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 |
|
|
563957 |
2lqb   |
18301 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855
2 HA ALA 1 HA ALA 1 1.681 -0.764 -1.886
3 HB1 ALA 1 HB1 ALA 1 2.867 1.905 -1.828
4 HB2 ALA 1 HB2 ALA 1 1.767 1.175 -2.998
5 HB3 ALA 1 HB3 ALA 1 1.131 1.889 -1.517
6 H GLY 2 H GLY 2 3.526 -1.780 -2.345
7 HA2 GLY 2 HA2 GLY 2 5.639 -1.970 -0.499
8 HA3 GLY 2 HA3 GLY 2 5.685 -2.535 -2.162
9 H HIS 3 H HIS 3 5.376 -0.135 -3.525
10 HA HIS 3 HA HIS 3 7.970 0.803 -3.715
11 HB2 HIS 3 HB2 HIS 3 6.108 1.127 -5.387
12 HB3 HIS 3 HB3 HIS 3 5.514 2.437 -4.370
13 HD1 HIS 3 HD1 HIS 3 9.147 1.799 -5.206
14 HD2 HIS 3 HD2 HIS 3 6.135 4.550 -5.997
15 HE1 HIS 3 HE1 HIS 3 10.269 3.693 -6.422
16 H MET 4 H MET 4 8.975 2.771 -3.094
17 HA MET 4 HA MET 4 8.236 3.610 -0.423
18 HB2 MET 4 HB2 MET 4 10.615 3.937 -2.187
19 HB3 MET 4 HB3 MET 4 10.367 5.126 -0.915
20 HG2 MET 4 HG2 MET 4 10.547 3.513 0.779
21 HG3 MET 4 HG3 MET 4 10.357 2.181 -0.359
22 HE1 MET 4 HE1 MET 4 13.294 1.365 1.130
23 HE2 MET 4 HE2 MET 4 13.862 2.963 1.614
24 HE3 MET 4 HE3 MET 4 12.183 2.500 1.898
25 H GLN 5 H GLN 5 6.643 5.062 -0.276
26 HA GLN 5 HA GLN 5 6.170 7.036 -2.308
27 HB2 GLN 5 HB2 GLN 5 4.472 5.847 -0.710
28 HB3 GLN 5 HB3 GLN 5 4.908 7.133 0.407
29 HG2 GLN 5 HG2 GLN 5 4.327 8.749 -1.458
30 HG3 GLN 5 HG3 GLN 5 3.600 7.370 -2.281
31 HE21 GLN 5 HE21 GLN 5 1.533 8.189 -2.188
32 HE22 GLN 5 HE22 GLN 5 0.637 8.305 -0.716
33 H GLU 6 H GLU 6 8.109 6.848 0.484
34 HA GLU 6 HA GLU 6 8.122 9.417 1.494
35 HB2 GLU 6 HB2 GLU 6 10.360 8.972 2.294
36 HB3 GLU 6 HB3 GLU 6 9.390 7.513 2.444
37 HG2 GLU 6 HG2 GLU 6 10.435 6.532 0.540
38 HG3 GLU 6 HG3 GLU 6 11.262 8.039 0.152
39 H ALA 7 H ALA 7 9.079 11.333 0.963
40 HA ALA 7 HA ALA 7 10.452 11.453 -1.643
41 HB1 ALA 7 HB1 ALA 7 8.271 13.173 -0.540
42 HB2 ALA 7 HB2 ALA 7 9.424 13.839 -1.697
43 HB3 ALA 7 HB3 ALA 7 8.430 12.452 -2.142
44 H VAL 8 H VAL 8 12.153 12.909 -1.852
45 HA VAL 8 HA VAL 8 13.095 14.124 0.665
46 HB VAL 8 HB VAL 8 14.893 13.074 -1.518
47 HG11 VAL 8 HG11 VAL 8 15.436 13.886 1.337
48 HG12 VAL 8 HG12 VAL 8 16.628 13.255 0.198
49 HG13 VAL 8 HG13 VAL 8 15.856 14.813 -0.103
50 HG21 VAL 8 HG21 VAL 8 14.273 11.035 -0.814
51 HG22 VAL 8 HG22 VAL 8 15.268 11.395 0.597
52 HG23 VAL 8 HG23 VAL 8 13.526 11.661 0.656
53 H VAL 9 H VAL 9 13.758 16.205 0.604
54 HA VAL 9 HA VAL 9 13.799 17.534 -2.029
55 HB VAL 9 HB VAL 9 12.930 18.806 0.567
56 HG11 VAL 9 HG11 VAL 9 12.805 19.738 -2.298
57 HG12 VAL 9 HG12 VAL 9 12.068 20.575 -0.930
58 HG13 VAL 9 HG13 VAL 9 13.821 20.396 -1.017
59 HG21 VAL 9 HG21 VAL 9 11.212 17.297 0.155
60 HG22 VAL 9 HG22 VAL 9 10.650 18.762 -0.650
61 HG23 VAL 9 HG23 VAL 9 11.360 17.453 -1.596
62 H LYS 10 H LYS 10 15.533 18.746 -2.507
63 HA LYS 10 HA LYS 10 17.566 19.090 -0.406
64 HB2 LYS 10 HB2 LYS 10 19.129 19.371 -2.413
65 HB3 LYS 10 HB3 LYS 10 18.509 17.756 -2.096
66 HG2 LYS 10 HG2 LYS 10 16.954 19.445 -3.960
67 HG3 LYS 10 HG3 LYS 10 18.520 18.852 -4.520
68 HD2 LYS 10 HD2 LYS 10 17.538 16.586 -3.478
69 HD3 LYS 10 HD3 LYS 10 16.024 17.375 -3.925
70 HE2 LYS 10 HE2 LYS 10 16.568 16.169 -5.832
71 HE3 LYS 10 HE3 LYS 10 17.173 17.783 -6.199
72 HZ1 LYS 10 HZ1 LYS 10 19.334 17.120 -6.008
73 HZ2 LYS 10 HZ2 LYS 10 18.650 15.685 -6.586
74 HZ3 LYS 10 HZ3 LYS 10 18.988 15.857 -4.937
75 H LEU 11 H LEU 11 18.174 21.081 0.177
76 HA LEU 11 HA LEU 11 17.358 23.338 -1.531
77 HB2 LEU 11 HB2 LEU 11 17.470 23.450 1.469
78 HB3 LEU 11 HB3 LEU 11 16.752 24.617 0.361
79 HG LEU 11 HG LEU 11 15.656 21.834 0.638
80 HD11 LEU 11 HD11 LEU 11 15.052 24.249 2.331
81 HD12 LEU 11 HD12 LEU 11 15.613 22.666 2.868
82 HD13 LEU 11 HD13 LEU 11 13.989 22.847 2.205
83 HD21 LEU 11 HD21 LEU 11 13.580 23.454 0.113
84 HD22 LEU 11 HD22 LEU 11 14.558 22.691 -1.141
85 HD23 LEU 11 HD23 LEU 11 14.873 24.362 -0.670
86 H ARG 12 H ARG 12 18.800 24.999 -1.780
87 HA ARG 12 HA ARG 12 21.546 24.414 -1.171
88 HB2 ARG 12 HB2 ARG 12 20.534 25.598 -3.267
89 HB3 ARG 12 HB3 ARG 12 20.607 27.042 -2.266
90 HG2 ARG 12 HG2 ARG 12 22.893 27.099 -2.267
91 HG3 ARG 12 HG3 ARG 12 23.045 25.358 -2.516
92 HD2 ARG 12 HD2 ARG 12 22.767 25.519 -4.784
93 HD3 ARG 12 HD3 ARG 12 21.803 26.991 -4.669
94 HE ARG 12 HE ARG 12 24.337 27.678 -3.832
95 HH11 ARG 12 HH11 ARG 12 22.882 26.392 -6.721
96 HH12 ARG 12 HH12 ARG 12 24.049 27.105 -7.784
97 HH21 ARG 12 HH21 ARG 12 25.880 28.623 -5.221
98 HH22 ARG 12 HH22 ARG 12 25.755 28.373 -6.930
99 H VAL 13 H VAL 13 22.654 25.045 0.555
100 HA VAL 13 HA VAL 13 21.411 26.820 2.485
101 HB VAL 13 HB VAL 13 24.132 25.566 2.761
102 HG11 VAL 13 HG11 VAL 13 22.672 27.283 4.370
103 HG12 VAL 13 HG12 VAL 13 22.421 25.695 5.097
104 HG13 VAL 13 HG13 VAL 13 24.058 26.308 4.860
105 HG21 VAL 13 HG21 VAL 13 22.441 23.902 4.127
106 HG22 VAL 13 HG22 VAL 13 21.523 24.251 2.661
107 HG23 VAL 13 HG23 VAL 13 23.144 23.566 2.545
108 H GLU 14 H GLU 14 21.802 28.924 2.607
109 HA GLU 14 HA GLU 14 24.151 30.000 1.208
110 HB2 GLU 14 HB2 GLU 14 21.400 30.831 1.404
111 HB3 GLU 14 HB3 GLU 14 22.456 32.111 1.983
112 HG2 GLU 14 HG2 GLU 14 23.779 31.618 -0.211
113 HG3 GLU 14 HG3 GLU 14 22.253 30.905 -0.732
114 H GLY 15 H GLY 15 23.191 29.170 4.249
115 HA2 GLY 15 HA2 GLY 15 24.559 31.416 5.560
116 HA3 GLY 15 HA3 GLY 15 23.539 30.228 6.359
117 H MET 16 H MET 16 25.062 28.156 4.641
118 HA MET 16 HA MET 16 26.730 27.155 6.590
119 HB2 MET 16 HB2 MET 16 25.934 26.299 4.142
120 HB3 MET 16 HB3 MET 16 27.623 26.667 3.818
121 HG2 MET 16 HG2 MET 16 27.471 24.372 4.409
122 HG3 MET 16 HG3 MET 16 28.241 25.225 5.744
123 HE1 MET 16 HE1 MET 16 24.740 23.990 4.415
124 HE2 MET 16 HE2 MET 16 25.757 22.612 4.839
125 HE3 MET 16 HE3 MET 16 24.299 22.954 5.772
126 H THR 17 H THR 17 28.897 27.289 7.071
127 HA THR 17 HA THR 17 30.556 29.150 5.542
128 HB THR 17 HB THR 17 31.263 30.403 7.459
129 HG1 THR 17 HG1 THR 17 30.506 29.929 9.531
130 HG21 THR 17 HG21 THR 17 29.393 31.715 7.766
131 HG22 THR 17 HG22 THR 17 28.312 30.329 7.911
132 HG23 THR 17 HG23 THR 17 28.926 30.807 6.328
133 H CYS 18 H CYS 18 32.780 29.235 7.072
134 HA CYS 18 HA CYS 18 34.092 26.865 6.526
135 HB2 CYS 18 HB2 CYS 18 35.061 29.172 7.131
136 HB3 CYS 18 HB3 CYS 18 34.907 28.655 8.806
137 HG CYS 18 HG CYS 18 37.506 28.180 8.384
138 H GLN 19 H GLN 19 32.158 27.729 9.278
139 HA GLN 19 HA GLN 19 33.066 25.896 11.168
140 HB2 GLN 19 HB2 GLN 19 30.258 26.910 10.695
141 HB3 GLN 19 HB3 GLN 19 30.783 26.055 12.139
142 HG2 GLN 19 HG2 GLN 19 32.499 27.897 12.430
143 HG3 GLN 19 HG3 GLN 19 31.608 28.777 11.189
144 HE21 GLN 19 HE21 GLN 19 31.102 30.410 12.669
145 HE22 GLN 19 HE22 GLN 19 29.895 30.191 13.885
146 H SER 20 H SER 20 31.401 24.088 11.956
147 HA SER 20 HA SER 20 30.789 22.390 9.627
148 HB2 SER 20 HB2 SER 20 31.425 20.442 11.159
149 HB3 SER 20 HB3 SER 20 32.752 21.430 10.548
150 HG SER 20 HG SER 20 31.901 21.044 13.113
151 H CYS 21 H CYS 21 28.811 23.920 10.571
152 HA CYS 21 HA CYS 21 27.323 22.886 12.723
153 HB2 CYS 21 HB2 CYS 21 27.105 25.104 11.237
154 HB3 CYS 21 HB3 CYS 21 25.872 24.130 10.446
155 HG CYS 21 HG CYS 21 25.914 25.339 13.619
156 H VAL 22 H VAL 22 27.886 21.656 9.613
157 HA VAL 22 HA VAL 22 25.574 20.395 8.855
158 HB VAL 22 HB VAL 22 28.387 19.305 8.716
159 HG11 VAL 22 HG11 VAL 22 25.812 18.181 7.867
160 HG12 VAL 22 HG12 VAL 22 27.067 18.185 6.625
161 HG13 VAL 22 HG13 VAL 22 27.356 17.385 8.171
162 HG21 VAL 22 HG21 VAL 22 26.802 21.200 7.093
163 HG22 VAL 22 HG22 VAL 22 28.542 21.123 7.371
164 HG23 VAL 22 HG23 VAL 22 27.785 20.033 6.209
165 H SER 23 H SER 23 27.960 19.246 11.217
166 HA SER 23 HA SER 23 26.708 16.782 11.766
167 HB2 SER 23 HB2 SER 23 28.971 18.253 12.733
168 HB3 SER 23 HB3 SER 23 28.043 17.661 14.111
169 HG SER 23 HG SER 23 29.693 16.207 13.168
170 H SER 24 H SER 24 26.337 19.999 13.154
171 HA SER 24 HA SER 24 24.677 19.224 15.318
172 HB2 SER 24 HB2 SER 24 25.475 21.776 14.033
173 HB3 SER 24 HB3 SER 24 23.969 21.799 14.950
174 HG SER 24 HG SER 24 26.410 20.788 15.976
175 H ILE 25 H ILE 25 24.012 20.352 12.034
176 HA ILE 25 HA ILE 25 21.208 20.531 12.302
177 HB ILE 25 HB ILE 25 22.813 20.000 9.799
178 HG12 ILE 25 HG12 ILE 25 21.749 22.650 10.769
179 HG13 ILE 25 HG13 ILE 25 23.368 22.087 11.165
180 HG21 ILE 25 HG21 ILE 25 20.886 20.880 8.605
181 HG22 ILE 25 HG22 ILE 25 20.433 19.472 9.564
182 HG23 ILE 25 HG23 ILE 25 20.022 21.091 10.128
183 HD11 ILE 25 HD11 ILE 25 23.397 23.602 9.271
184 HD12 ILE 25 HD12 ILE 25 23.912 21.985 8.790
185 HD13 ILE 25 HD13 ILE 25 22.288 22.548 8.395
186 H GLU 26 H GLU 26 23.363 17.865 11.714
187 HA GLU 26 HA GLU 26 21.522 16.038 10.618
188 HB2 GLU 26 HB2 GLU 26 24.234 16.012 11.430
189 HB3 GLU 26 HB3 GLU 26 23.441 14.681 12.261
190 HG2 GLU 26 HG2 GLU 26 22.478 14.132 9.915
191 HG3 GLU 26 HG3 GLU 26 23.809 15.133 9.336
192 H GLY 27 H GLY 27 22.385 16.819 13.954
193 HA2 GLY 27 HA2 GLY 27 20.913 14.737 15.180
194 HA3 GLY 27 HA3 GLY 27 21.429 16.227 15.957
195 H LYS 28 H LYS 28 19.992 17.893 13.993
196 HA LYS 28 HA LYS 28 17.644 18.356 15.363
197 HB2 LYS 28 HB2 LYS 28 18.873 19.290 12.945
198 HB3 LYS 28 HB3 LYS 28 17.152 19.057 12.664
199 HG2 LYS 28 HG2 LYS 28 17.346 21.274 13.364
200 HG3 LYS 28 HG3 LYS 28 16.790 20.404 14.796
201 HD2 LYS 28 HD2 LYS 28 19.066 20.333 15.657
202 HD3 LYS 28 HD3 LYS 28 19.657 21.143 14.204
203 HE2 LYS 28 HE2 LYS 28 18.005 23.011 14.826
204 HE3 LYS 28 HE3 LYS 28 17.944 22.241 16.411
205 HZ1 LYS 28 HZ1 LYS 28 20.196 23.601 15.095
206 HZ2 LYS 28 HZ2 LYS 28 20.507 22.402 16.247
207 HZ3 LYS 28 HZ3 LYS 28 19.616 23.775 16.675
208 H VAL 29 H VAL 29 18.233 16.174 12.668
209 HA VAL 29 HA VAL 29 15.635 15.552 11.930
210 HB VAL 29 HB VAL 29 17.793 14.748 10.850
211 HG11 VAL 29 HG11 VAL 29 18.942 12.926 11.645
212 HG12 VAL 29 HG12 VAL 29 18.476 13.705 13.158
213 HG13 VAL 29 HG13 VAL 29 17.564 12.318 12.561
214 HG21 VAL 29 HG21 VAL 29 15.217 13.425 11.086
215 HG22 VAL 29 HG22 VAL 29 16.189 13.758 9.653
216 HG23 VAL 29 HG23 VAL 29 16.507 12.317 10.619
217 H ARG 30 H ARG 30 17.474 14.520 14.717
218 HA ARG 30 HA ARG 30 15.881 12.334 15.492
219 HB2 ARG 30 HB2 ARG 30 18.086 12.693 16.445
220 HB3 ARG 30 HB3 ARG 30 17.562 14.213 17.158
221 HG2 ARG 30 HG2 ARG 30 17.595 12.614 18.896
222 HG3 ARG 30 HG3 ARG 30 15.899 12.895 18.499
223 HD2 ARG 30 HD2 ARG 30 17.392 10.671 17.175
224 HD3 ARG 30 HD3 ARG 30 16.784 10.462 18.816
225 HE ARG 30 HE ARG 30 15.236 10.575 16.387
226 HH11 ARG 30 HH11 ARG 30 15.205 10.923 19.851
227 HH12 ARG 30 HH12 ARG 30 13.506 10.617 19.998
228 HH21 ARG 30 HH21 ARG 30 12.998 10.172 16.567
229 HH22 ARG 30 HH22 ARG 30 12.252 10.189 18.129
230 H LYS 31 H LYS 31 15.404 15.747 15.725
231 HA LYS 31 HA LYS 31 13.259 15.468 17.681
232 HB2 LYS 31 HB2 LYS 31 14.355 17.927 16.303
233 HB3 LYS 31 HB3 LYS 31 13.145 17.930 17.579
234 HG2 LYS 31 HG2 LYS 31 15.715 16.571 18.146
235 HG3 LYS 31 HG3 LYS 31 15.723 18.334 18.053
236 HD2 LYS 31 HD2 LYS 31 13.607 18.078 19.611
237 HD3 LYS 31 HD3 LYS 31 14.367 16.533 20.001
238 HE2 LYS 31 HE2 LYS 31 16.438 17.725 20.587
239 HE3 LYS 31 HE3 LYS 31 15.642 19.258 20.237
240 HZ1 LYS 31 HZ1 LYS 31 15.114 17.373 22.446
241 HZ2 LYS 31 HZ2 LYS 31 13.943 18.494 21.965
242 HZ3 LYS 31 HZ3 LYS 31 15.447 19.030 22.524
243 H LEU 32 H LEU 32 13.685 15.478 14.319
244 HA LEU 32 HA LEU 32 11.155 16.614 13.598
245 HB2 LEU 32 HB2 LEU 32 13.440 15.387 12.222
246 HB3 LEU 32 HB3 LEU 32 11.881 15.123 11.443
247 HG LEU 32 HG LEU 32 12.980 17.039 10.469
248 HD11 LEU 32 HD11 LEU 32 11.220 18.626 10.641
249 HD12 LEU 32 HD12 LEU 32 10.755 18.033 12.235
250 HD13 LEU 32 HD13 LEU 32 10.498 17.026 10.810
251 HD21 LEU 32 HD21 LEU 32 14.380 17.597 12.434
252 HD22 LEU 32 HD22 LEU 32 12.952 18.266 13.223
253 HD23 LEU 32 HD23 LEU 32 13.565 18.999 11.740
254 H GLN 33 H GLN 33 9.242 15.621 13.210
255 HA GLN 33 HA GLN 33 8.949 12.905 14.179
256 HB2 GLN 33 HB2 GLN 33 7.346 14.643 14.864
257 HB3 GLN 33 HB3 GLN 33 6.872 14.864 13.185
258 HG2 GLN 33 HG2 GLN 33 5.776 12.827 13.090
259 HG3 GLN 33 HG3 GLN 33 6.645 12.183 14.481
260 HE21 GLN 33 HE21 GLN 33 4.020 11.839 14.485
261 HE22 GLN 33 HE22 GLN 33 3.240 12.902 15.602
262 H GLY 34 H GLY 34 7.460 14.503 11.363
263 HA2 GLY 34 HA2 GLY 34 7.064 12.131 9.921
264 HA3 GLY 34 HA3 GLY 34 7.067 13.748 9.233
265 H VAL 35 H VAL 35 9.584 14.614 9.484
266 HA VAL 35 HA VAL 35 10.971 13.626 7.375
267 HB VAL 35 HB VAL 35 11.567 15.386 9.525
268 HG11 VAL 35 HG11 VAL 35 13.009 13.649 10.430
269 HG12 VAL 35 HG12 VAL 35 13.824 13.493 8.873
270 HG13 VAL 35 HG13 VAL 35 13.971 14.986 9.801
271 HG21 VAL 35 HG21 VAL 35 12.963 16.450 7.923
272 HG22 VAL 35 HG22 VAL 35 13.148 14.961 6.997
273 HG23 VAL 35 HG23 VAL 35 11.589 15.784 7.040
274 H VAL 36 H VAL 36 12.291 11.952 6.912
275 HA VAL 36 HA VAL 36 12.481 9.818 8.887
276 HB VAL 36 HB VAL 36 13.516 9.639 6.074
277 HG11 VAL 36 HG11 VAL 36 12.701 7.752 8.225
278 HG12 VAL 36 HG12 VAL 36 12.485 7.259 6.544
279 HG13 VAL 36 HG13 VAL 36 14.088 7.695 7.138
280 HG21 VAL 36 HG21 VAL 36 11.237 8.759 5.470
281 HG22 VAL 36 HG22 VAL 36 10.653 9.442 6.988
282 HG23 VAL 36 HG23 VAL 36 11.325 10.499 5.746
283 H ARG 37 H ARG 37 14.623 11.745 6.812
284 HA ARG 37 HA ARG 37 16.711 11.714 8.756
285 HB2 ARG 37 HB2 ARG 37 16.673 9.476 7.154
286 HB3 ARG 37 HB3 ARG 37 17.791 10.533 6.302
287 HG2 ARG 37 HG2 ARG 37 19.349 10.455 7.959
288 HG3 ARG 37 HG3 ARG 37 18.147 10.215 9.229
289 HD2 ARG 37 HD2 ARG 37 18.572 8.079 7.191
290 HD3 ARG 37 HD3 ARG 37 19.735 8.262 8.503
291 HE ARG 37 HE ARG 37 17.116 7.159 8.683
292 HH11 ARG 37 HH11 ARG 37 19.507 8.979 10.440
293 HH12 ARG 37 HH12 ARG 37 18.938 8.474 11.996
294 HH21 ARG 37 HH21 ARG 37 16.357 6.486 10.726
295 HH22 ARG 37 HH22 ARG 37 17.147 7.054 12.158
296 H VAL 38 H VAL 38 18.559 13.001 8.104
297 HA VAL 38 HA VAL 38 18.030 14.708 5.762
298 HB VAL 38 HB VAL 38 19.038 15.650 8.451
299 HG11 VAL 38 HG11 VAL 38 19.049 17.860 7.525
300 HG12 VAL 38 HG12 VAL 38 20.007 16.817 6.473
301 HG13 VAL 38 HG13 VAL 38 18.370 17.279 6.005
302 HG21 VAL 38 HG21 VAL 38 16.526 16.649 7.215
303 HG22 VAL 38 HG22 VAL 38 16.502 15.061 7.983
304 HG23 VAL 38 HG23 VAL 38 16.962 16.485 8.916
305 H LYS 39 H LYS 39 19.669 14.794 4.381
306 HA LYS 39 HA LYS 39 22.357 14.072 5.349
307 HB2 LYS 39 HB2 LYS 39 21.462 12.427 3.785
308 HB3 LYS 39 HB3 LYS 39 21.144 13.691 2.605
309 HG2 LYS 39 HG2 LYS 39 23.112 12.670 1.875
310 HG3 LYS 39 HG3 LYS 39 23.645 14.156 2.666
311 HD2 LYS 39 HD2 LYS 39 24.053 12.812 4.735
312 HD3 LYS 39 HD3 LYS 39 23.703 11.360 3.795
313 HE2 LYS 39 HE2 LYS 39 25.749 13.292 2.801
314 HE3 LYS 39 HE3 LYS 39 26.169 12.190 4.112
315 HZ1 LYS 39 HZ1 LYS 39 24.942 10.599 2.269
316 HZ2 LYS 39 HZ2 LYS 39 26.610 10.725 2.518
317 HZ3 LYS 39 HZ3 LYS 39 25.861 11.656 1.320
318 H VAL 40 H VAL 40 23.820 15.638 5.312
319 HA VAL 40 HA VAL 40 23.365 17.943 3.533
320 HB VAL 40 HB VAL 40 24.815 17.819 6.179
321 HG11 VAL 40 HG11 VAL 40 26.018 19.322 4.754
322 HG12 VAL 40 HG12 VAL 40 24.522 20.091 4.220
323 HG13 VAL 40 HG13 VAL 40 25.066 20.280 5.887
324 HG21 VAL 40 HG21 VAL 40 22.281 19.214 5.324
325 HG22 VAL 40 HG22 VAL 40 22.408 17.841 6.424
326 HG23 VAL 40 HG23 VAL 40 23.064 19.409 6.892
327 H SER 41 H SER 41 24.853 18.424 2.042
328 HA SER 41 HA SER 41 27.370 16.899 2.082
329 HB2 SER 41 HB2 SER 41 26.020 16.384 0.137
330 HB3 SER 41 HB3 SER 41 25.839 18.098 -0.238
331 HG SER 41 HG SER 41 28.202 16.536 -0.344
332 H LEU 42 H LEU 42 28.931 18.115 2.943
333 HA LEU 42 HA LEU 42 28.974 20.949 2.873
334 HB2 LEU 42 HB2 LEU 42 30.052 19.582 4.623
335 HB3 LEU 42 HB3 LEU 42 31.235 19.035 3.436
336 HG LEU 42 HG LEU 42 31.921 20.881 5.077
337 HD11 LEU 42 HD11 LEU 42 32.537 22.041 2.511
338 HD12 LEU 42 HD12 LEU 42 32.659 20.282 2.460
339 HD13 LEU 42 HD13 LEU 42 33.589 21.197 3.647
340 HD21 LEU 42 HD21 LEU 42 31.279 23.102 4.613
341 HD22 LEU 42 HD22 LEU 42 29.781 22.172 4.665
342 HD23 LEU 42 HD23 LEU 42 30.476 22.640 3.112
343 H SER 43 H SER 43 30.267 18.467 0.801
344 HA SER 43 HA SER 43 32.136 20.107 -0.583
345 HB2 SER 43 HB2 SER 43 31.633 17.415 -0.502
346 HB3 SER 43 HB3 SER 43 30.996 17.850 -2.087
347 HG SER 43 HG SER 43 33.153 19.042 -2.212
348 H ASN 44 H ASN 44 28.727 19.449 -0.932
349 HA ASN 44 HA ASN 44 28.642 20.966 -3.440
350 HB2 ASN 44 HB2 ASN 44 27.395 18.645 -2.804
351 HB3 ASN 44 HB3 ASN 44 26.146 19.804 -2.359
352 HD21 ASN 44 HD21 ASN 44 27.960 18.392 -4.936
353 HD22 ASN 44 HD22 ASN 44 27.042 19.068 -6.235
354 H GLN 45 H GLN 45 28.485 21.564 -0.227
355 HA GLN 45 HA GLN 45 27.586 23.191 1.095
356 HB2 GLN 45 HB2 GLN 45 27.370 24.800 -1.445
357 HB3 GLN 45 HB3 GLN 45 27.630 25.392 0.191
358 HG2 GLN 45 HG2 GLN 45 29.823 24.092 0.126
359 HG3 GLN 45 HG3 GLN 45 29.558 23.976 -1.613
360 HE21 GLN 45 HE21 GLN 45 31.340 25.212 -2.125
361 HE22 GLN 45 HE22 GLN 45 31.409 26.915 -1.839
362 H GLU 46 H GLU 46 25.700 21.318 0.234
363 HA GLU 46 HA GLU 46 23.288 22.997 0.140
364 HB2 GLU 46 HB2 GLU 46 22.312 21.808 -1.554
365 HB3 GLU 46 HB3 GLU 46 23.996 21.657 -2.034
366 HG2 GLU 46 HG2 GLU 46 24.006 19.473 -0.733
367 HG3 GLU 46 HG3 GLU 46 22.249 19.619 -0.700
368 H ALA 47 H ALA 47 21.306 21.685 0.797
369 HA ALA 47 HA ALA 47 21.992 19.707 2.863
370 HB1 ALA 47 HB1 ALA 47 21.631 21.882 3.936
371 HB2 ALA 47 HB2 ALA 47 20.024 21.965 3.213
372 HB3 ALA 47 HB3 ALA 47 20.396 20.710 4.395
373 H VAL 48 H VAL 48 20.861 17.888 2.693
374 HA VAL 48 HA VAL 48 18.423 17.910 1.044
375 HB VAL 48 HB VAL 48 20.062 15.482 1.755
376 HG11 VAL 48 HG11 VAL 48 17.561 15.853 0.493
377 HG12 VAL 48 HG12 VAL 48 18.705 15.335 -0.747
378 HG13 VAL 48 HG13 VAL 48 18.468 14.355 0.700
379 HG21 VAL 48 HG21 VAL 48 21.606 16.774 0.568
380 HG22 VAL 48 HG22 VAL 48 20.881 15.739 -0.663
381 HG23 VAL 48 HG23 VAL 48 20.372 17.421 -0.514
382 H ILE 49 H ILE 49 16.522 17.455 1.948
383 HA ILE 49 HA ILE 49 16.516 16.239 4.634
384 HB ILE 49 HB ILE 49 14.493 18.208 3.564
385 HG12 ILE 49 HG12 ILE 49 15.752 19.396 5.709
386 HG13 ILE 49 HG13 ILE 49 17.081 18.583 4.888
387 HG21 ILE 49 HG21 ILE 49 13.249 17.748 5.350
388 HG22 ILE 49 HG22 ILE 49 14.294 16.355 5.622
389 HG23 ILE 49 HG23 ILE 49 14.634 17.884 6.432
390 HD11 ILE 49 HD11 ILE 49 15.355 20.008 3.047
391 HD12 ILE 49 HD12 ILE 49 16.056 21.058 4.279
392 HD13 ILE 49 HD13 ILE 49 17.105 20.081 3.252
393 H THR 50 H THR 50 15.692 14.265 4.617
394 HA THR 50 HA THR 50 13.819 13.497 2.503
395 HB THR 50 HB THR 50 15.247 11.756 4.523
396 HG1 THR 50 HG1 THR 50 16.689 12.664 3.012
397 HG21 THR 50 HG21 THR 50 13.743 10.217 3.911
398 HG22 THR 50 HG22 THR 50 14.518 10.227 2.327
399 HG23 THR 50 HG23 THR 50 13.109 11.244 2.625
400 H TYR 51 H TYR 51 11.712 13.403 2.884
401 HA TYR 51 HA TYR 51 10.775 12.790 5.598
402 HB2 TYR 51 HB2 TYR 51 9.346 14.609 5.728
403 HB3 TYR 51 HB3 TYR 51 10.736 15.317 4.912
404 HD1 TYR 51 HD1 TYR 51 10.579 14.937 2.208
405 HD2 TYR 51 HD2 TYR 51 7.298 15.239 4.900
406 HE1 TYR 51 HE1 TYR 51 9.131 15.650 0.353
407 HE2 TYR 51 HE2 TYR 51 5.840 15.951 3.051
408 HH TYR 51 HH TYR 51 7.043 16.116 -0.279
409 H GLN 52 H GLN 52 8.295 12.424 5.522
410 HA GLN 52 HA GLN 52 7.639 10.908 3.083
411 HB2 GLN 52 HB2 GLN 52 7.382 10.149 5.966
412 HB3 GLN 52 HB3 GLN 52 6.238 9.500 4.799
413 HG2 GLN 52 HG2 GLN 52 8.009 8.476 3.547
414 HG3 GLN 52 HG3 GLN 52 9.226 9.246 4.563
415 HE21 GLN 52 HE21 GLN 52 8.080 6.383 3.946
416 HE22 GLN 52 HE22 GLN 52 8.089 5.649 5.510
417 HA PRO 53 HA PRO 53 4.043 13.460 2.915
418 HB2 PRO 53 HB2 PRO 53 2.601 11.965 1.167
419 HB3 PRO 53 HB3 PRO 53 3.983 12.951 0.675
420 HG2 PRO 53 HG2 PRO 53 3.851 10.009 1.214
421 HG3 PRO 53 HG3 PRO 53 4.673 10.870 -0.101
422 HD2 PRO 53 HD2 PRO 53 5.985 9.949 2.082
423 HD3 PRO 53 HD3 PRO 53 6.480 11.420 1.221
424 H TYR 54 H TYR 54 4.027 10.161 3.946
425 HA TYR 54 HA TYR 54 1.238 10.104 4.667
426 HB2 TYR 54 HB2 TYR 54 2.092 7.988 4.127
427 HB3 TYR 54 HB3 TYR 54 3.558 8.235 5.068
428 HD1 TYR 54 HD2 TYR 54 3.516 8.000 7.515
429 HD2 TYR 54 HD1 TYR 54 0.067 7.197 5.157
430 HE1 TYR 54 HE2 TYR 54 2.500 6.815 9.416
431 HE2 TYR 54 HE1 TYR 54 -0.959 6.011 7.051
432 HH TYR 54 HH TYR 54 -0.271 6.315 10.001
433 H LEU 55 H LEU 55 4.081 11.324 6.053
434 HA LEU 55 HA LEU 55 2.855 11.362 8.730
435 HB2 LEU 55 HB2 LEU 55 5.744 11.689 7.934
436 HB3 LEU 55 HB3 LEU 55 5.126 11.802 9.580
437 HG LEU 55 HG LEU 55 5.073 9.328 7.851
438 HD11 LEU 55 HD11 LEU 55 7.327 10.112 8.673
439 HD12 LEU 55 HD12 LEU 55 6.843 8.491 9.172
440 HD13 LEU 55 HD13 LEU 55 6.729 9.834 10.309
441 HD21 LEU 55 HD21 LEU 55 4.371 8.195 9.903
442 HD22 LEU 55 HD22 LEU 55 3.200 9.417 9.407
443 HD23 LEU 55 HD23 LEU 55 4.309 9.746 10.740
444 H ILE 56 H ILE 56 5.332 13.394 7.192
445 HA ILE 56 HA ILE 56 3.692 15.745 7.879
446 HB ILE 56 HB ILE 56 5.847 15.518 9.143
447 HG12 ILE 56 HG12 ILE 56 5.565 17.906 7.306
448 HG13 ILE 56 HG13 ILE 56 4.769 17.692 8.861
449 HG21 ILE 56 HG21 ILE 56 7.862 15.366 8.149
450 HG22 ILE 56 HG22 ILE 56 6.924 14.749 6.791
451 HG23 ILE 56 HG23 ILE 56 7.409 16.444 6.829
452 HD11 ILE 56 HD11 ILE 56 7.556 18.445 8.240
453 HD12 ILE 56 HD12 ILE 56 6.485 18.997 9.529
454 HD13 ILE 56 HD13 ILE 56 7.291 17.434 9.661
455 H GLN 57 H GLN 57 3.822 17.576 6.455
456 HA GLN 57 HA GLN 57 4.018 16.763 3.673
457 HB2 GLN 57 HB2 GLN 57 2.628 18.853 5.180
458 HB3 GLN 57 HB3 GLN 57 3.308 19.423 3.661
459 HG2 GLN 57 HG2 GLN 57 2.163 17.378 2.617
460 HG3 GLN 57 HG3 GLN 57 1.242 17.308 4.118
461 HE21 GLN 57 HE21 GLN 57 -0.662 17.714 2.938
462 HE22 GLN 57 HE22 GLN 57 -1.050 19.303 2.382
463 HA PRO 58 HA PRO 58 7.765 18.784 2.619
464 HB2 PRO 58 HB2 PRO 58 7.167 20.128 0.338
465 HB3 PRO 58 HB3 PRO 58 7.300 18.367 0.408
466 HG2 PRO 58 HG2 PRO 58 4.849 20.085 0.464
467 HG3 PRO 58 HG3 PRO 58 5.138 18.577 -0.423
468 HD2 PRO 58 HD2 PRO 58 3.734 18.659 1.891
469 HD3 PRO 58 HD3 PRO 58 4.727 17.263 1.426
470 H GLU 59 H GLU 59 5.020 21.027 2.222
471 HA GLU 59 HA GLU 59 6.507 23.394 2.492
472 HB2 GLU 59 HB2 GLU 59 3.614 22.688 2.777
473 HB3 GLU 59 HB3 GLU 59 4.161 24.279 3.288
474 HG2 GLU 59 HG2 GLU 59 5.106 24.630 1.028
475 HG3 GLU 59 HG3 GLU 59 4.413 23.085 0.538
476 H ASP 60 H ASP 60 5.030 21.266 4.857
477 HA ASP 60 HA ASP 60 5.287 22.993 7.089
478 HB2 ASP 60 HB2 ASP 60 4.421 20.286 6.587
479 HB3 ASP 60 HB3 ASP 60 5.439 20.344 8.024
480 H LEU 61 H LEU 61 7.367 20.479 5.725
481 HA LEU 61 HA LEU 61 9.318 20.540 7.772
482 HB2 LEU 61 HB2 LEU 61 10.412 18.989 6.550
483 HB3 LEU 61 HB3 LEU 61 8.854 18.892 5.731
484 HG LEU 61 HG LEU 61 9.976 20.722 4.174
485 HD11 LEU 61 HD11 LEU 61 12.214 19.499 5.671
486 HD12 LEU 61 HD12 LEU 61 12.076 21.095 4.932
487 HD13 LEU 61 HD13 LEU 61 12.423 19.686 3.929
488 HD21 LEU 61 HD21 LEU 61 9.792 19.090 2.675
489 HD22 LEU 61 HD22 LEU 61 9.414 18.006 4.014
490 HD23 LEU 61 HD23 LEU 61 11.076 18.151 3.438
491 H ARG 62 H ARG 62 8.673 22.593 5.076
492 HA ARG 62 HA ARG 62 11.222 23.698 4.664
493 HB2 ARG 62 HB2 ARG 62 9.286 24.002 3.140
494 HB3 ARG 62 HB3 ARG 62 8.541 25.055 4.334
495 HG2 ARG 62 HG2 ARG 62 9.495 26.615 2.985
496 HG3 ARG 62 HG3 ARG 62 10.827 26.350 4.112
497 HD2 ARG 62 HD2 ARG 62 11.705 26.331 1.882
498 HD3 ARG 62 HD3 ARG 62 11.764 24.688 2.519
499 HE ARG 62 HE ARG 62 10.324 24.045 0.868
500 HH11 ARG 62 HH11 ARG 62 10.174 27.507 1.205
501 HH12 ARG 62 HH12 ARG 62 9.152 27.728 -0.177
502 HH21 ARG 62 HH21 ARG 62 8.979 24.323 -0.953
503 HH22 ARG 62 HH22 ARG 62 8.472 25.916 -1.403
504 H ASP 63 H ASP 63 8.602 24.602 6.864
505 HA ASP 63 HA ASP 63 9.816 26.946 7.869
506 HB2 ASP 63 HB2 ASP 63 7.754 25.108 9.102
507 HB3 ASP 63 HB3 ASP 63 8.212 26.674 9.768
508 H HIS 64 H HIS 64 9.960 23.565 8.850
509 HA HIS 64 HA HIS 64 11.299 23.926 11.295
510 HB2 HIS 64 HB2 HIS 64 10.220 21.791 10.105
511 HB3 HIS 64 HB3 HIS 64 11.902 21.508 9.666
512 HD1 HIS 64 HD1 HIS 64 13.497 21.975 12.049
513 HD2 HIS 64 HD2 HIS 64 9.662 20.404 12.341
514 HE1 HIS 64 HE1 HIS 64 13.416 20.808 14.275
515 H VAL 65 H VAL 65 12.478 23.595 7.989
516 HA VAL 65 HA VAL 65 15.192 23.250 8.479
517 HB VAL 65 HB VAL 65 13.937 24.817 6.221
518 HG11 VAL 65 HG11 VAL 65 16.317 25.256 6.412
519 HG12 VAL 65 HG12 VAL 65 16.652 23.524 6.454
520 HG13 VAL 65 HG13 VAL 65 15.991 24.261 4.994
521 HG21 VAL 65 HG21 VAL 65 13.630 22.128 6.860
522 HG22 VAL 65 HG22 VAL 65 13.275 22.894 5.312
523 HG23 VAL 65 HG23 VAL 65 14.850 22.150 5.587
524 H ASN 66 H ASN 66 13.283 26.223 8.325
525 HA ASN 66 HA ASN 66 15.430 28.034 8.501
526 HB2 ASN 66 HB2 ASN 66 13.408 28.991 7.822
527 HB3 ASN 66 HB3 ASN 66 12.496 28.214 9.112
528 HD21 ASN 66 HD21 ASN 66 14.791 30.753 8.367
529 HD22 ASN 66 HD22 ASN 66 14.456 31.724 9.755
530 H ASP 67 H ASP 67 13.791 26.116 10.881
531 HA ASP 67 HA ASP 67 14.387 27.530 13.210
532 HB2 ASP 67 HB2 ASP 67 12.966 25.373 12.841
533 HB3 ASP 67 HB3 ASP 67 14.484 24.531 13.143
534 H MET 68 H MET 68 16.439 25.755 11.092
535 HA MET 68 HA MET 68 18.528 25.186 12.937
536 HB2 MET 68 HB2 MET 68 18.662 25.474 9.930
537 HB3 MET 68 HB3 MET 68 19.885 24.727 10.949
538 HG2 MET 68 HG2 MET 68 18.651 22.838 11.290
539 HG3 MET 68 HG3 MET 68 17.114 23.669 11.064
540 HE1 MET 68 HE1 MET 68 20.378 23.445 9.315
541 HE2 MET 68 HE2 MET 68 20.092 22.540 7.829
542 HE3 MET 68 HE3 MET 68 19.744 24.269 7.890
543 H GLY 69 H GLY 69 17.450 28.058 11.520
544 HA2 GLY 69 HA2 GLY 69 18.262 30.197 12.035
545 HA3 GLY 69 HA3 GLY 69 19.775 29.472 12.558
546 H PHE 70 H PHE 70 19.435 27.948 9.808
547 HA PHE 70 HA PHE 70 20.962 29.956 8.322
548 HB2 PHE 70 HB2 PHE 70 20.649 26.981 7.871
549 HB3 PHE 70 HB3 PHE 70 21.643 28.050 6.887
550 HD1 PHE 70 HD1 PHE 70 21.217 26.718 10.316
551 HD2 PHE 70 HD2 PHE 70 23.834 28.569 7.515
552 HE1 PHE 70 HE1 PHE 70 23.106 26.365 11.853
553 HE2 PHE 70 HE2 PHE 70 25.727 28.218 9.047
554 HZ PHE 70 HZ PHE 70 25.365 27.114 11.218
555 H GLU 71 H GLU 71 20.602 30.136 5.981
556 HA GLU 71 HA GLU 71 17.731 30.081 5.394
557 HB2 GLU 71 HB2 GLU 71 19.859 31.493 3.795
558 HB3 GLU 71 HB3 GLU 71 18.125 31.785 3.786
559 HG2 GLU 71 HG2 GLU 71 18.351 32.509 6.186
560 HG3 GLU 71 HG3 GLU 71 20.097 32.456 5.949
561 H ALA 72 H ALA 72 16.913 28.668 4.001
562 HA ALA 72 HA ALA 72 18.753 27.312 2.138
563 HB1 ALA 72 HB1 ALA 72 18.140 25.367 3.005
564 HB2 ALA 72 HB2 ALA 72 17.086 26.198 4.150
565 HB3 ALA 72 HB3 ALA 72 16.462 25.701 2.577
566 H ALA 73 H ALA 73 18.121 27.060 0.036
567 HA ALA 73 HA ALA 73 15.503 28.187 -0.714
568 HB1 ALA 73 HB1 ALA 73 16.912 28.775 -2.900
569 HB2 ALA 73 HB2 ALA 73 16.783 29.874 -1.526
570 HB3 ALA 73 HB3 ALA 73 18.210 28.855 -1.708
571 H ILE 74 H ILE 74 14.374 27.147 -2.308
572 HA ILE 74 HA ILE 74 14.680 24.434 -2.683
573 HB ILE 74 HB ILE 74 13.369 26.371 -4.594
574 HG12 ILE 74 HG12 ILE 74 12.506 26.513 -2.283
575 HG13 ILE 74 HG13 ILE 74 11.306 25.862 -3.394
576 HG21 ILE 74 HG21 ILE 74 11.948 24.160 -4.912
577 HG22 ILE 74 HG22 ILE 74 13.405 24.473 -5.852
578 HG23 ILE 74 HG23 ILE 74 13.474 23.409 -4.448
579 HD11 ILE 74 HD11 ILE 74 12.812 23.716 -2.268
580 HD12 ILE 74 HD12 ILE 74 12.211 24.760 -0.980
581 HD13 ILE 74 HD13 ILE 74 11.087 24.057 -2.143
582 H LYS 75 H LYS 75 16.058 23.224 -3.792
583 HA LYS 75 HA LYS 75 17.869 24.488 -5.689
584 HB2 LYS 75 HB2 LYS 75 18.793 23.003 -3.964
585 HB3 LYS 75 HB3 LYS 75 17.824 21.673 -4.584
586 HG2 LYS 75 HG2 LYS 75 19.134 22.384 -6.825
587 HG3 LYS 75 HG3 LYS 75 20.328 22.831 -5.605
588 HD2 LYS 75 HD2 LYS 75 19.762 20.455 -4.639
589 HD3 LYS 75 HD3 LYS 75 19.218 20.147 -6.290
590 HE2 LYS 75 HE2 LYS 75 21.959 21.083 -5.446
591 HE3 LYS 75 HE3 LYS 75 21.535 19.470 -6.018
592 HZ1 LYS 75 HZ1 LYS 75 20.717 20.734 -8.093
593 HZ2 LYS 75 HZ2 LYS 75 22.376 20.472 -7.897
594 HZ3 LYS 75 HZ3 LYS 75 21.711 21.986 -7.538
595 H SER 76 H SER 76 15.269 22.142 -5.611
596 HA SER 76 HA SER 76 15.552 20.907 -8.063
597 HB2 SER 76 HB2 SER 76 13.248 21.541 -6.297
598 HB3 SER 76 HB3 SER 76 12.873 21.080 -7.957
599 HG SER 76 HG SER 76 13.258 19.105 -7.393
Start of MODEL 2
1 H1 ALA 1 H ALA 1 11.495 -6.843 -0.483
2 HA ALA 1 HA ALA 1 8.893 -6.361 -1.692
3 HB1 ALA 1 HB1 ALA 1 8.271 -7.262 0.461
4 HB2 ALA 1 HB2 ALA 1 9.343 -6.126 1.280
5 HB3 ALA 1 HB3 ALA 1 7.923 -5.533 0.419
6 H GLY 2 H GLY 2 8.196 -4.000 -1.114
7 HA2 GLY 2 HA2 GLY 2 9.915 -2.015 -0.311
8 HA3 GLY 2 HA3 GLY 2 10.327 -2.304 -1.995
9 H HIS 3 H HIS 3 8.415 -0.527 0.061
10 HA HIS 3 HA HIS 3 7.002 0.684 -2.121
11 HB2 HIS 3 HB2 HIS 3 5.624 -1.202 -0.285
12 HB3 HIS 3 HB3 HIS 3 4.777 0.293 -0.673
13 HD1 HIS 3 HD1 HIS 3 4.924 -3.032 -1.770
14 HD2 HIS 3 HD2 HIS 3 4.906 0.627 -3.738
15 HE1 HIS 3 HE1 HIS 3 4.178 -3.535 -4.119
16 H MET 4 H MET 4 7.556 2.715 -1.626
17 HA MET 4 HA MET 4 6.556 3.855 0.845
18 HB2 MET 4 HB2 MET 4 9.484 4.046 0.114
19 HB3 MET 4 HB3 MET 4 8.702 4.891 1.443
20 HG2 MET 4 HG2 MET 4 8.183 2.750 2.499
21 HG3 MET 4 HG3 MET 4 8.971 1.907 1.168
22 HE1 MET 4 HE1 MET 4 12.147 1.182 2.558
23 HE2 MET 4 HE2 MET 4 10.758 0.776 3.567
24 HE3 MET 4 HE3 MET 4 10.622 0.708 1.810
25 H GLN 5 H GLN 5 5.662 5.764 0.420
26 HA GLN 5 HA GLN 5 6.208 7.026 -2.153
27 HB2 GLN 5 HB2 GLN 5 4.107 7.785 -0.122
28 HB3 GLN 5 HB3 GLN 5 4.178 8.265 -1.813
29 HG2 GLN 5 HG2 GLN 5 3.772 5.451 -0.823
30 HG3 GLN 5 HG3 GLN 5 2.497 6.532 -1.384
31 HE21 GLN 5 HE21 GLN 5 1.872 6.147 -3.372
32 HE22 GLN 5 HE22 GLN 5 2.854 5.543 -4.658
33 H GLU 6 H GLU 6 7.853 7.152 0.472
34 HA GLU 6 HA GLU 6 7.798 9.772 1.454
35 HB2 GLU 6 HB2 GLU 6 10.051 9.327 2.297
36 HB3 GLU 6 HB3 GLU 6 8.987 7.957 2.584
37 HG2 GLU 6 HG2 GLU 6 9.948 6.788 0.684
38 HG3 GLU 6 HG3 GLU 6 10.990 8.169 0.347
39 H ALA 7 H ALA 7 8.810 11.646 0.875
40 HA ALA 7 HA ALA 7 10.252 11.627 -1.697
41 HB1 ALA 7 HB1 ALA 7 8.015 13.310 -0.749
42 HB2 ALA 7 HB2 ALA 7 9.287 14.122 -1.662
43 HB3 ALA 7 HB3 ALA 7 8.418 12.765 -2.378
44 H VAL 8 H VAL 8 12.004 13.026 -1.926
45 HA VAL 8 HA VAL 8 12.955 14.276 0.570
46 HB VAL 8 HB VAL 8 14.750 13.101 -1.549
47 HG11 VAL 8 HG11 VAL 8 16.363 13.152 0.420
48 HG12 VAL 8 HG12 VAL 8 15.927 14.705 -0.295
49 HG13 VAL 8 HG13 VAL 8 15.182 14.189 1.218
50 HG21 VAL 8 HG21 VAL 8 15.043 11.435 0.557
51 HG22 VAL 8 HG22 VAL 8 13.322 11.803 0.676
52 HG23 VAL 8 HG23 VAL 8 13.977 11.115 -0.811
53 H VAL 9 H VAL 9 13.710 16.325 0.455
54 HA VAL 9 HA VAL 9 13.873 17.564 -2.215
55 HB VAL 9 HB VAL 9 11.847 18.309 -1.049
56 HG11 VAL 9 HG11 VAL 9 11.920 19.519 1.014
57 HG12 VAL 9 HG12 VAL 9 12.762 17.987 1.252
58 HG13 VAL 9 HG13 VAL 9 13.683 19.476 1.037
59 HG21 VAL 9 HG21 VAL 9 12.951 19.851 -2.565
60 HG22 VAL 9 HG22 VAL 9 12.249 20.731 -1.208
61 HG23 VAL 9 HG23 VAL 9 13.985 20.428 -1.258
62 H LYS 10 H LYS 10 15.657 18.716 -2.652
63 HA LYS 10 HA LYS 10 17.595 19.093 -0.468
64 HB2 LYS 10 HB2 LYS 10 19.331 19.079 -2.201
65 HB3 LYS 10 HB3 LYS 10 18.379 17.600 -2.237
66 HG2 LYS 10 HG2 LYS 10 17.008 19.041 -4.027
67 HG3 LYS 10 HG3 LYS 10 18.605 19.764 -4.231
68 HD2 LYS 10 HD2 LYS 10 19.545 17.800 -4.984
69 HD3 LYS 10 HD3 LYS 10 18.353 16.791 -4.162
70 HE2 LYS 10 HE2 LYS 10 17.518 18.597 -6.395
71 HE3 LYS 10 HE3 LYS 10 18.269 17.042 -6.749
72 HZ1 LYS 10 HZ1 LYS 10 16.520 16.062 -5.239
73 HZ2 LYS 10 HZ2 LYS 10 15.973 16.652 -6.726
74 HZ3 LYS 10 HZ3 LYS 10 15.730 17.557 -5.317
75 H LEU 11 H LEU 11 18.212 21.091 0.074
76 HA LEU 11 HA LEU 11 17.557 23.298 -1.764
77 HB2 LEU 11 HB2 LEU 11 17.353 23.322 1.244
78 HB3 LEU 11 HB3 LEU 11 17.043 24.690 0.178
79 HG LEU 11 HG LEU 11 15.261 22.976 -0.828
80 HD11 LEU 11 HD11 LEU 11 14.725 21.246 0.456
81 HD12 LEU 11 HD12 LEU 11 14.632 22.260 1.895
82 HD13 LEU 11 HD13 LEU 11 16.180 21.580 1.395
83 HD21 LEU 11 HD21 LEU 11 15.127 24.946 1.399
84 HD22 LEU 11 HD22 LEU 11 13.694 23.986 1.031
85 HD23 LEU 11 HD23 LEU 11 14.413 25.010 -0.212
86 H ARG 12 H ARG 12 19.006 25.004 -1.871
87 HA ARG 12 HA ARG 12 21.717 24.360 -1.213
88 HB2 ARG 12 HB2 ARG 12 20.641 25.797 -3.196
89 HB3 ARG 12 HB3 ARG 12 20.988 27.109 -2.077
90 HG2 ARG 12 HG2 ARG 12 23.281 26.750 -2.170
91 HG3 ARG 12 HG3 ARG 12 23.094 25.109 -2.791
92 HD2 ARG 12 HD2 ARG 12 23.818 26.406 -4.621
93 HD3 ARG 12 HD3 ARG 12 22.090 26.157 -4.866
94 HE ARG 12 HE ARG 12 22.598 28.581 -3.472
95 HH11 ARG 12 HH11 ARG 12 22.678 27.127 -6.634
96 HH12 ARG 12 HH12 ARG 12 22.444 28.625 -7.472
97 HH21 ARG 12 HH21 ARG 12 22.289 30.560 -4.564
98 HH22 ARG 12 HH22 ARG 12 22.223 30.577 -6.294
99 H VAL 13 H VAL 13 22.810 24.872 0.564
100 HA VAL 13 HA VAL 13 21.538 26.519 2.591
101 HB VAL 13 HB VAL 13 24.233 25.209 2.848
102 HG11 VAL 13 HG11 VAL 13 22.087 25.825 4.876
103 HG12 VAL 13 HG12 VAL 13 23.692 25.169 5.208
104 HG13 VAL 13 HG13 VAL 13 23.520 26.809 4.582
105 HG21 VAL 13 HG21 VAL 13 23.200 23.262 2.402
106 HG22 VAL 13 HG22 VAL 13 22.547 23.442 4.031
107 HG23 VAL 13 HG23 VAL 13 21.591 23.944 2.637
108 H GLU 14 H GLU 14 22.184 28.503 3.230
109 HA GLU 14 HA GLU 14 24.366 29.743 1.701
110 HB2 GLU 14 HB2 GLU 14 21.732 30.605 2.395
111 HB3 GLU 14 HB3 GLU 14 22.890 31.688 3.155
112 HG2 GLU 14 HG2 GLU 14 23.108 30.972 0.257
113 HG3 GLU 14 HG3 GLU 14 22.037 32.259 0.809
114 H GLY 15 H GLY 15 23.431 28.740 4.840
115 HA2 GLY 15 HA2 GLY 15 25.524 30.392 6.086
116 HA3 GLY 15 HA3 GLY 15 24.222 29.583 6.944
117 H MET 16 H MET 16 25.381 27.498 4.640
118 HA MET 16 HA MET 16 26.363 25.621 6.426
119 HB2 MET 16 HB2 MET 16 27.374 24.519 4.445
120 HB3 MET 16 HB3 MET 16 25.699 24.991 4.191
121 HG2 MET 16 HG2 MET 16 26.515 25.770 2.250
122 HG3 MET 16 HG3 MET 16 26.917 27.173 3.238
123 HE1 MET 16 HE1 MET 16 28.298 28.003 1.683
124 HE2 MET 16 HE2 MET 16 30.042 27.801 1.850
125 HE3 MET 16 HE3 MET 16 29.176 26.964 0.561
126 H THR 17 H THR 17 27.904 28.404 5.112
127 HA THR 17 HA THR 17 30.583 27.766 5.158
128 HB THR 17 HB THR 17 31.052 30.121 5.581
129 HG1 THR 17 HG1 THR 17 29.515 31.489 6.345
130 HG21 THR 17 HG21 THR 17 30.534 30.217 3.400
131 HG22 THR 17 HG22 THR 17 29.009 30.931 3.924
132 HG23 THR 17 HG23 THR 17 29.109 29.200 3.606
133 H CYS 18 H CYS 18 28.402 28.172 7.825
134 HA CYS 18 HA CYS 18 30.135 28.749 9.909
135 HB2 CYS 18 HB2 CYS 18 27.482 27.499 9.645
136 HB3 CYS 18 HB3 CYS 18 28.364 27.039 11.096
137 HG CYS 18 HG CYS 18 27.842 30.302 10.223
138 H GLN 19 H GLN 19 30.512 27.037 11.755
139 HA GLN 19 HA GLN 19 31.933 24.783 10.505
140 HB2 GLN 19 HB2 GLN 19 33.070 26.696 11.968
141 HB3 GLN 19 HB3 GLN 19 32.556 25.650 13.285
142 HG2 GLN 19 HG2 GLN 19 33.859 23.844 12.478
143 HG3 GLN 19 HG3 GLN 19 34.182 24.674 10.957
144 HE21 GLN 19 HE21 GLN 19 35.723 23.677 13.502
145 HE22 GLN 19 HE22 GLN 19 36.851 24.959 13.767
146 H SER 20 H SER 20 31.343 22.767 10.985
147 HA SER 20 HA SER 20 30.289 20.993 11.944
148 HB2 SER 20 HB2 SER 20 29.830 22.466 14.500
149 HB3 SER 20 HB3 SER 20 30.357 20.803 14.241
150 HG SER 20 HG SER 20 32.349 21.877 13.373
151 H CYS 21 H CYS 21 28.849 23.537 10.903
152 HA CYS 21 HA CYS 21 26.357 23.710 12.195
153 HB2 CYS 21 HB2 CYS 21 25.577 24.766 10.087
154 HB3 CYS 21 HB3 CYS 21 27.089 25.448 10.675
155 HG CYS 21 HG CYS 21 26.686 23.317 8.033
156 H VAL 22 H VAL 22 27.600 21.532 9.762
157 HA VAL 22 HA VAL 22 25.152 20.458 8.869
158 HB VAL 22 HB VAL 22 27.902 19.214 8.964
159 HG11 VAL 22 HG11 VAL 22 25.301 18.201 7.912
160 HG12 VAL 22 HG12 VAL 22 26.796 17.793 7.068
161 HG13 VAL 22 HG13 VAL 22 26.584 17.339 8.760
162 HG21 VAL 22 HG21 VAL 22 28.251 20.755 7.370
163 HG22 VAL 22 HG22 VAL 22 27.293 19.683 6.348
164 HG23 VAL 22 HG23 VAL 22 26.528 21.056 7.147
165 H SER 23 H SER 23 27.376 19.437 11.440
166 HA SER 23 HA SER 23 25.997 17.112 12.195
167 HB2 SER 23 HB2 SER 23 28.185 18.720 13.228
168 HB3 SER 23 HB3 SER 23 27.174 18.094 14.530
169 HG SER 23 HG SER 23 28.845 16.635 13.930
170 H SER 24 H SER 24 25.630 20.475 13.169
171 HA SER 24 HA SER 24 23.820 20.009 15.297
172 HB2 SER 24 HB2 SER 24 25.099 22.121 15.001
173 HB3 SER 24 HB3 SER 24 24.103 22.498 13.595
174 HG SER 24 HG SER 24 23.421 23.453 15.646
175 H ILE 25 H ILE 25 23.369 20.747 11.865
176 HA ILE 25 HA ILE 25 20.549 20.949 11.957
177 HB ILE 25 HB ILE 25 22.305 20.203 9.615
178 HG12 ILE 25 HG12 ILE 25 21.130 22.920 10.013
179 HG13 ILE 25 HG13 ILE 25 22.556 22.482 10.947
180 HG21 ILE 25 HG21 ILE 25 19.487 21.276 9.667
181 HG22 ILE 25 HG22 ILE 25 20.446 20.934 8.228
182 HG23 ILE 25 HG23 ILE 25 19.947 19.616 9.288
183 HD11 ILE 25 HD11 ILE 25 22.375 23.353 8.245
184 HD12 ILE 25 HD12 ILE 25 23.811 23.028 9.217
185 HD13 ILE 25 HD13 ILE 25 23.065 21.731 8.285
186 H GLU 26 H GLU 26 22.749 18.256 11.321
187 HA GLU 26 HA GLU 26 20.812 16.373 10.544
188 HB2 GLU 26 HB2 GLU 26 23.617 16.400 11.071
189 HB3 GLU 26 HB3 GLU 26 22.908 15.041 11.931
190 HG2 GLU 26 HG2 GLU 26 21.723 14.623 9.623
191 HG3 GLU 26 HG3 GLU 26 23.089 15.554 9.011
192 H GLY 27 H GLY 27 22.074 17.286 13.713
193 HA2 GLY 27 HA2 GLY 27 20.846 15.227 15.199
194 HA3 GLY 27 HA3 GLY 27 21.375 16.776 15.839
195 H LYS 28 H LYS 28 19.653 18.314 14.046
196 HA LYS 28 HA LYS 28 17.379 18.513 15.686
197 HB2 LYS 28 HB2 LYS 28 18.485 19.904 13.447
198 HB3 LYS 28 HB3 LYS 28 16.780 19.608 13.132
199 HG2 LYS 28 HG2 LYS 28 17.947 21.009 15.527
200 HG3 LYS 28 HG3 LYS 28 17.055 21.749 14.196
201 HD2 LYS 28 HD2 LYS 28 15.115 20.261 14.833
202 HD3 LYS 28 HD3 LYS 28 16.018 19.851 16.293
203 HE2 LYS 28 HE2 LYS 28 14.434 21.635 16.746
204 HE3 LYS 28 HE3 LYS 28 16.088 22.226 16.903
205 HZ1 LYS 28 HZ1 LYS 28 15.920 23.471 14.997
206 HZ2 LYS 28 HZ2 LYS 28 14.349 23.609 15.606
207 HZ3 LYS 28 HZ3 LYS 28 14.674 22.533 14.343
208 H VAL 29 H VAL 29 17.986 16.764 12.709
209 HA VAL 29 HA VAL 29 15.400 16.170 11.906
210 HB VAL 29 HB VAL 29 17.752 15.532 10.882
211 HG11 VAL 29 HG11 VAL 29 18.443 13.311 11.196
212 HG12 VAL 29 HG12 VAL 29 18.124 13.917 12.823
213 HG13 VAL 29 HG13 VAL 29 16.949 12.872 12.023
214 HG21 VAL 29 HG21 VAL 29 16.628 14.023 9.359
215 HG22 VAL 29 HG22 VAL 29 15.323 13.777 10.520
216 HG23 VAL 29 HG23 VAL 29 15.554 15.359 9.774
217 H ARG 30 H ARG 30 17.265 14.881 14.551
218 HA ARG 30 HA ARG 30 15.759 12.540 15.020
219 HB2 ARG 30 HB2 ARG 30 17.923 12.751 16.025
220 HB3 ARG 30 HB3 ARG 30 17.462 14.238 16.843
221 HG2 ARG 30 HG2 ARG 30 15.929 13.020 18.264
222 HG3 ARG 30 HG3 ARG 30 16.289 11.522 17.403
223 HD2 ARG 30 HD2 ARG 30 18.195 13.164 19.064
224 HD3 ARG 30 HD3 ARG 30 17.532 11.582 19.470
225 HE ARG 30 HE ARG 30 19.749 12.133 17.740
226 HH11 ARG 30 HH11 ARG 30 17.181 9.888 18.439
227 HH12 ARG 30 HH12 ARG 30 17.997 8.534 17.730
228 HH21 ARG 30 HH21 ARG 30 20.832 10.357 16.804
229 HH22 ARG 30 HH22 ARG 30 20.074 8.801 16.802
230 H LYS 31 H LYS 31 15.170 15.873 15.688
231 HA LYS 31 HA LYS 31 13.076 15.290 17.629
232 HB2 LYS 31 HB2 LYS 31 13.852 17.976 16.490
233 HB3 LYS 31 HB3 LYS 31 12.916 17.664 17.946
234 HG2 LYS 31 HG2 LYS 31 15.795 16.863 17.591
235 HG3 LYS 31 HG3 LYS 31 15.265 18.361 18.361
236 HD2 LYS 31 HD2 LYS 31 13.973 16.997 19.990
237 HD3 LYS 31 HD3 LYS 31 14.667 15.545 19.265
238 HE2 LYS 31 HE2 LYS 31 16.908 16.324 19.842
239 HE3 LYS 31 HE3 LYS 31 16.226 17.790 20.543
240 HZ1 LYS 31 HZ1 LYS 31 15.347 15.158 21.523
241 HZ2 LYS 31 HZ2 LYS 31 15.372 16.645 22.328
242 HZ3 LYS 31 HZ3 LYS 31 16.815 15.803 22.063
243 H LEU 32 H LEU 32 13.418 15.661 14.279
244 HA LEU 32 HA LEU 32 10.832 16.760 13.724
245 HB2 LEU 32 HB2 LEU 32 13.089 15.662 12.158
246 HB3 LEU 32 HB3 LEU 32 11.497 15.599 11.404
247 HG LEU 32 HG LEU 32 12.701 17.571 10.680
248 HD11 LEU 32 HD11 LEU 32 11.020 19.189 11.072
249 HD12 LEU 32 HD12 LEU 32 10.561 18.445 12.604
250 HD13 LEU 32 HD13 LEU 32 10.215 17.619 11.085
251 HD21 LEU 32 HD21 LEU 32 13.456 19.272 12.166
252 HD22 LEU 32 HD22 LEU 32 14.116 17.740 12.740
253 HD23 LEU 32 HD23 LEU 32 12.729 18.465 13.556
254 H GLN 33 H GLN 33 8.947 15.738 13.281
255 HA GLN 33 HA GLN 33 8.763 12.940 14.004
256 HB2 GLN 33 HB2 GLN 33 7.093 14.499 14.860
257 HB3 GLN 33 HB3 GLN 33 6.634 14.938 13.221
258 HG2 GLN 33 HG2 GLN 33 5.604 12.890 12.828
259 HG3 GLN 33 HG3 GLN 33 6.436 12.109 14.172
260 HE21 GLN 33 HE21 GLN 33 4.987 11.545 15.625
261 HE22 GLN 33 HE22 GLN 33 3.692 12.529 16.205
262 H GLY 34 H GLY 34 7.097 14.652 11.369
263 HA2 GLY 34 HA2 GLY 34 6.737 12.461 9.724
264 HA3 GLY 34 HA3 GLY 34 6.825 14.120 9.151
265 H VAL 35 H VAL 35 9.319 14.902 9.391
266 HA VAL 35 HA VAL 35 10.702 13.870 7.282
267 HB VAL 35 HB VAL 35 11.250 15.752 9.293
268 HG11 VAL 35 HG11 VAL 35 12.578 14.024 10.432
269 HG12 VAL 35 HG12 VAL 35 13.553 13.830 8.974
270 HG13 VAL 35 HG13 VAL 35 13.577 15.358 9.855
271 HG21 VAL 35 HG21 VAL 35 13.027 15.077 6.961
272 HG22 VAL 35 HG22 VAL 35 11.474 15.893 6.781
273 HG23 VAL 35 HG23 VAL 35 12.767 16.652 7.710
274 H VAL 36 H VAL 36 12.113 12.236 6.890
275 HA VAL 36 HA VAL 36 12.264 10.131 8.900
276 HB VAL 36 HB VAL 36 13.399 9.939 6.125
277 HG11 VAL 36 HG11 VAL 36 11.997 7.736 7.545
278 HG12 VAL 36 HG12 VAL 36 13.376 7.678 6.445
279 HG13 VAL 36 HG13 VAL 36 13.599 8.207 8.113
280 HG21 VAL 36 HG21 VAL 36 10.519 9.748 6.962
281 HG22 VAL 36 HG22 VAL 36 11.222 10.707 5.660
282 HG23 VAL 36 HG23 VAL 36 11.134 8.952 5.514
283 H ARG 37 H ARG 37 14.467 12.004 6.829
284 HA ARG 37 HA ARG 37 16.465 12.137 8.849
285 HB2 ARG 37 HB2 ARG 37 18.165 10.761 7.912
286 HB3 ARG 37 HB3 ARG 37 16.715 9.771 8.009
287 HG2 ARG 37 HG2 ARG 37 16.320 10.422 5.572
288 HG3 ARG 37 HG3 ARG 37 17.994 10.983 5.586
289 HD2 ARG 37 HD2 ARG 37 17.310 8.234 6.547
290 HD3 ARG 37 HD3 ARG 37 17.458 8.560 4.821
291 HE ARG 37 HE ARG 37 19.699 9.484 6.362
292 HH11 ARG 37 HH11 ARG 37 18.292 6.761 4.710
293 HH12 ARG 37 HH12 ARG 37 19.811 5.969 4.450
294 HH21 ARG 37 HH21 ARG 37 21.704 8.450 6.026
295 HH22 ARG 37 HH22 ARG 37 21.751 6.930 5.200
296 H VAL 38 H VAL 38 18.339 13.373 8.174
297 HA VAL 38 HA VAL 38 17.917 14.863 5.667
298 HB VAL 38 HB VAL 38 17.219 16.252 7.565
299 HG11 VAL 38 HG11 VAL 38 20.061 16.185 8.539
300 HG12 VAL 38 HG12 VAL 38 18.639 16.851 9.343
301 HG13 VAL 38 HG13 VAL 38 18.821 15.105 9.175
302 HG21 VAL 38 HG21 VAL 38 18.853 18.159 7.155
303 HG22 VAL 38 HG22 VAL 38 19.726 17.043 6.105
304 HG23 VAL 38 HG23 VAL 38 18.056 17.477 5.736
305 H LYS 39 H LYS 39 19.612 14.827 4.355
306 HA LYS 39 HA LYS 39 22.258 14.216 5.499
307 HB2 LYS 39 HB2 LYS 39 21.383 12.427 4.054
308 HB3 LYS 39 HB3 LYS 39 21.205 13.578 2.736
309 HG2 LYS 39 HG2 LYS 39 23.807 13.929 3.295
310 HG3 LYS 39 HG3 LYS 39 23.616 12.241 3.776
311 HD2 LYS 39 HD2 LYS 39 22.625 13.266 1.129
312 HD3 LYS 39 HD3 LYS 39 24.284 12.706 1.353
313 HE2 LYS 39 HE2 LYS 39 23.273 10.773 0.641
314 HE3 LYS 39 HE3 LYS 39 23.103 10.605 2.387
315 HZ1 LYS 39 HZ1 LYS 39 20.910 10.604 2.192
316 HZ2 LYS 39 HZ2 LYS 39 21.086 10.554 0.511
317 HZ3 LYS 39 HZ3 LYS 39 20.913 12.041 1.298
318 H VAL 40 H VAL 40 23.711 15.786 5.371
319 HA VAL 40 HA VAL 40 23.329 17.891 3.344
320 HB VAL 40 HB VAL 40 24.850 18.156 5.937
321 HG11 VAL 40 HG11 VAL 40 23.782 20.296 4.106
322 HG12 VAL 40 HG12 VAL 40 24.858 20.499 5.490
323 HG13 VAL 40 HG13 VAL 40 25.433 19.680 4.037
324 HG21 VAL 40 HG21 VAL 40 22.801 19.610 6.530
325 HG22 VAL 40 HG22 VAL 40 21.973 18.677 5.282
326 HG23 VAL 40 HG23 VAL 40 22.667 17.858 6.681
327 H SER 41 H SER 41 24.966 18.403 1.986
328 HA SER 41 HA SER 41 27.433 16.812 2.229
329 HB2 SER 41 HB2 SER 41 25.996 16.373 0.218
330 HB3 SER 41 HB3 SER 41 26.284 18.037 -0.289
331 HG SER 41 HG SER 41 28.337 16.141 0.198
332 H LEU 42 H LEU 42 28.976 18.026 3.118
333 HA LEU 42 HA LEU 42 29.077 20.852 2.973
334 HB2 LEU 42 HB2 LEU 42 31.028 20.717 4.235
335 HB3 LEU 42 HB3 LEU 42 30.092 19.308 4.730
336 HG LEU 42 HG LEU 42 32.316 19.173 2.703
337 HD11 LEU 42 HD11 LEU 42 32.394 19.150 5.676
338 HD12 LEU 42 HD12 LEU 42 33.557 19.794 4.518
339 HD13 LEU 42 HD13 LEU 42 33.458 18.055 4.793
340 HD21 LEU 42 HD21 LEU 42 30.507 17.243 4.032
341 HD22 LEU 42 HD22 LEU 42 32.188 16.751 3.818
342 HD23 LEU 42 HD23 LEU 42 31.217 17.210 2.418
343 H SER 43 H SER 43 30.421 18.299 1.018
344 HA SER 43 HA SER 43 32.355 19.890 -0.337
345 HB2 SER 43 HB2 SER 43 32.379 17.374 -0.196
346 HB3 SER 43 HB3 SER 43 31.045 17.358 -1.348
347 HG SER 43 HG SER 43 32.403 18.402 -2.840
348 H ASN 44 H ASN 44 28.960 19.224 -0.807
349 HA ASN 44 HA ASN 44 28.984 20.679 -3.354
350 HB2 ASN 44 HB2 ASN 44 27.793 18.373 -2.922
351 HB3 ASN 44 HB3 ASN 44 26.528 19.384 -2.231
352 HD21 ASN 44 HD21 ASN 44 27.348 17.817 -4.913
353 HD22 ASN 44 HD22 ASN 44 26.594 18.809 -6.110
354 H GLN 45 H GLN 45 28.676 21.346 -0.165
355 HA GLN 45 HA GLN 45 27.714 22.999 1.076
356 HB2 GLN 45 HB2 GLN 45 27.611 24.526 -1.523
357 HB3 GLN 45 HB3 GLN 45 27.748 25.182 0.103
358 HG2 GLN 45 HG2 GLN 45 29.975 24.292 0.322
359 HG3 GLN 45 HG3 GLN 45 29.842 23.492 -1.243
360 HE21 GLN 45 HE21 GLN 45 28.827 25.338 -2.867
361 HE22 GLN 45 HE22 GLN 45 29.862 26.716 -2.977
362 H GLU 46 H GLU 46 25.882 21.087 0.187
363 HA GLU 46 HA GLU 46 23.461 22.738 -0.043
364 HB2 GLU 46 HB2 GLU 46 22.510 21.404 -1.685
365 HB3 GLU 46 HB3 GLU 46 24.195 21.457 -2.184
366 HG2 GLU 46 HG2 GLU 46 24.282 19.274 -0.654
367 HG3 GLU 46 HG3 GLU 46 22.591 19.206 -1.146
368 H ALA 47 H ALA 47 21.482 21.561 0.672
369 HA ALA 47 HA ALA 47 22.077 19.540 2.728
370 HB1 ALA 47 HB1 ALA 47 21.833 21.561 3.949
371 HB2 ALA 47 HB2 ALA 47 20.391 22.014 3.039
372 HB3 ALA 47 HB3 ALA 47 20.336 20.653 4.158
373 H VAL 48 H VAL 48 20.861 17.776 2.560
374 HA VAL 48 HA VAL 48 18.428 17.910 0.909
375 HB VAL 48 HB VAL 48 19.991 15.429 1.618
376 HG11 VAL 48 HG11 VAL 48 18.464 14.278 0.464
377 HG12 VAL 48 HG12 VAL 48 17.448 15.713 0.607
378 HG13 VAL 48 HG13 VAL 48 18.429 15.465 -0.838
379 HG21 VAL 48 HG21 VAL 48 21.573 16.387 0.308
380 HG22 VAL 48 HG22 VAL 48 20.539 15.767 -0.980
381 HG23 VAL 48 HG23 VAL 48 20.421 17.457 -0.492
382 H ILE 49 H ILE 49 16.506 17.530 1.807
383 HA ILE 49 HA ILE 49 16.446 16.365 4.514
384 HB ILE 49 HB ILE 49 14.539 18.388 3.334
385 HG12 ILE 49 HG12 ILE 49 15.958 19.130 5.764
386 HG13 ILE 49 HG13 ILE 49 17.064 18.791 4.437
387 HG21 ILE 49 HG21 ILE 49 14.128 18.310 6.050
388 HG22 ILE 49 HG22 ILE 49 13.110 17.547 4.829
389 HG23 ILE 49 HG23 ILE 49 14.370 16.613 5.635
390 HD11 ILE 49 HD11 ILE 49 15.924 20.420 3.049
391 HD12 ILE 49 HD12 ILE 49 14.769 20.734 4.345
392 HD13 ILE 49 HD13 ILE 49 16.469 21.152 4.557
393 H THR 50 H THR 50 15.600 14.400 4.538
394 HA THR 50 HA THR 50 13.719 13.612 2.435
395 HB THR 50 HB THR 50 15.176 11.900 4.458
396 HG1 THR 50 HG1 THR 50 16.745 12.039 3.056
397 HG21 THR 50 HG21 THR 50 14.354 10.342 2.300
398 HG22 THR 50 HG22 THR 50 12.960 11.355 2.678
399 HG23 THR 50 HG23 THR 50 13.674 10.335 3.927
400 H TYR 51 H TYR 51 11.615 13.571 2.839
401 HA TYR 51 HA TYR 51 10.690 12.951 5.553
402 HB2 TYR 51 HB2 TYR 51 9.266 14.792 5.699
403 HB3 TYR 51 HB3 TYR 51 10.712 15.481 4.971
404 HD1 TYR 51 HD1 TYR 51 10.640 15.148 2.234
405 HD2 TYR 51 HD2 TYR 51 7.297 15.593 4.828
406 HE1 TYR 51 HE1 TYR 51 9.298 15.984 0.350
407 HE2 TYR 51 HE2 TYR 51 5.945 16.430 2.951
408 HH TYR 51 HH TYR 51 6.170 16.046 0.205
409 H GLN 52 H GLN 52 8.146 12.762 5.441
410 HA GLN 52 HA GLN 52 7.478 11.208 3.029
411 HB2 GLN 52 HB2 GLN 52 6.733 10.625 5.899
412 HB3 GLN 52 HB3 GLN 52 6.087 9.762 4.510
413 HG2 GLN 52 HG2 GLN 52 8.772 9.556 4.096
414 HG3 GLN 52 HG3 GLN 52 8.665 9.502 5.855
415 HE21 GLN 52 HE21 GLN 52 6.669 8.247 3.201
416 HE22 GLN 52 HE22 GLN 52 6.635 6.616 3.770
417 HA PRO 53 HA PRO 53 4.074 13.992 2.640
418 HB2 PRO 53 HB2 PRO 53 2.628 12.556 0.847
419 HB3 PRO 53 HB3 PRO 53 4.091 13.446 0.409
420 HG2 PRO 53 HG2 PRO 53 3.750 10.528 0.986
421 HG3 PRO 53 HG3 PRO 53 4.687 11.312 -0.299
422 HD2 PRO 53 HD2 PRO 53 5.831 10.353 1.960
423 HD3 PRO 53 HD3 PRO 53 6.458 11.775 1.102
424 H TYR 54 H TYR 54 3.756 10.678 3.635
425 HA TYR 54 HA TYR 54 0.953 10.857 4.267
426 HB2 TYR 54 HB2 TYR 54 1.618 8.679 3.736
427 HB3 TYR 54 HB3 TYR 54 3.091 8.791 4.693
428 HD1 TYR 54 HD2 TYR 54 3.003 8.546 7.140
429 HD2 TYR 54 HD1 TYR 54 -0.471 8.042 4.736
430 HE1 TYR 54 HE2 TYR 54 1.871 7.434 9.020
431 HE2 TYR 54 HE1 TYR 54 -1.613 6.930 6.610
432 HH TYR 54 HH TYR 54 -1.379 6.072 8.660
433 H LEU 55 H LEU 55 3.837 11.816 5.766
434 HA LEU 55 HA LEU 55 2.554 11.882 8.413
435 HB2 LEU 55 HB2 LEU 55 5.467 12.139 7.682
436 HB3 LEU 55 HB3 LEU 55 4.812 12.195 9.318
437 HG LEU 55 HG LEU 55 4.659 9.797 7.493
438 HD11 LEU 55 HD11 LEU 55 6.976 10.540 8.295
439 HD12 LEU 55 HD12 LEU 55 6.491 8.874 8.603
440 HD13 LEU 55 HD13 LEU 55 6.425 10.066 9.901
441 HD21 LEU 55 HD21 LEU 55 3.935 8.604 9.449
442 HD22 LEU 55 HD22 LEU 55 2.879 9.996 9.210
443 HD23 LEU 55 HD23 LEU 55 4.131 10.042 10.451
444 H ILE 56 H ILE 56 5.120 13.849 6.937
445 HA ILE 56 HA ILE 56 3.545 16.245 7.622
446 HB ILE 56 HB ILE 56 5.617 15.927 8.992
447 HG12 ILE 56 HG12 ILE 56 5.543 18.343 7.171
448 HG13 ILE 56 HG13 ILE 56 4.640 18.147 8.669
449 HG21 ILE 56 HG21 ILE 56 7.679 15.714 8.109
450 HG22 ILE 56 HG22 ILE 56 6.792 15.131 6.702
451 HG23 ILE 56 HG23 ILE 56 7.335 16.807 6.769
452 HD11 ILE 56 HD11 ILE 56 7.486 18.796 8.237
453 HD12 ILE 56 HD12 ILE 56 6.360 19.368 9.468
454 HD13 ILE 56 HD13 ILE 56 7.097 17.773 9.620
455 H GLN 57 H GLN 57 3.802 18.092 6.241
456 HA GLN 57 HA GLN 57 4.099 17.326 3.458
457 HB2 GLN 57 HB2 GLN 57 2.751 19.460 4.944
458 HB3 GLN 57 HB3 GLN 57 3.523 20.017 3.465
459 HG2 GLN 57 HG2 GLN 57 1.261 19.449 2.973
460 HG3 GLN 57 HG3 GLN 57 2.312 18.248 2.225
461 HE21 GLN 57 HE21 GLN 57 0.091 18.874 4.850
462 HE22 GLN 57 HE22 GLN 57 -0.261 17.220 5.204
463 HA PRO 58 HA PRO 58 7.987 19.169 2.612
464 HB2 PRO 58 HB2 PRO 58 7.562 20.574 0.328
465 HB3 PRO 58 HB3 PRO 58 7.605 18.808 0.375
466 HG2 PRO 58 HG2 PRO 58 5.242 20.646 0.349
467 HG3 PRO 58 HG3 PRO 58 5.497 19.138 -0.550
468 HD2 PRO 58 HD2 PRO 58 3.993 19.258 1.699
469 HD3 PRO 58 HD3 PRO 58 4.936 17.820 1.256
470 H GLU 59 H GLU 59 5.369 21.546 2.149
471 HA GLU 59 HA GLU 59 6.951 23.838 2.507
472 HB2 GLU 59 HB2 GLU 59 4.582 23.687 1.576
473 HB3 GLU 59 HB3 GLU 59 4.036 23.632 3.246
474 HG2 GLU 59 HG2 GLU 59 5.296 25.801 3.584
475 HG3 GLU 59 HG3 GLU 59 5.444 25.869 1.829
476 H ASP 60 H ASP 60 5.287 21.755 4.792
477 HA ASP 60 HA ASP 60 5.568 23.433 7.058
478 HB2 ASP 60 HB2 ASP 60 4.499 20.846 6.484
479 HB3 ASP 60 HB3 ASP 60 5.567 20.709 7.878
480 H LEU 61 H LEU 61 7.543 20.807 5.740
481 HA LEU 61 HA LEU 61 9.436 20.770 7.845
482 HB2 LEU 61 HB2 LEU 61 10.463 19.138 6.674
483 HB3 LEU 61 HB3 LEU 61 8.926 19.126 5.813
484 HG LEU 61 HG LEU 61 10.196 20.859 4.263
485 HD11 LEU 61 HD11 LEU 61 12.314 21.127 4.932
486 HD12 LEU 61 HD12 LEU 61 12.587 19.557 4.179
487 HD13 LEU 61 HD13 LEU 61 12.294 19.663 5.915
488 HD21 LEU 61 HD21 LEU 61 10.092 19.212 2.749
489 HD22 LEU 61 HD22 LEU 61 9.402 18.254 4.060
490 HD23 LEU 61 HD23 LEU 61 11.126 18.143 3.698
491 H ARG 62 H ARG 62 9.016 22.784 5.063
492 HA ARG 62 HA ARG 62 11.649 23.743 4.781
493 HB2 ARG 62 HB2 ARG 62 9.970 24.090 3.053
494 HB3 ARG 62 HB3 ARG 62 9.013 25.080 4.148
495 HG2 ARG 62 HG2 ARG 62 10.082 26.870 3.416
496 HG3 ARG 62 HG3 ARG 62 11.585 26.219 4.072
497 HD2 ARG 62 HD2 ARG 62 12.193 26.445 1.885
498 HD3 ARG 62 HD3 ARG 62 11.534 24.811 1.839
499 HE ARG 62 HE ARG 62 9.802 25.574 0.540
500 HH11 ARG 62 HH11 ARG 62 11.507 28.281 1.913
501 HH12 ARG 62 HH12 ARG 62 10.678 29.459 0.951
502 HH21 ARG 62 HH21 ARG 62 8.703 27.115 -0.732
503 HH22 ARG 62 HH22 ARG 62 9.082 28.795 -0.553
504 H ASP 63 H ASP 63 8.926 24.843 6.749
505 HA ASP 63 HA ASP 63 10.142 27.194 7.726
506 HB2 ASP 63 HB2 ASP 63 7.810 27.074 7.997
507 HB3 ASP 63 HB3 ASP 63 7.886 25.465 8.709
508 H HIS 64 H HIS 64 10.253 23.848 8.764
509 HA HIS 64 HA HIS 64 11.419 24.281 11.302
510 HB2 HIS 64 HB2 HIS 64 10.379 22.120 10.134
511 HB3 HIS 64 HB3 HIS 64 12.076 21.804 9.784
512 HD1 HIS 64 HD1 HIS 64 9.625 21.076 12.230
513 HD2 HIS 64 HD2 HIS 64 13.657 22.068 12.375
514 HE1 HIS 64 HE1 HIS 64 10.428 20.299 14.484
515 H VAL 65 H VAL 65 12.779 23.834 8.081
516 HA VAL 65 HA VAL 65 15.462 23.493 8.765
517 HB VAL 65 HB VAL 65 14.326 24.887 6.336
518 HG11 VAL 65 HG11 VAL 65 17.081 24.085 7.113
519 HG12 VAL 65 HG12 VAL 65 16.601 23.905 5.424
520 HG13 VAL 65 HG13 VAL 65 16.526 25.487 6.199
521 HG21 VAL 65 HG21 VAL 65 13.939 22.295 7.088
522 HG22 VAL 65 HG22 VAL 65 13.909 22.879 5.424
523 HG23 VAL 65 HG23 VAL 65 15.382 22.167 6.082
524 H ASN 66 H ASN 66 13.611 26.466 8.206
525 HA ASN 66 HA ASN 66 15.754 28.266 8.455
526 HB2 ASN 66 HB2 ASN 66 12.864 28.407 8.284
527 HB3 ASN 66 HB3 ASN 66 13.489 29.593 9.427
528 HD21 ASN 66 HD21 ASN 66 15.818 30.368 8.369
529 HD22 ASN 66 HD22 ASN 66 15.581 31.096 6.820
530 H ASP 67 H ASP 67 13.949 26.494 10.806
531 HA ASP 67 HA ASP 67 14.309 28.086 13.074
532 HB2 ASP 67 HB2 ASP 67 12.959 25.868 12.717
533 HB3 ASP 67 HB3 ASP 67 14.449 25.097 13.255
534 H MET 68 H MET 68 16.558 26.207 11.272
535 HA MET 68 HA MET 68 18.483 25.835 13.348
536 HB2 MET 68 HB2 MET 68 18.625 25.649 10.344
537 HB3 MET 68 HB3 MET 68 20.032 25.390 11.366
538 HG2 MET 68 HG2 MET 68 17.468 23.820 11.509
539 HG3 MET 68 HG3 MET 68 18.943 23.299 10.698
540 HE1 MET 68 HE1 MET 68 21.188 24.299 13.613
541 HE2 MET 68 HE2 MET 68 21.462 22.620 13.146
542 HE3 MET 68 HE3 MET 68 21.131 23.836 11.911
543 H GLY 69 H GLY 69 17.517 28.520 11.535
544 HA2 GLY 69 HA2 GLY 69 18.286 30.711 11.933
545 HA3 GLY 69 HA3 GLY 69 19.786 30.047 12.563
546 H PHE 70 H PHE 70 19.652 28.267 10.000
547 HA PHE 70 HA PHE 70 21.281 30.077 8.423
548 HB2 PHE 70 HB2 PHE 70 20.616 27.177 7.884
549 HB3 PHE 70 HB3 PHE 70 21.902 28.120 7.140
550 HD1 PHE 70 HD2 PHE 70 23.589 29.196 8.880
551 HD2 PHE 70 HD1 PHE 70 21.169 25.771 9.606
552 HE1 PHE 70 HE2 PHE 70 25.140 28.480 10.651
553 HE2 PHE 70 HE1 PHE 70 22.715 25.049 11.379
554 HZ PHE 70 HZ PHE 70 24.703 26.405 11.904
555 H GLU 71 H GLU 71 21.009 29.886 5.959
556 HA GLU 71 HA GLU 71 18.153 30.242 5.339
557 HB2 GLU 71 HB2 GLU 71 20.443 31.374 3.741
558 HB3 GLU 71 HB3 GLU 71 18.750 31.845 3.696
559 HG2 GLU 71 HG2 GLU 71 20.725 32.352 5.904
560 HG3 GLU 71 HG3 GLU 71 19.978 33.539 4.836
561 H ALA 72 H ALA 72 17.237 28.857 3.980
562 HA ALA 72 HA ALA 72 18.980 27.269 2.209
563 HB1 ALA 72 HB1 ALA 72 16.726 25.739 2.518
564 HB2 ALA 72 HB2 ALA 72 18.248 25.513 3.380
565 HB3 ALA 72 HB3 ALA 72 16.943 26.437 4.123
566 H ALA 73 H ALA 73 18.361 26.995 0.105
567 HA ALA 73 HA ALA 73 15.879 28.345 -0.736
568 HB1 ALA 73 HB1 ALA 73 18.045 28.285 -2.711
569 HB2 ALA 73 HB2 ALA 73 16.944 29.591 -2.268
570 HB3 ALA 73 HB3 ALA 73 18.374 29.272 -1.286
571 H ILE 74 H ILE 74 14.678 27.379 -2.339
572 HA ILE 74 HA ILE 74 14.881 24.577 -2.608
573 HB ILE 74 HB ILE 74 13.284 26.504 -4.300
574 HG12 ILE 74 HG12 ILE 74 12.395 24.905 -1.893
575 HG13 ILE 74 HG13 ILE 74 12.857 26.602 -1.825
576 HG21 ILE 74 HG21 ILE 74 13.555 23.592 -4.282
577 HG22 ILE 74 HG22 ILE 74 11.888 24.162 -4.206
578 HG23 ILE 74 HG23 ILE 74 12.933 24.668 -5.534
579 HD11 ILE 74 HD11 ILE 74 10.338 25.774 -2.110
580 HD12 ILE 74 HD12 ILE 74 10.933 27.299 -2.767
581 HD13 ILE 74 HD13 ILE 74 10.798 25.882 -3.808
582 H LYS 75 H LYS 75 16.101 23.394 -3.912
583 HA LYS 75 HA LYS 75 17.843 24.562 -5.827
584 HB2 LYS 75 HB2 LYS 75 17.199 21.774 -4.960
585 HB3 LYS 75 HB3 LYS 75 18.106 22.012 -6.448
586 HG2 LYS 75 HG2 LYS 75 18.933 23.217 -3.822
587 HG3 LYS 75 HG3 LYS 75 19.466 21.624 -4.366
588 HD2 LYS 75 HD2 LYS 75 19.813 24.066 -6.079
589 HD3 LYS 75 HD3 LYS 75 20.992 23.635 -4.839
590 HE2 LYS 75 HE2 LYS 75 21.238 21.416 -5.900
591 HE3 LYS 75 HE3 LYS 75 20.129 21.928 -7.172
592 HZ1 LYS 75 HZ1 LYS 75 22.516 23.546 -6.608
593 HZ2 LYS 75 HZ2 LYS 75 21.660 23.366 -8.055
594 HZ3 LYS 75 HZ3 LYS 75 22.677 22.127 -7.515
595 H SER 76 H SER 76 15.434 21.996 -6.394
596 HA SER 76 HA SER 76 14.175 23.389 -8.539
597 HB2 SER 76 HB2 SER 76 15.995 22.894 -9.920
598 HB3 SER 76 HB3 SER 76 16.267 21.325 -9.163
599 HG SER 76 HG SER 76 15.302 21.084 -11.204
Start of MODEL 3
1 H1 ALA 1 H ALA 1 3.965 -0.418 -8.943
2 HA ALA 1 HA ALA 1 5.695 1.933 -8.972
3 HB1 ALA 1 HB1 ALA 1 4.129 3.335 -8.267
4 HB2 ALA 1 HB2 ALA 1 2.939 2.034 -8.219
5 HB3 ALA 1 HB3 ALA 1 3.946 2.359 -6.809
6 H GLY 2 H GLY 2 6.805 2.281 -6.921
7 HA2 GLY 2 HA2 GLY 2 7.525 -0.245 -5.711
8 HA3 GLY 2 HA3 GLY 2 8.274 1.314 -5.403
9 H HIS 3 H HIS 3 8.175 0.309 -3.170
10 HA HIS 3 HA HIS 3 5.548 0.685 -1.918
11 HB2 HIS 3 HB2 HIS 3 6.408 -0.582 -0.043
12 HB3 HIS 3 HB3 HIS 3 6.726 -1.470 -1.530
13 HD1 HIS 3 HD1 HIS 3 8.360 -0.169 1.445
14 HD2 HIS 3 HD2 HIS 3 9.513 -1.223 -2.405
15 HE1 HIS 3 HE1 HIS 3 10.859 -0.433 1.540
16 H MET 4 H MET 4 8.873 1.809 -1.854
17 HA MET 4 HA MET 4 8.704 3.390 0.473
18 HB2 MET 4 HB2 MET 4 10.479 3.565 -1.960
19 HB3 MET 4 HB3 MET 4 10.659 4.627 -0.570
20 HG2 MET 4 HG2 MET 4 10.833 2.469 0.803
21 HG3 MET 4 HG3 MET 4 11.103 1.675 -0.747
22 HE1 MET 4 HE1 MET 4 14.704 1.731 0.708
23 HE2 MET 4 HE2 MET 4 13.138 1.220 1.337
24 HE3 MET 4 HE3 MET 4 13.608 0.798 -0.311
25 H GLN 5 H GLN 5 7.167 4.888 0.722
26 HA GLN 5 HA GLN 5 6.396 6.564 -1.544
27 HB2 GLN 5 HB2 GLN 5 5.190 6.381 1.222
28 HB3 GLN 5 HB3 GLN 5 4.530 7.285 -0.135
29 HG2 GLN 5 HG2 GLN 5 4.570 4.954 -1.318
30 HG3 GLN 5 HG3 GLN 5 4.594 4.347 0.337
31 HE21 GLN 5 HE21 GLN 5 2.884 6.762 -1.624
32 HE22 GLN 5 HE22 GLN 5 1.318 6.427 -0.978
33 H GLU 6 H GLU 6 8.355 6.648 1.239
34 HA GLU 6 HA GLU 6 8.207 9.332 1.998
35 HB2 GLU 6 HB2 GLU 6 10.523 8.998 2.867
36 HB3 GLU 6 HB3 GLU 6 9.386 7.758 3.376
37 HG2 GLU 6 HG2 GLU 6 10.890 6.279 2.700
38 HG3 GLU 6 HG3 GLU 6 10.453 6.731 1.053
39 H ALA 7 H ALA 7 9.196 11.183 1.317
40 HA ALA 7 HA ALA 7 10.788 11.007 -1.158
41 HB1 ALA 7 HB1 ALA 7 9.061 13.380 -0.617
42 HB2 ALA 7 HB2 ALA 7 9.636 12.733 -2.154
43 HB3 ALA 7 HB3 ALA 7 8.343 11.911 -1.280
44 H VAL 8 H VAL 8 12.379 12.634 -1.467
45 HA VAL 8 HA VAL 8 13.153 14.044 1.005
46 HB VAL 8 HB VAL 8 15.083 12.976 -1.054
47 HG11 VAL 8 HG11 VAL 8 15.460 14.081 1.727
48 HG12 VAL 8 HG12 VAL 8 16.736 13.361 0.743
49 HG13 VAL 8 HG13 VAL 8 15.943 14.844 0.212
50 HG21 VAL 8 HG21 VAL 8 13.748 11.637 1.185
51 HG22 VAL 8 HG22 VAL 8 14.570 10.956 -0.219
52 HG23 VAL 8 HG23 VAL 8 15.504 11.479 1.182
53 H VAL 9 H VAL 9 13.886 16.130 0.828
54 HA VAL 9 HA VAL 9 13.807 17.325 -1.866
55 HB VAL 9 HB VAL 9 12.875 18.598 0.711
56 HG11 VAL 9 HG11 VAL 9 11.978 20.206 -1.269
57 HG12 VAL 9 HG12 VAL 9 13.478 20.475 -0.379
58 HG13 VAL 9 HG13 VAL 9 13.515 19.675 -1.951
59 HG21 VAL 9 HG21 VAL 9 11.109 17.242 0.184
60 HG22 VAL 9 HG22 VAL 9 10.704 18.656 -0.789
61 HG23 VAL 9 HG23 VAL 9 11.468 17.257 -1.543
62 H LYS 10 H LYS 10 15.489 18.572 -2.442
63 HA LYS 10 HA LYS 10 17.587 19.017 -0.430
64 HB2 LYS 10 HB2 LYS 10 19.108 19.259 -2.391
65 HB3 LYS 10 HB3 LYS 10 18.360 17.672 -2.268
66 HG2 LYS 10 HG2 LYS 10 16.647 19.221 -3.863
67 HG3 LYS 10 HG3 LYS 10 18.288 19.548 -4.426
68 HD2 LYS 10 HD2 LYS 10 17.631 16.719 -3.886
69 HD3 LYS 10 HD3 LYS 10 16.818 17.459 -5.267
70 HE2 LYS 10 HE2 LYS 10 18.732 16.674 -6.262
71 HE3 LYS 10 HE3 LYS 10 19.228 18.311 -5.837
72 HZ1 LYS 10 HZ1 LYS 10 20.885 16.609 -5.251
73 HZ2 LYS 10 HZ2 LYS 10 19.777 15.907 -4.184
74 HZ3 LYS 10 HZ3 LYS 10 20.344 17.476 -3.903
75 H LEU 11 H LEU 11 18.286 21.027 0.045
76 HA LEU 11 HA LEU 11 17.186 23.261 -1.529
77 HB2 LEU 11 HB2 LEU 11 17.673 23.291 1.441
78 HB3 LEU 11 HB3 LEU 11 16.895 24.541 0.473
79 HG LEU 11 HG LEU 11 15.722 21.789 0.784
80 HD11 LEU 11 HD11 LEU 11 14.301 22.701 2.544
81 HD12 LEU 11 HD12 LEU 11 15.196 24.219 2.489
82 HD13 LEU 11 HD13 LEU 11 16.001 22.740 3.012
83 HD21 LEU 11 HD21 LEU 11 14.628 24.468 -0.058
84 HD22 LEU 11 HD22 LEU 11 13.636 23.041 0.244
85 HD23 LEU 11 HD23 LEU 11 14.826 23.029 -1.058
86 H ARG 12 H ARG 12 18.538 24.943 -1.993
87 HA ARG 12 HA ARG 12 21.356 24.441 -1.754
88 HB2 ARG 12 HB2 ARG 12 19.949 25.635 -3.663
89 HB3 ARG 12 HB3 ARG 12 20.310 27.066 -2.707
90 HG2 ARG 12 HG2 ARG 12 22.733 26.424 -2.846
91 HG3 ARG 12 HG3 ARG 12 22.259 25.187 -4.012
92 HD2 ARG 12 HD2 ARG 12 21.867 26.694 -5.651
93 HD3 ARG 12 HD3 ARG 12 21.242 27.904 -4.532
94 HE ARG 12 HE ARG 12 23.324 28.830 -4.458
95 HH11 ARG 12 HH11 ARG 12 23.603 25.555 -5.603
96 HH12 ARG 12 HH12 ARG 12 25.297 25.681 -5.945
97 HH21 ARG 12 HH21 ARG 12 25.553 29.009 -4.904
98 HH22 ARG 12 HH22 ARG 12 26.405 27.646 -5.547
99 H VAL 13 H VAL 13 22.560 24.986 -0.071
100 HA VAL 13 HA VAL 13 21.639 27.154 1.691
101 HB VAL 13 HB VAL 13 23.492 24.832 2.229
102 HG11 VAL 13 HG11 VAL 13 23.268 27.409 3.556
103 HG12 VAL 13 HG12 VAL 13 22.980 26.053 4.648
104 HG13 VAL 13 HG13 VAL 13 24.486 26.147 3.734
105 HG21 VAL 13 HG21 VAL 13 21.004 25.478 3.753
106 HG22 VAL 13 HG22 VAL 13 20.891 24.647 2.201
107 HG23 VAL 13 HG23 VAL 13 21.808 23.925 3.524
108 H GLU 14 H GLU 14 22.769 28.983 1.839
109 HA GLU 14 HA GLU 14 25.382 29.101 0.501
110 HB2 GLU 14 HB2 GLU 14 23.637 30.606 -0.377
111 HB3 GLU 14 HB3 GLU 14 23.484 31.345 1.211
112 HG2 GLU 14 HG2 GLU 14 25.170 32.719 0.813
113 HG3 GLU 14 HG3 GLU 14 26.223 31.386 0.341
114 H GLY 15 H GLY 15 23.847 29.294 3.552
115 HA2 GLY 15 HA2 GLY 15 25.787 30.934 4.868
116 HA3 GLY 15 HA3 GLY 15 24.578 29.924 5.646
117 H MET 16 H MET 16 25.746 27.655 3.893
118 HA MET 16 HA MET 16 27.203 26.350 5.830
119 HB2 MET 16 HB2 MET 16 26.390 25.800 3.229
120 HB3 MET 16 HB3 MET 16 28.142 25.669 3.161
121 HG2 MET 16 HG2 MET 16 26.433 24.245 5.184
122 HG3 MET 16 HG3 MET 16 26.942 23.542 3.651
123 HE1 MET 16 HE1 MET 16 30.063 24.893 3.567
124 HE2 MET 16 HE2 MET 16 30.798 23.355 4.019
125 HE3 MET 16 HE3 MET 16 29.417 23.384 2.921
126 H THR 17 H THR 17 29.350 26.125 6.346
127 HA THR 17 HA THR 17 31.370 27.558 4.831
128 HB THR 17 HB THR 17 31.711 28.230 7.627
129 HG1 THR 17 HG1 THR 17 29.453 28.335 7.694
130 HG21 THR 17 HG21 THR 17 31.686 30.575 6.501
131 HG22 THR 17 HG22 THR 17 31.651 29.657 4.995
132 HG23 THR 17 HG23 THR 17 32.990 29.451 6.124
133 H CYS 18 H CYS 18 33.474 27.469 6.515
134 HA CYS 18 HA CYS 18 34.388 24.871 6.371
135 HB2 CYS 18 HB2 CYS 18 36.123 25.586 8.043
136 HB3 CYS 18 HB3 CYS 18 35.949 26.665 6.664
137 HG CYS 18 HG CYS 18 35.003 27.200 9.892
138 H GLN 19 H GLN 19 32.520 26.409 8.887
139 HA GLN 19 HA GLN 19 32.935 24.517 10.932
140 HB2 GLN 19 HB2 GLN 19 31.854 26.847 11.073
141 HB3 GLN 19 HB3 GLN 19 30.373 26.051 10.557
142 HG2 GLN 19 HG2 GLN 19 30.447 26.292 12.970
143 HG3 GLN 19 HG3 GLN 19 30.460 24.593 12.501
144 HE21 GLN 19 HE21 GLN 19 32.352 27.233 13.772
145 HE22 GLN 19 HE22 GLN 19 33.625 26.267 14.426
146 H SER 20 H SER 20 32.133 22.541 11.277
147 HA SER 20 HA SER 20 30.500 21.327 9.227
148 HB2 SER 20 HB2 SER 20 32.462 20.183 10.340
149 HB3 SER 20 HB3 SER 20 31.472 20.059 11.794
150 HG SER 20 HG SER 20 31.070 18.198 10.767
151 H CYS 21 H CYS 21 28.797 23.036 9.980
152 HA CYS 21 HA CYS 21 27.332 22.617 12.341
153 HB2 CYS 21 HB2 CYS 21 27.162 24.297 10.039
154 HB3 CYS 21 HB3 CYS 21 25.581 23.573 10.309
155 HG CYS 21 HG CYS 21 27.092 26.008 11.965
156 H VAL 22 H VAL 22 27.532 20.782 9.488
157 HA VAL 22 HA VAL 22 25.030 19.704 9.124
158 HB VAL 22 HB VAL 22 27.678 18.255 8.983
159 HG11 VAL 22 HG11 VAL 22 26.329 16.450 8.849
160 HG12 VAL 22 HG12 VAL 22 24.911 17.407 8.412
161 HG13 VAL 22 HG13 VAL 22 26.115 17.000 7.187
162 HG21 VAL 22 HG21 VAL 22 28.048 19.544 7.210
163 HG22 VAL 22 HG22 VAL 22 26.668 18.775 6.426
164 HG23 VAL 22 HG23 VAL 22 26.445 20.269 7.336
165 H SER 23 H SER 23 27.496 18.695 11.468
166 HA SER 23 HA SER 23 26.070 16.514 12.532
167 HB2 SER 23 HB2 SER 23 28.523 17.913 13.096
168 HB3 SER 23 HB3 SER 23 27.660 17.592 14.601
169 HG SER 23 HG SER 23 29.048 15.892 13.082
170 H SER 24 H SER 24 26.098 19.942 13.331
171 HA SER 24 HA SER 24 24.584 19.740 15.716
172 HB2 SER 24 HB2 SER 24 24.853 22.091 13.827
173 HB3 SER 24 HB3 SER 24 24.266 22.163 15.488
174 HG SER 24 HG SER 24 26.274 22.373 16.032
175 H ILE 25 H ILE 25 23.704 20.310 12.338
176 HA ILE 25 HA ILE 25 20.953 20.773 12.793
177 HB ILE 25 HB ILE 25 22.258 19.676 10.300
178 HG12 ILE 25 HG12 ILE 25 21.567 22.551 10.913
179 HG13 ILE 25 HG13 ILE 25 23.167 21.873 11.192
180 HG21 ILE 25 HG21 ILE 25 19.805 19.400 10.413
181 HG22 ILE 25 HG22 ILE 25 19.645 21.142 10.630
182 HG23 ILE 25 HG23 ILE 25 20.313 20.498 9.130
183 HD11 ILE 25 HD11 ILE 25 23.710 22.229 9.083
184 HD12 ILE 25 HD12 ILE 25 22.344 21.256 8.534
185 HD13 ILE 25 HD13 ILE 25 22.136 22.982 8.828
186 H GLU 26 H GLU 26 22.841 17.855 12.283
187 HA GLU 26 HA GLU 26 20.876 16.013 11.699
188 HB2 GLU 26 HB2 GLU 26 23.568 15.922 12.432
189 HB3 GLU 26 HB3 GLU 26 22.748 14.942 13.639
190 HG2 GLU 26 HG2 GLU 26 21.585 13.932 11.485
191 HG3 GLU 26 HG3 GLU 26 23.075 14.495 10.729
192 H GLY 27 H GLY 27 21.781 17.348 14.842
193 HA2 GLY 27 HA2 GLY 27 20.172 15.648 16.422
194 HA3 GLY 27 HA3 GLY 27 20.766 17.232 16.898
195 H LYS 28 H LYS 28 19.473 18.648 14.729
196 HA LYS 28 HA LYS 28 17.011 19.224 15.962
197 HB2 LYS 28 HB2 LYS 28 18.585 20.297 13.865
198 HB3 LYS 28 HB3 LYS 28 16.974 20.031 13.212
199 HG2 LYS 28 HG2 LYS 28 17.596 21.584 15.716
200 HG3 LYS 28 HG3 LYS 28 17.261 22.286 14.132
201 HD2 LYS 28 HD2 LYS 28 15.050 22.010 14.359
202 HD3 LYS 28 HD3 LYS 28 15.233 20.375 15.001
203 HE2 LYS 28 HE2 LYS 28 15.908 22.751 16.691
204 HE3 LYS 28 HE3 LYS 28 14.231 22.241 16.505
205 HZ1 LYS 28 HZ1 LYS 28 15.158 21.218 18.444
206 HZ2 LYS 28 HZ2 LYS 28 16.471 20.609 17.569
207 HZ3 LYS 28 HZ3 LYS 28 14.914 20.017 17.278
208 H VAL 29 H VAL 29 17.841 17.246 13.156
209 HA VAL 29 HA VAL 29 15.221 16.725 12.275
210 HB VAL 29 HB VAL 29 17.684 16.106 11.320
211 HG11 VAL 29 HG11 VAL 29 18.030 13.747 11.305
212 HG12 VAL 29 HG12 VAL 29 17.832 14.240 12.988
213 HG13 VAL 29 HG13 VAL 29 16.501 13.458 12.135
214 HG21 VAL 29 HG21 VAL 29 15.378 14.449 10.407
215 HG22 VAL 29 HG22 VAL 29 15.282 16.205 10.279
216 HG23 VAL 29 HG23 VAL 29 16.575 15.330 9.459
217 H ARG 30 H ARG 30 17.146 15.351 14.835
218 HA ARG 30 HA ARG 30 15.682 12.965 15.211
219 HB2 ARG 30 HB2 ARG 30 17.990 13.804 16.198
220 HB3 ARG 30 HB3 ARG 30 16.969 14.346 17.523
221 HG2 ARG 30 HG2 ARG 30 17.654 12.241 18.198
222 HG3 ARG 30 HG3 ARG 30 16.052 11.944 17.520
223 HD2 ARG 30 HD2 ARG 30 17.264 10.258 16.537
224 HD3 ARG 30 HD3 ARG 30 17.392 11.522 15.315
225 HE ARG 30 HE ARG 30 19.548 11.699 17.133
226 HH11 ARG 30 HH11 ARG 30 18.347 9.766 14.498
227 HH12 ARG 30 HH12 ARG 30 19.920 9.238 13.997
228 HH21 ARG 30 HH21 ARG 30 21.623 11.011 16.483
229 HH22 ARG 30 HH22 ARG 30 21.782 9.947 15.127
230 H LYS 31 H LYS 31 14.992 16.238 15.945
231 HA LYS 31 HA LYS 31 13.003 15.572 17.968
232 HB2 LYS 31 HB2 LYS 31 13.784 18.246 16.791
233 HB3 LYS 31 HB3 LYS 31 12.680 18.007 18.140
234 HG2 LYS 31 HG2 LYS 31 15.523 17.050 18.215
235 HG3 LYS 31 HG3 LYS 31 15.060 18.684 18.695
236 HD2 LYS 31 HD2 LYS 31 13.383 17.578 20.259
237 HD3 LYS 31 HD3 LYS 31 14.240 16.069 19.936
238 HE2 LYS 31 HE2 LYS 31 16.246 16.902 20.877
239 HE3 LYS 31 HE3 LYS 31 15.631 18.554 20.906
240 HZ1 LYS 31 HZ1 LYS 31 15.634 16.987 23.031
241 HZ2 LYS 31 HZ2 LYS 31 14.118 16.571 22.408
242 HZ3 LYS 31 HZ3 LYS 31 14.463 18.183 22.785
243 H LEU 32 H LEU 32 13.204 15.995 14.601
244 HA LEU 32 HA LEU 32 10.523 16.926 14.177
245 HB2 LEU 32 HB2 LEU 32 12.833 16.182 12.535
246 HB3 LEU 32 HB3 LEU 32 11.274 15.797 11.809
247 HG LEU 32 HG LEU 32 12.255 18.005 11.141
248 HD11 LEU 32 HD11 LEU 32 9.801 18.878 12.399
249 HD12 LEU 32 HD12 LEU 32 9.633 17.280 11.672
250 HD13 LEU 32 HD13 LEU 32 10.174 18.642 10.691
251 HD21 LEU 32 HD21 LEU 32 12.031 19.858 12.744
252 HD22 LEU 32 HD22 LEU 32 13.218 18.661 13.265
253 HD23 LEU 32 HD23 LEU 32 11.617 18.698 14.007
254 H GLN 33 H GLN 33 8.710 15.774 13.728
255 HA GLN 33 HA GLN 33 8.748 12.961 14.399
256 HB2 GLN 33 HB2 GLN 33 6.975 14.476 15.241
257 HB3 GLN 33 HB3 GLN 33 6.425 14.718 13.589
258 HG2 GLN 33 HG2 GLN 33 5.016 13.118 14.712
259 HG3 GLN 33 HG3 GLN 33 5.915 12.330 13.417
260 HE21 GLN 33 HE21 GLN 33 5.023 12.172 16.620
261 HE22 GLN 33 HE22 GLN 33 6.147 10.974 17.154
262 H GLY 34 H GLY 34 7.052 14.649 11.756
263 HA2 GLY 34 HA2 GLY 34 6.752 12.468 10.087
264 HA3 GLY 34 HA3 GLY 34 6.834 14.132 9.529
265 H VAL 35 H VAL 35 9.277 14.967 9.741
266 HA VAL 35 HA VAL 35 10.718 13.880 7.689
267 HB VAL 35 HB VAL 35 11.138 15.938 9.505
268 HG11 VAL 35 HG11 VAL 35 12.409 14.335 10.909
269 HG12 VAL 35 HG12 VAL 35 13.532 14.105 9.568
270 HG13 VAL 35 HG13 VAL 35 13.382 15.688 10.333
271 HG21 VAL 35 HG21 VAL 35 11.700 15.454 6.935
272 HG22 VAL 35 HG22 VAL 35 12.409 16.797 7.833
273 HG23 VAL 35 HG23 VAL 35 13.322 15.305 7.612
274 H VAL 36 H VAL 36 12.245 12.317 7.416
275 HA VAL 36 HA VAL 36 12.444 10.325 9.536
276 HB VAL 36 HB VAL 36 13.656 10.049 6.801
277 HG11 VAL 36 HG11 VAL 36 13.952 7.901 7.353
278 HG12 VAL 36 HG12 VAL 36 13.668 8.427 9.014
279 HG13 VAL 36 HG13 VAL 36 12.341 7.767 8.057
280 HG21 VAL 36 HG21 VAL 36 10.769 9.729 7.582
281 HG22 VAL 36 HG22 VAL 36 11.446 10.692 6.268
282 HG23 VAL 36 HG23 VAL 36 11.470 8.931 6.173
283 H ARG 37 H ARG 37 14.601 12.203 7.422
284 HA ARG 37 HA ARG 37 16.539 12.542 9.475
285 HB2 ARG 37 HB2 ARG 37 16.732 10.116 8.114
286 HB3 ARG 37 HB3 ARG 37 17.940 11.142 7.351
287 HG2 ARG 37 HG2 ARG 37 18.892 11.620 9.576
288 HG3 ARG 37 HG3 ARG 37 17.725 10.502 10.284
289 HD2 ARG 37 HD2 ARG 37 19.809 9.350 9.995
290 HD3 ARG 37 HD3 ARG 37 18.647 8.710 8.834
291 HE ARG 37 HE ARG 37 19.950 10.644 7.443
292 HH11 ARG 37 HH11 ARG 37 20.975 7.869 9.279
293 HH12 ARG 37 HH12 ARG 37 22.395 7.599 8.324
294 HH21 ARG 37 HH21 ARG 37 21.816 10.298 6.178
295 HH22 ARG 37 HH22 ARG 37 22.873 8.982 6.561
296 H VAL 38 H VAL 38 18.383 13.816 8.763
297 HA VAL 38 HA VAL 38 17.933 15.165 6.182
298 HB VAL 38 HB VAL 38 17.162 16.607 8.019
299 HG11 VAL 38 HG11 VAL 38 18.536 17.341 9.769
