Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20343 | 2fk4 RC | 6407 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 1 HT1 ALA 1 53.454 -3.275 -7.500
2 HA ALA 1 HA ALA 1 55.064 -0.857 -8.069
3 1HB ALA 1 HB1 ALA 1 56.425 -3.012 -8.048
4 2HB ALA 1 HB2 ALA 1 56.399 -2.146 -9.583
5 3HB ALA 1 HB3 ALA 1 55.387 -3.572 -9.360
6 H MET 2 HN MET 2 54.685 -2.734 -10.730
7 HA MET 2 HA MET 2 52.879 -0.956 -11.979
8 1HB MET 2 HB2 MET 2 54.437 -2.539 -13.152
9 2HB MET 2 HB1 MET 2 53.339 -3.855 -12.731
10 1HG MET 2 HG2 MET 2 51.499 -2.613 -13.903
11 2HG MET 2 HG1 MET 2 52.698 -1.434 -14.438
12 1HE MET 2 HE1 MET 2 55.322 -3.426 -14.990
13 2HE MET 2 HE2 MET 2 54.720 -1.889 -15.605
14 3HE MET 2 HE3 MET 2 55.042 -3.211 -16.724
15 H SER 3 HN SER 3 52.185 -4.077 -10.313
16 HA SER 3 HA SER 3 49.429 -4.145 -11.105
17 1HB SER 3 HB2 SER 3 50.570 -5.049 -8.443
18 2HB SER 3 HB1 SER 3 49.069 -5.596 -9.184
19 HG SER 3 HG SER 3 50.289 -6.514 -10.850
20 H TYR 4 HN TYR 4 51.032 -2.781 -8.218
21 HA TYR 4 HA TYR 4 49.146 -0.564 -8.205
22 1HB TYR 4 HB2 TYR 4 47.816 -2.339 -7.092
23 2HB TYR 4 HB1 TYR 4 49.075 -2.505 -5.875
24 HD1 TYR 4 HD1 TYR 4 49.349 -0.866 -4.127
25 HD2 TYR 4 HD2 TYR 4 46.556 -0.224 -7.319
26 HE1 TYR 4 HE1 TYR 4 48.385 1.042 -2.890
27 HE2 TYR 4 HE2 TYR 4 45.580 1.686 -6.080
28 HH TYR 4 HH TYR 4 47.098 3.042 -3.303
29 H SER 5 HN SER 5 49.904 1.154 -6.756
30 HA SER 5 HA SER 5 52.212 0.632 -5.047
31 1HB SER 5 HB2 SER 5 53.832 1.925 -6.305
32 2HB SER 5 HB1 SER 5 53.205 0.637 -7.318
33 HG SER 5 HG SER 5 53.231 2.642 -8.412
34 H LEU 6 HN LEU 6 52.822 2.543 -3.781
35 HA LEU 6 HA LEU 6 50.749 4.703 -3.975
36 1HB LEU 6 HB2 LEU 6 52.449 3.919 -1.585
37 2HB LEU 6 HB1 LEU 6 51.165 5.129 -1.599
38 HG LEU 6 HG LEU 6 50.839 2.156 -2.098
39 1HD1 LEU 6 HD11 LEU 6 50.783 2.209 0.181
40 2HD1 LEU 6 HD12 LEU 6 49.158 2.849 -0.061
41 3HD1 LEU 6 HD13 LEU 6 50.504 3.950 0.231
42 1HD2 LEU 6 HD21 LEU 6 48.327 3.050 -1.903
43 2HD2 LEU 6 HD22 LEU 6 49.171 3.014 -3.452
44 3HD2 LEU 6 HD23 LEU 6 49.064 4.521 -2.541
45 H TYR 7 HN TYR 7 51.725 6.341 -5.191
46 HA TYR 7 HA TYR 7 54.566 6.770 -5.236
47 1HB TYR 7 HB2 TYR 7 53.058 7.565 -7.051
48 2HB TYR 7 HB1 TYR 7 52.417 8.783 -5.941
49 HD1 TYR 7 HD1 TYR 7 55.462 7.621 -7.705
50 HD2 TYR 7 HD2 TYR 7 53.686 10.734 -5.339
51 HE1 TYR 7 HE1 TYR 7 57.406 9.086 -8.174
52 HE2 TYR 7 HE2 TYR 7 55.628 12.200 -5.812
53 HH TYR 7 HH TYR 7 57.769 11.692 -8.238
54 H GLY 8 HN GLY 8 51.951 8.307 -3.407
55 1HA GLY 8 HA2 GLY 8 53.792 9.120 -1.316
56 2HA GLY 8 HA1 GLY 8 53.236 10.478 -2.293
57 H THR 9 HN THR 9 52.322 11.115 -0.146
58 HA THR 9 HA THR 9 50.317 9.740 1.248
59 HB THR 9 HB THR 9 50.485 12.731 0.825
60 HG1 THR 9 HG1 THR 9 51.632 11.183 2.889
61 1HG2 THR 9 HG21 THR 9 49.612 12.545 3.288
62 2HG2 THR 9 HG22 THR 9 49.089 10.937 2.788
63 3HG2 THR 9 HG23 THR 9 48.474 12.364 1.953
64 H THR 10 HN THR 10 49.859 11.845 -1.649
65 HA THR 10 HA THR 10 47.042 12.010 -1.471
66 HB THR 10 HB THR 10 48.638 11.682 -4.028
67 HG1 THR 10 HG1 THR 10 49.193 13.385 -2.361
68 1HG2 THR 10 HG21 THR 10 46.684 13.388 -4.651
69 2HG2 THR 10 HG22 THR 10 45.862 12.536 -3.346
70 3HG2 THR 10 HG23 THR 10 46.448 11.644 -4.749
71 H LEU 11 HN LEU 11 49.006 9.431 -2.996
72 HA LEU 11 HA LEU 11 46.700 7.855 -3.742
73 1HB LEU 11 HB2 LEU 11 49.565 6.971 -3.317
74 2HB LEU 11 HB1 LEU 11 48.304 6.028 -4.111
75 HG LEU 11 HG LEU 11 49.450 8.678 -5.033
76 1HD1 LEU 11 HD11 LEU 11 49.404 6.695 -7.061
77 2HD1 LEU 11 HD12 LEU 11 50.034 5.917 -5.613
78 3HD1 LEU 11 HD13 LEU 11 50.815 7.361 -6.246
79 1HD2 LEU 11 HD21 LEU 11 47.196 8.905 -5.614
80 2HD2 LEU 11 HD22 LEU 11 46.970 7.167 -5.814
81 3HD2 LEU 11 HD23 LEU 11 47.845 8.089 -7.037
82 H GLU 12 HN GLU 12 48.637 8.166 -0.873
83 HA GLU 12 HA GLU 12 48.032 5.834 0.562
84 1HB GLU 12 HB2 GLU 12 49.527 7.677 1.375
85 2HB GLU 12 HB1 GLU 12 48.087 8.637 1.717
86 1HG GLU 12 HG2 GLU 12 47.262 6.787 3.189
87 2HG GLU 12 HG1 GLU 12 48.799 5.960 2.940
88 H GLN 13 HN GLN 13 45.967 8.555 -0.180
89 HA GLN 13 HA GLN 13 44.060 8.414 1.842
90 1HB GLN 13 HB2 GLN 13 43.642 8.819 -1.134
91 2HB GLN 13 HB1 GLN 13 42.484 9.268 0.120
92 1HG GLN 13 HG2 GLN 13 44.171 10.762 1.137
93 2HG GLN 13 HG1 GLN 13 45.311 10.331 -0.138
94 1HE2 GLN 13 HE21 GLN 13 45.088 11.336 -2.170
95 2HE2 GLN 13 HE22 GLN 13 43.892 12.482 -2.527
96 H GLN 14 HN GLN 14 44.249 6.290 -1.074
97 HA GLN 14 HA GLN 14 41.767 4.951 -0.481
98 1HB GLN 14 HB2 GLN 14 42.946 4.857 -2.691
99 2HB GLN 14 HB1 GLN 14 44.165 3.821 -1.948
100 1HG GLN 14 HG2 GLN 14 42.444 2.165 -1.382
101 2HG GLN 14 HG1 GLN 14 41.198 3.206 -2.070
102 1HE2 GLN 14 HE21 GLN 14 41.371 0.718 -3.221
103 2HE2 GLN 14 HE22 GLN 14 42.121 0.800 -4.741
104 H TYR 15 HN TYR 15 45.160 4.113 0.270
105 HA TYR 15 HA TYR 15 44.373 1.796 1.847
106 1HB TYR 15 HB2 TYR 15 47.035 3.172 1.455
107 2HB TYR 15 HB1 TYR 15 46.831 1.787 2.518
108 HD1 TYR 15 HD1 TYR 15 44.624 1.813 -0.370
109 HD2 TYR 15 HD2 TYR 15 48.547 0.644 0.985
110 HE1 TYR 15 HE1 TYR 15 44.826 0.267 -2.281
111 HE2 TYR 15 HE2 TYR 15 48.734 -0.890 -0.946
112 HH TYR 15 HH TYR 15 47.473 -1.998 -2.546
113 H ASN 16 HN ASN 16 44.759 5.148 2.511
114 HA ASN 16 HA ASN 16 45.593 5.143 5.184
115 1HB ASN 16 HB2 ASN 16 45.159 7.148 3.697
116 2HB ASN 16 HB1 ASN 16 43.450 6.973 4.097
117 1HD2 ASN 16 HD21 ASN 16 42.814 8.180 5.881
118 2HD2 ASN 16 HD22 ASN 16 43.832 8.659 7.152
119 H LYS 17 HN LYS 17 42.248 4.600 3.982
120 HA LYS 17 HA LYS 17 41.175 4.628 6.654
121 1HB LYS 17 HB2 LYS 17 39.337 4.846 5.398
122 2HB LYS 17 HB1 LYS 17 40.103 4.161 3.978
123 1HG LYS 17 HG2 LYS 17 39.705 1.867 4.944
124 2HG LYS 17 HG1 LYS 17 38.854 2.627 6.285
125 1HD LYS 17 HD2 LYS 17 37.474 3.785 4.372
126 2HD LYS 17 HD1 LYS 17 38.061 2.439 3.397
127 1HE LYS 17 HE2 LYS 17 37.217 0.889 5.224
128 2HE LYS 17 HE1 LYS 17 36.424 2.292 5.939
129 1HZ LYS 17 HZ1 LYS 17 35.838 0.903 3.426
130 2HZ LYS 17 HZ2 LYS 17 35.536 2.572 3.512
131 3HZ LYS 17 HZ3 LYS 17 34.773 1.511 4.597
132 HA PRO 18 HA PRO 18 41.793 -0.016 6.789
133 1HB PRO 18 HB2 PRO 18 41.851 -1.462 4.512
134 2HB PRO 18 HB1 PRO 18 40.361 -0.686 5.074
135 1HG PRO 18 HG2 PRO 18 42.021 -0.037 2.767
136 2HG PRO 18 HG1 PRO 18 40.378 0.497 3.154
137 1HD PRO 18 HD2 PRO 18 42.937 1.873 3.653
138 2HD PRO 18 HD1 PRO 18 41.299 2.539 3.642
139 H LEU 19 HN LEU 19 44.272 1.730 6.135
140 HA LEU 19 HA LEU 19 46.184 0.277 4.681
141 1HB LEU 19 HB2 LEU 19 46.596 2.555 5.609
142 2HB LEU 19 HB1 LEU 19 46.741 1.846 7.216
143 HG LEU 19 HG LEU 19 48.562 0.334 6.218
144 1HD1 LEU 19 HD11 LEU 19 49.707 1.385 4.221
145 2HD1 LEU 19 HD12 LEU 19 48.279 2.398 4.020
146 3HD1 LEU 19 HD13 LEU 19 48.148 0.646 3.861
147 1HD2 LEU 19 HD21 LEU 19 49.281 2.060 7.682
148 2HD2 LEU 19 HD22 LEU 19 48.864 3.325 6.525
149 3HD2 LEU 19 HD23 LEU 19 50.253 2.278 6.225
150 H SER 20 HN SER 20 45.289 -0.163 8.131
151 HA SER 20 HA SER 20 47.315 -2.101 8.690
152 1HB SER 20 HB2 SER 20 44.498 -2.025 9.815
153 2HB SER 20 HB1 SER 20 45.895 -2.811 10.544
154 HG SER 20 HG SER 20 45.914 -0.064 9.893
155 H ASP 21 HN ASP 21 44.076 -2.383 7.305
156 HA ASP 21 HA ASP 21 43.943 -5.233 7.096
157 1HB ASP 21 HB2 ASP 21 42.094 -3.517 6.682
158 2HB ASP 21 HB1 ASP 21 42.842 -3.273 5.103
159 H LEU 22 HN LEU 22 45.302 -2.722 5.051
160 HA LEU 22 HA LEU 22 45.994 -4.559 2.898
161 1HB LEU 22 HB2 LEU 22 46.970 -1.732 3.422
162 2HB LEU 22 HB1 LEU 22 47.053 -2.607 1.890
163 HG LEU 22 HG LEU 22 44.518 -1.817 3.353
164 1HD1 LEU 22 HD11 LEU 22 45.618 0.045 2.227
165 2HD1 LEU 22 HD12 LEU 22 44.145 -0.398 1.370
166 3HD1 LEU 22 HD13 LEU 22 45.718 -0.891 0.739
167 1HD2 LEU 22 HD21 LEU 22 45.051 -3.511 0.928
168 2HD2 LEU 22 HD22 LEU 22 43.543 -2.607 1.075
169 3HD2 LEU 22 HD23 LEU 22 43.962 -3.826 2.280
170 H LEU 23 HN LEU 23 48.092 -5.326 2.465
171 HA LEU 23 HA LEU 23 49.711 -5.525 4.903
172 1HB LEU 23 HB2 LEU 23 49.132 -7.574 3.847
173 2HB LEU 23 HB1 LEU 23 49.636 -6.989 2.272
174 HG LEU 23 HG LEU 23 51.137 -8.586 3.967
175 1HD1 LEU 23 HD11 LEU 23 51.579 -8.570 1.673
176 2HD1 LEU 23 HD12 LEU 23 53.018 -7.801 2.343
177 3HD1 LEU 23 HD13 LEU 23 51.747 -6.813 1.618
178 1HD2 LEU 23 HD21 LEU 23 51.586 -6.201 5.180
179 2HD2 LEU 23 HD22 LEU 23 52.775 -6.097 3.883
180 3HD2 LEU 23 HD23 LEU 23 52.812 -7.439 5.020
181 H ILE 24 HN ILE 24 51.442 -4.309 5.201
182 HA ILE 24 HA ILE 24 53.137 -3.564 2.833
183 HB ILE 24 HB ILE 24 52.859 -2.001 5.407
184 1HG1 ILE 24 HG12 ILE 24 50.794 -1.743 4.203
185 2HG1 ILE 24 HG11 ILE 24 51.752 -0.296 3.914
186 1HG2 ILE 24 HG21 ILE 24 54.983 -2.037 3.760
187 2HG2 ILE 24 HG22 ILE 24 54.454 -0.560 4.563
188 3HG2 ILE 24 HG23 ILE 24 53.989 -0.869 2.892
189 1HD1 ILE 24 HD11 ILE 24 51.085 -2.517 2.042
190 2HD1 ILE 24 HD12 ILE 24 52.632 -1.691 1.847
191 3HD1 ILE 24 HD13 ILE 24 51.128 -0.778 1.756
192 H ARG 25 HN ARG 25 55.225 -4.502 3.005
193 HA ARG 25 HA ARG 25 56.418 -4.857 5.682
194 1HB ARG 25 HB2 ARG 25 54.861 -6.860 5.207
195 2HB ARG 25 HB1 ARG 25 56.054 -7.315 3.983
196 1HG ARG 25 HG2 ARG 25 57.811 -7.354 5.718
197 2HG ARG 25 HG1 ARG 25 56.611 -6.951 6.950
198 1HD ARG 25 HD2 ARG 25 56.545 -9.405 5.162
199 2HD ARG 25 HD1 ARG 25 56.995 -9.388 6.865
200 HE ARG 25 HE ARG 25 54.374 -8.231 6.437
201 1HH1 ARG 25 HH21 ARG 25 56.201 -11.144 6.728
202 2HH1 ARG 25 HH22 ARG 25 54.867 -12.075 7.323
203 1HH2 ARG 25 HH11 ARG 25 52.628 -9.430 7.217
204 2HH2 ARG 25 HH12 ARG 25 52.845 -11.105 7.600
205 H CYS 26 HN CYS 26 58.674 -5.769 5.484
206 HA CYS 26 HA CYS 26 60.237 -4.559 3.468
207 1HB CYS 26 HB2 CYS 26 60.605 -6.541 5.600
208 2HB CYS 26 HB1 CYS 26 61.615 -6.874 4.207
209 H ILE 27 HN ILE 27 60.784 -5.236 1.407
210 HA ILE 27 HA ILE 27 59.266 -7.185 0.003
211 HB ILE 27 HB ILE 27 60.771 -5.197 -0.864
212 1HG1 ILE 27 HG12 ILE 27 60.848 -7.840 -2.339
213 2HG1 ILE 27 HG11 ILE 27 59.420 -6.809 -2.252
214 1HG2 ILE 27 HG21 ILE 27 62.741 -7.371 -1.425
215 2HG2 ILE 27 HG22 ILE 27 62.807 -6.621 0.161
216 3HG2 ILE 27 HG23 ILE 27 63.006 -5.636 -1.285
217 1HD1 ILE 27 HD11 ILE 27 60.233 -5.489 -3.895
218 2HD1 ILE 27 HD12 ILE 27 61.608 -6.579 -4.050
219 3HD1 ILE 27 HD13 ILE 27 61.703 -5.198 -2.957
220 H ASN 28 HN ASN 28 62.179 -7.415 1.912
221 HA ASN 28 HA ASN 28 62.412 -10.287 1.062
222 1HB ASN 28 HB2 ASN 28 64.633 -10.049 0.581
223 2HB ASN 28 HB1 ASN 28 64.207 -8.356 0.384
224 1HD2 ASN 28 HD21 ASN 28 65.634 -7.019 1.495
225 2HD2 ASN 28 HD22 ASN 28 66.400 -7.409 2.959
226 H CYS 29 HN CYS 29 63.199 -7.969 3.685
227 HA CYS 29 HA CYS 29 64.019 -10.022 5.523
228 1HB CYS 29 HB2 CYS 29 62.734 -7.365 6.211
229 2HB CYS 29 HB1 CYS 29 63.773 -8.341 7.253
230 H GLN 30 HN GLN 30 60.913 -8.659 4.648
231 HA GLN 30 HA GLN 30 58.741 -9.265 5.254
232 1HB GLN 30 HB2 GLN 30 60.188 -11.897 5.395
233 2HB GLN 30 HB1 GLN 30 58.463 -11.774 5.759
234 1HG GLN 30 HG2 GLN 30 58.707 -12.259 3.403
235 2HG GLN 30 HG1 GLN 30 58.149 -10.601 3.565
236 1HE2 GLN 30 HE21 GLN 30 59.760 -8.882 3.275
237 2HE2 GLN 30 HE22 GLN 30 61.175 -9.182 2.405
238 H LYS 31 HN LYS 31 60.193 -8.052 7.268
239 HA LYS 31 HA LYS 31 59.253 -9.499 9.705
240 1HB LYS 31 HB2 LYS 31 61.495 -7.604 9.147
241 2HB LYS 31 HB1 LYS 31 60.670 -7.413 10.694
242 1HG LYS 31 HG2 LYS 31 62.550 -8.962 10.945
243 2HG LYS 31 HG1 LYS 31 61.028 -9.830 11.157
244 1HD LYS 31 HD2 LYS 31 61.130 -10.658 8.867
245 2HD LYS 31 HD1 LYS 31 62.579 -9.702 8.554
246 1HE LYS 31 HE2 LYS 31 63.940 -11.137 9.704
247 2HE LYS 31 HE1 LYS 31 62.701 -11.518 10.900
248 1HZ LYS 31 HZ1 LYS 31 63.438 -12.990 8.636
249 2HZ LYS 31 HZ2 LYS 31 61.839 -12.461 8.413
250 3HZ LYS 31 HZ3 LYS 31 62.253 -13.363 9.791
251 HA PRO 32 HA PRO 32 55.977 -6.569 10.124
252 1HB PRO 32 HB2 PRO 32 56.488 -5.447 12.645
253 2HB PRO 32 HB1 PRO 32 55.577 -6.944 12.361
254 1HG PRO 32 HG2 PRO 32 58.439 -6.580 13.085
255 2HG PRO 32 HG1 PRO 32 57.280 -7.788 13.670
256 1HD PRO 32 HD2 PRO 32 59.131 -8.456 11.859
257 2HD PRO 32 HD1 PRO 32 57.466 -9.078 11.699
258 H LEU 33 HN LEU 33 55.808 -4.425 9.392
259 HA LEU 33 HA LEU 33 58.359 -2.862 9.394
260 1HB LEU 33 HB2 LEU 33 57.043 -3.510 7.249
261 2HB LEU 33 HB1 LEU 33 55.862 -2.323 7.780
262 HG LEU 33 HG LEU 33 57.824 -0.660 7.898
263 1HD1 LEU 33 HD11 LEU 33 59.810 -1.855 7.719
264 2HD1 LEU 33 HD12 LEU 33 59.539 -1.528 6.004
265 3HD1 LEU 33 HD13 LEU 33 59.099 -3.093 6.682
266 1HD2 LEU 33 HD21 LEU 33 57.481 -1.621 5.083
267 2HD2 LEU 33 HD22 LEU 33 57.353 0.016 5.727
268 3HD2 LEU 33 HD23 LEU 33 56.036 -1.132 5.965
269 H SER 34 HN SER 34 58.498 -1.213 10.748
270 HA SER 34 HA SER 34 56.405 -0.551 12.522
271 1HB SER 34 HB2 SER 34 58.034 0.649 13.553
272 2HB SER 34 HB1 SER 34 59.125 0.057 12.305
273 HG SER 34 HG SER 34 59.039 2.374 12.485
274 HA PRO 35 HA PRO 35 54.167 1.756 9.484
275 1HB PRO 35 HB2 PRO 35 52.529 3.099 11.324
276 2HB PRO 35 HB1 PRO 35 52.179 1.558 10.524
277 1HG PRO 35 HG2 PRO 35 53.048 2.072 13.267
278 2HG PRO 35 HG1 PRO 35 52.186 0.690 12.586
279 1HD PRO 35 HD2 PRO 35 54.854 0.680 13.323
280 2HD PRO 35 HD1 PRO 35 54.101 -0.482 12.208
281 H GLU 36 HN GLU 36 56.097 2.848 12.018
282 HA GLU 36 HA GLU 36 55.854 5.708 11.558
283 1HB GLU 36 HB2 GLU 36 58.182 4.054 12.609
284 2HB GLU 36 HB1 GLU 36 58.111 5.817 12.642
285 1HG GLU 36 HG2 GLU 36 56.129 3.957 13.990
286 2HG GLU 36 HG1 GLU 36 57.408 4.854 14.810
287 H GLU 37 HN GLU 37 57.779 3.068 10.255
288 HA GLU 37 HA GLU 37 59.342 4.681 8.434
289 1HB GLU 37 HB2 GLU 37 58.590 1.739 8.432
290 2HB GLU 37 HB1 GLU 37 59.775 2.461 7.347
291 1HG GLU 37 HG2 GLU 37 61.099 3.204 9.309
292 2HG GLU 37 HG1 GLU 37 59.924 2.435 10.376
293 H LYS 38 HN LYS 38 56.307 2.853 8.222
294 HA LYS 38 HA LYS 38 55.889 3.248 5.430
295 1HB LYS 38 HB2 LYS 38 53.833 2.857 7.623
296 2HB LYS 38 HB1 LYS 38 53.532 2.682 5.899
297 1HG LYS 38 HG2 LYS 38 55.381 0.953 5.865
298 2HG LYS 38 HG1 LYS 38 55.361 1.002 7.624
299 1HD LYS 38 HD2 LYS 38 52.970 0.325 5.882
300 2HD LYS 38 HD1 LYS 38 53.996 -0.848 6.700
301 1HE LYS 38 HE2 LYS 38 53.305 -0.088 8.859
302 2HE LYS 38 HE1 LYS 38 52.492 1.320 8.176
303 1HZ LYS 38 HZ1 LYS 38 51.333 -0.697 6.849
304 2HZ LYS 38 HZ2 LYS 38 50.699 0.022 8.251
305 3HZ LYS 38 HZ3 LYS 38 51.601 -1.413 8.363
306 H GLN 39 HN GLN 39 55.036 5.104 8.325
307 HA GLN 39 HA GLN 39 53.385 6.939 6.992
308 1HB GLN 39 HB2 GLN 39 53.581 6.842 9.468
309 2HB GLN 39 HB1 GLN 39 55.184 7.582 9.339
310 1HG GLN 39 HG2 GLN 39 53.505 9.324 9.752
311 2HG GLN 39 HG1 GLN 39 54.164 9.501 8.121
312 1HE2 GLN 39 HE21 GLN 39 52.886 8.610 6.334
313 2HE2 GLN 39 HE22 GLN 39 51.210 8.436 6.473
314 H ARG 40 HN ARG 40 56.915 7.003 7.436
315 HA ARG 40 HA ARG 40 57.242 9.525 6.088
316 1HB ARG 40 HB2 ARG 40 59.132 7.152 6.285
317 2HB ARG 40 HB1 ARG 40 59.582 8.751 5.689
318 1HG ARG 40 HG2 ARG 40 58.890 9.724 7.878
319 2HG ARG 40 HG1 ARG 40 58.562 8.094 8.467
320 1HD ARG 40 HD2 ARG 40 60.785 8.696 9.197
321 2HD ARG 40 HD1 ARG 40 60.951 7.501 7.910
322 HE ARG 40 HE ARG 40 61.008 10.187 6.844
323 1HH1 ARG 40 HH21 ARG 40 62.803 7.786 8.546
324 2HH1 ARG 40 HH22 ARG 40 64.342 8.347 7.982
325 1HH2 ARG 40 HH11 ARG 40 63.004 10.933 6.098
326 2HH2 ARG 40 HH12 ARG 40 64.456 10.130 6.596
327 H HIS 41 HN HIS 41 57.015 6.158 5.052
328 HA HIS 41 HA HIS 41 57.663 6.549 2.307
329 1HB HIS 41 HB2 HIS 41 55.666 4.572 3.467
330 2HB HIS 41 HB1 HIS 41 56.458 4.452 1.900
331 HD1 HIS 41 HD1 HIS 41 56.820 2.256 4.057
332 HD2 HIS 41 HD2 HIS 41 59.448 5.444 3.518
333 HE1 HIS 41 HE1 HIS 41 59.007 1.559 5.108
334 H LEU 42 HN LEU 42 54.604 6.524 4.041
335 HA LEU 42 HA LEU 42 52.921 7.237 1.843
336 1HB LEU 42 HB2 LEU 42 52.536 7.662 4.819
337 2HB LEU 42 HB1 LEU 42 51.277 7.755 3.596
338 HG LEU 42 HG LEU 42 52.937 5.292 4.188
339 1HD1 LEU 42 HD11 LEU 42 50.831 6.309 5.663
340 2HD1 LEU 42 HD12 LEU 42 51.322 4.617 5.628
341 3HD1 LEU 42 HD13 LEU 42 50.032 5.181 4.567
342 1HD2 LEU 42 HD21 LEU 42 50.743 4.495 2.767
343 2HD2 LEU 42 HD22 LEU 42 52.321 4.817 2.050
344 3HD2 LEU 42 HD23 LEU 42 51.074 6.064 2.034
345 H ASP 43 HN ASP 43 54.729 9.162 4.209
346 HA ASP 43 HA ASP 43 53.481 11.643 3.732
347 1HB ASP 43 HB2 ASP 43 56.352 11.010 4.465
348 2HB ASP 43 HB1 ASP 43 55.666 12.635 4.489
349 H LYS 44 HN LYS 44 56.184 10.046 2.042
350 HA LYS 44 HA LYS 44 55.494 11.103 -0.480
351 1HB LYS 44 HB2 LYS 44 56.045 13.309 0.646
352 2HB LYS 44 HB1 LYS 44 57.700 12.742 0.786
353 1HG LYS 44 HG2 LYS 44 57.617 14.053 -1.201
354 2HG LYS 44 HG1 LYS 44 57.628 12.370 -1.738
355 1HD LYS 44 HD2 LYS 44 55.291 12.376 -2.164
356 2HD LYS 44 HD1 LYS 44 55.051 13.870 -1.260
357 1HE LYS 44 HE2 LYS 44 56.831 13.782 -3.701
358 2HE LYS 44 HE1 LYS 44 55.086 13.981 -3.865
359 1HZ LYS 44 HZ1 LYS 44 56.678 15.689 -2.053
360 2HZ LYS 44 HZ2 LYS 44 55.127 15.975 -2.685
361 3HZ LYS 44 HZ3 LYS 44 56.490 16.074 -3.694
362 H LYS 45 HN LYS 45 56.291 8.735 -0.416
363 HA LYS 45 HA LYS 45 59.211 8.436 -0.329
364 1HB LYS 45 HB2 LYS 45 57.642 6.556 0.293
365 2HB LYS 45 HB1 LYS 45 57.243 6.423 -1.412
366 1HG LYS 45 HG2 LYS 45 59.641 6.114 -1.960
367 2HG LYS 45 HG1 LYS 45 60.027 6.211 -0.239
368 1HD LYS 45 HD2 LYS 45 58.532 4.264 0.178
369 2HD LYS 45 HD1 LYS 45 58.293 4.112 -1.563
370 1HE LYS 45 HE2 LYS 45 60.047 2.595 -1.099
371 2HE LYS 45 HE1 LYS 45 60.876 4.027 -1.707
372 1HZ LYS 45 HZ1 LYS 45 60.694 4.556 0.919
373 2HZ LYS 45 HZ2 LYS 45 62.048 3.854 0.172
374 3HZ LYS 45 HZ3 LYS 45 60.894 2.872 0.938
375 H GLN 46 HN GLN 46 60.571 8.243 -2.088
376 HA GLN 46 HA GLN 46 59.887 9.508 -4.519
377 1HB GLN 46 HB2 GLN 46 62.208 8.934 -3.714
378 2HB GLN 46 HB1 GLN 46 61.880 7.251 -4.128
379 1HG GLN 46 HG2 GLN 46 61.470 7.911 -6.463
380 2HG GLN 46 HG1 GLN 46 61.814 9.587 -6.047
381 1HE2 GLN 46 HE21 GLN 46 63.325 8.032 -7.926
382 2HE2 GLN 46 HE22 GLN 46 64.912 7.894 -7.337
383 H ARG 47 HN ARG 47 59.778 6.078 -3.545
384 HA ARG 47 HA ARG 47 57.572 5.603 -5.393
385 1HB ARG 47 HB2 ARG 47 60.225 4.211 -5.818
386 2HB ARG 47 HB1 ARG 47 58.705 3.695 -6.543
387 1HG ARG 47 HG2 ARG 47 58.493 5.955 -7.595
388 2HG ARG 47 HG1 ARG 47 60.089 6.350 -6.963
389 1HD ARG 47 HD2 ARG 47 60.993 4.336 -8.170
390 2HD ARG 47 HD1 ARG 47 59.412 4.158 -8.932
391 HE ARG 47 HE ARG 47 59.983 6.723 -9.570
392 1HH1 ARG 47 HH21 ARG 47 61.883 3.847 -9.579
393 2HH1 ARG 47 HH22 ARG 47 62.898 4.361 -10.885
394 1HH2 ARG 47 HH11 ARG 47 61.303 7.416 -11.270
395 2HH2 ARG 47 HH12 ARG 47 62.570 6.383 -11.841
396 H PHE 48 HN PHE 48 56.210 4.430 -4.125
397 HA PHE 48 HA PHE 48 57.379 2.289 -2.375
398 1HB PHE 48 HB2 PHE 48 55.808 4.317 -1.496
399 2HB PHE 48 HB1 PHE 48 54.548 3.246 -2.085
400 HD1 PHE 48 HD1 PHE 48 53.486 2.475 -0.155
401 HD2 PHE 48 HD2 PHE 48 57.781 2.332 -0.354
402 HE1 PHE 48 HE1 PHE 48 53.550 1.189 1.961
403 HE2 PHE 48 HE2 PHE 48 57.829 1.057 1.767
404 HZ PHE 48 HZ PHE 48 55.727 0.474 2.915
405 H HIS 49 HN HIS 49 56.848 0.176 -3.184
406 HA HIS 49 HA HIS 49 54.766 0.207 -5.339
407 1HB HIS 49 HB2 HIS 49 57.324 -1.359 -5.172
408 2HB HIS 49 HB1 HIS 49 56.084 -1.661 -6.374
409 HD1 HIS 49 HD1 HIS 49 55.347 0.770 -7.645
410 HD2 HIS 49 HD2 HIS 49 59.196 0.423 -6.083
411 HE1 HIS 49 HE1 HIS 49 56.756 2.514 -8.821
412 H ASN 50 HN ASN 50 53.280 -1.345 -5.513
413 HA ASN 50 HA ASN 50 53.130 -3.361 -3.319
414 1HB ASN 50 HB2 ASN 50 51.288 -1.756 -3.273
415 2HB ASN 50 HB1 ASN 50 50.912 -2.122 -4.937
416 1HD2 ASN 50 HD21 ASN 50 51.448 -3.989 -1.922
417 2HD2 ASN 50 HD22 ASN 50 50.140 -5.039 -2.161
418 H ILE 51 HN ILE 51 53.368 -5.385 -3.883
419 HA ILE 51 HA ILE 51 52.771 -6.256 -6.680
420 HB ILE 51 HB ILE 51 54.653 -7.547 -4.676
421 1HG1 ILE 51 HG12 ILE 51 55.649 -5.461 -5.324
422 2HG1 ILE 51 HG11 ILE 51 56.428 -6.713 -6.293
423 1HG2 ILE 51 HG21 ILE 51 55.413 -8.519 -7.043
424 2HG2 ILE 51 HG22 ILE 51 53.731 -8.174 -7.447
425 3HG2 ILE 51 HG23 ILE 51 54.112 -9.268 -6.117
426 1HD1 ILE 51 HD11 ILE 51 55.908 -5.122 -7.915
427 2HD1 ILE 51 HD12 ILE 51 54.395 -4.669 -7.132
428 3HD1 ILE 51 HD13 ILE 51 54.513 -6.193 -8.009
429 H ARG 52 HN ARG 52 51.282 -8.013 -6.815
430 HA ARG 52 HA ARG 52 49.478 -8.365 -4.692
431 1HB ARG 52 HB2 ARG 52 50.209 -10.333 -6.884
432 2HB ARG 52 HB1 ARG 52 48.790 -10.475 -5.845
433 1HG ARG 52 HG2 ARG 52 48.043 -8.222 -6.630
434 2HG ARG 52 HG1 ARG 52 49.406 -8.198 -7.750
435 1HD ARG 52 HD2 ARG 52 47.168 -10.243 -7.710
436 2HD ARG 52 HD1 ARG 52 47.391 -8.973 -8.912
437 HE ARG 52 HE ARG 52 49.017 -11.433 -8.669
438 1HH1 ARG 52 HH21 ARG 52 48.452 -8.326 -10.056
439 2HH1 ARG 52 HH22 ARG 52 49.461 -8.611 -11.435
440 1HH2 ARG 52 HH11 ARG 52 50.339 -11.822 -10.460
441 2HH2 ARG 52 HH12 ARG 52 50.530 -10.592 -11.664
442 H GLY 53 HN GLY 53 49.367 -9.753 -2.958
443 1HA GLY 53 HA2 GLY 53 50.106 -11.218 -1.297
444 2HA GLY 53 HA1 GLY 53 50.996 -12.059 -2.563
445 H ARG 54 HN ARG 54 52.407 -9.289 -3.080
446 HA ARG 54 HA ARG 54 54.188 -9.409 -0.679
447 1HB ARG 54 HB2 ARG 54 55.097 -10.777 -2.552
448 2HB ARG 54 HB1 ARG 54 55.129 -9.333 -3.556
449 1HG ARG 54 HG2 ARG 54 56.651 -8.250 -1.920
450 2HG ARG 54 HG1 ARG 54 56.654 -9.738 -0.968
451 1HD ARG 54 HD2 ARG 54 57.489 -10.965 -2.984
452 2HD ARG 54 HD1 ARG 54 57.614 -9.423 -3.826
453 HE ARG 54 HE ARG 54 59.087 -9.085 -1.476
454 1HH1 ARG 54 HH21 ARG 54 59.006 -11.226 -4.175
455 2HH1 ARG 54 HH22 ARG 54 60.709 -11.539 -4.150
456 1HH2 ARG 54 HH11 ARG 54 61.318 -9.483 -1.429
457 2HH2 ARG 54 HH12 ARG 54 62.017 -10.554 -2.597
458 H TRP 55 HN TRP 55 54.938 -7.427 0.026
459 HA TRP 55 HA TRP 55 54.263 -5.045 -1.661
460 1HB TRP 55 HB2 TRP 55 53.520 -5.637 1.028
461 2HB TRP 55 HB1 TRP 55 54.700 -4.330 1.094
462 HD1 TRP 55 HD1 TRP 55 51.160 -5.103 0.100
463 HE1 TRP 55 HE1 TRP 55 50.025 -2.945 -0.733
464 HE3 TRP 55 HE3 TRP 55 55.227 -2.047 -0.276
465 HZ2 TRP 55 HZ2 TRP 55 50.764 -0.305 -1.484
466 HZ3 TRP 55 HZ3 TRP 55 54.983 0.269 -1.065
467 HH2 TRP 55 HH2 TRP 55 52.749 1.156 -1.679
468 H THR 56 HN THR 56 55.900 -3.359 -1.810
469 HA THR 56 HA THR 56 58.480 -4.043 -0.486
470 HB THR 56 HB THR 56 58.387 -4.960 -2.849
471 HG1 THR 56 HG1 THR 56 60.396 -3.144 -2.989
472 1HG2 THR 56 HG21 THR 56 58.620 -3.377 -4.665
473 2HG2 THR 56 HG22 THR 56 58.603 -2.025 -3.531
474 3HG2 THR 56 HG23 THR 56 57.150 -2.999 -3.766
475 H GLY 57 HN GLY 57 60.026 -2.296 -0.486
476 1HA GLY 57 HA2 GLY 57 59.815 0.298 -1.379
477 2HA GLY 57 HA1 GLY 57 58.778 0.277 0.042
478 H ARG 58 HN ARG 58 59.741 -0.161 2.107
479 HA ARG 58 HA ARG 58 62.276 0.947 2.551
480 1HB ARG 58 HB2 ARG 58 60.875 0.776 4.422
481 2HB ARG 58 HB1 ARG 58 60.686 -0.970 4.219
482 1HG ARG 58 HG2 ARG 58 62.977 -1.384 4.749
483 2HG ARG 58 HG1 ARG 58 63.365 0.345 4.710
484 1HD ARG 58 HD2 ARG 58 61.524 -1.035 6.682
485 2HD ARG 58 HD1 ARG 58 63.157 -0.478 7.030
486 HE ARG 58 HE ARG 58 60.826 1.178 7.071
487 1HH1 ARG 58 HH21 ARG 58 64.108 1.069 6.007
488 2HH1 ARG 58 HH22 ARG 58 64.301 2.789 6.005
489 1HH2 ARG 58 HH11 ARG 58 61.074 3.432 7.067
490 2HH2 ARG 58 HH12 ARG 58 62.592 4.120 6.605
491 H CYS 59 HN CYS 59 61.521 -2.464 2.052
492 HA CYS 59 HA CYS 59 64.011 -3.381 2.934
493 1HB CYS 59 HB2 CYS 59 61.922 -4.645 2.079
494 2HB CYS 59 HB1 CYS 59 62.777 -4.592 0.539
495 H MET 60 HN MET 60 63.115 -1.785 -0.039
496 HA MET 60 HA MET 60 65.431 -2.399 -1.580
497 1HB MET 60 HB2 MET 60 63.436 -1.045 -2.379
498 2HB MET 60 HB1 MET 60 64.061 0.311 -1.440
499 1HG MET 60 HG2 MET 60 66.217 0.115 -2.717
500 2HG MET 60 HG1 MET 60 65.446 -1.100 -3.737
501 1HE MET 60 HE1 MET 60 62.784 0.544 -5.668
502 2HE MET 60 HE2 MET 60 62.307 0.222 -4.002
503 3HE MET 60 HE3 MET 60 63.387 -0.895 -4.834
504 H SER 61 HN SER 61 64.823 -0.112 1.039
505 HA SER 61 HA SER 61 67.390 1.179 0.981
506 1HB SER 61 HB2 SER 61 66.831 1.977 3.199
507 2HB SER 61 HB1 SER 61 65.362 2.013 2.229
508 HG SER 61 HG SER 61 66.163 0.110 4.170
509 H CYS 62 HN CYS 62 66.214 -1.864 2.316
510 HA CYS 62 HA CYS 62 68.371 -2.381 4.113
511 1HB CYS 62 HB2 CYS 62 66.734 -4.371 2.486
512 2HB CYS 62 HB1 CYS 62 67.805 -4.783 3.819
513 H SER 63 HN SER 63 68.084 -2.614 0.633
514 HA SER 63 HA SER 63 70.953 -3.475 0.546
515 1HB SER 63 HB2 SER 63 70.472 -4.692 -1.515
516 2HB SER 63 HB1 SER 63 69.393 -5.257 -0.242
517 HG SER 63 HG SER 63 67.975 -3.469 -1.158
518 H ARG 64 HN ARG 64 72.193 -2.556 -1.222
519 HA ARG 64 HA ARG 64 70.919 -0.141 -2.442
520 1HB ARG 64 HB2 ARG 64 73.742 -0.431 -1.376
521 2HB ARG 64 HB1 ARG 64 73.157 0.959 -2.292
522 1HG ARG 64 HG2 ARG 64 71.393 1.313 -0.570
523 2HG ARG 64 HG1 ARG 64 72.077 -0.017 0.367
524 1HD ARG 64 HD2 ARG 64 72.980 2.039 1.254
525 2HD ARG 64 HD1 ARG 64 74.272 1.225 0.375
526 HE ARG 64 HE ARG 64 72.842 3.669 -0.522
527 1HH1 ARG 64 HH21 ARG 64 75.193 1.183 -1.009
528 2HH1 ARG 64 HH22 ARG 64 76.033 2.044 -2.253
529 1HH2 ARG 64 HH11 ARG 64 73.932 4.797 -2.146
530 2HH2 ARG 64 HH12 ARG 64 75.322 4.086 -2.896
531 H SER 65 HN SER 65 71.623 0.381 -4.570
532 HA SER 65 HA SER 65 73.113 -1.824 -5.942
533 1HB SER 65 HB2 SER 65 70.936 -0.038 -7.074
534 2HB SER 65 HB1 SER 65 71.781 -1.312 -7.949
535 HG SER 65 HG SER 65 70.997 -2.684 -6.113
536 H SER 66 HN SER 66 74.648 -1.168 -7.525
537 HA SER 66 HA SER 66 75.291 1.755 -7.477
538 1HB SER 66 HB2 SER 66 77.207 -0.581 -7.735
539 2HB SER 66 HB1 SER 66 77.655 1.122 -7.729
540 HG SER 66 HG SER 66 77.205 -0.519 -5.661
541 H ARG 67 HN ARG 67 75.959 2.685 -9.460
542 HA ARG 67 HA ARG 67 75.027 1.211 -11.844
543 1HB ARG 67 HB2 ARG 67 74.369 3.594 -11.454
544 2HB ARG 67 HB1 ARG 67 76.066 4.051 -11.611
545 1HG ARG 67 HG2 ARG 67 76.091 3.043 -13.892
546 2HG ARG 67 HG1 ARG 67 74.366 2.711 -13.735
547 1HD ARG 67 HD2 ARG 67 75.649 5.455 -13.581
548 2HD ARG 67 HD1 ARG 67 74.752 4.820 -14.961
549 HE ARG 67 HE ARG 67 73.109 4.654 -12.625
550 1HH1 ARG 67 HH21 ARG 67 74.546 6.886 -14.824
551 2HH1 ARG 67 HH22 ARG 67 73.311 8.084 -14.622
552 1HH2 ARG 67 HH11 ARG 67 71.488 6.203 -12.349
553 2HH2 ARG 67 HH12 ARG 67 71.579 7.697 -13.220
Start of MODEL 2
1 H ALA 1 HT1 ALA 1 54.122 -1.172 -7.321
2 HA ALA 1 HA ALA 1 55.957 -0.727 -8.724
3 1HB ALA 1 HB1 ALA 1 55.894 -3.702 -9.310
4 2HB ALA 1 HB2 ALA 1 57.137 -2.854 -8.387
5 3HB ALA 1 HB3 ALA 1 56.943 -2.532 -10.110
6 H MET 2 HN MET 2 55.475 -2.771 -11.165
7 HA MET 2 HA MET 2 53.816 -1.004 -12.625
8 1HB MET 2 HB2 MET 2 55.302 -2.752 -13.628
9 2HB MET 2 HB1 MET 2 54.147 -3.978 -13.106
10 1HG MET 2 HG2 MET 2 52.376 -2.807 -14.428
11 2HG MET 2 HG1 MET 2 53.605 -1.691 -15.022
12 1HE MET 2 HE1 MET 2 52.613 -5.052 -14.289
13 2HE MET 2 HE2 MET 2 53.844 -6.086 -15.007
14 3HE MET 2 HE3 MET 2 52.367 -5.739 -15.900
15 H SER 3 HN SER 3 52.927 -3.916 -10.717
16 HA SER 3 HA SER 3 50.195 -3.957 -11.572
17 1HB SER 3 HB2 SER 3 51.242 -4.653 -8.811
18 2HB SER 3 HB1 SER 3 49.742 -5.216 -9.542
19 HG SER 3 HG SER 3 52.381 -5.971 -10.021
20 H TYR 4 HN TYR 4 51.757 -2.347 -8.770
21 HA TYR 4 HA TYR 4 49.966 -0.094 -9.051
22 1HB TYR 4 HB2 TYR 4 48.442 -1.720 -7.978
23 2HB TYR 4 HB1 TYR 4 49.555 -1.856 -6.621
24 HD1 TYR 4 HD1 TYR 4 49.678 -0.166 -4.941
25 HD2 TYR 4 HD2 TYR 4 47.393 0.473 -8.514
26 HE1 TYR 4 HE1 TYR 4 48.708 1.880 -3.951
27 HE2 TYR 4 HE2 TYR 4 46.416 2.523 -7.526
28 HH TYR 4 HH TYR 4 47.683 4.082 -4.913
29 H SER 5 HN SER 5 50.610 1.694 -7.655
30 HA SER 5 HA SER 5 52.774 1.251 -5.724
31 1HB SER 5 HB2 SER 5 54.448 2.557 -6.882
32 2HB SER 5 HB1 SER 5 53.928 1.229 -7.907
33 HG SER 5 HG SER 5 53.189 2.637 -9.284
34 H LEU 6 HN LEU 6 53.333 3.267 -4.546
35 HA LEU 6 HA LEU 6 51.148 5.299 -4.807
36 1HB LEU 6 HB2 LEU 6 52.843 4.656 -2.377
37 2HB LEU 6 HB1 LEU 6 51.548 5.852 -2.444
38 HG LEU 6 HG LEU 6 51.232 2.868 -2.893
39 1HD1 LEU 6 HD11 LEU 6 49.590 3.952 -0.816
40 2HD1 LEU 6 HD12 LEU 6 51.249 4.476 -0.524
41 3HD1 LEU 6 HD13 LEU 6 50.878 2.757 -0.668
42 1HD2 LEU 6 HD21 LEU 6 49.420 5.240 -3.218
43 2HD2 LEU 6 HD22 LEU 6 48.741 3.688 -2.735
44 3HD2 LEU 6 HD23 LEU 6 49.604 3.836 -4.267
45 H TYR 7 HN TYR 7 51.703 7.355 -5.276
46 HA TYR 7 HA TYR 7 54.457 8.323 -4.808
47 1HB TYR 7 HB2 TYR 7 53.121 8.579 -7.522
48 2HB TYR 7 HB1 TYR 7 54.738 9.120 -7.083
49 HD1 TYR 7 HD1 TYR 7 53.299 6.851 -9.049
50 HD2 TYR 7 HD2 TYR 7 55.900 6.886 -5.631
51 HE1 TYR 7 HE1 TYR 7 54.188 4.637 -9.707
52 HE2 TYR 7 HE2 TYR 7 56.783 4.659 -6.289
53 HH TYR 7 HH TYR 7 55.991 3.206 -9.363
54 H GLY 8 HN GLY 8 51.421 8.781 -4.069
55 1HA GLY 8 HA2 GLY 8 50.556 10.874 -3.201
56 2HA GLY 8 HA1 GLY 8 51.536 11.736 -4.402
