13.711
599 H LYS 74 H LYS 74 20.026 23.658 8.564
600 HA LYS 74 HA LYS 74 18.896 25.580 10.418
601 HB2 LYS 74 1HB LYS 74 19.363 25.432 7.561
602 HB3 LYS 74 2HB LYS 74 17.721 25.957 7.908
603 HG2 LYS 74 1HG LYS 74 18.392 27.965 8.608
604 HG3 LYS 74 2HG LYS 74 19.728 27.293 9.546
605 HD2 LYS 74 1HD LYS 74 20.693 28.653 7.856
606 HD3 LYS 74 2HD LYS 74 20.953 26.977 7.368
607 HE2 LYS 74 1HE LYS 74 19.734 27.226 5.512
608 HE3 LYS 74 2HE LYS 74 18.443 28.059 6.375
609 HZ1 LYS 74 3HZ LYS 74 20.309 29.162 4.642
610 HZ2 LYS 74 1HZ LYS 74 20.691 29.746 6.183
611 HZ3 LYS 74 2HZ LYS 74 19.139 29.976 5.552
612 H GLY 75 H GLY 75 17.980 22.644 8.861
613 HA2 GLY 75 1HA GLY 75 15.966 21.723 10.191
614 HA3 GLY 75 2HA GLY 75 15.145 23.112 9.495
615 H LYS 76 H LYS 76 17.216 22.356 7.162
616 HA LYS 76 HA LYS 76 15.215 21.039 5.580
617 HB2 LYS 76 1HB LYS 76 18.065 21.852 5.003
618 HB3 LYS 76 2HB LYS 76 17.022 21.080 3.815
619 HG2 LYS 76 1HG LYS 76 16.512 23.724 5.165
620 HG3 LYS 76 2HG LYS 76 17.071 23.488 3.507
621 HD2 LYS 76 1HD LYS 76 14.898 22.015 3.332
622 HD3 LYS 76 2HD LYS 76 14.379 23.007 4.697
623 HE2 LYS 76 1HE LYS 76 14.483 24.981 3.450
624 HE3 LYS 76 2HE LYS 76 15.501 24.251 2.209
625 HZ1 LYS 76 3HZ LYS 76 13.657 22.967 1.434
626 HZ2 LYS 76 1HZ LYS 76 13.172 24.586 1.512
627 HZ3 LYS 76 2HZ LYS 76 12.673 23.496 2.705
628 H LEU 77 H LEU 77 17.308 19.892 7.829
629 HA LEU 77 HA LEU 77 18.573 17.693 6.739
630 HB2 LEU 77 1HB LEU 77 18.266 16.662 9.029
631 HB3 LEU 77 2HB LEU 77 19.069 18.230 8.965
632 HG LEU 77 HG LEU 77 16.453 18.931 9.382
633 HD11 LEU 77 1HD1 LEU 77 16.578 16.200 9.987
634 HD12 LEU 77 2HD1 LEU 77 15.285 17.333 10.379
635 HD13 LEU 77 3HD1 LEU 77 16.583 17.042 11.537
636 HD21 LEU 77 3HD2 LEU 77 18.894 18.672 11.029
637 HD22 LEU 77 1HD2 LEU 77 17.376 18.915 11.892
638 HD23 LEU 77 2HD2 LEU 77 17.900 20.087 10.683
639 H ASP 78 H ASP 78 15.242 17.966 7.911
640 HA ASP 78 HA ASP 78 14.435 15.334 7.725
641 HB2 ASP 78 1HB ASP 78 12.164 16.178 7.460
642 HB3 ASP 78 2HB ASP 78 13.038 17.159 8.633
643 H SER 79 H SER 79 14.537 17.785 5.165
644 HA SER 79 HA SER 79 13.445 16.114 3.148
645 HB2 SER 79 1HB SER 79 13.380 18.527 2.901
646 HB3 SER 79 2HB SER 79 15.141 18.613 2.942
647 HG SER 79 HG SER 79 13.440 17.742 0.901
648 H LEU 80 H LEU 80 16.784 17.093 3.892