300 HG12 VAL 38 HG12 VAL 38 18.847 15.607 9.663
301 HG13 VAL 38 HG13 VAL 38 20.001 16.756 8.983
302 HG21 VAL 38 HG21 VAL 38 17.936 17.773 6.126
303 HG22 VAL 38 HG22 VAL 38 18.698 18.567 7.504
304 HG23 VAL 38 HG23 VAL 38 19.625 17.442 6.512
305 H LYS 39 H LYS 39 19.646 15.157 4.890
306 HA LYS 39 HA LYS 39 22.298 14.679 6.084
307 HB2 LYS 39 HB2 LYS 39 21.214 12.924 4.510
308 HB3 LYS 39 HB3 LYS 39 21.615 14.056 3.225
309 HG2 LYS 39 HG2 LYS 39 23.692 13.112 5.165
310 HG3 LYS 39 HG3 LYS 39 23.262 12.166 3.738
311 HD2 LYS 39 HD2 LYS 39 23.684 14.312 2.412
312 HD3 LYS 39 HD3 LYS 39 24.469 14.916 3.874
313 HE2 LYS 39 HE2 LYS 39 26.065 13.122 3.822
314 HE3 LYS 39 HE3 LYS 39 25.214 12.344 2.489
315 HZ1 LYS 39 HZ1 LYS 39 26.021 13.826 0.985
316 HZ2 LYS 39 HZ2 LYS 39 27.308 13.846 2.082
317 HZ3 LYS 39 HZ3 LYS 39 26.159 15.087 2.104
318 H VAL 40 H VAL 40 23.694 16.297 5.930
319 HA VAL 40 HA VAL 40 23.269 18.327 3.836
320 HB VAL 40 HB VAL 40 24.610 18.652 6.524
321 HG11 VAL 40 HG11 VAL 40 25.625 20.060 4.804
322 HG12 VAL 40 HG12 VAL 40 24.034 20.694 4.379
323 HG13 VAL 40 HG13 VAL 40 24.721 21.027 5.969
324 HG21 VAL 40 HG21 VAL 40 21.862 18.839 5.689
325 HG22 VAL 40 HG22 VAL 40 22.552 18.971 7.307
326 HG23 VAL 40 HG23 VAL 40 22.441 20.398 6.277
327 H SER 41 H SER 41 24.887 18.807 2.459
328 HA SER 41 HA SER 41 27.423 17.352 2.814
329 HB2 SER 41 HB2 SER 41 26.020 16.746 0.816
330 HB3 SER 41 HB3 SER 41 26.264 18.387 0.218
331 HG SER 41 HG SER 41 28.179 17.831 -0.428
332 H LEU 42 H LEU 42 28.888 18.691 3.660
333 HA LEU 42 HA LEU 42 28.861 21.506 3.338
334 HB2 LEU 42 HB2 LEU 42 31.102 21.413 4.388
335 HB3 LEU 42 HB3 LEU 42 29.855 20.555 5.290
336 HG LEU 42 HG LEU 42 30.812 18.472 3.997
337 HD11 LEU 42 HD11 LEU 42 33.476 19.397 4.264
338 HD12 LEU 42 HD12 LEU 42 32.612 20.526 3.221
339 HD13 LEU 42 HD13 LEU 42 32.655 18.810 2.817
340 HD21 LEU 42 HD21 LEU 42 32.103 19.801 6.373
341 HD22 LEU 42 HD22 LEU 42 32.408 18.135 5.880
342 HD23 LEU 42 HD23 LEU 42 30.790 18.624 6.386
343 H SER 43 H SER 43 30.373 18.897 1.589
344 HA SER 43 HA SER 43 32.268 20.484 0.178
345 HB2 SER 43 HB2 SER 43 31.089 17.779 -0.502
346 HB3 SER 43 HB3 SER 43 32.483 18.508 -1.301
347 HG SER 43 HG SER 43 32.453 17.060 0.909
348 H ASN 44 H ASN 44 28.918 19.649 -0.320
349 HA ASN 44 HA ASN 44 28.944 20.923 -2.962
350 HB2 ASN 44 HB2 ASN 44 27.778 18.610 -2.256
351 HB3 ASN 44 HB3 ASN 44 26.453 19.710 -1.889
352 HD21 ASN 44 HD21 ASN 44 26.070 21.371 -3.686
353 HD22 ASN 44 HD22 ASN 44 26.044 20.737 -5.294
354 H GLN 45 H GLN 45 28.547 21.805 0.163
355 HA GLN 45 HA GLN 45 27.500 23.505 1.265
356 HB2 GLN 45 HB2 GLN 45 27.469 24.797 -1.466
357 HB3 GLN 45 HB3 GLN 45 27.412 25.617 0.089
358 HG2 GLN 45 HG2 GLN 45 29.690 24.426 0.489
359 HG3 GLN 45 HG3 GLN 45 29.708 24.287 -1.268
360 HE21 GLN 45 HE21 GLN 45 29.442 26.293 -2.490
361 HE22 GLN 45 HE22 GLN 45 30.102 27.753 -1.843
362 H GLU 46 H GLU 46 25.756 21.468 0.473
363 HA GLU 46 HA GLU 46 23.284 23.011 0.085
364 HB2 GLU 46 HB2 GLU 46 22.422 21.549 -1.489
365 HB3 GLU 46 HB3 GLU 46 24.119 21.605 -1.946
366 HG2 GLU 46 HG2 GLU 46 24.206 19.538 -0.260
367 HG3 GLU 46 HG3 GLU 46 22.533 19.397 -0.798
368 H ALA 47 H ALA 47 21.328 21.767 0.808
369 HA ALA 47 HA ALA 47 21.957 19.947 3.034
370 HB1 ALA 47 HB1 ALA 47 21.556 22.009 4.112
371 HB2 ALA 47 HB2 ALA 47 20.160 22.357 3.091
372 HB3 ALA 47 HB3 ALA 47 20.074 21.070 4.293
373 H VAL 48 H VAL 48 20.851 18.106 2.959
374 HA VAL 48 HA VAL 48 18.471 17.977 1.232
375 HB VAL 48 HB VAL 48 20.122 15.633 2.166
376 HG11 VAL 48 HG11 VAL 48 17.653 15.880 0.793
377 HG12 VAL 48 HG12 VAL 48 18.848 15.251 -0.344
378 HG13 VAL 48 HG13 VAL 48 18.553 14.413 1.181
379 HG21 VAL 48 HG21 VAL 48 20.939 15.753 -0.297
380 HG22 VAL 48 HG22 VAL 48 20.492 17.455 -0.178
381 HG23 VAL 48 HG23 VAL 48 21.698 16.781 0.918
382 H ILE 49 H ILE 49 16.546 17.518 2.089
383 HA ILE 49 HA ILE 49 16.465 16.539 4.869
384 HB ILE 49 HB ILE 49 14.357 18.270 3.585
385 HG12 ILE 49 HG12 ILE 49 15.503 19.910 5.392
386 HG13 ILE 49 HG13 ILE 49 16.917 18.983 4.904
387 HG21 ILE 49 HG21 ILE 49 13.881 18.686 6.075
388 HG22 ILE 49 HG22 ILE 49 13.400 17.138 5.383
389 HG23 ILE 49 HG23 ILE 49 14.866 17.251 6.357
390 HD11 ILE 49 HD11 ILE 49 16.841 20.909 3.542
391 HD12 ILE 49 HD12 ILE 49 16.337 19.555 2.531
392 HD13 ILE 49 HD13 ILE 49 15.133 20.669 3.177
393 H THR 50 H THR 50 15.696 14.548 5.007
394 HA THR 50 HA THR 50 13.929 13.536 2.901
395 HB THR 50 HB THR 50 15.349 12.004 5.088
396 HG1 THR 50 HG1 THR 50 16.711 11.363 3.303
397 HG21 THR 50 HG21 THR 50 14.706 10.403 2.841
398 HG22 THR 50 HG22 THR 50 13.245 11.275 3.305
399 HG23 THR 50 HG23 THR 50 14.086 10.272 4.486
400 H TYR 51 H TYR 51 11.817 13.389 3.239
401 HA TYR 51 HA TYR 51 10.832 12.940 5.966
402 HB2 TYR 51 HB2 TYR 51 9.301 14.695 5.909
403 HB3 TYR 51 HB3 TYR 51 10.725 15.407 5.158
404 HD1 TYR 51 HD1 TYR 51 10.754 14.816 2.460
405 HD2 TYR 51 HD2 TYR 51 7.317 15.301 4.921
406 HE1 TYR 51 HE1 TYR 51 9.422 15.396 0.476
407 HE2 TYR 51 HE2 TYR 51 5.975 15.881 2.943
408 HH TYR 51 HH TYR 51 6.157 15.363 0.380
409 H GLN 52 H GLN 52 8.309 12.583 5.792
410 HA GLN 52 HA GLN 52 7.822 10.792 3.504
411 HB2 GLN 52 HB2 GLN 52 8.180 9.890 6.006
412 HB3 GLN 52 HB3 GLN 52 6.458 10.236 6.081
413 HG2 GLN 52 HG2 GLN 52 5.931 8.644 4.498
414 HG3 GLN 52 HG3 GLN 52 7.556 8.638 3.815
415 HE21 GLN 52 HE21 GLN 52 5.468 7.377 6.249
416 HE22 GLN 52 HE22 GLN 52 6.556 6.190 6.873
417 HA PRO 53 HA PRO 53 4.268 13.311 2.785
418 HB2 PRO 53 HB2 PRO 53 2.976 11.642 1.077
419 HB3 PRO 53 HB3 PRO 53 4.395 12.585 0.608
420 HG2 PRO 53 HG2 PRO 53 4.216 9.709 1.418
421 HG3 PRO 53 HG3 PRO 53 5.146 10.444 0.100
422 HD2 PRO 53 HD2 PRO 53 6.269 9.749 2.463
423 HD3 PRO 53 HD3 PRO 53 6.836 11.133 1.507
424 H TYR 54 H TYR 54 4.114 10.066 4.028
425 HA TYR 54 HA TYR 54 1.287 10.130 4.573
426 HB2 TYR 54 HB2 TYR 54 2.087 7.961 4.219
427 HB3 TYR 54 HB3 TYR 54 3.520 8.224 5.206
428 HD1 TYR 54 HD2 TYR 54 3.371 8.141 7.658
429 HD2 TYR 54 HD1 TYR 54 -0.001 7.292 5.207
430 HE1 TYR 54 HE2 TYR 54 2.242 7.103 9.581
431 HE2 TYR 54 HE1 TYR 54 -1.140 6.253 7.123
432 HH TYR 54 HH TYR 54 -0.353 5.119 9.338
433 H LEU 55 H LEU 55 4.066 11.363 6.065
434 HA LEU 55 HA LEU 55 2.709 11.542 8.670
435 HB2 LEU 55 HB2 LEU 55 5.619 12.025 8.063
436 HB3 LEU 55 HB3 LEU 55 4.867 11.942 9.654
437 HG LEU 55 HG LEU 55 4.965 9.598 7.766
438 HD11 LEU 55 HD11 LEU 55 6.873 8.791 9.033
439 HD12 LEU 55 HD12 LEU 55 6.885 10.271 9.992
440 HD13 LEU 55 HD13 LEU 55 7.248 10.334 8.267
441 HD21 LEU 55 HD21 LEU 55 3.273 9.464 9.500
442 HD22 LEU 55 HD22 LEU 55 4.476 9.841 10.734
443 HD23 LEU 55 HD23 LEU 55 4.579 8.327 9.834
444 H ILE 56 H ILE 56 5.153 13.532 7.011
445 HA ILE 56 HA ILE 56 3.443 15.879 7.514
446 HB ILE 56 HB ILE 56 5.422 15.880 8.977
447 HG12 ILE 56 HG12 ILE 56 5.583 17.980 6.804
448 HG13 ILE 56 HG13 ILE 56 4.439 18.003 8.142
449 HG21 ILE 56 HG21 ILE 56 6.748 14.741 6.921
450 HG22 ILE 56 HG22 ILE 56 7.295 16.411 6.770
451 HG23 ILE 56 HG23 ILE 56 7.537 15.537 8.283
452 HD11 ILE 56 HD11 ILE 56 7.313 18.645 8.090
453 HD12 ILE 56 HD12 ILE 56 6.004 19.342 9.046
454 HD13 ILE 56 HD13 ILE 56 6.719 17.801 9.521
455 H GLN 57 H GLN 57 3.616 17.620 5.996
456 HA GLN 57 HA GLN 57 4.036 16.665 3.290
457 HB2 GLN 57 HB2 GLN 57 2.533 18.825 4.575
458 HB3 GLN 57 HB3 GLN 57 3.311 19.311 3.074
459 HG2 GLN 57 HG2 GLN 57 1.193 18.595 2.431
460 HG3 GLN 57 HG3 GLN 57 2.251 17.238 2.047
461 HE21 GLN 57 HE21 GLN 57 0.678 18.364 5.022
462 HE22 GLN 57 HE22 GLN 57 -0.100 16.864 5.381
463 HA PRO 58 HA PRO 58 7.838 18.657 2.389
464 HB2 PRO 58 HB2 PRO 58 7.396 19.853 -0.008
465 HB3 PRO 58 HB3 PRO 58 7.536 18.101 0.180
466 HG2 PRO 58 HG2 PRO 58 5.076 19.791 -0.046
467 HG3 PRO 58 HG3 PRO 58 5.439 18.235 -0.815
468 HD2 PRO 58 HD2 PRO 58 3.870 18.443 1.382
469 HD3 PRO 58 HD3 PRO 58 4.904 17.032 1.077
470 H GLU 59 H GLU 59 5.095 20.829 1.703
471 HA GLU 59 HA GLU 59 6.522 23.236 1.884
472 HB2 GLU 59 HB2 GLU 59 4.173 22.868 0.972
473 HB3 GLU 59 HB3 GLU 59 3.624 22.896 2.642
474 HG2 GLU 59 HG2 GLU 59 4.919 25.168 2.710
475 HG3 GLU 59 HG3 GLU 59 4.701 25.102 0.962
476 H ASP 60 H ASP 60 4.955 21.258 4.333
477 HA ASP 60 HA ASP 60 5.163 23.129 6.453
478 HB2 ASP 60 HB2 ASP 60 4.107 20.534 6.093
479 HB3 ASP 60 HB3 ASP 60 5.268 20.420 7.413
480 H LEU 61 H LEU 61 7.231 20.470 5.363
481 HA LEU 61 HA LEU 61 9.120 20.692 7.465
482 HB2 LEU 61 HB2 LEU 61 10.186 18.979 6.462
483 HB3 LEU 61 HB3 LEU 61 8.662 18.850 5.586
484 HG LEU 61 HG LEU 61 9.893 20.446 3.886
485 HD11 LEU 61 HD11 LEU 61 11.944 19.910 5.741
486 HD12 LEU 61 HD12 LEU 61 12.062 20.764 4.204
487 HD13 LEU 61 HD13 LEU 61 12.336 19.023 4.268
488 HD21 LEU 61 HD21 LEU 61 9.152 17.876 3.856
489 HD22 LEU 61 HD22 LEU 61 10.900 17.669 3.741
490 HD23 LEU 61 HD23 LEU 61 10.044 18.634 2.537
491 H ARG 62 H ARG 62 8.658 22.387 4.475
492 HA ARG 62 HA ARG 62 11.203 23.379 3.981
493 HB2 ARG 62 HB2 ARG 62 9.369 23.705 2.422
494 HB3 ARG 62 HB3 ARG 62 8.525 24.723 3.582
495 HG2 ARG 62 HG2 ARG 62 9.572 26.516 2.823
496 HG3 ARG 62 HG3 ARG 62 11.142 25.776 3.145
497 HD2 ARG 62 HD2 ARG 62 10.830 26.437 0.776
498 HD3 ARG 62 HD3 ARG 62 11.145 24.715 0.989
499 HE ARG 62 HE ARG 62 9.109 24.292 0.059
500 HH11 ARG 62 HH11 ARG 62 9.124 27.564 1.246
501 HH12 ARG 62 HH12 ARG 62 7.559 27.942 0.607
502 HH21 ARG 62 HH21 ARG 62 7.047 24.777 -0.788
503 HH22 ARG 62 HH22 ARG 62 6.378 26.355 -0.550
504 H ASP 63 H ASP 63 8.705 24.586 6.176
505 HA ASP 63 HA ASP 63 10.062 26.936 6.958
506 HB2 ASP 63 HB2 ASP 63 7.648 26.578 7.327
507 HB3 ASP 63 HB3 ASP 63 8.022 25.324 8.507
508 H HIS 64 H HIS 64 10.097 23.633 8.177
509 HA HIS 64 HA HIS 64 11.490 24.073 10.564
510 HB2 HIS 64 HB2 HIS 64 10.530 21.945 10.329
511 HB3 HIS 64 HB3 HIS 64 11.239 21.700 8.735
512 HD1 HIS 64 HD1 HIS 64 13.062 22.651 11.923
513 HD2 HIS 64 HD2 HIS 64 12.818 19.530 9.191
514 HE1 HIS 64 HE1 HIS 64 14.872 21.035 12.584
515 H VAL 65 H VAL 65 12.635 23.589 7.264
516 HA VAL 65 HA VAL 65 15.361 23.272 7.787
517 HB VAL 65 HB VAL 65 14.184 24.681 5.390
518 HG11 VAL 65 HG11 VAL 65 16.787 24.443 6.036
519 HG12 VAL 65 HG12 VAL 65 16.545 22.930 5.160
520 HG13 VAL 65 HG13 VAL 65 16.190 24.470 4.377
521 HG21 VAL 65 HG21 VAL 65 14.668 22.085 4.639
522 HG22 VAL 65 HG22 VAL 65 14.000 21.902 6.261
523 HG23 VAL 65 HG23 VAL 65 13.087 22.765 5.024
524 H ASN 66 H ASN 66 13.488 26.228 7.169
525 HA ASN 66 HA ASN 66 15.680 28.003 7.347
526 HB2 ASN 66 HB2 ASN 66 13.789 28.885 6.281
527 HB3 ASN 66 HB3 ASN 66 12.700 28.339 7.553
528 HD21 ASN 66 HD21 ASN 66 12.490 29.543 9.421
529 HD22 ASN 66 HD22 ASN 66 13.079 31.161 9.552
530 H ASP 67 H ASP 67 13.518 26.621 9.730
531 HA ASP 67 HA ASP 67 14.025 28.318 11.886
532 HB2 ASP 67 HB2 ASP 67 12.358 26.322 11.631
533 HB3 ASP 67 HB3 ASP 67 13.682 25.366 12.289
534 H MET 68 H MET 68 16.027 25.950 10.383
535 HA MET 68 HA MET 68 17.751 25.363 12.539
536 HB2 MET 68 HB2 MET 68 18.179 25.290 9.552
537 HB3 MET 68 HB3 MET 68 19.373 24.723 10.712
538 HG2 MET 68 HG2 MET 68 18.093 22.913 11.350
539 HG3 MET 68 HG3 MET 68 16.592 23.649 10.793
540 HE1 MET 68 HE1 MET 68 19.516 23.910 8.009
541 HE2 MET 68 HE2 MET 68 20.073 23.085 9.464
542 HE3 MET 68 HE3 MET 68 19.876 22.184 7.960
543 H GLY 69 H GLY 69 17.310 28.197 10.731
544 HA2 GLY 69 HA2 GLY 69 18.312 30.264 11.135
545 HA3 GLY 69 HA3 GLY 69 19.546 29.453 12.088
546 H PHE 70 H PHE 70 18.830 28.257 8.924
547 HA PHE 70 HA PHE 70 21.434 29.268 8.007
548 HB2 PHE 70 HB2 PHE 70 19.814 26.859 7.171
549 HB3 PHE 70 HB3 PHE 70 21.242 27.410 6.299
550 HD1 PHE 70 HD1 PHE 70 20.171 26.502 9.753
551 HD2 PHE 70 HD2 PHE 70 23.280 26.500 6.846
552 HE1 PHE 70 HE1 PHE 70 21.597 25.207 11.284
553 HE2 PHE 70 HE2 PHE 70 24.710 25.205 8.371
554 HZ PHE 70 HZ PHE 70 23.870 24.556 10.593
555 H GLU 71 H GLU 71 21.380 29.188 5.394
556 HA GLU 71 HA GLU 71 19.236 31.058 4.661
557 HB2 GLU 71 HB2 GLU 71 21.869 31.480 4.471
558 HB3 GLU 71 HB3 GLU 71 21.618 30.692 2.920
559 HG2 GLU 71 HG2 GLU 71 19.727 32.847 3.605
560 HG3 GLU 71 HG3 GLU 71 21.394 33.332 3.300
561 H ALA 72 H ALA 72 19.631 27.914 4.520
562 HA ALA 72 HA ALA 72 19.598 26.930 1.999
563 HB1 ALA 72 HB1 ALA 72 18.806 25.995 4.491
564 HB2 ALA 72 HB2 ALA 72 17.386 25.783 3.466
565 HB3 ALA 72 HB3 ALA 72 18.926 25.061 3.000
566 H ALA 73 H ALA 73 18.280 26.896 0.251
567 HA ALA 73 HA ALA 73 15.623 28.119 0.464
568 HB1 ALA 73 HB1 ALA 73 16.766 29.978 -0.309
569 HB2 ALA 73 HB2 ALA 73 17.860 29.019 -1.306
570 HB3 ALA 73 HB3 ALA 73 16.182 29.240 -1.801
571 H ILE 74 H ILE 74 14.244 27.667 -1.413
572 HA ILE 74 HA ILE 74 14.329 24.936 -2.127
573 HB ILE 74 HB ILE 74 12.703 27.104 -3.456
574 HG12 ILE 74 HG12 ILE 74 11.951 25.371 -1.094
575 HG13 ILE 74 HG13 ILE 74 12.454 27.053 -0.969
576 HG21 ILE 74 HG21 ILE 74 12.820 24.191 -3.682
577 HG22 ILE 74 HG22 ILE 74 11.197 24.829 -3.425
578 HG23 ILE 74 HG23 ILE 74 12.158 25.391 -4.792
579 HD11 ILE 74 HD11 ILE 74 9.892 25.900 -1.815
580 HD12 ILE 74 HD12 ILE 74 10.248 27.435 -1.023
581 HD13 ILE 74 HD13 ILE 74 10.459 27.273 -2.766
582 H LYS 75 H LYS 75 15.221 23.909 -3.803
583 HA LYS 75 HA LYS 75 17.171 24.998 -5.414
584 HB2 LYS 75 HB2 LYS 75 17.213 22.966 -6.572
585 HB3 LYS 75 HB3 LYS 75 16.570 22.529 -4.994
586 HG2 LYS 75 HG2 LYS 75 14.813 23.115 -7.360
587 HG3 LYS 75 HG3 LYS 75 15.430 21.502 -6.994
588 HD2 LYS 75 HD2 LYS 75 13.783 23.195 -5.115
589 HD3 LYS 75 HD3 LYS 75 13.152 21.883 -6.113
590 HE2 LYS 75 HE2 LYS 75 15.412 20.922 -4.674
591 HE3 LYS 75 HE3 LYS 75 14.337 21.738 -3.540
592 HZ1 LYS 75 HZ1 LYS 75 12.972 20.016 -5.399
593 HZ2 LYS 75 HZ2 LYS 75 12.819 20.131 -3.719
594 HZ3 LYS 75 HZ3 LYS 75 14.055 19.192 -4.393
595 H SER 76 H SER 76 13.718 24.968 -5.878
596 HA SER 76 HA SER 76 14.077 26.312 -8.476
597 HB2 SER 76 HB2 SER 76 12.819 24.116 -8.477
598 HB3 SER 76 HB3 SER 76 11.570 24.917 -7.525
599 HG SER 76 HG SER 76 10.994 26.088 -9.225
Start of MODEL 4
1 H1 ALA 1 H ALA 1 14.648 -2.750 2.201
2 HA ALA 1 HA ALA 1 14.121 -2.254 0.007
3 HB1 ALA 1 HB1 ALA 1 12.362 -4.610 0.667
4 HB2 ALA 1 HB2 ALA 1 12.699 -4.051 -0.972
5 HB3 ALA 1 HB3 ALA 1 14.012 -4.645 0.045
6 H GLY 2 H GLY 2 12.709 -0.512 1.712
7 HA2 GLY 2 HA2 GLY 2 10.277 -0.112 0.097
8 HA3 GLY 2 HA3 GLY 2 10.199 0.004 1.849
9 H HIS 3 H HIS 3 9.693 2.125 2.079
10 HA HIS 3 HA HIS 3 10.005 4.374 2.212
11 HB2 HIS 3 HB2 HIS 3 12.873 3.859 1.417
12 HB3 HIS 3 HB3 HIS 3 12.240 5.227 2.328
13 HD1 HIS 3 HD1 HIS 3 14.057 2.252 2.854
14 HD2 HIS 3 HD2 HIS 3 10.961 4.133 4.888
15 HE1 HIS 3 HE1 HIS 3 14.119 1.317 5.188
16 H MET 4 H MET 4 8.714 3.890 0.054
17 HA MET 4 HA MET 4 10.144 5.200 -2.163
18 HB2 MET 4 HB2 MET 4 8.508 4.138 -3.661
19 HB3 MET 4 HB3 MET 4 9.400 2.948 -2.722
20 HG2 MET 4 HG2 MET 4 7.389 2.069 -2.327
21 HG3 MET 4 HG3 MET 4 7.246 3.356 -1.132
22 HE1 MET 4 HE1 MET 4 5.918 2.116 -4.750
23 HE2 MET 4 HE2 MET 4 5.638 3.721 -5.424
24 HE3 MET 4 HE3 MET 4 7.266 3.236 -4.948
25 H GLN 5 H GLN 5 7.159 5.130 -0.295
26 HA GLN 5 HA GLN 5 5.835 7.184 -1.732
27 HB2 GLN 5 HB2 GLN 5 4.294 7.257 0.155
28 HB3 GLN 5 HB3 GLN 5 4.642 5.591 -0.290
29 HG2 GLN 5 HG2 GLN 5 6.300 6.828 1.833
30 HG3 GLN 5 HG3 GLN 5 4.633 6.409 2.222
31 HE21 GLN 5 HE21 GLN 5 4.168 4.125 0.972
32 HE22 GLN 5 HE22 GLN 5 5.253 2.883 1.486
33 H GLU 6 H GLU 6 8.407 7.221 0.498
34 HA GLU 6 HA GLU 6 7.934 9.858 1.539
35 HB2 GLU 6 HB2 GLU 6 10.054 9.627 2.638
36 HB3 GLU 6 HB3 GLU 6 9.206 8.093 2.767
37 HG2 GLU 6 HG2 GLU 6 10.554 7.145 1.014
38 HG3 GLU 6 HG3 GLU 6 11.336 8.698 0.730
39 H ALA 7 H ALA 7 8.842 11.771 0.914
40 HA ALA 7 HA ALA 7 10.363 11.727 -1.612
41 HB1 ALA 7 HB1 ALA 7 8.081 13.365 -0.713
42 HB2 ALA 7 HB2 ALA 7 9.352 14.218 -1.591
43 HB3 ALA 7 HB3 ALA 7 8.538 12.841 -2.334
44 H VAL 8 H VAL 8 12.072 13.187 -1.869
45 HA VAL 8 HA VAL 8 13.013 14.458 0.621
46 HB VAL 8 HB VAL 8 14.826 13.344 -1.516
47 HG11 VAL 8 HG11 VAL 8 16.429 13.402 0.476
48 HG12 VAL 8 HG12 VAL 8 15.985 14.945 -0.257
49 HG13 VAL 8 HG13 VAL 8 15.228 14.434 1.253
50 HG21 VAL 8 HG21 VAL 8 14.132 11.326 -0.804
51 HG22 VAL 8 HG22 VAL 8 15.155 11.668 0.592
52 HG23 VAL 8 HG23 VAL 8 13.421 11.977 0.673
53 H VAL 9 H VAL 9 13.706 16.527 0.505
54 HA VAL 9 HA VAL 9 13.815 17.775 -2.164
55 HB VAL 9 HB VAL 9 12.841 19.127 0.353
56 HG11 VAL 9 HG11 VAL 9 13.725 20.136 -2.126
57 HG12 VAL 9 HG12 VAL 9 11.971 20.329 -2.089
58 HG13 VAL 9 HG13 VAL 9 12.963 21.018 -0.803
59 HG21 VAL 9 HG21 VAL 9 11.248 17.426 -0.231
60 HG22 VAL 9 HG22 VAL 9 10.594 18.994 -0.703
61 HG23 VAL 9 HG23 VAL 9 11.275 17.920 -1.924
62 H LYS 10 H LYS 10 15.566 18.971 -2.615
63 HA LYS 10 HA LYS 10 17.510 19.401 -0.446
64 HB2 LYS 10 HB2 LYS 10 19.163 19.592 -2.383
65 HB3 LYS 10 HB3 LYS 10 18.514 17.993 -2.044
66 HG2 LYS 10 HG2 LYS 10 17.084 19.646 -4.042
67 HG3 LYS 10 HG3 LYS 10 18.656 18.985 -4.498
68 HD2 LYS 10 HD2 LYS 10 17.522 16.803 -3.391
69 HD3 LYS 10 HD3 LYS 10 16.085 17.618 -4.014
70 HE2 LYS 10 HE2 LYS 10 16.781 16.236 -5.770
71 HE3 LYS 10 HE3 LYS 10 17.380 17.835 -6.207
72 HZ1 LYS 10 HZ1 LYS 10 19.480 16.951 -4.909
73 HZ2 LYS 10 HZ2 LYS 10 19.249 16.625 -6.553
74 HZ3 LYS 10 HZ3 LYS 10 18.862 15.453 -5.397
75 H LEU 11 H LEU 11 18.068 21.417 0.089
76 HA LEU 11 HA LEU 11 17.365 23.597 -1.761
77 HB2 LEU 11 HB2 LEU 11 17.168 23.675 1.246
78 HB3 LEU 11 HB3 LEU 11 16.760 24.982 0.136
79 HG LEU 11 HG LEU 11 15.128 22.965 -0.733
80 HD11 LEU 11 HD11 LEU 11 15.783 22.511 2.108
81 HD12 LEU 11 HD12 LEU 11 15.215 21.384 0.876
82 HD13 LEU 11 HD13 LEU 11 14.073 22.462 1.679
83 HD21 LEU 11 HD21 LEU 11 14.821 25.349 1.008
84 HD22 LEU 11 HD22 LEU 11 13.455 24.240 0.882
85 HD23 LEU 11 HD23 LEU 11 14.114 24.996 -0.569
86 H ARG 12 H ARG 12 18.794 25.296 -1.921
87 HA ARG 12 HA ARG 12 21.508 24.740 -1.241
88 HB2 ARG 12 HB2 ARG 12 20.174 26.401 -3.061
89 HB3 ARG 12 HB3 ARG 12 21.047 27.495 -1.995
90 HG2 ARG 12 HG2 ARG 12 23.130 26.443 -2.509
91 HG3 ARG 12 HG3 ARG 12 22.315 25.162 -3.409
92 HD2 ARG 12 HD2 ARG 12 22.213 28.082 -4.146
93 HD3 ARG 12 HD3 ARG 12 23.355 26.929 -4.834
94 HE ARG 12 HE ARG 12 20.852 25.838 -5.213
95 HH11 ARG 12 HH11 ARG 12 22.522 28.746 -6.147
96 HH12 ARG 12 HH12 ARG 12 21.645 28.930 -7.630
97 HH21 ARG 12 HH21 ARG 12 19.690 26.068 -7.162
98 HH22 ARG 12 HH22 ARG 12 20.033 27.406 -8.206
99 H VAL 13 H VAL 13 22.745 25.502 0.386
100 HA VAL 13 HA VAL 13 21.396 27.096 2.447
101 HB VAL 13 HB VAL 13 24.023 25.680 2.810
102 HG11 VAL 13 HG11 VAL 13 23.845 26.347 4.924
103 HG12 VAL 13 HG12 VAL 13 22.474 27.342 4.430
104 HG13 VAL 13 HG13 VAL 13 22.205 25.711 5.047
105 HG21 VAL 13 HG21 VAL 13 22.254 23.979 3.943
106 HG22 VAL 13 HG22 VAL 13 21.336 24.510 2.535
107 HG23 VAL 13 HG23 VAL 13 22.924 23.773 2.325
108 H GLU 14 H GLU 14 22.300 28.955 3.295
109 HA GLU 14 HA GLU 14 24.412 30.165 1.648
110 HB2 GLU 14 HB2 GLU 14 22.236 31.345 1.725
111 HB3 GLU 14 HB3 GLU 14 22.408 31.511 3.467
112 HG2 GLU 14 HG2 GLU 14 23.604 33.351 3.222
113 HG3 GLU 14 HG3 GLU 14 24.754 32.514 2.180
114 H GLY 15 H GLY 15 23.762 28.911 4.741
115 HA2 GLY 15 HA2 GLY 15 25.943 30.435 5.982
116 HA3 GLY 15 HA3 GLY 15 24.778 29.428 6.831
117 H MET 16 H MET 16 25.752 27.761 4.146
118 HA MET 16 HA MET 16 27.103 25.776 5.592
119 HB2 MET 16 HB2 MET 16 26.018 25.923 3.108
120 HB3 MET 16 HB3 MET 16 27.731 25.975 2.714
121 HG2 MET 16 HG2 MET 16 27.837 23.782 2.928
122 HG3 MET 16 HG3 MET 16 27.381 23.931 4.624
123 HE1 MET 16 HE1 MET 16 25.338 22.978 5.603
124 HE2 MET 16 HE2 MET 16 24.569 24.488 5.113
125 HE3 MET 16 HE3 MET 16 23.762 22.948 4.811
126 H THR 17 H THR 17 29.350 25.087 4.177
127 HA THR 17 HA THR 17 31.592 25.458 3.985
128 HB THR 17 HB THR 17 31.248 28.421 4.230
129 HG1 THR 17 HG1 THR 17 30.277 26.761 2.161
130 HG21 THR 17 HG21 THR 17 33.470 27.879 3.844
131 HG22 THR 17 HG22 THR 17 32.875 28.171 2.210
132 HG23 THR 17 HG23 THR 17 33.063 26.519 2.799
133 H CYS 18 H CYS 18 30.206 25.258 6.577
134 HA CYS 18 HA CYS 18 32.194 26.637 8.260
135 HB2 CYS 18 HB2 CYS 18 29.716 27.281 8.504
136 HB3 CYS 18 HB3 CYS 18 29.505 25.696 9.240
137 HG CYS 18 HG CYS 18 31.101 28.423 10.459
138 H GLN 19 H GLN 19 30.591 23.645 7.493
139 HA GLN 19 HA GLN 19 31.007 21.481 8.058
140 HB2 GLN 19 HB2 GLN 19 33.343 22.266 7.411
141 HB3 GLN 19 HB3 GLN 19 33.659 22.426 9.133
142 HG2 GLN 19 HG2 GLN 19 32.921 19.977 9.295
143 HG3 GLN 19 HG3 GLN 19 33.131 19.946 7.545
144 HE21 GLN 19 HE21 GLN 19 35.098 19.598 6.758
145 HE22 GLN 19 HE22 GLN 19 36.560 19.599 7.678
146 H SER 20 H SER 20 29.312 22.141 9.735
147 HA SER 20 HA SER 20 29.880 20.867 12.160
148 HB2 SER 20 HB2 SER 20 31.024 23.315 12.242
149 HB3 SER 20 HB3 SER 20 29.413 23.715 12.837
150 HG SER 20 HG SER 20 30.266 23.053 14.659
151 H CYS 21 H CYS 21 27.933 23.246 10.459
152 HA CYS 21 HA CYS 21 25.626 23.103 12.055
153 HB2 CYS 21 HB2 CYS 21 24.445 23.999 10.069
154 HB3 CYS 21 HB3 CYS 21 25.924 24.882 10.430
155 HG CYS 21 HG CYS 21 27.364 24.031 8.326
156 H VAL 22 H VAL 22 26.814 21.074 9.460
157 HA VAL 22 HA VAL 22 24.514 19.666 8.799
158 HB VAL 22 HB VAL 22 27.342 18.609 8.943
159 HG11 VAL 22 HG11 VAL 22 24.801 17.475 7.878
160 HG12 VAL 22 HG12 VAL 22 26.310 17.137 7.029
161 HG13 VAL 22 HG13 VAL 22 26.127 16.676 8.722
162 HG21 VAL 22 HG21 VAL 22 25.985 20.431 7.129
163 HG22 VAL 22 HG22 VAL 22 27.704 20.073 7.295
164 HG23 VAL 22 HG23 VAL 22 26.680 19.039 6.299
165 H SER 23 H SER 23 26.875 19.008 11.369
166 HA SER 23 HA SER 23 25.661 16.641 12.307
167 HB2 SER 23 HB2 SER 23 27.854 18.356 13.087
168 HB3 SER 23 HB3 SER 23 26.936 17.843 14.502
169 HG SER 23 HG SER 23 27.919 16.095 12.494
170 H SER 24 H SER 24 25.204 20.037 13.110
171 HA SER 24 HA SER 24 23.547 19.625 15.370
172 HB2 SER 24 HB2 SER 24 23.832 21.989 13.505
173 HB3 SER 24 HB3 SER 24 22.866 22.015 14.980
174 HG SER 24 HG SER 24 24.689 22.575 15.869
175 H ILE 25 H ILE 25 22.864 20.126 11.936
176 HA ILE 25 HA ILE 25 20.050 20.235 12.180
177 HB ILE 25 HB ILE 25 21.655 19.340 9.784
178 HG12 ILE 25 HG12 ILE 25 20.556 22.093 10.010
179 HG13 ILE 25 HG13 ILE 25 21.979 21.719 10.975
180 HG21 ILE 25 HG21 ILE 25 19.223 18.812 9.754
181 HG22 ILE 25 HG22 ILE 25 18.894 20.538 9.901
182 HG23 ILE 25 HG23 ILE 25 19.730 19.918 8.478
183 HD11 ILE 25 HD11 ILE 25 21.822 21.238 8.015
184 HD12 ILE 25 HD12 ILE 25 22.429 22.730 8.734
185 HD13 ILE 25 HD13 ILE 25 23.252 21.202 9.047
186 H GLU 26 H GLU 26 22.325 17.597 11.954
187 HA GLU 26 HA GLU 26 20.553 15.546 11.213
188 HB2 GLU 26 HB2 GLU 26 23.277 15.766 12.007
189 HB3 GLU 26 HB3 GLU 26 22.533 14.511 12.989
190 HG2 GLU 26 HG2 GLU 26 22.180 14.547 10.019
191 HG3 GLU 26 HG3 GLU 26 23.626 13.861 10.757
192 H GLY 27 H GLY 27 21.387 16.918 14.353
193 HA2 GLY 27 HA2 GLY 27 20.121 15.000 15.972
194 HA3 GLY 27 HA3 GLY 27 20.440 16.667 16.427
195 H LYS 28 H LYS 28 18.850 17.759 14.228
196 HA LYS 28 HA LYS 28 16.376 17.975 15.544
197 HB2 LYS 28 HB2 LYS 28 17.400 18.779 12.849
198 HB3 LYS 28 HB3 LYS 28 15.677 18.895 13.181
199 HG2 LYS 28 HG2 LYS 28 17.856 20.228 14.776
200 HG3 LYS 28 HG3 LYS 28 16.832 21.012 13.571
201 HD2 LYS 28 HD2 LYS 28 14.878 20.112 15.033
202 HD3 LYS 28 HD3 LYS 28 16.115 19.976 16.286
203 HE2 LYS 28 HE2 LYS 28 16.650 22.448 15.522
204 HE3 LYS 28 HE3 LYS 28 14.971 22.398 14.987
205 HZ1 LYS 28 HZ1 LYS 28 14.251 22.548 17.071
206 HZ2 LYS 28 HZ2 LYS 28 15.833 22.955 17.510
207 HZ3 LYS 28 HZ3 LYS 28 15.309 21.351 17.628
208 H VAL 29 H VAL 29 17.466 15.925 12.903
209 HA VAL 29 HA VAL 29 15.069 14.959 11.934
210 HB VAL 29 HB VAL 29 17.702 13.535 12.295
211 HG11 VAL 29 HG11 VAL 29 15.984 11.844 12.221
212 HG12 VAL 29 HG12 VAL 29 15.241 12.612 10.816
213 HG13 VAL 29 HG13 VAL 29 16.838 11.873 10.678
214 HG21 VAL 29 HG21 VAL 29 17.317 15.571 10.712
215 HG22 VAL 29 HG22 VAL 29 18.199 14.159 10.128
216 HG23 VAL 29 HG23 VAL 29 16.505 14.383 9.692
217 H ARG 30 H ARG 30 16.921 13.818 14.737
218 HA ARG 30 HA ARG 30 15.242 11.654 15.386
219 HB2 ARG 30 HB2 ARG 30 17.568 12.053 16.259
220 HB3 ARG 30 HB3 ARG 30 16.894 13.286 17.317
221 HG2 ARG 30 HG2 ARG 30 17.148 11.287 18.581
222 HG3 ARG 30 HG3 ARG 30 15.423 11.535 18.305
223 HD2 ARG 30 HD2 ARG 30 15.465 9.918 16.487
224 HD3 ARG 30 HD3 ARG 30 17.201 9.700 16.703
225 HE ARG 30 HE ARG 30 15.705 9.161 19.084
226 HH11 ARG 30 HH11 ARG 30 16.792 7.830 16.057
227 HH12 ARG 30 HH12 ARG 30 16.724 6.188 16.605
228 HH21 ARG 30 HH21 ARG 30 15.612 7.004 19.818
229 HH22 ARG 30 HH22 ARG 30 16.052 5.719 18.745
230 H LYS 31 H LYS 31 14.942 15.058 15.896
231 HA LYS 31 HA LYS 31 12.832 14.728 17.883
232 HB2 LYS 31 HB2 LYS 31 14.060 17.215 16.679
233 HB3 LYS 31 HB3 LYS 31 12.831 17.210 17.937
234 HG2 LYS 31 HG2 LYS 31 15.449 15.801 18.307
235 HG3 LYS 31 HG3 LYS 31 15.268 17.526 18.635
236 HD2 LYS 31 HD2 LYS 31 13.316 15.607 19.824
237 HD3 LYS 31 HD3 LYS 31 14.923 15.754 20.541
238 HE2 LYS 31 HE2 LYS 31 13.780 17.339 21.740
239 HE3 LYS 31 HE3 LYS 31 14.395 18.322 20.412
240 HZ1 LYS 31 HZ1 LYS 31 11.854 18.314 21.144
241 HZ2 LYS 31 HZ2 LYS 31 11.801 17.066 20.004
242 HZ3 LYS 31 HZ3 LYS 31 12.344 18.603 19.551
243 H LEU 32 H LEU 32 13.182 14.995 14.520
244 HA LEU 32 HA LEU 32 10.692 16.300 13.964
245 HB2 LEU 32 HB2 LEU 32 12.899 15.126 12.439
246 HB3 LEU 32 HB3 LEU 32 11.319 14.939 11.680
247 HG LEU 32 HG LEU 32 12.489 16.910 10.844
248 HD11 LEU 32 HD11 LEU 32 9.876 16.776 11.721
249 HD12 LEU 32 HD12 LEU 32 10.553 17.988 10.634
250 HD13 LEU 32 HD13 LEU 32 10.455 18.312 12.365
251 HD21 LEU 32 HD21 LEU 32 12.853 17.404 13.721
252 HD22 LEU 32 HD22 LEU 32 12.428 18.819 12.758
253 HD23 LEU 32 HD23 LEU 32 13.859 17.871 12.349
254 H GLN 33 H GLN 33 8.727 15.430 13.558
255 HA GLN 33 HA GLN 33 8.328 12.659 14.304
256 HB2 GLN 33 HB2 GLN 33 5.930 13.202 14.164
257 HB3 GLN 33 HB3 GLN 33 6.802 14.331 15.192
258 HG2 GLN 33 HG2 GLN 33 6.872 15.928 13.307
259 HG3 GLN 33 HG3 GLN 33 5.891 14.807 12.364
260 HE21 GLN 33 HE21 GLN 33 5.950 16.987 15.078
261 HE22 GLN 33 HE22 GLN 33 4.237 17.121 15.264
262 H GLY 34 H GLY 34 7.898 14.709 11.449
263 HA2 GLY 34 HA2 GLY 34 7.030 12.408 9.874
264 HA3 GLY 34 HA3 GLY 34 7.070 14.080 9.337
265 H VAL 35 H VAL 35 9.541 14.925 9.571
266 HA VAL 35 HA VAL 35 10.938 13.981 7.435
267 HB VAL 35 HB VAL 35 11.475 15.786 9.550
268 HG11 VAL 35 HG11 VAL 35 12.938 14.081 10.509
269 HG12 VAL 35 HG12 VAL 35 13.804 13.955 8.977
270 HG13 VAL 35 HG13 VAL 35 13.868 15.453 9.907
271 HG21 VAL 35 HG21 VAL 35 11.537 16.123 7.056
272 HG22 VAL 35 HG22 VAL 35 12.874 16.849 7.949
273 HG23 VAL 35 HG23 VAL 35 13.118 15.342 7.066
274 H VAL 36 H VAL 36 12.321 12.355 6.976
275 HA VAL 36 HA VAL 36 12.584 10.235 8.960
276 HB VAL 36 HB VAL 36 13.613 10.071 6.144
277 HG11 VAL 36 HG11 VAL 36 12.249 7.816 7.457
278 HG12 VAL 36 HG12 VAL 36 13.732 7.848 6.501
279 HG13 VAL 36 HG13 VAL 36 13.765 8.327 8.199
280 HG21 VAL 36 HG21 VAL 36 10.761 9.847 7.073
281 HG22 VAL 36 HG22 VAL 36 11.413 10.849 5.775
282 HG23 VAL 36 HG23 VAL 36 11.339 9.097 5.585
283 H ARG 37 H ARG 37 14.663 12.181 6.831
284 HA ARG 37 HA ARG 37 16.748 12.303 8.762
285 HB2 ARG 37 HB2 ARG 37 16.756 10.028 7.059
286 HB3 ARG 37 HB3 ARG 37 18.068 11.079 6.543
287 HG2 ARG 37 HG2 ARG 37 19.283 10.681 8.386
288 HG3 ARG 37 HG3 ARG 37 17.871 10.687 9.444
289 HD2 ARG 37 HD2 ARG 37 17.292 8.428 8.465
290 HD3 ARG 37 HD3 ARG 37 18.893 8.438 7.725
291 HE ARG 37 HE ARG 37 19.093 8.948 10.498
292 HH11 ARG 37 HH11 ARG 37 18.454 6.385 8.230
293 HH12 ARG 37 HH12 ARG 37 19.038 5.136 9.278
294 HH21 ARG 37 HH21 ARG 37 19.864 7.312 11.887
295 HH22 ARG 37 HH22 ARG 37 19.839 5.664 11.359
296 H VAL 38 H VAL 38 18.570 13.585 8.031
297 HA VAL 38 HA VAL 38 18.031 15.105 5.567
298 HB VAL 38 HB VAL 38 18.795 17.157 6.695
299 HG11 VAL 38 HG11 VAL 38 16.752 17.035 8.474
300 HG12 VAL 38 HG12 VAL 38 16.551 17.311 6.742
301 HG13 VAL 38 HG13 VAL 38 16.353 15.689 7.407
302 HG21 VAL 38 HG21 VAL 38 18.515 16.745 9.372
303 HG22 VAL 38 HG22 VAL 38 19.316 15.258 8.866
304 HG23 VAL 38 HG23 VAL 38 20.058 16.820 8.521
305 H LYS 39 H LYS 39 19.700 15.166 4.220
306 HA LYS 39 HA LYS 39 22.384 14.589 5.292
307 HB2 LYS 39 HB2 LYS 39 21.640 12.815 3.829
308 HB3 LYS 39 HB3 LYS 39 21.201 13.973 2.580
309 HG2 LYS 39 HG2 LYS 39 23.594 14.604 2.401
310 HG3 LYS 39 HG3 LYS 39 23.976 13.316 3.545
311 HD2 LYS 39 HD2 LYS 39 22.516 12.865 0.947
312 HD3 LYS 39 HD3 LYS 39 24.265 12.712 1.124
313 HE2 LYS 39 HE2 LYS 39 23.915 10.999 2.857
314 HE3 LYS 39 HE3 LYS 39 22.174 11.133 2.621
315 HZ1 LYS 39 HZ1 LYS 39 22.441 10.383 0.355
316 HZ2 LYS 39 HZ2 LYS 39 23.124 9.254 1.414
317 HZ3 LYS 39 HZ3 LYS 39 24.121 10.303 0.538
318 H VAL 40 H VAL 40 23.784 16.208 5.213
319 HA VAL 40 HA VAL 40 23.322 18.373 3.268
320 HB VAL 40 HB VAL 40 24.760 18.523 5.921
321 HG11 VAL 40 HG11 VAL 40 24.046 20.714 3.974
322 HG12 VAL 40 HG12 VAL 40 24.855 20.918 5.529
323 HG13 VAL 40 HG13 VAL 40 25.662 20.052 4.221
324 HG21 VAL 40 HG21 VAL 40 22.602 18.489 6.633
325 HG22 VAL 40 HG22 VAL 40 22.706 20.198 6.211
326 HG23 VAL 40 HG23 VAL 40 21.966 19.057 5.089
327 H SER 41 H SER 41 24.905 18.930 1.880
328 HA SER 41 HA SER 41 27.440 17.442 2.074
329 HB2 SER 41 HB2 SER 41 25.986 16.957 0.084
330 HB3 SER 41 HB3 SER 41 26.207 18.633 -0.420
331 HG SER 41 HG SER 41 28.037 16.519 -0.385
332 H LEU 42 H LEU 42 28.940 18.720 2.952
333 HA LEU 42 HA LEU 42 28.920 21.548 2.812
334 HB2 LEU 42 HB2 LEU 42 29.982 20.255 4.622
335 HB3 LEU 42 HB3 LEU 42 31.205 19.698 3.483
336 HG LEU 42 HG LEU 42 31.544 22.337 3.207
337 HD11 LEU 42 HD11 LEU 42 29.827 22.976 4.773
338 HD12 LEU 42 HD12 LEU 42 31.409 23.387 5.436
339 HD13 LEU 42 HD13 LEU 42 30.547 21.966 6.027
340 HD21 LEU 42 HD21 LEU 42 33.513 21.434 3.754
341 HD22 LEU 42 HD22 LEU 42 32.769 20.223 4.799
342 HD23 LEU 42 HD23 LEU 42 33.093 21.843 5.418
343 H SER 43 H SER 43 30.352 19.055 0.841
344 HA SER 43 HA SER 43 32.204 20.726 -0.532
345 HB2 SER 43 HB2 SER 43 31.094 17.978 -0.968
346 HB3 SER 43 HB3 SER 43 31.982 18.764 -2.273
347 HG SER 43 HG SER 43 32.960 17.520 -0.148
348 H ASN 44 H ASN 44 28.833 19.933 -0.961
349 HA ASN 44 HA ASN 44 28.770 21.380 -3.512
350 HB2 ASN 44 HB2 ASN 44 27.664 19.035 -3.047
351 HB3 ASN 44 HB3 ASN 44 26.372 20.012 -2.354
352 HD21 ASN 44 HD21 ASN 44 27.245 18.457 -5.037
353 HD22 ASN 44 HD22 ASN 44 26.440 19.409 -6.234
354 H GLN 45 H GLN 45 28.488 22.051 -0.323
355 HA GLN 45 HA GLN 45 27.489 23.676 0.927
356 HB2 GLN 45 HB2 GLN 45 27.269 25.196 -1.668
357 HB3 GLN 45 HB3 GLN 45 27.448 25.851 -0.045
358 HG2 GLN 45 HG2 GLN 45 29.698 24.550 -0.059
359 HG3 GLN 45 HG3 GLN 45 29.488 24.580 -1.809
360 HE21 GLN 45 HE21 GLN 45 31.485 25.829 -1.725
361 HE22 GLN 45 HE22 GLN 45 31.393 27.533 -1.455
362 H GLU 46 H GLU 46 25.712 21.694 0.076
363 HA GLU 46 HA GLU 46 23.229 23.257 -0.121
364 HB2 GLU 46 HB2 GLU 46 22.302 21.883 -1.742
365 HB3 GLU 46 HB3 GLU 46 23.976 21.987 -2.266
366 HG2 GLU 46 HG2 GLU 46 24.123 19.817 -0.693
367 HG3 GLU 46 HG3 GLU 46 22.451 19.691 -1.235
368 H ALA 47 H ALA 47 21.309 22.029 0.645
369 HA ALA 47 HA ALA 47 22.007 20.034 2.694
370 HB1 ALA 47 HB1 ALA 47 20.270 22.468 3.024
371 HB2 ALA 47 HB2 ALA 47 20.238 21.103 4.141
372 HB3 ALA 47 HB3 ALA 47 21.721 22.034 3.928
373 H VAL 48 H VAL 48 20.844 18.232 2.559
374 HA VAL 48 HA VAL 48 18.378 18.280 0.952
375 HB VAL 48 HB VAL 48 20.035 15.856 1.650
376 HG11 VAL 48 HG11 VAL 48 18.242 16.019 -0.711
377 HG12 VAL 48 HG12 VAL 48 18.653 14.637 0.307
378 HG13 VAL 48 HG13 VAL 48 17.501 15.845 0.879
379 HG21 VAL 48 HG21 VAL 48 20.582 16.129 -0.913
380 HG22 VAL 48 HG22 VAL 48 20.286 17.832 -0.563
381 HG23 VAL 48 HG23 VAL 48 21.539 16.956 0.316
382 H ILE 49 H ILE 49 16.478 17.751 1.844
383 HA ILE 49 HA ILE 49 16.500 16.604 4.560
384 HB ILE 49 HB ILE 49 14.505 18.597 3.479
385 HG12 ILE 49 HG12 ILE 49 15.904 19.559 5.762
386 HG13 ILE 49 HG13 ILE 49 17.103 18.982 4.609
387 HG21 ILE 49 HG21 ILE 49 14.055 18.648 6.080
388 HG22 ILE 49 HG22 ILE 49 13.278 17.461 5.033
389 HG23 ILE 49 HG23 ILE 49 14.693 17.006 5.982
390 HD11 ILE 49 HD11 ILE 49 14.892 20.850 3.825
391 HD12 ILE 49 HD12 ILE 49 16.442 21.414 4.452
392 HD13 ILE 49 HD13 ILE 49 16.381 20.483 2.955
393 H THR 50 H THR 50 15.686 14.625 4.553
394 HA THR 50 HA THR 50 13.777 13.847 2.477
395 HB THR 50 HB THR 50 15.237 12.128 4.493
396 HG1 THR 50 HG1 THR 50 16.806 12.507 3.105
397 HG21 THR 50 HG21 THR 50 13.045 11.591 2.667
398 HG22 THR 50 HG22 THR 50 13.718 10.581 3.946
399 HG23 THR 50 HG23 THR 50 14.444 10.569 2.339
400 H TYR 51 H TYR 51 11.675 13.767 2.884
401 HA TYR 51 HA TYR 51 10.769 13.186 5.616
402 HB2 TYR 51 HB2 TYR 51 9.324 15.002 5.727
403 HB3 TYR 51 HB3 TYR 51 10.727 15.701 4.925
404 HD1 TYR 51 HD1 TYR 51 10.592 15.293 2.217
405 HD2 TYR 51 HD2 TYR 51 7.293 15.661 4.879
406 HE1 TYR 51 HE1 TYR 51 9.168 16.010 0.344
407 HE2 TYR 51 HE2 TYR 51 5.860 16.378 3.013
408 HH TYR 51 HH TYR 51 6.010 15.937 0.303
409 H GLN 52 H GLN 52 8.263 12.868 5.550
410 HA GLN 52 HA GLN 52 7.605 11.272 3.162
411 HB2 GLN 52 HB2 GLN 52 8.071 10.181 5.573
412 HB3 GLN 52 HB3 GLN 52 6.361 10.550 5.757
413 HG2 GLN 52 HG2 GLN 52 5.803 9.211 3.854
414 HG3 GLN 52 HG3 GLN 52 7.506 8.965 3.472
415 HE21 GLN 52 HE21 GLN 52 8.780 7.709 4.942
416 HE22 GLN 52 HE22 GLN 52 8.031 6.493 5.915
417 HA PRO 53 HA PRO 53 4.078 13.905 2.824
418 HB2 PRO 53 HB2 PRO 53 2.647 12.385 1.089
419 HB3 PRO 53 HB3 PRO 53 4.061 13.326 0.601
420 HG2 PRO 53 HG2 PRO 53 3.853 10.406 1.228
421 HG3 PRO 53 HG3 PRO 53 4.725 11.208 -0.092
422 HD2 PRO 53 HD2 PRO 53 5.964 10.329 2.149
423 HD3 PRO 53 HD3 PRO 53 6.511 11.762 1.255
424 H TYR 54 H TYR 54 3.915 10.590 3.863
425 HA TYR 54 HA TYR 54 1.126 10.684 4.580
426 HB2 TYR 54 HB2 TYR 54 1.843 8.528 4.022
427 HB3 TYR 54 HB3 TYR 54 3.335 8.681 4.944
428 HD1 TYR 54 HD2 TYR 54 3.320 8.417 7.385
429 HD2 TYR 54 HD1 TYR 54 -0.209 7.847 5.079
430 HE1 TYR 54 HE2 TYR 54 2.267 7.273 9.291
431 HE2 TYR 54 HE1 TYR 54 -1.273 6.703 6.978
432 HH TYR 54 HH TYR 54 0.019 5.337 9.259
433 H LEU 55 H LEU 55 4.021 11.744 5.976
434 HA LEU 55 HA LEU 55 2.826 11.773 8.665
435 HB2 LEU 55 HB2 LEU 55 5.710 12.288 7.993
436 HB3 LEU 55 HB3 LEU 55 5.009 11.941 9.572
437 HG LEU 55 HG LEU 55 4.931 9.901 7.376
438 HD11 LEU 55 HD11 LEU 55 7.029 9.014 8.047
439 HD12 LEU 55 HD12 LEU 55 7.166 10.167 9.374
440 HD13 LEU 55 HD13 LEU 55 7.279 10.727 7.706
441 HD21 LEU 55 HD21 LEU 55 4.642 8.357 9.131
442 HD22 LEU 55 HD22 LEU 55 3.589 9.717 9.520
443 HD23 LEU 55 HD23 LEU 55 5.133 9.531 10.353
444 H ILE 56 H ILE 56 5.210 13.797 6.956
445 HA ILE 56 HA ILE 56 3.627 16.156 7.746
446 HB ILE 56 HB ILE 56 5.690 16.016 9.066
447 HG12 ILE 56 HG12 ILE 56 5.816 18.216 6.992
448 HG13 ILE 56 HG13 ILE 56 4.755 18.219 8.397
449 HG21 ILE 56 HG21 ILE 56 6.837 14.927 6.881
450 HG22 ILE 56 HG22 ILE 56 7.446 16.578 6.772
451 HG23 ILE 56 HG23 ILE 56 7.743 15.623 8.224
452 HD11 ILE 56 HD11 ILE 56 6.423 19.429 9.288
453 HD12 ILE 56 HD12 ILE 56 7.123 17.841 9.603
454 HD13 ILE 56 HD13 ILE 56 7.636 18.767 8.193
455 H GLN 57 H GLN 57 3.741 17.984 6.336
456 HA GLN 57 HA GLN 57 3.942 17.207 3.551
457 HB2 GLN 57 HB2 GLN 57 2.607 19.316 5.081
458 HB3 GLN 57 HB3 GLN 57 3.297 19.883 3.566
459 HG2 GLN 57 HG2 GLN 57 2.080 18.066 2.396
460 HG3 GLN 57 HG3 GLN 57 1.308 17.655 3.926
461 HE21 GLN 57 HE21 GLN 57 0.380 18.781 1.256
462 HE22 GLN 57 HE22 GLN 57 -0.602 20.132 1.699
463 HA PRO 58 HA PRO 58 7.735 19.144 2.507
464 HB2 PRO 58 HB2 PRO 58 7.165 20.521 0.237
465 HB3 PRO 58 HB3 PRO 58 7.255 18.757 0.293
466 HG2 PRO 58 HG2 PRO 58 4.847 20.533 0.369
467 HG3 PRO 58 HG3 PRO 58 5.098 19.026 -0.531
468 HD2 PRO 58 HD2 PRO 58 3.701 19.123 1.786
469 HD3 PRO 58 HD3 PRO 58 4.658 17.707 1.307
470 H GLU 59 H GLU 59 5.035 21.447 2.161
471 HA GLU 59 HA GLU 59 6.562 23.786 2.416
472 HB2 GLU 59 HB2 GLU 59 3.664 23.141 2.843
473 HB3 GLU 59 HB3 GLU 59 4.282 24.735 3.253
474 HG2 GLU 59 HG2 GLU 59 5.192 24.820 0.883
475 HG3 GLU 59 HG3 GLU 59 4.181 23.412 0.564
476 H ASP 60 H ASP 60 5.087 21.684 4.815
477 HA ASP 60 HA ASP 60 5.490 23.394 7.043
478 HB2 ASP 60 HB2 ASP 60 4.342 20.845 6.567
479 HB3 ASP 60 HB3 ASP 60 5.548 20.641 7.835
480 H LEU 61 H LEU 61 7.390 20.770 5.622
481 HA LEU 61 HA LEU 61 9.405 20.743 7.610
482 HB2 LEU 61 HB2 LEU 61 10.351 19.104 6.389
483 HB3 LEU 61 HB3 LEU 61 8.779 19.107 5.592
484 HG LEU 61 HG LEU 61 9.972 20.824 3.985
485 HD11 LEU 61 HD11 LEU 61 12.381 19.271 4.145
486 HD12 LEU 61 HD12 LEU 61 12.093 20.113 5.667
487 HD13 LEU 61 HD13 LEU 61 12.173 21.022 4.158
488 HD21 LEU 61 HD21 LEU 61 10.860 18.030 3.548
489 HD22 LEU 61 HD22 LEU 61 10.029 19.142 2.459
490 HD23 LEU 61 HD23 LEU 61 9.128 18.313 3.730
491 H ARG 62 H ARG 62 8.830 22.732 4.829
492 HA ARG 62 HA ARG 62 11.409 23.702 4.351
493 HB2 ARG 62 HB2 ARG 62 9.666 24.158 2.772
494 HB3 ARG 62 HB3 ARG 62 8.703 24.988 3.987
495 HG2 ARG 62 HG2 ARG 62 9.710 26.924 3.584
496 HG3 ARG 62 HG3 ARG 62 11.313 26.195 3.697
497 HD2 ARG 62 HD2 ARG 62 11.539 26.160 1.482
498 HD3 ARG 62 HD3 ARG 62 9.963 25.398 1.271
499 HE ARG 62 HE ARG 62 10.593 28.156 0.916
500 HH11 ARG 62 HH11 ARG 62 8.071 25.960 1.882
501 HH12 ARG 62 HH12 ARG 62 6.786 27.040 1.451
502 HH21 ARG 62 HH21 ARG 62 8.911 29.587 0.345
503 HH22 ARG 62 HH22 ARG 62 7.265 29.102 0.576
504 H ASP 63 H ASP 63 8.904 24.812 6.592
505 HA ASP 63 HA ASP 63 10.295 27.095 7.513
506 HB2 ASP 63 HB2 ASP 63 7.892 26.851 7.844
507 HB3 ASP 63 HB3 ASP 63 8.154 25.440 8.865
508 H HIS 64 H HIS 64 10.226 23.735 8.568
509 HA HIS 64 HA HIS 64 11.524 23.951 11.007
510 HB2 HIS 64 HB2 HIS 64 10.658 21.831 10.473
511 HB3 HIS 64 HB3 HIS 64 11.487 21.785 8.920
512 HD1 HIS 64 HD1 HIS 64 12.752 22.175 12.497
513 HD2 HIS 64 HD2 HIS 64 13.408 19.904 9.080
514 HE1 HIS 64 HE1 HIS 64 14.650 20.629 13.072
515 H VAL 65 H VAL 65 12.871 23.866 7.749
516 HA VAL 65 HA VAL 65 15.571 23.580 8.381
517 HB VAL 65 HB VAL 65 14.451 25.231 6.114
518 HG11 VAL 65 HG11 VAL 65 16.702 25.665 6.053
519 HG12 VAL 65 HG12 VAL 65 17.133 24.104 6.756
520 HG13 VAL 65 HG13 VAL 65 16.630 24.204 5.068
521 HG21 VAL 65 HG21 VAL 65 14.692 22.285 6.511
522 HG22 VAL 65 HG22 VAL 65 13.402 23.217 5.749
523 HG23 VAL 65 HG23 VAL 65 14.924 22.958 4.897
524 H ASN 66 H ASN 66 13.604 26.519 8.097
525 HA ASN 66 HA ASN 66 15.696 28.352 8.549
526 HB2 ASN 66 HB2 ASN 66 12.896 28.465 8.099
527 HB3 ASN 66 HB3 ASN 66 13.225 29.387 9.563
528 HD21 ASN 66 HD21 ASN 66 13.243 31.447 9.025
529 HD22 ASN 66 HD22 ASN 66 14.094 32.138 7.689
530 H ASP 67 H ASP 67 14.015 26.245 10.651
531 HA ASP 67 HA ASP 67 14.248 27.701 13.069
532 HB2 ASP 67 HB2 ASP 67 12.842 25.576 12.514
533 HB3 ASP 67 HB3 ASP 67 14.301 24.702 12.972
534 H MET 68 H MET 68 16.494 25.888 11.185
535 HA MET 68 HA MET 68 18.354 25.327 13.278
536 HB2 MET 68 HB2 MET 68 18.565 25.325 10.272
537 HB3 MET 68 HB3 MET 68 19.938 24.961 11.308
538 HG2 MET 68 HG2 MET 68 17.329 23.461 11.278
539 HG3 MET 68 HG3 MET 68 18.820 22.945 10.492
540 HE1 MET 68 HE1 MET 68 20.939 23.791 13.528
541 HE2 MET 68 HE2 MET 68 21.234 22.114 13.069
542 HE3 MET 68 HE3 MET 68 20.981 23.338 11.824
543 H GLY 69 H GLY 69 17.509 28.148 11.620
544 HA2 GLY 69 HA2 GLY 69 18.345 30.277 12.250
545 HA3 GLY 69 HA3 GLY 69 19.849 29.512 12.742
546 H PHE 70 H PHE 70 19.607 27.982 10.055
547 HA PHE 70 HA PHE 70 21.116 29.969 8.550
548 HB2 PHE 70 HB2 PHE 70 20.641 27.061 7.875
549 HB3 PHE 70 HB3 PHE 70 21.846 28.130 7.165
550 HD1 PHE 70 HD2 PHE 70 23.811 28.820 8.464
551 HD2 PHE 70 HD1 PHE 70 20.999 26.007 9.980
552 HE1 PHE 70 HE2 PHE 70 25.440 28.115 10.168
553 HE2 PHE 70 HE1 PHE 70 22.624 25.297 11.687
554 HZ PHE 70 HZ PHE 70 24.848 26.351 11.781
555 H GLU 71 H GLU 71 20.719 30.312 6.269
556 HA GLU 71 HA GLU 71 17.850 30.342 5.692
557 HB2 GLU 71 HB2 GLU 71 20.006 31.726 4.108
558 HB3 GLU 71 HB3 GLU 71 18.285 32.084 4.142
559 HG2 GLU 71 HG2 GLU 71 20.268 32.548 6.356
560 HG3 GLU 71 HG3 GLU 71 19.486 33.771 5.357
561 H ALA 72 H ALA 72 16.974 28.985 4.280
562 HA ALA 72 HA ALA 72 18.742 27.651 2.334
563 HB1 ALA 72 HB1 ALA 72 16.322 26.474 3.696
564 HB2 ALA 72 HB2 ALA 72 17.353 25.663 2.517
565 HB3 ALA 72 HB3 ALA 72 18.002 26.114 4.094
566 H ALA 73 H ALA 73 18.055 27.488 0.243
567 HA ALA 73 HA ALA 73 15.375 28.495 -0.411
568 HB1 ALA 73 HB1 ALA 73 16.098 30.256 -1.570
569 HB2 ALA 73 HB2 ALA 73 17.647 30.016 -0.762
570 HB3 ALA 73 HB3 ALA 73 17.369 29.319 -2.357
571 H ILE 74 H ILE 74 14.455 27.650 -2.281
572 HA ILE 74 HA ILE 74 14.957 25.037 -2.944
573 HB ILE 74 HB ILE 74 13.754 27.154 -4.730
574 HG12 ILE 74 HG12 ILE 74 11.826 25.364 -3.671
575 HG13 ILE 74 HG13 ILE 74 12.838 25.883 -2.328
576 HG21 ILE 74 HG21 ILE 74 13.557 24.150 -4.902
577 HG22 ILE 74 HG22 ILE 74 12.698 25.303 -5.921
578 HG23 ILE 74 HG23 ILE 74 14.456 25.193 -6.004
579 HD11 ILE 74 HD11 ILE 74 11.888 27.884 -2.285
580 HD12 ILE 74 HD12 ILE 74 12.088 28.099 -4.024
581 HD13 ILE 74 HD13 ILE 74 10.684 27.236 -3.398
582 H LYS 75 H LYS 75 16.104 23.952 -4.504
583 HA LYS 75 HA LYS 75 18.383 25.383 -5.608
584 HB2 LYS 75 HB2 LYS 75 19.318 23.215 -6.069
585 HB3 LYS 75 HB3 LYS 75 18.662 23.199 -4.438
586 HG2 LYS 75 HG2 LYS 75 17.308 21.512 -4.920
587 HG3 LYS 75 HG3 LYS 75 16.687 22.337 -6.352
588 HD2 LYS 75 HD2 LYS 75 19.013 21.622 -7.360
589 HD3 LYS 75 HD3 LYS 75 18.933 20.394 -6.095
590 HE2 LYS 75 HE2 LYS 75 16.690 19.746 -6.952
591 HE3 LYS 75 HE3 LYS 75 16.911 20.886 -8.278
592 HZ1 LYS 75 HZ1 LYS 75 18.648 18.546 -7.709
593 HZ2 LYS 75 HZ2 LYS 75 18.852 19.637 -8.985
594 HZ3 LYS 75 HZ3 LYS 75 17.489 18.636 -8.937
595 H SER 76 H SER 76 18.761 23.494 -7.791
596 HA SER 76 HA SER 76 16.584 24.278 -9.607
597 HB2 SER 76 HB2 SER 76 18.412 25.837 -9.991
598 HB3 SER 76 HB3 SER 76 19.553 24.503 -10.159
599 HG SER 76 HG SER 76 18.959 24.298 -12.157
Start of MODEL 5
1 H1 ALA 1 H ALA 1 8.461 4.274 9.531
2 HA ALA 1 HA ALA 1 8.211 1.569 8.612
3 HB1 ALA 1 HB1 ALA 1 7.368 0.887 10.620
4 HB2 ALA 1 HB2 ALA 1 6.712 2.477 11.012
5 HB3 ALA 1 HB3 ALA 1 5.883 1.443 9.849
6 H GLY 2 H GLY 2 7.096 1.565 6.759
7 HA2 GLY 2 HA2 GLY 2 4.731 2.762 6.129
8 HA3 GLY 2 HA3 GLY 2 5.921 4.016 5.817
9 H HIS 3 H HIS 3 5.669 4.087 3.613
10 HA HIS 3 HA HIS 3 6.299 1.617 2.140
11 HB2 HIS 3 HB2 HIS 3 5.275 2.899 0.174
12 HB3 HIS 3 HB3 HIS 3 4.171 2.347 1.430
13 HD1 HIS 3 HD1 HIS 3 6.282 5.455 1.733
14 HD2 HIS 3 HD2 HIS 3 2.317 4.365 1.138
15 HE1 HIS 3 HE1 HIS 3 4.961 7.586 1.932
16 H MET 4 H MET 4 7.190 2.344 -0.190
17 HA MET 4 HA MET 4 9.652 3.800 0.411
18 HB2 MET 4 HB2 MET 4 8.838 1.820 -1.681
19 HB3 MET 4 HB3 MET 4 10.198 2.891 -1.992
20 HG2 MET 4 HG2 MET 4 10.938 2.026 0.400
21 HG3 MET 4 HG3 MET 4 9.941 0.652 -0.074
22 HE1 MET 4 HE1 MET 4 11.506 -0.976 0.051
23 HE2 MET 4 HE2 MET 4 11.218 -1.432 -1.629
24 HE3 MET 4 HE3 MET 4 12.870 -1.283 -1.025
25 H GLN 5 H GLN 5 7.023 5.107 -0.073
26 HA GLN 5 HA GLN 5 7.462 6.484 -2.607
27 HB2 GLN 5 HB2 GLN 5 5.173 5.648 -1.581
28 HB3 GLN 5 HB3 GLN 5 5.236 7.197 -0.750
29 HG2 GLN 5 HG2 GLN 5 5.720 8.091 -3.181
30 HG3 GLN 5 HG3 GLN 5 4.894 6.601 -3.637
31 HE21 GLN 5 HE21 GLN 5 3.961 9.217 -4.153
32 HE22 GLN 5 HE22 GLN 5 2.478 9.430 -3.293
33 H GLU 6 H GLU 6 9.001 6.780 0.067
34 HA GLU 6 HA GLU 6 8.541 9.404 1.007
35 HB2 GLU 6 HB2 GLU 6 10.792 9.195 2.031
36 HB3 GLU 6 HB3 GLU 6 9.751 7.820 2.368
37 HG2 GLU 6 HG2 GLU 6 10.910 6.443 0.841
38 HG3 GLU 6 HG3 GLU 6 11.771 7.816 0.148
39 H ALA 7 H ALA 7 9.434 11.350 0.472
40 HA ALA 7 HA ALA 7 11.097 11.403 -1.963
41 HB1 ALA 7 HB1 ALA 7 8.896 13.263 -1.098
42 HB2 ALA 7 HB2 ALA 7 10.048 13.660 -2.373
43 HB3 ALA 7 HB3 ALA 7 8.976 12.272 -2.555
44 H VAL 8 H VAL 8 12.686 13.046 -2.120
45 HA VAL 8 HA VAL 8 13.435 14.255 0.463
46 HB VAL 8 HB VAL 8 15.383 13.357 -1.659
47 HG11 VAL 8 HG11 VAL 8 16.108 15.175 -0.141
48 HG12 VAL 8 HG12 VAL 8 15.826 14.100 1.230
49 HG13 VAL 8 HG13 VAL 8 17.061 13.701 0.036
50 HG21 VAL 8 HG21 VAL 8 15.788 11.701 0.474
51 HG22 VAL 8 HG22 VAL 8 14.030 11.841 0.448
52 HG23 VAL 8 HG23 VAL 8 14.890 11.276 -0.984
53 H VAL 9 H VAL 9 14.161 16.350 0.460
54 HA VAL 9 HA VAL 9 14.106 17.756 -2.131
55 HB VAL 9 HB VAL 9 13.234 18.952 0.499
56 HG11 VAL 9 HG11 VAL 9 12.076 20.364 -1.550
57 HG12 VAL 9 HG12 VAL 9 13.529 20.837 -0.668
58 HG13 VAL 9 HG13 VAL 9 13.667 19.972 -2.199
59 HG21 VAL 9 HG21 VAL 9 11.705 17.461 -1.580
60 HG22 VAL 9 HG22 VAL 9 11.523 17.454 0.175
61 HG23 VAL 9 HG23 VAL 9 10.936 18.825 -0.767
62 H LYS 10 H LYS 10 15.804 19.020 -2.593
63 HA LYS 10 HA LYS 10 17.829 19.396 -0.488
64 HB2 LYS 10 HB2 LYS 10 19.404 19.708 -2.458
65 HB3 LYS 10 HB3 LYS 10 18.778 18.084 -2.211
66 HG2 LYS 10 HG2 LYS 10 17.221 19.806 -4.027
67 HG3 LYS 10 HG3 LYS 10 18.821 19.317 -4.590
68 HD2 LYS 10 HD2 LYS 10 17.941 16.954 -3.695
69 HD3 LYS 10 HD3 LYS 10 16.391 17.693 -4.106
70 HE2 LYS 10 HE2 LYS 10 17.024 16.604 -6.068
71 HE3 LYS 10 HE3 LYS 10 17.497 18.279 -6.349
72 HZ1 LYS 10 HZ1 LYS 10 19.610 17.684 -6.553
73 HZ2 LYS 10 HZ2 LYS 10 19.105 16.069 -6.561
74 HZ3 LYS 10 HZ3 LYS 10 19.590 16.796 -5.113
75 H LEU 11 H LEU 11 18.553 21.401 -0.001
76 HA LEU 11 HA LEU 11 17.523 23.643 -1.610
77 HB2 LEU 11 HB2 LEU 11 17.778 23.458 1.387
78 HB3 LEU 11 HB3 LEU 11 17.395 24.937 0.508
79 HG LEU 11 HG LEU 11 15.375 23.594 -0.397
80 HD11 LEU 11 HD11 LEU 11 14.993 22.112 1.974
81 HD12 LEU 11 HD12 LEU 11 16.570 21.666 1.326
82 HD13 LEU 11 HD13 LEU 11 15.130 21.514 0.320
83 HD21 LEU 11 HD21 LEU 11 14.650 25.296 0.893
84 HD22 LEU 11 HD22 LEU 11 15.793 24.945 2.190
85 HD23 LEU 11 HD23 LEU 11 14.310 24.000 2.041
86 H ARG 12 H ARG 12 18.859 25.440 -1.847
87 HA ARG 12 HA ARG 12 21.677 24.877 -1.639
88 HB2 ARG 12 HB2 ARG 12 21.861 27.205 -2.668
89 HB3 ARG 12 HB3 ARG 12 21.058 25.972 -3.630
90 HG2 ARG 12 HG2 ARG 12 18.981 26.928 -3.374
91 HG3 ARG 12 HG3 ARG 12 19.432 27.760 -1.884
92 HD2 ARG 12 HD2 ARG 12 20.685 29.385 -3.060
93 HD3 ARG 12 HD3 ARG 12 20.634 28.448 -4.553
94 HE ARG 12 HE ARG 12 18.020 28.957 -4.014
95 HH11 ARG 12 HH11 ARG 12 20.864 30.937 -4.344
96 HH12 ARG 12 HH12 ARG 12 19.996 32.314 -4.938
97 HH21 ARG 12 HH21 ARG 12 16.865 30.763 -4.795
98 HH22 ARG 12 HH22 ARG 12 17.721 32.214 -5.194
99 H VAL 13 H VAL 13 22.805 25.243 0.144
100 HA VAL 13 HA VAL 13 21.870 27.260 2.052
101 HB VAL 13 HB VAL 13 24.100 25.284 2.501
102 HG11 VAL 13 HG11 VAL 13 23.252 27.433 3.983
103 HG12 VAL 13 HG12 VAL 13 22.402 26.081 4.734
104 HG13 VAL 13 HG13 VAL 13 24.161 26.054 4.599
105 HG21 VAL 13 HG21 VAL 13 22.584 23.652 2.366
106 HG22 VAL 13 HG22 VAL 13 21.894 24.312 3.848
107 HG23 VAL 13 HG23 VAL 13 21.243 24.794 2.281
108 H GLU 14 H GLU 14 22.977 29.078 2.499
109 HA GLU 14 HA GLU 14 25.456 29.541 0.993
110 HB2 GLU 14 HB2 GLU 14 23.117 31.112 1.416
111 HB3 GLU 14 HB3 GLU 14 24.470 31.942 2.172
112 HG2 GLU 14 HG2 GLU 14 24.419 30.982 -0.679
113 HG3 GLU 14 HG3 GLU 14 24.080 32.631 -0.159
114 H GLY 15 H GLY 15 24.127 29.325 4.178
115 HA2 GLY 15 HA2 GLY 15 26.283 30.690 5.502
116 HA3 GLY 15 HA3 GLY 15 25.026 29.733 6.270
117 H MET 16 H MET 16 25.953 27.609 4.137
118 HA MET 16 HA MET 16 27.380 25.987 5.899
119 HB2 MET 16 HB2 MET 16 26.566 25.892 3.104
120 HB3 MET 16 HB3 MET 16 28.113 25.100 3.372
121 HG2 MET 16 HG2 MET 16 25.583 24.504 4.889
122 HG3 MET 16 HG3 MET 16 26.198 23.567 3.529
123 HE1 MET 16 HE1 MET 16 27.003 23.365 7.823
124 HE2 MET 16 HE2 MET 16 25.636 23.880 6.834
125 HE3 MET 16 HE3 MET 16 25.994 22.162 7.018
126 H THR 17 H THR 17 29.588 24.967 4.882
127 HA THR 17 HA THR 17 31.850 25.246 4.851
128 HB THR 17 HB THR 17 32.739 26.582 3.147
129 HG1 THR 17 HG1 THR 17 31.557 28.435 2.343
130 HG21 THR 17 HG21 THR 17 31.590 25.766 1.391
131 HG22 THR 17 HG22 THR 17 30.094 26.564 1.877
132 HG23 THR 17 HG23 THR 17 30.557 25.032 2.617
133 H CYS 18 H CYS 18 30.270 26.620 6.963
134 HA CYS 18 HA CYS 18 32.234 28.701 7.665
135 HB2 CYS 18 HB2 CYS 18 29.272 28.552 8.168
136 HB3 CYS 18 HB3 CYS 18 30.314 29.553 9.172
137 HG CYS 18 HG CYS 18 29.187 31.307 7.415
138 H GLN 19 H GLN 19 30.457 25.887 8.687
139 HA GLN 19 HA GLN 19 32.345 25.283 10.721
140 HB2 GLN 19 HB2 GLN 19 30.245 26.989 11.511
141 HB3 GLN 19 HB3 GLN 19 29.858 25.403 12.165
142 HG2 GLN 19 HG2 GLN 19 31.537 25.458 13.650
143 HG3 GLN 19 HG3 GLN 19 32.643 26.252 12.530
144 HE21 GLN 19 HE21 GLN 19 32.671 28.492 12.407
145 HE22 GLN 19 HE22 GLN 19 31.954 29.491 13.621
146 H SER 20 H SER 20 31.231 23.457 12.224
147 HA SER 20 HA SER 20 30.315 21.464 10.310
148 HB2 SER 20 HB2 SER 20 32.178 20.965 11.901
149 HB3 SER 20 HB3 SER 20 31.026 21.102 13.230
150 HG SER 20 HG SER 20 31.528 18.989 11.710
151 H CYS 21 H CYS 21 28.360 23.296 10.668
152 HA CYS 21 HA CYS 21 26.552 22.806 12.762
153 HB2 CYS 21 HB2 CYS 21 26.684 24.529 10.574
154 HB3 CYS 21 HB3 CYS 21 25.240 23.568 10.284
155 HG CYS 21 HG CYS 21 23.849 25.262 11.633
156 H VAL 22 H VAL 22 27.327 20.981 9.979
157 HA VAL 22 HA VAL 22 24.996 19.681 9.312
158 HB VAL 22 HB VAL 22 27.752 18.458 9.509
159 HG11 VAL 22 HG11 VAL 22 26.743 17.007 7.619
160 HG12 VAL 22 HG12 VAL 22 26.346 16.625 9.296
161 HG13 VAL 22 HG13 VAL 22 25.190 17.501 8.292
162 HG21 VAL 22 HG21 VAL 22 26.535 20.357 7.671
163 HG22 VAL 22 HG22 VAL 22 28.228 19.912 7.881
164 HG23 VAL 22 HG23 VAL 22 27.180 18.932 6.855
165 H SER 23 H SER 23 27.240 18.894 11.945
166 HA SER 23 HA SER 23 25.895 16.583 12.835
167 HB2 SER 23 HB2 SER 23 28.112 18.229 13.718
168 HB3 SER 23 HB3 SER 23 27.125 17.712 15.085
169 HG SER 23 HG SER 23 27.935 15.797 14.862
170 H SER 24 H SER 24 25.542 19.994 13.631
171 HA SER 24 HA SER 24 23.780 19.642 15.821
172 HB2 SER 24 HB2 SER 24 25.073 21.736 15.327
173 HB3 SER 24 HB3 SER 24 23.963 22.047 13.993
174 HG SER 24 HG SER 24 23.508 23.032 16.153
175 H ILE 25 H ILE 25 23.257 20.186 12.364
176 HA ILE 25 HA ILE 25 20.442 20.405 12.497
177 HB ILE 25 HB ILE 25 22.128 19.483 10.167
178 HG12 ILE 25 HG12 ILE 25 21.084 22.263 10.706
179 HG13 ILE 25 HG13 ILE 25 22.695 21.742 11.187
180 HG21 ILE 25 HG21 ILE 25 19.351 20.655 10.217
181 HG22 ILE 25 HG22 ILE 25 20.257 20.172 8.784
182 HG23 ILE 25 HG23 ILE 25 19.738 18.955 9.951
183 HD11 ILE 25 HD11 ILE 25 22.435 21.048 8.489
184 HD12 ILE 25 HD12 ILE 25 21.772 22.675 8.649
185 HD13 ILE 25 HD13 ILE 25 23.416 22.336 9.188
186 H GLU 26 H GLU 26 22.610 17.691 12.449
187 HA GLU 26 HA GLU 26 20.851 15.694 11.556
188 HB2 GLU 26 HB2 GLU 26 23.488 15.821 12.530
189 HB3 GLU 26 HB3 GLU 26 22.643 14.691 13.578
190 HG2 GLU 26 HG2 GLU 26 21.799 13.709 11.293
191 HG3 GLU 26 HG3 GLU 26 23.248 14.499 10.676
192 H GLY 27 H GLY 27 21.369 17.115 14.734
193 HA2 GLY 27 HA2 GLY 27 19.931 15.263 16.272
194 HA3 GLY 27 HA3 GLY 27 20.179 16.952 16.689
195 H LYS 28 H LYS 28 18.836 17.911 14.262
196 HA LYS 28 HA LYS 28 16.230 18.162 15.284
197 HB2 LYS 28 HB2 LYS 28 17.706 19.068 12.940
198 HB3 LYS 28 HB3 LYS 28 16.019 18.733 12.576
199 HG2 LYS 28 HG2 LYS 28 17.021 20.573 14.739
200 HG3 LYS 28 HG3 LYS 28 16.355 21.066 13.180
201 HD2 LYS 28 HD2 LYS 28 14.356 21.113 14.164
202 HD3 LYS 28 HD3 LYS 28 14.443 19.352 14.248
203 HE2 LYS 28 HE2 LYS 28 14.005 19.999 16.446
204 HE3 LYS 28 HE3 LYS 28 15.745 19.716 16.426
205 HZ1 LYS 28 HZ1 LYS 28 15.043 21.790 17.574
206 HZ2 LYS 28 HZ2 LYS 28 14.516 22.394 16.085
207 HZ3 LYS 28 HZ3 LYS 28 16.153 22.039 16.321
208 H VAL 29 H VAL 29 17.605 16.022 12.845
209 HA VAL 29 HA VAL 29 15.319 14.962 11.717
210 HB VAL 29 HB VAL 29 17.931 13.593 12.357
211 HG11 VAL 29 HG11 VAL 29 16.252 11.882 12.138
212 HG12 VAL 29 HG12 VAL 29 15.630 12.627 10.664
213 HG13 VAL 29 HG13 VAL 29 17.239 11.905 10.677
214 HG21 VAL 29 HG21 VAL 29 17.233 14.127 9.576
215 HG22 VAL 29 HG22 VAL 29 17.367 15.588 10.556
216 HG23 VAL 29 HG23 VAL 29 18.724 14.466 10.456
217 H ARG 30 H ARG 30 16.969 13.948 14.693
218 HA ARG 30 HA ARG 30 15.268 11.780 15.280
219 HB2 ARG 30 HB2 ARG 30 17.551 12.338 16.296
220 HB3 ARG 30 HB3 ARG 30 16.685 13.448 17.350
221 HG2 ARG 30 HG2 ARG 30 16.850 11.538 18.636
222 HG3 ARG 30 HG3 ARG 30 15.234 11.398 17.939
223 HD2 ARG 30 HD2 ARG 30 16.422 9.273 17.824
224 HD3 ARG 30 HD3 ARG 30 16.107 9.909 16.209
225 HE ARG 30 HE ARG 30 18.366 10.087 15.875
226 HH11 ARG 30 HH11 ARG 30 17.741 9.646 19.271
227 HH12 ARG 30 HH12 ARG 30 19.411 9.441 19.685
228 HH21 ARG 30 HH21 ARG 30 20.568 9.819 16.407
229 HH22 ARG 30 HH22 ARG 30 21.018 9.541 18.055
230 H LYS 31 H LYS 31 14.901 15.192 15.662
231 HA LYS 31 HA LYS 31 12.671 14.907 17.518
232 HB2 LYS 31 HB2 LYS 31 13.998 17.338 16.310
233 HB3 LYS 31 HB3 LYS 31 12.624 17.412 17.406
234 HG2 LYS 31 HG2 LYS 31 15.270 16.155 18.097
235 HG3 LYS 31 HG3 LYS 31 14.821 17.817 18.489
236 HD2 LYS 31 HD2 LYS 31 13.324 15.355 19.388
237 HD3 LYS 31 HD3 LYS 31 14.473 16.260 20.375
238 HE2 LYS 31 HE2 LYS 31 12.943 18.289 19.787
239 HE3 LYS 31 HE3 LYS 31 11.747 17.043 19.432
240 HZ1 LYS 31 HZ1 LYS 31 12.059 16.180 21.681
241 HZ2 LYS 31 HZ2 LYS 31 11.543 17.790 21.704
242 HZ3 LYS 31 HZ3 LYS 31 13.163 17.418 22.016
243 H LEU 32 H LEU 32 13.225 15.035 14.176
244 HA LEU 32 HA LEU 32 10.764 16.284 13.407
245 HB2 LEU 32 HB2 LEU 32 13.069 15.060 12.079
246 HB3 LEU 32 HB3 LEU 32 11.541 14.821 11.234
247 HG LEU 32 HG LEU 32 12.711 16.755 10.358
248 HD11 LEU 32 HD11 LEU 32 10.411 17.792 11.985
249 HD12 LEU 32 HD12 LEU 32 10.180 16.688 10.630
250 HD13 LEU 32 HD13 LEU 32 10.920 18.267 10.364
251 HD21 LEU 32 HD21 LEU 32 14.064 17.451 12.168
252 HD22 LEU 32 HD22 LEU 32 12.668 17.679 13.221
253 HD23 LEU 32 HD23 LEU 32 12.936 18.772 11.862
254 H GLN 33 H GLN 33 8.839 15.373 12.887
255 HA GLN 33 HA GLN 33 8.393 12.654 13.776
256 HB2 GLN 33 HB2 GLN 33 6.822 14.492 14.347
257 HB3 GLN 33 HB3 GLN 33 6.427 14.650 12.640
258 HG2 GLN 33 HG2 GLN 33 5.454 12.473 12.590
259 HG3 GLN 33 HG3 GLN 33 6.024 12.125 14.222
260 HE21 GLN 33 HE21 GLN 33 3.939 11.690 14.942
261 HE22 GLN 33 HE22 GLN 33 2.781 12.943 15.211
262 H GLY 34 H GLY 34 7.502 14.448 10.816
263 HA2 GLY 34 HA2 GLY 34 7.055 12.034 9.341
264 HA3 GLY 34 HA3 GLY 34 7.061 13.667 8.690
265 H VAL 35 H VAL 35 9.536 14.584 9.102
266 HA VAL 35 HA VAL 35 11.062 13.645 7.058
267 HB VAL 35 HB VAL 35 11.489 15.412 9.258
268 HG11 VAL 35 HG11 VAL 35 12.985 13.740 10.180
269 HG12 VAL 35 HG12 VAL 35 13.838 13.623 8.640
270 HG13 VAL 35 HG13 VAL 35 13.909 15.115 9.577
271 HG21 VAL 35 HG21 VAL 35 13.135 15.096 6.755
272 HG22 VAL 35 HG22 VAL 35 11.554 15.877 6.794
273 HG23 VAL 35 HG23 VAL 35 12.897 16.559 7.711
274 H VAL 36 H VAL 36 12.448 12.008 6.673
275 HA VAL 36 HA VAL 36 12.614 9.896 8.674
276 HB VAL 36 HB VAL 36 13.789 9.733 5.915
277 HG11 VAL 36 HG11 VAL 36 12.381 7.511 7.299
278 HG12 VAL 36 HG12 VAL 36 13.779 7.470 6.223
279 HG13 VAL 36 HG13 VAL 36 13.968 7.992 7.898
280 HG21 VAL 36 HG21 VAL 36 11.581 8.786 5.195
281 HG22 VAL 36 HG22 VAL 36 10.893 9.420 6.690
282 HG23 VAL 36 HG23 VAL 36 11.578 10.523 5.497
283 H ARG 37 H ARG 37 14.782 11.898 6.703
284 HA ARG 37 HA ARG 37 16.775 11.947 8.740
285 HB2 ARG 37 HB2 ARG 37 18.514 10.702 7.700
286 HB3 ARG 37 HB3 ARG 37 17.095 9.663 7.711
287 HG2 ARG 37 HG2 ARG 37 16.679 10.147 5.379
288 HG3 ARG 37 HG3 ARG 37 18.032 11.280 5.351
289 HD2 ARG 37 HD2 ARG 37 18.856 9.286 4.406
290 HD3 ARG 37 HD3 ARG 37 19.492 9.329 6.049
291 HE ARG 37 HE ARG 37 17.025 7.884 5.828
292 HH11 ARG 37 HH11 ARG 37 20.484 7.681 5.493
293 HH12 ARG 37 HH12 ARG 37 20.540 5.969 5.752
294 HH21 ARG 37 HH21 ARG 37 17.086 5.630 6.172
295 HH22 ARG 37 HH22 ARG 37 18.606 4.803 6.138
296 H VAL 38 H VAL 38 18.607 13.292 8.167
297 HA VAL 38 HA VAL 38 18.146 14.951 5.777
298 HB VAL 38 HB VAL 38 18.954 15.964 8.507
299 HG11 VAL 38 HG11 VAL 38 18.398 17.522 5.986
300 HG12 VAL 38 HG12 VAL 38 18.923 18.167 7.543
301 HG13 VAL 38 HG13 VAL 38 20.010 17.149 6.598
302 HG21 VAL 38 HG21 VAL 38 16.522 15.286 8.115
303 HG22 VAL 38 HG22 VAL 38 16.820 16.921 8.707
304 HG23 VAL 38 HG23 VAL 38 16.446 16.654 7.005
305 H LYS 39 H LYS 39 19.860 15.101 4.495
306 HA LYS 39 HA LYS 39 22.510 14.477 5.624
307 HB2 LYS 39 HB2 LYS 39 21.562 12.870 3.920
308 HB3 LYS 39 HB3 LYS 39 21.672 14.169 2.739
309 HG2 LYS 39 HG2 LYS 39 24.167 14.261 3.518
310 HG3 LYS 39 HG3 LYS 39 23.842 12.611 4.053
311 HD2 LYS 39 HD2 LYS 39 23.295 11.910 1.856
312 HD3 LYS 39 HD3 LYS 39 23.222 13.573 1.268
313 HE2 LYS 39 HE2 LYS 39 25.629 13.809 1.655
314 HE3 LYS 39 HE3 LYS 39 25.698 12.147 2.239
315 HZ1 LYS 39 HZ1 LYS 39 24.761 12.866 -0.480
316 HZ2 LYS 39 HZ2 LYS 39 25.158 11.329 0.104
317 HZ3 LYS 39 HZ3 LYS 39 26.372 12.484 -0.131
318 H VAL 40 H VAL 40 23.924 16.088 5.665
319 HA VAL 40 HA VAL 40 23.494 18.380 3.863
320 HB VAL 40 HB VAL 40 24.949 18.395 6.510
321 HG11 VAL 40 HG11 VAL 40 24.172 20.959 5.937
322 HG12 VAL 40 HG12 VAL 40 25.783 20.293 5.666
323 HG13 VAL 40 HG13 VAL 40 24.610 20.330 4.349
324 HG21 VAL 40 HG21 VAL 40 22.883 18.261 7.380
325 HG22 VAL 40 HG22 VAL 40 22.736 19.940 6.863
326 HG23 VAL 40 HG23 VAL 40 22.103 18.647 5.846
327 H SER 41 H SER 41 25.043 18.894 2.450
328 HA SER 41 HA SER 41 27.627 17.500 2.680
329 HB2 SER 41 HB2 SER 41 26.158 16.978 0.682
330 HB3 SER 41 HB3 SER 41 26.427 18.638 0.150
331 HG SER 41 HG SER 41 27.961 17.364 -0.827
332 H LEU 42 H LEU 42 29.043 18.856 3.591
333 HA LEU 42 HA LEU 42 28.929 21.682 3.353
334 HB2 LEU 42 HB2 LEU 42 30.834 21.740 4.691
335 HB3 LEU 42 HB3 LEU 42 29.980 20.288 5.210
336 HG LEU 42 HG LEU 42 32.275 20.216 3.264
337 HD11 LEU 42 HD11 LEU 42 33.274 19.253 5.606
338 HD12 LEU 42 HD12 LEU 42 32.289 20.604 6.165
339 HD13 LEU 42 HD13 LEU 42 33.561 20.875 4.974
340 HD21 LEU 42 HD21 LEU 42 30.872 18.256 3.235
341 HD22 LEU 42 HD22 LEU 42 30.940 18.137 4.994
342 HD23 LEU 42 HD23 LEU 42 32.396 17.869 4.035
343 H SER 43 H SER 43 30.529 19.164 1.553
344 HA SER 43 HA SER 43 32.405 20.833 0.213
345 HB2 SER 43 HB2 SER 43 32.571 18.325 0.444
346 HB3 SER 43 HB3 SER 43 31.299 18.195 -0.770
347 HG SER 43 HG SER 43 33.178 18.092 -1.890
348 H ASN 44 H ASN 44 29.075 19.963 -0.342
349 HA ASN 44 HA ASN 44 29.106 21.298 -2.952
350 HB2 ASN 44 HB2 ASN 44 27.806 18.998 -2.038
351 HB3 ASN 44 HB3 ASN 44 26.535 20.211 -2.161
352 HD21 ASN 44 HD21 ASN 44 27.208 21.678 -4.284
353 HD22 ASN 44 HD22 ASN 44 27.261 20.713 -5.716
354 H GLN 45 H GLN 45 28.684 22.111 0.188
355 HA GLN 45 HA GLN 45 27.614 23.776 1.320
356 HB2 GLN 45 HB2 GLN 45 27.450 25.228 -1.309
357 HB3 GLN 45 HB3 GLN 45 27.683 25.899 0.300
358 HG2 GLN 45 HG2 GLN 45 29.899 24.576 0.278
359 HG3 GLN 45 HG3 GLN 45 29.651 24.512 -1.466
360 HE21 GLN 45 HE21 GLN 45 31.778 25.703 -1.209
361 HE22 GLN 45 HE22 GLN 45 31.688 27.427 -1.147
362 H GLU 46 H GLU 46 25.892 21.745 0.447
363 HA GLU 46 HA GLU 46 23.412 23.284 0.089
364 HB2 GLU 46 HB2 GLU 46 22.593 21.907 -1.566
365 HB3 GLU 46 HB3 GLU 46 24.304 21.920 -1.970
366 HG2 GLU 46 HG2 GLU 46 24.397 19.805 -0.459
367 HG3 GLU 46 HG3 GLU 46 22.661 19.748 -0.758
368 H ALA 47 H ALA 47 21.456 21.944 0.709
369 HA ALA 47 HA ALA 47 22.090 20.100 2.915
370 HB1 ALA 47 HB1 ALA 47 20.017 21.161 4.044
371 HB2 ALA 47 HB2 ALA 47 21.562 22.009 4.118
372 HB3 ALA 47 HB3 ALA 47 20.330 22.520 2.964
373 H VAL 48 H VAL 48 21.064 18.219 2.759
374 HA VAL 48 HA VAL 48 18.733 18.041 0.971
375 HB VAL 48 HB VAL 48 20.480 15.756 1.881
376 HG11 VAL 48 HG11 VAL 48 18.945 14.487 0.904
377 HG12 VAL 48 HG12 VAL 48 18.010 15.918 0.465
378 HG13 VAL 48 HG13 VAL 48 19.255 15.307 -0.625
379 HG21 VAL 48 HG21 VAL 48 22.006 16.967 0.649
380 HG22 VAL 48 HG22 VAL 48 21.267 15.968 -0.603
381 HG23 VAL 48 HG23 VAL 48 20.772 17.649 -0.410
382 H ILE 49 H ILE 49 16.808 17.507 1.779
383 HA ILE 49 HA ILE 49 16.703 16.379 4.500
384 HB ILE 49 HB ILE 49 14.682 18.271 3.296
385 HG12 ILE 49 HG12 ILE 49 15.733 19.625 5.387
386 HG13 ILE 49 HG13 ILE 49 17.153 18.724 4.866
387 HG21 ILE 49 HG21 ILE 49 14.773 16.628 5.718
388 HG22 ILE 49 HG22 ILE 49 14.338 18.313 5.998
389 HG23 ILE 49 HG23 ILE 49 13.395 17.335 4.875
390 HD11 ILE 49 HD11 ILE 49 17.342 19.880 2.931
391 HD12 ILE 49 HD12 ILE 49 15.603 20.131 2.778
392 HD13 ILE 49 HD13 ILE 49 16.540 21.114 3.903
393 H THR 50 H THR 50 15.938 14.381 4.479
394 HA THR 50 HA THR 50 14.177 13.531 2.300
395 HB THR 50 HB THR 50 15.531 11.829 4.401
396 HG1 THR 50 HG1 THR 50 17.169 12.567 3.157
397 HG21 THR 50 HG21 THR 50 13.532 11.276 2.405
398 HG22 THR 50 HG22 THR 50 14.215 10.204 3.627
399 HG23 THR 50 HG23 THR 50 15.007 10.374 2.061
400 H TYR 51 H TYR 51 12.060 13.393 2.604
401 HA TYR 51 HA TYR 51 11.037 12.760 5.280
402 HB2 TYR 51 HB2 TYR 51 9.539 14.538 5.341
403 HB3 TYR 51 HB3 TYR 51 10.969 15.283 4.637
404 HD1 TYR 51 HD1 TYR 51 10.999 14.912 1.914
405 HD2 TYR 51 HD2 TYR 51 7.551 15.190 4.391
406 HE1 TYR 51 HE1 TYR 51 9.671 15.635 -0.026
407 HE2 TYR 51 HE2 TYR 51 6.213 15.913 2.458
408 HH TYR 51 HH TYR 51 7.513 15.886 -0.790
409 H GLN 52 H GLN 52 8.534 12.409 5.075
410 HA GLN 52 HA GLN 52 8.036 10.826 2.641
411 HB2 GLN 52 HB2 GLN 52 8.382 9.738 5.091
412 HB3 GLN 52 HB3 GLN 52 6.648 10.028 5.128
413 HG2 GLN 52 HG2 GLN 52 6.246 8.595 3.337
414 HG3 GLN 52 HG3 GLN 52 7.933 8.615 2.824
415 HE21 GLN 52 HE21 GLN 52 8.380 6.487 2.908
416 HE22 GLN 52 HE22 GLN 52 8.316 5.531 4.345
417 HA PRO 53 HA PRO 53 4.472 13.383 2.150
418 HB2 PRO 53 HB2 PRO 53 3.153 11.844 0.345
419 HB3 PRO 53 HB3 PRO 53 4.570 12.814 -0.074
420 HG2 PRO 53 HG2 PRO 53 4.390 9.888 0.532
421 HG3 PRO 53 HG3 PRO 53 5.306 10.712 -0.743
422 HD2 PRO 53 HD2 PRO 53 6.456 9.847 1.551
423 HD3 PRO 53 HD3 PRO 53 7.016 11.294 0.688
424 H TYR 54 H TYR 54 4.319 10.055 3.155
425 HA TYR 54 HA TYR 54 1.500 10.096 3.747
426 HB2 TYR 54 HB2 TYR 54 2.281 7.956 3.212
427 HB3 TYR 54 HB3 TYR 54 3.727 8.131 4.200
428 HD1 TYR 54 HD2 TYR 54 3.602 7.868 6.643
429 HD2 TYR 54 HD1 TYR 54 0.203 7.216 4.166
430 HE1 TYR 54 HE2 TYR 54 2.485 6.693 8.493
431 HE2 TYR 54 HE1 TYR 54 -0.923 6.042 6.010
432 HH TYR 54 HH TYR 54 0.747 5.264 8.985
433 H LEU 55 H LEU 55 4.315 11.185 5.285
434 HA LEU 55 HA LEU 55 3.005 11.167 7.919
435 HB2 LEU 55 HB2 LEU 55 5.902 11.709 7.298
436 HB3 LEU 55 HB3 LEU 55 5.180 11.489 8.891
437 HG LEU 55 HG LEU 55 5.206 9.301 6.828
438 HD11 LEU 55 HD11 LEU 55 7.229 9.615 9.026
439 HD12 LEU 55 HD12 LEU 55 7.519 10.172 7.379
440 HD13 LEU 55 HD13 LEU 55 7.228 8.462 7.692
441 HD21 LEU 55 HD21 LEU 55 5.162 9.045 9.815
442 HD22 LEU 55 HD22 LEU 55 4.663 7.876 8.592
443 HD23 LEU 55 HD23 LEU 55 3.681 9.310 8.895
444 H ILE 56 H ILE 56 5.400 13.286 6.347
445 HA ILE 56 HA ILE 56 3.690 15.581 7.050
446 HB ILE 56 HB ILE 56 5.729 15.397 8.490
447 HG12 ILE 56 HG12 ILE 56 5.603 17.803 6.658
448 HG13 ILE 56 HG13 ILE 56 4.616 17.553 8.094
449 HG21 ILE 56 HG21 ILE 56 7.030 14.665 6.248
450 HG22 ILE 56 HG22 ILE 56 7.462 16.372 6.318
451 HG23 ILE 56 HG23 ILE 56 7.832 15.314 7.679
452 HD11 ILE 56 HD11 ILE 56 7.484 18.283 7.863
453 HD12 ILE 56 HD12 ILE 56 6.231 18.924 8.926
454 HD13 ILE 56 HD13 ILE 56 6.956 17.353 9.265
455 H GLN 57 H GLN 57 3.897 17.450 5.680
456 HA GLN 57 HA GLN 57 4.307 16.705 2.907
457 HB2 GLN 57 HB2 GLN 57 2.826 18.774 4.357
458 HB3 GLN 57 HB3 GLN 57 3.609 19.366 2.898
459 HG2 GLN 57 HG2 GLN 57 1.490 18.725 2.193
460 HG3 GLN 57 HG3 GLN 57 2.528 17.380 1.721
461 HE21 GLN 57 HE21 GLN 57 0.878 18.358 4.710
462 HE22 GLN 57 HE22 GLN 57 0.105 16.837 4.982
463 HA PRO 58 HA PRO 58 8.131 18.721 2.168
464 HB2 PRO 58 HB2 PRO 58 7.707 20.099 -0.132
465 HB3 PRO 58 HB3 PRO 58 7.830 18.336 -0.077
466 HG2 PRO 58 HG2 PRO 58 5.386 20.063 -0.178
467 HG3 PRO 58 HG3 PRO 58 5.736 18.566 -1.063
468 HD2 PRO 58 HD2 PRO 58 4.165 18.622 1.141
469 HD3 PRO 58 HD3 PRO 58 5.185 17.228 0.732
470 H GLU 59 H GLU 59 5.413 20.966 1.641
471 HA GLU 59 HA GLU 59 6.865 23.337 2.013
472 HB2 GLU 59 HB2 GLU 59 3.955 22.636 2.255
473 HB3 GLU 59 HB3 GLU 59 4.524 24.247 2.668
474 HG2 GLU 59 HG2 GLU 59 5.556 24.337 0.367
475 HG3 GLU 59 HG3 GLU 59 4.649 22.869 0.005
476 H ASP 60 H ASP 60 5.244 21.203 4.292
477 HA ASP 60 HA ASP 60 5.456 22.903 6.549
478 HB2 ASP 60 HB2 ASP 60 4.402 20.331 5.981
479 HB3 ASP 60 HB3 ASP 60 5.517 20.148 7.333
480 H LEU 61 H LEU 61 7.497 20.294 5.294
481 HA LEU 61 HA LEU 61 9.372 20.356 7.420
482 HB2 LEU 61 HB2 LEU 61 10.421 18.688 6.324
483 HB3 LEU 61 HB3 LEU 61 8.897 18.631 5.440
484 HG LEU 61 HG LEU 61 10.156 20.302 3.834
485 HD11 LEU 61 HD11 LEU 61 12.590 19.001 3.931
486 HD12 LEU 61 HD12 LEU 61 12.239 19.364 5.620
487 HD13 LEU 61 HD13 LEU 61 12.270 20.663 4.427
488 HD21 LEU 61 HD21 LEU 61 10.285 18.567 2.386
489 HD22 LEU 61 HD22 LEU 61 9.377 17.749 3.658
490 HD23 LEU 61 HD23 LEU 61 11.123 17.524 3.536
491 H ARG 62 H ARG 62 8.969 22.220 4.522
492 HA ARG 62 HA ARG 62 11.555 23.203 4.163
493 HB2 ARG 62 HB2 ARG 62 9.160 23.582 2.919
494 HB3 ARG 62 HB3 ARG 62 9.382 25.138 3.707
495 HG2 ARG 62 HG2 ARG 62 11.571 23.921 2.071
496 HG3 ARG 62 HG3 ARG 62 10.258 24.824 1.313
497 HD2 ARG 62 HD2 ARG 62 11.241 26.301 3.551
498 HD3 ARG 62 HD3 ARG 62 12.600 25.829 2.532
499 HE ARG 62 HE ARG 62 10.493 26.877 0.958
500 HH11 ARG 62 HH11 ARG 62 13.021 27.833 3.153
501 HH12 ARG 62 HH12 ARG 62 13.191 29.417 2.473
502 HH21 ARG 62 HH21 ARG 62 10.708 28.960 0.054
503 HH22 ARG 62 HH22 ARG 62 11.874 30.058 0.711
504 H ASP 63 H ASP 63 8.929 24.367 6.232
505 HA ASP 63 HA ASP 63 10.260 26.685 7.154
506 HB2 ASP 63 HB2 ASP 63 7.832 26.400 7.353
507 HB3 ASP 63 HB3 ASP 63 8.073 25.067 8.479
508 H HIS 64 H HIS 64 10.328 23.339 8.142
509 HA HIS 64 HA HIS 64 11.529 23.731 10.682
510 HB2 HIS 64 HB2 HIS 64 10.413 21.599 9.470
511 HB3 HIS 64 HB3 HIS 64 12.114 21.227 9.204
512 HD1 HIS 64 HD1 HIS 64 9.689 20.191 11.367
513 HD2 HIS 64 HD2 HIS 64 13.419 21.894 12.038
514 HE1 HIS 64 HE1 HIS 64 10.320 19.526 13.709
515 H VAL 65 H VAL 65 12.808 23.239 7.435
516 HA VAL 65 HA VAL 65 15.510 22.871 8.148
517 HB VAL 65 HB VAL 65 14.516 24.131 5.592
518 HG11 VAL 65 HG11 VAL 65 16.981 22.507 6.212
519 HG12 VAL 65 HG12 VAL 65 16.532 23.139 4.627
520 HG13 VAL 65 HG13 VAL 65 16.929 24.248 5.940
521 HG21 VAL 65 HG21 VAL 65 14.321 21.357 6.595
522 HG22 VAL 65 HG22 VAL 65 13.296 22.226 5.453
523 HG23 VAL 65 HG23 VAL 65 14.839 21.559 4.921
524 H ASN 66 H ASN 66 13.687 25.784 7.248
525 HA ASN 66 HA ASN 66 15.866 27.569 7.385
526 HB2 ASN 66 HB2 ASN 66 13.971 28.351 6.224
527 HB3 ASN 66 HB3 ASN 66 12.882 27.932 7.544
528 HD21 ASN 66 HD21 ASN 66 12.222 29.541 8.760
529 HD22 ASN 66 HD22 ASN 66 13.016 31.063 8.957
530 H ASP 67 H ASP 67 13.764 26.219 9.806
531 HA ASP 67 HA ASP 67 14.098 28.047 11.880
532 HB2 ASP 67 HB2 ASP 67 12.644 25.868 11.698
533 HB3 ASP 67 HB3 ASP 67 14.042 25.108 12.453
534 H MET 68 H MET 68 16.328 25.804 10.511
535 HA MET 68 HA MET 68 18.080 25.518 12.713
536 HB2 MET 68 HB2 MET 68 18.397 25.169 9.745
537 HB3 MET 68 HB3 MET 68 19.773 24.999 10.827
538 HG2 MET 68 HG2 MET 68 17.228 23.431 11.131
539 HG3 MET 68 HG3 MET 68 18.613 22.871 10.197
540 HE1 MET 68 HE1 MET 68 17.923 24.134 14.180
541 HE2 MET 68 HE2 MET 68 16.801 23.157 13.233
542 HE3 MET 68 HE3 MET 68 17.775 22.405 14.497
543 H GLY 69 H GLY 69 17.391 28.164 10.720
544 HA2 GLY 69 HA2 GLY 69 18.208 30.335 10.979
545 HA3 GLY 69 HA3 GLY 69 19.521 29.698 11.957
546 H PHE 70 H PHE 70 19.138 27.984 9.076
547 HA PHE 70 HA PHE 70 21.594 29.118 8.033
548 HB2 PHE 70 HB2 PHE 70 20.076 26.625 7.677
549 HB3 PHE 70 HB3 PHE 70 20.820 27.234 6.202
550 HD1 PHE 70 HD2 PHE 70 23.341 27.999 6.507
551 HD2 PHE 70 HD1 PHE 70 21.304 25.217 9.002
552 HE1 PHE 70 HE2 PHE 70 25.501 27.047 7.204
553 HE2 PHE 70 HE1 PHE 70 23.460 24.261 9.704
554 HZ PHE 70 HZ PHE 70 25.562 25.176 8.803
555 H GLU 71 H GLU 71 21.599 29.162 5.466
556 HA GLU 71 HA GLU 71 19.465 31.038 4.726
557 HB2 GLU 71 HB2 GLU 71 21.968 31.650 4.627
558 HB3 GLU 71 HB3 GLU 71 22.024 30.624 3.201
559 HG2 GLU 71 HG2 GLU 71 21.619 32.590 2.174
560 HG3 GLU 71 HG3 GLU 71 19.950 32.139 2.516
561 H ALA 72 H ALA 72 19.788 27.907 4.542
562 HA ALA 72 HA ALA 72 19.833 26.923 2.033
563 HB1 ALA 72 HB1 ALA 72 18.838 26.041 4.474
564 HB2 ALA 72 HB2 ALA 72 17.482 25.889 3.356
565 HB3 ALA 72 HB3 ALA 72 19.015 25.094 2.996
566 H ALA 73 H ALA 73 18.623 26.945 0.208
567 HA ALA 73 HA ALA 73 16.041 28.342 0.259
568 HB1 ALA 73 HB1 ALA 73 16.896 30.092 -0.807
569 HB2 ALA 73 HB2 ALA 73 18.461 29.294 -0.970
570 HB3 ALA 73 HB3 ALA 73 17.208 29.034 -2.184
571 H ILE 74 H ILE 74 14.509 27.551 -1.121
572 HA ILE 74 HA ILE 74 14.650 24.911 -1.969
573 HB ILE 74 HB ILE 74 12.851 27.087 -3.042
574 HG12 ILE 74 HG12 ILE 74 12.724 26.773 -0.589
575 HG13 ILE 74 HG13 ILE 74 11.236 26.299 -1.400
576 HG21 ILE 74 HG21 ILE 74 13.116 24.263 -3.680
577 HG22 ILE 74 HG22 ILE 74 11.487 24.698 -3.165
578 HG23 ILE 74 HG23 ILE 74 12.235 25.536 -4.524
579 HD11 ILE 74 HD11 ILE 74 12.998 24.049 -1.162
580 HD12 ILE 74 HD12 ILE 74 12.737 24.806 0.410
581 HD13 ILE 74 HD13 ILE 74 11.359 24.265 -0.548
582 H LYS 75 H LYS 75 15.664 23.963 -3.599
583 HA LYS 75 HA LYS 75 17.232 25.304 -5.477
584 HB2 LYS 75 HB2 LYS 75 17.314 22.842 -4.725
585 HB3 LYS 75 HB3 LYS 75 16.091 22.561 -5.957
586 HG2 LYS 75 HG2 LYS 75 17.542 23.042 -7.695
587 HG3 LYS 75 HG3 LYS 75 18.645 23.947 -6.656
588 HD2 LYS 75 HD2 LYS 75 19.286 21.855 -5.538
589 HD3 LYS 75 HD3 LYS 75 18.201 20.961 -6.606
590 HE2 LYS 75 HE2 LYS 75 20.315 20.715 -7.580
591 HE3 LYS 75 HE3 LYS 75 19.540 21.985 -8.526
592 HZ1 LYS 75 HZ1 LYS 75 21.960 22.280 -7.665
593 HZ2 LYS 75 HZ2 LYS 75 21.202 22.733 -6.223
594 HZ3 LYS 75 HZ3 LYS 75 20.891 23.591 -7.647
595 H SER 76 H SER 76 14.292 23.416 -6.207
596 HA SER 76 HA SER 76 13.777 25.279 -8.432
597 HB2 SER 76 HB2 SER 76 13.032 23.530 -9.763
598 HB3 SER 76 HB3 SER 76 14.317 22.740 -8.848