57 H THR 9 HN THR 9 50.666 9.226 -6.095
58 HA THR 9 HA THR 9 48.671 10.507 -7.703
59 HB THR 9 HB THR 9 49.159 7.520 -7.407
60 HG1 THR 9 HG1 THR 9 50.301 8.869 -9.500
61 1HG2 THR 9 HG21 THR 9 48.419 7.543 -9.815
62 2HG2 THR 9 HG22 THR 9 47.981 9.238 -9.604
63 3HG2 THR 9 HG23 THR 9 47.157 7.991 -8.667
64 H THR 10 HN THR 10 48.628 8.302 -5.002
65 HA THR 10 HA THR 10 45.680 8.694 -4.744
66 HB THR 10 HB THR 10 45.509 6.534 -3.741
67 HG1 THR 10 HG1 THR 10 48.117 7.026 -3.173
68 1HG2 THR 10 HG21 THR 10 45.833 5.322 -5.623
69 2HG2 THR 10 HG22 THR 10 47.568 5.643 -5.632
70 3HG2 THR 10 HG23 THR 10 46.450 6.822 -6.317
71 H LEU 11 HN LEU 11 45.023 8.852 -2.418
72 HA LEU 11 HA LEU 11 47.124 10.336 -0.959
73 1HB LEU 11 HB2 LEU 11 44.144 10.281 -0.525
74 2HB LEU 11 HB1 LEU 11 45.300 11.351 0.274
75 HG LEU 11 HG LEU 11 44.831 11.200 -2.719
76 1HD1 LEU 11 HD11 LEU 11 43.225 12.427 -0.854
77 2HD1 LEU 11 HD12 LEU 11 43.415 12.991 -2.515
78 3HD1 LEU 11 HD13 LEU 11 44.371 13.715 -1.223
79 1HD2 LEU 11 HD21 LEU 11 47.025 11.902 -2.584
80 2HD2 LEU 11 HD22 LEU 11 46.824 12.568 -0.964
81 3HD2 LEU 11 HD23 LEU 11 46.221 13.455 -2.364
82 H GLU 12 HN GLU 12 47.611 10.010 1.149
83 HA GLU 12 HA GLU 12 47.889 7.406 2.139
84 1HB GLU 12 HB2 GLU 12 49.153 9.405 2.897
85 2HB GLU 12 HB1 GLU 12 47.707 9.984 3.721
86 1HG GLU 12 HG2 GLU 12 47.687 7.887 5.073
87 2HG GLU 12 HG1 GLU 12 49.204 7.420 4.310
88 H GLN 13 HN GLN 13 45.200 9.673 2.661
89 HA GLN 13 HA GLN 13 44.079 8.441 4.928
90 1HB GLN 13 HB2 GLN 13 42.655 9.784 2.620
91 2HB GLN 13 HB1 GLN 13 41.929 9.432 4.188
92 1HG GLN 13 HG2 GLN 13 44.354 11.191 3.713
93 2HG GLN 13 HG1 GLN 13 42.733 11.756 4.119
94 1HE2 GLN 13 HE21 GLN 13 45.604 11.443 5.583
95 2HE2 GLN 13 HE22 GLN 13 45.125 10.966 7.140
96 H GLN 14 HN GLN 14 43.588 7.473 1.478
97 HA GLN 14 HA GLN 14 41.514 5.588 2.108
98 1HB GLN 14 HB2 GLN 14 42.099 6.347 -0.208
99 2HB GLN 14 HB1 GLN 14 43.563 5.368 -0.114
100 1HG GLN 14 HG2 GLN 14 42.212 3.348 0.239
101 2HG GLN 14 HG1 GLN 14 40.738 4.314 0.191
102 1HE2 GLN 14 HE21 GLN 14 40.867 2.330 -1.704
103 2HE2 GLN 14 HE22 GLN 14 41.206 2.974 -3.238
104 H TYR 15 HN TYR 15 45.031 5.147 1.768
105 HA TYR 15 HA TYR 15 45.009 2.374 2.574
106 1HB TYR 15 HB2 TYR 15 47.234 4.425 2.432
107 2HB TYR 15 HB1 TYR 15 47.486 2.712 2.756
108 HD1 TYR 15 HD1 TYR 15 47.549 1.131 0.980
109 HD2 TYR 15 HD2 TYR 15 46.079 5.101 0.254
110 HE1 TYR 15 HE1 TYR 15 47.432 0.636 -1.437
111 HE2 TYR 15 HE2 TYR 15 45.981 4.611 -2.177
112 HH TYR 15 HH TYR 15 45.717 2.345 -3.578
113 H ASN 16 HN ASN 16 45.314 5.440 4.253
114 HA ASN 16 HA ASN 16 46.502 4.647 6.652
115 1HB ASN 16 HB2 ASN 16 45.894 6.981 6.014
116 2HB ASN 16 HB1 ASN 16 44.214 6.608 6.395
117 1HD2 ASN 16 HD21 ASN 16 47.485 6.611 7.903
118 2HD2 ASN 16 HD22 ASN 16 46.921 6.919 9.474
119 H LYS 17 HN LYS 17 43.016 4.345 5.834
120 HA LYS 17 HA LYS 17 42.385 3.424 8.492
121 1HB LYS 17 HB2 LYS 17 40.496 2.288 6.673
122 2HB LYS 17 HB1 LYS 17 40.276 3.599 7.814
123 1HG LYS 17 HG2 LYS 17 40.596 5.246 6.226
124 2HG LYS 17 HG1 LYS 17 41.637 4.248 5.224
125 1HD LYS 17 HD2 LYS 17 39.276 4.730 4.332
126 2HD LYS 17 HD1 LYS 17 39.808 3.062 4.292
127 1HE LYS 17 HE2 LYS 17 37.438 3.631 5.244
128 2HE LYS 17 HE1 LYS 17 38.434 2.436 6.067
129 1HZ LYS 17 HZ1 LYS 17 37.442 4.869 7.060
130 2HZ LYS 17 HZ2 LYS 17 39.139 4.947 7.050
131 3HZ LYS 17 HZ3 LYS 17 38.349 3.689 7.874
132 HA PRO 18 HA PRO 18 42.681 -0.980 6.838
133 1HB PRO 18 HB2 PRO 18 42.999 -1.531 4.236
134 2HB PRO 18 HB1 PRO 18 41.440 -0.965 4.871
135 1HG PRO 18 HG2 PRO 18 43.545 0.536 3.398
136 2HG PRO 18 HG1 PRO 18 41.782 0.626 3.249
137 1HD PRO 18 HD2 PRO 18 43.350 2.399 4.729
138 2HD PRO 18 HD1 PRO 18 41.614 2.154 4.923
139 H LEU 19 HN LEU 19 45.241 1.207 6.045
140 HA LEU 19 HA LEU 19 47.097 -0.453 4.804
141 1HB LEU 19 HB2 LEU 19 47.608 1.907 5.454
142 2HB LEU 19 HB1 LEU 19 47.807 1.373 7.122
143 HG LEU 19 HG LEU 19 49.606 -0.181 6.379
144 1HD1 LEU 19 HD11 LEU 19 50.425 0.611 3.935
145 2HD1 LEU 19 HD12 LEU 19 48.690 0.861 3.737
146 3HD1 LEU 19 HD13 LEU 19 49.310 -0.737 4.157
147 1HD2 LEU 19 HD21 LEU 19 49.772 2.770 5.796
148 2HD2 LEU 19 HD22 LEU 19 51.166 1.737 5.482
149 3HD2 LEU 19 HD23 LEU 19 50.508 1.865 7.118
150 H SER 20 HN SER 20 46.235 -0.468 8.295
151 HA SER 20 HA SER 20 48.067 -2.607 8.935
152 1HB SER 20 HB2 SER 20 45.320 -2.107 10.139
153 2HB SER 20 HB1 SER 20 46.637 -3.017 10.873
154 HG SER 20 HG SER 20 46.168 -0.494 11.167
155 H ASP 21 HN ASP 21 44.786 -2.398 7.678
156 HA ASP 21 HA ASP 21 44.236 -5.209 7.470
157 1HB ASP 21 HB2 ASP 21 43.114 -2.854 5.924
158 2HB ASP 21 HB1 ASP 21 42.485 -4.489 5.822
159 H LEU 22 HN LEU 22 45.887 -2.895 5.410
160 HA LEU 22 HA LEU 22 45.980 -4.603 3.074
161 1HB LEU 22 HB2 LEU 22 47.786 -2.276 3.802
162 2HB LEU 22 HB1 LEU 22 47.561 -2.963 2.195
163 HG LEU 22 HG LEU 22 45.404 -1.613 3.842
164 1HD1 LEU 22 HD11 LEU 22 46.211 -0.576 1.209
165 2HD1 LEU 22 HD12 LEU 22 47.410 -0.400 2.491
166 3HD1 LEU 22 HD13 LEU 22 45.799 0.297 2.688
167 1HD2 LEU 22 HD21 LEU 22 45.411 -3.066 1.223
168 2HD2 LEU 22 HD22 LEU 22 44.305 -1.711 1.469
169 3HD2 LEU 22 HD23 LEU 22 44.218 -3.126 2.523
170 H LEU 23 HN LEU 23 47.726 -5.802 2.312
171 HA LEU 23 HA LEU 23 49.253 -7.274 4.252
172 1HB LEU 23 HB2 LEU 23 50.380 -8.120 2.111
173 2HB LEU 23 HB1 LEU 23 48.623 -8.307 2.172
174 HG LEU 23 HG LEU 23 49.427 -5.679 1.159
175 1HD1 LEU 23 HD11 LEU 23 50.403 -6.316 -0.901
176 2HD1 LEU 23 HD12 LEU 23 50.074 -8.026 -0.620
177 3HD1 LEU 23 HD13 LEU 23 51.304 -7.196 0.333
178 1HD2 LEU 23 HD21 LEU 23 47.698 -6.068 -0.398
179 2HD2 LEU 23 HD22 LEU 23 47.160 -6.897 1.065
180 3HD2 LEU 23 HD23 LEU 23 47.856 -7.820 -0.268
181 H ILE 24 HN ILE 24 50.815 -5.951 5.393
182 HA ILE 24 HA ILE 24 52.859 -4.724 3.581
183 HB ILE 24 HB ILE 24 52.203 -3.781 6.386
184 1HG1 ILE 24 HG12 ILE 24 50.287 -3.292 4.950
185 2HG1 ILE 24 HG11 ILE 24 51.197 -1.803 5.195
186 1HG2 ILE 24 HG21 ILE 24 54.397 -3.121 5.882
187 2HG2 ILE 24 HG22 ILE 24 53.457 -1.739 5.319
188 3HG2 ILE 24 HG23 ILE 24 54.049 -2.933 4.166
189 1HD1 ILE 24 HD11 ILE 24 52.449 -2.668 2.991
190 2HD1 ILE 24 HD12 ILE 24 50.982 -1.695 2.915
191 3HD1 ILE 24 HD13 ILE 24 50.887 -3.445 2.731
192 H ARG 25 HN ARG 25 54.794 -5.633 3.705
193 HA ARG 25 HA ARG 25 55.936 -6.532 6.260
194 1HB ARG 25 HB2 ARG 25 55.609 -8.458 3.940
195 2HB ARG 25 HB1 ARG 25 56.735 -8.701 5.269
196 1HG ARG 25 HG2 ARG 25 54.827 -8.614 6.859
197 2HG ARG 25 HG1 ARG 25 53.725 -8.495 5.480
198 1HD ARG 25 HD2 ARG 25 54.769 -10.644 4.607
199 2HD ARG 25 HD1 ARG 25 55.593 -10.778 6.157
200 HE ARG 25 HE ARG 25 52.842 -10.417 6.713
201 1HH1 ARG 25 HH21 ARG 25 54.982 -12.638 5.171
202 2HH1 ARG 25 HH22 ARG 25 54.021 -14.029 5.546
203 1HH2 ARG 25 HH11 ARG 25 51.580 -12.222 7.216
204 2HH2 ARG 25 HH12 ARG 25 52.095 -13.794 6.704
205 H CYS 26 HN CYS 26 58.337 -7.197 5.683
206 HA CYS 26 HA CYS 26 59.358 -5.148 3.853
207 1HB CYS 26 HB2 CYS 26 60.295 -6.750 6.074
208 2HB CYS 26 HB1 CYS 26 61.486 -6.581 4.812
209 H ILE 27 HN ILE 27 60.867 -5.752 2.121
210 HA ILE 27 HA ILE 27 60.226 -8.239 0.802
211 HB ILE 27 HB ILE 27 61.231 -6.136 -0.287
212 1HG1 ILE 27 HG12 ILE 27 62.829 -8.612 -0.879
213 2HG1 ILE 27 HG11 ILE 27 61.091 -8.587 -1.164
214 1HG2 ILE 27 HG21 ILE 27 63.924 -7.250 0.258
215 2HG2 ILE 27 HG22 ILE 27 63.165 -6.410 1.609
216 3HG2 ILE 27 HG23 ILE 27 63.418 -5.572 0.079
217 1HD1 ILE 27 HD11 ILE 27 61.329 -7.308 -3.023
218 2HD1 ILE 27 HD12 ILE 27 63.058 -7.639 -2.913
219 3HD1 ILE 27 HD13 ILE 27 62.392 -6.178 -2.185
220 H ASN 28 HN ASN 28 62.476 -7.181 3.214
221 HA ASN 28 HA ASN 28 63.761 -9.874 3.269
222 1HB ASN 28 HB2 ASN 28 65.726 -8.807 3.651
223 2HB ASN 28 HB1 ASN 28 64.896 -7.294 3.345
224 1HD2 ASN 28 HD21 ASN 28 65.563 -5.898 5.005
225 2HD2 ASN 28 HD22 ASN 28 65.570 -6.286 6.653
226 H CYS 29 HN CYS 29 62.900 -7.271 5.564
227 HA CYS 29 HA CYS 29 62.633 -9.141 7.748
228 1HB CYS 29 HB2 CYS 29 61.400 -6.403 7.871
229 2HB CYS 29 HB1 CYS 29 62.259 -7.290 9.122
230 H GLN 30 HN GLN 30 61.123 -10.413 6.220
231 HA GLN 30 HA GLN 30 58.526 -9.851 5.557
232 1HB GLN 30 HB2 GLN 30 59.416 -12.385 6.965
233 2HB GLN 30 HB1 GLN 30 58.019 -12.218 5.893
234 1HG GLN 30 HG2 GLN 30 60.908 -11.777 5.139
235 2HG GLN 30 HG1 GLN 30 59.903 -13.120 4.648
236 1HE2 GLN 30 HE21 GLN 30 60.920 -10.062 3.805
237 2HE2 GLN 30 HE22 GLN 30 59.782 -9.711 2.617
238 H LYS 31 HN LYS 31 59.785 -10.422 8.815
239 HA LYS 31 HA LYS 31 57.352 -10.741 10.204
240 1HB LYS 31 HB2 LYS 31 60.008 -9.532 10.862
241 2HB LYS 31 HB1 LYS 31 58.660 -9.116 11.921
242 1HG LYS 31 HG2 LYS 31 59.600 -11.067 12.889
243 2HG LYS 31 HG1 LYS 31 58.180 -11.645 12.017
244 1HD LYS 31 HD2 LYS 31 59.670 -12.162 10.062
245 2HD LYS 31 HD1 LYS 31 61.057 -11.747 11.070
246 1HE LYS 31 HE2 LYS 31 60.225 -13.472 12.737
247 2HE LYS 31 HE1 LYS 31 59.067 -13.985 11.508
248 1HZ LYS 31 HZ1 LYS 31 61.026 -14.258 9.993
249 2HZ LYS 31 HZ2 LYS 31 60.955 -15.359 11.286
250 3HZ LYS 31 HZ3 LYS 31 62.026 -14.041 11.344
251 HA PRO 32 HA PRO 32 54.918 -7.152 9.570
252 1HB PRO 32 HB2 PRO 32 55.359 -6.418 12.449
253 2HB PRO 32 HB1 PRO 32 53.844 -6.469 11.519
254 1HG PRO 32 HG2 PRO 32 54.430 -8.427 13.172
255 2HG PRO 32 HG1 PRO 32 53.728 -8.784 11.590
256 1HD PRO 32 HD2 PRO 32 56.552 -9.146 12.521
257 2HD PRO 32 HD1 PRO 32 55.606 -10.119 11.370
258 H LEU 33 HN LEU 33 55.190 -5.010 9.003
259 HA LEU 33 HA LEU 33 57.945 -3.923 9.194
260 1HB LEU 33 HB2 LEU 33 56.608 -4.167 7.034
261 2HB LEU 33 HB1 LEU 33 55.572 -2.902 7.663
262 HG LEU 33 HG LEU 33 57.717 -1.510 7.944
263 1HD1 LEU 33 HD11 LEU 33 59.647 -2.572 7.437
264 2HD1 LEU 33 HD12 LEU 33 59.110 -2.664 5.758
265 3HD1 LEU 33 HD13 LEU 33 58.764 -3.989 6.872
266 1HD2 LEU 33 HD21 LEU 33 55.947 -1.186 6.180
267 2HD2 LEU 33 HD22 LEU 33 56.859 -2.265 5.126
268 3HD2 LEU 33 HD23 LEU 33 57.561 -0.730 5.637
269 H SER 34 HN SER 34 58.459 -2.337 10.519
270 HA SER 34 HA SER 34 56.630 -1.263 12.377
271 1HB SER 34 HB2 SER 34 58.615 -0.618 13.271
272 2HB SER 34 HB1 SER 34 59.447 -0.990 11.764
273 HG SER 34 HG SER 34 59.518 1.068 11.381
274 HA PRO 35 HA PRO 35 54.581 1.300 9.490
275 1HB PRO 35 HB2 PRO 35 53.653 3.198 11.321
276 2HB PRO 35 HB1 PRO 35 52.845 1.697 10.841
277 1HG PRO 35 HG2 PRO 35 54.337 2.304 13.289
278 2HG PRO 35 HG1 PRO 35 53.051 1.131 12.999
279 1HD PRO 35 HD2 PRO 35 55.709 0.479 13.280
280 2HD PRO 35 HD1 PRO 35 54.500 -0.533 12.459
281 H GLU 36 HN GLU 36 57.251 2.202 11.349
282 HA GLU 36 HA GLU 36 57.430 4.990 10.673
283 1HB GLU 36 HB2 GLU 36 58.917 3.809 12.322
284 2HB GLU 36 HB1 GLU 36 59.724 3.022 10.965
285 1HG GLU 36 HG2 GLU 36 60.285 5.270 10.040
286 2HG GLU 36 HG1 GLU 36 59.569 6.008 11.473
287 H GLU 37 HN GLU 37 58.505 2.035 8.974
288 HA GLU 37 HA GLU 37 59.581 3.494 6.710
289 1HB GLU 37 HB2 GLU 37 58.656 0.616 6.970
290 2HB GLU 37 HB1 GLU 37 59.494 1.273 5.562
291 1HG GLU 37 HG2 GLU 37 61.398 1.916 7.032
292 2HG GLU 37 HG1 GLU 37 60.569 1.162 8.395
293 H LYS 38 HN LYS 38 56.458 2.038 7.519
294 HA LYS 38 HA LYS 38 55.179 2.376 4.990
295 1HB LYS 38 HB2 LYS 38 53.991 2.675 7.775
296 2HB LYS 38 HB1 LYS 38 53.072 2.452 6.295
297 1HG LYS 38 HG2 LYS 38 54.189 0.254 5.977
298 2HG LYS 38 HG1 LYS 38 55.004 0.473 7.526
299 1HD LYS 38 HD2 LYS 38 52.710 0.768 8.579
300 2HD LYS 38 HD1 LYS 38 52.022 0.278 7.034
301 1HE LYS 38 HE2 LYS 38 53.874 -1.667 7.440
302 2HE LYS 38 HE1 LYS 38 53.353 -1.348 9.087
303 1HZ LYS 38 HZ1 LYS 38 51.988 -3.040 7.987
304 2HZ LYS 38 HZ2 LYS 38 51.533 -1.905 6.811
305 3HZ LYS 38 HZ3 LYS 38 51.078 -1.680 8.430
306 H GLN 39 HN GLN 39 55.679 4.410 7.805
307 HA GLN 39 HA GLN 39 54.156 6.615 6.933
308 1HB GLN 39 HB2 GLN 39 55.021 6.388 9.248
309 2HB GLN 39 HB1 GLN 39 56.649 6.726 8.646
310 1HG GLN 39 HG2 GLN 39 55.640 8.801 9.464
311 2HG GLN 39 HG1 GLN 39 55.812 8.880 7.705
312 1HE2 GLN 39 HE21 GLN 39 53.894 8.411 6.407
313 2HE2 GLN 39 HE22 GLN 39 52.343 8.636 7.041
314 H ARG 40 HN ARG 40 57.570 5.841 6.328
315 HA ARG 40 HA ARG 40 58.192 8.265 4.968
316 1HB ARG 40 HB2 ARG 40 59.869 6.515 5.621
317 2HB ARG 40 HB1 ARG 40 59.218 5.467 4.364
318 1HG ARG 40 HG2 ARG 40 61.125 6.503 3.388
319 2HG ARG 40 HG1 ARG 40 59.740 7.362 2.719
320 1HD ARG 40 HD2 ARG 40 60.041 9.149 4.414
321 2HD ARG 40 HD1 ARG 40 61.441 8.290 5.056
322 HE ARG 40 HE ARG 40 62.175 8.576 2.470
323 1HH1 ARG 40 HH21 ARG 40 60.672 10.732 4.702
324 2HH1 ARG 40 HH22 ARG 40 61.365 12.154 3.997
325 1HH2 ARG 40 HH11 ARG 40 63.092 10.418 1.542
326 2HH2 ARG 40 HH12 ARG 40 62.735 11.976 2.208
327 H HIS 41 HN HIS 41 56.731 5.227 3.919
328 HA HIS 41 HA HIS 41 56.592 5.793 1.118
329 1HB HIS 41 HB2 HIS 41 54.574 4.227 2.757
330 2HB HIS 41 HB1 HIS 41 54.925 4.043 1.046
331 HD1 HIS 41 HD1 HIS 41 55.264 1.655 2.982
332 HD2 HIS 41 HD2 HIS 41 58.356 4.251 1.963
333 HE1 HIS 41 HE1 HIS 41 57.420 0.411 3.434
334 H LEU 42 HN LEU 42 54.239 6.265 3.726
335 HA LEU 42 HA LEU 42 52.264 7.609 2.136
336 1HB LEU 42 HB2 LEU 42 52.784 7.801 5.123
337 2HB LEU 42 HB1 LEU 42 51.278 8.214 4.301
338 HG LEU 42 HG LEU 42 52.552 5.464 4.406
339 1HD1 LEU 42 HD11 LEU 42 51.301 5.084 6.232
340 2HD1 LEU 42 HD12 LEU 42 49.851 5.653 5.406
341 3HD1 LEU 42 HD13 LEU 42 50.892 6.797 6.251
342 1HD2 LEU 42 HD21 LEU 42 51.432 5.219 2.441
343 2HD2 LEU 42 HD22 LEU 42 50.430 6.641 2.718
344 3HD2 LEU 42 HD23 LEU 42 50.012 5.108 3.478
345 H ASP 43 HN ASP 43 55.074 8.646 3.934
346 HA ASP 43 HA ASP 43 54.630 11.427 4.026
347 1HB ASP 43 HB2 ASP 43 57.212 9.866 3.780
348 2HB ASP 43 HB1 ASP 43 57.138 11.596 4.115
349 H LYS 44 HN LYS 44 55.889 9.338 1.536
350 HA LYS 44 HA LYS 44 55.270 10.034 -0.804
351 1HB LYS 44 HB2 LYS 44 54.882 12.408 -0.212
352 2HB LYS 44 HB1 LYS 44 56.619 12.621 0.034
353 1HG LYS 44 HG2 LYS 44 56.161 13.392 -2.175
354 2HG LYS 44 HG1 LYS 44 56.888 11.796 -2.374
355 1HD LYS 44 HD2 LYS 44 54.767 10.768 -2.752
356 2HD LYS 44 HD1 LYS 44 53.898 12.205 -2.218
357 1HE LYS 44 HE2 LYS 44 55.529 13.153 -4.263
358 2HE LYS 44 HE1 LYS 44 55.040 11.564 -4.846
359 1HZ LYS 44 HZ1 LYS 44 53.553 13.872 -4.913
360 2HZ LYS 44 HZ2 LYS 44 52.859 12.954 -3.663
361 3HZ LYS 44 HZ3 LYS 44 52.996 12.300 -5.224
362 H LYS 45 HN LYS 45 56.824 8.219 -0.377
363 HA LYS 45 HA LYS 45 59.666 8.698 -0.410
364 1HB LYS 45 HB2 LYS 45 58.594 6.496 0.197
365 2HB LYS 45 HB1 LYS 45 58.227 6.270 -1.516
366 1HG LYS 45 HG2 LYS 45 60.657 6.517 -2.042
367 2HG LYS 45 HG1 LYS 45 60.987 6.633 -0.310
368 1HD LYS 45 HD2 LYS 45 59.919 4.396 0.007
369 2HD LYS 45 HD1 LYS 45 59.749 4.268 -1.744
370 1HE LYS 45 HE2 LYS 45 62.363 4.594 -0.240
371 2HE LYS 45 HE1 LYS 45 61.783 3.106 -0.987
372 1HZ LYS 45 HZ1 LYS 45 63.324 4.966 -2.201
373 2HZ LYS 45 HZ2 LYS 45 61.770 5.363 -2.765
374 3HZ LYS 45 HZ3 LYS 45 62.389 3.799 -3.002
375 H GLN 46 HN GLN 46 61.097 8.724 -2.227
376 HA GLN 46 HA GLN 46 60.218 10.063 -4.525
377 1HB GLN 46 HB2 GLN 46 62.626 9.613 -3.839
378 2HB GLN 46 HB1 GLN 46 62.433 7.990 -4.499
379 1HG GLN 46 HG2 GLN 46 61.785 9.014 -6.689
380 2HG GLN 46 HG1 GLN 46 62.153 10.600 -6.009
381 1HE2 GLN 46 HE21 GLN 46 64.334 11.225 -5.896
382 2HE2 GLN 46 HE22 GLN 46 65.631 10.245 -6.385
383 H ARG 47 HN ARG 47 60.401 6.567 -3.873
384 HA ARG 47 HA ARG 47 58.264 6.161 -5.825
385 1HB ARG 47 HB2 ARG 47 60.984 4.896 -6.235
386 2HB ARG 47 HB1 ARG 47 59.516 4.384 -7.069
387 1HG ARG 47 HG2 ARG 47 59.245 6.715 -7.927
388 2HG ARG 47 HG1 ARG 47 60.793 7.128 -7.191
389 1HD ARG 47 HD2 ARG 47 61.849 5.285 -8.536
390 2HD ARG 47 HD1 ARG 47 60.308 5.089 -9.374
391 HE ARG 47 HE ARG 47 60.743 7.729 -9.750
392 1HH1 ARG 47 HH21 ARG 47 62.819 4.982 -9.948
393 2HH1 ARG 47 HH22 ARG 47 63.847 5.678 -11.155
394 1HH2 ARG 47 HH11 ARG 47 62.074 8.654 -11.325
395 2HH2 ARG 47 HH12 ARG 47 63.425 7.758 -11.934
396 H PHE 48 HN PHE 48 56.896 5.007 -4.546
397 HA PHE 48 HA PHE 48 58.062 2.746 -2.969
398 1HB PHE 48 HB2 PHE 48 56.806 4.603 -1.701
399 2HB PHE 48 HB1 PHE 48 55.352 4.039 -2.515
400 HD1 PHE 48 HD1 PHE 48 54.008 2.820 -1.061
401 HD2 PHE 48 HD2 PHE 48 58.269 2.281 -0.906
402 HE1 PHE 48 HE1 PHE 48 53.727 1.029 0.635
403 HE2 PHE 48 HE2 PHE 48 57.983 0.493 0.778
404 HZ PHE 48 HZ PHE 48 55.721 -0.141 1.549
405 H HIS 49 HN HIS 49 57.415 0.681 -3.679
406 HA HIS 49 HA HIS 49 55.396 0.723 -5.896
407 1HB HIS 49 HB2 HIS 49 57.764 -1.097 -5.450
408 2HB HIS 49 HB1 HIS 49 56.634 -1.240 -6.783
409 HD1 HIS 49 HD1 HIS 49 56.369 1.274 -8.104
410 HD2 HIS 49 HD2 HIS 49 59.947 0.386 -6.153
411 HE1 HIS 49 HE1 HIS 49 58.119 2.823 -9.081
412 H ASN 50 HN ASN 50 53.792 -0.763 -6.009
413 HA ASN 50 HA ASN 50 53.484 -2.602 -3.678
414 1HB ASN 50 HB2 ASN 50 51.696 -0.869 -3.959
415 2HB ASN 50 HB1 ASN 50 51.323 -1.568 -5.513
416 1HD2 ASN 50 HD21 ASN 50 51.688 -2.622 -2.087
417 2HD2 ASN 50 HD22 ASN 50 50.444 -3.773 -2.161
418 H ILE 51 HN ILE 51 53.585 -4.708 -4.096
419 HA ILE 51 HA ILE 51 53.249 -5.665 -6.912
420 HB ILE 51 HB ILE 51 54.660 -7.060 -4.614
421 1HG1 ILE 51 HG12 ILE 51 55.982 -5.122 -5.095
422 2HG1 ILE 51 HG11 ILE 51 56.749 -6.461 -5.948
423 1HG2 ILE 51 HG21 ILE 51 53.646 -8.179 -6.843
424 2HG2 ILE 51 HG22 ILE 51 55.137 -8.748 -6.093
425 3HG2 ILE 51 HG23 ILE 51 55.207 -7.656 -7.475
426 1HD1 ILE 51 HD11 ILE 51 55.134 -4.189 -7.060
427 2HD1 ILE 51 HD12 ILE 51 55.184 -5.725 -7.928
428 3HD1 ILE 51 HD13 ILE 51 56.676 -4.842 -7.614
429 H ARG 52 HN ARG 52 51.601 -7.246 -7.208
430 HA ARG 52 HA ARG 52 49.546 -7.345 -5.276
431 1HB ARG 52 HB2 ARG 52 49.278 -7.974 -7.686
432 2HB ARG 52 HB1 ARG 52 50.161 -9.463 -7.361
433 1HG ARG 52 HG2 ARG 52 47.864 -10.068 -7.235
434 2HG ARG 52 HG1 ARG 52 48.397 -9.938 -5.561
435 1HD ARG 52 HD2 ARG 52 47.468 -7.629 -5.466
436 2HD ARG 52 HD1 ARG 52 46.894 -7.814 -7.122
437 HE ARG 52 HE ARG 52 45.203 -9.303 -6.326
438 1HH1 ARG 52 HH21 ARG 52 47.489 -8.360 -3.924
439 2HH1 ARG 52 HH22 ARG 52 46.555 -8.977 -2.601
440 1HH2 ARG 52 HH11 ARG 52 43.971 -10.118 -4.615
441 2HH2 ARG 52 HH12 ARG 52 44.563 -9.972 -2.993
442 H GLY 53 HN GLY 53 49.606 -8.221 -3.317
443 1HA GLY 53 HA2 GLY 53 49.712 -10.068 -1.797
444 2HA GLY 53 HA1 GLY 53 50.765 -10.913 -2.933
445 H ARG 54 HN ARG 54 52.339 -8.272 -3.183
446 HA ARG 54 HA ARG 54 53.680 -8.299 -0.524
447 1HB ARG 54 HB2 ARG 54 54.831 -9.916 -2.027
448 2HB ARG 54 HB1 ARG 54 55.145 -8.602 -3.157
449 1HG ARG 54 HG2 ARG 54 56.361 -7.386 -1.349
450 2HG ARG 54 HG1 ARG 54 56.124 -8.781 -0.295
451 1HD ARG 54 HD2 ARG 54 57.580 -8.814 -2.956
452 2HD ARG 54 HD1 ARG 54 58.345 -8.859 -1.368
453 HE ARG 54 HE ARG 54 56.636 -11.012 -1.278
454 1HH1 ARG 54 HH21 ARG 54 59.000 -9.853 -3.500
455 2HH1 ARG 54 HH22 ARG 54 59.432 -11.431 -4.071
456 1HH2 ARG 54 HH11 ARG 54 57.181 -13.079 -2.012
457 2HH2 ARG 54 HH12 ARG 54 58.401 -13.257 -3.229
458 H TRP 55 HN TRP 55 54.691 -6.347 0.033
459 HA TRP 55 HA TRP 55 54.231 -4.079 -1.865
460 1HB TRP 55 HB2 TRP 55 53.600 -4.410 0.908
461 2HB TRP 55 HB1 TRP 55 54.848 -3.167 0.787
462 HD1 TRP 55 HD1 TRP 55 51.200 -3.618 0.423
463 HE1 TRP 55 HE1 TRP 55 50.153 -1.565 -0.737
464 HE3 TRP 55 HE3 TRP 55 55.423 -1.332 -1.250
465 HZ2 TRP 55 HZ2 TRP 55 51.021 0.745 -2.215
466 HZ3 TRP 55 HZ3 TRP 55 55.294 0.788 -2.503
467 HH2 TRP 55 HH2 TRP 55 53.113 1.827 -3.000
468 H THR 56 HN THR 56 56.072 -2.711 -2.354
469 HA THR 56 HA THR 56 58.600 -3.595 -1.038
470 HB THR 56 HB THR 56 59.777 -3.689 -3.123
471 HG1 THR 56 HG1 THR 56 57.444 -2.461 -4.094
472 1HG2 THR 56 HG21 THR 56 58.241 -5.287 -4.453
473 2HG2 THR 56 HG22 THR 56 57.072 -5.017 -3.160
474 3HG2 THR 56 HG23 THR 56 58.642 -5.731 -2.795
475 H GLY 57 HN GLY 57 60.457 -2.046 -1.485
476 1HA GLY 57 HA2 GLY 57 61.284 0.206 -1.774
477 2HA GLY 57 HA1 GLY 57 59.612 0.790 -1.824
478 H ARG 58 HN ARG 58 59.862 -1.532 0.388
479 HA ARG 58 HA ARG 58 59.781 0.299 2.700
480 1HB ARG 58 HB2 ARG 58 58.708 -1.618 3.749
481 2HB ARG 58 HB1 ARG 58 57.960 -1.298 2.182
482 1HG ARG 58 HG2 ARG 58 59.680 -2.982 1.233
483 2HG ARG 58 HG1 ARG 58 59.919 -3.474 2.915
484 1HD ARG 58 HD2 ARG 58 57.465 -3.799 3.086
485 2HD ARG 58 HD1 ARG 58 57.335 -3.500 1.361
486 HE ARG 58 HE ARG 58 59.310 -5.551 1.887
487 1HH1 ARG 58 HH21 ARG 58 55.925 -4.917 1.710
488 2HH1 ARG 58 HH22 ARG 58 55.514 -6.525 1.214
489 1HH2 ARG 58 HH11 ARG 58 58.785 -7.654 1.249
490 2HH2 ARG 58 HH12 ARG 58 57.134 -8.072 0.951
491 H CYS 59 HN CYS 59 61.255 -2.865 1.982
492 HA CYS 59 HA CYS 59 62.881 -2.768 4.291
493 1HB CYS 59 HB2 CYS 59 62.236 -4.769 2.758
494 2HB CYS 59 HB1 CYS 59 63.685 -4.310 1.860
495 H MET 60 HN MET 60 63.302 -1.478 1.039
496 HA MET 60 HA MET 60 66.109 -1.049 1.170
497 1HB MET 60 HB2 MET 60 63.969 0.733 -0.043
498 2HB MET 60 HB1 MET 60 65.702 0.903 -0.330
499 1HG MET 60 HG2 MET 60 63.987 -1.496 -1.022
500 2HG MET 60 HG1 MET 60 64.729 -0.365 -2.147
501 1HE MET 60 HE1 MET 60 68.349 -0.875 -2.110
502 2HE MET 60 HE2 MET 60 67.855 -0.059 -0.628
503 3HE MET 60 HE3 MET 60 67.000 0.270 -2.133
504 H SER 61 HN SER 61 63.367 0.623 2.627
505 HA SER 61 HA SER 61 64.787 2.868 3.666
506 1HB SER 61 HB2 SER 61 62.550 1.324 5.028
507 2HB SER 61 HB1 SER 61 63.021 2.989 5.355
508 HG SER 61 HG SER 61 61.202 2.323 3.734
509 H CYS 62 HN CYS 62 64.480 -0.507 4.661
510 HA CYS 62 HA CYS 62 65.847 -0.275 7.168
511 1HB CYS 62 HB2 CYS 62 65.743 -2.670 5.279
512 2HB CYS 62 HB1 CYS 62 66.304 -2.690 6.924
513 H SER 63 HN SER 63 66.914 -0.280 3.835
514 HA SER 63 HA SER 63 69.747 -0.330 4.828
515 1HB SER 63 HB2 SER 63 69.136 -2.150 3.228
516 2HB SER 63 HB1 SER 63 68.732 -0.921 2.033
517 HG SER 63 HG SER 63 71.194 -1.779 2.974
518 H ARG 64 HN ARG 64 71.099 1.379 4.240
519 HA ARG 64 HA ARG 64 69.810 3.573 2.668
520 1HB ARG 64 HB2 ARG 64 71.637 3.794 5.080
521 2HB ARG 64 HB1 ARG 64 71.098 5.161 4.102
522 1HG ARG 64 HG2 ARG 64 68.731 4.524 4.596
523 2HG ARG 64 HG1 ARG 64 69.332 3.263 5.673
524 1HD ARG 64 HD2 ARG 64 69.833 6.241 5.955
525 2HD ARG 64 HD1 ARG 64 68.777 5.262 6.973
526 HE ARG 64 HE ARG 64 71.726 5.273 7.046
527 1HH1 ARG 64 HH21 ARG 64 68.719 3.831 7.918
528 2HH1 ARG 64 HH22 ARG 64 69.370 2.973 9.274
529 1HH2 ARG 64 HH11 ARG 64 72.596 4.163 8.812
530 2HH2 ARG 64 HH12 ARG 64 71.567 3.162 9.782
531 H SER 65 HN SER 65 71.213 4.774 1.296
532 HA SER 65 HA SER 65 73.292 3.289 0.036
533 1HB SER 65 HB2 SER 65 73.741 5.309 -1.224
534 2HB SER 65 HB1 SER 65 71.999 5.181 -1.000
535 HG SER 65 HG SER 65 72.477 6.508 0.982
536 H SER 66 HN SER 66 73.325 5.482 2.764
537 HA SER 66 HA SER 66 76.101 6.137 2.773
538 1HB SER 66 HB2 SER 66 75.791 6.685 5.115
539 2HB SER 66 HB1 SER 66 74.341 7.175 4.245
540 HG SER 66 HG SER 66 73.704 4.850 4.844
541 H ARG 67 HN ARG 67 74.372 3.234 3.670
542 HA ARG 67 HA ARG 67 75.974 1.849 5.390
543 1HB ARG 67 HB2 ARG 67 75.417 -0.200 4.202
544 2HB ARG 67 HB1 ARG 67 74.030 0.888 4.127
545 1HG ARG 67 HG2 ARG 67 74.905 1.684 1.883
546 2HG ARG 67 HG1 ARG 67 76.072 0.363 1.954
547 1HD ARG 67 HD2 ARG 67 74.174 -1.242 2.216
548 2HD ARG 67 HD1 ARG 67 73.051 0.102 2.002
549 HE ARG 67 HE ARG 67 74.807 0.146 -0.211
550 1HH1 ARG 67 HH21 ARG 67 72.468 -1.906 1.273
551 2HH1 ARG 67 HH22 ARG 67 71.976 -2.644 -0.214
552 1HH2 ARG 67 HH11 ARG 67 74.179 -0.806 -2.162
553 2HH2 ARG 67 HH12 ARG 67 72.945 -2.021 -2.161
Start of MODEL 3
1 H ALA 1 HT1 ALA 1 54.354 -5.113 -7.447
2 HA ALA 1 HA ALA 1 55.686 -3.476 -6.019
3 1HB ALA 1 HB1 ALA 1 58.078 -3.625 -7.372
4 2HB ALA 1 HB2 ALA 1 57.719 -5.326 -7.077
5 3HB ALA 1 HB3 ALA 1 57.826 -4.199 -5.725
6 H MET 2 HN MET 2 57.185 -4.179 -9.133
7 HA MET 2 HA MET 2 56.429 -1.693 -10.293
8 1HB MET 2 HB2 MET 2 58.223 -3.236 -11.181
9 2HB MET 2 HB1 MET 2 56.941 -4.290 -11.782
10 1HG MET 2 HG2 MET 2 56.027 -2.332 -13.067
11 2HG MET 2 HG1 MET 2 57.448 -1.409 -12.577
12 1HE MET 2 HE1 MET 2 59.605 -2.251 -12.584
13 2HE MET 2 HE2 MET 2 60.353 -2.616 -14.136
14 3HE MET 2 HE3 MET 2 59.975 -3.925 -13.020
15 H SER 3 HN SER 3 54.815 -4.818 -10.071
16 HA SER 3 HA SER 3 52.788 -4.435 -12.006
17 1HB SER 3 HB2 SER 3 52.549 -5.760 -9.284
18 2HB SER 3 HB1 SER 3 51.462 -6.011 -10.651
19 HG SER 3 HG SER 3 53.592 -7.366 -10.131
20 H TYR 4 HN TYR 4 52.903 -3.373 -8.572
21 HA TYR 4 HA TYR 4 50.994 -1.256 -9.352
22 1HB TYR 4 HB2 TYR 4 49.598 -3.130 -8.494
23 2HB TYR 4 HB1 TYR 4 50.453 -3.034 -6.958
24 HD1 TYR 4 HD1 TYR 4 50.021 -1.234 -5.395
25 HD2 TYR 4 HD2 TYR 4 48.267 -1.230 -9.309
26 HE1 TYR 4 HE1 TYR 4 48.553 0.643 -4.732
27 HE2 TYR 4 HE2 TYR 4 46.794 0.642 -8.652
28 HH TYR 4 HH TYR 4 45.866 1.482 -6.189
29 H SER 5 HN SER 5 51.464 0.683 -8.287
30 HA SER 5 HA SER 5 53.381 0.506 -5.993
31 1HB SER 5 HB2 SER 5 53.549 2.411 -8.304
32 2HB SER 5 HB1 SER 5 54.653 2.363 -6.946
33 HG SER 5 HG SER 5 55.702 0.954 -8.098
34 H LEU 6 HN LEU 6 53.292 2.267 -4.507
35 HA LEU 6 HA LEU 6 50.885 4.031 -4.807
36 1HB LEU 6 HB2 LEU 6 50.905 2.459 -2.832
37 2HB LEU 6 HB1 LEU 6 52.361 3.259 -2.266
38 HG LEU 6 HG LEU 6 51.049 5.424 -2.324
39 1HD1 LEU 6 HD11 LEU 6 48.985 5.348 -3.239
40 2HD1 LEU 6 HD12 LEU 6 48.479 4.298 -1.916
41 3HD1 LEU 6 HD13 LEU 6 49.095 3.596 -3.411
42 1HD2 LEU 6 HD21 LEU 6 51.217 4.858 -0.130
43 2HD2 LEU 6 HD22 LEU 6 50.889 3.156 -0.462
44 3HD2 LEU 6 HD23 LEU 6 49.553 4.295 -0.284
45 H TYR 7 HN TYR 7 51.533 6.094 -5.380
46 HA TYR 7 HA TYR 7 54.276 6.915 -5.313
47 1HB TYR 7 HB2 TYR 7 52.567 7.878 -6.872
48 2HB TYR 7 HB1 TYR 7 51.885 8.749 -5.493
49 HD1 TYR 7 HD1 TYR 7 54.664 8.531 -7.848
50 HD2 TYR 7 HD2 TYR 7 53.293 10.398 -4.233
51 HE1 TYR 7 HE1 TYR 7 56.481 10.207 -8.026
52 HE2 TYR 7 HE2 TYR 7 55.096 12.091 -4.427
53 HH TYR 7 HH TYR 7 57.735 11.772 -6.096
54 H GLY 8 HN GLY 8 51.545 7.524 -3.148
55 1HA GLY 8 HA2 GLY 8 51.947 7.907 -0.760
56 2HA GLY 8 HA1 GLY 8 53.462 8.706 -1.190
57 H THR 9 HN THR 9 51.071 9.473 -3.405
58 HA THR 9 HA THR 9 50.846 12.238 -2.466
59 HB THR 9 HB THR 9 49.485 12.603 -4.480
60 HG1 THR 9 HG1 THR 9 49.803 10.230 -5.647
61 1HG2 THR 9 HG21 THR 9 51.650 10.894 -5.558
62 2HG2 THR 9 HG22 THR 9 52.128 12.172 -4.442
63 3HG2 THR 9 HG23 THR 9 51.252 12.571 -5.914
64 H THR 10 HN THR 10 48.456 13.148 -2.781
65 HA THR 10 HA THR 10 46.900 12.548 -0.582
66 HB THR 10 HB THR 10 45.830 13.273 -3.331
67 HG1 THR 10 HG1 THR 10 46.154 15.406 -2.597
68 1HG2 THR 10 HG21 THR 10 44.625 14.420 -0.898
69 2HG2 THR 10 HG22 THR 10 44.387 12.683 -1.095
70 3HG2 THR 10 HG23 THR 10 43.852 13.793 -2.352
71 H LEU 11 HN LEU 11 46.946 10.874 -3.679
72 HA LEU 11 HA LEU 11 44.664 9.236 -3.380
73 1HB LEU 11 HB2 LEU 11 47.318 8.554 -4.630
74 2HB LEU 11 HB1 LEU 11 45.796 7.720 -4.936
75 HG LEU 11 HG LEU 11 46.440 10.613 -5.566
76 1HD1 LEU 11 HD11 LEU 11 45.566 8.426 -7.457
77 2HD1 LEU 11 HD12 LEU 11 47.267 8.693 -7.077
78 3HD1 LEU 11 HD13 LEU 11 46.326 9.969 -7.847
79 1HD2 LEU 11 HD21 LEU 11 43.870 9.070 -5.456
80 2HD2 LEU 11 HD22 LEU 11 44.070 10.292 -6.712
81 3HD2 LEU 11 HD23 LEU 11 44.184 10.748 -5.012
82 H GLU 12 HN GLU 12 47.866 8.949 -1.932
83 HA GLU 12 HA GLU 12 47.785 6.242 -1.060
84 1HB GLU 12 HB2 GLU 12 49.534 6.841 0.432
85 2HB GLU 12 HB1 GLU 12 49.698 8.003 -0.887
86 1HG GLU 12 HG2 GLU 12 48.279 9.609 0.439
87 2HG GLU 12 HG1 GLU 12 48.315 8.470 1.778
88 H GLN 13 HN GLN 13 46.070 9.024 0.018
89 HA GLN 13 HA GLN 13 45.522 8.458 2.712
90 1HB GLN 13 HB2 GLN 13 43.802 9.709 0.558
91 2HB GLN 13 HB1 GLN 13 43.499 9.851 2.294
92 1HG GLN 13 HG2 GLN 13 45.646 10.913 2.643
93 2HG GLN 13 HG1 GLN 13 46.099 10.654 0.962
94 1HE2 GLN 13 HE21 GLN 13 46.344 13.091 0.986
95 2HE2 GLN 13 HE22 GLN 13 44.966 14.011 0.654
96 H GLN 14 HN GLN 14 43.875 7.149 -0.207
97 HA GLN 14 HA GLN 14 41.725 5.888 1.196
98 1HB GLN 14 HB2 GLN 14 41.942 6.056 -1.318
99 2HB GLN 14 HB1 GLN 14 43.173 4.795 -1.240
100 1HG GLN 14 HG2 GLN 14 41.550 3.260 -0.200
101 2HG GLN 14 HG1 GLN 14 40.316 4.520 -0.258
102 1HE2 GLN 14 HE21 GLN 14 39.691 2.205 -1.618
103 2HE2 GLN 14 HE22 GLN 14 39.823 2.436 -3.295
104 H TYR 15 HN TYR 15 45.009 4.859 0.449
105 HA TYR 15 HA TYR 15 44.854 2.255 1.656
106 1HB TYR 15 HB2 TYR 15 47.211 4.081 1.086
107 2HB TYR 15 HB1 TYR 15 47.346 2.383 1.550
108 HD1 TYR 15 HD1 TYR 15 46.858 0.619 -0.006
109 HD2 TYR 15 HD2 TYR 15 46.119 4.706 -1.074
110 HE1 TYR 15 HE1 TYR 15 46.451 -0.080 -2.340
111 HE2 TYR 15 HE2 TYR 15 45.722 4.014 -3.423
112 HH TYR 15 HH TYR 15 45.346 0.707 -4.318
113 H ASN 16 HN ASN 16 45.573 5.479 2.858