649 HA LEU 80 HA LEU 80 18.084 15.707 1.873
650 HB2 LEU 80 1HB LEU 80 18.810 16.788 4.510
651 HB3 LEU 80 2HB LEU 80 19.862 15.507 3.911
652 HG LEU 80 HG LEU 80 20.619 17.852 3.426
653 HD11 LEU 80 1HD1 LEU 80 20.093 16.192 0.970
654 HD12 LEU 80 2HD1 LEU 80 21.341 15.824 2.160
655 HD13 LEU 80 3HD1 LEU 80 21.414 17.328 1.241
656 HD21 LEU 80 3HD2 LEU 80 19.393 19.306 2.242
657 HD22 LEU 80 1HD2 LEU 80 18.031 18.276 2.681
658 HD23 LEU 80 2HD2 LEU 80 18.826 18.067 1.121
659 H LEU 81 H LEU 81 17.249 14.597 5.145
660 HA LEU 81 HA LEU 81 18.360 12.020 4.891
661 HB2 LEU 81 1HB LEU 81 16.464 13.362 6.723
662 HB3 LEU 81 2HB LEU 81 16.423 11.600 6.692
663 HG LEU 81 HG LEU 81 19.047 11.929 7.013
664 HD11 LEU 81 1HD1 LEU 81 17.821 14.382 8.262
665 HD12 LEU 81 2HD1 LEU 81 19.015 14.342 6.966
666 HD13 LEU 81 3HD1 LEU 81 19.450 13.787 8.582
667 HD21 LEU 81 3HD2 LEU 81 18.585 11.811 9.501
668 HD22 LEU 81 1HD2 LEU 81 17.795 10.592 8.501
669 HD23 LEU 81 2HD2 LEU 81 16.876 11.975 9.095
670 H GLN 82 H GLN 82 15.043 13.204 4.423
671 HA GLN 82 HA GLN 82 13.886 10.730 3.779
672 HB2 GLN 82 1HB GLN 82 13.137 13.572 3.145
673 HB3 GLN 82 2HB GLN 82 12.183 12.223 2.546
674 HG2 GLN 82 1HG GLN 82 12.768 12.794 5.443
675 HG3 GLN 82 2HG GLN 82 11.265 13.176 4.603
676 HE21 GLN 82 2HE2 GLN 82 13.218 10.690 6.001
677 HE22 GLN 82 1HE2 GLN 82 12.041 9.428 5.922
678 H ASP 83 H ASP 83 15.863 12.888 1.943
679 HA ASP 83 HA ASP 83 15.143 11.710 -0.608
680 HB2 ASP 83 1HB ASP 83 17.074 13.861 0.234
681 HB3 ASP 83 2HB ASP 83 17.086 13.206 -1.401
682 H VAL 84 H VAL 84 18.228 12.101 1.148
683 HA VAL 84 HA VAL 84 19.749 10.339 -0.334
684 HB VAL 84 HB VAL 84 21.184 10.084 1.664
685 HG11 VAL 84 1HG1 VAL 84 20.285 12.661 0.568
686 HG12 VAL 84 2HG1 VAL 84 21.193 12.757 2.079
687 HG13 VAL 84 3HG1 VAL 84 21.905 11.971 0.669
688 HG21 VAL 84 3HG2 VAL 84 20.012 11.907 3.453
689 HG22 VAL 84 1HG2 VAL 84 18.748 10.757 3.015
690 HG23 VAL 84 2HG2 VAL 84 20.272 10.179 3.688
691 H HIS 85 H HIS 85 17.393 9.664 2.153
692 HA HIS 85 HA HIS 85 18.100 7.026 2.772
693 HB2 HIS 85 1HB HIS 85 15.619 8.657 2.978
694 HB3 HIS 85 2HB HIS 85 15.454 6.910 3.124
695 HD1 HIS 85 HD1 HIS 85 15.010 9.024 5.455
696 HD2 HIS 85 HD2 HIS 85 18.388 6.676 4.873
697 HE1 HIS 85 HE1 HIS 85 16.111 8.859 7.710
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