599 HG SER 76 HG SER 76 12.814 21.764 -7.573
Start of MODEL 6
1 H1 ALA 1 H ALA 1 -2.825 0.816 -0.032
2 HA ALA 1 HA ALA 1 -1.316 -0.521 -1.687
3 HB1 ALA 1 HB1 ALA 1 -3.010 -0.273 -3.099
4 HB2 ALA 1 HB2 ALA 1 -3.644 0.994 -2.048
5 HB3 ALA 1 HB3 ALA 1 -2.581 1.413 -3.391
6 H GLY 2 H GLY 2 0.871 -0.118 -1.703
7 HA2 GLY 2 HA2 GLY 2 2.146 1.148 -3.656
8 HA3 GLY 2 HA3 GLY 2 1.834 2.495 -2.571
9 H HIS 3 H HIS 3 4.375 2.150 -3.049
10 HA HIS 3 HA HIS 3 5.434 1.279 -0.509
11 HB2 HIS 3 HB2 HIS 3 7.211 -0.137 -1.656
12 HB3 HIS 3 HB3 HIS 3 5.597 -0.834 -1.570
13 HD1 HIS 3 HD1 HIS 3 7.775 1.042 -4.054
14 HD2 HIS 3 HD2 HIS 3 4.624 -1.665 -3.965
15 HE1 HIS 3 HE1 HIS 3 7.387 0.383 -6.449
16 H MET 4 H MET 4 7.488 2.134 -0.053
17 HA MET 4 HA MET 4 9.039 3.802 -0.069
18 HB2 MET 4 HB2 MET 4 9.086 2.838 -2.917
19 HB3 MET 4 HB3 MET 4 10.158 4.120 -2.372
20 HG2 MET 4 HG2 MET 4 11.078 2.613 -0.673
21 HG3 MET 4 HG3 MET 4 10.024 1.328 -1.259
22 HE1 MET 4 HE1 MET 4 12.388 0.290 -0.978
23 HE2 MET 4 HE2 MET 4 13.430 0.048 -2.381
24 HE3 MET 4 HE3 MET 4 13.683 1.437 -1.323
25 H GLN 5 H GLN 5 6.749 4.993 0.174
26 HA GLN 5 HA GLN 5 6.232 6.858 -1.978
27 HB2 GLN 5 HB2 GLN 5 4.518 5.779 -0.333
28 HB3 GLN 5 HB3 GLN 5 5.017 7.067 0.756
29 HG2 GLN 5 HG2 GLN 5 3.152 7.944 -0.288
30 HG3 GLN 5 HG3 GLN 5 4.489 8.644 -1.199
31 HE21 GLN 5 HE21 GLN 5 3.495 8.941 -3.117
32 HE22 GLN 5 HE22 GLN 5 2.864 7.664 -4.094
33 H GLU 6 H GLU 6 8.208 6.717 0.790
34 HA GLU 6 HA GLU 6 8.304 9.324 1.698
35 HB2 GLU 6 HB2 GLU 6 10.701 8.822 2.286
36 HB3 GLU 6 HB3 GLU 6 9.528 7.649 2.868
37 HG2 GLU 6 HG2 GLU 6 10.085 6.184 0.974
38 HG3 GLU 6 HG3 GLU 6 11.302 7.349 0.456
39 H ALA 7 H ALA 7 9.315 11.186 1.081
40 HA ALA 7 HA ALA 7 10.707 11.151 -1.517
41 HB1 ALA 7 HB1 ALA 7 9.670 13.591 -1.608
42 HB2 ALA 7 HB2 ALA 7 8.794 12.179 -2.200
43 HB3 ALA 7 HB3 ALA 7 8.439 12.830 -0.600
44 H VAL 8 H VAL 8 12.415 12.593 -1.779
45 HA VAL 8 HA VAL 8 13.314 13.949 0.680
46 HB VAL 8 HB VAL 8 15.155 12.776 -1.401
47 HG11 VAL 8 HG11 VAL 8 16.743 12.927 0.600
48 HG12 VAL 8 HG12 VAL 8 16.297 14.433 -0.205
49 HG13 VAL 8 HG13 VAL 8 15.531 13.986 1.320
50 HG21 VAL 8 HG21 VAL 8 14.443 10.788 -0.609
51 HG22 VAL 8 HG22 VAL 8 15.498 11.178 0.749
52 HG23 VAL 8 HG23 VAL 8 13.767 11.494 0.859
53 H VAL 9 H VAL 9 14.016 16.016 0.507
54 HA VAL 9 HA VAL 9 14.127 17.185 -2.197
55 HB VAL 9 HB VAL 9 12.091 17.910 -1.047
56 HG11 VAL 9 HG11 VAL 9 13.882 19.182 1.014
57 HG12 VAL 9 HG12 VAL 9 12.118 19.133 0.998
58 HG13 VAL 9 HG13 VAL 9 13.040 17.652 1.259
59 HG21 VAL 9 HG21 VAL 9 14.106 20.149 -1.185
60 HG22 VAL 9 HG22 VAL 9 13.306 19.435 -2.586
61 HG23 VAL 9 HG23 VAL 9 12.356 20.281 -1.364
62 H LYS 10 H LYS 10 15.877 18.371 -2.680
63 HA LYS 10 HA LYS 10 17.818 18.863 -0.522
64 HB2 LYS 10 HB2 LYS 10 19.468 19.015 -2.466
65 HB3 LYS 10 HB3 LYS 10 18.828 17.422 -2.085
66 HG2 LYS 10 HG2 LYS 10 17.329 18.966 -4.098
67 HG3 LYS 10 HG3 LYS 10 18.944 18.430 -4.568
68 HD2 LYS 10 HD2 LYS 10 18.387 16.205 -4.452
69 HD3 LYS 10 HD3 LYS 10 17.110 16.476 -3.263
70 HE2 LYS 10 HE2 LYS 10 15.919 17.735 -5.181
71 HE3 LYS 10 HE3 LYS 10 17.050 16.882 -6.232
72 HZ1 LYS 10 HZ1 LYS 10 15.999 14.941 -5.925
73 HZ2 LYS 10 HZ2 LYS 10 14.685 15.903 -5.468
74 HZ3 LYS 10 HZ3 LYS 10 15.688 15.226 -4.286
75 H LEU 11 H LEU 11 18.382 20.892 -0.041
76 HA LEU 11 HA LEU 11 17.656 23.027 -1.935
77 HB2 LEU 11 HB2 LEU 11 17.472 23.138 1.072
78 HB3 LEU 11 HB3 LEU 11 17.107 24.459 -0.036
79 HG LEU 11 HG LEU 11 15.387 22.614 -0.959
80 HD11 LEU 11 HD11 LEU 11 14.548 21.974 1.623
81 HD12 LEU 11 HD12 LEU 11 16.273 21.608 1.589
82 HD13 LEU 11 HD13 LEU 11 15.193 20.874 0.404
83 HD21 LEU 11 HD21 LEU 11 13.779 23.706 0.811
84 HD22 LEU 11 HD22 LEU 11 14.479 24.664 -0.493
85 HD23 LEU 11 HD23 LEU 11 15.179 24.731 1.125
86 H ARG 12 H ARG 12 19.060 24.761 -2.110
87 HA ARG 12 HA ARG 12 21.788 24.212 -1.401
88 HB2 ARG 12 HB2 ARG 12 20.858 25.376 -3.533
89 HB3 ARG 12 HB3 ARG 12 20.835 26.823 -2.533
90 HG2 ARG 12 HG2 ARG 12 23.065 27.058 -2.593
91 HG3 ARG 12 HG3 ARG 12 23.355 25.320 -2.479
92 HD2 ARG 12 HD2 ARG 12 23.650 25.161 -4.678
93 HD3 ARG 12 HD3 ARG 12 22.120 25.978 -4.994
94 HE ARG 12 HE ARG 12 24.744 27.124 -5.100
95 HH11 ARG 12 HH11 ARG 12 21.371 27.796 -4.562
96 HH12 ARG 12 HH12 ARG 12 21.496 29.463 -5.018
97 HH21 ARG 12 HH21 ARG 12 24.921 29.317 -5.704
98 HH22 ARG 12 HH22 ARG 12 23.516 30.326 -5.668
99 H VAL 13 H VAL 13 22.743 24.763 0.435
100 HA VAL 13 HA VAL 13 21.435 26.503 2.323
101 HB VAL 13 HB VAL 13 24.212 25.375 2.611
102 HG11 VAL 13 HG11 VAL 13 23.735 25.478 4.978
103 HG12 VAL 13 HG12 VAL 13 23.441 27.057 4.248
104 HG13 VAL 13 HG13 VAL 13 22.084 26.005 4.653
105 HG21 VAL 13 HG21 VAL 13 21.667 23.955 2.477
106 HG22 VAL 13 HG22 VAL 13 23.316 23.335 2.391
107 HG23 VAL 13 HG23 VAL 13 22.569 23.640 3.959
108 H GLU 14 H GLU 14 21.678 28.629 2.416
109 HA GLU 14 HA GLU 14 24.020 29.842 1.121
110 HB2 GLU 14 HB2 GLU 14 21.266 30.445 1.011
111 HB3 GLU 14 HB3 GLU 14 22.022 31.758 1.903
112 HG2 GLU 14 HG2 GLU 14 23.404 32.338 0.111
113 HG3 GLU 14 HG3 GLU 14 23.124 30.805 -0.714
114 H GLY 15 H GLY 15 22.938 28.982 4.125
115 HA2 GLY 15 HA2 GLY 15 24.227 31.274 5.455
116 HA3 GLY 15 HA3 GLY 15 23.103 30.160 6.219
117 H MET 16 H MET 16 24.987 28.226 4.416
118 HA MET 16 HA MET 16 26.267 26.966 6.508
119 HB2 MET 16 HB2 MET 16 26.281 26.798 3.644
120 HB3 MET 16 HB3 MET 16 27.927 26.636 4.241
121 HG2 MET 16 HG2 MET 16 25.714 25.045 5.463
122 HG3 MET 16 HG3 MET 16 26.461 24.532 3.951
123 HE1 MET 16 HE1 MET 16 28.018 23.970 8.139
124 HE2 MET 16 HE2 MET 16 26.954 25.311 7.712
125 HE3 MET 16 HE3 MET 16 26.420 23.648 7.463
126 H THR 17 H THR 17 28.283 27.064 7.441
127 HA THR 17 HA THR 17 30.094 29.207 6.594
128 HB THR 17 HB THR 17 29.988 29.006 9.494
129 HG1 THR 17 HG1 THR 17 27.934 29.456 9.828
130 HG21 THR 17 HG21 THR 17 29.466 31.573 8.949
131 HG22 THR 17 HG22 THR 17 30.104 31.081 7.380
132 HG23 THR 17 HG23 THR 17 31.086 30.886 8.832
133 H CYS 18 H CYS 18 32.014 29.047 8.474
134 HA CYS 18 HA CYS 18 33.073 26.361 8.035
135 HB2 CYS 18 HB2 CYS 18 34.340 28.982 8.813
136 HB3 CYS 18 HB3 CYS 18 35.218 27.460 8.910
137 HG CYS 18 HG CYS 18 34.976 26.909 6.165
138 H GLN 19 H GLN 19 31.028 27.009 10.091
139 HA GLN 19 HA GLN 19 32.516 26.487 12.561
140 HB2 GLN 19 HB2 GLN 19 30.529 28.235 12.170
141 HB3 GLN 19 HB3 GLN 19 29.564 26.826 12.587
142 HG2 GLN 19 HG2 GLN 19 29.847 27.749 14.647
143 HG3 GLN 19 HG3 GLN 19 31.237 26.666 14.597
144 HE21 GLN 19 HE21 GLN 19 32.323 27.940 16.117
145 HE22 GLN 19 HE22 GLN 19 33.037 29.453 15.689
146 H SER 20 H SER 20 31.565 24.639 10.194
147 HA SER 20 HA SER 20 30.830 22.498 9.925
148 HB2 SER 20 HB2 SER 20 32.822 22.275 11.530
149 HB3 SER 20 HB3 SER 20 31.620 22.051 12.801
150 HG SER 20 HG SER 20 32.543 20.144 11.504
151 H CYS 21 H CYS 21 28.821 24.327 10.658
152 HA CYS 21 HA CYS 21 27.183 23.452 12.767
153 HB2 CYS 21 HB2 CYS 21 26.620 25.004 10.248
154 HB3 CYS 21 HB3 CYS 21 25.347 24.617 11.398
155 HG CYS 21 HG CYS 21 26.257 27.295 11.701
156 H VAL 22 H VAL 22 27.850 22.061 9.735
157 HA VAL 22 HA VAL 22 25.505 20.804 9.003
158 HB VAL 22 HB VAL 22 28.323 19.729 8.843
159 HG11 VAL 22 HG11 VAL 22 25.749 18.560 8.080
160 HG12 VAL 22 HG12 VAL 22 26.953 18.572 6.790
161 HG13 VAL 22 HG13 VAL 22 27.317 17.792 8.330
162 HG21 VAL 22 HG21 VAL 22 28.328 21.639 7.546
163 HG22 VAL 22 HG22 VAL 22 27.862 20.410 6.369
164 HG23 VAL 22 HG23 VAL 22 26.635 21.457 7.083
165 H SER 23 H SER 23 27.946 19.692 11.331
166 HA SER 23 HA SER 23 26.684 17.247 11.953
167 HB2 SER 23 HB2 SER 23 28.968 18.763 12.893
168 HB3 SER 23 HB3 SER 23 28.097 18.031 14.241
169 HG SER 23 HG SER 23 29.779 16.850 12.628
170 H SER 24 H SER 24 26.413 20.487 13.309
171 HA SER 24 HA SER 24 24.821 19.767 15.542
172 HB2 SER 24 HB2 SER 24 26.014 21.880 15.523
173 HB3 SER 24 HB3 SER 24 25.122 22.411 14.098
174 HG SER 24 HG SER 24 24.358 22.357 16.749
175 H ILE 25 H ILE 25 24.054 20.859 12.269
176 HA ILE 25 HA ILE 25 21.263 21.084 12.638
177 HB ILE 25 HB ILE 25 22.785 20.511 10.092
178 HG12 ILE 25 HG12 ILE 25 21.690 23.200 10.613
179 HG13 ILE 25 HG13 ILE 25 23.018 22.724 11.667
180 HG21 ILE 25 HG21 ILE 25 20.410 19.963 9.916
181 HG22 ILE 25 HG22 ILE 25 19.993 21.575 10.493
182 HG23 ILE 25 HG23 ILE 25 20.814 21.378 8.945
183 HD11 ILE 25 HD11 ILE 25 23.088 23.630 8.959
184 HD12 ILE 25 HD12 ILE 25 24.422 23.322 10.072
185 HD13 ILE 25 HD13 ILE 25 23.791 22.016 9.068
186 H GLU 26 H GLU 26 23.352 18.395 11.781
187 HA GLU 26 HA GLU 26 21.431 16.589 10.865
188 HB2 GLU 26 HB2 GLU 26 24.184 16.527 11.512
189 HB3 GLU 26 HB3 GLU 26 23.428 15.209 12.395
190 HG2 GLU 26 HG2 GLU 26 22.591 15.436 9.598
191 HG3 GLU 26 HG3 GLU 26 24.299 15.068 9.832
192 H GLY 27 H GLY 27 22.478 17.370 14.145
193 HA2 GLY 27 HA2 GLY 27 21.094 15.298 15.469
194 HA3 GLY 27 HA3 GLY 27 21.613 16.811 16.197
195 H LYS 28 H LYS 28 20.032 18.363 14.205
196 HA LYS 28 HA LYS 28 17.691 18.691 15.719
197 HB2 LYS 28 HB2 LYS 28 18.945 19.986 13.543
198 HB3 LYS 28 HB3 LYS 28 17.304 19.620 13.028
199 HG2 LYS 28 HG2 LYS 28 18.132 21.195 15.454
200 HG3 LYS 28 HG3 LYS 28 17.350 21.809 13.996
201 HD2 LYS 28 HD2 LYS 28 15.450 20.190 14.551
202 HD3 LYS 28 HD3 LYS 28 16.199 20.049 16.143
203 HE2 LYS 28 HE2 LYS 28 16.127 22.644 16.120
204 HE3 LYS 28 HE3 LYS 28 14.922 22.429 14.851
205 HZ1 LYS 28 HZ1 LYS 28 14.548 22.275 17.605
206 HZ2 LYS 28 HZ2 LYS 28 14.318 20.714 16.995
207 HZ3 LYS 28 HZ3 LYS 28 13.406 22.003 16.387
208 H VAL 29 H VAL 29 18.347 16.868 12.776
209 HA VAL 29 HA VAL 29 15.762 16.247 11.987
210 HB VAL 29 HB VAL 29 18.087 15.634 10.930
211 HG11 VAL 29 HG11 VAL 29 17.414 12.974 12.146
212 HG12 VAL 29 HG12 VAL 29 18.880 13.461 11.293
213 HG13 VAL 29 HG13 VAL 29 18.551 14.084 12.911
214 HG21 VAL 29 HG21 VAL 29 15.721 13.781 10.674
215 HG22 VAL 29 HG22 VAL 29 15.868 15.351 9.884
216 HG23 VAL 29 HG23 VAL 29 16.984 14.048 9.472
217 H ARG 30 H ARG 30 17.653 14.986 14.629
218 HA ARG 30 HA ARG 30 16.168 12.637 15.121
219 HB2 ARG 30 HB2 ARG 30 18.415 13.104 16.070
220 HB3 ARG 30 HB3 ARG 30 17.696 14.330 17.106
221 HG2 ARG 30 HG2 ARG 30 16.592 12.762 18.413
222 HG3 ARG 30 HG3 ARG 30 16.712 11.507 17.177
223 HD2 ARG 30 HD2 ARG 30 19.101 12.666 18.596
224 HD3 ARG 30 HD3 ARG 30 18.236 11.239 19.168
225 HE ARG 30 HE ARG 30 20.101 11.363 17.013
226 HH11 ARG 30 HH11 ARG 30 17.246 9.733 18.160
227 HH12 ARG 30 HH12 ARG 30 17.561 8.280 17.271
228 HH21 ARG 30 HH21 ARG 30 20.526 9.455 15.838
229 HH22 ARG 30 HH22 ARG 30 19.427 8.122 15.952
230 H LYS 31 H LYS 31 15.530 15.964 15.737
231 HA LYS 31 HA LYS 31 13.468 15.388 17.713
232 HB2 LYS 31 HB2 LYS 31 14.506 17.969 16.537
233 HB3 LYS 31 HB3 LYS 31 13.165 17.895 17.673
234 HG2 LYS 31 HG2 LYS 31 15.870 16.753 18.301
235 HG3 LYS 31 HG3 LYS 31 15.443 18.435 18.629
236 HD2 LYS 31 HD2 LYS 31 13.637 16.267 19.598
237 HD3 LYS 31 HD3 LYS 31 15.141 16.581 20.469
238 HE2 LYS 31 HE2 LYS 31 14.332 19.070 20.340
239 HE3 LYS 31 HE3 LYS 31 12.749 18.331 20.104
240 HZ1 LYS 31 HZ1 LYS 31 13.168 17.050 22.173
241 HZ2 LYS 31 HZ2 LYS 31 13.051 18.719 22.416
242 HZ3 LYS 31 HZ3 LYS 31 14.567 17.968 22.421
243 H LEU 32 H LEU 32 13.769 15.702 14.349
244 HA LEU 32 HA LEU 32 11.146 16.721 13.808
245 HB2 LEU 32 HB2 LEU 32 13.412 15.656 12.226
246 HB3 LEU 32 HB3 LEU 32 11.812 15.567 11.492
247 HG LEU 32 HG LEU 32 13.101 17.560 10.805
248 HD11 LEU 32 HD11 LEU 32 11.297 19.056 10.917
249 HD12 LEU 32 HD12 LEU 32 10.735 18.397 12.453
250 HD13 LEU 32 HD13 LEU 32 10.566 17.451 10.974
251 HD21 LEU 32 HD21 LEU 32 12.783 18.429 13.675
252 HD22 LEU 32 HD22 LEU 32 13.518 19.351 12.363
253 HD23 LEU 32 HD23 LEU 32 14.293 17.879 12.950
254 H GLN 33 H GLN 33 9.290 15.636 13.391
255 HA GLN 33 HA GLN 33 9.194 12.846 14.157
256 HB2 GLN 33 HB2 GLN 33 7.482 14.373 14.993
257 HB3 GLN 33 HB3 GLN 33 6.999 14.761 13.347
258 HG2 GLN 33 HG2 GLN 33 5.987 12.714 13.017
259 HG3 GLN 33 HG3 GLN 33 6.913 11.934 14.299
260 HE21 GLN 33 HE21 GLN 33 4.614 11.207 14.715
261 HE22 GLN 33 HE22 GLN 33 3.688 12.171 15.809
262 H GLY 34 H GLY 34 7.467 14.463 11.502
263 HA2 GLY 34 HA2 GLY 34 7.159 12.239 9.894
264 HA3 GLY 34 HA3 GLY 34 7.210 13.889 9.292
265 H VAL 35 H VAL 35 9.679 14.735 9.495
266 HA VAL 35 HA VAL 35 11.083 13.684 7.410
267 HB VAL 35 HB VAL 35 11.580 15.642 9.351
268 HG11 VAL 35 HG11 VAL 35 13.902 15.323 9.963
269 HG12 VAL 35 HG12 VAL 35 12.934 13.976 10.564
270 HG13 VAL 35 HG13 VAL 35 13.936 13.771 9.127
271 HG21 VAL 35 HG21 VAL 35 13.106 16.509 7.754
272 HG22 VAL 35 HG22 VAL 35 13.394 14.913 7.060
273 HG23 VAL 35 HG23 VAL 35 11.831 15.700 6.843
274 H VAL 36 H VAL 36 12.539 12.080 7.058
275 HA VAL 36 HA VAL 36 12.750 10.033 9.122
276 HB VAL 36 HB VAL 36 13.888 9.797 6.352
277 HG11 VAL 36 HG11 VAL 36 12.814 7.833 8.370
278 HG12 VAL 36 HG12 VAL 36 13.284 7.405 6.724
279 HG13 VAL 36 HG13 VAL 36 14.488 8.030 7.852
280 HG21 VAL 36 HG21 VAL 36 11.625 8.708 5.815
281 HG22 VAL 36 HG22 VAL 36 11.014 9.620 7.194
282 HG23 VAL 36 HG23 VAL 36 11.716 10.469 5.817
283 H ARG 37 H ARG 37 14.897 11.914 7.000
284 HA ARG 37 HA ARG 37 16.895 12.147 9.012
285 HB2 ARG 37 HB2 ARG 37 18.658 10.843 7.991
286 HB3 ARG 37 HB3 ARG 37 17.279 9.800 8.313
287 HG2 ARG 37 HG2 ARG 37 16.625 9.911 5.974
288 HG3 ARG 37 HG3 ARG 37 17.975 10.998 5.640
289 HD2 ARG 37 HD2 ARG 37 18.202 8.168 6.659
290 HD3 ARG 37 HD3 ARG 37 18.477 8.685 4.996
291 HE ARG 37 HE ARG 37 20.111 10.072 6.904
292 HH11 ARG 37 HH11 ARG 37 19.815 7.204 4.953
293 HH12 ARG 37 HH12 ARG 37 21.521 6.904 4.902
294 HH21 ARG 37 HH21 ARG 37 22.359 9.688 6.844
295 HH22 ARG 37 HH22 ARG 37 22.967 8.317 5.979
296 H VAL 38 H VAL 38 18.735 13.418 8.304
297 HA VAL 38 HA VAL 38 18.259 14.848 5.772
298 HB VAL 38 HB VAL 38 17.543 16.247 7.662
299 HG11 VAL 38 HG11 VAL 38 19.289 15.156 9.217
300 HG12 VAL 38 HG12 VAL 38 20.389 16.385 8.588
301 HG13 VAL 38 HG13 VAL 38 18.916 16.866 9.433
302 HG21 VAL 38 HG21 VAL 38 18.301 17.461 5.795
303 HG22 VAL 38 HG22 VAL 38 19.108 18.197 7.179
304 HG23 VAL 38 HG23 VAL 38 19.991 17.086 6.132
305 H LYS 39 H LYS 39 19.948 14.849 4.449
306 HA LYS 39 HA LYS 39 22.613 14.298 5.580
307 HB2 LYS 39 HB2 LYS 39 21.571 12.558 4.041
308 HB3 LYS 39 HB3 LYS 39 21.752 13.733 2.745
309 HG2 LYS 39 HG2 LYS 39 23.671 12.543 2.469
310 HG3 LYS 39 HG3 LYS 39 24.245 13.780 3.590
311 HD2 LYS 39 HD2 LYS 39 23.753 12.194 5.462
312 HD3 LYS 39 HD3 LYS 39 23.406 10.959 4.249
313 HE2 LYS 39 HE2 LYS 39 25.739 11.478 3.330
314 HE3 LYS 39 HE3 LYS 39 26.016 12.316 4.856
315 HZ1 LYS 39 HZ1 LYS 39 25.058 9.996 5.732
316 HZ2 LYS 39 HZ2 LYS 39 26.707 10.290 5.497
317 HZ3 LYS 39 HZ3 LYS 39 25.816 9.471 4.313
318 H VAL 40 H VAL 40 24.025 15.905 5.456
319 HA VAL 40 HA VAL 40 23.604 17.992 3.418
320 HB VAL 40 HB VAL 40 24.945 18.230 6.115
321 HG11 VAL 40 HG11 VAL 40 25.088 20.629 5.604
322 HG12 VAL 40 HG12 VAL 40 26.028 19.656 4.471
323 HG13 VAL 40 HG13 VAL 40 24.464 20.312 3.986
324 HG21 VAL 40 HG21 VAL 40 23.022 19.872 6.466
325 HG22 VAL 40 HG22 VAL 40 22.272 19.112 5.063
326 HG23 VAL 40 HG23 VAL 40 22.629 18.153 6.499
327 H SER 41 H SER 41 25.197 18.440 2.013
328 HA SER 41 HA SER 41 27.740 16.991 2.348
329 HB2 SER 41 HB2 SER 41 26.305 16.378 0.368
330 HB3 SER 41 HB3 SER 41 26.562 18.012 -0.244
331 HG SER 41 HG SER 41 28.119 15.927 -0.574
332 H LEU 42 H LEU 42 29.178 18.359 3.208
333 HA LEU 42 HA LEU 42 29.149 21.166 2.834
334 HB2 LEU 42 HB2 LEU 42 30.894 21.232 4.290
335 HB3 LEU 42 HB3 LEU 42 30.246 19.639 4.675
336 HG LEU 42 HG LEU 42 32.612 19.449 4.606
337 HD11 LEU 42 HD11 LEU 42 32.442 18.303 1.999
338 HD12 LEU 42 HD12 LEU 42 30.922 18.029 2.851
339 HD13 LEU 42 HD13 LEU 42 32.443 17.499 3.569
340 HD21 LEU 42 HD21 LEU 42 33.972 20.585 3.242
341 HD22 LEU 42 HD22 LEU 42 32.544 21.540 2.840
342 HD23 LEU 42 HD23 LEU 42 33.021 20.189 1.811
343 H SER 43 H SER 43 30.430 18.570 0.987
344 HA SER 43 HA SER 43 32.471 20.042 -0.366
345 HB2 SER 43 HB2 SER 43 32.317 17.504 -0.135
346 HB3 SER 43 HB3 SER 43 31.096 17.564 -1.406
347 HG SER 43 HG SER 43 33.842 18.094 -1.537
348 H ASN 44 H ASN 44 29.066 19.423 -0.910
349 HA ASN 44 HA ASN 44 29.186 20.892 -3.450
350 HB2 ASN 44 HB2 ASN 44 27.949 18.553 -2.953
351 HB3 ASN 44 HB3 ASN 44 26.639 19.661 -2.556
352 HD21 ASN 44 HD21 ASN 44 25.568 20.681 -4.156
353 HD22 ASN 44 HD22 ASN 44 25.899 20.465 -5.838
354 H GLN 45 H GLN 45 28.774 21.546 -0.287
355 HA GLN 45 HA GLN 45 27.770 23.190 0.929
356 HB2 GLN 45 HB2 GLN 45 27.873 24.537 -1.773
357 HB3 GLN 45 HB3 GLN 45 27.477 25.366 -0.274
358 HG2 GLN 45 HG2 GLN 45 29.672 24.838 0.621
359 HG3 GLN 45 HG3 GLN 45 30.071 23.953 -0.850
360 HE21 GLN 45 HE21 GLN 45 31.755 25.197 -1.503
361 HE22 GLN 45 HE22 GLN 45 31.601 26.848 -1.987
362 H GLU 46 H GLU 46 26.008 21.203 0.085
363 HA GLU 46 HA GLU 46 23.528 22.759 -0.187
364 HB2 GLU 46 HB2 GLU 46 22.669 21.423 -1.839
365 HB3 GLU 46 HB3 GLU 46 24.374 21.353 -2.258
366 HG2 GLU 46 HG2 GLU 46 24.376 19.253 -0.715
367 HG3 GLU 46 HG3 GLU 46 22.641 19.269 -1.024
368 H ALA 47 H ALA 47 21.593 21.533 0.567
369 HA ALA 47 HA ALA 47 22.260 19.603 2.687
370 HB1 ALA 47 HB1 ALA 47 20.504 22.036 2.916
371 HB2 ALA 47 HB2 ALA 47 20.462 20.704 4.072
372 HB3 ALA 47 HB3 ALA 47 21.943 21.638 3.856
373 H VAL 48 H VAL 48 21.108 17.792 2.575
374 HA VAL 48 HA VAL 48 18.670 17.788 0.927
375 HB VAL 48 HB VAL 48 20.339 15.396 1.704
376 HG11 VAL 48 HG11 VAL 48 18.003 15.833 -0.120
377 HG12 VAL 48 HG12 VAL 48 19.122 14.494 -0.384
378 HG13 VAL 48 HG13 VAL 48 18.226 14.611 1.131
379 HG21 VAL 48 HG21 VAL 48 21.863 16.230 0.288
380 HG22 VAL 48 HG22 VAL 48 20.730 15.753 -0.977
381 HG23 VAL 48 HG23 VAL 48 20.736 17.412 -0.379
382 H ILE 49 H ILE 49 16.763 17.350 1.833
383 HA ILE 49 HA ILE 49 16.748 16.262 4.573
384 HB ILE 49 HB ILE 49 14.789 18.210 3.352
385 HG12 ILE 49 HG12 ILE 49 16.113 19.085 5.764
386 HG13 ILE 49 HG13 ILE 49 17.302 18.654 4.539
387 HG21 ILE 49 HG21 ILE 49 13.429 17.135 4.820
388 HG22 ILE 49 HG22 ILE 49 14.766 16.595 5.834
389 HG23 ILE 49 HG23 ILE 49 14.192 18.258 5.946
390 HD11 ILE 49 HD11 ILE 49 16.510 20.263 3.046
391 HD12 ILE 49 HD12 ILE 49 14.996 20.465 3.928
392 HD13 ILE 49 HD13 ILE 49 16.505 21.065 4.617
393 H THR 50 H THR 50 15.960 14.274 4.645
394 HA THR 50 HA THR 50 14.101 13.380 2.566
395 HB THR 50 HB THR 50 15.601 11.767 4.640
396 HG1 THR 50 HG1 THR 50 16.596 11.061 2.486
397 HG21 THR 50 HG21 THR 50 14.212 10.098 4.136
398 HG22 THR 50 HG22 THR 50 14.779 10.175 2.467
399 HG23 THR 50 HG23 THR 50 13.368 11.108 2.963
400 H TYR 51 H TYR 51 11.998 13.285 2.965
401 HA TYR 51 HA TYR 51 11.083 12.729 5.697
402 HB2 TYR 51 HB2 TYR 51 9.613 14.531 5.782
403 HB3 TYR 51 HB3 TYR 51 11.028 15.238 5.011
404 HD1 TYR 51 HD1 TYR 51 10.945 14.805 2.294
405 HD2 TYR 51 HD2 TYR 51 7.606 15.215 4.898
406 HE1 TYR 51 HE1 TYR 51 9.558 15.518 0.392
407 HE2 TYR 51 HE2 TYR 51 6.209 15.928 3.003
408 HH TYR 51 HH TYR 51 6.796 15.403 -0.016
409 H GLN 52 H GLN 52 8.557 12.436 5.597
410 HA GLN 52 HA GLN 52 7.937 10.796 3.230
411 HB2 GLN 52 HB2 GLN 52 7.390 10.249 6.142
412 HB3 GLN 52 HB3 GLN 52 6.522 9.423 4.855
413 HG2 GLN 52 HG2 GLN 52 8.261 8.105 4.345
414 HG3 GLN 52 HG3 GLN 52 9.444 9.387 4.601
415 HE21 GLN 52 HE21 GLN 52 9.451 6.585 5.462
416 HE22 GLN 52 HE22 GLN 52 9.630 6.621 7.180
417 HA PRO 53 HA PRO 53 4.426 13.439 2.797
418 HB2 PRO 53 HB2 PRO 53 3.028 11.906 1.046
419 HB3 PRO 53 HB3 PRO 53 4.453 12.841 0.578
420 HG2 PRO 53 HG2 PRO 53 4.228 9.927 1.225
421 HG3 PRO 53 HG3 PRO 53 5.128 10.717 -0.083
422 HD2 PRO 53 HD2 PRO 53 6.319 9.855 2.190
423 HD3 PRO 53 HD3 PRO 53 6.887 11.280 1.296
424 H TYR 54 H TYR 54 4.252 10.149 3.889
425 HA TYR 54 HA TYR 54 1.445 10.220 4.521
426 HB2 TYR 54 HB2 TYR 54 2.209 8.060 4.058
427 HB3 TYR 54 HB3 TYR 54 3.674 8.269 5.012
428 HD1 TYR 54 HD2 TYR 54 3.596 8.091 7.463
429 HD2 TYR 54 HD1 TYR 54 0.146 7.367 5.079
430 HE1 TYR 54 HE2 TYR 54 2.512 6.990 9.376
431 HE2 TYR 54 HE1 TYR 54 -0.947 6.265 6.987
432 HH TYR 54 HH TYR 54 -0.201 5.075 9.099
433 H LEU 55 H LEU 55 4.281 11.359 5.981
434 HA LEU 55 HA LEU 55 2.990 11.463 8.624
435 HB2 LEU 55 HB2 LEU 55 5.897 11.783 7.893
436 HB3 LEU 55 HB3 LEU 55 5.236 11.884 9.523
437 HG LEU 55 HG LEU 55 5.272 9.426 7.773
438 HD11 LEU 55 HD11 LEU 55 6.989 8.601 9.130
439 HD12 LEU 55 HD12 LEU 55 6.747 9.849 10.351
440 HD13 LEU 55 HD13 LEU 55 7.455 10.268 8.792
441 HD21 LEU 55 HD21 LEU 55 3.301 9.545 9.243
442 HD22 LEU 55 HD22 LEU 55 4.368 9.758 10.632
443 HD23 LEU 55 HD23 LEU 55 4.409 8.254 9.710
444 H ILE 56 H ILE 56 5.501 13.460 7.095
445 HA ILE 56 HA ILE 56 3.851 15.828 7.700
446 HB ILE 56 HB ILE 56 5.943 15.617 9.064
447 HG12 ILE 56 HG12 ILE 56 5.768 17.972 7.172
448 HG13 ILE 56 HG13 ILE 56 4.891 17.792 8.687
449 HG21 ILE 56 HG21 ILE 56 8.005 15.448 8.169
450 HG22 ILE 56 HG22 ILE 56 7.127 14.791 6.789
451 HG23 ILE 56 HG23 ILE 56 7.612 16.486 6.799
452 HD11 ILE 56 HD11 ILE 56 6.591 19.129 9.375
453 HD12 ILE 56 HD12 ILE 56 7.333 17.553 9.656
454 HD13 ILE 56 HD13 ILE 56 7.733 18.471 8.204
455 H GLN 57 H GLN 57 4.036 17.631 6.254
456 HA GLN 57 HA GLN 57 4.340 16.782 3.497
457 HB2 GLN 57 HB2 GLN 57 2.939 18.923 4.921
458 HB3 GLN 57 HB3 GLN 57 3.685 19.455 3.420
459 HG2 GLN 57 HG2 GLN 57 2.529 17.545 2.282
460 HG3 GLN 57 HG3 GLN 57 1.649 17.275 3.785
461 HE21 GLN 57 HE21 GLN 57 2.541 20.098 1.822
462 HE22 GLN 57 HE22 GLN 57 0.954 20.777 1.771
463 HA PRO 58 HA PRO 58 8.165 18.710 2.557
464 HB2 PRO 58 HB2 PRO 58 7.680 20.028 0.233
465 HB3 PRO 58 HB3 PRO 58 7.775 18.266 0.337
466 HG2 PRO 58 HG2 PRO 58 5.359 20.032 0.272
467 HG3 PRO 58 HG3 PRO 58 5.651 18.504 -0.580
468 HD2 PRO 58 HD2 PRO 58 4.162 18.653 1.677
469 HD3 PRO 58 HD3 PRO 58 5.143 17.230 1.272
470 H GLU 59 H GLU 59 5.477 20.995 2.035
471 HA GLU 59 HA GLU 59 6.996 23.341 2.312
472 HB2 GLU 59 HB2 GLU 59 4.076 22.710 2.580
473 HB3 GLU 59 HB3 GLU 59 4.673 24.313 2.985
474 HG2 GLU 59 HG2 GLU 59 5.477 24.654 0.766
475 HG3 GLU 59 HG3 GLU 59 5.139 22.980 0.331
476 H ASP 60 H ASP 60 5.397 21.286 4.667
477 HA ASP 60 HA ASP 60 5.634 23.045 6.877
478 HB2 ASP 60 HB2 ASP 60 4.648 20.402 6.389
479 HB3 ASP 60 HB3 ASP 60 5.705 20.360 7.797
480 H LEU 61 H LEU 61 7.680 20.439 5.633
481 HA LEU 61 HA LEU 61 9.575 20.510 7.734
482 HB2 LEU 61 HB2 LEU 61 10.650 18.883 6.600
483 HB3 LEU 61 HB3 LEU 61 9.114 18.806 5.739
484 HG LEU 61 HG LEU 61 10.332 20.539 4.149
485 HD11 LEU 61 HD11 LEU 61 12.763 19.213 4.176
486 HD12 LEU 61 HD12 LEU 61 12.443 19.566 5.874
487 HD13 LEU 61 HD13 LEU 61 12.462 20.873 4.691
488 HD21 LEU 61 HD21 LEU 61 11.351 17.847 3.643
489 HD22 LEU 61 HD22 LEU 61 10.274 18.855 2.676
490 HD23 LEU 61 HD23 LEU 61 9.627 17.902 4.013
491 H ARG 62 H ARG 62 9.100 22.442 4.901
492 HA ARG 62 HA ARG 62 11.706 23.475 4.611
493 HB2 ARG 62 HB2 ARG 62 10.153 23.765 2.819
494 HB3 ARG 62 HB3 ARG 62 9.001 24.581 3.867
495 HG2 ARG 62 HG2 ARG 62 9.923 26.558 3.470
496 HG3 ARG 62 HG3 ARG 62 11.537 25.953 3.846
497 HD2 ARG 62 HD2 ARG 62 12.073 25.748 1.686
498 HD3 ARG 62 HD3 ARG 62 10.536 24.980 1.295
499 HE ARG 62 HE ARG 62 11.228 27.716 0.906
500 HH11 ARG 62 HH11 ARG 62 8.579 25.578 1.635
501 HH12 ARG 62 HH12 ARG 62 7.373 26.642 0.993
502 HH21 ARG 62 HH21 ARG 62 9.649 29.126 0.057
503 HH22 ARG 62 HH22 ARG 62 7.982 28.660 0.095
504 H ASP 63 H ASP 63 8.926 24.543 6.516
505 HA ASP 63 HA ASP 63 10.053 26.961 7.434
506 HB2 ASP 63 HB2 ASP 63 7.991 25.238 8.823
507 HB3 ASP 63 HB3 ASP 63 8.287 26.951 9.106
508 H HIS 64 H HIS 64 10.157 23.662 8.663
509 HA HIS 64 HA HIS 64 11.308 24.213 11.167
510 HB2 HIS 64 HB2 HIS 64 10.335 21.987 10.085
511 HB3 HIS 64 HB3 HIS 64 12.037 21.701 9.733
512 HD1 HIS 64 HD1 HIS 64 9.680 20.816 12.146
513 HD2 HIS 64 HD2 HIS 64 13.566 22.267 12.377
514 HE1 HIS 64 HE1 HIS 64 10.500 20.179 14.436
515 H VAL 65 H VAL 65 12.731 23.686 7.986
516 HA VAL 65 HA VAL 65 15.414 23.460 8.747
517 HB VAL 65 HB VAL 65 14.384 24.733 6.209
518 HG11 VAL 65 HG11 VAL 65 16.552 23.642 5.348
519 HG12 VAL 65 HG12 VAL 65 16.678 25.134 6.283
520 HG13 VAL 65 HG13 VAL 65 17.021 23.581 7.047
521 HG21 VAL 65 HG21 VAL 65 14.177 22.019 7.180
522 HG22 VAL 65 HG22 VAL 65 13.468 22.757 5.744
523 HG23 VAL 65 HG23 VAL 65 15.103 22.099 5.681
524 H ASN 66 H ASN 66 13.478 26.323 7.950
525 HA ASN 66 HA ASN 66 15.561 28.205 8.138
526 HB2 ASN 66 HB2 ASN 66 13.612 28.961 7.067
527 HB3 ASN 66 HB3 ASN 66 12.569 28.399 8.371
528 HD21 ASN 66 HD21 ASN 66 12.366 29.628 10.234
529 HD22 ASN 66 HD22 ASN 66 12.872 31.279 10.307
530 H ASP 67 H ASP 67 13.752 26.520 10.539
531 HA ASP 67 HA ASP 67 13.987 28.295 12.701
532 HB2 ASP 67 HB2 ASP 67 12.654 26.062 12.467
533 HB3 ASP 67 HB3 ASP 67 14.132 25.321 13.076
534 H MET 68 H MET 68 16.311 26.297 11.128
535 HA MET 68 HA MET 68 18.160 26.104 13.294
536 HB2 MET 68 HB2 MET 68 18.422 25.693 10.319
537 HB3 MET 68 HB3 MET 68 19.782 25.510 11.418
538 HG2 MET 68 HG2 MET 68 17.308 24.024 12.067
539 HG3 MET 68 HG3 MET 68 18.246 23.478 10.679
540 HE1 MET 68 HE1 MET 68 19.494 24.748 14.497
541 HE2 MET 68 HE2 MET 68 17.879 24.072 14.284
542 HE3 MET 68 HE3 MET 68 19.134 23.124 15.083
543 H GLY 69 H GLY 69 17.248 28.633 11.247
544 HA2 GLY 69 HA2 GLY 69 18.002 30.857 11.565
545 HA3 GLY 69 HA3 GLY 69 19.517 30.226 12.194
546 H PHE 70 H PHE 70 19.419 28.310 9.769
547 HA PHE 70 HA PHE 70 20.957 30.061 8.045
548 HB2 PHE 70 HB2 PHE 70 20.365 27.141 7.574
549 HB3 PHE 70 HB3 PHE 70 21.712 28.089 6.952
550 HD1 PHE 70 HD2 PHE 70 23.313 29.086 8.751
551 HD2 PHE 70 HD1 PHE 70 20.675 25.816 9.431
552 HE1 PHE 70 HE2 PHE 70 24.695 28.371 10.657
553 HE2 PHE 70 HE1 PHE 70 22.052 25.097 11.338
554 HZ PHE 70 HZ PHE 70 24.066 26.374 11.953
555 H GLU 71 H GLU 71 20.646 29.862 5.639
556 HA GLU 71 HA GLU 71 17.768 29.973 5.026
557 HB2 GLU 71 HB2 GLU 71 19.953 31.268 3.406
558 HB3 GLU 71 HB3 GLU 71 18.227 31.598 3.361
559 HG2 GLU 71 HG2 GLU 71 18.465 32.399 5.754
560 HG3 GLU 71 HG3 GLU 71 20.207 32.347 5.486
561 H ALA 72 H ALA 72 16.963 28.502 3.686
562 HA ALA 72 HA ALA 72 18.823 27.041 1.926
563 HB1 ALA 72 HB1 ALA 72 16.715 25.328 2.259
564 HB2 ALA 72 HB2 ALA 72 18.245 25.250 3.133
565 HB3 ALA 72 HB3 ALA 72 16.859 26.068 3.854
566 H ALA 73 H ALA 73 18.214 26.680 -0.170
567 HA ALA 73 HA ALA 73 15.617 27.790 -1.012
568 HB1 ALA 73 HB1 ALA 73 17.909 29.055 -1.535
569 HB2 ALA 73 HB2 ALA 73 17.878 27.954 -2.912
570 HB3 ALA 73 HB3 ALA 73 16.537 29.066 -2.642
571 H ILE 74 H ILE 74 14.498 26.674 -2.558
572 HA ILE 74 HA ILE 74 15.025 23.920 -2.857
573 HB ILE 74 HB ILE 74 13.187 25.626 -4.540
574 HG12 ILE 74 HG12 ILE 74 12.597 24.087 -2.002
575 HG13 ILE 74 HG13 ILE 74 12.747 25.837 -2.110
576 HG21 ILE 74 HG21 ILE 74 12.221 22.993 -4.116
577 HG22 ILE 74 HG22 ILE 74 12.696 23.759 -5.631
578 HG23 ILE 74 HG23 ILE 74 13.889 22.879 -4.676
579 HD11 ILE 74 HD11 ILE 74 10.866 25.573 -3.910
580 HD12 ILE 74 HD12 ILE 74 10.567 24.056 -3.060
581 HD13 ILE 74 HD13 ILE 74 10.481 25.587 -2.189
582 H LYS 75 H LYS 75 16.345 22.893 -4.195
583 HA LYS 75 HA LYS 75 18.085 24.098 -5.969
584 HB2 LYS 75 HB2 LYS 75 18.634 21.910 -6.755
585 HB3 LYS 75 HB3 LYS 75 18.253 21.768 -5.044
586 HG2 LYS 75 HG2 LYS 75 17.051 20.009 -5.779
587 HG3 LYS 75 HG3 LYS 75 15.835 21.258 -6.056
588 HD2 LYS 75 HD2 LYS 75 15.795 20.312 -8.118
589 HD3 LYS 75 HD3 LYS 75 17.145 21.418 -8.382
590 HE2 LYS 75 HE2 LYS 75 18.683 19.567 -7.703
591 HE3 LYS 75 HE3 LYS 75 17.287 18.491 -7.677
592 HZ1 LYS 75 HZ1 LYS 75 17.079 19.623 -10.103
593 HZ2 LYS 75 HZ2 LYS 75 17.826 18.135 -9.803
594 HZ3 LYS 75 HZ3 LYS 75 18.760 19.541 -9.926
595 H SER 76 H SER 76 14.828 22.923 -6.512
596 HA SER 76 HA SER 76 15.028 23.531 -9.369
597 HB2 SER 76 HB2 SER 76 13.183 22.172 -9.707
598 HB3 SER 76 HB3 SER 76 13.904 21.403 -8.293
599 HG SER 76 HG SER 76 11.904 21.671 -7.602
Start of MODEL 7
1 H1 ALA 1 H ALA 1 9.977 0.137 6.763
2 HA ALA 1 HA ALA 1 11.000 -0.637 4.882
3 HB1 ALA 1 HB1 ALA 1 8.278 -1.828 4.365
4 HB2 ALA 1 HB2 ALA 1 9.766 -2.275 3.530
5 HB3 ALA 1 HB3 ALA 1 9.599 -2.581 5.259
6 H GLY 2 H GLY 2 9.765 2.001 4.822
7 HA2 GLY 2 HA2 GLY 2 8.650 2.320 2.171
8 HA3 GLY 2 HA3 GLY 2 8.979 3.601 3.328
9 H HIS 3 H HIS 3 10.092 1.913 0.572
10 HA HIS 3 HA HIS 3 12.766 3.068 0.724
11 HB2 HIS 3 HB2 HIS 3 12.194 0.677 -0.104
12 HB3 HIS 3 HB3 HIS 3 11.711 1.476 -1.597
13 HD1 HIS 3 HD1 HIS 3 13.912 3.481 -2.017
14 HD2 HIS 3 HD2 HIS 3 14.619 -0.380 -0.657
15 HE1 HIS 3 HE1 HIS 3 16.313 2.998 -2.586
16 H MET 4 H MET 4 9.928 3.148 -1.415
17 HA MET 4 HA MET 4 10.930 5.704 -2.486
18 HB2 MET 4 HB2 MET 4 9.558 3.412 -3.854
19 HB3 MET 4 HB3 MET 4 9.424 5.040 -4.504
20 HG2 MET 4 HG2 MET 4 11.765 5.187 -4.852
21 HG3 MET 4 HG3 MET 4 12.055 3.708 -3.940
22 HE1 MET 4 HE1 MET 4 13.317 2.347 -6.876
23 HE2 MET 4 HE2 MET 4 12.943 3.873 -7.677
24 HE3 MET 4 HE3 MET 4 13.539 3.871 -6.016
25 H GLN 5 H GLN 5 9.092 5.003 -0.196
26 HA GLN 5 HA GLN 5 6.577 6.176 -1.116
27 HB2 GLN 5 HB2 GLN 5 6.871 4.107 0.485
28 HB3 GLN 5 HB3 GLN 5 7.056 5.348 1.717
29 HG2 GLN 5 HG2 GLN 5 4.812 4.949 1.834
30 HG3 GLN 5 HG3 GLN 5 4.851 6.288 0.689
31 HE21 GLN 5 HE21 GLN 5 2.658 5.213 0.346
32 HE22 GLN 5 HE22 GLN 5 2.586 4.022 -0.903
33 H GLU 6 H GLU 6 9.477 7.051 0.440
34 HA GLU 6 HA GLU 6 8.260 9.452 1.613
35 HB2 GLU 6 HB2 GLU 6 10.186 9.669 2.974
36 HB3 GLU 6 HB3 GLU 6 9.772 7.961 2.997
37 HG2 GLU 6 HG2 GLU 6 11.481 7.678 1.141
38 HG3 GLU 6 HG3 GLU 6 12.015 9.311 1.536
39 H ALA 7 H ALA 7 8.858 11.495 1.001
40 HA ALA 7 HA ALA 7 10.433 11.667 -1.477
41 HB1 ALA 7 HB1 ALA 7 9.222 14.075 -1.316
42 HB2 ALA 7 HB2 ALA 7 8.530 12.674 -2.134
43 HB3 ALA 7 HB3 ALA 7 8.040 13.062 -0.485
44 H VAL 8 H VAL 8 12.111 13.113 -1.679
45 HA VAL 8 HA VAL 8 12.933 14.504 0.788
46 HB VAL 8 HB VAL 8 14.824 13.343 -1.258
47 HG11 VAL 8 HG11 VAL 8 15.627 15.261 0.098
48 HG12 VAL 8 HG12 VAL 8 15.331 14.308 1.554
49 HG13 VAL 8 HG13 VAL 8 16.533 13.775 0.377
50 HG21 VAL 8 HG21 VAL 8 15.237 11.809 0.898
51 HG22 VAL 8 HG22 VAL 8 13.511 12.116 1.092
52 HG23 VAL 8 HG23 VAL 8 14.113 11.373 -0.390
53 H VAL 9 H VAL 9 13.745 16.559 0.600
54 HA VAL 9 HA VAL 9 13.726 17.737 -2.103
55 HB VAL 9 HB VAL 9 11.771 18.508 -0.874
56 HG11 VAL 9 HG11 VAL 9 13.740 19.491 1.189
57 HG12 VAL 9 HG12 VAL 9 12.008 19.827 1.181
58 HG13 VAL 9 HG13 VAL 9 12.587 18.174 1.395
59 HG21 VAL 9 HG21 VAL 9 13.936 20.581 -1.194
60 HG22 VAL 9 HG22 VAL 9 12.743 20.086 -2.395
61 HG23 VAL 9 HG23 VAL 9 12.230 20.959 -0.951
62 H LYS 10 H LYS 10 15.444 18.945 -2.670
63 HA LYS 10 HA LYS 10 17.530 19.353 -0.634
64 HB2 LYS 10 HB2 LYS 10 19.054 19.542 -2.668
65 HB3 LYS 10 HB3 LYS 10 18.402 17.946 -2.317
66 HG2 LYS 10 HG2 LYS 10 16.899 19.677 -4.202
67 HG3 LYS 10 HG3 LYS 10 18.409 18.951 -4.757
68 HD2 LYS 10 HD2 LYS 10 16.516 17.167 -3.346
69 HD3 LYS 10 HD3 LYS 10 16.035 17.723 -4.951
70 HE2 LYS 10 HE2 LYS 10 17.189 15.746 -5.379
71 HE3 LYS 10 HE3 LYS 10 18.392 16.999 -5.678
72 HZ1 LYS 10 HZ1 LYS 10 18.156 15.626 -3.067
73 HZ2 LYS 10 HZ2 LYS 10 19.445 16.556 -3.643
74 HZ3 LYS 10 HZ3 LYS 10 19.135 15.034 -4.313
75 H LEU 11 H LEU 11 18.258 21.354 -0.199
76 HA LEU 11 HA LEU 11 17.325 23.560 -1.914
77 HB2 LEU 11 HB2 LEU 11 17.471 23.447 1.092
78 HB3 LEU 11 HB3 LEU 11 17.225 24.933 0.178
79 HG LEU 11 HG LEU 11 15.176 23.603 -0.804
80 HD11 LEU 11 HD11 LEU 11 14.438 21.802 0.309
81 HD12 LEU 11 HD12 LEU 11 14.906 22.452 1.879
82 HD13 LEU 11 HD13 LEU 11 16.109 21.668 0.857
83 HD21 LEU 11 HD21 LEU 11 14.507 24.411 1.909
84 HD22 LEU 11 HD22 LEU 11 13.987 25.086 0.365
85 HD23 LEU 11 HD23 LEU 11 15.523 25.586 1.074
86 H ARG 12 H ARG 12 18.639 25.537 -1.748
87 HA ARG 12 HA ARG 12 21.470 24.838 -1.604
88 HB2 ARG 12 HB2 ARG 12 20.001 26.345 -3.399
89 HB3 ARG 12 HB3 ARG 12 20.829 27.562 -2.436
90 HG2 ARG 12 HG2 ARG 12 22.932 26.837 -3.092
91 HG3 ARG 12 HG3 ARG 12 22.336 25.251 -3.589
92 HD2 ARG 12 HD2 ARG 12 21.140 26.296 -5.457
93 HD3 ARG 12 HD3 ARG 12 21.753 27.873 -4.962
94 HE ARG 12 HE ARG 12 23.844 25.978 -5.422
95 HH11 ARG 12 HH11 ARG 12 21.663 28.209 -6.968
96 HH12 ARG 12 HH12 ARG 12 22.685 28.456 -8.345
97 HH21 ARG 12 HH21 ARG 12 25.198 26.296 -7.230
98 HH22 ARG 12 HH22 ARG 12 24.695 27.367 -8.494
99 H VAL 13 H VAL 13 22.616 25.293 0.146
100 HA VAL 13 HA VAL 13 21.595 27.253 2.063
101 HB VAL 13 HB VAL 13 24.000 25.528 2.546
102 HG11 VAL 13 HG11 VAL 13 22.871 27.452 4.045
103 HG12 VAL 13 HG12 VAL 13 21.962 26.051 4.614
104 HG13 VAL 13 HG13 VAL 13 23.723 26.064 4.722
105 HG21 VAL 13 HG21 VAL 13 22.699 23.745 2.069
106 HG22 VAL 13 HG22 VAL 13 22.048 24.060 3.677
107 HG23 VAL 13 HG23 VAL 13 21.199 24.653 2.250
108 H GLU 14 H GLU 14 22.455 29.212 2.256
109 HA GLU 14 HA GLU 14 25.016 29.749 0.918
110 HB2 GLU 14 HB2 GLU 14 22.523 31.116 0.927
111 HB3 GLU 14 HB3 GLU 14 23.698 32.152 1.725
112 HG2 GLU 14 HG2 GLU 14 25.019 32.335 -0.161
113 HG3 GLU 14 HG3 GLU 14 24.363 30.868 -0.887
114 H GLY 15 H GLY 15 23.808 29.156 3.929
115 HA2 GLY 15 HA2 GLY 15 25.505 31.089 5.322
116 HA3 GLY 15 HA3 GLY 15 24.341 30.003 6.067
117 H MET 16 H MET 16 25.485 27.751 4.403
118 HA MET 16 HA MET 16 27.078 26.547 6.285
119 HB2 MET 16 HB2 MET 16 26.071 25.392 4.345
120 HB3 MET 16 HB3 MET 16 27.256 26.153 3.293
121 HG2 MET 16 HG2 MET 16 28.662 24.876 5.391
122 HG3 MET 16 HG3 MET 16 27.470 23.739 4.764
123 HE1 MET 16 HE1 MET 16 30.626 25.918 3.974
124 HE2 MET 16 HE2 MET 16 30.748 25.759 2.222
125 HE3 MET 16 HE3 MET 16 29.399 26.645 2.936
126 H THR 17 H THR 17 29.256 26.378 6.694
127 HA THR 17 HA THR 17 31.094 28.012 5.099
128 HB THR 17 HB THR 17 30.844 28.195 8.108
129 HG1 THR 17 HG1 THR 17 29.551 29.775 7.562
130 HG21 THR 17 HG21 THR 17 33.149 28.332 7.690
131 HG22 THR 17 HG22 THR 17 32.619 30.014 7.736
132 HG23 THR 17 HG23 THR 17 32.914 29.224 6.188
133 H CYS 18 H CYS 18 31.372 26.314 8.213
134 HA CYS 18 HA CYS 18 33.423 24.594 6.981
135 HB2 CYS 18 HB2 CYS 18 33.460 26.210 9.398
136 HB3 CYS 18 HB3 CYS 18 33.848 24.527 9.734
137 HG CYS 18 HG CYS 18 35.799 26.846 8.586
138 H GLN 19 H GLN 19 33.718 22.481 8.152
139 HA GLN 19 HA GLN 19 31.237 21.103 8.222
140 HB2 GLN 19 HB2 GLN 19 32.651 19.159 8.965
141 HB3 GLN 19 HB3 GLN 19 33.150 19.908 7.455
142 HG2 GLN 19 HG2 GLN 19 35.148 20.452 8.263
143 HG3 GLN 19 HG3 GLN 19 34.466 21.074 9.765
144 HE21 GLN 19 HE21 GLN 19 34.086 19.615 11.485
145 HE22 GLN 19 HE22 GLN 19 34.953 18.125 11.593
146 H SER 20 H SER 20 29.872 21.688 9.830
147 HA SER 20 HA SER 20 30.174 20.634 12.392
148 HB2 SER 20 HB2 SER 20 30.225 23.010 13.546
149 HB3 SER 20 HB3 SER 20 31.724 22.189 13.113
150 HG SER 20 HG SER 20 30.887 24.558 12.305
151 H CYS 21 H CYS 21 28.751 23.180 10.425
152 HA CYS 21 HA CYS 21 26.445 23.633 11.962
153 HB2 CYS 21 HB2 CYS 21 27.362 24.256 9.243
154 HB3 CYS 21 HB3 CYS 21 25.616 24.098 9.387
155 HG CYS 21 HG CYS 21 25.880 25.922 11.782
156 H VAL 22 H VAL 22 27.072 21.382 9.298
157 HA VAL 22 HA VAL 22 24.485 20.354 9.030
158 HB VAL 22 HB VAL 22 27.113 18.932 8.577
159 HG11 VAL 22 HG11 VAL 22 24.304 18.271 7.714
160 HG12 VAL 22 HG12 VAL 22 25.744 17.548 6.994
161 HG13 VAL 22 HG13 VAL 22 25.389 17.294 8.703
162 HG21 VAL 22 HG21 VAL 22 26.582 19.528 6.166
163 HG22 VAL 22 HG22 VAL 22 25.390 20.655 6.813
164 HG23 VAL 22 HG23 VAL 22 27.097 20.854 7.209
165 H SER 23 H SER 23 27.182 19.274 11.070
166 HA SER 23 HA SER 23 26.067 16.974 12.128
167 HB2 SER 23 HB2 SER 23 28.235 18.779 12.823
168 HB3 SER 23 HB3 SER 23 27.455 18.123 14.262
169 HG SER 23 HG SER 23 28.998 16.867 12.361
170 H SER 24 H SER 24 25.575 20.332 13.077
171 HA SER 24 HA SER 24 24.078 19.780 15.422
172 HB2 SER 24 HB2 SER 24 25.220 21.980 14.767
173 HB3 SER 24 HB3 SER 24 23.808 22.279 13.753
174 HG SER 24 HG SER 24 22.853 22.939 15.491
175 H ILE 25 H ILE 25 23.183 20.406 12.060
176 HA ILE 25 HA ILE 25 20.390 20.484 12.465
177 HB ILE 25 HB ILE 25 21.871 19.667 9.963
178 HG12 ILE 25 HG12 ILE 25 20.832 22.401 10.732
179 HG13 ILE 25 HG13 ILE 25 22.512 21.906 10.909
180 HG21 ILE 25 HG21 ILE 25 19.047 20.606 10.428
181 HG22 ILE 25 HG22 ILE 25 19.802 20.492 8.839
182 HG23 ILE 25 HG23 ILE 25 19.569 19.039 9.810
183 HD11 ILE 25 HD11 ILE 25 22.882 22.563 8.835
184 HD12 ILE 25 HD12 ILE 25 21.767 21.324 8.260
185 HD13 ILE 25 HD13 ILE 25 21.174 22.944 8.622
186 H GLU 26 H GLU 26 22.628 17.900 12.452
187 HA GLU 26 HA GLU 26 21.007 15.794 11.535
188 HB2 GLU 26 HB2 GLU 26 23.604 16.065 12.515
189 HB3 GLU 26 HB3 GLU 26 22.815 14.990 13.660
190 HG2 GLU 26 HG2 GLU 26 22.169 13.507 11.840
191 HG3 GLU 26 HG3 GLU 26 22.936 14.589 10.680
192 H GLY 27 H GLY 27 21.392 17.261 14.721
193 HA2 GLY 27 HA2 GLY 27 19.914 15.354 16.184
194 HA3 GLY 27 HA3 GLY 27 20.198 17.020 16.667
195 H LYS 28 H LYS 28 18.926 18.167 14.326
196 HA LYS 28 HA LYS 28 16.359 18.556 15.262
197 HB2 LYS 28 HB2 LYS 28 17.569 18.858 12.526
198 HB3 LYS 28 HB3 LYS 28 15.872 19.220 12.809
199 HG2 LYS 28 HG2 LYS 28 18.148 20.496 14.308
200 HG3 LYS 28 HG3 LYS 28 17.358 21.201 12.895
201 HD2 LYS 28 HD2 LYS 28 16.032 22.193 14.418
202 HD3 LYS 28 HD3 LYS 28 15.216 20.629 14.465
203 HE2 LYS 28 HE2 LYS 28 17.348 20.329 16.208
204 HE3 LYS 28 HE3 LYS 28 16.787 21.974 16.503
205 HZ1 LYS 28 HZ1 LYS 28 14.744 21.249 17.207
206 HZ2 LYS 28 HZ2 LYS 28 15.730 19.999 17.776
207 HZ3 LYS 28 HZ3 LYS 28 14.829 19.787 16.360
208 H VAL 29 H VAL 29 17.512 16.186 12.903
209 HA VAL 29 HA VAL 29 15.117 15.168 11.986
210 HB VAL 29 HB VAL 29 17.758 13.822 12.495
211 HG11 VAL 29 HG11 VAL 29 16.866 11.921 11.135
212 HG12 VAL 29 HG12 VAL 29 16.164 12.062 12.748
213 HG13 VAL 29 HG13 VAL 29 15.255 12.608 11.338
214 HG21 VAL 29 HG21 VAL 29 17.592 15.490 10.683
215 HG22 VAL 29 HG22 VAL 29 17.946 13.870 10.082
216 HG23 VAL 29 HG23 VAL 29 16.315 14.526 9.940
217 H ARG 30 H ARG 30 16.892 14.285 14.928
218 HA ARG 30 HA ARG 30 15.159 12.222 15.749
219 HB2 ARG 30 HB2 ARG 30 17.536 12.907 16.601
220 HB3 ARG 30 HB3 ARG 30 16.640 13.928 17.718
221 HG2 ARG 30 HG2 ARG 30 15.905 12.182 18.942
222 HG3 ARG 30 HG3 ARG 30 15.767 11.117 17.542
223 HD2 ARG 30 HD2 ARG 30 18.141 10.749 17.519
224 HD3 ARG 30 HD3 ARG 30 18.382 11.954 18.785
225 HE ARG 30 HE ARG 30 16.730 10.171 19.956
226 HH11 ARG 30 HH11 ARG 30 19.741 9.848 18.240
227 HH12 ARG 30 HH12 ARG 30 20.248 8.450 19.129
228 HH21 ARG 30 HH21 ARG 30 17.386 8.330 21.133
229 HH22 ARG 30 HH22 ARG 30 18.907 7.587 20.773
230 H LYS 31 H LYS 31 14.940 15.669 15.946
231 HA LYS 31 HA LYS 31 12.771 15.563 17.895
232 HB2 LYS 31 HB2 LYS 31 14.270 17.831 16.593
233 HB3 LYS 31 HB3 LYS 31 12.834 18.096 17.573
234 HG2 LYS 31 HG2 LYS 31 15.273 16.654 18.578
235 HG3 LYS 31 HG3 LYS 31 15.024 18.393 18.754
236 HD2 LYS 31 HD2 LYS 31 13.103 18.067 20.111
237 HD3 LYS 31 HD3 LYS 31 13.042 16.345 19.727
238 HE2 LYS 31 HE2 LYS 31 15.423 16.315 20.792
239 HE3 LYS 31 HE3 LYS 31 14.904 17.825 21.538
240 HZ1 LYS 31 HZ1 LYS 31 14.361 15.263 22.407
241 HZ2 LYS 31 HZ2 LYS 31 12.894 15.846 21.799
242 HZ3 LYS 31 HZ3 LYS 31 13.708 16.704 23.009
243 H LEU 32 H LEU 32 13.223 15.558 14.531
244 HA LEU 32 HA LEU 32 10.774 16.871 13.815
245 HB2 LEU 32 HB2 LEU 32 13.003 15.562 12.433
246 HB3 LEU 32 HB3 LEU 32 11.442 15.369 11.639
247 HG LEU 32 HG LEU 32 12.679 17.258 10.724
248 HD11 LEU 32 HD11 LEU 32 10.071 17.212 11.322
249 HD12 LEU 32 HD12 LEU 32 10.849 18.563 10.499
250 HD13 LEU 32 HD13 LEU 32 10.553 18.642 12.235
251 HD21 LEU 32 HD21 LEU 32 14.051 18.222 12.241
252 HD22 LEU 32 HD22 LEU 32 12.943 17.944 13.585
253 HD23 LEU 32 HD23 LEU 32 12.665 19.287 12.475
254 H GLN 33 H GLN 33 8.809 16.003 13.404
255 HA GLN 33 HA GLN 33 8.349 13.288 14.309
256 HB2 GLN 33 HB2 GLN 33 6.851 15.128 15.004
257 HB3 GLN 33 HB3 GLN 33 6.385 15.365 13.325
258 HG2 GLN 33 HG2 GLN 33 5.378 13.183 13.245
259 HG3 GLN 33 HG3 GLN 33 5.951 12.822 14.872
260 HE21 GLN 33 HE21 GLN 33 4.127 15.372 13.203
261 HE22 GLN 33 HE22 GLN 33 2.902 15.521 14.411
262 H GLY 34 H GLY 34 7.562 15.169 11.378
263 HA2 GLY 34 HA2 GLY 34 6.854 12.793 9.914
264 HA3 GLY 34 HA3 GLY 34 6.943 14.428 9.274
265 H VAL 35 H VAL 35 9.441 15.216 9.507
266 HA VAL 35 HA VAL 35 10.843 14.167 7.443
267 HB VAL 35 HB VAL 35 11.427 15.973 9.538
268 HG11 VAL 35 HG11 VAL 35 13.678 14.021 9.061
269 HG12 VAL 35 HG12 VAL 35 13.779 15.520 9.987
270 HG13 VAL 35 HG13 VAL 35 12.767 14.194 10.561
271 HG21 VAL 35 HG21 VAL 35 13.203 15.443 7.179
272 HG22 VAL 35 HG22 VAL 35 11.599 16.149 6.983
273 HG23 VAL 35 HG23 VAL 35 12.816 16.981 7.950
274 H VAL 36 H VAL 36 12.260 12.525 7.056
275 HA VAL 36 HA VAL 36 12.285 10.357 8.998
276 HB VAL 36 HB VAL 36 13.561 10.254 6.279
277 HG11 VAL 36 HG11 VAL 36 12.971 7.874 6.450
278 HG12 VAL 36 HG12 VAL 36 14.010 8.397 7.777
279 HG13 VAL 36 HG13 VAL 36 12.282 8.171 8.046
280 HG21 VAL 36 HG21 VAL 36 11.365 11.093 5.840
281 HG22 VAL 36 HG22 VAL 36 11.375 9.374 5.447
282 HG23 VAL 36 HG23 VAL 36 10.641 9.929 6.951
283 H ARG 37 H ARG 37 14.635 12.242 7.104
284 HA ARG 37 HA ARG 37 16.513 12.318 9.232
285 HB2 ARG 37 HB2 ARG 37 18.310 11.016 8.051
286 HB3 ARG 37 HB3 ARG 37 16.994 10.044 8.695
287 HG2 ARG 37 HG2 ARG 37 16.091 9.653 6.567
288 HG3 ARG 37 HG3 ARG 37 17.043 10.948 5.837
289 HD2 ARG 37 HD2 ARG 37 18.300 9.177 5.168
290 HD3 ARG 37 HD3 ARG 37 19.046 9.455 6.741
291 HE ARG 37 HE ARG 37 17.072 7.700 7.306
292 HH11 ARG 37 HH11 ARG 37 19.632 7.730 4.946
293 HH12 ARG 37 HH12 ARG 37 19.790 6.005 4.904
294 HH21 ARG 37 HH21 ARG 37 17.270 5.428 7.259
295 HH22 ARG 37 HH22 ARG 37 18.446 4.697 6.220
296 H VAL 38 H VAL 38 18.724 13.133 8.342
297 HA VAL 38 HA VAL 38 18.179 15.024 6.146
298 HB VAL 38 HB VAL 38 18.343 16.155 8.330
299 HG11 VAL 38 HG11 VAL 38 21.247 15.455 8.451
300 HG12 VAL 38 HG12 VAL 38 20.179 16.037 9.730
301 HG13 VAL 38 HG13 VAL 38 20.045 14.374 9.157
302 HG21 VAL 38 HG21 VAL 38 20.812 17.171 7.257
303 HG22 VAL 38 HG22 VAL 38 19.681 16.794 5.957
304 HG23 VAL 38 HG23 VAL 38 19.205 17.898 7.248
305 H LYS 39 H LYS 39 19.536 14.999 4.468
306 HA LYS 39 HA LYS 39 22.020 13.436 4.729
307 HB2 LYS 39 HB2 LYS 39 20.211 12.587 3.161
308 HB3 LYS 39 HB3 LYS 39 20.533 14.000 2.164
309 HG2 LYS 39 HG2 LYS 39 23.036 12.975 2.505
310 HG3 LYS 39 HG3 LYS 39 22.043 11.516 2.454
311 HD2 LYS 39 HD2 LYS 39 20.971 12.531 0.368
312 HD3 LYS 39 HD3 LYS 39 22.321 13.669 0.374
313 HE2 LYS 39 HE2 LYS 39 22.701 10.685 0.432
314 HE3 LYS 39 HE3 LYS 39 22.586 11.601 -1.070
315 HZ1 LYS 39 HZ1 LYS 39 24.484 12.602 0.887
316 HZ2 LYS 39 HZ2 LYS 39 24.624 12.480 -0.794
317 HZ3 LYS 39 HZ3 LYS 39 24.879 11.118 0.177
318 H VAL 40 H VAL 40 21.392 16.398 5.136
319 HA VAL 40 HA VAL 40 22.348 18.067 3.215
320 HB VAL 40 HB VAL 40 22.852 18.149 6.185
321 HG11 VAL 40 HG11 VAL 40 23.455 20.543 5.830
322 HG12 VAL 40 HG12 VAL 40 24.640 19.399 5.197
323 HG13 VAL 40 HG13 VAL 40 23.528 20.216 4.098
324 HG21 VAL 40 HG21 VAL 40 21.172 20.150 4.825
325 HG22 VAL 40 HG22 VAL 40 20.544 18.502 4.831
326 HG23 VAL 40 HG23 VAL 40 20.922 19.307 6.354
327 H SER 41 H SER 41 24.184 18.330 2.127
328 HA SER 41 HA SER 41 26.589 16.942 3.109
329 HB2 SER 41 HB2 SER 41 25.563 16.201 0.899
330 HB3 SER 41 HB3 SER 41 26.065 17.762 0.250
331 HG SER 41 HG SER 41 28.228 17.172 0.963
332 H LEU 42 H LEU 42 27.893 18.347 4.089
333 HA LEU 42 HA LEU 42 27.925 21.133 3.557
334 HB2 LEU 42 HB2 LEU 42 28.529 20.272 5.729
335 HB3 LEU 42 HB3 LEU 42 29.873 19.369 5.033
336 HG LEU 42 HG LEU 42 30.329 22.048 4.348
337 HD11 LEU 42 HD11 LEU 42 29.644 21.816 7.272
338 HD12 LEU 42 HD12 LEU 42 28.638 22.626 6.072
339 HD13 LEU 42 HD13 LEU 42 30.253 23.239 6.427
340 HD21 LEU 42 HD21 LEU 42 32.150 20.658 4.757
341 HD22 LEU 42 HD22 LEU 42 31.509 20.110 6.306
342 HD23 LEU 42 HD23 LEU 42 32.146 21.747 6.144
343 H SER 43 H SER 43 29.745 18.419 2.338
344 HA SER 43 HA SER 43 31.891 19.890 1.209
345 HB2 SER 43 HB2 SER 43 32.290 17.584 1.502
346 HB3 SER 43 HB3 SER 43 30.775 17.134 0.718
347 HG SER 43 HG SER 43 32.379 16.785 -0.759
348 H ASN 44 H ASN 44 28.664 19.126 0.143
349 HA ASN 44 HA ASN 44 29.224 20.200 -2.526
350 HB2 ASN 44 HB2 ASN 44 27.855 18.003 -1.954
351 HB3 ASN 44 HB3 ASN 44 26.534 19.152 -1.759
352 HD21 ASN 44 HD21 ASN 44 27.265 17.019 -3.792
353 HD22 ASN 44 HD22 ASN 44 27.073 17.816 -5.313
354 H GLN 45 H GLN 45 28.446 21.406 0.377
355 HA GLN 45 HA GLN 45 27.392 23.271 1.153
356 HB2 GLN 45 HB2 GLN 45 27.593 24.261 -1.690
357 HB3 GLN 45 HB3 GLN 45 27.541 25.225 -0.221
358 HG2 GLN 45 HG2 GLN 45 29.725 23.848 0.333
359 HG3 GLN 45 HG3 GLN 45 29.790 23.714 -1.423
360 HE21 GLN 45 HE21 GLN 45 31.829 24.965 -0.391
361 HE22 GLN 45 HE22 GLN 45 31.726 26.678 -0.589
362 H GLU 46 H GLU 46 25.663 21.183 0.415
363 HA GLU 46 HA GLU 46 23.284 22.733 -0.347
364 HB2 GLU 46 HB2 GLU 46 22.550 21.188 -1.886
365 HB3 GLU 46 HB3 GLU 46 24.288 21.083 -2.132
366 HG2 GLU 46 HG2 GLU 46 24.046 19.202 -0.275
367 HG3 GLU 46 HG3 GLU 46 22.415 19.126 -0.941
368 H ALA 47 H ALA 47 21.278 21.903 0.488
369 HA ALA 47 HA ALA 47 21.646 20.233 2.890
370 HB1 ALA 47 HB1 ALA 47 19.448 21.545 3.560
371 HB2 ALA 47 HB2 ALA 47 21.054 22.213 3.850
372 HB3 ALA 47 HB3 ALA 47 20.120 22.742 2.451
373 H VAL 48 H VAL 48 20.590 18.365 2.898
374 HA VAL 48 HA VAL 48 18.349 18.013 1.019
375 HB VAL 48 HB VAL 48 20.208 15.937 2.186
376 HG11 VAL 48 HG11 VAL 48 17.824 15.669 0.366
377 HG12 VAL 48 HG12 VAL 48 19.036 14.405 0.580
378 HG13 VAL 48 HG13 VAL 48 18.061 14.934 1.951
379 HG21 VAL 48 HG21 VAL 48 20.690 15.653 -0.337
380 HG22 VAL 48 HG22 VAL 48 20.006 17.272 -0.488
381 HG23 VAL 48 HG23 VAL 48 21.428 17.006 0.521
382 H ILE 49 H ILE 49 16.386 17.705 1.832
383 HA ILE 49 HA ILE 49 16.153 16.848 4.643
384 HB ILE 49 HB ILE 49 14.306 18.684 3.114
385 HG12 ILE 49 HG12 ILE 49 15.215 19.986 5.386
386 HG13 ILE 49 HG13 ILE 49 16.642 19.135 4.805
387 HG21 ILE 49 HG21 ILE 49 14.100 17.332 5.758
388 HG22 ILE 49 HG22 ILE 49 13.436 18.956 5.579
389 HG23 ILE 49 HG23 ILE 49 12.854 17.647 4.551
390 HD11 ILE 49 HD11 ILE 49 15.404 20.339 2.571
391 HD12 ILE 49 HD12 ILE 49 15.496 21.546 3.854
392 HD13 ILE 49 HD13 ILE 49 16.958 20.724 3.309
393 H THR 50 H THR 50 15.420 14.839 4.767
394 HA THR 50 HA THR 50 13.660 13.809 2.663
395 HB THR 50 HB THR 50 15.101 12.318 4.866
396 HG1 THR 50 HG1 THR 50 16.265 11.548 2.872
397 HG21 THR 50 HG21 THR 50 14.328 10.707 2.627
398 HG22 THR 50 HG22 THR 50 12.911 11.540 3.267
399 HG23 THR 50 HG23 THR 50 13.892 10.527 4.326
400 H TYR 51 H TYR 51 11.546 13.690 2.993
401 HA TYR 51 HA TYR 51 10.543 13.245 5.713
402 HB2 TYR 51 HB2 TYR 51 9.092 15.046 5.701
403 HB3 TYR 51 HB3 TYR 51 10.481 15.726 4.861
404 HD1 TYR 51 HD1 TYR 51 10.407 15.343 2.213
405 HD2 TYR 51 HD2 TYR 51 7.012 15.402 4.777
406 HE1 TYR 51 HE1 TYR 51 8.975 15.907 0.294
407 HE2 TYR 51 HE2 TYR 51 5.570 15.965 2.865
408 HH TYR 51 HH TYR 51 6.758 15.912 -0.409
409 H GLN 52 H GLN 52 8.102 12.778 5.621
410 HA GLN 52 HA GLN 52 7.519 11.143 3.241
411 HB2 GLN 52 HB2 GLN 52 8.010 10.135 5.724
412 HB3 GLN 52 HB3 GLN 52 6.262 10.317 5.774
413 HG2 GLN 52 HG2 GLN 52 5.942 8.843 3.986
414 HG3 GLN 52 HG3 GLN 52 7.636 8.927 3.503
415 HE21 GLN 52 HE21 GLN 52 7.403 6.568 3.547
416 HE22 GLN 52 HE22 GLN 52 7.654 5.743 5.044
417 HA PRO 53 HA PRO 53 3.851 13.573 2.911
418 HB2 PRO 53 HB2 PRO 53 2.470 11.949 1.230
419 HB3 PRO 53 HB3 PRO 53 3.829 12.947 0.700
420 HG2 PRO 53 HG2 PRO 53 3.774 10.034 1.389
421 HG3 PRO 53 HG3 PRO 53 4.585 10.850 0.039
422 HD2 PRO 53 HD2 PRO 53 5.899 10.080 2.278
423 HD3 PRO 53 HD3 PRO 53 6.362 11.518 1.346
424 H TYR 54 H TYR 54 3.924 10.339 4.124
425 HA TYR 54 HA TYR 54 1.128 10.239 4.820
426 HB2 TYR 54 HB2 TYR 54 2.045 8.123 4.394
427 HB3 TYR 54 HB3 TYR 54 3.494 8.458 5.336
428 HD1 TYR 54 HD2 TYR 54 3.445 8.321 7.783
429 HD2 TYR 54 HD1 TYR 54 0.021 7.351 5.450
430 HE1 TYR 54 HE2 TYR 54 2.440 7.207 9.732
431 HE2 TYR 54 HE1 TYR 54 -0.994 6.235 7.393
432 HH TYR 54 HH TYR 54 0.756 5.478 10.198
433 H LEU 55 H LEU 55 3.912 11.626 6.154
434 HA LEU 55 HA LEU 55 2.658 11.770 8.815
435 HB2 LEU 55 HB2 LEU 55 5.549 12.297 8.174
436 HB3 LEU 55 HB3 LEU 55 4.816 12.094 9.764
437 HG LEU 55 HG LEU 55 4.798 9.840 7.792
438 HD11 LEU 55 HD11 LEU 55 7.115 10.911 9.307
439 HD12 LEU 55 HD12 LEU 55 7.060 10.095 7.745
440 HD13 LEU 55 HD13 LEU 55 6.908 9.161 9.233
441 HD21 LEU 55 HD21 LEU 55 4.663 8.488 9.769
442 HD22 LEU 55 HD22 LEU 55 3.443 9.757 9.875
443 HD23 LEU 55 HD23 LEU 55 4.937 9.890 10.803
444 H ILE 56 H ILE 56 5.046 13.737 7.048
445 HA ILE 56 HA ILE 56 3.388 16.102 7.642
446 HB ILE 56 HB ILE 56 5.527 16.009 8.934
447 HG12 ILE 56 HG12 ILE 56 5.278 18.250 6.915
448 HG13 ILE 56 HG13 ILE 56 4.418 18.143 8.447
449 HG21 ILE 56 HG21 ILE 56 6.659 15.045 6.706
450 HG22 ILE 56 HG22 ILE 56 7.082 16.748 6.534
451 HG23 ILE 56 HG23 ILE 56 7.572 15.859 7.976
452 HD11 ILE 56 HD11 ILE 56 6.085 19.480 9.137
453 HD12 ILE 56 HD12 ILE 56 6.943 17.951 9.326
454 HD13 ILE 56 HD13 ILE 56 7.194 18.930 7.881
455 H GLN 57 H GLN 57 3.511 17.853 6.112
456 HA GLN 57 HA GLN 57 3.737 16.873 3.384
457 HB2 GLN 57 HB2 GLN 57 2.289 19.018 4.752
458 HB3 GLN 57 HB3 GLN 57 2.972 19.514 3.209
459 HG2 GLN 57 HG2 GLN 57 1.489 18.332 2.039
460 HG3 GLN 57 HG3 GLN 57 1.623 16.933 3.103
461 HE21 GLN 57 HE21 GLN 57 -0.624 16.638 3.003
462 HE22 GLN 57 HE22 GLN 57 -1.707 17.646 3.895
463 HA PRO 58 HA PRO 58 7.444 18.911 2.229
464 HB2 PRO 58 HB2 PRO 58 6.830 20.117 -0.124
465 HB3 PRO 58 HB3 PRO 58 6.997 18.365 0.042
466 HG2 PRO 58 HG2 PRO 58 4.513 20.036 -0.003
467 HG3 PRO 58 HG3 PRO 58 4.835 18.488 -0.806
468 HD2 PRO 58 HD2 PRO 58 3.419 18.668 1.495
469 HD3 PRO 58 HD3 PRO 58 4.441 17.268 1.110
470 H GLU 59 H GLU 59 4.661 21.077 1.691
471 HA GLU 59 HA GLU 59 6.097 23.484 1.837
472 HB2 GLU 59 HB2 GLU 59 3.236 22.704 2.066
473 HB3 GLU 59 HB3 GLU 59 3.688 24.298 2.653
474 HG2 GLU 59 HG2 GLU 59 4.659 24.814 0.460
475 HG3 GLU 59 HG3 GLU 59 4.152 23.230 -0.122
476 H ASP 60 H ASP 60 4.659 21.462 4.318
477 HA ASP 60 HA ASP 60 4.900 23.321 6.448
478 HB2 ASP 60 HB2 ASP 60 4.029 20.594 6.101
479 HB3 ASP 60 HB3 ASP 60 5.058 20.723 7.525
480 H LEU 61 H LEU 61 6.984 20.734 5.233
481 HA LEU 61 HA LEU 61 8.934 20.920 7.274
482 HB2 LEU 61 HB2 LEU 61 10.022 19.293 6.153
483 HB3 LEU 61 HB3 LEU 61 8.470 19.153 5.332
484 HG LEU 61 HG LEU 61 9.596 20.875 3.669
485 HD11 LEU 61 HD11 LEU 61 12.072 19.616 3.694
486 HD12 LEU 61 HD12 LEU 61 11.772 20.046 5.378
487 HD13 LEU 61 HD13 LEU 61 11.729 21.291 4.129
488 HD21 LEU 61 HD21 LEU 61 9.712 19.142 2.219
489 HD22 LEU 61 HD22 LEU 61 8.892 18.296 3.532
490 HD23 LEU 61 HD23 LEU 61 10.636 18.129 3.328
491 H ARG 62 H ARG 62 8.287 22.802 4.457
492 HA ARG 62 HA ARG 62 10.783 23.868 3.869
493 HB2 ARG 62 HB2 ARG 62 8.197 24.300 3.011
494 HB3 ARG 62 HB3 ARG 62 8.621 25.836 3.756
495 HG2 ARG 62 HG2 ARG 62 10.783 24.926 2.111
496 HG3 ARG 62 HG3 ARG 62 9.278 24.929 1.190
497 HD2 ARG 62 HD2 ARG 62 10.519 27.074 1.072
498 HD3 ARG 62 HD3 ARG 62 8.890 27.237 1.727
499 HE ARG 62 HE ARG 62 9.790 27.856 3.751
500 HH11 ARG 62 HH11 ARG 62 12.294 26.603 1.683
501 HH12 ARG 62 HH12 ARG 62 13.585 27.108 2.722
502 HH21 ARG 62 HH21 ARG 62 11.481 28.527 5.127
503 HH22 ARG 62 HH22 ARG 62 13.122 28.202 4.680
504 H ASP 63 H ASP 63 8.415 24.889 6.295
505 HA ASP 63 HA ASP 63 9.830 27.177 7.169
506 HB2 ASP 63 HB2 ASP 63 7.460 26.895 7.653
507 HB3 ASP 63 HB3 ASP 63 7.803 25.463 8.619
508 H HIS 64 H HIS 64 9.873 23.797 8.165
509 HA HIS 64 HA HIS 64 11.362 24.027 10.508
510 HB2 HIS 64 HB2 HIS 64 10.475 21.907 10.162
511 HB3 HIS 64 HB3 HIS 64 11.005 21.848 8.483
512 HD1 HIS 64 HD1 HIS 64 13.124 22.445 11.578
513 HD2 HIS 64 HD2 HIS 64 12.678 19.708 8.485
514 HE1 HIS 64 HE1 HIS 64 15.016 20.811 11.848
515 H VAL 65 H VAL 65 12.419 23.835 7.144
516 HA VAL 65 HA VAL 65 15.153 23.514 7.533
517 HB VAL 65 HB VAL 65 13.873 25.173 5.358
518 HG11 VAL 65 HG11 VAL 65 16.308 25.396 5.526
519 HG12 VAL 65 HG12 VAL 65 16.472 23.643 5.413
520 HG13 VAL 65 HG13 VAL 65 15.830 24.560 4.049
521 HG21 VAL 65 HG21 VAL 65 12.753 23.089 5.326
522 HG22 VAL 65 HG22 VAL 65 13.982 23.002 4.065
523 HG23 VAL 65 HG23 VAL 65 14.248 22.198 5.611
524 H ASN 66 H ASN 66 13.250 26.508 7.341
525 HA ASN 66 HA ASN 66 15.450 28.260 7.654
526 HB2 ASN 66 HB2 ASN 66 13.553 29.277 6.749
527 HB3 ASN 66 HB3 ASN 66 12.477 28.552 7.940
528 HD21 ASN 66 HD21 ASN 66 15.423 30.528 8.084
529 HD22 ASN 66 HD22 ASN 66 14.775 31.717 9.157
530 H ASP 67 H ASP 67 13.317 26.641 9.920
531 HA ASP 67 HA ASP 67 13.961 28.088 12.234
532 HB2 ASP 67 HB2 ASP 67 12.143 26.262 11.819
533 HB3 ASP 67 HB3 ASP 67 13.406 25.140 12.320
534 H MET 68 H MET 68 15.755 25.764 10.432
535 HA MET 68 HA MET 68 17.471 24.817 12.461
536 HB2 MET 68 HB2 MET 68 18.175 25.144 9.543
537 HB3 MET 68 HB3 MET 68 18.872 24.007 10.689
538 HG2 MET 68 HG2 MET 68 16.662 22.904 10.864
539 HG3 MET 68 HG3 MET 68 16.066 23.986 9.607
540 HE1 MET 68 HE1 MET 68 17.451 24.130 7.154
541 HE2 MET 68 HE2 MET 68 18.979 24.125 8.034
542 HE3 MET 68 HE3 MET 68 18.704 22.961 6.737
543 H GLY 69 H GLY 69 17.188 27.872 11.041
544 HA2 GLY 69 HA2 GLY 69 18.346 29.796 11.685
545 HA3 GLY 69 HA3 GLY 69 19.564 28.782 12.443
546 H PHE 70 H PHE 70 18.582 28.154 9.176
547 HA PHE 70 HA PHE 70 21.161 29.232 8.243
548 HB2 PHE 70 HB2 PHE 70 19.622 26.801 7.324
549 HB3 PHE 70 HB3 PHE 70 20.982 27.476 6.432
550 HD1 PHE 70 HD1 PHE 70 20.044 26.116 9.760
551 HD2 PHE 70 HD2 PHE 70 23.148 26.819 6.934
552 HE1 PHE 70 HE1 PHE 70 21.596 24.800 11.142
553 HE2 PHE 70 HE2 PHE 70 24.705 25.503 8.311
554 HZ PHE 70 HZ PHE 70 23.929 24.491 10.418
555 H GLU 71 H GLU 71 21.001 29.348 5.652
556 HA GLU 71 HA GLU 71 18.690 31.088 5.125
557 HB2 GLU 71 HB2 GLU 71 21.376 31.615 4.853
558 HB3 GLU 71 HB3 GLU 71 20.907 31.190 3.213
559 HG2 GLU 71 HG2 GLU 71 20.609 33.478 3.269
560 HG3 GLU 71 HG3 GLU 71 18.983 32.858 3.553
561 H ALA 72 H ALA 72 19.366 28.020 4.707
562 HA ALA 72 HA ALA 72 19.364 27.269 2.100
563 HB1 ALA 72 HB1 ALA 72 17.541 25.515 3.038
564 HB2 ALA 72 HB2 ALA 72 19.271 25.407 3.364
565 HB3 ALA 72 HB3 ALA 72 18.194 26.139 4.553
566 H ALA 73 H ALA 73 18.004 27.266 0.386
567 HA ALA 73 HA ALA 73 15.240 28.165 0.775
568 HB1 ALA 73 HB1 ALA 73 17.162 29.899 -0.107
569 HB2 ALA 73 HB2 ALA 73 16.479 29.295 -1.617
570 HB3 ALA 73 HB3 ALA 73 15.432 30.049 -0.415
571 H ILE 74 H ILE 74 13.777 27.459 -0.795
572 HA ILE 74 HA ILE 74 14.172 24.944 -1.877
573 HB ILE 74 HB ILE 74 12.251 27.045 -2.888
574 HG12 ILE 74 HG12 ILE 74 11.862 24.897 -0.792
575 HG13 ILE 74 HG13 ILE 74 12.055 26.614 -0.460
576 HG21 ILE 74 HG21 ILE 74 11.210 24.422 -3.082
577 HG22 ILE 74 HG22 ILE 74 11.604 25.542 -4.385
578 HG23 ILE 74 HG23 ILE 74 12.821 24.409 -3.798
579 HD11 ILE 74 HD11 ILE 74 9.907 27.010 -0.836
580 HD12 ILE 74 HD12 ILE 74 9.930 26.115 -2.356
581 HD13 ILE 74 HD13 ILE 74 9.682 25.261 -0.833
582 H LYS 75 H LYS 75 15.338 24.230 -3.524
583 HA LYS 75 HA LYS 75 16.787 25.924 -5.247
584 HB2 LYS 75 HB2 LYS 75 17.485 23.626 -4.650
585 HB3 LYS 75 HB3 LYS 75 16.147 22.989 -5.597
586 HG2 LYS 75 HG2 LYS 75 18.153 22.819 -6.886
587 HG3 LYS 75 HG3 LYS 75 17.124 24.058 -7.608
588 HD2 LYS 75 HD2 LYS 75 18.443 25.800 -6.522
589 HD3 LYS 75 HD3 LYS 75 19.456 24.571 -5.761
590 HE2 LYS 75 HE2 LYS 75 19.141 24.878 -8.742
591 HE3 LYS 75 HE3 LYS 75 20.435 25.631 -7.811
592 HZ1 LYS 75 HZ1 LYS 75 20.344 23.041 -8.840
593 HZ2 LYS 75 HZ2 LYS 75 20.315 22.906 -7.155
594 HZ3 LYS 75 HZ3 LYS 75 21.569 23.750 -7.913
595 H SER 76 H SER 76 14.023 23.777 -5.934
596 HA SER 76 HA SER 76 13.587 25.227 -8.445
597 HB2 SER 76 HB2 SER 76 12.525 23.341 -9.276
598 HB3 SER 76 HB3 SER 76 13.698 22.608 -8.181
599 HG SER 76 HG SER 76 11.272 22.046 -8.112
Start of MODEL 8
1 H1 ALA 1 H ALA 1 2.235 5.150 -8.222
2 HA ALA 1 HA ALA 1 2.768 5.750 -5.403
3 HB1 ALA 1 HB1 ALA 1 0.494 4.466 -6.039
4 HB2 ALA 1 HB2 ALA 1 1.594 3.093 -5.914
5 HB3 ALA 1 HB3 ALA 1 1.387 4.185 -4.544
6 H GLY 2 H GLY 2 3.867 3.691 -4.387
7 HA2 GLY 2 HA2 GLY 2 5.310 1.887 -5.949
8 HA3 GLY 2 HA3 GLY 2 6.307 3.323 -5.769
9 H HIS 3 H HIS 3 7.433 1.181 -4.795
10 HA HIS 3 HA HIS 3 6.783 0.279 -2.252
11 HB2 HIS 3 HB2 HIS 3 9.431 0.565 -3.660
12 HB3 HIS 3 HB3 HIS 3 9.306 -0.136 -2.049
13 HD1 HIS 3 HD1 HIS 3 6.438 -1.506 -3.033
14 HD2 HIS 3 HD2 HIS 3 10.269 -2.012 -4.559
15 HE1 HIS 3 HE1 HIS 3 6.406 -3.729 -4.208
16 H MET 4 H MET 4 9.421 2.590 -2.900
17 HA MET 4 HA MET 4 9.386 3.543 -0.204
18 HB2 MET 4 HB2 MET 4 10.841 4.435 -2.688
19 HB3 MET 4 HB3 MET 4 11.011 5.268 -1.149
20 HG2 MET 4 HG2 MET 4 11.658 2.989 -0.194
21 HG3 MET 4 HG3 MET 4 11.843 2.484 -1.872
22 HE1 MET 4 HE1 MET 4 15.448 3.085 -0.206
23 HE2 MET 4 HE2 MET 4 14.100 3.207 0.924
24 HE3 MET 4 HE3 MET 4 14.115 1.934 -0.297
25 H GLN 5 H GLN 5 7.720 4.723 0.495
26 HA GLN 5 HA GLN 5 6.373 6.579 -1.292
27 HB2 GLN 5 HB2 GLN 5 5.797 5.429 1.402
28 HB3 GLN 5 HB3 GLN 5 5.029 6.946 0.954
29 HG2 GLN 5 HG2 GLN 5 4.863 4.409 -0.655
30 HG3 GLN 5 HG3 GLN 5 3.646 4.949 0.501
31 HE21 GLN 5 HE21 GLN 5 2.717 7.113 0.092
32 HE22 GLN 5 HE22 GLN 5 2.446 7.582 -1.548
33 H GLU 6 H GLU 6 8.837 6.622 1.056
34 HA GLU 6 HA GLU 6 8.473 9.259 2.052
35 HB2 GLU 6 HB2 GLU 6 11.130 7.859 1.880
36 HB3 GLU 6 HB3 GLU 6 10.574 9.008 3.089
37 HG2 GLU 6 HG2 GLU 6 10.106 7.268 4.373
38 HG3 GLU 6 HG3 GLU 6 8.771 6.920 3.276
39 H ALA 7 H ALA 7 9.299 11.189 1.382
40 HA ALA 7 HA ALA 7 10.819 11.195 -1.142
41 HB1 ALA 7 HB1 ALA 7 8.725 13.237 -0.430
42 HB2 ALA 7 HB2 ALA 7 9.555 13.026 -1.972
43 HB3 ALA 7 HB3 ALA 7 8.399 11.814 -1.420
44 H VAL 8 H VAL 8 12.521 12.571 -1.267
45 HA VAL 8 HA VAL 8 12.959 14.398 1.004
46 HB VAL 8 HB VAL 8 14.457 12.588 1.373
47 HG11 VAL 8 HG11 VAL 8 16.129 11.967 -0.447
48 HG12 VAL 8 HG12 VAL 8 14.467 11.412 -0.661
49 HG13 VAL 8 HG13 VAL 8 15.054 12.811 -1.562
50 HG21 VAL 8 HG21 VAL 8 15.301 15.110 1.208
51 HG22 VAL 8 HG22 VAL 8 16.374 13.779 1.643
52 HG23 VAL 8 HG23 VAL 8 16.356 14.393 -0.010
53 H VAL 9 H VAL 9 13.815 16.387 0.551
54 HA VAL 9 HA VAL 9 14.336 16.989 -2.288
55 HB VAL 9 HB VAL 9 12.190 17.943 -1.675
56 HG11 VAL 9 HG11 VAL 9 13.722 19.196 0.594
57 HG12 VAL 9 HG12 VAL 9 12.126 19.745 0.080
58 HG13 VAL 9 HG13 VAL 9 12.341 18.104 0.690
59 HG21 VAL 9 HG21 VAL 9 14.076 20.268 -1.670
60 HG22 VAL 9 HG22 VAL 9 13.967 19.204 -3.072
61 HG23 VAL 9 HG23 VAL 9 12.540 20.078 -2.517
62 H LYS 10 H LYS 10 15.983 18.426 -2.751
63 HA LYS 10 HA LYS 10 17.772 19.040 -0.495
64 HB2 LYS 10 HB2 LYS 10 19.587 19.093 -2.159
65 HB3 LYS 10 HB3 LYS 10 18.765 17.538 -2.133
66 HG2 LYS 10 HG2 LYS 10 17.372 18.900 -4.053
67 HG3 LYS 10 HG3 LYS 10 19.020 19.490 -4.283
68 HD2 LYS 10 HD2 LYS 10 18.652 16.568 -3.915
69 HD3 LYS 10 HD3 LYS 10 18.120 17.268 -5.446
70 HE2 LYS 10 HE2 LYS 10 20.315 16.717 -5.906
71 HE3 LYS 10 HE3 LYS 10 20.456 18.409 -5.431
72 HZ1 LYS 10 HZ1 LYS 10 20.938 16.087 -3.643
73 HZ2 LYS 10 HZ2 LYS 10 21.126 17.716 -3.231
74 HZ3 LYS 10 HZ3 LYS 10 22.144 17.013 -4.384
75 H LEU 11 H LEU 11 18.254 21.098 -0.032
76 HA LEU 11 HA LEU 11 17.501 23.171 -1.986
77 HB2 LEU 11 HB2 LEU 11 17.291 23.406 1.010
78 HB3 LEU 11 HB3 LEU 11 16.783 24.598 -0.185
79 HG LEU 11 HG LEU 11 15.217 22.599 -0.960
80 HD11 LEU 11 HD11 LEU 11 15.626 20.852 0.434
81 HD12 LEU 11 HD12 LEU 11 14.394 21.679 1.387
82 HD13 LEU 11 HD13 LEU 11 16.100 21.889 1.781
83 HD21 LEU 11 HD21 LEU 11 14.032 24.460 -0.460
84 HD22 LEU 11 HD22 LEU 11 14.917 24.758 1.036
85 HD23 LEU 11 HD23 LEU 11 13.642 23.540 0.993
86 H ARG 12 H ARG 12 18.881 24.888 -2.236
87 HA ARG 12 HA ARG 12 21.598 24.478 -1.478
88 HB2 ARG 12 HB2 ARG 12 20.518 25.712 -3.559
89 HB3 ARG 12 HB3 ARG 12 20.653 27.115 -2.507
90 HG2 ARG 12 HG2 ARG 12 22.979 27.000 -2.449
91 HG3 ARG 12 HG3 ARG 12 23.001 25.328 -3.014
92 HD2 ARG 12 HD2 ARG 12 23.655 26.551 -4.886
93 HD3 ARG 12 HD3 ARG 12 21.939 26.255 -5.161
94 HE ARG 12 HE ARG 12 21.993 28.664 -3.903
95 HH11 ARG 12 HH11 ARG 12 23.545 27.365 -6.735
96 HH12 ARG 12 HH12 ARG 12 23.621 28.890 -7.553
97 HH21 ARG 12 HH21 ARG 12 22.088 30.678 -4.969
98 HH22 ARG 12 HH22 ARG 12 22.793 30.774 -6.547
99 H VAL 13 H VAL 13 22.744 25.316 0.164
100 HA VAL 13 HA VAL 13 21.307 26.919 2.138
101 HB VAL 13 HB VAL 13 24.079 25.807 2.483
102 HG11 VAL 13 HG11 VAL 13 23.893 26.543 4.574
103 HG12 VAL 13 HG12 VAL 13 22.424 27.384 4.075
104 HG13 VAL 13 HG13 VAL 13 22.322 25.767 4.771
105 HG21 VAL 13 HG21 VAL 13 21.461 24.380 2.558
106 HG22 VAL 13 HG22 VAL 13 23.027 23.828 1.961
107 HG23 VAL 13 HG23 VAL 13 22.727 23.919 3.697
108 H GLU 14 H GLU 14 21.745 28.998 2.562
109 HA GLU 14 HA GLU 14 23.921 30.261 1.043
110 HB2 GLU 14 HB2 GLU 14 21.366 30.957 0.964
111 HB3 GLU 14 HB3 GLU 14 21.801 31.854 2.412
112 HG2 GLU 14 HG2 GLU 14 23.774 32.704 0.905
113 HG3 GLU 14 HG3 GLU 14 22.681 32.245 -0.400
114 H GLY 15 H GLY 15 23.296 29.121 4.072
115 HA2 GLY 15 HA2 GLY 15 24.936 31.208 5.365
116 HA3 GLY 15 HA3 GLY 15 23.791 30.178 6.212
117 H MET 16 H MET 16 25.050 28.059 4.196
118 HA MET 16 HA MET 16 26.519 26.635 6.046
119 HB2 MET 16 HB2 MET 16 26.063 26.518 3.174
120 HB3 MET 16 HB3 MET 16 27.668 25.946 3.610
121 HG2 MET 16 HG2 MET 16 26.172 24.673 5.460
122 HG3 MET 16 HG3 MET 16 25.032 24.761 4.119
123 HE1 MET 16 HE1 MET 16 27.954 21.610 4.789
124 HE2 MET 16 HE2 MET 16 28.668 23.175 5.180
125 HE3 MET 16 HE3 MET 16 27.112 22.716 5.874
126 H THR 17 H THR 17 28.671 26.441 6.570
127 HA THR 17 HA THR 17 30.607 28.204 5.279
128 HB THR 17 HB THR 17 29.618 29.474 7.204
129 HG1 THR 17 HG1 THR 17 31.574 30.300 7.660
130 HG21 THR 17 HG21 THR 17 31.128 28.146 9.262
131 HG22 THR 17 HG22 THR 17 29.963 27.032 8.544
132 HG23 THR 17 HG23 THR 17 29.415 28.562 9.228
133 H CYS 18 H CYS 18 32.824 27.871 6.547
134 HA CYS 18 HA CYS 18 33.715 25.319 6.021
135 HB2 CYS 18 HB2 CYS 18 35.252 27.176 6.305
136 HB3 CYS 18 HB3 CYS 18 34.812 27.321 8.003
137 HG CYS 18 HG CYS 18 37.041 26.096 8.531
138 H GLN 19 H GLN 19 32.261 26.579 8.945
139 HA GLN 19 HA GLN 19 32.947 24.626 10.780
140 HB2 GLN 19 HB2 GLN 19 30.383 26.189 10.478
141 HB3 GLN 19 HB3 GLN 19 30.733 25.168 11.866
142 HG2 GLN 19 HG2 GLN 19 32.863 26.573 12.110
143 HG3 GLN 19 HG3 GLN 19 32.070 27.707 11.018
144 HE21 GLN 19 HE21 GLN 19 32.527 26.862 14.189
145 HE22 GLN 19 HE22 GLN 19 31.207 27.721 14.898
146 H SER 20 H SER 20 31.284 23.024 11.729
147 HA SER 20 HA SER 20 30.276 21.384 9.502
148 HB2 SER 20 HB2 SER 20 30.413 19.515 11.269
149 HB3 SER 20 HB3 SER 20 31.932 20.132 10.620
150 HG SER 20 HG SER 20 31.091 20.099 13.156
151 H CYS 21 H CYS 21 28.463 23.122 9.878
152 HA CYS 21 HA CYS 21 26.724 22.883 12.069
153 HB2 CYS 21 HB2 CYS 21 26.008 23.692 9.244
154 HB3 CYS 21 HB3 CYS 21 25.103 24.074 10.704
155 HG CYS 21 HG CYS 21 28.230 25.249 9.953
156 H VAL 22 H VAL 22 27.289 20.808 9.425
157 HA VAL 22 HA VAL 22 24.857 19.615 8.925
158 HB VAL 22 HB VAL 22 27.508 18.182 9.155
159 HG11 VAL 22 HG11 VAL 22 24.845 17.435 8.044
160 HG12 VAL 22 HG12 VAL 22 26.304 16.827 7.259
161 HG13 VAL 22 HG13 VAL 22 25.998 16.463 8.958
162 HG21 VAL 22 HG21 VAL 22 27.034 18.608 6.491
163 HG22 VAL 22 HG22 VAL 22 26.467 20.110 7.222
164 HG23 VAL 22 HG23 VAL 22 28.120 19.562 7.500
165 H SER 23 H SER 23 27.145 18.883 11.538
166 HA SER 23 HA SER 23 25.735 16.723 12.645
167 HB2 SER 23 HB2 SER 23 28.024 18.340 13.343
168 HB3 SER 23 HB3 SER 23 27.037 18.029 14.770
169 HG SER 23 HG SER 23 27.082 15.753 13.983
170 H SER 24 H SER 24 25.488 20.196 13.157
171 HA SER 24 HA SER 24 23.754 20.082 15.393
172 HB2 SER 24 HB2 SER 24 24.903 22.130 15.034
173 HB3 SER 24 HB3 SER 24 24.346 22.237 13.364
174 HG SER 24 HG SER 24 23.026 22.863 15.730
175 H ILE 25 H ILE 25 23.189 20.329 11.910
176 HA ILE 25 HA ILE 25 20.385 20.646 12.059
177 HB ILE 25 HB ILE 25 21.992 19.444 9.802
178 HG12 ILE 25 HG12 ILE 25 21.096 22.311 10.121
179 HG13 ILE 25 HG13 ILE 25 22.699 21.748 10.580
180 HG21 ILE 25 HG21 ILE 25 19.270 20.741 9.793
181 HG22 ILE 25 HG22 ILE 25 20.126 20.102 8.391
182 HG23 ILE 25 HG23 ILE 25 19.582 19.010 9.664
183 HD11 ILE 25 HD11 ILE 25 21.598 21.403 7.811
184 HD12 ILE 25 HD12 ILE 25 22.490 22.838 8.319
185 HD13 ILE 25 HD13 ILE 25 23.270 21.257 8.352
186 H GLU 26 H GLU 26 22.472 17.810 11.856
187 HA GLU 26 HA GLU 26 20.506 15.877 11.378
188 HB2 GLU 26 HB2 GLU 26 23.270 15.904 11.894
189 HB3 GLU 26 HB3 GLU 26 22.567 14.861 13.122
190 HG2 GLU 26 HG2 GLU 26 21.296 13.893 10.994
191 HG3 GLU 26 HG3 GLU 26 22.746 14.498 10.194
192 H GLY 27 H GLY 27 21.643 17.340 14.379
193 HA2 GLY 27 HA2 GLY 27 20.324 15.615 16.172
194 HA3 GLY 27 HA3 GLY 27 20.822 17.263 16.521
195 H LYS 28 H LYS 28 19.199 18.407 14.377
196 HA LYS 28 HA LYS 28 16.845 18.907 15.828
197 HB2 LYS 28 HB2 LYS 28 17.605 19.420 12.956
198 HB3 LYS 28 HB3 LYS 28 16.054 19.917 13.620
199 HG2 LYS 28 HG2 LYS 28 18.521 20.733 15.059
200 HG3 LYS 28 HG3 LYS 28 18.118 21.550 13.547
201 HD2 LYS 28 HD2 LYS 28 15.878 22.059 14.460
202 HD3 LYS 28 HD3 LYS 28 16.356 21.313 15.987
203 HE2 LYS 28 HE2 LYS 28 17.667 23.705 14.696
204 HE3 LYS 28 HE3 LYS 28 16.564 23.750 16.070
205 HZ1 LYS 28 HZ1 LYS 28 18.585 21.946 16.695
206 HZ2 LYS 28 HZ2 LYS 28 18.300 23.462 17.389
207 HZ3 LYS 28 HZ3 LYS 28 19.345 23.320 16.065
208 H VAL 29 H VAL 29 17.469 16.826 13.025
209 HA VAL 29 HA VAL 29 14.887 16.008 12.458
210 HB VAL 29 HB VAL 29 17.478 14.478 12.257
211 HG11 VAL 29 HG11 VAL 29 16.281 12.628 11.942
212 HG12 VAL 29 HG12 VAL 29 14.763 13.528 11.968
213 HG13 VAL 29 HG13 VAL 29 15.669 13.367 10.463
214 HG21 VAL 29 HG21 VAL 29 17.271 16.484 10.856
215 HG22 VAL 29 HG22 VAL 29 17.316 15.010 9.889
216 HG23 VAL 29 HG23 VAL 29 15.783 15.837 10.163
217 H ARG 30 H ARG 30 17.131 14.775 14.895
218 HA ARG 30 HA ARG 30 15.766 12.514 15.720
219 HB2 ARG 30 HB2 ARG 30 18.034 13.275 16.496
220 HB3 ARG 30 HB3 ARG 30 17.222 14.420 17.555
221 HG2 ARG 30 HG2 ARG 30 16.075 12.510 18.649
222 HG3 ARG 30 HG3 ARG 30 17.047 11.418 17.660
223 HD2 ARG 30 HD2 ARG 30 18.395 13.523 19.293
224 HD3 ARG 30 HD3 ARG 30 17.812 12.057 20.079
225 HE ARG 30 HE ARG 30 20.066 12.298 18.307
226 HH11 ARG 30 HH11 ARG 30 17.685 10.142 19.650
227 HH12 ARG 30 HH12 ARG 30 18.642 8.720 19.402
228 HH21 ARG 30 HH21 ARG 30 21.336 10.433 17.974
229 HH22 ARG 30 HH22 ARG 30 20.719 8.886 18.449
230 H LYS 31 H LYS 31 15.012 15.857 16.240
231 HA LYS 31 HA LYS 31 12.999 15.219 18.256
232 HB2 LYS 31 HB2 LYS 31 13.844 17.887 17.110
233 HB3 LYS 31 HB3 LYS 31 12.711 17.657 18.435
234 HG2 LYS 31 HG2 LYS 31 15.499 16.586 18.606
235 HG3 LYS 31 HG3 LYS 31 15.148 18.277 18.973
236 HD2 LYS 31 HD2 LYS 31 13.247 17.155 20.455
237 HD3 LYS 31 HD3 LYS 31 14.388 15.808 20.441
238 HE2 LYS 31 HE2 LYS 31 16.110 17.720 21.030
239 HE3 LYS 31 HE3 LYS 31 14.660 18.527 21.625
240 HZ1 LYS 31 HZ1 LYS 31 15.874 17.176 23.308
241 HZ2 LYS 31 HZ2 LYS 31 15.455 15.788 22.438
242 HZ3 LYS 31 HZ3 LYS 31 14.246 16.753 23.123
243 H LEU 32 H LEU 32 13.280 15.741 14.892
244 HA LEU 32 HA LEU 32 10.584 16.641 14.461
245 HB2 LEU 32 HB2 LEU 32 12.925 15.968 12.793
246 HB3 LEU 32 HB3 LEU 32 11.346 15.752 12.040
247 HG LEU 32 HG LEU 32 12.404 17.940 11.547
248 HD11 LEU 32 HD11 LEU 32 10.098 18.824 13.082
249 HD12 LEU 32 HD12 LEU 32 9.780 17.371 12.136
250 HD13 LEU 32 HD13 LEU 32 10.371 18.828 11.339
251 HD21 LEU 32 HD21 LEU 32 12.384 19.643 13.356
252 HD22 LEU 32 HD22 LEU 32 13.568 18.359 13.603
253 HD23 LEU 32 HD23 LEU 32 12.056 18.353 14.512
254 H GLN 33 H GLN 33 8.819 15.466 13.875
255 HA GLN 33 HA GLN 33 8.917 12.625 14.404
256 HB2 GLN 33 HB2 GLN 33 7.071 14.023 15.264
257 HB3 GLN 33 HB3 GLN 33 6.581 14.373 13.612
258 HG2 GLN 33 HG2 GLN 33 5.834 12.203 13.241
259 HG3 GLN 33 HG3 GLN 33 6.750 11.555 14.601
260 HE21 GLN 33 HE21 GLN 33 4.383 10.676 14.707
261 HE22 GLN 33 HE22 GLN 33 3.347 11.540 15.785
262 H GLY 34 H GLY 34 7.286 14.412 11.784
263 HA2 GLY 34 HA2 GLY 34 7.091 12.315 9.996
264 HA3 GLY 34 HA3 GLY 34 7.171 14.006 9.525
265 H VAL 35 H VAL 35 9.587 14.863 9.873
266 HA VAL 35 HA VAL 35 11.127 13.895 7.834
267 HB VAL 35 HB VAL 35 11.436 15.882 9.733
268 HG11 VAL 35 HG11 VAL 35 13.653 15.620 10.664
269 HG12 VAL 35 HG12 VAL 35 12.628 14.281 11.184
270 HG13 VAL 35 HG13 VAL 35 13.816 14.038 9.903
271 HG21 VAL 35 HG21 VAL 35 12.162 15.486 7.192
272 HG22 VAL 35 HG22 VAL 35 12.805 16.802 8.174
273 HG23 VAL 35 HG23 VAL 35 13.740 15.321 7.962
274 H VAL 36 H VAL 36 12.575 12.294 7.520
275 HA VAL 36 HA VAL 36 12.822 10.290 9.630
276 HB VAL 36 HB VAL 36 13.895 9.985 6.841
277 HG11 VAL 36 HG11 VAL 36 12.925 7.588 7.539
278 HG12 VAL 36 HG12 VAL 36 14.563 8.115 7.932
279 HG13 VAL 36 HG13 VAL 36 13.284 8.232 9.141
280 HG21 VAL 36 HG21 VAL 36 11.044 9.737 7.761
281 HG22 VAL 36 HG22 VAL 36 11.680 10.652 6.394
282 HG23 VAL 36 HG23 VAL 36 11.655 8.889 6.340
283 H ARG 37 H ARG 37 14.895 12.143 7.415
284 HA ARG 37 HA ARG 37 16.947 12.408 9.378
285 HB2 ARG 37 HB2 ARG 37 17.033 10.064 7.805
286 HB3 ARG 37 HB3 ARG 37 18.286 11.129 7.180
287 HG2 ARG 37 HG2 ARG 37 19.190 11.352 9.466
288 HG3 ARG 37 HG3 ARG 37 17.978 10.198 10.026
289 HD2 ARG 37 HD2 ARG 37 19.497 9.261 7.718
290 HD3 ARG 37 HD3 ARG 37 20.500 9.577 9.133
291 HE ARG 37 HE ARG 37 18.173 8.048 9.769
292 HH11 ARG 37 HH11 ARG 37 21.399 7.859 8.475
293 HH12 ARG 37 HH12 ARG 37 21.618 6.197 8.915
294 HH21 ARG 37 HH21 ARG 37 18.449 5.861 10.354
295 HH22 ARG 37 HH22 ARG 37 19.939 5.062 9.983
296 H VAL 38 H VAL 38 18.764 13.692 8.604
297 HA VAL 38 HA VAL 38 18.161 15.159 6.120
298 HB VAL 38 HB VAL 38 17.546 16.532 8.059
299 HG11 VAL 38 HG11 VAL 38 18.961 17.065 9.802
300 HG12 VAL 38 HG12 VAL 38 19.404 15.387 9.483