114 HA ASN 16 HA ASN 16 46.860 4.866 5.277
115 1HB ASN 16 HB2 ASN 16 46.517 7.150 4.332
116 2HB ASN 16 HB1 ASN 16 44.833 7.073 4.853
117 1HD2 ASN 16 HD21 ASN 16 48.180 6.842 6.159
118 2HD2 ASN 16 HD22 ASN 16 47.782 7.439 7.697
119 H LYS 17 HN LYS 17 43.300 4.951 4.712
120 HA LYS 17 HA LYS 17 42.655 4.605 7.470
121 1HB LYS 17 HB2 LYS 17 40.667 3.213 5.976
122 2HB LYS 17 HB1 LYS 17 40.560 4.791 6.732
123 1HG LYS 17 HG2 LYS 17 41.037 5.934 4.775
124 2HG LYS 17 HG1 LYS 17 41.932 4.597 4.070
125 1HD LYS 17 HD2 LYS 17 39.696 4.986 2.998
126 2HD LYS 17 HD1 LYS 17 39.882 3.365 3.643
127 1HE LYS 17 HE2 LYS 17 37.698 4.227 4.272
128 2HE LYS 17 HE1 LYS 17 38.698 4.082 5.714
129 1HZ LYS 17 HZ1 LYS 17 37.803 6.488 4.306
130 2HZ LYS 17 HZ2 LYS 17 39.311 6.533 5.085
131 3HZ LYS 17 HZ3 LYS 17 37.904 6.187 5.971
132 HA PRO 18 HA PRO 18 42.648 -0.103 6.867
133 1HB PRO 18 HB2 PRO 18 42.993 -1.224 4.452
134 2HB PRO 18 HB1 PRO 18 41.444 -0.475 4.896
135 1HG PRO 18 HG2 PRO 18 43.663 0.603 3.222
136 2HG PRO 18 HG1 PRO 18 41.911 0.689 2.964
137 1HD PRO 18 HD2 PRO 18 43.418 2.738 4.056
138 2HD PRO 18 HD1 PRO 18 41.684 2.517 4.299
139 H LEU 19 HN LEU 19 45.199 1.844 5.837
140 HA LEU 19 HA LEU 19 47.132 0.123 4.874
141 1HB LEU 19 HB2 LEU 19 47.512 2.545 5.295
142 2HB LEU 19 HB1 LEU 19 47.657 2.193 7.018
143 HG LEU 19 HG LEU 19 49.500 0.567 6.451
144 1HD1 LEU 19 HD11 LEU 19 48.888 1.687 3.729
145 2HD1 LEU 19 HD12 LEU 19 49.224 0.020 4.194
146 3HD1 LEU 19 HD13 LEU 19 50.537 1.194 4.114
147 1HD2 LEU 19 HD21 LEU 19 49.527 3.450 6.434
148 2HD2 LEU 19 HD22 LEU 19 50.795 2.843 5.366
149 3HD2 LEU 19 HD23 LEU 19 50.747 2.344 7.058
150 H SER 20 HN SER 20 46.224 0.450 8.362
151 HA SER 20 HA SER 20 48.143 -1.562 9.166
152 1HB SER 20 HB2 SER 20 46.840 -1.740 11.210
153 2HB SER 20 HB1 SER 20 46.878 -0.038 10.757
154 HG SER 20 HG SER 20 44.795 -0.116 10.568
155 H ASP 21 HN ASP 21 44.872 -1.523 7.931
156 HA ASP 21 HA ASP 21 44.348 -4.354 8.082
157 1HB ASP 21 HB2 ASP 21 43.127 -2.175 6.368
158 2HB ASP 21 HB1 ASP 21 42.530 -3.827 6.428
159 H LEU 22 HN LEU 22 45.907 -2.259 5.730
160 HA LEU 22 HA LEU 22 45.955 -4.246 3.614
161 1HB LEU 22 HB2 LEU 22 47.679 -1.774 3.920
162 2HB LEU 22 HB1 LEU 22 47.420 -2.692 2.440
163 HG LEU 22 HG LEU 22 45.325 -1.144 3.976
164 1HD1 LEU 22 HD11 LEU 22 47.122 -0.507 1.809
165 2HD1 LEU 22 HD12 LEU 22 46.027 0.554 2.697
166 3HD1 LEU 22 HD13 LEU 22 45.438 -0.352 1.302
167 1HD2 LEU 22 HD21 LEU 22 43.968 -1.752 1.853
168 2HD2 LEU 22 HD22 LEU 22 44.136 -2.979 3.109
169 3HD2 LEU 22 HD23 LEU 22 45.144 -3.054 1.662
170 H LEU 23 HN LEU 23 47.736 -5.400 2.871
171 HA LEU 23 HA LEU 23 49.458 -6.518 4.912
172 1HB LEU 23 HB2 LEU 23 50.373 -7.754 2.899
173 2HB LEU 23 HB1 LEU 23 48.618 -7.870 3.070
174 HG LEU 23 HG LEU 23 49.334 -5.481 1.580
175 1HD1 LEU 23 HD11 LEU 23 50.142 -6.678 -0.462
176 2HD1 LEU 23 HD12 LEU 23 50.349 -8.126 0.523
177 3HD1 LEU 23 HD13 LEU 23 51.306 -6.684 0.864
178 1HD2 LEU 23 HD21 LEU 23 47.722 -6.318 0.014
179 2HD2 LEU 23 HD22 LEU 23 47.124 -6.662 1.638
180 3HD2 LEU 23 HD23 LEU 23 47.848 -7.951 0.675
181 H ILE 24 HN ILE 24 51.190 -5.153 5.637
182 HA ILE 24 HA ILE 24 52.860 -3.992 3.428
183 HB ILE 24 HB ILE 24 52.670 -2.948 6.261
184 1HG1 ILE 24 HG12 ILE 24 50.510 -2.555 5.254
185 2HG1 ILE 24 HG11 ILE 24 51.403 -1.040 5.161
186 1HG2 ILE 24 HG21 ILE 24 54.391 -1.636 5.657
187 2HG2 ILE 24 HG22 ILE 24 53.498 -1.057 4.255
188 3HG2 ILE 24 HG23 ILE 24 54.489 -2.509 4.129
189 1HD1 ILE 24 HD11 ILE 24 52.160 -2.035 2.812
190 2HD1 ILE 24 HD12 ILE 24 50.635 -1.170 2.990
191 3HD1 ILE 24 HD13 ILE 24 50.649 -2.930 2.976
192 H ARG 25 HN ARG 25 54.857 -4.911 3.279
193 HA ARG 25 HA ARG 25 56.326 -5.664 5.706
194 1HB ARG 25 HB2 ARG 25 55.538 -7.747 3.660
195 2HB ARG 25 HB1 ARG 25 56.821 -7.978 4.848
196 1HG ARG 25 HG2 ARG 25 55.186 -7.546 6.671
197 2HG ARG 25 HG1 ARG 25 53.906 -7.399 5.461
198 1HD ARG 25 HD2 ARG 25 54.502 -9.728 4.678
199 2HD ARG 25 HD1 ARG 25 55.583 -9.848 6.066
200 HE ARG 25 HE ARG 25 53.037 -9.072 7.041
201 1HH1 ARG 25 HH21 ARG 25 54.603 -11.683 5.423
202 2HH1 ARG 25 HH22 ARG 25 53.557 -12.895 6.085
203 1HH2 ARG 25 HH11 ARG 25 51.660 -10.639 7.912
204 2HH2 ARG 25 HH12 ARG 25 51.890 -12.305 7.493
205 H CYS 26 HN CYS 26 58.540 -6.491 5.138
206 HA CYS 26 HA CYS 26 59.905 -4.734 3.326
207 1HB CYS 26 HB2 CYS 26 60.519 -6.880 5.211
208 2HB CYS 26 HB1 CYS 26 61.527 -6.970 3.776
209 H ILE 27 HN ILE 27 60.781 -5.249 1.273
210 HA ILE 27 HA ILE 27 59.341 -7.096 -0.377
211 HB ILE 27 HB ILE 27 60.833 -5.002 -1.014
212 1HG1 ILE 27 HG12 ILE 27 61.205 -7.421 -2.769
213 2HG1 ILE 27 HG11 ILE 27 59.601 -6.741 -2.528
214 1HG2 ILE 27 HG21 ILE 27 63.097 -5.425 -1.434
215 2HG2 ILE 27 HG22 ILE 27 62.843 -7.160 -1.575
216 3HG2 ILE 27 HG23 ILE 27 62.842 -6.406 0.012
217 1HD1 ILE 27 HD11 ILE 27 61.420 -4.582 -3.037
218 2HD1 ILE 27 HD12 ILE 27 60.054 -5.113 -4.020
219 3HD1 ILE 27 HD13 ILE 27 61.650 -5.812 -4.282
220 H ASN 28 HN ASN 28 62.164 -7.356 1.677
221 HA ASN 28 HA ASN 28 62.556 -10.165 0.689
222 1HB ASN 28 HB2 ASN 28 64.762 -9.751 0.323
223 2HB ASN 28 HB1 ASN 28 64.319 -8.055 0.392
224 1HD2 ASN 28 HD21 ASN 28 65.646 -6.916 1.799
225 2HD2 ASN 28 HD22 ASN 28 66.334 -7.540 3.220
226 H CYS 29 HN CYS 29 63.061 -7.999 3.503
227 HA CYS 29 HA CYS 29 63.824 -10.116 5.270
228 1HB CYS 29 HB2 CYS 29 62.439 -7.519 5.986
229 2HB CYS 29 HB1 CYS 29 63.418 -8.520 7.060
230 H GLN 30 HN GLN 30 60.691 -8.869 4.279
231 HA GLN 30 HA GLN 30 58.518 -9.665 4.696
232 1HB GLN 30 HB2 GLN 30 60.103 -12.197 5.138
233 2HB GLN 30 HB1 GLN 30 58.344 -12.149 5.208
234 1HG GLN 30 HG2 GLN 30 59.458 -12.775 2.964
235 2HG GLN 30 HG1 GLN 30 58.143 -11.611 2.928
236 1HE2 GLN 30 HE21 GLN 30 59.088 -9.217 3.290
237 2HE2 GLN 30 HE22 GLN 30 60.442 -8.851 2.349
238 H LYS 31 HN LYS 31 59.786 -8.343 6.862
239 HA LYS 31 HA LYS 31 58.656 -9.858 9.178
240 1HB LYS 31 HB2 LYS 31 60.850 -7.814 8.922
241 2HB LYS 31 HB1 LYS 31 59.954 -7.926 10.438
242 1HG LYS 31 HG2 LYS 31 60.481 -10.349 10.552
243 2HG LYS 31 HG1 LYS 31 61.423 -10.200 9.067
244 1HD LYS 31 HD2 LYS 31 63.133 -9.051 10.102
245 2HD LYS 31 HD1 LYS 31 62.061 -8.320 11.296
246 1HE LYS 31 HE2 LYS 31 61.877 -10.435 12.491
247 2HE LYS 31 HE1 LYS 31 62.835 -11.251 11.254
248 1HZ LYS 31 HZ1 LYS 31 63.760 -9.929 13.511
249 2HZ LYS 31 HZ2 LYS 31 64.214 -8.973 12.183
250 3HZ LYS 31 HZ3 LYS 31 64.682 -10.604 12.258
251 HA PRO 32 HA PRO 32 55.315 -6.952 9.370
252 1HB PRO 32 HB2 PRO 32 56.161 -6.301 12.170
253 2HB PRO 32 HB1 PRO 32 54.560 -6.771 11.560
254 1HG PRO 32 HG2 PRO 32 56.052 -8.498 12.886
255 2HG PRO 32 HG1 PRO 32 55.096 -9.014 11.496
256 1HD PRO 32 HD2 PRO 32 58.054 -8.581 11.691
257 2HD PRO 32 HD1 PRO 32 57.145 -9.773 10.732
258 H LEU 33 HN LEU 33 55.195 -4.734 8.849
259 HA LEU 33 HA LEU 33 57.785 -3.269 9.071
260 1HB LEU 33 HB2 LEU 33 56.515 -3.750 6.849
261 2HB LEU 33 HB1 LEU 33 55.395 -2.512 7.398
262 HG LEU 33 HG LEU 33 57.365 -0.941 7.627
263 1HD1 LEU 33 HD11 LEU 33 59.339 -2.116 7.686
264 2HD1 LEU 33 HD12 LEU 33 59.225 -2.014 5.925
265 3HD1 LEU 33 HD13 LEU 33 58.683 -3.465 6.762
266 1HD2 LEU 33 HD21 LEU 33 56.400 -2.154 5.069
267 2HD2 LEU 33 HD22 LEU 33 57.789 -1.084 4.975
268 3HD2 LEU 33 HD23 LEU 33 56.261 -0.486 5.629
269 H SER 34 HN SER 34 58.009 -1.728 10.459
270 HA SER 34 HA SER 34 56.054 -1.082 12.344
271 1HB SER 34 HB2 SER 34 58.770 -0.423 11.880
272 2HB SER 34 HB1 SER 34 57.908 1.108 11.995
273 HG SER 34 HG SER 34 57.924 -1.039 13.853
274 HA PRO 35 HA PRO 35 53.587 1.434 9.743
275 1HB PRO 35 HB2 PRO 35 52.274 2.822 11.755
276 2HB PRO 35 HB1 PRO 35 51.808 1.243 11.098
277 1HG PRO 35 HG2 PRO 35 53.188 1.884 13.616
278 2HG PRO 35 HG1 PRO 35 52.115 0.539 13.213
279 1HD PRO 35 HD2 PRO 35 54.838 0.315 13.424
280 2HD PRO 35 HD1 PRO 35 53.814 -0.781 12.467
281 H GLU 36 HN GLU 36 55.884 2.502 12.003
282 HA GLU 36 HA GLU 36 55.663 5.363 11.453
283 1HB GLU 36 HB2 GLU 36 58.006 3.691 12.434
284 2HB GLU 36 HB1 GLU 36 57.996 5.455 12.369
285 1HG GLU 36 HG2 GLU 36 56.046 3.748 13.946
286 2HG GLU 36 HG1 GLU 36 57.405 4.641 14.629
287 H GLU 37 HN GLU 37 57.423 2.635 10.169
288 HA GLU 37 HA GLU 37 58.939 4.076 8.190
289 1HB GLU 37 HB2 GLU 37 58.086 1.171 8.460
290 2HB GLU 37 HB1 GLU 37 59.274 1.755 7.287
291 1HG GLU 37 HG2 GLU 37 60.658 2.659 9.117
292 2HG GLU 37 HG1 GLU 37 59.477 2.100 10.298
293 H LYS 38 HN LYS 38 55.785 2.485 8.271
294 HA LYS 38 HA LYS 38 55.123 2.691 5.493
295 1HB LYS 38 HB2 LYS 38 53.313 2.922 7.929
296 2HB LYS 38 HB1 LYS 38 52.778 2.624 6.281
297 1HG LYS 38 HG2 LYS 38 54.066 0.507 6.269
298 2HG LYS 38 HG1 LYS 38 54.507 0.784 7.953
299 1HD LYS 38 HD2 LYS 38 51.997 0.957 8.446
300 2HD LYS 38 HD1 LYS 38 51.733 0.368 6.810
301 1HE LYS 38 HE2 LYS 38 53.506 -1.458 7.636
302 2HE LYS 38 HE1 LYS 38 52.769 -1.071 9.184
303 1HZ LYS 38 HZ1 LYS 38 50.588 -1.467 8.193
304 2HZ LYS 38 HZ2 LYS 38 51.568 -2.854 8.122
305 3HZ LYS 38 HZ3 LYS 38 51.324 -1.910 6.731
306 H GLN 39 HN GLN 39 54.867 4.726 8.323
307 HA GLN 39 HA GLN 39 53.386 6.832 7.214
308 1HB GLN 39 HB2 GLN 39 53.953 6.648 9.640
309 2HB GLN 39 HB1 GLN 39 55.606 7.136 9.254
310 1HG GLN 39 HG2 GLN 39 54.315 9.101 9.930
311 2HG GLN 39 HG1 GLN 39 54.715 9.212 8.210
312 1HE2 GLN 39 HE21 GLN 39 53.062 8.702 6.671
313 2HE2 GLN 39 HE22 GLN 39 51.423 8.707 7.075
314 H ARG 40 HN ARG 40 56.899 6.282 7.122
315 HA ARG 40 HA ARG 40 57.504 8.735 5.781
316 1HB ARG 40 HB2 ARG 40 59.216 7.156 6.729
317 2HB ARG 40 HB1 ARG 40 58.862 6.045 5.407
318 1HG ARG 40 HG2 ARG 40 59.497 7.807 3.779
319 2HG ARG 40 HG1 ARG 40 59.902 8.879 5.120
320 1HD ARG 40 HD2 ARG 40 61.549 7.175 5.923
321 2HD ARG 40 HD1 ARG 40 61.206 6.216 4.483
322 HE ARG 40 HE ARG 40 62.046 8.991 3.973
323 1HH1 ARG 40 HH21 ARG 40 62.848 5.656 4.316
324 2HH1 ARG 40 HH22 ARG 40 64.329 5.784 3.427
325 1HH2 ARG 40 HH11 ARG 40 63.976 9.179 2.813
326 2HH2 ARG 40 HH12 ARG 40 64.968 7.777 2.574
327 H HIS 41 HN HIS 41 56.495 5.528 4.658
328 HA HIS 41 HA HIS 41 56.663 6.109 1.854
329 1HB HIS 41 HB2 HIS 41 54.680 4.211 3.146
330 2HB HIS 41 HB1 HIS 41 55.328 4.142 1.514
331 HD1 HIS 41 HD1 HIS 41 55.809 1.712 3.278
332 HD2 HIS 41 HD2 HIS 41 58.430 4.944 3.151
333 HE1 HIS 41 HE1 HIS 41 58.040 0.865 4.115
334 H LEU 42 HN LEU 42 54.054 6.339 4.195
335 HA LEU 42 HA LEU 42 52.077 7.398 2.423
336 1HB LEU 42 HB2 LEU 42 52.380 7.724 5.409
337 2HB LEU 42 HB1 LEU 42 50.917 8.071 4.496
338 HG LEU 42 HG LEU 42 52.270 5.370 4.747
339 1HD1 LEU 42 HD11 LEU 42 49.531 5.448 5.584
340 2HD1 LEU 42 HD12 LEU 42 50.400 6.743 6.405
341 3HD1 LEU 42 HD13 LEU 42 50.959 5.078 6.553
342 1HD2 LEU 42 HD21 LEU 42 51.296 5.197 2.659
343 2HD2 LEU 42 HD22 LEU 42 50.093 6.441 3.005
344 3HD2 LEU 42 HD23 LEU 42 49.894 4.814 3.658
345 H ASP 43 HN ASP 43 54.614 8.973 4.380
346 HA ASP 43 HA ASP 43 53.512 11.566 4.215
347 1HB ASP 43 HB2 ASP 43 55.670 12.446 4.844
348 2HB ASP 43 HB1 ASP 43 55.385 10.967 5.753
349 H LYS 44 HN LYS 44 55.646 9.842 1.953
350 HA LYS 44 HA LYS 44 54.696 10.927 -0.388
351 1HB LYS 44 HB2 LYS 44 55.082 13.211 0.665
352 2HB LYS 44 HB1 LYS 44 56.799 12.875 0.589
353 1HG LYS 44 HG2 LYS 44 56.294 14.131 -1.358
354 2HG LYS 44 HG1 LYS 44 56.411 12.457 -1.912
355 1HD LYS 44 HD2 LYS 44 54.059 12.202 -2.013
356 2HD LYS 44 HD1 LYS 44 53.776 13.638 -1.029
357 1HE LYS 44 HE2 LYS 44 55.303 14.129 -3.512
358 2HE LYS 44 HE1 LYS 44 53.650 13.575 -3.773
359 1HZ LYS 44 HZ1 LYS 44 52.775 15.421 -2.841
360 2HZ LYS 44 HZ2 LYS 44 54.235 16.105 -3.375
361 3HZ LYS 44 HZ3 LYS 44 54.058 15.635 -1.752
362 H LYS 45 HN LYS 45 55.884 8.681 -0.348
363 HA LYS 45 HA LYS 45 58.800 8.896 -0.739
364 1HB LYS 45 HB2 LYS 45 57.720 6.836 0.211
365 2HB LYS 45 HB1 LYS 45 57.021 6.527 -1.376
366 1HG LYS 45 HG2 LYS 45 59.313 6.527 -2.346
367 2HG LYS 45 HG1 LYS 45 59.975 6.752 -0.726
368 1HD LYS 45 HD2 LYS 45 58.821 4.639 -0.023
369 2HD LYS 45 HD1 LYS 45 58.349 4.394 -1.704
370 1HE LYS 45 HE2 LYS 45 61.001 4.836 -2.029
371 2HE LYS 45 HE1 LYS 45 61.010 4.099 -0.428
372 1HZ LYS 45 HZ1 LYS 45 60.678 2.851 -2.915
373 2HZ LYS 45 HZ2 LYS 45 59.243 2.652 -2.028
374 3HZ LYS 45 HZ3 LYS 45 60.726 2.138 -1.377
375 H GLN 46 HN GLN 46 59.829 9.044 -2.755
376 HA GLN 46 HA GLN 46 58.392 10.067 -4.957
377 1HB GLN 46 HB2 GLN 46 60.912 10.080 -4.667
378 2HB GLN 46 HB1 GLN 46 60.910 8.386 -5.159
379 1HG GLN 46 HG2 GLN 46 59.776 9.048 -7.285
380 2HG GLN 46 HG1 GLN 46 59.922 10.737 -6.799
381 1HE2 GLN 46 HE21 GLN 46 61.406 8.522 -8.739
382 2HE2 GLN 46 HE22 GLN 46 63.003 9.093 -8.670
383 H ARG 47 HN ARG 47 59.255 6.704 -4.142
384 HA ARG 47 HA ARG 47 56.949 5.836 -5.744
385 1HB ARG 47 HB2 ARG 47 59.760 4.890 -6.353
386 2HB ARG 47 HB1 ARG 47 58.298 4.104 -6.953
387 1HG ARG 47 HG2 ARG 47 57.611 6.279 -7.984
388 2HG ARG 47 HG1 ARG 47 59.160 6.959 -7.490
389 1HD ARG 47 HD2 ARG 47 58.757 4.599 -9.349
390 2HD ARG 47 HD1 ARG 47 59.300 6.211 -9.814
391 HE ARG 47 HE ARG 47 61.161 5.466 -7.934
392 1HH1 ARG 47 HH21 ARG 47 59.793 3.994 -10.736
393 2HH1 ARG 47 HH22 ARG 47 61.221 3.092 -11.124
394 1HH2 ARG 47 HH11 ARG 47 63.036 4.299 -8.427
395 2HH2 ARG 47 HH12 ARG 47 63.056 3.266 -9.818
396 H PHE 48 HN PHE 48 55.891 4.368 -4.559
397 HA PHE 48 HA PHE 48 57.443 2.654 -2.659
398 1HB PHE 48 HB2 PHE 48 55.650 4.359 -1.776
399 2HB PHE 48 HB1 PHE 48 54.480 3.250 -2.467
400 HD1 PHE 48 HD1 PHE 48 53.420 2.110 -0.729
401 HD2 PHE 48 HD2 PHE 48 57.683 2.646 -0.567
402 HE1 PHE 48 HE1 PHE 48 53.525 0.706 1.309
403 HE2 PHE 48 HE2 PHE 48 57.777 1.236 1.461
404 HZ PHE 48 HZ PHE 48 55.708 0.259 2.398
405 H HIS 49 HN HIS 49 57.216 0.361 -3.146
406 HA HIS 49 HA HIS 49 55.538 -0.111 -5.578
407 1HB HIS 49 HB2 HIS 49 58.116 -1.398 -4.687
408 2HB HIS 49 HB1 HIS 49 57.185 -1.933 -6.084
409 HD1 HIS 49 HD1 HIS 49 59.331 0.876 -4.840
410 HD2 HIS 49 HD2 HIS 49 57.229 -0.128 -8.297
411 HE1 HIS 49 HE1 HIS 49 60.082 2.501 -6.632
412 H ASN 50 HN ASN 50 54.156 -1.760 -5.743
413 HA ASN 50 HA ASN 50 53.748 -3.489 -3.341
414 1HB ASN 50 HB2 ASN 50 51.943 -1.876 -3.790
415 2HB ASN 50 HB1 ASN 50 51.734 -2.569 -5.376
416 1HD2 ASN 50 HD21 ASN 50 51.776 -3.603 -1.934
417 2HD2 ASN 50 HD22 ASN 50 50.574 -4.785 -2.125
418 H ILE 51 HN ILE 51 53.863 -5.618 -3.599
419 HA ILE 51 HA ILE 51 53.693 -6.824 -6.340
420 HB ILE 51 HB ILE 51 54.997 -7.984 -3.845
421 1HG1 ILE 51 HG12 ILE 51 56.340 -7.011 -6.374
422 2HG1 ILE 51 HG11 ILE 51 56.268 -6.064 -4.884
423 1HG2 ILE 51 HG21 ILE 51 55.164 -8.970 -6.698
424 2HG2 ILE 51 HG22 ILE 51 53.953 -9.558 -5.557
425 3HG2 ILE 51 HG23 ILE 51 55.668 -9.808 -5.230
426 1HD1 ILE 51 HD11 ILE 51 58.380 -7.322 -5.059
427 2HD1 ILE 51 HD12 ILE 51 57.469 -8.824 -5.198
428 3HD1 ILE 51 HD13 ILE 51 57.416 -7.897 -3.699
429 H ARG 52 HN ARG 52 52.086 -8.518 -6.540
430 HA ARG 52 HA ARG 52 49.870 -8.372 -4.811
431 1HB ARG 52 HB2 ARG 52 50.809 -10.748 -6.450
432 2HB ARG 52 HB1 ARG 52 49.210 -10.606 -5.720
433 1HG ARG 52 HG2 ARG 52 48.833 -8.518 -7.023
434 2HG ARG 52 HG1 ARG 52 50.400 -8.749 -7.803
435 1HD ARG 52 HD2 ARG 52 48.719 -9.661 -9.278
436 2HD ARG 52 HD1 ARG 52 49.588 -11.018 -8.563
437 HE ARG 52 HE ARG 52 47.128 -10.194 -7.160
438 1HH1 ARG 52 HH21 ARG 52 48.729 -12.247 -9.421
439 2HH1 ARG 52 HH22 ARG 52 47.533 -13.496 -9.335
440 1HH2 ARG 52 HH11 ARG 52 45.557 -11.814 -7.036
441 2HH2 ARG 52 HH12 ARG 52 45.737 -13.252 -7.985
442 H GLY 53 HN GLY 53 49.301 -9.420 -2.930
443 1HA GLY 53 HA2 GLY 53 49.501 -10.816 -1.048
444 2HA GLY 53 HA1 GLY 53 50.816 -11.658 -1.862
445 H ARG 54 HN ARG 54 52.370 -9.138 -2.296
446 HA ARG 54 HA ARG 54 53.075 -8.532 0.547
447 1HB ARG 54 HB2 ARG 54 54.988 -9.208 -1.701
448 2HB ARG 54 HB1 ARG 54 55.478 -8.606 -0.117
449 1HG ARG 54 HG2 ARG 54 54.316 -10.558 0.932
450 2HG ARG 54 HG1 ARG 54 53.988 -11.184 -0.685
451 1HD ARG 54 HD2 ARG 54 56.725 -10.654 0.508
452 2HD ARG 54 HD1 ARG 54 56.012 -12.237 0.204
453 HE ARG 54 HE ARG 54 56.972 -10.349 -1.885
454 1HH1 ARG 54 HH21 ARG 54 55.623 -13.380 -0.910
455 2HH1 ARG 54 HH22 ARG 54 55.947 -14.153 -2.424
456 1HH2 ARG 54 HH11 ARG 54 57.391 -11.351 -3.860
457 2HH2 ARG 54 HH12 ARG 54 56.944 -13.008 -4.090
458 H TRP 55 HN TRP 55 54.009 -6.461 0.927
459 HA TRP 55 HA TRP 55 53.706 -4.541 -1.351
460 1HB TRP 55 HB2 TRP 55 52.696 -4.433 1.298
461 2HB TRP 55 HB1 TRP 55 53.978 -3.231 1.215
462 HD1 TRP 55 HD1 TRP 55 50.433 -3.818 0.190
463 HE1 TRP 55 HE1 TRP 55 49.632 -1.912 -1.351
464 HE3 TRP 55 HE3 TRP 55 54.879 -1.498 -0.700
465 HZ2 TRP 55 HZ2 TRP 55 50.757 0.311 -2.797
466 HZ3 TRP 55 HZ3 TRP 55 54.978 0.522 -2.121
467 HH2 TRP 55 HH2 TRP 55 52.937 1.408 -3.167
468 H THR 56 HN THR 56 55.555 -3.226 -1.845
469 HA THR 56 HA THR 56 57.983 -3.929 -0.239
470 HB THR 56 HB THR 56 59.241 -4.141 -2.229
471 HG1 THR 56 HG1 THR 56 57.202 -2.561 -3.216
472 1HG2 THR 56 HG21 THR 56 57.968 -5.776 -3.549
473 2HG2 THR 56 HG22 THR 56 56.469 -5.208 -2.820
474 3HG2 THR 56 HG23 THR 56 57.677 -6.018 -1.826
475 H GLY 57 HN GLY 57 59.759 -2.364 -0.404
476 1HA GLY 57 HA2 GLY 57 59.994 0.103 -1.437
477 2HA GLY 57 HA1 GLY 57 58.745 0.400 -0.240
478 H ARG 58 HN ARG 58 59.392 -0.652 2.010
479 HA ARG 58 HA ARG 58 61.640 0.721 2.994
480 1HB ARG 58 HB2 ARG 58 59.969 -0.078 4.526
481 2HB ARG 58 HB1 ARG 58 60.351 -1.756 4.099
482 1HG ARG 58 HG2 ARG 58 62.581 -1.563 4.919
483 2HG ARG 58 HG1 ARG 58 62.410 0.179 5.166
484 1HD ARG 58 HD2 ARG 58 60.499 -0.487 6.782
485 2HD ARG 58 HD1 ARG 58 61.203 -2.108 6.692
486 HE ARG 58 HE ARG 58 62.864 -1.341 8.152
487 1HH1 ARG 58 HH21 ARG 58 61.573 1.213 6.213
488 2HH1 ARG 58 HH22 ARG 58 62.555 2.442 6.944
489 1HH2 ARG 58 HH11 ARG 58 64.158 0.256 9.113
490 2HH2 ARG 58 HH12 ARG 58 64.018 1.899 8.584
491 H CYS 59 HN CYS 59 61.463 -2.623 1.935
492 HA CYS 59 HA CYS 59 63.927 -3.374 2.994
493 1HB CYS 59 HB2 CYS 59 62.058 -4.620 1.588
494 2HB CYS 59 HB1 CYS 59 63.261 -4.381 0.334
495 H MET 60 HN MET 60 63.247 -1.323 0.265
496 HA MET 60 HA MET 60 65.744 -1.572 -1.096
497 1HB MET 60 HB2 MET 60 63.789 -0.175 -1.890
498 2HB MET 60 HB1 MET 60 64.212 1.013 -0.656
499 1HG MET 60 HG2 MET 60 66.513 1.139 -1.658
500 2HG MET 60 HG1 MET 60 65.952 0.095 -2.963
501 1HE MET 60 HE1 MET 60 62.743 1.497 -3.527
502 2HE MET 60 HE2 MET 60 63.954 0.352 -4.099
503 3HE MET 60 HE3 MET 60 63.629 1.816 -5.024
504 H SER 61 HN SER 61 64.747 0.243 1.766
505 HA SER 61 HA SER 61 67.212 1.623 2.231
506 1HB SER 61 HB2 SER 61 65.246 0.587 4.298
507 2HB SER 61 HB1 SER 61 66.426 1.875 4.528
508 HG SER 61 HG SER 61 64.064 1.838 2.998
509 H CYS 62 HN CYS 62 66.068 -1.627 2.991
510 HA CYS 62 HA CYS 62 68.156 -2.403 4.761
511 1HB CYS 62 HB2 CYS 62 66.638 -4.148 2.770
512 2HB CYS 62 HB1 CYS 62 67.587 -4.716 4.135
513 H SER 63 HN SER 63 68.066 -2.017 1.295
514 HA SER 63 HA SER 63 70.270 -3.624 0.534
515 1HB SER 63 HB2 SER 63 69.521 -0.916 -0.602
516 2HB SER 63 HB1 SER 63 70.465 -2.163 -1.410
517 HG SER 63 HG SER 63 68.594 -2.849 -2.071
518 H ARG 64 HN ARG 64 70.178 -0.411 2.008
519 HA ARG 64 HA ARG 64 72.858 0.375 1.605
520 1HB ARG 64 HB2 ARG 64 71.089 1.793 2.660
521 2HB ARG 64 HB1 ARG 64 71.214 0.807 4.118
522 1HG ARG 64 HG2 ARG 64 73.640 1.387 4.253
523 2HG ARG 64 HG1 ARG 64 73.427 2.461 2.870
524 1HD ARG 64 HD2 ARG 64 71.956 2.688 5.512
525 2HD ARG 64 HD1 ARG 64 73.293 3.714 4.995
526 HE ARG 64 HE ARG 64 71.414 3.944 2.955
527 1HH1 ARG 64 HH21 ARG 64 71.510 4.354 6.376
528 2HH1 ARG 64 HH22 ARG 64 70.305 5.598 6.395
529 1HH2 ARG 64 HH11 ARG 64 69.843 5.569 2.959
530 2HH2 ARG 64 HH12 ARG 64 69.362 6.287 4.460
531 H SER 65 HN SER 65 71.486 -1.824 4.030
532 HA SER 65 HA SER 65 74.289 -2.585 4.751
533 1HB SER 65 HB2 SER 65 73.542 -2.991 7.037
534 2HB SER 65 HB1 SER 65 73.133 -1.339 6.583
535 HG SER 65 HG SER 65 71.261 -2.068 7.354
536 H SER 66 HN SER 66 74.534 -4.866 5.354
537 HA SER 66 HA SER 66 73.145 -6.649 3.615
538 1HB SER 66 HB2 SER 66 74.639 -7.323 6.167
539 2HB SER 66 HB1 SER 66 74.256 -8.443 4.864
540 HG SER 66 HG SER 66 75.409 -6.534 3.636
541 H ARG 67 HN ARG 67 71.591 -8.320 4.167
542 HA ARG 67 HA ARG 67 69.416 -8.745 5.026
543 1HB ARG 67 HB2 ARG 67 70.989 -10.087 6.424
544 2HB ARG 67 HB1 ARG 67 71.074 -8.746 7.568
545 1HG ARG 67 HG2 ARG 67 68.601 -8.883 7.859
546 2HG ARG 67 HG1 ARG 67 68.581 -10.294 6.801
547 1HD ARG 67 HD2 ARG 67 70.128 -10.077 9.401
548 2HD ARG 67 HD1 ARG 67 68.616 -10.958 9.186
549 HE ARG 67 HE ARG 67 70.370 -11.986 7.255
550 1HH1 ARG 67 HH21 ARG 67 70.220 -11.603 10.677
551 2HH1 ARG 67 HH22 ARG 67 71.144 -13.029 11.011
552 1HH2 ARG 67 HH11 ARG 67 71.577 -13.852 7.671
553 2HH2 ARG 67 HH12 ARG 67 71.911 -14.304 9.309
Start of MODEL 4
1 H ALA 1 HT1 ALA 1 55.365 -6.030 -8.178
2 HA ALA 1 HA ALA 1 55.484 -4.225 -6.625
3 1HB ALA 1 HB1 ALA 1 57.560 -3.527 -6.053
4 2HB ALA 1 HB2 ALA 1 57.628 -2.686 -7.603
5 3HB ALA 1 HB3 ALA 1 58.269 -4.321 -7.458
6 H MET 2 HN MET 2 56.638 -4.229 -9.951
7 HA MET 2 HA MET 2 55.575 -1.744 -10.789
8 1HB MET 2 HB2 MET 2 56.010 -4.304 -12.348
9 2HB MET 2 HB1 MET 2 55.655 -2.738 -13.079
10 1HG MET 2 HG2 MET 2 57.674 -1.807 -11.910
11 2HG MET 2 HG1 MET 2 58.061 -3.444 -11.378
12 1HE MET 2 HE1 MET 2 56.749 -2.146 -15.156
13 2HE MET 2 HE2 MET 2 58.346 -1.439 -15.381
14 3HE MET 2 HE3 MET 2 57.394 -1.012 -13.961
15 H SER 3 HN SER 3 53.973 -4.892 -10.411
16 HA SER 3 HA SER 3 51.717 -4.438 -12.017
17 1HB SER 3 HB2 SER 3 51.740 -5.738 -9.277
18 2HB SER 3 HB1 SER 3 50.513 -5.966 -10.521
19 HG SER 3 HG SER 3 51.888 -7.145 -11.677
20 H TYR 4 HN TYR 4 52.221 -3.326 -8.615
21 HA TYR 4 HA TYR 4 50.368 -1.142 -9.266
22 1HB TYR 4 HB2 TYR 4 48.899 -2.995 -8.396
23 2HB TYR 4 HB1 TYR 4 49.752 -2.876 -6.859
24 HD1 TYR 4 HD1 TYR 4 49.329 -1.022 -5.341
25 HD2 TYR 4 HD2 TYR 4 47.697 -1.040 -9.308
26 HE1 TYR 4 HE1 TYR 4 47.941 0.947 -4.780
27 HE2 TYR 4 HE2 TYR 4 46.301 0.921 -8.746
28 HH TYR 4 HH TYR 4 45.637 2.302 -7.138
29 H SER 5 HN SER 5 50.743 0.711 -7.896
30 HA SER 5 HA SER 5 52.593 0.412 -5.626
31 1HB SER 5 HB2 SER 5 54.072 0.379 -7.614
32 2HB SER 5 HB1 SER 5 53.399 1.928 -8.085
33 HG SER 5 HG SER 5 54.148 2.092 -5.558
34 H LEU 6 HN LEU 6 52.739 2.342 -4.340
35 HA LEU 6 HA LEU 6 50.763 4.455 -5.122
36 1HB LEU 6 HB2 LEU 6 51.869 3.800 -2.372
37 2HB LEU 6 HB1 LEU 6 50.606 4.980 -2.737
38 HG LEU 6 HG LEU 6 50.438 2.014 -3.281
39 1HD1 LEU 6 HD11 LEU 6 49.204 1.790 -1.341
40 2HD1 LEU 6 HD12 LEU 6 48.609 3.448 -1.412
41 3HD1 LEU 6 HD13 LEU 6 50.247 3.121 -0.845
42 1HD2 LEU 6 HD21 LEU 6 47.937 2.821 -3.547
43 2HD2 LEU 6 HD22 LEU 6 49.064 2.945 -4.897
44 3HD2 LEU 6 HD23 LEU 6 48.704 4.366 -3.916
45 H TYR 7 HN TYR 7 51.611 6.428 -5.574
46 HA TYR 7 HA TYR 7 54.435 6.876 -5.619
47 1HB TYR 7 HB2 TYR 7 52.821 8.040 -7.149
48 2HB TYR 7 HB1 TYR 7 52.266 8.985 -5.761
49 HD1 TYR 7 HD1 TYR 7 55.109 8.288 -8.005
50 HD2 TYR 7 HD2 TYR 7 53.703 10.650 -4.712
51 HE1 TYR 7 HE1 TYR 7 57.079 9.775 -8.232
52 HE2 TYR 7 HE2 TYR 7 55.666 12.145 -4.946
53 HH TYR 7 HH TYR 7 57.858 12.170 -5.856
54 H GLY 8 HN GLY 8 51.853 7.637 -3.375
55 1HA GLY 8 HA2 GLY 8 52.376 7.931 -0.993
56 2HA GLY 8 HA1 GLY 8 53.911 8.660 -1.462
57 H THR 9 HN THR 9 51.477 9.522 -3.551
58 HA THR 9 HA THR 9 51.422 12.285 -2.588
59 HB THR 9 HB THR 9 49.658 11.339 -4.810
60 HG1 THR 9 HG1 THR 9 52.035 11.788 -5.835
61 1HG2 THR 9 HG21 THR 9 50.827 13.819 -3.917
62 2HG2 THR 9 HG22 THR 9 49.629 13.551 -5.179
63 3HG2 THR 9 HG23 THR 9 51.346 13.481 -5.568
64 H THR 10 HN THR 10 48.965 13.207 -3.030
65 HA THR 10 HA THR 10 47.447 12.603 -0.770
66 HB THR 10 HB THR 10 46.375 13.506 -3.459
67 HG1 THR 10 HG1 THR 10 47.041 15.245 -1.384
68 1HG2 THR 10 HG21 THR 10 44.899 12.821 -1.318
69 2HG2 THR 10 HG22 THR 10 44.451 14.140 -2.399
70 3HG2 THR 10 HG23 THR 10 45.276 14.487 -0.881
71 H LEU 11 HN LEU 11 47.360 11.072 -3.947
72 HA LEU 11 HA LEU 11 44.997 9.560 -3.663
73 1HB LEU 11 HB2 LEU 11 47.552 8.813 -5.062
74 2HB LEU 11 HB1 LEU 11 45.972 8.087 -5.357
75 HG LEU 11 HG LEU 11 46.757 10.978 -5.812
76 1HD1 LEU 11 HD11 LEU 11 45.905 10.269 -8.169
77 2HD1 LEU 11 HD12 LEU 11 46.152 8.622 -7.591
78 3HD1 LEU 11 HD13 LEU 11 47.511 9.744 -7.667
79 1HD2 LEU 11 HD21 LEU 11 44.538 11.181 -5.122
80 2HD2 LEU 11 HD22 LEU 11 44.103 9.577 -5.711
81 3HD2 LEU 11 HD23 LEU 11 44.329 10.903 -6.851
82 H GLU 12 HN GLU 12 48.245 8.862 -2.403
83 HA GLU 12 HA GLU 12 47.886 6.137 -1.703
84 1HB GLU 12 HB2 GLU 12 50.041 7.421 -1.441
85 2HB GLU 12 HB1 GLU 12 49.345 8.189 -0.011
86 1HG GLU 12 HG2 GLU 12 48.946 5.918 0.959
87 2HG GLU 12 HG1 GLU 12 49.781 5.218 -0.426
88 H GLN 13 HN GLN 13 46.586 9.017 -0.345
89 HA GLN 13 HA GLN 13 45.979 8.350 2.285
90 1HB GLN 13 HB2 GLN 13 44.334 9.843 0.228
91 2HB GLN 13 HB1 GLN 13 44.071 9.923 1.973
92 1HG GLN 13 HG2 GLN 13 46.279 10.828 2.334
93 2HG GLN 13 HG1 GLN 13 46.709 10.591 0.643
94 1HE2 GLN 13 HE21 GLN 13 47.082 13.101 1.107
95 2HE2 GLN 13 HE22 GLN 13 45.779 14.079 0.652
96 H GLN 14 HN GLN 14 44.212 7.317 -0.673
97 HA GLN 14 HA GLN 14 41.965 6.210 0.711
98 1HB GLN 14 HB2 GLN 14 43.315 5.282 -1.848
99 2HB GLN 14 HB1 GLN 14 41.732 4.735 -1.294
100 1HG GLN 14 HG2 GLN 14 40.892 7.039 -1.365
101 2HG GLN 14 HG1 GLN 14 42.477 7.615 -1.879
102 1HE2 GLN 14 HE21 GLN 14 40.197 8.035 -3.535
103 2HE2 GLN 14 HE22 GLN 14 40.354 7.083 -4.932
104 H TYR 15 HN TYR 15 45.156 4.927 -0.079
105 HA TYR 15 HA TYR 15 44.738 2.312 1.064
106 1HB TYR 15 HB2 TYR 15 47.226 3.891 0.374
107 2HB TYR 15 HB1 TYR 15 47.276 2.245 1.009
108 HD1 TYR 15 HD1 TYR 15 45.417 4.189 -1.628
109 HD2 TYR 15 HD2 TYR 15 47.373 0.530 -0.536
110 HE1 TYR 15 HE1 TYR 15 44.968 3.268 -3.889
111 HE2 TYR 15 HE2 TYR 15 46.923 -0.398 -2.781
112 HH TYR 15 HH TYR 15 44.703 0.839 -4.853
113 H ASN 16 HN ASN 16 45.684 5.440 2.330
114 HA ASN 16 HA ASN 16 46.985 4.672 4.701
115 1HB ASN 16 HB2 ASN 16 46.680 7.011 3.839
116 2HB ASN 16 HB1 ASN 16 45.046 6.977 4.504
117 1HD2 ASN 16 HD21 ASN 16 46.551 8.893 5.661
118 2HD2 ASN 16 HD22 ASN 16 47.134 8.422 7.184
119 H LYS 17 HN LYS 17 43.418 4.907 4.214
120 HA LYS 17 HA LYS 17 42.822 4.443 6.970
121 1HB LYS 17 HB2 LYS 17 40.769 3.181 5.446
122 2HB LYS 17 HB1 LYS 17 40.722 4.727 6.275
123 1HG LYS 17 HG2 LYS 17 41.265 5.938 4.361
124 2HG LYS 17 HG1 LYS 17 42.024 4.562 3.571
125 1HD LYS 17 HD2 LYS 17 39.899 3.516 3.154
126 2HD LYS 17 HD1 LYS 17 39.067 4.681 4.177
127 1HE LYS 17 HE2 LYS 17 40.070 6.450 2.523
128 2HE LYS 17 HE1 LYS 17 40.239 5.068 1.440
129 1HZ LYS 17 HZ1 LYS 17 37.683 5.481 2.820
130 2HZ LYS 17 HZ2 LYS 17 37.994 4.770 1.308
131 3HZ LYS 17 HZ3 LYS 17 38.050 6.459 1.484
132 HA PRO 18 HA PRO 18 42.697 -0.252 6.009
133 1HB PRO 18 HB2 PRO 18 43.366 -1.132 3.535
134 2HB PRO 18 HB1 PRO 18 41.727 -0.571 3.923
135 1HG PRO 18 HG2 PRO 18 43.938 0.860 2.531
136 2HG PRO 18 HG1 PRO 18 42.206 0.818 2.155
137 1HD PRO 18 HD2 PRO 18 43.398 2.888 3.494
138 2HD PRO 18 HD1 PRO 18 41.697 2.442 3.693
139 H LEU 19 HN LEU 19 45.272 1.830 5.316
140 HA LEU 19 HA LEU 19 47.375 0.218 4.525
141 1HB LEU 19 HB2 LEU 19 47.573 2.636 5.080
142 2HB LEU 19 HB1 LEU 19 47.529 2.224 6.793
143 HG LEU 19 HG LEU 19 49.531 0.721 6.371
144 1HD1 LEU 19 HD11 LEU 19 49.517 0.360 4.036
145 2HD1 LEU 19 HD12 LEU 19 50.826 1.522 4.258
146 3HD1 LEU 19 HD13 LEU 19 49.250 2.068 3.685
147 1HD2 LEU 19 HD21 LEU 19 50.865 3.077 5.685
148 2HD2 LEU 19 HD22 LEU 19 50.460 2.554 7.321
149 3HD2 LEU 19 HD23 LEU 19 49.376 3.634 6.448
150 H SER 20 HN SER 20 46.044 0.412 7.882
151 HA SER 20 HA SER 20 47.894 -1.596 8.856
152 1HB SER 20 HB2 SER 20 46.383 -1.826 10.744
153 2HB SER 20 HB1 SER 20 46.449 -0.114 10.332
154 HG SER 20 HG SER 20 44.300 -0.851 10.612
155 H ASP 21 HN ASP 21 44.770 -1.574 7.261
156 HA ASP 21 HA ASP 21 44.238 -4.404 7.334
157 1HB ASP 21 HB2 ASP 21 43.341 -2.263 5.399
158 2HB ASP 21 HB1 ASP 21 42.724 -3.901 5.413
159 H LEU 22 HN LEU 22 46.024 -2.285 5.173
160 HA LEU 22 HA LEU 22 46.448 -4.305 3.132
161 1HB LEU 22 HB2 LEU 22 48.054 -1.781 3.659
162 2HB LEU 22 HB1 LEU 22 48.002 -2.699 2.157
163 HG LEU 22 HG LEU 22 45.693 -1.194 3.412
164 1HD1 LEU 22 HD11 LEU 22 45.971 -0.173 0.954
165 2HD1 LEU 22 HD12 LEU 22 47.647 -0.639 1.257
166 3HD1 LEU 22 HD13 LEU 22 46.831 0.478 2.350
167 1HD2 LEU 22 HD21 LEU 22 44.613 -2.971 2.358
168 2HD2 LEU 22 HD22 LEU 22 45.868 -3.129 1.128