301 HG13 VAL 38 HG13 VAL 38 20.414 16.698 8.874
302 HG21 VAL 38 HG21 VAL 38 19.064 18.488 7.539
303 HG22 VAL 38 HG22 VAL 38 19.950 17.400 6.471
304 HG23 VAL 38 HG23 VAL 38 18.250 17.752 6.158
305 H LYS 39 H LYS 39 19.779 15.191 4.711
306 HA LYS 39 HA LYS 39 22.499 14.614 5.689
307 HB2 LYS 39 HB2 LYS 39 21.374 12.906 4.173
308 HB3 LYS 39 HB3 LYS 39 21.489 14.107 2.892
309 HG2 LYS 39 HG2 LYS 39 23.775 13.938 2.749
310 HG3 LYS 39 HG3 LYS 39 23.943 13.358 4.407
311 HD2 LYS 39 HD2 LYS 39 22.491 11.684 2.406
312 HD3 LYS 39 HD3 LYS 39 24.256 11.718 2.391
313 HE2 LYS 39 HE2 LYS 39 23.895 11.323 4.994
314 HE3 LYS 39 HE3 LYS 39 22.385 10.618 4.417
315 HZ1 LYS 39 HZ1 LYS 39 23.451 8.830 3.682
316 HZ2 LYS 39 HZ2 LYS 39 24.814 9.373 4.524
317 HZ3 LYS 39 HZ3 LYS 39 24.630 9.745 2.884
318 H VAL 40 H VAL 40 23.927 16.200 5.496
319 HA VAL 40 HA VAL 40 23.384 18.351 3.555
320 HB VAL 40 HB VAL 40 24.938 18.495 6.142
321 HG11 VAL 40 HG11 VAL 40 24.426 20.516 3.979
322 HG12 VAL 40 HG12 VAL 40 24.845 20.986 5.628
323 HG13 VAL 40 HG13 VAL 40 25.967 20.016 4.673
324 HG21 VAL 40 HG21 VAL 40 23.084 19.216 7.165
325 HG22 VAL 40 HG22 VAL 40 22.618 20.231 5.801
326 HG23 VAL 40 HG23 VAL 40 22.215 18.515 5.801
327 H SER 41 H SER 41 24.874 18.831 2.051
328 HA SER 41 HA SER 41 27.413 17.341 2.142
329 HB2 SER 41 HB2 SER 41 25.802 16.829 0.258
330 HB3 SER 41 HB3 SER 41 26.081 18.470 -0.326
331 HG SER 41 HG SER 41 27.584 17.347 -1.384
332 H LEU 42 H LEU 42 28.951 18.649 2.907
333 HA LEU 42 HA LEU 42 28.928 21.472 2.634
334 HB2 LEU 42 HB2 LEU 42 30.930 21.471 3.820
335 HB3 LEU 42 HB3 LEU 42 30.074 20.052 4.419
336 HG LEU 42 HG LEU 42 32.216 19.908 2.306
337 HD11 LEU 42 HD11 LEU 42 32.975 20.883 4.531
338 HD12 LEU 42 HD12 LEU 42 33.825 19.452 3.949
339 HD13 LEU 42 HD13 LEU 42 32.611 19.300 5.220
340 HD21 LEU 42 HD21 LEU 42 31.189 17.892 2.160
341 HD22 LEU 42 HD22 LEU 42 30.546 17.974 3.800
342 HD23 LEU 42 HD23 LEU 42 32.235 17.540 3.536
343 H SER 43 H SER 43 30.280 18.873 0.749
344 HA SER 43 HA SER 43 32.102 20.452 -0.763
345 HB2 SER 43 HB2 SER 43 32.229 17.958 -0.521
346 HB3 SER 43 HB3 SER 43 30.820 17.833 -1.574
347 HG SER 43 HG SER 43 33.420 18.732 -2.188
348 H ASN 44 H ASN 44 28.709 19.697 -1.039
349 HA ASN 44 HA ASN 44 28.578 21.004 -3.661
350 HB2 ASN 44 HB2 ASN 44 27.425 18.717 -2.973
351 HB3 ASN 44 HB3 ASN 44 26.175 19.797 -2.362
352 HD21 ASN 44 HD21 ASN 44 27.471 18.262 -5.072
353 HD22 ASN 44 HD22 ASN 44 26.494 19.023 -6.277
354 H GLN 45 H GLN 45 28.442 21.867 -0.510
355 HA GLN 45 HA GLN 45 27.530 23.585 0.680
356 HB2 GLN 45 HB2 GLN 45 27.527 24.788 -2.092
357 HB3 GLN 45 HB3 GLN 45 27.229 25.705 -0.621
358 HG2 GLN 45 HG2 GLN 45 29.505 24.813 0.156
359 HG3 GLN 45 HG3 GLN 45 29.759 24.397 -1.538
360 HE21 GLN 45 HE21 GLN 45 30.669 26.549 0.569
361 HE22 GLN 45 HE22 GLN 45 30.718 27.987 -0.386
362 H GLU 46 H GLU 46 25.674 21.604 0.003
363 HA GLU 46 HA GLU 46 23.224 23.219 -0.178
364 HB2 GLU 46 HB2 GLU 46 22.214 21.826 -1.716
365 HB3 GLU 46 HB3 GLU 46 23.880 21.801 -2.278
366 HG2 GLU 46 HG2 GLU 46 24.003 19.714 -0.652
367 HG3 GLU 46 HG3 GLU 46 22.275 19.669 -0.994
368 H ALA 47 H ALA 47 21.288 21.970 0.644
369 HA ALA 47 HA ALA 47 22.045 20.139 2.821
370 HB1 ALA 47 HB1 ALA 47 20.261 21.257 4.206
371 HB2 ALA 47 HB2 ALA 47 21.714 22.214 3.914
372 HB3 ALA 47 HB3 ALA 47 20.244 22.542 2.998
373 H VAL 48 H VAL 48 20.956 18.291 2.762
374 HA VAL 48 HA VAL 48 18.439 18.195 1.236
375 HB VAL 48 HB VAL 48 20.169 15.825 1.924
376 HG11 VAL 48 HG11 VAL 48 18.456 14.698 1.071
377 HG12 VAL 48 HG12 VAL 48 17.629 16.194 0.632
378 HG13 VAL 48 HG13 VAL 48 18.784 15.464 -0.483
379 HG21 VAL 48 HG21 VAL 48 20.378 17.764 -0.341
380 HG22 VAL 48 HG22 VAL 48 21.657 17.036 0.630
381 HG23 VAL 48 HG23 VAL 48 20.813 16.072 -0.582
382 H ILE 49 H ILE 49 16.603 17.642 2.232
383 HA ILE 49 HA ILE 49 16.783 16.515 4.949
384 HB ILE 49 HB ILE 49 14.702 18.468 3.962
385 HG12 ILE 49 HG12 ILE 49 16.280 19.368 6.201
386 HG13 ILE 49 HG13 ILE 49 17.331 18.953 4.851
387 HG21 ILE 49 HG21 ILE 49 14.182 18.545 6.457
388 HG22 ILE 49 HG22 ILE 49 13.671 17.110 5.570
389 HG23 ILE 49 HG23 ILE 49 15.117 17.055 6.577
390 HD11 ILE 49 HD11 ILE 49 16.011 21.336 5.228
391 HD12 ILE 49 HD12 ILE 49 16.750 20.776 3.728
392 HD13 ILE 49 HD13 ILE 49 15.032 20.507 4.018
393 H THR 50 H THR 50 16.065 14.496 4.924
394 HA THR 50 HA THR 50 14.128 13.634 2.937
395 HB THR 50 HB THR 50 15.450 11.983 5.097
396 HG1 THR 50 HG1 THR 50 16.888 11.384 3.380
397 HG21 THR 50 HG21 THR 50 13.676 11.390 2.784
398 HG22 THR 50 HG22 THR 50 13.759 10.625 4.371
399 HG23 THR 50 HG23 THR 50 14.969 10.247 3.145
400 H TYR 51 H TYR 51 12.017 13.503 3.299
401 HA TYR 51 HA TYR 51 11.053 13.106 6.041
402 HB2 TYR 51 HB2 TYR 51 9.593 14.913 6.009
403 HB3 TYR 51 HB3 TYR 51 11.011 15.575 5.203
404 HD1 TYR 51 HD1 TYR 51 11.010 15.354 2.583
405 HD2 TYR 51 HD2 TYR 51 7.520 15.160 5.009
406 HE1 TYR 51 HE1 TYR 51 9.631 15.951 0.636
407 HE2 TYR 51 HE2 TYR 51 6.131 15.755 3.068
408 HH TYR 51 HH TYR 51 7.468 15.946 -0.158
409 H GLN 52 H GLN 52 8.670 12.569 6.052
410 HA GLN 52 HA GLN 52 8.049 10.872 3.726
411 HB2 GLN 52 HB2 GLN 52 8.446 9.535 5.699
412 HB3 GLN 52 HB3 GLN 52 7.329 10.516 6.638
413 HG2 GLN 52 HG2 GLN 52 5.844 8.924 6.178
414 HG3 GLN 52 HG3 GLN 52 5.741 9.686 4.592
415 HE21 GLN 52 HE21 GLN 52 7.761 7.344 6.332
416 HE22 GLN 52 HE22 GLN 52 7.919 6.241 5.012
417 HA PRO 53 HA PRO 53 4.513 13.426 3.051
418 HB2 PRO 53 HB2 PRO 53 3.150 11.748 1.409
419 HB3 PRO 53 HB3 PRO 53 4.572 12.658 0.886
420 HG2 PRO 53 HG2 PRO 53 4.366 9.801 1.756
421 HG3 PRO 53 HG3 PRO 53 5.274 10.494 0.400
422 HD2 PRO 53 HD2 PRO 53 6.446 9.825 2.748
423 HD3 PRO 53 HD3 PRO 53 7.011 11.181 1.751
424 H TYR 54 H TYR 54 4.031 10.003 3.869
425 HA TYR 54 HA TYR 54 1.333 10.236 4.650
426 HB2 TYR 54 HB2 TYR 54 2.030 8.046 4.235
427 HB3 TYR 54 HB3 TYR 54 3.499 8.228 5.188
428 HD1 TYR 54 HD2 TYR 54 3.408 8.107 7.645
429 HD2 TYR 54 HD1 TYR 54 -0.049 7.422 5.261
430 HE1 TYR 54 HE2 TYR 54 2.289 7.072 9.575
431 HE2 TYR 54 HE1 TYR 54 -1.178 6.386 7.185
432 HH TYR 54 HH TYR 54 0.487 5.544 10.057
433 H LEU 55 H LEU 55 4.184 11.319 6.122
434 HA LEU 55 HA LEU 55 2.893 11.470 8.760
435 HB2 LEU 55 HB2 LEU 55 5.794 11.850 8.035
436 HB3 LEU 55 HB3 LEU 55 5.119 11.880 9.662
437 HG LEU 55 HG LEU 55 4.990 9.446 7.897
438 HD11 LEU 55 HD11 LEU 55 7.342 10.528 8.713
439 HD12 LEU 55 HD12 LEU 55 7.067 8.807 8.448
440 HD13 LEU 55 HD13 LEU 55 6.952 9.476 10.075
441 HD21 LEU 55 HD21 LEU 55 3.422 9.361 9.682
442 HD22 LEU 55 HD22 LEU 55 4.612 9.952 10.842
443 HD23 LEU 55 HD23 LEU 55 4.785 8.341 10.143
444 H ILE 56 H ILE 56 5.345 13.466 7.129
445 HA ILE 56 HA ILE 56 3.687 15.827 7.735
446 HB ILE 56 HB ILE 56 5.739 15.716 9.117
447 HG12 ILE 56 HG12 ILE 56 5.707 17.936 7.061
448 HG13 ILE 56 HG13 ILE 56 4.746 17.884 8.534
449 HG21 ILE 56 HG21 ILE 56 6.960 14.696 6.945
450 HG22 ILE 56 HG22 ILE 56 7.485 16.375 6.838
451 HG23 ILE 56 HG23 ILE 56 7.821 15.438 8.293
452 HD11 ILE 56 HD11 ILE 56 7.259 17.578 9.516
453 HD12 ILE 56 HD12 ILE 56 7.538 18.637 8.133
454 HD13 ILE 56 HD13 ILE 56 6.397 19.112 9.391
455 H GLN 57 H GLN 57 3.784 17.582 6.251
456 HA GLN 57 HA GLN 57 4.163 16.701 3.510
457 HB2 GLN 57 HB2 GLN 57 2.616 18.775 4.880
458 HB3 GLN 57 HB3 GLN 57 3.353 19.331 3.383
459 HG2 GLN 57 HG2 GLN 57 2.342 17.272 2.298
460 HG3 GLN 57 HG3 GLN 57 1.394 17.095 3.773
461 HE21 GLN 57 HE21 GLN 57 0.160 17.429 1.362
462 HE22 GLN 57 HE22 GLN 57 -0.593 18.982 1.298
463 HA PRO 58 HA PRO 58 7.876 18.842 2.579
464 HB2 PRO 58 HB2 PRO 58 7.338 20.106 0.237
465 HB3 PRO 58 HB3 PRO 58 7.533 18.354 0.360
466 HG2 PRO 58 HG2 PRO 58 5.020 19.977 0.255
467 HG3 PRO 58 HG3 PRO 58 5.408 18.460 -0.578
468 HD2 PRO 58 HD2 PRO 58 3.891 18.545 1.664
469 HD3 PRO 58 HD3 PRO 58 4.957 17.177 1.283
470 H GLU 59 H GLU 59 5.068 20.965 2.000
471 HA GLU 59 HA GLU 59 6.447 23.396 2.270
472 HB2 GLU 59 HB2 GLU 59 3.548 22.659 2.634
473 HB3 GLU 59 HB3 GLU 59 4.123 24.310 2.813
474 HG2 GLU 59 HG2 GLU 59 4.727 24.467 0.558
475 HG3 GLU 59 HG3 GLU 59 4.649 22.721 0.328
476 H ASP 60 H ASP 60 5.016 21.241 4.628
477 HA ASP 60 HA ASP 60 5.086 23.036 6.826
478 HB2 ASP 60 HB2 ASP 60 4.341 20.301 6.355
479 HB3 ASP 60 HB3 ASP 60 5.350 20.393 7.795
480 H LEU 61 H LEU 61 7.340 20.600 5.603
481 HA LEU 61 HA LEU 61 9.207 20.806 7.716
482 HB2 LEU 61 HB2 LEU 61 10.440 19.303 6.562
483 HB3 LEU 61 HB3 LEU 61 8.910 19.087 5.713
484 HG LEU 61 HG LEU 61 9.964 20.951 4.137
485 HD11 LEU 61 HD11 LEU 61 12.043 21.441 4.828
486 HD12 LEU 61 HD12 LEU 61 12.471 19.940 4.007
487 HD13 LEU 61 HD13 LEU 61 12.203 19.946 5.750
488 HD21 LEU 61 HD21 LEU 61 9.824 19.274 2.690
489 HD22 LEU 61 HD22 LEU 61 9.584 18.178 4.051
490 HD23 LEU 61 HD23 LEU 61 11.208 18.462 3.423
491 H ARG 62 H ARG 62 8.557 22.773 4.960
492 HA ARG 62 HA ARG 62 10.995 23.986 4.474
493 HB2 ARG 62 HB2 ARG 62 8.830 24.322 3.213
494 HB3 ARG 62 HB3 ARG 62 8.346 25.433 4.487
495 HG2 ARG 62 HG2 ARG 62 9.213 26.939 3.044
496 HG3 ARG 62 HG3 ARG 62 10.703 26.514 3.887
497 HD2 ARG 62 HD2 ARG 62 11.412 26.257 1.737
498 HD3 ARG 62 HD3 ARG 62 10.787 24.634 2.026
499 HE ARG 62 HE ARG 62 9.096 25.045 0.526
500 HH11 ARG 62 HH11 ARG 62 10.713 28.027 1.310
501 HH12 ARG 62 HH12 ARG 62 9.916 28.937 0.070
502 HH21 ARG 62 HH21 ARG 62 8.040 26.233 -1.110
503 HH22 ARG 62 HH22 ARG 62 8.395 27.916 -1.305
504 H ASP 63 H ASP 63 8.584 24.747 6.949
505 HA ASP 63 HA ASP 63 9.873 27.048 7.960
506 HB2 ASP 63 HB2 ASP 63 7.483 26.413 8.381
507 HB3 ASP 63 HB3 ASP 63 8.063 25.162 9.478
508 H HIS 64 H HIS 64 10.116 23.622 8.751
509 HA HIS 64 HA HIS 64 11.628 23.816 11.090
510 HB2 HIS 64 HB2 HIS 64 10.689 21.701 10.486
511 HB3 HIS 64 HB3 HIS 64 11.547 21.689 8.948
512 HD1 HIS 64 HD1 HIS 64 13.000 19.672 9.220
513 HD2 HIS 64 HD2 HIS 64 13.242 22.250 12.469
514 HE1 HIS 64 HE1 HIS 64 14.853 18.768 10.659
515 H VAL 65 H VAL 65 12.609 23.872 7.706
516 HA VAL 65 HA VAL 65 15.369 23.634 8.029
517 HB VAL 65 HB VAL 65 13.948 25.308 5.954
518 HG11 VAL 65 HG11 VAL 65 16.737 24.545 6.395
519 HG12 VAL 65 HG12 VAL 65 16.146 24.206 4.767
520 HG13 VAL 65 HG13 VAL 65 16.056 25.844 5.417
521 HG21 VAL 65 HG21 VAL 65 14.505 23.027 4.671
522 HG22 VAL 65 HG22 VAL 65 14.257 22.385 6.295
523 HG23 VAL 65 HG23 VAL 65 12.977 23.307 5.506
524 H ASN 66 H ASN 66 13.295 26.502 8.136
525 HA ASN 66 HA ASN 66 15.350 28.412 8.357
526 HB2 ASN 66 HB2 ASN 66 13.252 29.288 7.800
527 HB3 ASN 66 HB3 ASN 66 12.435 28.400 9.082
528 HD21 ASN 66 HD21 ASN 66 14.624 31.063 8.413
529 HD22 ASN 66 HD22 ASN 66 14.276 31.954 9.852
530 H ASP 67 H ASP 67 13.855 26.300 10.679
531 HA ASP 67 HA ASP 67 14.565 27.634 13.047
532 HB2 ASP 67 HB2 ASP 67 13.051 25.526 12.622
533 HB3 ASP 67 HB3 ASP 67 14.547 24.644 12.915
534 H MET 68 H MET 68 16.441 25.850 10.779
535 HA MET 68 HA MET 68 18.575 25.105 12.500
536 HB2 MET 68 HB2 MET 68 18.473 25.489 9.505
537 HB3 MET 68 HB3 MET 68 19.853 24.821 10.366
538 HG2 MET 68 HG2 MET 68 18.774 22.856 10.858
539 HG3 MET 68 HG3 MET 68 17.172 23.582 10.737
540 HE1 MET 68 HE1 MET 68 19.536 24.269 7.341
541 HE2 MET 68 HE2 MET 68 20.304 23.575 8.769
542 HE3 MET 68 HE3 MET 68 20.004 22.568 7.351
543 H GLY 69 H GLY 69 17.576 28.094 11.282
544 HA2 GLY 69 HA2 GLY 69 18.507 30.162 11.883
545 HA3 GLY 69 HA3 GLY 69 20.008 29.343 12.290
546 H PHE 70 H PHE 70 19.372 28.033 9.446
547 HA PHE 70 HA PHE 70 20.833 30.126 7.980
548 HB2 PHE 70 HB2 PHE 70 20.720 27.209 7.224
549 HB3 PHE 70 HB3 PHE 70 21.865 28.430 6.679
550 HD1 PHE 70 HD2 PHE 70 23.468 29.405 8.399
551 HD2 PHE 70 HD1 PHE 70 21.199 25.865 9.060
552 HE1 PHE 70 HE2 PHE 70 25.025 28.744 10.187
553 HE2 PHE 70 HE1 PHE 70 22.751 25.199 10.849
554 HZ PHE 70 HZ PHE 70 24.667 26.640 11.415
555 H GLU 71 H GLU 71 20.403 30.248 5.637
556 HA GLU 71 HA GLU 71 17.527 29.984 5.140
557 HB2 GLU 71 HB2 GLU 71 19.501 31.502 3.443
558 HB3 GLU 71 HB3 GLU 71 17.753 31.684 3.500
559 HG2 GLU 71 HG2 GLU 71 19.730 32.470 5.625
560 HG3 GLU 71 HG3 GLU 71 18.768 33.543 4.609
561 H ALA 72 H ALA 72 16.759 28.503 3.788
562 HA ALA 72 HA ALA 72 18.630 27.230 1.897
563 HB1 ALA 72 HB1 ALA 72 16.248 25.733 2.841
564 HB2 ALA 72 HB2 ALA 72 17.853 25.149 2.401
565 HB3 ALA 72 HB3 ALA 72 17.596 25.928 3.962
566 H ALA 73 H ALA 73 17.959 26.898 -0.183
567 HA ALA 73 HA ALA 73 15.250 27.821 -0.880
568 HB1 ALA 73 HB1 ALA 73 17.182 29.444 -1.386
569 HB2 ALA 73 HB2 ALA 73 17.592 28.318 -2.680
570 HB3 ALA 73 HB3 ALA 73 16.014 29.105 -2.663
571 H ILE 74 H ILE 74 14.180 26.680 -2.442
572 HA ILE 74 HA ILE 74 14.886 24.003 -2.878
573 HB ILE 74 HB ILE 74 12.957 25.700 -4.466
574 HG12 ILE 74 HG12 ILE 74 12.400 23.817 -2.167
575 HG13 ILE 74 HG13 ILE 74 12.539 25.563 -1.993
576 HG21 ILE 74 HG21 ILE 74 11.906 23.335 -4.763
577 HG22 ILE 74 HG22 ILE 74 13.243 23.839 -5.796
578 HG23 ILE 74 HG23 ILE 74 13.543 22.773 -4.424
579 HD11 ILE 74 HD11 ILE 74 10.686 25.040 -4.068
580 HD12 ILE 74 HD12 ILE 74 10.267 24.031 -2.683
581 HD13 ILE 74 HD13 ILE 74 10.403 25.779 -2.492
582 H LYS 75 H LYS 75 16.263 23.094 -4.246
583 HA LYS 75 HA LYS 75 17.903 24.528 -5.993
584 HB2 LYS 75 HB2 LYS 75 18.721 22.403 -6.755
585 HB3 LYS 75 HB3 LYS 75 18.405 22.277 -5.030
586 HG2 LYS 75 HG2 LYS 75 17.392 20.366 -5.622
587 HG3 LYS 75 HG3 LYS 75 16.041 21.434 -6.009
588 HD2 LYS 75 HD2 LYS 75 16.223 20.190 -7.945
589 HD3 LYS 75 HD3 LYS 75 17.207 21.603 -8.336
590 HE2 LYS 75 HE2 LYS 75 19.227 20.398 -7.814
591 HE3 LYS 75 HE3 LYS 75 18.297 19.012 -7.245
592 HZ1 LYS 75 HZ1 LYS 75 17.484 19.614 -9.856
593 HZ2 LYS 75 HZ2 LYS 75 18.274 18.227 -9.299
594 HZ3 LYS 75 HZ3 LYS 75 19.174 19.552 -9.843
595 H SER 76 H SER 76 14.842 22.903 -6.524
596 HA SER 76 HA SER 76 14.970 23.499 -9.388
597 HB2 SER 76 HB2 SER 76 14.195 21.228 -8.356
598 HB3 SER 76 HB3 SER 76 12.676 22.078 -8.069
599 HG SER 76 HG SER 76 12.595 21.076 -10.076
Start of MODEL 9
1 H1 ALA 1 H ALA 1 3.248 -2.146 3.905
2 HA ALA 1 HA ALA 1 4.369 -2.244 1.196
3 HB1 ALA 1 HB1 ALA 1 1.932 -2.592 1.482
4 HB2 ALA 1 HB2 ALA 1 1.806 -0.950 2.113
5 HB3 ALA 1 HB3 ALA 1 2.326 -1.218 0.450
6 H GLY 2 H GLY 2 5.737 -0.711 0.576
7 HA2 GLY 2 HA2 GLY 2 5.774 1.822 0.291
8 HA3 GLY 2 HA3 GLY 2 5.724 1.847 2.047
9 H HIS 3 H HIS 3 7.696 1.606 -0.722
10 HA HIS 3 HA HIS 3 10.053 1.163 0.991
11 HB2 HIS 3 HB2 HIS 3 9.430 0.128 -1.757
12 HB3 HIS 3 HB3 HIS 3 11.103 0.346 -1.251
13 HD1 HIS 3 HD1 HIS 3 8.028 -1.276 0.323
14 HD2 HIS 3 HD2 HIS 3 12.076 -1.975 -0.298
15 HE1 HIS 3 HE1 HIS 3 8.487 -3.525 1.348
16 H MET 4 H MET 4 8.747 2.802 -1.852
17 HA MET 4 HA MET 4 10.859 4.832 -1.549
18 HB2 MET 4 HB2 MET 4 10.779 5.199 -3.973
19 HB3 MET 4 HB3 MET 4 11.239 3.545 -3.589
20 HG2 MET 4 HG2 MET 4 8.370 4.123 -4.083
21 HG3 MET 4 HG3 MET 4 9.471 4.103 -5.459
22 HE1 MET 4 HE1 MET 4 8.565 0.761 -6.446
23 HE2 MET 4 HE2 MET 4 8.711 2.492 -6.746
24 HE3 MET 4 HE3 MET 4 10.159 1.492 -6.634
25 H GLN 5 H GLN 5 8.510 5.044 -0.148
26 HA GLN 5 HA GLN 5 6.758 6.818 -1.664
27 HB2 GLN 5 HB2 GLN 5 6.561 5.380 0.946
28 HB3 GLN 5 HB3 GLN 5 5.580 6.819 0.701
29 HG2 GLN 5 HG2 GLN 5 5.543 4.735 -1.409
30 HG3 GLN 5 HG3 GLN 5 4.705 4.401 0.105
31 HE21 GLN 5 HE21 GLN 5 3.446 6.497 0.853
32 HE22 GLN 5 HE22 GLN 5 2.404 7.152 -0.360
33 H GLU 6 H GLU 6 9.395 6.970 0.484
34 HA GLU 6 HA GLU 6 8.771 9.524 1.641
35 HB2 GLU 6 HB2 GLU 6 11.542 8.384 1.516
36 HB3 GLU 6 HB3 GLU 6 10.801 9.356 2.780
37 HG2 GLU 6 HG2 GLU 6 10.671 7.394 3.852
38 HG3 GLU 6 HG3 GLU 6 9.221 7.182 2.872
39 H ALA 7 H ALA 7 9.510 11.524 1.063
40 HA ALA 7 HA ALA 7 10.946 11.693 -1.507
41 HB1 ALA 7 HB1 ALA 7 8.408 12.575 -1.027
42 HB2 ALA 7 HB2 ALA 7 9.362 14.034 -0.760
43 HB3 ALA 7 HB3 ALA 7 9.471 13.179 -2.298
44 H VAL 8 H VAL 8 12.615 13.142 -1.701
45 HA VAL 8 HA VAL 8 13.384 14.588 0.751
46 HB VAL 8 HB VAL 8 15.318 13.403 -1.240
47 HG11 VAL 8 HG11 VAL 8 16.071 15.365 0.093
48 HG12 VAL 8 HG12 VAL 8 15.782 14.425 1.558
49 HG13 VAL 8 HG13 VAL 8 17.001 13.898 0.397
50 HG21 VAL 8 HG21 VAL 8 13.971 12.213 1.103
51 HG22 VAL 8 HG22 VAL 8 14.632 11.443 -0.339
52 HG23 VAL 8 HG23 VAL 8 15.707 11.930 0.972
53 H VAL 9 H VAL 9 14.162 16.651 0.535
54 HA VAL 9 HA VAL 9 14.189 17.771 -2.192
55 HB VAL 9 HB VAL 9 13.305 19.259 0.281
56 HG11 VAL 9 HG11 VAL 9 14.214 20.640 -1.532
57 HG12 VAL 9 HG12 VAL 9 13.048 19.929 -2.650
58 HG13 VAL 9 HG13 VAL 9 12.488 20.916 -1.300
59 HG21 VAL 9 HG21 VAL 9 11.633 17.641 -0.017
60 HG22 VAL 9 HG22 VAL 9 11.016 19.076 -0.836
61 HG23 VAL 9 HG23 VAL 9 11.712 17.756 -1.775
62 H LYS 10 H LYS 10 15.921 18.953 -2.751
63 HA LYS 10 HA LYS 10 17.936 19.469 -0.668
64 HB2 LYS 10 HB2 LYS 10 19.527 19.580 -2.651
65 HB3 LYS 10 HB3 LYS 10 18.870 17.997 -2.261
66 HG2 LYS 10 HG2 LYS 10 17.388 19.610 -4.248
67 HG3 LYS 10 HG3 LYS 10 18.953 18.960 -4.740
68 HD2 LYS 10 HD2 LYS 10 18.244 16.785 -4.607
69 HD3 LYS 10 HD3 LYS 10 17.038 17.141 -3.369
70 HE2 LYS 10 HE2 LYS 10 15.690 18.310 -5.090
71 HE3 LYS 10 HE3 LYS 10 16.868 17.815 -6.304
72 HZ1 LYS 10 HZ1 LYS 10 15.323 16.162 -6.488
73 HZ2 LYS 10 HZ2 LYS 10 14.906 16.192 -4.849
74 HZ3 LYS 10 HZ3 LYS 10 16.351 15.463 -5.341
75 H LEU 11 H LEU 11 18.508 21.503 -0.225
76 HA LEU 11 HA LEU 11 17.732 23.615 -2.125
77 HB2 LEU 11 HB2 LEU 11 17.564 23.679 0.883
78 HB3 LEU 11 HB3 LEU 11 17.308 25.072 -0.165
79 HG LEU 11 HG LEU 11 15.470 23.452 -1.208
80 HD11 LEU 11 HD11 LEU 11 14.489 21.971 0.287
81 HD12 LEU 11 HD12 LEU 11 15.317 22.670 1.678
82 HD13 LEU 11 HD13 LEU 11 16.216 21.692 0.517
83 HD21 LEU 11 HD21 LEU 11 13.843 24.514 0.373
84 HD22 LEU 11 HD22 LEU 11 14.954 25.637 -0.411
85 HD23 LEU 11 HD23 LEU 11 15.224 25.155 1.265
86 H ARG 12 H ARG 12 18.946 25.682 -1.750
87 HA ARG 12 HA ARG 12 21.767 25.041 -1.312
88 HB2 ARG 12 HB2 ARG 12 20.689 26.288 -3.392
89 HB3 ARG 12 HB3 ARG 12 20.878 27.692 -2.349
90 HG2 ARG 12 HG2 ARG 12 22.871 27.773 -3.422
91 HG3 ARG 12 HG3 ARG 12 23.323 26.703 -2.093
92 HD2 ARG 12 HD2 ARG 12 23.361 24.834 -3.431
93 HD3 ARG 12 HD3 ARG 12 22.225 25.515 -4.595
94 HE ARG 12 HE ARG 12 24.729 26.905 -4.535
95 HH11 ARG 12 HH11 ARG 12 23.049 24.142 -5.826
96 HH12 ARG 12 HH12 ARG 12 24.074 24.005 -7.216
97 HH21 ARG 12 HH21 ARG 12 26.085 26.735 -6.361
98 HH22 ARG 12 HH22 ARG 12 25.801 25.480 -7.519
99 H VAL 13 H VAL 13 22.709 25.570 0.537
100 HA VAL 13 HA VAL 13 21.384 27.307 2.426
101 HB VAL 13 HB VAL 13 24.123 26.096 2.753
102 HG11 VAL 13 HG11 VAL 13 23.414 27.799 4.384
103 HG12 VAL 13 HG12 VAL 13 21.993 26.823 4.763
104 HG13 VAL 13 HG13 VAL 13 23.608 26.207 5.119
105 HG21 VAL 13 HG21 VAL 13 21.543 24.761 2.568
106 HG22 VAL 13 HG22 VAL 13 23.171 24.084 2.547
107 HG23 VAL 13 HG23 VAL 13 22.380 24.432 4.085
108 H GLU 14 H GLU 14 21.947 29.341 2.996
109 HA GLU 14 HA GLU 14 24.079 30.609 1.422
110 HB2 GLU 14 HB2 GLU 14 21.412 31.375 2.015
111 HB3 GLU 14 HB3 GLU 14 22.474 32.517 2.826
112 HG2 GLU 14 HG2 GLU 14 22.805 31.807 -0.068
113 HG3 GLU 14 HG3 GLU 14 21.727 33.092 0.473
114 H GLY 15 H GLY 15 23.159 29.717 4.604
115 HA2 GLY 15 HA2 GLY 15 24.928 31.614 5.909
116 HA3 GLY 15 HA3 GLY 15 23.966 30.370 6.695
117 H MET 16 H MET 16 24.743 28.050 5.818
118 HA MET 16 HA MET 16 27.134 27.484 7.053
119 HB2 MET 16 HB2 MET 16 25.535 25.748 6.495
120 HB3 MET 16 HB3 MET 16 25.806 26.005 4.777
121 HG2 MET 16 HG2 MET 16 27.653 24.749 4.753
122 HG3 MET 16 HG3 MET 16 28.230 25.395 6.288
123 HE1 MET 16 HE1 MET 16 24.732 22.718 5.894
124 HE2 MET 16 HE2 MET 16 25.629 23.469 4.574
125 HE3 MET 16 HE3 MET 16 26.024 21.828 5.088
126 H THR 17 H THR 17 29.251 27.166 6.392
127 HA THR 17 HA THR 17 29.956 27.969 3.661
128 HB THR 17 HB THR 17 31.925 29.254 4.665
129 HG1 THR 17 HG1 THR 17 31.817 29.801 6.774
130 HG21 THR 17 HG21 THR 17 30.777 31.132 4.221
131 HG22 THR 17 HG22 THR 17 29.582 30.804 5.477
132 HG23 THR 17 HG23 THR 17 29.418 30.059 3.888
133 H CYS 18 H CYS 18 31.854 27.333 6.600
134 HA CYS 18 HA CYS 18 33.017 24.993 5.240
135 HB2 CYS 18 HB2 CYS 18 34.430 27.055 6.941
136 HB3 CYS 18 HB3 CYS 18 35.160 25.545 6.409
137 HG CYS 18 HG CYS 18 35.563 26.192 3.882
138 H GLN 19 H GLN 19 32.105 26.499 8.284
139 HA GLN 19 HA GLN 19 32.904 24.584 10.099
140 HB2 GLN 19 HB2 GLN 19 30.659 26.541 10.006
141 HB3 GLN 19 HB3 GLN 19 30.626 25.309 11.261
142 HG2 GLN 19 HG2 GLN 19 33.021 27.054 10.803
143 HG3 GLN 19 HG3 GLN 19 31.683 27.541 11.842
144 HE21 GLN 19 HE21 GLN 19 34.602 25.928 11.688
145 HE22 GLN 19 HE22 GLN 19 34.534 25.112 13.209
146 H SER 20 H SER 20 31.972 22.737 10.986
147 HA SER 20 HA SER 20 30.265 21.266 9.146
148 HB2 SER 20 HB2 SER 20 30.900 19.302 10.350
149 HB3 SER 20 HB3 SER 20 32.357 20.281 10.185
150 HG SER 20 HG SER 20 31.080 19.469 12.428
151 H CYS 21 H CYS 21 28.816 23.270 10.217
152 HA CYS 21 HA CYS 21 27.499 22.719 12.637
153 HB2 CYS 21 HB2 CYS 21 27.146 24.545 10.374
154 HB3 CYS 21 HB3 CYS 21 25.630 24.079 11.135
155 HG CYS 21 HG CYS 21 26.796 26.590 12.064
156 H VAL 22 H VAL 22 27.289 21.218 9.591
157 HA VAL 22 HA VAL 22 24.661 20.412 9.373
158 HB VAL 22 HB VAL 22 27.093 18.722 8.771
159 HG11 VAL 22 HG11 VAL 22 24.346 18.103 8.644
160 HG12 VAL 22 HG12 VAL 22 24.898 18.331 6.983
161 HG13 VAL 22 HG13 VAL 22 25.702 17.159 8.028
162 HG21 VAL 22 HG21 VAL 22 26.660 19.614 6.424
163 HG22 VAL 22 HG22 VAL 22 25.664 20.847 7.198
164 HG23 VAL 22 HG23 VAL 22 27.381 20.730 7.584
165 H SER 23 H SER 23 27.255 18.911 11.273
166 HA SER 23 HA SER 23 25.964 16.652 12.174
167 HB2 SER 23 HB2 SER 23 28.240 18.251 13.024
168 HB3 SER 23 HB3 SER 23 27.401 17.530 14.397
169 HG SER 23 HG SER 23 27.781 15.531 13.594
170 H SER 24 H SER 24 25.695 19.959 13.358
171 HA SER 24 HA SER 24 24.137 19.350 15.649
172 HB2 SER 24 HB2 SER 24 25.372 21.472 15.402
173 HB3 SER 24 HB3 SER 24 24.298 21.938 14.083
174 HG SER 24 HG SER 24 23.720 22.805 16.175
175 H ILE 25 H ILE 25 23.334 20.217 12.323
176 HA ILE 25 HA ILE 25 20.551 20.500 12.699
177 HB ILE 25 HB ILE 25 22.046 19.709 10.196
178 HG12 ILE 25 HG12 ILE 25 20.971 22.446 10.796
179 HG13 ILE 25 HG13 ILE 25 22.538 21.957 11.434
180 HG21 ILE 25 HG21 ILE 25 19.720 19.142 9.982
181 HG22 ILE 25 HG22 ILE 25 19.236 20.722 10.595
182 HG23 ILE 25 HG23 ILE 25 20.040 20.592 9.031
183 HD11 ILE 25 HD11 ILE 25 22.304 21.359 8.619
184 HD12 ILE 25 HD12 ILE 25 22.028 23.068 8.957
185 HD13 ILE 25 HD13 ILE 25 23.524 22.296 9.481
186 H GLU 26 H GLU 26 22.597 17.736 12.454
187 HA GLU 26 HA GLU 26 20.754 15.835 11.509
188 HB2 GLU 26 HB2 GLU 26 23.417 15.841 12.466
189 HB3 GLU 26 HB3 GLU 26 22.539 14.652 13.418
190 HG2 GLU 26 HG2 GLU 26 21.774 13.588 11.333
191 HG3 GLU 26 HG3 GLU 26 22.741 14.743 10.417
192 H GLY 27 H GLY 27 21.435 17.055 14.748
193 HA2 GLY 27 HA2 GLY 27 19.886 15.180 16.180
194 HA3 GLY 27 HA3 GLY 27 20.335 16.782 16.745
195 H LYS 28 H LYS 28 18.982 17.906 14.265
196 HA LYS 28 HA LYS 28 16.527 18.558 15.460
197 HB2 LYS 28 HB2 LYS 28 17.444 18.781 12.590
198 HB3 LYS 28 HB3 LYS 28 15.942 19.469 13.193
199 HG2 LYS 28 HG2 LYS 28 18.721 20.187 14.104
200 HG3 LYS 28 HG3 LYS 28 17.669 21.160 13.073
201 HD2 LYS 28 HD2 LYS 28 17.115 22.149 15.024
202 HD3 LYS 28 HD3 LYS 28 16.039 20.759 15.188
203 HE2 LYS 28 HE2 LYS 28 17.289 19.818 16.822
204 HE3 LYS 28 HE3 LYS 28 18.811 20.374 16.125
205 HZ1 LYS 28 HZ1 LYS 28 17.027 21.721 18.010
206 HZ2 LYS 28 HZ2 LYS 28 17.855 22.686 16.894
207 HZ3 LYS 28 HZ3 LYS 28 18.718 21.691 17.955
208 H VAL 29 H VAL 29 17.318 16.262 12.872
209 HA VAL 29 HA VAL 29 14.771 15.439 12.177
210 HB VAL 29 HB VAL 29 17.264 13.740 12.338
211 HG11 VAL 29 HG11 VAL 29 14.626 12.944 11.868
212 HG12 VAL 29 HG12 VAL 29 15.395 12.998 10.281
213 HG13 VAL 29 HG13 VAL 29 16.094 12.015 11.568
214 HG21 VAL 29 HG21 VAL 29 16.082 15.257 10.014
215 HG22 VAL 29 HG22 VAL 29 17.501 15.750 10.939
216 HG23 VAL 29 HG23 VAL 29 17.542 14.268 9.984
217 H ARG 30 H ARG 30 16.854 14.205 14.774
218 HA ARG 30 HA ARG 30 15.261 12.116 15.662
219 HB2 ARG 30 HB2 ARG 30 17.630 12.951 16.422
220 HB3 ARG 30 HB3 ARG 30 16.714 13.835 17.635
221 HG2 ARG 30 HG2 ARG 30 17.359 11.822 18.656
222 HG3 ARG 30 HG3 ARG 30 15.652 11.625 18.252
223 HD2 ARG 30 HD2 ARG 30 16.549 10.567 16.064
224 HD3 ARG 30 HD3 ARG 30 18.059 10.401 16.958
225 HE ARG 30 HE ARG 30 16.118 9.344 18.591
226 HH11 ARG 30 HH11 ARG 30 17.316 8.728 15.380
227 HH12 ARG 30 HH12 ARG 30 16.950 7.035 15.428
228 HH21 ARG 30 HH21 ARG 30 15.631 7.117 18.665
229 HH22 ARG 30 HH22 ARG 30 15.991 6.120 17.296
230 H LYS 31 H LYS 31 14.853 15.539 16.045
231 HA LYS 31 HA LYS 31 12.759 15.185 18.051
232 HB2 LYS 31 HB2 LYS 31 13.820 17.740 16.831
233 HB3 LYS 31 HB3 LYS 31 12.758 17.609 18.227
234 HG2 LYS 31 HG2 LYS 31 15.599 16.621 18.070
235 HG3 LYS 31 HG3 LYS 31 15.045 18.078 18.899
236 HD2 LYS 31 HD2 LYS 31 13.651 16.686 20.373
237 HD3 LYS 31 HD3 LYS 31 14.252 15.240 19.558
238 HE2 LYS 31 HE2 LYS 31 16.589 16.138 20.197
239 HE3 LYS 31 HE3 LYS 31 15.715 17.150 21.345
240 HZ1 LYS 31 HZ1 LYS 31 16.079 14.246 21.329
241 HZ2 LYS 31 HZ2 LYS 31 14.632 14.856 21.956
242 HZ3 LYS 31 HZ3 LYS 31 16.110 15.330 22.627
243 H LEU 32 H LEU 32 13.136 15.539 14.679
244 HA LEU 32 HA LEU 32 10.571 16.729 14.164
245 HB2 LEU 32 HB2 LEU 32 12.896 15.905 12.635
246 HB3 LEU 32 HB3 LEU 32 11.387 15.474 11.833
247 HG LEU 32 HG LEU 32 12.368 17.666 11.138
248 HD11 LEU 32 HD11 LEU 32 9.710 16.956 11.653
249 HD12 LEU 32 HD12 LEU 32 10.298 18.196 10.546
250 HD13 LEU 32 HD13 LEU 32 9.881 18.622 12.206
251 HD21 LEU 32 HD21 LEU 32 11.594 18.459 13.944
252 HD22 LEU 32 HD22 LEU 32 12.063 19.575 12.660
253 HD23 LEU 32 HD23 LEU 32 13.228 18.404 13.281
254 H GLN 33 H GLN 33 8.677 15.750 13.667
255 HA GLN 33 HA GLN 33 8.467 12.918 14.248
256 HB2 GLN 33 HB2 GLN 33 6.804 14.354 15.229
257 HB3 GLN 33 HB3 GLN 33 6.396 15.035 13.660
258 HG2 GLN 33 HG2 GLN 33 4.688 13.493 14.308
259 HG3 GLN 33 HG3 GLN 33 5.584 12.815 12.950
260 HE21 GLN 33 HE21 GLN 33 5.062 12.647 16.405
261 HE22 GLN 33 HE22 GLN 33 5.671 11.043 16.613
262 H GLY 34 H GLY 34 8.066 15.092 11.503
263 HA2 GLY 34 HA2 GLY 34 7.210 12.913 9.774
264 HA3 GLY 34 HA3 GLY 34 7.382 14.601 9.318
265 H VAL 35 H VAL 35 9.807 15.348 9.538
266 HA VAL 35 HA VAL 35 11.274 14.346 7.503
267 HB VAL 35 HB VAL 35 11.750 16.219 9.470
268 HG11 VAL 35 HG11 VAL 35 13.908 15.756 10.423
269 HG12 VAL 35 HG12 VAL 35 12.810 14.438 10.840
270 HG13 VAL 35 HG13 VAL 35 14.006 14.220 9.561
271 HG21 VAL 35 HG21 VAL 35 13.221 17.076 7.960
272 HG22 VAL 35 HG22 VAL 35 13.995 15.519 7.661
273 HG23 VAL 35 HG23 VAL 35 12.437 15.886 6.920
274 H VAL 36 H VAL 36 12.709 12.721 7.118
275 HA VAL 36 HA VAL 36 12.737 10.538 9.051
276 HB VAL 36 HB VAL 36 13.984 10.437 6.319
277 HG11 VAL 36 HG11 VAL 36 12.530 8.218 7.689
278 HG12 VAL 36 HG12 VAL 36 13.854 8.144 6.525
279 HG13 VAL 36 HG13 VAL 36 14.169 8.629 8.191
280 HG21 VAL 36 HG21 VAL 36 11.784 11.280 5.903
281 HG22 VAL 36 HG22 VAL 36 11.791 9.563 5.503
282 HG23 VAL 36 HG23 VAL 36 11.069 10.113 7.015
283 H ARG 37 H ARG 37 15.060 12.426 7.126
284 HA ARG 37 HA ARG 37 16.965 12.494 9.235
285 HB2 ARG 37 HB2 ARG 37 18.699 11.119 8.312
286 HB3 ARG 37 HB3 ARG 37 17.241 10.143 8.426
287 HG2 ARG 37 HG2 ARG 37 16.829 10.556 6.020
288 HG3 ARG 37 HG3 ARG 37 18.370 11.414 5.942
289 HD2 ARG 37 HD2 ARG 37 18.823 9.226 5.196
290 HD3 ARG 37 HD3 ARG 37 19.432 9.300 6.849
291 HE ARG 37 HE ARG 37 16.790 8.348 6.887
292 HH11 ARG 37 HH11 ARG 37 19.981 7.369 5.896
293 HH12 ARG 37 HH12 ARG 37 19.673 5.679 6.118
294 HH21 ARG 37 HH21 ARG 37 16.373 6.126 7.183
295 HH22 ARG 37 HH22 ARG 37 17.620 4.973 6.849
296 H VAL 38 H VAL 38 19.121 13.399 8.390
297 HA VAL 38 HA VAL 38 18.569 15.257 6.168
298 HB VAL 38 HB VAL 38 18.626 16.387 8.374
299 HG11 VAL 38 HG11 VAL 38 20.653 16.537 9.647
300 HG12 VAL 38 HG12 VAL 38 20.273 14.831 9.407
301 HG13 VAL 38 HG13 VAL 38 21.534 15.598 8.442
302 HG21 VAL 38 HG21 VAL 38 21.008 17.596 7.361
303 HG22 VAL 38 HG22 VAL 38 19.999 17.082 6.009
304 HG23 VAL 38 HG23 VAL 38 19.341 18.159 7.240
305 H LYS 39 H LYS 39 19.975 15.267 4.532
306 HA LYS 39 HA LYS 39 22.508 13.804 4.884
307 HB2 LYS 39 HB2 LYS 39 20.842 12.833 3.276
308 HB3 LYS 39 HB3 LYS 39 21.017 14.285 2.300
309 HG2 LYS 39 HG2 LYS 39 22.755 13.385 1.276
310 HG3 LYS 39 HG3 LYS 39 23.613 13.278 2.815
311 HD2 LYS 39 HD2 LYS 39 23.598 11.071 2.179
312 HD3 LYS 39 HD3 LYS 39 22.116 11.144 3.137
313 HE2 LYS 39 HE2 LYS 39 21.631 9.965 1.115
314 HE3 LYS 39 HE3 LYS 39 20.858 11.546 1.020
315 HZ1 LYS 39 HZ1 LYS 39 22.050 10.804 -1.033
316 HZ2 LYS 39 HZ2 LYS 39 23.504 10.970 -0.184
317 HZ3 LYS 39 HZ3 LYS 39 22.519 12.320 -0.447
318 H VAL 40 H VAL 40 21.732 16.752 5.228
319 HA VAL 40 HA VAL 40 22.724 18.421 3.317
320 HB VAL 40 HB VAL 40 23.039 18.603 6.309
321 HG11 VAL 40 HG11 VAL 40 23.522 21.020 5.914
322 HG12 VAL 40 HG12 VAL 40 24.806 19.930 5.389
323 HG13 VAL 40 HG13 VAL 40 23.717 20.648 4.202
324 HG21 VAL 40 HG21 VAL 40 21.048 19.672 6.338
325 HG22 VAL 40 HG22 VAL 40 21.324 20.457 4.782
326 HG23 VAL 40 HG23 VAL 40 20.792 18.776 4.840
327 H SER 41 H SER 41 24.607 18.706 2.325
328 HA SER 41 HA SER 41 27.010 17.495 3.524
329 HB2 SER 41 HB2 SER 41 26.108 16.632 1.269
330 HB3 SER 41 HB3 SER 41 26.705 18.150 0.599
331 HG SER 41 HG SER 41 28.074 15.932 1.174
332 H LEU 42 H LEU 42 28.130 19.043 4.528
333 HA LEU 42 HA LEU 42 28.080 21.783 3.795
334 HB2 LEU 42 HB2 LEU 42 29.348 22.149 5.645
335 HB3 LEU 42 HB3 LEU 42 28.693 20.564 6.049
336 HG LEU 42 HG LEU 42 30.994 20.559 6.639
337 HD11 LEU 42 HD11 LEU 42 31.192 18.494 5.868
338 HD12 LEU 42 HD12 LEU 42 31.608 19.107 4.268
339 HD13 LEU 42 HD13 LEU 42 29.920 18.820 4.690
340 HD21 LEU 42 HD21 LEU 42 31.315 22.417 4.653
341 HD22 LEU 42 HD22 LEU 42 32.121 20.999 3.981
342 HD23 LEU 42 HD23 LEU 42 32.620 21.638 5.548
343 H SER 43 H SER 43 29.927 19.090 2.728
344 HA SER 43 HA SER 43 32.198 20.543 1.783
345 HB2 SER 43 HB2 SER 43 32.415 18.176 2.256
346 HB3 SER 43 HB3 SER 43 31.154 17.788 1.085
347 HG SER 43 HG SER 43 32.509 18.437 -0.561
348 H ASN 44 H ASN 44 29.083 19.670 0.467
349 HA ASN 44 HA ASN 44 29.843 20.725 -2.161
350 HB2 ASN 44 HB2 ASN 44 28.564 18.479 -1.754
351 HB3 ASN 44 HB3 ASN 44 27.161 19.524 -1.555
352 HD21 ASN 44 HD21 ASN 44 26.196 20.365 -3.309
353 HD22 ASN 44 HD22 ASN 44 26.725 20.110 -4.933
354 H GLN 45 H GLN 45 28.802 21.966 0.625
355 HA GLN 45 HA GLN 45 27.643 23.816 1.268
356 HB2 GLN 45 HB2 GLN 45 28.195 24.546 -1.611
357 HB3 GLN 45 HB3 GLN 45 27.546 25.667 -0.422
358 HG2 GLN 45 HG2 GLN 45 29.610 25.163 0.963
359 HG3 GLN 45 HG3 GLN 45 30.255 24.382 -0.480
360 HE21 GLN 45 HE21 GLN 45 31.853 26.192 0.124
361 HE22 GLN 45 HE22 GLN 45 31.623 27.690 -0.706
362 H GLU 46 H GLU 46 26.052 21.615 0.563
363 HA GLU 46 HA GLU 46 23.637 23.002 -0.379
364 HB2 GLU 46 HB2 GLU 46 23.071 21.372 -1.883
365 HB3 GLU 46 HB3 GLU 46 24.822 21.271 -1.996
366 HG2 GLU 46 HG2 GLU 46 24.530 19.493 -0.094
367 HG3 GLU 46 HG3 GLU 46 22.891 19.393 -0.737
368 H ALA 47 H ALA 47 21.631 22.075 0.391
369 HA ALA 47 HA ALA 47 21.967 20.541 2.887
370 HB1 ALA 47 HB1 ALA 47 19.725 21.838 3.447
371 HB2 ALA 47 HB2 ALA 47 21.313 22.537 3.769
372 HB3 ALA 47 HB3 ALA 47 20.417 23.010 2.325
373 H VAL 48 H VAL 48 20.954 18.651 2.914
374 HA VAL 48 HA VAL 48 18.757 18.207 1.002
375 HB VAL 48 HB VAL 48 20.651 16.205 2.238
376 HG11 VAL 48 HG11 VAL 48 18.775 14.917 2.010
377 HG12 VAL 48 HG12 VAL 48 18.130 15.894 0.689
378 HG13 VAL 48 HG13 VAL 48 19.448 14.760 0.387
379 HG21 VAL 48 HG21 VAL 48 21.784 17.395 0.532
380 HG22 VAL 48 HG22 VAL 48 21.285 15.862 -0.182
381 HG23 VAL 48 HG23 VAL 48 20.384 17.336 -0.538
382 H ILE 49 H ILE 49 16.788 17.857 1.784
383 HA ILE 49 HA ILE 49 16.527 17.056 4.610
384 HB ILE 49 HB ILE 49 14.633 18.797 3.027
385 HG12 ILE 49 HG12 ILE 49 15.565 20.197 5.249
386 HG13 ILE 49 HG13 ILE 49 16.997 19.393 4.614
387 HG21 ILE 49 HG21 ILE 49 13.928 19.112 5.612
388 HG22 ILE 49 HG22 ILE 49 13.175 17.951 4.520
389 HG23 ILE 49 HG23 ILE 49 14.445 17.426 5.624
390 HD11 ILE 49 HD11 ILE 49 15.978 21.783 3.756
391 HD12 ILE 49 HD12 ILE 49 17.113 20.765 2.868
392 HD13 ILE 49 HD13 ILE 49 15.383 20.647 2.546
393 H THR 50 H THR 50 15.820 15.041 4.771
394 HA THR 50 HA THR 50 14.112 13.938 2.659
395 HB THR 50 HB THR 50 15.562 12.504 4.893
396 HG1 THR 50 HG1 THR 50 16.897 11.803 3.096
397 HG21 THR 50 HG21 THR 50 14.339 10.717 4.373
398 HG22 THR 50 HG22 THR 50 14.905 10.815 2.705
399 HG23 THR 50 HG23 THR 50 13.439 11.668 3.192
400 H TYR 51 H TYR 51 11.998 13.814 2.977
401 HA TYR 51 HA TYR 51 10.983 13.348 5.689
402 HB2 TYR 51 HB2 TYR 51 9.511 15.132 5.675
403 HB3 TYR 51 HB3 TYR 51 10.900 15.832 4.849
404 HD1 TYR 51 HD1 TYR 51 10.839 15.386 2.186
405 HD2 TYR 51 HD2 TYR 51 7.446 15.547 4.749
406 HE1 TYR 51 HE1 TYR 51 9.416 15.944 0.258
407 HE2 TYR 51 HE2 TYR 51 6.014 16.104 2.828
408 HH TYR 51 HH TYR 51 6.548 15.560 -0.083
409 H GLN 52 H GLN 52 8.540 12.868 5.573
410 HA GLN 52 HA GLN 52 7.992 11.232 3.186
411 HB2 GLN 52 HB2 GLN 52 7.678 10.586 6.094
412 HB3 GLN 52 HB3 GLN 52 6.617 9.829 4.913
413 HG2 GLN 52 HG2 GLN 52 8.377 8.707 3.873
414 HG3 GLN 52 HG3 GLN 52 9.594 9.749 4.608
415 HE21 GLN 52 HE21 GLN 52 6.996 7.533 5.574
416 HE22 GLN 52 HE22 GLN 52 7.877 6.788 6.859
417 HA PRO 53 HA PRO 53 4.310 13.639 2.841
418 HB2 PRO 53 HB2 PRO 53 2.966 12.025 1.121
419 HB3 PRO 53 HB3 PRO 53 4.321 13.044 0.622
420 HG2 PRO 53 HG2 PRO 53 4.287 10.122 1.270
421 HG3 PRO 53 HG3 PRO 53 5.107 10.964 -0.058
422 HD2 PRO 53 HD2 PRO 53 6.401 10.176 2.186
423 HD3 PRO 53 HD3 PRO 53 6.860 11.632 1.280
424 H TYR 54 H TYR 54 4.404 10.396 4.020
425 HA TYR 54 HA TYR 54 1.600 10.256 4.675
426 HB2 TYR 54 HB2 TYR 54 2.560 8.158 4.227
427 HB3 TYR 54 HB3 TYR 54 3.977 8.493 5.216
428 HD1 TYR 54 HD2 TYR 54 3.857 8.317 7.659
429 HD2 TYR 54 HD1 TYR 54 0.514 7.348 5.211
430 HE1 TYR 54 HE2 TYR 54 2.809 7.159 9.559
431 HE2 TYR 54 HE1 TYR 54 -0.544 6.189 7.105
432 HH TYR 54 HH TYR 54 0.918 6.214 10.322
433 H LEU 55 H LEU 55 4.357 11.645 6.066
434 HA LEU 55 HA LEU 55 3.068 11.744 8.712
435 HB2 LEU 55 HB2 LEU 55 5.955 12.350 8.144
436 HB3 LEU 55 HB3 LEU 55 5.194 12.036 9.702
437 HG LEU 55 HG LEU 55 5.271 9.892 7.618
438 HD11 LEU 55 HD11 LEU 55 7.469 10.179 9.624
439 HD12 LEU 55 HD12 LEU 55 7.581 10.978 8.056
440 HD13 LEU 55 HD13 LEU 55 7.421 9.224 8.142
441 HD21 LEU 55 HD21 LEU 55 5.320 9.864 10.634
442 HD22 LEU 55 HD22 LEU 55 5.261 8.449 9.582
443 HD23 LEU 55 HD23 LEU 55 3.905 9.577 9.622
444 H ILE 56 H ILE 56 5.444 13.761 6.984
445 HA ILE 56 HA ILE 56 3.750 16.097 7.587
446 HB ILE 56 HB ILE 56 5.883 15.993 8.911
447 HG12 ILE 56 HG12 ILE 56 5.547 18.293 6.973
448 HG13 ILE 56 HG13 ILE 56 4.738 18.114 8.525
449 HG21 ILE 56 HG21 ILE 56 7.060 15.132 6.673
450 HG22 ILE 56 HG22 ILE 56 7.424 16.851 6.538
451 HG23 ILE 56 HG23 ILE 56 7.941 15.950 7.962
452 HD11 ILE 56 HD11 ILE 56 7.263 17.981 9.358
453 HD12 ILE 56 HD12 ILE 56 7.496 18.957 7.907
454 HD13 ILE 56 HD13 ILE 56 6.392 19.502 9.170
455 H GLN 57 H GLN 57 3.870 17.864 6.080
456 HA GLN 57 HA GLN 57 4.161 16.925 3.346
457 HB2 GLN 57 HB2 GLN 57 2.668 19.037 4.715
458 HB3 GLN 57 HB3 GLN 57 3.375 19.561 3.192
459 HG2 GLN 57 HG2 GLN 57 1.234 18.805 2.646
460 HG3 GLN 57 HG3 GLN 57 2.318 17.502 2.160
461 HE21 GLN 57 HE21 GLN 57 1.819 15.534 2.805
462 HE22 GLN 57 HE22 GLN 57 0.744 15.130 4.096
463 HA PRO 58 HA PRO 58 7.869 19.010 2.283
464 HB2 PRO 58 HB2 PRO 58 7.285 20.240 -0.066
465 HB3 PRO 58 HB3 PRO 58 7.466 18.488 0.082
466 HG2 PRO 58 HG2 PRO 58 4.967 20.136 0.013
467 HG3 PRO 58 HG3 PRO 58 5.318 18.602 -0.803
468 HD2 PRO 58 HD2 PRO 58 3.860 18.740 1.475
469 HD3 PRO 58 HD3 PRO 58 4.902 17.355 1.090
470 H GLU 59 H GLU 59 5.079 21.160 1.716
471 HA GLU 59 HA GLU 59 6.502 23.574 1.936
472 HB2 GLU 59 HB2 GLU 59 3.635 22.781 2.052
473 HB3 GLU 59 HB3 GLU 59 4.063 24.371 2.666
474 HG2 GLU 59 HG2 GLU 59 5.273 24.694 0.432
475 HG3 GLU 59 HG3 GLU 59 4.349 23.295 -0.111
476 H ASP 60 H ASP 60 4.985 21.509 4.332
477 HA ASP 60 HA ASP 60 5.126 23.336 6.497
478 HB2 ASP 60 HB2 ASP 60 4.356 20.571 6.085
479 HB3 ASP 60 HB3 ASP 60 5.265 20.762 7.582
480 H LEU 61 H LEU 61 7.298 20.816 5.303
481 HA LEU 61 HA LEU 61 9.163 20.958 7.418
482 HB2 LEU 61 HB2 LEU 61 10.339 19.414 6.266
483 HB3 LEU 61 HB3 LEU 61 8.820 19.273 5.383
484 HG LEU 61 HG LEU 61 9.967 21.103 3.847
485 HD11 LEU 61 HD11 LEU 61 12.454 20.039 3.776
486 HD12 LEU 61 HD12 LEU 61 12.142 20.045 5.512
487 HD13 LEU 61 HD13 LEU 61 12.038 21.546 4.593
488 HD21 LEU 61 HD21 LEU 61 9.389 18.445 3.636
489 HD22 LEU 61 HD22 LEU 61 11.121 18.467 3.308
490 HD23 LEU 61 HD23 LEU 61 10.026 19.451 2.335
491 H ARG 62 H ARG 62 8.534 23.017 4.752
492 HA ARG 62 HA ARG 62 11.036 24.147 4.272
493 HB2 ARG 62 HB2 ARG 62 8.993 24.559 2.916
494 HB3 ARG 62 HB3 ARG 62 8.366 25.562 4.217
495 HG2 ARG 62 HG2 ARG 62 9.313 27.272 3.162
496 HG3 ARG 62 HG3 ARG 62 10.854 26.637 3.742
497 HD2 ARG 62 HD2 ARG 62 9.550 26.249 1.066
498 HD3 ARG 62 HD3 ARG 62 11.138 26.923 1.428
499 HE ARG 62 HE ARG 62 11.356 24.402 2.342
500 HH11 ARG 62 HH11 ARG 62 10.238 25.719 -0.681
501 HH12 ARG 62 HH12 ARG 62 10.735 24.345 -1.613
502 HH21 ARG 62 HH21 ARG 62 12.015 22.588 1.126
503 HH22 ARG 62 HH22 ARG 62 11.745 22.565 -0.584
504 H ASP 63 H ASP 63 8.599 24.951 6.707
505 HA ASP 63 HA ASP 63 9.921 27.220 7.751
506 HB2 ASP 63 HB2 ASP 63 7.545 26.786 8.165
507 HB3 ASP 63 HB3 ASP 63 7.960 25.347 9.093
508 H HIS 64 H HIS 64 10.071 23.786 8.528
509 HA HIS 64 HA HIS 64 11.497 23.884 10.906
510 HB2 HIS 64 HB2 HIS 64 10.607 21.794 10.127
511 HB3 HIS 64 HB3 HIS 64 11.584 21.860 8.664
512 HD1 HIS 64 HD1 HIS 64 12.855 19.702 9.082
513 HD2 HIS 64 HD2 HIS 64 13.168 22.420 12.209
514 HE1 HIS 64 HE1 HIS 64 14.645 18.786 10.593
515 H VAL 65 H VAL 65 12.645 24.111 7.581
516 HA VAL 65 HA VAL 65 15.390 23.898 8.039
517 HB VAL 65 HB VAL 65 14.075 25.652 5.961
518 HG11 VAL 65 HG11 VAL 65 16.285 24.619 4.801
519 HG12 VAL 65 HG12 VAL 65 16.241 26.179 5.625
520 HG13 VAL 65 HG13 VAL 65 16.830 24.749 6.473
521 HG21 VAL 65 HG21 VAL 65 14.761 23.325 4.700
522 HG22 VAL 65 HG22 VAL 65 14.179 22.744 6.260
523 HG23 VAL 65 HG23 VAL 65 13.138 23.745 5.248
524 H ASN 66 H ASN 66 13.279 26.747 8.095
525 HA ASN 66 HA ASN 66 15.301 28.655 8.536
526 HB2 ASN 66 HB2 ASN 66 13.256 29.549 7.838
527 HB3 ASN 66 HB3 ASN 66 12.336 28.613 9.013
528 HD21 ASN 66 HD21 ASN 66 14.961 31.005 8.990
529 HD22 ASN 66 HD22 ASN 66 14.329 31.959 10.285
530 H ASP 67 H ASP 67 13.666 26.446 10.656
531 HA ASP 67 HA ASP 67 14.232 27.744 13.109
532 HB2 ASP 67 HB2 ASP 67 12.623 25.737 12.531
533 HB3 ASP 67 HB3 ASP 67 14.035 24.764 12.934
534 H MET 68 H MET 68 16.143 25.874 10.942
535 HA MET 68 HA MET 68 18.098 24.965 12.793
536 HB2 MET 68 HB2 MET 68 18.172 25.364 9.802
537 HB3 MET 68 HB3 MET 68 19.509 24.677 10.715
538 HG2 MET 68 HG2 MET 68 18.345 22.745 11.220
539 HG3 MET 68 HG3 MET 68 16.777 23.494 10.931
540 HE1 MET 68 HE1 MET 68 19.891 22.321 7.863
541 HE2 MET 68 HE2 MET 68 19.466 24.029 7.752
542 HE3 MET 68 HE3 MET 68 20.077 23.369 9.269
543 H GLY 69 H GLY 69 17.381 28.029 11.567
544 HA2 GLY 69 HA2 GLY 69 18.417 30.006 12.337
545 HA3 GLY 69 HA3 GLY 69 19.863 29.077 12.703
546 H PHE 70 H PHE 70 19.228 27.929 9.813
547 HA PHE 70 HA PHE 70 20.770 30.031 8.447
548 HB2 PHE 70 HB2 PHE 70 20.580 27.147 7.586
549 HB3 PHE 70 HB3 PHE 70 21.764 28.353 7.091
550 HD1 PHE 70 HD2 PHE 70 23.266 29.310 8.989
551 HD2 PHE 70 HD1 PHE 70 21.120 25.643 9.245
552 HE1 PHE 70 HE2 PHE 70 24.788 28.547 10.765
553 HE2 PHE 70 HE1 PHE 70 22.638 24.875 11.022
554 HZ PHE 70 HZ PHE 70 24.475 26.328 11.785
555 H GLU 71 H GLU 71 20.361 30.310 6.133
556 HA GLU 71 HA GLU 71 17.493 30.073 5.565
557 HB2 GLU 71 HB2 GLU 71 19.481 31.751 4.044
558 HB3 GLU 71 HB3 GLU 71 17.730 31.903 4.072
559 HG2 GLU 71 HG2 GLU 71 18.315 33.631 5.433
560 HG3 GLU 71 HG3 GLU 71 18.118 32.346 6.624
561 H ALA 72 H ALA 72 16.776 28.694 4.083
562 HA ALA 72 HA ALA 72 18.703 27.610 2.132
563 HB1 ALA 72 HB1 ALA 72 17.894 26.039 3.963
564 HB2 ALA 72 HB2 ALA 72 16.323 26.093 3.161
565 HB3 ALA 72 HB3 ALA 72 17.733 25.477 2.298
566 H ALA 73 H ALA 73 18.073 27.440 0.020
567 HA ALA 73 HA ALA 73 15.344 28.307 -0.656
568 HB1 ALA 73 HB1 ALA 73 17.801 29.205 -2.149
569 HB2 ALA 73 HB2 ALA 73 16.137 29.734 -2.399
570 HB3 ALA 73 HB3 ALA 73 16.988 30.170 -0.917
571 H ILE 74 H ILE 74 14.396 27.288 -2.372
572 HA ILE 74 HA ILE 74 15.148 24.722 -3.057
573 HB ILE 74 HB ILE 74 13.503 26.623 -4.731
574 HG12 ILE 74 HG12 ILE 74 12.473 24.513 -2.844
575 HG13 ILE 74 HG13 ILE 74 12.813 26.150 -2.296
576 HG21 ILE 74 HG21 ILE 74 12.519 24.129 -5.191
577 HG22 ILE 74 HG22 ILE 74 13.662 24.970 -6.237
578 HG23 ILE 74 HG23 ILE 74 14.247 23.807 -5.047
579 HD11 ILE 74 HD11 ILE 74 11.252 26.427 -4.598
580 HD12 ILE 74 HD12 ILE 74 10.515 25.130 -3.657
581 HD13 ILE 74 HD13 ILE 74 10.774 26.714 -2.925
582 H LYS 75 H LYS 75 16.666 23.888 -4.322
583 HA LYS 75 HA LYS 75 18.619 25.376 -5.617
584 HB2 LYS 75 HB2 LYS 75 19.253 23.257 -6.729
585 HB3 LYS 75 HB3 LYS 75 18.990 23.064 -5.001
586 HG2 LYS 75 HG2 LYS 75 17.818 21.267 -5.674
587 HG3 LYS 75 HG3 LYS 75 16.535 22.459 -5.893
588 HD2 LYS 75 HD2 LYS 75 17.700 22.688 -8.275
589 HD3 LYS 75 HD3 LYS 75 18.174 21.027 -7.913
590 HE2 LYS 75 HE2 LYS 75 15.333 21.954 -7.631
591 HE3 LYS 75 HE3 LYS 75 15.975 21.407 -9.179
592 HZ1 LYS 75 HZ1 LYS 75 15.217 19.876 -6.868
593 HZ2 LYS 75 HZ2 LYS 75 16.737 19.450 -7.474
594 HZ3 LYS 75 HZ3 LYS 75 15.379 19.390 -8.481
595 H SER 76 H SER 76 15.573 24.117 -6.821
596 HA SER 76 HA SER 76 16.149 24.830 -9.559
597 HB2 SER 76 HB2 SER 76 14.718 23.022 -9.542
598 HB3 SER 76 HB3 SER 76 13.856 23.582 -8.110
599 HG SER 76 HG SER 76 13.577 24.423 -10.788
Start of MODEL 10
1 H1 ALA 1 H ALA 1 -1.450 3.376 -2.276
2 HA ALA 1 HA ALA 1 -0.690 1.234 -0.563
3 HB1 ALA 1 HB1 ALA 1 -1.631 -0.201 -2.212
4 HB2 ALA 1 HB2 ALA 1 -0.831 0.675 -3.518
5 HB3 ALA 1 HB3 ALA 1 0.123 -0.283 -2.386
6 H GLY 2 H GLY 2 1.528 1.116 -0.279
7 HA2 GLY 2 HA2 GLY 2 3.654 1.728 -1.721
8 HA3 GLY 2 HA3 GLY 2 3.015 3.343 -1.453
9 H HIS 3 H HIS 3 5.276 1.279 -0.401
10 HA HIS 3 HA HIS 3 5.085 2.156 2.402
11 HB2 HIS 3 HB2 HIS 3 6.244 -0.275 1.103
12 HB3 HIS 3 HB3 HIS 3 6.944 0.295 2.615
13 HD1 HIS 3 HD1 HIS 3 5.314 0.327 4.710
14 HD2 HIS 3 HD2 HIS 3 3.874 -1.643 1.347
15 HE1 HIS 3 HE1 HIS 3 3.380 -1.061 5.521
16 H MET 4 H MET 4 7.066 2.156 -0.467
17 HA MET 4 HA MET 4 9.117 3.713 0.962
18 HB2 MET 4 HB2 MET 4 10.580 3.135 -1.005
19 HB3 MET 4 HB3 MET 4 10.114 1.772 0.004
20 HG2 MET 4 HG2 MET 4 8.587 0.976 -1.589
21 HG3 MET 4 HG3 MET 4 8.614 2.490 -2.490
22 HE1 MET 4 HE1 MET 4 10.512 3.296 -3.984
23 HE2 MET 4 HE2 MET 4 11.744 3.163 -2.729
24 HE3 MET 4 HE3 MET 4 12.011 2.424 -4.309
25 H GLN 5 H GLN 5 6.966 5.176 0.426
26 HA GLN 5 HA GLN 5 7.355 6.501 -2.150
27 HB2 GLN 5 HB2 GLN 5 5.060 5.839 -1.180
28 HB3 GLN 5 HB3 GLN 5 5.265 7.219 -0.110
29 HG2 GLN 5 HG2 GLN 5 4.111 8.220 -1.782
30 HG3 GLN 5 HG3 GLN 5 5.749 8.462 -2.387
31 HE21 GLN 5 HE21 GLN 5 4.837 8.649 -4.487
32 HE22 GLN 5 HE22 GLN 5 4.387 7.240 -5.380
33 H GLU 6 H GLU 6 9.036 6.684 0.452
34 HA GLU 6 HA GLU 6 8.821 9.306 1.445
35 HB2 GLU 6 HB2 GLU 6 11.102 8.965 2.303
36 HB3 GLU 6 HB3 GLU 6 10.065 7.584 2.632
37 HG2 GLU 6 HG2 GLU 6 11.811 6.413 1.866
38 HG3 GLU 6 HG3 GLU 6 11.144 6.821 0.286
39 H ALA 7 H ALA 7 9.762 11.219 0.872
40 HA ALA 7 HA ALA 7 11.297 11.245 -1.644
41 HB1 ALA 7 HB1 ALA 7 9.927 13.718 -1.311
42 HB2 ALA 7 HB2 ALA 7 9.759 12.524 -2.600
43 HB3 ALA 7 HB3 ALA 7 8.764 12.402 -1.149
44 H VAL 8 H VAL 8 12.870 12.889 -1.865
45 HA VAL 8 HA VAL 8 13.646 14.182 0.668
46 HB VAL 8 HB VAL 8 15.588 13.258 -1.446
47 HG11 VAL 8 HG11 VAL 8 16.527 14.977 -0.119
48 HG12 VAL 8 HG12 VAL 8 15.878 14.284 1.368
49 HG13 VAL 8 HG13 VAL 8 17.178 13.462 0.505
50 HG21 VAL 8 HG21 VAL 8 14.231 11.740 0.650
51 HG22 VAL 8 HG22 VAL 8 15.125 11.175 -0.761
52 HG23 VAL 8 HG23 VAL 8 15.989 11.619 0.711
53 H VAL 9 H VAL 9 14.410 16.273 0.580
54 HA VAL 9 HA VAL 9 14.266 17.600 -2.049
55 HB VAL 9 HB VAL 9 13.468 18.835 0.590
56 HG11 VAL 9 HG11 VAL 9 14.339 20.394 -1.118
57 HG12 VAL 9 HG12 VAL 9 13.089 19.833 -2.231
58 HG13 VAL 9 HG13 VAL 9 12.638 20.668 -0.744
59 HG21 VAL 9 HG21 VAL 9 11.797 17.641 -1.612
60 HG22 VAL 9 HG22 VAL 9 11.829 17.187 0.092
61 HG23 VAL 9 HG23 VAL 9 11.152 18.741 -0.394
62 H LYS 10 H LYS 10 15.938 18.868 -2.605
63 HA LYS 10 HA LYS 10 18.078 19.226 -0.618
64 HB2 LYS 10 HB2 LYS 10 19.506 19.622 -2.695
65 HB3 LYS 10 HB3 LYS 10 18.934 17.981 -2.427
66 HG2 LYS 10 HG2 LYS 10 17.245 19.732 -4.110
67 HG3 LYS 10 HG3 LYS 10 18.784 19.196 -4.788
68 HD2 LYS 10 HD2 LYS 10 17.834 16.877 -3.739
69 HD3 LYS 10 HD3 LYS 10 16.334 17.676 -4.217
70 HE2 LYS 10 HE2 LYS 10 17.022 17.830 -6.471
71 HE3 LYS 10 HE3 LYS 10 18.690 17.425 -6.068
72 HZ1 LYS 10 HZ1 LYS 10 18.231 15.229 -5.974
73 HZ2 LYS 10 HZ2 LYS 10 16.986 15.659 -7.035
74 HZ3 LYS 10 HZ3 LYS 10 16.659 15.449 -5.388
75 H LEU 11 H LEU 11 18.695 21.214 -0.019
76 HA LEU 11 HA LEU 11 17.670 23.505 -1.561
77 HB2 LEU 11 HB2 LEU 11 17.883 23.219 1.432
78 HB3 LEU 11 HB3 LEU 11 17.488 24.719 0.596
79 HG LEU 11 HG LEU 11 15.529 23.263 -0.395
80 HD11 LEU 11 HD11 LEU 11 16.696 21.411 1.313
81 HD12 LEU 11 HD12 LEU 11 15.104 21.304 0.561
82 HD13 LEU 11 HD13 LEU 11 15.270 21.981 2.181
83 HD21 LEU 11 HD21 LEU 11 14.470 23.817 2.085
84 HD22 LEU 11 HD22 LEU 11 14.585 24.943 0.732
85 HD23 LEU 11 HD23 LEU 11 15.838 24.925 1.974
86 H ARG 12 H ARG 12 18.990 25.326 -1.700
87 HA ARG 12 HA ARG 12 21.820 24.776 -1.308
88 HB2 ARG 12 HB2 ARG 12 20.399 26.058 -3.301
89 HB3 ARG 12 HB3 ARG 12 21.124 27.390 -2.411
90 HG2 ARG 12 HG2 ARG 12 23.248 26.815 -2.998
91 HG3 ARG 12 HG3 ARG 12 22.862 25.099 -3.139
92 HD2 ARG 12 HD2 ARG 12 23.206 25.776 -5.343
93 HD3 ARG 12 HD3 ARG 12 21.452 25.785 -5.167
94 HE ARG 12 HE ARG 12 22.362 28.339 -4.551
95 HH11 ARG 12 HH11 ARG 12 22.261 26.197 -7.294
96 HH12 ARG 12 HH12 ARG 12 22.195 27.479 -8.457
97 HH21 ARG 12 HH21 ARG 12 22.276 30.035 -6.073
98 HH22 ARG 12 HH22 ARG 12 22.204 29.662 -7.762
99 H VAL 13 H VAL 13 22.849 25.411 0.458
100 HA VAL 13 HA VAL 13 21.655 27.413 2.200
101 HB VAL 13 HB VAL 13 24.253 26.040 2.784
102 HG11 VAL 13 HG11 VAL 13 23.021 27.885 4.185
103 HG12 VAL 13 HG12 VAL 13 22.051 26.517 4.735
104 HG13 VAL 13 HG13 VAL 13 23.798 26.518 4.982
105 HG21 VAL 13 HG21 VAL 13 21.592 24.784 2.539
106 HG22 VAL 13 HG22 VAL 13 23.200 24.077 2.385
107 HG23 VAL 13 HG23 VAL 13 22.519 24.378 3.983
108 H GLU 14 H GLU 14 22.319 29.458 2.350
109 HA GLU 14 HA GLU 14 24.743 30.232 0.883
110 HB2 GLU 14 HB2 GLU 14 22.254 31.232 0.612
111 HB3 GLU 14 HB3 GLU 14 22.871 32.311 1.856
112 HG2 GLU 14 HG2 GLU 14 24.900 32.572 0.261
113 HG3 GLU 14 HG3 GLU 14 23.789 31.952 -0.960
114 H GLY 15 H GLY 15 23.597 29.739 3.996
115 HA2 GLY 15 HA2 GLY 15 25.380 31.748 5.181
116 HA3 GLY 15 HA3 GLY 15 24.145 30.838 6.037
117 H MET 16 H MET 16 25.252 28.404 4.472
118 HA MET 16 HA MET 16 26.672 27.221 6.513
119 HB2 MET 16 HB2 MET 16 25.780 26.419 4.057
120 HB3 MET 16 HB3 MET 16 27.523 26.373 3.828
121 HG2 MET 16 HG2 MET 16 27.433 25.090 6.133
122 HG3 MET 16 HG3 MET 16 25.794 24.736 5.593
123 HE1 MET 16 HE1 MET 16 29.160 24.523 2.818
124 HE2 MET 16 HE2 MET 16 29.257 25.184 4.450
125 HE3 MET 16 HE3 MET 16 29.798 23.535 4.132
126 H THR 17 H THR 17 28.819 26.962 7.034
127 HA THR 17 HA THR 17 30.827 28.369 5.441
128 HB THR 17 HB THR 17 29.961 29.929 7.238
129 HG1 THR 17 HG1 THR 17 31.907 30.762 7.158
130 HG21 THR 17 HG21 THR 17 30.251 27.700 8.864
131 HG22 THR 17 HG22 THR 17 29.955 29.354 9.399
132 HG23 THR 17 HG23 THR 17 31.604 28.736 9.313
133 H CYS 18 H CYS 18 33.006 28.126 7.010
134 HA CYS 18 HA CYS 18 33.876 25.545 6.641
135 HB2 CYS 18 HB2 CYS 18 34.783 27.743 8.471
136 HB3 CYS 18 HB3 CYS 18 35.560 26.165 8.537
137 HG CYS 18 HG CYS 18 35.314 27.393 5.439
138 H GLN 19 H GLN 19 32.340 26.943 9.494
139 HA GLN 19 HA GLN 19 32.717 24.857 11.291
140 HB2 GLN 19 HB2 GLN 19 31.773 27.080 11.863
141 HB3 GLN 19 HB3 GLN 19 30.277 26.626 11.059
142 HG2 GLN 19 HG2 GLN 19 29.826 26.247 13.296
143 HG3 GLN 19 HG3 GLN 19 30.237 24.645 12.685
144 HE21 GLN 19 HE21 GLN 19 31.360 27.370 14.562
145 HE22 GLN 19 HE22 GLN 19 32.606 26.524 15.407
146 H SER 20 H SER 20 31.977 22.843 11.418
147 HA SER 20 HA SER 20 30.256 21.808 9.370
148 HB2 SER 20 HB2 SER 20 32.235 20.622 10.554
149 HB3 SER 20 HB3 SER 20 31.069 20.280 11.832
150 HG SER 20 HG SER 20 30.158 18.836 10.601
151 H CYS 21 H CYS 21 28.525 23.412 10.115
152 HA CYS 21 HA CYS 21 27.079 22.994 12.487
153 HB2 CYS 21 HB2 CYS 21 26.742 24.511 10.016
154 HB3 CYS 21 HB3 CYS 21 25.214 23.928 10.665
155 HG CYS 21 HG CYS 21 27.119 25.276 13.028
156 H VAL 22 H VAL 22 27.294 21.131 9.651
157 HA VAL 22 HA VAL 22 24.819 19.999 9.308
158 HB VAL 22 HB VAL 22 27.421 18.466 9.249
159 HG11 VAL 22 HG11 VAL 22 24.667 17.949 8.227
160 HG12 VAL 22 HG12 VAL 22 26.052 17.333 7.324
161 HG13 VAL 22 HG13 VAL 22 25.806 16.849 9.002
162 HG21 VAL 22 HG21 VAL 22 27.239 19.053 6.750
163 HG22 VAL 22 HG22 VAL 22 26.160 20.344 7.279
164 HG23 VAL 22 HG23 VAL 22 27.826 20.294 7.857
165 H SER 23 H SER 23 27.298 19.067 11.671
166 HA SER 23 HA SER 23 26.041 16.846 12.764
167 HB2 SER 23 HB2 SER 23 28.202 18.637 13.516
168 HB3 SER 23 HB3 SER 23 27.296 18.089 14.926
169 HG SER 23 HG SER 23 28.517 16.471 12.939
170 H SER 24 H SER 24 25.583 20.270 13.458
171 HA SER 24 HA SER 24 23.893 19.911 15.708
172 HB2 SER 24 HB2 SER 24 24.216 22.249 13.815
173 HB3 SER 24 HB3 SER 24 23.262 22.301 15.297
174 HG SER 24 HG SER 24 26.006 22.306 14.949
175 H ILE 25 H ILE 25 23.276 20.365 12.255
176 HA ILE 25 HA ILE 25 20.460 20.519 12.449
177 HB ILE 25 HB ILE 25 22.004 19.498 10.069
178 HG12 ILE 25 HG12 ILE 25 21.434 22.350 10.900
179 HG13 ILE 25 HG13 ILE 25 23.017 21.589 10.795
180 HG21 ILE 25 HG21 ILE 25 19.507 19.290 10.099
181 HG22 ILE 25 HG22 ILE 25 19.426 21.049 10.173
182 HG23 ILE 25 HG23 ILE 25 20.153 20.258 8.775
183 HD11 ILE 25 HD11 ILE 25 22.951 22.775 8.842
184 HD12 ILE 25 HD12 ILE 25 22.338 21.211 8.304
185 HD13 ILE 25 HD13 ILE 25 21.218 22.535 8.625
186 H GLU 26 H GLU 26 22.690 17.862 12.438
187 HA GLU 26 HA GLU 26 20.965 15.800 11.621
188 HB2 GLU 26 HB2 GLU 26 23.614 16.029 12.653
189 HB3 GLU 26 HB3 GLU 26 22.772 14.795 13.579
190 HG2 GLU 26 HG2 GLU 26 22.665 14.772 10.595
191 HG3 GLU 26 HG3 GLU 26 24.068 14.130 11.446
192 H GLY 27 H GLY 27 21.524 17.301 14.758
193 HA2 GLY 27 HA2 GLY 27 20.117 15.438 16.336
194 HA3 GLY 27 HA3 GLY 27 20.414 17.118 16.759
195 H LYS 28 H LYS 28 19.026 18.165 14.419
196 HA LYS 28 HA LYS 28 16.468 18.480 15.498
197 HB2 LYS 28 HB2 LYS 28 17.795 19.163 12.939
198 HB3 LYS 28 HB3 LYS 28 16.037 19.120 12.913
199 HG2 LYS 28 HG2 LYS 28 16.874 21.363 13.358
200 HG3 LYS 28 HG3 LYS 28 15.951 20.736 14.726
201 HD2 LYS 28 HD2 LYS 28 18.794 20.115 14.890
202 HD3 LYS 28 HD3 LYS 28 18.470 21.850 14.842
203 HE2 LYS 28 HE2 LYS 28 17.090 19.935 16.715
204 HE3 LYS 28 HE3 LYS 28 18.540 20.845 17.138
205 HZ1 LYS 28 HZ1 LYS 28 15.864 21.690 17.215
206 HZ2 LYS 28 HZ2 LYS 28 16.687 22.643 16.086
207 HZ3 LYS 28 HZ3 LYS 28 17.250 22.542 17.678
208 H VAL 29 H VAL 29 17.666 16.286 13.004
209 HA VAL 29 HA VAL 29 15.290 15.268 12.029
210 HB VAL 29 HB VAL 29 17.933 13.889 12.480
211 HG11 VAL 29 HG11 VAL 29 15.506 12.873 11.006
212 HG12 VAL 29 HG12 VAL 29 17.112 12.145 10.934
213 HG13 VAL 29 HG13 VAL 29 16.226 12.179 12.459
214 HG21 VAL 29 HG21 VAL 29 17.638 15.836 10.833
215 HG22 VAL 29 HG22 VAL 29 18.397 14.359 10.238
216 HG23 VAL 29 HG23 VAL 29 16.707 14.695 9.863
217 H ARG 30 H ARG 30 17.108 14.251 14.902
218 HA ARG 30 HA ARG 30 15.481 12.081 15.613
219 HB2 ARG 30 HB2 ARG 30 17.742 12.597 16.558
220 HB3 ARG 30 HB3 ARG 30 17.003 13.887 17.497
221 HG2 ARG 30 HG2 ARG 30 17.129 12.126 18.997
222 HG3 ARG 30 HG3 ARG 30 15.463 12.051 18.422
223 HD2 ARG 30 HD2 ARG 30 15.839 10.154 17.169
224 HD3 ARG 30 HD3 ARG 30 17.566 10.475 17.012
225 HE ARG 30 HE ARG 30 16.761 9.915 19.707
226 HH11 ARG 30 HH11 ARG 30 17.690 8.506 16.662
227 HH12 ARG 30 HH12 ARG 30 18.253 7.028 17.370
228 HH21 ARG 30 HH21 ARG 30 17.499 7.974 20.650
229 HH22 ARG 30 HH22 ARG 30 18.143 6.726 19.638
230 H LYS 31 H LYS 31 15.020 15.491 15.935
231 HA LYS 31 HA LYS 31 12.846 15.171 17.852
232 HB2 LYS 31 HB2 LYS 31 13.956 17.665 16.550
233 HB3 LYS 31 HB3 LYS 31 12.749 17.629 17.829
234 HG2 LYS 31 HG2 LYS 31 15.476 16.427 18.180
235 HG3 LYS 31 HG3 LYS 31 15.146 18.131 18.501
236 HD2 LYS 31 HD2 LYS 31 13.171 17.130 19.930
237 HD3 LYS 31 HD3 LYS 31 14.208 15.701 19.950
238 HE2 LYS 31 HE2 LYS 31 14.848 16.868 21.861
239 HE3 LYS 31 HE3 LYS 31 16.069 17.321 20.673
240 HZ1 LYS 31 HZ1 LYS 31 14.821 19.100 22.143
241 HZ2 LYS 31 HZ2 LYS 31 13.700 19.017 20.879
242 HZ3 LYS 31 HZ3 LYS 31 15.307 19.438 20.559
243 H LEU 32 H LEU 32 13.325 15.305 14.490
244 HA LEU 32 HA LEU 32 10.783 16.439 13.792
245 HB2 LEU 32 HB2 LEU 32 13.154 15.493 12.421
246 HB3 LEU 32 HB3 LEU 32 11.678 14.971 11.612
247 HG LEU 32 HG LEU 32 12.655 17.096 10.740
248 HD11 LEU 32 HD11 LEU 32 10.585 18.082 10.348
249 HD12 LEU 32 HD12 LEU 32 9.959 17.630 11.933
250 HD13 LEU 32 HD13 LEU 32 10.182 16.399 10.690
251 HD21 LEU 32 HD21 LEU 32 11.853 18.111 13.463
252 HD22 LEU 32 HD22 LEU 32 12.256 19.140 12.088
253 HD23 LEU 32 HD23 LEU 32 13.478 18.070 12.778
254 H GLN 33 H GLN 33 8.902 15.424 13.306
255 HA GLN 33 HA GLN 33 8.644 12.665 14.145
256 HB2 GLN 33 HB2 GLN 33 6.977 14.344 14.832
257 HB3 GLN 33 HB3 GLN 33 6.553 14.606 13.146
258 HG2 GLN 33 HG2 GLN 33 5.747 12.333 12.962
259 HG3 GLN 33 HG3 GLN 33 6.246 12.000 14.620
260 HE21 GLN 33 HE21 GLN 33 3.601 12.163 13.058
261 HE22 GLN 33 HE22 GLN 33 2.578 13.075 14.110
262 H GLY 34 H GLY 34 7.880 14.541 11.209
263 HA2 GLY 34 HA2 GLY 34 7.367 12.144 9.688
264 HA3 GLY 34 HA3 GLY 34 7.366 13.791 9.076
265 H VAL 35 H VAL 35 9.774 14.760 9.369
266 HA VAL 35 HA VAL 35 11.321 13.777 7.361
267 HB VAL 35 HB VAL 35 11.670 15.704 9.407
268 HG11 VAL 35 HG11 VAL 35 14.098 13.950 9.042
269 HG12 VAL 35 HG12 VAL 35 14.060 15.498 9.888
270 HG13 VAL 35 HG13 VAL 35 13.156 14.122 10.523
271 HG21 VAL 35 HG21 VAL 35 11.827 16.009 6.951
272 HG22 VAL 35 HG22 VAL 35 13.188 16.710 7.828
273 HG23 VAL 35 HG23 VAL 35 13.382 15.176 6.980
274 H VAL 36 H VAL 36 12.782 12.188 7.050
275 HA VAL 36 HA VAL 36 13.047 10.190 9.158
276 HB VAL 36 HB VAL 36 14.187 9.922 6.393
277 HG11 VAL 36 HG11 VAL 36 14.378 7.722 6.865
278 HG12 VAL 36 HG12 VAL 36 14.372 8.301 8.532
279 HG13 VAL 36 HG13 VAL 36 12.888 7.683 7.806
280 HG21 VAL 36 HG21 VAL 36 11.320 9.666 7.242
281 HG22 VAL 36 HG22 VAL 36 11.989 10.540 5.864
282 HG23 VAL 36 HG23 VAL 36 11.961 8.777 5.861
283 H ARG 37 H ARG 37 15.131 12.097 6.999
284 HA ARG 37 HA ARG 37 17.128 12.426 8.996
285 HB2 ARG 37 HB2 ARG 37 17.292 10.032 7.516
286 HB3 ARG 37 HB3 ARG 37 18.540 11.091 6.873
287 HG2 ARG 37 HG2 ARG 37 19.581 11.301 8.988
288 HG3 ARG 37 HG3 ARG 37 18.215 10.544 9.809
289 HD2 ARG 37 HD2 ARG 37 19.282 8.842 7.729
290 HD3 ARG 37 HD3 ARG 37 20.526 9.293 8.894
291 HE ARG 37 HE ARG 37 18.228 8.496 10.288
292 HH11 ARG 37 HH11 ARG 37 20.723 7.155 8.264
293 HH12 ARG 37 HH12 ARG 37 20.644 5.582 8.985
294 HH21 ARG 37 HH21 ARG 37 18.114 6.429 11.246
295 HH22 ARG 37 HH22 ARG 37 19.159 5.169 10.680
296 H VAL 38 H VAL 38 18.922 13.739 8.260
297 HA VAL 38 HA VAL 38 18.429 15.072 5.680
298 HB VAL 38 HB VAL 38 19.067 17.222 6.701
299 HG11 VAL 38 HG11 VAL 38 16.957 17.116 8.410
300 HG12 VAL 38 HG12 VAL 38 16.821 17.298 6.660
301 HG13 VAL 38 HG13 VAL 38 16.655 15.704 7.398
302 HG21 VAL 38 HG21 VAL 38 19.561 15.488 9.013
303 HG22 VAL 38 HG22 VAL 38 20.271 17.046 8.590
304 HG23 VAL 38 HG23 VAL 38 18.698 16.980 9.385
305 H LYS 39 H LYS 39 20.151 15.132 4.400
306 HA LYS 39 HA LYS 39 22.807 14.719 5.608
307 HB2 LYS 39 HB2 LYS 39 21.694 13.011 3.921
308 HB3 LYS 39 HB3 LYS 39 22.290 14.151 2.722
309 HG2 LYS 39 HG2 LYS 39 24.094 13.037 4.838
310 HG3 LYS 39 HG3 LYS 39 23.769 12.158 3.342
311 HD2 LYS 39 HD2 LYS 39 24.538 14.130 2.062
312 HD3 LYS 39 HD3 LYS 39 24.942 14.928 3.584
313 HE2 LYS 39 HE2 LYS 39 26.930 13.947 2.614
314 HE3 LYS 39 HE3 LYS 39 26.507 13.099 4.100
315 HZ1 LYS 39 HZ1 LYS 39 26.119 11.205 3.000
316 HZ2 LYS 39 HZ2 LYS 39 27.045 11.896 1.765
317 HZ3 LYS 39 HZ3 LYS 39 25.357 11.974 1.700
318 H VAL 40 H VAL 40 24.145 16.388 5.500
319 HA VAL 40 HA VAL 40 23.696 18.420 3.413
320 HB VAL 40 HB VAL 40 25.055 18.830 6.078
321 HG11 VAL 40 HG11 VAL 40 25.652 20.319 4.110
322 HG12 VAL 40 HG12 VAL 40 23.995 20.919 4.194
323 HG13 VAL 40 HG13 VAL 40 25.080 21.130 5.568
324 HG21 VAL 40 HG21 VAL 40 22.210 19.160 5.222
325 HG22 VAL 40 HG22 VAL 40 22.859 18.484 6.716
326 HG23 VAL 40 HG23 VAL 40 22.892 20.227 6.450
327 H SER 41 H SER 41 25.336 18.986 2.091
328 HA SER 41 HA SER 41 27.908 17.607 2.492
329 HB2 SER 41 HB2 SER 41 26.631 16.943 0.458
330 HB3 SER 41 HB3 SER 41 26.722 18.611 -0.107
331 HG SER 41 HG SER 41 29.057 18.351 0.041
332 H LEU 42 H LEU 42 29.288 18.991 3.410
333 HA LEU 42 HA LEU 42 29.181 21.804 3.117
334 HB2 LEU 42 HB2 LEU 42 30.900 21.878 4.603
335 HB3 LEU 42 HB3 LEU 42 30.294 20.256 4.930
336 HG LEU 42 HG LEU 42 32.666 20.138 4.897
337 HD11 LEU 42 HD11 LEU 42 32.577 18.218 3.797
338 HD12 LEU 42 HD12 LEU 42 32.570 19.069 2.252
339 HD13 LEU 42 HD13 LEU 42 31.049 18.721 3.074
340 HD21 LEU 42 HD21 LEU 42 33.099 20.973 2.132
341 HD22 LEU 42 HD22 LEU 42 34.013 21.355 3.591
342 HD23 LEU 42 HD23 LEU 42 32.563 22.278 3.192
343 H SER 43 H SER 43 30.572 19.308 1.212
344 HA SER 43 HA SER 43 32.589 20.882 -0.058
345 HB2 SER 43 HB2 SER 43 31.357 18.198 -0.567
346 HB3 SER 43 HB3 SER 43 32.357 18.943 -1.813
347 HG SER 43 HG SER 43 33.320 17.519 -0.018
348 H ASN 44 H ASN 44 29.214 20.187 -0.678
349 HA ASN 44 HA ASN 44 29.332 21.735 -3.170
350 HB2 ASN 44 HB2 ASN 44 28.213 19.372 -2.917
351 HB3 ASN 44 HB3 ASN 44 26.871 20.296 -2.247
352 HD21 ASN 44 HD21 ASN 44 25.455 21.136 -3.609
353 HD22 ASN 44 HD22 ASN 44 25.668 21.290 -5.317
354 H GLN 45 H GLN 45 28.867 22.292 0.000
355 HA GLN 45 HA GLN 45 27.811 23.879 1.248
356 HB2 GLN 45 HB2 GLN 45 27.758 25.351 -1.392
357 HB3 GLN 45 HB3 GLN 45 27.562 26.078 0.197
358 HG2 GLN 45 HG2 GLN 45 29.857 25.249 0.758
359 HG3 GLN 45 HG3 GLN 45 30.027 24.785 -0.934
360 HE21 GLN 45 HE21 GLN 45 30.844 26.237 -2.265
361 HE22 GLN 45 HE22 GLN 45 30.955 27.935 -1.969
362 H GLU 46 H GLU 46 26.114 21.860 0.350
363 HA GLU 46 HA GLU 46 23.589 23.347 0.100
364 HB2 GLU 46 HB2 GLU 46 22.793 22.050 -1.605
365 HB3 GLU 46 HB3 GLU 46 24.507 21.992 -1.992
366 HG2 GLU 46 HG2 GLU 46 24.533 19.862 -0.543
367 HG3 GLU 46 HG3 GLU 46 22.783 19.887 -0.757
368 H ALA 47 H ALA 47 21.690 22.061 0.825
369 HA ALA 47 HA ALA 47 22.403 20.093 2.894
370 HB1 ALA 47 HB1 ALA 47 21.960 22.373 3.848
371 HB2 ALA 47 HB2 ALA 47 20.299 22.212 3.275
372 HB3 ALA 47 HB3 ALA 47 20.932 21.084 4.475
373 H VAL 48 H VAL 48 21.291 18.258 2.747
374 HA VAL 48 HA VAL 48 18.868 18.226 1.078
375 HB VAL 48 HB VAL 48 20.488 15.808 1.849
376 HG11 VAL 48 HG11 VAL 48 18.069 16.250 0.399
377 HG12 VAL 48 HG12 VAL 48 19.289 15.594 -0.695
378 HG13 VAL 48 HG13 VAL 48 18.870 14.727 0.782
379 HG21 VAL 48 HG21 VAL 48 21.400 16.068 -0.544
380 HG22 VAL 48 HG22 VAL 48 20.926 17.759 -0.386
381 HG23 VAL 48 HG23 VAL 48 22.102 17.064 0.730
382 H ILE 49 H ILE 49 16.961 17.612 1.909
383 HA ILE 49 HA ILE 49 16.943 16.511 4.643
384 HB ILE 49 HB ILE 49 14.956 18.453 3.456
385 HG12 ILE 49 HG12 ILE 49 16.048 19.501 5.801
386 HG13 ILE 49 HG13 ILE 49 17.423 18.802 4.951
387 HG21 ILE 49 HG21 ILE 49 13.609 17.314 4.887
388 HG22 ILE 49 HG22 ILE 49 14.949 16.778 5.899
389 HG23 ILE 49 HG23 ILE 49 14.339 18.426 6.044
390 HD11 ILE 49 HD11 ILE 49 15.481 20.753 3.740
391 HD12 ILE 49 HD12 ILE 49 17.045 21.182 4.433
392 HD13 ILE 49 HD13 ILE 49 16.966 20.140 3.013
393 H THR 50 H THR 50 16.194 14.507 4.653
394 HA THR 50 HA THR 50 14.396 13.619 2.525
395 HB THR 50 HB THR 50 15.767 11.960 4.649
396 HG1 THR 50 HG1 THR 50 17.428 12.559 3.413
397 HG21 THR 50 HG21 THR 50 15.214 10.475 2.322
398 HG22 THR 50 HG22 THR 50 13.741 11.366 2.705
399 HG23 THR 50 HG23 THR 50 14.470 10.306 3.911
400 H TYR 51 H TYR 51 12.284 13.438 2.847
401 HA TYR 51 HA TYR 51 11.291 12.927 5.563
402 HB2 TYR 51 HB2 TYR 51 9.759 14.670 5.531
403 HB3 TYR 51 HB3 TYR 51 11.153 15.403 4.745
404 HD1 TYR 51 HD1 TYR 51 11.144 14.870 2.059
405 HD2 TYR 51 HD2 TYR 51 7.728 15.165 4.578
406 HE1 TYR 51 HE1 TYR 51 9.758 15.419 0.104
407 HE2 TYR 51 HE2 TYR 51 6.331 15.714 2.629
408 HH TYR 51 HH TYR 51 7.317 15.246 -0.528
409 H GLN 52 H GLN 52 8.809 12.478 5.409
410 HA GLN 52 HA GLN 52 8.337 10.739 3.077
411 HB2 GLN 52 HB2 GLN 52 8.763 9.766 5.529
412 HB3 GLN 52 HB3 GLN 52 7.041 10.092 5.674
413 HG2 GLN 52 HG2 GLN 52 6.471 8.531 4.085
414 HG3 GLN 52 HG3 GLN 52 8.056 8.582 3.314
415 HE21 GLN 52 HE21 GLN 52 6.186 6.523 4.753
416 HE22 GLN 52 HE22 GLN 52 7.308 5.600 5.687
417 HA PRO 53 HA PRO 53 4.704 13.173 2.466
418 HB2 PRO 53 HB2 PRO 53 3.433 11.508 0.739
419 HB3 PRO 53 HB3 PRO 53 4.819 12.500 0.272
420 HG2 PRO 53 HG2 PRO 53 4.729 9.602 1.019
421 HG3 PRO 53 HG3 PRO 53 5.620 10.392 -0.296
422 HD2 PRO 53 HD2 PRO 53 6.796 9.675 2.035
423 HD3 PRO 53 HD3 PRO 53 7.311 11.095 1.103
424 H TYR 54 H TYR 54 4.642 9.882 3.608
425 HA TYR 54 HA TYR 54 1.827 9.880 4.215
426 HB2 TYR 54 HB2 TYR 54 2.658 7.741 3.756
427 HB3 TYR 54 HB3 TYR 54 4.101 7.987 4.735
428 HD1 TYR 54 HD2 TYR 54 3.985 7.807 7.184
429 HD2 TYR 54 HD1 TYR 54 0.597 6.995 4.743
430 HE1 TYR 54 HE2 TYR 54 2.898 6.678 9.080
431 HE2 TYR 54 HE1 TYR 54 -0.501 5.865 6.632
432 HH TYR 54 HH TYR 54 0.939 5.843 9.848
433 H LEU 55 H LEU 55 4.618 11.103 5.691
434 HA LEU 55 HA LEU 55 3.323 11.154 8.332
435 HB2 LEU 55 HB2 LEU 55 6.198 11.794 7.727
436 HB3 LEU 55 HB3 LEU 55 5.467 11.490 9.301
437 HG LEU 55 HG LEU 55 5.537 9.341 7.214
438 HD11 LEU 55 HD11 LEU 55 7.840 10.395 7.643
439 HD12 LEU 55 HD12 LEU 55 7.676 8.647 7.812
440 HD13 LEU 55 HD13 LEU 55 7.713 9.672 9.247
441 HD21 LEU 55 HD21 LEU 55 5.399 9.413 10.222
442 HD22 LEU 55 HD22 LEU 55 5.638 7.936 9.287
443 HD23 LEU 55 HD23 LEU 55 4.154 8.872 9.096
444 H ILE 56 H ILE 56 5.645 13.258 6.633
445 HA ILE 56 HA ILE 56 3.906 15.545 7.292
446 HB ILE 56 HB ILE 56 5.939 15.529 8.692
447 HG12 ILE 56 HG12 ILE 56 5.929 17.735 6.620
448 HG13 ILE 56 HG13 ILE 56 4.863 17.656 8.018
449 HG21 ILE 56 HG21 ILE 56 7.722 16.243 6.471
450 HG22 ILE 56 HG22 ILE 56 8.028 15.267 7.907
451 HG23 ILE 56 HG23 ILE 56 7.218 14.553 6.512
452 HD11 ILE 56 HD11 ILE 56 6.448 19.030 8.857
453 HD12 ILE 56 HD12 ILE 56 7.188 17.487 9.286
454 HD13 ILE 56 HD13 ILE 56 7.728 18.355 7.850
455 H GLN 57 H GLN 57 3.965 17.328 5.828
456 HA GLN 57 HA GLN 57 4.310 16.487 3.082
457 HB2 GLN 57 HB2 GLN 57 2.855 18.595 4.501
458 HB3 GLN 57 HB3 GLN 57 3.575 19.139 2.992
459 HG2 GLN 57 HG2 GLN 57 2.469 17.194 1.870
460 HG3 GLN 57 HG3 GLN 57 1.613 16.897 3.382
461 HE21 GLN 57 HE21 GLN 57 0.911 19.322 4.241
462 HE22 GLN 57 HE22 GLN 57 -0.126 20.111 3.107
463 HA PRO 58 HA PRO 58 8.068 18.524 2.101
464 HB2 PRO 58 HB2 PRO 58 7.527 19.815 -0.225
465 HB3 PRO 58 HB3 PRO 58 7.675 18.057 -0.114
466 HG2 PRO 58 HG2 PRO 58 5.207 19.751 -0.168
467 HG3 PRO 58 HG3 PRO 58 5.538 18.229 -1.015
468 HD2 PRO 58 HD2 PRO 58 4.063 18.344 1.253
469 HD3 PRO 58 HD3 PRO 58 5.082 16.949 0.847
470 H GLU 59 H GLU 59 5.306 20.722 1.602
471 HA GLU 59 HA GLU 59 6.752 23.117 1.844
472 HB2 GLU 59 HB2 GLU 59 4.146 22.446 1.280
473 HB3 GLU 59 HB3 GLU 59 4.000 23.227 2.848
474 HG2 GLU 59 HG2 GLU 59 5.657 24.933 1.501
475 HG3 GLU 59 HG3 GLU 59 4.577 24.367 0.229
476 H ASP 60 H ASP 60 5.233 21.041 4.240
477 HA ASP 60 HA ASP 60 5.492 22.823 6.432
478 HB2 ASP 60 HB2 ASP 60 4.446 20.223 5.983
479 HB3 ASP 60 HB3 ASP 60 5.596 20.102 7.313
480 H LEU 61 H LEU 61 7.524 20.211 5.178
481 HA LEU 61 HA LEU 61 9.453 20.311 7.248
482 HB2 LEU 61 HB2 LEU 61 10.496 18.659 6.126
483 HB3 LEU 61 HB3 LEU 61 8.958 18.585 5.270
484 HG LEU 61 HG LEU 61 10.164 20.279 3.648
485 HD11 LEU 61 HD11 LEU 61 12.353 20.542 3.892
486 HD12 LEU 61 HD12 LEU 61 12.606 18.798 3.961
487 HD13 LEU 61 HD13 LEU 61 12.235 19.694 5.434
488 HD21 LEU 61 HD21 LEU 61 11.148 17.502 3.340
489 HD22 LEU 61 HD22 LEU 61 10.318 18.548 2.188
490 HD23 LEU 61 HD23 LEU 61 9.403 17.734 3.457
491 H ARG 62 H ARG 62 8.937 22.189 4.381
492 HA ARG 62 HA ARG 62 11.518 23.216 3.996
493 HB2 ARG 62 HB2 ARG 62 9.889 23.543 2.284
494 HB3 ARG 62 HB3 ARG 62 8.790 24.352 3.394
495 HG2 ARG 62 HG2 ARG 62 10.065 26.306 3.420
496 HG3 ARG 62 HG3 ARG 62 11.487 25.492 2.764
497 HD2 ARG 62 HD2 ARG 62 10.756 26.554 0.882
498 HD3 ARG 62 HD3 ARG 62 9.857 25.044 0.736
499 HE ARG 62 HE ARG 62 8.442 27.101 2.161
500 HH11 ARG 62 HH11 ARG 62 9.173 25.768 -0.971
501 HH12 ARG 62 HH12 ARG 62 7.746 26.405 -1.719
502 HH21 ARG 62 HH21 ARG 62 6.560 27.945 1.188
503 HH22 ARG 62 HH22 ARG 62 6.261 27.644 -0.491
504 H ASP 63 H ASP 63 8.840 24.336 6.022
505 HA ASP 63 HA ASP 63 10.090 26.711 6.911
506 HB2 ASP 63 HB2 ASP 63 7.635 26.193 7.068
507 HB3 ASP 63 HB3 ASP 63 8.011 25.097 8.395
508 H HIS 64 H HIS 64 10.314 23.388 7.909
509 HA HIS 64 HA HIS 64 11.430 23.827 10.478
510 HB2 HIS 64 HB2 HIS 64 10.608 21.673 10.217
511 HB3 HIS 64 HB3 HIS 64 11.288 21.498 8.602
512 HD1 HIS 64 HD1 HIS 64 13.062 22.309 11.866
513 HD2 HIS 64 HD2 HIS 64 13.021 19.432 8.869
514 HE1 HIS 64 HE1 HIS 64 14.947 20.738 12.416
515 H VAL 65 H VAL 65 12.824 23.433 7.262
516 HA VAL 65 HA VAL 65 15.517 23.210 8.002
517 HB VAL 65 HB VAL 65 14.412 24.492 5.499
518 HG11 VAL 65 HG11 VAL 65 16.512 24.770 4.836
519 HG12 VAL 65 HG12 VAL 65 17.054 24.266 6.438
520 HG13 VAL 65 HG13 VAL 65 16.874 23.073 5.151
521 HG21 VAL 65 HG21 VAL 65 15.242 21.626 5.916
522 HG22 VAL 65 HG22 VAL 65 13.570 22.185 5.965
523 HG23 VAL 65 HG23 VAL 65 14.505 22.331 4.477
524 H ASN 66 H ASN 66 13.590 26.082 7.179
525 HA ASN 66 HA ASN 66 15.696 27.939 7.527
526 HB2 ASN 66 HB2 ASN 66 12.824 28.026 7.011
527 HB3 ASN 66 HB3 ASN 66 13.365 29.348 8.040
528 HD21 ASN 66 HD21 ASN 66 13.032 30.905 6.489
529 HD22 ASN 66 HD22 ASN 66 14.026 31.053 5.084
530 H ASP 67 H ASP 67 13.506 26.385 9.726
531 HA ASP 67 HA ASP 67 13.580 28.143 11.888
532 HB2 ASP 67 HB2 ASP 67 12.253 25.916 11.521
533 HB3 ASP 67 HB3 ASP 67 13.637 25.177 12.322
534 H MET 68 H MET 68 16.018 26.056 10.617
535 HA MET 68 HA MET 68 17.616 25.827 12.952
536 HB2 MET 68 HB2 MET 68 18.235 25.522 10.017
537 HB3 MET 68 HB3 MET 68 19.441 25.268 11.272
538 HG2 MET 68 HG2 MET 68 16.922 23.806 11.642
539 HG3 MET 68 HG3 MET 68 17.875 23.332 10.237
540 HE1 MET 68 HE1 MET 68 19.922 23.528 14.353
541 HE2 MET 68 HE2 MET 68 19.776 24.869 13.217
542 HE3 MET 68 HE3 MET 68 18.347 24.265 14.058
543 H GLY 69 H GLY 69 16.955 28.431 10.905
544 HA2 GLY 69 HA2 GLY 69 17.675 30.633 11.246
545 HA3 GLY 69 HA3 GLY 69 19.000 30.025 12.227
546 H PHE 70 H PHE 70 18.657 28.386 9.280
547 HA PHE 70 HA PHE 70 21.069 29.675 8.272
548 HB2 PHE 70 HB2 PHE 70 19.612 27.161 7.441
549 HB3 PHE 70 HB3 PHE 70 21.038 27.779 6.615
550 HD1 PHE 70 HD2 PHE 70 23.050 28.334 8.303
551 HD2 PHE 70 HD1 PHE 70 19.941 25.507 8.983
552 HE1 PHE 70 HE2 PHE 70 24.491 27.138 9.898
553 HE2 PHE 70 HE1 PHE 70 21.378 24.307 10.580
554 HZ PHE 70 HZ PHE 70 23.656 25.122 11.039
555 H GLU 71 H GLU 71 21.082 29.634 5.695
556 HA GLU 71 HA GLU 71 18.788 31.285 4.897
557 HB2 GLU 71 HB2 GLU 71 21.432 31.874 4.753
558 HB3 GLU 71 HB3 GLU 71 21.172 31.186 3.156
559 HG2 GLU 71 HG2 GLU 71 19.287 32.785 2.850
560 HG3 GLU 71 HG3 GLU 71 19.751 33.538 4.375
561 H ALA 72 H ALA 72 19.630 28.184 4.717
562 HA ALA 72 HA ALA 72 19.669 27.292 2.151
563 HB1 ALA 72 HB1 ALA 72 18.683 26.223 4.688
564 HB2 ALA 72 HB2 ALA 72 17.927 25.508 3.264
565 HB3 ALA 72 HB3 ALA 72 19.680 25.466 3.446
566 H ALA 73 H ALA 73 18.293 27.088 0.460
567 HA ALA 73 HA ALA 73 15.482 27.839 0.832
568 HB1 ALA 73 HB1 ALA 73 15.983 29.856 -0.026
569 HB2 ALA 73 HB2 ALA 73 17.496 29.294 -0.738
570 HB3 ALA 73 HB3 ALA 73 15.968 28.993 -1.565
571 H ILE 74 H ILE 74 14.061 27.062 -0.806
572 HA ILE 74 HA ILE 74 14.643 24.467 -1.712
573 HB ILE 74 HB ILE 74 12.468 26.333 -2.667
574 HG12 ILE 74 HG12 ILE 74 12.464 25.903 -0.219
575 HG13 ILE 74 HG13 ILE 74 11.049 25.242 -1.030
576 HG21 ILE 74 HG21 ILE 74 11.604 23.688 -2.821
577 HG22 ILE 74 HG22 ILE 74 12.016 24.754 -4.163
578 HG23 ILE 74 HG23 ILE 74 13.238 23.679 -3.484
579 HD11 ILE 74 HD11 ILE 74 11.543 23.164 -0.412
580 HD12 ILE 74 HD12 ILE 74 13.246 23.346 -0.835
581 HD13 ILE 74 HD13 ILE 74 12.660 23.909 0.730
582 H LYS 75 H LYS 75 15.778 23.796 -3.398
583 HA LYS 75 HA LYS 75 17.091 25.442 -5.200
584 HB2 LYS 75 HB2 LYS 75 17.492 23.396 -6.526
585 HB3 LYS 75 HB3 LYS 75 17.795 23.154 -4.811
586 HG2 LYS 75 HG2 LYS 75 16.442 21.407 -4.852
587 HG3 LYS 75 HG3 LYS 75 15.099 22.481 -5.251
588 HD2 LYS 75 HD2 LYS 75 15.256 20.712 -6.898
589 HD3 LYS 75 HD3 LYS 75 15.667 22.260 -7.641
590 HE2 LYS 75 HE2 LYS 75 17.862 21.700 -7.914
591 HE3 LYS 75 HE3 LYS 75 17.882 20.647 -6.500
592 HZ1 LYS 75 HZ1 LYS 75 16.162 19.421 -8.226
593 HZ2 LYS 75 HZ2 LYS 75 17.769 18.978 -7.942
594 HZ3 LYS 75 HZ3 LYS 75 17.390 19.995 -9.239
595 H SER 76 H SER 76 13.900 24.012 -5.383
596 HA SER 76 HA SER 76 13.510 25.304 -8.002
597 HB2 SER 76 HB2 SER 76 13.255 22.742 -7.774
598 HB3 SER 76 HB3 SER 76 11.752 23.108 -6.928
599 HG SER 76 HG SER 76 10.977 23.155 -8.888
Start of MODEL 11
1 H1 ALA 1 H ALA 1 2.007 0.127 -9.952
2 HA ALA 1 HA ALA 1 2.422 -1.652 -7.714
3 HB1 ALA 1 HB1 ALA 1 3.976 -2.214 -9.254
4 HB2 ALA 1 HB2 ALA 1 4.062 -0.584 -9.923
5 HB3 ALA 1 HB3 ALA 1 4.917 -0.971 -8.430
6 H GLY 2 H GLY 2 4.469 -1.006 -6.310
7 HA2 GLY 2 HA2 GLY 2 4.856 1.715 -5.652
8 HA3 GLY 2 HA3 GLY 2 3.657 1.020 -4.571
9 H HIS 3 H HIS 3 6.657 1.915 -4.479
10 HA HIS 3 HA HIS 3 7.570 -0.437 -2.956
11 HB2 HIS 3 HB2 HIS 3 9.385 1.566 -4.300
12 HB3 HIS 3 HB3 HIS 3 9.828 0.013 -3.595
13 HD1 HIS 3 HD1 HIS 3 10.294 0.971 -6.618
14 HD2 HIS 3 HD2 HIS 3 7.366 -1.641 -5.253
15 HE1 HIS 3 HE1 HIS 3 9.651 -0.420 -8.612
16 H MET 4 H MET 4 8.227 3.060 -3.261
17 HA MET 4 HA MET 4 7.935 3.314 -0.362
18 HB2 MET 4 HB2 MET 4 9.995 4.536 -0.111
19 HB3 MET 4 HB3 MET 4 10.353 2.985 -0.858
20 HG2 MET 4 HG2 MET 4 10.131 4.354 -3.079
21 HG3 MET 4 HG3 MET 4 10.464 5.720 -2.017
22 HE1 MET 4 HE1 MET 4 13.240 6.164 -3.357
23 HE2 MET 4 HE2 MET 4 12.342 6.638 -1.915
24 HE3 MET 4 HE3 MET 4 13.965 5.962 -1.762
25 H GLN 5 H GLN 5 6.841 5.092 0.211
26 HA GLN 5 HA GLN 5 6.118 6.983 -1.895
27 HB2 GLN 5 HB2 GLN 5 4.482 5.764 -0.240
28 HB3 GLN 5 HB3 GLN 5 4.949 7.056 0.858
29 HG2 GLN 5 HG2 GLN 5 4.289 8.669 -0.973
30 HG3 GLN 5 HG3 GLN 5 3.562 7.288 -1.793
31 HE21 GLN 5 HE21 GLN 5 2.319 9.700 -0.717
32 HE22 GLN 5 HE22 GLN 5 1.133 9.160 0.417
33 H GLU 6 H GLU 6 8.152 6.731 0.823
34 HA GLU 6 HA GLU 6 8.204 9.312 1.841
35 HB2 GLU 6 HB2 GLU 6 10.457 8.816 2.616
36 HB3 GLU 6 HB3 GLU 6 9.415 7.418 2.841
37 HG2 GLU 6 HG2 GLU 6 10.339 6.456 0.752
38 HG3 GLU 6 HG3 GLU 6 11.459 7.814 0.670
39 H ALA 7 H ALA 7 9.219 11.196 1.296
40 HA ALA 7 HA ALA 7 10.648 11.248 -1.280
41 HB1 ALA 7 HB1 ALA 7 9.020 12.494 -2.130
42 HB2 ALA 7 HB2 ALA 7 8.196 12.568 -0.573
43 HB3 ALA 7 HB3 ALA 7 9.440 13.753 -0.968
44 H VAL 8 H VAL 8 12.298 12.794 -1.493
45 HA VAL 8 HA VAL 8 13.170 14.028 1.039
46 HB VAL 8 HB VAL 8 15.033 13.065 -1.127
47 HG11 VAL 8 HG11 VAL 8 16.651 13.151 0.826
48 HG12 VAL 8 HG12 VAL 8 16.083 14.703 0.207
49 HG13 VAL 8 HG13 VAL 8 15.401 14.042 1.693
50 HG21 VAL 8 HG21 VAL 8 15.424 11.352 0.951
51 HG22 VAL 8 HG22 VAL 8 13.674 11.567 0.998
52 HG23 VAL 8 HG23 VAL 8 14.452 10.993 -0.477
53 H VAL 9 H VAL 9 13.960 16.098 0.974
54 HA VAL 9 HA VAL 9 13.849 17.463 -1.638
55 HB VAL 9 HB VAL 9 11.943 18.160 -0.319
56 HG11 VAL 9 HG11 VAL 9 13.897 19.037 1.804
57 HG12 VAL 9 HG12 VAL 9 12.137 19.160 1.860
58 HG13 VAL 9 HG13 VAL 9 12.913 17.576 1.891
59 HG21 VAL 9 HG21 VAL 9 12.295 20.546 -0.325
60 HG22 VAL 9 HG22 VAL 9 14.044 20.325 -0.276
61 HG23 VAL 9 HG23 VAL 9 13.133 19.834 -1.704
62 H LYS 10 H LYS 10 15.556 18.685 -2.190
63 HA LYS 10 HA LYS 10 17.708 18.975 -0.203
64 HB2 LYS 10 HB2 LYS 10 19.203 19.219 -2.203
65 HB3 LYS 10 HB3 LYS 10 18.441 17.642 -2.048
66 HG2 LYS 10 HG2 LYS 10 16.982 19.607 -3.683
67 HG3 LYS 10 HG3 LYS 10 18.526 19.053 -4.333
68 HD2 LYS 10 HD2 LYS 10 16.571 17.057 -3.276
69 HD3 LYS 10 HD3 LYS 10 16.321 17.756 -4.878
70 HE2 LYS 10 HE2 LYS 10 18.354 16.893 -5.685
71 HE3 LYS 10 HE3 LYS 10 18.947 16.545 -4.062
72 HZ1 LYS 10 HZ1 LYS 10 16.604 15.185 -5.269
73 HZ2 LYS 10 HZ2 LYS 10 17.417 14.765 -3.847
74 HZ3 LYS 10 HZ3 LYS 10 18.179 14.571 -5.345
75 H LEU 11 H LEU 11 18.454 20.948 0.326
76 HA LEU 11 HA LEU 11 17.459 23.250 -1.219
77 HB2 LEU 11 HB2 LEU 11 17.844 23.103 1.767
78 HB3 LEU 11 HB3 LEU 11 17.297 24.511 0.859
79 HG LEU 11 HG LEU 11 15.351 22.918 0.133
80 HD11 LEU 11 HD11 LEU 11 15.031 21.623 2.536
81 HD12 LEU 11 HD12 LEU 11 16.739 21.377 2.172
82 HD13 LEU 11 HD13 LEU 11 15.509 20.877 1.012
83 HD21 LEU 11 HD21 LEU 11 15.455 24.999 1.729
84 HD22 LEU 11 HD22 LEU 11 15.191 23.784 2.980
85 HD23 LEU 11 HD23 LEU 11 14.020 23.974 1.674
86 H ARG 12 H ARG 12 18.860 24.951 -1.546
87 HA ARG 12 HA ARG 12 21.673 24.325 -1.177
88 HB2 ARG 12 HB2 ARG 12 20.303 25.490 -3.229
89 HB3 ARG 12 HB3 ARG 12 20.949 26.902 -2.404
90 HG2 ARG 12 HG2 ARG 12 23.161 26.250 -2.767
91 HG3 ARG 12 HG3 ARG 12 22.702 24.587 -3.137
92 HD2 ARG 12 HD2 ARG 12 23.228 25.554 -5.212
93 HD3 ARG 12 HD3 ARG 12 21.466 25.538 -5.144
94 HE ARG 12 HE ARG 12 22.634 27.991 -4.210
95 HH11 ARG 12 HH11 ARG 12 21.531 26.226 -7.001
96 HH12 ARG 12 HH12 ARG 12 21.242 27.647 -7.948
97 HH21 ARG 12 HH21 ARG 12 22.257 29.870 -5.447
98 HH22 ARG 12 HH22 ARG 12 21.656 29.720 -7.064
99 H VAL 13 H VAL 13 22.779 25.011 0.522
100 HA VAL 13 HA VAL 13 21.738 27.247 2.103
101 HB VAL 13 HB VAL 13 24.092 25.646 2.991
102 HG11 VAL 13 HG11 VAL 13 21.692 26.588 4.542
103 HG12 VAL 13 HG12 VAL 13 23.276 26.115 5.161
104 HG13 VAL 13 HG13 VAL 13 23.098 27.608 4.239
105 HG21 VAL 13 HG21 VAL 13 22.218 24.131 4.071
106 HG22 VAL 13 HG22 VAL 13 21.331 24.602 2.620
107 HG23 VAL 13 HG23 VAL 13 22.882 23.775 2.476
108 H GLU 14 H GLU 14 22.728 29.166 2.209
109 HA GLU 14 HA GLU 14 25.278 29.466 0.781
110 HB2 GLU 14 HB2 GLU 14 23.017 30.810 0.312
111 HB3 GLU 14 HB3 GLU 14 23.672 31.839 1.578
112 HG2 GLU 14 HG2 GLU 14 25.502 31.081 -0.616
113 HG3 GLU 14 HG3 GLU 14 24.199 32.202 -1.003
114 H GLY 15 H GLY 15 24.044 29.266 3.867
115 HA2 GLY 15 HA2 GLY 15 26.185 30.971 4.974
116 HA3 GLY 15 HA3 GLY 15 24.700 30.563 5.820
117 H MET 16 H MET 16 25.670 27.839 4.234
118 HA MET 16 HA MET 16 26.539 26.593 6.673
119 HB2 MET 16 HB2 MET 16 25.139 25.617 4.666
120 HB3 MET 16 HB3 MET 16 26.727 25.236 4.015
121 HG2 MET 16 HG2 MET 16 26.770 24.378 6.677
122 HG3 MET 16 HG3 MET 16 25.207 23.882 6.032
123 HE1 MET 16 HE1 MET 16 28.681 23.568 6.425
124 HE2 MET 16 HE2 MET 16 28.981 21.903 5.925
125 HE3 MET 16 HE3 MET 16 29.340 23.233 4.823
126 H THR 17 H THR 17 28.125 28.499 4.558
127 HA THR 17 HA THR 17 30.452 27.279 3.788
128 HB THR 17 HB THR 17 31.559 29.459 3.935
129 HG1 THR 17 HG1 THR 17 29.317 30.063 5.558
130 HG21 THR 17 HG21 THR 17 29.876 28.948 2.130
131 HG22 THR 17 HG22 THR 17 30.139 30.663 2.447
132 HG23 THR 17 HG23 THR 17 28.699 29.861 3.073
133 H CYS 18 H CYS 18 29.507 28.270 7.005
134 HA CYS 18 HA CYS 18 32.141 27.785 8.108
135 HB2 CYS 18 HB2 CYS 18 29.504 28.636 9.282
136 HB3 CYS 18 HB3 CYS 18 30.860 28.187 10.309
137 HG CYS 18 HG CYS 18 31.754 30.585 10.380
138 H GLN 19 H GLN 19 32.291 25.550 7.436
139 HA GLN 19 HA GLN 19 30.569 23.498 8.076
140 HB2 GLN 19 HB2 GLN 19 33.589 23.373 8.130
141 HB3 GLN 19 HB3 GLN 19 32.499 22.005 7.954
142 HG2 GLN 19 HG2 GLN 19 31.760 22.793 5.815
143 HG3 GLN 19 HG3 GLN 19 32.675 24.287 6.004
144 HE21 GLN 19 HE21 GLN 19 33.327 23.295 3.805
145 HE22 GLN 19 HE22 GLN 19 34.767 22.342 3.828
146 H SER 20 H SER 20 29.619 23.346 10.022
147 HA SER 20 HA SER 20 30.974 22.290 12.222
148 HB2 SER 20 HB2 SER 20 30.471 24.431 13.714
149 HB3 SER 20 HB3 SER 20 32.004 24.246 12.862
150 HG SER 20 HG SER 20 29.796 25.871 12.223
151 H CYS 21 H CYS 21 28.326 24.577 11.541
152 HA CYS 21 HA CYS 21 26.567 23.587 13.496
153 HB2 CYS 21 HB2 CYS 21 26.453 25.465 11.272
154 HB3 CYS 21 HB3 CYS 21 24.944 24.584 11.473
155 HG CYS 21 HG CYS 21 26.440 26.184 14.091
156 H VAL 22 H VAL 22 27.552 22.280 10.514
157 HA VAL 22 HA VAL 22 25.361 20.924 9.553
158 HB VAL 22 HB VAL 22 28.199 19.896 9.703
159 HG11 VAL 22 HG11 VAL 22 27.092 18.851 7.436
160 HG12 VAL 22 HG12 VAL 22 27.272 17.992 8.967
161 HG13 VAL 22 HG13 VAL 22 25.744 18.778 8.570
162 HG21 VAL 22 HG21 VAL 22 26.773 21.765 7.879
163 HG22 VAL 22 HG22 VAL 22 28.431 21.817 8.477
164 HG23 VAL 22 HG23 VAL 22 27.991 20.687 7.196
165 H SER 23 H SER 23 27.581 19.897 12.127
166 HA SER 23 HA SER 23 26.350 17.402 12.609
167 HB2 SER 23 HB2 SER 23 28.485 18.973 13.759
168 HB3 SER 23 HB3 SER 23 27.499 18.251 15.030
169 HG SER 23 HG SER 23 27.756 16.238 13.773
170 H SER 24 H SER 24 25.821 20.626 13.920
171 HA SER 24 HA SER 24 24.051 19.853 15.993
172 HB2 SER 24 HB2 SER 24 25.078 22.006 16.146
173 HB3 SER 24 HB3 SER 24 24.474 22.479 14.558
174 HG SER 24 HG SER 24 23.158 23.403 16.098
175 H ILE 25 H ILE 25 23.555 20.872 12.645
176 HA ILE 25 HA ILE 25 20.750 21.020 12.710
177 HB ILE 25 HB ILE 25 22.526 20.322 10.368
178 HG12 ILE 25 HG12 ILE 25 21.353 23.019 10.623
179 HG13 ILE 25 HG13 ILE 25 22.587 22.626 11.815
180 HG21 ILE 25 HG21 ILE 25 19.688 20.397 10.626
181 HG22 ILE 25 HG22 ILE 25 20.203 21.716 9.576
182 HG23 ILE 25 HG23 ILE 25 20.662 20.057 9.196
183 HD11 ILE 25 HD11 ILE 25 22.899 23.407 9.099
184 HD12 ILE 25 HD12 ILE 25 24.136 23.120 10.323
185 HD13 ILE 25 HD13 ILE 25 23.569 21.791 9.313
186 H GLU 26 H GLU 26 22.950 18.324 12.251
187 HA GLU 26 HA GLU 26 21.101 16.440 11.287
188 HB2 GLU 26 HB2 GLU 26 23.829 16.454 12.187
189 HB3 GLU 26 HB3 GLU 26 22.990 15.076 12.887
190 HG2 GLU 26 HG2 GLU 26 23.199 13.982 10.984
191 HG3 GLU 26 HG3 GLU 26 22.254 15.222 10.162
192 H GLY 27 H GLY 27 21.997 17.399 14.565
193 HA2 GLY 27 HA2 GLY 27 20.603 15.365 15.935
194 HA3 GLY 27 HA3 GLY 27 21.057 16.925 16.604
195 H LYS 28 H LYS 28 19.522 18.318 14.451
196 HA LYS 28 HA LYS 28 17.115 18.677 15.855
197 HB2 LYS 28 HB2 LYS 28 18.412 19.824 13.587
198 HB3 LYS 28 HB3 LYS 28 16.750 19.463 13.141
199 HG2 LYS 28 HG2 LYS 28 17.034 21.742 14.014
200 HG3 LYS 28 HG3 LYS 28 15.920 20.774 14.983
201 HD2 LYS 28 HD2 LYS 28 17.489 22.128 16.346
202 HD3 LYS 28 HD3 LYS 28 17.620 20.394 16.647
203 HE2 LYS 28 HE2 LYS 28 19.748 20.349 15.977
204 HE3 LYS 28 HE3 LYS 28 19.386 21.272 14.519
205 HZ1 LYS 28 HZ1 LYS 28 20.947 22.423 15.981
206 HZ2 LYS 28 HZ2 LYS 28 19.795 22.439 17.220
207 HZ3 LYS 28 HZ3 LYS 28 19.514 23.303 15.793
208 H VAL 29 H VAL 29 17.935 16.690 13.064
209 HA VAL 29 HA VAL 29 15.390 15.959 12.221
210 HB VAL 29 HB VAL 29 17.744 15.368 11.248
211 HG11 VAL 29 HG11 VAL 29 18.228 13.977 13.352
212 HG12 VAL 29 HG12 VAL 29 17.189 12.756 12.613
213 HG13 VAL 29 HG13 VAL 29 18.654 13.288 11.786
214 HG21 VAL 29 HG21 VAL 29 16.746 13.613 9.902
215 HG22 VAL 29 HG22 VAL 29 15.463 13.399 11.092
216 HG23 VAL 29 HG23 VAL 29 15.577 14.904 10.179
217 H ARG 30 H ARG 30 17.266 14.847 14.953
218 HA ARG 30 HA ARG 30 15.767 12.519 15.527
219 HB2 ARG 30 HB2 ARG 30 18.051 13.104 16.435
220 HB3 ARG 30 HB3 ARG 30 17.250 14.230 17.523
221 HG2 ARG 30 HG2 ARG 30 15.998 12.387 18.519
222 HG3 ARG 30 HG3 ARG 30 16.792 11.255 17.422
223 HD2 ARG 30 HD2 ARG 30 17.884 11.196 19.574
224 HD3 ARG 30 HD3 ARG 30 18.971 11.904 18.379
225 HE ARG 30 HE ARG 30 17.751 14.058 19.489
226 HH11 ARG 30 HH11 ARG 30 19.483 11.329 20.783
227 HH12 ARG 30 HH12 ARG 30 20.080 12.195 22.160
228 HH21 ARG 30 HH21 ARG 30 18.531 15.208 21.298
229 HH22 ARG 30 HH22 ARG 30 19.538 14.401 22.452
230 H LYS 31 H LYS 31 15.112 15.852 15.942
231 HA LYS 31 HA LYS 31 13.099 15.401 18.001
232 HB2 LYS 31 HB2 LYS 31 13.237 17.613 18.455
233 HB3 LYS 31 HB3 LYS 31 14.757 17.495 17.577
234 HG2 LYS 31 HG2 LYS 31 13.848 19.280 16.511
235 HG3 LYS 31 HG3 LYS 31 13.189 17.985 15.508
236 HD2 LYS 31 HD2 LYS 31 11.207 18.957 15.911
237 HD3 LYS 31 HD3 LYS 31 11.317 18.169 17.486
238 HE2 LYS 31 HE2 LYS 31 10.781 20.479 17.830
239 HE3 LYS 31 HE3 LYS 31 12.441 20.209 18.359
240 HZ1 LYS 31 HZ1 LYS 31 12.555 22.156 17.133
241 HZ2 LYS 31 HZ2 LYS 31 11.480 21.610 15.947
242 HZ3 LYS 31 HZ3 LYS 31 13.051 20.987 16.015
243 H LEU 32 H LEU 32 13.341 15.539 14.610
244 HA LEU 32 HA LEU 32 10.685 16.469 14.070
245 HB2 LEU 32 HB2 LEU 32 12.950 15.389 12.502
246 HB3 LEU 32 HB3 LEU 32 11.342 15.208 11.803
247 HG LEU 32 HG LEU 32 12.421 17.186 10.925
248 HD11 LEU 32 HD11 LEU 32 10.379 18.216 12.855
249 HD12 LEU 32 HD12 LEU 32 9.925 17.103 11.565
250 HD13 LEU 32 HD13 LEU 32 10.649 18.662 11.170
251 HD21 LEU 32 HD21 LEU 32 13.846 17.486 13.027
252 HD22 LEU 32 HD22 LEU 32 12.464 18.359 13.688
253 HD23 LEU 32 HD23 LEU 32 13.258 18.942 12.225
254 H GLN 33 H GLN 33 8.843 15.333 13.816
255 HA GLN 33 HA GLN 33 8.873 12.543 14.621
256 HB2 GLN 33 HB2 GLN 33 6.416 12.767 14.667
257 HB3 GLN 33 HB3 GLN 33 7.217 13.995 15.640
258 HG2 GLN 33 HG2 GLN 33 6.966 15.559 13.698
259 HG3 GLN 33 HG3 GLN 33 5.957 14.333 12.933
260 HE21 GLN 33 HE21 GLN 33 3.862 14.313 13.389
261 HE22 GLN 33 HE22 GLN 33 3.101 15.206 14.657
262 H GLY 34 H GLY 34 7.793 14.483 11.847
263 HA2 GLY 34 HA2 GLY 34 7.001 12.173 10.331
264 HA3 GLY 34 HA3 GLY 34 7.092 13.826 9.743
265 H VAL 35 H VAL 35 9.569 14.596 9.810
266 HA VAL 35 HA VAL 35 10.864 13.511 7.685
267 HB VAL 35 HB VAL 35 11.469 15.499 9.471
268 HG11 VAL 35 HG11 VAL 35 13.632 15.109 10.399
269 HG12 VAL 35 HG12 VAL 35 12.591 13.777 10.904
270 HG13 VAL 35 HG13 VAL 35 13.755 13.542 9.600
271 HG21 VAL 35 HG21 VAL 35 12.843 16.233 7.822
272 HG22 VAL 35 HG22 VAL 35 13.641 14.671 7.637
273 HG23 VAL 35 HG23 VAL 35 12.050 14.939 6.924
274 H VAL 36 H VAL 36 12.325 11.903 7.278
275 HA VAL 36 HA VAL 36 12.484 9.789 9.277
276 HB VAL 36 HB VAL 36 13.633 9.608 6.509
277 HG11 VAL 36 HG11 VAL 36 13.444 7.308 6.777
278 HG12 VAL 36 HG12 VAL 36 13.919 7.857 8.385
279 HG13 VAL 36 HG13 VAL 36 12.234 7.455 8.051
280 HG21 VAL 36 HG21 VAL 36 11.394 8.672 5.828
281 HG22 VAL 36 HG22 VAL 36 10.740 9.369 7.310
282 HG23 VAL 36 HG23 VAL 36 11.442 10.418 6.079
283 H ARG 37 H ARG 37 14.667 11.729 7.255
284 HA ARG 37 HA ARG 37 16.675 11.783 9.279
285 HB2 ARG 37 HB2 ARG 37 18.388 10.502 8.236
286 HB3 ARG 37 HB3 ARG 37 16.957 9.482 8.287
287 HG2 ARG 37 HG2 ARG 37 16.501 10.097 5.926
288 HG3 ARG 37 HG3 ARG 37 18.034 10.971 5.905
289 HD2 ARG 37 HD2 ARG 37 19.195 8.872 6.496
290 HD3 ARG 37 HD3 ARG 37 17.652 8.023 6.410
291 HE ARG 37 HE ARG 37 17.963 9.306 3.986
292 HH11 ARG 37 HH11 ARG 37 19.660 6.889 5.829
293 HH12 ARG 37 HH12 ARG 37 20.295 6.082 4.433
294 HH21 ARG 37 HH21 ARG 37 18.793 8.253 2.140
295 HH22 ARG 37 HH22 ARG 37 19.801 6.859 2.335
296 H VAL 38 H VAL 38 18.495 13.118 8.698
297 HA VAL 38 HA VAL 38 18.051 14.741 6.279
298 HB VAL 38 HB VAL 38 18.835 15.759 9.013
299 HG11 VAL 38 HG11 VAL 38 18.832 17.981 7.988
300 HG12 VAL 38 HG12 VAL 38 20.046 16.933 7.251
301 HG13 VAL 38 HG13 VAL 38 18.528 17.253 6.411
302 HG21 VAL 38 HG21 VAL 38 16.474 16.752 7.509
303 HG22 VAL 38 HG22 VAL 38 16.355 15.175 8.289
304 HG23 VAL 38 HG23 VAL 38 16.728 16.607 9.248
305 H LYS 39 H LYS 39 19.760 14.852 4.987
306 HA LYS 39 HA LYS 39 22.409 14.219 6.113
307 HB2 LYS 39 HB2 LYS 39 21.676 12.517 4.545
308 HB3 LYS 39 HB3 LYS 39 21.331 13.740 3.330
309 HG2 LYS 39 HG2 LYS 39 23.706 14.294 3.207
310 HG3 LYS 39 HG3 LYS 39 24.054 13.070 4.430
311 HD2 LYS 39 HD2 LYS 39 24.522 12.015 2.389
312 HD3 LYS 39 HD3 LYS 39 22.923 11.417 2.839
313 HE2 LYS 39 HE2 LYS 39 21.900 13.089 1.359
314 HE3 LYS 39 HE3 LYS 39 23.505 13.652 0.896
315 HZ1 LYS 39 HZ1 LYS 39 22.774 10.820 0.550
316 HZ2 LYS 39 HZ2 LYS 39 23.935 11.730 -0.278
317 HZ3 LYS 39 HZ3 LYS 39 22.290 11.965 -0.597
318 H VAL 40 H VAL 40 23.862 15.797 6.091
319 HA VAL 40 HA VAL 40 23.423 18.080 4.279
320 HB VAL 40 HB VAL 40 24.910 18.056 6.910
321 HG11 VAL 40 HG11 VAL 40 25.815 19.964 6.223
322 HG12 VAL 40 HG12 VAL 40 24.906 19.895 4.712
323 HG13 VAL 40 HG13 VAL 40 24.198 20.662 6.135
324 HG21 VAL 40 HG21 VAL 40 23.013 19.433 7.714
325 HG22 VAL 40 HG22 VAL 40 22.175 19.110 6.197
326 HG23 VAL 40 HG23 VAL 40 22.546 17.784 7.299
327 H SER 41 H SER 41 24.935 18.548 2.813
328 HA SER 41 HA SER 41 27.497 17.106 2.971
329 HB2 SER 41 HB2 SER 41 25.930 16.635 1.017
330 HB3 SER 41 HB3 SER 41 26.277 18.274 0.468
331 HG SER 41 HG SER 41 27.910 16.021 0.508
332 H LEU 42 H LEU 42 28.977 18.428 3.826
333 HA LEU 42 HA LEU 42 28.915 21.257 3.585
334 HB2 LEU 42 HB2 LEU 42 30.850 21.277 4.875
335 HB3 LEU 42 HB3 LEU 42 29.990 19.836 5.414
336 HG LEU 42 HG LEU 42 32.241 19.753 3.415
337 HD11 LEU 42 HD11 LEU 42 33.754 19.942 5.026
338 HD12 LEU 42 HD12 LEU 42 32.918 18.756 6.027
339 HD13 LEU 42 HD13 LEU 42 32.460 20.457 6.108
340 HD21 LEU 42 HD21 LEU 42 30.529 17.776 4.799
341 HD22 LEU 42 HD22 LEU 42 32.238 17.373 4.631
342 HD23 LEU 42 HD23 LEU 42 31.268 17.718 3.198
343 H SER 43 H SER 43 30.410 18.697 1.753
344 HA SER 43 HA SER 43 32.280 20.320 0.352
345 HB2 SER 43 HB2 SER 43 32.834 18.405 -0.829
346 HB3 SER 43 HB3 SER 43 32.137 17.702 0.630
347 HG SER 43 HG SER 43 31.179 16.689 -1.081
348 H ASN 44 H ASN 44 28.921 19.507 -0.111
349 HA ASN 44 HA ASN 44 28.906 20.843 -2.722
350 HB2 ASN 44 HB2 ASN 44 27.574 18.568 -1.743
351 HB3 ASN 44 HB3 ASN 44 26.334 19.808 -1.911
352 HD21 ASN 44 HD21 ASN 44 28.932 18.155 -3.619
353 HD22 ASN 44 HD22 ASN 44 28.249 18.327 -5.197
354 H GLN 45 H GLN 45 28.573 21.657 0.428
355 HA GLN 45 HA GLN 45 27.552 23.334 1.588
356 HB2 GLN 45 HB2 GLN 45 27.674 24.589 -1.157
357 HB3 GLN 45 HB3 GLN 45 27.296 25.470 0.318
358 HG2 GLN 45 HG2 GLN 45 29.538 24.628 1.190
359 HG3 GLN 45 HG3 GLN 45 29.883 24.186 -0.481
360 HE21 GLN 45 HE21 GLN 45 31.651 25.703 -0.257
361 HE22 GLN 45 HE22 GLN 45 31.358 27.388 -0.502
362 H GLU 46 H GLU 46 25.786 21.321 0.740
363 HA GLU 46 HA GLU 46 23.315 22.889 0.461
364 HB2 GLU 46 HB2 GLU 46 22.431 21.526 -1.177
365 HB3 GLU 46 HB3 GLU 46 24.127 21.553 -1.638
366 HG2 GLU 46 HG2 GLU 46 24.254 19.418 -0.130
367 HG3 GLU 46 HG3 GLU 46 22.521 19.353 -0.443
368 H ALA 47 H ALA 47 21.365 21.613 1.155
369 HA ALA 47 HA ALA 47 22.025 19.698 3.290
370 HB1 ALA 47 HB1 ALA 47 20.128 22.032 3.493
371 HB2 ALA 47 HB2 ALA 47 20.263 20.743 4.689
372 HB3 ALA 47 HB3 ALA 47 21.636 21.805 4.379
373 H VAL 48 H VAL 48 20.937 17.855 3.118
374 HA VAL 48 HA VAL 48 18.513 17.810 1.448
375 HB VAL 48 HB VAL 48 20.244 15.452 2.188
376 HG11 VAL 48 HG11 VAL 48 18.247 14.530 1.546
377 HG12 VAL 48 HG12 VAL 48 17.855 15.863 0.458
378 HG13 VAL 48 HG13 VAL 48 19.053 14.658 -0.016
379 HG21 VAL 48 HG21 VAL 48 21.741 16.538 0.865
380 HG22 VAL 48 HG22 VAL 48 20.781 15.770 -0.400
381 HG23 VAL 48 HG23 VAL 48 20.497 17.459 0.020
382 H ILE 49 H ILE 49 16.616 17.322 2.344
383 HA ILE 49 HA ILE 49 16.614 16.109 5.031
384 HB ILE 49 HB ILE 49 14.676 18.159 3.951
385 HG12 ILE 49 HG12 ILE 49 15.825 19.101 6.301
386 HG13 ILE 49 HG13 ILE 49 17.170 18.356 5.444
387 HG21 ILE 49 HG21 ILE 49 13.349 16.915 5.353
388 HG22 ILE 49 HG22 ILE 49 14.692 16.463 6.401
389 HG23 ILE 49 HG23 ILE 49 14.017 18.090 6.485
390 HD11 ILE 49 HD11 ILE 49 16.799 20.804 5.017
391 HD12 ILE 49 HD12 ILE 49 16.891 19.779 3.584
392 HD13 ILE 49 HD13 ILE 49 15.325 20.347 4.163
393 H THR 50 H THR 50 15.806 14.128 4.982
394 HA THR 50 HA THR 50 13.932 13.376 2.867
395 HB THR 50 HB THR 50 15.330 11.621 4.894
396 HG1 THR 50 HG1 THR 50 16.844 11.301 3.361
397 HG21 THR 50 HG21 THR 50 13.945 10.014 4.212
398 HG22 THR 50 HG22 THR 50 14.582 10.198 2.578
399 HG23 THR 50 HG23 THR 50 13.168 11.122 3.082
400 H TYR 51 H TYR 51 11.822 13.282 3.233
401 HA TYR 51 HA TYR 51 10.867 12.678 5.943
402 HB2 TYR 51 HB2 TYR 51 9.429 14.491 6.048
403 HB3 TYR 51 HB3 TYR 51 10.825 15.199 5.243
404 HD1 TYR 51 HD1 TYR 51 10.695 14.794 2.538
405 HD2 TYR 51 HD2 TYR 51 7.389 15.118 5.196
406 HE1 TYR 51 HE1 TYR 51 9.264 15.494 0.664
407 HE2 TYR 51 HE2 TYR 51 5.948 15.817 3.329
408 HH TYR 51 HH TYR 51 6.801 15.458 0.117
409 H GLN 52 H GLN 52 8.373 12.332 5.835
410 HA GLN 52 HA GLN 52 7.745 10.788 3.406
411 HB2 GLN 52 HB2 GLN 52 7.478 10.045 6.291
412 HB3 GLN 52 HB3 GLN 52 6.328 9.395 5.130
413 HG2 GLN 52 HG2 GLN 52 7.980 8.222 3.972
414 HG3 GLN 52 HG3 GLN 52 9.282 9.161 4.700
415 HE21 GLN 52 HE21 GLN 52 6.496 7.477 6.099
416 HE22 GLN 52 HE22 GLN 52 7.418 6.466 7.153
417 HA PRO 53 HA PRO 53 4.149 13.337 3.194
418 HB2 PRO 53 HB2 PRO 53 2.727 11.834 1.437
419 HB3 PRO 53 HB3 PRO 53 4.112 12.821 0.956
420 HG2 PRO 53 HG2 PRO 53 3.980 9.881 1.502
421 HG3 PRO 53 HG3 PRO 53 4.814 10.739 0.193
422 HD2 PRO 53 HD2 PRO 53 6.105 9.826 2.391
423 HD3 PRO 53 HD3 PRO 53 6.606 11.296 1.531
424 H TYR 54 H TYR 54 4.142 10.056 4.263
425 HA TYR 54 HA TYR 54 1.341 9.993 4.948
426 HB2 TYR 54 HB2 TYR 54 2.205 7.876 4.420
427 HB3 TYR 54 HB3 TYR 54 3.659 8.127 5.380
428 HD1 TYR 54 HD2 TYR 54 3.596 7.877 7.819
429 HD2 TYR 54 HD1 TYR 54 0.158 7.108 5.433
430 HE1 TYR 54 HE2 TYR 54 2.556 6.696 9.709
431 HE2 TYR 54 HE1 TYR 54 -0.892 5.925 7.317
432 HH TYR 54 HH TYR 54 -0.771 5.616 9.594
433 H LEU 55 H LEU 55 4.163 11.234 6.349
434 HA LEU 55 HA LEU 55 2.921 11.270 9.018
435 HB2 LEU 55 HB2 LEU 55 5.812 11.811 8.387
436 HB3 LEU 55 HB3 LEU 55 5.086 11.518 9.967
437 HG LEU 55 HG LEU 55 5.085 9.395 7.847
438 HD11 LEU 55 HD11 LEU 55 7.174 8.575 8.560
439 HD12 LEU 55 HD12 LEU 55 7.243 9.701 9.915
440 HD13 LEU 55 HD13 LEU 55 7.415 10.297 8.264
441 HD21 LEU 55 HD21 LEU 55 3.645 9.144 9.835
442 HD22 LEU 55 HD22 LEU 55 5.074 9.270 10.861
443 HD23 LEU 55 HD23 LEU 55 4.906 7.913 9.747
444 H ILE 56 H ILE 56 5.320 13.304 7.344
445 HA ILE 56 HA ILE 56 3.670 15.647 8.036
446 HB ILE 56 HB ILE 56 5.768 15.482 9.380
447 HG12 ILE 56 HG12 ILE 56 5.649 17.817 7.458
448 HG13 ILE 56 HG13 ILE 56 4.672 17.648 8.912
449 HG21 ILE 56 HG21 ILE 56 7.827 15.309 8.480
450 HG22 ILE 56 HG22 ILE 56 6.947 14.629 7.113
451 HG23 ILE 56 HG23 ILE 56 7.425 16.326 7.097
452 HD11 ILE 56 HD11 ILE 56 7.536 18.335 8.615
453 HD12 ILE 56 HD12 ILE 56 6.318 18.981 9.716
454 HD13 ILE 56 HD13 ILE 56 7.052 17.410 10.036
455 H GLN 57 H GLN 57 3.846 17.475 6.602
456 HA GLN 57 HA GLN 57 4.098 16.638 3.835
457 HB2 GLN 57 HB2 GLN 57 2.724 18.772 5.294
458 HB3 GLN 57 HB3 GLN 57 3.447 19.313 3.785
459 HG2 GLN 57 HG2 GLN 57 1.261 18.689 3.238
460 HG3 GLN 57 HG3 GLN 57 2.276 17.358 2.685
461 HE21 GLN 57 HE21 GLN 57 1.433 15.454 3.073
462 HE22 GLN 57 HE22 GLN 57 0.453 15.023 4.429
463 HA PRO 58 HA PRO 58 7.906 18.569 2.833
464 HB2 PRO 58 HB2 PRO 58 7.378 19.912 0.533
465 HB3 PRO 58 HB3 PRO 58 7.470 18.149 0.617
466 HG2 PRO 58 HG2 PRO 58 5.058 19.922 0.619
467 HG3 PRO 58 HG3 PRO 58 5.328 18.402 -0.254
468 HD2 PRO 58 HD2 PRO 58 3.886 18.532 2.034
469 HD3 PRO 58 HD3 PRO 58 4.854 17.110 1.595
470 H GLU 59 H GLU 59 5.211 20.863 2.400
471 HA GLU 59 HA GLU 59 6.727 23.209 2.647
472 HB2 GLU 59 HB2 GLU 59 3.824 22.561 3.036
473 HB3 GLU 59 HB3 GLU 59 4.431 24.162 3.436
474 HG2 GLU 59 HG2 GLU 59 5.452 24.017 1.018
475 HG3 GLU 59 HG3 GLU 59 4.158 22.842 0.790
476 H ASP 60 H ASP 60 5.176 21.166 5.058
477 HA ASP 60 HA ASP 60 5.565 22.905 7.262
478 HB2 ASP 60 HB2 ASP 60 4.411 20.349 6.810
479 HB3 ASP 60 HB3 ASP 60 5.581 20.175 8.115
480 H LEU 61 H LEU 61 7.447 20.199 5.962
481 HA LEU 61 HA LEU 61 9.441 20.257 7.980
482 HB2 LEU 61 HB2 LEU 61 10.364 18.517 6.886
483 HB3 LEU 61 HB3 LEU 61 8.793 18.490 6.087
484 HG LEU 61 HG LEU 61 10.014 20.055 4.357
485 HD11 LEU 61 HD11 LEU 61 12.156 20.390 4.891
486 HD12 LEU 61 HD12 LEU 61 12.414 18.739 4.327
487 HD13 LEU 61 HD13 LEU 61 12.174 19.057 6.045
488 HD21 LEU 61 HD21 LEU 61 9.107 17.591 4.239
489 HD22 LEU 61 HD22 LEU 61 10.825 17.193 4.204
490 HD23 LEU 61 HD23 LEU 61 10.137 18.241 2.963
491 H ARG 62 H ARG 62 8.951 22.017 5.023
492 HA ARG 62 HA ARG 62 11.584 22.920 4.600
493 HB2 ARG 62 HB2 ARG 62 9.461 23.080 3.088
494 HB3 ARG 62 HB3 ARG 62 9.194 24.601 3.929
495 HG2 ARG 62 HG2 ARG 62 11.855 24.064 2.700
496 HG3 ARG 62 HG3 ARG 62 10.500 24.542 1.675
497 HD2 ARG 62 HD2 ARG 62 10.171 26.536 3.078
498 HD3 ARG 62 HD3 ARG 62 11.560 26.061 4.055
499 HE ARG 62 HE ARG 62 12.617 26.172 1.593
500 HH11 ARG 62 HH11 ARG 62 10.615 28.396 3.372
501 HH12 ARG 62 HH12 ARG 62 11.274 29.804 2.608
502 HH21 ARG 62 HH21 ARG 62 13.493 28.019 0.580
503 HH22 ARG 62 HH22 ARG 62 12.910 29.589 1.019
504 H ASP 63 H ASP 63 8.899 24.252 6.479
505 HA ASP 63 HA ASP 63 10.171 26.667 7.204
506 HB2 ASP 63 HB2 ASP 63 7.946 25.106 8.526
507 HB3 ASP 63 HB3 ASP 63 8.466 26.702 9.059
508 H HIS 64 H HIS 64 10.371 23.426 8.440
509 HA HIS 64 HA HIS 64 11.474 24.050 10.979
510 HB2 HIS 64 HB2 HIS 64 10.465 21.807 10.013
511 HB3 HIS 64 HB3 HIS 64 12.144 21.492 9.585
512 HD1 HIS 64 HD1 HIS 64 13.786 22.089 11.870
513 HD2 HIS 64 HD2 HIS 64 9.906 20.700 12.399
514 HE1 HIS 64 HE1 HIS 64 13.723 21.141 14.198
515 H VAL 65 H VAL 65 12.873 23.401 7.809
516 HA VAL 65 HA VAL 65 15.561 23.200 8.573
517 HB VAL 65 HB VAL 65 14.574 24.378 5.976
518 HG11 VAL 65 HG11 VAL 65 16.872 22.623 5.874
519 HG12 VAL 65 HG12 VAL 65 16.687 24.274 5.279
520 HG13 VAL 65 HG13 VAL 65 17.141 23.986 6.960
521 HG21 VAL 65 HG21 VAL 65 14.767 21.972 5.173
522 HG22 VAL 65 HG22 VAL 65 14.751 21.515 6.877
523 HG23 VAL 65 HG23 VAL 65 13.372 22.363 6.179
524 H ASN 66 H ASN 66 13.646 26.024 7.593
525 HA ASN 66 HA ASN 66 15.750 27.895 7.732
526 HB2 ASN 66 HB2 ASN 66 13.863 28.611 6.536
527 HB3 ASN 66 HB3 ASN 66 12.753 28.125 7.815
528 HD21 ASN 66 HD21 ASN 66 12.099 29.608 9.220
529 HD22 ASN 66 HD22 ASN 66 12.757 31.198 9.375
530 H ASP 67 H ASP 67 13.781 26.412 10.154
531 HA ASP 67 HA ASP 67 13.909 28.284 12.211
532 HB2 ASP 67 HB2 ASP 67 12.668 26.004 12.081
533 HB3 ASP 67 HB3 ASP 67 14.156 25.338 12.748
534 H MET 68 H MET 68 16.370 26.262 10.878
535 HA MET 68 HA MET 68 18.138 26.261 13.101
536 HB2 MET 68 HB2 MET 68 18.564 25.803 10.151
537 HB3 MET 68 HB3 MET 68 19.869 25.696 11.324
538 HG2 MET 68 HG2 MET 68 17.360 24.033 11.352
539 HG3 MET 68 HG3 MET 68 18.933 23.508 10.755
540 HE1 MET 68 HE1 MET 68 21.189 23.146 13.489
541 HE2 MET 68 HE2 MET 68 20.953 24.251 12.136
542 HE3 MET 68 HE3 MET 68 20.819 24.844 13.792
543 H GLY 69 H GLY 69 17.188 28.692 10.957
544 HA2 GLY 69 HA2 GLY 69 17.803 30.943 11.087
545 HA3 GLY 69 HA3 GLY 69 19.206 30.481 12.040
546 H PHE 70 H PHE 70 18.822 28.615 9.237
547 HA PHE 70 HA PHE 70 21.117 29.939 8.027
548 HB2 PHE 70 HB2 PHE 70 19.810 27.269 7.730
549 HB3 PHE 70 HB3 PHE 70 20.774 27.887 6.393
550 HD1 PHE 70 HD2 PHE 70 23.144 28.826 7.119
551 HD2 PHE 70 HD1 PHE 70 20.857 25.985 9.313
552 HE1 PHE 70 HE2 PHE 70 25.193 28.042 8.233
553 HE2 PHE 70 HE1 PHE 70 22.902 25.197 10.432
554 HZ PHE 70 HZ PHE 70 25.074 26.225 9.891
555 H GLU 71 H GLU 71 20.981 29.676 5.441
556 HA GLU 71 HA GLU 71 18.585 31.196 4.666
557 HB2 GLU 71 HB2 GLU 71 21.214 31.875 4.359
558 HB3 GLU 71 HB3 GLU 71 20.859 31.144 2.800
559 HG2 GLU 71 HG2 GLU 71 20.189 33.204 2.254
560 HG3 GLU 71 HG3 GLU 71 18.708 32.748 3.094
561 H ALA 72 H ALA 72 19.525 28.140 4.647
562 HA ALA 72 HA ALA 72 19.546 27.086 2.141
563 HB1 ALA 72 HB1 ALA 72 19.648 25.347 3.546
564 HB2 ALA 72 HB2 ALA 72 18.655 26.150 4.763
565 HB3 ALA 72 HB3 ALA 72 17.890 25.322 3.407
566 H ALA 73 H ALA 73 18.148 26.747 0.493
567 HA ALA 73 HA ALA 73 15.316 27.400 0.884
568 HB1 ALA 73 HB1 ALA 73 15.730 28.449 -1.585
569 HB2 ALA 73 HB2 ALA 73 15.692 29.387 -0.091
570 HB3 ALA 73 HB3 ALA 73 17.236 28.876 -0.772
571 H ILE 74 H ILE 74 13.898 26.453 -0.646
572 HA ILE 74 HA ILE 74 14.459 23.849 -1.388
573 HB ILE 74 HB ILE 74 12.438 25.707 -2.649
574 HG12 ILE 74 HG12 ILE 74 11.872 23.624 -0.558
575 HG13 ILE 74 HG13 ILE 74 12.421 25.231 -0.093
576 HG21 ILE 74 HG21 ILE 74 11.266 23.431 -3.026
577 HG22 ILE 74 HG22 ILE 74 12.551 23.927 -4.126
578 HG23 ILE 74 HG23 ILE 74 12.886 22.757 -2.850
579 HD11 ILE 74 HD11 ILE 74 10.432 25.929 -1.718
580 HD12 ILE 74 HD12 ILE 74 9.831 24.354 -1.197
581 HD13 ILE 74 HD13 ILE 74 10.199 25.597 -0.002
582 H LYS 75 H LYS 75 15.702 22.999 -2.909
583 HA LYS 75 HA LYS 75 17.213 24.432 -4.734
584 HB2 LYS 75 HB2 LYS 75 17.755 22.145 -4.079
585 HB3 LYS 75 HB3 LYS 75 16.313 21.549 -4.891
586 HG2 LYS 75 HG2 LYS 75 18.195 23.104 -6.548
587 HG3 LYS 75 HG3 LYS 75 18.751 21.522 -5.994
588 HD2 LYS 75 HD2 LYS 75 16.434 20.700 -6.830
589 HD3 LYS 75 HD3 LYS 75 16.424 22.206 -7.752
590 HE2 LYS 75 HE2 LYS 75 18.650 20.176 -7.850
591 HE3 LYS 75 HE3 LYS 75 17.312 20.229 -8.997
592 HZ1 LYS 75 HZ1 LYS 75 18.809 21.485 -10.115
593 HZ2 LYS 75 HZ2 LYS 75 19.593 22.028 -8.719
594 HZ3 LYS 75 HZ3 LYS 75 18.121 22.719 -9.184
595 H SER 76 H SER 76 14.526 22.269 -5.647
596 HA SER 76 HA SER 76 14.124 23.892 -8.053
597 HB2 SER 76 HB2 SER 76 14.430 21.395 -8.233
598 HB3 SER 76 HB3 SER 76 12.885 21.210 -7.404
599 HG SER 76 HG SER 76 11.894 22.313 -9.111
Start of MODEL 12
1 H1 ALA 1 H ALA 1 13.086 -4.186 2.780
2 HA ALA 1 HA ALA 1 10.303 -3.807 3.078
3 HB1 ALA 1 HB1 ALA 1 12.588 -2.958 4.852
4 HB2 ALA 1 HB2 ALA 1 10.884 -2.910 5.309
5 HB3 ALA 1 HB3 ALA 1 11.661 -4.455 4.960
6 H GLY 2 H GLY 2 9.534 -2.291 1.619
7 HA2 GLY 2 HA2 GLY 2 8.810 0.103 1.970
8 HA3 GLY 2 HA3 GLY 2 10.529 0.465 1.987
9 H HIS 3 H HIS 3 8.367 1.402 0.198
10 HA HIS 3 HA HIS 3 9.417 0.391 -2.362
11 HB2 HIS 3 HB2 HIS 3 6.721 1.530 -1.635
12 HB3 HIS 3 HB3 HIS 3 7.259 1.381 -3.305
13 HD1 HIS 3 HD1 HIS 3 7.904 -1.175 -4.024
14 HD2 HIS 3 HD2 HIS 3 5.524 -0.698 -0.653
15 HE1 HIS 3 HE1 HIS 3 6.828 -3.415 -3.638
16 H MET 4 H MET 4 10.450 2.557 -0.551
17 HA MET 4 HA MET 4 11.291 4.670 -0.682
18 HB2 MET 4 HB2 MET 4 11.318 3.739 -3.536
19 HB3 MET 4 HB3 MET 4 11.872 5.356 -3.121
20 HG2 MET 4 HG2 MET 4 13.855 4.308 -2.963
21 HG3 MET 4 HG3 MET 4 13.277 3.959 -1.335
22 HE1 MET 4 HE1 MET 4 13.848 2.408 -4.988
23 HE2 MET 4 HE2 MET 4 15.210 2.655 -3.894
24 HE3 MET 4 HE3 MET 4 14.697 1.018 -4.310
25 H GLN 5 H GLN 5 8.512 4.596 -0.422
26 HA GLN 5 HA GLN 5 7.286 6.374 -2.311
27 HB2 GLN 5 HB2 GLN 5 6.415 5.226 0.333
28 HB3 GLN 5 HB3 GLN 5 5.439 6.405 -0.533
29 HG2 GLN 5 HG2 GLN 5 4.827 4.933 -2.137
30 HG3 GLN 5 HG3 GLN 5 6.349 4.047 -2.063
31 HE21 GLN 5 HE21 GLN 5 4.456 2.391 -2.256
32 HE22 GLN 5 HE22 GLN 5 3.948 1.702 -0.756
33 H GLU 6 H GLU 6 9.245 6.763 0.444
34 HA GLU 6 HA GLU 6 8.268 9.210 1.447
35 HB2 GLU 6 HB2 GLU 6 11.155 8.342 1.494
36 HB3 GLU 6 HB3 GLU 6 10.322 9.381 2.642
37 HG2 GLU 6 HG2 GLU 6 8.933 7.451 3.318
38 HG3 GLU 6 HG3 GLU 6 9.886 6.431 2.242
39 H ALA 7 H ALA 7 8.735 11.315 0.970
40 HA ALA 7 HA ALA 7 10.076 11.774 -1.602
41 HB1 ALA 7 HB1 ALA 7 8.906 14.012 -1.477
42 HB2 ALA 7 HB2 ALA 7 7.864 12.600 -1.658
43 HB3 ALA 7 HB3 ALA 7 8.033 13.375 -0.083
44 H VAL 8 H VAL 8 11.742 13.221 -1.818
45 HA VAL 8 HA VAL 8 12.793 14.400 0.671
46 HB VAL 8 HB VAL 8 14.509 13.408 -1.602
47 HG11 VAL 8 HG11 VAL 8 15.171 14.166 1.242
48 HG12 VAL 8 HG12 VAL 8 16.317 13.603 0.023
49 HG13 VAL 8 HG13 VAL 8 15.491 15.148 -0.187
50 HG21 VAL 8 HG21 VAL 8 14.992 11.712 0.486
51 HG22 VAL 8 HG22 VAL 8 13.246 11.936 0.589
52 HG23 VAL 8 HG23 VAL 8 13.973 11.345 -0.906
53 H VAL 9 H VAL 9 13.665 16.447 0.557
54 HA VAL 9 HA VAL 9 13.398 17.832 -2.032
55 HB VAL 9 HB VAL 9 11.605 18.522 -0.511
56 HG11 VAL 9 HG11 VAL 9 13.818 19.448 1.317
57 HG12 VAL 9 HG12 VAL 9 12.088 19.687 1.565
58 HG13 VAL 9 HG13 VAL 9 12.768 18.060 1.602
59 HG21 VAL 9 HG21 VAL 9 12.401 20.163 -2.073
60 HG22 VAL 9 HG22 VAL 9 12.070 20.967 -0.538
61 HG23 VAL 9 HG23 VAL 9 13.732 20.602 -1.002
62 H LYS 10 H LYS 10 15.091 19.020 -2.693
63 HA LYS 10 HA LYS 10 17.387 19.230 -0.865
64 HB2 LYS 10 HB2 LYS 10 18.685 19.565 -3.036
65 HB3 LYS 10 HB3 LYS 10 18.042 17.956 -2.735
66 HG2 LYS 10 HG2 LYS 10 16.327 19.801 -4.280
67 HG3 LYS 10 HG3 LYS 10 17.791 19.214 -5.072
68 HD2 LYS 10 HD2 LYS 10 16.046 17.254 -3.662
69 HD3 LYS 10 HD3 LYS 10 15.519 17.882 -5.225
70 HE2 LYS 10 HE2 LYS 10 18.282 16.782 -4.835
71 HE3 LYS 10 HE3 LYS 10 16.916 15.722 -5.180
72 HZ1 LYS 10 HZ1 LYS 10 17.620 16.154 -7.280
73 HZ2 LYS 10 HZ2 LYS 10 18.223 17.688 -6.904
74 HZ3 LYS 10 HZ3 LYS 10 16.558 17.459 -7.100
75 H LEU 11 H LEU 11 18.126 21.174 -0.277
76 HA LEU 11 HA LEU 11 17.159 23.533 -1.753
77 HB2 LEU 11 HB2 LEU 11 17.388 23.107 1.214
78 HB3 LEU 11 HB3 LEU 11 17.253 24.709 0.491
79 HG LEU 11 HG LEU 11 15.093 23.597 -0.602
80 HD11 LEU 11 HD11 LEU 11 15.831 21.487 0.847
81 HD12 LEU 11 HD12 LEU 11 14.141 21.880 0.530
82 HD13 LEU 11 HD13 LEU 11 14.878 22.335 2.066
83 HD21 LEU 11 HD21 LEU 11 15.610 25.474 1.332
84 HD22 LEU 11 HD22 LEU 11 14.535 24.347 2.159
85 HD23 LEU 11 HD23 LEU 11 14.026 25.107 0.651
86 H ARG 12 H ARG 12 18.547 25.370 -1.753
87 HA ARG 12 HA ARG 12 21.361 24.633 -1.640
88 HB2 ARG 12 HB2 ARG 12 19.935 26.105 -3.438
89 HB3 ARG 12 HB3 ARG 12 20.645 27.373 -2.448
90 HG2 ARG 12 HG2 ARG 12 22.828 26.735 -2.990
91 HG3 ARG 12 HG3 ARG 12 22.309 25.161 -3.595
92 HD2 ARG 12 HD2 ARG 12 20.902 26.851 -5.197
93 HD3 ARG 12 HD3 ARG 12 22.381 27.774 -4.930
94 HE ARG 12 HE ARG 12 22.833 25.031 -5.673
95 HH11 ARG 12 HH11 ARG 12 22.290 28.269 -6.832
96 HH12 ARG 12 HH12 ARG 12 23.044 27.985 -8.366
97 HH21 ARG 12 HH21 ARG 12 23.828 24.646 -7.689
98 HH22 ARG 12 HH22 ARG 12 23.918 25.924 -8.853
99 H VAL 13 H VAL 13 22.560 25.050 0.083
100 HA VAL 13 HA VAL 13 21.635 27.029 2.031
101 HB VAL 13 HB VAL 13 24.018 25.292 2.511
102 HG11 VAL 13 HG11 VAL 13 21.793 25.943 4.410
103 HG12 VAL 13 HG12 VAL 13 23.475 25.541 4.761
104 HG13 VAL 13 HG13 VAL 13 23.068 27.112 4.069
105 HG21 VAL 13 HG21 VAL 13 21.218 24.367 2.180
106 HG22 VAL 13 HG22 VAL 13 22.734 23.524 1.862
107 HG23 VAL 13 HG23 VAL 13 22.150 23.695 3.517
108 H GLU 14 H GLU 14 22.497 28.989 2.072
109 HA GLU 14 HA GLU 14 25.101 29.416 0.781
110 HB2 GLU 14 HB2 GLU 14 22.621 30.877 0.778
111 HB3 GLU 14 HB3 GLU 14 23.915 31.899 1.386
112 HG2 GLU 14 HG2 GLU 14 24.335 30.330 -1.112
113 HG3 GLU 14 HG3 GLU 14 23.385 31.814 -1.159
114 H GLY 15 H GLY 15 23.795 29.006 3.789
115 HA2 GLY 15 HA2 GLY 15 25.622 30.902 5.095
116 HA3 GLY 15 HA3 GLY 15 24.285 30.067 5.872
117 H MET 16 H MET 16 25.601 27.721 4.103
118 HA MET 16 HA MET 16 26.629 26.247 6.192
119 HB2 MET 16 HB2 MET 16 26.040 25.379 3.923
120 HB3 MET 16 HB3 MET 16 27.542 26.063 3.317
121 HG2 MET 16 HG2 MET 16 28.306 24.543 5.508
122 HG3 MET 16 HG3 MET 16 27.069 23.579 4.703
123 HE1 MET 16 HE1 MET 16 30.637 25.007 4.626
124 HE2 MET 16 HE2 MET 16 31.114 24.872 2.933
125 HE3 MET 16 HE3 MET 16 29.902 26.060 3.416
126 H THR 17 H THR 17 28.643 25.889 7.061
127 HA THR 17 HA THR 17 30.853 27.578 6.117
128 HB THR 17 HB THR 17 30.884 27.307 9.007
129 HG1 THR 17 HG1 THR 17 28.571 27.445 8.628
130 HG21 THR 17 HG21 THR 17 30.860 29.943 8.559
131 HG22 THR 17 HG22 THR 17 31.271 29.393 6.935
132 HG23 THR 17 HG23 THR 17 32.293 28.950 8.302
133 H CYS 18 H CYS 18 32.787 26.935 7.880
134 HA CYS 18 HA CYS 18 33.219 24.108 7.296
135 HB2 CYS 18 HB2 CYS 18 35.199 26.086 8.433
136 HB3 CYS 18 HB3 CYS 18 35.549 24.527 7.697
137 HG CYS 18 HG CYS 18 34.354 27.281 6.053
138 H GLN 19 H GLN 19 31.493 25.206 9.521
139 HA GLN 19 HA GLN 19 32.913 24.218 11.875
140 HB2 GLN 19 HB2 GLN 19 31.413 26.376 11.710
141 HB3 GLN 19 HB3 GLN 19 30.101 25.232 11.965
142 HG2 GLN 19 HG2 GLN 19 30.530 25.832 14.115
143 HG3 GLN 19 HG3 GLN 19 31.609 24.446 13.965
144 HE21 GLN 19 HE21 GLN 19 31.358 27.758 14.620
145 HE22 GLN 19 HE22 GLN 19 33.044 28.109 14.752
146 H SER 20 H SER 20 31.454 22.737 9.490
147 HA SER 20 HA SER 20 30.177 20.863 9.192
148 HB2 SER 20 HB2 SER 20 30.651 19.112 11.073
149 HB3 SER 20 HB3 SER 20 31.974 19.640 10.032
150 HG SER 20 HG SER 20 32.820 20.783 11.651
151 H CYS 21 H CYS 21 28.596 22.856 10.129
152 HA CYS 21 HA CYS 21 27.183 22.314 12.497
153 HB2 CYS 21 HB2 CYS 21 27.071 24.222 10.409
154 HB3 CYS 21 HB3 CYS 21 25.461 23.527 10.547
155 HG CYS 21 HG CYS 21 26.262 26.016 12.108
156 H VAL 22 H VAL 22 27.190 20.723 9.493
157 HA VAL 22 HA VAL 22 24.613 19.810 9.156
158 HB VAL 22 HB VAL 22 27.174 18.266 8.727
159 HG11 VAL 22 HG11 VAL 22 24.342 17.723 7.887
160 HG12 VAL 22 HG12 VAL 22 25.723 17.047 7.021
161 HG13 VAL 22 HG13 VAL 22 25.468 16.652 8.721
162 HG21 VAL 22 HG21 VAL 22 25.511 19.851 6.774
163 HG22 VAL 22 HG22 VAL 22 27.010 20.416 7.512
164 HG23 VAL 22 HG23 VAL 22 27.028 19.018 6.437
165 H SER 23 H SER 23 27.145 18.463 11.247
166 HA SER 23 HA SER 23 25.822 16.203 12.154
167 HB2 SER 23 HB2 SER 23 28.148 17.702 12.899
168 HB3 SER 23 HB3 SER 23 27.254 17.276 14.359
169 HG SER 23 HG SER 23 27.268 15.095 13.598
170 H SER 24 H SER 24 25.574 19.542 13.255
171 HA SER 24 HA SER 24 23.956 19.001 15.522
172 HB2 SER 24 HB2 SER 24 24.361 21.526 13.906
173 HB3 SER 24 HB3 SER 24 23.432 21.459 15.403
174 HG SER 24 HG SER 24 25.531 20.408 16.195
175 H ILE 25 H ILE 25 23.232 19.903 12.179
176 HA ILE 25 HA ILE 25 20.438 20.171 12.519
177 HB ILE 25 HB ILE 25 21.865 19.395 9.976
178 HG12 ILE 25 HG12 ILE 25 21.332 22.149 11.113
179 HG13 ILE 25 HG13 ILE 25 22.910 21.385 10.960
180 HG21 ILE 25 HG21 ILE 25 19.138 19.817 10.608
181 HG22 ILE 25 HG22 ILE 25 19.670 21.163 9.601
182 HG23 ILE 25 HG23 ILE 25 19.862 19.505 9.030
183 HD11 ILE 25 HD11 ILE 25 23.110 22.270 8.949
184 HD12 ILE 25 HD12 ILE 25 21.715 21.336 8.409
185 HD13 ILE 25 HD13 ILE 25 21.490 22.956 9.067
186 H GLU 26 H GLU 26 22.504 17.431 12.227
187 HA GLU 26 HA GLU 26 20.690 15.554 11.175
188 HB2 GLU 26 HB2 GLU 26 23.337 15.528 12.023
189 HB3 GLU 26 HB3 GLU 26 22.528 14.428 13.131
190 HG2 GLU 26 HG2 GLU 26 21.503 13.589 10.784
191 HG3 GLU 26 HG3 GLU 26 23.089 14.153 10.260
192 H GLY 27 H GLY 27 21.337 16.626 14.478
193 HA2 GLY 27 HA2 GLY 27 19.734 14.698 15.785
194 HA3 GLY 27 HA3 GLY 27 20.224 16.249 16.450
195 H LYS 28 H LYS 28 18.944 17.639 14.118
196 HA LYS 28 HA LYS 28 16.512 18.293 15.297
197 HB2 LYS 28 HB2 LYS 28 17.973 19.076 13.007
198 HB3 LYS 28 HB3 LYS 28 16.352 18.679 12.455
199 HG2 LYS 28 HG2 LYS 28 16.450 21.013 12.974
200 HG3 LYS 28 HG3 LYS 28 15.438 20.206 14.174
201 HD2 LYS 28 HD2 LYS 28 18.266 20.337 14.910
202 HD3 LYS 28 HD3 LYS 28 17.504 21.919 14.729
203 HE2 LYS 28 HE2 LYS 28 15.603 20.623 16.137
204 HE3 LYS 28 HE3 LYS 28 17.045 19.803 16.733
205 HZ1 LYS 28 HZ1 LYS 28 16.194 21.971 17.865
206 HZ2 LYS 28 HZ2 LYS 28 17.031 22.735 16.610
207 HZ3 LYS 28 HZ3 LYS 28 17.854 21.708 17.672
208 H VAL 29 H VAL 29 17.265 15.899 12.822
209 HA VAL 29 HA VAL 29 14.714 15.228 11.977
210 HB VAL 29 HB VAL 29 16.922 14.342 11.087
211 HG11 VAL 29 HG11 VAL 29 16.608 12.035 12.938
212 HG12 VAL 29 HG12 VAL 29 18.044 12.624 12.098
213 HG13 VAL 29 HG13 VAL 29 17.442 13.474 13.523
214 HG21 VAL 29 HG21 VAL 29 15.322 13.310 9.903
215 HG22 VAL 29 HG22 VAL 29 15.700 11.909 10.905
216 HG23 VAL 29 HG23 VAL 29 14.351 12.962 11.334
217 H ARG 30 H ARG 30 16.393 14.361 14.925
218 HA ARG 30 HA ARG 30 14.687 12.271 15.750
219 HB2 ARG 30 HB2 ARG 30 16.948 12.764 16.702
220 HB3 ARG 30 HB3 ARG 30 16.252 14.160 17.514
221 HG2 ARG 30 HG2 ARG 30 15.074 12.877 19.012
222 HG3 ARG 30 HG3 ARG 30 15.043 11.471 17.945
223 HD2 ARG 30 HD2 ARG 30 16.537 10.980 19.734
224 HD3 ARG 30 HD3 ARG 30 17.511 11.262 18.292
225 HE ARG 30 HE ARG 30 17.407 13.692 19.521
226 HH11 ARG 30 HH11 ARG 30 18.372 10.491 20.492
227 HH12 ARG 30 HH12 ARG 30 19.555 11.051 21.627
228 HH21 ARG 30 HH21 ARG 30 18.962 14.441 21.012
229 HH22 ARG 30 HH22 ARG 30 19.890 13.298 21.923
230 H LYS 31 H LYS 31 14.370 15.714 15.802
231 HA LYS 31 HA LYS 31 12.139 15.628 17.679
232 HB2 LYS 31 HB2 LYS 31 13.276 18.018 16.222
233 HB3 LYS 31 HB3 LYS 31 12.191 18.040 17.606
234 HG2 LYS 31 HG2 LYS 31 14.962 16.876 17.693
235 HG3 LYS 31 HG3 LYS 31 14.588 18.550 18.110
236 HD2 LYS 31 HD2 LYS 31 13.100 16.303 19.412
237 HD3 LYS 31 HD3 LYS 31 14.706 16.756 19.988
238 HE2 LYS 31 HE2 LYS 31 12.379 18.654 19.713
239 HE3 LYS 31 HE3 LYS 31 12.857 17.867 21.216
240 HZ1 LYS 31 HZ1 LYS 31 15.053 18.944 20.966
241 HZ2 LYS 31 HZ2 LYS 31 13.788 20.048 21.163
242 HZ3 LYS 31 HZ3 LYS 31 14.460 19.797 19.631
243 H LEU 32 H LEU 32 12.708 15.508 14.331
244 HA LEU 32 HA LEU 32 10.242 16.705 13.483
245 HB2 LEU 32 HB2 LEU 32 12.505 15.293 12.199
246 HB3 LEU 32 HB3 LEU 32 10.960 15.256 11.353
247 HG LEU 32 HG LEU 32 12.426 17.051 10.548
248 HD11 LEU 32 HD11 LEU 32 10.685 18.416 10.175
249 HD12 LEU 32 HD12 LEU 32 10.339 18.617 11.892
250 HD13 LEU 32 HD13 LEU 32 9.765 17.184 11.039
251 HD21 LEU 32 HD21 LEU 32 13.721 17.655 12.407
252 HD22 LEU 32 HD22 LEU 32 12.301 17.916 13.421
253 HD23 LEU 32 HD23 LEU 32 12.675 19.046 12.118
254 H GLN 33 H GLN 33 8.321 15.755 13.051
255 HA GLN 33 HA GLN 33 7.926 13.058 14.040
256 HB2 GLN 33 HB2 GLN 33 5.530 13.534 13.717
257 HB3 GLN 33 HB3 GLN 33 6.325 14.768 14.685
258 HG2 GLN 33 HG2 GLN 33 6.511 16.149 12.605
259 HG3 GLN 33 HG3 GLN 33 5.490 14.956 11.805
260 HE21 GLN 33 HE21 GLN 33 5.602 17.659 13.879
261 HE22 GLN 33 HE22 GLN 33 3.908 17.781 14.193
262 H GLY 34 H GLY 34 7.483 14.831 10.993
263 HA2 GLY 34 HA2 GLY 34 6.808 12.363 9.600
264 HA3 GLY 34 HA3 GLY 34 6.812 13.981 8.914
265 H VAL 35 H VAL 35 9.299 14.897 9.320
266 HA VAL 35 HA VAL 35 10.816 13.925 7.283
267 HB VAL 35 HB VAL 35 11.245 15.734 9.435
268 HG11 VAL 35 HG11 VAL 35 13.656 15.414 9.813
269 HG12 VAL 35 HG12 VAL 35 12.698 14.072 10.442
270 HG13 VAL 35 HG13 VAL 35 13.580 13.893 8.924
271 HG21 VAL 35 HG21 VAL 35 12.773 16.775 7.886
272 HG22 VAL 35 HG22 VAL 35 12.881 15.291 6.939
273 HG23 VAL 35 HG23 VAL 35 11.364 16.188 7.002
274 H VAL 36 H VAL 36 12.128 12.240 6.902
275 HA VAL 36 HA VAL 36 12.339 10.189 8.964
276 HB VAL 36 HB VAL 36 13.392 9.900 6.169
277 HG11 VAL 36 HG11 VAL 36 13.562 7.729 6.671
278 HG12 VAL 36 HG12 VAL 36 13.362 8.230 8.352
279 HG13 VAL 36 HG13 VAL 36 11.966 7.688 7.420
280 HG21 VAL 36 HG21 VAL 36 11.242 10.675 5.680
281 HG22 VAL 36 HG22 VAL 36 11.075 8.919 5.671
282 HG23 VAL 36 HG23 VAL 36 10.529 9.849 7.066
283 H ARG 37 H ARG 37 14.454 12.061 6.812
284 HA ARG 37 HA ARG 37 16.535 12.164 8.755
285 HB2 ARG 37 HB2 ARG 37 16.524 9.861 7.170
286 HB3 ARG 37 HB3 ARG 37 17.741 10.900 6.442
287 HG2 ARG 37 HG2 ARG 37 18.696 11.161 8.783
288 HG3 ARG 37 HG3 ARG 37 17.647 9.816 9.237
289 HD2 ARG 37 HD2 ARG 37 19.461 9.577 6.871
290 HD3 ARG 37 HD3 ARG 37 20.101 9.357 8.500
291 HE ARG 37 HE ARG 37 17.959 7.721 8.477
292 HH11 ARG 37 HH11 ARG 37 20.654 8.121 6.309
293 HH12 ARG 37 HH12 ARG 37 20.662 6.464 5.804
294 HH21 ARG 37 HH21 ARG 37 17.959 5.537 7.820
295 HH22 ARG 37 HH22 ARG 37 19.128 4.995 6.663
296 H VAL 38 H VAL 38 18.374 13.430 8.030
297 HA VAL 38 HA VAL 38 17.835 14.986 5.588
298 HB VAL 38 HB VAL 38 18.868 16.137 8.183
299 HG11 VAL 38 HG11 VAL 38 18.772 18.258 7.126
300 HG12 VAL 38 HG12 VAL 38 19.629 17.184 6.019
301 HG13 VAL 38 HG13 VAL 38 17.940 17.596 5.719
302 HG21 VAL 38 HG21 VAL 38 16.699 17.270 8.335
303 HG22 VAL 38 HG22 VAL 38 16.144 16.393 6.909
304 HG23 VAL 38 HG23 VAL 38 16.521 15.516 8.391
305 H LYS 39 H LYS 39 19.478 14.989 4.212
306 HA LYS 39 HA LYS 39 22.175 14.397 5.245
307 HB2 LYS 39 HB2 LYS 39 20.646 13.265 3.054
308 HB3 LYS 39 HB3 LYS 39 22.192 13.894 2.499
309 HG2 LYS 39 HG2 LYS 39 22.152 12.187 4.932
310 HG3 LYS 39 HG3 LYS 39 21.939 11.422 3.356
311 HD2 LYS 39 HD2 LYS 39 24.205 11.347 3.443
312 HD3 LYS 39 HD3 LYS 39 24.040 12.979 2.792
313 HE2 LYS 39 HE2 LYS 39 24.686 13.964 4.734
314 HE3 LYS 39 HE3 LYS 39 23.975 12.701 5.738
315 HZ1 LYS 39 HZ1 LYS 39 26.412 12.252 4.118
316 HZ2 LYS 39 HZ2 LYS 39 25.814 11.308 5.388
317 HZ3 LYS 39 HZ3 LYS 39 26.476 12.832 5.706
318 H VAL 40 H VAL 40 23.598 15.992 5.093
319 HA VAL 40 HA VAL 40 23.111 18.126 3.120
320 HB VAL 40 HB VAL 40 24.729 18.372 5.655
321 HG11 VAL 40 HG11 VAL 40 25.308 19.971 3.913
322 HG12 VAL 40 HG12 VAL 40 23.613 20.440 3.763
323 HG13 VAL 40 HG13 VAL 40 24.494 20.777 5.254
324 HG21 VAL 40 HG21 VAL 40 22.566 17.995 6.456
325 HG22 VAL 40 HG22 VAL 40 22.694 19.753 6.392
326 HG23 VAL 40 HG23 VAL 40 21.820 18.886 5.130
327 H SER 41 H SER 41 24.666 18.642 1.683
328 HA SER 41 HA SER 41 27.183 17.120 1.834
329 HB2 SER 41 HB2 SER 41 25.645 16.647 -0.111
330 HB3 SER 41 HB3 SER 41 25.932 18.301 -0.654
331 HG SER 41 HG SER 41 28.289 17.514 -0.363
332 H LEU 42 H LEU 42 28.719 18.390 2.659
333 HA LEU 42 HA LEU 42 28.737 21.217 2.461
334 HB2 LEU 42 HB2 LEU 42 30.852 21.130 3.556
335 HB3 LEU 42 HB3 LEU 42 29.809 19.904 4.273
336 HG LEU 42 HG LEU 42 31.067 18.354 2.518
337 HD11 LEU 42 HD11 LEU 42 32.483 20.799 2.318
338 HD12 LEU 42 HD12 LEU 42 32.839 19.255 1.544
339 HD13 LEU 42 HD13 LEU 42 33.530 19.630 3.122
340 HD21 LEU 42 HD21 LEU 42 32.685 19.021 4.911
341 HD22 LEU 42 HD22 LEU 42 32.129 17.456 4.316
342 HD23 LEU 42 HD23 LEU 42 31.013 18.522 5.171
343 H SER 43 H SER 43 30.098 18.659 0.524
344 HA SER 43 HA SER 43 31.953 20.269 -0.915
345 HB2 SER 43 HB2 SER 43 32.046 17.759 -0.726
346 HB3 SER 43 HB3 SER 43 30.679 17.685 -1.838
347 HG SER 43 HG SER 43 32.096 19.013 -3.259
348 H ASN 44 H ASN 44 28.564 19.525 -1.272
349 HA ASN 44 HA ASN 44 28.482 20.912 -3.854
350 HB2 ASN 44 HB2 ASN 44 27.118 18.655 -2.834
351 HB3 ASN 44 HB3 ASN 44 25.915 19.928 -3.018
352 HD21 ASN 44 HD21 ASN 44 26.507 17.385 -4.500
353 HD22 ASN 44 HD22 ASN 44 26.584 17.862 -6.159
354 H GLN 45 H GLN 45 28.272 21.668 -0.679
355 HA GLN 45 HA GLN 45 27.325 23.341 0.548
356 HB2 GLN 45 HB2 GLN 45 27.117 24.789 -2.091
357 HB3 GLN 45 HB3 GLN 45 27.289 25.496 -0.490
358 HG2 GLN 45 HG2 GLN 45 29.535 24.401 -0.346
359 HG3 GLN 45 HG3 GLN 45 29.350 23.954 -2.041
360 HE21 GLN 45 HE21 GLN 45 30.877 25.181 -2.969
361 HE22 GLN 45 HE22 GLN 45 30.928 26.906 -2.903
362 H GLU 46 H GLU 46 25.494 21.378 -0.228
363 HA GLU 46 HA GLU 46 23.041 22.988 -0.422
364 HB2 GLU 46 HB2 GLU 46 22.061 21.601 -1.998
365 HB3 GLU 46 HB3 GLU 46 23.730 21.650 -2.548
366 HG2 GLU 46 HG2 GLU 46 23.889 19.515 -0.967
367 HG3 GLU 46 HG3 GLU 46 22.179 19.422 -1.382
368 H ALA 47 H ALA 47 21.097 21.749 0.351
369 HA ALA 47 HA ALA 47 21.804 19.840 2.477
370 HB1 ALA 47 HB1 ALA 47 19.934 20.965 3.818
371 HB2 ALA 47 HB2 ALA 47 21.481 21.803 3.700
372 HB3 ALA 47 HB3 ALA 47 20.124 22.315 2.698
373 H VAL 48 H VAL 48 20.668 18.018 2.389
374 HA VAL 48 HA VAL 48 18.208 17.983 0.774
375 HB VAL 48 HB VAL 48 19.828 15.568 1.565
376 HG11 VAL 48 HG11 VAL 48 17.446 16.087 -0.067
377 HG12 VAL 48 HG12 VAL 48 18.643 15.031 -0.821
378 HG13 VAL 48 HG13 VAL 48 17.963 14.614 0.753
379 HG21 VAL 48 HG21 VAL 48 20.618 15.766 -0.896
380 HG22 VAL 48 HG22 VAL 48 20.210 17.472 -0.713
381 HG23 VAL 48 HG23 VAL 48 21.415 16.736 0.343
382 H ILE 49 H ILE 49 16.314 17.507 1.696
383 HA ILE 49 HA ILE 49 16.339 16.404 4.429
384 HB ILE 49 HB ILE 49 14.326 18.373 3.339
385 HG12 ILE 49 HG12 ILE 49 15.744 19.476 5.510
386 HG13 ILE 49 HG13 ILE 49 16.959 18.783 4.442
387 HG21 ILE 49 HG21 ILE 49 14.527 16.766 5.793
388 HG22 ILE 49 HG22 ILE 49 14.106 18.461 6.032
389 HG23 ILE 49 HG23 ILE 49 13.111 17.444 4.990
390 HD11 ILE 49 HD11 ILE 49 14.804 20.559 3.374
391 HD12 ILE 49 HD12 ILE 49 16.269 21.223 4.096
392 HD13 ILE 49 HD13 ILE 49 16.379 20.177 2.680
393 H THR 50 H THR 50 15.497 14.437 4.469
394 HA THR 50 HA THR 50 13.564 13.649 2.417
395 HB THR 50 HB THR 50 14.993 11.906 4.434
396 HG1 THR 50 HG1 THR 50 16.127 11.299 2.369
397 HG21 THR 50 HG21 THR 50 13.474 10.391 3.797
398 HG22 THR 50 HG22 THR 50 14.281 10.390 2.229
399 HG23 THR 50 HG23 THR 50 12.878 11.423 2.498
400 H TYR 51 H TYR 51 11.468 13.566 2.858
401 HA TYR 51 HA TYR 51 10.602 13.005 5.605
402 HB2 TYR 51 HB2 TYR 51 9.104 14.812 5.691
403 HB3 TYR 51 HB3 TYR 51 10.571 15.508 5.011
404 HD1 TYR 51 HD1 TYR 51 10.609 15.194 2.285
405 HD2 TYR 51 HD2 TYR 51 7.150 15.552 4.736
406 HE1 TYR 51 HE1 TYR 51 9.329 16.009 0.349
407 HE2 TYR 51 HE2 TYR 51 5.860 16.366 2.807
408 HH TYR 51 HH TYR 51 6.896 16.078 -0.351
409 H GLN 52 H GLN 52 8.060 12.774 5.546
410 HA GLN 52 HA GLN 52 7.409 11.071 3.232
411 HB2 GLN 52 HB2 GLN 52 6.813 10.738 6.158
412 HB3 GLN 52 HB3 GLN 52 5.825 9.942 4.940
413 HG2 GLN 52 HG2 GLN 52 7.538 8.558 4.258
414 HG3 GLN 52 HG3 GLN 52 8.791 9.629 4.882
415 HE21 GLN 52 HE21 GLN 52 5.901 8.158 6.321
416 HE22 GLN 52 HE22 GLN 52 6.728 7.412 7.641
417 HA PRO 53 HA PRO 53 4.043 13.818 2.473
418 HB2 PRO 53 HB2 PRO 53 2.583 12.198 0.856
419 HB3 PRO 53 HB3 PRO 53 4.067 12.999 0.327
420 HG2 PRO 53 HG2 PRO 53 3.663 10.183 1.257
421 HG3 PRO 53 HG3 PRO 53 4.625 10.783 -0.105
422 HD2 PRO 53 HD2 PRO 53 5.732 10.090 2.267
423 HD3 PRO 53 HD3 PRO 53 6.394 11.382 1.246
424 H TYR 54 H TYR 54 3.486 10.526 3.598
425 HA TYR 54 HA TYR 54 0.752 11.025 4.343
426 HB2 TYR 54 HB2 TYR 54 1.631 8.739 5.698
427 HB3 TYR 54 HB3 TYR 54 0.740 8.794 4.181
428 HD1 TYR 54 HD1 TYR 54 4.060 8.421 5.707
429 HD2 TYR 54 HD2 TYR 54 1.846 8.395 2.075
430 HE1 TYR 54 HE1 TYR 54 5.976 7.396 4.554
431 HE2 TYR 54 HE2 TYR 54 3.754 7.369 0.911
432 HH TYR 54 HH TYR 54 6.634 6.339 2.658
433 H LEU 55 H LEU 55 3.697 11.849 5.669
434 HA LEU 55 HA LEU 55 2.631 11.872 8.410
435 HB2 LEU 55 HB2 LEU 55 5.474 12.177 7.455
436 HB3 LEU 55 HB3 LEU 55 4.949 12.177 9.137
437 HG LEU 55 HG LEU 55 5.049 9.877 7.207
438 HD11 LEU 55 HD11 LEU 55 6.210 10.397 9.938
439 HD12 LEU 55 HD12 LEU 55 7.082 10.273 8.411
440 HD13 LEU 55 HD13 LEU 55 6.296 8.850 9.095
441 HD21 LEU 55 HD21 LEU 55 4.071 8.699 9.378
442 HD22 LEU 55 HD22 LEU 55 3.030 9.329 8.100
443 HD23 LEU 55 HD23 LEU 55 3.297 10.272 9.568
444 H ILE 56 H ILE 56 5.046 13.884 6.747
445 HA ILE 56 HA ILE 56 3.501 16.256 7.569
446 HB ILE 56 HB ILE 56 5.582 16.015 8.873
447 HG12 ILE 56 HG12 ILE 56 5.647 18.317 6.910
448 HG13 ILE 56 HG13 ILE 56 4.656 18.249 8.363
449 HG21 ILE 56 HG21 ILE 56 6.692 15.044 6.610
450 HG22 ILE 56 HG22 ILE 56 7.311 16.694 6.594
451 HG23 ILE 56 HG23 ILE 56 7.617 15.652 7.982
452 HD11 ILE 56 HD11 ILE 56 7.026 17.839 9.484
453 HD12 ILE 56 HD12 ILE 56 7.554 18.736 8.060
454 HD13 ILE 56 HD13 ILE 56 6.388 19.453 9.172
455 H GLN 57 H GLN 57 3.617 18.098 6.193
456 HA GLN 57 HA GLN 57 3.789 17.385 3.396
457 HB2 GLN 57 HB2 GLN 57 2.557 19.513 4.985
458 HB3 GLN 57 HB3 GLN 57 3.253 20.084 3.474
459 HG2 GLN 57 HG2 GLN 57 0.988 19.565 3.047
460 HG3 GLN 57 HG3 GLN 57 1.958 18.295 2.303
461 HE21 GLN 57 HE21 GLN 57 0.952 16.432 2.470
462 HE22 GLN 57 HE22 GLN 57 0.119 15.842 3.864
463 HA PRO 58 HA PRO 58 7.646 19.189 2.347
464 HB2 PRO 58 HB2 PRO 58 7.107 20.636 0.114
465 HB3 PRO 58 HB3 PRO 58 7.126 18.868 0.132
466 HG2 PRO 58 HG2 PRO 58 4.793 20.738 0.273
467 HG3 PRO 58 HG3 PRO 58 4.973 19.242 -0.661
468 HD2 PRO 58 HD2 PRO 58 3.606 19.346 1.674
469 HD3 PRO 58 HD3 PRO 58 4.500 17.903 1.155
470 H GLU 59 H GLU 59 5.041 21.609 2.073
471 HA GLU 59 HA GLU 59 6.671 23.874 2.369
472 HB2 GLU 59 HB2 GLU 59 4.336 23.920 1.534
473 HB3 GLU 59 HB3 GLU 59 3.769 23.564 3.160
474 HG2 GLU 59 HG2 GLU 59 4.677 25.657 3.968
475 HG3 GLU 59 HG3 GLU 59 5.335 26.010 2.372
476 H ASP 60 H ASP 60 5.134 21.772 4.722
477 HA ASP 60 HA ASP 60 5.586 23.415 6.989
478 HB2 ASP 60 HB2 ASP 60 4.357 20.923 6.459
479 HB3 ASP 60 HB3 ASP 60 5.580 20.630 7.693
480 H LEU 61 H LEU 61 7.411 20.762 5.518
481 HA LEU 61 HA LEU 61 9.435 20.663 7.498
482 HB2 LEU 61 HB2 LEU 61 10.344 19.016 6.253
483 HB3 LEU 61 HB3 LEU 61 8.754 19.046 5.493
484 HG LEU 61 HG LEU 61 9.957 20.755 3.870
485 HD11 LEU 61 HD11 LEU 61 12.303 19.062 4.034
486 HD12 LEU 61 HD12 LEU 61 12.085 20.043 5.484
487 HD13 LEU 61 HD13 LEU 61 12.180 20.817 3.902
488 HD21 LEU 61 HD21 LEU 61 9.771 19.111 2.352
489 HD22 LEU 61 HD22 LEU 61 9.082 18.192 3.690
490 HD23 LEU 61 HD23 LEU 61 10.786 18.003 3.275
491 H ARG 62 H ARG 62 8.848 22.759 4.829
492 HA ARG 62 HA ARG 62 11.466 23.637 4.297
493 HB2 ARG 62 HB2 ARG 62 9.266 24.080 3.002
494 HB3 ARG 62 HB3 ARG 62 9.066 25.435 4.105
495 HG2 ARG 62 HG2 ARG 62 11.699 25.578 3.115
496 HG3 ARG 62 HG3 ARG 62 10.644 25.258 1.737
497 HD2 ARG 62 HD2 ARG 62 10.924 27.659 2.123
498 HD3 ARG 62 HD3 ARG 62 9.249 27.156 2.342
499 HE ARG 62 HE ARG 62 10.678 27.148 4.804
500 HH11 ARG 62 HH11 ARG 62 9.092 29.227 2.505
501 HH12 ARG 62 HH12 ARG 62 8.720 30.452 3.673
502 HH21 ARG 62 HH21 ARG 62 10.194 28.754 6.350
503 HH22 ARG 62 HH22 ARG 62 9.348 30.182 5.859
504 H ASP 63 H ASP 63 9.025 24.771 6.595
505 HA ASP 63 HA ASP 63 10.473 27.008 7.530
506 HB2 ASP 63 HB2 ASP 63 8.038 26.681 7.882
507 HB3 ASP 63 HB3 ASP 63 8.399 25.374 9.007
508 H HIS 64 H HIS 64 10.533 23.616 8.357
509 HA HIS 64 HA HIS 64 11.875 23.795 10.822
510 HB2 HIS 64 HB2 HIS 64 10.959 21.697 10.404
511 HB3 HIS 64 HB3 HIS 64 11.572 21.646 8.754
512 HD1 HIS 64 HD1 HIS 64 13.039 19.642 8.726
513 HD2 HIS 64 HD2 HIS 64 13.710 22.022 12.065
514 HE1 HIS 64 HE1 HIS 64 15.015 18.617 9.897
515 H VAL 65 H VAL 65 13.052 23.656 7.500
516 HA VAL 65 HA VAL 65 15.796 23.371 8.124
517 HB VAL 65 HB VAL 65 14.601 24.647 5.661
518 HG11 VAL 65 HG11 VAL 65 17.325 23.821 6.456
519 HG12 VAL 65 HG12 VAL 65 16.829 23.434 4.807
520 HG13 VAL 65 HG13 VAL 65 16.799 25.106 5.369
521 HG21 VAL 65 HG21 VAL 65 15.330 21.756 6.114
522 HG22 VAL 65 HG22 VAL 65 13.685 22.392 6.127
523 HG23 VAL 65 HG23 VAL 65 14.644 22.458 4.648
524 H ASN 66 H ASN 66 13.813 26.223 7.366
525 HA ASN 66 HA ASN 66 15.920 28.096 7.601
526 HB2 ASN 66 HB2 ASN 66 13.742 28.506 6.430
527 HB3 ASN 66 HB3 ASN 66 12.966 28.603 8.007
528 HD21 ASN 66 HD21 ASN 66 12.344 30.741 7.347
529 HD22 ASN 66 HD22 ASN 66 13.459 32.050 7.518
530 H ASP 67 H ASP 67 13.762 26.615 9.905
531 HA ASP 67 HA ASP 67 14.100 28.423 12.038
532 HB2 ASP 67 HB2 ASP 67 12.412 26.477 11.774
533 HB3 ASP 67 HB3 ASP 67 13.695 25.470 12.439
534 H MET 68 H MET 68 16.161 25.995 10.716
535 HA MET 68 HA MET 68 17.767 25.496 12.992
536 HB2 MET 68 HB2 MET 68 18.267 25.202 10.034
537 HB3 MET 68 HB3 MET 68 19.471 24.767 11.240
538 HG2 MET 68 HG2 MET 68 16.805 23.619 11.671
539 HG3 MET 68 HG3 MET 68 17.637 23.071 10.218
540 HE1 MET 68 HE1 MET 68 19.833 24.264 13.161
541 HE2 MET 68 HE2 MET 68 18.361 23.831 14.031
542 HE3 MET 68 HE3 MET 68 19.832 22.883 14.258
543 H GLY 69 H GLY 69 17.439 28.230 11.030
544 HA2 GLY 69 HA2 GLY 69 18.460 30.301 11.373
545 HA3 GLY 69 HA3 GLY 69 19.663 29.513 12.384
546 H PHE 70 H PHE 70 18.857 28.427 9.153
547 HA PHE 70 HA PHE 70 21.552 29.242 8.290
548 HB2 PHE 70 HB2 PHE 70 19.837 26.901 7.453
549 HB3 PHE 70 HB3 PHE 70 21.300 27.378 6.597
550 HD1 PHE 70 HD1 PHE 70 20.148 26.563 10.049
551 HD2 PHE 70 HD2 PHE 70 23.279 26.368 7.173
552 HE1 PHE 70 HE1 PHE 70 21.493 25.219 11.610
553 HE2 PHE 70 HE2 PHE 70 24.629 25.022 8.729
554 HZ PHE 70 HZ PHE 70 23.737 24.447 10.951
555 H GLU 71 H GLU 71 21.636 29.331 5.759
556 HA GLU 71 HA GLU 71 19.576 31.249 4.968
557 HB2 GLU 71 HB2 GLU 71 22.288 31.347 4.726
558 HB3 GLU 71 HB3 GLU 71 21.831 30.745 3.139
559 HG2 GLU 71 HG2 GLU 71 21.132 33.345 4.437
560 HG3 GLU 71 HG3 GLU 71 21.890 33.049 2.874
561 H ALA 72 H ALA 72 19.871 28.048 4.801
562 HA ALA 72 HA ALA 72 19.671 27.149 2.243
563 HB1 ALA 72 HB1 ALA 72 17.698 25.686 3.434
564 HB2 ALA 72 HB2 ALA 72 19.426 25.353 3.557
565 HB3 ALA 72 HB3 ALA 72 18.613 26.271 4.824
566 H ALA 73 H ALA 73 18.218 27.169 0.604
567 HA ALA 73 HA ALA 73 15.590 28.387 1.069
568 HB1 ALA 73 HB1 ALA 73 16.343 29.328 -1.436
569 HB2 ALA 73 HB2 ALA 73 16.215 30.264 0.054
570 HB3 ALA 73 HB3 ALA 73 17.765 29.568 -0.420
571 H ILE 74 H ILE 74 13.984 27.812 -0.458
572 HA ILE 74 HA ILE 74 14.103 25.160 -1.367
573 HB ILE 74 HB ILE 74 12.200 27.307 -2.306
574 HG12 ILE 74 HG12 ILE 74 11.914 25.379 0.008
575 HG13 ILE 74 HG13 ILE 74 12.287 27.092 0.168
576 HG21 ILE 74 HG21 ILE 74 10.890 24.867 -2.188
577 HG22 ILE 74 HG22 ILE 74 11.443 25.697 -3.642
578 HG23 ILE 74 HG23 ILE 74 12.467 24.483 -2.876
579 HD11 ILE 74 HD11 ILE 74 9.949 26.804 -1.431
580 HD12 ILE 74 HD12 ILE 74 9.763 25.860 0.048
581 HD13 ILE 74 HD13 ILE 74 10.136 27.581 0.142
582 H LYS 75 H LYS 75 15.015 24.307 -3.107
583 HA LYS 75 HA LYS 75 16.466 25.733 -4.999
584 HB2 LYS 75 HB2 LYS 75 16.462 23.196 -4.403
585 HB3 LYS 75 HB3 LYS 75 15.242 23.075 -5.664
586 HG2 LYS 75 HG2 LYS 75 16.724 23.603 -7.340
587 HG3 LYS 75 HG3 LYS 75 17.817 24.458 -6.250
588 HD2 LYS 75 HD2 LYS 75 17.461 21.596 -5.672
589 HD3 LYS 75 HD3 LYS 75 18.250 21.957 -7.209
590 HE2 LYS 75 HE2 LYS 75 19.153 23.406 -4.771
591 HE3 LYS 75 HE3 LYS 75 19.626 21.719 -4.967
592 HZ1 LYS 75 HZ1 LYS 75 20.276 22.577 -7.344
593 HZ2 LYS 75 HZ2 LYS 75 21.334 22.745 -6.036
594 HZ3 LYS 75 HZ3 LYS 75 20.400 24.061 -6.543
595 H SER 76 H SER 76 13.240 24.264 -5.346
596 HA SER 76 HA SER 76 12.858 25.555 -7.912
597 HB2 SER 76 HB2 SER 76 12.022 23.244 -7.451
598 HB3 SER 76 HB3 SER 76 10.880 23.930 -6.296
599 HG SER 76 HG SER 76 10.556 23.657 -8.887
Start of MODEL 13
1 H1 ALA 1 H ALA 1 18.585 11.999 -4.442
2 HA ALA 1 HA ALA 1 17.144 11.628 -2.422
3 HB1 ALA 1 HB1 ALA 1 16.271 13.995 -4.068
4 HB2 ALA 1 HB2 ALA 1 16.247 13.841 -2.311
5 HB3 ALA 1 HB3 ALA 1 17.786 13.922 -3.169
6 H GLY 2 H GLY 2 16.058 9.685 -3.939
7 HA2 GLY 2 HA2 GLY 2 13.293 9.879 -3.320
8 HA3 GLY 2 HA3 GLY 2 13.543 10.069 -5.049
9 H HIS 3 H HIS 3 12.849 8.214 -5.917
10 HA HIS 3 HA HIS 3 12.694 6.002 -6.426
11 HB2 HIS 3 HB2 HIS 3 15.251 6.441 -6.508
12 HB3 HIS 3 HB3 HIS 3 15.297 5.541 -4.995
13 HD1 HIS 3 HD1 HIS 3 16.493 3.494 -5.883
14 HD2 HIS 3 HD2 HIS 3 13.051 4.422 -8.017
15 HE1 HIS 3 HE1 HIS 3 16.089 1.527 -7.397
16 H MET 4 H MET 4 11.658 6.982 -3.859
17 HA MET 4 HA MET 4 11.225 4.390 -2.634
18 HB2 MET 4 HB2 MET 4 12.328 6.713 -1.044
19 HB3 MET 4 HB3 MET 4 11.748 5.201 -0.360
20 HG2 MET 4 HG2 MET 4 13.501 4.014 -1.664
21 HG3 MET 4 HG3 MET 4 14.127 5.585 -2.158
22 HE1 MET 4 HE1 MET 4 16.563 6.413 0.439
23 HE2 MET 4 HE2 MET 4 16.590 5.509 -1.075
24 HE3 MET 4 HE3 MET 4 15.626 6.980 -0.943
25 H GLN 5 H GLN 5 9.566 4.585 -0.826
26 HA GLN 5 HA GLN 5 7.304 5.972 -1.833
27 HB2 GLN 5 HB2 GLN 5 7.684 4.640 0.854
28 HB3 GLN 5 HB3 GLN 5 6.143 5.108 0.147
29 HG2 GLN 5 HG2 GLN 5 6.389 3.500 -1.608
30 HG3 GLN 5 HG3 GLN 5 8.030 3.119 -1.089
31 HE21 GLN 5 HE21 GLN 5 5.493 1.523 -1.346
32 HE22 GLN 5 HE22 GLN 5 5.328 0.731 0.180
33 H GLU 6 H GLU 6 9.843 6.886 0.243
34 HA GLU 6 HA GLU 6 8.335 8.925 1.642
35 HB2 GLU 6 HB2 GLU 6 11.327 8.776 1.637
36 HB3 GLU 6 HB3 GLU 6 10.243 9.293 2.922
37 HG2 GLU 6 HG2 GLU 6 9.477 6.756 2.765
38 HG3 GLU 6 HG3 GLU 6 11.121 6.574 2.155
39 H ALA 7 H ALA 7 8.506 11.131 1.344
40 HA ALA 7 HA ALA 7 9.554 11.944 -1.273
41 HB1 ALA 7 HB1 ALA 7 7.355 12.912 0.473
42 HB2 ALA 7 HB2 ALA 7 8.167 14.086 -0.564
43 HB3 ALA 7 HB3 ALA 7 7.393 12.669 -1.274
44 H VAL 8 H VAL 8 11.002 13.609 -1.515
45 HA VAL 8 HA VAL 8 12.164 14.705 0.964
46 HB VAL 8 HB VAL 8 13.810 14.303 -1.510
47 HG11 VAL 8 HG11 VAL 8 14.432 15.672 0.626
48 HG12 VAL 8 HG12 VAL 8 14.766 14.079 1.309
49 HG13 VAL 8 HG13 VAL 8 15.627 14.620 -0.132
50 HG21 VAL 8 HG21 VAL 8 13.009 12.239 0.501
51 HG22 VAL 8 HG22 VAL 8 13.141 12.101 -1.252
52 HG23 VAL 8 HG23 VAL 8 14.598 12.167 -0.261
53 H VAL 9 H VAL 9 12.932 16.835 0.896
54 HA VAL 9 HA VAL 9 12.071 18.398 -1.452
55 HB VAL 9 HB VAL 9 11.421 20.220 -0.025
56 HG11 VAL 9 HG11 VAL 9 9.692 18.604 -0.409
57 HG12 VAL 9 HG12 VAL 9 10.289 17.584 0.901
58 HG13 VAL 9 HG13 VAL 9 9.574 19.155 1.262
59 HG21 VAL 9 HG21 VAL 9 12.370 20.509 1.961
60 HG22 VAL 9 HG22 VAL 9 11.481 19.115 2.574
61 HG23 VAL 9 HG23 VAL 9 13.088 18.900 1.879
62 H LYS 10 H LYS 10 14.721 17.240 -0.462
63 HA LYS 10 HA LYS 10 16.606 18.775 0.515
64 HB2 LYS 10 HB2 LYS 10 18.184 17.843 -0.931
65 HB3 LYS 10 HB3 LYS 10 16.858 16.689 -0.984
66 HG2 LYS 10 HG2 LYS 10 17.356 18.843 -3.029
67 HG3 LYS 10 HG3 LYS 10 17.815 17.147 -3.200
68 HD2 LYS 10 HD2 LYS 10 15.424 16.528 -2.948
69 HD3 LYS 10 HD3 LYS 10 15.018 18.246 -2.921
70 HE2 LYS 10 HE2 LYS 10 16.177 18.422 -5.160
71 HE3 LYS 10 HE3 LYS 10 16.223 16.659 -5.178
72 HZ1 LYS 10 HZ1 LYS 10 13.693 18.138 -4.795
73 HZ2 LYS 10 HZ2 LYS 10 13.910 16.531 -5.274
74 HZ3 LYS 10 HZ3 LYS 10 14.288 17.789 -6.340
75 H LEU 11 H LEU 11 17.451 20.760 0.342
76 HA LEU 11 HA LEU 11 16.791 22.348 -2.048
77 HB2 LEU 11 HB2 LEU 11 16.840 23.305 0.810
78 HB3 LEU 11 HB3 LEU 11 16.577 24.321 -0.606
79 HG LEU 11 HG LEU 11 14.604 22.428 -0.855
80 HD11 LEU 11 HD11 LEU 11 14.971 21.455 1.291
81 HD12 LEU 11 HD12 LEU 11 13.505 22.430 1.387
82 HD13 LEU 11 HD13 LEU 11 15.015 23.039 2.065
83 HD21 LEU 11 HD21 LEU 11 14.855 25.237 -0.204
84 HD22 LEU 11 HD22 LEU 11 13.435 24.514 0.551
85 HD23 LEU 11 HD23 LEU 11 13.654 24.411 -1.196
86 H ARG 12 H ARG 12 18.186 24.549 -1.781
87 HA ARG 12 HA ARG 12 20.963 23.613 -1.584
88 HB2 ARG 12 HB2 ARG 12 19.872 24.711 -3.715
89 HB3 ARG 12 HB3 ARG 12 20.209 26.210 -2.860
90 HG2 ARG 12 HG2 ARG 12 22.471 25.984 -3.065
91 HG3 ARG 12 HG3 ARG 12 22.399 24.222 -3.132
92 HD2 ARG 12 HD2 ARG 12 22.984 24.881 -5.305
93 HD3 ARG 12 HD3 ARG 12 21.260 24.520 -5.391
94 HE ARG 12 HE ARG 12 21.725 27.273 -4.847
95 HH11 ARG 12 HH11 ARG 12 21.730 24.898 -7.392
96 HH12 ARG 12 HH12 ARG 12 21.406 26.050 -8.645
97 HH21 ARG 12 HH21 ARG 12 21.298 28.799 -6.488
98 HH22 ARG 12 HH22 ARG 12 21.161 28.268 -8.130
99 H VAL 13 H VAL 13 22.096 24.211 0.131
100 HA VAL 13 HA VAL 13 21.145 26.347 1.846
101 HB VAL 13 HB VAL 13 23.592 24.615 2.204
102 HG11 VAL 13 HG11 VAL 13 22.470 25.391 4.659
103 HG12 VAL 13 HG12 VAL 13 23.996 25.924 3.952
104 HG13 VAL 13 HG13 VAL 13 22.518 26.840 3.656
105 HG21 VAL 13 HG21 VAL 13 20.737 24.054 2.587
106 HG22 VAL 13 HG22 VAL 13 22.096 22.947 2.394
107 HG23 VAL 13 HG23 VAL 13 21.760 23.664 3.970
108 H GLU 14 H GLU 14 21.837 28.374 1.745
109 HA GLU 14 HA GLU 14 24.306 28.942 0.255
110 HB2 GLU 14 HB2 GLU 14 21.709 30.137 0.260
111 HB3 GLU 14 HB3 GLU 14 22.873 31.330 0.819
112 HG2 GLU 14 HG2 GLU 14 23.298 29.729 -1.682
113 HG3 GLU 14 HG3 GLU 14 22.402 31.247 -1.669
114 H GLY 15 H GLY 15 23.219 28.633 3.364
115 HA2 GLY 15 HA2 GLY 15 24.871 30.799 4.443
116 HA3 GLY 15 HA3 GLY 15 23.747 29.803 5.356
117 H MET 16 H MET 16 25.304 27.638 3.525
118 HA MET 16 HA MET 16 26.691 26.405 5.561
119 HB2 MET 16 HB2 MET 16 26.094 25.503 3.243
120 HB3 MET 16 HB3 MET 16 27.577 26.265 2.685
121 HG2 MET 16 HG2 MET 16 28.132 24.029 3.097
122 HG3 MET 16 HG3 MET 16 28.776 24.935 4.465
123 HE1 MET 16 HE1 MET 16 26.576 21.473 3.998
124 HE2 MET 16 HE2 MET 16 25.079 22.382 4.209
125 HE3 MET 16 HE3 MET 16 26.223 22.848 2.950
126 H THR 17 H THR 17 28.789 26.400 6.297
127 HA THR 17 HA THR 17 30.746 28.187 5.102
128 HB THR 17 HB THR 17 31.230 29.265 7.323
129 HG1 THR 17 HG1 THR 17 29.453 29.227 8.827
130 HG21 THR 17 HG21 THR 17 30.078 30.514 5.598
131 HG22 THR 17 HG22 THR 17 29.364 30.891 7.167
132 HG23 THR 17 HG23 THR 17 28.537 29.793 6.062
133 H CYS 18 H CYS 18 32.738 28.192 6.825
134 HA CYS 18 HA CYS 18 33.929 25.722 6.652
135 HB2 CYS 18 HB2 CYS 18 34.401 28.011 8.552
136 HB3 CYS 18 HB3 CYS 18 35.403 26.565 8.578
137 HG CYS 18 HG CYS 18 35.070 27.961 5.548
138 H GLN 19 H GLN 19 31.771 26.929 9.119
139 HA GLN 19 HA GLN 19 32.274 24.977 11.091
140 HB2 GLN 19 HB2 GLN 19 31.006 27.155 11.373
141 HB3 GLN 19 HB3 GLN 19 29.634 26.357 10.615
142 HG2 GLN 19 HG2 GLN 19 29.304 26.242 12.952
143 HG3 GLN 19 HG3 GLN 19 29.759 24.626 12.415
144 HE21 GLN 19 HE21 GLN 19 30.824 23.744 14.046
145 HE22 GLN 19 HE22 GLN 19 32.152 24.459 14.888
146 H SER 20 H SER 20 31.796 22.888 11.154
147 HA SER 20 HA SER 20 30.344 21.657 9.006
148 HB2 SER 20 HB2 SER 20 31.253 20.292 11.539
149 HB3 SER 20 HB3 SER 20 31.011 19.579 9.944
150 HG SER 20 HG SER 20 33.257 20.122 10.677
151 H CYS 21 H CYS 21 28.421 23.107 9.715
152 HA CYS 21 HA CYS 21 26.890 22.426 11.974
153 HB2 CYS 21 HB2 CYS 21 26.642 24.496 10.545
154 HB3 CYS 21 HB3 CYS 21 25.814 23.492 9.361
155 HG CYS 21 HG CYS 21 24.735 24.542 12.397
156 H VAL 22 H VAL 22 27.460 20.743 9.085
157 HA VAL 22 HA VAL 22 25.124 19.423 8.505
158 HB VAL 22 HB VAL 22 27.932 18.311 8.510
159 HG11 VAL 22 HG11 VAL 22 26.560 16.894 6.625
160 HG12 VAL 22 HG12 VAL 22 26.926 16.323 8.254
161 HG13 VAL 22 HG13 VAL 22 25.358 17.053 7.906
162 HG21 VAL 22 HG21 VAL 22 26.408 20.045 6.726
163 HG22 VAL 22 HG22 VAL 22 28.147 19.768 6.824
164 HG23 VAL 22 HG23 VAL 22 27.127 18.657 5.910
165 H SER 23 H SER 23 27.507 18.582 10.998
166 HA SER 23 HA SER 23 26.216 16.240 11.892
167 HB2 SER 23 HB2 SER 23 28.495 17.833 12.669
168 HB3 SER 23 HB3 SER 23 27.579 17.342 14.094
169 HG SER 23 HG SER 23 29.232 15.830 13.314
170 H SER 24 H SER 24 25.930 19.624 12.832
171 HA SER 24 HA SER 24 24.266 19.181 15.087
172 HB2 SER 24 HB2 SER 24 25.426 21.267 14.953
173 HB3 SER 24 HB3 SER 24 24.749 21.615 13.362
174 HG SER 24 HG SER 24 23.705 22.084 15.826
175 H ILE 25 H ILE 25 23.604 19.935 11.693
176 HA ILE 25 HA ILE 25 20.800 20.183 11.967
177 HB ILE 25 HB ILE 25 22.378 19.400 9.514
178 HG12 ILE 25 HG12 ILE 25 21.347 22.143 10.222
179 HG13 ILE 25 HG13 ILE 25 22.958 21.604 10.682
180 HG21 ILE 25 HG21 ILE 25 19.576 20.466 9.824
181 HG22 ILE 25 HG22 ILE 25 20.423 20.288 8.288
182 HG23 ILE 25 HG23 ILE 25 20.041 18.864 9.254
183 HD11 ILE 25 HD11 ILE 25 23.743 22.095 8.676
184 HD12 ILE 25 HD12 ILE 25 22.510 21.103 7.897
185 HD13 ILE 25 HD13 ILE 25 22.171 22.790 8.282
186 H GLU 26 H GLU 26 22.919 17.453 11.695
187 HA GLU 26 HA GLU 26 21.069 15.543 10.757
188 HB2 GLU 26 HB2 GLU 26 23.773 15.573 11.620
189 HB3 GLU 26 HB3 GLU 26 22.945 14.323 12.538
190 HG2 GLU 26 HG2 GLU 26 22.020 13.647 10.180
191 HG3 GLU 26 HG3 GLU 26 23.449 14.510 9.614
192 H GLY 27 H GLY 27 21.899 16.667 14.000
193 HA2 GLY 27 HA2 GLY 27 20.402 14.732 15.422
194 HA3 GLY 27 HA3 GLY 27 20.918 16.293 16.043
195 H LYS 28 H LYS 28 19.527 17.796 13.960
196 HA LYS 28 HA LYS 28 17.155 18.374 15.232
197 HB2 LYS 28 HB2 LYS 28 18.230 18.860 12.507
198 HB3 LYS 28 HB3 LYS 28 16.503 19.099 12.731
199 HG2 LYS 28 HG2 LYS 28 17.521 21.198 13.065
200 HG3 LYS 28 HG3 LYS 28 17.075 20.604 14.666
201 HD2 LYS 28 HD2 LYS 28 19.238 20.330 15.315
202 HD3 LYS 28 HD3 LYS 28 19.789 19.928 13.686
203 HE2 LYS 28 HE2 LYS 28 20.219 22.081 13.163
204 HE3 LYS 28 HE3 LYS 28 18.821 22.684 14.052
205 HZ1 LYS 28 HZ1 LYS 28 20.960 23.380 15.014
206 HZ2 LYS 28 HZ2 LYS 28 21.343 21.760 15.316
207 HZ3 LYS 28 HZ3 LYS 28 20.025 22.477 16.098
208 H VAL 29 H VAL 29 17.778 15.982 12.729
209 HA VAL 29 HA VAL 29 15.184 15.316 12.006
210 HB VAL 29 HB VAL 29 17.385 14.429 11.042
211 HG11 VAL 29 HG11 VAL 29 17.006 12.126 12.907
212 HG12 VAL 29 HG12 VAL 29 18.424 12.583 11.961
213 HG13 VAL 29 HG13 VAL 29 17.987 13.505 13.400
214 HG21 VAL 29 HG21 VAL 29 14.785 13.094 11.313
215 HG22 VAL 29 HG22 VAL 29 15.709 13.498 9.866
216 HG23 VAL 29 HG23 VAL 29 16.104 12.048 10.788
217 H ARG 30 H ARG 30 17.020 14.426 14.856
218 HA ARG 30 HA ARG 30 15.341 12.349 15.767
219 HB2 ARG 30 HB2 ARG 30 17.630 12.733 16.612
220 HB3 ARG 30 HB3 ARG 30 17.085 14.216 17.384
221 HG2 ARG 30 HG2 ARG 30 15.647 12.979 18.862
222 HG3 ARG 30 HG3 ARG 30 16.021 11.473 18.021
223 HD2 ARG 30 HD2 ARG 30 18.134 11.340 18.916
224 HD3 ARG 30 HD3 ARG 30 18.256 13.082 19.156
225 HE ARG 30 HE ARG 30 17.224 11.155 21.004
226 HH11 ARG 30 HH11 ARG 30 17.048 14.478 19.982
227 HH12 ARG 30 HH12 ARG 30 16.497 15.058 21.519
228 HH21 ARG 30 HH21 ARG 30 16.499 11.906 23.032
229 HH22 ARG 30 HH22 ARG 30 16.186 13.594 23.254
230 H LYS 31 H LYS 31 15.021 15.777 15.789
231 HA LYS 31 HA LYS 31 12.955 15.745 17.844
232 HB2 LYS 31 HB2 LYS 31 14.119 18.015 16.222
233 HB3 LYS 31 HB3 LYS 31 12.908 18.205 17.483
234 HG2 LYS 31 HG2 LYS 31 15.523 16.879 18.074
235 HG3 LYS 31 HG3 LYS 31 15.385 18.638 18.043
236 HD2 LYS 31 HD2 LYS 31 13.456 16.999 19.640
237 HD3 LYS 31 HD3 LYS 31 15.057 17.369 20.286
238 HE2 LYS 31 HE2 LYS 31 13.338 19.551 19.177
239 HE3 LYS 31 HE3 LYS 31 13.055 18.946 20.808
240 HZ1 LYS 31 HZ1 LYS 31 14.562 20.520 21.315
241 HZ2 LYS 31 HZ2 LYS 31 15.261 20.530 19.775
242 HZ3 LYS 31 HZ3 LYS 31 15.679 19.324 20.886
243 H LEU 32 H LEU 32 13.221 15.450 14.479
244 HA LEU 32 HA LEU 32 10.700 16.617 13.775
245 HB2 LEU 32 HB2 LEU 32 12.808 15.056 12.391
246 HB3 LEU 32 HB3 LEU 32 11.194 15.049 11.683
247 HG LEU 32 HG LEU 32 12.584 16.730 10.626
248 HD11 LEU 32 HD11 LEU 32 11.101 18.578 10.781
249 HD12 LEU 32 HD12 LEU 32 10.589 18.115 12.404
250 HD13 LEU 32 HD13 LEU 32 10.136 17.121 11.020
251 HD21 LEU 32 HD21 LEU 32 12.935 17.761 13.432
252 HD22 LEU 32 HD22 LEU 32 13.288 18.722 11.995
253 HD23 LEU 32 HD23 LEU 32 14.184 17.233 12.304
254 H GLN 33 H GLN 33 8.736 15.684 13.625
255 HA GLN 33 HA GLN 33 8.428 13.030 14.764
256 HB2 GLN 33 HB2 GLN 33 6.021 13.546 14.753
257 HB3 GLN 33 HB3 GLN 33 6.957 14.796 15.561
258 HG2 GLN 33 HG2 GLN 33 6.874 16.119 13.450
259 HG3 GLN 33 HG3 GLN 33 5.770 14.908 12.802
260 HE21 GLN 33 HE21 GLN 33 4.614 17.128 12.685
261 HE22 GLN 33 HE22 GLN 33 3.550 17.466 14.003
262 H GLY 34 H GLY 34 7.675 14.727 11.741
263 HA2 GLY 34 HA2 GLY 34 6.732 12.254 10.523
264 HA3 GLY 34 HA3 GLY 34 6.727 13.848 9.785
265 H VAL 35 H VAL 35 9.291 14.650 9.883
266 HA VAL 35 HA VAL 35 10.515 13.579 7.711
267 HB VAL 35 HB VAL 35 11.275 15.389 9.748
268 HG11 VAL 35 HG11 VAL 35 13.659 14.915 9.992
269 HG12 VAL 35 HG12 VAL 35 12.679 13.618 10.677
270 HG13 VAL 35 HG13 VAL 35 13.455 13.404 9.107
271 HG21 VAL 35 HG21 VAL 35 12.580 16.363 8.054
272 HG22 VAL 35 HG22 VAL 35 12.824 14.820 7.236
273 HG23 VAL 35 HG23 VAL 35 11.239 15.593 7.206
274 H VAL 36 H VAL 36 11.788 11.874 7.211
275 HA VAL 36 HA VAL 36 12.014 9.762 9.206
276 HB VAL 36 HB VAL 36 12.936 9.517 6.360
277 HG11 VAL 36 HG11 VAL 36 11.485 7.371 7.780
278 HG12 VAL 36 HG12 VAL 36 12.893 7.283 6.719
279 HG13 VAL 36 HG13 VAL 36 13.084 7.781 8.401
280 HG21 VAL 36 HG21 VAL 36 10.178 9.866 7.344
281 HG22 VAL 36 HG22 VAL 36 10.863 10.176 5.748
282 HG23 VAL 36 HG23 VAL 36 10.434 8.531 6.219
283 H ARG 37 H ARG 37 14.118 11.588 7.000
284 HA ARG 37 HA ARG 37 16.281 11.552 8.862
285 HB2 ARG 37 HB2 ARG 37 16.121 9.280 7.313
286 HB3 ARG 37 HB3 ARG 37 17.237 10.287 6.401
287 HG2 ARG 37 HG2 ARG 37 18.577 8.992 7.820
288 HG3 ARG 37 HG3 ARG 37 18.513 10.589 8.569
289 HD2 ARG 37 HD2 ARG 37 16.821 9.823 10.125
290 HD3 ARG 37 HD3 ARG 37 16.775 8.247 9.336
291 HE ARG 37 HE ARG 37 19.380 8.562 10.090
292 HH11 ARG 37 HH11 ARG 37 16.310 8.642 11.730
293 HH12 ARG 37 HH12 ARG 37 16.951 8.065 13.233
294 HH21 ARG 37 HH21 ARG 37 20.236 7.802 12.063
295 HH22 ARG 37 HH22 ARG 37 19.184 7.589 13.421
296 H VAL 38 H VAL 38 18.072 12.845 8.175
297 HA VAL 38 HA VAL 38 17.588 14.418 5.735
298 HB VAL 38 HB VAL 38 18.357 16.447 6.935
299 HG11 VAL 38 HG11 VAL 38 16.242 16.994 7.486
300 HG12 VAL 38 HG12 VAL 38 15.866 15.402 6.823