169 3HD2 LEU 22 HD23 LEU 22 44.716 -1.793 1.048
170 H LEU 23 HN LEU 23 48.368 -5.519 2.838
171 HA LEU 23 HA LEU 23 49.815 -5.943 5.354
172 1HB LEU 23 HB2 LEU 23 50.866 -7.895 4.042
173 2HB LEU 23 HB1 LEU 23 49.171 -8.016 4.473
174 HG LEU 23 HG LEU 23 49.486 -8.787 2.201
175 1HD1 LEU 23 HD11 LEU 23 47.647 -7.815 1.337
176 2HD1 LEU 23 HD12 LEU 23 48.312 -6.189 1.468
177 3HD1 LEU 23 HD13 LEU 23 47.577 -6.968 2.879
178 1HD2 LEU 23 HD21 LEU 23 50.683 -7.744 0.562
179 2HD2 LEU 23 HD22 LEU 23 51.553 -7.132 1.966
180 3HD2 LEU 23 HD23 LEU 23 50.329 -6.133 1.172
181 H ILE 24 HN ILE 24 51.742 -5.114 5.727
182 HA ILE 24 HA ILE 24 53.371 -4.149 3.388
183 HB ILE 24 HB ILE 24 53.427 -3.095 6.231
184 1HG1 ILE 24 HG12 ILE 24 51.264 -2.531 5.347
185 2HG1 ILE 24 HG11 ILE 24 52.265 -1.089 5.175
186 1HG2 ILE 24 HG21 ILE 24 55.487 -2.678 5.077
187 2HG2 ILE 24 HG22 ILE 24 54.573 -1.169 5.071
188 3HG2 ILE 24 HG23 ILE 24 54.635 -2.169 3.619
189 1HD1 ILE 24 HD11 ILE 24 52.807 -2.128 2.805
190 2HD1 ILE 24 HD12 ILE 24 51.322 -1.214 3.059
191 3HD1 ILE 24 HD13 ILE 24 51.282 -2.976 3.066
192 H ARG 25 HN ARG 25 55.405 -5.140 3.188
193 HA ARG 25 HA ARG 25 56.727 -6.208 5.615
194 1HB ARG 25 HB2 ARG 25 55.080 -7.952 4.736
195 2HB ARG 25 HB1 ARG 25 56.107 -8.037 3.298
196 1HG ARG 25 HG2 ARG 25 58.023 -8.611 4.693
197 2HG ARG 25 HG1 ARG 25 56.997 -8.600 6.131
198 1HD ARG 25 HD2 ARG 25 56.623 -10.381 3.700
199 2HD ARG 25 HD1 ARG 25 57.250 -10.899 5.262
200 HE ARG 25 HE ARG 25 54.830 -9.827 5.947
201 1HH1 ARG 25 HH21 ARG 25 55.900 -12.033 3.522
202 2HH1 ARG 25 HH22 ARG 25 54.406 -12.910 3.471
203 1HH2 ARG 25 HH11 ARG 25 52.873 -10.961 5.897
204 2HH2 ARG 25 HH12 ARG 25 52.693 -12.303 4.817
205 H CYS 26 HN CYS 26 59.003 -6.895 5.160
206 HA CYS 26 HA CYS 26 60.232 -5.423 2.944
207 1HB CYS 26 HB2 CYS 26 61.162 -6.683 5.369
208 2HB CYS 26 HB1 CYS 26 62.026 -7.380 4.020
209 H ILE 27 HN ILE 27 60.891 -6.413 1.022
210 HA ILE 27 HA ILE 27 59.563 -8.888 0.351
211 HB ILE 27 HB ILE 27 60.282 -8.444 -1.808
212 1HG1 ILE 27 HG12 ILE 27 62.625 -6.942 -0.644
213 2HG1 ILE 27 HG11 ILE 27 62.711 -8.545 -1.345
214 1HG2 ILE 27 HG21 ILE 27 59.532 -6.309 -2.077
215 2HG2 ILE 27 HG22 ILE 27 60.745 -5.656 -0.975
216 3HG2 ILE 27 HG23 ILE 27 59.277 -6.392 -0.335
217 1HD1 ILE 27 HD11 ILE 27 61.484 -7.185 -3.355
218 2HD1 ILE 27 HD12 ILE 27 63.228 -7.432 -3.252
219 3HD1 ILE 27 HD13 ILE 27 62.516 -5.923 -2.681
220 H ASN 28 HN ASN 28 62.389 -8.187 2.008
221 HA ASN 28 HA ASN 28 63.391 -10.964 1.553
222 1HB ASN 28 HB2 ASN 28 65.435 -10.301 0.783
223 2HB ASN 28 HB1 ASN 28 64.628 -8.786 0.409
224 1HD2 ASN 28 HD21 ASN 28 65.898 -7.076 1.117
225 2HD2 ASN 28 HD22 ASN 28 66.772 -7.045 2.572
226 H CYS 29 HN CYS 29 63.509 -8.042 3.569
227 HA CYS 29 HA CYS 29 64.403 -9.685 5.894
228 1HB CYS 29 HB2 CYS 29 64.011 -6.745 6.124
229 2HB CYS 29 HB1 CYS 29 65.326 -7.760 6.738
230 H GLN 30 HN GLN 30 62.123 -10.396 5.221
231 HA GLN 30 HA GLN 30 59.713 -9.440 5.517
232 1HB GLN 30 HB2 GLN 30 60.568 -11.890 7.040
233 2HB GLN 30 HB1 GLN 30 58.981 -11.573 6.336
234 1HG GLN 30 HG2 GLN 30 61.595 -11.943 4.854
235 2HG GLN 30 HG1 GLN 30 60.180 -12.981 4.796
236 1HE2 GLN 30 HE21 GLN 30 61.715 -10.808 2.925
237 2HE2 GLN 30 HE22 GLN 30 60.400 -10.093 2.129
238 H LYS 31 HN LYS 31 61.919 -8.981 8.109
239 HA LYS 31 HA LYS 31 60.160 -9.150 10.317
240 1HB LYS 31 HB2 LYS 31 61.476 -6.944 11.046
241 2HB LYS 31 HB1 LYS 31 62.270 -8.517 11.042
242 1HG LYS 31 HG2 LYS 31 63.161 -8.071 8.791
243 2HG LYS 31 HG1 LYS 31 62.357 -6.500 8.780
244 1HD LYS 31 HD2 LYS 31 63.657 -5.844 10.791
245 2HD LYS 31 HD1 LYS 31 64.495 -7.395 10.736
246 1HE LYS 31 HE2 LYS 31 64.519 -5.948 8.175
247 2HE LYS 31 HE1 LYS 31 65.357 -5.106 9.477
248 1HZ LYS 31 HZ1 LYS 31 66.526 -7.238 9.937
249 2HZ LYS 31 HZ2 LYS 31 66.906 -6.543 8.434
250 3HZ LYS 31 HZ3 LYS 31 65.847 -7.867 8.515
251 HA PRO 32 HA PRO 32 56.854 -6.542 8.778
252 1HB PRO 32 HB2 PRO 32 56.404 -6.049 11.686
253 2HB PRO 32 HB1 PRO 32 55.255 -6.563 10.435
254 1HG PRO 32 HG2 PRO 32 56.235 -8.269 12.234
255 2HG PRO 32 HG1 PRO 32 55.877 -8.757 10.573
256 1HD PRO 32 HD2 PRO 32 58.520 -8.335 11.872
257 2HD PRO 32 HD1 PRO 32 58.073 -9.384 10.507
258 H LEU 33 HN LEU 33 56.399 -4.328 8.543
259 HA LEU 33 HA LEU 33 58.556 -2.497 9.335
260 1HB LEU 33 HB2 LEU 33 56.056 -2.178 7.674
261 2HB LEU 33 HB1 LEU 33 57.085 -0.812 8.092
262 HG LEU 33 HG LEU 33 58.989 -1.974 7.040
263 1HD1 LEU 33 HD11 LEU 33 58.280 -4.295 7.234
264 2HD1 LEU 33 HD12 LEU 33 58.467 -3.913 5.521
265 3HD1 LEU 33 HD13 LEU 33 56.857 -3.972 6.245
266 1HD2 LEU 33 HD21 LEU 33 58.343 -0.646 5.346
267 2HD2 LEU 33 HD22 LEU 33 56.641 -0.929 5.698
268 3HD2 LEU 33 HD23 LEU 33 57.527 -2.055 4.663
269 H SER 34 HN SER 34 58.505 -1.120 10.948
270 HA SER 34 HA SER 34 56.324 -1.108 12.808
271 1HB SER 34 HB2 SER 34 58.216 -0.397 13.956
272 2HB SER 34 HB1 SER 34 58.950 0.285 12.508
273 HG SER 34 HG SER 34 58.231 2.132 13.178
274 HA PRO 35 HA PRO 35 53.892 1.359 10.199
275 1HB PRO 35 HB2 PRO 35 52.682 2.911 12.233
276 2HB PRO 35 HB1 PRO 35 52.071 1.437 11.470
277 1HG PRO 35 HG2 PRO 35 53.296 1.776 14.089
278 2HG PRO 35 HG1 PRO 35 52.286 0.471 13.466
279 1HD PRO 35 HD2 PRO 35 55.007 0.281 13.910
280 2HD PRO 35 HD1 PRO 35 54.061 -0.791 12.853
281 H GLU 36 HN GLU 36 56.258 2.593 12.320
282 HA GLU 36 HA GLU 36 56.026 5.391 11.720
283 1HB GLU 36 HB2 GLU 36 58.476 3.711 12.353
284 2HB GLU 36 HB1 GLU 36 58.438 5.475 12.349
285 1HG GLU 36 HG2 GLU 36 56.662 5.416 14.077
286 2HG GLU 36 HG1 GLU 36 56.782 3.658 14.122
287 H GLU 37 HN GLU 37 57.704 2.665 10.085
288 HA GLU 37 HA GLU 37 58.820 4.379 8.024
289 1HB GLU 37 HB2 GLU 37 58.301 1.391 8.089
290 2HB GLU 37 HB1 GLU 37 59.176 2.221 6.800
291 1HG GLU 37 HG2 GLU 37 59.951 2.231 9.734
292 2HG GLU 37 HG1 GLU 37 60.740 1.288 8.473
293 H LYS 38 HN LYS 38 55.859 2.524 8.449
294 HA LYS 38 HA LYS 38 54.813 2.817 5.818
295 1HB LYS 38 HB2 LYS 38 53.335 2.753 8.469
296 2HB LYS 38 HB1 LYS 38 52.602 2.515 6.885
297 1HG LYS 38 HG2 LYS 38 54.092 0.548 6.536
298 2HG LYS 38 HG1 LYS 38 54.688 0.753 8.185
299 1HD LYS 38 HD2 LYS 38 52.304 0.558 8.990
300 2HD LYS 38 HD1 LYS 38 51.841 0.156 7.339
301 1HE LYS 38 HE2 LYS 38 53.992 -1.508 7.803
302 2HE LYS 38 HE1 LYS 38 53.154 -1.508 9.352
303 1HZ LYS 38 HZ1 LYS 38 52.413 -3.180 7.588
304 2HZ LYS 38 HZ2 LYS 38 51.672 -1.855 6.825
305 3HZ LYS 38 HZ3 LYS 38 51.211 -2.299 8.398
306 H GLN 39 HN GLN 39 54.829 4.729 8.724
307 HA GLN 39 HA GLN 39 53.116 6.781 7.845
308 1HB GLN 39 HB2 GLN 39 53.939 6.566 10.191
309 2HB GLN 39 HB1 GLN 39 55.527 7.127 9.648
310 1HG GLN 39 HG2 GLN 39 54.236 9.028 10.501
311 2HG GLN 39 HG1 GLN 39 54.447 9.190 8.753
312 1HE2 GLN 39 HE21 GLN 39 52.654 8.601 7.378
313 2HE2 GLN 39 HE22 GLN 39 51.068 8.553 7.959
314 H ARG 40 HN ARG 40 56.610 6.358 7.365
315 HA ARG 40 HA ARG 40 56.991 8.873 6.057
316 1HB ARG 40 HB2 ARG 40 58.439 6.238 5.651
317 2HB ARG 40 HB1 ARG 40 58.991 7.796 5.035
318 1HG ARG 40 HG2 ARG 40 59.022 8.668 7.373
319 2HG ARG 40 HG1 ARG 40 58.587 7.058 7.948
320 1HD ARG 40 HD2 ARG 40 60.977 7.241 8.127
321 2HD ARG 40 HD1 ARG 40 60.645 6.188 6.752
322 HE ARG 40 HE ARG 40 61.704 8.945 6.606
323 1HH1 ARG 40 HH21 ARG 40 60.445 6.121 5.074
324 2HH1 ARG 40 HH22 ARG 40 61.039 6.549 3.504
325 1HH2 ARG 40 HH11 ARG 40 62.483 9.517 4.567
326 2HH2 ARG 40 HH12 ARG 40 62.192 8.471 3.217
327 H HIS 41 HN HIS 41 55.927 5.676 4.913
328 HA HIS 41 HA HIS 41 55.918 6.413 2.133
329 1HB HIS 41 HB2 HIS 41 54.078 4.345 3.359
330 2HB HIS 41 HB1 HIS 41 54.671 4.424 1.706
331 HD1 HIS 41 HD1 HIS 41 57.667 5.100 2.441
332 HD2 HIS 41 HD2 HIS 41 55.445 1.956 4.032
333 HE1 HIS 41 HE1 HIS 41 59.336 3.412 3.324
334 H LEU 42 HN LEU 42 53.453 6.504 4.649
335 HA LEU 42 HA LEU 42 51.366 7.608 3.017
336 1HB LEU 42 HB2 LEU 42 51.869 8.029 5.978
337 2HB LEU 42 HB1 LEU 42 50.338 8.263 5.142
338 HG LEU 42 HG LEU 42 51.811 5.639 5.487
339 1HD1 LEU 42 HD11 LEU 42 49.066 5.790 6.420
340 2HD1 LEU 42 HD12 LEU 42 50.080 6.999 7.205
341 3HD1 LEU 42 HD13 LEU 42 50.516 5.293 7.293
342 1HD2 LEU 42 HD21 LEU 42 49.622 6.487 3.684
343 2HD2 LEU 42 HD22 LEU 42 49.336 4.989 4.569
344 3HD2 LEU 42 HD23 LEU 42 50.753 5.139 3.532
345 H ASP 43 HN ASP 43 54.072 8.940 4.798
346 HA ASP 43 HA ASP 43 53.385 11.663 4.773
347 1HB ASP 43 HB2 ASP 43 56.101 10.354 4.734
348 2HB ASP 43 HB1 ASP 43 55.844 12.076 5.001
349 H LYS 44 HN LYS 44 55.029 9.721 2.346
350 HA LYS 44 HA LYS 44 54.313 10.657 -0.003
351 1HB LYS 44 HB2 LYS 44 54.292 13.007 0.808
352 2HB LYS 44 HB1 LYS 44 56.036 12.923 1.053
353 1HG LYS 44 HG2 LYS 44 55.691 13.965 -1.061
354 2HG LYS 44 HG1 LYS 44 56.163 12.302 -1.428
355 1HD LYS 44 HD2 LYS 44 53.960 11.651 -1.921
356 2HD LYS 44 HD1 LYS 44 53.262 13.046 -1.097
357 1HE LYS 44 HE2 LYS 44 53.670 14.455 -2.889
358 2HE LYS 44 HE1 LYS 44 55.105 13.567 -3.395
359 1HZ LYS 44 HZ1 LYS 44 53.878 12.475 -4.855
360 2HZ LYS 44 HZ2 LYS 44 52.501 13.348 -4.375
361 3HZ LYS 44 HZ3 LYS 44 52.885 11.878 -3.617
362 H LYS 45 HN LYS 45 55.606 8.597 0.114
363 HA LYS 45 HA LYS 45 58.536 8.911 0.013
364 1HB LYS 45 HB2 LYS 45 57.470 6.817 0.860
365 2HB LYS 45 HB1 LYS 45 56.912 6.479 -0.778
366 1HG LYS 45 HG2 LYS 45 59.280 6.588 -1.550
367 2HG LYS 45 HG1 LYS 45 59.786 6.816 0.124
368 1HD LYS 45 HD2 LYS 45 58.639 4.650 0.691
369 2HD LYS 45 HD1 LYS 45 58.359 4.414 -1.036
370 1HE LYS 45 HE2 LYS 45 60.682 3.735 0.426
371 2HE LYS 45 HE1 LYS 45 60.456 3.655 -1.321
372 1HZ LYS 45 HZ1 LYS 45 62.349 5.040 -0.729
373 2HZ LYS 45 HZ2 LYS 45 61.343 6.050 0.195
374 3HZ LYS 45 HZ3 LYS 45 61.143 5.958 -1.489
375 H GLN 46 HN GLN 46 59.796 8.948 -1.873
376 HA GLN 46 HA GLN 46 58.630 9.965 -4.232
377 1HB GLN 46 HB2 GLN 46 61.108 9.933 -3.648
378 2HB GLN 46 HB1 GLN 46 61.126 8.244 -4.158
379 1HG GLN 46 HG2 GLN 46 60.239 8.949 -6.384
380 2HG GLN 46 HG1 GLN 46 60.358 10.628 -5.865
381 1HE2 GLN 46 HE21 GLN 46 61.981 8.504 -7.735
382 2HE2 GLN 46 HE22 GLN 46 63.579 9.012 -7.468
383 H ARG 47 HN ARG 47 59.293 6.569 -3.274
384 HA ARG 47 HA ARG 47 57.173 5.740 -5.130
385 1HB ARG 47 HB2 ARG 47 60.022 4.793 -5.506
386 2HB ARG 47 HB1 ARG 47 58.620 4.049 -6.272
387 1HG ARG 47 HG2 ARG 47 58.063 6.258 -7.299
388 2HG ARG 47 HG1 ARG 47 59.550 6.908 -6.617
389 1HD ARG 47 HD2 ARG 47 60.813 5.098 -7.834
390 2HD ARG 47 HD1 ARG 47 59.304 4.677 -8.646
391 HE ARG 47 HE ARG 47 59.417 7.283 -9.261
392 1HH1 ARG 47 HH21 ARG 47 61.906 4.900 -9.105
393 2HH1 ARG 47 HH22 ARG 47 62.888 5.660 -10.311
394 1HH2 ARG 47 HH11 ARG 47 60.691 8.291 -10.828
395 2HH2 ARG 47 HH12 ARG 47 62.203 7.580 -11.286
396 H PHE 48 HN PHE 48 55.973 4.408 -3.888
397 HA PHE 48 HA PHE 48 57.369 2.386 -2.153
398 1HB PHE 48 HB2 PHE 48 55.692 4.220 -1.155
399 2HB PHE 48 HB1 PHE 48 54.463 3.153 -1.824
400 HD1 PHE 48 HD1 PHE 48 53.484 1.838 -0.171
401 HD2 PHE 48 HD2 PHE 48 57.716 2.576 0.012
402 HE1 PHE 48 HE1 PHE 48 53.661 0.359 1.807
403 HE2 PHE 48 HE2 PHE 48 57.880 1.106 1.991
404 HZ PHE 48 HZ PHE 48 55.868 -0.018 2.879
405 H HIS 49 HN HIS 49 56.913 0.187 -2.942
406 HA HIS 49 HA HIS 49 55.001 0.149 -5.248
407 1HB HIS 49 HB2 HIS 49 57.427 -1.578 -4.767
408 2HB HIS 49 HB1 HIS 49 56.323 -1.736 -6.132
409 HD1 HIS 49 HD1 HIS 49 55.929 0.840 -7.332
410 HD2 HIS 49 HD2 HIS 49 59.571 -0.023 -5.504
411 HE1 HIS 49 HE1 HIS 49 57.617 2.462 -8.298
412 H ASN 50 HN ASN 50 53.529 -1.408 -5.556
413 HA ASN 50 HA ASN 50 52.964 -3.253 -3.279
414 1HB ASN 50 HB2 ASN 50 51.207 -1.607 -3.744
415 2HB ASN 50 HB1 ASN 50 51.124 -2.163 -5.399
416 1HD2 ASN 50 HD21 ASN 50 50.931 -3.551 -2.086
417 2HD2 ASN 50 HD22 ASN 50 49.709 -4.663 -2.460
418 H ILE 51 HN ILE 51 52.865 -5.402 -3.610
419 HA ILE 51 HA ILE 51 52.936 -6.427 -6.422
420 HB ILE 51 HB ILE 51 53.979 -7.802 -3.929
421 1HG1 ILE 51 HG12 ILE 51 55.485 -6.511 -6.206
422 2HG1 ILE 51 HG11 ILE 51 55.331 -5.823 -4.594
423 1HG2 ILE 51 HG21 ILE 51 53.138 -9.273 -5.771
424 2HG2 ILE 51 HG22 ILE 51 54.871 -9.442 -5.488
425 3HG2 ILE 51 HG23 ILE 51 54.289 -8.498 -6.860
426 1HD1 ILE 51 HD11 ILE 51 56.649 -8.445 -5.330
427 2HD1 ILE 51 HD12 ILE 51 56.375 -7.907 -3.673
428 3HD1 ILE 51 HD13 ILE 51 57.451 -6.995 -4.732
429 H ARG 52 HN ARG 52 51.305 -7.952 -6.924
430 HA ARG 52 HA ARG 52 48.913 -7.897 -5.480
431 1HB ARG 52 HB2 ARG 52 49.151 -8.754 -7.807
432 2HB ARG 52 HB1 ARG 52 49.922 -10.204 -7.173
433 1HG ARG 52 HG2 ARG 52 47.644 -10.805 -7.499
434 2HG ARG 52 HG1 ARG 52 47.802 -10.533 -5.767
435 1HD ARG 52 HD2 ARG 52 46.904 -8.233 -6.063
436 2HD ARG 52 HD1 ARG 52 46.715 -8.545 -7.786
437 HE ARG 52 HE ARG 52 45.305 -10.602 -6.587
438 1HH1 ARG 52 HH21 ARG 52 45.389 -7.165 -6.349
439 2HH1 ARG 52 HH22 ARG 52 43.708 -7.017 -5.955
440 1HH2 ARG 52 HH11 ARG 52 43.111 -10.434 -6.075
441 2HH2 ARG 52 HH12 ARG 52 42.418 -8.870 -5.801
442 H GLY 53 HN GLY 53 48.859 -8.352 -3.337
443 1HA GLY 53 HA2 GLY 53 48.461 -9.968 -1.608
444 2HA GLY 53 HA1 GLY 53 49.428 -11.135 -2.509
445 H ARG 54 HN ARG 54 51.418 -8.701 -2.795
446 HA ARG 54 HA ARG 54 52.510 -8.790 -0.029
447 1HB ARG 54 HB2 ARG 54 53.569 -10.614 -1.359
448 2HB ARG 54 HB1 ARG 54 54.162 -9.404 -2.494
449 1HG ARG 54 HG2 ARG 54 55.379 -8.283 -0.651
450 2HG ARG 54 HG1 ARG 54 54.810 -9.527 0.464
451 1HD ARG 54 HD2 ARG 54 55.913 -11.249 -0.971
452 2HD ARG 54 HD1 ARG 54 56.576 -9.953 -1.964
453 HE ARG 54 HE ARG 54 57.674 -9.154 0.230
454 1HH1 ARG 54 HH21 ARG 54 56.817 -12.448 -0.427
455 2HH1 ARG 54 HH22 ARG 54 58.016 -13.098 0.636
456 1HH2 ARG 54 HH11 ARG 54 59.231 -10.006 1.611
457 2HH2 ARG 54 HH12 ARG 54 59.377 -11.723 1.785
458 H TRP 55 HN TRP 55 53.773 -6.946 0.520
459 HA TRP 55 HA TRP 55 53.634 -4.773 -1.519
460 1HB TRP 55 HB2 TRP 55 52.886 -4.821 1.240
461 2HB TRP 55 HB1 TRP 55 54.197 -3.665 1.040
462 HD1 TRP 55 HD1 TRP 55 50.552 -4.236 0.121
463 HE1 TRP 55 HE1 TRP 55 49.686 -2.185 -1.175
464 HE3 TRP 55 HE3 TRP 55 54.921 -1.703 -0.514
465 HZ2 TRP 55 HZ2 TRP 55 50.734 0.199 -2.353
466 HZ3 TRP 55 HZ3 TRP 55 54.953 0.463 -1.693
467 HH2 TRP 55 HH2 TRP 55 52.870 1.426 -2.620
468 H THR 56 HN THR 56 55.427 -3.450 -1.884
469 HA THR 56 HA THR 56 57.993 -4.476 -0.742
470 HB THR 56 HB THR 56 57.505 -3.381 -3.523
471 HG1 THR 56 HG1 THR 56 58.441 -5.865 -3.452
472 1HG2 THR 56 HG21 THR 56 59.932 -4.694 -3.496
473 2HG2 THR 56 HG22 THR 56 59.911 -3.880 -1.931
474 3HG2 THR 56 HG23 THR 56 59.718 -2.947 -3.413
475 H GLY 57 HN GLY 57 59.462 -2.904 -0.075
476 1HA GLY 57 HA2 GLY 57 59.638 -0.232 -0.763
477 2HA GLY 57 HA1 GLY 57 58.358 -0.277 0.429
478 H ARG 58 HN ARG 58 59.154 -1.955 2.359
479 HA ARG 58 HA ARG 58 61.189 -0.566 3.763
480 1HB ARG 58 HB2 ARG 58 59.682 -2.277 4.789
481 2HB ARG 58 HB1 ARG 58 60.581 -3.530 3.955
482 1HG ARG 58 HG2 ARG 58 62.634 -2.792 5.069
483 2HG ARG 58 HG1 ARG 58 61.741 -1.543 5.901
484 1HD ARG 58 HD2 ARG 58 60.253 -3.515 6.748
485 2HD ARG 58 HD1 ARG 58 61.582 -4.529 6.274
486 HE ARG 58 HE ARG 58 62.677 -3.804 8.215
487 1HH1 ARG 58 HH21 ARG 58 60.501 -1.424 6.960
488 2HH1 ARG 58 HH22 ARG 58 60.746 -0.317 8.269
489 1HH2 ARG 58 HH11 ARG 58 63.030 -2.341 9.925
490 2HH2 ARG 58 HH12 ARG 58 62.187 -0.828 9.938
491 H CYS 59 HN CYS 59 61.243 -3.331 1.643
492 HA CYS 59 HA CYS 59 64.062 -3.735 1.895
493 1HB CYS 59 HB2 CYS 59 61.922 -5.160 0.883
494 2HB CYS 59 HB1 CYS 59 62.937 -4.823 -0.513
495 H MET 60 HN MET 60 62.110 -1.595 0.039
496 HA MET 60 HA MET 60 63.849 -1.250 -2.208
497 1HB MET 60 HB2 MET 60 61.590 -0.148 -1.933
498 2HB MET 60 HB1 MET 60 62.338 0.967 -0.789
499 1HG MET 60 HG2 MET 60 63.998 1.585 -2.573
500 2HG MET 60 HG1 MET 60 63.075 0.600 -3.707
501 1HE MET 60 HE1 MET 60 59.985 2.050 -4.450
502 2HE MET 60 HE2 MET 60 59.731 1.583 -2.770
503 3HE MET 60 HE3 MET 60 60.760 0.597 -3.803
504 H SER 61 HN SER 61 63.906 0.143 1.060
505 HA SER 61 HA SER 61 66.239 1.785 0.612
506 1HB SER 61 HB2 SER 61 66.299 2.020 3.023
507 2HB SER 61 HB1 SER 61 64.612 2.069 2.518
508 HG SER 61 HG SER 61 64.473 -0.144 3.068
509 H CYS 62 HN CYS 62 65.710 -1.577 1.471
510 HA CYS 62 HA CYS 62 68.335 -2.162 2.444
511 1HB CYS 62 HB2 CYS 62 66.432 -4.046 0.994
512 2HB CYS 62 HB1 CYS 62 67.790 -4.506 2.018
513 H SER 63 HN SER 63 67.083 -1.692 -0.766
514 HA SER 63 HA SER 63 69.761 -2.465 -1.859
515 1HB SER 63 HB2 SER 63 68.649 -3.078 -3.942
516 2HB SER 63 HB1 SER 63 67.899 -3.954 -2.611
517 HG SER 63 HG SER 63 66.472 -1.921 -2.626
518 H ARG 64 HN ARG 64 70.534 -1.113 -3.626
519 HA ARG 64 HA ARG 64 69.218 1.575 -3.695
520 1HB ARG 64 HB2 ARG 64 72.174 0.897 -3.772
521 2HB ARG 64 HB1 ARG 64 71.511 2.513 -4.014
522 1HG ARG 64 HG2 ARG 64 70.439 2.365 -1.761
523 2HG ARG 64 HG1 ARG 64 71.240 0.812 -1.518
524 1HD ARG 64 HD2 ARG 64 72.611 3.475 -1.999
525 2HD ARG 64 HD1 ARG 64 72.560 2.589 -0.475
526 HE ARG 64 HE ARG 64 73.741 1.164 -2.780
527 1HH1 ARG 64 HH21 ARG 64 74.096 3.013 0.108
528 2HH1 ARG 64 HH22 ARG 64 75.729 2.508 0.389
529 1HH2 ARG 64 HH11 ARG 64 75.874 0.493 -2.428
530 2HH2 ARG 64 HH12 ARG 64 76.735 1.082 -1.045
531 H SER 65 HN SER 65 69.165 2.610 -5.728
532 HA SER 65 HA SER 65 69.997 0.896 -8.036
533 1HB SER 65 HB2 SER 65 67.626 2.783 -7.880
534 2HB SER 65 HB1 SER 65 68.078 1.807 -9.274
535 HG SER 65 HG SER 65 67.404 0.038 -8.270
536 H SER 66 HN SER 66 70.914 2.016 -9.833
537 HA SER 66 HA SER 66 72.451 4.338 -9.209
538 1HB SER 66 HB2 SER 66 73.034 4.382 -11.562
539 2HB SER 66 HB1 SER 66 72.950 2.696 -11.055
540 HG SER 66 HG SER 66 71.761 3.567 -13.069
541 H ARG 67 HN ARG 67 69.211 3.924 -10.444
542 HA ARG 67 HA ARG 67 68.768 6.471 -11.603
543 1HB ARG 67 HB2 ARG 67 66.859 4.720 -10.021
544 2HB ARG 67 HB1 ARG 67 66.373 6.084 -11.028
545 1HG ARG 67 HG2 ARG 67 67.450 4.974 -12.986
546 2HG ARG 67 HG1 ARG 67 67.803 3.580 -11.964
547 1HD ARG 67 HD2 ARG 67 65.329 3.434 -11.467
548 2HD ARG 67 HD1 ARG 67 65.075 4.665 -12.703
549 HE ARG 67 HE ARG 67 66.633 2.413 -13.686
550 1HH1 ARG 67 HH21 ARG 67 63.497 3.656 -12.985
551 2HH1 ARG 67 HH22 ARG 67 62.694 2.649 -14.143
552 1HH2 ARG 67 HH11 ARG 67 65.608 1.089 -15.195
553 2HH2 ARG 67 HH12 ARG 67 63.890 1.193 -15.396
Start of MODEL 5
1 H ALA 1 HT1 ALA 1 55.338 -4.663 -6.482
2 HA ALA 1 HA ALA 1 54.848 -2.575 -7.644
3 1HB ALA 1 HB1 ALA 1 57.161 -3.697 -7.557
4 2HB ALA 1 HB2 ALA 1 56.914 -2.517 -8.846
5 3HB ALA 1 HB3 ALA 1 56.835 -4.243 -9.202
6 H MET 2 HN MET 2 55.080 -5.345 -9.897
7 HA MET 2 HA MET 2 54.088 -3.947 -12.155
8 1HB MET 2 HB2 MET 2 53.849 -6.886 -11.438
9 2HB MET 2 HB1 MET 2 53.487 -6.215 -13.028
10 1HG MET 2 HG2 MET 2 55.825 -5.301 -13.108
11 2HG MET 2 HG1 MET 2 56.161 -6.162 -11.606
12 1HE MET 2 HE1 MET 2 54.263 -8.953 -12.238
13 2HE MET 2 HE2 MET 2 55.621 -8.498 -11.212
14 3HE MET 2 HE3 MET 2 55.803 -9.812 -12.370
15 H SER 3 HN SER 3 52.350 -5.625 -9.521
16 HA SER 3 HA SER 3 49.774 -5.533 -10.756
17 1HB SER 3 HB2 SER 3 48.900 -5.902 -8.541
18 2HB SER 3 HB1 SER 3 50.441 -6.756 -8.613
19 HG SER 3 HG SER 3 51.274 -4.606 -7.794
20 H TYR 4 HN TYR 4 51.294 -3.265 -8.430
21 HA TYR 4 HA TYR 4 50.414 -0.965 -9.862
22 1HB TYR 4 HB2 TYR 4 48.640 -0.090 -8.555
23 2HB TYR 4 HB1 TYR 4 48.199 -1.758 -8.902
24 HD1 TYR 4 HD1 TYR 4 49.292 0.611 -6.317
25 HD2 TYR 4 HD2 TYR 4 48.240 -3.465 -7.164
26 HE1 TYR 4 HE1 TYR 4 49.045 0.172 -3.892
27 HE2 TYR 4 HE2 TYR 4 47.997 -3.906 -4.738
28 HH TYR 4 HH TYR 4 48.240 -3.086 -2.689
29 H SER 5 HN SER 5 50.887 1.088 -8.558
30 HA SER 5 HA SER 5 52.636 0.583 -6.221
31 1HB SER 5 HB2 SER 5 54.481 1.853 -7.205
32 2HB SER 5 HB1 SER 5 54.100 0.440 -8.163
33 HG SER 5 HG SER 5 54.360 2.669 -9.187
34 H LEU 6 HN LEU 6 53.025 2.515 -4.949
35 HA LEU 6 HA LEU 6 51.103 4.712 -5.620
36 1HB LEU 6 HB2 LEU 6 52.099 3.853 -2.889
37 2HB LEU 6 HB1 LEU 6 50.857 5.063 -3.225
38 HG LEU 6 HG LEU 6 50.718 2.124 -3.934
39 1HD1 LEU 6 HD11 LEU 6 49.249 1.853 -2.160
40 2HD1 LEU 6 HD12 LEU 6 48.743 3.541 -2.189
41 3HD1 LEU 6 HD13 LEU 6 50.302 3.099 -1.490
42 1HD2 LEU 6 HD21 LEU 6 49.057 4.503 -4.660
43 2HD2 LEU 6 HD22 LEU 6 48.263 2.946 -4.428
44 3HD2 LEU 6 HD23 LEU 6 49.525 3.121 -5.648
45 H TYR 7 HN TYR 7 51.974 6.722 -5.873
46 HA TYR 7 HA TYR 7 54.809 7.119 -5.874
47 1HB TYR 7 HB2 TYR 7 53.191 8.471 -7.244
48 2HB TYR 7 HB1 TYR 7 52.685 9.270 -5.752
49 HD1 TYR 7 HD1 TYR 7 55.376 8.880 -8.209
50 HD2 TYR 7 HD2 TYR 7 54.267 10.682 -4.476
51 HE1 TYR 7 HE1 TYR 7 57.365 10.356 -8.333
52 HE2 TYR 7 HE2 TYR 7 56.244 12.174 -4.609
53 HH TYR 7 HH TYR 7 58.272 12.288 -7.475
54 H GLY 8 HN GLY 8 52.234 7.849 -3.536
55 1HA GLY 8 HA2 GLY 8 52.960 7.784 -1.113
56 2HA GLY 8 HA1 GLY 8 54.372 8.717 -1.617
57 H THR 9 HN THR 9 51.558 9.440 -3.321
58 HA THR 9 HA THR 9 51.399 12.136 -2.218
59 HB THR 9 HB THR 9 49.697 12.515 -3.910
60 HG1 THR 9 HG1 THR 9 49.307 9.904 -3.559
61 1HG2 THR 9 HG21 THR 9 52.298 11.530 -4.469
62 2HG2 THR 9 HG22 THR 9 51.322 12.620 -5.447
63 3HG2 THR 9 HG23 THR 9 51.217 10.879 -5.698
64 H THR 10 HN THR 10 49.080 12.954 -1.691
65 HA THR 10 HA THR 10 48.178 11.743 0.681
66 HB THR 10 HB THR 10 46.176 13.162 0.425
67 HG1 THR 10 HG1 THR 10 46.387 12.593 -2.041
68 1HG2 THR 10 HG21 THR 10 48.329 14.235 1.026
69 2HG2 THR 10 HG22 THR 10 47.292 15.318 0.096
70 3HG2 THR 10 HG23 THR 10 48.650 14.509 -0.686
71 H LEU 11 HN LEU 11 47.824 10.671 -2.491
72 HA LEU 11 HA LEU 11 45.277 9.445 -2.491
73 1HB LEU 11 HB2 LEU 11 47.837 8.581 -3.799
74 2HB LEU 11 HB1 LEU 11 46.231 7.994 -4.234
75 HG LEU 11 HG LEU 11 47.193 10.867 -4.382
76 1HD1 LEU 11 HD11 LEU 11 47.882 9.091 -6.164
77 2HD1 LEU 11 HD12 LEU 11 47.191 10.613 -6.723
78 3HD1 LEU 11 HD13 LEU 11 46.191 9.163 -6.659
79 1HD2 LEU 11 HD21 LEU 11 44.941 11.126 -3.891
80 2HD2 LEU 11 HD22 LEU 11 44.500 9.575 -4.604
81 3HD2 LEU 11 HD23 LEU 11 44.863 10.952 -5.644
82 H GLU 12 HN GLU 12 48.346 8.293 -1.148
83 HA GLU 12 HA GLU 12 47.523 5.603 -0.615
84 1HB GLU 12 HB2 GLU 12 49.530 7.346 0.845
85 2HB GLU 12 HB1 GLU 12 49.341 5.610 1.101
86 1HG GLU 12 HG2 GLU 12 49.803 5.235 -1.313
87 2HG GLU 12 HG1 GLU 12 50.085 6.964 -1.508
88 H GLN 13 HN GLN 13 46.833 8.607 0.906
89 HA GLN 13 HA GLN 13 46.220 7.912 3.536
90 1HB GLN 13 HB2 GLN 13 44.745 9.770 1.647
91 2HB GLN 13 HB1 GLN 13 44.615 9.803 3.407
92 1HG GLN 13 HG2 GLN 13 46.981 10.281 3.633
93 2HG GLN 13 HG1 GLN 13 47.218 10.108 1.894
94 1HE2 GLN 13 HE21 GLN 13 48.073 12.458 2.464
95 2HE2 GLN 13 HE22 GLN 13 46.939 13.681 2.183
96 H GLN 14 HN GLN 14 44.284 7.401 0.578
97 HA GLN 14 HA GLN 14 41.881 6.553 1.857
98 1HB GLN 14 HB2 GLN 14 42.193 6.967 -0.618
99 2HB GLN 14 HB1 GLN 14 43.055 5.431 -0.705
100 1HG GLN 14 HG2 GLN 14 41.074 4.247 0.127
101 2HG GLN 14 HG1 GLN 14 40.206 5.778 0.272
102 1HE2 GLN 14 HE21 GLN 14 39.026 3.930 -1.399
103 2HE2 GLN 14 HE22 GLN 14 39.256 4.355 -3.026
104 H TYR 15 HN TYR 15 44.843 4.797 0.966
105 HA TYR 15 HA TYR 15 43.941 2.236 1.967
106 1HB TYR 15 HB2 TYR 15 46.728 3.297 1.455
107 2HB TYR 15 HB1 TYR 15 46.388 1.652 1.975
108 HD1 TYR 15 HD1 TYR 15 43.744 2.870 -0.115
109 HD2 TYR 15 HD2 TYR 15 47.716 1.230 -0.207
110 HE1 TYR 15 HE1 TYR 15 43.390 2.133 -2.453
111 HE2 TYR 15 HE2 TYR 15 47.364 0.495 -2.540
112 HH TYR 15 HH TYR 15 44.630 0.057 -3.935
113 H ASN 16 HN ASN 16 45.262 5.092 3.441
114 HA ASN 16 HA ASN 16 46.585 4.098 5.667
115 1HB ASN 16 HB2 ASN 16 46.242 6.510 5.158
116 2HB ASN 16 HB1 ASN 16 44.594 6.375 5.768
117 1HD2 ASN 16 HD21 ASN 16 48.012 5.869 6.777
118 2HD2 ASN 16 HD22 ASN 16 47.732 6.189 8.420
119 H LYS 17 HN LYS 17 42.993 4.269 5.339
120 HA LYS 17 HA LYS 17 42.560 3.447 8.042
121 1HB LYS 17 HB2 LYS 17 40.446 2.320 6.529
122 2HB LYS 17 HB1 LYS 17 40.440 3.805 7.459
123 1HG LYS 17 HG2 LYS 17 40.911 5.154 5.617
124 2HG LYS 17 HG1 LYS 17 41.597 3.834 4.679
125 1HD LYS 17 HD2 LYS 17 39.379 2.835 4.394
126 2HD LYS 17 HD1 LYS 17 38.671 4.063 5.437
127 1HE LYS 17 HE2 LYS 17 38.408 5.408 3.656
128 2HE LYS 17 HE1 LYS 17 40.155 5.416 3.415
129 1HZ LYS 17 HZ1 LYS 17 39.801 4.282 1.562
130 2HZ LYS 17 HZ2 LYS 17 38.150 4.089 1.911
131 3HZ LYS 17 HZ3 LYS 17 39.282 2.968 2.501
132 HA PRO 18 HA PRO 18 42.802 -1.100 6.716
133 1HB PRO 18 HB2 PRO 18 42.593 -1.900 4.185
134 2HB PRO 18 HB1 PRO 18 41.165 -1.259 5.029
135 1HG PRO 18 HG2 PRO 18 42.978 0.093 3.080
136 2HG PRO 18 HG1 PRO 18 41.208 0.122 3.176
137 1HD PRO 18 HD2 PRO 18 42.858 2.100 4.207
138 2HD PRO 18 HD1 PRO 18 41.202 1.780 4.729
139 H LEU 19 HN LEU 19 44.994 1.147 5.654
140 HA LEU 19 HA LEU 19 46.728 -0.100 3.889
141 1HB LEU 19 HB2 LEU 19 47.113 2.169 4.824
142 2HB LEU 19 HB1 LEU 19 47.608 1.440 6.349
143 HG LEU 19 HG LEU 19 49.342 0.153 5.008
144 1HD1 LEU 19 HD11 LEU 19 48.571 0.330 2.777
145 2HD1 LEU 19 HD12 LEU 19 49.957 1.417 2.845
146 3HD1 LEU 19 HD13 LEU 19 48.322 2.070 2.918
147 1HD2 LEU 19 HD21 LEU 19 50.465 2.656 4.514
148 2HD2 LEU 19 HD22 LEU 19 50.566 1.757 6.026
149 3HD2 LEU 19 HD23 LEU 19 49.296 2.960 5.799
150 H SER 20 HN SER 20 46.719 -0.648 7.464
151 HA SER 20 HA SER 20 48.818 -2.634 7.266
152 1HB SER 20 HB2 SER 20 48.194 -3.259 9.526
153 2HB SER 20 HB1 SER 20 48.088 -1.505 9.411
154 HG SER 20 HG SER 20 45.763 -2.311 8.665
155 H ASP 21 HN ASP 21 45.334 -2.622 7.006
156 HA ASP 21 HA ASP 21 44.878 -5.442 6.956
157 1HB ASP 21 HB2 ASP 21 43.307 -3.129 5.804
158 2HB ASP 21 HB1 ASP 21 42.715 -4.783 5.840
159 H LEU 22 HN LEU 22 45.668 -3.142 4.360
160 HA LEU 22 HA LEU 22 45.055 -4.801 2.158
161 1HB LEU 22 HB2 LEU 22 47.332 -2.813 2.380
162 2HB LEU 22 HB1 LEU 22 46.654 -3.438 0.879
163 HG LEU 22 HG LEU 22 45.213 -1.756 2.945
164 1HD1 LEU 22 HD11 LEU 22 45.138 -0.078 1.217
165 2HD1 LEU 22 HD12 LEU 22 45.819 -1.195 0.034
166 3HD1 LEU 22 HD13 LEU 22 46.813 -0.610 1.369
167 1HD2 LEU 22 HD21 LEU 22 43.466 -1.829 0.959
168 2HD2 LEU 22 HD22 LEU 22 43.491 -3.115 2.167
169 3HD2 LEU 22 HD23 LEU 22 44.261 -3.363 0.599
170 H LEU 23 HN LEU 23 48.020 -4.697 4.104
171 HA LEU 23 HA LEU 23 49.114 -7.006 4.363
172 1HB LEU 23 HB2 LEU 23 49.954 -8.048 2.302
173 2HB LEU 23 HB1 LEU 23 48.211 -7.900 2.211
174 HG LEU 23 HG LEU 23 49.054 -5.476 1.152
175 1HD1 LEU 23 HD11 LEU 23 51.075 -5.601 0.158
176 2HD1 LEU 23 HD12 LEU 23 50.734 -7.195 -0.503
177 3HD1 LEU 23 HD13 LEU 23 51.370 -7.040 1.130
178 1HD2 LEU 23 HD21 LEU 23 47.875 -7.945 0.128
179 2HD2 LEU 23 HD22 LEU 23 48.883 -7.163 -1.086
180 3HD2 LEU 23 HD23 LEU 23 47.557 -6.276 -0.342
181 H ILE 24 HN ILE 24 50.581 -5.485 5.423
182 HA ILE 24 HA ILE 24 52.498 -4.220 3.497
183 HB ILE 24 HB ILE 24 51.886 -3.352 6.318
184 1HG1 ILE 24 HG12 ILE 24 49.895 -3.010 4.984
185 2HG1 ILE 24 HG11 ILE 24 50.708 -1.459 5.166
186 1HG2 ILE 24 HG21 ILE 24 53.493 -1.778 6.006
187 2HG2 ILE 24 HG22 ILE 24 52.975 -1.456 4.358
188 3HG2 ILE 24 HG23 ILE 24 54.054 -2.808 4.692
189 1HD1 ILE 24 HD11 ILE 24 50.312 -1.443 2.886
190 2HD1 ILE 24 HD12 ILE 24 50.471 -3.193 2.743
191 3HD1 ILE 24 HD13 ILE 24 51.909 -2.189 2.925
192 H ARG 25 HN ARG 25 54.501 -4.929 3.532
193 HA ARG 25 HA ARG 25 55.844 -5.623 6.012
194 1HB ARG 25 HB2 ARG 25 55.424 -7.740 3.924
195 2HB ARG 25 HB1 ARG 25 56.794 -7.766 5.016
196 1HG ARG 25 HG2 ARG 25 55.282 -7.704 6.947
197 2HG ARG 25 HG1 ARG 25 53.889 -7.747 5.839
198 1HD ARG 25 HD2 ARG 25 54.982 -9.883 4.863
199 2HD ARG 25 HD1 ARG 25 55.997 -9.863 6.295
200 HE ARG 25 HE ARG 25 54.121 -10.473 7.620
201 1HH1 ARG 25 HH21 ARG 25 53.299 -9.611 4.385
202 2HH1 ARG 25 HH22 ARG 25 51.673 -10.197 4.498
203 1HH2 ARG 25 HH11 ARG 25 51.998 -11.245 7.788
204 2HH2 ARG 25 HH12 ARG 25 50.937 -11.124 6.425
205 H CYS 26 HN CYS 26 58.082 -6.207 5.635
206 HA CYS 26 HA CYS 26 59.374 -4.295 3.842
207 1HB CYS 26 HB2 CYS 26 59.895 -5.866 6.216
208 2HB CYS 26 HB1 CYS 26 61.237 -5.969 5.083
209 H ILE 27 HN ILE 27 60.678 -4.963 2.063
210 HA ILE 27 HA ILE 27 60.011 -7.463 0.828
211 HB ILE 27 HB ILE 27 60.961 -5.310 -0.260
212 1HG1 ILE 27 HG12 ILE 27 62.361 -7.842 -1.108
213 2HG1 ILE 27 HG11 ILE 27 60.616 -7.665 -1.280
214 1HG2 ILE 27 HG21 ILE 27 63.641 -6.525 -0.118
215 2HG2 ILE 27 HG22 ILE 27 63.087 -5.819 1.394
216 3HG2 ILE 27 HG23 ILE 27 63.170 -4.829 -0.065
217 1HD1 ILE 27 HD11 ILE 27 61.756 -5.259 -2.258
218 2HD1 ILE 27 HD12 ILE 27 60.966 -6.528 -3.196
219 3HD1 ILE 27 HD13 ILE 27 62.709 -6.575 -2.942
220 H ASN 28 HN ASN 28 62.413 -6.467 3.171
221 HA ASN 28 HA ASN 28 63.667 -9.180 3.022
222 1HB ASN 28 HB2 ASN 28 65.681 -8.159 3.185
223 2HB ASN 28 HB1 ASN 28 64.853 -6.619 3.020
224 1HD2 ASN 28 HD21 ASN 28 65.570 -5.236 4.671
225 2HD2 ASN 28 HD22 ASN 28 65.838 -5.700 6.278
226 H CYS 29 HN CYS 29 62.747 -6.657 5.409
227 HA CYS 29 HA CYS 29 63.103 -8.418 7.647
228 1HB CYS 29 HB2 CYS 29 61.391 -5.918 7.604
229 2HB CYS 29 HB1 CYS 29 62.170 -6.650 8.994
230 H GLN 30 HN GLN 30 60.585 -7.761 5.433
231 HA GLN 30 HA GLN 30 58.574 -8.827 5.005
232 1HB GLN 30 HB2 GLN 30 59.437 -10.810 7.115
233 2HB GLN 30 HB1 GLN 30 58.250 -11.069 5.830
234 1HG GLN 30 HG2 GLN 30 61.194 -10.530 5.498
235 2HG GLN 30 HG1 GLN 30 60.348 -12.020 5.121
236 1HE2 GLN 30 HE21 GLN 30 61.159 -8.880 3.981
237 2HE2 GLN 30 HE22 GLN 30 60.332 -8.946 2.512
238 H LYS 31 HN LYS 31 57.988 -10.433 7.777
239 HA LYS 31 HA LYS 31 55.609 -9.187 8.485
240 1HB LYS 31 HB2 LYS 31 57.414 -11.109 9.747
241 2HB LYS 31 HB1 LYS 31 56.445 -10.185 10.895
242 1HG LYS 31 HG2 LYS 31 54.397 -10.819 9.728
243 2HG LYS 31 HG1 LYS 31 55.333 -11.666 8.496
244 1HD LYS 31 HD2 LYS 31 56.274 -13.124 10.325
245 2HD LYS 31 HD1 LYS 31 55.127 -12.372 11.434
246 1HE LYS 31 HE2 LYS 31 54.109 -14.405 10.642
247 2HE LYS 31 HE1 LYS 31 53.284 -13.067 9.842
248 1HZ LYS 31 HZ1 LYS 31 53.748 -14.520 8.120
249 2HZ LYS 31 HZ2 LYS 31 55.276 -14.938 8.735
250 3HZ LYS 31 HZ3 LYS 31 55.031 -13.416 8.021
251 HA PRO 32 HA PRO 32 57.793 -6.867 12.135
252 1HB PRO 32 HB2 PRO 32 60.506 -6.621 11.629
253 2HB PRO 32 HB1 PRO 32 59.775 -7.768 12.755
254 1HG PRO 32 HG2 PRO 32 60.704 -8.167 9.962
255 2HG PRO 32 HG1 PRO 32 60.823 -9.254 11.354
256 1HD PRO 32 HD2 PRO 32 59.018 -9.669 9.465
257 2HD PRO 32 HD1 PRO 32 58.615 -9.950 11.173
258 H LEU 33 HN LEU 33 56.614 -5.299 10.616
259 HA LEU 33 HA LEU 33 58.603 -3.509 9.256
260 1HB LEU 33 HB2 LEU 33 56.646 -4.749 7.968
261 2HB LEU 33 HB1 LEU 33 55.655 -3.509 8.738
262 HG LEU 33 HG LEU 33 57.097 -1.759 7.728
263 1HD1 LEU 33 HD11 LEU 33 59.002 -2.299 6.595
264 2HD1 LEU 33 HD12 LEU 33 58.184 -3.577 5.694
265 3HD1 LEU 33 HD13 LEU 33 58.839 -3.913 7.282
266 1HD2 LEU 33 HD21 LEU 33 55.070 -3.298 6.588
267 2HD2 LEU 33 HD22 LEU 33 56.323 -3.309 5.349
268 3HD2 LEU 33 HD23 LEU 33 55.679 -1.775 5.944
269 H SER 34 HN SER 34 58.921 -1.657 10.246
270 HA SER 34 HA SER 34 57.232 -0.899 12.476
271 1HB SER 34 HB2 SER 34 58.814 0.998 12.698
272 2HB SER 34 HB1 SER 34 59.683 -0.530 12.581
273 HG SER 34 HG SER 34 59.498 0.105 10.156
274 HA PRO 35 HA PRO 35 54.587 1.211 9.643
275 1HB PRO 35 HB2 PRO 35 53.475 2.950 11.552
276 2HB PRO 35 HB1 PRO 35 52.828 1.387 11.029
277 1HG PRO 35 HG2 PRO 35 54.242 2.082 13.483
278 2HG PRO 35 HG1 PRO 35 53.170 0.724 13.133
279 1HD PRO 35 HD2 PRO 35 55.921 0.535 13.389
280 2HD PRO 35 HD1 PRO 35 54.890 -0.658 12.567
281 H GLU 36 HN GLU 36 57.069 2.429 11.538
282 HA GLU 36 HA GLU 36 56.940 5.220 10.877
283 1HB GLU 36 HB2 GLU 36 58.467 4.215 12.605
284 2HB GLU 36 HB1 GLU 36 59.428 3.533 11.293
285 1HG GLU 36 HG2 GLU 36 59.767 5.835 10.391
286 2HG GLU 36 HG1 GLU 36 58.898 6.479 11.784
287 H GLU 37 HN GLU 37 58.383 2.388 9.214
288 HA GLU 37 HA GLU 37 59.433 4.048 7.060
289 1HB GLU 37 HB2 GLU 37 58.903 1.068 7.216
290 2HB GLU 37 HB1 GLU 37 59.764 1.875 5.907
291 1HG GLU 37 HG2 GLU 37 61.415 2.738 7.536
292 2HG GLU 37 HG1 GLU 37 60.583 1.859 8.818
293 H LYS 38 HN LYS 38 56.491 2.226 7.681
294 HA LYS 38 HA LYS 38 55.273 2.398 5.108
295 1HB LYS 38 HB2 LYS 38 53.941 2.618 7.840
296 2HB LYS 38 HB1 LYS 38 53.139 2.197 6.334
297 1HG LYS 38 HG2 LYS 38 54.559 0.165 6.176
298 2HG LYS 38 HG1 LYS 38 55.272 0.564 7.738
299 1HD LYS 38 HD2 LYS 38 52.846 0.622 8.635
300 2HD LYS 38 HD1 LYS 38 52.402 -0.158 7.122
301 1HE LYS 38 HE2 LYS 38 54.535 -1.684 7.909
302 2HE LYS 38 HE1 LYS 38 53.804 -1.274 9.455
303 1HZ LYS 38 HZ1 LYS 38 52.963 -3.232 7.761
304 2HZ LYS 38 HZ2 LYS 38 51.852 -1.974 7.497
305 3HZ LYS 38 HZ3 LYS 38 52.085 -2.591 9.062
306 H GLN 39 HN GLN 39 55.532 4.470 7.907
307 HA GLN 39 HA GLN 39 53.826 6.547 7.071
308 1HB GLN 39 HB2 GLN 39 54.767 6.324 9.381
309 2HB GLN 39 HB1 GLN 39 56.333 6.841 8.749
310 1HG GLN 39 HG2 GLN 39 55.150 8.778 9.659
311 2HG GLN 39 HG1 GLN 39 55.258 8.926 7.901
312 1HE2 GLN 39 HE21 GLN 39 53.390 8.382 6.650
313 2HE2 GLN 39 HE22 GLN 39 51.836 8.371 7.310
314 H ARG 40 HN ARG 40 57.264 5.974 6.425
315 HA ARG 40 HA ARG 40 57.777 8.443 5.119
316 1HB ARG 40 HB2 ARG 40 59.531 6.771 5.711
317 2HB ARG 40 HB1 ARG 40 58.930 5.728 4.420
318 1HG ARG 40 HG2 ARG 40 59.364 7.546 2.780
319 2HG ARG 40 HG1 ARG 40 60.031 8.534 4.080
320 1HD ARG 40 HD2 ARG 40 61.720 6.751 4.519
321 2HD ARG 40 HD1 ARG 40 61.093 5.857 3.134
322 HE ARG 40 HE ARG 40 62.054 7.503 1.677
323 1HH1 ARG 40 HH21 ARG 40 62.363 8.228 5.037
324 2HH1 ARG 40 HH22 ARG 40 63.545 9.469 4.793
325 1HH2 ARG 40 HH11 ARG 40 63.592 9.121 1.344
326 2HH2 ARG 40 HH12 ARG 40 64.243 9.975 2.704
327 H HIS 41 HN HIS 41 56.416 5.375 3.891
328 HA HIS 41 HA HIS 41 56.328 6.268 1.145
329 1HB HIS 41 HB2 HIS 41 54.354 4.314 2.360
330 2HB HIS 41 HB1 HIS 41 54.919 4.400 0.694
331 HD1 HIS 41 HD1 HIS 41 57.960 4.801 1.348
332 HD2 HIS 41 HD2 HIS 41 55.539 1.851 3.008
333 HE1 HIS 41 HE1 HIS 41 59.514 3.005 2.215
334 H LEU 42 HN LEU 42 53.995 6.385 3.787
335 HA LEU 42 HA LEU 42 51.911 7.754 2.360
336 1HB LEU 42 HB2 LEU 42 52.630 7.878 5.298
337 2HB LEU 42 HB1 LEU 42 51.071 8.300 4.606
338 HG LEU 42 HG LEU 42 52.358 5.552 4.547
339 1HD1 LEU 42 HD11 LEU 42 49.817 5.540 5.799
340 2HD1 LEU 42 HD12 LEU 42 50.699 6.901 6.490
341 3HD1 LEU 42 HD13 LEU 42 51.385 5.277 6.563
342 1HD2 LEU 42 HD21 LEU 42 49.728 5.236 3.863
343 2HD2 LEU 42 HD22 LEU 42 51.045 5.354 2.695
344 3HD2 LEU 42 HD23 LEU 42 50.093 6.783 3.101
345 H ASP 43 HN ASP 43 54.801 8.771 4.063
346 HA ASP 43 HA ASP 43 54.324 11.533 4.288
347 1HB ASP 43 HB2 ASP 43 56.927 10.046 3.927
348 2HB ASP 43 HB1 ASP 43 56.815 11.749 4.358
349 H LYS 44 HN LYS 44 55.611 9.641 1.624
350 HA LYS 44 HA LYS 44 54.875 10.644 -0.633
351 1HB LYS 44 HB2 LYS 44 54.771 12.960 0.265
352 2HB LYS 44 HB1 LYS 44 56.529 12.966 0.413
353 1HG LYS 44 HG2 LYS 44 56.036 14.051 -1.641
354 2HG LYS 44 HG1 LYS 44 56.534 12.419 -2.102
355 1HD LYS 44 HD2 LYS 44 54.298 11.711 -2.442
356 2HD LYS 44 HD1 LYS 44 53.639 13.103 -1.587
357 1HE LYS 44 HE2 LYS 44 54.126 12.842 -4.380
358 2HE LYS 44 HE1 LYS 44 53.565 14.273 -3.520
359 1HZ LYS 44 HZ1 LYS 44 55.591 15.198 -3.556
360 2HZ LYS 44 HZ2 LYS 44 55.864 14.149 -4.863
361 3HZ LYS 44 HZ3 LYS 44 56.401 13.730 -3.307
362 H LYS 45 HN LYS 45 56.293 8.629 -0.453
363 HA LYS 45 HA LYS 45 59.181 9.003 -0.732
364 1HB LYS 45 HB2 LYS 45 58.137 6.882 0.127
365 2HB LYS 45 HB1 LYS 45 57.542 6.573 -1.506
366 1HG LYS 45 HG2 LYS 45 59.889 6.693 -2.345
367 2HG LYS 45 HG1 LYS 45 60.442 6.896 -0.683
368 1HD LYS 45 HD2 LYS 45 59.361 4.723 -0.094
369 2HD LYS 45 HD1 LYS 45 58.953 4.503 -1.797
370 1HE LYS 45 HE2 LYS 45 61.738 4.747 -0.624
371 2HE LYS 45 HE1 LYS 45 61.015 3.300 -1.328
372 1HZ LYS 45 HZ1 LYS 45 62.377 5.376 -2.631
373 2HZ LYS 45 HZ2 LYS 45 60.771 5.368 -3.184
374 3HZ LYS 45 HZ3 LYS 45 61.721 3.963 -3.300
375 H GLN 46 HN GLN 46 60.374 8.999 -2.709
376 HA GLN 46 HA GLN 46 59.097 10.134 -4.965
377 1HB GLN 46 HB2 GLN 46 61.628 8.461 -4.847
378 2HB GLN 46 HB1 GLN 46 61.138 9.445 -6.228
379 1HG GLN 46 HG2 GLN 46 61.193 11.463 -4.835
380 2HG GLN 46 HG1 GLN 46 61.635 10.495 -3.427
381 1HE2 GLN 46 HE21 GLN 46 63.386 12.521 -4.221
382 2HE2 GLN 46 HE22 GLN 46 64.785 11.844 -4.906
383 H ARG 47 HN ARG 47 59.738 6.708 -4.173
384 HA ARG 47 HA ARG 47 57.565 6.000 -6.019
385 1HB ARG 47 HB2 ARG 47 60.381 4.977 -6.431
386 2HB ARG 47 HB1 ARG 47 58.952 4.271 -7.188
387 1HG ARG 47 HG2 ARG 47 58.419 6.507 -8.164
388 2HG ARG 47 HG1 ARG 47 59.938 7.117 -7.502
389 1HD ARG 47 HD2 ARG 47 61.141 5.321 -8.780
390 2HD ARG 47 HD1 ARG 47 59.606 4.899 -9.539
391 HE ARG 47 HE ARG 47 59.633 7.013 -10.694
392 1HH1 ARG 47 HH21 ARG 47 62.329 6.469 -8.605
393 2HH1 ARG 47 HH22 ARG 47 63.303 7.704 -9.326
394 1HH2 ARG 47 HH11 ARG 47 60.893 8.629 -11.640
395 2HH2 ARG 47 HH12 ARG 47 62.491 8.927 -11.041
396 H PHE 48 HN PHE 48 56.338 4.576 -4.967
397 HA PHE 48 HA PHE 48 57.682 2.604 -3.181
398 1HB PHE 48 HB2 PHE 48 56.185 4.326 -2.008
399 2HB PHE 48 HB1 PHE 48 54.836 3.604 -2.870
400 HD1 PHE 48 HD1 PHE 48 57.743 1.713 -1.421
401 HD2 PHE 48 HD2 PHE 48 53.589 2.776 -1.050
402 HE1 PHE 48 HE1 PHE 48 57.466 0.015 0.330
403 HE2 PHE 48 HE2 PHE 48 53.324 1.064 0.723
404 HZ PHE 48 HZ PHE 48 55.263 -0.318 1.410
405 H HIS 49 HN HIS 49 57.161 0.388 -3.728
406 HA HIS 49 HA HIS 49 55.258 0.180 -6.037
407 1HB HIS 49 HB2 HIS 49 57.716 -1.470 -5.428
408 2HB HIS 49 HB1 HIS 49 56.638 -1.724 -6.792
409 HD1 HIS 49 HD1 HIS 49 56.289 0.618 -8.293
410 HD2 HIS 49 HD2 HIS 49 59.795 0.221 -6.072
411 HE1 HIS 49 HE1 HIS 49 57.949 2.257 -9.277
412 H ASN 50 HN ASN 50 53.725 -1.423 -6.075
413 HA ASN 50 HA ASN 50 53.544 -3.125 -3.622
414 1HB ASN 50 HB2 ASN 50 51.747 -1.412 -3.816
415 2HB ASN 50 HB1 ASN 50 51.241 -2.163 -5.321
416 1HD2 ASN 50 HD21 ASN 50 51.787 -2.948 -1.860
417 2HD2 ASN 50 HD22 ASN 50 50.631 -4.189 -1.803
418 H ILE 51 HN ILE 51 53.302 -5.261 -3.868
419 HA ILE 51 HA ILE 51 52.793 -6.351 -6.612
420 HB ILE 51 HB ILE 51 54.154 -7.723 -4.264
421 1HG1 ILE 51 HG12 ILE 51 55.374 -6.727 -6.849
422 2HG1 ILE 51 HG11 ILE 51 55.517 -5.886 -5.303
423 1HG2 ILE 51 HG21 ILE 51 54.271 -8.677 -7.098
424 2HG2 ILE 51 HG22 ILE 51 52.798 -8.973 -6.174
425 3HG2 ILE 51 HG23 ILE 51 54.340 -9.604 -5.599
426 1HD1 ILE 51 HD11 ILE 51 57.456 -7.163 -5.285
427 2HD1 ILE 51 HD12 ILE 51 56.709 -8.485 -6.181
428 3HD1 ILE 51 HD13 ILE 51 56.337 -8.257 -4.472
429 H ARG 52 HN ARG 52 50.932 -7.726 -6.730
430 HA ARG 52 HA ARG 52 48.995 -7.402 -4.695
431 1HB ARG 52 HB2 ARG 52 48.502 -8.132 -7.046
432 2HB ARG 52 HB1 ARG 52 49.167 -9.715 -6.652
433 1HG ARG 52 HG2 ARG 52 46.813 -9.942 -6.378
434 2HG ARG 52 HG1 ARG 52 47.456 -9.796 -4.744
435 1HD ARG 52 HD2 ARG 52 46.898 -7.368 -4.767
436 2HD ARG 52 HD1 ARG 52 46.213 -7.559 -6.378
437 HE ARG 52 HE ARG 52 45.014 -8.498 -3.857
438 1HH1 ARG 52 HH21 ARG 52 45.132 -8.555 -7.303
439 2HH1 ARG 52 HH22 ARG 52 43.508 -9.134 -7.481
440 1HH2 ARG 52 HH11 ARG 52 42.891 -9.247 -4.071
441 2HH2 ARG 52 HH12 ARG 52 42.241 -9.526 -5.652
442 H GLY 53 HN GLY 53 48.868 -8.264 -2.727
443 1HA GLY 53 HA2 GLY 53 48.849 -10.055 -1.135
444 2HA GLY 53 HA1 GLY 53 49.869 -11.001 -2.222
445 H ARG 54 HN ARG 54 51.600 -8.512 -2.594
446 HA ARG 54 HA ARG 54 52.910 -8.425 0.078
447 1HB ARG 54 HB2 ARG 54 53.957 -10.224 -1.296
448 2HB ARG 54 HB1 ARG 54 54.372 -9.014 -2.508
449 1HG ARG 54 HG2 ARG 54 55.682 -7.777 -0.802
450 2HG ARG 54 HG1 ARG 54 55.303 -9.033 0.377
451 1HD ARG 54 HD2 ARG 54 56.366 -10.714 -1.134
452 2HD ARG 54 HD1 ARG 54 56.837 -9.400 -2.211
453 HE ARG 54 HE ARG 54 57.767 -8.854 0.451
454 1HH1 ARG 54 HH21 ARG 54 58.255 -10.863 -2.309
455 2HH1 ARG 54 HH22 ARG 54 59.945 -11.094 -2.007
456 1HH2 ARG 54 HH11 ARG 54 59.970 -9.148 0.862
457 2HH2 ARG 54 HH12 ARG 54 60.916 -10.122 -0.213
458 H TRP 55 HN TRP 55 54.079 -6.502 0.485
459 HA TRP 55 HA TRP 55 53.771 -4.367 -1.591
460 1HB TRP 55 HB2 TRP 55 53.115 -4.387 1.194
461 2HB TRP 55 HB1 TRP 55 54.480 -3.286 0.986
462 HD1 TRP 55 HD1 TRP 55 50.794 -3.423 0.569
463 HE1 TRP 55 HE1 TRP 55 49.968 -1.401 -0.798
464 HE3 TRP 55 HE3 TRP 55 55.251 -1.648 -1.132
465 HZ2 TRP 55 HZ2 TRP 55 51.079 0.685 -2.426
466 HZ3 TRP 55 HZ3 TRP 55 55.331 0.357 -2.562
467 HH2 TRP 55 HH2 TRP 55 53.261 1.533 -3.215
468 H THR 56 HN THR 56 55.730 -3.140 -2.160
469 HA THR 56 HA THR 56 58.189 -4.166 -0.812
470 HB THR 56 HB THR 56 57.627 -5.450 -2.950
471 HG1 THR 56 HG1 THR 56 60.088 -4.066 -3.009
472 1HG2 THR 56 HG21 THR 56 57.023 -3.244 -4.146
473 2HG2 THR 56 HG22 THR 56 57.993 -4.413 -5.042
474 3HG2 THR 56 HG23 THR 56 58.763 -3.009 -4.303
475 H GLY 57 HN GLY 57 60.137 -2.988 -1.335
476 1HA GLY 57 HA2 GLY 57 61.292 -1.022 -2.164
477 2HA GLY 57 HA1 GLY 57 59.741 -0.184 -2.236
478 H ARG 58 HN ARG 58 58.927 -1.208 0.392
479 HA ARG 58 HA ARG 58 59.865 0.894 2.047
480 1HB ARG 58 HB2 ARG 58 57.757 -0.228 2.445
481 2HB ARG 58 HB1 ARG 58 58.621 -1.727 2.804
482 1HG ARG 58 HG2 ARG 58 59.775 -0.650 4.647
483 2HG ARG 58 HG1 ARG 58 58.933 0.868 4.291
484 1HD ARG 58 HD2 ARG 58 57.588 -1.716 4.918
485 2HD ARG 58 HD1 ARG 58 57.849 -0.470 6.120
486 HE ARG 58 HE ARG 58 56.226 0.910 4.935
487 1HH1 ARG 58 HH21 ARG 58 56.739 -2.241 3.605
488 2HH1 ARG 58 HH22 ARG 58 55.234 -2.262 2.750
489 1HH2 ARG 58 HH11 ARG 58 54.258 0.878 3.834
490 2HH2 ARG 58 HH12 ARG 58 53.835 -0.501 2.875
491 H CYS 59 HN CYS 59 60.980 -2.438 1.879
492 HA CYS 59 HA CYS 59 62.692 -2.173 4.129
493 1HB CYS 59 HB2 CYS 59 62.014 -4.278 2.749
494 2HB CYS 59 HB1 CYS 59 63.416 -3.839 1.787
495 H MET 60 HN MET 60 62.965 -1.144 0.786
496 HA MET 60 HA MET 60 65.757 -0.777 0.607
497 1HB MET 60 HB2 MET 60 64.079 -0.298 -1.230
498 2HB MET 60 HB1 MET 60 63.670 1.195 -0.383
499 1HG MET 60 HG2 MET 60 66.092 1.848 -0.500
500 2HG MET 60 HG1 MET 60 66.379 0.429 -1.505
501 1HE MET 60 HE1 MET 60 64.745 0.853 -4.690
502 2HE MET 60 HE2 MET 60 63.494 0.517 -3.497
503 3HE MET 60 HE3 MET 60 65.086 -0.217 -3.322
504 H SER 61 HN SER 61 63.255 1.094 2.250
505 HA SER 61 HA SER 61 64.866 3.312 3.049
506 1HB SER 61 HB2 SER 61 62.633 1.993 4.629
507 2HB SER 61 HB1 SER 61 63.220 3.642 4.825
508 HG SER 61 HG SER 61 62.665 3.399 2.294
509 H CYS 62 HN CYS 62 64.455 0.036 4.308
510 HA CYS 62 HA CYS 62 65.893 0.350 6.750
511 1HB CYS 62 HB2 CYS 62 65.622 -2.091 4.956
512 2HB CYS 62 HB1 CYS 62 66.313 -2.099 6.545
513 H SER 63 HN SER 63 66.947 0.037 3.428
514 HA SER 63 HA SER 63 69.779 0.060 4.407
515 1HB SER 63 HB2 SER 63 68.703 -0.965 1.764
516 2HB SER 63 HB1 SER 63 70.390 -0.987 2.265
517 HG SER 63 HG SER 63 69.748 -2.320 4.021
518 H ARG 64 HN ARG 64 71.194 1.562 3.430
519 HA ARG 64 HA ARG 64 69.890 3.549 1.617
520 1HB ARG 64 HB2 ARG 64 70.112 4.371 3.983
521 2HB ARG 64 HB1 ARG 64 71.859 4.188 3.831
522 1HG ARG 64 HG2 ARG 64 71.821 5.741 1.886
523 2HG ARG 64 HG1 ARG 64 70.092 5.976 2.138
524 1HD ARG 64 HD2 ARG 64 72.263 6.586 4.167
525 2HD ARG 64 HD1 ARG 64 71.388 7.782 3.209
526 HE ARG 64 HE ARG 64 69.786 5.977 4.933
527 1HH1 ARG 64 HH21 ARG 64 71.178 9.065 4.259
528 2HH1 ARG 64 HH22 ARG 64 70.138 9.915 5.352
529 1HH2 ARG 64 HH11 ARG 64 68.430 7.072 6.362
530 2HH2 ARG 64 HH12 ARG 64 68.583 8.788 6.542
531 H SER 65 HN SER 65 71.205 4.301 -0.066
532 HA SER 65 HA SER 65 73.362 2.654 -0.929
533 1HB SER 65 HB2 SER 65 73.704 4.299 -2.673
534 2HB SER 65 HB1 SER 65 71.971 4.145 -2.400
535 HG SER 65 HG SER 65 73.010 6.348 -2.478
536 H SER 66 HN SER 66 73.279 5.477 1.132
537 HA SER 66 HA SER 66 76.265 5.358 1.302
538 1HB SER 66 HB2 SER 66 76.233 7.730 1.886
539 2HB SER 66 HB1 SER 66 75.380 7.499 0.363
540 HG SER 66 HG SER 66 74.356 8.816 2.122
541 H ARG 67 HN ARG 67 77.151 5.631 3.457
542 HA ARG 67 HA ARG 67 75.352 4.550 5.534
543 1HB ARG 67 HB2 ARG 67 78.332 5.126 5.537
544 2HB ARG 67 HB1 ARG 67 77.455 4.370 6.869
545 1HG ARG 67 HG2 ARG 67 76.716 2.568 5.299
546 2HG ARG 67 HG1 ARG 67 77.729 3.291 4.049
547 1HD ARG 67 HD2 ARG 67 78.677 2.203 6.715
548 2HD ARG 67 HD1 ARG 67 78.953 1.476 5.132
549 HE ARG 67 HE ARG 67 80.411 3.741 6.252
550 1HH1 ARG 67 HH21 ARG 67 79.316 2.109 3.417
551 2HH1 ARG 67 HH22 ARG 67 80.577 2.739 2.409
552 1HH2 ARG 67 HH11 ARG 67 82.061 4.568 4.953
553 2HH2 ARG 67 HH12 ARG 67 82.131 4.129 3.279
Start of MODEL 6
1 H ALA 1 HT1 ALA 1 51.050 -2.170 -15.974
2 HA ALA 1 HA ALA 1 48.849 -3.064 -15.550
3 1HB ALA 1 HB1 ALA 1 49.096 -5.110 -16.881
4 2HB ALA 1 HB2 ALA 1 50.819 -5.162 -16.513
5 3HB ALA 1 HB3 ALA 1 50.169 -3.857 -17.505
6 H MET 2 HN MET 2 50.553 -6.063 -15.078
7 HA MET 2 HA MET 2 48.829 -6.958 -13.007
8 1HB MET 2 HB2 MET 2 51.646 -7.850 -13.692
9 2HB MET 2 HB1 MET 2 50.546 -8.730 -12.632
10 1HG MET 2 HG2 MET 2 50.075 -8.084 -15.557
11 2HG MET 2 HG1 MET 2 50.436 -9.674 -14.885
12 1HE MET 2 HE1 MET 2 49.227 -10.766 -13.141
13 2HE MET 2 HE2 MET 2 47.492 -10.692 -12.841
14 3HE MET 2 HE3 MET 2 48.563 -9.528 -12.067
15 H SER 3 HN SER 3 51.901 -5.227 -12.862
16 HA SER 3 HA SER 3 51.524 -5.100 -9.896
17 1HB SER 3 HB2 SER 3 54.107 -4.865 -11.471
18 2HB SER 3 HB1 SER 3 53.956 -4.779 -9.719
19 HG SER 3 HG SER 3 54.153 -6.867 -9.804
20 H TYR 4 HN TYR 4 51.712 -3.054 -8.940
21 HA TYR 4 HA TYR 4 52.232 -0.744 -10.736
22 1HB TYR 4 HB2 TYR 4 50.204 0.379 -10.210
23 2HB TYR 4 HB1 TYR 4 49.727 -1.265 -10.626
24 HD1 TYR 4 HD1 TYR 4 49.091 -2.881 -8.858
25 HD2 TYR 4 HD2 TYR 4 49.999 1.219 -7.952
26 HE1 TYR 4 HE1 TYR 4 48.026 -3.136 -6.634
27 HE2 TYR 4 HE2 TYR 4 48.937 0.963 -5.727
28 HH TYR 4 HH TYR 4 47.743 -0.374 -4.404
29 H SER 5 HN SER 5 52.439 1.313 -9.426
30 HA SER 5 HA SER 5 53.384 0.697 -6.657
31 1HB SER 5 HB2 SER 5 55.222 2.316 -7.050
32 2HB SER 5 HB1 SER 5 55.289 0.939 -8.128
33 HG SER 5 HG SER 5 55.556 2.780 -9.351
34 H LEU 6 HN LEU 6 53.231 2.410 -5.155
35 HA LEU 6 HA LEU 6 51.184 4.448 -5.908
36 1HB LEU 6 HB2 LEU 6 50.564 2.747 -4.231
37 2HB LEU 6 HB1 LEU 6 51.928 3.236 -3.244
38 HG LEU 6 HG LEU 6 50.975 5.506 -3.107
39 1HD1 LEU 6 HD11 LEU 6 48.265 4.982 -3.630
40 2HD1 LEU 6 HD12 LEU 6 49.117 4.304 -5.018
41 3HD1 LEU 6 HD13 LEU 6 49.324 6.005 -4.598
42 1HD2 LEU 6 HD21 LEU 6 48.826 4.394 -1.825
43 2HD2 LEU 6 HD22 LEU 6 50.464 4.431 -1.173
44 3HD2 LEU 6 HD23 LEU 6 49.880 2.997 -2.009
45 H TYR 7 HN TYR 7 52.045 6.467 -6.130
46 HA TYR 7 HA TYR 7 54.624 7.253 -5.143
47 1HB TYR 7 HB2 TYR 7 53.500 8.314 -7.118
48 2HB TYR 7 HB1 TYR 7 52.345 9.049 -6.001
49 HD1 TYR 7 HD1 TYR 7 55.769 9.089 -7.261
50 HD2 TYR 7 HD2 TYR 7 53.124 10.666 -4.268
51 HE1 TYR 7 HE1 TYR 7 57.431 10.842 -6.718
52 HE2 TYR 7 HE2 TYR 7 54.783 12.432 -3.735
53 HH TYR 7 HH TYR 7 57.476 12.565 -4.015
54 H GLY 8 HN GLY 8 51.293 7.712 -4.084
55 1HA GLY 8 HA2 GLY 8 50.692 7.920 -1.743
56 2HA GLY 8 HA1 GLY 8 52.295 8.553 -1.414
57 H THR 9 HN THR 9 51.080 9.959 -4.255
58 HA THR 9 HA THR 9 50.989 12.568 -3.126
59 HB THR 9 HB THR 9 49.920 13.284 -5.217
60 HG1 THR 9 HG1 THR 9 48.659 11.929 -6.146
61 1HG2 THR 9 HG21 THR 9 51.701 12.771 -6.645
62 2HG2 THR 9 HG22 THR 9 51.890 11.152 -5.985
63 3HG2 THR 9 HG23 THR 9 52.402 12.554 -5.044
64 H THR 10 HN THR 10 48.322 10.215 -3.576
65 HA THR 10 HA THR 10 46.768 11.677 -1.601
66 HB THR 10 HB THR 10 46.288 13.178 -3.406
67 HG1 THR 10 HG1 THR 10 44.347 13.006 -2.643
68 1HG2 THR 10 HG21 THR 10 46.120 12.570 -5.585
69 2HG2 THR 10 HG22 THR 10 45.100 11.181 -5.215
70 3HG2 THR 10 HG23 THR 10 46.851 11.057 -5.049
71 H LEU 11 HN LEU 11 46.711 9.244 -4.188
72 HA LEU 11 HA LEU 11 44.345 7.870 -3.444
73 1HB LEU 11 HB2 LEU 11 46.938 6.713 -4.493
74 2HB LEU 11 HB1 LEU 11 45.352 5.944 -4.588
75 HG LEU 11 HG LEU 11 46.176 8.549 -5.907
76 1HD1 LEU 11 HD11 LEU 11 45.864 7.343 -7.986
77 2HD1 LEU 11 HD12 LEU 11 45.263 5.926 -7.124
78 3HD1 LEU 11 HD13 LEU 11 46.953 6.401 -6.967
79 1HD2 LEU 11 HD21 LEU 11 43.525 7.244 -5.423
80 2HD2 LEU 11 HD22 LEU 11 43.780 8.056 -6.968
81 3HD2 LEU 11 HD23 LEU 11 43.939 8.959 -5.462
82 H GLU 12 HN GLU 12 47.630 7.609 -2.231
83 HA GLU 12 HA GLU 12 47.323 5.306 -0.613
84 1HB GLU 12 HB2 GLU 12 49.472 6.360 -1.207
85 2HB GLU 12 HB1 GLU 12 49.102 7.703 -0.133
86 1HG GLU 12 HG2 GLU 12 48.959 6.099 1.761
87 2HG GLU 12 HG1 GLU 12 49.430 4.796 0.672
88 H GLN 13 HN GLN 13 46.357 8.640 -0.011
89 HA GLN 13 HA GLN 13 46.199 8.518 2.802
90 1HB GLN 13 HB2 GLN 13 44.151 9.836 0.986
91 2HB GLN 13 HB1 GLN 13 44.533 10.280 2.652
92 1HG GLN 13 HG2 GLN 13 46.276 10.568 0.206
93 2HG GLN 13 HG1 GLN 13 45.731 11.834 1.304
94 1HE2 GLN 13 HE21 GLN 13 48.421 10.166 0.507
95 2HE2 GLN 13 HE22 GLN 13 49.221 10.112 1.996
96 H GLN 14 HN GLN 14 43.954 7.339 0.310
97 HA GLN 14 HA GLN 14 41.904 6.455 2.116
98 1HB GLN 14 HB2 GLN 14 42.728 5.389 -0.606
99 2HB GLN 14 HB1 GLN 14 41.248 4.936 0.242
100 1HG GLN 14 HG2 GLN 14 40.507 7.274 0.240
101 2HG GLN 14 HG1 GLN 14 41.999 7.760 -0.566
102 1HE2 GLN 14 HE21 GLN 14 39.481 8.247 -1.806
103 2HE2 GLN 14 HE22 GLN 14 39.344 7.250 -3.172
104 H TYR 15 HN TYR 15 44.874 4.995 0.884
105 HA TYR 15 HA TYR 15 44.456 2.409 2.047
106 1HB TYR 15 HB2 TYR 15 46.999 3.802 1.193
107 2HB TYR 15 HB1 TYR 15 46.937 2.132 1.740
108 HD1 TYR 15 HD1 TYR 15 43.904 2.989 0.024
109 HD2 TYR 15 HD2 TYR 15 48.006 1.855 -0.632
110 HE1 TYR 15 HE1 TYR 15 43.333 2.232 -2.255
111 HE2 TYR 15 HE2 TYR 15 47.423 1.108 -2.919
112 HH TYR 15 HH TYR 15 45.593 0.468 -4.233
113 H ASN 16 HN ASN 16 45.570 5.435 3.350
114 HA ASN 16 HA ASN 16 47.191 4.610 5.471
115 1HB ASN 16 HB2 ASN 16 46.575 6.976 4.826
116 2HB ASN 16 HB1 ASN 16 45.073 6.750 5.723
117 1HD2 ASN 16 HD21 ASN 16 45.271 7.675 7.761
118 2HD2 ASN 16 HD22 ASN 16 46.661 7.612 8.733
119 H LYS 17 HN LYS 17 43.599 4.569 5.422
120 HA LYS 17 HA LYS 17 43.379 3.821 8.187
121 1HB LYS 17 HB2 LYS 17 41.189 2.644 6.800
122 2HB LYS 17 HB1 LYS 17 41.197 4.083 7.800
123 1HG LYS 17 HG2 LYS 17 41.391 5.525 5.990
124 2HG LYS 17 HG1 LYS 17 42.165 4.324 4.976
125 1HD LYS 17 HD2 LYS 17 39.688 5.003 4.487
126 2HD LYS 17 HD1 LYS 17 40.153 3.317 4.371
127 1HE LYS 17 HE2 LYS 17 37.999 3.909 5.679
128 2HE LYS 17 HE1 LYS 17 39.115 2.763 6.411
129 1HZ LYS 17 HZ1 LYS 17 39.101 4.127 8.155
130 2HZ LYS 17 HZ2 LYS 17 38.340 5.375 7.289
131 3HZ LYS 17 HZ3 LYS 17 40.029 5.198 7.225
132 HA PRO 18 HA PRO 18 43.037 -0.736 6.705
133 1HB PRO 18 HB2 PRO 18 43.446 -1.330 4.096
134 2HB PRO 18 HB1 PRO 18 41.877 -0.776 4.715
135 1HG PRO 18 HG2 PRO 18 44.019 0.762 3.337
136 2HG PRO 18 HG1 PRO 18 42.268 0.791 3.064
137 1HD PRO 18 HD2 PRO 18 43.533 2.688 4.544
138 2HD PRO 18 HD1 PRO 18 41.876 2.171 4.868
139 H LEU 19 HN LEU 19 45.819 1.175 6.252
140 HA LEU 19 HA LEU 19 47.576 -0.591 4.976
141 1HB LEU 19 HB2 LEU 19 48.255 1.045 7.432
142 2HB LEU 19 HB1 LEU 19 49.420 0.321 6.326
143 HG LEU 19 HG LEU 19 47.401 2.476 5.693
144 1HD1 LEU 19 HD11 LEU 19 49.602 3.073 6.823
145 2HD1 LEU 19 HD12 LEU 19 49.321 3.855 5.268
146 3HD1 LEU 19 HD13 LEU 19 50.411 2.473 5.373
147 1HD2 LEU 19 HD21 LEU 19 47.388 1.191 3.726
148 2HD2 LEU 19 HD22 LEU 19 49.067 0.698 3.929
149 3HD2 LEU 19 HD23 LEU 19 48.687 2.341 3.412
150 H SER 20 HN SER 20 46.491 -0.768 8.406
151 HA SER 20 HA SER 20 48.109 -3.087 8.972
152 1HB SER 20 HB2 SER 20 45.328 -2.488 10.047
153 2HB SER 20 HB1 SER 20 46.535 -3.540 10.781
154 HG SER 20 HG SER 20 46.230 -0.876 10.992
155 H ASP 21 HN ASP 21 44.936 -2.527 7.569
156 HA ASP 21 HA ASP 21 44.214 -5.260 7.073
157 1HB ASP 21 HB2 ASP 21 43.330 -2.679 5.763
158 2HB ASP 21 HB1 ASP 21 42.598 -4.243 5.431
159 H LEU 22 HN LEU 22 46.070 -2.871 5.241
160 HA LEU 22 HA LEU 22 46.195 -4.557 2.853
161 1HB LEU 22 HB2 LEU 22 47.920 -2.160 3.541
162 2HB LEU 22 HB1 LEU 22 47.701 -2.876 1.951
163 HG LEU 22 HG LEU 22 45.582 -1.469 3.597
164 1HD1 LEU 22 HD11 LEU 22 45.817 0.316 2.176
165 2HD1 LEU 22 HD12 LEU 22 46.338 -0.691 0.826
166 3HD1 LEU 22 HD13 LEU 22 47.473 -0.293 2.114
167 1HD2 LEU 22 HD21 LEU 22 44.307 -1.792 1.345
168 2HD2 LEU 22 HD22 LEU 22 44.366 -3.138 2.484
169 3HD2 LEU 22 HD23 LEU 22 45.442 -3.118 1.086
170 H LEU 23 HN LEU 23 48.015 -5.677 2.125
171 HA LEU 23 HA LEU 23 49.576 -7.059 4.078
172 1HB LEU 23 HB2 LEU 23 50.905 -7.737 2.006
173 2HB LEU 23 HB1 LEU 23 49.169 -8.049 1.916
174 HG LEU 23 HG LEU 23 49.726 -5.338 1.061
175 1HD1 LEU 23 HD11 LEU 23 50.966 -7.385 -0.757
176 2HD1 LEU 23 HD12 LEU 23 51.931 -6.589 0.487
177 3HD1 LEU 23 HD13 LEU 23 51.148 -5.630 -0.770
178 1HD2 LEU 23 HD21 LEU 23 47.703 -6.699 0.552
179 2HD2 LEU 23 HD22 LEU 23 48.692 -7.743 -0.468
180 3HD2 LEU 23 HD23 LEU 23 48.465 -6.047 -0.899
181 H ILE 24 HN ILE 24 50.856 -5.605 5.372
182 HA ILE 24 HA ILE 24 52.922 -4.088 3.823
183 HB ILE 24 HB ILE 24 51.857 -3.429 6.585
184 1HG1 ILE 24 HG12 ILE 24 50.091 -3.025 4.971
185 2HG1 ILE 24 HG11 ILE 24 50.808 -1.469 5.382
186 1HG2 ILE 24 HG21 ILE 24 53.887 -2.236 4.727
187 2HG2 ILE 24 HG22 ILE 24 53.987 -2.496 6.470
188 3HG2 ILE 24 HG23 ILE 24 52.995 -1.187 5.826
189 1HD1 ILE 24 HD11 ILE 24 50.799 -1.294 3.083
190 2HD1 ILE 24 HD12 ILE 24 51.007 -3.027 2.842
191 3HD1 ILE 24 HD13 ILE 24 52.382 -2.031 3.321
192 H ARG 25 HN ARG 25 54.997 -4.771 4.165
193 HA ARG 25 HA ARG 25 56.118 -5.509 6.676
194 1HB ARG 25 HB2 ARG 25 54.506 -7.505 6.183
195 2HB ARG 25 HB1 ARG 25 55.688 -7.940 4.945
196 1HG ARG 25 HG2 ARG 25 57.463 -7.945 6.692
197 2HG ARG 25 HG1 ARG 25 56.238 -7.628 7.915
198 1HD ARG 25 HD2 ARG 25 56.302 -10.035 6.066
199 2HD ARG 25 HD1 ARG 25 56.737 -10.040 7.775
200 HE ARG 25 HE ARG 25 54.015 -9.096 7.116
201 1HH1 ARG 25 HH21 ARG 25 56.152 -11.579 8.194
202 2HH1 ARG 25 HH22 ARG 25 54.902 -12.504 8.957
203 1HH2 ARG 25 HH11 ARG 25 52.374 -10.292 8.103
204 2HH2 ARG 25 HH12 ARG 25 52.763 -11.776 8.905
205 H CYS 26 HN CYS 26 58.412 -6.535 6.237
206 HA CYS 26 HA CYS 26 59.671 -5.189 4.045
207 1HB CYS 26 HB2 CYS 26 60.442 -6.927 6.256
208 2HB CYS 26 HB1 CYS 26 61.259 -7.386 4.776
209 H ILE 27 HN ILE 27 60.458 -6.239 2.072
210 HA ILE 27 HA ILE 27 58.609 -8.297 1.119
211 HB ILE 27 HB ILE 27 59.400 -7.776 -0.999
212 1HG1 ILE 27 HG12 ILE 27 61.992 -6.935 0.300
213 2HG1 ILE 27 HG11 ILE 27 61.732 -8.374 -0.659
214 1HG2 ILE 27 HG21 ILE 27 59.826 -5.302 -1.037
215 2HG2 ILE 27 HG22 ILE 27 59.854 -5.358 0.719
216 3HG2 ILE 27 HG23 ILE 27 58.392 -5.805 -0.149
217 1HD1 ILE 27 HD11 ILE 27 61.483 -5.542 -1.688
218 2HD1 ILE 27 HD12 ILE 27 61.176 -7.005 -2.624
219 3HD1 ILE 27 HD13 ILE 27 62.801 -6.660 -2.034
220 H ASN 28 HN ASN 28 61.593 -8.277 2.695
221 HA ASN 28 HA ASN 28 62.091 -11.093 1.820
222 1HB ASN 28 HB2 ASN 28 64.261 -10.663 1.200
223 2HB ASN 28 HB1 ASN 28 63.643 -9.037 0.946
224 1HD2 ASN 28 HD21 ASN 28 65.022 -7.523 1.867
225 2HD2 ASN 28 HD22 ASN 28 65.881 -7.733 3.317
226 H CYS 29 HN CYS 29 62.925 -8.579 4.206
227 HA CYS 29 HA CYS 29 63.922 -10.400 6.181
228 1HB CYS 29 HB2 CYS 29 62.623 -7.705 6.651
229 2HB CYS 29 HB1 CYS 29 63.858 -8.488 7.645
230 H GLN 30 HN GLN 30 60.780 -9.063 5.474
231 HA GLN 30 HA GLN 30 58.637 -9.622 6.134
232 1HB GLN 30 HB2 GLN 30 59.840 -12.260 6.957
233 2HB GLN 30 HB1 GLN 30 58.158 -11.935 6.513
234 1HG GLN 30 HG2 GLN 30 60.593 -11.863 4.746
235 2HG GLN 30 HG1 GLN 30 59.128 -12.798 4.555
236 1HE2 GLN 30 HE21 GLN 30 60.668 -10.107 3.414
237 2HE2 GLN 30 HE22 GLN 30 59.331 -9.235 2.847
238 H LYS 31 HN LYS 31 60.020 -8.162 8.043
239 HA LYS 31 HA LYS 31 59.124 -9.426 10.601
240 1HB LYS 31 HB2 LYS 31 60.442 -7.158 11.363
241 2HB LYS 31 HB1 LYS 31 61.238 -8.722 11.183
242 1HG LYS 31 HG2 LYS 31 62.165 -8.162 9.119
243 2HG LYS 31 HG1 LYS 31 60.935 -6.943 8.785
244 1HD LYS 31 HD2 LYS 31 62.991 -5.785 9.311
245 2HD LYS 31 HD1 LYS 31 61.887 -5.571 10.670
246 1HE LYS 31 HE2 LYS 31 64.106 -6.151 11.515
247 2HE LYS 31 HE1 LYS 31 62.991 -7.483 11.828
248 1HZ LYS 31 HZ1 LYS 31 65.377 -7.559 10.404
249 2HZ LYS 31 HZ2 LYS 31 64.132 -7.793 9.274
250 3HZ LYS 31 HZ3 LYS 31 64.260 -8.816 10.623
251 HA PRO 32 HA PRO 32 55.723 -6.616 10.897
252 1HB PRO 32 HB2 PRO 32 56.432 -5.101 13.190
253 2HB PRO 32 HB1 PRO 32 55.441 -6.572 13.175
254 1HG PRO 32 HG2 PRO 32 58.319 -6.237 13.782
255 2HG PRO 32 HG1 PRO 32 57.152 -7.391 14.451
256 1HD PRO 32 HD2 PRO 32 59.014 -8.167 12.666
257 2HD PRO 32 HD1 PRO 32 57.371 -8.854 12.630
258 H LEU 33 HN LEU 33 55.361 -4.489 10.007
259 HA LEU 33 HA LEU 33 57.890 -3.082 9.326
260 1HB LEU 33 HB2 LEU 33 55.786 -3.704 7.736
261 2HB LEU 33 HB1 LEU 33 55.252 -2.131 8.327
262 HG LEU 33 HG LEU 33 57.476 -1.195 7.642
263 1HD1 LEU 33 HD11 LEU 33 58.555 -2.726 5.788
264 2HD1 LEU 33 HD12 LEU 33 57.730 -4.028 6.644
265 3HD1 LEU 33 HD13 LEU 33 58.933 -3.060 7.484
266 1HD2 LEU 33 HD21 LEU 33 55.915 -2.549 5.428
267 2HD2 LEU 33 HD22 LEU 33 57.006 -1.182 5.220
268 3HD2 LEU 33 HD23 LEU 33 55.508 -0.982 6.137
269 H SER 34 HN SER 34 58.493 -1.324 10.278
270 HA SER 34 HA SER 34 57.128 -0.383 12.580
271 1HB SER 34 HB2 SER 34 58.844 1.281 12.719
272 2HB SER 34 HB1 SER 34 59.629 -0.141 12.041
273 HG SER 34 HG SER 34 58.774 1.013 9.961
274 HA PRO 35 HA PRO 35 54.214 1.782 10.015
275 1HB PRO 35 HB2 PRO 35 53.069 3.199 12.166
276 2HB PRO 35 HB1 PRO 35 52.476 1.692 11.453
277 1HG PRO 35 HG2 PRO 35 53.910 2.125 13.952
278 2HG PRO 35 HG1 PRO 35 52.902 0.766 13.442