301 HG13 VAL 38 HG13 VAL 38 16.054 15.612 8.565
302 HG21 VAL 38 HG21 VAL 38 18.329 14.565 9.271
303 HG22 VAL 38 HG22 VAL 38 19.609 15.658 8.747
304 HG23 VAL 38 HG23 VAL 38 18.144 16.306 9.486
305 H LYS 39 H LYS 39 19.298 14.509 4.440
306 HA LYS 39 HA LYS 39 21.948 13.903 5.579
307 HB2 LYS 39 HB2 LYS 39 20.789 12.345 3.814
308 HB3 LYS 39 HB3 LYS 39 21.325 13.567 2.669
309 HG2 LYS 39 HG2 LYS 39 23.644 13.248 3.721
310 HG3 LYS 39 HG3 LYS 39 22.973 11.763 4.398
311 HD2 LYS 39 HD2 LYS 39 22.818 12.407 1.464
312 HD3 LYS 39 HD3 LYS 39 24.199 11.568 2.174
313 HE2 LYS 39 HE2 LYS 39 21.449 10.563 2.732
314 HE3 LYS 39 HE3 LYS 39 22.175 10.232 1.160
315 HZ1 LYS 39 HZ1 LYS 39 23.627 9.644 3.662
316 HZ2 LYS 39 HZ2 LYS 39 23.873 8.997 2.119
317 HZ3 LYS 39 HZ3 LYS 39 22.517 8.540 3.020
318 H VAL 40 H VAL 40 23.366 15.509 5.564
319 HA VAL 40 HA VAL 40 22.956 17.728 3.669
320 HB VAL 40 HB VAL 40 24.305 17.777 6.373
321 HG11 VAL 40 HG11 VAL 40 24.421 20.217 6.020
322 HG12 VAL 40 HG12 VAL 40 25.394 19.315 4.856
323 HG13 VAL 40 HG13 VAL 40 23.835 19.986 4.373
324 HG21 VAL 40 HG21 VAL 40 21.567 18.258 5.478
325 HG22 VAL 40 HG22 VAL 40 22.193 17.954 7.098
326 HG23 VAL 40 HG23 VAL 40 22.245 19.583 6.424
327 H SER 41 H SER 41 24.518 18.195 2.251
328 HA SER 41 HA SER 41 27.084 16.774 2.525
329 HB2 SER 41 HB2 SER 41 25.579 16.242 0.534
330 HB3 SER 41 HB3 SER 41 25.942 17.866 -0.049
331 HG SER 41 HG SER 41 27.951 17.284 -0.480
332 H LEU 42 H LEU 42 28.540 18.124 3.370
333 HA LEU 42 HA LEU 42 28.458 20.944 3.094
334 HB2 LEU 42 HB2 LEU 42 30.394 20.995 4.385
335 HB3 LEU 42 HB3 LEU 42 29.543 19.554 4.937
336 HG LEU 42 HG LEU 42 31.797 19.463 2.943
337 HD11 LEU 42 HD11 LEU 42 31.876 19.302 5.946
338 HD12 LEU 42 HD12 LEU 42 32.763 20.404 4.893
339 HD13 LEU 42 HD13 LEU 42 33.160 18.686 4.905
340 HD21 LEU 42 HD21 LEU 42 30.824 17.423 2.752
341 HD22 LEU 42 HD22 LEU 42 30.107 17.488 4.362
342 HD23 LEU 42 HD23 LEU 42 31.817 17.099 4.173
343 H SER 43 H SER 43 29.985 18.387 1.285
344 HA SER 43 HA SER 43 31.840 20.022 -0.125
345 HB2 SER 43 HB2 SER 43 31.784 17.426 0.172
346 HB3 SER 43 HB3 SER 43 30.743 17.463 -1.250
347 HG SER 43 HG SER 43 33.453 18.064 -1.004
348 H ASN 44 H ASN 44 28.493 19.153 -0.595
349 HA ASN 44 HA ASN 44 28.469 20.480 -3.211
350 HB2 ASN 44 HB2 ASN 44 27.092 18.222 -2.133
351 HB3 ASN 44 HB3 ASN 44 25.900 19.452 -2.540
352 HD21 ASN 44 HD21 ASN 44 25.073 19.089 -4.456
353 HD22 ASN 44 HD22 ASN 44 25.933 18.552 -5.856
354 H GLN 45 H GLN 45 28.094 21.289 -0.062
355 HA GLN 45 HA GLN 45 27.037 22.950 1.087
356 HB2 GLN 45 HB2 GLN 45 27.009 24.267 -1.634
357 HB3 GLN 45 HB3 GLN 45 26.852 25.085 -0.084
358 HG2 GLN 45 HG2 GLN 45 29.123 24.300 0.507
359 HG3 GLN 45 HG3 GLN 45 29.270 23.620 -1.113
360 HE21 GLN 45 HE21 GLN 45 31.147 25.336 -0.466
361 HE22 GLN 45 HE22 GLN 45 30.914 26.872 -1.221
362 H GLU 46 H GLU 46 25.315 20.901 0.255
363 HA GLU 46 HA GLU 46 22.814 22.415 -0.051
364 HB2 GLU 46 HB2 GLU 46 21.967 21.022 -1.683
365 HB3 GLU 46 HB3 GLU 46 23.665 21.074 -2.134
366 HG2 GLU 46 HG2 GLU 46 23.748 18.957 -0.529
367 HG3 GLU 46 HG3 GLU 46 22.060 18.851 -1.026
368 H ALA 47 H ALA 47 20.948 21.414 0.888
369 HA ALA 47 HA ALA 47 21.601 19.388 2.929
370 HB1 ALA 47 HB1 ALA 47 21.309 21.524 4.011
371 HB2 ALA 47 HB2 ALA 47 19.760 21.761 3.201
372 HB3 ALA 47 HB3 ALA 47 19.942 20.479 4.399
373 H VAL 48 H VAL 48 20.445 17.582 2.809
374 HA VAL 48 HA VAL 48 17.978 17.603 1.204
375 HB VAL 48 HB VAL 48 19.770 15.269 1.892
376 HG11 VAL 48 HG11 VAL 48 18.156 13.912 1.196
377 HG12 VAL 48 HG12 VAL 48 17.068 15.300 1.139
378 HG13 VAL 48 HG13 VAL 48 17.972 14.827 -0.300
379 HG21 VAL 48 HG21 VAL 48 21.027 15.943 0.187
380 HG22 VAL 48 HG22 VAL 48 19.651 15.660 -0.879
381 HG23 VAL 48 HG23 VAL 48 19.910 17.258 -0.180
382 H ILE 49 H ILE 49 16.094 17.247 2.175
383 HA ILE 49 HA ILE 49 16.109 16.003 4.847
384 HB ILE 49 HB ILE 49 14.251 18.180 3.882
385 HG12 ILE 49 HG12 ILE 49 15.810 18.802 6.232
386 HG13 ILE 49 HG13 ILE 49 16.869 18.367 4.894
387 HG21 ILE 49 HG21 ILE 49 14.198 16.346 6.168
388 HG22 ILE 49 HG22 ILE 49 13.959 18.043 6.580
389 HG23 ILE 49 HG23 ILE 49 12.893 17.261 5.414
390 HD11 ILE 49 HD11 ILE 49 16.210 20.828 5.212
391 HD12 ILE 49 HD12 ILE 49 16.148 20.139 3.589
392 HD13 ILE 49 HD13 ILE 49 14.663 20.347 4.516
393 H THR 50 H THR 50 15.235 14.049 4.711
394 HA THR 50 HA THR 50 13.190 13.497 2.700
395 HB THR 50 HB THR 50 14.488 11.534 4.594
396 HG1 THR 50 HG1 THR 50 16.151 11.496 3.281
397 HG21 THR 50 HG21 THR 50 13.865 10.075 2.472
398 HG22 THR 50 HG22 THR 50 12.647 11.333 2.263
399 HG23 THR 50 HG23 THR 50 12.693 10.388 3.751
400 H TYR 51 H TYR 51 11.100 13.478 3.180
401 HA TYR 51 HA TYR 51 10.273 12.867 5.932
402 HB2 TYR 51 HB2 TYR 51 8.932 14.736 6.140
403 HB3 TYR 51 HB3 TYR 51 10.281 15.397 5.224
404 HD1 TYR 51 HD1 TYR 51 9.976 15.195 2.579
405 HD2 TYR 51 HD2 TYR 51 6.800 15.226 5.411
406 HE1 TYR 51 HE1 TYR 51 8.423 15.937 0.821
407 HE2 TYR 51 HE2 TYR 51 5.239 15.967 3.661
408 HH TYR 51 HH TYR 51 5.844 15.760 0.449
409 H GLN 52 H GLN 52 7.827 12.499 6.012
410 HA GLN 52 HA GLN 52 6.986 11.042 3.592
411 HB2 GLN 52 HB2 GLN 52 7.650 9.677 5.679
412 HB3 GLN 52 HB3 GLN 52 6.144 10.264 6.372
413 HG2 GLN 52 HG2 GLN 52 5.646 8.159 5.481
414 HG3 GLN 52 HG3 GLN 52 4.993 9.323 4.328
415 HE21 GLN 52 HE21 GLN 52 5.056 8.006 2.564
416 HE22 GLN 52 HE22 GLN 52 6.521 7.443 1.844
417 HA PRO 53 HA PRO 53 3.469 13.714 3.648
418 HB2 PRO 53 HB2 PRO 53 1.927 12.318 1.905
419 HB3 PRO 53 HB3 PRO 53 3.314 13.288 1.396
420 HG2 PRO 53 HG2 PRO 53 3.128 10.333 1.834
421 HG3 PRO 53 HG3 PRO 53 3.922 11.221 0.521
422 HD2 PRO 53 HD2 PRO 53 5.290 10.190 2.618
423 HD3 PRO 53 HD3 PRO 53 5.790 11.680 1.791
424 H TYR 54 H TYR 54 3.434 10.402 4.605
425 HA TYR 54 HA TYR 54 0.665 10.372 5.412
426 HB2 TYR 54 HB2 TYR 54 1.475 8.260 4.768
427 HB3 TYR 54 HB3 TYR 54 2.958 8.446 5.696
428 HD1 TYR 54 HD2 TYR 54 2.954 8.112 8.127
429 HD2 TYR 54 HD1 TYR 54 -0.560 7.495 5.808
430 HE1 TYR 54 HE2 TYR 54 1.940 6.885 10.001
431 HE2 TYR 54 HE1 TYR 54 -1.585 6.267 7.677
432 HH TYR 54 HH TYR 54 -1.344 6.144 10.150
433 H LEU 55 H LEU 55 3.579 11.495 6.728
434 HA LEU 55 HA LEU 55 2.442 11.489 9.444
435 HB2 LEU 55 HB2 LEU 55 5.327 11.934 8.724
436 HB3 LEU 55 HB3 LEU 55 4.647 11.619 10.319
437 HG LEU 55 HG LEU 55 4.444 9.557 8.156
438 HD11 LEU 55 HD11 LEU 55 6.831 10.371 8.407
439 HD12 LEU 55 HD12 LEU 55 6.552 8.650 8.674
440 HD13 LEU 55 HD13 LEU 55 6.770 9.731 10.050
441 HD21 LEU 55 HD21 LEU 55 4.715 9.314 11.148
442 HD22 LEU 55 HD22 LEU 55 4.308 8.037 10.001
443 HD23 LEU 55 HD23 LEU 55 3.174 9.356 10.291
444 H ILE 56 H ILE 56 4.841 13.475 7.712
445 HA ILE 56 HA ILE 56 3.344 15.861 8.581
446 HB ILE 56 HB ILE 56 5.560 15.528 9.727
447 HG12 ILE 56 HG12 ILE 56 5.242 17.991 7.998
448 HG13 ILE 56 HG13 ILE 56 4.503 17.732 9.575
449 HG21 ILE 56 HG21 ILE 56 7.531 15.440 8.618
450 HG22 ILE 56 HG22 ILE 56 6.508 14.791 7.337
451 HG23 ILE 56 HG23 ILE 56 6.973 16.492 7.318
452 HD11 ILE 56 HD11 ILE 56 7.012 17.412 10.308
453 HD12 ILE 56 HD12 ILE 56 7.304 18.398 8.875
454 HD13 ILE 56 HD13 ILE 56 6.280 19.011 10.174
455 H GLN 57 H GLN 57 3.472 17.719 7.188
456 HA GLN 57 HA GLN 57 3.492 16.959 4.386
457 HB2 GLN 57 HB2 GLN 57 2.285 19.081 6.003
458 HB3 GLN 57 HB3 GLN 57 2.908 19.647 4.459
459 HG2 GLN 57 HG2 GLN 57 1.612 17.687 3.440
460 HG3 GLN 57 HG3 GLN 57 0.777 17.614 4.991
461 HE21 GLN 57 HE21 GLN 57 0.968 19.129 1.973
462 HE22 GLN 57 HE22 GLN 57 -0.214 20.360 2.242
463 HA PRO 58 HA PRO 58 7.270 18.824 3.169
464 HB2 PRO 58 HB2 PRO 58 6.616 20.235 0.944
465 HB3 PRO 58 HB3 PRO 58 6.671 18.468 0.979
466 HG2 PRO 58 HG2 PRO 58 4.309 20.295 1.192
467 HG3 PRO 58 HG3 PRO 58 4.481 18.792 0.267
468 HD2 PRO 58 HD2 PRO 58 3.205 18.897 2.653
469 HD3 PRO 58 HD3 PRO 58 4.106 17.465 2.114
470 H GLU 59 H GLU 59 4.611 21.191 2.969
471 HA GLU 59 HA GLU 59 6.210 23.489 3.182
472 HB2 GLU 59 HB2 GLU 59 3.681 23.197 2.568
473 HB3 GLU 59 HB3 GLU 59 3.430 23.410 4.295
474 HG2 GLU 59 HG2 GLU 59 4.764 25.544 4.095
475 HG3 GLU 59 HG3 GLU 59 4.637 25.349 2.348
476 H ASP 60 H ASP 60 4.799 21.382 5.608
477 HA ASP 60 HA ASP 60 5.291 23.058 7.842
478 HB2 ASP 60 HB2 ASP 60 4.177 20.468 7.366
479 HB3 ASP 60 HB3 ASP 60 5.369 20.337 8.656
480 H LEU 61 H LEU 61 7.118 20.412 6.354
481 HA LEU 61 HA LEU 61 9.217 20.413 8.260
482 HB2 LEU 61 HB2 LEU 61 10.115 18.742 7.035
483 HB3 LEU 61 HB3 LEU 61 8.489 18.706 6.356
484 HG LEU 61 HG LEU 61 9.571 20.377 4.610
485 HD11 LEU 61 HD11 LEU 61 11.818 19.514 6.134
486 HD12 LEU 61 HD12 LEU 61 11.769 20.605 4.750
487 HD13 LEU 61 HD13 LEU 61 11.954 18.870 4.498
488 HD21 LEU 61 HD21 LEU 61 10.444 17.645 4.040
489 HD22 LEU 61 HD22 LEU 61 9.301 18.677 3.180
490 HD23 LEU 61 HD23 LEU 61 8.774 17.765 4.595
491 H ARG 62 H ARG 62 8.539 22.313 5.438
492 HA ARG 62 HA ARG 62 11.107 23.240 4.825
493 HB2 ARG 62 HB2 ARG 62 9.080 23.577 3.417
494 HB3 ARG 62 HB3 ARG 62 8.512 24.769 4.577
495 HG2 ARG 62 HG2 ARG 62 9.537 26.266 3.290
496 HG3 ARG 62 HG3 ARG 62 11.037 25.660 3.995
497 HD2 ARG 62 HD2 ARG 62 11.339 25.634 1.646
498 HD3 ARG 62 HD3 ARG 62 11.089 23.960 2.138
499 HE ARG 62 HE ARG 62 9.118 23.931 0.956
500 HH11 ARG 62 HH11 ARG 62 10.266 27.206 1.243
501 HH12 ARG 62 HH12 ARG 62 9.115 27.846 0.117
502 HH21 ARG 62 HH21 ARG 62 7.599 24.762 -0.528
503 HH22 ARG 62 HH22 ARG 62 7.598 26.455 -0.889
504 H ASP 63 H ASP 63 8.706 24.426 7.133
505 HA ASP 63 HA ASP 63 10.096 26.757 7.904
506 HB2 ASP 63 HB2 ASP 63 7.820 26.688 8.494
507 HB3 ASP 63 HB3 ASP 63 7.964 25.088 9.216
508 H HIS 64 H HIS 64 10.229 23.425 9.018
509 HA HIS 64 HA HIS 64 11.721 23.817 11.358
510 HB2 HIS 64 HB2 HIS 64 10.572 21.669 10.292
511 HB3 HIS 64 HB3 HIS 64 12.208 21.381 9.708
512 HD1 HIS 64 HD1 HIS 64 10.146 20.456 12.388
513 HD2 HIS 64 HD2 HIS 64 14.097 21.713 12.123
514 HE1 HIS 64 HE1 HIS 64 11.247 19.664 14.506
515 H VAL 65 H VAL 65 12.710 23.455 7.995
516 HA VAL 65 HA VAL 65 15.452 23.121 8.348
517 HB VAL 65 HB VAL 65 14.158 24.690 6.116
518 HG11 VAL 65 HG11 VAL 65 16.460 22.962 5.568
519 HG12 VAL 65 HG12 VAL 65 16.122 24.610 5.033
520 HG13 VAL 65 HG13 VAL 65 16.808 24.323 6.633
521 HG21 VAL 65 HG21 VAL 65 12.967 22.708 6.049
522 HG22 VAL 65 HG22 VAL 65 14.324 22.361 4.978
523 HG23 VAL 65 HG23 VAL 65 14.328 21.749 6.632
524 H ASN 66 H ASN 66 13.525 26.086 8.187
525 HA ASN 66 HA ASN 66 15.670 27.906 8.219
526 HB2 ASN 66 HB2 ASN 66 12.865 28.055 8.170
527 HB3 ASN 66 HB3 ASN 66 13.358 28.943 9.608
528 HD21 ASN 66 HD21 ASN 66 13.259 31.013 9.102
529 HD22 ASN 66 HD22 ASN 66 13.961 31.745 7.703
530 H ASP 67 H ASP 67 14.139 26.060 10.727
531 HA ASP 67 HA ASP 67 14.865 27.558 12.976
532 HB2 ASP 67 HB2 ASP 67 13.393 25.384 12.703
533 HB3 ASP 67 HB3 ASP 67 14.907 24.570 13.089
534 H MET 68 H MET 68 16.762 25.646 10.835
535 HA MET 68 HA MET 68 18.918 25.082 12.606
536 HB2 MET 68 HB2 MET 68 18.882 25.227 9.586
537 HB3 MET 68 HB3 MET 68 20.171 24.529 10.558
538 HG2 MET 68 HG2 MET 68 18.964 22.664 11.079
539 HG3 MET 68 HG3 MET 68 17.415 23.488 10.919
540 HE1 MET 68 HE1 MET 68 17.589 20.658 9.865
541 HE2 MET 68 HE2 MET 68 16.186 21.659 9.492
542 HE3 MET 68 HE3 MET 68 16.992 20.755 8.209
543 H GLY 69 H GLY 69 17.860 27.926 11.120
544 HA2 GLY 69 HA2 GLY 69 18.767 30.054 11.535
545 HA3 GLY 69 HA3 GLY 69 20.292 29.296 11.968
546 H PHE 70 H PHE 70 19.720 27.704 9.302
547 HA PHE 70 HA PHE 70 21.212 29.604 7.655
548 HB2 PHE 70 HB2 PHE 70 20.748 26.629 7.426
549 HB3 PHE 70 HB3 PHE 70 21.550 27.573 6.174
550 HD1 PHE 70 HD1 PHE 70 21.749 27.029 9.861
551 HD2 PHE 70 HD2 PHE 70 23.840 27.642 6.205
552 HE1 PHE 70 HE1 PHE 70 23.890 26.771 11.046
553 HE2 PHE 70 HE2 PHE 70 25.984 27.385 7.383
554 HZ PHE 70 HZ PHE 70 26.011 26.948 9.807
555 H GLU 71 H GLU 71 20.711 29.468 5.237
556 HA GLU 71 HA GLU 71 17.792 29.644 4.896
557 HB2 GLU 71 HB2 GLU 71 19.867 30.965 3.152
558 HB3 GLU 71 HB3 GLU 71 18.142 31.298 3.216
559 HG2 GLU 71 HG2 GLU 71 18.433 32.137 5.524
560 HG3 GLU 71 HG3 GLU 71 20.172 31.902 5.353
561 H ALA 72 H ALA 72 16.838 28.231 3.593
562 HA ALA 72 HA ALA 72 18.501 26.794 1.626
563 HB1 ALA 72 HB1 ALA 72 17.354 24.795 2.045
564 HB2 ALA 72 HB2 ALA 72 17.657 25.478 3.643
565 HB3 ALA 72 HB3 ALA 72 16.058 25.618 2.914
566 H ALA 73 H ALA 73 17.709 26.529 -0.420
567 HA ALA 73 HA ALA 73 15.018 27.555 -0.997
568 HB1 ALA 73 HB1 ALA 73 16.084 29.424 -1.715
569 HB2 ALA 73 HB2 ALA 73 17.599 28.576 -2.026
570 HB3 ALA 73 HB3 ALA 73 16.267 28.451 -3.175
571 H ILE 74 H ILE 74 13.928 26.506 -2.603
572 HA ILE 74 HA ILE 74 14.488 23.883 -3.207
573 HB ILE 74 HB ILE 74 12.922 25.821 -4.914
574 HG12 ILE 74 HG12 ILE 74 11.795 23.844 -2.945
575 HG13 ILE 74 HG13 ILE 74 12.290 25.454 -2.433
576 HG21 ILE 74 HG21 ILE 74 13.212 22.844 -4.961
577 HG22 ILE 74 HG22 ILE 74 11.718 23.606 -5.504
578 HG23 ILE 74 HG23 ILE 74 13.244 23.992 -6.300
579 HD11 ILE 74 HD11 ILE 74 10.443 25.192 -4.747
580 HD12 ILE 74 HD12 ILE 74 9.819 24.955 -3.115
581 HD13 ILE 74 HD13 ILE 74 10.586 26.482 -3.553
582 H LYS 75 H LYS 75 15.929 22.896 -4.448
583 HA LYS 75 HA LYS 75 17.954 24.137 -5.846
584 HB2 LYS 75 HB2 LYS 75 17.636 21.648 -5.143
585 HB3 LYS 75 HB3 LYS 75 16.915 21.466 -6.737
586 HG2 LYS 75 HG2 LYS 75 18.949 22.165 -7.800
587 HG3 LYS 75 HG3 LYS 75 19.679 22.551 -6.240
588 HD2 LYS 75 HD2 LYS 75 19.685 20.241 -5.601
589 HD3 LYS 75 HD3 LYS 75 18.746 19.793 -7.027
590 HE2 LYS 75 HE2 LYS 75 21.077 19.227 -7.358
591 HE3 LYS 75 HE3 LYS 75 20.609 20.524 -8.457
592 HZ1 LYS 75 HZ1 LYS 75 22.661 21.173 -7.597
593 HZ2 LYS 75 HZ2 LYS 75 22.273 20.698 -6.021
594 HZ3 LYS 75 HZ3 LYS 75 21.546 22.070 -6.694
595 H SER 76 H SER 76 15.157 22.493 -7.338
596 HA SER 76 HA SER 76 15.681 23.714 -9.887
597 HB2 SER 76 HB2 SER 76 14.643 21.405 -9.484
598 HB3 SER 76 HB3 SER 76 13.150 22.266 -9.113
599 HG SER 76 HG SER 76 13.818 21.536 -11.439
Start of MODEL 14
1 H1 ALA 1 H ALA 1 4.004 4.037 -3.733
2 HA ALA 1 HA ALA 1 1.798 2.195 -4.006
3 HB1 ALA 1 HB1 ALA 1 4.620 1.393 -4.525
4 HB2 ALA 1 HB2 ALA 1 3.148 0.970 -5.399
5 HB3 ALA 1 HB3 ALA 1 3.855 2.575 -5.587
6 H GLY 2 H GLY 2 4.433 2.726 -1.808
7 HA2 GLY 2 HA2 GLY 2 3.708 1.550 0.403
8 HA3 GLY 2 HA3 GLY 2 4.012 0.107 -0.553
9 H HIS 3 H HIS 3 6.277 0.918 -1.959
10 HA HIS 3 HA HIS 3 8.233 1.180 0.230
11 HB2 HIS 3 HB2 HIS 3 8.592 -0.219 -2.428
12 HB3 HIS 3 HB3 HIS 3 9.772 -0.147 -1.124
13 HD1 HIS 3 HD1 HIS 3 8.001 -2.639 -2.485
14 HD2 HIS 3 HD2 HIS 3 7.886 -1.079 1.364
15 HE1 HIS 3 HE1 HIS 3 7.056 -4.471 -1.044
16 H MET 4 H MET 4 10.244 2.267 -0.276
17 HA MET 4 HA MET 4 11.210 4.276 -0.844
18 HB2 MET 4 HB2 MET 4 11.892 4.339 -3.183
19 HB3 MET 4 HB3 MET 4 12.026 2.704 -2.549
20 HG2 MET 4 HG2 MET 4 10.172 1.958 -3.749
21 HG3 MET 4 HG3 MET 4 9.595 3.595 -4.049
22 HE1 MET 4 HE1 MET 4 10.174 5.058 -5.670
23 HE2 MET 4 HE2 MET 4 11.148 4.773 -7.111
24 HE3 MET 4 HE3 MET 4 9.615 3.926 -6.901
25 H GLN 5 H GLN 5 8.522 4.691 -0.270
26 HA GLN 5 HA GLN 5 7.433 6.358 -2.391
27 HB2 GLN 5 HB2 GLN 5 5.976 4.833 -1.056
28 HB3 GLN 5 HB3 GLN 5 6.315 5.815 0.363
29 HG2 GLN 5 HG2 GLN 5 5.061 7.587 -0.390
30 HG3 GLN 5 HG3 GLN 5 5.211 7.111 -2.081
31 HE21 GLN 5 HE21 GLN 5 2.896 7.480 -2.119
32 HE22 GLN 5 HE22 GLN 5 1.832 6.220 -1.606
33 H GLU 6 H GLU 6 9.381 6.686 0.376
34 HA GLU 6 HA GLU 6 8.686 9.212 1.329
35 HB2 GLU 6 HB2 GLU 6 11.046 9.341 2.124
36 HB3 GLU 6 HB3 GLU 6 10.233 7.843 2.555
37 HG2 GLU 6 HG2 GLU 6 12.310 7.119 1.870
38 HG3 GLU 6 HG3 GLU 6 11.326 6.896 0.424
39 H ALA 7 H ALA 7 9.517 11.290 0.918
40 HA ALA 7 HA ALA 7 10.820 11.625 -1.703
41 HB1 ALA 7 HB1 ALA 7 8.789 13.577 -0.674
42 HB2 ALA 7 HB2 ALA 7 9.388 13.361 -2.319
43 HB3 ALA 7 HB3 ALA 7 8.312 12.158 -1.608
44 H VAL 8 H VAL 8 12.026 13.618 -1.953
45 HA VAL 8 HA VAL 8 12.933 14.742 0.618
46 HB VAL 8 HB VAL 8 14.767 14.585 -1.742
47 HG11 VAL 8 HG11 VAL 8 16.472 14.850 -0.170
48 HG12 VAL 8 HG12 VAL 8 15.184 15.900 0.425
49 HG13 VAL 8 HG13 VAL 8 15.450 14.320 1.166
50 HG21 VAL 8 HG21 VAL 8 14.257 12.328 -1.660
51 HG22 VAL 8 HG22 VAL 8 15.635 12.441 -0.566
52 HG23 VAL 8 HG23 VAL 8 13.999 12.344 0.085
53 H VAL 9 H VAL 9 13.579 16.930 0.619
54 HA VAL 9 HA VAL 9 12.687 18.478 -1.727
55 HB VAL 9 HB VAL 9 11.812 20.196 -0.311
56 HG11 VAL 9 HG11 VAL 9 10.654 17.972 1.203
57 HG12 VAL 9 HG12 VAL 9 9.882 19.140 0.128
58 HG13 VAL 9 HG13 VAL 9 10.690 17.722 -0.542
59 HG21 VAL 9 HG21 VAL 9 13.527 18.994 1.653
60 HG22 VAL 9 HG22 VAL 9 12.736 20.570 1.677
61 HG23 VAL 9 HG23 VAL 9 11.890 19.150 2.291
62 H LYS 10 H LYS 10 15.375 17.503 -0.631
63 HA LYS 10 HA LYS 10 17.087 19.166 0.454
64 HB2 LYS 10 HB2 LYS 10 18.796 18.358 -0.904
65 HB3 LYS 10 HB3 LYS 10 17.554 17.123 -1.071
66 HG2 LYS 10 HG2 LYS 10 18.031 19.364 -3.025
67 HG3 LYS 10 HG3 LYS 10 18.623 17.711 -3.207
68 HD2 LYS 10 HD2 LYS 10 15.727 18.546 -3.026
69 HD3 LYS 10 HD3 LYS 10 16.577 18.070 -4.498
70 HE2 LYS 10 HE2 LYS 10 17.027 15.859 -3.425
71 HE3 LYS 10 HE3 LYS 10 15.988 16.355 -2.090
72 HZ1 LYS 10 HZ1 LYS 10 14.116 16.277 -3.399
73 HZ2 LYS 10 HZ2 LYS 10 15.005 14.981 -4.024
74 HZ3 LYS 10 HZ3 LYS 10 14.970 16.458 -4.849
75 H LEU 11 H LEU 11 17.816 21.205 0.322
76 HA LEU 11 HA LEU 11 17.109 22.775 -2.067
77 HB2 LEU 11 HB2 LEU 11 17.189 23.915 0.709
78 HB3 LEU 11 HB3 LEU 11 16.512 24.635 -0.750
79 HG LEU 11 HG LEU 11 15.336 22.155 0.469
80 HD11 LEU 11 HD11 LEU 11 14.895 25.021 1.243
81 HD12 LEU 11 HD12 LEU 11 15.217 23.632 2.282
82 HD13 LEU 11 HD13 LEU 11 13.656 23.787 1.476
83 HD21 LEU 11 HD21 LEU 11 13.319 22.969 -0.685
84 HD22 LEU 11 HD22 LEU 11 14.656 22.671 -1.797
85 HD23 LEU 11 HD23 LEU 11 14.251 24.323 -1.326
86 H ARG 12 H ARG 12 18.349 25.074 -1.696
87 HA ARG 12 HA ARG 12 21.178 24.309 -1.501
88 HB2 ARG 12 HB2 ARG 12 20.056 25.408 -3.606
89 HB3 ARG 12 HB3 ARG 12 20.251 26.896 -2.689
90 HG2 ARG 12 HG2 ARG 12 22.688 26.313 -2.469
91 HG3 ARG 12 HG3 ARG 12 22.399 25.020 -3.634
92 HD2 ARG 12 HD2 ARG 12 21.779 26.569 -5.325
93 HD3 ARG 12 HD3 ARG 12 21.707 27.899 -4.170
94 HE ARG 12 HE ARG 12 24.020 26.935 -5.526
95 HH11 ARG 12 HH11 ARG 12 22.919 28.375 -2.554
96 HH12 ARG 12 HH12 ARG 12 24.444 29.115 -2.195
97 HH21 ARG 12 HH21 ARG 12 26.033 27.904 -5.065
98 HH22 ARG 12 HH22 ARG 12 26.214 28.847 -3.624
99 H VAL 13 H VAL 13 22.255 24.910 0.248
100 HA VAL 13 HA VAL 13 21.184 27.044 1.936
101 HB VAL 13 HB VAL 13 23.329 24.985 2.463
102 HG11 VAL 13 HG11 VAL 13 22.739 25.998 4.894
103 HG12 VAL 13 HG12 VAL 13 24.095 26.541 3.904
104 HG13 VAL 13 HG13 VAL 13 22.580 27.445 3.899
105 HG21 VAL 13 HG21 VAL 13 21.212 23.940 2.509
106 HG22 VAL 13 HG22 VAL 13 21.632 24.245 4.194
107 HG23 VAL 13 HG23 VAL 13 20.477 25.292 3.369
108 H GLU 14 H GLU 14 22.172 28.956 2.245
109 HA GLU 14 HA GLU 14 24.657 29.436 0.752
110 HB2 GLU 14 HB2 GLU 14 22.744 30.828 0.104
111 HB3 GLU 14 HB3 GLU 14 22.590 31.398 1.760
112 HG2 GLU 14 HG2 GLU 14 24.745 32.483 1.624
113 HG3 GLU 14 HG3 GLU 14 24.988 31.848 -0.002
114 H GLY 15 H GLY 15 23.101 29.964 3.885
115 HA2 GLY 15 HA2 GLY 15 25.079 31.428 5.166
116 HA3 GLY 15 HA3 GLY 15 23.996 30.303 5.972
117 H MET 16 H MET 16 24.712 27.878 5.201
118 HA MET 16 HA MET 16 26.911 27.213 6.696
119 HB2 MET 16 HB2 MET 16 25.201 25.626 5.800
120 HB3 MET 16 HB3 MET 16 25.993 25.721 4.233
121 HG2 MET 16 HG2 MET 16 26.933 23.819 5.062
122 HG3 MET 16 HG3 MET 16 28.108 25.017 5.599
123 HE1 MET 16 HE1 MET 16 27.669 26.005 8.649
124 HE2 MET 16 HE2 MET 16 28.526 24.520 9.062
125 HE3 MET 16 HE3 MET 16 28.889 25.357 7.552
126 H THR 17 H THR 17 29.079 26.888 6.339
127 HA THR 17 HA THR 17 30.173 27.465 3.692
128 HB THR 17 HB THR 17 31.974 28.876 4.998
129 HG1 THR 17 HG1 THR 17 29.637 29.391 6.544
130 HG21 THR 17 HG21 THR 17 30.384 30.920 4.665
131 HG22 THR 17 HG22 THR 17 29.298 29.721 3.962
132 HG23 THR 17 HG23 THR 17 30.899 29.975 3.268
133 H CYS 18 H CYS 18 30.993 26.697 7.071
134 HA CYS 18 HA CYS 18 33.113 24.917 6.073
135 HB2 CYS 18 HB2 CYS 18 32.787 26.011 8.873
136 HB3 CYS 18 HB3 CYS 18 34.170 25.128 8.238
137 HG CYS 18 HG CYS 18 34.997 27.739 8.481
138 H GLN 19 H GLN 19 33.490 23.296 8.228
139 HA GLN 19 HA GLN 19 31.006 21.732 8.233
140 HB2 GLN 19 HB2 GLN 19 32.537 19.851 8.956
141 HB3 GLN 19 HB3 GLN 19 32.796 20.465 7.329
142 HG2 GLN 19 HG2 GLN 19 34.846 21.262 7.805
143 HG3 GLN 19 HG3 GLN 19 34.404 21.725 9.447
144 HE21 GLN 19 HE21 GLN 19 34.973 20.440 11.085
145 HE22 GLN 19 HE22 GLN 19 35.709 18.886 10.918
146 H SER 20 H SER 20 30.021 22.931 9.926
147 HA SER 20 HA SER 20 30.870 22.039 12.567
148 HB2 SER 20 HB2 SER 20 30.418 24.442 13.411
149 HB3 SER 20 HB3 SER 20 31.962 24.118 12.623
150 HG SER 20 HG SER 20 31.435 25.474 11.115
151 H CYS 21 H CYS 21 28.535 24.309 11.105
152 HA CYS 21 HA CYS 21 26.452 23.730 12.896
153 HB2 CYS 21 HB2 CYS 21 26.193 24.735 10.055
154 HB3 CYS 21 HB3 CYS 21 25.004 24.910 11.341
155 HG CYS 21 HG CYS 21 28.116 26.318 11.494
156 H VAL 22 H VAL 22 27.629 22.034 10.147
157 HA VAL 22 HA VAL 22 25.405 20.672 9.228
158 HB VAL 22 HB VAL 22 28.223 19.623 9.522
159 HG11 VAL 22 HG11 VAL 22 27.111 18.357 7.364
160 HG12 VAL 22 HG12 VAL 22 27.308 17.655 8.971
161 HG13 VAL 22 HG13 VAL 22 25.773 18.394 8.512
162 HG21 VAL 22 HG21 VAL 22 28.533 21.344 8.074
163 HG22 VAL 22 HG22 VAL 22 27.968 20.139 6.916
164 HG23 VAL 22 HG23 VAL 22 26.851 21.350 7.545
165 H SER 23 H SER 23 27.534 19.841 11.943
166 HA SER 23 HA SER 23 26.269 17.412 12.610
167 HB2 SER 23 HB2 SER 23 28.331 19.121 13.734
168 HB3 SER 23 HB3 SER 23 27.304 18.438 14.995
169 HG SER 23 HG SER 23 28.638 16.981 12.954
170 H SER 24 H SER 24 25.687 20.744 13.589
171 HA SER 24 HA SER 24 23.822 20.160 15.641
172 HB2 SER 24 HB2 SER 24 23.480 22.462 15.789
173 HB3 SER 24 HB3 SER 24 25.106 22.373 15.113
174 HG SER 24 HG SER 24 24.014 23.799 13.851
175 H ILE 25 H ILE 25 23.481 20.900 12.199
176 HA ILE 25 HA ILE 25 20.657 20.990 12.164
177 HB ILE 25 HB ILE 25 22.517 20.269 9.896
178 HG12 ILE 25 HG12 ILE 25 21.356 22.970 10.025
179 HG13 ILE 25 HG13 ILE 25 22.510 22.615 11.305
180 HG21 ILE 25 HG21 ILE 25 19.720 21.387 9.802
181 HG22 ILE 25 HG22 ILE 25 20.723 20.913 8.432
182 HG23 ILE 25 HG23 ILE 25 20.129 19.690 9.554
183 HD11 ILE 25 HD11 ILE 25 24.121 23.130 9.882
184 HD12 ILE 25 HD12 ILE 25 23.698 21.688 8.959
185 HD13 ILE 25 HD13 ILE 25 22.975 23.243 8.547
186 H GLU 26 H GLU 26 22.969 18.372 11.921
187 HA GLU 26 HA GLU 26 21.248 16.386 10.918
188 HB2 GLU 26 HB2 GLU 26 23.924 16.542 11.816
189 HB3 GLU 26 HB3 GLU 26 23.158 15.258 12.741
190 HG2 GLU 26 HG2 GLU 26 22.432 14.201 10.651
191 HG3 GLU 26 HG3 GLU 26 23.244 15.473 9.740
192 H GLY 27 H GLY 27 21.932 17.481 14.205
193 HA2 GLY 27 HA2 GLY 27 20.526 15.441 15.560
194 HA3 GLY 27 HA3 GLY 27 20.907 17.029 16.209
195 H LYS 28 H LYS 28 19.414 18.140 13.758
196 HA LYS 28 HA LYS 28 16.979 18.660 15.060
197 HB2 LYS 28 HB2 LYS 28 18.303 19.673 12.862
198 HB3 LYS 28 HB3 LYS 28 16.884 18.921 12.147
199 HG2 LYS 28 HG2 LYS 28 16.391 21.214 12.598
200 HG3 LYS 28 HG3 LYS 28 15.468 20.212 13.720
201 HD2 LYS 28 HD2 LYS 28 18.076 20.935 14.775
202 HD3 LYS 28 HD3 LYS 28 17.097 22.350 14.382
203 HE2 LYS 28 HE2 LYS 28 15.858 20.091 15.885
204 HE3 LYS 28 HE3 LYS 28 16.927 21.204 16.738
205 HZ1 LYS 28 HZ1 LYS 28 15.403 22.815 16.689
206 HZ2 LYS 28 HZ2 LYS 28 14.289 21.592 16.335
207 HZ3 LYS 28 HZ3 LYS 28 14.964 22.509 15.084
208 H VAL 29 H VAL 29 17.817 16.389 12.475
209 HA VAL 29 HA VAL 29 15.300 15.463 11.802
210 HB VAL 29 HB VAL 29 17.494 14.828 10.718
211 HG11 VAL 29 HG11 VAL 29 18.929 13.323 11.629
212 HG12 VAL 29 HG12 VAL 29 18.277 13.990 13.127
213 HG13 VAL 29 HG13 VAL 29 17.656 12.465 12.495
214 HG21 VAL 29 HG21 VAL 29 15.141 13.147 11.176
215 HG22 VAL 29 HG22 VAL 29 15.929 13.610 9.668
216 HG23 VAL 29 HG23 VAL 29 16.562 12.265 10.617
217 H ARG 30 H ARG 30 17.252 14.738 14.613
218 HA ARG 30 HA ARG 30 15.863 12.452 15.498
219 HB2 ARG 30 HB2 ARG 30 18.114 13.351 16.309
220 HB3 ARG 30 HB3 ARG 30 17.188 14.465 17.307
221 HG2 ARG 30 HG2 ARG 30 16.014 12.345 18.189
222 HG3 ARG 30 HG3 ARG 30 17.396 11.490 17.500
223 HD2 ARG 30 HD2 ARG 30 17.758 13.832 19.339
224 HD3 ARG 30 HD3 ARG 30 17.512 12.202 19.965
225 HE ARG 30 HE ARG 30 19.603 12.323 18.021
226 HH11 ARG 30 HH11 ARG 30 18.831 12.875 21.370
227 HH12 ARG 30 HH12 ARG 30 20.457 12.640 21.919
228 HH21 ARG 30 HH21 ARG 30 21.748 12.011 18.732
229 HH22 ARG 30 HH22 ARG 30 22.116 12.149 20.418
230 H LYS 31 H LYS 31 15.149 15.840 15.669
231 HA LYS 31 HA LYS 31 13.020 15.422 17.624
232 HB2 LYS 31 HB2 LYS 31 13.912 17.974 16.268
233 HB3 LYS 31 HB3 LYS 31 12.786 17.850 17.614
234 HG2 LYS 31 HG2 LYS 31 15.583 16.812 17.850
235 HG3 LYS 31 HG3 LYS 31 15.218 18.522 18.094
236 HD2 LYS 31 HD2 LYS 31 13.480 17.783 19.771
237 HD3 LYS 31 HD3 LYS 31 14.166 16.162 19.644
238 HE2 LYS 31 HE2 LYS 31 15.553 18.671 20.574
239 HE3 LYS 31 HE3 LYS 31 15.141 17.257 21.542
240 HZ1 LYS 31 HZ1 LYS 31 17.200 17.490 19.432
241 HZ2 LYS 31 HZ2 LYS 31 16.637 15.988 19.966
242 HZ3 LYS 31 HZ3 LYS 31 17.402 17.038 21.049
243 H LEU 32 H LEU 32 13.475 15.532 14.258
244 HA LEU 32 HA LEU 32 10.870 16.500 13.549
245 HB2 LEU 32 HB2 LEU 32 13.249 15.487 12.153
246 HB3 LEU 32 HB3 LEU 32 11.716 15.148 11.352
247 HG LEU 32 HG LEU 32 12.688 17.168 10.457
248 HD11 LEU 32 HD11 LEU 32 10.192 16.952 10.854
249 HD12 LEU 32 HD12 LEU 32 10.817 18.583 10.613
250 HD13 LEU 32 HD13 LEU 32 10.424 18.021 12.237
251 HD21 LEU 32 HD21 LEU 32 12.657 18.165 13.303
252 HD22 LEU 32 HD22 LEU 32 13.004 19.154 11.885
253 HD23 LEU 32 HD23 LEU 32 14.082 17.827 12.320
254 H GLN 33 H GLN 33 9.040 15.379 13.137
255 HA GLN 33 HA GLN 33 8.962 12.610 13.996
256 HB2 GLN 33 HB2 GLN 33 7.233 14.160 14.776
257 HB3 GLN 33 HB3 GLN 33 6.747 14.470 13.115
258 HG2 GLN 33 HG2 GLN 33 5.906 12.277 12.852
259 HG3 GLN 33 HG3 GLN 33 6.654 11.737 14.354
260 HE21 GLN 33 HE21 GLN 33 5.373 11.615 16.045
261 HE22 GLN 33 HE22 GLN 33 3.890 12.474 16.266
262 H GLY 34 H GLY 34 7.417 14.253 11.230
263 HA2 GLY 34 HA2 GLY 34 7.103 11.936 9.691
264 HA3 GLY 34 HA3 GLY 34 7.096 13.577 9.062
265 H VAL 35 H VAL 35 9.569 14.491 9.346
266 HA VAL 35 HA VAL 35 11.020 13.581 7.252
267 HB VAL 35 HB VAL 35 11.516 15.339 9.398
268 HG11 VAL 35 HG11 VAL 35 13.838 13.470 8.930
269 HG12 VAL 35 HG12 VAL 35 13.878 14.956 9.880
270 HG13 VAL 35 HG13 VAL 35 12.895 13.593 10.415
271 HG21 VAL 35 HG21 VAL 35 11.804 15.416 6.773
272 HG22 VAL 35 HG22 VAL 35 12.717 16.492 7.831
273 HG23 VAL 35 HG23 VAL 35 13.477 15.038 7.184
274 H VAL 36 H VAL 36 12.399 11.956 6.776
275 HA VAL 36 HA VAL 36 12.599 9.777 8.702
276 HB VAL 36 HB VAL 36 13.687 9.682 5.906
277 HG11 VAL 36 HG11 VAL 36 13.560 7.390 6.119
278 HG12 VAL 36 HG12 VAL 36 13.958 7.875 7.769
279 HG13 VAL 36 HG13 VAL 36 12.295 7.467 7.345
280 HG21 VAL 36 HG21 VAL 36 10.814 9.492 6.767
281 HG22 VAL 36 HG22 VAL 36 11.514 10.484 5.488
282 HG23 VAL 36 HG23 VAL 36 11.405 8.735 5.287
283 H ARG 37 H ARG 37 14.729 11.796 6.704
284 HA ARG 37 HA ARG 37 16.789 11.756 8.682
285 HB2 ARG 37 HB2 ARG 37 16.851 9.545 7.121
286 HB3 ARG 37 HB3 ARG 37 17.831 10.638 6.152
287 HG2 ARG 37 HG2 ARG 37 19.324 11.000 8.034
288 HG3 ARG 37 HG3 ARG 37 18.325 9.951 9.042
289 HD2 ARG 37 HD2 ARG 37 19.499 8.964 6.467
290 HD3 ARG 37 HD3 ARG 37 20.448 8.972 7.953
291 HE ARG 37 HE ARG 37 18.317 7.180 7.273
292 HH11 ARG 37 HH11 ARG 37 20.034 8.688 9.899
293 HH12 ARG 37 HH12 ARG 37 19.644 7.444 11.041
294 HH21 ARG 37 HH21 ARG 37 17.796 5.537 8.767
295 HH22 ARG 37 HH22 ARG 37 18.371 5.652 10.395
296 H VAL 38 H VAL 38 18.590 13.131 8.127
297 HA VAL 38 HA VAL 38 18.100 14.866 5.799
298 HB VAL 38 HB VAL 38 17.303 16.012 7.820
299 HG11 VAL 38 HG11 VAL 38 19.088 14.768 9.253
300 HG12 VAL 38 HG12 VAL 38 20.101 16.158 8.857
301 HG13 VAL 38 HG13 VAL 38 18.574 16.393 9.708
302 HG21 VAL 38 HG21 VAL 38 19.769 17.085 6.479
303 HG22 VAL 38 HG22 VAL 38 18.080 17.460 6.135
304 HG23 VAL 38 HG23 VAL 38 18.827 18.040 7.623
305 H LYS 39 H LYS 39 19.820 15.109 4.536
306 HA LYS 39 HA LYS 39 22.471 14.457 5.646
307 HB2 LYS 39 HB2 LYS 39 21.310 13.079 3.698
308 HB3 LYS 39 HB3 LYS 39 21.955 14.382 2.708
309 HG2 LYS 39 HG2 LYS 39 23.710 12.963 2.589
310 HG3 LYS 39 HG3 LYS 39 24.159 13.803 4.075
311 HD2 LYS 39 HD2 LYS 39 24.409 11.483 4.505
312 HD3 LYS 39 HD3 LYS 39 22.935 11.991 5.331
313 HE2 LYS 39 HE2 LYS 39 21.557 10.980 3.721
314 HE3 LYS 39 HE3 LYS 39 22.877 10.830 2.562
315 HZ1 LYS 39 HZ1 LYS 39 23.724 9.009 3.620
316 HZ2 LYS 39 HZ2 LYS 39 22.079 8.784 3.941
317 HZ3 LYS 39 HZ3 LYS 39 23.092 9.431 5.132
318 H VAL 40 H VAL 40 23.864 16.080 5.777
319 HA VAL 40 HA VAL 40 23.414 18.458 4.097
320 HB VAL 40 HB VAL 40 24.824 18.290 6.765
321 HG11 VAL 40 HG11 VAL 40 24.592 20.835 6.571
322 HG12 VAL 40 HG12 VAL 40 25.846 20.048 5.611
323 HG13 VAL 40 HG13 VAL 40 24.335 20.548 4.851
324 HG21 VAL 40 HG21 VAL 40 22.896 19.603 7.586
325 HG22 VAL 40 HG22 VAL 40 22.117 19.394 6.018
326 HG23 VAL 40 HG23 VAL 40 22.442 17.991 7.036
327 H SER 41 H SER 41 24.912 18.973 2.643
328 HA SER 41 HA SER 41 27.537 17.649 2.824
329 HB2 SER 41 HB2 SER 41 25.816 17.357 0.803
330 HB3 SER 41 HB3 SER 41 26.605 18.836 0.254
331 HG SER 41 HG SER 41 28.586 17.393 0.930
332 H LEU 42 H LEU 42 28.908 19.046 3.750
333 HA LEU 42 HA LEU 42 28.721 21.867 3.513
334 HB2 LEU 42 HB2 LEU 42 31.029 21.813 4.522
335 HB3 LEU 42 HB3 LEU 42 29.753 21.032 5.453
336 HG LEU 42 HG LEU 42 31.063 19.111 3.761
337 HD11 LEU 42 HD11 LEU 42 33.094 20.157 3.763
338 HD12 LEU 42 HD12 LEU 42 33.205 19.266 5.280
339 HD13 LEU 42 HD13 LEU 42 32.796 20.982 5.293
340 HD21 LEU 42 HD21 LEU 42 30.596 19.504 6.697
341 HD22 LEU 42 HD22 LEU 42 31.555 18.153 6.092
342 HD23 LEU 42 HD23 LEU 42 29.869 18.326 5.604
343 H SER 43 H SER 43 30.404 19.394 1.720
344 HA SER 43 HA SER 43 32.234 21.099 0.379
345 HB2 SER 43 HB2 SER 43 32.951 19.209 -0.681
346 HB3 SER 43 HB3 SER 43 32.026 18.422 0.597
347 HG SER 43 HG SER 43 31.151 17.518 -1.128
348 H ASN 44 H ASN 44 28.918 20.172 -0.192
349 HA ASN 44 HA ASN 44 28.928 21.589 -2.763
350 HB2 ASN 44 HB2 ASN 44 27.709 19.200 -1.941
351 HB3 ASN 44 HB3 ASN 44 26.396 20.366 -2.080
352 HD21 ASN 44 HD21 ASN 44 25.851 21.181 -4.071
353 HD22 ASN 44 HD22 ASN 44 26.468 20.534 -5.550
354 H GLN 45 H GLN 45 28.437 22.263 0.395
355 HA GLN 45 HA GLN 45 27.270 23.827 1.578
356 HB2 GLN 45 HB2 GLN 45 27.145 25.332 -1.032
357 HB3 GLN 45 HB3 GLN 45 27.177 25.998 0.595
358 HG2 GLN 45 HG2 GLN 45 29.467 25.175 0.877
359 HG3 GLN 45 HG3 GLN 45 29.432 24.545 -0.769
360 HE21 GLN 45 HE21 GLN 45 31.407 26.212 -0.211
361 HE22 GLN 45 HE22 GLN 45 31.146 27.769 -0.914
362 H GLU 46 H GLU 46 25.654 21.757 0.612
363 HA GLU 46 HA GLU 46 23.114 23.194 0.249
364 HB2 GLU 46 HB2 GLU 46 22.388 21.822 -1.449
365 HB3 GLU 46 HB3 GLU 46 24.106 21.899 -1.813
366 HG2 GLU 46 HG2 GLU 46 24.187 19.765 -0.278
367 HG3 GLU 46 HG3 GLU 46 22.491 19.648 -0.744
368 H ALA 47 H ALA 47 21.245 22.101 1.087
369 HA ALA 47 HA ALA 47 21.899 20.100 3.152
370 HB1 ALA 47 HB1 ALA 47 21.394 22.239 4.179
371 HB2 ALA 47 HB2 ALA 47 19.862 22.318 3.309
372 HB3 ALA 47 HB3 ALA 47 20.118 21.074 4.533
373 H VAL 48 H VAL 48 20.891 18.216 2.946
374 HA VAL 48 HA VAL 48 18.522 18.077 1.205
375 HB VAL 48 HB VAL 48 20.481 15.908 1.969
376 HG11 VAL 48 HG11 VAL 48 18.873 15.112 -0.197
377 HG12 VAL 48 HG12 VAL 48 18.902 14.439 1.435
378 HG13 VAL 48 HG13 VAL 48 17.779 15.739 1.035
379 HG21 VAL 48 HG21 VAL 48 21.663 16.560 0.207
380 HG22 VAL 48 HG22 VAL 48 20.261 16.316 -0.833
381 HG23 VAL 48 HG23 VAL 48 20.531 17.883 -0.071
382 H ILE 49 H ILE 49 16.615 17.585 2.066
383 HA ILE 49 HA ILE 49 16.563 16.313 4.724
384 HB ILE 49 HB ILE 49 14.655 18.410 3.682
385 HG12 ILE 49 HG12 ILE 49 16.054 18.978 6.169
386 HG13 ILE 49 HG13 ILE 49 17.172 18.731 4.832
387 HG21 ILE 49 HG21 ILE 49 13.980 18.276 6.212
388 HG22 ILE 49 HG22 ILE 49 13.303 17.148 5.038
389 HG23 ILE 49 HG23 ILE 49 14.633 16.643 6.080
390 HD11 ILE 49 HD11 ILE 49 16.343 20.541 3.646
391 HD12 ILE 49 HD12 ILE 49 14.831 20.568 4.553
392 HD13 ILE 49 HD13 ILE 49 16.327 21.102 5.318
393 H THR 50 H THR 50 15.815 14.313 4.517
394 HA THR 50 HA THR 50 13.917 13.673 2.392
395 HB THR 50 HB THR 50 15.269 11.784 4.327
396 HG1 THR 50 HG1 THR 50 16.770 12.903 2.960
397 HG21 THR 50 HG21 THR 50 13.266 11.460 2.255
398 HG22 THR 50 HG22 THR 50 13.832 10.306 3.463
399 HG23 THR 50 HG23 THR 50 14.699 10.484 1.938
400 H TYR 51 H TYR 51 11.809 13.542 2.761
401 HA TYR 51 HA TYR 51 10.873 12.817 5.449
402 HB2 TYR 51 HB2 TYR 51 9.405 14.604 5.619
403 HB3 TYR 51 HB3 TYR 51 10.792 15.360 4.843
404 HD1 TYR 51 HD1 TYR 51 10.663 15.018 2.117
405 HD2 TYR 51 HD2 TYR 51 7.367 15.273 4.796
406 HE1 TYR 51 HE1 TYR 51 9.224 15.766 0.267
407 HE2 TYR 51 HE2 TYR 51 5.920 16.021 2.954
408 HH TYR 51 HH TYR 51 7.003 15.997 -0.361
409 H GLN 52 H GLN 52 8.389 12.430 5.342
410 HA GLN 52 HA GLN 52 7.781 10.952 2.867
411 HB2 GLN 52 HB2 GLN 52 7.520 10.139 5.731
412 HB3 GLN 52 HB3 GLN 52 6.358 9.520 4.564
413 HG2 GLN 52 HG2 GLN 52 8.137 8.541 3.257
414 HG3 GLN 52 HG3 GLN 52 9.346 9.236 4.336
415 HE21 GLN 52 HE21 GLN 52 8.803 8.670 6.743
416 HE22 GLN 52 HE22 GLN 52 8.513 6.992 7.032
417 HA PRO 53 HA PRO 53 4.168 13.483 2.692
418 HB2 PRO 53 HB2 PRO 53 2.776 12.019 0.879
419 HB3 PRO 53 HB3 PRO 53 4.158 13.031 0.440
420 HG2 PRO 53 HG2 PRO 53 4.045 10.075 0.900
421 HG3 PRO 53 HG3 PRO 53 4.884 10.977 -0.375
422 HD2 PRO 53 HD2 PRO 53 6.162 10.012 1.809
423 HD3 PRO 53 HD3 PRO 53 6.658 11.510 0.995
424 H TYR 54 H TYR 54 4.149 10.142 3.607
425 HA TYR 54 HA TYR 54 1.352 10.059 4.290
426 HB2 TYR 54 HB2 TYR 54 2.197 7.961 3.694
427 HB3 TYR 54 HB3 TYR 54 3.670 8.179 4.633
428 HD1 TYR 54 HD2 TYR 54 3.646 7.867 7.072
429 HD2 TYR 54 HD1 TYR 54 0.184 7.128 4.711
430 HE1 TYR 54 HE2 TYR 54 2.645 6.619 8.941
431 HE2 TYR 54 HE1 TYR 54 -0.826 5.879 6.574
432 HH TYR 54 HH TYR 54 -0.666 5.441 8.799
433 H LEU 55 H LEU 55 4.170 11.238 5.756
434 HA LEU 55 HA LEU 55 2.916 11.164 8.419
435 HB2 LEU 55 HB2 LEU 55 5.808 11.569 7.669
436 HB3 LEU 55 HB3 LEU 55 5.168 11.592 9.311
437 HG LEU 55 HG LEU 55 5.135 9.197 7.475
438 HD11 LEU 55 HD11 LEU 55 6.969 8.340 8.669
439 HD12 LEU 55 HD12 LEU 55 6.856 9.593 9.905
440 HD13 LEU 55 HD13 LEU 55 7.403 10.005 8.280
441 HD21 LEU 55 HD21 LEU 55 3.314 9.250 9.126
442 HD22 LEU 55 HD22 LEU 55 4.502 9.443 10.415
443 HD23 LEU 55 HD23 LEU 55 4.474 7.963 9.456
444 H ILE 56 H ILE 56 5.389 13.286 7.007
445 HA ILE 56 HA ILE 56 3.703 15.587 7.752
446 HB ILE 56 HB ILE 56 5.845 15.333 9.040
447 HG12 ILE 56 HG12 ILE 56 5.566 17.800 7.310
448 HG13 ILE 56 HG13 ILE 56 4.720 17.500 8.824
449 HG21 ILE 56 HG21 ILE 56 7.876 15.266 8.069
450 HG22 ILE 56 HG22 ILE 56 6.968 14.689 6.673
451 HG23 ILE 56 HG23 ILE 56 7.419 16.390 6.790
452 HD11 ILE 56 HD11 ILE 56 6.378 18.482 9.900
453 HD12 ILE 56 HD12 ILE 56 7.468 17.207 9.353
454 HD13 ILE 56 HD13 ILE 56 7.276 18.674 8.394
455 H GLN 57 H GLN 57 3.831 17.473 6.403
456 HA GLN 57 HA GLN 57 4.075 16.774 3.596
457 HB2 GLN 57 HB2 GLN 57 2.671 18.817 5.164
458 HB3 GLN 57 HB3 GLN 57 3.345 19.417 3.655
459 HG2 GLN 57 HG2 GLN 57 2.204 17.344 2.607
460 HG3 GLN 57 HG3 GLN 57 1.254 17.333 4.092
461 HE21 GLN 57 HE21 GLN 57 -0.506 18.540 4.145
462 HE22 GLN 57 HE22 GLN 57 -0.888 19.821 3.051
463 HA PRO 58 HA PRO 58 7.833 18.841 2.681
464 HB2 PRO 58 HB2 PRO 58 7.269 20.240 0.424
465 HB3 PRO 58 HB3 PRO 58 7.416 18.479 0.451
466 HG2 PRO 58 HG2 PRO 58 4.950 20.176 0.502
467 HG3 PRO 58 HG3 PRO 58 5.269 18.694 -0.418
468 HD2 PRO 58 HD2 PRO 58 3.818 18.705 1.868
469 HD3 PRO 58 HD3 PRO 58 4.832 17.329 1.386
470 H GLU 59 H GLU 59 5.069 21.063 2.313
471 HA GLU 59 HA GLU 59 6.524 23.441 2.656
472 HB2 GLU 59 HB2 GLU 59 3.622 22.750 3.060
473 HB3 GLU 59 HB3 GLU 59 4.236 24.372 3.348
474 HG2 GLU 59 HG2 GLU 59 5.020 24.476 1.028
475 HG3 GLU 59 HG3 GLU 59 4.361 22.865 0.745
476 H ASP 60 H ASP 60 5.031 21.248 4.958
477 HA ASP 60 HA ASP 60 5.278 22.919 7.233
478 HB2 ASP 60 HB2 ASP 60 4.363 20.260 6.657
479 HB3 ASP 60 HB3 ASP 60 5.427 20.216 8.061
480 H LEU 61 H LEU 61 7.337 20.369 5.881
481 HA LEU 61 HA LEU 61 9.290 20.481 7.937
482 HB2 LEU 61 HB2 LEU 61 10.360 18.849 6.793
483 HB3 LEU 61 HB3 LEU 61 8.783 18.718 6.019
484 HG LEU 61 HG LEU 61 9.879 20.424 4.316
485 HD11 LEU 61 HD11 LEU 61 12.049 19.837 5.991
486 HD12 LEU 61 HD12 LEU 61 12.073 20.706 4.457
487 HD13 LEU 61 HD13 LEU 61 12.339 18.963 4.487
488 HD21 LEU 61 HD21 LEU 61 10.897 17.695 3.901
489 HD22 LEU 61 HD22 LEU 61 9.859 18.691 2.880
490 HD23 LEU 61 HD23 LEU 61 9.172 17.816 4.249
491 H ARG 62 H ARG 62 8.735 22.314 5.042
492 HA ARG 62 HA ARG 62 11.290 23.356 4.599
493 HB2 ARG 62 HB2 ARG 62 8.593 23.907 3.722
494 HB3 ARG 62 HB3 ARG 62 9.472 25.407 3.991
495 HG2 ARG 62 HG2 ARG 62 10.830 23.264 2.454
496 HG3 ARG 62 HG3 ARG 62 9.518 24.148 1.671
497 HD2 ARG 62 HD2 ARG 62 11.981 25.354 2.927
498 HD3 ARG 62 HD3 ARG 62 11.675 25.181 1.200
499 HE ARG 62 HE ARG 62 10.703 27.238 2.903
500 HH11 ARG 62 HH11 ARG 62 9.870 25.302 0.132
501 HH12 ARG 62 HH12 ARG 62 8.794 26.484 -0.534
502 HH21 ARG 62 HH21 ARG 62 9.289 28.803 2.035
503 HH22 ARG 62 HH22 ARG 62 8.464 28.476 0.549
504 H ASP 63 H ASP 63 8.688 24.454 6.728
505 HA ASP 63 HA ASP 63 9.934 26.844 7.570
506 HB2 ASP 63 HB2 ASP 63 7.631 26.722 7.999
507 HB3 ASP 63 HB3 ASP 63 7.756 25.117 8.714
508 H HIS 64 H HIS 64 10.119 23.525 8.702
509 HA HIS 64 HA HIS 64 11.416 23.996 11.149
510 HB2 HIS 64 HB2 HIS 64 10.422 21.794 9.982
511 HB3 HIS 64 HB3 HIS 64 12.128 21.548 9.623
512 HD1 HIS 64 HD1 HIS 64 13.533 22.295 12.124
513 HD2 HIS 64 HD2 HIS 64 9.884 20.309 12.166
514 HE1 HIS 64 HE1 HIS 64 13.411 21.160 14.365
515 H VAL 65 H VAL 65 12.631 23.687 7.866
516 HA VAL 65 HA VAL 65 15.364 23.434 8.441
517 HB VAL 65 HB VAL 65 14.189 24.854 6.050
518 HG11 VAL 65 HG11 VAL 65 16.387 25.180 5.688
519 HG12 VAL 65 HG12 VAL 65 16.868 23.901 6.804
520 HG13 VAL 65 HG13 VAL 65 16.355 23.496 5.165
521 HG21 VAL 65 HG21 VAL 65 14.464 21.933 6.672
522 HG22 VAL 65 HG22 VAL 65 13.065 22.807 6.049
523 HG23 VAL 65 HG23 VAL 65 14.459 22.519 5.009
524 H ASN 66 H ASN 66 13.351 26.311 7.943
525 HA ASN 66 HA ASN 66 15.427 28.206 8.100
526 HB2 ASN 66 HB2 ASN 66 12.816 28.364 7.472
527 HB3 ASN 66 HB3 ASN 66 12.747 28.969 9.124
528 HD21 ASN 66 HD21 ASN 66 12.806 29.986 6.109
529 HD22 ASN 66 HD22 ASN 66 13.697 31.457 6.266
530 H ASP 67 H ASP 67 13.858 26.325 10.501
531 HA ASP 67 HA ASP 67 14.129 27.960 12.756
532 HB2 ASP 67 HB2 ASP 67 12.947 25.661 12.476
533 HB3 ASP 67 HB3 ASP 67 14.519 24.984 12.893
534 H MET 68 H MET 68 16.484 26.276 10.897
535 HA MET 68 HA MET 68 18.492 26.110 12.926
536 HB2 MET 68 HB2 MET 68 18.649 25.926 9.915
537 HB3 MET 68 HB3 MET 68 20.020 25.662 10.984
538 HG2 MET 68 HG2 MET 68 17.477 24.055 10.931
539 HG3 MET 68 HG3 MET 68 19.039 23.561 10.282
540 HE1 MET 68 HE1 MET 68 20.845 24.756 13.414
541 HE2 MET 68 HE2 MET 68 21.303 23.079 13.117
542 HE3 MET 68 HE3 MET 68 21.078 24.186 11.761
543 H GLY 69 H GLY 69 17.246 28.652 11.080
544 HA2 GLY 69 HA2 GLY 69 17.837 30.912 11.414
545 HA3 GLY 69 HA3 GLY 69 19.414 30.390 11.990
546 H PHE 70 H PHE 70 19.355 28.548 9.482
547 HA PHE 70 HA PHE 70 20.753 30.448 7.799
548 HB2 PHE 70 HB2 PHE 70 20.285 27.538 7.174
549 HB3 PHE 70 HB3 PHE 70 21.591 28.577 6.615
550 HD1 PHE 70 HD2 PHE 70 22.683 29.781 8.943
551 HD2 PHE 70 HD1 PHE 70 21.123 25.849 8.473
552 HE1 PHE 70 HE2 PHE 70 24.097 29.002 10.800
553 HE2 PHE 70 HE1 PHE 70 22.534 25.063 10.329
554 HZ PHE 70 HZ PHE 70 24.024 26.640 11.495
555 H GLU 71 H GLU 71 20.389 30.264 5.372
556 HA GLU 71 HA GLU 71 17.490 30.325 4.857
557 HB2 GLU 71 HB2 GLU 71 19.593 31.712 3.205
558 HB3 GLU 71 HB3 GLU 71 17.858 31.994 3.210
559 HG2 GLU 71 HG2 GLU 71 18.210 32.684 5.671
560 HG3 GLU 71 HG3 GLU 71 19.908 32.825 5.218
561 H ALA 72 H ALA 72 16.680 28.851 3.526
562 HA ALA 72 HA ALA 72 18.511 27.493 1.655
563 HB1 ALA 72 HB1 ALA 72 16.390 26.388 3.445
564 HB2 ALA 72 HB2 ALA 72 16.783 25.564 1.936
565 HB3 ALA 72 HB3 ALA 72 18.031 25.810 3.157
566 H ALA 73 H ALA 73 17.828 27.170 -0.421
567 HA ALA 73 HA ALA 73 15.113 28.045 -1.124
568 HB1 ALA 73 HB1 ALA 73 17.553 28.844 -2.698
569 HB2 ALA 73 HB2 ALA 73 15.888 29.370 -2.949
570 HB3 ALA 73 HB3 ALA 73 16.767 29.882 -1.508
571 H ILE 74 H ILE 74 14.144 26.925 -2.763
572 HA ILE 74 HA ILE 74 14.843 24.323 -3.296
573 HB ILE 74 HB ILE 74 13.290 26.161 -5.122
574 HG12 ILE 74 HG12 ILE 74 11.476 24.560 -3.842
575 HG13 ILE 74 HG13 ILE 74 12.670 24.821 -2.576
576 HG21 ILE 74 HG21 ILE 74 12.278 23.611 -5.382
577 HG22 ILE 74 HG22 ILE 74 13.337 24.431 -6.528
578 HG23 ILE 74 HG23 ILE 74 14.021 23.355 -5.311
579 HD11 ILE 74 HD11 ILE 74 12.068 26.952 -2.288
580 HD12 ILE 74 HD12 ILE 74 11.889 27.242 -4.019
581 HD13 ILE 74 HD13 ILE 74 10.588 26.467 -3.114
582 H LYS 75 H LYS 75 16.308 23.339 -4.525
583 HA LYS 75 HA LYS 75 18.395 24.621 -5.796
584 HB2 LYS 75 HB2 LYS 75 18.887 22.470 -6.866
585 HB3 LYS 75 HB3 LYS 75 18.462 22.258 -5.172
586 HG2 LYS 75 HG2 LYS 75 16.190 21.603 -5.844
587 HG3 LYS 75 HG3 LYS 75 16.664 21.762 -7.537
588 HD2 LYS 75 HD2 LYS 75 18.012 19.918 -5.568
589 HD3 LYS 75 HD3 LYS 75 16.723 19.421 -6.667
590 HE2 LYS 75 HE2 LYS 75 18.143 20.185 -8.566
591 HE3 LYS 75 HE3 LYS 75 19.442 20.490 -7.414
592 HZ1 LYS 75 HZ1 LYS 75 18.227 17.890 -8.137
593 HZ2 LYS 75 HZ2 LYS 75 19.194 18.084 -6.764
594 HZ3 LYS 75 HZ3 LYS 75 19.841 18.369 -8.301
595 H SER 76 H SER 76 15.312 23.554 -7.136
596 HA SER 76 HA SER 76 16.036 24.362 -9.817
597 HB2 SER 76 HB2 SER 76 14.462 22.418 -9.149
598 HB3 SER 76 HB3 SER 76 13.246 23.675 -8.921
599 HG SER 76 HG SER 76 14.454 22.761 -11.264
Start of MODEL 15
1 H1 ALA 1 H ALA 1 5.323 5.622 8.136
2 HA ALA 1 HA ALA 1 7.895 4.462 7.774
3 HB1 ALA 1 HB1 ALA 1 5.842 4.161 9.956
4 HB2 ALA 1 HB2 ALA 1 7.445 3.425 10.009
5 HB3 ALA 1 HB3 ALA 1 7.282 5.180 9.961
6 H GLY 2 H GLY 2 6.752 3.406 5.692
7 HA2 GLY 2 HA2 GLY 2 6.837 0.596 6.172
8 HA3 GLY 2 HA3 GLY 2 5.193 1.133 5.863
9 H HIS 3 H HIS 3 5.057 2.654 3.867
10 HA HIS 3 HA HIS 3 6.017 1.134 1.635
11 HB2 HIS 3 HB2 HIS 3 4.573 3.792 1.643
12 HB3 HIS 3 HB3 HIS 3 4.755 2.707 0.268
13 HD1 HIS 3 HD1 HIS 3 3.480 0.353 0.500
14 HD2 HIS 3 HD2 HIS 3 2.391 3.306 3.212
15 HE1 HIS 3 HE1 HIS 3 1.277 -0.392 1.457
16 H MET 4 H MET 4 7.130 2.145 -0.224
17 HA MET 4 HA MET 4 9.345 3.797 0.738
18 HB2 MET 4 HB2 MET 4 8.979 1.970 -1.617
19 HB3 MET 4 HB3 MET 4 10.277 3.156 -1.599
20 HG2 MET 4 HG2 MET 4 11.289 1.235 -0.803
21 HG3 MET 4 HG3 MET 4 10.911 2.135 0.663
22 HE1 MET 4 HE1 MET 4 10.068 -0.959 -1.572
23 HE2 MET 4 HE2 MET 4 8.561 -1.532 -0.856
24 HE3 MET 4 HE3 MET 4 8.599 0.008 -1.716
25 H GLN 5 H GLN 5 6.958 5.168 0.425
26 HA GLN 5 HA GLN 5 7.151 6.564 -2.136
27 HB2 GLN 5 HB2 GLN 5 5.069 6.291 -0.033
28 HB3 GLN 5 HB3 GLN 5 5.098 7.796 -0.941
29 HG2 GLN 5 HG2 GLN 5 4.837 6.604 -3.016
30 HG3 GLN 5 HG3 GLN 5 4.947 5.058 -2.178
31 HE21 GLN 5 HE21 GLN 5 2.875 4.757 -3.337
32 HE22 GLN 5 HE22 GLN 5 1.428 5.284 -2.556
33 H GLU 6 H GLU 6 8.959 6.777 0.370
34 HA GLU 6 HA GLU 6 8.660 9.373 1.424
35 HB2 GLU 6 HB2 GLU 6 11.047 9.115 2.114
36 HB3 GLU 6 HB3 GLU 6 10.014 7.776 2.594
37 HG2 GLU 6 HG2 GLU 6 11.408 7.499 0.008
38 HG3 GLU 6 HG3 GLU 6 12.410 7.457 1.458
39 H ALA 7 H ALA 7 9.503 11.331 0.846
40 HA ALA 7 HA ALA 7 10.911 11.453 -1.742
41 HB1 ALA 7 HB1 ALA 7 9.743 13.754 -1.916
42 HB2 ALA 7 HB2 ALA 7 8.820 12.295 -2.281
43 HB3 ALA 7 HB3 ALA 7 8.626 13.093 -0.720
44 H VAL 8 H VAL 8 12.591 12.894 -1.936
45 HA VAL 8 HA VAL 8 13.360 14.337 0.518
46 HB VAL 8 HB VAL 8 15.300 13.174 -1.478
47 HG11 VAL 8 HG11 VAL 8 16.270 14.974 -0.269
48 HG12 VAL 8 HG12 VAL 8 15.600 14.396 1.257
49 HG13 VAL 8 HG13 VAL 8 16.880 13.486 0.453
50 HG21 VAL 8 HG21 VAL 8 14.625 11.193 -0.633
51 HG22 VAL 8 HG22 VAL 8 15.654 11.658 0.721
52 HG23 VAL 8 HG23 VAL 8 13.913 11.926 0.805
53 H VAL 9 H VAL 9 14.068 16.411 0.318
54 HA VAL 9 HA VAL 9 14.159 17.535 -2.407
55 HB VAL 9 HB VAL 9 13.130 18.947 0.057
56 HG11 VAL 9 HG11 VAL 9 12.312 20.591 -1.668
57 HG12 VAL 9 HG12 VAL 9 14.061 20.538 -1.438
58 HG13 VAL 9 HG13 VAL 9 13.330 19.751 -2.837
59 HG21 VAL 9 HG21 VAL 9 11.582 17.858 -2.292
60 HG22 VAL 9 HG22 VAL 9 11.629 17.139 -0.682
61 HG23 VAL 9 HG23 VAL 9 10.918 18.736 -0.914
62 H LYS 10 H LYS 10 15.882 18.755 -2.912
63 HA LYS 10 HA LYS 10 17.831 19.290 -0.772
64 HB2 LYS 10 HB2 LYS 10 19.539 19.300 -2.527
65 HB3 LYS 10 HB3 LYS 10 18.648 17.784 -2.519
66 HG2 LYS 10 HG2 LYS 10 18.595 18.145 -4.740
67 HG3 LYS 10 HG3 LYS 10 17.197 19.137 -4.319
68 HD2 LYS 10 HD2 LYS 10 18.372 20.629 -5.597
69 HD3 LYS 10 HD3 LYS 10 19.045 20.995 -4.006
70 HE2 LYS 10 HE2 LYS 10 20.771 19.127 -4.667
71 HE3 LYS 10 HE3 LYS 10 20.268 19.542 -6.305
72 HZ1 LYS 10 HZ1 LYS 10 21.657 21.246 -6.214
73 HZ2 LYS 10 HZ2 LYS 10 22.034 20.927 -4.596
74 HZ3 LYS 10 HZ3 LYS 10 20.728 21.933 -4.978
75 H LEU 11 H LEU 11 18.362 21.329 -0.296
76 HA LEU 11 HA LEU 11 17.573 23.451 -2.181
77 HB2 LEU 11 HB2 LEU 11 17.513 23.704 0.817
78 HB3 LEU 11 HB3 LEU 11 16.894 24.847 -0.374
79 HG LEU 11 HG LEU 11 15.690 22.135 -0.341
80 HD11 LEU 11 HD11 LEU 11 14.514 22.345 1.599
81 HD12 LEU 11 HD12 LEU 11 14.615 24.105 1.604
82 HD13 LEU 11 HD13 LEU 11 16.012 23.141 2.081
83 HD21 LEU 11 HD21 LEU 11 14.602 23.388 -1.883
84 HD22 LEU 11 HD22 LEU 11 14.965 24.910 -1.070
85 HD23 LEU 11 HD23 LEU 11 13.668 23.876 -0.469
86 H ARG 12 H ARG 12 18.872 25.337 -2.193
87 HA ARG 12 HA ARG 12 21.650 24.801 -1.608
88 HB2 ARG 12 HB2 ARG 12 20.561 26.049 -3.667
89 HB3 ARG 12 HB3 ARG 12 20.700 27.449 -2.612
90 HG2 ARG 12 HG2 ARG 12 23.028 27.336 -2.569
91 HG3 ARG 12 HG3 ARG 12 23.048 25.669 -3.147
92 HD2 ARG 12 HD2 ARG 12 21.848 26.764 -5.235
93 HD3 ARG 12 HD3 ARG 12 22.681 28.205 -4.654
94 HE ARG 12 HE ARG 12 24.562 26.175 -4.731
95 HH11 ARG 12 HH11 ARG 12 22.515 27.875 -6.975
96 HH12 ARG 12 HH12 ARG 12 23.604 27.692 -8.310
97 HH21 ARG 12 HH21 ARG 12 26.005 25.926 -6.481
98 HH22 ARG 12 HH22 ARG 12 25.588 26.582 -8.028
99 H VAL 13 H VAL 13 22.705 25.424 0.155
100 HA VAL 13 HA VAL 13 21.361 27.073 2.123
101 HB VAL 13 HB VAL 13 24.131 25.905 2.341
102 HG11 VAL 13 HG11 VAL 13 22.701 25.913 4.781
103 HG12 VAL 13 HG12 VAL 13 24.117 26.869 4.341
104 HG13 VAL 13 HG13 VAL 13 22.497 27.502 4.044
105 HG21 VAL 13 HG21 VAL 13 22.559 24.204 3.755
106 HG22 VAL 13 HG22 VAL 13 21.512 24.576 2.385
107 HG23 VAL 13 HG23 VAL 13 23.121 23.909 2.109
108 H GLU 14 H GLU 14 22.092 29.036 2.918
109 HA GLU 14 HA GLU 14 23.795 30.533 1.078
110 HB2 GLU 14 HB2 GLU 14 21.604 31.478 1.695
111 HB3 GLU 14 HB3 GLU 14 22.093 31.498 3.383
112 HG2 GLU 14 HG2 GLU 14 22.699 33.602 2.983
113 HG3 GLU 14 HG3 GLU 14 24.115 32.891 2.211
114 H GLY 15 H GLY 15 23.433 30.214 4.618
115 HA2 GLY 15 HA2 GLY 15 25.871 31.449 5.269
116 HA3 GLY 15 HA3 GLY 15 24.974 30.354 6.312
117 H MET 16 H MET 16 25.164 27.966 5.565
118 HA MET 16 HA MET 16 26.624 26.196 5.693
119 HB2 MET 16 HB2 MET 16 26.679 27.433 3.086
120 HB3 MET 16 HB3 MET 16 28.221 26.661 3.429
121 HG2 MET 16 HG2 MET 16 25.551 25.299 3.672
122 HG3 MET 16 HG3 MET 16 26.592 25.211 2.254
123 HE1 MET 16 HE1 MET 16 29.569 25.066 3.916
124 HE2 MET 16 HE2 MET 16 29.716 23.341 3.575
125 HE3 MET 16 HE3 MET 16 29.047 24.428 2.356
126 H THR 17 H THR 17 27.539 28.607 7.086
127 HA THR 17 HA THR 17 30.177 29.283 6.719
128 HB THR 17 HB THR 17 29.473 28.846 9.544
129 HG1 THR 17 HG1 THR 17 27.691 30.098 9.558
130 HG21 THR 17 HG21 THR 17 29.835 31.480 9.288
131 HG22 THR 17 HG22 THR 17 30.644 30.950 7.812
132 HG23 THR 17 HG23 THR 17 31.180 30.344 9.379
133 H CYS 18 H CYS 18 32.052 28.646 8.150
134 HA CYS 18 HA CYS 18 32.846 26.048 7.640
135 HB2 CYS 18 HB2 CYS 18 33.798 27.907 9.829
136 HB3 CYS 18 HB3 CYS 18 34.636 26.444 9.323
137 HG CYS 18 HG CYS 18 35.079 27.397 6.697
138 H GLN 19 H GLN 19 30.944 27.291 10.262
139 HA GLN 19 HA GLN 19 31.275 25.394 12.229
140 HB2 GLN 19 HB2 GLN 19 29.809 27.466 12.280
141 HB3 GLN 19 HB3 GLN 19 28.586 26.516 11.447
142 HG2 GLN 19 HG2 GLN 19 28.255 26.645 13.891
143 HG3 GLN 19 HG3 GLN 19 28.418 24.998 13.284
144 HE21 GLN 19 HE21 GLN 19 30.137 27.618 14.883
145 HE22 GLN 19 HE22 GLN 19 31.268 26.613 15.717
146 H SER 20 H SER 20 30.504 23.367 12.649
147 HA SER 20 HA SER 20 29.770 21.776 10.373
148 HB2 SER 20 HB2 SER 20 31.259 21.065 12.343
149 HB3 SER 20 HB3 SER 20 29.758 20.836 13.238
150 HG SER 20 HG SER 20 30.904 19.175 11.524
151 H CYS 21 H CYS 21 27.782 23.379 10.289
152 HA CYS 21 HA CYS 21 25.592 22.966 11.999
153 HB2 CYS 21 HB2 CYS 21 24.241 23.926 10.126
154 HB3 CYS 21 HB3 CYS 21 25.643 24.896 10.562
155 HG CYS 21 HG CYS 21 24.964 23.279 7.694
156 H VAL 22 H VAL 22 26.729 21.226 9.186
157 HA VAL 22 HA VAL 22 24.489 19.765 8.484
158 HB VAL 22 HB VAL 22 27.308 18.682 8.544
159 HG11 VAL 22 HG11 VAL 22 26.260 17.609 6.362
160 HG12 VAL 22 HG12 VAL 22 26.066 16.862 7.949
161 HG13 VAL 22 HG13 VAL 22 24.763 17.835 7.266
162 HG21 VAL 22 HG21 VAL 22 26.995 19.505 6.014
163 HG22 VAL 22 HG22 VAL 22 26.011 20.717 6.835
164 HG23 VAL 22 HG23 VAL 22 27.707 20.515 7.273
165 H SER 23 H SER 23 26.911 19.025 10.972
166 HA SER 23 HA SER 23 25.805 16.553 11.760
167 HB2 SER 23 HB2 SER 23 27.924 18.320 12.655
168 HB3 SER 23 HB3 SER 23 27.056 17.623 14.023
169 HG SER 23 HG SER 23 28.244 16.205 11.869
170 H SER 24 H SER 24 25.223 19.865 12.801
171 HA SER 24 HA SER 24 23.610 19.228 15.042
172 HB2 SER 24 HB2 SER 24 24.747 21.474 14.427
173 HB3 SER 24 HB3 SER 24 23.308 21.763 13.448
174 HG SER 24 HG SER 24 23.280 22.545 15.701
175 H ILE 25 H ILE 25 22.916 19.780 11.636
176 HA ILE 25 HA ILE 25 20.109 19.910 11.835
177 HB ILE 25 HB ILE 25 21.777 18.940 9.511
178 HG12 ILE 25 HG12 ILE 25 20.552 21.648 9.581
179 HG13 ILE 25 HG13 ILE 25 21.958 21.382 10.606
180 HG21 ILE 25 HG21 ILE 25 19.430 18.268 9.350
181 HG22 ILE 25 HG22 ILE 25 18.934 19.944 9.582
182 HG23 ILE 25 HG23 ILE 25 19.837 19.483 8.139
183 HD11 ILE 25 HD11 ILE 25 23.360 21.367 8.870
184 HD12 ILE 25 HD12 ILE 25 22.270 20.406 7.870
185 HD13 ILE 25 HD13 ILE 25 22.038 22.149 8.004
186 H GLU 26 H GLU 26 22.347 17.225 11.693
187 HA GLU 26 HA GLU 26 20.528 15.184 11.036
188 HB2 GLU 26 HB2 GLU 26 23.266 15.380 11.802
189 HB3 GLU 26 HB3 GLU 26 22.506 14.158 12.812
190 HG2 GLU 26 HG2 GLU 26 21.552 13.289 10.547
191 HG3 GLU 26 HG3 GLU 26 22.893 14.202 9.859
192 H GLY 27 H GLY 27 21.471 16.593 14.137
193 HA2 GLY 27 HA2 GLY 27 20.112 14.748 15.787
194 HA3 GLY 27 HA3 GLY 27 20.582 16.378 16.243
195 H LYS 28 H LYS 28 19.018 17.551 14.019
196 HA LYS 28 HA LYS 28 16.627 18.038 15.411
197 HB2 LYS 28 HB2 LYS 28 17.776 18.771 12.802
198 HB3 LYS 28 HB3 LYS 28 16.018 18.752 12.845
199 HG2 LYS 28 HG2 LYS 28 17.732 20.261 14.804
200 HG3 LYS 28 HG3 LYS 28 17.039 20.964 13.340
201 HD2 LYS 28 HD2 LYS 28 15.217 21.426 14.534
202 HD3 LYS 28 HD3 LYS 28 14.906 19.690 14.605
203 HE2 LYS 28 HE2 LYS 28 14.886 20.713 16.833
204 HE3 LYS 28 HE3 LYS 28 16.179 19.526 16.668
205 HZ1 LYS 28 HZ1 LYS 28 17.771 21.100 16.823
206 HZ2 LYS 28 HZ2 LYS 28 16.570 21.931 17.676
207 HZ3 LYS 28 HZ3 LYS 28 16.853 22.291 16.048
208 H VAL 29 H VAL 29 17.341 15.937 12.648
209 HA VAL 29 HA VAL 29 14.799 15.109 11.973
210 HB VAL 29 HB VAL 29 17.322 13.448 12.013
211 HG11 VAL 29 HG11 VAL 29 14.666 12.633 11.556
212 HG12 VAL 29 HG12 VAL 29 15.458 12.692 9.980
213 HG13 VAL 29 HG13 VAL 29 16.145 11.715 11.278
214 HG21 VAL 29 HG21 VAL 29 16.033 15.073 9.823
215 HG22 VAL 29 HG22 VAL 29 17.535 15.457 10.664
216 HG23 VAL 29 HG23 VAL 29 17.445 14.033 9.628
217 H ARG 30 H ARG 30 16.932 13.786 14.484
218 HA ARG 30 HA ARG 30 15.383 11.640 15.304
219 HB2 ARG 30 HB2 ARG 30 17.711 12.225 16.077
220 HB3 ARG 30 HB3 ARG 30 16.983 13.410 17.153
221 HG2 ARG 30 HG2 ARG 30 17.192 11.654 18.584
222 HG3 ARG 30 HG3 ARG 30 15.579 11.329 17.946
223 HD2 ARG 30 HD2 ARG 30 16.402 9.672 16.464
224 HD3 ARG 30 HD3 ARG 30 18.075 10.150 16.751
225 HE ARG 30 HE ARG 30 17.134 9.390 19.204
226 HH11 ARG 30 HH11 ARG 30 17.381 7.892 16.071
227 HH12 ARG 30 HH12 ARG 30 17.558 6.290 16.707
228 HH21 ARG 30 HH21 ARG 30 17.366 7.285 20.053
229 HH22 ARG 30 HH22 ARG 30 17.549 5.946 18.972
230 H LYS 31 H LYS 31 14.920 15.037 15.833
231 HA LYS 31 HA LYS 31 12.850 14.564 17.840
232 HB2 LYS 31 HB2 LYS 31 13.819 17.198 16.720
233 HB3 LYS 31 HB3 LYS 31 12.825 16.960 18.151
234 HG2 LYS 31 HG2 LYS 31 15.647 15.956 17.860
235 HG3 LYS 31 HG3 LYS 31 15.198 17.473 18.643
236 HD2 LYS 31 HD2 LYS 31 13.735 16.127 20.181
237 HD3 LYS 31 HD3 LYS 31 14.459 14.675 19.487
238 HE2 LYS 31 HE2 LYS 31 16.594 15.218 20.321
239 HE3 LYS 31 HE3 LYS 31 16.120 16.879 20.675
240 HZ1 LYS 31 HZ1 LYS 31 16.012 15.961 22.742
241 HZ2 LYS 31 HZ2 LYS 31 15.568 14.428 22.181
242 HZ3 LYS 31 HZ3 LYS 31 14.423 15.672 22.236
243 H LEU 32 H LEU 32 13.193 15.077 14.482
244 HA LEU 32 HA LEU 32 10.601 16.236 14.042
245 HB2 LEU 32 HB2 LEU 32 12.869 15.332 12.382
246 HB3 LEU 32 HB3 LEU 32 11.279 15.275 11.624
247 HG LEU 32 HG LEU 32 12.456 17.340 11.080
248 HD11 LEU 32 HD11 LEU 32 10.640 18.724 11.310
249 HD12 LEU 32 HD12 LEU 32 10.301 18.190 12.956
250 HD13 LEU 32 HD13 LEU 32 9.898 17.149 11.591
251 HD21 LEU 32 HD21 LEU 32 12.648 19.016 13.032
252 HD22 LEU 32 HD22 LEU 32 13.893 17.778 12.852
253 HD23 LEU 32 HD23 LEU 32 12.622 17.584 14.061
254 H GLN 33 H GLN 33 8.723 15.242 13.515
255 HA GLN 33 HA GLN 33 8.571 12.385 13.971
256 HB2 GLN 33 HB2 GLN 33 6.144 12.714 13.881
257 HB3 GLN 33 HB3 GLN 33 6.901 13.846 14.994
258 HG2 GLN 33 HG2 GLN 33 6.795 15.584 13.253
259 HG3 GLN 33 HG3 GLN 33 5.960 14.445 12.199
260 HE21 GLN 33 HE21 GLN 33 4.268 16.046 12.164
261 HE22 GLN 33 HE22 GLN 33 3.117 16.102 13.451
262 H GLY 34 H GLY 34 8.054 14.667 11.326
263 HA2 GLY 34 HA2 GLY 34 7.237 12.559 9.508
264 HA3 GLY 34 HA3 GLY 34 7.416 14.264 9.119
265 H VAL 35 H VAL 35 9.836 14.998 9.350
266 HA VAL 35 HA VAL 35 11.297 14.042 7.281
267 HB VAL 35 HB VAL 35 11.766 15.895 9.262
268 HG11 VAL 35 HG11 VAL 35 14.030 13.907 9.355
269 HG12 VAL 35 HG12 VAL 35 13.913 15.433 10.233
270 HG13 VAL 35 HG13 VAL 35 12.822 14.104 10.625
271 HG21 VAL 35 HG21 VAL 35 12.451 15.619 6.724
272 HG22 VAL 35 HG22 VAL 35 13.281 16.758 7.784
273 HG23 VAL 35 HG23 VAL 35 14.005 15.187 7.438
274 H VAL 36 H VAL 36 12.738 12.432 6.865
275 HA VAL 36 HA VAL 36 12.795 10.223 8.769
276 HB VAL 36 HB VAL 36 14.022 10.162 6.027
277 HG11 VAL 36 HG11 VAL 36 14.229 8.330 7.868
278 HG12 VAL 36 HG12 VAL 36 12.581 7.923 7.383
279 HG13 VAL 36 HG13 VAL 36 13.890 7.865 6.201
280 HG21 VAL 36 HG21 VAL 36 11.737 9.168 5.360
281 HG22 VAL 36 HG22 VAL 36 11.121 10.033 6.768
282 HG23 VAL 36 HG23 VAL 36 11.897 10.921 5.457
283 H ARG 37 H ARG 37 15.093 12.138 6.839
284 HA ARG 37 HA ARG 37 17.013 12.210 8.932
285 HB2 ARG 37 HB2 ARG 37 17.141 9.992 7.058
286 HB3 ARG 37 HB3 ARG 37 18.607 10.962 7.020
287 HG2 ARG 37 HG2 ARG 37 18.295 10.724 9.674
288 HG3 ARG 37 HG3 ARG 37 17.540 9.220 9.141
289 HD2 ARG 37 HD2 ARG 37 20.301 10.160 8.374
290 HD3 ARG 37 HD3 ARG 37 19.941 8.952 9.606
291 HE ARG 37 HE ARG 37 18.848 8.330 7.022
292 HH11 ARG 37 HH11 ARG 37 21.647 8.101 9.079
293 HH12 ARG 37 HH12 ARG 37 22.297 6.719 8.260
294 HH21 ARG 37 HH21 ARG 37 19.693 6.511 5.936
295 HH22 ARG 37 HH22 ARG 37 21.185 5.816 6.472
296 H VAL 38 H VAL 38 19.149 13.140 8.093
297 HA VAL 38 HA VAL 38 18.560 15.022 5.900
298 HB VAL 38 HB VAL 38 18.770 16.046 8.182
299 HG11 VAL 38 HG11 VAL 38 20.584 14.467 8.918
300 HG12 VAL 38 HG12 VAL 38 21.699 15.401 7.918
301 HG13 VAL 38 HG13 VAL 38 20.875 16.169 9.275
302 HG21 VAL 38 HG21 VAL 38 20.050 16.818 5.721
303 HG22 VAL 38 HG22 VAL 38 19.203 17.815 6.903
304 HG23 VAL 38 HG23 VAL 38 20.920 17.471 7.109
305 H LYS 39 H LYS 39 19.902 15.063 4.208
306 HA LYS 39 HA LYS 39 22.393 13.502 4.395
307 HB2 LYS 39 HB2 LYS 39 20.622 12.681 2.808
308 HB3 LYS 39 HB3 LYS 39 20.838 14.166 1.892
309 HG2 LYS 39 HG2 LYS 39 22.450 13.177 0.749
310 HG3 LYS 39 HG3 LYS 39 23.403 13.079 2.231
311 HD2 LYS 39 HD2 LYS 39 21.978 10.960 2.703
312 HD3 LYS 39 HD3 LYS 39 21.637 11.013 0.972
313 HE2 LYS 39 HE2 LYS 39 24.358 10.864 2.267
314 HE3 LYS 39 HE3 LYS 39 23.530 9.561 1.415
315 HZ1 LYS 39 HZ1 LYS 39 23.518 11.267 -0.521
316 HZ2 LYS 39 HZ2 LYS 39 24.917 10.374 -0.200
317 HZ3 LYS 39 HZ3 LYS 39 24.799 11.977 0.325
318 H VAL 40 H VAL 40 21.761 16.451 4.920
319 HA VAL 40 HA VAL 40 22.712 18.199 3.076
320 HB VAL 40 HB VAL 40 23.214 18.137 6.044
321 HG11 VAL 40 HG11 VAL 40 23.868 20.542 5.792
322 HG12 VAL 40 HG12 VAL 40 25.045 19.388 5.164
323 HG13 VAL 40 HG13 VAL 40 23.988 20.263 4.055
324 HG21 VAL 40 HG21 VAL 40 21.607 20.253 4.780
325 HG22 VAL 40 HG22 VAL 40 20.935 18.626 4.673
326 HG23 VAL 40 HG23 VAL 40 21.309 19.324 6.249
327 H SER 41 H SER 41 24.546 18.532 1.999
328 HA SER 41 HA SER 41 26.950 17.075 2.876
329 HB2 SER 41 HB2 SER 41 25.956 16.428 0.654
330 HB3 SER 41 HB3 SER 41 26.340 18.050 0.079
331 HG SER 41 HG SER 41 28.207 17.205 -0.380
332 H LEU 42 H LEU 42 28.267 18.412 3.932
333 HA LEU 42 HA LEU 42 28.311 21.223 3.575
334 HB2 LEU 42 HB2 LEU 42 29.019 19.793 5.606
335 HB3 LEU 42 HB3 LEU 42 30.567 19.659 4.775
336 HG LEU 42 HG LEU 42 29.407 22.363 5.294
337 HD11 LEU 42 HD11 LEU 42 29.746 22.340 7.499
338 HD12 LEU 42 HD12 LEU 42 31.248 21.430 7.349
339 HD13 LEU 42 HD13 LEU 42 29.702 20.582 7.362
340 HD21 LEU 42 HD21 LEU 42 31.453 23.091 4.750
341 HD22 LEU 42 HD22 LEU 42 31.669 21.489 4.043
342 HD23 LEU 42 HD23 LEU 42 32.258 21.822 5.673
343 H SER 43 H SER 43 30.095 18.586 2.158
344 HA SER 43 HA SER 43 32.221 20.146 1.087
345 HB2 SER 43 HB2 SER 43 32.986 18.184 0.145
346 HB3 SER 43 HB3 SER 43 31.965 17.530 1.426
347 HG SER 43 HG SER 43 31.771 17.078 -1.151
348 H ASN 44 H ASN 44 28.995 19.371 0.040
349 HA ASN 44 HA ASN 44 29.496 20.526 -2.605
350 HB2 ASN 44 HB2 ASN 44 28.129 18.317 -2.046
351 HB3 ASN 44 HB3 ASN 44 26.817 19.470 -1.823
352 HD21 ASN 44 HD21 ASN 44 26.074 20.655 -3.583
353 HD22 ASN 44 HD22 ASN 44 26.432 20.199 -5.210
354 H GLN 45 H GLN 45 28.771 21.650 0.348
355 HA GLN 45 HA GLN 45 27.724 23.488 1.196
356 HB2 GLN 45 HB2 GLN 45 28.026 24.494 -1.638
357 HB3 GLN 45 HB3 GLN 45 27.767 25.485 -0.208
358 HG2 GLN 45 HG2 GLN 45 29.912 25.036 0.626
359 HG3 GLN 45 HG3 GLN 45 30.148 23.684 -0.481
360 HE21 GLN 45 HE21 GLN 45 31.301 26.565 0.117
361 HE22 GLN 45 HE22 GLN 45 31.633 27.147 -1.475
362 H GLU 46 H GLU 46 25.981 21.432 0.399
363 HA GLU 46 HA GLU 46 23.603 23.018 -0.287
364 HB2 GLU 46 HB2 GLU 46 22.836 21.513 -1.861
365 HB3 GLU 46 HB3 GLU 46 24.569 21.459 -2.154
366 HG2 GLU 46 HG2 GLU 46 24.398 19.496 -0.363
367 HG3 GLU 46 HG3 GLU 46 22.767 19.407 -1.026
368 H ALA 47 H ALA 47 21.579 22.066 0.463
369 HA ALA 47 HA ALA 47 21.966 20.332 2.816
370 HB1 ALA 47 HB1 ALA 47 20.301 22.797 2.480
371 HB2 ALA 47 HB2 ALA 47 19.870 21.576 3.677
372 HB3 ALA 47 HB3 ALA 47 21.436 22.381 3.765
373 H VAL 48 H VAL 48 20.913 18.465 2.736
374 HA VAL 48 HA VAL 48 18.647 18.209 0.871
375 HB VAL 48 HB VAL 48 20.548 16.093 1.886
376 HG11 VAL 48 HG11 VAL 48 18.641 14.851 1.663
377 HG12 VAL 48 HG12 VAL 48 17.954 15.921 0.439
378 HG13 VAL 48 HG13 VAL 48 19.238 14.791 0.005
379 HG21 VAL 48 HG21 VAL 48 21.181 17.804 0.019
380 HG22 VAL 48 HG22 VAL 48 21.541 16.091 -0.195
381 HG23 VAL 48 HG23 VAL 48 20.134 16.802 -0.985
382 H ILE 49 H ILE 49 16.696 17.818 1.682
383 HA ILE 49 HA ILE 49 16.507 16.866 4.466
384 HB ILE 49 HB ILE 49 14.451 18.555 3.046
385 HG12 ILE 49 HG12 ILE 49 15.521 20.167 4.975
386 HG13 ILE 49 HG13 ILE 49 16.948 19.299 4.420
387 HG21 ILE 49 HG21 ILE 49 13.900 18.987 5.559
388 HG22 ILE 49 HG22 ILE 49 13.340 17.513 4.772
389 HG23 ILE 49 HG23 ILE 49 14.766 17.472 5.808
390 HD11 ILE 49 HD11 ILE 49 16.989 20.376 2.461
391 HD12 ILE 49 HD12 ILE 49 15.234 20.339 2.284
392 HD13 ILE 49 HD13 ILE 49 15.992 21.563 3.303
393 H THR 50 H THR 50 15.822 14.840 4.563
394 HA THR 50 HA THR 50 14.103 13.792 2.434
395 HB THR 50 HB THR 50 15.597 12.318 4.613
396 HG1 THR 50 HG1 THR 50 17.202 12.500 3.256
397 HG21 THR 50 HG21 THR 50 13.432 11.495 2.957
398 HG22 THR 50 HG22 THR 50 14.370 10.532 4.099
399 HG23 THR 50 HG23 THR 50 14.888 10.660 2.418
400 H TYR 51 H TYR 51 11.993 13.607 2.755
401 HA TYR 51 HA TYR 51 10.996 13.090 5.465
402 HB2 TYR 51 HB2 TYR 51 9.486 14.841 5.469
403 HB3 TYR 51 HB3 TYR 51 10.853 15.577 4.640
404 HD1 TYR 51 HD1 TYR 51 10.791 15.156 1.976
405 HD2 TYR 51 HD2 TYR 51 7.406 15.206 4.554
406 HE1 TYR 51 HE1 TYR 51 9.346 15.691 0.059
407 HE2 TYR 51 HE2 TYR 51 5.952 15.740 2.644
408 HH TYR 51 HH TYR 51 6.873 15.389 -0.523
409 H GLN 52 H GLN 52 8.557 12.567 5.345
410 HA GLN 52 HA GLN 52 8.046 10.928 2.951
411 HB2 GLN 52 HB2 GLN 52 7.744 10.262 5.856
412 HB3 GLN 52 HB3 GLN 52 6.700 9.489 4.671
413 HG2 GLN 52 HG2 GLN 52 8.447 8.356 3.673
414 HG3 GLN 52 HG3 GLN 52 9.660 9.476 4.290
415 HE21 GLN 52 HE21 GLN 52 8.385 6.461 4.624
416 HE22 GLN 52 HE22 GLN 52 8.898 6.108 6.235
417 HA PRO 53 HA PRO 53 4.315 13.262 2.616
418 HB2 PRO 53 HB2 PRO 53 3.008 11.631 0.883
419 HB3 PRO 53 HB3 PRO 53 4.342 12.682 0.393
420 HG2 PRO 53 HG2 PRO 53 4.369 9.755 1.022
421 HG3 PRO 53 HG3 PRO 53 5.172 10.623 -0.300
422 HD2 PRO 53 HD2 PRO 53 6.480 9.848 1.941
423 HD3 PRO 53 HD3 PRO 53 6.910 11.319 1.046
424 H TYR 54 H TYR 54 4.478 10.015 3.776
425 HA TYR 54 HA TYR 54 1.675 9.812 4.426
426 HB2 TYR 54 HB2 TYR 54 2.667 7.735 3.967
427 HB3 TYR 54 HB3 TYR 54 4.087 8.093 4.943
428 HD1 TYR 54 HD2 TYR 54 4.001 7.901 7.385
429 HD2 TYR 54 HD1 TYR 54 0.649 6.880 4.971
430 HE1 TYR 54 HE2 TYR 54 2.997 6.714 9.291
431 HE2 TYR 54 HE1 TYR 54 -0.365 5.692 6.871
432 HH TYR 54 HH TYR 54 1.074 4.588 9.328
433 H LEU 55 H LEU 55 4.400 11.251 5.827
434 HA LEU 55 HA LEU 55 3.105 11.305 8.472
435 HB2 LEU 55 HB2 LEU 55 5.984 11.957 7.911
436 HB3 LEU 55 HB3 LEU 55 5.226 11.634 9.469
437 HG LEU 55 HG LEU 55 5.336 9.490 7.384
438 HD11 LEU 55 HD11 LEU 55 7.520 9.761 9.398
439 HD12 LEU 55 HD12 LEU 55 7.630 10.630 7.867
440 HD13 LEU 55 HD13 LEU 55 7.496 8.871 7.875
441 HD21 LEU 55 HD21 LEU 55 5.293 9.525 10.399
442 HD22 LEU 55 HD22 LEU 55 5.420 8.069 9.410
443 HD23 LEU 55 HD23 LEU 55 3.970 9.072 9.323
444 H ILE 56 H ILE 56 5.466 13.376 6.788
445 HA ILE 56 HA ILE 56 3.732 15.680 7.404
446 HB ILE 56 HB ILE 56 5.876 15.597 8.712
447 HG12 ILE 56 HG12 ILE 56 5.501 17.908 6.795
448 HG13 ILE 56 HG13 ILE 56 4.692 17.703 8.344
449 HG21 ILE 56 HG21 ILE 56 7.377 16.488 6.320
450 HG22 ILE 56 HG22 ILE 56 7.931 15.614 7.747
451 HG23 ILE 56 HG23 ILE 56 7.056 14.761 6.476
452 HD11 ILE 56 HD11 ILE 56 7.471 18.534 7.746
453 HD12 ILE 56 HD12 ILE 56 6.336 19.144 8.951
454 HD13 ILE 56 HD13 ILE 56 7.178 17.618 9.224
455 H GLN 57 H GLN 57 3.825 17.465 5.912
456 HA GLN 57 HA GLN 57 4.093 16.551 3.169
457 HB2 GLN 57 HB2 GLN 57 2.610 18.649 4.570
458 HB3 GLN 57 HB3 GLN 57 3.300 19.186 3.044
459 HG2 GLN 57 HG2 GLN 57 2.228 17.184 1.975
460 HG3 GLN 57 HG3 GLN 57 1.383 16.919 3.499
461 HE21 GLN 57 HE21 GLN 57 -0.059 18.571 4.244
462 HE22 GLN 57 HE22 GLN 57 -0.836 19.617 3.110
463 HA PRO 58 HA PRO 58 7.784 18.656 2.080
464 HB2 PRO 58 HB2 PRO 58 7.169 19.907 -0.250
465 HB3 PRO 58 HB3 PRO 58 7.355 18.154 -0.121
466 HG2 PRO 58 HG2 PRO 58 4.853 19.797 -0.144
467 HG3 PRO 58 HG3 PRO 58 5.197 18.271 -0.979
468 HD2 PRO 58 HD2 PRO 58 3.766 18.385 1.317
469 HD3 PRO 58 HD3 PRO 58 4.805 17.005 0.907
470 H GLU 59 H GLU 59 4.978 20.801 1.579
471 HA GLU 59 HA GLU 59 6.389 23.220 1.788
472 HB2 GLU 59 HB2 GLU 59 4.034 22.871 0.909
473 HB3 GLU 59 HB3 GLU 59 3.509 22.812 2.586
474 HG2 GLU 59 HG2 GLU 59 4.581 25.085 2.862
475 HG3 GLU 59 HG3 GLU 59 4.723 25.123 1.105
476 H ASP 60 H ASP 60 4.920 21.142 4.210
477 HA ASP 60 HA ASP 60 5.141 22.954 6.381
478 HB2 ASP 60 HB2 ASP 60 4.267 20.241 5.966
479 HB3 ASP 60 HB3 ASP 60 5.291 20.327 7.396
480 H LEU 61 H LEU 61 7.243 20.402 5.128
481 HA LEU 61 HA LEU 61 9.167 20.528 7.195
482 HB2 LEU 61 HB2 LEU 61 10.269 18.941 6.035
483 HB3 LEU 61 HB3 LEU 61 8.735 18.835 5.174
484 HG LEU 61 HG LEU 61 9.889 20.611 3.599
485 HD11 LEU 61 HD11 LEU 61 12.016 21.022 4.068
486 HD12 LEU 61 HD12 LEU 61 12.380 19.340 3.685
487 HD13 LEU 61 HD13 LEU 61 12.021 19.808 5.347
488 HD21 LEU 61 HD21 LEU 61 10.994 17.917 3.160
489 HD22 LEU 61 HD22 LEU 61 10.013 18.931 2.102
490 HD23 LEU 61 HD23 LEU 61 9.248 18.001 3.392
491 H ARG 62 H ARG 62 8.486 22.586 4.548
492 HA ARG 62 HA ARG 62 10.994 23.661 3.971
493 HB2 ARG 62 HB2 ARG 62 8.920 24.105 2.679
494 HB3 ARG 62 HB3 ARG 62 8.348 25.121 3.995
495 HG2 ARG 62 HG2 ARG 62 9.299 26.410 2.131
496 HG3 ARG 62 HG3 ARG 62 10.160 26.670 3.649
497 HD2 ARG 62 HD2 ARG 62 11.225 24.474 2.037
498 HD3 ARG 62 HD3 ARG 62 11.320 26.048 1.250
499 HE ARG 62 HE ARG 62 12.914 25.137 3.410
500 HH11 ARG 62 HH11 ARG 62 11.342 27.977 2.150
501 HH12 ARG 62 HH12 ARG 62 12.456 29.080 2.888
502 HH21 ARG 62 HH21 ARG 62 14.386 26.579 4.387
503 HH22 ARG 62 HH22 ARG 62 14.188 28.283 4.159
504 H ASP 63 H ASP 63 8.654 24.531 6.479
505 HA ASP 63 HA ASP 63 10.068 26.774 7.462
506 HB2 ASP 63 HB2 ASP 63 8.084 24.972 8.867
507 HB3 ASP 63 HB3 ASP 63 8.627 26.540 9.458
508 H HIS 64 H HIS 64 10.134 23.345 8.270
509 HA HIS 64 HA HIS 64 11.616 23.407 10.608
510 HB2 HIS 64 HB2 HIS 64 10.683 21.332 9.876
511 HB3 HIS 64 HB3 HIS 64 11.581 21.390 8.362
512 HD1 HIS 64 HD1 HIS 64 13.207 22.048 11.687
513 HD2 HIS 64 HD2 HIS 64 12.988 19.048 8.820
514 HE1 HIS 64 HE1 HIS 64 14.964 20.369 12.334
515 H VAL 65 H VAL 65 12.709 23.599 7.261
516 HA VAL 65 HA VAL 65 15.452 23.324 7.652
517 HB VAL 65 HB VAL 65 14.087 25.107 5.630
518 HG11 VAL 65 HG11 VAL 65 16.326 24.142 4.435
519 HG12 VAL 65 HG12 VAL 65 16.215 25.713 5.232
520 HG13 VAL 65 HG13 VAL 65 16.878 24.327 6.099
521 HG21 VAL 65 HG21 VAL 65 14.515 22.168 5.777
522 HG22 VAL 65 HG22 VAL 65 13.157 23.081 5.119
523 HG23 VAL 65 HG23 VAL 65 14.661 22.956 4.206
524 H ASN 66 H ASN 66 13.395 26.190 7.900
525 HA ASN 66 HA ASN 66 15.454 28.075 8.259
526 HB2 ASN 66 HB2 ASN 66 13.380 29.012 7.739
527 HB3 ASN 66 HB3 ASN 66 12.528 28.026 8.923
528 HD21 ASN 66 HD21 ASN 66 12.188 28.816 10.906
529 HD22 ASN 66 HD22 ASN 66 12.788 30.330 11.481
530 H ASP 67 H ASP 67 13.945 25.814 10.421
531 HA ASP 67 HA ASP 67 14.645 27.012 12.875
532 HB2 ASP 67 HB2 ASP 67 13.074 24.983 12.336
533 HB3 ASP 67 HB3 ASP 67 14.542 24.034 12.555
534 H MET 68 H MET 68 16.494 25.309 10.522
535 HA MET 68 HA MET 68 18.587 24.385 12.191
536 HB2 MET 68 HB2 MET 68 18.496 25.015 9.240
537 HB3 MET 68 HB3 MET 68 19.896 24.308 10.035
538 HG2 MET 68 HG2 MET 68 18.852 22.294 10.391
539 HG3 MET 68 HG3 MET 68 17.238 22.999 10.327
540 HE1 MET 68 HE1 MET 68 20.043 22.375 6.807
541 HE2 MET 68 HE2 MET 68 19.538 24.050 7.033
542 HE3 MET 68 HE3 MET 68 20.364 23.194 8.336
543 H GLY 69 H GLY 69 17.684 27.497 11.225
544 HA2 GLY 69 HA2 GLY 69 18.663 29.469 12.057
545 HA3 GLY 69 HA3 GLY 69 20.149 28.579 12.354
546 H PHE 70 H PHE 70 19.460 27.585 9.400
547 HA PHE 70 HA PHE 70 20.907 29.813 8.131
548 HB2 PHE 70 HB2 PHE 70 20.892 26.877 7.400
549 HB3 PHE 70 HB3 PHE 70 21.755 28.135 6.521
550 HD1 PHE 70 HD1 PHE 70 21.574 26.305 9.717
551 HD2 PHE 70 HD2 PHE 70 23.849 28.936 7.264
552 HE1 PHE 70 HE1 PHE 70 23.517 25.995 11.194
553 HE2 PHE 70 HE2 PHE 70 25.796 28.630 8.737
554 HZ PHE 70 HZ PHE 70 25.631 27.159 10.705
555 H GLU 71 H GLU 71 20.455 30.169 5.829
556 HA GLU 71 HA GLU 71 17.589 29.892 5.310
557 HB2 GLU 71 HB2 GLU 71 19.539 31.563 3.735
558 HB3 GLU 71 HB3 GLU 71 17.790 31.721 3.812
559 HG2 GLU 71 HG2 GLU 71 18.051 32.321 6.233
560 HG3 GLU 71 HG3 GLU 71 19.789 32.389 5.952
561 H ALA 72 H ALA 72 16.829 28.516 3.848
562 HA ALA 72 HA ALA 72 18.702 27.421 1.850
563 HB1 ALA 72 HB1 ALA 72 17.981 25.832 3.666
564 HB2 ALA 72 HB2 ALA 72 16.350 25.938 3.001
565 HB3 ALA 72 HB3 ALA 72 17.664 25.297 2.015
566 H ALA 73 H ALA 73 18.024 27.260 -0.246
567 HA ALA 73 HA ALA 73 15.271 28.079 -0.865
568 HB1 ALA 73 HB1 ALA 73 17.171 29.896 -1.091
569 HB2 ALA 73 HB2 ALA 73 17.450 29.073 -2.626
570 HB3 ALA 73 HB3 ALA 73 15.869 29.773 -2.275
571 H ILE 74 H ILE 74 14.347 27.077 -2.604
572 HA ILE 74 HA ILE 74 15.192 24.570 -3.381
573 HB ILE 74 HB ILE 74 13.464 26.462 -4.980
574 HG12 ILE 74 HG12 ILE 74 12.536 24.248 -3.160
575 HG13 ILE 74 HG13 ILE 74 12.806 25.881 -2.563
576 HG21 ILE 74 HG21 ILE 74 13.695 24.869 -6.545
577 HG22 ILE 74 HG22 ILE 74 14.307 23.684 -5.392
578 HG23 ILE 74 HG23 ILE 74 12.571 23.960 -5.535
579 HD11 ILE 74 HD11 ILE 74 10.624 24.801 -4.185
580 HD12 ILE 74 HD12 ILE 74 10.648 26.164 -3.065
581 HD13 ILE 74 HD13 ILE 74 11.237 26.367 -4.715
582 H LYS 75 H LYS 75 16.557 23.765 -4.860
583 HA LYS 75 HA LYS 75 18.586 25.268 -5.993
584 HB2 LYS 75 HB2 LYS 75 18.635 22.807 -5.684
585 HB3 LYS 75 HB3 LYS 75 17.506 22.637 -7.022
586 HG2 LYS 75 HG2 LYS 75 19.995 24.146 -7.550
587 HG3 LYS 75 HG3 LYS 75 20.139 22.403 -7.315
588 HD2 LYS 75 HD2 LYS 75 18.981 21.913 -9.219
589 HD3 LYS 75 HD3 LYS 75 17.995 23.374 -9.125
590 HE2 LYS 75 HE2 LYS 75 20.932 23.433 -9.772
591 HE3 LYS 75 HE3 LYS 75 19.689 23.263 -11.011
592 HZ1 LYS 75 HZ1 LYS 75 19.368 25.454 -9.116
593 HZ2 LYS 75 HZ2 LYS 75 19.028 25.396 -10.772
594 HZ3 LYS 75 HZ3 LYS 75 20.621 25.605 -10.243
595 H SER 76 H SER 76 15.711 23.945 -7.635
596 HA SER 76 HA SER 76 16.272 25.371 -10.061
597 HB2 SER 76 HB2 SER 76 15.122 23.276 -10.263
598 HB3 SER 76 HB3 SER 76 13.871 23.786 -9.130
599 HG SER 76 HG SER 76 13.388 23.908 -11.475