279 1HD PRO 35 HD2 PRO 35 55.674 0.719 13.626
280 2HD PRO 35 HD1 PRO 35 54.695 -0.432 12.688
281 H GLU 36 HN GLU 36 56.621 2.839 12.140
282 HA GLU 36 HA GLU 36 56.375 5.706 11.744
283 1HB GLU 36 HB2 GLU 36 58.776 4.002 12.479
284 2HB GLU 36 HB1 GLU 36 58.735 5.765 12.550
285 1HG GLU 36 HG2 GLU 36 56.821 5.634 14.124
286 2HG GLU 36 HG1 GLU 36 56.942 3.877 14.100
287 H GLU 37 HN GLU 37 58.288 3.152 10.125
288 HA GLU 37 HA GLU 37 59.368 5.084 8.203
289 1HB GLU 37 HB2 GLU 37 59.343 2.056 8.244
290 2HB GLU 37 HB1 GLU 37 60.165 3.025 7.019
291 1HG GLU 37 HG2 GLU 37 60.699 3.134 10.002
292 2HG GLU 37 HG1 GLU 37 61.723 2.332 8.810
293 H LYS 38 HN LYS 38 56.739 2.844 8.483
294 HA LYS 38 HA LYS 38 55.766 2.836 5.819
295 1HB LYS 38 HB2 LYS 38 55.025 1.464 7.940
296 2HB LYS 38 HB1 LYS 38 54.001 2.862 8.254
297 1HG LYS 38 HG2 LYS 38 53.133 2.589 5.875
298 2HG LYS 38 HG1 LYS 38 53.922 1.006 5.897
299 1HD LYS 38 HD2 LYS 38 51.935 1.919 7.994
300 2HD LYS 38 HD1 LYS 38 51.504 0.933 6.597
301 1HE LYS 38 HE2 LYS 38 53.746 -0.339 7.698
302 2HE LYS 38 HE1 LYS 38 52.765 0.128 9.087
303 1HZ LYS 38 HZ1 LYS 38 52.349 -2.045 7.511
304 2HZ LYS 38 HZ2 LYS 38 51.205 -0.931 6.932
305 3HZ LYS 38 HZ3 LYS 38 51.218 -1.363 8.574
306 H GLN 39 HN GLN 39 55.457 4.899 8.608
307 HA GLN 39 HA GLN 39 53.518 6.705 7.663
308 1HB GLN 39 HB2 GLN 39 54.412 6.651 10.011
309 2HB GLN 39 HB1 GLN 39 55.911 7.354 9.409
310 1HG GLN 39 HG2 GLN 39 54.469 9.123 10.276
311 2HG GLN 39 HG1 GLN 39 54.630 9.283 8.522
312 1HE2 GLN 39 HE21 GLN 39 52.914 8.547 7.210
313 2HE2 GLN 39 HE22 GLN 39 51.343 8.357 7.792
314 H ARG 40 HN ARG 40 57.016 6.556 7.175
315 HA ARG 40 HA ARG 40 57.250 9.010 5.781
316 1HB ARG 40 HB2 ARG 40 59.169 7.599 6.593
317 2HB ARG 40 HB1 ARG 40 58.847 6.496 5.258
318 1HG ARG 40 HG2 ARG 40 60.568 7.940 4.472
319 2HG ARG 40 HG1 ARG 40 59.093 8.534 3.714
320 1HD ARG 40 HD2 ARG 40 58.899 10.257 5.502
321 2HD ARG 40 HD1 ARG 40 60.403 9.671 6.204
322 HE ARG 40 HE ARG 40 60.571 10.483 3.381
323 1HH1 ARG 40 HH21 ARG 40 60.885 11.264 6.724
324 2HH1 ARG 40 HH22 ARG 40 61.945 12.606 6.447
325 1HH2 ARG 40 HH11 ARG 40 61.952 12.235 3.000
326 2HH2 ARG 40 HH12 ARG 40 62.548 13.157 4.340
327 H HIS 41 HN HIS 41 56.364 5.723 4.668
328 HA HIS 41 HA HIS 41 56.339 6.395 1.863
329 1HB HIS 41 HB2 HIS 41 54.338 4.486 3.132
330 2HB HIS 41 HB1 HIS 41 54.899 4.510 1.473
331 HD1 HIS 41 HD1 HIS 41 57.978 4.792 2.100
332 HD2 HIS 41 HD2 HIS 41 55.410 2.010 3.838
333 HE1 HIS 41 HE1 HIS 41 59.428 2.858 2.882
334 H LEU 42 HN LEU 42 53.914 6.638 4.419
335 HA LEU 42 HA LEU 42 51.857 7.865 2.822
336 1HB LEU 42 HB2 LEU 42 52.431 8.185 5.780
337 2HB LEU 42 HB1 LEU 42 50.912 8.577 4.996
338 HG LEU 42 HG LEU 42 52.126 5.788 5.110
339 1HD1 LEU 42 HD11 LEU 42 50.029 7.186 6.780
340 2HD1 LEU 42 HD12 LEU 42 51.426 6.260 7.332
341 3HD1 LEU 42 HD13 LEU 42 50.048 5.431 6.616
342 1HD2 LEU 42 HD21 LEU 42 50.492 5.171 3.672
343 2HD2 LEU 42 HD22 LEU 42 50.131 6.877 3.424
344 3HD2 LEU 42 HD23 LEU 42 49.265 5.965 4.648
345 H ASP 43 HN ASP 43 54.706 9.034 4.508
346 HA ASP 43 HA ASP 43 54.187 11.790 4.528
347 1HB ASP 43 HB2 ASP 43 56.137 10.767 5.653
348 2HB ASP 43 HB1 ASP 43 56.899 10.553 4.075
349 H LYS 44 HN LYS 44 55.111 9.747 1.924
350 HA LYS 44 HA LYS 44 54.420 10.445 -0.339
351 1HB LYS 44 HB2 LYS 44 55.518 13.181 0.391
352 2HB LYS 44 HB1 LYS 44 54.879 12.707 -1.167
353 1HG LYS 44 HG2 LYS 44 53.211 12.728 1.385
354 2HG LYS 44 HG1 LYS 44 53.224 14.000 0.183
355 1HD LYS 44 HD2 LYS 44 52.531 12.290 -1.512
356 2HD LYS 44 HD1 LYS 44 52.378 11.131 -0.190
357 1HE LYS 44 HE2 LYS 44 51.032 13.634 0.443
358 2HE LYS 44 HE1 LYS 44 50.405 12.924 -1.045
359 1HZ LYS 44 HZ1 LYS 44 49.440 12.187 1.216
360 2HZ LYS 44 HZ2 LYS 44 50.839 11.230 1.321
361 3HZ LYS 44 HZ3 LYS 44 49.755 11.015 0.031
362 H LYS 45 HN LYS 45 56.019 8.835 -0.489
363 HA LYS 45 HA LYS 45 58.812 9.761 -0.826
364 1HB LYS 45 HB2 LYS 45 57.594 7.013 -1.051
365 2HB LYS 45 HB1 LYS 45 59.282 7.361 -1.421
366 1HG LYS 45 HG2 LYS 45 59.545 8.306 0.866
367 2HG LYS 45 HG1 LYS 45 57.891 7.791 1.232
368 1HD LYS 45 HD2 LYS 45 58.501 5.463 0.654
369 2HD LYS 45 HD1 LYS 45 60.152 5.992 0.337
370 1HE LYS 45 HE2 LYS 45 58.827 6.506 2.997
371 2HE LYS 45 HE1 LYS 45 59.652 4.989 2.664
372 1HZ LYS 45 HZ1 LYS 45 61.161 6.543 3.683
373 2HZ LYS 45 HZ2 LYS 45 60.850 7.695 2.473
374 3HZ LYS 45 HZ3 LYS 45 61.642 6.242 2.084
375 H GLN 46 HN GLN 46 59.999 9.362 -2.778
376 HA GLN 46 HA GLN 46 58.730 10.382 -5.078
377 1HB GLN 46 HB2 GLN 46 61.197 8.629 -4.845
378 2HB GLN 46 HB1 GLN 46 60.760 9.575 -6.271
379 1HG GLN 46 HG2 GLN 46 60.854 11.642 -4.946
380 2HG GLN 46 HG1 GLN 46 61.262 10.710 -3.505
381 1HE2 GLN 46 HE21 GLN 46 63.230 12.287 -3.719
382 2HE2 GLN 46 HE22 GLN 46 64.551 11.721 -4.628
383 H ARG 47 HN ARG 47 59.323 7.011 -4.047
384 HA ARG 47 HA ARG 47 57.139 6.157 -5.830
385 1HB ARG 47 HB2 ARG 47 59.947 5.053 -6.099
386 2HB ARG 47 HB1 ARG 47 58.524 4.356 -6.860
387 1HG ARG 47 HG2 ARG 47 59.481 7.192 -7.349
388 2HG ARG 47 HG1 ARG 47 59.883 5.827 -8.379
389 1HD ARG 47 HD2 ARG 47 57.430 5.427 -8.721
390 2HD ARG 47 HD1 ARG 47 57.105 6.912 -7.830
391 HE ARG 47 HE ARG 47 57.929 6.785 -10.570
392 1HH1 ARG 47 HH21 ARG 47 58.409 8.473 -7.600
393 2HH1 ARG 47 HH22 ARG 47 58.894 9.948 -8.365
394 1HH2 ARG 47 HH11 ARG 47 58.560 8.701 -11.583
395 2HH2 ARG 47 HH12 ARG 47 58.978 10.078 -10.620
396 H PHE 48 HN PHE 48 55.910 4.838 -4.568
397 HA PHE 48 HA PHE 48 57.321 2.973 -2.694
398 1HB PHE 48 HB2 PHE 48 55.573 4.732 -1.757
399 2HB PHE 48 HB1 PHE 48 54.380 3.674 -2.496
400 HD1 PHE 48 HD1 PHE 48 53.277 2.524 -0.811
401 HD2 PHE 48 HD2 PHE 48 57.558 2.892 -0.620
402 HE1 PHE 48 HE1 PHE 48 53.328 1.002 1.145
403 HE2 PHE 48 HE2 PHE 48 57.598 1.362 1.322
404 HZ PHE 48 HZ PHE 48 55.493 0.415 2.206
405 H HIS 49 HN HIS 49 57.007 0.733 -3.356
406 HA HIS 49 HA HIS 49 55.365 0.526 -5.839
407 1HB HIS 49 HB2 HIS 49 57.680 -1.133 -4.874
408 2HB HIS 49 HB1 HIS 49 56.805 -1.423 -6.374
409 HD1 HIS 49 HD1 HIS 49 56.909 0.571 -8.174
410 HD2 HIS 49 HD2 HIS 49 59.604 0.876 -5.011
411 HE1 HIS 49 HE1 HIS 49 58.628 2.295 -8.865
412 H ASN 50 HN ASN 50 53.801 -0.937 -6.149
413 HA ASN 50 HA ASN 50 53.085 -2.706 -3.860
414 1HB ASN 50 HB2 ASN 50 51.356 -1.034 -4.435
415 2HB ASN 50 HB1 ASN 50 51.299 -1.666 -6.073
416 1HD2 ASN 50 HD21 ASN 50 51.072 -2.916 -2.708
417 2HD2 ASN 50 HD22 ASN 50 49.852 -4.042 -3.046
418 H ILE 51 HN ILE 51 53.265 -4.820 -4.155
419 HA ILE 51 HA ILE 51 53.309 -5.907 -6.942
420 HB ILE 51 HB ILE 51 54.463 -7.176 -4.430
421 1HG1 ILE 51 HG12 ILE 51 55.801 -5.237 -4.847
422 2HG1 ILE 51 HG11 ILE 51 56.678 -6.584 -5.575
423 1HG2 ILE 51 HG21 ILE 51 54.665 -7.820 -7.386
424 2HG2 ILE 51 HG22 ILE 51 53.893 -8.800 -6.140
425 3HG2 ILE 51 HG23 ILE 51 55.644 -8.593 -6.141
426 1HD1 ILE 51 HD11 ILE 51 55.402 -5.983 -7.745
427 2HD1 ILE 51 HD12 ILE 51 56.716 -4.919 -7.250
428 3HD1 ILE 51 HD13 ILE 51 55.044 -4.452 -6.948
429 H ARG 52 HN ARG 52 51.685 -7.490 -7.357
430 HA ARG 52 HA ARG 52 49.432 -7.500 -5.638
431 1HB ARG 52 HB2 ARG 52 49.407 -8.163 -8.056
432 2HB ARG 52 HB1 ARG 52 50.184 -9.681 -7.606
433 1HG ARG 52 HG2 ARG 52 48.295 -10.242 -6.143
434 2HG ARG 52 HG1 ARG 52 47.523 -8.704 -6.529
435 1HD ARG 52 HD2 ARG 52 46.512 -10.396 -7.926
436 2HD ARG 52 HD1 ARG 52 47.537 -9.395 -8.955
437 HE ARG 52 HE ARG 52 49.219 -11.448 -8.214
438 1HH1 ARG 52 HH21 ARG 52 46.028 -11.233 -9.503
439 2HH1 ARG 52 HH22 ARG 52 46.144 -12.714 -10.393
440 1HH2 ARG 52 HH11 ARG 52 49.390 -13.381 -9.371
441 2HH2 ARG 52 HH12 ARG 52 48.048 -13.931 -10.318
442 H GLY 53 HN GLY 53 49.214 -8.379 -3.701
443 1HA GLY 53 HA2 GLY 53 49.140 -10.203 -2.154
444 2HA GLY 53 HA1 GLY 53 50.336 -11.054 -3.134
445 H ARG 54 HN ARG 54 51.931 -8.440 -3.244
446 HA ARG 54 HA ARG 54 52.927 -8.382 -0.434
447 1HB ARG 54 HB2 ARG 54 54.231 -10.047 -1.777
448 2HB ARG 54 HB1 ARG 54 54.701 -8.740 -2.865
449 1HG ARG 54 HG2 ARG 54 55.696 -7.532 -0.924
450 2HG ARG 54 HG1 ARG 54 55.310 -8.918 0.098
451 1HD ARG 54 HD2 ARG 54 57.088 -8.983 -2.359
452 2HD ARG 54 HD1 ARG 54 57.644 -9.033 -0.688
453 HE ARG 54 HE ARG 54 55.741 -11.148 -1.255
454 1HH1 ARG 54 HH21 ARG 54 59.014 -10.091 -1.515
455 2HH1 ARG 54 HH22 ARG 54 59.665 -11.694 -1.588
456 1HH2 ARG 54 HH11 ARG 54 56.575 -13.248 -1.354
457 2HH2 ARG 54 HH12 ARG 54 58.286 -13.480 -1.498
458 H TRP 55 HN TRP 55 53.816 -6.361 0.181
459 HA TRP 55 HA TRP 55 53.660 -4.232 -1.916
460 1HB TRP 55 HB2 TRP 55 52.499 -4.310 0.658
461 2HB TRP 55 HB1 TRP 55 53.850 -3.181 0.789
462 HD1 TRP 55 HD1 TRP 55 50.382 -3.468 -0.534
463 HE1 TRP 55 HE1 TRP 55 49.797 -1.411 -1.984
464 HE3 TRP 55 HE3 TRP 55 54.978 -1.308 -0.880
465 HZ2 TRP 55 HZ2 TRP 55 51.150 0.857 -3.151
466 HZ3 TRP 55 HZ3 TRP 55 55.274 0.812 -2.097
467 HH2 TRP 55 HH2 TRP 55 53.405 1.868 -3.249
468 H THR 56 HN THR 56 55.542 -2.917 -2.236
469 HA THR 56 HA THR 56 57.879 -3.770 -0.581
470 HB THR 56 HB THR 56 59.272 -3.835 -2.531
471 HG1 THR 56 HG1 THR 56 57.015 -3.053 -4.034
472 1HG2 THR 56 HG21 THR 56 58.159 -5.900 -2.330
473 2HG2 THR 56 HG22 THR 56 57.872 -5.444 -4.008
474 3HG2 THR 56 HG23 THR 56 56.607 -5.211 -2.802
475 H GLY 57 HN GLY 57 59.687 -2.305 -0.561
476 1HA GLY 57 HA2 GLY 57 60.066 0.211 -1.463
477 2HA GLY 57 HA1 GLY 57 58.802 0.481 -0.261
478 H ARG 58 HN ARG 58 59.298 -0.661 1.931
479 HA ARG 58 HA ARG 58 61.614 0.432 3.113
480 1HB ARG 58 HB2 ARG 58 59.703 -0.360 4.383
481 2HB ARG 58 HB1 ARG 58 60.084 -2.017 3.930
482 1HG ARG 58 HG2 ARG 58 62.303 -1.818 4.984
483 2HG ARG 58 HG1 ARG 58 61.936 -0.196 5.516
484 1HD ARG 58 HD2 ARG 58 60.576 -2.772 6.247
485 2HD ARG 58 HD1 ARG 58 61.559 -1.777 7.311
486 HE ARG 58 HE ARG 58 58.941 -1.460 7.460
487 1HH1 ARG 58 HH21 ARG 58 61.187 0.666 5.893
488 2HH1 ARG 58 HH22 ARG 58 60.054 1.953 5.779
489 1HH2 ARG 58 HH11 ARG 58 57.497 0.268 7.316
490 2HH2 ARG 58 HH12 ARG 58 58.016 1.746 6.592
491 H CYS 59 HN CYS 59 61.083 -2.868 2.011
492 HA CYS 59 HA CYS 59 63.567 -3.787 2.990
493 1HB CYS 59 HB2 CYS 59 61.448 -5.019 2.106
494 2HB CYS 59 HB1 CYS 59 62.348 -5.008 0.592
495 H MET 60 HN MET 60 62.677 -2.102 0.097
496 HA MET 60 HA MET 60 64.966 -2.712 -1.496
497 1HB MET 60 HB2 MET 60 63.419 -0.106 -1.251
498 2HB MET 60 HB1 MET 60 64.595 -0.453 -2.520
499 1HG MET 60 HG2 MET 60 63.240 -2.440 -3.180
500 2HG MET 60 HG1 MET 60 62.035 -1.980 -1.978
501 1HE MET 60 HE1 MET 60 60.000 -1.694 -3.723
502 2HE MET 60 HE2 MET 60 61.212 -2.543 -4.679
503 3HE MET 60 HE3 MET 60 60.357 -1.168 -5.373
504 H SER 61 HN SER 61 64.442 -0.475 1.186
505 HA SER 61 HA SER 61 67.023 0.789 1.081
506 1HB SER 61 HB2 SER 61 66.538 1.541 3.334
507 2HB SER 61 HB1 SER 61 65.042 1.618 2.407
508 HG SER 61 HG SER 61 65.559 -0.799 3.639
509 H CYS 62 HN CYS 62 65.830 -2.257 2.375
510 HA CYS 62 HA CYS 62 68.041 -2.874 4.080
511 1HB CYS 62 HB2 CYS 62 66.302 -4.804 2.486
512 2HB CYS 62 HB1 CYS 62 67.361 -5.228 3.823
513 H SER 63 HN SER 63 67.608 -2.965 0.622
514 HA SER 63 HA SER 63 69.760 -4.710 -0.064
515 1HB SER 63 HB2 SER 63 69.665 -3.693 -2.262
516 2HB SER 63 HB1 SER 63 68.018 -3.826 -1.652
517 HG SER 63 HG SER 63 68.467 -1.752 -2.523
518 H ARG 64 HN ARG 64 69.713 -1.386 1.023
519 HA ARG 64 HA ARG 64 72.255 -0.518 0.121
520 1HB ARG 64 HB2 ARG 64 70.817 0.107 2.719
521 2HB ARG 64 HB1 ARG 64 72.208 0.999 2.104
522 1HG ARG 64 HG2 ARG 64 70.930 1.531 0.042
523 2HG ARG 64 HG1 ARG 64 69.530 0.696 0.716
524 1HD ARG 64 HD2 ARG 64 69.259 3.057 1.161
525 2HD ARG 64 HD1 ARG 64 69.644 2.263 2.688
526 HE ARG 64 HE ARG 64 71.785 3.325 2.662
527 1HH1 ARG 64 HH21 ARG 64 69.951 3.804 -0.217
528 2HH1 ARG 64 HH22 ARG 64 70.982 5.057 -0.824
529 1HH2 ARG 64 HH11 ARG 64 73.143 4.954 1.886
530 2HH2 ARG 64 HH12 ARG 64 72.789 5.707 0.367
531 H SER 65 HN SER 65 71.355 -2.551 2.873
532 HA SER 65 HA SER 65 73.897 -2.575 4.173
533 1HB SER 65 HB2 SER 65 73.110 -4.576 5.293
534 2HB SER 65 HB1 SER 65 71.745 -3.475 5.125
535 HG SER 65 HG SER 65 72.391 -5.716 3.503
536 H SER 66 HN SER 66 72.697 -4.212 1.325
537 HA SER 66 HA SER 66 74.626 -6.308 1.169
538 1HB SER 66 HB2 SER 66 74.032 -6.448 -1.176
539 2HB SER 66 HB1 SER 66 72.568 -6.098 -0.263
540 HG SER 66 HG SER 66 73.462 -4.753 -2.267
541 H ARG 67 HN ARG 67 74.832 -2.883 0.471
542 HA ARG 67 HA ARG 67 77.532 -3.281 -0.722
543 1HB ARG 67 HB2 ARG 67 75.753 -0.827 -0.596
544 2HB ARG 67 HB1 ARG 67 77.353 -0.869 -1.337
545 1HG ARG 67 HG2 ARG 67 76.546 -2.695 -2.851
546 2HG ARG 67 HG1 ARG 67 74.930 -2.492 -2.173
547 1HD ARG 67 HD2 ARG 67 76.538 -0.381 -3.641
548 2HD ARG 67 HD1 ARG 67 75.102 -1.210 -4.245
549 HE ARG 67 HE ARG 67 74.090 -0.095 -2.011
550 1HH1 ARG 67 HH21 ARG 67 76.260 1.116 -4.400
551 2HH1 ARG 67 HH22 ARG 67 75.766 2.765 -4.208
552 1HH2 ARG 67 HH11 ARG 67 73.431 2.055 -1.745
553 2HH2 ARG 67 HH12 ARG 67 74.164 3.297 -2.705
Start of MODEL 7
1 H ALA 1 HT1 ALA 1 56.844 -5.755 -7.632
2 HA ALA 1 HA ALA 1 55.469 -4.037 -6.625
3 1HB ALA 1 HB1 ALA 1 57.599 -2.254 -7.275
4 2HB ALA 1 HB2 ALA 1 58.262 -3.887 -7.272
5 3HB ALA 1 HB3 ALA 1 57.440 -3.270 -5.841
6 H MET 2 HN MET 2 56.536 -3.414 -9.889
7 HA MET 2 HA MET 2 55.495 -0.811 -10.269
8 1HB MET 2 HB2 MET 2 55.835 -3.094 -12.229
9 2HB MET 2 HB1 MET 2 55.466 -1.434 -12.695
10 1HG MET 2 HG2 MET 2 57.543 -0.697 -11.497
11 2HG MET 2 HG1 MET 2 57.934 -2.394 -11.219
12 1HE MET 2 HE1 MET 2 57.940 0.008 -15.084
13 2HE MET 2 HE2 MET 2 57.377 0.460 -13.477
14 3HE MET 2 HE3 MET 2 56.364 -0.549 -14.505
15 H SER 3 HN SER 3 53.821 -3.946 -10.336
16 HA SER 3 HA SER 3 51.552 -3.208 -11.802
17 1HB SER 3 HB2 SER 3 51.549 -4.880 -9.274
18 2HB SER 3 HB1 SER 3 50.333 -4.913 -10.549
19 HG SER 3 HG SER 3 51.678 -5.986 -11.815
20 H TYR 4 HN TYR 4 52.122 -2.591 -8.277
21 HA TYR 4 HA TYR 4 50.228 -0.350 -8.617
22 1HB TYR 4 HB2 TYR 4 48.838 -2.290 -7.879
23 2HB TYR 4 HB1 TYR 4 49.797 -2.370 -6.405
24 HD1 TYR 4 HD1 TYR 4 49.564 -0.666 -4.658
25 HD2 TYR 4 HD2 TYR 4 47.462 -0.339 -8.384
26 HE1 TYR 4 HE1 TYR 4 48.170 1.136 -3.707
27 HE2 TYR 4 HE2 TYR 4 46.064 1.470 -7.436
28 HH TYR 4 HH TYR 4 46.524 3.263 -5.376
29 H SER 5 HN SER 5 50.792 1.412 -7.309
30 HA SER 5 HA SER 5 52.571 0.948 -5.010
31 1HB SER 5 HB2 SER 5 54.380 2.320 -5.839
32 2HB SER 5 HB1 SER 5 54.061 1.023 -6.982
33 HG SER 5 HG SER 5 54.281 3.290 -7.797
34 H LEU 6 HN LEU 6 52.996 2.950 -3.780
35 HA LEU 6 HA LEU 6 50.775 4.921 -4.183
36 1HB LEU 6 HB2 LEU 6 52.294 4.235 -1.651
37 2HB LEU 6 HB1 LEU 6 50.942 5.362 -1.774
38 HG LEU 6 HG LEU 6 50.841 2.398 -2.404
39 1HD1 LEU 6 HD11 LEU 6 50.710 3.732 0.066
40 2HD1 LEU 6 HD12 LEU 6 50.211 2.074 -0.263
41 3HD1 LEU 6 HD13 LEU 6 49.034 3.382 -0.357
42 1HD2 LEU 6 HD21 LEU 6 49.168 3.169 -3.769
43 2HD2 LEU 6 HD22 LEU 6 49.004 4.684 -2.881
44 3HD2 LEU 6 HD23 LEU 6 48.266 3.210 -2.254
45 H TYR 7 HN TYR 7 51.353 7.078 -4.461
46 HA TYR 7 HA TYR 7 54.249 7.695 -4.119
47 1HB TYR 7 HB2 TYR 7 53.581 7.497 -6.522
48 2HB TYR 7 HB1 TYR 7 52.461 8.840 -6.276
49 HD1 TYR 7 HD1 TYR 7 53.243 11.105 -6.139
50 HD2 TYR 7 HD2 TYR 7 56.032 7.840 -6.152
51 HE1 TYR 7 HE1 TYR 7 55.120 12.707 -6.403
52 HE2 TYR 7 HE2 TYR 7 57.907 9.437 -6.419
53 HH TYR 7 HH TYR 7 57.323 12.954 -6.519
54 H GLY 8 HN GLY 8 51.257 8.362 -2.863
55 1HA GLY 8 HA2 GLY 8 51.006 10.090 -1.157
56 2HA GLY 8 HA1 GLY 8 52.223 11.049 -1.995
57 H THR 9 HN THR 9 50.214 9.672 -4.232
58 HA THR 9 HA THR 9 48.924 12.215 -4.848
59 HB THR 9 HB THR 9 48.007 11.081 -6.757
60 HG1 THR 9 HG1 THR 9 48.612 8.743 -5.284
61 1HG2 THR 9 HG21 THR 9 49.995 10.784 -7.776
62 2HG2 THR 9 HG22 THR 9 50.389 9.400 -6.757
63 3HG2 THR 9 HG23 THR 9 50.731 11.036 -6.194
64 H THR 10 HN THR 10 46.390 12.125 -5.099
65 HA THR 10 HA THR 10 45.298 11.647 -2.537
66 HB THR 10 HB THR 10 43.110 11.932 -3.575
67 HG1 THR 10 HG1 THR 10 43.826 10.496 -5.395
68 1HG2 THR 10 HG21 THR 10 43.973 13.850 -5.320
69 2HG2 THR 10 HG22 THR 10 45.410 13.621 -4.324
70 3HG2 THR 10 HG23 THR 10 43.878 14.070 -3.573
71 H LEU 11 HN LEU 11 46.075 9.491 -5.085
72 HA LEU 11 HA LEU 11 44.248 7.367 -4.653
73 1HB LEU 11 HB2 LEU 11 47.158 7.238 -5.418
74 2HB LEU 11 HB1 LEU 11 45.969 5.960 -5.681
75 HG LEU 11 HG LEU 11 45.943 8.732 -6.911
76 1HD1 LEU 11 HD11 LEU 11 47.527 7.084 -7.908
77 2HD1 LEU 11 HD12 LEU 11 46.226 7.518 -9.018
78 3HD1 LEU 11 HD13 LEU 11 46.177 5.977 -8.161
79 1HD2 LEU 11 HD21 LEU 11 43.970 7.584 -8.201
80 2HD2 LEU 11 HD22 LEU 11 43.665 8.256 -6.599
81 3HD2 LEU 11 HD23 LEU 11 43.904 6.520 -6.796
82 H GLU 12 HN GLU 12 47.340 8.073 -3.105
83 HA GLU 12 HA GLU 12 47.482 5.672 -1.577
84 1HB GLU 12 HB2 GLU 12 49.410 7.181 -1.984
85 2HB GLU 12 HB1 GLU 12 48.686 8.359 -0.885
86 1HG GLU 12 HG2 GLU 12 48.695 6.657 0.918
87 2HG GLU 12 HG1 GLU 12 49.480 5.522 -0.174
88 H GLN 13 HN GLN 13 45.795 8.688 -0.966
89 HA GLN 13 HA GLN 13 45.548 8.513 1.825
90 1HB GLN 13 HB2 GLN 13 43.396 9.452 -0.091
91 2HB GLN 13 HB1 GLN 13 43.584 9.925 1.600
92 1HG GLN 13 HG2 GLN 13 45.434 10.535 -0.705
93 2HG GLN 13 HG1 GLN 13 44.562 11.687 0.307
94 1HE2 GLN 13 HE21 GLN 13 47.578 10.596 -0.216
95 2HE2 GLN 13 HE22 GLN 13 48.236 10.684 1.339
96 H GLN 14 HN GLN 14 43.545 6.883 -0.666
97 HA GLN 14 HA GLN 14 41.637 5.829 1.197
98 1HB GLN 14 HB2 GLN 14 42.629 4.688 -1.435
99 2HB GLN 14 HB1 GLN 14 41.212 4.105 -0.557
100 1HG GLN 14 HG2 GLN 14 40.187 6.331 -0.713
101 2HG GLN 14 HG1 GLN 14 41.600 6.933 -1.574
102 1HE2 GLN 14 HE21 GLN 14 39.050 7.025 -2.825
103 2HE2 GLN 14 HE22 GLN 14 39.026 5.915 -4.110
104 H TYR 15 HN TYR 15 44.762 4.699 0.052
105 HA TYR 15 HA TYR 15 44.755 2.183 1.448
106 1HB TYR 15 HB2 TYR 15 46.982 3.913 0.350
107 2HB TYR 15 HB1 TYR 15 47.260 2.333 1.082
108 HD1 TYR 15 HD1 TYR 15 47.388 0.537 -0.357
109 HD2 TYR 15 HD2 TYR 15 44.911 3.874 -1.430
110 HE1 TYR 15 HE1 TYR 15 46.778 -0.609 -2.460
111 HE2 TYR 15 HE2 TYR 15 44.306 2.736 -3.551
112 HH TYR 15 HH TYR 15 44.833 -0.519 -4.104
113 H ASN 16 HN ASN 16 45.597 5.463 2.375
114 HA ASN 16 HA ASN 16 47.293 4.975 4.551
115 1HB ASN 16 HB2 ASN 16 46.597 7.218 3.612
116 2HB ASN 16 HB1 ASN 16 45.118 7.073 4.564
117 1HD2 ASN 16 HD21 ASN 16 46.568 9.202 5.334
118 2HD2 ASN 16 HD22 ASN 16 47.458 8.901 6.749
119 H LYS 17 HN LYS 17 43.709 4.844 4.589
120 HA LYS 17 HA LYS 17 43.603 4.468 7.431
121 1HB LYS 17 HB2 LYS 17 41.363 3.118 6.343
122 2HB LYS 17 HB1 LYS 17 41.421 4.715 7.062
123 1HG LYS 17 HG2 LYS 17 41.521 5.803 5.025
124 2HG LYS 17 HG1 LYS 17 42.285 4.450 4.203
125 1HD LYS 17 HD2 LYS 17 40.301 3.488 3.672
126 2HD LYS 17 HD1 LYS 17 39.604 3.847 5.252
127 1HE LYS 17 HE2 LYS 17 39.964 5.826 2.987
128 2HE LYS 17 HE1 LYS 17 38.438 5.090 3.479
129 1HZ LYS 17 HZ1 LYS 17 38.220 6.704 4.960
130 2HZ LYS 17 HZ2 LYS 17 39.747 7.338 4.568
131 3HZ LYS 17 HZ3 LYS 17 39.602 6.140 5.765
132 HA PRO 18 HA PRO 18 43.590 -0.225 6.735
133 1HB PRO 18 HB2 PRO 18 43.340 -1.324 4.310
134 2HB PRO 18 HB1 PRO 18 41.939 -0.586 5.116
135 1HG PRO 18 HG2 PRO 18 43.697 0.528 2.976
136 2HG PRO 18 HG1 PRO 18 41.930 0.578 3.123
137 1HD PRO 18 HD2 PRO 18 43.597 2.660 3.862
138 2HD PRO 18 HD1 PRO 18 41.969 2.386 4.505
139 H LEU 19 HN LEU 19 45.849 1.764 5.233
140 HA LEU 19 HA LEU 19 47.491 0.137 3.719
141 1HB LEU 19 HB2 LEU 19 48.032 2.512 4.268
142 2HB LEU 19 HB1 LEU 19 48.529 1.997 5.879
143 HG LEU 19 HG LEU 19 50.161 0.414 4.764
144 1HD1 LEU 19 HD11 LEU 19 49.076 1.886 2.371
145 2HD1 LEU 19 HD12 LEU 19 49.360 0.158 2.567
146 3HD1 LEU 19 HD13 LEU 19 50.723 1.258 2.358
147 1HD2 LEU 19 HD21 LEU 19 50.709 2.754 5.645
148 2HD2 LEU 19 HD22 LEU 19 50.599 3.303 3.973
149 3HD2 LEU 19 HD23 LEU 19 51.816 2.113 4.431
150 H SER 20 HN SER 20 47.520 0.222 7.335
151 HA SER 20 HA SER 20 49.477 -1.907 7.470
152 1HB SER 20 HB2 SER 20 48.836 -2.102 9.807
153 2HB SER 20 HB1 SER 20 48.863 -0.389 9.398
154 HG SER 20 HG SER 20 46.877 -1.711 10.421
155 H ASP 21 HN ASP 21 45.985 -1.704 7.260
156 HA ASP 21 HA ASP 21 45.362 -4.468 7.670
157 1HB ASP 21 HB2 ASP 21 43.909 -2.296 6.149
158 2HB ASP 21 HB1 ASP 21 43.223 -3.874 6.499
159 H LEU 22 HN LEU 22 46.163 -2.621 4.741
160 HA LEU 22 HA LEU 22 45.439 -4.577 2.832
161 1HB LEU 22 HB2 LEU 22 47.750 -2.622 2.675
162 2HB LEU 22 HB1 LEU 22 46.981 -3.429 1.309
163 HG LEU 22 HG LEU 22 45.706 -1.442 3.193
164 1HD1 LEU 22 HD11 LEU 22 46.906 -0.230 1.606
165 2HD1 LEU 22 HD12 LEU 22 45.296 -0.328 0.890
166 3HD1 LEU 22 HD13 LEU 22 46.582 -1.398 0.326
167 1HD2 LEU 22 HD21 LEU 22 44.547 -3.305 1.144
168 2HD2 LEU 22 HD22 LEU 22 43.769 -1.758 1.487
169 3HD2 LEU 22 HD23 LEU 22 43.967 -2.949 2.771
170 H LEU 23 HN LEU 23 48.445 -4.212 4.652
171 HA LEU 23 HA LEU 23 49.578 -6.374 5.286
172 1HB LEU 23 HB2 LEU 23 50.205 -7.932 3.531
173 2HB LEU 23 HB1 LEU 23 48.467 -7.702 3.465
174 HG LEU 23 HG LEU 23 49.383 -5.689 1.802
175 1HD1 LEU 23 HD11 LEU 23 51.262 -6.308 0.621
176 2HD1 LEU 23 HD12 LEU 23 50.982 -8.030 0.873
177 3HD1 LEU 23 HD13 LEU 23 51.665 -7.050 2.170
178 1HD2 LEU 23 HD21 LEU 23 49.081 -8.083 0.218
179 2HD2 LEU 23 HD22 LEU 23 47.968 -6.729 0.398
180 3HD2 LEU 23 HD23 LEU 23 47.887 -8.088 1.513
181 H ILE 24 HN ILE 24 51.382 -5.163 5.877
182 HA ILE 24 HA ILE 24 52.997 -4.056 3.606
183 HB ILE 24 HB ILE 24 52.933 -3.113 6.489
184 1HG1 ILE 24 HG12 ILE 24 50.776 -2.617 5.463
185 2HG1 ILE 24 HG11 ILE 24 51.721 -1.126 5.495
186 1HG2 ILE 24 HG21 ILE 24 53.852 -1.220 4.502
187 2HG2 ILE 24 HG22 ILE 24 54.797 -2.707 4.413
188 3HG2 ILE 24 HG23 ILE 24 54.686 -1.822 5.933
189 1HD1 ILE 24 HD11 ILE 24 50.992 -2.863 3.170
190 2HD1 ILE 24 HD12 ILE 24 52.515 -1.973 3.112
191 3HD1 ILE 24 HD13 ILE 24 50.994 -1.104 3.301
192 H ARG 25 HN ARG 25 54.943 -5.062 3.316
193 HA ARG 25 HA ARG 25 56.456 -6.050 5.645
194 1HB ARG 25 HB2 ARG 25 55.535 -7.905 3.446
195 2HB ARG 25 HB1 ARG 25 56.790 -8.298 4.611
196 1HG ARG 25 HG2 ARG 25 55.126 -7.913 6.446
197 2HG ARG 25 HG1 ARG 25 53.881 -7.716 5.204
198 1HD ARG 25 HD2 ARG 25 55.619 -10.160 5.625
199 2HD ARG 25 HD1 ARG 25 53.911 -10.048 5.960
200 HE ARG 25 HE ARG 25 54.448 -9.388 3.206
201 1HH1 ARG 25 HH21 ARG 25 54.158 -11.948 5.500
202 2HH1 ARG 25 HH22 ARG 25 53.688 -13.128 4.322
203 1HH2 ARG 25 HH11 ARG 25 53.837 -10.916 1.656
204 2HH2 ARG 25 HH12 ARG 25 53.506 -12.544 2.147
205 H CYS 26 HN CYS 26 58.536 -7.090 4.910
206 HA CYS 26 HA CYS 26 59.898 -5.442 2.889
207 1HB CYS 26 HB2 CYS 26 60.591 -6.907 5.227
208 2HB CYS 26 HB1 CYS 26 61.397 -7.686 3.897
209 H ILE 27 HN ILE 27 60.645 -6.424 0.893
210 HA ILE 27 HA ILE 27 59.061 -8.726 0.098
211 HB ILE 27 HB ILE 27 59.834 -8.318 -2.055
212 1HG1 ILE 27 HG12 ILE 27 62.227 -6.921 -0.882
213 2HG1 ILE 27 HG11 ILE 27 62.258 -8.535 -1.561
214 1HG2 ILE 27 HG21 ILE 27 58.715 -6.330 -0.843
215 2HG2 ILE 27 HG22 ILE 27 59.516 -6.013 -2.381
216 3HG2 ILE 27 HG23 ILE 27 60.320 -5.603 -0.866
217 1HD1 ILE 27 HD11 ILE 27 62.150 -5.911 -2.913
218 2HD1 ILE 27 HD12 ILE 27 61.110 -7.163 -3.596
219 3HD1 ILE 27 HD13 ILE 27 62.847 -7.435 -3.463
220 H ASN 28 HN ASN 28 62.117 -8.280 1.611
221 HA ASN 28 HA ASN 28 62.663 -11.191 1.173
222 1HB ASN 28 HB2 ASN 28 64.787 -10.885 0.374
223 2HB ASN 28 HB1 ASN 28 64.127 -9.342 -0.150
224 1HD2 ASN 28 HD21 ASN 28 65.283 -7.534 0.553
225 2HD2 ASN 28 HD22 ASN 28 66.343 -7.513 1.878
226 H CYS 29 HN CYS 29 61.769 -9.130 3.371
227 HA CYS 29 HA CYS 29 63.046 -10.573 5.574
228 1HB CYS 29 HB2 CYS 29 63.314 -7.642 5.912
229 2HB CYS 29 HB1 CYS 29 64.415 -8.935 6.396
230 H GLN 30 HN GLN 30 60.600 -10.806 5.107
231 HA GLN 30 HA GLN 30 58.492 -9.257 5.528
232 1HB GLN 30 HB2 GLN 30 58.874 -11.806 7.097
233 2HB GLN 30 HB1 GLN 30 57.340 -11.096 6.588
234 1HG GLN 30 HG2 GLN 30 59.537 -12.121 4.778
235 2HG GLN 30 HG1 GLN 30 57.961 -12.842 5.029
236 1HE2 GLN 30 HE21 GLN 30 59.628 -10.900 2.968
237 2HE2 GLN 30 HE22 GLN 30 58.366 -10.056 2.241
238 H LYS 31 HN LYS 31 61.002 -9.319 7.856
239 HA LYS 31 HA LYS 31 59.706 -9.015 10.298
240 1HB LYS 31 HB2 LYS 31 61.798 -7.078 9.248
241 2HB LYS 31 HB1 LYS 31 61.456 -7.445 10.939
242 1HG LYS 31 HG2 LYS 31 62.205 -9.739 10.649
243 2HG LYS 31 HG1 LYS 31 62.414 -9.488 8.916
244 1HD LYS 31 HD2 LYS 31 64.294 -8.123 9.206
245 2HD LYS 31 HD1 LYS 31 63.867 -7.725 10.871
246 1HE LYS 31 HE2 LYS 31 65.797 -9.451 10.410
247 2HE LYS 31 HE1 LYS 31 64.637 -9.767 11.699
248 1HZ LYS 31 HZ1 LYS 31 64.235 -11.675 10.665
249 2HZ LYS 31 HZ2 LYS 31 65.088 -11.204 9.272
250 3HZ LYS 31 HZ3 LYS 31 63.453 -10.777 9.458
251 HA PRO 32 HA PRO 32 56.461 -6.204 8.971
252 1HB PRO 32 HB2 PRO 32 56.385 -5.602 11.892
253 2HB PRO 32 HB1 PRO 32 55.062 -6.030 10.791
254 1HG PRO 32 HG2 PRO 32 56.081 -7.783 12.528
255 2HG PRO 32 HG1 PRO 32 55.484 -8.271 10.935
256 1HD PRO 32 HD2 PRO 32 58.285 -8.092 11.911
257 2HD PRO 32 HD1 PRO 32 57.592 -9.102 10.623
258 H LEU 33 HN LEU 33 56.222 -4.003 8.638
259 HA LEU 33 HA LEU 33 58.568 -2.336 9.183
260 1HB LEU 33 HB2 LEU 33 55.992 -1.871 7.682
261 2HB LEU 33 HB1 LEU 33 57.142 -0.570 7.986
262 HG LEU 33 HG LEU 33 58.908 -1.937 6.893
263 1HD1 LEU 33 HD11 LEU 33 56.576 -3.715 6.112
264 2HD1 LEU 33 HD12 LEU 33 57.888 -4.176 7.189
265 3HD1 LEU 33 HD13 LEU 33 58.220 -3.866 5.482
266 1HD2 LEU 33 HD21 LEU 33 58.274 -0.528 5.250
267 2HD2 LEU 33 HD22 LEU 33 56.560 -0.779 5.575
268 3HD2 LEU 33 HD23 LEU 33 57.445 -1.925 4.560
269 H SER 34 HN SER 34 58.721 -0.784 10.586
270 HA SER 34 HA SER 34 56.861 -0.695 12.785
271 1HB SER 34 HB2 SER 34 58.401 1.557 13.062
272 2HB SER 34 HB1 SER 34 58.903 -0.026 13.647
273 HG SER 34 HG SER 34 59.392 0.329 10.989
274 HA PRO 35 HA PRO 35 54.211 1.789 10.455
275 1HB PRO 35 HB2 PRO 35 53.569 3.443 12.758
276 2HB PRO 35 HB1 PRO 35 52.561 2.342 11.817
277 1HG PRO 35 HG2 PRO 35 53.538 1.888 14.381
278 2HG PRO 35 HG1 PRO 35 52.769 0.713 13.304
279 1HD PRO 35 HD2 PRO 35 55.563 0.889 14.077
280 2HD PRO 35 HD1 PRO 35 54.742 -0.376 13.138
281 H GLU 36 HN GLU 36 56.853 2.936 12.329
282 HA GLU 36 HA GLU 36 56.757 5.709 11.552
283 1HB GLU 36 HB2 GLU 36 59.094 3.943 12.326
284 2HB GLU 36 HB1 GLU 36 59.196 5.692 12.121
285 1HG GLU 36 HG2 GLU 36 57.364 4.260 14.070
286 2HG GLU 36 HG1 GLU 36 58.864 5.084 14.498
287 H GLU 37 HN GLU 37 58.377 2.829 10.021
288 HA GLU 37 HA GLU 37 59.393 4.512 7.857
289 1HB GLU 37 HB2 GLU 37 59.023 1.503 8.045
290 2HB GLU 37 HB1 GLU 37 59.836 2.331 6.715
291 1HG GLU 37 HG2 GLU 37 61.448 3.302 8.347
292 2HG GLU 37 HG1 GLU 37 60.672 2.373 9.629
293 H LYS 38 HN LYS 38 56.635 2.531 8.556
294 HA LYS 38 HA LYS 38 55.377 2.528 6.015
295 1HB LYS 38 HB2 LYS 38 54.799 1.256 8.246
296 2HB LYS 38 HB1 LYS 38 53.898 2.724 8.623
297 1HG LYS 38 HG2 LYS 38 52.794 2.457 6.351
298 2HG LYS 38 HG1 LYS 38 53.479 0.831 6.343
299 1HD LYS 38 HD2 LYS 38 51.753 1.910 8.588
300 2HD LYS 38 HD1 LYS 38 51.124 0.946 7.252
301 1HE LYS 38 HE2 LYS 38 52.976 0.121 9.468
302 2HE LYS 38 HE1 LYS 38 51.536 -0.695 8.861
303 1HZ LYS 38 HZ1 LYS 38 52.846 -0.986 6.731
304 2HZ LYS 38 HZ2 LYS 38 53.328 -1.931 8.058
305 3HZ LYS 38 HZ3 LYS 38 54.219 -0.550 7.625
306 H GLN 39 HN GLN 39 55.455 4.636 8.787
307 HA GLN 39 HA GLN 39 53.590 6.571 7.919
308 1HB GLN 39 HB2 GLN 39 54.538 6.438 10.241
309 2HB GLN 39 HB1 GLN 39 56.065 7.058 9.604
310 1HG GLN 39 HG2 GLN 39 54.746 8.915 10.489
311 2HG GLN 39 HG1 GLN 39 54.840 9.049 8.727
312 1HE2 GLN 39 HE21 GLN 39 53.009 8.381 7.488
313 2HE2 GLN 39 HE22 GLN 39 51.462 8.257 8.153
314 H ARG 40 HN ARG 40 57.046 6.155 7.301
315 HA ARG 40 HA ARG 40 57.453 8.622 5.952
316 1HB ARG 40 HB2 ARG 40 58.763 5.928 5.486
317 2HB ARG 40 HB1 ARG 40 59.340 7.452 4.814
318 1HG ARG 40 HG2 ARG 40 59.567 8.353 7.122
319 2HG ARG 40 HG1 ARG 40 59.079 6.781 7.760
320 1HD ARG 40 HD2 ARG 40 61.491 6.850 7.781
321 2HD ARG 40 HD1 ARG 40 61.005 5.764 6.479
322 HE ARG 40 HE ARG 40 61.313 8.433 5.458
323 1HH1 ARG 40 HH21 ARG 40 63.039 5.692 6.643
324 2HH1 ARG 40 HH22 ARG 40 64.460 6.016 5.709
325 1HH2 ARG 40 HH11 ARG 40 63.160 8.871 4.232
326 2HH2 ARG 40 HH12 ARG 40 64.529 7.815 4.344
327 H HIS 41 HN HIS 41 56.184 5.477 4.819
328 HA HIS 41 HA HIS 41 56.114 6.249 2.037
329 1HB HIS 41 HB2 HIS 41 54.135 4.346 3.318
330 2HB HIS 41 HB1 HIS 41 54.665 4.395 1.643
331 HD1 HIS 41 HD1 HIS 41 57.728 4.682 2.142
332 HD2 HIS 41 HD2 HIS 41 55.267 1.888 4.011
333 HE1 HIS 41 HE1 HIS 41 59.243 2.821 2.953
334 H LEU 42 HN LEU 42 53.760 6.472 4.654
335 HA LEU 42 HA LEU 42 51.707 7.779 3.120
336 1HB LEU 42 HB2 LEU 42 52.327 8.032 6.071
337 2HB LEU 42 HB1 LEU 42 50.787 8.397 5.302
338 HG LEU 42 HG LEU 42 52.126 5.679 5.452
339 1HD1 LEU 42 HD11 LEU 42 50.023 5.124 6.732
340 2HD1 LEU 42 HD12 LEU 42 49.643 6.847 6.738
341 3HD1 LEU 42 HD13 LEU 42 51.092 6.262 7.555
342 1HD2 LEU 42 HD21 LEU 42 49.634 5.180 4.545
343 2HD2 LEU 42 HD22 LEU 42 51.004 5.434 3.464
344 3HD2 LEU 42 HD23 LEU 42 49.892 6.761 3.808
345 H ASP 43 HN ASP 43 54.546 8.893 4.854
346 HA ASP 43 HA ASP 43 54.051 11.677 4.875
347 1HB ASP 43 HB2 ASP 43 56.664 10.170 4.695
348 2HB ASP 43 HB1 ASP 43 56.539 11.897 5.009
349 H LYS 44 HN LYS 44 55.398 9.546 2.467
350 HA LYS 44 HA LYS 44 54.798 10.254 0.098
351 1HB LYS 44 HB2 LYS 44 54.603 12.656 0.661
352 2HB LYS 44 HB1 LYS 44 56.345 12.727 0.945
353 1HG LYS 44 HG2 LYS 44 55.993 13.525 -1.274
354 2HG LYS 44 HG1 LYS 44 56.577 11.869 -1.465
355 1HD LYS 44 HD2 LYS 44 54.387 11.032 -1.847
356 2HD LYS 44 HD1 LYS 44 53.642 12.539 -1.314
357 1HE LYS 44 HE2 LYS 44 54.894 13.640 -3.278
358 2HE LYS 44 HE1 LYS 44 55.207 12.002 -3.851
359 1HZ LYS 44 HZ1 LYS 44 52.488 12.269 -3.148
360 2HZ LYS 44 HZ2 LYS 44 53.166 11.893 -4.658
361 3HZ LYS 44 HZ3 LYS 44 52.912 13.514 -4.220
362 H LYS 45 HN LYS 45 56.233 8.302 0.591
363 HA LYS 45 HA LYS 45 59.117 8.683 0.471
364 1HB LYS 45 HB2 LYS 45 58.056 6.603 1.373
365 2HB LYS 45 HB1 LYS 45 57.560 6.192 -0.272
366 1HG LYS 45 HG2 LYS 45 59.958 6.297 -0.964
367 2HG LYS 45 HG1 LYS 45 60.398 6.591 0.719
368 1HD LYS 45 HD2 LYS 45 59.280 4.444 1.348
369 2HD LYS 45 HD1 LYS 45 58.999 4.130 -0.365
370 1HE LYS 45 HE2 LYS 45 61.752 4.833 -0.028
371 2HE LYS 45 HE1 LYS 45 61.353 3.588 1.154
372 1HZ LYS 45 HZ1 LYS 45 61.464 2.120 -0.483
373 2HZ LYS 45 HZ2 LYS 45 61.676 3.341 -1.645
374 3HZ LYS 45 HZ3 LYS 45 60.112 2.849 -1.203
375 H GLN 46 HN GLN 46 60.442 8.638 -1.344
376 HA GLN 46 HA GLN 46 59.375 9.555 -3.792
377 1HB GLN 46 HB2 GLN 46 61.970 8.084 -3.253
378 2HB GLN 46 HB1 GLN 46 61.594 8.942 -4.749
379 1HG GLN 46 HG2 GLN 46 61.326 11.038 -3.509
380 2HG GLN 46 HG1 GLN 46 61.642 10.196 -1.990
381 1HE2 GLN 46 HE21 GLN 46 63.340 12.284 -2.642
382 2HE2 GLN 46 HE22 GLN 46 64.860 11.690 -3.111
383 H ARG 47 HN ARG 47 60.066 6.201 -2.717
384 HA ARG 47 HA ARG 47 58.337 5.295 -4.945
385 1HB ARG 47 HB2 ARG 47 61.163 4.281 -4.542
386 2HB ARG 47 HB1 ARG 47 59.993 3.585 -5.654
387 1HG ARG 47 HG2 ARG 47 60.937 6.460 -5.788
388 2HG ARG 47 HG1 ARG 47 61.631 5.155 -6.738
389 1HD ARG 47 HD2 ARG 47 59.376 4.706 -7.712
390 2HD ARG 47 HD1 ARG 47 58.751 6.106 -6.851
391 HE ARG 47 HE ARG 47 60.214 6.214 -9.297
392 1HH1 ARG 47 HH21 ARG 47 59.889 7.696 -6.200
393 2HH1 ARG 47 HH22 ARG 47 60.485 9.234 -6.727
394 1HH2 ARG 47 HH11 ARG 47 60.993 8.218 -10.002
395 2HH2 ARG 47 HH12 ARG 47 61.105 9.531 -8.878
396 H PHE 48 HN PHE 48 56.822 4.486 -3.406
397 HA PHE 48 HA PHE 48 57.821 2.149 -1.804
398 1HB PHE 48 HB2 PHE 48 56.692 4.090 -0.534
399 2HB PHE 48 HB1 PHE 48 55.217 3.672 -1.393
400 HD1 PHE 48 HD1 PHE 48 53.733 2.220 -0.361
401 HD2 PHE 48 HD2 PHE 48 57.896 2.008 0.649
402 HE1 PHE 48 HE1 PHE 48 53.241 0.433 1.291
403 HE2 PHE 48 HE2 PHE 48 57.400 0.223 2.307
404 HZ PHE 48 HZ PHE 48 55.091 -0.572 2.616
405 H HIS 49 HN HIS 49 57.067 0.140 -2.714
406 HA HIS 49 HA HIS 49 54.912 0.484 -4.779
407 1HB HIS 49 HB2 HIS 49 57.342 -1.293 -4.947
408 2HB HIS 49 HB1 HIS 49 56.060 -1.205 -6.148
409 HD1 HIS 49 HD1 HIS 49 55.662 1.395 -7.072
410 HD2 HIS 49 HD2 HIS 49 59.381 0.485 -5.432
411 HE1 HIS 49 HE1 HIS 49 57.260 3.174 -7.897
412 H ASN 50 HN ASN 50 53.550 -1.229 -5.249
413 HA ASN 50 HA ASN 50 53.283 -3.254 -3.069
414 1HB ASN 50 HB2 ASN 50 51.496 -1.544 -3.193
415 2HB ASN 50 HB1 ASN 50 51.147 -2.071 -4.820
416 1HD2 ASN 50 HD21 ASN 50 51.397 -3.397 -1.499
417 2HD2 ASN 50 HD22 ASN 50 50.176 -4.556 -1.707
418 H ILE 51 HN ILE 51 53.178 -5.338 -3.604
419 HA ILE 51 HA ILE 51 52.814 -6.112 -6.472
420 HB ILE 51 HB ILE 51 54.273 -7.655 -4.292
421 1HG1 ILE 51 HG12 ILE 51 55.361 -6.230 -6.726
422 2HG1 ILE 51 HG11 ILE 51 55.461 -5.603 -5.086
423 1HG2 ILE 51 HG21 ILE 51 54.867 -9.196 -6.071
424 2HG2 ILE 51 HG22 ILE 51 54.097 -8.164 -7.277
425 3HG2 ILE 51 HG23 ILE 51 53.114 -9.003 -6.077
426 1HD1 ILE 51 HD11 ILE 51 56.469 -8.366 -5.671
427 2HD1 ILE 51 HD12 ILE 51 56.977 -7.240 -4.413
428 3HD1 ILE 51 HD13 ILE 51 57.471 -6.975 -6.085
429 H ARG 52 HN ARG 52 51.086 -7.624 -6.804
430 HA ARG 52 HA ARG 52 49.058 -7.672 -4.839
431 1HB ARG 52 HB2 ARG 52 48.740 -8.264 -7.262
432 2HB ARG 52 HB1 ARG 52 49.522 -9.814 -6.939
433 1HG ARG 52 HG2 ARG 52 47.795 -10.283 -5.202
434 2HG ARG 52 HG1 ARG 52 46.984 -8.780 -5.640
435 1HD ARG 52 HD2 ARG 52 47.511 -11.097 -7.526
436 2HD ARG 52 HD1 ARG 52 45.956 -10.722 -6.779
437 HE ARG 52 HE ARG 52 46.919 -8.412 -8.174
438 1HH1 ARG 52 HH21 ARG 52 45.667 -11.593 -8.637
439 2HH1 ARG 52 HH22 ARG 52 44.933 -11.225 -10.163
440 1HH2 ARG 52 HH11 ARG 52 45.968 -7.914 -10.160
441 2HH2 ARG 52 HH12 ARG 52 45.105 -9.141 -11.025
442 H GLY 53 HN GLY 53 48.909 -8.728 -2.967
443 1HA GLY 53 HA2 GLY 53 49.026 -10.622 -1.514
444 2HA GLY 53 HA1 GLY 53 50.166 -11.378 -2.627
445 H ARG 54 HN ARG 54 51.826 -8.909 -2.799
446 HA ARG 54 HA ARG 54 52.958 -8.883 -0.033
447 1HB ARG 54 HB2 ARG 54 54.477 -9.217 -2.635
448 2HB ARG 54 HB1 ARG 54 55.227 -8.986 -1.053
449 1HG ARG 54 HG2 ARG 54 54.054 -11.029 -0.234
450 2HG ARG 54 HG1 ARG 54 53.415 -11.281 -1.859
451 1HD ARG 54 HD2 ARG 54 55.801 -11.303 -2.695
452 2HD ARG 54 HD1 ARG 54 56.323 -11.306 -1.011
453 HE ARG 54 HE ARG 54 54.968 -13.538 -2.409
454 1HH1 ARG 54 HH21 ARG 54 56.227 -12.111 0.473
455 2HH1 ARG 54 HH22 ARG 54 56.318 -13.613 1.330
456 1HH2 ARG 54 HH11 ARG 54 55.080 -15.499 -1.302
457 2HH2 ARG 54 HH12 ARG 54 55.670 -15.529 0.327
458 H TRP 55 HN TRP 55 54.026 -6.938 0.567
459 HA TRP 55 HA TRP 55 53.582 -4.632 -1.295
460 1HB TRP 55 HB2 TRP 55 52.808 -4.985 1.416
461 2HB TRP 55 HB1 TRP 55 54.106 -3.795 1.417
462 HD1 TRP 55 HD1 TRP 55 50.470 -4.094 0.787
463 HE1 TRP 55 HE1 TRP 55 49.571 -1.968 -0.356
464 HE3 TRP 55 HE3 TRP 55 54.872 -1.850 -0.466
465 HZ2 TRP 55 HZ2 TRP 55 50.602 0.372 -1.656
466 HZ3 TRP 55 HZ3 TRP 55 54.883 0.321 -1.640
467 HH2 TRP 55 HH2 TRP 55 52.764 1.434 -2.239
468 H THR 56 HN THR 56 55.402 -3.159 -1.600
469 HA THR 56 HA THR 56 57.946 -4.222 -0.421
470 HB THR 56 HB THR 56 59.061 -3.887 -2.471
471 HG1 THR 56 HG1 THR 56 58.413 -1.914 -3.092
472 1HG2 THR 56 HG21 THR 56 56.267 -4.668 -3.316
473 2HG2 THR 56 HG22 THR 56 57.346 -5.758 -2.452
474 3HG2 THR 56 HG23 THR 56 57.785 -5.170 -4.057
475 H GLY 57 HN GLY 57 59.666 -2.646 -0.199
476 1HA GLY 57 HA2 GLY 57 59.948 -0.022 -0.526
477 2HA GLY 57 HA1 GLY 57 58.646 -0.006 0.633
478 H ARG 58 HN ARG 58 59.217 -1.848 2.451
479 HA ARG 58 HA ARG 58 61.335 -0.786 4.010
480 1HB ARG 58 HB2 ARG 58 59.590 -2.321 4.878
481 2HB ARG 58 HB1 ARG 58 60.310 -3.636 3.964
482 1HG ARG 58 HG2 ARG 58 62.416 -3.312 5.157
483 2HG ARG 58 HG1 ARG 58 61.698 -2.013 6.082
484 1HD ARG 58 HD2 ARG 58 59.947 -3.723 6.825
485 2HD ARG 58 HD1 ARG 58 60.981 -4.953 6.145
486 HE ARG 58 HE ARG 58 62.314 -4.709 8.069
487 1HH1 ARG 58 HH21 ARG 58 60.553 -1.851 7.265
488 2HH1 ARG 58 HH22 ARG 58 61.091 -0.960 8.655
489 1HH2 ARG 58 HH11 ARG 58 63.037 -3.558 9.903
490 2HH2 ARG 58 HH12 ARG 58 62.498 -1.932 10.150
491 H CYS 59 HN CYS 59 61.163 -3.424 1.740
492 HA CYS 59 HA CYS 59 63.861 -4.261 2.106
493 1HB CYS 59 HB2 CYS 59 61.624 -5.214 0.831
494 2HB CYS 59 HB1 CYS 59 62.731 -4.855 -0.493
495 H MET 60 HN MET 60 62.380 -1.732 0.253
496 HA MET 60 HA MET 60 64.447 -1.458 -1.708
497 1HB MET 60 HB2 MET 60 62.748 0.666 -0.374
498 2HB MET 60 HB1 MET 60 63.790 0.959 -1.770
499 1HG MET 60 HG2 MET 60 61.501 -1.020 -1.650
500 2HG MET 60 HG1 MET 60 61.504 0.515 -2.503
501 1HE MET 60 HE1 MET 60 63.896 0.233 -5.319
502 2HE MET 60 HE2 MET 60 64.667 0.475 -3.753
503 3HE MET 60 HE3 MET 60 63.113 1.234 -4.088
504 H SER 61 HN SER 61 64.215 -0.405 1.666
505 HA SER 61 HA SER 61 66.694 1.064 1.655
506 1HB SER 61 HB2 SER 61 66.620 0.855 4.072
507 2HB SER 61 HB1 SER 61 64.968 1.113 3.517
508 HG SER 61 HG SER 61 64.741 -1.202 3.569
509 H CYS 62 HN CYS 62 65.756 -2.311 1.918
510 HA CYS 62 HA CYS 62 68.346 -3.337 2.654
511 1HB CYS 62 HB2 CYS 62 66.154 -4.776 1.101
512 2HB CYS 62 HB1 CYS 62 67.505 -5.515 1.944
513 H SER 63 HN SER 63 66.891 -2.251 -0.352
514 HA SER 63 HA SER 63 68.627 -3.608 -2.172
515 1HB SER 63 HB2 SER 63 67.986 -1.924 -3.787
516 2HB SER 63 HB1 SER 63 66.575 -2.292 -2.800
517 HG SER 63 HG SER 63 66.576 -0.206 -2.497
518 H ARG 64 HN ARG 64 69.123 -0.792 -0.137
519 HA ARG 64 HA ARG 64 71.933 -0.701 -1.148
520 1HB ARG 64 HB2 ARG 64 70.600 1.266 -1.943
521 2HB ARG 64 HB1 ARG 64 70.305 1.697 -0.259
522 1HG ARG 64 HG2 ARG 64 72.753 1.834 0.118
523 2HG ARG 64 HG1 ARG 64 73.021 1.467 -1.585
524 1HD ARG 64 HD2 ARG 64 71.682 3.491 -2.186
525 2HD ARG 64 HD1 ARG 64 71.569 3.885 -0.470
526 HE ARG 64 HE ARG 64 73.848 4.399 -2.140
527 1HH1 ARG 64 HH21 ARG 64 72.871 3.290 0.975
528 2HH1 ARG 64 HH22 ARG 64 74.335 3.786 1.758
529 1HH2 ARG 64 HH11 ARG 64 75.767 5.045 -1.139
530 2HH2 ARG 64 HH12 ARG 64 75.975 4.779 0.560
531 H SER 65 HN SER 65 73.498 -0.582 0.453
532 HA SER 65 HA SER 65 72.511 -0.332 3.265
533 1HB SER 65 HB2 SER 65 74.104 -2.051 3.945
534 2HB SER 65 HB1 SER 65 73.074 -2.697 2.671
535 HG SER 65 HG SER 65 74.711 -2.496 1.239
536 H SER 66 HN SER 66 74.097 0.593 4.745
537 HA SER 66 HA SER 66 76.255 2.104 3.322
538 1HB SER 66 HB2 SER 66 74.650 2.985 5.742
539 2HB SER 66 HB1 SER 66 75.927 3.912 4.957
540 HG SER 66 HG SER 66 73.610 4.301 4.347
541 H ARG 67 HN ARG 67 78.260 2.275 4.422
542 HA ARG 67 HA ARG 67 79.993 1.318 5.703
543 1HB ARG 67 HB2 ARG 67 77.842 1.748 7.798
544 2HB ARG 67 HB1 ARG 67 79.543 1.445 8.153
545 1HG ARG 67 HG2 ARG 67 80.145 3.466 6.823
546 2HG ARG 67 HG1 ARG 67 78.428 3.792 6.588
547 1HD ARG 67 HD2 ARG 67 78.177 3.825 9.100
548 2HD ARG 67 HD1 ARG 67 79.934 3.734 9.216
549 HE ARG 67 HE ARG 67 79.495 5.890 7.534
550 1HH1 ARG 67 HH21 ARG 67 78.414 4.888 10.649
551 2HH1 ARG 67 HH22 ARG 67 78.234 6.502 11.253
552 1HH2 ARG 67 HH11 ARG 67 79.265 8.003 8.301
553 2HH2 ARG 67 HH12 ARG 67 78.716 8.266 9.923
Start of MODEL 8
1 H ALA 1 HT1 ALA 1 54.187 -4.996 -7.744
2 HA ALA 1 HA ALA 1 55.739 -3.392 -6.397
3 1HB ALA 1 HB1 ALA 1 57.744 -4.626 -6.318
4 2HB ALA 1 HB2 ALA 1 58.002 -3.567 -7.706
5 3HB ALA 1 HB3 ALA 1 57.531 -5.248 -7.955
6 H MET 2 HN MET 2 56.984 -4.104 -9.588
7 HA MET 2 HA MET 2 56.133 -1.629 -10.692
8 1HB MET 2 HB2 MET 2 57.932 -3.108 -11.650
9 2HB MET 2 HB1 MET 2 56.663 -4.193 -12.222
10 1HG MET 2 HG2 MET 2 55.653 -2.261 -13.464
11 2HG MET 2 HG1 MET 2 57.049 -1.289 -12.998
12 1HE MET 2 HE1 MET 2 59.638 -3.679 -13.479
13 2HE MET 2 HE2 MET 2 59.248 -1.999 -13.112
14 3HE MET 2 HE3 MET 2 59.968 -2.410 -14.667
15 H SER 3 HN SER 3 54.528 -4.775 -10.477
16 HA SER 3 HA SER 3 52.479 -4.394 -12.389
17 1HB SER 3 HB2 SER 3 52.903 -6.446 -10.891
18 2HB SER 3 HB1 SER 3 52.006 -5.572 -9.646
19 HG SER 3 HG SER 3 51.084 -6.928 -11.790
20 H TYR 4 HN TYR 4 52.613 -3.370 -8.955
21 HA TYR 4 HA TYR 4 50.635 -1.275 -9.681
22 1HB TYR 4 HB2 TYR 4 49.404 -3.218 -8.684
23 2HB TYR 4 HB1 TYR 4 50.354 -3.023 -7.216
24 HD1 TYR 4 HD1 TYR 4 49.894 -1.226 -5.663
25 HD2 TYR 4 HD2 TYR 4 47.915 -1.418 -9.462
26 HE1 TYR 4 HE1 TYR 4 48.346 0.558 -4.944
27 HE2 TYR 4 HE2 TYR 4 46.364 0.362 -8.746
28 HH TYR 4 HH TYR 4 45.607 1.542 -6.956
29 H SER 5 HN SER 5 50.979 0.672 -8.475
30 HA SER 5 HA SER 5 53.077 0.553 -6.369
31 1HB SER 5 HB2 SER 5 54.409 2.265 -7.461
32 2HB SER 5 HB1 SER 5 54.212 0.878 -8.514
33 HG SER 5 HG SER 5 53.735 3.286 -9.175
34 H LEU 6 HN LEU 6 53.220 2.475 -5.099
35 HA LEU 6 HA LEU 6 50.777 4.211 -5.219
36 1HB LEU 6 HB2 LEU 6 51.027 2.579 -3.295
37 2HB LEU 6 HB1 LEU 6 52.490 3.428 -2.836
38 HG LEU 6 HG LEU 6 51.120 5.514 -2.615
39 1HD1 LEU 6 HD11 LEU 6 49.107 3.627 -3.633
40 2HD1 LEU 6 HD12 LEU 6 49.054 5.390 -3.577
41 3HD1 LEU 6 HD13 LEU 6 48.587 4.448 -2.161
42 1HD2 LEU 6 HD21 LEU 6 50.919 3.016 -0.996
43 2HD2 LEU 6 HD22 LEU 6 49.806 4.311 -0.563
44 3HD2 LEU 6 HD23 LEU 6 51.548 4.595 -0.536
45 H TYR 7 HN TYR 7 51.429 6.264 -5.948
46 HA TYR 7 HA TYR 7 54.198 6.946 -6.101
47 1HB TYR 7 HB2 TYR 7 52.504 7.812 -7.674
48 2HB TYR 7 HB1 TYR 7 51.879 8.848 -6.387
49 HD1 TYR 7 HD1 TYR 7 53.021 10.856 -5.746
50 HD2 TYR 7 HD2 TYR 7 54.906 8.074 -8.431
51 HE1 TYR 7 HE1 TYR 7 54.800 12.516 -6.215
52 HE2 TYR 7 HE2 TYR 7 56.677 9.740 -8.902
53 HH TYR 7 HH TYR 7 56.426 12.945 -8.219
54 H GLY 8 HN GLY 8 51.711 8.122 -3.746
55 1HA GLY 8 HA2 GLY 8 52.712 8.530 -1.443
56 2HA GLY 8 HA1 GLY 8 54.038 9.326 -2.282
57 H THR 9 HN THR 9 50.543 9.577 -2.888
58 HA THR 9 HA THR 9 50.724 12.504 -2.294
59 HB THR 9 HB THR 9 49.225 12.953 -4.112
60 HG1 THR 9 HG1 THR 9 48.516 11.072 -5.378
61 1HG2 THR 9 HG21 THR 9 50.865 10.873 -5.450
62 2HG2 THR 9 HG22 THR 9 51.737 12.076 -4.497
63 3HG2 THR 9 HG23 THR 9 50.695 12.587 -5.825
64 H THR 10 HN THR 10 48.440 13.424 -1.851
65 HA THR 10 HA THR 10 47.328 12.462 0.461
66 HB THR 10 HB THR 10 45.656 13.527 -1.838
67 HG1 THR 10 HG1 THR 10 47.522 14.682 -0.145
68 1HG2 THR 10 HG21 THR 10 44.524 14.572 0.318
69 2HG2 THR 10 HG22 THR 10 45.259 13.177 1.108
70 3HG2 THR 10 HG23 THR 10 44.114 12.941 -0.212
71 H LEU 11 HN LEU 11 47.016 11.081 -2.714
72 HA LEU 11 HA LEU 11 44.740 9.468 -2.412
73 1HB LEU 11 HB2 LEU 11 47.302 8.761 -3.826
74 2HB LEU 11 HB1 LEU 11 45.726 8.022 -4.105
75 HG LEU 11 HG LEU 11 46.454 10.927 -4.569
76 1HD1 LEU 11 HD11 LEU 11 46.393 8.524 -6.239
77 2HD1 LEU 11 HD12 LEU 11 47.104 10.103 -6.573
78 3HD1 LEU 11 HD13 LEU 11 45.390 9.823 -6.884
79 1HD2 LEU 11 HD21 LEU 11 44.032 10.703 -5.666
80 2HD2 LEU 11 HD22 LEU 11 44.229 11.116 -3.963
81 3HD2 LEU 11 HD23 LEU 11 43.854 9.457 -4.430
82 H GLU 12 HN GLU 12 48.018 8.918 -1.138
83 HA GLU 12 HA GLU 12 47.613 6.189 -0.370
84 1HB GLU 12 HB2 GLU 12 49.358 8.294 0.948
85 2HB GLU 12 HB1 GLU 12 49.395 6.573 1.339
86 1HG GLU 12 HG2 GLU 12 51.071 6.679 -0.260
87 2HG GLU 12 HG1 GLU 12 49.667 6.315 -1.262
88 H GLN 13 HN GLN 13 46.501 9.171 0.901
89 HA GLN 13 HA GLN 13 45.940 8.716 3.570
90 1HB GLN 13 HB2 GLN 13 45.408 10.728 2.163
91 2HB GLN 13 HB1 GLN 13 44.037 9.848 1.502
92 1HG GLN 13 HG2 GLN 13 43.143 9.624 3.838
93 2HG GLN 13 HG1 GLN 13 44.449 10.689 4.378
94 1HE2 GLN 13 HE21 GLN 13 43.915 11.656 1.306
95 2HE2 GLN 13 HE22 GLN 13 42.752 12.863 1.536
96 H GLN 14 HN GLN 14 44.068 7.472 0.752
97 HA GLN 14 HA GLN 14 41.993 6.258 2.319
98 1HB GLN 14 HB2 GLN 14 43.134 5.452 -0.373
99 2HB GLN 14 HB1 GLN 14 41.635 4.820 0.313
100 1HG GLN 14 HG2 GLN 14 40.708 7.087 0.403
101 2HG GLN 14 HG1 GLN 14 42.203 7.738 -0.261
102 1HE2 GLN 14 HE21 GLN 14 39.790 8.140 -1.677
103 2HE2 GLN 14 HE22 GLN 14 39.818 7.212 -3.098
104 H TYR 15 HN TYR 15 45.134 5.141 1.210
105 HA TYR 15 HA TYR 15 44.943 2.438 2.153
106 1HB TYR 15 HB2 TYR 15 47.323 4.238 1.625
107 2HB TYR 15 HB1 TYR 15 47.450 2.517 1.980
108 HD1 TYR 15 HD1 TYR 15 45.821 4.929 -0.384
109 HD2 TYR 15 HD2 TYR 15 47.266 0.941 0.265
110 HE1 TYR 15 HE1 TYR 15 45.450 4.401 -2.780
111 HE2 TYR 15 HE2 TYR 15 46.887 0.401 -2.116
112 HH TYR 15 HH TYR 15 46.788 1.948 -4.352
113 H ASN 16 HN ASN 16 45.850 5.465 3.678
114 HA ASN 16 HA ASN 16 47.341 4.540 5.855
115 1HB ASN 16 HB2 ASN 16 46.858 6.936 5.234
116 2HB ASN 16 HB1 ASN 16 45.301 6.757 6.045
117 1HD2 ASN 16 HD21 ASN 16 46.771 8.631 7.258
118 2HD2 ASN 16 HD22 ASN 16 47.536 8.058 8.661
119 H LYS 17 HN LYS 17 43.746 4.638 5.693
120 HA LYS 17 HA LYS 17 43.502 3.880 8.452
121 1HB LYS 17 HB2 LYS 17 41.208 2.895 7.088
122 2HB LYS 17 HB1 LYS 17 41.357 4.325 8.090
123 1HG LYS 17 HG2 LYS 17 41.748 5.746 6.278
124 2HG LYS 17 HG1 LYS 17 42.271 4.439 5.222
125 1HD LYS 17 HD2 LYS 17 39.991 3.552 5.134
126 2HD LYS 17 HD1 LYS 17 39.446 4.802 6.252
127 1HE LYS 17 HE2 LYS 17 39.087 6.165 4.500
128 2HE LYS 17 HE1 LYS 17 40.815 6.129 4.152
129 1HZ LYS 17 HZ1 LYS 17 38.655 4.797 2.817
130 2HZ LYS 17 HZ2 LYS 17 39.930 3.745 3.213
131 3HZ LYS 17 HZ3 LYS 17 40.226 5.127 2.270
132 HA PRO 18 HA PRO 18 43.178 -0.652 7.150
133 1HB PRO 18 HB2 PRO 18 42.899 -1.426 4.609
134 2HB PRO 18 HB1 PRO 18 41.540 -0.688 5.484
135 1HG PRO 18 HG2 PRO 18 43.387 0.528 3.488
136 2HG PRO 18 HG1 PRO 18 41.635 0.722 3.668
137 1HD PRO 18 HD2 PRO 18 43.532 2.517 4.633
138 2HD PRO 18 HD1 PRO 18 41.861 2.383 5.205
139 H LEU 19 HN LEU 19 45.617 1.321 6.063
140 HA LEU 19 HA LEU 19 47.208 -0.134 4.331
141 1HB LEU 19 HB2 LEU 19 47.887 2.050 5.326
142 2HB LEU 19 HB1 LEU 19 48.251 1.218 6.836
143 HG LEU 19 HG LEU 19 49.786 -0.285 5.479
144 1HD1 LEU 19 HD11 LEU 19 49.120 0.045 3.245
145 2HD1 LEU 19 HD12 LEU 19 50.615 0.975 3.360
146 3HD1 LEU 19 HD13 LEU 19 49.056 1.797 3.430
147 1HD2 LEU 19 HD21 LEU 19 51.436 1.799 5.150
148 2HD2 LEU 19 HD22 LEU 19 51.007 1.192 6.747
149 3HD2 LEU 19 HD23 LEU 19 50.176 2.598 6.092
150 H SER 20 HN SER 20 47.126 -0.656 7.913
151 HA SER 20 HA SER 20 48.935 -2.890 7.786
152 1HB SER 20 HB2 SER 20 46.653 -2.480 9.748
153 2HB SER 20 HB1 SER 20 48.066 -3.504 9.983
154 HG SER 20 HG SER 20 49.120 -1.267 9.424
155 H ASP 21 HN ASP 21 45.459 -2.521 7.509
156 HA ASP 21 HA ASP 21 44.739 -5.268 7.300
157 1HB ASP 21 HB2 ASP 21 43.422 -2.750 6.266
158 2HB ASP 21 HB1 ASP 21 42.660 -4.335 6.220
159 H LEU 22 HN LEU 22 45.698 -2.919 4.784
160 HA LEU 22 HA LEU 22 44.903 -4.446 2.547
161 1HB LEU 22 HB2 LEU 22 47.301 -2.614 2.772
162 2HB LEU 22 HB1 LEU 22 46.556 -3.148 1.267
163 HG LEU 22 HG LEU 22 45.250 -1.466 3.418
164 1HD1 LEU 22 HD11 LEU 22 46.762 -0.171 2.064
165 2HD1 LEU 22 HD12 LEU 22 45.125 0.170 1.501
166 3HD1 LEU 22 HD13 LEU 22 46.163 -0.925 0.585
167 1HD2 LEU 22 HD21 LEU 22 44.186 -2.847 0.964
168 2HD2 LEU 22 HD22 LEU 22 43.446 -1.352 1.535
169 3HD2 LEU 22 HD23 LEU 22 43.482 -2.771 2.580
170 H LEU 23 HN LEU 23 48.033 -4.586 4.282
171 HA LEU 23 HA LEU 23 48.945 -6.990 4.397
172 1HB LEU 23 HB2 LEU 23 49.480 -8.104 2.345
173 2HB LEU 23 HB1 LEU 23 47.786 -7.701 2.275
174 HG LEU 23 HG LEU 23 50.079 -6.700 0.638
175 1HD1 LEU 23 HD11 LEU 23 48.612 -6.985 -1.143
176 2HD1 LEU 23 HD12 LEU 23 47.184 -6.733 -0.138
177 3HD1 LEU 23 HD13 LEU 23 48.090 -8.243 -0.018
178 1HD2 LEU 23 HD21 LEU 23 48.950 -4.608 1.856
179 2HD2 LEU 23 HD22 LEU 23 47.680 -4.908 0.674
180 3HD2 LEU 23 HD23 LEU 23 49.302 -4.587 0.142
181 H ILE 24 HN ILE 24 50.645 -5.639 5.379
182 HA ILE 24 HA ILE 24 52.588 -4.601 3.347
183 HB ILE 24 HB ILE 24 52.244 -3.718 6.215
184 1HG1 ILE 24 HG12 ILE 24 50.322 -2.972 4.994
185 2HG1 ILE 24 HG11 ILE 24 51.425 -1.600 5.086
186 1HG2 ILE 24 HG21 ILE 24 54.364 -3.392 4.324
187 2HG2 ILE 24 HG22 ILE 24 54.232 -2.724 5.951
188 3HG2 ILE 24 HG23 ILE 24 53.594 -1.825 4.576
189 1HD1 ILE 24 HD11 ILE 24 50.796 -3.350 2.726
190 2HD1 ILE 24 HD12 ILE 24 52.337 -2.496 2.807
191 3HD1 ILE 24 HD13 ILE 24 50.824 -1.592 2.825
192 H ARG 25 HN ARG 25 54.496 -5.569 3.219
193 HA ARG 25 HA ARG 25 55.857 -6.531 5.633
194 1HB ARG 25 HB2 ARG 25 55.302 -8.384 3.312
195 2HB ARG 25 HB1 ARG 25 56.524 -8.689 4.537
196 1HG ARG 25 HG2 ARG 25 54.738 -8.563 6.288
197 2HG ARG 25 HG1 ARG 25 53.541 -8.409 4.992
198 1HD ARG 25 HD2 ARG 25 54.519 -10.566 4.023
199 2HD ARG 25 HD1 ARG 25 55.389 -10.737 5.543
200 HE ARG 25 HE ARG 25 52.468 -11.009 5.201
201 1HH1 ARG 25 HH21 ARG 25 55.243 -10.755 7.234
202 2HH1 ARG 25 HH22 ARG 25 54.451 -11.429 8.620
203 1HH2 ARG 25 HH11 ARG 25 51.423 -11.893 6.999
204 2HH2 ARG 25 HH12 ARG 25 52.292 -12.072 8.486
205 H CYS 26 HN CYS 26 58.125 -6.806 5.306
206 HA CYS 26 HA CYS 26 59.340 -5.003 3.336
207 1HB CYS 26 HB2 CYS 26 60.043 -6.540 5.704
208 2HB CYS 26 HB1 CYS 26 61.315 -6.532 4.510
209 H ILE 27 HN ILE 27 60.820 -5.784 1.656
210 HA ILE 27 HA ILE 27 60.085 -8.323 0.515
211 HB ILE 27 HB ILE 27 61.213 -6.379 -0.721
212 1HG1 ILE 27 HG12 ILE 27 62.703 -8.967 -1.063
213 2HG1 ILE 27 HG11 ILE 27 60.975 -8.886 -1.391
214 1HG2 ILE 27 HG21 ILE 27 63.846 -7.552 -0.033
215 2HG2 ILE 27 HG22 ILE 27 63.100 -6.586 1.238
216 3HG2 ILE 27 HG23 ILE 27 63.411 -5.872 -0.343
217 1HD1 ILE 27 HD11 ILE 27 62.152 -8.453 -3.469
218 2HD1 ILE 27 HD12 ILE 27 63.155 -7.229 -2.692
219 3HD1 ILE 27 HD13 ILE 27 61.430 -6.938 -2.925
220 H ASN 28 HN ASN 28 62.378 -7.228 2.877
221 HA ASN 28 HA ASN 28 63.506 -9.979 3.116
222 1HB ASN 28 HB2 ASN 28 65.523 -9.012 3.482
223 2HB ASN 28 HB1 ASN 28 64.789 -7.488 3.006
224 1HD2 ASN 28 HD21 ASN 28 65.483 -5.962 4.529
225 2HD2 ASN 28 HD22 ASN 28 65.452 -6.185 6.209
226 H CYS 29 HN CYS 29 62.772 -7.210 5.257
227 HA CYS 29 HA CYS 29 62.422 -8.917 7.557
228 1HB CYS 29 HB2 CYS 29 61.292 -6.137 7.463
229 2HB CYS 29 HB1 CYS 29 62.118 -6.957 8.788
230 H GLN 30 HN GLN 30 60.866 -10.209 6.095
231 HA GLN 30 HA GLN 30 58.274 -9.556 5.425
232 1HB GLN 30 HB2 GLN 30 59.101 -12.120 6.812
233 2HB GLN 30 HB1 GLN 30 57.684 -11.902 5.782
234 1HG GLN 30 HG2 GLN 30 60.576 -11.641 4.956
235 2HG GLN 30 HG1 GLN 30 59.443 -12.882 4.464
236 1HE2 GLN 30 HE21 GLN 30 60.792 -10.075 3.493
237 2HE2 GLN 30 HE22 GLN 30 59.625 -9.525 2.418
238 H LYS 31 HN LYS 31 59.526 -10.221 8.671
239 HA LYS 31 HA LYS 31 57.074 -10.481 10.035
240 1HB LYS 31 HB2 LYS 31 59.748 -9.331 10.762
241 2HB LYS 31 HB1 LYS 31 58.387 -8.995 11.834
242 1HG LYS 31 HG2 LYS 31 57.937 -11.392 12.063
243 2HG LYS 31 HG1 LYS 31 59.239 -11.762 10.933
244 1HD LYS 31 HD2 LYS 31 60.835 -11.501 12.516
245 2HD LYS 31 HD1 LYS 31 60.092 -10.027 13.139
246 1HE LYS 31 HE2 LYS 31 58.831 -12.710 13.670
247 2HE LYS 31 HE1 LYS 31 60.154 -12.128 14.681
248 1HZ LYS 31 HZ1 LYS 31 57.839 -10.396 14.114
249 2HZ LYS 31 HZ2 LYS 31 58.920 -10.345 15.424
250 3HZ LYS 31 HZ3 LYS 31 57.745 -11.569 15.335
251 HA PRO 32 HA PRO 32 54.791 -6.796 9.277
252 1HB PRO 32 HB2 PRO 32 54.882 -6.326 12.245
253 2HB PRO 32 HB1 PRO 32 53.496 -6.230 11.134
254 1HG PRO 32 HG2 PRO 32 53.788 -8.355 12.639
255 2HG PRO 32 HG1 PRO 32 53.323 -8.539 10.948
256 1HD PRO 32 HD2 PRO 32 55.977 -9.068 12.238
257 2HD PRO 32 HD1 PRO 32 55.179 -9.920 10.893
258 H LEU 33 HN LEU 33 55.213 -4.644 8.895
259 HA LEU 33 HA LEU 33 57.943 -3.704 9.570
260 1HB LEU 33 HB2 LEU 33 56.942 -3.749 7.219
261 2HB LEU 33 HB1 LEU 33 55.912 -2.427 7.748
262 HG LEU 33 HG LEU 33 58.228 -1.435 8.595
263 1HD1 LEU 33 HD11 LEU 33 59.013 -3.658 6.884
264 2HD1 LEU 33 HD12 LEU 33 60.003 -2.639 7.923
265 3HD1 LEU 33 HD13 LEU 33 59.633 -2.125 6.281
266 1HD2 LEU 33 HD21 LEU 33 57.055 -1.335 5.821
267 2HD2 LEU 33 HD22 LEU 33 58.404 -0.312 6.299
268 3HD2 LEU 33 HD23 LEU 33 56.858 -0.178 7.126
269 H SER 34 HN SER 34 58.323 -2.084 10.942
270 HA SER 34 HA SER 34 56.290 -0.995 12.565
271 1HB SER 34 HB2 SER 34 58.701 -0.961 13.217
272 2HB SER 34 HB1 SER 34 59.024 0.163 11.901
273 HG SER 34 HG SER 34 57.120 1.315 13.092
274 HA PRO 35 HA PRO 35 54.569 1.491 9.401
275 1HB PRO 35 HB2 PRO 35 53.433 3.415 11.092
276 2HB PRO 35 HB1 PRO 35 52.682 1.930 10.489
277 1HG PRO 35 HG2 PRO 35 53.781 2.507 13.131
278 2HG PRO 35 HG1 PRO 35 52.591 1.305 12.630
279 1HD PRO 35 HD2 PRO 35 55.211 0.739 13.308
280 2HD PRO 35 HD1 PRO 35 54.152 -0.317 12.348
281 H GLU 36 HN GLU 36 56.972 2.474 11.557
282 HA GLU 36 HA GLU 36 57.170 5.259 10.937
283 1HB GLU 36 HB2 GLU 36 58.418 4.123 12.765
284 2HB GLU 36 HB1 GLU 36 59.445 3.359 11.551
285 1HG GLU 36 HG2 GLU 36 60.084 5.621 10.717
286 2HG GLU 36 HG1 GLU 36 59.138 6.339 12.022
287 H GLU 37 HN GLU 37 58.632 2.445 9.244
288 HA GLU 37 HA GLU 37 60.000 4.207 7.356
289 1HB GLU 37 HB2 GLU 37 59.504 1.224 7.364
290 2HB GLU 37 HB1 GLU 37 60.510 2.055 6.175
291 1HG GLU 37 HG2 GLU 37 61.927 2.923 8.030
292 2HG GLU 37 HG1 GLU 37 60.946 2.009 9.177
293 H LYS 38 HN LYS 38 57.243 1.945 7.028
294 HA LYS 38 HA LYS 38 56.683 2.741 4.337
295 1HB LYS 38 HB2 LYS 38 54.632 1.458 4.566
296 2HB LYS 38 HB1 LYS 38 55.971 0.561 5.279
297 1HG LYS 38 HG2 LYS 38 55.336 1.480 7.496
298 2HG LYS 38 HG1 LYS 38 53.914 2.218 6.758
299 1HD LYS 38 HD2 LYS 38 53.292 -0.105 5.924
300 2HD LYS 38 HD1 LYS 38 54.567 -0.734 6.965
301 1HE LYS 38 HE2 LYS 38 53.405 -0.285 8.894
302 2HE LYS 38 HE1 LYS 38 52.616 1.139 8.216
303 1HZ LYS 38 HZ1 LYS 38 51.656 -1.510 8.381
304 2HZ LYS 38 HZ2 LYS 38 51.742 -1.047 6.749
305 3HZ LYS 38 HZ3 LYS 38 50.844 -0.117 7.851
306 H GLN 39 HN GLN 39 55.550 3.879 7.499
307 HA GLN 39 HA GLN 39 53.437 5.423 6.445
308 1HB GLN 39 HB2 GLN 39 53.732 5.113 8.883
309 2HB GLN 39 HB1 GLN 39 55.153 6.169 8.831
310 1HG GLN 39 HG2 GLN 39 53.181 7.475 9.470
311 2HG GLN 39 HG1 GLN 39 53.714 7.965 7.858
312 1HE2 GLN 39 HE21 GLN 39 52.572 7.008 6.010
313 2HE2 GLN 39 HE22 GLN 39 50.970 6.490 6.164
314 H ARG 40 HN ARG 40 56.893 6.199 6.777
315 HA ARG 40 HA ARG 40 56.652 8.887 5.798
316 1HB ARG 40 HB2 ARG 40 58.947 6.910 5.561
317 2HB ARG 40 HB1 ARG 40 59.060 8.627 5.169
318 1HG ARG 40 HG2 ARG 40 58.361 9.165 7.504
319 2HG ARG 40 HG1 ARG 40 58.389 7.444 7.876
320 1HD ARG 40 HD2 ARG 40 60.742 9.109 6.941
321 2HD ARG 40 HD1 ARG 40 60.506 8.458 8.564
322 HE ARG 40 HE ARG 40 60.542 6.459 6.401
323 1HH1 ARG 40 HH21 ARG 40 62.219 8.220 8.847
324 2HH1 ARG 40 HH22 ARG 40 63.510 7.071 8.974
325 1HH2 ARG 40 HH11 ARG 40 62.218 4.952 6.555
326 2HH2 ARG 40 HH12 ARG 40 63.510 5.223 7.676
327 H HIS 41 HN HIS 41 57.007 5.715 4.224
328 HA HIS 41 HA HIS 41 57.371 6.691 1.566
329 1HB HIS 41 HB2 HIS 41 55.875 4.175 2.400
330 2HB HIS 41 HB1 HIS 41 56.508 4.518 0.798
331 HD1 HIS 41 HD1 HIS 41 59.181 5.880 2.135
332 HD2 HIS 41 HD2 HIS 41 57.766 1.991 2.633
333 HE1 HIS 41 HE1 HIS 41 61.159 4.482 2.873
334 H LEU 42 HN LEU 42 54.450 5.916 3.398
335 HA LEU 42 HA LEU 42 52.560 6.608 1.365
336 1HB LEU 42 HB2 LEU 42 52.259 6.716 4.376
337 2HB LEU 42 HB1 LEU 42 50.941 6.676 3.207
338 HG LEU 42 HG LEU 42 53.018 4.509 3.611
339 1HD1 LEU 42 HD11 LEU 42 50.330 5.036 4.693
340 2HD1 LEU 42 HD12 LEU 42 51.606 3.982 5.305
341 3HD1 LEU 42 HD13 LEU 42 50.535 3.419 4.018
342 1HD2 LEU 42 HD21 LEU 42 51.095 3.385 2.098
343 2HD2 LEU 42 HD22 LEU 42 52.500 4.188 1.398
344 3HD2 LEU 42 HD23 LEU 42 50.966 5.049 1.527
345 H ASP 43 HN ASP 43 54.121 8.540 3.932
346 HA ASP 43 HA ASP 43 52.422 10.792 3.708
347 1HB ASP 43 HB2 ASP 43 55.353 10.630 4.441
348 2HB ASP 43 HB1 ASP 43 54.368 12.082 4.635
349 H LYS 44 HN LYS 44 55.489 10.136 1.972
350 HA LYS 44 HA LYS 44 54.560 11.443 -0.432
351 1HB LYS 44 HB2 LYS 44 56.671 13.016 1.084
352 2HB LYS 44 HB1 LYS 44 56.120 13.341 -0.549
353 1HG LYS 44 HG2 LYS 44 54.408 13.559 1.948
354 2HG LYS 44 HG1 LYS 44 55.134 14.891 1.082
355 1HD LYS 44 HD2 LYS 44 53.896 14.261 -0.974
356 2HD LYS 44 HD1 LYS 44 53.078 12.987 -0.093
357 1HE LYS 44 HE2 LYS 44 51.514 14.627 0.241
358 2HE LYS 44 HE1 LYS 44 52.584 15.055 1.576
359 1HZ LYS 44 HZ1 LYS 44 53.726 16.318 -0.507
360 2HZ LYS 44 HZ2 LYS 44 52.647 17.041 0.587
361 3HZ LYS 44 HZ3 LYS 44 52.081 16.445 -0.900
362 H LYS 45 HN LYS 45 55.451 9.258 -0.969
363 HA LYS 45 HA LYS 45 58.425 9.174 -0.960
364 1HB LYS 45 HB2 LYS 45 57.006 7.136 -0.361
365 2HB LYS 45 HB1 LYS 45 56.561 7.067 -2.056
366 1HG LYS 45 HG2 LYS 45 58.937 6.940 -2.694
367 2HG LYS 45 HG1 LYS 45 59.398 6.996 -0.991
368 1HD LYS 45 HD2 LYS 45 58.092 4.927 -0.594
369 2HD LYS 45 HD1 LYS 45 57.727 4.844 -2.309
370 1HE LYS 45 HE2 LYS 45 60.031 3.861 -0.950
371 2HE LYS 45 HE1 LYS 45 59.691 3.801 -2.678
372 1HZ LYS 45 HZ1 LYS 45 60.444 6.382 -2.246
373 2HZ LYS 45 HZ2 LYS 45 61.423 5.156 -2.892
374 3HZ LYS 45 HZ3 LYS 45 61.479 5.504 -1.231
375 H GLN 46 HN GLN 46 59.626 9.250 -2.947
376 HA GLN 46 HA GLN 46 58.457 10.709 -5.090
377 1HB GLN 46 HB2 GLN 46 60.741 8.692 -5.178
378 2HB GLN 46 HB1 GLN 46 60.369 9.850 -6.455
379 1HG GLN 46 HG2 GLN 46 60.765 11.715 -4.910
380 2HG GLN 46 HG1 GLN 46 61.087 10.577 -3.601
381 1HE2 GLN 46 HE21 GLN 46 63.107 12.385 -4.300
382 2HE2 GLN 46 HE22 GLN 46 64.372 11.561 -5.076
383 H ARG 47 HN ARG 47 58.742 7.293 -4.349
384 HA ARG 47 HA ARG 47 56.291 6.647 -5.597
385 1HB ARG 47 HB2 ARG 47 56.996 5.341 -7.496
386 2HB ARG 47 HB1 ARG 47 57.593 6.987 -7.666
387 1HG ARG 47 HG2 ARG 47 59.773 6.184 -6.658
388 2HG ARG 47 HG1 ARG 47 59.151 4.539 -6.831
389 1HD ARG 47 HD2 ARG 47 58.762 4.999 -9.261