Start of MODEL 16
1 H1 ALA 1 H ALA 1 8.908 -0.142 6.474
2 HA ALA 1 HA ALA 1 8.181 -1.152 3.817
3 HB1 ALA 1 HB1 ALA 1 5.923 -1.191 4.191
4 HB2 ALA 1 HB2 ALA 1 6.513 -1.704 5.772
5 HB3 ALA 1 HB3 ALA 1 6.010 -0.033 5.519
6 H GLY 2 H GLY 2 7.144 0.482 2.451
7 HA2 GLY 2 HA2 GLY 2 6.837 3.167 3.068
8 HA3 GLY 2 HA3 GLY 2 8.518 2.967 2.599
9 H HIS 3 H HIS 3 7.848 0.804 0.703
10 HA HIS 3 HA HIS 3 7.448 0.587 -1.527
11 HB2 HIS 3 HB2 HIS 3 5.131 2.228 -0.584
12 HB3 HIS 3 HB3 HIS 3 5.343 1.962 -2.312
13 HD1 HIS 3 HD1 HIS 3 5.683 -0.761 -2.882
14 HD2 HIS 3 HD2 HIS 3 3.636 0.306 0.572
15 HE1 HIS 3 HE1 HIS 3 4.344 -2.790 -2.242
16 H MET 4 H MET 4 9.190 2.775 -0.518
17 HA MET 4 HA MET 4 10.390 4.534 -1.319
18 HB2 MET 4 HB2 MET 4 9.341 3.654 -4.013
19 HB3 MET 4 HB3 MET 4 10.789 4.604 -3.705
20 HG2 MET 4 HG2 MET 4 10.335 1.736 -2.917
21 HG3 MET 4 HG3 MET 4 11.362 2.316 -4.226
22 HE1 MET 4 HE1 MET 4 11.679 0.413 -1.820
23 HE2 MET 4 HE2 MET 4 13.212 0.737 -1.011
24 HE3 MET 4 HE3 MET 4 11.699 1.280 -0.285
25 H GLN 5 H GLN 5 7.578 4.948 -0.581
26 HA GLN 5 HA GLN 5 6.532 6.907 -2.415
27 HB2 GLN 5 HB2 GLN 5 5.681 5.950 0.311
28 HB3 GLN 5 HB3 GLN 5 4.873 7.282 -0.504
29 HG2 GLN 5 HG2 GLN 5 4.187 5.870 -2.295
30 HG3 GLN 5 HG3 GLN 5 5.183 4.542 -1.700
31 HE21 GLN 5 HE21 GLN 5 2.413 4.402 -2.240
32 HE22 GLN 5 HE22 GLN 5 1.599 4.071 -0.753
33 H GLU 6 H GLU 6 8.751 6.907 0.166
34 HA GLU 6 HA GLU 6 8.331 9.538 1.146
35 HB2 GLU 6 HB2 GLU 6 10.431 9.283 2.276
36 HB3 GLU 6 HB3 GLU 6 9.584 7.745 2.353
37 HG2 GLU 6 HG2 GLU 6 10.955 6.901 0.513
38 HG3 GLU 6 HG3 GLU 6 11.810 8.440 0.450
39 H ALA 7 H ALA 7 9.239 11.467 0.579
40 HA ALA 7 HA ALA 7 10.840 11.484 -1.897
41 HB1 ALA 7 HB1 ALA 7 8.507 13.103 -1.057
42 HB2 ALA 7 HB2 ALA 7 9.781 13.929 -1.955
43 HB3 ALA 7 HB3 ALA 7 8.974 12.527 -2.657
44 H VAL 8 H VAL 8 12.513 13.003 -2.075
45 HA VAL 8 HA VAL 8 13.318 14.272 0.461
46 HB VAL 8 HB VAL 8 15.236 13.205 -1.608
47 HG11 VAL 8 HG11 VAL 8 15.550 14.259 1.193
48 HG12 VAL 8 HG12 VAL 8 16.814 13.360 0.353
49 HG13 VAL 8 HG13 VAL 8 16.247 14.900 -0.294
50 HG21 VAL 8 HG21 VAL 8 13.795 11.823 0.542
51 HG22 VAL 8 HG22 VAL 8 14.588 11.174 -0.893
52 HG23 VAL 8 HG23 VAL 8 15.540 11.567 0.538
53 H VAL 9 H VAL 9 14.188 16.318 0.370
54 HA VAL 9 HA VAL 9 14.182 17.621 -2.275
55 HB VAL 9 HB VAL 9 13.429 18.975 0.313
56 HG11 VAL 9 HG11 VAL 9 12.413 20.148 -2.112
57 HG12 VAL 9 HG12 VAL 9 13.420 20.868 -0.855
58 HG13 VAL 9 HG13 VAL 9 14.167 19.984 -2.186
59 HG21 VAL 9 HG21 VAL 9 11.110 18.847 -0.428
60 HG22 VAL 9 HG22 VAL 9 11.601 17.914 -1.841
61 HG23 VAL 9 HG23 VAL 9 11.792 17.233 -0.226
62 H LYS 10 H LYS 10 15.886 18.897 -2.776
63 HA LYS 10 HA LYS 10 18.024 19.097 -0.763
64 HB2 LYS 10 HB2 LYS 10 19.485 19.484 -2.830
65 HB3 LYS 10 HB3 LYS 10 18.863 17.859 -2.576
66 HG2 LYS 10 HG2 LYS 10 17.263 19.698 -4.265
67 HG3 LYS 10 HG3 LYS 10 18.767 19.056 -4.932
68 HD2 LYS 10 HD2 LYS 10 16.938 17.137 -3.601
69 HD3 LYS 10 HD3 LYS 10 16.434 17.784 -5.164
70 HE2 LYS 10 HE2 LYS 10 18.454 16.999 -6.201
71 HE3 LYS 10 HE3 LYS 10 19.116 16.511 -4.642
72 HZ1 LYS 10 HZ1 LYS 10 17.708 14.928 -6.360
73 HZ2 LYS 10 HZ2 LYS 10 16.575 15.311 -5.164
74 HZ3 LYS 10 HZ3 LYS 10 18.041 14.583 -4.737
75 H LEU 11 H LEU 11 18.710 21.040 -0.106
76 HA LEU 11 HA LEU 11 17.827 23.408 -1.620
77 HB2 LEU 11 HB2 LEU 11 17.871 22.967 1.356
78 HB3 LEU 11 HB3 LEU 11 17.732 24.564 0.623
79 HG LEU 11 HG LEU 11 15.656 23.579 -0.568
80 HD11 LEU 11 HD11 LEU 11 16.467 21.366 1.075
81 HD12 LEU 11 HD12 LEU 11 15.190 21.454 -0.138
82 HD13 LEU 11 HD13 LEU 11 14.854 21.914 1.531
83 HD21 LEU 11 HD21 LEU 11 14.396 23.882 1.751
84 HD22 LEU 11 HD22 LEU 11 15.101 25.243 0.879
85 HD23 LEU 11 HD23 LEU 11 15.972 24.514 2.229
86 H ARG 12 H ARG 12 19.135 25.375 -1.127
87 HA ARG 12 HA ARG 12 21.967 24.627 -0.926
88 HB2 ARG 12 HB2 ARG 12 20.663 26.114 -2.828
89 HB3 ARG 12 HB3 ARG 12 21.332 27.361 -1.784
90 HG2 ARG 12 HG2 ARG 12 23.057 27.106 -3.243
91 HG3 ARG 12 HG3 ARG 12 23.519 25.913 -2.028
92 HD2 ARG 12 HD2 ARG 12 23.010 24.141 -3.374
93 HD3 ARG 12 HD3 ARG 12 21.752 25.022 -4.240
94 HE ARG 12 HE ARG 12 24.548 24.880 -4.908
95 HH11 ARG 12 HH11 ARG 12 21.597 26.696 -5.253
96 HH12 ARG 12 HH12 ARG 12 22.091 27.469 -6.723
97 HH21 ARG 12 HH21 ARG 12 25.209 25.891 -6.843
98 HH22 ARG 12 HH22 ARG 12 24.145 27.009 -7.627
99 H VAL 13 H VAL 13 23.006 25.071 0.892
100 HA VAL 13 HA VAL 13 21.842 26.939 2.804
101 HB VAL 13 HB VAL 13 24.357 25.391 3.313
102 HG11 VAL 13 HG11 VAL 13 22.104 25.845 5.224
103 HG12 VAL 13 HG12 VAL 13 23.825 25.633 5.550
104 HG13 VAL 13 HG13 VAL 13 23.236 27.149 4.866
105 HG21 VAL 13 HG21 VAL 13 21.645 24.296 2.893
106 HG22 VAL 13 HG22 VAL 13 23.222 23.529 2.701
107 HG23 VAL 13 HG23 VAL 13 22.518 23.709 4.308
108 H GLU 14 H GLU 14 22.466 28.986 2.856
109 HA GLU 14 HA GLU 14 25.123 29.683 1.801
110 HB2 GLU 14 HB2 GLU 14 22.485 30.914 1.593
111 HB3 GLU 14 HB3 GLU 14 23.723 32.054 2.101
112 HG2 GLU 14 HG2 GLU 14 23.318 31.892 -0.373
113 HG3 GLU 14 HG3 GLU 14 24.992 31.708 0.150
114 H GLY 15 H GLY 15 23.543 29.201 4.663
115 HA2 GLY 15 HA2 GLY 15 24.992 31.330 6.082
116 HA3 GLY 15 HA3 GLY 15 23.669 30.378 6.740
117 H MET 16 H MET 16 25.311 28.071 5.299
118 HA MET 16 HA MET 16 26.336 26.909 7.601
119 HB2 MET 16 HB2 MET 16 27.264 25.245 6.217
120 HB3 MET 16 HB3 MET 16 25.850 25.820 5.344
121 HG2 MET 16 HG2 MET 16 27.716 27.444 4.306
122 HG3 MET 16 HG3 MET 16 28.711 26.039 4.682
123 HE1 MET 16 HE1 MET 16 27.475 23.529 4.173
124 HE2 MET 16 HE2 MET 16 25.805 24.080 4.315
125 HE3 MET 16 HE3 MET 16 26.357 23.308 2.827
126 H THR 17 H THR 17 27.763 29.231 5.447
127 HA THR 17 HA THR 17 29.807 30.249 5.377
128 HB THR 17 HB THR 17 30.613 31.119 7.440
129 HG1 THR 17 HG1 THR 17 30.087 30.176 9.427
130 HG21 THR 17 HG21 THR 17 27.916 31.246 6.733
131 HG22 THR 17 HG22 THR 17 28.788 32.355 7.791
132 HG23 THR 17 HG23 THR 17 27.918 30.983 8.476
133 H CYS 18 H CYS 18 29.953 27.493 4.855
134 HA CYS 18 HA CYS 18 31.380 25.714 4.793
135 HB2 CYS 18 HB2 CYS 18 33.369 27.963 5.159
136 HB3 CYS 18 HB3 CYS 18 33.785 26.333 4.642
137 HG CYS 18 HG CYS 18 33.816 27.301 2.226
138 H GLN 19 H GLN 19 30.522 24.913 6.832
139 HA GLN 19 HA GLN 19 32.643 24.628 8.801
140 HB2 GLN 19 HB2 GLN 19 30.582 26.452 9.240
141 HB3 GLN 19 HB3 GLN 19 30.108 25.029 10.158
142 HG2 GLN 19 HG2 GLN 19 31.354 26.487 11.582
143 HG3 GLN 19 HG3 GLN 19 32.321 25.049 11.257
144 HE21 GLN 19 HE21 GLN 19 34.371 25.605 11.163
145 HE22 GLN 19 HE22 GLN 19 35.018 26.976 10.334
146 H SER 20 H SER 20 31.793 23.068 10.612
147 HA SER 20 HA SER 20 30.658 20.773 9.200
148 HB2 SER 20 HB2 SER 20 32.165 21.013 11.810
149 HB3 SER 20 HB3 SER 20 31.456 19.504 11.237
150 HG SER 20 HG SER 20 33.301 19.306 10.244
151 H CYS 21 H CYS 21 28.941 22.940 10.021
152 HA CYS 21 HA CYS 21 27.564 22.383 12.408
153 HB2 CYS 21 HB2 CYS 21 26.586 23.720 9.876
154 HB3 CYS 21 HB3 CYS 21 25.731 23.738 11.414
155 HG CYS 21 HG CYS 21 26.865 25.860 12.282
156 H VAL 22 H VAL 22 27.654 20.713 9.456
157 HA VAL 22 HA VAL 22 25.148 19.680 9.075
158 HB VAL 22 HB VAL 22 27.768 18.190 8.874
159 HG11 VAL 22 HG11 VAL 22 26.305 16.933 7.091
160 HG12 VAL 22 HG12 VAL 22 26.269 16.456 8.789
161 HG13 VAL 22 HG13 VAL 22 24.979 17.460 8.126
162 HG21 VAL 22 HG21 VAL 22 26.367 20.139 7.164
163 HG22 VAL 22 HG22 VAL 22 28.086 19.768 7.290
164 HG23 VAL 22 HG23 VAL 22 27.027 18.727 6.339
165 H SER 23 H SER 23 27.596 18.543 11.378
166 HA SER 23 HA SER 23 26.173 16.335 12.359
167 HB2 SER 23 HB2 SER 23 28.574 17.790 13.056
168 HB3 SER 23 HB3 SER 23 27.684 17.328 14.506
169 HG SER 23 HG SER 23 27.573 15.185 13.238
170 H SER 24 H SER 24 26.125 19.736 13.266
171 HA SER 24 HA SER 24 24.555 19.432 15.605
172 HB2 SER 24 HB2 SER 24 25.420 21.523 15.699
173 HB3 SER 24 HB3 SER 24 25.532 21.657 13.944
174 HG SER 24 HG SER 24 23.941 23.023 14.309
175 H ILE 25 H ILE 25 23.750 20.117 12.228
176 HA ILE 25 HA ILE 25 20.980 20.511 12.634
177 HB ILE 25 HB ILE 25 22.306 19.510 10.114
178 HG12 ILE 25 HG12 ILE 25 21.817 22.365 10.990
179 HG13 ILE 25 HG13 ILE 25 23.386 21.567 10.993
180 HG21 ILE 25 HG21 ILE 25 19.835 21.200 10.351
181 HG22 ILE 25 HG22 ILE 25 20.416 20.288 8.959
182 HG23 ILE 25 HG23 ILE 25 19.773 19.438 10.363
183 HD11 ILE 25 HD11 ILE 25 22.443 21.204 8.417
184 HD12 ILE 25 HD12 ILE 25 21.972 22.852 8.834
185 HD13 ILE 25 HD13 ILE 25 23.662 22.363 8.947
186 H GLU 26 H GLU 26 22.943 17.656 12.100
187 HA GLU 26 HA GLU 26 21.029 15.802 11.368
188 HB2 GLU 26 HB2 GLU 26 23.705 15.737 12.196
189 HB3 GLU 26 HB3 GLU 26 22.856 14.665 13.302
190 HG2 GLU 26 HG2 GLU 26 22.203 14.342 10.450
191 HG3 GLU 26 HG3 GLU 26 23.841 13.899 10.925
192 H GLY 27 H GLY 27 21.816 17.035 14.581
193 HA2 GLY 27 HA2 GLY 27 20.209 15.237 16.052
194 HA3 GLY 27 HA3 GLY 27 20.752 16.814 16.604
195 H LYS 28 H LYS 28 19.480 18.266 14.433
196 HA LYS 28 HA LYS 28 16.985 18.768 15.625
197 HB2 LYS 28 HB2 LYS 28 18.125 19.523 12.936
198 HB3 LYS 28 HB3 LYS 28 16.545 20.069 13.483
199 HG2 LYS 28 HG2 LYS 28 19.137 20.596 14.921
200 HG3 LYS 28 HG3 LYS 28 18.327 21.732 13.839
201 HD2 LYS 28 HD2 LYS 28 17.005 22.416 15.490
202 HD3 LYS 28 HD3 LYS 28 16.458 20.763 15.779
203 HE2 LYS 28 HE2 LYS 28 18.414 20.371 17.200
204 HE3 LYS 28 HE3 LYS 28 18.956 22.023 16.909
205 HZ1 LYS 28 HZ1 LYS 28 16.605 21.104 18.443
206 HZ2 LYS 28 HZ2 LYS 28 16.701 22.687 17.856
207 HZ3 LYS 28 HZ3 LYS 28 17.864 22.117 18.945
208 H VAL 29 H VAL 29 17.864 16.951 12.710
209 HA VAL 29 HA VAL 29 15.275 16.358 11.827
210 HB VAL 29 HB VAL 29 17.744 15.846 10.851
211 HG11 VAL 29 HG11 VAL 29 16.680 13.135 11.618
212 HG12 VAL 29 HG12 VAL 29 18.193 13.506 10.787
213 HG13 VAL 29 HG13 VAL 29 17.981 13.956 12.480
214 HG21 VAL 29 HG21 VAL 29 15.381 15.897 9.788
215 HG22 VAL 29 HG22 VAL 29 16.665 14.995 8.983
216 HG23 VAL 29 HG23 VAL 29 15.458 14.142 9.944
217 H ARG 30 H ARG 30 17.231 14.945 14.344
218 HA ARG 30 HA ARG 30 15.820 12.515 14.638
219 HB2 ARG 30 HB2 ARG 30 18.108 13.394 15.661
220 HB3 ARG 30 HB3 ARG 30 17.064 13.829 17.008
221 HG2 ARG 30 HG2 ARG 30 16.697 11.678 17.602
222 HG3 ARG 30 HG3 ARG 30 16.783 11.088 15.941
223 HD2 ARG 30 HD2 ARG 30 19.228 11.415 15.986
224 HD3 ARG 30 HD3 ARG 30 19.109 11.922 17.671
225 HE ARG 30 HE ARG 30 17.974 9.332 17.161
226 HH11 ARG 30 HH11 ARG 30 20.889 11.085 17.903
227 HH12 ARG 30 HH12 ARG 30 21.681 9.722 18.621
228 HH21 ARG 30 HH21 ARG 30 19.007 7.530 18.105
229 HH22 ARG 30 HH22 ARG 30 20.610 7.700 18.735
230 H LYS 31 H LYS 31 15.093 15.753 15.538
231 HA LYS 31 HA LYS 31 13.088 14.951 17.495
232 HB2 LYS 31 HB2 LYS 31 13.176 17.073 18.278
233 HB3 LYS 31 HB3 LYS 31 14.702 17.116 17.404
234 HG2 LYS 31 HG2 LYS 31 13.771 19.021 16.604
235 HG3 LYS 31 HG3 LYS 31 13.125 17.881 15.422
236 HD2 LYS 31 HD2 LYS 31 11.249 17.743 17.389
237 HD3 LYS 31 HD3 LYS 31 11.750 19.431 17.503
238 HE2 LYS 31 HE2 LYS 31 11.438 19.509 14.969
239 HE3 LYS 31 HE3 LYS 31 10.589 17.974 15.145
240 HZ1 LYS 31 HZ1 LYS 31 9.676 20.616 15.701
241 HZ2 LYS 31 HZ2 LYS 31 9.483 19.606 17.044
242 HZ3 LYS 31 HZ3 LYS 31 8.790 19.182 15.560
243 H LEU 32 H LEU 32 13.323 15.590 14.165
244 HA LEU 32 HA LEU 32 10.657 16.554 13.758
245 HB2 LEU 32 HB2 LEU 32 12.951 15.777 12.077
246 HB3 LEU 32 HB3 LEU 32 11.362 15.584 11.341
247 HG LEU 32 HG LEU 32 12.322 17.714 10.717
248 HD11 LEU 32 HD11 LEU 32 10.233 18.444 12.720
249 HD12 LEU 32 HD12 LEU 32 9.823 17.382 11.373
250 HD13 LEU 32 HD13 LEU 32 10.446 19.002 11.060
251 HD21 LEU 32 HD21 LEU 32 12.211 19.157 13.154
252 HD22 LEU 32 HD22 LEU 32 13.605 18.861 12.114
253 HD23 LEU 32 HD23 LEU 32 13.218 17.732 13.413
254 H GLN 33 H GLN 33 8.833 15.449 13.243
255 HA GLN 33 HA GLN 33 8.826 12.608 13.785
256 HB2 GLN 33 HB2 GLN 33 7.059 14.015 14.715
257 HB3 GLN 33 HB3 GLN 33 6.573 14.502 13.096
258 HG2 GLN 33 HG2 GLN 33 5.035 12.863 13.843
259 HG3 GLN 33 HG3 GLN 33 6.052 12.112 12.615
260 HE21 GLN 33 HE21 GLN 33 5.053 12.091 15.893
261 HE22 GLN 33 HE22 GLN 33 5.945 10.698 16.391
262 H GLY 34 H GLY 34 7.110 14.393 11.227
263 HA2 GLY 34 HA2 GLY 34 6.821 12.307 9.455
264 HA3 GLY 34 HA3 GLY 34 6.925 13.994 8.970
265 H VAL 35 H VAL 35 9.381 14.786 9.246
266 HA VAL 35 HA VAL 35 10.821 13.785 7.150
267 HB VAL 35 HB VAL 35 11.256 15.745 9.061
268 HG11 VAL 35 HG11 VAL 35 13.620 13.873 9.077
269 HG12 VAL 35 HG12 VAL 35 13.478 15.419 9.917
270 HG13 VAL 35 HG13 VAL 35 12.478 14.051 10.408
271 HG21 VAL 35 HG21 VAL 35 13.458 15.155 7.175
272 HG22 VAL 35 HG22 VAL 35 11.851 15.368 6.481
273 HG23 VAL 35 HG23 VAL 35 12.570 16.654 7.451
274 H VAL 36 H VAL 36 12.330 12.217 6.807
275 HA VAL 36 HA VAL 36 12.484 10.116 8.823
276 HB VAL 36 HB VAL 36 13.713 9.960 6.087
277 HG11 VAL 36 HG11 VAL 36 14.185 8.205 7.774
278 HG12 VAL 36 HG12 VAL 36 12.457 7.851 7.838
279 HG13 VAL 36 HG13 VAL 36 13.356 7.594 6.343
280 HG21 VAL 36 HG21 VAL 36 10.817 9.739 6.833
281 HG22 VAL 36 HG22 VAL 36 11.553 10.626 5.498
282 HG23 VAL 36 HG23 VAL 36 11.477 8.864 5.451
283 H ARG 37 H ARG 37 14.688 12.054 6.812
284 HA ARG 37 HA ARG 37 16.611 12.283 8.889
285 HB2 ARG 37 HB2 ARG 37 16.779 9.880 7.569
286 HB3 ARG 37 HB3 ARG 37 17.925 10.873 6.679
287 HG2 ARG 37 HG2 ARG 37 19.298 10.023 8.283
288 HG3 ARG 37 HG3 ARG 37 18.756 11.491 9.099
289 HD2 ARG 37 HD2 ARG 37 18.660 9.557 10.589
290 HD3 ARG 37 HD3 ARG 37 17.053 10.215 10.286
291 HE ARG 37 HE ARG 37 16.474 8.238 9.294
292 HH11 ARG 37 HH11 ARG 37 19.943 8.421 9.519
293 HH12 ARG 37 HH12 ARG 37 20.194 6.791 8.987
294 HH21 ARG 37 HH21 ARG 37 16.792 6.091 8.592
295 HH22 ARG 37 HH22 ARG 37 18.401 5.467 8.459
296 H VAL 38 H VAL 38 18.476 13.555 8.247
297 HA VAL 38 HA VAL 38 18.101 14.972 5.691
298 HB VAL 38 HB VAL 38 17.286 16.372 7.546
299 HG11 VAL 38 HG11 VAL 38 20.109 16.472 8.570
300 HG12 VAL 38 HG12 VAL 38 18.638 17.080 9.333
301 HG13 VAL 38 HG13 VAL 38 18.916 15.342 9.212
302 HG21 VAL 38 HG21 VAL 38 18.096 17.585 5.702
303 HG22 VAL 38 HG22 VAL 38 18.847 18.338 7.108
304 HG23 VAL 38 HG23 VAL 38 19.777 17.230 6.100
305 H LYS 39 H LYS 39 19.849 14.968 4.448
306 HA LYS 39 HA LYS 39 22.465 14.470 5.710
307 HB2 LYS 39 HB2 LYS 39 21.544 12.668 4.188
308 HB3 LYS 39 HB3 LYS 39 21.708 13.812 2.863
309 HG2 LYS 39 HG2 LYS 39 24.068 13.215 4.585
310 HG3 LYS 39 HG3 LYS 39 23.579 12.066 3.337
311 HD2 LYS 39 HD2 LYS 39 23.510 14.319 1.895
312 HD3 LYS 39 HD3 LYS 39 24.733 14.783 3.081
313 HE2 LYS 39 HE2 LYS 39 25.596 12.310 2.440
314 HE3 LYS 39 HE3 LYS 39 24.843 12.780 0.917
315 HZ1 LYS 39 HZ1 LYS 39 26.389 14.919 1.900
316 HZ2 LYS 39 HZ2 LYS 39 26.578 14.052 0.460
317 HZ3 LYS 39 HZ3 LYS 39 27.342 13.521 1.873
318 H VAL 40 H VAL 40 23.857 16.095 5.613
319 HA VAL 40 HA VAL 40 23.502 18.128 3.509
320 HB VAL 40 HB VAL 40 24.871 18.522 6.170
321 HG11 VAL 40 HG11 VAL 40 24.863 20.836 5.654
322 HG12 VAL 40 HG12 VAL 40 25.479 20.006 4.223
323 HG13 VAL 40 HG13 VAL 40 23.815 20.591 4.257
324 HG21 VAL 40 HG21 VAL 40 22.498 18.014 6.501
325 HG22 VAL 40 HG22 VAL 40 22.859 19.696 6.890
326 HG23 VAL 40 HG23 VAL 40 22.067 19.293 5.366
327 H SER 41 H SER 41 25.198 18.689 2.239
328 HA SER 41 HA SER 41 27.698 17.184 2.641
329 HB2 SER 41 HB2 SER 41 26.394 16.665 0.563
330 HB3 SER 41 HB3 SER 41 26.644 18.332 0.046
331 HG SER 41 HG SER 41 28.584 16.310 0.445
332 H LEU 42 H LEU 42 29.154 18.460 3.587
333 HA LEU 42 HA LEU 42 29.171 21.284 3.414
334 HB2 LEU 42 HB2 LEU 42 31.267 21.176 4.605
335 HB3 LEU 42 HB3 LEU 42 30.112 20.043 5.304
336 HG LEU 42 HG LEU 42 31.377 18.346 3.702
337 HD11 LEU 42 HD11 LEU 42 33.068 20.725 3.749
338 HD12 LEU 42 HD12 LEU 42 33.093 19.333 2.667
339 HD13 LEU 42 HD13 LEU 42 33.903 19.249 4.231
340 HD21 LEU 42 HD21 LEU 42 32.300 19.322 6.399
341 HD22 LEU 42 HD22 LEU 42 32.890 17.847 5.632
342 HD23 LEU 42 HD23 LEU 42 31.184 18.000 6.055
343 H SER 43 H SER 43 30.692 18.761 1.552
344 HA SER 43 HA SER 43 32.630 20.407 0.269
345 HB2 SER 43 HB2 SER 43 33.058 18.530 -1.146
346 HB3 SER 43 HB3 SER 43 32.700 17.878 0.453
347 HG SER 43 HG SER 43 31.108 17.873 -1.869
348 H ASN 44 H ASN 44 29.287 19.616 -0.348
349 HA ASN 44 HA ASN 44 29.377 21.043 -2.909
350 HB2 ASN 44 HB2 ASN 44 28.275 18.712 -2.582
351 HB3 ASN 44 HB3 ASN 44 26.958 19.616 -1.841
352 HD21 ASN 44 HD21 ASN 44 26.598 18.093 -4.108
353 HD22 ASN 44 HD22 ASN 44 26.259 19.134 -5.444
354 H GLN 45 H GLN 45 28.898 21.732 0.253
355 HA GLN 45 HA GLN 45 27.823 23.363 1.428
356 HB2 GLN 45 HB2 GLN 45 28.092 24.693 -1.269
357 HB3 GLN 45 HB3 GLN 45 27.561 25.537 0.180
358 HG2 GLN 45 HG2 GLN 45 29.718 24.861 1.255
359 HG3 GLN 45 HG3 GLN 45 30.238 24.266 -0.321
360 HE21 GLN 45 HE21 GLN 45 31.908 25.711 -0.530
361 HE22 GLN 45 HE22 GLN 45 31.664 27.403 -0.782
362 H GLU 46 H GLU 46 26.103 21.375 0.487
363 HA GLU 46 HA GLU 46 23.636 22.933 0.125
364 HB2 GLU 46 HB2 GLU 46 22.808 21.540 -1.536
365 HB3 GLU 46 HB3 GLU 46 24.510 21.656 -1.963
366 HG2 GLU 46 HG2 GLU 46 24.628 19.497 -0.411
367 HG3 GLU 46 HG3 GLU 46 22.957 19.355 -0.952
368 H ALA 47 H ALA 47 21.675 21.726 0.795
369 HA ALA 47 HA ALA 47 22.244 19.732 2.884
370 HB1 ALA 47 HB1 ALA 47 20.448 20.806 4.257
371 HB2 ALA 47 HB2 ALA 47 21.908 21.778 4.062
372 HB3 ALA 47 HB3 ALA 47 20.466 22.152 3.118
373 H VAL 48 H VAL 48 21.085 17.935 2.673
374 HA VAL 48 HA VAL 48 18.704 18.003 0.945
375 HB VAL 48 HB VAL 48 20.255 15.537 1.718
376 HG11 VAL 48 HG11 VAL 48 19.007 15.438 -0.844
377 HG12 VAL 48 HG12 VAL 48 18.682 14.456 0.585
378 HG13 VAL 48 HG13 VAL 48 17.824 15.978 0.347
379 HG21 VAL 48 HG21 VAL 48 20.962 15.966 -0.855
380 HG22 VAL 48 HG22 VAL 48 20.888 17.625 -0.260
381 HG23 VAL 48 HG23 VAL 48 21.940 16.451 0.530
382 H ILE 49 H ILE 49 16.770 17.647 1.814
383 HA ILE 49 HA ILE 49 16.650 16.456 4.508
384 HB ILE 49 HB ILE 49 14.628 18.350 3.314
385 HG12 ILE 49 HG12 ILE 49 15.957 19.586 5.460
386 HG13 ILE 49 HG13 ILE 49 17.226 18.885 4.461
387 HG21 ILE 49 HG21 ILE 49 13.647 16.990 5.000
388 HG22 ILE 49 HG22 ILE 49 15.029 17.213 6.071
389 HG23 ILE 49 HG23 ILE 49 13.957 18.569 5.723
390 HD11 ILE 49 HD11 ILE 49 15.089 20.429 3.107
391 HD12 ILE 49 HD12 ILE 49 16.300 21.312 4.038
392 HD13 ILE 49 HD13 ILE 49 16.799 20.266 2.709
393 H THR 50 H THR 50 15.835 14.478 4.514
394 HA THR 50 HA THR 50 14.050 13.644 2.348
395 HB THR 50 HB THR 50 15.408 11.961 4.464
396 HG1 THR 50 HG1 THR 50 17.042 12.471 3.161
397 HG21 THR 50 HG21 THR 50 14.071 10.310 3.796
398 HG22 THR 50 HG22 THR 50 14.714 10.473 2.162
399 HG23 THR 50 HG23 THR 50 13.283 11.385 2.641
400 H TYR 51 H TYR 51 11.931 13.532 2.652
401 HA TYR 51 HA TYR 51 10.899 12.994 5.347
402 HB2 TYR 51 HB2 TYR 51 9.433 14.794 5.354
403 HB3 TYR 51 HB3 TYR 51 10.858 15.496 4.596
404 HD1 TYR 51 HD1 TYR 51 10.855 15.064 1.902
405 HD2 TYR 51 HD2 TYR 51 7.423 15.366 4.398
406 HE1 TYR 51 HE1 TYR 51 9.503 15.716 -0.047
407 HE2 TYR 51 HE2 TYR 51 6.061 16.018 2.457
408 HH TYR 51 HH TYR 51 6.666 15.485 -0.477
409 H GLN 52 H GLN 52 8.398 12.651 5.158
410 HA GLN 52 HA GLN 52 7.882 10.996 2.776
411 HB2 GLN 52 HB2 GLN 52 7.134 10.451 5.651
412 HB3 GLN 52 HB3 GLN 52 6.501 9.541 4.286
413 HG2 GLN 52 HG2 GLN 52 8.515 8.519 3.855
414 HG3 GLN 52 HG3 GLN 52 9.449 9.790 4.643
415 HE21 GLN 52 HE21 GLN 52 8.483 6.685 4.913
416 HE22 GLN 52 HE22 GLN 52 8.581 6.488 6.626
417 HA PRO 53 HA PRO 53 4.352 13.594 2.224
418 HB2 PRO 53 HB2 PRO 53 3.050 12.052 0.408
419 HB3 PRO 53 HB3 PRO 53 4.476 13.015 0.004
420 HG2 PRO 53 HG2 PRO 53 4.276 10.092 0.620
421 HG3 PRO 53 HG3 PRO 53 5.212 10.907 -0.647
422 HD2 PRO 53 HD2 PRO 53 6.329 10.047 1.665
423 HD3 PRO 53 HD3 PRO 53 6.906 11.489 0.804
424 H TYR 54 H TYR 54 4.208 10.309 3.317
425 HA TYR 54 HA TYR 54 1.373 10.306 3.818
426 HB2 TYR 54 HB2 TYR 54 2.237 8.168 3.396
427 HB3 TYR 54 HB3 TYR 54 3.628 8.420 4.446
428 HD1 TYR 54 HD2 TYR 54 3.391 8.241 6.885
429 HD2 TYR 54 HD1 TYR 54 0.128 7.424 4.280
430 HE1 TYR 54 HE2 TYR 54 2.212 7.113 8.726
431 HE2 TYR 54 HE1 TYR 54 -1.061 6.295 6.114
432 HH TYR 54 HH TYR 54 -0.827 5.418 8.195
433 H LEU 55 H LEU 55 4.108 11.531 5.399
434 HA LEU 55 HA LEU 55 2.676 11.637 7.970
435 HB2 LEU 55 HB2 LEU 55 5.621 11.959 7.410
436 HB3 LEU 55 HB3 LEU 55 4.862 12.061 8.998
437 HG LEU 55 HG LEU 55 4.881 9.583 7.277
438 HD11 LEU 55 HD11 LEU 55 6.652 8.749 8.601
439 HD12 LEU 55 HD12 LEU 55 6.553 10.108 9.721
440 HD13 LEU 55 HD13 LEU 55 7.144 10.361 8.078
441 HD21 LEU 55 HD21 LEU 55 4.327 9.779 10.220
442 HD22 LEU 55 HD22 LEU 55 3.962 8.458 9.110
443 HD23 LEU 55 HD23 LEU 55 3.047 9.963 9.021
444 H ILE 56 H ILE 56 5.269 13.620 6.564
445 HA ILE 56 HA ILE 56 3.601 15.995 7.084
446 HB ILE 56 HB ILE 56 5.637 15.819 8.512
447 HG12 ILE 56 HG12 ILE 56 5.639 18.112 6.537
448 HG13 ILE 56 HG13 ILE 56 4.622 17.999 7.969
449 HG21 ILE 56 HG21 ILE 56 6.880 14.921 6.270
450 HG22 ILE 56 HG22 ILE 56 7.434 16.594 6.328
451 HG23 ILE 56 HG23 ILE 56 7.711 15.525 7.703
452 HD11 ILE 56 HD11 ILE 56 6.982 17.725 9.146
453 HD12 ILE 56 HD12 ILE 56 7.498 18.633 7.725
454 HD13 ILE 56 HD13 ILE 56 6.271 19.302 8.801
455 H GLN 57 H GLN 57 3.833 17.788 5.630
456 HA GLN 57 HA GLN 57 4.190 16.915 2.887
457 HB2 GLN 57 HB2 GLN 57 2.783 19.082 4.264
458 HB3 GLN 57 HB3 GLN 57 3.571 19.596 2.778
459 HG2 GLN 57 HG2 GLN 57 1.402 18.987 2.152
460 HG3 GLN 57 HG3 GLN 57 2.424 17.638 1.657
461 HE21 GLN 57 HE21 GLN 57 1.323 15.833 1.900
462 HE22 GLN 57 HE22 GLN 57 0.371 15.398 3.274
463 HA PRO 58 HA PRO 58 8.056 18.792 2.012
464 HB2 PRO 58 HB2 PRO 58 7.635 20.104 -0.327
465 HB3 PRO 58 HB3 PRO 58 7.705 18.342 -0.213
466 HG2 PRO 58 HG2 PRO 58 5.314 20.138 -0.335
467 HG3 PRO 58 HG3 PRO 58 5.603 18.602 -1.173
468 HD2 PRO 58 HD2 PRO 58 4.072 18.781 1.053
469 HD3 PRO 58 HD3 PRO 58 5.042 17.344 0.675
470 H GLU 59 H GLU 59 5.408 21.107 1.429
471 HA GLU 59 HA GLU 59 6.946 23.437 1.718
472 HB2 GLU 59 HB2 GLU 59 4.567 23.175 0.788
473 HB3 GLU 59 HB3 GLU 59 4.036 23.248 2.462
474 HG2 GLU 59 HG2 GLU 59 5.336 25.440 2.595
475 HG3 GLU 59 HG3 GLU 59 5.382 25.372 0.834
476 H ASP 60 H ASP 60 5.268 21.429 4.064
477 HA ASP 60 HA ASP 60 5.526 23.198 6.264
478 HB2 ASP 60 HB2 ASP 60 4.456 20.590 5.781
479 HB3 ASP 60 HB3 ASP 60 5.498 20.515 7.200
480 H LEU 61 H LEU 61 7.500 20.509 5.079
481 HA LEU 61 HA LEU 61 9.370 20.556 7.207
482 HB2 LEU 61 HB2 LEU 61 10.385 18.856 6.131
483 HB3 LEU 61 HB3 LEU 61 8.866 18.825 5.238
484 HG LEU 61 HG LEU 61 10.174 20.457 3.628
485 HD11 LEU 61 HD11 LEU 61 12.192 19.683 5.467
486 HD12 LEU 61 HD12 LEU 61 12.338 20.696 4.031
487 HD13 LEU 61 HD13 LEU 61 12.560 18.951 3.905
488 HD21 LEU 61 HD21 LEU 61 11.089 17.670 3.324
489 HD22 LEU 61 HD22 LEU 61 10.228 18.715 2.194
490 HD23 LEU 61 HD23 LEU 61 9.348 17.901 3.488
491 H ARG 62 H ARG 62 9.017 22.406 4.293
492 HA ARG 62 HA ARG 62 11.661 23.344 4.033
493 HB2 ARG 62 HB2 ARG 62 9.868 23.535 2.296
494 HB3 ARG 62 HB3 ARG 62 9.126 24.799 3.267
495 HG2 ARG 62 HG2 ARG 62 11.977 25.164 2.593
496 HG3 ARG 62 HG3 ARG 62 10.823 25.288 1.263
497 HD2 ARG 62 HD2 ARG 62 10.561 26.799 3.856
498 HD3 ARG 62 HD3 ARG 62 11.352 27.450 2.421
499 HE ARG 62 HE ARG 62 8.901 26.670 1.531
500 HH11 ARG 62 HH11 ARG 62 10.026 28.749 4.087
501 HH12 ARG 62 HH12 ARG 62 8.639 29.787 4.030
502 HH21 ARG 62 HH21 ARG 62 7.071 28.029 1.447
503 HH22 ARG 62 HH22 ARG 62 6.959 29.376 2.528
504 H ASP 63 H ASP 63 8.859 24.620 5.784
505 HA ASP 63 HA ASP 63 10.111 26.995 6.674
506 HB2 ASP 63 HB2 ASP 63 7.759 26.995 6.762
507 HB3 ASP 63 HB3 ASP 63 7.704 25.446 7.600
508 H HIS 64 H HIS 64 9.975 23.730 7.940
509 HA HIS 64 HA HIS 64 10.965 24.291 10.528
510 HB2 HIS 64 HB2 HIS 64 9.948 22.080 9.337
511 HB3 HIS 64 HB3 HIS 64 11.662 21.678 9.329
512 HD1 HIS 64 HD1 HIS 64 8.847 21.076 11.294
513 HD2 HIS 64 HD2 HIS 64 12.708 22.325 12.183
514 HE1 HIS 64 HE1 HIS 64 9.183 20.538 13.727
515 H VAL 65 H VAL 65 12.539 23.532 7.466
516 HA VAL 65 HA VAL 65 15.138 23.109 8.366
517 HB VAL 65 HB VAL 65 14.396 24.508 5.796
518 HG11 VAL 65 HG11 VAL 65 16.829 23.059 6.772
519 HG12 VAL 65 HG12 VAL 65 16.475 23.181 5.047
520 HG13 VAL 65 HG13 VAL 65 16.709 24.643 6.006
521 HG21 VAL 65 HG21 VAL 65 14.871 21.766 5.355
522 HG22 VAL 65 HG22 VAL 65 13.726 21.876 6.692
523 HG23 VAL 65 HG23 VAL 65 13.359 22.652 5.151
524 H ASN 66 H ASN 66 13.525 26.143 7.476
525 HA ASN 66 HA ASN 66 15.777 27.804 7.880
526 HB2 ASN 66 HB2 ASN 66 14.091 28.778 6.587
527 HB3 ASN 66 HB3 ASN 66 12.819 28.289 7.702
528 HD21 ASN 66 HD21 ASN 66 15.692 30.347 7.510
529 HD22 ASN 66 HD22 ASN 66 15.061 31.616 8.499
530 H ASP 67 H ASP 67 13.502 26.362 10.036
531 HA ASP 67 HA ASP 67 13.778 28.153 12.214
532 HB2 ASP 67 HB2 ASP 67 12.003 26.308 11.822
533 HB3 ASP 67 HB3 ASP 67 13.191 25.221 12.536
534 H MET 68 H MET 68 15.764 25.623 10.964
535 HA MET 68 HA MET 68 17.213 24.984 13.301
536 HB2 MET 68 HB2 MET 68 18.249 24.881 10.467
537 HB3 MET 68 HB3 MET 68 18.809 23.938 11.841
538 HG2 MET 68 HG2 MET 68 16.228 23.684 10.337
539 HG3 MET 68 HG3 MET 68 17.503 22.485 10.542
540 HE1 MET 68 HE1 MET 68 14.443 21.805 10.973
541 HE2 MET 68 HE2 MET 68 15.734 20.630 11.224
542 HE3 MET 68 HE3 MET 68 14.503 20.867 12.466
543 H GLY 69 H GLY 69 17.145 27.793 11.415
544 HA2 GLY 69 HA2 GLY 69 18.238 29.798 11.938
545 HA3 GLY 69 HA3 GLY 69 19.372 28.894 12.931
546 H PHE 70 H PHE 70 18.605 28.040 9.622
547 HA PHE 70 HA PHE 70 21.334 28.844 8.856
548 HB2 PHE 70 HB2 PHE 70 19.684 26.463 8.017
549 HB3 PHE 70 HB3 PHE 70 21.099 26.992 7.113
550 HD1 PHE 70 HD1 PHE 70 19.986 25.864 10.465
551 HD2 PHE 70 HD2 PHE 70 23.238 26.331 7.759
552 HE1 PHE 70 HE1 PHE 70 21.428 24.569 11.981
553 HE2 PHE 70 HE2 PHE 70 24.685 25.037 9.270
554 HZ PHE 70 HZ PHE 70 23.781 24.153 11.384
555 H GLU 71 H GLU 71 21.619 29.353 6.545
556 HA GLU 71 HA GLU 71 19.475 31.081 5.649
557 HB2 GLU 71 HB2 GLU 71 22.193 31.290 5.546
558 HB3 GLU 71 HB3 GLU 71 21.831 30.751 3.913
559 HG2 GLU 71 HG2 GLU 71 21.931 33.186 4.084
560 HG3 GLU 71 HG3 GLU 71 20.339 32.620 3.584
561 H ALA 72 H ALA 72 19.905 27.905 5.372
562 HA ALA 72 HA ALA 72 19.887 27.074 2.797
563 HB1 ALA 72 HB1 ALA 72 19.572 25.247 4.054
564 HB2 ALA 72 HB2 ALA 72 18.630 26.121 5.263
565 HB3 ALA 72 HB3 ALA 72 17.856 25.551 3.784
566 H ALA 73 H ALA 73 18.579 27.137 1.046
567 HA ALA 73 HA ALA 73 15.895 28.285 1.330
568 HB1 ALA 73 HB1 ALA 73 17.956 29.837 0.477
569 HB2 ALA 73 HB2 ALA 73 17.333 29.214 -1.051
570 HB3 ALA 73 HB3 ALA 73 16.264 30.088 0.046
571 H ILE 74 H ILE 74 14.440 27.745 -0.355
572 HA ILE 74 HA ILE 74 14.697 25.135 -1.353
573 HB ILE 74 HB ILE 74 12.846 27.244 -2.458
574 HG12 ILE 74 HG12 ILE 74 11.409 25.755 -0.620
575 HG13 ILE 74 HG13 ILE 74 12.953 26.005 0.187
576 HG21 ILE 74 HG21 ILE 74 12.389 25.507 -3.813
577 HG22 ILE 74 HG22 ILE 74 13.099 24.327 -2.712
578 HG23 ILE 74 HG23 ILE 74 11.463 24.922 -2.431
579 HD11 ILE 74 HD11 ILE 74 12.128 28.466 -0.969
580 HD12 ILE 74 HD12 ILE 74 10.786 27.790 -0.045
581 HD13 ILE 74 HD13 ILE 74 12.347 28.055 0.732
582 H LYS 75 H LYS 75 15.801 24.376 -3.022
583 HA LYS 75 HA LYS 75 17.404 25.863 -4.708
584 HB2 LYS 75 HB2 LYS 75 17.624 23.865 -6.066
585 HB3 LYS 75 HB3 LYS 75 17.608 23.423 -4.364
586 HG2 LYS 75 HG2 LYS 75 16.134 21.875 -5.030
587 HG3 LYS 75 HG3 LYS 75 14.980 23.209 -4.957
588 HD2 LYS 75 HD2 LYS 75 14.908 23.449 -7.239
589 HD3 LYS 75 HD3 LYS 75 16.534 22.800 -7.466
590 HE2 LYS 75 HE2 LYS 75 14.397 21.007 -6.418
591 HE3 LYS 75 HE3 LYS 75 14.404 21.407 -8.135
592 HZ1 LYS 75 HZ1 LYS 75 15.788 19.391 -7.059
593 HZ2 LYS 75 HZ2 LYS 75 16.965 20.606 -7.051
594 HZ3 LYS 75 HZ3 LYS 75 16.216 20.163 -8.502
595 H SER 76 H SER 76 14.044 24.917 -5.107
596 HA SER 76 HA SER 76 13.908 25.937 -7.809
597 HB2 SER 76 HB2 SER 76 12.556 23.979 -7.081
598 HB3 SER 76 HB3 SER 76 11.663 25.036 -5.988
599 HG SER 76 HG SER 76 11.413 24.702 -8.687
Start of MODEL 17
1 H1 ALA 1 H ALA 1 2.467 0.516 6.027
2 HA ALA 1 HA ALA 1 0.975 1.771 3.852
3 HB1 ALA 1 HB1 ALA 1 1.349 2.305 6.670
4 HB2 ALA 1 HB2 ALA 1 1.632 3.744 5.690
5 HB3 ALA 1 HB3 ALA 1 0.098 2.882 5.569
6 H GLY 2 H GLY 2 1.787 4.061 3.272
7 HA2 GLY 2 HA2 GLY 2 3.527 5.497 2.650
8 HA3 GLY 2 HA3 GLY 2 4.684 4.320 3.255
9 H HIS 3 H HIS 3 4.125 2.072 1.874
10 HA HIS 3 HA HIS 3 4.513 1.009 -0.100
11 HB2 HIS 3 HB2 HIS 3 3.321 3.448 -1.425
12 HB3 HIS 3 HB3 HIS 3 3.405 1.813 -2.074
13 HD1 HIS 3 HD1 HIS 3 1.391 4.002 0.128
14 HD2 HIS 3 HD2 HIS 3 1.544 -0.012 -0.931
15 HE1 HIS 3 HE1 HIS 3 -0.781 3.014 0.923
16 H MET 4 H MET 4 6.476 2.917 1.040
17 HA MET 4 HA MET 4 8.531 3.753 0.545
18 HB2 MET 4 HB2 MET 4 8.642 1.481 -0.600
19 HB3 MET 4 HB3 MET 4 8.305 2.329 -2.103
20 HG2 MET 4 HG2 MET 4 10.558 2.326 -2.220
21 HG3 MET 4 HG3 MET 4 10.351 3.802 -1.279
22 HE1 MET 4 HE1 MET 4 13.597 1.902 0.075
23 HE2 MET 4 HE2 MET 4 12.974 2.129 -1.559
24 HE3 MET 4 HE3 MET 4 13.030 3.492 -0.440
25 H GLN 5 H GLN 5 6.292 5.371 -0.058
26 HA GLN 5 HA GLN 5 6.914 6.662 -2.597
27 HB2 GLN 5 HB2 GLN 5 4.689 6.946 -0.598
28 HB3 GLN 5 HB3 GLN 5 4.945 8.161 -1.842
29 HG2 GLN 5 HG2 GLN 5 4.479 6.647 -3.572
30 HG3 GLN 5 HG3 GLN 5 4.626 5.254 -2.501
31 HE21 GLN 5 HE21 GLN 5 2.872 8.298 -2.093
32 HE22 GLN 5 HE22 GLN 5 1.312 7.578 -1.911
33 H GLU 6 H GLU 6 8.516 6.726 0.055
34 HA GLU 6 HA GLU 6 8.488 9.318 1.094
35 HB2 GLU 6 HB2 GLU 6 10.816 8.832 1.831
36 HB3 GLU 6 HB3 GLU 6 9.671 7.562 2.237
37 HG2 GLU 6 HG2 GLU 6 10.441 6.351 0.177
38 HG3 GLU 6 HG3 GLU 6 11.723 7.552 0.044
39 H ALA 7 H ALA 7 9.514 11.202 0.570
40 HA ALA 7 HA ALA 7 11.020 11.242 -1.963
41 HB1 ALA 7 HB1 ALA 7 9.384 12.458 -2.849
42 HB2 ALA 7 HB2 ALA 7 8.564 12.605 -1.294
43 HB3 ALA 7 HB3 ALA 7 9.833 13.748 -1.733
44 H VAL 8 H VAL 8 12.654 12.824 -2.148
45 HA VAL 8 HA VAL 8 13.478 14.034 0.412
46 HB VAL 8 HB VAL 8 15.363 13.069 -1.737
47 HG11 VAL 8 HG11 VAL 8 16.237 14.849 -0.320
48 HG12 VAL 8 HG12 VAL 8 15.825 13.918 1.122
49 HG13 VAL 8 HG13 VAL 8 17.059 13.324 0.010
50 HG21 VAL 8 HG21 VAL 8 14.811 11.010 -1.034
51 HG22 VAL 8 HG22 VAL 8 15.773 11.414 0.388
52 HG23 VAL 8 HG23 VAL 8 14.021 11.612 0.423
53 H VAL 9 H VAL 9 14.212 16.117 0.387
54 HA VAL 9 HA VAL 9 14.185 17.500 -2.217
55 HB VAL 9 HB VAL 9 12.198 18.077 -0.869
56 HG11 VAL 9 HG11 VAL 9 13.238 17.755 1.346
57 HG12 VAL 9 HG12 VAL 9 14.170 19.233 1.099
58 HG13 VAL 9 HG13 VAL 9 12.410 19.305 1.202
59 HG21 VAL 9 HG21 VAL 9 13.654 19.716 -2.352
60 HG22 VAL 9 HG22 VAL 9 12.242 20.283 -1.461
61 HG23 VAL 9 HG23 VAL 9 13.859 20.541 -0.807
62 H LYS 10 H LYS 10 15.897 18.748 -2.683
63 HA LYS 10 HA LYS 10 17.933 19.092 -0.585
64 HB2 LYS 10 HB2 LYS 10 19.533 19.344 -2.500
65 HB3 LYS 10 HB3 LYS 10 18.791 17.754 -2.374
66 HG2 LYS 10 HG2 LYS 10 17.433 19.717 -4.116
67 HG3 LYS 10 HG3 LYS 10 18.989 19.094 -4.670
68 HD2 LYS 10 HD2 LYS 10 16.895 17.206 -3.672
69 HD3 LYS 10 HD3 LYS 10 16.788 17.852 -5.311
70 HE2 LYS 10 HE2 LYS 10 19.011 16.993 -5.808
71 HE3 LYS 10 HE3 LYS 10 19.163 16.392 -4.158
72 HZ1 LYS 10 HZ1 LYS 10 17.045 15.506 -6.037
73 HZ2 LYS 10 HZ2 LYS 10 17.433 14.830 -4.535
74 HZ3 LYS 10 HZ3 LYS 10 18.513 14.690 -5.830
75 H LEU 11 H LEU 11 18.658 21.083 -0.068
76 HA LEU 11 HA LEU 11 17.671 23.351 -1.669
77 HB2 LEU 11 HB2 LEU 11 17.915 23.176 1.330
78 HB3 LEU 11 HB3 LEU 11 17.490 24.631 0.431
79 HG LEU 11 HG LEU 11 15.516 23.171 -0.452
80 HD11 LEU 11 HD11 LEU 11 15.343 21.129 0.390
81 HD12 LEU 11 HD12 LEU 11 15.142 21.828 1.996
82 HD13 LEU 11 HD13 LEU 11 16.751 21.400 1.416
83 HD21 LEU 11 HD21 LEU 11 14.753 24.945 0.725
84 HD22 LEU 11 HD22 LEU 11 15.865 24.674 2.067
85 HD23 LEU 11 HD23 LEU 11 14.399 23.702 1.926
86 H ARG 12 H ARG 12 19.024 25.149 -1.851
87 HA ARG 12 HA ARG 12 21.845 24.549 -1.466
88 HB2 ARG 12 HB2 ARG 12 20.493 25.750 -3.510
89 HB3 ARG 12 HB3 ARG 12 21.100 27.148 -2.632
90 HG2 ARG 12 HG2 ARG 12 23.341 26.493 -2.931
91 HG3 ARG 12 HG3 ARG 12 22.876 24.873 -3.455
92 HD2 ARG 12 HD2 ARG 12 23.498 26.058 -5.408
93 HD3 ARG 12 HD3 ARG 12 21.737 25.963 -5.421
94 HE ARG 12 HE ARG 12 22.643 28.366 -4.198
95 HH11 ARG 12 HH11 ARG 12 22.152 26.827 -7.282
96 HH12 ARG 12 HH12 ARG 12 21.938 28.317 -8.139
97 HH21 ARG 12 HH21 ARG 12 22.363 30.335 -5.315
98 HH22 ARG 12 HH22 ARG 12 22.058 30.312 -7.019
99 H VAL 13 H VAL 13 22.900 25.200 0.279
100 HA VAL 13 HA VAL 13 21.752 27.219 2.019
101 HB VAL 13 HB VAL 13 24.389 25.870 2.500
102 HG11 VAL 13 HG11 VAL 13 24.069 26.411 4.707
103 HG12 VAL 13 HG12 VAL 13 23.257 27.766 3.920
104 HG13 VAL 13 HG13 VAL 13 22.312 26.423 4.564
105 HG21 VAL 13 HG21 VAL 13 21.723 24.627 2.403
106 HG22 VAL 13 HG22 VAL 13 23.323 23.898 2.257
107 HG23 VAL 13 HG23 VAL 13 22.670 24.280 3.850
108 H GLU 14 H GLU 14 22.676 29.177 2.539
109 HA GLU 14 HA GLU 14 24.754 30.109 0.684
110 HB2 GLU 14 HB2 GLU 14 22.332 31.196 1.107
111 HB3 GLU 14 HB3 GLU 14 23.246 32.049 2.344
112 HG2 GLU 14 HG2 GLU 14 24.418 31.939 -0.371
113 HG3 GLU 14 HG3 GLU 14 22.995 32.953 -0.139
114 H GLY 15 H GLY 15 23.792 30.177 4.095
115 HA2 GLY 15 HA2 GLY 15 26.042 31.614 5.029
116 HA3 GLY 15 HA3 GLY 15 24.993 30.598 6.007
117 H MET 16 H MET 16 25.664 28.592 6.602
118 HA MET 16 HA MET 16 27.306 27.112 7.243
119 HB2 MET 16 HB2 MET 16 27.981 25.654 5.423
120 HB3 MET 16 HB3 MET 16 26.293 26.107 5.228
121 HG2 MET 16 HG2 MET 16 26.745 27.501 3.427
122 HG3 MET 16 HG3 MET 16 28.457 27.621 3.827
123 HE1 MET 16 HE1 MET 16 26.308 23.959 2.210
124 HE2 MET 16 HE2 MET 16 27.106 23.689 3.760
125 HE3 MET 16 HE3 MET 16 25.885 24.953 3.605
126 H THR 17 H THR 17 28.260 29.857 6.967
127 HA THR 17 HA THR 17 30.845 29.780 5.729
128 HB THR 17 HB THR 17 31.116 31.948 7.189
129 HG1 THR 17 HG1 THR 17 29.375 31.834 8.523
130 HG21 THR 17 HG21 THR 17 29.315 32.987 5.454
131 HG22 THR 17 HG22 THR 17 29.615 31.417 4.708
132 HG23 THR 17 HG23 THR 17 30.956 32.522 5.008
133 H CYS 18 H CYS 18 31.281 27.688 7.016
134 HA CYS 18 HA CYS 18 32.575 26.615 8.547
135 HB2 CYS 18 HB2 CYS 18 33.567 29.347 9.368
136 HB3 CYS 18 HB3 CYS 18 34.394 27.805 9.560
137 HG CYS 18 HG CYS 18 33.875 27.985 6.410
138 H GLN 19 H GLN 19 30.299 26.386 9.491
139 HA GLN 19 HA GLN 19 30.267 27.525 12.208
140 HB2 GLN 19 HB2 GLN 19 27.995 26.848 10.348
141 HB3 GLN 19 HB3 GLN 19 27.755 27.065 12.077
142 HG2 GLN 19 HG2 GLN 19 28.821 29.118 10.153
143 HG3 GLN 19 HG3 GLN 19 27.216 29.093 10.880
144 HE21 GLN 19 HE21 GLN 19 27.439 28.782 13.408
145 HE22 GLN 19 HE22 GLN 19 28.497 29.923 14.158
146 H SER 20 H SER 20 30.097 24.680 10.246
147 HA SER 20 HA SER 20 30.187 22.461 10.745
148 HB2 SER 20 HB2 SER 20 31.510 21.871 12.500
149 HB3 SER 20 HB3 SER 20 31.794 23.609 12.598
150 HG SER 20 HG SER 20 31.196 22.729 14.621
151 H CYS 21 H CYS 21 27.765 24.289 11.357
152 HA CYS 21 HA CYS 21 26.278 23.095 13.427
153 HB2 CYS 21 HB2 CYS 21 25.918 25.256 11.805
154 HB3 CYS 21 HB3 CYS 21 24.742 24.133 11.134
155 HG CYS 21 HG CYS 21 24.778 24.664 14.489
156 H VAL 22 H VAL 22 27.163 21.926 10.378
157 HA VAL 22 HA VAL 22 25.057 20.440 9.460
158 HB VAL 22 HB VAL 22 27.953 19.588 9.576
159 HG11 VAL 22 HG11 VAL 22 25.551 18.364 8.334
160 HG12 VAL 22 HG12 VAL 22 27.059 18.333 7.418
161 HG13 VAL 22 HG13 VAL 22 26.985 17.601 9.021
162 HG21 VAL 22 HG21 VAL 22 27.935 21.556 8.350
163 HG22 VAL 22 HG22 VAL 22 27.751 20.325 7.100
164 HG23 VAL 22 HG23 VAL 22 26.345 21.231 7.660
165 H SER 23 H SER 23 27.341 19.531 12.021
166 HA SER 23 HA SER 23 26.266 16.969 12.505
167 HB2 SER 23 HB2 SER 23 28.301 18.659 13.645
168 HB3 SER 23 HB3 SER 23 27.344 17.925 14.931
169 HG SER 23 HG SER 23 29.267 16.757 13.853
170 H SER 24 H SER 24 25.515 20.154 13.801
171 HA SER 24 HA SER 24 23.790 19.276 15.868
172 HB2 SER 24 HB2 SER 24 23.573 21.934 14.460
173 HB3 SER 24 HB3 SER 24 23.187 21.553 16.138
174 HG SER 24 HG SER 24 25.260 21.628 16.654
175 H ILE 25 H ILE 25 23.245 20.233 12.511
176 HA ILE 25 HA ILE 25 20.457 20.256 12.513
177 HB ILE 25 HB ILE 25 22.265 19.410 10.246
178 HG12 ILE 25 HG12 ILE 25 21.081 22.142 10.495
179 HG13 ILE 25 HG13 ILE 25 22.499 21.752 11.462
180 HG21 ILE 25 HG21 ILE 25 20.431 20.055 8.791
181 HG22 ILE 25 HG22 ILE 25 19.909 18.805 9.919
182 HG23 ILE 25 HG23 ILE 25 19.448 20.485 10.191
183 HD11 ILE 25 HD11 ILE 25 22.428 22.619 8.814
184 HD12 ILE 25 HD12 ILE 25 23.828 22.045 9.721
185 HD13 ILE 25 HD13 ILE 25 22.886 20.917 8.745
186 H GLU 26 H GLU 26 22.695 17.603 12.540
187 HA GLU 26 HA GLU 26 21.019 15.571 11.555
188 HB2 GLU 26 HB2 GLU 26 23.612 15.763 12.728
189 HB3 GLU 26 HB3 GLU 26 22.726 14.495 13.562
190 HG2 GLU 26 HG2 GLU 26 23.119 13.109 11.891
191 HG3 GLU 26 HG3 GLU 26 22.267 14.186 10.785
192 H GLY 27 H GLY 27 21.386 16.986 14.753
193 HA2 GLY 27 HA2 GLY 27 19.939 15.062 16.214
194 HA3 GLY 27 HA3 GLY 27 20.167 16.741 16.683
195 H LYS 28 H LYS 28 18.885 17.736 14.224
196 HA LYS 28 HA LYS 28 16.266 18.005 15.179
197 HB2 LYS 28 HB2 LYS 28 17.563 18.565 12.528
198 HB3 LYS 28 HB3 LYS 28 15.833 18.793 12.746
199 HG2 LYS 28 HG2 LYS 28 17.991 20.139 14.359
200 HG3 LYS 28 HG3 LYS 28 17.077 20.874 13.040
201 HD2 LYS 28 HD2 LYS 28 15.041 20.029 14.563
202 HD3 LYS 28 HD3 LYS 28 16.258 20.264 15.820
203 HE2 LYS 28 HE2 LYS 28 16.568 22.557 15.159
204 HE3 LYS 28 HE3 LYS 28 15.507 22.342 13.768
205 HZ1 LYS 28 HZ1 LYS 28 14.838 22.723 16.570
206 HZ2 LYS 28 HZ2 LYS 28 13.880 21.610 15.732
207 HZ3 LYS 28 HZ3 LYS 28 14.001 23.205 15.181
208 H VAL 29 H VAL 29 17.643 15.846 12.745
209 HA VAL 29 HA VAL 29 15.355 14.769 11.645
210 HB VAL 29 HB VAL 29 17.977 13.415 12.275
211 HG11 VAL 29 HG11 VAL 29 16.287 11.701 12.087
212 HG12 VAL 29 HG12 VAL 29 15.677 12.421 10.595
213 HG13 VAL 29 HG13 VAL 29 17.286 11.700 10.634
214 HG21 VAL 29 HG21 VAL 29 17.299 15.363 10.408
215 HG22 VAL 29 HG22 VAL 29 18.752 14.363 10.415
216 HG23 VAL 29 HG23 VAL 29 17.337 13.857 9.492
217 H ARG 30 H ARG 30 17.034 13.763 14.609
218 HA ARG 30 HA ARG 30 15.324 11.606 15.219
219 HB2 ARG 30 HB2 ARG 30 17.642 12.196 16.197
220 HB3 ARG 30 HB3 ARG 30 16.753 13.233 17.304
221 HG2 ARG 30 HG2 ARG 30 16.872 11.340 18.557
222 HG3 ARG 30 HG3 ARG 30 15.359 11.032 17.703
223 HD2 ARG 30 HD2 ARG 30 16.542 9.032 17.491
224 HD3 ARG 30 HD3 ARG 30 16.813 9.852 15.954
225 HE ARG 30 HE ARG 30 18.912 10.595 17.564
226 HH11 ARG 30 HH11 ARG 30 17.600 7.603 16.359
227 HH12 ARG 30 HH12 ARG 30 19.129 6.788 16.343
228 HH21 ARG 30 HH21 ARG 30 20.931 9.532 17.546
229 HH22 ARG 30 HH22 ARG 30 21.022 7.886 17.019
230 H LYS 31 H LYS 31 14.991 15.018 15.596
231 HA LYS 31 HA LYS 31 12.802 14.762 17.504
232 HB2 LYS 31 HB2 LYS 31 13.930 17.247 16.203
233 HB3 LYS 31 HB3 LYS 31 12.804 17.196 17.553
234 HG2 LYS 31 HG2 LYS 31 15.537 15.964 17.696
235 HG3 LYS 31 HG3 LYS 31 15.233 17.656 18.099
236 HD2 LYS 31 HD2 LYS 31 13.672 15.422 19.363
237 HD3 LYS 31 HD3 LYS 31 15.223 15.956 20.014
238 HE2 LYS 31 HE2 LYS 31 13.028 17.920 19.463
239 HE3 LYS 31 HE3 LYS 31 13.045 16.983 20.957
240 HZ1 LYS 31 HZ1 LYS 31 15.602 18.043 20.565
241 HZ2 LYS 31 HZ2 LYS 31 14.494 18.413 21.788
242 HZ3 LYS 31 HZ3 LYS 31 14.491 19.301 20.348
243 H LEU 32 H LEU 32 13.277 14.853 14.149
244 HA LEU 32 HA LEU 32 10.807 16.111 13.424
245 HB2 LEU 32 HB2 LEU 32 13.065 14.840 12.054
246 HB3 LEU 32 HB3 LEU 32 11.512 14.626 11.248
247 HG LEU 32 HG LEU 32 12.733 16.537 10.350
248 HD11 LEU 32 HD11 LEU 32 10.162 16.453 10.719
249 HD12 LEU 32 HD12 LEU 32 10.926 17.963 10.225
250 HD13 LEU 32 HD13 LEU 32 10.476 17.714 11.912
251 HD21 LEU 32 HD21 LEU 32 12.921 18.572 11.855
252 HD22 LEU 32 HD22 LEU 32 14.073 17.267 12.144
253 HD23 LEU 32 HD23 LEU 32 12.680 17.466 13.208
254 H GLN 33 H GLN 33 8.857 15.216 13.016
255 HA GLN 33 HA GLN 33 8.438 12.487 13.896
256 HB2 GLN 33 HB2 GLN 33 6.045 13.018 13.669
257 HB3 GLN 33 HB3 GLN 33 6.890 14.205 14.654
258 HG2 GLN 33 HG2 GLN 33 7.026 15.667 12.639
259 HG3 GLN 33 HG3 GLN 33 5.995 14.510 11.801
260 HE21 GLN 33 HE21 GLN 33 5.356 17.213 12.219
261 HE22 GLN 33 HE22 GLN 33 3.967 17.287 13.245
262 H GLY 34 H GLY 34 8.008 14.393 10.935
263 HA2 GLY 34 HA2 GLY 34 7.213 12.008 9.458
264 HA3 GLY 34 HA3 GLY 34 7.258 13.652 8.837
265 H VAL 35 H VAL 35 9.733 14.512 9.117
266 HA VAL 35 HA VAL 35 11.182 13.509 7.049
267 HB VAL 35 HB VAL 35 11.682 15.346 9.147
268 HG11 VAL 35 HG11 VAL 35 14.003 13.482 8.657
269 HG12 VAL 35 HG12 VAL 35 14.068 14.999 9.557
270 HG13 VAL 35 HG13 VAL 35 13.110 13.650 10.168
271 HG21 VAL 35 HG21 VAL 35 13.329 14.824 6.678
272 HG22 VAL 35 HG22 VAL 35 11.795 15.695 6.679
273 HG23 VAL 35 HG23 VAL 35 13.178 16.343 7.562
274 H VAL 36 H VAL 36 12.579 11.872 6.664
275 HA VAL 36 HA VAL 36 12.746 9.773 8.678
276 HB VAL 36 HB VAL 36 13.903 9.585 5.913
277 HG11 VAL 36 HG11 VAL 36 12.962 7.673 8.012
278 HG12 VAL 36 HG12 VAL 36 13.014 7.183 6.318
279 HG13 VAL 36 HG13 VAL 36 14.490 7.705 7.132
280 HG21 VAL 36 HG21 VAL 36 11.708 10.371 5.475
281 HG22 VAL 36 HG22 VAL 36 11.672 8.624 5.236
282 HG23 VAL 36 HG23 VAL 36 11.012 9.326 6.713
283 H ARG 37 H ARG 37 14.926 11.716 6.655
284 HA ARG 37 HA ARG 37 16.925 11.792 8.687
285 HB2 ARG 37 HB2 ARG 37 17.021 9.494 7.215
286 HB3 ARG 37 HB3 ARG 37 18.099 10.538 6.298
287 HG2 ARG 37 HG2 ARG 37 19.633 10.683 7.997
288 HG3 ARG 37 HG3 ARG 37 18.435 10.352 9.250
289 HD2 ARG 37 HD2 ARG 37 19.148 8.246 9.262
290 HD3 ARG 37 HD3 ARG 37 18.458 8.070 7.650
291 HE ARG 37 HE ARG 37 21.249 8.322 8.331
292 HH11 ARG 37 HH11 ARG 37 18.844 8.624 5.833
293 HH12 ARG 37 HH12 ARG 37 19.979 8.440 4.537
294 HH21 ARG 37 HH21 ARG 37 22.753 8.079 6.634
295 HH22 ARG 37 HH22 ARG 37 22.202 8.129 4.994
296 H VAL 38 H VAL 38 18.770 13.104 8.077
297 HA VAL 38 HA VAL 38 18.314 14.719 5.656
298 HB VAL 38 HB VAL 38 19.166 15.783 8.353
299 HG11 VAL 38 HG11 VAL 38 19.162 17.955 7.353
300 HG12 VAL 38 HG12 VAL 38 20.176 16.905 6.360
301 HG13 VAL 38 HG13 VAL 38 18.542 17.313 5.833
302 HG21 VAL 38 HG21 VAL 38 16.626 16.407 6.869
303 HG22 VAL 38 HG22 VAL 38 16.734 15.116 8.066
304 HG23 VAL 38 HG23 VAL 38 17.038 16.787 8.541
305 H LYS 39 H LYS 39 20.023 14.836 4.362
306 HA LYS 39 HA LYS 39 22.671 14.188 5.481
307 HB2 LYS 39 HB2 LYS 39 21.890 12.511 3.887
308 HB3 LYS 39 HB3 LYS 39 21.619 13.759 2.678
309 HG2 LYS 39 HG2 LYS 39 23.647 12.706 2.108
310 HG3 LYS 39 HG3 LYS 39 24.082 14.265 2.812
311 HD2 LYS 39 HD2 LYS 39 25.566 12.805 3.839
312 HD3 LYS 39 HD3 LYS 39 24.270 12.943 5.029
313 HE2 LYS 39 HE2 LYS 39 24.840 10.634 4.839
314 HE3 LYS 39 HE3 LYS 39 23.273 10.864 4.064
315 HZ1 LYS 39 HZ1 LYS 39 24.084 10.131 2.151
316 HZ2 LYS 39 HZ2 LYS 39 25.503 9.693 2.961
317 HZ3 LYS 39 HZ3 LYS 39 25.393 11.201 2.203
318 H VAL 40 H VAL 40 24.103 15.782 5.502
319 HA VAL 40 HA VAL 40 23.699 18.059 3.674
320 HB VAL 40 HB VAL 40 25.069 18.033 6.367
321 HG11 VAL 40 HG11 VAL 40 24.963 20.557 6.010
322 HG12 VAL 40 HG12 VAL 40 26.174 19.663 5.089
323 HG13 VAL 40 HG13 VAL 40 24.680 20.186 4.310
324 HG21 VAL 40 HG21 VAL 40 22.315 18.408 5.571
325 HG22 VAL 40 HG22 VAL 40 23.008 18.250 7.185
326 HG23 VAL 40 HG23 VAL 40 22.948 19.829 6.401
327 H SER 41 H SER 41 25.249 18.530 2.249
328 HA SER 41 HA SER 41 27.817 17.109 2.493
329 HB2 SER 41 HB2 SER 41 26.369 16.551 0.508
330 HB3 SER 41 HB3 SER 41 26.586 18.213 -0.040
331 HG SER 41 HG SER 41 28.236 16.117 -0.322
332 H LEU 42 H LEU 42 29.259 18.455 3.374
333 HA LEU 42 HA LEU 42 29.178 21.280 3.103
334 HB2 LEU 42 HB2 LEU 42 30.184 20.060 5.016
335 HB3 LEU 42 HB3 LEU 42 31.492 19.546 3.953
336 HG LEU 42 HG LEU 42 30.951 22.462 4.325
337 HD11 LEU 42 HD11 LEU 42 31.089 21.235 6.571
338 HD12 LEU 42 HD12 LEU 42 32.171 22.602 6.306
339 HD13 LEU 42 HD13 LEU 42 32.780 20.953 6.159
340 HD21 LEU 42 HD21 LEU 42 33.685 21.794 4.301
341 HD22 LEU 42 HD22 LEU 42 32.747 22.577 3.029
342 HD23 LEU 42 HD23 LEU 42 32.915 20.821 3.048
343 H SER 43 H SER 43 30.740 18.719 1.329
344 HA SER 43 HA SER 43 32.630 20.347 -0.040
345 HB2 SER 43 HB2 SER 43 32.496 17.729 0.254
346 HB3 SER 43 HB3 SER 43 31.570 17.819 -1.244
347 HG SER 43 HG SER 43 34.144 18.958 -0.883
348 H ASN 44 H ASN 44 29.289 19.499 -0.579
349 HA ASN 44 HA ASN 44 29.326 20.816 -3.199
350 HB2 ASN 44 HB2 ASN 44 27.985 18.540 -2.229
351 HB3 ASN 44 HB3 ASN 44 26.743 19.769 -2.448
352 HD21 ASN 44 HD21 ASN 44 27.425 17.257 -3.913
353 HD22 ASN 44 HD22 ASN 44 27.551 17.736 -5.569
354 H GLN 45 H GLN 45 28.910 21.650 -0.064
355 HA GLN 45 HA GLN 45 27.847 23.328 1.059
356 HB2 GLN 45 HB2 GLN 45 27.975 24.589 -1.686
357 HB3 GLN 45 HB3 GLN 45 27.644 25.456 -0.192
358 HG2 GLN 45 HG2 GLN 45 29.897 24.546 0.611
359 HG3 GLN 45 HG3 GLN 45 30.192 24.163 -1.084
360 HE21 GLN 45 HE21 GLN 45 30.628 26.430 1.253
361 HE22 GLN 45 HE22 GLN 45 30.873 27.824 0.263
362 H GLU 46 H GLU 46 26.115 21.299 0.207
363 HA GLU 46 HA GLU 46 23.641 22.844 -0.158
364 HB2 GLU 46 HB2 GLU 46 22.807 21.451 -1.797
365 HB3 GLU 46 HB3 GLU 46 24.514 21.481 -2.217
366 HG2 GLU 46 HG2 GLU 46 24.587 19.371 -0.643
367 HG3 GLU 46 HG3 GLU 46 22.879 19.287 -1.069
368 H ALA 47 H ALA 47 21.692 21.635 0.560
369 HA ALA 47 HA ALA 47 22.311 19.734 2.723
370 HB1 ALA 47 HB1 ALA 47 21.855 21.604 3.982
371 HB2 ALA 47 HB2 ALA 47 20.683 22.232 2.822
372 HB3 ALA 47 HB3 ALA 47 20.254 20.873 3.861
373 H VAL 48 H VAL 48 21.231 17.884 2.573
374 HA VAL 48 HA VAL 48 18.854 17.788 0.840
375 HB VAL 48 HB VAL 48 20.560 15.448 1.687
376 HG11 VAL 48 HG11 VAL 48 19.402 14.763 -0.656
377 HG12 VAL 48 HG12 VAL 48 18.718 14.396 0.928
378 HG13 VAL 48 HG13 VAL 48 18.156 15.806 0.029
379 HG21 VAL 48 HG21 VAL 48 20.859 17.374 -0.566
380 HG22 VAL 48 HG22 VAL 48 22.095 16.585 0.415
381 HG23 VAL 48 HG23 VAL 48 21.252 15.677 -0.840
382 H ILE 49 H ILE 49 16.933 17.258 1.672
383 HA ILE 49 HA ILE 49 16.863 16.140 4.399
384 HB ILE 49 HB ILE 49 14.928 18.127 3.202
385 HG12 ILE 49 HG12 ILE 49 16.056 19.102 5.585
386 HG13 ILE 49 HG13 ILE 49 17.401 18.439 4.663
387 HG21 ILE 49 HG21 ILE 49 14.354 18.073 5.833
388 HG22 ILE 49 HG22 ILE 49 13.520 17.094 4.627
389 HG23 ILE 49 HG23 ILE 49 14.827 16.393 5.581
390 HD11 ILE 49 HD11 ILE 49 17.133 19.946 2.944
391 HD12 ILE 49 HD12 ILE 49 15.444 20.261 3.343
392 HD13 ILE 49 HD13 ILE 49 16.727 20.916 4.360
393 H THR 50 H THR 50 16.069 14.153 4.394
394 HA THR 50 HA THR 50 14.254 13.327 2.250
395 HB THR 50 HB THR 50 15.643 11.616 4.321
396 HG1 THR 50 HG1 THR 50 17.126 12.580 2.869
397 HG21 THR 50 HG21 THR 50 15.026 10.122 2.044
398 HG22 THR 50 HG22 THR 50 13.580 11.077 2.372
399 HG23 THR 50 HG23 THR 50 14.245 10.024 3.621
400 H TYR 51 H TYR 51 12.142 13.222 2.598
401 HA TYR 51 HA TYR 51 11.165 12.603 5.296
402 HB2 TYR 51 HB2 TYR 51 9.688 14.400 5.382
403 HB3 TYR 51 HB3 TYR 51 11.118 15.126 4.656
404 HD1 TYR 51 HD1 TYR 51 11.102 14.767 1.935
405 HD2 TYR 51 HD2 TYR 51 7.692 15.069 4.462
406 HE1 TYR 51 HE1 TYR 51 9.755 15.514 0.018
407 HE2 TYR 51 HE2 TYR 51 6.335 15.815 2.551
408 HH TYR 51 HH TYR 51 7.150 15.418 -0.548
409 H GLN 52 H GLN 52 8.656 12.280 5.146
410 HA GLN 52 HA GLN 52 8.086 10.703 2.723
411 HB2 GLN 52 HB2 GLN 52 8.451 9.636 5.196
412 HB3 GLN 52 HB3 GLN 52 6.715 9.913 5.213
413 HG2 GLN 52 HG2 GLN 52 6.325 8.430 3.488
414 HG3 GLN 52 HG3 GLN 52 7.982 8.529 2.893
415 HE21 GLN 52 HE21 GLN 52 9.655 7.565 4.246
416 HE22 GLN 52 HE22 GLN 52 9.269 6.160 5.175
417 HA PRO 53 HA PRO 53 4.547 13.303 2.296
418 HB2 PRO 53 HB2 PRO 53 3.164 11.770 0.532
419 HB3 PRO 53 HB3 PRO 53 4.585 12.717 0.075
420 HG2 PRO 53 HG2 PRO 53 4.377 9.798 0.705
421 HG3 PRO 53 HG3 PRO 53 5.275 10.600 -0.596
422 HD2 PRO 53 HD2 PRO 53 6.466 9.734 1.677
423 HD3 PRO 53 HD3 PRO 53 7.026 11.168 0.791
424 H TYR 54 H TYR 54 4.359 9.975 3.310
425 HA TYR 54 HA TYR 54 1.559 10.071 3.976
426 HB2 TYR 54 HB2 TYR 54 2.281 7.916 3.425
427 HB3 TYR 54 HB3 TYR 54 3.759 8.064 4.369
428 HD1 TYR 54 HD2 TYR 54 3.706 7.795 6.811
429 HD2 TYR 54 HD1 TYR 54 0.215 7.227 4.446
430 HE1 TYR 54 HE2 TYR 54 2.623 6.643 8.696
431 HE2 TYR 54 HE1 TYR 54 -0.877 6.075 6.324
432 HH TYR 54 HH TYR 54 0.861 5.181 9.193
433 H LEU 55 H LEU 55 4.431 11.112 5.439
434 HA LEU 55 HA LEU 55 3.198 11.107 8.110
435 HB2 LEU 55 HB2 LEU 55 6.072 11.719 7.485
436 HB3 LEU 55 HB3 LEU 55 5.360 11.304 9.043
437 HG LEU 55 HG LEU 55 5.381 9.326 6.790
438 HD11 LEU 55 HD11 LEU 55 7.573 9.547 8.833
439 HD12 LEU 55 HD12 LEU 55 7.697 10.257 7.224
440 HD13 LEU 55 HD13 LEU 55 7.502 8.514 7.405
441 HD21 LEU 55 HD21 LEU 55 3.986 8.898 8.770
442 HD22 LEU 55 HD22 LEU 55 5.419 9.022 9.791
443 HD23 LEU 55 HD23 LEU 55 5.291 7.723 8.605
444 H ILE 56 H ILE 56 5.524 13.210 6.413
445 HA ILE 56 HA ILE 56 3.852 15.515 7.167
446 HB ILE 56 HB ILE 56 5.903 15.323 8.590
447 HG12 ILE 56 HG12 ILE 56 5.771 17.731 6.760
448 HG13 ILE 56 HG13 ILE 56 4.789 17.482 8.200
449 HG21 ILE 56 HG21 ILE 56 7.994 15.221 7.759
450 HG22 ILE 56 HG22 ILE 56 7.179 14.598 6.325
451 HG23 ILE 56 HG23 ILE 56 7.627 16.302 6.415
452 HD11 ILE 56 HD11 ILE 56 7.665 18.187 7.962
453 HD12 ILE 56 HD12 ILE 56 6.417 18.859 9.012
454 HD13 ILE 56 HD13 ILE 56 7.119 17.282 9.373
455 H GLN 57 H GLN 57 4.056 17.382 5.794
456 HA GLN 57 HA GLN 57 4.434 16.632 3.018
457 HB2 GLN 57 HB2 GLN 57 2.987 18.716 4.482
458 HB3 GLN 57 HB3 GLN 57 3.760 19.299 3.014
459 HG2 GLN 57 HG2 GLN 57 2.629 17.504 1.750
460 HG3 GLN 57 HG3 GLN 57 1.793 17.033 3.229
461 HE21 GLN 57 HE21 GLN 57 0.373 18.598 4.211
462 HE22 GLN 57 HE22 GLN 57 -0.431 19.763 3.221
463 HA PRO 58 HA PRO 58 8.267 18.614 2.235
464 HB2 PRO 58 HB2 PRO 58 7.830 19.997 -0.059
465 HB3 PRO 58 HB3 PRO 58 7.936 18.233 -0.006
466 HG2 PRO 58 HG2 PRO 58 5.508 19.983 -0.079
467 HG3 PRO 58 HG3 PRO 58 5.834 18.484 -0.968
468 HD2 PRO 58 HD2 PRO 58 4.288 18.553 1.254
469 HD3 PRO 58 HD3 PRO 58 5.291 17.150 0.831
470 H GLU 59 H GLU 59 5.566 20.886 1.736
471 HA GLU 59 HA GLU 59 7.050 23.240 2.101
472 HB2 GLU 59 HB2 GLU 59 4.149 22.538 2.249
473 HB3 GLU 59 HB3 GLU 59 4.670 24.111 2.836
474 HG2 GLU 59 HG2 GLU 59 5.361 24.811 0.739
475 HG3 GLU 59 HG3 GLU 59 5.477 23.165 0.120
476 H ASP 60 H ASP 60 5.415 21.121 4.383
477 HA ASP 60 HA ASP 60 5.657 22.818 6.641
478 HB2 ASP 60 HB2 ASP 60 4.581 20.246 6.074
479 HB3 ASP 60 HB3 ASP 60 5.675 20.076 7.444
480 H LEU 61 H LEU 61 7.652 20.177 5.378
481 HA LEU 61 HA LEU 61 9.536 20.209 7.497
482 HB2 LEU 61 HB2 LEU 61 10.558 18.528 6.395
483 HB3 LEU 61 HB3 LEU 61 9.027 18.492 5.521
484 HG LEU 61 HG LEU 61 10.293 20.141 3.902
485 HD11 LEU 61 HD11 LEU 61 12.384 19.171 5.671
486 HD12 LEU 61 HD12 LEU 61 12.409 20.490 4.502
487 HD13 LEU 61 HD13 LEU 61 12.718 18.837 3.972
488 HD21 LEU 61 HD21 LEU 61 11.291 17.411 3.520
489 HD22 LEU 61 HD22 LEU 61 10.282 18.411 2.474
490 HD23 LEU 61 HD23 LEU 61 9.556 17.524 3.815
491 H ARG 62 H ARG 62 9.168 22.060 4.578
492 HA ARG 62 HA ARG 62 11.770 23.011 4.240
493 HB2 ARG 62 HB2 ARG 62 10.124 23.396 2.536
494 HB3 ARG 62 HB3 ARG 62 9.106 24.301 3.648
495 HG2 ARG 62 HG2 ARG 62 10.205 25.831 2.171
496 HG3 ARG 62 HG3 ARG 62 10.872 26.027 3.793
497 HD2 ARG 62 HD2 ARG 62 12.272 24.070 2.111
498 HD3 ARG 62 HD3 ARG 62 12.350 25.732 1.529
499 HE ARG 62 HE ARG 62 13.621 24.650 3.873
500 HH11 ARG 62 HH11 ARG 62 12.449 27.532 2.310
501 HH12 ARG 62 HH12 ARG 62 13.492 28.594 3.196
502 HH21 ARG 62 HH21 ARG 62 15.000 26.038 5.046
503 HH22 ARG 62 HH22 ARG 62 14.944 27.743 4.752
504 H ASP 63 H ASP 63 9.130 24.223 6.261
505 HA ASP 63 HA ASP 63 10.460 26.544 7.170
506 HB2 ASP 63 HB2 ASP 63 8.123 26.523 7.462
507 HB3 ASP 63 HB3 ASP 63 8.147 24.937 8.228
508 H HIS 64 H HIS 64 10.573 23.208 8.147
509 HA HIS 64 HA HIS 64 11.718 23.604 10.714
510 HB2 HIS 64 HB2 HIS 64 10.672 21.458 9.457
511 HB3 HIS 64 HB3 HIS 64 12.387 21.126 9.232
512 HD1 HIS 64 HD1 HIS 64 13.571 21.911 11.880
513 HD2 HIS 64 HD2 HIS 64 9.949 19.903 11.546
514 HE1 HIS 64 HE1 HIS 64 13.232 20.763 14.092
515 H VAL 65 H VAL 65 13.065 23.160 7.487
516 HA VAL 65 HA VAL 65 15.755 22.824 8.219
517 HB VAL 65 HB VAL 65 14.727 24.139 5.702
518 HG11 VAL 65 HG11 VAL 65 17.197 24.287 6.291
519 HG12 VAL 65 HG12 VAL 65 17.248 22.540 6.046
520 HG13 VAL 65 HG13 VAL 65 16.794 23.606 4.716
521 HG21 VAL 65 HG21 VAL 65 15.173 21.221 6.320
522 HG22 VAL 65 HG22 VAL 65 13.625 22.005 6.005
523 HG23 VAL 65 HG23 VAL 65 14.826 21.876 4.720
524 H ASN 66 H ASN 66 13.919 25.752 7.398
525 HA ASN 66 HA ASN 66 16.077 27.550 7.647
526 HB2 ASN 66 HB2 ASN 66 14.225 28.387 6.479
527 HB3 ASN 66 HB3 ASN 66 13.089 27.863 7.719
528 HD21 ASN 66 HD21 ASN 66 12.437 29.300 9.165
529 HD22 ASN 66 HD22 ASN 66 13.147 30.853 9.428
530 H ASP 67 H ASP 67 14.052 25.996 9.973
531 HA ASP 67 HA ASP 67 14.222 27.755 12.128
532 HB2 ASP 67 HB2 ASP 67 12.892 25.545 11.880
533 HB3 ASP 67 HB3 ASP 67 14.353 24.773 12.490
534 H MET 68 H MET 68 16.627 25.744 10.693
535 HA MET 68 HA MET 68 18.374 25.554 12.928
536 HB2 MET 68 HB2 MET 68 18.814 25.246 9.960
537 HB3 MET 68 HB3 MET 68 20.099 25.021 11.140
538 HG2 MET 68 HG2 MET 68 17.532 23.455 11.024
539 HG3 MET 68 HG3 MET 68 19.103 22.904 10.449
540 HE1 MET 68 HE1 MET 68 21.261 22.427 13.328
541 HE2 MET 68 HE2 MET 68 21.107 23.516 11.949
542 HE3 MET 68 HE3 MET 68 20.874 24.129 13.587
543 H GLY 69 H GLY 69 17.527 28.126 10.906
544 HA2 GLY 69 HA2 GLY 69 18.216 30.347 11.183
545 HA3 GLY 69 HA3 GLY 69 19.610 29.778 12.089
546 H PHE 70 H PHE 70 19.132 28.102 9.182
547 HA PHE 70 HA PHE 70 21.471 29.395 8.033
548 HB2 PHE 70 HB2 PHE 70 20.009 26.833 7.547
549 HB3 PHE 70 HB3 PHE 70 21.010 27.494 6.258
550 HD1 PHE 70 HD2 PHE 70 23.417 27.620 6.491
551 HD2 PHE 70 HD1 PHE 70 20.988 25.984 9.579
552 HE1 PHE 70 HE2 PHE 70 25.415 26.633 7.534
553 HE2 PHE 70 HE1 PHE 70 22.982 24.995 10.628
554 HZ PHE 70 HZ PHE 70 25.199 25.320 9.606
555 H GLU 71 H GLU 71 21.317 29.376 5.452
556 HA GLU 71 HA GLU 71 18.985 31.050 4.816
557 HB2 GLU 71 HB2 GLU 71 21.612 31.682 4.576
558 HB3 GLU 71 HB3 GLU 71 21.291 31.039 2.971
559 HG2 GLU 71 HG2 GLU 71 20.937 33.358 2.836
560 HG3 GLU 71 HG3 GLU 71 19.338 32.618 2.850
561 H ALA 72 H ALA 72 19.796 27.970 4.536
562 HA ALA 72 HA ALA 72 19.776 27.123 1.955
563 HB1 ALA 72 HB1 ALA 72 19.792 25.277 3.223
564 HB2 ALA 72 HB2 ALA 72 18.815 26.021 4.490
565 HB3 ALA 72 HB3 ALA 72 18.037 25.338 3.062
566 H ALA 73 H ALA 73 18.363 26.957 0.288
567 HA ALA 73 HA ALA 73 15.572 27.749 0.725
568 HB1 ALA 73 HB1 ALA 73 15.582 29.490 -0.724
569 HB2 ALA 73 HB2 ALA 73 17.268 29.583 -0.213
570 HB3 ALA 73 HB3 ALA 73 16.849 28.790 -1.732
571 H ILE 74 H ILE 74 14.099 26.974 -0.847
572 HA ILE 74 HA ILE 74 14.567 24.389 -1.771
573 HB ILE 74 HB ILE 74 12.525 26.329 -2.859
574 HG12 ILE 74 HG12 ILE 74 12.343 24.407 -0.529
575 HG13 ILE 74 HG13 ILE 74 12.387 26.163 -0.416
576 HG21 ILE 74 HG21 ILE 74 11.831 24.666 -4.151
577 HG22 ILE 74 HG22 ILE 74 13.178 23.679 -3.587
578 HG23 ILE 74 HG23 ILE 74 11.632 23.627 -2.740
579 HD11 ILE 74 HD11 ILE 74 10.273 26.075 -1.889
580 HD12 ILE 74 HD12 ILE 74 10.190 24.388 -1.380
581 HD13 ILE 74 HD13 ILE 74 10.146 25.676 -0.176
582 H LYS 75 H LYS 75 15.705 23.640 -3.422
583 HA LYS 75 HA LYS 75 17.178 25.146 -5.194
584 HB2 LYS 75 HB2 LYS 75 17.588 23.138 -6.412
585 HB3 LYS 75 HB3 LYS 75 17.426 22.686 -4.720
586 HG2 LYS 75 HG2 LYS 75 15.184 21.891 -5.099
587 HG3 LYS 75 HG3 LYS 75 15.233 22.457 -6.771
588 HD2 LYS 75 HD2 LYS 75 17.492 20.833 -6.457
589 HD3 LYS 75 HD3 LYS 75 16.176 19.977 -5.649
590 HE2 LYS 75 HE2 LYS 75 14.817 20.468 -7.765
591 HE3 LYS 75 HE3 LYS 75 16.364 20.866 -8.511
592 HZ1 LYS 75 HZ1 LYS 75 15.672 18.546 -8.876
593 HZ2 LYS 75 HZ2 LYS 75 15.746 18.270 -7.209
594 HZ3 LYS 75 HZ3 LYS 75 17.152 18.661 -8.065
595 H SER 76 H SER 76 13.857 24.070 -5.463
596 HA SER 76 HA SER 76 13.667 25.193 -8.163
597 HB2 SER 76 HB2 SER 76 12.709 22.867 -7.391
598 HB3 SER 76 HB3 SER 76 11.372 23.845 -6.787
599 HG SER 76 HG SER 76 11.482 22.979 -9.136
Start of MODEL 18
1 H1 ALA 1 H ALA 1 12.020 6.379 -11.601
2 HA ALA 1 HA ALA 1 10.195 4.161 -11.729
3 HB1 ALA 1 HB1 ALA 1 13.125 3.708 -11.361
4 HB2 ALA 1 HB2 ALA 1 11.961 2.655 -10.557
5 HB3 ALA 1 HB3 ALA 1 11.958 2.791 -12.315
6 H GLY 2 H GLY 2 9.655 3.319 -9.595
7 HA2 GLY 2 HA2 GLY 2 9.406 5.375 -7.674
8 HA3 GLY 2 HA3 GLY 2 9.014 3.681 -7.420
9 H HIS 3 H HIS 3 10.090 5.216 -5.396
10 HA HIS 3 HA HIS 3 12.770 4.025 -5.127
11 HB2 HIS 3 HB2 HIS 3 11.845 6.805 -4.526
12 HB3 HIS 3 HB3 HIS 3 13.105 6.093 -3.523
13 HD1 HIS 3 HD1 HIS 3 13.902 8.486 -5.115
14 HD2 HIS 3 HD2 HIS 3 14.123 4.630 -6.646
15 HE1 HIS 3 HE1 HIS 3 15.592 8.597 -6.974
16 H MET 4 H MET 4 10.611 5.809 -2.931
17 HA MET 4 HA MET 4 10.103 3.415 -1.378
18 HB2 MET 4 HB2 MET 4 10.908 4.530 0.735
19 HB3 MET 4 HB3 MET 4 12.175 4.022 -0.373
20 HG2 MET 4 HG2 MET 4 12.214 6.381 -1.239
21 HG3 MET 4 HG3 MET 4 11.155 6.805 0.105
22 HE1 MET 4 HE1 MET 4 14.954 5.325 -0.632
23 HE2 MET 4 HE2 MET 4 14.353 6.867 -1.242
24 HE3 MET 4 HE3 MET 4 15.542 6.837 0.061
25 H GLN 5 H GLN 5 8.924 4.265 0.794
26 HA GLN 5 HA GLN 5 6.594 5.648 -0.187
27 HB2 GLN 5 HB2 GLN 5 7.285 4.422 2.481
28 HB3 GLN 5 HB3 GLN 5 5.765 5.253 2.177
29 HG2 GLN 5 HG2 GLN 5 5.387 3.637 0.288
30 HG3 GLN 5 HG3 GLN 5 6.778 2.737 0.887
31 HE21 GLN 5 HE21 GLN 5 4.237 1.639 0.695
32 HE22 GLN 5 HE22 GLN 5 3.647 1.312 2.285
33 H GLU 6 H GLU 6 9.469 6.510 1.420
34 HA GLU 6 HA GLU 6 8.312 8.936 2.568
35 HB2 GLU 6 HB2 GLU 6 11.213 8.145 2.683
36 HB3 GLU 6 HB3 GLU 6 10.325 9.204 3.770
37 HG2 GLU 6 HG2 GLU 6 9.081 7.306 4.634
38 HG3 GLU 6 HG3 GLU 6 9.920 6.232 3.516
39 H ALA 7 H ALA 7 8.769 10.978 1.866
40 HA ALA 7 HA ALA 7 10.129 11.163 -0.734
41 HB1 ALA 7 HB1 ALA 7 8.262 12.229 -1.314
42 HB2 ALA 7 HB2 ALA 7 7.731 12.368 0.363
43 HB3 ALA 7 HB3 ALA 7 8.829 13.569 -0.317
44 H VAL 8 H VAL 8 11.765 12.618 -1.087
45 HA VAL 8 HA VAL 8 12.745 14.089 1.273
46 HB VAL 8 HB VAL 8 14.512 12.912 -0.870
47 HG11 VAL 8 HG11 VAL 8 16.308 13.370 0.679
48 HG12 VAL 8 HG12 VAL 8 15.388 14.848 0.391
49 HG13 VAL 8 HG13 VAL 8 15.161 13.944 1.889
50 HG21 VAL 8 HG21 VAL 8 13.899 10.942 0.059
51 HG22 VAL 8 HG22 VAL 8 15.077 11.414 1.283
52 HG23 VAL 8 HG23 VAL 8 13.358 11.691 1.561
53 H VAL 9 H VAL 9 13.542 16.142 0.959
54 HA VAL 9 HA VAL 9 13.280 17.241 -1.765
55 HB VAL 9 HB VAL 9 12.610 18.658 0.819
56 HG11 VAL 9 HG11 VAL 9 13.222 19.623 -1.822
57 HG12 VAL 9 HG12 VAL 9 11.566 20.040 -1.377
58 HG13 VAL 9 HG13 VAL 9 12.908 20.530 -0.342
59 HG21 VAL 9 HG21 VAL 9 10.733 17.830 -1.386
60 HG22 VAL 9 HG22 VAL 9 10.994 16.883 0.078
61 HG23 VAL 9 HG23 VAL 9 10.319 18.508 0.189
62 H LYS 10 H LYS 10 14.951 18.400 -2.520
63 HA LYS 10 HA LYS 10 17.188 18.908 -0.676
64 HB2 LYS 10 HB2 LYS 10 18.638 18.848 -2.658
65 HB3 LYS 10 HB3 LYS 10 17.733 17.351 -2.475
66 HG2 LYS 10 HG2 LYS 10 16.068 18.718 -4.091
67 HG3 LYS 10 HG3 LYS 10 17.622 19.387 -4.595
68 HD2 LYS 10 HD2 LYS 10 18.466 17.103 -4.952
69 HD3 LYS 10 HD3 LYS 10 16.888 16.460 -4.492
70 HE2 LYS 10 HE2 LYS 10 17.024 18.491 -6.665
71 HE3 LYS 10 HE3 LYS 10 17.539 16.843 -7.021
72 HZ1 LYS 10 HZ1 LYS 10 15.268 16.295 -5.853
73 HZ2 LYS 10 HZ2 LYS 10 15.337 16.683 -7.497
74 HZ3 LYS 10 HZ3 LYS 10 14.873 17.857 -6.371
75 H LEU 11 H LEU 11 17.854 20.936 -0.332
76 HA LEU 11 HA LEU 11 16.850 23.049 -2.123
77 HB2 LEU 11 HB2 LEU 11 17.291 23.399 0.829
78 HB3 LEU 11 HB3 LEU 11 16.464 24.487 -0.284
79 HG LEU 11 HG LEU 11 15.384 21.750 0.310
80 HD11 LEU 11 HD11 LEU 11 15.824 23.282 2.381
81 HD12 LEU 11 HD12 LEU 11 14.282 22.447 2.200
82 HD13 LEU 11 HD13 LEU 11 14.414 24.155 1.782
83 HD21 LEU 11 HD21 LEU 11 14.056 24.325 -0.529
84 HD22 LEU 11 HD22 LEU 11 13.290 22.744 -0.372
85 HD23 LEU 11 HD23 LEU 11 14.507 23.015 -1.620
86 H ARG 12 H ARG 12 18.128 25.145 -1.791
87 HA ARG 12 HA ARG 12 20.981 24.451 -1.795
88 HB2 ARG 12 HB2 ARG 12 19.333 26.136 -3.447
89 HB3 ARG 12 HB3 ARG 12 20.630 27.084 -2.734
90 HG2 ARG 12 HG2 ARG 12 20.983 24.545 -4.314
91 HG3 ARG 12 HG3 ARG 12 21.249 26.182 -4.916
92 HD2 ARG 12 HD2 ARG 12 22.688 25.702 -2.452
93 HD3 ARG 12 HD3 ARG 12 23.116 24.524 -3.692
94 HE ARG 12 HE ARG 12 23.121 27.257 -4.603
95 HH11 ARG 12 HH11 ARG 12 24.978 24.704 -3.135
96 HH12 ARG 12 HH12 ARG 12 26.507 25.364 -3.613
97 HH21 ARG 12 HH21 ARG 12 25.128 28.136 -5.238
98 HH22 ARG 12 HH22 ARG 12 26.591 27.316 -4.808
99 H VAL 13 H VAL 13 22.197 25.045 -0.134
100 HA VAL 13 HA VAL 13 21.153 26.999 1.773
101 HB VAL 13 HB VAL 13 23.662 25.381 2.135
102 HG11 VAL 13 HG11 VAL 13 21.990 25.826 4.449
103 HG12 VAL 13 HG12 VAL 13 23.684 26.247 4.186
104 HG13 VAL 13 HG13 VAL 13 22.409 27.344 3.656
105 HG21 VAL 13 HG21 VAL 13 21.764 24.017 3.543
106 HG22 VAL 13 HG22 VAL 13 20.886 24.448 2.076
107 HG23 VAL 13 HG23 VAL 13 22.392 23.538 1.967
108 H GLU 14 H GLU 14 22.181 28.884 2.303
109 HA GLU 14 HA GLU 14 24.352 29.701 0.500
110 HB2 GLU 14 HB2 GLU 14 22.024 30.950 0.855
111 HB3 GLU 14 HB3 GLU 14 22.906 31.681 2.188
112 HG2 GLU 14 HG2 GLU 14 24.715 32.196 0.443
113 HG3 GLU 14 HG3 GLU 14 23.462 31.849 -0.747
114 H GLY 15 H GLY 15 23.846 28.659 3.617
115 HA2 GLY 15 HA2 GLY 15 26.217 30.130 4.593
116 HA3 GLY 15 HA3 GLY 15 24.902 29.610 5.637
117 H MET 16 H MET 16 25.398 27.238 3.379
118 HA MET 16 HA MET 16 26.376 25.379 5.253
119 HB2 MET 16 HB2 MET 16 25.628 25.382 2.428
120 HB3 MET 16 HB3 MET 16 26.940 24.268 2.786
121 HG2 MET 16 HG2 MET 16 24.287 24.327 4.205
122 HG3 MET 16 HG3 MET 16 24.724 23.217 2.908
123 HE1 MET 16 HE1 MET 16 25.554 23.901 6.965
124 HE2 MET 16 HE2 MET 16 24.009 23.603 6.168
125 HE3 MET 16 HE3 MET 16 24.803 22.308 7.065
126 H THR 17 H THR 17 27.978 27.726 3.406
127 HA THR 17 HA THR 17 30.433 26.523 2.846
128 HB THR 17 HB THR 17 30.226 29.398 3.706
129 HG1 THR 17 HG1 THR 17 29.597 28.472 1.096
130 HG21 THR 17 HG21 THR 17 31.855 27.948 1.616
131 HG22 THR 17 HG22 THR 17 32.444 28.608 3.142
132 HG23 THR 17 HG23 THR 17 31.870 29.692 1.876
133 H CYS 18 H CYS 18 29.044 27.393 5.847
134 HA CYS 18 HA CYS 18 31.256 27.988 7.416
135 HB2 CYS 18 HB2 CYS 18 28.568 27.596 7.872
136 HB3 CYS 18 HB3 CYS 18 29.302 26.260 8.751
137 HG CYS 18 HG CYS 18 28.714 28.897 10.126
138 H GLN 19 H GLN 19 31.846 26.357 9.328
139 HA GLN 19 HA GLN 19 33.609 24.500 8.313
140 HB2 GLN 19 HB2 GLN 19 32.368 24.950 10.976
141 HB3 GLN 19 HB3 GLN 19 33.184 23.414 10.721
142 HG2 GLN 19 HG2 GLN 19 34.886 24.677 11.568
143 HG3 GLN 19 HG3 GLN 19 35.123 24.918 9.838
144 HE21 GLN 19 HE21 GLN 19 35.369 26.928 9.193
145 HE22 GLN 19 HE22 GLN 19 34.847 28.342 10.039
146 H SER 20 H SER 20 30.809 23.429 10.219
147 HA SER 20 HA SER 20 29.759 21.731 8.202
148 HB2 SER 20 HB2 SER 20 31.706 20.575 10.159
149 HB3 SER 20 HB3 SER 20 30.327 19.600 9.651
150 HG SER 20 HG SER 20 31.945 19.180 8.216
151 H CYS 21 H CYS 21 28.267 23.384 9.421
152 HA CYS 21 HA CYS 21 27.284 22.747 11.979
153 HB2 CYS 21 HB2 CYS 21 26.755 24.680 9.980
154 HB3 CYS 21 HB3 CYS 21 25.220 23.906 10.354
155 HG CYS 21 HG CYS 21 25.135 24.596 12.979
156 H VAL 22 H VAL 22 26.915 21.167 9.006
157 HA VAL 22 HA VAL 22 24.370 20.155 8.971
158 HB VAL 22 HB VAL 22 26.896 18.609 8.368
159 HG11 VAL 22 HG11 VAL 22 24.944 17.158 8.612
160 HG12 VAL 22 HG12 VAL 22 24.060 18.145 7.447
161 HG13 VAL 22 HG13 VAL 22 25.479 17.233 6.933
162 HG21 VAL 22 HG21 VAL 22 26.860 20.624 7.077
163 HG22 VAL 22 HG22 VAL 22 26.401 19.292 6.016
164 HG23 VAL 22 HG23 VAL 22 25.166 20.382 6.649
165 H SER 23 H SER 23 27.106 19.012 10.907
166 HA SER 23 HA SER 23 26.042 16.708 11.979
167 HB2 SER 23 HB2 SER 23 28.171 18.557 12.669
168 HB3 SER 23 HB3 SER 23 27.411 17.885 14.111
169 HG SER 23 HG SER 23 28.792 16.327 13.653
170 H SER 24 H SER 24 25.487 20.050 12.953
171 HA SER 24 HA SER 24 23.999 19.446 15.293
172 HB2 SER 24 HB2 SER 24 23.733 21.962 13.645
173 HB3 SER 24 HB3 SER 24 23.474 21.767 15.378
174 HG SER 24 HG SER 24 25.473 22.638 15.190
175 H ILE 25 H ILE 25 23.133 19.978 11.923
176 HA ILE 25 HA ILE 25 20.338 20.113 12.276
177 HB ILE 25 HB ILE 25 21.827 19.113 9.847
178 HG12 ILE 25 HG12 ILE 25 20.834 21.921 10.305
179 HG13 ILE 25 HG13 ILE 25 22.455 21.425 10.779
180 HG21 ILE 25 HG21 ILE 25 19.417 18.609 9.879
181 HG22 ILE 25 HG22 ILE 25 19.078 20.326 10.091
182 HG23 ILE 25 HG23 ILE 25 19.847 19.756 8.610
183 HD11 ILE 25 HD11 ILE 25 23.128 21.901 8.730
184 HD12 ILE 25 HD12 ILE 25 22.132 20.572 8.133
185 HD13 ILE 25 HD13 ILE 25 21.471 22.205 8.211
186 H GLU 26 H GLU 26 22.567 17.454 12.166
187 HA GLU 26 HA GLU 26 20.782 15.383 11.503
188 HB2 GLU 26 HB2 GLU 26 23.502 15.617 12.291
189 HB3 GLU 26 HB3 GLU 26 22.748 14.429 13.346
190 HG2 GLU 26 HG2 GLU 26 21.890 13.287 11.286
191 HG3 GLU 26 HG3 GLU 26 22.900 14.383 10.345
192 H GLY 27 H GLY 27 21.615 16.890 14.582
193 HA2 GLY 27 HA2 GLY 27 20.292 15.056 16.266
194 HA3 GLY 27 HA3 GLY 27 20.671 16.724 16.668
195 H LYS 28 H LYS 28 19.124 17.795 14.422
196 HA LYS 28 HA LYS 28 16.681 18.213 15.709
197 HB2 LYS 28 HB2 LYS 28 17.801 18.802 13.031
198 HB3 LYS 28 HB3 LYS 28 16.047 18.811 13.154
199 HG2 LYS 28 HG2 LYS 28 17.910 20.428 14.881
200 HG3 LYS 28 HG3 LYS 28 17.036 21.035 13.473
201 HD2 LYS 28 HD2 LYS 28 14.935 20.151 14.715
202 HD3 LYS 28 HD3 LYS 28 15.975 20.185 16.141
203 HE2 LYS 28 HE2 LYS 28 15.591 22.553 14.322
204 HE3 LYS 28 HE3 LYS 28 14.584 22.253 15.738
205 HZ1 LYS 28 HZ1 LYS 28 16.316 22.659 17.168
206 HZ2 LYS 28 HZ2 LYS 28 16.657 23.764 15.934
207 HZ3 LYS 28 HZ3 LYS 28 17.510 22.306 16.023
208 H VAL 29 H VAL 29 17.611 15.892 13.227
209 HA VAL 29 HA VAL 29 15.147 14.941 12.429
210 HB VAL 29 HB VAL 29 17.738 13.449 12.821
211 HG11 VAL 29 HG11 VAL 29 15.929 11.843 12.948
212 HG12 VAL 29 HG12 VAL 29 15.208 12.503 11.479
213 HG13 VAL 29 HG13 VAL 29 16.768 11.683 11.405
214 HG21 VAL 29 HG21 VAL 29 16.455 14.172 10.214
215 HG22 VAL 29 HG22 VAL 29 17.425 15.352 11.096
216 HG23 VAL 29 HG23 VAL 29 18.150 13.834 10.567
217 H ARG 30 H ARG 30 17.056 13.981 15.259
218 HA ARG 30 HA ARG 30 15.339 11.937 16.149
219 HB2 ARG 30 HB2 ARG 30 17.694 12.322 16.921
220 HB3 ARG 30 HB3 ARG 30 17.108 13.688 17.861
221 HG2 ARG 30 HG2 ARG 30 15.573 12.085 19.040
222 HG3 ARG 30 HG3 ARG 30 16.443 10.781 18.229
223 HD2 ARG 30 HD2 ARG 30 18.431 11.244 19.361
224 HD3 ARG 30 HD3 ARG 30 17.903 12.864 19.813
225 HE ARG 30 HE ARG 30 16.940 11.971 21.677
226 HH11 ARG 30 HH11 ARG 30 17.428 9.429 19.348
227 HH12 ARG 30 HH12 ARG 30 16.926 8.168 20.425
228 HH21 ARG 30 HH21 ARG 30 16.278 10.319 23.104
229 HH22 ARG 30 HH22 ARG 30 16.271 8.675 22.561
230 H LYS 31 H LYS 31 15.158 15.383 16.376
231 HA LYS 31 HA LYS 31 13.087 15.285 18.428
232 HB2 LYS 31 HB2 LYS 31 14.352 17.635 17.006
233 HB3 LYS 31 HB3 LYS 31 13.177 17.755 18.309
234 HG2 LYS 31 HG2 LYS 31 15.664 16.197 18.784
235 HG3 LYS 31 HG3 LYS 31 15.755 17.960 18.764
236 HD2 LYS 31 HD2 LYS 31 13.729 17.829 20.381
237 HD3 LYS 31 HD3 LYS 31 14.252 16.162 20.628
238 HE2 LYS 31 HE2 LYS 31 16.556 17.120 21.110
239 HE3 LYS 31 HE3 LYS 31 15.771 18.696 21.188
240 HZ1 LYS 31 HZ1 LYS 31 14.875 18.240 23.172
241 HZ2 LYS 31 HZ2 LYS 31 16.065 17.043 23.277
242 HZ3 LYS 31 HZ3 LYS 31 14.503 16.639 22.771
243 H LEU 32 H LEU 32 13.379 15.315 15.041
244 HA LEU 32 HA LEU 32 10.894 16.631 14.464
245 HB2 LEU 32 HB2 LEU 32 13.072 15.386 12.964
246 HB3 LEU 32 HB3 LEU 32 11.483 15.134 12.244
247 HG LEU 32 HG LEU 32 12.696 17.083 11.319
248 HD11 LEU 32 HD11 LEU 32 10.030 17.206 12.577
249 HD12 LEU 32 HD12 LEU 32 10.506 17.423 10.893
250 HD13 LEU 32 HD13 LEU 32 10.720 18.740 12.046
251 HD21 LEU 32 HD21 LEU 32 12.235 18.982 13.354
252 HD22 LEU 32 HD22 LEU 32 13.778 18.466 12.673
253 HD23 LEU 32 HD23 LEU 32 13.117 17.641 14.085
254 H GLN 33 H GLN 33 8.915 15.759 14.125
255 HA GLN 33 HA GLN 33 8.506 13.033 15.018
256 HB2 GLN 33 HB2 GLN 33 6.111 13.589 14.896
257 HB3 GLN 33 HB3 GLN 33 7.010 14.765 15.845
258 HG2 GLN 33 HG2 GLN 33 7.064 16.248 13.858
259 HG3 GLN 33 HG3 GLN 33 6.029 15.092 13.021
260 HE21 GLN 33 HE21 GLN 33 4.007 15.724 12.971
261 HE22 GLN 33 HE22 GLN 33 3.165 16.567 14.222
262 H GLY 34 H GLY 34 8.025 14.944 12.075
263 HA2 GLY 34 HA2 GLY 34 7.108 12.582 10.629
264 HA3 GLY 34 HA3 GLY 34 7.171 14.224 10.007
265 H VAL 35 H VAL 35 9.653 15.037 10.149
266 HA VAL 35 HA VAL 35 11.008 14.000 8.048
267 HB VAL 35 HB VAL 35 11.622 15.833 10.100
268 HG11 VAL 35 HG11 VAL 35 12.988 14.079 11.135
269 HG12 VAL 35 HG12 VAL 35 13.889 13.898 9.628
270 HG13 VAL 35 HG13 VAL 35 13.978 15.409 10.534
271 HG21 VAL 35 HG21 VAL 35 11.745 16.035 7.577
272 HG22 VAL 35 HG22 VAL 35 13.056 16.790 8.484
273 HG23 VAL 35 HG23 VAL 35 13.316 15.239 7.686
274 H VAL 36 H VAL 36 12.393 12.354 7.612
275 HA VAL 36 HA VAL 36 12.545 10.218 9.588
276 HB VAL 36 HB VAL 36 13.655 10.057 6.802
277 HG11 VAL 36 HG11 VAL 36 12.475 7.677 7.397
278 HG12 VAL 36 HG12 VAL 36 14.179 8.050 7.660
279 HG13 VAL 36 HG13 VAL 36 13.026 8.207 8.986
280 HG21 VAL 36 HG21 VAL 36 11.417 10.930 6.531
281 HG22 VAL 36 HG22 VAL 36 11.448 9.231 6.060
282 HG23 VAL 36 HG23 VAL 36 10.773 9.701 7.620
283 H ARG 37 H ARG 37 14.757 12.073 7.507
284 HA ARG 37 HA ARG 37 16.770 12.192 9.510
285 HB2 ARG 37 HB2 ARG 37 16.763 9.809 8.091
286 HB3 ARG 37 HB3 ARG 37 17.984 10.774 7.273
287 HG2 ARG 37 HG2 ARG 37 19.390 10.765 9.055
288 HG3 ARG 37 HG3 ARG 37 18.076 10.690 10.231
289 HD2 ARG 37 HD2 ARG 37 18.389 8.338 8.476
290 HD3 ARG 37 HD3 ARG 37 19.682 8.610 9.644
291 HE ARG 37 HE ARG 37 17.062 8.760 10.801
292 HH11 ARG 37 HH11 ARG 37 19.635 6.617 9.849
293 HH12 ARG 37 HH12 ARG 37 19.186 5.371 10.966
294 HH21 ARG 37 HH21 ARG 37 16.461 7.127 12.276
295 HH22 ARG 37 HH22 ARG 37 17.380 5.662 12.345
296 H VAL 38 H VAL 38 18.885 13.064 8.520
297 HA VAL 38 HA VAL 38 18.218 14.858 6.276
298 HB VAL 38 HB VAL 38 18.344 16.080 8.415
299 HG11 VAL 38 HG11 VAL 38 20.307 16.204 9.718
300 HG12 VAL 38 HG12 VAL 38 20.053 14.486 9.402
301 HG13 VAL 38 HG13 VAL 38 21.268 15.381 8.489
302 HG21 VAL 38 HG21 VAL 38 20.746 17.179 7.272
303 HG22 VAL 38 HG22 VAL 38 19.623 16.692 6.002
304 HG23 VAL 38 HG23 VAL 38 19.103 17.820 7.255
305 H LYS 39 H LYS 39 19.552 14.813 4.583
306 HA LYS 39 HA LYS 39 22.119 13.399 4.885
307 HB2 LYS 39 HB2 LYS 39 20.380 12.349 3.393
308 HB3 LYS 39 HB3 LYS 39 20.532 13.749 2.339
309 HG2 LYS 39 HG2 LYS 39 22.162 12.687 1.285
310 HG3 LYS 39 HG3 LYS 39 23.143 12.851 2.744
311 HD2 LYS 39 HD2 LYS 39 23.215 10.592 2.581
312 HD3 LYS 39 HD3 LYS 39 21.675 10.715 3.435
313 HE2 LYS 39 HE2 LYS 39 20.436 10.373 1.475
314 HE3 LYS 39 HE3 LYS 39 21.815 10.733 0.437
315 HZ1 LYS 39 HZ1 LYS 39 20.962 8.246 1.268
316 HZ2 LYS 39 HZ2 LYS 39 22.387 8.535 2.132
317 HZ3 LYS 39 HZ3 LYS 39 22.393 8.608 0.442
318 H VAL 40 H VAL 40 21.303 16.349 5.127
319 HA VAL 40 HA VAL 40 22.196 17.938 3.099
320 HB VAL 40 HB VAL 40 22.610 18.281 6.066
321 HG11 VAL 40 HG11 VAL 40 23.010 20.687 5.523
322 HG12 VAL 40 HG12 VAL 40 24.307 19.601 5.018
323 HG13 VAL 40 HG13 VAL 40 23.162 20.223 3.829
324 HG21 VAL 40 HG21 VAL 40 20.309 18.329 4.663
325 HG22 VAL 40 HG22 VAL 40 20.589 19.288 6.117
326 HG23 VAL 40 HG23 VAL 40 20.794 20.019 4.525
327 H SER 41 H SER 41 24.031 18.152 2.010
328 HA SER 41 HA SER 41 26.503 17.092 3.213
329 HB2 SER 41 HB2 SER 41 25.558 16.013 1.082
330 HB3 SER 41 HB3 SER 41 26.056 17.491 0.258
331 HG SER 41 HG SER 41 27.690 15.920 0.156
332 H LEU 42 H LEU 42 27.615 18.744 4.048
333 HA LEU 42 HA LEU 42 27.477 21.410 3.090
334 HB2 LEU 42 HB2 LEU 42 28.793 21.959 4.860
335 HB3 LEU 42 HB3 LEU 42 28.187 20.401 5.417
336 HG LEU 42 HG LEU 42 30.504 20.490 5.931
337 HD11 LEU 42 HD11 LEU 42 29.412 18.573 4.171
338 HD12 LEU 42 HD12 LEU 42 30.731 18.373 5.324
339 HD13 LEU 42 HD13 LEU 42 31.077 18.860 3.665
340 HD21 LEU 42 HD21 LEU 42 32.072 21.507 4.703
341 HD22 LEU 42 HD22 LEU 42 30.723 22.185 3.791
342 HD23 LEU 42 HD23 LEU 42 31.539 20.732 3.211
343 H SER 43 H SER 43 29.347 18.676 2.188
344 HA SER 43 HA SER 43 31.559 20.083 1.056
345 HB2 SER 43 HB2 SER 43 31.882 17.785 1.680
346 HB3 SER 43 HB3 SER 43 30.535 17.264 0.667
347 HG SER 43 HG SER 43 33.114 17.621 0.001
348 H ASN 44 H ASN 44 28.422 19.058 -0.089
349 HA ASN 44 HA ASN 44 29.080 19.930 -2.810
350 HB2 ASN 44 HB2 ASN 44 27.913 17.687 -2.277
351 HB3 ASN 44 HB3 ASN 44 26.479 18.666 -1.976
352 HD21 ASN 44 HD21 ASN 44 28.627 17.388 -4.341
353 HD22 ASN 44 HD22 ASN 44 27.742 17.898 -5.735
354 H GLN 45 H GLN 45 28.093 21.352 -0.096
355 HA GLN 45 HA GLN 45 26.909 23.219 0.444
356 HB2 GLN 45 HB2 GLN 45 27.243 23.773 -2.509
357 HB3 GLN 45 HB3 GLN 45 26.758 24.958 -1.304
358 HG2 GLN 45 HG2 GLN 45 28.914 24.636 -0.159
359 HG3 GLN 45 HG3 GLN 45 29.397 23.517 -1.433
360 HE21 GLN 45 HE21 GLN 45 29.097 24.488 -3.699
361 HE22 GLN 45 HE22 GLN 45 29.693 26.096 -3.906
362 H GLU 46 H GLU 46 25.360 20.924 -0.040
363 HA GLU 46 HA GLU 46 22.870 22.175 -0.978
364 HB2 GLU 46 HB2 GLU 46 22.299 20.433 -2.348
365 HB3 GLU 46 HB3 GLU 46 24.047 20.372 -2.523
366 HG2 GLU 46 HG2 GLU 46 23.847 18.726 -0.474
367 HG3 GLU 46 HG3 GLU 46 22.214 18.520 -1.105
368 H ALA 47 H ALA 47 20.970 21.485 0.056
369 HA ALA 47 HA ALA 47 21.426 20.019 2.573
370 HB1 ALA 47 HB1 ALA 47 20.813 22.026 3.421
371 HB2 ALA 47 HB2 ALA 47 19.920 22.491 1.973
372 HB3 ALA 47 HB3 ALA 47 19.196 21.382 3.137
373 H VAL 48 H VAL 48 20.428 18.128 2.733
374 HA VAL 48 HA VAL 48 18.092 17.619 1.012
375 HB VAL 48 HB VAL 48 20.080 15.654 2.157
376 HG11 VAL 48 HG11 VAL 48 18.847 14.006 0.726
377 HG12 VAL 48 HG12 VAL 48 17.946 14.593 2.125
378 HG13 VAL 48 HG13 VAL 48 17.590 15.225 0.517
379 HG21 VAL 48 HG21 VAL 48 19.563 16.571 -0.670
380 HG22 VAL 48 HG22 VAL 48 20.996 16.909 0.301
381 HG23 VAL 48 HG23 VAL 48 20.649 15.258 -0.213
382 H ILE 49 H ILE 49 16.194 17.319 1.968
383 HA ILE 49 HA ILE 49 16.164 16.565 4.818
384 HB ILE 49 HB ILE 49 14.101 18.278 3.434
385 HG12 ILE 49 HG12 ILE 49 15.503 19.733 5.422
386 HG13 ILE 49 HG13 ILE 49 16.713 18.972 4.395
387 HG21 ILE 49 HG21 ILE 49 13.715 18.809 5.982
388 HG22 ILE 49 HG22 ILE 49 12.991 17.389 5.228
389 HG23 ILE 49 HG23 ILE 49 14.457 17.223 6.194
390 HD11 ILE 49 HD11 ILE 49 15.902 20.059 2.472
391 HD12 ILE 49 HD12 ILE 49 14.426 20.569 3.292
392 HD13 ILE 49 HD13 ILE 49 15.975 21.286 3.736
393 H THR 50 H THR 50 15.438 14.562 5.046
394 HA THR 50 HA THR 50 13.537 13.480 3.099
395 HB THR 50 HB THR 50 15.099 12.047 5.257
396 HG1 THR 50 HG1 THR 50 16.315 11.294 3.426
397 HG21 THR 50 HG21 THR 50 12.816 11.234 3.830
398 HG22 THR 50 HG22 THR 50 13.876 10.235 4.824
399 HG23 THR 50 HG23 THR 50 14.181 10.395 3.094
400 H TYR 51 H TYR 51 11.447 13.404 3.565
401 HA TYR 51 HA TYR 51 10.613 13.036 6.353
402 HB2 TYR 51 HB2 TYR 51 9.142 14.838 6.365
403 HB3 TYR 51 HB3 TYR 51 10.529 15.495 5.503
404 HD1 TYR 51 HD1 TYR 51 10.371 14.926 2.830
405 HD2 TYR 51 HD2 TYR 51 7.092 15.409 5.498
406 HE1 TYR 51 HE1 TYR 51 8.920 15.508 0.931
407 HE2 TYR 51 HE2 TYR 51 5.632 15.992 3.607
408 HH TYR 51 HH TYR 51 5.709 15.427 0.979
409 H GLN 52 H GLN 52 8.091 12.726 6.350
410 HA GLN 52 HA GLN 52 7.404 10.940 4.109
411 HB2 GLN 52 HB2 GLN 52 6.760 10.572 7.039
412 HB3 GLN 52 HB3 GLN 52 6.163 9.547 5.741
413 HG2 GLN 52 HG2 GLN 52 8.650 9.177 5.187
414 HG3 GLN 52 HG3 GLN 52 8.943 9.806 6.807
415 HE21 GLN 52 HE21 GLN 52 9.121 8.316 8.304
416 HE22 GLN 52 HE22 GLN 52 8.362 6.765 8.303
417 HA PRO 53 HA PRO 53 3.848 13.506 3.624
418 HB2 PRO 53 HB2 PRO 53 2.376 11.825 2.082
419 HB3 PRO 53 HB3 PRO 53 3.772 12.717 1.467
420 HG2 PRO 53 HG2 PRO 53 3.593 9.870 2.376
421 HG3 PRO 53 HG3 PRO 53 4.425 10.543 0.962
422 HD2 PRO 53 HD2 PRO 53 5.728 9.884 3.242
423 HD3 PRO 53 HD3 PRO 53 6.245 11.226 2.200
424 H TYR 54 H TYR 54 3.728 10.307 4.981
425 HA TYR 54 HA TYR 54 0.959 10.483 5.772
426 HB2 TYR 54 HB2 TYR 54 1.627 8.280 5.374
427 HB3 TYR 54 HB3 TYR 54 3.162 8.491 6.210
428 HD1 TYR 54 HD2 TYR 54 3.256 8.436 8.665
429 HD2 TYR 54 HD1 TYR 54 -0.378 7.712 6.574
430 HE1 TYR 54 HE2 TYR 54 2.282 7.466 10.705
431 HE2 TYR 54 HE1 TYR 54 -1.363 6.741 8.609
432 HH TYR 54 HH TYR 54 -0.296 7.198 11.565
433 H LEU 55 H LEU 55 3.913 11.618 6.973
434 HA LEU 55 HA LEU 55 2.827 11.870 9.696
435 HB2 LEU 55 HB2 LEU 55 5.677 12.285 8.822
436 HB3 LEU 55 HB3 LEU 55 5.068 12.168 10.472
437 HG LEU 55 HG LEU 55 4.922 9.872 8.533
438 HD11 LEU 55 HD11 LEU 55 7.001 9.106 9.148
439 HD12 LEU 55 HD12 LEU 55 7.044 10.075 10.621
440 HD13 LEU 55 HD13 LEU 55 7.286 10.844 9.052
441 HD21 LEU 55 HD21 LEU 55 4.796 8.569 10.628
442 HD22 LEU 55 HD22 LEU 55 3.453 9.697 10.440
443 HD23 LEU 55 HD23 LEU 55 4.779 10.080 11.538
444 H ILE 56 H ILE 56 5.168 13.764 7.796
445 HA ILE 56 HA ILE 56 3.604 16.174 8.459
446 HB ILE 56 HB ILE 56 5.732 16.146 9.665
447 HG12 ILE 56 HG12 ILE 56 5.767 18.148 7.397
448 HG13 ILE 56 HG13 ILE 56 4.775 18.288 8.844
449 HG21 ILE 56 HG21 ILE 56 7.741 15.669 8.755
450 HG22 ILE 56 HG22 ILE 56 6.760 14.845 7.545
451 HG23 ILE 56 HG23 ILE 56 7.362 16.472 7.232
452 HD11 ILE 56 HD11 ILE 56 7.214 17.983 9.949
453 HD12 ILE 56 HD12 ILE 56 7.632 18.815 8.450
454 HD13 ILE 56 HD13 ILE 56 6.481 19.542 9.571
455 H GLN 57 H GLN 57 3.619 17.886 6.909
456 HA GLN 57 HA GLN 57 3.657 16.901 4.185
457 HB2 GLN 57 HB2 GLN 57 2.413 19.121 5.629
458 HB3 GLN 57 HB3 GLN 57 3.018 19.578 4.042
459 HG2 GLN 57 HG2 GLN 57 1.765 17.398 3.291
460 HG3 GLN 57 HG3 GLN 57 0.854 17.678 4.774
461 HE21 GLN 57 HE21 GLN 57 0.120 17.844 1.895
462 HE22 GLN 57 HE22 GLN 57 -0.563 19.418 1.699
463 HA PRO 58 HA PRO 58 7.373 18.744 2.760
464 HB2 PRO 58 HB2 PRO 58 6.659 19.974 0.448
465 HB3 PRO 58 HB3 PRO 58 6.747 18.216 0.613
466 HG2 PRO 58 HG2 PRO 58 4.355 20.013 0.730
467 HG3 PRO 58 HG3 PRO 58 4.540 18.448 -0.083
468 HD2 PRO 58 HD2 PRO 58 3.300 18.708 2.310
469 HD3 PRO 58 HD3 PRO 58 4.219 17.256 1.863
470 H GLU 59 H GLU 59 4.671 21.046 2.417
471 HA GLU 59 HA GLU 59 6.231 23.379 2.438
472 HB2 GLU 59 HB2 GLU 59 3.806 23.180 1.762
473 HB3 GLU 59 HB3 GLU 59 3.406 23.137 3.474
474 HG2 GLU 59 HG2 GLU 59 4.720 25.353 3.601
475 HG3 GLU 59 HG3 GLU 59 4.505 25.392 1.852
476 H ASP 60 H ASP 60 4.858 21.457 5.039
477 HA ASP 60 HA ASP 60 5.380 23.304 7.128
478 HB2 ASP 60 HB2 ASP 60 4.234 20.705 6.873
479 HB3 ASP 60 HB3 ASP 60 5.463 20.638 8.133
480 H LEU 61 H LEU 61 7.203 20.595 5.772
481 HA LEU 61 HA LEU 61 9.305 20.647 7.662
482 HB2 LEU 61 HB2 LEU 61 10.199 18.964 6.461
483 HB3 LEU 61 HB3 LEU 61 8.593 18.937 5.737
484 HG LEU 61 HG LEU 61 9.713 20.594 4.016
485 HD11 LEU 61 HD11 LEU 61 12.119 19.210 3.890
486 HD12 LEU 61 HD12 LEU 61 11.942 19.648 5.589
487 HD13 LEU 61 HD13 LEU 61 11.888 20.898 4.346
488 HD21 LEU 61 HD21 LEU 61 10.673 17.927 3.410
489 HD22 LEU 61 HD22 LEU 61 9.415 18.882 2.624
490 HD23 LEU 61 HD23 LEU 61 9.027 17.911 4.045
491 H ARG 62 H ARG 62 8.499 22.723 5.087
492 HA ARG 62 HA ARG 62 11.054 23.611 4.298
493 HB2 ARG 62 HB2 ARG 62 8.897 24.053 3.091
494 HB3 ARG 62 HB3 ARG 62 8.507 25.234 4.334
495 HG2 ARG 62 HG2 ARG 62 9.457 26.695 2.936
496 HG3 ARG 62 HG3 ARG 62 10.977 26.064 3.574
497 HD2 ARG 62 HD2 ARG 62 11.093 26.070 1.177
498 HD3 ARG 62 HD3 ARG 62 10.997 24.400 1.733
499 HE ARG 62 HE ARG 62 8.957 24.200 0.698
500 HH11 ARG 62 HH11 ARG 62 9.869 27.557 0.839
501 HH12 ARG 62 HH12 ARG 62 8.590 28.083 -0.205
502 HH21 ARG 62 HH21 ARG 62 7.269 24.881 -0.678
503 HH22 ARG 62 HH22 ARG 62 7.111 26.560 -1.066
504 H ASP 63 H ASP 63 8.832 24.724 6.819
505 HA ASP 63 HA ASP 63 10.376 26.954 7.627
506 HB2 ASP 63 HB2 ASP 63 7.975 26.670 8.173
507 HB3 ASP 63 HB3 ASP 63 8.397 25.346 9.256
508 H HIS 64 H HIS 64 10.340 23.571 8.591
509 HA HIS 64 HA HIS 64 11.821 23.632 10.909
510 HB2 HIS 64 HB2 HIS 64 10.999 21.529 10.304
511 HB3 HIS 64 HB3 HIS 64 11.653 21.635 8.672
512 HD1 HIS 64 HD1 HIS 64 13.554 22.073 11.925
513 HD2 HIS 64 HD2 HIS 64 13.362 19.515 8.657
514 HE1 HIS 64 HE1 HIS 64 15.474 20.474 12.209
515 H VAL 65 H VAL 65 12.963 23.819 7.576
516 HA VAL 65 HA VAL 65 15.707 23.578 8.043
517 HB VAL 65 HB VAL 65 14.411 25.298 5.926
518 HG11 VAL 65 HG11 VAL 65 16.623 24.216 4.802
519 HG12 VAL 65 HG12 VAL 65 16.575 25.805 5.568
520 HG13 VAL 65 HG13 VAL 65 17.159 24.406 6.471
521 HG21 VAL 65 HG21 VAL 65 13.434 23.348 5.346
522 HG22 VAL 65 HG22 VAL 65 15.019 23.000 4.656
523 HG23 VAL 65 HG23 VAL 65 14.594 22.373 6.248
524 H ASN 66 H ASN 66 13.636 26.459 8.007
525 HA ASN 66 HA ASN 66 15.693 28.337 8.442
526 HB2 ASN 66 HB2 ASN 66 12.798 28.338 8.319
527 HB3 ASN 66 HB3 ASN 66 13.376 29.395 9.604
528 HD21 ASN 66 HD21 ASN 66 14.536 31.221 9.095
529 HD22 ASN 66 HD22 ASN 66 14.663 31.828 7.482
530 H ASP 67 H ASP 67 14.209 26.069 10.515
531 HA ASP 67 HA ASP 67 14.500 27.414 12.990
532 HB2 ASP 67 HB2 ASP 67 13.183 25.230 12.364
533 HB3 ASP 67 HB3 ASP 67 14.698 24.433 12.780
534 H MET 68 H MET 68 16.724 25.801 10.909
535 HA MET 68 HA MET 68 18.716 25.295 12.916
536 HB2 MET 68 HB2 MET 68 18.796 25.257 9.899
537 HB3 MET 68 HB3 MET 68 20.189 24.878 10.902
538 HG2 MET 68 HG2 MET 68 17.566 23.403 10.874
539 HG3 MET 68 HG3 MET 68 19.080 22.860 10.154
540 HE1 MET 68 HE1 MET 68 21.204 23.342 11.630
541 HE2 MET 68 HE2 MET 68 20.960 23.958 13.264
542 HE3 MET 68 HE3 MET 68 21.404 22.269 13.015
543 H GLY 69 H GLY 69 17.668 28.046 11.269
544 HA2 GLY 69 HA2 GLY 69 18.470 30.215 11.789
545 HA3 GLY 69 HA3 GLY 69 20.028 29.512 12.200
546 H PHE 70 H PHE 70 19.693 27.907 9.577
547 HA PHE 70 HA PHE 70 21.053 29.886 7.940
548 HB2 PHE 70 HB2 PHE 70 20.608 26.917 7.585
549 HB3 PHE 70 HB3 PHE 70 21.468 27.924 6.424
550 HD1 PHE 70 HD2 PHE 70 23.628 28.933 7.020
551 HD2 PHE 70 HD1 PHE 70 21.622 26.228 9.624
552 HE1 PHE 70 HE2 PHE 70 25.715 28.604 8.281
553 HE2 PHE 70 HE1 PHE 70 23.706 25.896 10.889
554 HZ PHE 70 HZ PHE 70 25.756 27.083 10.218
555 H GLU 71 H GLU 71 20.540 29.956 5.574
556 HA GLU 71 HA GLU 71 17.619 29.978 5.208
557 HB2 GLU 71 HB2 GLU 71 19.596 31.540 3.559
558 HB3 GLU 71 HB3 GLU 71 17.863 31.794 3.709
559 HG2 GLU 71 HG2 GLU 71 18.486 32.201 6.235
560 HG3 GLU 71 HG3 GLU 71 20.064 32.574 5.542
561 H ALA 72 H ALA 72 16.759 28.623 3.783
562 HA ALA 72 HA ALA 72 18.520 27.444 1.732
563 HB1 ALA 72 HB1 ALA 72 16.170 26.068 3.018
564 HB2 ALA 72 HB2 ALA 72 17.370 25.364 1.934
565 HB3 ALA 72 HB3 ALA 72 17.838 25.874 3.556
566 H ALA 73 H ALA 73 17.769 27.317 -0.338
567 HA ALA 73 HA ALA 73 15.017 28.193 -0.867
568 HB1 ALA 73 HB1 ALA 73 17.457 29.616 -1.546
569 HB2 ALA 73 HB2 ALA 73 16.446 29.292 -2.955
570 HB3 ALA 73 HB3 ALA 73 15.781 30.165 -1.574
571 H ILE 74 H ILE 74 14.068 27.334 -2.706
572 HA ILE 74 HA ILE 74 14.657 24.788 -3.481
573 HB ILE 74 HB ILE 74 13.390 26.904 -5.224
574 HG12 ILE 74 HG12 ILE 74 12.141 24.890 -3.342
575 HG13 ILE 74 HG13 ILE 74 12.284 26.617 -3.037
576 HG21 ILE 74 HG21 ILE 74 14.080 24.189 -5.766
577 HG22 ILE 74 HG22 ILE 74 12.324 24.340 -5.721
578 HG23 ILE 74 HG23 ILE 74 13.268 25.357 -6.809
579 HD11 ILE 74 HD11 ILE 74 10.989 26.118 -5.559
580 HD12 ILE 74 HD12 ILE 74 10.163 25.293 -4.237
581 HD13 ILE 74 HD13 ILE 74 10.427 27.035 -4.163
582 H LYS 75 H LYS 75 16.246 23.853 -4.572
583 HA LYS 75 HA LYS 75 18.468 25.117 -5.587
584 HB2 LYS 75 HB2 LYS 75 17.262 22.461 -6.374
585 HB3 LYS 75 HB3 LYS 75 18.860 22.994 -6.879
586 HG2 LYS 75 HG2 LYS 75 19.243 23.307 -4.313
587 HG3 LYS 75 HG3 LYS 75 17.900 22.169 -4.183
588 HD2 LYS 75 HD2 LYS 75 19.849 20.845 -4.163
589 HD3 LYS 75 HD3 LYS 75 19.195 20.690 -5.795
590 HE2 LYS 75 HE2 LYS 75 20.776 22.418 -6.562
591 HE3 LYS 75 HE3 LYS 75 21.450 22.501 -4.935
592 HZ1 LYS 75 HZ1 LYS 75 22.808 20.868 -5.508
593 HZ2 LYS 75 HZ2 LYS 75 22.054 20.684 -7.011
594 HZ3 LYS 75 HZ3 LYS 75 21.481 19.831 -5.666
595 H SER 76 H SER 76 15.880 23.682 -7.586
596 HA SER 76 HA SER 76 16.698 25.420 -9.796
597 HB2 SER 76 HB2 SER 76 16.525 23.235 -10.601
598 HB3 SER 76 HB3 SER 76 15.105 22.881 -9.618
599 HG SER 76 HG SER 76 15.101 23.572 -12.110
Start of MODEL 19
1 H1 ALA 1 H ALA 1 4.820 4.700 -8.576
2 HA ALA 1 HA ALA 1 6.008 4.944 -5.919
3 HB1 ALA 1 HB1 ALA 1 3.667 6.366 -6.724
4 HB2 ALA 1 HB2 ALA 1 3.228 5.165 -5.509
5 HB3 ALA 1 HB3 ALA 1 4.479 6.358 -5.158
6 H GLY 2 H GLY 2 5.006 3.419 -4.351
7 HA2 GLY 2 HA2 GLY 2 3.240 1.379 -5.036
8 HA3 GLY 2 HA3 GLY 2 4.848 0.822 -5.473
9 H HIS 3 H HIS 3 6.505 1.398 -3.594
10 HA HIS 3 HA HIS 3 5.304 0.322 -1.130
11 HB2 HIS 3 HB2 HIS 3 7.022 -1.089 -2.334
12 HB3 HIS 3 HB3 HIS 3 8.209 0.151 -1.940
13 HD1 HIS 3 HD1 HIS 3 6.369 -2.716 -0.503
14 HD2 HIS 3 HD2 HIS 3 8.838 0.345 0.835
15 HE1 HIS 3 HE1 HIS 3 7.062 -3.379 1.822
16 H MET 4 H MET 4 8.188 2.217 -2.050
17 HA MET 4 HA MET 4 8.006 3.687 0.455
18 HB2 MET 4 HB2 MET 4 10.075 3.368 -1.675
19 HB3 MET 4 HB3 MET 4 10.131 4.800 -0.656
20 HG2 MET 4 HG2 MET 4 10.390 3.491 1.310
21 HG3 MET 4 HG3 MET 4 10.057 2.001 0.431
22 HE1 MET 4 HE1 MET 4 12.857 1.335 -1.761
23 HE2 MET 4 HE2 MET 4 12.712 0.460 -0.236
24 HE3 MET 4 HE3 MET 4 11.262 0.956 -1.109
25 H GLN 5 H GLN 5 6.594 5.317 0.478
26 HA GLN 5 HA GLN 5 6.170 6.909 -1.932
27 HB2 GLN 5 HB2 GLN 5 4.254 7.848 -0.761
28 HB3 GLN 5 HB3 GLN 5 4.201 6.091 -0.704
29 HG2 GLN 5 HG2 GLN 5 5.432 6.471 1.593
30 HG3 GLN 5 HG3 GLN 5 4.656 8.050 1.478
31 HE21 GLN 5 HE21 GLN 5 4.098 4.592 1.585
32 HE22 GLN 5 HE22 GLN 5 2.462 4.681 2.134
33 H GLU 6 H GLU 6 7.898 7.016 0.999
34 HA GLU 6 HA GLU 6 7.923 9.692 1.684
35 HB2 GLU 6 HB2 GLU 6 10.319 9.222 2.443
36 HB3 GLU 6 HB3 GLU 6 9.048 8.223 3.133
37 HG2 GLU 6 HG2 GLU 6 9.614 6.391 1.724
38 HG3 GLU 6 HG3 GLU 6 10.724 7.386 0.783
39 H ALA 7 H ALA 7 8.962 11.501 0.981
40 HA ALA 7 HA ALA 7 10.634 11.249 -1.431
41 HB1 ALA 7 HB1 ALA 7 9.562 13.561 -2.010
42 HB2 ALA 7 HB2 ALA 7 8.711 12.064 -2.395
43 HB3 ALA 7 HB3 ALA 7 8.259 12.993 -0.966
44 H VAL 8 H VAL 8 12.416 12.539 -1.535
45 HA VAL 8 HA VAL 8 12.856 14.397 0.711
46 HB VAL 8 HB VAL 8 14.258 12.553 1.186
47 HG11 VAL 8 HG11 VAL 8 14.219 11.282 -0.792
48 HG12 VAL 8 HG12 VAL 8 14.916 12.592 -1.746
49 HG13 VAL 8 HG13 VAL 8 15.909 11.733 -0.568
50 HG21 VAL 8 HG21 VAL 8 15.950 14.578 -0.276
51 HG22 VAL 8 HG22 VAL 8 15.339 14.755 1.369
52 HG23 VAL 8 HG23 VAL 8 16.496 13.479 0.991
53 H VAL 9 H VAL 9 13.819 16.335 0.259
54 HA VAL 9 HA VAL 9 14.482 16.860 -2.565
55 HB VAL 9 HB VAL 9 13.434 18.951 -2.531
56 HG11 VAL 9 HG11 VAL 9 11.889 16.961 -2.520
57 HG12 VAL 9 HG12 VAL 9 11.587 17.306 -0.816
58 HG13 VAL 9 HG13 VAL 9 11.158 18.494 -2.047
59 HG21 VAL 9 HG21 VAL 9 12.483 19.930 -0.424
60 HG22 VAL 9 HG22 VAL 9 13.338 18.671 0.467
61 HG23 VAL 9 HG23 VAL 9 14.244 19.851 -0.480
62 H LYS 10 H LYS 10 16.039 18.542 -2.939
63 HA LYS 10 HA LYS 10 17.877 18.902 -0.665
64 HB2 LYS 10 HB2 LYS 10 19.585 19.303 -2.553
65 HB3 LYS 10 HB3 LYS 10 19.056 17.653 -2.252
66 HG2 LYS 10 HG2 LYS 10 17.525 19.196 -4.255
67 HG3 LYS 10 HG3 LYS 10 19.169 18.724 -4.689
68 HD2 LYS 10 HD2 LYS 10 18.687 16.460 -4.570
69 HD3 LYS 10 HD3 LYS 10 17.290 16.710 -3.519
70 HE2 LYS 10 HE2 LYS 10 17.244 17.849 -6.273
71 HE3 LYS 10 HE3 LYS 10 16.995 16.116 -6.068
72 HZ1 LYS 10 HZ1 LYS 10 15.390 18.297 -4.853
73 HZ2 LYS 10 HZ2 LYS 10 15.201 16.658 -4.480
74 HZ3 LYS 10 HZ3 LYS 10 14.887 17.210 -6.048
75 H LEU 11 H LEU 11 18.481 20.911 -0.075
76 HA LEU 11 HA LEU 11 17.607 23.155 -1.772
77 HB2 LEU 11 HB2 LEU 11 17.610 23.089 1.241
78 HB3 LEU 11 HB3 LEU 11 17.072 24.421 0.220
79 HG LEU 11 HG LEU 11 15.490 22.316 -0.602
80 HD11 LEU 11 HD11 LEU 11 16.406 21.075 1.405
81 HD12 LEU 11 HD12 LEU 11 14.651 21.197 1.293
82 HD13 LEU 11 HD13 LEU 11 15.537 22.243 2.402
83 HD21 LEU 11 HD21 LEU 11 13.916 23.588 1.200
84 HD22 LEU 11 HD22 LEU 11 14.285 24.203 -0.412
85 HD23 LEU 11 HD23 LEU 11 15.204 24.773 0.982
86 H ARG 12 H ARG 12 18.975 24.897 -1.950
87 HA ARG 12 HA ARG 12 21.740 24.395 -1.304
88 HB2 ARG 12 HB2 ARG 12 20.704 25.537 -3.428
89 HB3 ARG 12 HB3 ARG 12 20.761 26.988 -2.437
90 HG2 ARG 12 HG2 ARG 12 23.113 26.890 -2.257
91 HG3 ARG 12 HG3 ARG 12 23.164 25.249 -2.905
92 HD2 ARG 12 HD2 ARG 12 23.773 26.449 -4.760
93 HD3 ARG 12 HD3 ARG 12 22.026 26.377 -4.983
94 HE ARG 12 HE ARG 12 22.393 28.673 -3.590
95 HH11 ARG 12 HH11 ARG 12 23.752 27.392 -6.528
96 HH12 ARG 12 HH12 ARG 12 24.002 28.949 -7.245
97 HH21 ARG 12 HH21 ARG 12 22.717 30.729 -4.523
98 HH22 ARG 12 HH22 ARG 12 23.414 30.846 -6.103
99 H VAL 13 H VAL 13 22.836 25.151 0.388
100 HA VAL 13 HA VAL 13 21.472 26.937 2.250
101 HB VAL 13 HB VAL 13 24.142 25.619 2.695
102 HG11 VAL 13 HG11 VAL 13 23.048 25.692 5.094
103 HG12 VAL 13 HG12 VAL 13 23.875 27.097 4.420
104 HG13 VAL 13 HG13 VAL 13 22.114 27.002 4.374
105 HG21 VAL 13 HG21 VAL 13 21.507 24.389 2.510
106 HG22 VAL 13 HG22 VAL 13 23.106 23.643 2.538
107 HG23 VAL 13 HG23 VAL 13 22.310 24.082 4.050
108 H GLU 14 H GLU 14 22.084 28.981 2.673
109 HA GLU 14 HA GLU 14 24.340 30.049 1.123
110 HB2 GLU 14 HB2 GLU 14 21.801 30.928 1.133
111 HB3 GLU 14 HB3 GLU 14 22.433 31.882 2.468
112 HG2 GLU 14 HG2 GLU 14 24.071 31.844 0.021
113 HG3 GLU 14 HG3 GLU 14 22.513 32.660 -0.097
114 H GLY 15 H GLY 15 23.643 29.015 4.176
115 HA2 GLY 15 HA2 GLY 15 25.475 30.974 5.413
116 HA3 GLY 15 HA3 GLY 15 24.231 30.097 6.290
117 H MET 16 H MET 16 25.567 28.004 4.105
118 HA MET 16 HA MET 16 26.789 26.409 6.079
119 HB2 MET 16 HB2 MET 16 27.169 24.869 4.403
120 HB3 MET 16 HB3 MET 16 25.848 25.801 3.711
121 HG2 MET 16 HG2 MET 16 28.765 26.217 3.102
122 HG3 MET 16 HG3 MET 16 27.631 25.320 2.096
123 HE1 MET 16 HE1 MET 16 29.195 27.280 0.653
124 HE2 MET 16 HE2 MET 16 28.621 28.940 0.500
125 HE3 MET 16 HE3 MET 16 29.504 28.442 1.944
126 H THR 17 H THR 17 27.917 29.122 4.381
127 HA THR 17 HA THR 17 30.686 28.504 4.263
128 HB THR 17 HB THR 17 29.658 30.297 2.905
129 HG1 THR 17 HG1 THR 17 31.935 30.318 3.424
130 HG21 THR 17 HG21 THR 17 28.326 31.089 5.053
131 HG22 THR 17 HG22 THR 17 28.750 32.217 3.765
132 HG23 THR 17 HG23 THR 17 29.723 32.150 5.234
133 H CYS 18 H CYS 18 28.600 29.444 6.814
134 HA CYS 18 HA CYS 18 30.377 30.806 8.500
135 HB2 CYS 18 HB2 CYS 18 27.994 30.797 8.941
136 HB3 CYS 18 HB3 CYS 18 28.008 29.053 9.173
137 HG CYS 18 HG CYS 18 28.704 31.487 11.333
138 H GLN 19 H GLN 19 29.235 27.504 9.152
139 HA GLN 19 HA GLN 19 31.964 26.574 9.507
140 HB2 GLN 19 HB2 GLN 19 30.535 27.524 11.709
141 HB3 GLN 19 HB3 GLN 19 30.388 25.774 11.807
142 HG2 GLN 19 HG2 GLN 19 32.562 25.481 12.297
143 HG3 GLN 19 HG3 GLN 19 33.088 26.792 11.243
144 HE21 GLN 19 HE21 GLN 19 34.358 27.934 12.574
145 HE22 GLN 19 HE22 GLN 19 33.839 28.649 14.059
146 H SER 20 H SER 20 31.510 24.193 10.754
147 HA SER 20 HA SER 20 30.053 22.751 8.690
148 HB2 SER 20 HB2 SER 20 31.985 21.938 10.850
149 HB3 SER 20 HB3 SER 20 31.028 20.733 9.988
150 HG SER 20 HG SER 20 33.081 22.389 9.055
151 H CYS 21 H CYS 21 28.285 24.146 10.188
152 HA CYS 21 HA CYS 21 27.270 22.838 12.460
153 HB2 CYS 21 HB2 CYS 21 26.685 25.163 11.107
154 HB3 CYS 21 HB3 CYS 21 25.257 24.181 10.807
155 HG CYS 21 HG CYS 21 26.286 24.267 14.006
156 H VAL 22 H VAL 22 27.197 21.974 9.177
157 HA VAL 22 HA VAL 22 24.791 20.707 8.790
158 HB VAL 22 HB VAL 22 27.524 19.778 7.901
159 HG11 VAL 22 HG11 VAL 22 26.448 17.892 7.337
160 HG12 VAL 22 HG12 VAL 22 24.855 18.631 7.518
161 HG13 VAL 22 HG13 VAL 22 25.772 18.863 6.029
162 HG21 VAL 22 HG21 VAL 22 27.263 21.828 6.894
163 HG22 VAL 22 HG22 VAL 22 26.513 20.773 5.696
164 HG23 VAL 22 HG23 VAL 22 25.507 21.689 6.818
165 H SER 23 H SER 23 27.675 19.406 10.400
166 HA SER 23 HA SER 23 26.626 16.839 10.904
167 HB2 SER 23 HB2 SER 23 29.008 18.331 11.584
168 HB3 SER 23 HB3 SER 23 28.436 17.410 12.975
169 HG SER 23 HG SER 23 28.798 16.310 10.385
170 H SER 24 H SER 24 26.545 19.845 12.743
171 HA SER 24 HA SER 24 25.420 18.737 15.100
172 HB2 SER 24 HB2 SER 24 26.430 20.813 15.444
173 HB3 SER 24 HB3 SER 24 25.696 21.519 14.005
174 HG SER 24 HG SER 24 24.643 21.173 16.561
175 H ILE 25 H ILE 25 24.036 20.249 12.222
176 HA ILE 25 HA ILE 25 21.370 20.366 13.099
177 HB ILE 25 HB ILE 25 22.440 20.071 10.290
178 HG12 ILE 25 HG12 ILE 25 21.315 22.622 11.301
179 HG13 ILE 25 HG13 ILE 25 22.873 22.141 11.965
180 HG21 ILE 25 HG21 ILE 25 20.164 19.406 10.241
181 HG22 ILE 25 HG22 ILE 25 19.685 20.726 11.307
182 HG23 ILE 25 HG23 ILE 25 20.216 21.071 9.662
183 HD11 ILE 25 HD11 ILE 25 22.795 21.856 9.089
184 HD12 ILE 25 HD12 ILE 25 22.434 23.502 9.608
185 HD13 ILE 25 HD13 ILE 25 23.936 22.728 10.112
186 H GLU 26 H GLU 26 23.299 17.744 11.882
187 HA GLU 26 HA GLU 26 21.406 15.974 10.943
188 HB2 GLU 26 HB2 GLU 26 24.106 15.858 11.566
189 HB3 GLU 26 HB3 GLU 26 23.386 14.650 12.622
190 HG2 GLU 26 HG2 GLU 26 22.166 13.968 10.366
191 HG3 GLU 26 HG3 GLU 26 23.608 14.706 9.672
192 H GLY 27 H GLY 27 22.332 16.639 14.291
193 HA2 GLY 27 HA2 GLY 27 20.785 14.585 15.473
194 HA3 GLY 27 HA3 GLY 27 21.377 16.025 16.288
195 H LYS 28 H LYS 28 19.988 17.804 14.380
196 HA LYS 28 HA LYS 28 17.600 18.169 15.815
197 HB2 LYS 28 HB2 LYS 28 19.034 19.524 13.763
198 HB3 LYS 28 HB3 LYS 28 17.365 19.366 13.234
199 HG2 LYS 28 HG2 LYS 28 17.653 21.451 14.394
200 HG3 LYS 28 HG3 LYS 28 16.623 20.383 15.351
201 HD2 LYS 28 HD2 LYS 28 18.140 20.203 17.020
202 HD3 LYS 28 HD3 LYS 28 19.515 20.227 15.914
203 HE2 LYS 28 HE2 LYS 28 18.923 22.711 15.580
204 HE3 LYS 28 HE3 LYS 28 17.963 22.530 17.047
205 HZ1 LYS 28 HZ1 LYS 28 20.743 21.607 17.085
206 HZ2 LYS 28 HZ2 LYS 28 19.807 22.260 18.333
207 HZ3 LYS 28 HZ3 LYS 28 20.456 23.274 17.144
208 H VAL 29 H VAL 29 18.291 16.538 12.772
209 HA VAL 29 HA VAL 29 15.702 16.170 11.824
210 HB VAL 29 HB VAL 29 18.070 15.490 10.839
211 HG11 VAL 29 HG11 VAL 29 17.025 12.815 11.736
212 HG12 VAL 29 HG12 VAL 29 18.550 13.173 10.923
213 HG13 VAL 29 HG13 VAL 29 18.298 13.686 12.591
214 HG21 VAL 29 HG21 VAL 29 15.733 13.765 10.099
215 HG22 VAL 29 HG22 VAL 29 15.711 15.503 9.801
216 HG23 VAL 29 HG23 VAL 29 16.951 14.496 9.054
217 H ARG 30 H ARG 30 17.450 14.488 14.346
218 HA ARG 30 HA ARG 30 15.717 12.258 14.567
219 HB2 ARG 30 HB2 ARG 30 18.049 12.421 15.501
220 HB3 ARG 30 HB3 ARG 30 17.406 13.468 16.759
221 HG2 ARG 30 HG2 ARG 30 16.215 11.750 17.760
222 HG3 ARG 30 HG3 ARG 30 16.242 10.752 16.304
223 HD2 ARG 30 HD2 ARG 30 18.623 10.368 16.583
224 HD3 ARG 30 HD3 ARG 30 18.648 11.428 17.992
225 HE ARG 30 HE ARG 30 17.845 8.691 17.919
226 HH11 ARG 30 HH11 ARG 30 17.290 11.738 19.510
227 HH12 ARG 30 HH12 ARG 30 16.732 11.016 20.983
228 HH21 ARG 30 HH21 ARG 30 17.113 7.729 19.853
229 HH22 ARG 30 HH22 ARG 30 16.633 8.735 21.177
230 H LYS 31 H LYS 31 15.513 15.530 15.643
231 HA LYS 31 HA LYS 31 13.529 15.023 17.675
232 HB2 LYS 31 HB2 LYS 31 14.328 17.651 16.413
233 HB3 LYS 31 HB3 LYS 31 13.426 17.438 17.908
234 HG2 LYS 31 HG2 LYS 31 16.219 16.397 17.536
235 HG3 LYS 31 HG3 LYS 31 15.869 18.018 18.143
236 HD2 LYS 31 HD2 LYS 31 14.480 15.740 19.442
237 HD3 LYS 31 HD3 LYS 31 16.206 15.926 19.759
238 HE2 LYS 31 HE2 LYS 31 15.347 17.220 21.438
239 HE3 LYS 31 HE3 LYS 31 15.517 18.434 20.171
240 HZ1 LYS 31 HZ1 LYS 31 13.293 18.605 19.907
241 HZ2 LYS 31 HZ2 LYS 31 13.280 18.092 21.519
242 HZ3 LYS 31 HZ3 LYS 31 12.992 16.981 20.276
243 H LEU 32 H LEU 32 13.545 15.409 14.296
244 HA LEU 32 HA LEU 32 10.904 16.507 14.039
245 HB2 LEU 32 HB2 LEU 32 13.050 15.609 12.249
246 HB3 LEU 32 HB3 LEU 32 11.420 15.359 11.628
247 HG LEU 32 HG LEU 32 12.607 17.507 10.961
248 HD11 LEU 32 HD11 LEU 32 10.593 18.449 10.596
249 HD12 LEU 32 HD12 LEU 32 10.097 18.305 12.282
250 HD13 LEU 32 HD13 LEU 32 9.997 16.907 11.211
251 HD21 LEU 32 HD21 LEU 32 11.916 18.229 13.807
252 HD22 LEU 32 HD22 LEU 32 12.489 19.345 12.568
253 HD23 LEU 32 HD23 LEU 32 13.542 18.053 13.147
254 H GLN 33 H GLN 33 9.001 15.466 13.730
255 HA GLN 33 HA GLN 33 8.928 12.643 14.368
256 HB2 GLN 33 HB2 GLN 33 6.482 12.951 14.416
257 HB3 GLN 33 HB3 GLN 33 7.317 14.114 15.438
258 HG2 GLN 33 HG2 GLN 33 7.131 15.753 13.546
259 HG3 GLN 33 HG3 GLN 33 6.074 14.592 12.746
260 HE21 GLN 33 HE21 GLN 33 4.061 14.096 13.701
261 HE22 GLN 33 HE22 GLN 33 3.308 15.186 14.810
262 H GLY 34 H GLY 34 7.937 14.738 11.675
263 HA2 GLY 34 HA2 GLY 34 7.093 12.511 10.057
264 HA3 GLY 34 HA3 GLY 34 7.206 14.189 9.547
265 H VAL 35 H VAL 35 9.720 14.899 9.703
266 HA VAL 35 HA VAL 35 10.993 13.908 7.509
267 HB VAL 35 HB VAL 35 11.631 15.780 9.427
268 HG11 VAL 35 HG11 VAL 35 12.774 13.958 10.703
269 HG12 VAL 35 HG12 VAL 35 13.899 13.798 9.353
270 HG13 VAL 35 HG13 VAL 35 13.817 15.309 10.261
271 HG21 VAL 35 HG21 VAL 35 13.684 14.996 7.413
272 HG22 VAL 35 HG22 VAL 35 12.093 15.514 6.855
273 HG23 VAL 35 HG23 VAL 35 13.077 16.596 7.840
274 H VAL 36 H VAL 36 12.481 12.326 7.040
275 HA VAL 36 HA VAL 36 12.569 10.094 8.912
276 HB VAL 36 HB VAL 36 13.768 10.089 6.155
277 HG11 VAL 36 HG11 VAL 36 13.928 8.230 8.045
278 HG12 VAL 36 HG12 VAL 36 12.362 7.776 7.370
279 HG13 VAL 36 HG13 VAL 36 13.790 7.820 6.336
280 HG21 VAL 36 HG21 VAL 36 11.559 10.897 5.780
281 HG22 VAL 36 HG22 VAL 36 11.559 9.179 5.381
282 HG23 VAL 36 HG23 VAL 36 10.874 9.729 6.909
283 H ARG 37 H ARG 37 14.857 12.018 6.975
284 HA ARG 37 HA ARG 37 16.784 12.118 9.051
285 HB2 ARG 37 HB2 ARG 37 16.831 9.748 7.540
286 HB3 ARG 37 HB3 ARG 37 18.170 10.719 6.944
287 HG2 ARG 37 HG2 ARG 37 19.183 10.811 9.071
288 HG3 ARG 37 HG3 ARG 37 17.734 10.193 9.867
289 HD2 ARG 37 HD2 ARG 37 19.444 8.465 9.700
290 HD3 ARG 37 HD3 ARG 37 18.026 8.047 8.739
291 HE ARG 37 HE ARG 37 19.767 9.333 7.026
292 HH11 ARG 37 HH11 ARG 37 19.782 6.466 9.001
293 HH12 ARG 37 HH12 ARG 37 20.863 5.598 7.962
294 HH21 ARG 37 HH21 ARG 37 21.191 8.200 5.651
295 HH22 ARG 37 HH22 ARG 37 21.665 6.585 6.057
296 H VAL 38 H VAL 38 18.877 13.085 8.255
297 HA VAL 38 HA VAL 38 18.363 14.803 5.913
298 HB VAL 38 HB VAL 38 19.936 16.441 7.090
299 HG11 VAL 38 HG11 VAL 38 17.827 16.780 8.848
300 HG12 VAL 38 HG12 VAL 38 17.942 17.432 7.212
301 HG13 VAL 38 HG13 VAL 38 17.114 15.900 7.496
302 HG21 VAL 38 HG21 VAL 38 20.833 14.950 8.769
303 HG22 VAL 38 HG22 VAL 38 19.967 16.270 9.555
304 HG23 VAL 38 HG23 VAL 38 19.221 14.677 9.431
305 H LYS 39 H LYS 39 19.870 14.862 4.356
306 HA LYS 39 HA LYS 39 22.374 13.389 4.833
307 HB2 LYS 39 HB2 LYS 39 20.802 12.480 3.100
308 HB3 LYS 39 HB3 LYS 39 21.049 13.956 2.177
309 HG2 LYS 39 HG2 LYS 39 22.812 13.031 1.219
310 HG3 LYS 39 HG3 LYS 39 23.606 12.947 2.794
311 HD2 LYS 39 HD2 LYS 39 23.107 10.742 3.079
312 HD3 LYS 39 HD3 LYS 39 21.601 10.853 2.165
313 HE2 LYS 39 HE2 LYS 39 23.284 11.296 0.167
314 HE3 LYS 39 HE3 LYS 39 24.382 10.400 1.216
315 HZ1 LYS 39 HZ1 LYS 39 21.713 9.431 0.345
316 HZ2 LYS 39 HZ2 LYS 39 22.851 8.566 1.249
317 HZ3 LYS 39 HZ3 LYS 39 23.182 8.972 -0.360
318 H VAL 40 H VAL 40 21.611 16.335 5.210
319 HA VAL 40 HA VAL 40 22.698 18.070 3.437
320 HB VAL 40 HB VAL 40 23.215 18.183 6.412
321 HG11 VAL 40 HG11 VAL 40 22.772 20.662 4.918
322 HG12 VAL 40 HG12 VAL 40 23.978 20.275 6.147
323 HG13 VAL 40 HG13 VAL 40 24.243 19.799 4.469
324 HG21 VAL 40 HG21 VAL 40 20.873 17.901 6.099
325 HG22 VAL 40 HG22 VAL 40 21.150 19.613 6.418
326 HG23 VAL 40 HG23 VAL 40 20.847 19.062 4.771
327 H SER 41 H SER 41 24.595 18.328 2.469
328 HA SER 41 HA SER 41 26.957 17.027 3.652
329 HB2 SER 41 HB2 SER 41 26.138 16.211 1.393
330 HB3 SER 41 HB3 SER 41 26.606 17.784 0.748
331 HG SER 41 HG SER 41 28.406 16.148 2.190
332 H LEU 42 H LEU 42 28.152 18.478 4.699
333 HA LEU 42 HA LEU 42 28.140 21.256 4.147
334 HB2 LEU 42 HB2 LEU 42 29.618 21.480 5.910
335 HB3 LEU 42 HB3 LEU 42 28.730 20.015 6.322
336 HG LEU 42 HG LEU 42 30.810 18.898 5.074
337 HD11 LEU 42 HD11 LEU 42 32.782 20.319 6.156
338 HD12 LEU 42 HD12 LEU 42 31.667 21.637 5.799
339 HD13 LEU 42 HD13 LEU 42 32.222 20.577 4.503
340 HD21 LEU 42 HD21 LEU 42 29.872 18.984 7.608
341 HD22 LEU 42 HD22 LEU 42 31.464 19.713 7.824
342 HD23 LEU 42 HD23 LEU 42 31.319 18.103 7.117
343 H SER 43 H SER 43 30.099 18.595 3.042
344 HA SER 43 HA SER 43 32.252 20.149 2.021
345 HB2 SER 43 HB2 SER 43 31.343 17.373 1.221
346 HB3 SER 43 HB3 SER 43 32.905 18.097 0.840
347 HG SER 43 HG SER 43 33.365 17.031 2.642
348 H ASN 44 H ASN 44 29.132 19.209 0.801
349 HA ASN 44 HA ASN 44 29.793 20.217 -1.869
350 HB2 ASN 44 HB2 ASN 44 28.580 17.999 -1.512
351 HB3 ASN 44 HB3 ASN 44 27.186 18.956 -1.019
352 HD21 ASN 44 HD21 ASN 44 29.137 17.886 -3.639
353 HD22 ASN 44 HD22 ASN 44 28.172 18.544 -4.912
354 H GLN 45 H GLN 45 28.855 21.515 0.935
355 HA GLN 45 HA GLN 45 27.719 23.378 1.587
356 HB2 GLN 45 HB2 GLN 45 27.993 24.221 -1.299
357 HB3 GLN 45 HB3 GLN 45 27.815 25.267 0.103
358 HG2 GLN 45 HG2 GLN 45 30.002 24.500 0.924
359 HG3 GLN 45 HG3 GLN 45 30.181 23.519 -0.529
360 HE21 GLN 45 HE21 GLN 45 32.125 25.243 -0.071
361 HE22 GLN 45 HE22 GLN 45 32.033 26.610 -1.124
362 H GLU 46 H GLU 46 26.096 21.185 0.878
363 HA GLU 46 HA GLU 46 23.678 22.613 0.013
364 HB2 GLU 46 HB2 GLU 46 23.031 20.979 -1.487
365 HB3 GLU 46 HB3 GLU 46 24.772 21.000 -1.728
366 HG2 GLU 46 HG2 GLU 46 24.681 19.133 0.146
367 HG3 GLU 46 HG3 GLU 46 23.050 18.931 -0.492
368 H ALA 47 H ALA 47 21.671 21.602 0.744
369 HA ALA 47 HA ALA 47 22.022 19.907 3.125
370 HB1 ALA 47 HB1 ALA 47 20.157 21.227 4.182
371 HB2 ALA 47 HB2 ALA 47 21.691 22.081 4.009
372 HB3 ALA 47 HB3 ALA 47 20.367 22.409 2.891
373 H VAL 48 H VAL 48 20.882 18.098 2.980
374 HA VAL 48 HA VAL 48 18.514 18.061 1.227
375 HB VAL 48 HB VAL 48 20.328 15.780 2.026
376 HG11 VAL 48 HG11 VAL 48 18.319 14.698 1.788
377 HG12 VAL 48 HG12 VAL 48 17.700 15.872 0.625
378 HG13 VAL 48 HG13 VAL 48 18.896 14.677 0.122
379 HG21 VAL 48 HG21 VAL 48 21.489 16.993 0.411
380 HG22 VAL 48 HG22 VAL 48 20.654 15.755 -0.529
381 HG23 VAL 48 HG23 VAL 48 20.021 17.400 -0.478
382 H ILE 49 H ILE 49 16.586 17.660 2.100
383 HA ILE 49 HA ILE 49 16.499 16.558 4.833
384 HB ILE 49 HB ILE 49 14.623 18.587 3.612
385 HG12 ILE 49 HG12 ILE 49 15.992 19.322 6.072
386 HG13 ILE 49 HG13 ILE 49 17.126 18.969 4.773
387 HG21 ILE 49 HG21 ILE 49 13.236 17.443 5.037
388 HG22 ILE 49 HG22 ILE 49 14.546 16.998 6.130
389 HG23 ILE 49 HG23 ILE 49 13.912 18.644 6.137
390 HD11 ILE 49 HD11 ILE 49 16.632 20.849 3.688
391 HD12 ILE 49 HD12 ILE 49 14.898 20.656 3.948
392 HD13 ILE 49 HD13 ILE 49 15.906 21.366 5.210
393 H THR 50 H THR 50 15.775 14.538 4.733
394 HA THR 50 HA THR 50 13.886 13.751 2.656
395 HB THR 50 HB THR 50 15.276 12.062 4.745
396 HG1 THR 50 HG1 THR 50 16.858 12.581 3.366
397 HG21 THR 50 HG21 THR 50 13.970 10.373 4.113
398 HG22 THR 50 HG22 THR 50 14.427 10.620 2.428
399 HG23 THR 50 HG23 THR 50 13.048 11.486 3.104
400 H TYR 51 H TYR 51 11.771 13.623 2.994
401 HA TYR 51 HA TYR 51 10.780 13.119 5.708
402 HB2 TYR 51 HB2 TYR 51 9.396 14.958 5.777
403 HB3 TYR 51 HB3 TYR 51 10.755 15.627 4.880
404 HD1 TYR 51 HD1 TYR 51 10.556 15.291 2.238
405 HD2 TYR 51 HD2 TYR 51 7.277 15.333 4.949
406 HE1 TYR 51 HE1 TYR 51 9.045 15.893 0.393
407 HE2 TYR 51 HE2 TYR 51 5.757 15.934 3.112
408 HH TYR 51 HH TYR 51 5.941 15.519 0.363
409 H GLN 52 H GLN 52 8.365 12.639 5.653
410 HA GLN 52 HA GLN 52 7.709 11.123 3.214
411 HB2 GLN 52 HB2 GLN 52 8.351 9.815 5.360
412 HB3 GLN 52 HB3 GLN 52 6.764 10.299 5.943
413 HG2 GLN 52 HG2 GLN 52 5.660 9.098 4.251
414 HG3 GLN 52 HG3 GLN 52 7.145 8.885 3.326
415 HE21 GLN 52 HE21 GLN 52 5.641 8.073 6.420
416 HE22 GLN 52 HE22 GLN 52 6.399 6.530 6.585
417 HA PRO 53 HA PRO 53 4.055 13.598 3.108
418 HB2 PRO 53 HB2 PRO 53 2.642 12.095 1.344
419 HB3 PRO 53 HB3 PRO 53 3.995 13.125 0.861
420 HG2 PRO 53 HG2 PRO 53 3.942 10.172 1.350
421 HG3 PRO 53 HG3 PRO 53 4.734 11.076 0.046
422 HD2 PRO 53 HD2 PRO 53 6.082 10.152 2.205
423 HD3 PRO 53 HD3 PRO 53 6.534 11.650 1.366
424 H TYR 54 H TYR 54 4.161 10.315 4.143
425 HA TYR 54 HA TYR 54 1.371 10.141 4.846
426 HB2 TYR 54 HB2 TYR 54 2.340 8.067 4.299
427 HB3 TYR 54 HB3 TYR 54 3.762 8.369 5.291
428 HD1 TYR 54 HD2 TYR 54 3.663 8.095 7.724
429 HD2 TYR 54 HD1 TYR 54 0.302 7.216 5.268
430 HE1 TYR 54 HE2 TYR 54 2.632 6.860 9.586
431 HE2 TYR 54 HE1 TYR 54 -0.738 5.980 7.122
432 HH TYR 54 HH TYR 54 -0.633 5.544 9.333
433 H LEU 55 H LEU 55 4.158 11.475 6.241
434 HA LEU 55 HA LEU 55 2.897 11.498 8.904
435 HB2 LEU 55 HB2 LEU 55 5.793 12.057 8.326
436 HB3 LEU 55 HB3 LEU 55 5.040 11.724 9.884
437 HG LEU 55 HG LEU 55 5.042 9.629 7.748
438 HD11 LEU 55 HD11 LEU 55 7.295 10.024 9.703
439 HD12 LEU 55 HD12 LEU 55 7.369 10.521 8.013
440 HD13 LEU 55 HD13 LEU 55 7.171 8.817 8.423
441 HD21 LEU 55 HD21 LEU 55 5.292 9.358 10.731
442 HD22 LEU 55 HD22 LEU 55 4.819 8.132 9.554
443 HD23 LEU 55 HD23 LEU 55 3.733 9.475 9.915
444 H ILE 56 H ILE 56 5.295 13.523 7.214
445 HA ILE 56 HA ILE 56 3.670 15.874 7.939
446 HB ILE 56 HB ILE 56 5.824 15.706 9.192
447 HG12 ILE 56 HG12 ILE 56 5.550 18.028 7.272
448 HG13 ILE 56 HG13 ILE 56 4.752 17.872 8.833
449 HG21 ILE 56 HG21 ILE 56 7.376 16.537 6.829
450 HG22 ILE 56 HG22 ILE 56 7.845 15.537 8.204
451 HG23 ILE 56 HG23 ILE 56 6.905 14.838 6.885
452 HD11 ILE 56 HD11 ILE 56 6.469 19.184 9.472
453 HD12 ILE 56 HD12 ILE 56 7.286 17.629 9.627
454 HD13 ILE 56 HD13 ILE 56 7.531 18.614 8.185
455 H GLN 57 H GLN 57 3.728 17.666 6.480
456 HA GLN 57 HA GLN 57 3.910 16.820 3.712
457 HB2 GLN 57 HB2 GLN 57 2.531 18.926 5.205
458 HB3 GLN 57 HB3 GLN 57 3.189 19.477 3.670
459 HG2 GLN 57 HG2 GLN 57 2.041 17.397 2.681
460 HG3 GLN 57 HG3 GLN 57 1.127 17.376 4.189
461 HE21 GLN 57 HE21 GLN 57 -0.357 17.634 2.060
462 HE22 GLN 57 HE22 GLN 57 -0.904 19.256 1.827
463 HA PRO 58 HA PRO 58 7.630 18.841 2.569
464 HB2 PRO 58 HB2 PRO 58 6.989 20.156 0.281
465 HB3 PRO 58 HB3 PRO 58 7.129 18.396 0.371
466 HG2 PRO 58 HG2 PRO 58 4.674 20.107 0.447
467 HG3 PRO 58 HG3 PRO 58 4.953 18.589 -0.427
468 HD2 PRO 58 HD2 PRO 58 3.587 18.696 1.909
469 HD3 PRO 58 HD3 PRO 58 4.577 17.297 1.444
470 H GLU 59 H GLU 59 4.871 21.070 2.192
471 HA GLU 59 HA GLU 59 6.357 23.445 2.410
472 HB2 GLU 59 HB2 GLU 59 3.526 22.680 2.446
473 HB3 GLU 59 HB3 GLU 59 3.883 24.116 3.395
474 HG2 GLU 59 HG2 GLU 59 4.290 25.372 1.586
475 HG3 GLU 59 HG3 GLU 59 5.115 24.066 0.737
476 H ASP 60 H ASP 60 4.927 21.337 4.820
477 HA ASP 60 HA ASP 60 5.209 23.093 7.028
478 HB2 ASP 60 HB2 ASP 60 4.312 20.398 6.569
479 HB3 ASP 60 HB3 ASP 60 5.384 20.436 7.966
480 H LEU 61 H LEU 61 7.276 20.576 5.652
481 HA LEU 61 HA LEU 61 9.252 20.639 7.671
482 HB2 LEU 61 HB2 LEU 61 10.342 19.105 6.424
483 HB3 LEU 61 HB3 LEU 61 8.774 19.002 5.626
484 HG LEU 61 HG LEU 61 9.864 20.852 4.067
485 HD11 LEU 61 HD11 LEU 61 12.130 19.618 5.515
486 HD12 LEU 61 HD12 LEU 61 11.972 21.226 4.807
487 HD13 LEU 61 HD13 LEU 61 12.310 19.837 3.774
488 HD21 LEU 61 HD21 LEU 61 9.600 19.223 2.583
489 HD22 LEU 61 HD22 LEU 61 9.363 18.099 3.921
490 HD23 LEU 61 HD23 LEU 61 10.974 18.335 3.241
491 H ARG 62 H ARG 62 8.497 22.793 5.128
492 HA ARG 62 HA ARG 62 10.999 23.886 4.531
493 HB2 ARG 62 HB2 ARG 62 8.923 24.360 3.268
494 HB3 ARG 62 HB3 ARG 62 8.336 25.313 4.624
495 HG2 ARG 62 HG2 ARG 62 9.232 27.059 3.577
496 HG3 ARG 62 HG3 ARG 62 10.790 26.430 4.120
497 HD2 ARG 62 HD2 ARG 62 11.273 26.504 1.917
498 HD3 ARG 62 HD3 ARG 62 10.440 24.950 1.904
499 HE ARG 62 HE ARG 62 8.434 26.692 1.477
500 HH11 ARG 62 HH11 ARG 62 11.557 26.287 -0.006
501 HH12 ARG 62 HH12 ARG 62 11.044 26.875 -1.552
502 HH21 ARG 62 HH21 ARG 62 7.746 27.468 -0.555
503 HH22 ARG 62 HH22 ARG 62 8.876 27.547 -1.863
504 H ASP 63 H ASP 63 8.695 24.663 7.098
505 HA ASP 63 HA ASP 63 10.085 26.898 8.122
506 HB2 ASP 63 HB2 ASP 63 8.291 25.032 9.682
507 HB3 ASP 63 HB3 ASP 63 8.647 26.720 10.041
508 H HIS 64 H HIS 64 10.258 23.448 8.815
509 HA HIS 64 HA HIS 64 11.812 23.489 11.114
510 HB2 HIS 64 HB2 HIS 64 10.926 21.402 10.435
511 HB3 HIS 64 HB3 HIS 64 11.653 21.522 8.836
512 HD1 HIS 64 HD1 HIS 64 13.512 22.041 12.083
513 HD2 HIS 64 HD2 HIS 64 13.255 19.298 8.973
514 HE1 HIS 64 HE1 HIS 64 15.391 20.414 12.465
515 H VAL 65 H VAL 65 12.781 23.766 7.734
516 HA VAL 65 HA VAL 65 15.543 23.530 8.032
517 HB VAL 65 HB VAL 65 14.144 25.360 6.080
518 HG11 VAL 65 HG11 VAL 65 16.246 25.825 5.492
519 HG12 VAL 65 HG12 VAL 65 16.898 24.507 6.468
520 HG13 VAL 65 HG13 VAL 65 16.305 24.188 4.837
521 HG21 VAL 65 HG21 VAL 65 13.079 23.436 5.524
522 HG22 VAL 65 HG22 VAL 65 14.579 23.150 4.643
523 HG23 VAL 65 HG23 VAL 65 14.331 22.410 6.224
524 H ASN 66 H ASN 66 13.471 26.402 8.260
525 HA ASN 66 HA ASN 66 15.547 28.267 8.658
526 HB2 ASN 66 HB2 ASN 66 12.697 28.296 8.572
527 HB3 ASN 66 HB3 ASN 66 13.205 29.131 10.038
528 HD21 ASN 66 HD21 ASN 66 13.184 29.156 6.584
529 HD22 ASN 66 HD22 ASN 66 13.793 30.761 6.382
530 H ASP 67 H ASP 67 14.006 26.004 10.770
531 HA ASP 67 HA ASP 67 14.604 27.232 13.244
532 HB2 ASP 67 HB2 ASP 67 13.051 25.197 12.663
533 HB3 ASP 67 HB3 ASP 67 14.511 24.252 12.946
534 H MET 68 H MET 68 16.528 25.515 10.964
535 HA MET 68 HA MET 68 18.575 24.654 12.748
536 HB2 MET 68 HB2 MET 68 18.622 25.113 9.761
537 HB3 MET 68 HB3 MET 68 19.911 24.339 10.673
538 HG2 MET 68 HG2 MET 68 18.689 22.432 11.049
539 HG3 MET 68 HG3 MET 68 17.144 23.256 10.856
540 HE1 MET 68 HE1 MET 68 19.633 24.118 7.761
541 HE2 MET 68 HE2 MET 68 20.391 23.109 8.993
542 HE3 MET 68 HE3 MET 68 20.022 22.435 7.405
543 H GLY 69 H GLY 69 17.696 27.691 11.559
544 HA2 GLY 69 HA2 GLY 69 18.686 29.699 12.327
545 HA3 GLY 69 HA3 GLY 69 20.188 28.826 12.594
546 H PHE 70 H PHE 70 19.549 27.659 9.755
547 HA PHE 70 HA PHE 70 20.854 29.875 8.326
548 HB2 PHE 70 HB2 PHE 70 20.854 26.945 7.582
549 HB3 PHE 70 HB3 PHE 70 21.818 28.223 6.849
550 HD1 PHE 70 HD2 PHE 70 23.712 29.197 8.055
551 HD2 PHE 70 HD1 PHE 70 21.482 25.944 9.657
552 HE1 PHE 70 HE2 PHE 70 25.523 28.750 9.659
553 HE2 PHE 70 HE1 PHE 70 23.289 25.493 11.264
554 HZ PHE 70 HZ PHE 70 25.314 26.895 11.266
555 H GLU 71 H GLU 71 20.419 29.807 5.888
556 HA GLU 71 HA GLU 71 17.521 29.472 5.489
557 HB2 GLU 71 HB2 GLU 71 19.315 31.268 3.867
558 HB3 GLU 71 HB3 GLU 71 17.560 31.290 3.965
559 HG2 GLU 71 HG2 GLU 71 17.724 32.017 6.310
560 HG3 GLU 71 HG3 GLU 71 19.479 32.060 6.151
561 H ALA 72 H ALA 72 16.855 28.024 4.050
562 HA ALA 72 HA ALA 72 18.790 27.045 2.052
563 HB1 ALA 72 HB1 ALA 72 18.073 24.861 2.330
564 HB2 ALA 72 HB2 ALA 72 18.052 25.485 3.980
565 HB3 ALA 72 HB3 ALA 72 16.547 25.348 3.070
566 H ALA 73 H ALA 73 18.112 26.801 -0.037
567 HA ALA 73 HA ALA 73 15.334 27.589 -0.633
568 HB1 ALA 73 HB1 ALA 73 16.415 29.459 -1.381
569 HB2 ALA 73 HB2 ALA 73 17.894 28.583 -1.777
570 HB3 ALA 73 HB3 ALA 73 16.488 28.464 -2.835
571 H ILE 74 H ILE 74 14.270 26.460 -2.207
572 HA ILE 74 HA ILE 74 15.061 23.828 -2.749
573 HB ILE 74 HB ILE 74 13.041 25.510 -4.237
574 HG12 ILE 74 HG12 ILE 74 12.669 23.560 -1.953
575 HG13 ILE 74 HG13 ILE 74 12.611 25.314 -1.807
576 HG21 ILE 74 HG21 ILE 74 13.511 22.536 -4.183
577 HG22 ILE 74 HG22 ILE 74 12.053 23.293 -4.823
578 HG23 ILE 74 HG23 ILE 74 13.615 23.615 -5.574
579 HD11 ILE 74 HD11 ILE 74 10.686 25.330 -3.356
580 HD12 ILE 74 HD12 ILE 74 10.712 23.567 -3.349
581 HD13 ILE 74 HD13 ILE 74 10.381 24.450 -1.859
582 H LYS 75 H LYS 75 16.449 23.017 -4.166
583 HA LYS 75 HA LYS 75 18.072 24.491 -5.840
584 HB2 LYS 75 HB2 LYS 75 18.323 22.060 -5.078
585 HB3 LYS 75 HB3 LYS 75 17.284 21.644 -6.435
586 HG2 LYS 75 HG2 LYS 75 18.867 22.348 -8.009
587 HG3 LYS 75 HG3 LYS 75 19.793 23.245 -6.804
588 HD2 LYS 75 HD2 LYS 75 21.100 21.374 -7.009
589 HD3 LYS 75 HD3 LYS 75 20.028 20.861 -5.704
590 HE2 LYS 75 HE2 LYS 75 18.562 19.817 -7.454
591 HE3 LYS 75 HE3 LYS 75 19.830 20.166 -8.629
592 HZ1 LYS 75 HZ1 LYS 75 20.829 18.302 -8.028
593 HZ2 LYS 75 HZ2 LYS 75 19.638 17.992 -6.868
594 HZ3 LYS 75 HZ3 LYS 75 21.012 18.885 -6.451
595 H SER 76 H SER 76 15.442 22.357 -6.968
596 HA SER 76 HA SER 76 15.241 24.017 -9.383
597 HB2 SER 76 HB2 SER 76 14.306 22.140 -10.500
598 HB3 SER 76 HB3 SER 76 15.644 21.501 -9.546
599 HG SER 76 HG SER 76 12.967 20.993 -9.358
Start of MODEL 20
1 H1 ALA 1 H ALA 1 1.317 8.874 1.105
2 HA ALA 1 HA ALA 1 -0.506 7.467 2.896
3 HB1 ALA 1 HB1 ALA 1 -1.932 8.077 1.299
4 HB2 ALA 1 HB2 ALA 1 -0.627 8.465 0.176
5 HB3 ALA 1 HB3 ALA 1 -1.215 6.808 0.305
6 H GLY 2 H GLY 2 2.196 6.859 0.805
7 HA2 GLY 2 HA2 GLY 2 1.730 3.973 0.832
8 HA3 GLY 2 HA3 GLY 2 2.987 4.814 -0.064
9 H HIS 3 H HIS 3 4.483 3.238 0.723
10 HA HIS 3 HA HIS 3 5.286 3.719 3.518
11 HB2 HIS 3 HB2 HIS 3 5.290 1.172 1.912
12 HB3 HIS 3 HB3 HIS 3 6.314 1.367 3.332
13 HD1 HIS 3 HD1 HIS 3 4.753 2.289 5.519
14 HD2 HIS 3 HD2 HIS 3 2.952 0.004 2.553
15 HE1 HIS 3 HE1 HIS 3 2.669 1.350 6.566
16 H MET 4 H MET 4 6.573 2.514 0.414
17 HA MET 4 HA MET 4 9.186 3.630 1.106
18 HB2 MET 4 HB2 MET 4 8.362 1.841 -1.188
19 HB3 MET 4 HB3 MET 4 10.007 2.359 -0.844
20 HG2 MET 4 HG2 MET 4 9.938 1.187 1.291
21 HG3 MET 4 HG3 MET 4 8.282 0.682 0.964
22 HE1 MET 4 HE1 MET 4 12.225 -0.504 -0.509
23 HE2 MET 4 HE2 MET 4 11.664 0.144 1.032
24 HE3 MET 4 HE3 MET 4 11.666 -1.599 0.756
25 H GLN 5 H GLN 5 6.872 5.295 0.335
26 HA GLN 5 HA GLN 5 7.684 6.339 -2.270
27 HB2 GLN 5 HB2 GLN 5 5.233 5.944 -1.471
28 HB3 GLN 5 HB3 GLN 5 5.449 7.467 -0.619
29 HG2 GLN 5 HG2 GLN 5 4.580 8.260 -2.551
30 HG3 GLN 5 HG3 GLN 5 6.285 8.259 -2.999
31 HE21 GLN 5 HE21 GLN 5 6.868 7.179 -4.755
32 HE22 GLN 5 HE22 GLN 5 5.880 6.056 -5.620
33 H GLU 6 H GLU 6 9.049 6.645 0.498
34 HA GLU 6 HA GLU 6 8.954 9.260 1.382
35 HB2 GLU 6 HB2 GLU 6 11.350 8.891 2.091
36 HB3 GLU 6 HB3 GLU 6 10.201 7.680 2.644
37 HG2 GLU 6 HG2 GLU 6 10.911 6.195 0.826
38 HG3 GLU 6 HG3 GLU 6 12.090 7.402 0.318
39 H ALA 7 H ALA 7 9.903 11.169 0.806
40 HA ALA 7 HA ALA 7 11.459 11.192 -1.694
41 HB1 ALA 7 HB1 ALA 7 10.264 13.007 -2.554
42 HB2 ALA 7 HB2 ALA 7 9.020 11.944 -1.893
43 HB3 ALA 7 HB3 ALA 7 9.525 13.376 -0.995
44 H VAL 8 H VAL 8 12.956 12.924 -1.927
45 HA VAL 8 HA VAL 8 13.664 14.243 0.614
46 HB VAL 8 HB VAL 8 15.641 13.390 -1.499
47 HG11 VAL 8 HG11 VAL 8 16.380 15.241 -0.116
48 HG12 VAL 8 HG12 VAL 8 15.986 14.334 1.345
49 HG13 VAL 8 HG13 VAL 8 17.285 13.782 0.287
50 HG21 VAL 8 HG21 VAL 8 16.137 11.809 0.673
51 HG22 VAL 8 HG22 VAL 8 14.374 11.856 0.646
52 HG23 VAL 8 HG23 VAL 8 15.263 11.303 -0.773
53 H VAL 9 H VAL 9 14.394 16.359 0.526
54 HA VAL 9 HA VAL 9 14.150 17.694 -2.092
55 HB VAL 9 HB VAL 9 13.390 18.903 0.568
56 HG11 VAL 9 HG11 VAL 9 14.016 20.086 -1.883
57 HG12 VAL 9 HG12 VAL 9 12.255 20.128 -1.778
58 HG13 VAL 9 HG13 VAL 9 13.233 20.847 -0.498
59 HG21 VAL 9 HG21 VAL 9 11.852 17.298 -1.373
60 HG22 VAL 9 HG22 VAL 9 11.611 17.521 0.360
61 HG23 VAL 9 HG23 VAL 9 11.065 18.758 -0.772
62 H LYS 10 H LYS 10 15.781 18.992 -2.687
63 HA LYS 10 HA LYS 10 17.931 19.452 -0.728
64 HB2 LYS 10 HB2 LYS 10 19.338 19.802 -2.838
65 HB3 LYS 10 HB3 LYS 10 18.831 18.159 -2.471
66 HG2 LYS 10 HG2 LYS 10 17.078 19.759 -4.242
67 HG3 LYS 10 HG3 LYS 10 18.622 19.208 -4.897
68 HD2 LYS 10 HD2 LYS 10 16.931 17.244 -3.435
69 HD3 LYS 10 HD3 LYS 10 16.434 17.728 -5.059
70 HE2 LYS 10 HE2 LYS 10 19.228 16.806 -4.443
71 HE3 LYS 10 HE3 LYS 10 17.938 15.677 -4.854
72 HZ1 LYS 10 HZ1 LYS 10 17.945 16.312 -6.998
73 HZ2 LYS 10 HZ2 LYS 10 19.527 16.803 -6.658
74 HZ3 LYS 10 HZ3 LYS 10 18.270 17.935 -6.651
75 H LEU 11 H LEU 11 18.479 21.476 -0.200
76 HA LEU 11 HA LEU 11 17.420 23.676 -1.849
77 HB2 LEU 11 HB2 LEU 11 17.603 23.517 1.155
78 HB3 LEU 11 HB3 LEU 11 17.188 24.975 0.254
79 HG LEU 11 HG LEU 11 15.246 23.540 -0.692
80 HD11 LEU 11 HD11 LEU 11 15.067 21.463 0.055
81 HD12 LEU 11 HD12 LEU 11 14.845 22.084 1.690
82 HD13 LEU 11 HD13 LEU 11 16.463 21.692 1.108
83 HD21 LEU 11 HD21 LEU 11 15.220 25.484 0.988
84 HD22 LEU 11 HD22 LEU 11 15.018 24.235 2.217
85 HD23 LEU 11 HD23 LEU 11 13.821 24.412 0.933
86 H ARG 12 H ARG 12 18.698 25.524 -2.045
87 HA ARG 12 HA ARG 12 21.534 25.052 -1.688
88 HB2 ARG 12 HB2 ARG 12 20.166 26.238 -3.675
89 HB3 ARG 12 HB3 ARG 12 20.560 27.658 -2.716
90 HG2 ARG 12 HG2 ARG 12 22.490 27.692 -3.813
91 HG3 ARG 12 HG3 ARG 12 22.949 26.295 -2.838
92 HD2 ARG 12 HD2 ARG 12 21.556 26.163 -5.510
93 HD3 ARG 12 HD3 ARG 12 23.287 25.941 -5.261
94 HE ARG 12 HE ARG 12 22.122 24.120 -3.597
95 HH11 ARG 12 HH11 ARG 12 21.936 24.812 -7.004
96 HH12 ARG 12 HH12 ARG 12 21.607 23.171 -7.453
97 HH21 ARG 12 HH21 ARG 12 21.689 21.956 -4.175
98 HH22 ARG 12 HH22 ARG 12 21.466 21.547 -5.842
99 H VAL 13 H VAL 13 22.603 25.655 0.065
100 HA VAL 13 HA VAL 13 21.430 27.642 1.858
101 HB VAL 13 HB VAL 13 23.915 26.033 2.399
102 HG11 VAL 13 HG11 VAL 13 22.639 28.057 3.796
103 HG12 VAL 13 HG12 VAL 13 22.115 26.578 4.604
104 HG13 VAL 13 HG13 VAL 13 23.836 26.931 4.436
105 HG21 VAL 13 HG21 VAL 13 21.903 24.747 3.749
106 HG22 VAL 13 HG22 VAL 13 21.154 25.108 2.194
107 HG23 VAL 13 HG23 VAL 13 22.657 24.187 2.257
108 H GLU 14 H GLU 14 22.454 29.519 2.475
109 HA GLU 14 HA GLU 14 24.687 30.347 0.755
110 HB2 GLU 14 HB2 GLU 14 22.633 31.705 0.621
111 HB3 GLU 14 HB3 GLU 14 22.752 32.043 2.342
112 HG2 GLU 14 HG2 GLU 14 24.008 33.801 1.899
113 HG3 GLU 14 HG3 GLU 14 25.228 32.744 1.190
114 H GLY 15 H GLY 15 23.774 29.741 4.027
115 HA2 GLY 15 HA2 GLY 15 25.975 31.228 5.179
116 HA3 GLY 15 HA3 GLY 15 24.841 30.200 6.043
117 H MET 16 H MET 16 25.337 28.070 6.415
118 HA MET 16 HA MET 16 26.860 26.446 7.002
119 HB2 MET 16 HB2 MET 16 27.485 25.104 5.144
120 HB3 MET 16 HB3 MET 16 25.947 25.847 4.724
121 HG2 MET 16 HG2 MET 16 28.346 27.329 3.889
122 HG3 MET 16 HG3 MET 16 28.089 25.775 3.100
123 HE1 MET 16 HE1 MET 16 26.943 28.727 0.687
124 HE2 MET 16 HE2 MET 16 27.520 29.407 2.209
125 HE3 MET 16 HE3 MET 16 28.381 28.061 1.461
126 H THR 17 H THR 17 27.952 29.152 7.112
127 HA THR 17 HA THR 17 30.450 29.483 5.999
128 HB THR 17 HB THR 17 29.829 30.255 8.849
129 HG1 THR 17 HG1 THR 17 28.512 31.777 8.117
130 HG21 THR 17 HG21 THR 17 31.138 32.335 7.911
131 HG22 THR 17 HG22 THR 17 31.743 31.158 6.745
132 HG23 THR 17 HG23 THR 17 32.005 30.905 8.470
133 H CYS 18 H CYS 18 29.486 27.407 8.634
134 HA CYS 18 HA CYS 18 32.271 26.470 8.851
135 HB2 CYS 18 HB2 CYS 18 31.085 27.692 10.875
136 HB3 CYS 18 HB3 CYS 18 30.358 26.109 11.118
137 HG CYS 18 HG CYS 18 32.779 26.806 12.696
138 H GLN 19 H GLN 19 32.602 24.240 9.092
139 HA GLN 19 HA GLN 19 30.417 22.617 8.032
140 HB2 GLN 19 HB2 GLN 19 32.217 20.897 7.716
141 HB3 GLN 19 HB3 GLN 19 32.462 22.388 6.817
142 HG2 GLN 19 HG2 GLN 19 34.082 23.146 8.436
143 HG3 GLN 19 HG3 GLN 19 33.783 21.727 9.438
144 HE21 GLN 19 HE21 GLN 19 35.288 22.950 6.570
145 HE22 GLN 19 HE22 GLN 19 36.227 21.545 6.212
146 H SER 20 H SER 20 30.535 23.528 10.842
147 HA SER 20 HA SER 20 30.657 20.897 12.166
148 HB2 SER 20 HB2 SER 20 30.908 23.584 13.529
149 HB3 SER 20 HB3 SER 20 31.222 21.994 14.224
150 HG SER 20 HG SER 20 33.202 22.522 13.661
151 H CYS 21 H CYS 21 28.730 23.649 11.404
152 HA CYS 21 HA CYS 21 26.733 23.431 13.366
153 HB2 CYS 21 HB2 CYS 21 25.307 24.670 11.752
154 HB3 CYS 21 HB3 CYS 21 26.892 25.402 11.967
155 HG CYS 21 HG CYS 21 26.980 25.722 9.399
156 H VAL 22 H VAL 22 27.245 21.731 10.344
157 HA VAL 22 HA VAL 22 24.779 20.596 9.889
158 HB VAL 22 HB VAL 22 27.474 19.271 9.553
159 HG11 VAL 22 HG11 VAL 22 24.744 18.567 8.507
160 HG12 VAL 22 HG12 VAL 22 26.232 17.980 7.762
161 HG13 VAL 22 HG13 VAL 22 25.854 17.557 9.432
162 HG21 VAL 22 HG21 VAL 22 25.805 20.793 7.555
163 HG22 VAL 22 HG22 VAL 22 27.219 21.439 8.387
164 HG23 VAL 22 HG23 VAL 22 27.394 20.079 7.279
165 H SER 23 H SER 23 27.335 19.442 12.064
166 HA SER 23 HA SER 23 26.226 17.052 12.883
167 HB2 SER 23 HB2 SER 23 28.304 18.799 13.789
168 HB3 SER 23 HB3 SER 23 27.370 18.264 15.187
169 HG SER 23 HG SER 23 29.185 16.904 13.816
170 H SER 24 H SER 24 25.516 20.318 14.007
171 HA SER 24 HA SER 24 23.813 19.538 16.142
172 HB2 SER 24 HB2 SER 24 24.088 22.134 14.618
173 HB3 SER 24 HB3 SER 24 23.017 21.934 16.005
174 HG SER 24 HG SER 24 25.811 21.437 16.044
175 H ILE 25 H ILE 25 23.302 20.223 12.738
176 HA ILE 25 HA ILE 25 20.486 20.368 12.792
177 HB ILE 25 HB ILE 25 22.171 19.399 10.485
178 HG12 ILE 25 HG12 ILE 25 23.076 21.511 11.288
179 HG13 ILE 25 HG13 ILE 25 22.224 21.770 9.770
180 HG21 ILE 25 HG21 ILE 25 19.761 19.060 10.240
181 HG22 ILE 25 HG22 ILE 25 19.488 20.771 10.561
182 HG23 ILE 25 HG23 ILE 25 20.359 20.275 9.111
183 HD11 ILE 25 HD11 ILE 25 20.399 22.148 11.918
184 HD12 ILE 25 HD12 ILE 25 21.858 23.090 12.226
185 HD13 ILE 25 HD13 ILE 25 20.966 23.311 10.721
186 H GLU 26 H GLU 26 22.698 17.700 12.859
187 HA GLU 26 HA GLU 26 21.011 15.660 11.916
188 HB2 GLU 26 HB2 GLU 26 23.611 15.845 12.966
189 HB3 GLU 26 HB3 GLU 26 22.758 14.720 14.013
190 HG2 GLU 26 HG2 GLU 26 21.997 13.662 11.743
191 HG3 GLU 26 HG3 GLU 26 23.426 14.488 11.124
192 H GLY 27 H GLY 27 21.365 17.149 15.080
193 HA2 GLY 27 HA2 GLY 27 19.899 15.266 16.577
194 HA3 GLY 27 HA3 GLY 27 20.139 16.952 17.010
195 H LYS 28 H LYS 28 18.877 17.928 14.547
196 HA LYS 28 HA LYS 28 16.248 18.205 15.481
197 HB2 LYS 28 HB2 LYS 28 17.600 18.794 12.869
198 HB3 LYS 28 HB3 LYS 28 15.858 18.981 13.021
199 HG2 LYS 28 HG2 LYS 28 16.754 21.107 13.425
200 HG3 LYS 28 HG3 LYS 28 16.336 20.469 15.017
201 HD2 LYS 28 HD2 LYS 28 19.060 19.835 14.138
202 HD3 LYS 28 HD3 LYS 28 18.747 21.559 14.345
203 HE2 LYS 28 HE2 LYS 28 17.886 19.631 16.458
204 HE3 LYS 28 HE3 LYS 28 19.578 20.117 16.359
205 HZ1 LYS 28 HZ1 LYS 28 17.212 21.769 16.953
206 HZ2 LYS 28 HZ2 LYS 28 18.609 22.484 16.323
207 HZ3 LYS 28 HZ3 LYS 28 18.673 21.658 17.798
208 H VAL 29 H VAL 29 17.642 16.065 13.037
209 HA VAL 29 HA VAL 29 15.352 14.994 11.928
210 HB VAL 29 HB VAL 29 17.989 13.654 12.524
211 HG11 VAL 29 HG11 VAL 29 16.342 11.913 12.339
212 HG12 VAL 29 HG12 VAL 29 15.666 12.649 10.885
213 HG13 VAL 29 HG13 VAL 29 17.288 11.957 10.852
214 HG21 VAL 29 HG21 VAL 29 16.831 14.797 9.983
215 HG22 VAL 29 HG22 VAL 29 18.092 15.536 10.970
216 HG23 VAL 29 HG23 VAL 29 18.402 14.011 10.139
217 H ARG 30 H ARG 30 17.043 13.973 14.878
218 HA ARG 30 HA ARG 30 15.371 11.785 15.469
219 HB2 ARG 30 HB2 ARG 30 17.664 12.394 16.466
220 HB3 ARG 30 HB3 ARG 30 16.767 13.442 17.556
221 HG2 ARG 30 HG2 ARG 30 16.854 11.583 18.845
222 HG3 ARG 30 HG3 ARG 30 15.379 11.218 17.947
223 HD2 ARG 30 HD2 ARG 30 16.487 9.719 16.523
224 HD3 ARG 30 HD3 ARG 30 18.077 10.331 16.976
225 HE ARG 30 HE ARG 30 16.922 9.304 19.278
226 HH11 ARG 30 HH11 ARG 30 17.946 8.141 16.160
227 HH12 ARG 30 HH12 ARG 30 18.321 6.549 16.732
228 HH21 ARG 30 HH21 ARG 30 17.412 7.212 20.043
229 HH22 ARG 30 HH22 ARG 30 18.016 6.021 18.941
230 H LYS 31 H LYS 31 14.970 15.190 15.873
231 HA LYS 31 HA LYS 31 12.766 14.873 17.753
232 HB2 LYS 31 HB2 LYS 31 13.887 17.385 16.496
233 HB3 LYS 31 HB3 LYS 31 12.716 17.316 17.807
234 HG2 LYS 31 HG2 LYS 31 15.563 16.340 17.921
235 HG3 LYS 31 HG3 LYS 31 14.937 17.824 18.643
236 HD2 LYS 31 HD2 LYS 31 14.051 15.026 19.346
237 HD3 LYS 31 HD3 LYS 31 15.166 16.014 20.292
238 HE2 LYS 31 HE2 LYS 31 13.143 17.736 20.129
239 HE3 LYS 31 HE3 LYS 31 12.226 16.240 19.961
240 HZ1 LYS 31 HZ1 LYS 31 12.941 17.349 22.305
241 HZ2 LYS 31 HZ2 LYS 31 14.170 16.206 22.091
242 HZ3 LYS 31 HZ3 LYS 31 12.550 15.716 22.095
243 H LEU 32 H LEU 32 13.280 15.031 14.402
244 HA LEU 32 HA LEU 32 10.782 16.236 13.677
245 HB2 LEU 32 HB2 LEU 32 13.092 15.062 12.302
246 HB3 LEU 32 HB3 LEU 32 11.554 14.835 11.472
247 HG LEU 32 HG LEU 32 12.733 16.798 10.640
248 HD11 LEU 32 HD11 LEU 32 10.175 16.660 10.952
249 HD12 LEU 32 HD12 LEU 32 10.904 18.221 10.579
250 HD13 LEU 32 HD13 LEU 32 10.427 17.844 12.234
251 HD21 LEU 32 HD21 LEU 32 12.663 17.624 13.527
252 HD22 LEU 32 HD22 LEU 32 12.853 18.793 12.220
253 HD23 LEU 32 HD23 LEU 32 14.051 17.518 12.444
254 H GLN 33 H GLN 33 8.875 15.284 13.156
255 HA GLN 33 HA GLN 33 8.496 12.551 14.029
256 HB2 GLN 33 HB2 GLN 33 6.865 14.275 14.650
257 HB3 GLN 33 HB3 GLN 33 6.517 14.567 12.951
258 HG2 GLN 33 HG2 GLN 33 5.605 12.348 12.713
259 HG3 GLN 33 HG3 GLN 33 6.052 11.956 14.372
260 HE21 GLN 33 HE21 GLN 33 3.608 11.454 14.084
261 HE22 GLN 33 HE22 GLN 33 2.543 12.703 14.622
262 H GLY 34 H GLY 34 7.973 14.401 11.030
263 HA2 GLY 34 HA2 GLY 34 7.455 11.950 9.554
264 HA3 GLY 34 HA3 GLY 34 7.391 13.586 8.917
265 H VAL 35 H VAL 35 9.784 14.638 9.266
266 HA VAL 35 HA VAL 35 11.371 13.731 7.255
267 HB VAL 35 HB VAL 35 11.676 15.600 9.382
268 HG11 VAL 35 HG11 VAL 35 14.144 13.946 8.861
269 HG12 VAL 35 HG12 VAL 35 14.094 15.463 9.761
270 HG13 VAL 35 HG13 VAL 35 13.255 14.040 10.381
271 HG21 VAL 35 HG21 VAL 35 11.759 15.924 6.879
272 HG22 VAL 35 HG22 VAL 35 12.990 16.783 7.805
273 HG23 VAL 35 HG23 VAL 35 13.409 15.304 6.940
274 H VAL 36 H VAL 36 12.866 12.178 6.925
275 HA VAL 36 HA VAL 36 13.165 10.149 8.997
276 HB VAL 36 HB VAL 36 14.333 9.963 6.237
277 HG11 VAL 36 HG11 VAL 36 14.329 8.283 8.449
278 HG12 VAL 36 HG12 VAL 36 13.114 7.598 7.368
279 HG13 VAL 36 HG13 VAL 36 14.763 7.851 6.795
280 HG21 VAL 36 HG21 VAL 36 12.096 10.569 5.764
281 HG22 VAL 36 HG22 VAL 36 12.169 8.813 5.609
282 HG23 VAL 36 HG23 VAL 36 11.468 9.542 7.053
283 H ARG 37 H ARG 37 15.208 12.180 6.918
284 HA ARG 37 HA ARG 37 17.188 12.478 8.939
285 HB2 ARG 37 HB2 ARG 37 17.426 10.156 7.374
286 HB3 ARG 37 HB3 ARG 37 18.623 11.278 6.741
287 HG2 ARG 37 HG2 ARG 37 19.412 11.591 9.114
288 HG3 ARG 37 HG3 ARG 37 18.375 10.230 9.545
289 HD2 ARG 37 HD2 ARG 37 20.044 9.661 7.238
290 HD3 ARG 37 HD3 ARG 37 20.994 10.095 8.659
291 HE ARG 37 HE ARG 37 18.968 8.183 9.269
292 HH11 ARG 37 HH11 ARG 37 22.147 8.561 7.900
293 HH12 ARG 37 HH12 ARG 37 22.641 6.942 8.269
294 HH21 ARG 37 HH21 ARG 37 19.607 6.049 9.761
295 HH22 ARG 37 HH22 ARG 37 21.195 5.514 9.327
296 H VAL 38 H VAL 38 18.955 13.867 8.262
297 HA VAL 38 HA VAL 38 18.414 15.316 5.756
298 HB VAL 38 HB VAL 38 19.011 17.426 6.881
299 HG11 VAL 38 HG11 VAL 38 16.923 17.274 8.553
300 HG12 VAL 38 HG12 VAL 38 16.749 17.373 6.800
301 HG13 VAL 38 HG13 VAL 38 16.647 15.810 7.611
302 HG21 VAL 38 HG21 VAL 38 20.243 17.159 8.745
303 HG22 VAL 38 HG22 VAL 38 18.676 17.060 9.547
304 HG23 VAL 38 HG23 VAL 38 19.538 15.585 9.111
305 H LYS 39 H LYS 39 20.125 15.496 4.470
306 HA LYS 39 HA LYS 39 22.797 15.059 5.634
307 HB2 LYS 39 HB2 LYS 39 21.996 13.312 4.037
308 HB3 LYS 39 HB3 LYS 39 21.923 14.546 2.786
309 HG2 LYS 39 HG2 LYS 39 24.411 14.937 3.348
310 HG3 LYS 39 HG3 LYS 39 24.317 13.353 4.122
311 HD2 LYS 39 HD2 LYS 39 23.227 13.613 1.371
312 HD3 LYS 39 HD3 LYS 39 24.981 13.645 1.564
313 HE2 LYS 39 HE2 LYS 39 24.516 11.539 3.074
314 HE3 LYS 39 HE3 LYS 39 23.041 11.449 2.112
315 HZ1 LYS 39 HZ1 LYS 39 24.318 10.318 0.690
316 HZ2 LYS 39 HZ2 LYS 39 25.766 10.881 1.359
317 HZ3 LYS 39 HZ3 LYS 39 24.930 11.828 0.233
318 H VAL 40 H VAL 40 24.132 16.736 5.606
319 HA VAL 40 HA VAL 40 23.598 18.925 3.707
320 HB VAL 40 HB VAL 40 25.101 19.139 6.316
321 HG11 VAL 40 HG11 VAL 40 25.687 20.853 4.715
322 HG12 VAL 40 HG12 VAL 40 23.983 21.213 4.432
323 HG13 VAL 40 HG13 VAL 40 24.709 21.556 6.003
324 HG21 VAL 40 HG21 VAL 40 23.026 20.296 7.126
325 HG22 VAL 40 HG22 VAL 40 22.201 19.675 5.697
326 HG23 VAL 40 HG23 VAL 40 22.862 18.556 6.889
327 H SER 41 H SER 41 25.142 19.521 2.307
328 HA SER 41 HA SER 41 27.761 18.193 2.531
329 HB2 SER 41 HB2 SER 41 26.328 17.616 0.537
330 HB3 SER 41 HB3 SER 41 26.498 19.291 0.012
331 HG SER 41 HG SER 41 28.173 17.277 -0.383
332 H LEU 42 H LEU 42 29.160 19.576 3.422
333 HA LEU 42 HA LEU 42 28.972 22.397 3.217
334 HB2 LEU 42 HB2 LEU 42 30.935 22.487 4.489
335 HB3 LEU 42 HB3 LEU 42 30.089 21.044 5.044
336 HG LEU 42 HG LEU 42 31.724 19.977 3.166
337 HD11 LEU 42 HD11 LEU 42 32.692 22.541 3.362
338 HD12 LEU 42 HD12 LEU 42 33.583 21.140 2.768
339 HD13 LEU 42 HD13 LEU 42 33.739 21.634 4.454
340 HD21 LEU 42 HD21 LEU 42 31.329 19.687 5.808
341 HD22 LEU 42 HD22 LEU 42 32.960 20.358 5.819
342 HD23 LEU 42 HD23 LEU 42 32.622 18.877 4.922
343 H SER 43 H SER 43 30.610 19.946 1.357
344 HA SER 43 HA SER 43 32.399 21.690 -0.007
345 HB2 SER 43 HB2 SER 43 33.040 19.828 -1.252
346 HB3 SER 43 HB3 SER 43 32.453 19.087 0.238
347 HG SER 43 HG SER 43 31.021 18.095 -0.916
348 H ASN 44 H ASN 44 29.094 20.693 -0.508
349 HA ASN 44 HA ASN 44 29.023 22.057 -3.102
350 HB2 ASN 44 HB2 ASN 44 27.794 19.708 -2.134
351 HB3 ASN 44 HB3 ASN 44 26.503 20.885 -2.352
352 HD21 ASN 44 HD21 ASN 44 25.650 21.001 -4.294
353 HD22 ASN 44 HD22 ASN 44 26.393 20.484 -5.765
354 H GLN 45 H GLN 45 28.613 22.806 0.059
355 HA GLN 45 HA GLN 45 27.490 24.408 1.230
356 HB2 GLN 45 HB2 GLN 45 27.657 25.676 -1.503
357 HB3 GLN 45 HB3 GLN 45 27.076 26.534 -0.083
358 HG2 GLN 45 HG2 GLN 45 29.223 26.192 1.015
359 HG3 GLN 45 HG3 GLN 45 29.808 25.310 -0.395
360 HE21 GLN 45 HE21 GLN 45 30.664 27.845 0.941
361 HE22 GLN 45 HE22 GLN 45 30.721 29.013 -0.330
362 H GLU 46 H GLU 46 25.841 22.322 0.373
363 HA GLU 46 HA GLU 46 23.296 23.757 0.046
364 HB2 GLU 46 HB2 GLU 46 22.492 22.294 -1.563
365 HB3 GLU 46 HB3 GLU 46 24.177 22.468 -2.034
366 HG2 GLU 46 HG2 GLU 46 24.449 20.356 -0.462
367 HG3 GLU 46 HG3 GLU 46 22.755 20.134 -0.894
368 H ALA 47 H ALA 47 21.404 22.372 0.717
369 HA ALA 47 HA ALA 47 22.135 20.538 2.900
370 HB1 ALA 47 HB1 ALA 47 20.371 21.491 4.294
371 HB2 ALA 47 HB2 ALA 47 21.577 22.706 3.870
372 HB3 ALA 47 HB3 ALA 47 20.020 22.683 3.042
373 H VAL 48 H VAL 48 21.144 18.635 2.777
374 HA VAL 48 HA VAL 48 18.787 18.400 1.030
375 HB VAL 48 HB VAL 48 20.592 16.152 1.919
376 HG11 VAL 48 HG11 VAL 48 19.248 15.819 -0.605
377 HG12 VAL 48 HG12 VAL 48 19.186 14.809 0.841
378 HG13 VAL 48 HG13 VAL 48 18.088 16.180 0.674
379 HG21 VAL 48 HG21 VAL 48 22.041 17.507 0.681
380 HG22 VAL 48 HG22 VAL 48 21.438 16.338 -0.495
381 HG23 VAL 48 HG23 VAL 48 20.778 17.973 -0.460
382 H ILE 49 H ILE 49 16.892 17.747 1.842
383 HA ILE 49 HA ILE 49 16.857 16.685 4.591
384 HB ILE 49 HB ILE 49 14.708 18.419 3.375
385 HG12 ILE 49 HG12 ILE 49 15.731 19.964 5.319
386 HG13 ILE 49 HG13 ILE 49 17.193 19.097 4.858
387 HG21 ILE 49 HG21 ILE 49 13.542 17.503 5.052
388 HG22 ILE 49 HG22 ILE 49 14.990 16.898 5.855
389 HG23 ILE 49 HG23 ILE 49 14.485 18.571 6.092
390 HD11 ILE 49 HD11 ILE 49 16.459 21.373 3.718
391 HD12 ILE 49 HD12 ILE 49 17.315 20.108 2.837
392 HD13 ILE 49 HD13 ILE 49 15.566 20.262 2.680
393 H THR 50 H THR 50 16.189 14.652 4.618
394 HA THR 50 HA THR 50 14.455 13.671 2.472
395 HB THR 50 HB THR 50 15.920 12.089 4.593
396 HG1 THR 50 HG1 THR 50 17.492 11.797 3.073
397 HG21 THR 50 HG21 THR 50 14.724 10.352 3.878
398 HG22 THR 50 HG22 THR 50 15.389 10.581 2.261
399 HG23 THR 50 HG23 THR 50 13.884 11.378 2.717
400 H TYR 51 H TYR 51 12.351 13.418 2.798
401 HA TYR 51 HA TYR 51 11.385 12.817 5.504
402 HB2 TYR 51 HB2 TYR 51 9.779 14.502 5.509
403 HB3 TYR 51 HB3 TYR 51 11.163 15.305 4.776
404 HD1 TYR 51 HD1 TYR 51 11.210 14.824 2.064
405 HD2 TYR 51 HD2 TYR 51 7.760 15.024 4.546
406 HE1 TYR 51 HE1 TYR 51 9.841 15.403 0.104
407 HE2 TYR 51 HE2 TYR 51 6.381 15.602 2.593
408 HH TYR 51 HH TYR 51 6.978 15.058 -0.307
409 H GLN 52 H GLN 52 8.895 12.329 5.322
410 HA GLN 52 HA GLN 52 8.487 10.614 2.961
411 HB2 GLN 52 HB2 GLN 52 8.896 9.642 5.439
412 HB3 GLN 52 HB3 GLN 52 7.153 9.869 5.500
413 HG2 GLN 52 HG2 GLN 52 6.756 8.308 3.850
414 HG3 GLN 52 HG3 GLN 52 8.384 8.441 3.189
415 HE21 GLN 52 HE21 GLN 52 10.143 7.649 4.606
416 HE22 GLN 52 HE22 GLN 52 9.840 6.241 5.560
417 HA PRO 53 HA PRO 53 4.798 12.962 2.358
418 HB2 PRO 53 HB2 PRO 53 3.574 11.287 0.606
419 HB3 PRO 53 HB3 PRO 53 4.939 12.316 0.158
420 HG2 PRO 53 HG2 PRO 53 4.914 9.410 0.873
421 HG3 PRO 53 HG3 PRO 53 5.792 10.234 -0.429
422 HD2 PRO 53 HD2 PRO 53 6.973 9.519 1.900
423 HD3 PRO 53 HD3 PRO 53 7.460 10.961 0.986
424 H TYR 54 H TYR 54 4.810 9.661 3.469
425 HA TYR 54 HA TYR 54 1.991 9.583 4.058
426 HB2 TYR 54 HB2 TYR 54 2.872 7.468 3.591
427 HB3 TYR 54 HB3 TYR 54 4.310 7.744 4.568
428 HD1 TYR 54 HD2 TYR 54 4.205 7.545 7.017
429 HD2 TYR 54 HD1 TYR 54 0.833 6.663 4.577
430 HE1 TYR 54 HE2 TYR 54 3.151 6.376 8.907
431 HE2 TYR 54 HE1 TYR 54 -0.231 5.493 6.461
432 HH TYR 54 HH TYR 54 1.301 5.381 9.656
433 H LEU 55 H LEU 55 4.741 10.864 5.562
434 HA LEU 55 HA LEU 55 3.431 10.856 8.196
435 HB2 LEU 55 HB2 LEU 55 6.290 11.582 7.602
436 HB3 LEU 55 HB3 LEU 55 5.564 11.259 9.175
437 HG LEU 55 HG LEU 55 5.735 9.125 7.071
438 HD11 LEU 55 HD11 LEU 55 7.808 9.469 9.204
439 HD12 LEU 55 HD12 LEU 55 7.990 10.235 7.627
440 HD13 LEU 55 HD13 LEU 55 7.863 8.480 7.745
441 HD21 LEU 55 HD21 LEU 55 5.399 9.191 10.059
442 HD22 LEU 55 HD22 LEU 55 5.824 7.722 9.180
443 HD23 LEU 55 HD23 LEU 55 4.296 8.539 8.846
444 H ILE 56 H ILE 56 5.705 13.047 6.544
445 HA ILE 56 HA ILE 56 3.879 15.270 7.182
446 HB ILE 56 HB ILE 56 5.907 15.254 8.634
447 HG12 ILE 56 HG12 ILE 56 5.730 17.570 6.693
448 HG13 ILE 56 HG13 ILE 56 4.699 17.340 8.101
449 HG21 ILE 56 HG21 ILE 56 8.009 15.173 7.847
450 HG22 ILE 56 HG22 ILE 56 7.252 14.502 6.403
451 HG23 ILE 56 HG23 ILE 56 7.645 16.220 6.475
452 HD11 ILE 56 HD11 ILE 56 6.961 17.304 9.392
453 HD12 ILE 56 HD12 ILE 56 7.561 18.137 7.957
454 HD13 ILE 56 HD13 ILE 56 6.240 18.834 8.894
455 H GLN 57 H GLN 57 3.989 17.104 5.755
456 HA GLN 57 HA GLN 57 4.434 16.297 3.006
457 HB2 GLN 57 HB2 GLN 57 2.865 18.341 4.397
458 HB3 GLN 57 HB3 GLN 57 3.620 18.925 2.920
459 HG2 GLN 57 HG2 GLN 57 2.630 16.811 1.837
460 HG3 GLN 57 HG3 GLN 57 1.602 16.747 3.267
461 HE21 GLN 57 HE21 GLN 57 1.525 17.599 0.204
462 HE22 GLN 57 HE22 GLN 57 0.457 18.956 0.254
463 HA PRO 58 HA PRO 58 8.163 18.457 2.191
464 HB2 PRO 58 HB2 PRO 58 7.671 19.752 -0.144
465 HB3 PRO 58 HB3 PRO 58 7.870 17.998 -0.041
466 HG2 PRO 58 HG2 PRO 58 5.353 19.614 -0.177
467 HG3 PRO 58 HG3 PRO 58 5.765 18.111 -1.023
468 HD2 PRO 58 HD2 PRO 58 4.200 18.159 1.187
469 HD3 PRO 58 HD3 PRO 58 5.279 16.800 0.810
470 H GLU 59 H GLU 59 5.349 20.568 1.613
471 HA GLU 59 HA GLU 59 6.704 23.008 1.921
472 HB2 GLU 59 HB2 GLU 59 3.832 22.176 2.127
473 HB3 GLU 59 HB3 GLU 59 4.303 23.808 2.580
474 HG2 GLU 59 HG2 GLU 59 5.367 24.009 0.307
475 HG3 GLU 59 HG3 GLU 59 4.574 22.489 -0.104
476 H ASP 60 H ASP 60 5.149 20.878 4.252
477 HA ASP 60 HA ASP 60 5.297 22.646 6.462
478 HB2 ASP 60 HB2 ASP 60 4.342 20.015 5.962
479 HB3 ASP 60 HB3 ASP 60 5.434 19.931 7.341
480 H LEU 61 H LEU 61 7.424 20.073 5.280
481 HA LEU 61 HA LEU 61 9.285 20.237 7.412
482 HB2 LEU 61 HB2 LEU 61 10.387 18.582 6.354
483 HB3 LEU 61 HB3 LEU 61 8.878 18.468 5.452
484 HG LEU 61 HG LEU 61 10.101 20.145 3.832
485 HD11 LEU 61 HD11 LEU 61 12.190 19.337 5.668
486 HD12 LEU 61 HD12 LEU 61 12.193 20.598 4.436
487 HD13 LEU 61 HD13 LEU 61 12.583 18.935 3.997
488 HD21 LEU 61 HD21 LEU 61 9.507 17.480 3.792
489 HD22 LEU 61 HD22 LEU 61 11.246 17.473 3.497
490 HD23 LEU 61 HD23 LEU 61 10.175 18.393 2.439
491 H ARG 62 H ARG 62 8.838 22.036 4.478
492 HA ARG 62 HA ARG 62 11.398 23.100 4.130
493 HB2 ARG 62 HB2 ARG 62 9.747 23.389 2.415
494 HB3 ARG 62 HB3 ARG 62 8.676 24.249 3.514
495 HG2 ARG 62 HG2 ARG 62 9.886 26.193 3.395
496 HG3 ARG 62 HG3 ARG 62 11.383 25.362 2.970
497 HD2 ARG 62 HD2 ARG 62 10.965 25.995 0.871
498 HD3 ARG 62 HD3 ARG 62 9.712 24.754 0.870
499 HE ARG 62 HE ARG 62 8.869 27.320 1.888
500 HH11 ARG 62 HH11 ARG 62 9.191 25.278 -0.913
501 HH12 ARG 62 HH12 ARG 62 7.967 26.106 -1.818
502 HH21 ARG 62 HH21 ARG 62 7.257 28.418 0.706
503 HH22 ARG 62 HH22 ARG 62 6.869 27.893 -0.897
504 H ASP 63 H ASP 63 8.698 24.211 6.130
505 HA ASP 63 HA ASP 63 9.913 26.604 7.012
506 HB2 ASP 63 HB2 ASP 63 7.860 24.964 8.507
507 HB3 ASP 63 HB3 ASP 63 8.172 26.689 8.675
508 H HIS 64 H HIS 64 10.057 23.291 8.144
509 HA HIS 64 HA HIS 64 11.261 23.823 10.653
510 HB2 HIS 64 HB2 HIS 64 10.181 21.620 9.572
511 HB3 HIS 64 HB3 HIS 64 11.879 21.272 9.259
512 HD1 HIS 64 HD1 HIS 64 13.178 22.246 11.824
513 HD2 HIS 64 HD2 HIS 64 9.627 20.090 11.738
514 HE1 HIS 64 HE1 HIS 64 12.982 21.182 14.095
515 H VAL 65 H VAL 65 12.547 23.222 7.428
516 HA VAL 65 HA VAL 65 15.242 22.883 8.081
517 HB VAL 65 HB VAL 65 14.130 24.200 5.599
518 HG11 VAL 65 HG11 VAL 65 16.810 23.055 6.304
519 HG12 VAL 65 HG12 VAL 65 16.263 23.142 4.628
520 HG13 VAL 65 HG13 VAL 65 16.425 24.617 5.582
521 HG21 VAL 65 HG21 VAL 65 14.747 21.658 4.882
522 HG22 VAL 65 HG22 VAL 65 14.164 21.412 6.528
523 HG23 VAL 65 HG23 VAL 65 13.132 22.200 5.335
524 H ASN 66 H ASN 66 13.428 25.844 7.339
525 HA ASN 66 HA ASN 66 15.624 27.605 7.530
526 HB2 ASN 66 HB2 ASN 66 13.759 28.488 6.423
527 HB3 ASN 66 HB3 ASN 66 12.645 27.961 7.681
528 HD21 ASN 66 HD21 ASN 66 14.890 30.384 6.669
529 HD22 ASN 66 HD22 ASN 66 14.523 31.538 7.902
530 H ASP 67 H ASP 67 13.471 26.223 9.905
531 HA ASP 67 HA ASP 67 13.902 27.958 12.045
532 HB2 ASP 67 HB2 ASP 67 12.325 25.869 11.775
533 HB3 ASP 67 HB3 ASP 67 13.672 25.011 12.520
534 H MET 68 H MET 68 16.001 25.651 10.585
535 HA MET 68 HA MET 68 17.723 25.149 12.766
536 HB2 MET 68 HB2 MET 68 18.296 25.100 9.798
537 HB3 MET 68 HB3 MET 68 19.349 24.435 11.040
538 HG2 MET 68 HG2 MET 68 17.931 22.676 11.492
539 HG3 MET 68 HG3 MET 68 16.521 23.511 10.844
540 HE1 MET 68 HE1 MET 68 17.167 20.532 10.335
541 HE2 MET 68 HE2 MET 68 15.811 21.217 9.439
542 HE3 MET 68 HE3 MET 68 17.048 20.286 8.593
543 H GLY 69 H GLY 69 17.191 27.945 10.935
544 HA2 GLY 69 HA2 GLY 69 18.122 30.048 11.344
545 HA3 GLY 69 HA3 GLY 69 19.404 29.276 12.266
546 H PHE 70 H PHE 70 18.473 28.377 8.999
547 HA PHE 70 HA PHE 70 21.087 29.367 8.068
548 HB2 PHE 70 HB2 PHE 70 19.518 26.919 7.260
549 HB3 PHE 70 HB3 PHE 70 20.859 27.544 6.305
550 HD1 PHE 70 HD1 PHE 70 20.115 26.650 9.853
551 HD2 PHE 70 HD2 PHE 70 22.914 26.597 6.647
552 HE1 PHE 70 HE1 PHE 70 21.695 25.392 11.258
553 HE2 PHE 70 HE2 PHE 70 24.499 25.339 8.047
554 HZ PHE 70 HZ PHE 70 23.891 24.736 10.356
555 H GLU 71 H GLU 71 20.975 29.393 5.475
556 HA GLU 71 HA GLU 71 18.689 31.131 4.835
557 HB2 GLU 71 HB2 GLU 71 21.215 31.886 4.736
558 HB3 GLU 71 HB3 GLU 71 21.175 31.073 3.178
559 HG2 GLU 71 HG2 GLU 71 20.729 33.347 2.762
560 HG3 GLU 71 HG3 GLU 71 19.191 32.500 2.600
561 H ALA 72 H ALA 72 19.414 28.053 4.509
562 HA ALA 72 HA ALA 72 19.482 27.251 1.917
563 HB1 ALA 72 HB1 ALA 72 17.692 25.470 2.833
564 HB2 ALA 72 HB2 ALA 72 19.407 25.425 3.242
565 HB3 ALA 72 HB3 ALA 72 18.253 26.149 4.361
566 H ALA 73 H ALA 73 18.147 27.167 0.181
567 HA ALA 73 HA ALA 73 15.370 28.057 0.499
568 HB1 ALA 73 HB1 ALA 73 17.505 29.454 -0.945
569 HB2 ALA 73 HB2 ALA 73 16.016 29.233 -1.864
570 HB3 ALA 73 HB3 ALA 73 15.976 30.061 -0.307
571 H ILE 74 H ILE 74 13.939 27.338 -1.123
572 HA ILE 74 HA ILE 74 14.269 24.764 -2.041
573 HB ILE 74 HB ILE 74 12.571 26.840 -3.423
574 HG12 ILE 74 HG12 ILE 74 10.989 25.361 -1.647
575 HG13 ILE 74 HG13 ILE 74 12.430 25.782 -0.729
576 HG21 ILE 74 HG21 ILE 74 11.562 24.116 -3.123
577 HG22 ILE 74 HG22 ILE 74 11.599 25.163 -4.540
578 HG23 ILE 74 HG23 ILE 74 13.027 24.228 -4.098
579 HD11 ILE 74 HD11 ILE 74 10.302 27.519 -1.828
580 HD12 ILE 74 HD12 ILE 74 11.160 27.604 -0.289
581 HD13 ILE 74 HD13 ILE 74 11.942 28.164 -1.766
582 H LYS 75 H LYS 75 15.485 23.871 -3.560
583 HA LYS 75 HA LYS 75 17.150 25.376 -5.275
584 HB2 LYS 75 HB2 LYS 75 17.781 23.151 -4.516
585 HB3 LYS 75 HB3 LYS 75 16.402 22.447 -5.350
586 HG2 LYS 75 HG2 LYS 75 17.410 23.357 -7.489
587 HG3 LYS 75 HG3 LYS 75 18.868 23.671 -6.544
588 HD2 LYS 75 HD2 LYS 75 19.393 21.473 -6.377
589 HD3 LYS 75 HD3 LYS 75 17.704 20.967 -6.290
590 HE2 LYS 75 HE2 LYS 75 18.624 20.150 -8.342
591 HE3 LYS 75 HE3 LYS 75 17.504 21.457 -8.725
592 HZ1 LYS 75 HZ1 LYS 75 19.609 22.908 -8.667
593 HZ2 LYS 75 HZ2 LYS 75 19.333 21.937 -10.024
594 HZ3 LYS 75 HZ3 LYS 75 20.448 21.450 -8.848
595 H SER 76 H SER 76 14.800 22.941 -6.370
596 HA SER 76 HA SER 76 13.812 24.842 -8.372
597 HB2 SER 76 HB2 SER 76 15.384 23.668 -9.678
598 HB3 SER 76 HB3 SER 76 15.005 22.128 -8.907
599 HG SER 76 HG SER 76 14.016 22.130 -10.890
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