390 2HD ARG 47 HD1 ARG 47 59.546 6.565 -9.049
391 HE ARG 47 HE ARG 47 60.882 4.010 -9.233
392 1HH1 ARG 47 HH21 ARG 47 60.932 7.169 -7.867
393 2HH1 ARG 47 HH22 ARG 47 62.654 7.214 -7.691
394 1HH2 ARG 47 HH11 ARG 47 63.137 4.047 -9.014
395 2HH2 ARG 47 HH12 ARG 47 63.901 5.447 -8.340
396 H PHE 48 HN PHE 48 55.636 4.577 -5.037
397 HA PHE 48 HA PHE 48 57.564 2.983 -3.399
398 1HB PHE 48 HB2 PHE 48 55.603 4.372 -2.303
399 2HB PHE 48 HB1 PHE 48 54.587 3.102 -2.945
400 HD1 PHE 48 HD1 PHE 48 58.025 2.699 -1.436
401 HD2 PHE 48 HD2 PHE 48 53.788 2.091 -1.008
402 HE1 PHE 48 HE1 PHE 48 58.416 1.361 0.604
403 HE2 PHE 48 HE2 PHE 48 54.192 0.742 1.024
404 HZ PHE 48 HZ PHE 48 56.498 0.384 1.834
405 H HIS 49 HN HIS 49 57.254 0.572 -3.649
406 HA HIS 49 HA HIS 49 55.735 0.017 -6.183
407 1HB HIS 49 HB2 HIS 49 58.124 -1.434 -5.008
408 2HB HIS 49 HB1 HIS 49 57.306 -1.872 -6.506
409 HD1 HIS 49 HD1 HIS 49 57.189 0.239 -8.312
410 HD2 HIS 49 HD2 HIS 49 60.173 0.362 -5.404
411 HE1 HIS 49 HE1 HIS 49 58.929 1.882 -9.142
412 H ASN 50 HN ASN 50 54.252 -1.602 -6.264
413 HA ASN 50 HA ASN 50 53.740 -3.074 -3.712
414 1HB ASN 50 HB2 ASN 50 52.035 -1.385 -4.339
415 2HB ASN 50 HB1 ASN 50 51.749 -2.274 -5.812
416 1HD2 ASN 50 HD21 ASN 50 51.768 -2.801 -2.249
417 2HD2 ASN 50 HD22 ASN 50 50.530 -3.961 -2.272
418 H ILE 51 HN ILE 51 53.768 -5.202 -3.778
419 HA ILE 51 HA ILE 51 53.417 -6.648 -6.379
420 HB ILE 51 HB ILE 51 54.797 -7.623 -3.842
421 1HG1 ILE 51 HG12 ILE 51 56.060 -6.946 -6.506
422 2HG1 ILE 51 HG11 ILE 51 56.079 -5.853 -5.119
423 1HG2 ILE 51 HG21 ILE 51 53.601 -9.279 -5.402
424 2HG2 ILE 51 HG22 ILE 51 55.297 -9.604 -5.043
425 3HG2 ILE 51 HG23 ILE 51 54.846 -8.879 -6.586
426 1HD1 ILE 51 HD11 ILE 51 57.195 -7.650 -3.796
427 2HD1 ILE 51 HD12 ILE 51 58.151 -7.144 -5.190
428 3HD1 ILE 51 HD13 ILE 51 57.236 -8.650 -5.248
429 H ARG 52 HN ARG 52 51.640 -8.155 -6.336
430 HA ARG 52 HA ARG 52 49.615 -7.705 -4.427
431 1HB ARG 52 HB2 ARG 52 50.140 -10.212 -6.051
432 2HB ARG 52 HB1 ARG 52 48.639 -9.874 -5.187
433 1HG ARG 52 HG2 ARG 52 48.395 -7.774 -6.517
434 2HG ARG 52 HG1 ARG 52 49.829 -8.226 -7.437
435 1HD ARG 52 HD2 ARG 52 48.665 -10.385 -8.033
436 2HD ARG 52 HD1 ARG 52 47.207 -9.734 -7.284
437 HE ARG 52 HE ARG 52 48.279 -7.905 -9.253
438 1HH1 ARG 52 HH21 ARG 52 46.514 -10.818 -8.747
439 2HH1 ARG 52 HH22 ARG 52 45.600 -10.681 -10.213
440 1HH2 ARG 52 HH11 ARG 52 47.091 -7.700 -11.173
441 2HH2 ARG 52 HH12 ARG 52 45.925 -8.914 -11.586
442 H GLY 53 HN GLY 53 49.109 -8.616 -2.463
443 1HA GLY 53 HA2 GLY 53 49.333 -9.974 -0.554
444 2HA GLY 53 HA1 GLY 53 50.485 -10.967 -1.445
445 H ARG 54 HN ARG 54 52.200 -8.601 -2.115
446 HA ARG 54 HA ARG 54 53.239 -7.995 0.619
447 1HB ARG 54 HB2 ARG 54 54.492 -9.884 -0.401
448 2HB ARG 54 HB1 ARG 54 54.927 -8.834 -1.749
449 1HG ARG 54 HG2 ARG 54 55.998 -7.264 -0.139
450 2HG ARG 54 HG1 ARG 54 55.640 -8.398 1.162
451 1HD ARG 54 HD2 ARG 54 57.334 -9.005 -1.277
452 2HD ARG 54 HD1 ARG 54 57.946 -8.695 0.347
453 HE ARG 54 HE ARG 54 56.255 -10.776 0.804
454 1HH1 ARG 54 HH21 ARG 54 58.644 -10.147 -1.599
455 2HH1 ARG 54 HH22 ARG 54 59.057 -11.815 -1.817
456 1HH2 ARG 54 HH11 ARG 54 56.779 -12.960 0.533
457 2HH2 ARG 54 HH12 ARG 54 58.001 -13.408 -0.610
458 H TRP 55 HN TRP 55 54.275 -5.991 0.866
459 HA TRP 55 HA TRP 55 54.067 -4.159 -1.484
460 1HB TRP 55 HB2 TRP 55 53.252 -3.849 1.265
461 2HB TRP 55 HB1 TRP 55 54.481 -2.663 0.880
462 HD1 TRP 55 HD1 TRP 55 50.896 -3.383 0.342
463 HE1 TRP 55 HE1 TRP 55 49.872 -1.653 -1.269
464 HE3 TRP 55 HE3 TRP 55 55.146 -1.139 -1.252
465 HZ2 TRP 55 HZ2 TRP 55 50.789 0.432 -3.032
466 HZ3 TRP 55 HZ3 TRP 55 55.054 0.729 -2.854
467 HH2 TRP 55 HH2 TRP 55 52.888 1.510 -3.750
468 H THR 56 HN THR 56 55.912 -2.917 -2.022
469 HA THR 56 HA THR 56 58.424 -3.641 -0.612
470 HB THR 56 HB THR 56 59.558 -4.013 -2.702
471 HG1 THR 56 HG1 THR 56 58.830 -2.951 -4.338
472 1HG2 THR 56 HG21 THR 56 58.595 -6.055 -3.230
473 2HG2 THR 56 HG22 THR 56 56.953 -5.416 -3.160
474 3HG2 THR 56 HG23 THR 56 57.840 -5.731 -1.669
475 H GLY 57 HN GLY 57 60.298 -2.355 -1.386
476 1HA GLY 57 HA2 GLY 57 61.285 -0.226 -2.054
477 2HA GLY 57 HA1 GLY 57 59.683 0.533 -1.861
478 H ARG 58 HN ARG 58 59.189 -1.290 0.248
479 HA ARG 58 HA ARG 58 59.687 0.178 2.609
480 1HB ARG 58 HB2 ARG 58 57.848 -1.225 2.290
481 2HB ARG 58 HB1 ARG 58 58.843 -2.614 1.895
482 1HG ARG 58 HG2 ARG 58 59.695 -2.668 4.169
483 2HG ARG 58 HG1 ARG 58 58.735 -1.246 4.558
484 1HD ARG 58 HD2 ARG 58 57.597 -3.865 3.566
485 2HD ARG 58 HD1 ARG 58 57.620 -3.390 5.250
486 HE ARG 58 HE ARG 58 55.863 -1.844 4.788
487 1HH1 ARG 58 HH21 ARG 58 57.199 -3.357 2.013
488 2HH1 ARG 58 HH22 ARG 58 56.054 -2.675 0.912
489 1HH2 ARG 58 HH11 ARG 58 54.352 -0.920 3.406
490 2HH2 ARG 58 HH12 ARG 58 54.408 -1.280 1.716
491 H CYS 59 HN CYS 59 61.238 -2.766 1.373
492 HA CYS 59 HA CYS 59 62.953 -2.805 3.720
493 1HB CYS 59 HB2 CYS 59 62.080 -4.803 2.237
494 2HB CYS 59 HB1 CYS 59 63.543 -4.456 1.332
495 H MET 60 HN MET 60 63.072 -1.582 0.459
496 HA MET 60 HA MET 60 65.872 -1.302 0.152
497 1HB MET 60 HB2 MET 60 64.124 -0.717 -1.583
498 2HB MET 60 HB1 MET 60 63.782 0.749 -0.662
499 1HG MET 60 HG2 MET 60 66.206 1.371 -0.875
500 2HG MET 60 HG1 MET 60 66.420 -0.015 -1.943
501 1HE MET 60 HE1 MET 60 65.193 -0.505 -3.906
502 2HE MET 60 HE2 MET 60 64.423 0.632 -5.011
503 3HE MET 60 HE3 MET 60 63.528 0.022 -3.620
504 H SER 61 HN SER 61 63.500 0.593 1.989
505 HA SER 61 HA SER 61 65.305 2.687 2.775
506 1HB SER 61 HB2 SER 61 63.690 3.179 4.516
507 2HB SER 61 HB1 SER 61 62.798 2.736 3.065
508 HG SER 61 HG SER 61 62.042 1.662 4.961
509 H CYS 62 HN CYS 62 64.696 -0.586 3.927
510 HA CYS 62 HA CYS 62 66.135 -0.403 6.403
511 1HB CYS 62 HB2 CYS 62 65.781 -2.816 4.579
512 2HB CYS 62 HB1 CYS 62 66.351 -2.861 6.231
513 H SER 63 HN SER 63 67.071 -0.666 3.080
514 HA SER 63 HA SER 63 69.716 -1.682 3.391
515 1HB SER 63 HB2 SER 63 70.165 -0.777 1.197
516 2HB SER 63 HB1 SER 63 68.510 -1.379 1.206
517 HG SER 63 HG SER 63 68.261 1.037 2.013
518 H ARG 64 HN ARG 64 68.403 1.512 4.016
519 HA ARG 64 HA ARG 64 70.788 3.038 3.910
520 1HB ARG 64 HB2 ARG 64 68.448 3.281 5.827
521 2HB ARG 64 HB1 ARG 64 69.696 4.508 5.612
522 1HG ARG 64 HG2 ARG 64 69.098 4.621 3.184
523 2HG ARG 64 HG1 ARG 64 67.770 3.504 3.499
524 1HD ARG 64 HD2 ARG 64 68.140 6.239 4.755
525 2HD ARG 64 HD1 ARG 64 66.937 5.806 3.541
526 HE ARG 64 HE ARG 64 66.348 4.040 5.524
527 1HH1 ARG 64 HH21 ARG 64 67.053 7.415 5.503
528 2HH1 ARG 64 HH22 ARG 64 66.056 7.768 6.875
529 1HH2 ARG 64 HH11 ARG 64 65.039 4.482 7.314
530 2HH2 ARG 64 HH12 ARG 64 64.915 6.108 7.898
531 H SER 65 HN SER 65 69.561 0.857 6.411
532 HA SER 65 HA SER 65 72.228 1.065 7.737
533 1HB SER 65 HB2 SER 65 71.171 0.976 9.926
534 2HB SER 65 HB1 SER 65 70.486 2.326 9.026
535 HG SER 65 HG SER 65 69.357 -0.113 9.770
536 H SER 66 HN SER 66 72.818 -0.904 8.927
537 HA SER 66 HA SER 66 72.268 -3.306 7.515
538 1HB SER 66 HB2 SER 66 73.157 -3.054 10.404
539 2HB SER 66 HB1 SER 66 73.380 -4.454 9.360
540 HG SER 66 HG SER 66 75.244 -3.120 9.453
541 H ARG 67 HN ARG 67 70.721 -1.863 10.341
542 HA ARG 67 HA ARG 67 68.336 -3.466 9.908
543 1HB ARG 67 HB2 ARG 67 69.754 -5.076 11.157
544 2HB ARG 67 HB1 ARG 67 69.940 -3.893 12.451
545 1HG ARG 67 HG2 ARG 67 68.194 -5.347 13.171
546 2HG ARG 67 HG1 ARG 67 67.386 -3.884 12.614
547 1HD ARG 67 HD2 ARG 67 66.955 -4.979 10.422
548 2HD ARG 67 HD1 ARG 67 67.721 -6.447 11.024
549 HE ARG 67 HE ARG 67 65.747 -5.882 12.895
550 1HH1 ARG 67 HH21 ARG 67 65.945 -6.325 9.481
551 2HH1 ARG 67 HH22 ARG 67 64.341 -6.963 9.338
552 1HH2 ARG 67 HH11 ARG 67 63.653 -6.709 12.728
553 2HH2 ARG 67 HH12 ARG 67 63.045 -7.182 11.176
Start of MODEL 9
1 H ALA 1 HT1 ALA 1 55.418 -6.367 -8.617
2 HA ALA 1 HA ALA 1 55.681 -4.602 -6.964
3 1HB ALA 1 HB1 ALA 1 57.715 -3.048 -8.089
4 2HB ALA 1 HB2 ALA 1 58.374 -4.682 -8.088
5 3HB ALA 1 HB3 ALA 1 57.819 -3.957 -6.580
6 H MET 2 HN MET 2 56.513 -4.631 -10.376
7 HA MET 2 HA MET 2 55.411 -2.138 -11.139
8 1HB MET 2 HB2 MET 2 55.678 -4.719 -12.701
9 2HB MET 2 HB1 MET 2 55.265 -3.162 -13.418
10 1HG MET 2 HG2 MET 2 57.394 -2.229 -12.469
11 2HG MET 2 HG1 MET 2 57.818 -3.856 -11.938
12 1HE MET 2 HE1 MET 2 57.512 -5.781 -13.295
13 2HE MET 2 HE2 MET 2 58.300 -5.958 -14.861
14 3HE MET 2 HE3 MET 2 56.579 -5.591 -14.784
15 H SER 3 HN SER 3 53.783 -5.247 -10.572
16 HA SER 3 HA SER 3 51.436 -4.799 -12.025
17 1HB SER 3 HB2 SER 3 51.606 -5.978 -9.238
18 2HB SER 3 HB1 SER 3 50.293 -6.225 -10.390
19 HG SER 3 HG SER 3 53.027 -6.910 -10.794
20 H TYR 4 HN TYR 4 52.121 -3.566 -8.672
21 HA TYR 4 HA TYR 4 50.268 -1.388 -9.371
22 1HB TYR 4 HB2 TYR 4 48.792 -3.128 -8.416
23 2HB TYR 4 HB1 TYR 4 49.711 -3.077 -6.920
24 HD1 TYR 4 HD1 TYR 4 47.563 -1.158 -9.207
25 HD2 TYR 4 HD2 TYR 4 49.464 -1.225 -5.363
26 HE1 TYR 4 HE1 TYR 4 46.219 0.800 -8.513
27 HE2 TYR 4 HE2 TYR 4 48.122 0.736 -4.662
28 HH TYR 4 HH TYR 4 46.640 2.269 -5.289
29 H SER 5 HN SER 5 50.773 0.546 -8.307
30 HA SER 5 HA SER 5 52.868 0.369 -6.177
31 1HB SER 5 HB2 SER 5 52.854 2.298 -8.475
32 2HB SER 5 HB1 SER 5 54.064 2.226 -7.211
33 HG SER 5 HG SER 5 53.522 0.395 -9.288
34 H LEU 6 HN LEU 6 52.868 2.124 -4.683
35 HA LEU 6 HA LEU 6 50.393 3.821 -4.750
36 1HB LEU 6 HB2 LEU 6 50.718 2.161 -2.873
37 2HB LEU 6 HB1 LEU 6 52.163 3.043 -2.427
38 HG LEU 6 HG LEU 6 50.796 5.064 -2.057
39 1HD1 LEU 6 HD11 LEU 6 48.246 4.325 -1.751
40 2HD1 LEU 6 HD12 LEU 6 48.681 3.153 -2.995
41 3HD1 LEU 6 HD13 LEU 6 48.839 4.880 -3.316
42 1HD2 LEU 6 HD21 LEU 6 50.695 2.521 -0.582
43 2HD2 LEU 6 HD22 LEU 6 49.349 3.588 -0.195
44 3HD2 LEU 6 HD23 LEU 6 51.010 4.148 0.019
45 H TYR 7 HN TYR 7 50.904 5.968 -5.308
46 HA TYR 7 HA TYR 7 53.610 6.862 -5.548
47 1HB TYR 7 HB2 TYR 7 51.717 7.879 -6.818
48 2HB TYR 7 HB1 TYR 7 51.196 8.659 -5.317
49 HD1 TYR 7 HD1 TYR 7 53.598 8.714 -8.045
50 HD2 TYR 7 HD2 TYR 7 52.799 10.171 -4.088
51 HE1 TYR 7 HE1 TYR 7 55.364 10.434 -8.322
52 HE2 TYR 7 HE2 TYR 7 54.540 11.914 -4.376
53 HH TYR 7 HH TYR 7 56.220 12.339 -7.464
54 H GLY 8 HN GLY 8 51.172 7.491 -3.001
55 1HA GLY 8 HA2 GLY 8 51.915 7.800 -0.695
56 2HA GLY 8 HA1 GLY 8 53.433 8.445 -1.302
57 H THR 9 HN THR 9 50.832 9.603 -3.119
58 HA THR 9 HA THR 9 51.123 12.314 -2.049
59 HB THR 9 HB THR 9 49.554 12.999 -3.766
60 HG1 THR 9 HG1 THR 9 48.493 11.435 -5.012
61 1HG2 THR 9 HG21 THR 9 51.966 12.116 -4.347
62 2HG2 THR 9 HG22 THR 9 50.837 12.561 -5.625
63 3HG2 THR 9 HG23 THR 9 51.058 10.865 -5.204
64 H THR 10 HN THR 10 48.935 13.556 -1.739
65 HA THR 10 HA THR 10 47.674 12.794 0.626
66 HB THR 10 HB THR 10 46.330 14.196 -1.715
67 HG1 THR 10 HG1 THR 10 48.419 14.893 -0.153
68 1HG2 THR 10 HG21 THR 10 45.820 14.930 1.118
69 2HG2 THR 10 HG22 THR 10 45.134 13.406 0.553
70 3HG2 THR 10 HG23 THR 10 44.719 14.915 -0.257
71 H LEU 11 HN LEU 11 47.019 11.833 -2.682
72 HA LEU 11 HA LEU 11 44.594 10.438 -2.349
73 1HB LEU 11 HB2 LEU 11 45.718 10.880 -4.512
74 2HB LEU 11 HB1 LEU 11 46.932 9.674 -4.092
75 HG LEU 11 HG LEU 11 45.013 8.020 -3.803
76 1HD1 LEU 11 HD11 LEU 11 43.006 9.116 -3.695
77 2HD1 LEU 11 HD12 LEU 11 43.069 8.946 -5.449
78 3HD1 LEU 11 HD13 LEU 11 43.569 10.458 -4.691
79 1HD2 LEU 11 HD21 LEU 11 44.848 7.589 -6.212
80 2HD2 LEU 11 HD22 LEU 11 46.491 8.084 -5.806
81 3HD2 LEU 11 HD23 LEU 11 45.387 9.233 -6.561
82 H GLU 12 HN GLU 12 47.898 9.511 -1.585
83 HA GLU 12 HA GLU 12 47.595 6.754 -1.124
84 1HB GLU 12 HB2 GLU 12 49.754 8.032 -0.908
85 2HB GLU 12 HB1 GLU 12 49.181 8.621 0.660
86 1HG GLU 12 HG2 GLU 12 48.829 6.251 1.364
87 2HG GLU 12 HG1 GLU 12 49.543 5.743 -0.155
88 H GLN 13 HN GLN 13 46.459 9.463 0.736
89 HA GLN 13 HA GLN 13 46.117 8.388 3.279
90 1HB GLN 13 HB2 GLN 13 44.260 10.165 1.676
91 2HB GLN 13 HB1 GLN 13 44.168 9.942 3.426
92 1HG GLN 13 HG2 GLN 13 46.398 10.825 3.721
93 2HG GLN 13 HG1 GLN 13 46.653 10.903 1.982
94 1HE2 GLN 13 HE21 GLN 13 47.048 13.302 2.789
95 2HE2 GLN 13 HE22 GLN 13 45.691 14.311 2.679
96 H GLN 14 HN GLN 14 44.148 7.781 0.356
97 HA GLN 14 HA GLN 14 42.023 6.395 1.661
98 1HB GLN 14 HB2 GLN 14 42.120 6.989 -0.802
99 2HB GLN 14 HB1 GLN 14 43.262 5.663 -1.014
100 1HG GLN 14 HG2 GLN 14 41.597 4.070 -0.157
101 2HG GLN 14 HG1 GLN 14 40.455 5.390 0.100
102 1HE2 GLN 14 HE21 GLN 14 39.564 3.417 -1.600
103 2HE2 GLN 14 HE22 GLN 14 39.622 3.934 -3.215
104 H TYR 15 HN TYR 15 45.222 5.327 0.530
105 HA TYR 15 HA TYR 15 44.922 2.596 1.392
106 1HB TYR 15 HB2 TYR 15 47.295 4.278 0.632
107 2HB TYR 15 HB1 TYR 15 47.511 2.663 1.303
108 HD1 TYR 15 HD1 TYR 15 48.006 1.131 -0.357
109 HD2 TYR 15 HD2 TYR 15 45.035 4.145 -1.117
110 HE1 TYR 15 HE1 TYR 15 47.524 0.092 -2.550
111 HE2 TYR 15 HE2 TYR 15 44.558 3.111 -3.321
112 HH TYR 15 HH TYR 15 45.237 1.588 -4.825
113 H ASN 16 HN ASN 16 45.968 5.547 2.983
114 HA ASN 16 HA ASN 16 47.455 4.502 5.108
115 1HB ASN 16 HB2 ASN 16 47.032 6.926 4.603
116 2HB ASN 16 HB1 ASN 16 45.473 6.757 5.411
117 1HD2 ASN 16 HD21 ASN 16 46.386 8.349 7.037
118 2HD2 ASN 16 HD22 ASN 16 47.403 7.768 8.264
119 H LYS 17 HN LYS 17 43.862 4.698 4.959
120 HA LYS 17 HA LYS 17 43.600 3.770 7.677
121 1HB LYS 17 HB2 LYS 17 41.747 4.958 6.742
122 2HB LYS 17 HB1 LYS 17 41.590 3.820 5.417
123 1HG LYS 17 HG2 LYS 17 41.516 2.535 8.053
124 2HG LYS 17 HG1 LYS 17 40.207 3.688 7.804
125 1HD LYS 17 HD2 LYS 17 40.877 1.654 5.687
126 2HD LYS 17 HD1 LYS 17 39.839 1.228 7.044
127 1HE LYS 17 HE2 LYS 17 39.316 3.684 5.370
128 2HE LYS 17 HE1 LYS 17 38.674 2.104 4.920
129 1HZ LYS 17 HZ1 LYS 17 37.866 2.064 7.353
130 2HZ LYS 17 HZ2 LYS 17 37.000 2.977 6.211
131 3HZ LYS 17 HZ3 LYS 17 38.067 3.747 7.286
132 HA PRO 18 HA PRO 18 42.826 -0.598 5.754
133 1HB PRO 18 HB2 PRO 18 43.528 -1.042 3.182
134 2HB PRO 18 HB1 PRO 18 41.943 -0.369 3.625
135 1HG PRO 18 HG2 PRO 18 44.416 1.061 2.760
136 2HG PRO 18 HG1 PRO 18 42.758 1.238 2.148
137 1HD PRO 18 HD2 PRO 18 43.736 2.964 3.954
138 2HD PRO 18 HD1 PRO 18 42.052 2.420 4.023
139 H LEU 19 HN LEU 19 45.760 1.162 5.715
140 HA LEU 19 HA LEU 19 47.552 -0.654 4.583
141 1HB LEU 19 HB2 LEU 19 48.020 0.864 7.160
142 2HB LEU 19 HB1 LEU 19 49.275 0.103 6.180
143 HG LEU 19 HG LEU 19 47.451 2.373 5.361
144 1HD1 LEU 19 HD11 LEU 19 49.464 2.910 6.776
145 2HD1 LEU 19 HD12 LEU 19 49.515 3.640 5.171
146 3HD1 LEU 19 HD13 LEU 19 50.475 2.202 5.514
147 1HD2 LEU 19 HD21 LEU 19 49.253 0.551 3.789
148 2HD2 LEU 19 HD22 LEU 19 49.048 2.227 3.278
149 3HD2 LEU 19 HD23 LEU 19 47.653 1.155 3.366
150 H SER 20 HN SER 20 46.065 -0.897 7.848
151 HA SER 20 HA SER 20 47.478 -3.330 8.486
152 1HB SER 20 HB2 SER 20 44.631 -2.594 9.259
153 2HB SER 20 HB1 SER 20 45.671 -3.756 10.077
154 HG SER 20 HG SER 20 46.161 -0.969 9.786
155 H ASP 21 HN ASP 21 44.530 -2.528 6.739
156 HA ASP 21 HA ASP 21 43.713 -5.192 6.035
157 1HB ASP 21 HB2 ASP 21 43.174 -2.516 4.742
158 2HB ASP 21 HB1 ASP 21 42.392 -4.008 4.258
159 H LEU 22 HN LEU 22 45.845 -2.819 4.523
160 HA LEU 22 HA LEU 22 46.169 -4.344 2.078
161 1HB LEU 22 HB2 LEU 22 47.985 -2.174 3.155
162 2HB LEU 22 HB1 LEU 22 47.916 -2.763 1.499
163 HG LEU 22 HG LEU 22 45.734 -1.280 2.983
164 1HD1 LEU 22 HD11 LEU 22 47.874 -0.268 1.658
165 2HD1 LEU 22 HD12 LEU 22 46.307 0.540 1.745
166 3HD1 LEU 22 HD13 LEU 22 46.720 -0.435 0.335
167 1HD2 LEU 22 HD21 LEU 22 45.725 -2.863 0.430
168 2HD2 LEU 22 HD22 LEU 22 44.694 -1.440 0.579
169 3HD2 LEU 22 HD23 LEU 22 44.499 -2.792 1.696
170 H LEU 23 HN LEU 23 48.252 -5.283 1.425
171 HA LEU 23 HA LEU 23 49.231 -7.030 3.554
172 1HB LEU 23 HB2 LEU 23 50.339 -6.689 0.748
173 2HB LEU 23 HB1 LEU 23 50.521 -8.085 1.792
174 HG LEU 23 HG LEU 23 48.516 -8.975 1.148
175 1HD1 LEU 23 HD11 LEU 23 47.188 -7.111 2.239
176 2HD1 LEU 23 HD12 LEU 23 46.457 -7.781 0.789
177 3HD1 LEU 23 HD13 LEU 23 47.292 -6.234 0.702
178 1HD2 LEU 23 HD21 LEU 23 48.079 -8.578 -1.152
179 2HD2 LEU 23 HD22 LEU 23 49.785 -8.180 -0.936
180 3HD2 LEU 23 HD23 LEU 23 48.584 -6.890 -1.034
181 H ILE 24 HN ILE 24 50.998 -6.408 4.844
182 HA ILE 24 HA ILE 24 52.880 -4.448 3.576
183 HB ILE 24 HB ILE 24 52.202 -4.648 6.522
184 1HG1 ILE 24 HG12 ILE 24 50.263 -3.827 5.273
185 2HG1 ILE 24 HG11 ILE 24 51.011 -2.482 6.124
186 1HG2 ILE 24 HG21 ILE 24 53.342 -2.163 5.511
187 2HG2 ILE 24 HG22 ILE 24 54.405 -3.536 5.203
188 3HG2 ILE 24 HG23 ILE 24 53.885 -3.176 6.849
189 1HD1 ILE 24 HD11 ILE 24 50.878 -1.477 4.077
190 2HD1 ILE 24 HD12 ILE 24 50.840 -3.009 3.212
191 3HD1 ILE 24 HD13 ILE 24 52.375 -2.358 3.785
192 H ARG 25 HN ARG 25 54.792 -5.372 3.185
193 HA ARG 25 HA ARG 25 56.242 -6.727 5.303
194 1HB ARG 25 HB2 ARG 25 55.471 -8.294 2.840
195 2HB ARG 25 HB1 ARG 25 56.781 -8.752 3.914
196 1HG ARG 25 HG2 ARG 25 55.119 -8.784 5.812
197 2HG ARG 25 HG1 ARG 25 53.842 -8.527 4.614
198 1HD ARG 25 HD2 ARG 25 54.782 -10.563 3.376
199 2HD ARG 25 HD1 ARG 25 55.744 -10.869 4.815
200 HE ARG 25 HE ARG 25 53.053 -10.576 5.658
201 1HH1 ARG 25 HH21 ARG 25 55.071 -12.613 3.740
202 2HH1 ARG 25 HH22 ARG 25 54.142 -14.042 4.040
203 1HH2 ARG 25 HH11 ARG 25 51.823 -12.436 6.058
204 2HH2 ARG 25 HH12 ARG 25 52.305 -13.942 5.351
205 H CYS 26 HN CYS 26 58.456 -6.566 4.964
206 HA CYS 26 HA CYS 26 59.408 -4.825 2.810
207 1HB CYS 26 HB2 CYS 26 60.590 -6.383 5.044
208 2HB CYS 26 HB1 CYS 26 61.642 -5.848 3.777
209 H ILE 27 HN ILE 27 60.782 -5.604 1.047
210 HA ILE 27 HA ILE 27 60.267 -8.310 0.207
211 HB ILE 27 HB ILE 27 61.124 -6.399 -1.282
212 1HG1 ILE 27 HG12 ILE 27 62.826 -8.880 -1.426
213 2HG1 ILE 27 HG11 ILE 27 61.089 -8.953 -1.707
214 1HG2 ILE 27 HG21 ILE 27 63.338 -5.733 -1.171
215 2HG2 ILE 27 HG22 ILE 27 63.873 -7.273 -0.497
216 3HG2 ILE 27 HG23 ILE 27 63.064 -6.093 0.533
217 1HD1 ILE 27 HD11 ILE 27 62.347 -8.657 -3.830
218 2HD1 ILE 27 HD12 ILE 27 63.025 -7.155 -3.200
219 3HD1 ILE 27 HD13 ILE 27 61.292 -7.283 -3.502
220 H ASN 28 HN ASN 28 62.513 -6.711 2.304
221 HA ASN 28 HA ASN 28 64.095 -9.198 2.694
222 1HB ASN 28 HB2 ASN 28 65.821 -7.766 2.992
223 2HB ASN 28 HB1 ASN 28 64.734 -6.415 2.746
224 1HD2 ASN 28 HD21 ASN 28 65.539 -5.032 4.403
225 2HD2 ASN 28 HD22 ASN 28 65.504 -5.426 6.050
226 H CYS 29 HN CYS 29 62.752 -6.652 4.823
227 HA CYS 29 HA CYS 29 62.529 -8.572 7.010
228 1HB CYS 29 HB2 CYS 29 61.242 -5.868 7.147
229 2HB CYS 29 HB1 CYS 29 62.106 -6.752 8.402
230 H GLN 30 HN GLN 30 61.080 -9.969 5.786
231 HA GLN 30 HA GLN 30 58.504 -9.412 4.908
232 1HB GLN 30 HB2 GLN 30 59.401 -11.896 6.391
233 2HB GLN 30 HB1 GLN 30 57.983 -11.772 5.343
234 1HG GLN 30 HG2 GLN 30 60.865 -11.386 4.527
235 2HG GLN 30 HG1 GLN 30 59.815 -12.707 4.076
236 1HE2 GLN 30 HE21 GLN 30 61.053 -9.968 2.901
237 2HE2 GLN 30 HE22 GLN 30 59.835 -9.478 1.853
238 H LYS 31 HN LYS 31 59.694 -9.837 8.161
239 HA LYS 31 HA LYS 31 57.224 -10.162 9.512
240 1HB LYS 31 HB2 LYS 31 58.327 -9.390 11.477
241 2HB LYS 31 HB1 LYS 31 59.611 -10.125 10.517
242 1HG LYS 31 HG2 LYS 31 60.074 -7.821 9.563
243 2HG LYS 31 HG1 LYS 31 58.969 -7.178 10.778
244 1HD LYS 31 HD2 LYS 31 60.347 -8.060 12.575
245 2HD LYS 31 HD1 LYS 31 61.400 -8.873 11.417
246 1HE LYS 31 HE2 LYS 31 61.149 -6.060 10.763
247 2HE LYS 31 HE1 LYS 31 61.702 -6.263 12.426
248 1HZ LYS 31 HZ1 LYS 31 63.689 -6.836 11.681
249 2HZ LYS 31 HZ2 LYS 31 63.174 -6.570 10.083
250 3HZ LYS 31 HZ3 LYS 31 63.030 -8.113 10.780
251 HA PRO 32 HA PRO 32 54.885 -6.515 8.731
252 1HB PRO 32 HB2 PRO 32 54.940 -6.064 11.702
253 2HB PRO 32 HB1 PRO 32 53.563 -5.997 10.580
254 1HG PRO 32 HG2 PRO 32 53.911 -8.119 12.096
255 2HG PRO 32 HG1 PRO 32 53.420 -8.302 10.411
256 1HD PRO 32 HD2 PRO 32 56.089 -8.824 11.662
257 2HD PRO 32 HD1 PRO 32 55.292 -9.647 10.299
258 H LEU 33 HN LEU 33 55.260 -4.302 8.451
259 HA LEU 33 HA LEU 33 58.010 -3.409 9.087
260 1HB LEU 33 HB2 LEU 33 56.883 -3.318 6.778
261 2HB LEU 33 HB1 LEU 33 55.918 -2.008 7.431
262 HG LEU 33 HG LEU 33 58.345 -1.139 8.161
263 1HD1 LEU 33 HD11 LEU 33 58.733 -2.888 5.725
264 2HD1 LEU 33 HD12 LEU 33 59.608 -2.969 7.255
265 3HD1 LEU 33 HD13 LEU 33 59.858 -1.605 6.165
266 1HD2 LEU 33 HD21 LEU 33 57.038 -0.832 5.436
267 2HD2 LEU 33 HD22 LEU 33 58.318 0.217 6.048
268 3HD2 LEU 33 HD23 LEU 33 56.758 0.169 6.853
269 H SER 34 HN SER 34 58.473 -1.993 10.593
270 HA SER 34 HA SER 34 56.610 -1.090 12.473
271 1HB SER 34 HB2 SER 34 59.305 -1.085 12.399
272 2HB SER 34 HB1 SER 34 59.022 0.586 11.922
273 HG SER 34 HG SER 34 57.406 -0.068 13.956
274 HA PRO 35 HA PRO 35 54.628 1.825 9.899
275 1HB PRO 35 HB2 PRO 35 53.606 3.447 11.912
276 2HB PRO 35 HB1 PRO 35 52.852 1.999 11.223
277 1HG PRO 35 HG2 PRO 35 54.263 2.330 13.769
278 2HG PRO 35 HG1 PRO 35 53.000 1.188 13.301
279 1HD PRO 35 HD2 PRO 35 55.658 0.528 13.574
280 2HD PRO 35 HD1 PRO 35 54.482 -0.384 12.602
281 H GLU 36 HN GLU 36 57.238 2.536 11.934
282 HA GLU 36 HA GLU 36 57.326 5.405 11.510
283 1HB GLU 36 HB2 GLU 36 59.571 3.414 12.000
284 2HB GLU 36 HB1 GLU 36 59.761 5.167 12.038
285 1HG GLU 36 HG2 GLU 36 57.902 3.565 13.820
286 2HG GLU 36 HG1 GLU 36 59.449 4.255 14.313
287 H GLU 37 HN GLU 37 58.623 2.589 9.800
288 HA GLU 37 HA GLU 37 59.818 4.143 7.664
289 1HB GLU 37 HB2 GLU 37 59.043 1.218 7.850
290 2HB GLU 37 HB1 GLU 37 59.940 1.924 6.503
291 1HG GLU 37 HG2 GLU 37 61.685 2.693 8.099
292 2HG GLU 37 HG1 GLU 37 60.806 1.907 9.409
293 H LYS 38 HN LYS 38 56.688 2.591 8.238
294 HA LYS 38 HA LYS 38 55.620 2.879 5.619
295 1HB LYS 38 HB2 LYS 38 54.170 3.177 8.268
296 2HB LYS 38 HB1 LYS 38 53.396 2.966 6.707
297 1HG LYS 38 HG2 LYS 38 54.509 0.760 6.480
298 2HG LYS 38 HG1 LYS 38 55.183 0.954 8.098
299 1HD LYS 38 HD2 LYS 38 52.800 1.293 8.933
300 2HD LYS 38 HD1 LYS 38 52.255 0.814 7.328
301 1HE LYS 38 HE2 LYS 38 54.138 -1.118 8.114
302 2HE LYS 38 HE1 LYS 38 53.110 -0.855 9.515
303 1HZ LYS 38 HZ1 LYS 38 51.723 -2.238 8.478
304 2HZ LYS 38 HZ2 LYS 38 52.480 -2.046 6.969
305 3HZ LYS 38 HZ3 LYS 38 51.336 -0.909 7.499
306 H GLN 39 HN GLN 39 55.911 4.932 8.422
307 HA GLN 39 HA GLN 39 54.399 7.075 7.446
308 1HB GLN 39 HB2 GLN 39 55.116 6.935 9.794
309 2HB GLN 39 HB1 GLN 39 56.781 7.264 9.293
310 1HG GLN 39 HG2 GLN 39 55.662 9.349 10.001
311 2HG GLN 39 HG1 GLN 39 56.044 9.398 8.275
312 1HE2 GLN 39 HE21 GLN 39 54.303 8.919 6.762
313 2HE2 GLN 39 HE22 GLN 39 52.684 9.138 7.196
314 H ARG 40 HN ARG 40 57.872 6.411 6.994
315 HA ARG 40 HA ARG 40 58.404 8.899 5.680
316 1HB ARG 40 HB2 ARG 40 59.716 6.191 5.314
317 2HB ARG 40 HB1 ARG 40 60.361 7.710 4.690
318 1HG ARG 40 HG2 ARG 40 60.395 8.610 7.019
319 2HG ARG 40 HG1 ARG 40 59.868 7.031 7.605
320 1HD ARG 40 HD2 ARG 40 61.898 6.031 6.484
321 2HD ARG 40 HD1 ARG 40 62.450 7.673 6.155
322 HE ARG 40 HE ARG 40 61.931 7.617 8.900
323 1HH1 ARG 40 HH21 ARG 40 63.866 5.911 6.611
324 2HH1 ARG 40 HH22 ARG 40 65.116 5.534 7.750
325 1HH2 ARG 40 HH11 ARG 40 63.553 7.135 10.399
326 2HH2 ARG 40 HH12 ARG 40 64.938 6.227 9.893
327 H HIS 41 HN HIS 41 57.316 5.732 4.377
328 HA HIS 41 HA HIS 41 57.279 6.885 1.679
329 1HB HIS 41 HB2 HIS 41 56.424 4.794 0.874
330 2HB HIS 41 HB1 HIS 41 57.609 4.371 2.097
331 HD1 HIS 41 HD1 HIS 41 53.978 5.450 2.558
332 HD2 HIS 41 HD2 HIS 41 56.449 2.180 3.296
333 HE1 HIS 41 HE1 HIS 41 52.572 3.764 3.819
334 H LEU 42 HN LEU 42 55.072 6.345 4.297
335 HA LEU 42 HA LEU 42 52.656 6.798 2.884
336 1HB LEU 42 HB2 LEU 42 52.848 5.920 5.236
337 2HB LEU 42 HB1 LEU 42 53.254 7.558 5.740
338 HG LEU 42 HG LEU 42 51.073 8.314 4.705
339 1HD1 LEU 42 HD11 LEU 42 51.106 5.566 3.847
340 2HD1 LEU 42 HD12 LEU 42 49.925 6.818 3.460
341 3HD1 LEU 42 HD13 LEU 42 49.707 5.813 4.893
342 1HD2 LEU 42 HD21 LEU 42 50.562 8.244 6.915
343 2HD2 LEU 42 HD22 LEU 42 51.558 6.808 7.161
344 3HD2 LEU 42 HD23 LEU 42 49.885 6.640 6.626
345 H ASP 43 HN ASP 43 54.987 8.997 4.407
346 HA ASP 43 HA ASP 43 53.403 11.338 3.992
347 1HB ASP 43 HB2 ASP 43 56.387 10.999 4.314
348 2HB ASP 43 HB1 ASP 43 55.573 12.564 4.289
349 H LYS 44 HN LYS 44 56.197 10.107 2.076
350 HA LYS 44 HA LYS 44 54.905 10.834 -0.427
351 1HB LYS 44 HB2 LYS 44 57.213 12.640 0.368
352 2HB LYS 44 HB1 LYS 44 56.430 12.598 -1.201
353 1HG LYS 44 HG2 LYS 44 55.084 13.441 1.385
354 2HG LYS 44 HG1 LYS 44 55.714 14.522 0.164
355 1HD LYS 44 HD2 LYS 44 54.218 13.529 -1.533
356 2HD LYS 44 HD1 LYS 44 53.499 12.496 -0.309
357 1HE LYS 44 HE2 LYS 44 52.021 14.201 -0.033
358 2HE LYS 44 HE1 LYS 44 53.325 14.976 0.869
359 1HZ LYS 44 HZ1 LYS 44 52.613 16.503 -0.767
360 2HZ LYS 44 HZ2 LYS 44 52.644 15.329 -1.995
361 3HZ LYS 44 HZ3 LYS 44 54.096 15.888 -1.311
362 H LYS 45 HN LYS 45 55.720 8.607 -0.785
363 HA LYS 45 HA LYS 45 58.683 8.412 -0.922
364 1HB LYS 45 HB2 LYS 45 57.250 6.431 -0.231
365 2HB LYS 45 HB1 LYS 45 56.744 6.324 -1.905
366 1HG LYS 45 HG2 LYS 45 59.116 6.188 -2.603
367 2HG LYS 45 HG1 LYS 45 59.602 6.236 -0.908
368 1HD LYS 45 HD2 LYS 45 58.286 4.198 -0.476
369 2HD LYS 45 HD1 LYS 45 57.865 4.125 -2.184
370 1HE LYS 45 HE2 LYS 45 59.715 2.712 -2.141
371 2HE LYS 45 HE1 LYS 45 60.490 4.253 -2.508
372 1HZ LYS 45 HZ1 LYS 45 61.732 3.768 -0.727
373 2HZ LYS 45 HZ2 LYS 45 60.616 2.647 -0.109
374 3HZ LYS 45 HZ3 LYS 45 60.398 4.309 0.169
375 H GLN 46 HN GLN 46 59.853 8.515 -2.845
376 HA GLN 46 HA GLN 46 58.658 9.751 -5.118
377 1HB GLN 46 HB2 GLN 46 61.149 8.016 -4.938
378 2HB GLN 46 HB1 GLN 46 60.733 9.042 -6.313
379 1HG GLN 46 HG2 GLN 46 60.775 11.025 -4.870
380 2HG GLN 46 HG1 GLN 46 61.146 10.015 -3.474
381 1HE2 GLN 46 HE21 GLN 46 62.976 11.969 -4.026
382 2HE2 GLN 46 HE22 GLN 46 64.382 11.318 -4.719
383 H ARG 47 HN ARG 47 59.245 6.358 -4.262
384 HA ARG 47 HA ARG 47 57.108 5.568 -6.114
385 1HB ARG 47 HB2 ARG 47 59.944 4.579 -6.425
386 2HB ARG 47 HB1 ARG 47 58.545 3.823 -7.190
387 1HG ARG 47 HG2 ARG 47 58.003 6.016 -8.258
388 2HG ARG 47 HG1 ARG 47 59.493 6.674 -7.582
389 1HD ARG 47 HD2 ARG 47 60.760 4.867 -8.772
390 2HD ARG 47 HD1 ARG 47 59.251 4.386 -9.548
391 HE ARG 47 HE ARG 47 59.237 6.486 -10.743
392 1HH1 ARG 47 HH21 ARG 47 61.972 5.982 -8.685
393 2HH1 ARG 47 HH22 ARG 47 62.924 7.215 -9.439
394 1HH2 ARG 47 HH11 ARG 47 60.476 8.094 -11.726
395 2HH2 ARG 47 HH12 ARG 47 62.080 8.407 -11.155
396 H PHE 48 HN PHE 48 55.885 4.195 -4.969
397 HA PHE 48 HA PHE 48 57.233 2.308 -3.073
398 1HB PHE 48 HB2 PHE 48 55.522 4.198 -2.243
399 2HB PHE 48 HB1 PHE 48 54.324 3.053 -2.824
400 HD1 PHE 48 HD1 PHE 48 53.300 2.324 -0.824
401 HD2 PHE 48 HD2 PHE 48 57.591 2.251 -1.090
402 HE1 PHE 48 HE1 PHE 48 53.415 1.102 1.308
403 HE2 PHE 48 HE2 PHE 48 57.690 1.023 1.040
404 HZ PHE 48 HZ PHE 48 55.606 0.457 2.244
405 H HIS 49 HN HIS 49 56.870 0.109 -3.593
406 HA HIS 49 HA HIS 49 55.058 -0.282 -5.941
407 1HB HIS 49 HB2 HIS 49 57.491 -1.858 -5.090
408 2HB HIS 49 HB1 HIS 49 56.480 -2.224 -6.487
409 HD1 HIS 49 HD1 HIS 49 56.225 -0.081 -8.225
410 HD2 HIS 49 HD2 HIS 49 59.535 -0.093 -5.689
411 HE1 HIS 49 HE1 HIS 49 57.900 1.534 -9.225
412 H ASN 50 HN ASN 50 53.546 -1.853 -5.976
413 HA ASN 50 HA ASN 50 53.147 -3.414 -3.466
414 1HB ASN 50 HB2 ASN 50 51.345 -1.809 -3.990
415 2HB ASN 50 HB1 ASN 50 51.119 -2.598 -5.529
416 1HD2 ASN 50 HD21 ASN 50 51.309 -3.547 -2.071
417 2HD2 ASN 50 HD22 ASN 50 50.055 -4.685 -2.157
418 H ILE 51 HN ILE 51 53.291 -5.546 -3.593
419 HA ILE 51 HA ILE 51 52.972 -6.878 -6.249
420 HB ILE 51 HB ILE 51 54.598 -7.839 -3.867
421 1HG1 ILE 51 HG12 ILE 51 55.492 -6.748 -6.543
422 2HG1 ILE 51 HG11 ILE 51 55.589 -5.872 -5.019
423 1HG2 ILE 51 HG21 ILE 51 55.338 -9.159 -6.237
424 2HG2 ILE 51 HG22 ILE 51 53.576 -9.124 -6.263
425 3HG2 ILE 51 HG23 ILE 51 54.423 -9.841 -4.893
426 1HD1 ILE 51 HD11 ILE 51 56.971 -7.803 -4.128
427 2HD1 ILE 51 HD12 ILE 51 57.748 -6.848 -5.392
428 3HD1 ILE 51 HD13 ILE 51 57.037 -8.413 -5.781
429 H ARG 52 HN ARG 52 51.430 -8.594 -6.238
430 HA ARG 52 HA ARG 52 49.374 -8.468 -4.337
431 1HB ARG 52 HB2 ARG 52 50.265 -10.873 -5.961
432 2HB ARG 52 HB1 ARG 52 48.710 -10.734 -5.137
433 1HG ARG 52 HG2 ARG 52 48.227 -8.683 -6.475
434 2HG ARG 52 HG1 ARG 52 49.738 -8.933 -7.351
435 1HD ARG 52 HD2 ARG 52 48.888 -11.230 -7.981
436 2HD ARG 52 HD1 ARG 52 47.329 -10.769 -7.295
437 HE ARG 52 HE ARG 52 48.410 -9.858 -9.842
438 1HH1 ARG 52 HH21 ARG 52 46.382 -9.148 -7.144
439 2HH1 ARG 52 HH22 ARG 52 45.382 -8.038 -8.021
440 1HH2 ARG 52 HH11 ARG 52 47.116 -8.414 -10.998
441 2HH2 ARG 52 HH12 ARG 52 45.797 -7.624 -10.203
442 H GLY 53 HN GLY 53 48.998 -9.466 -2.380
443 1HA GLY 53 HA2 GLY 53 49.430 -10.674 -0.425
444 2HA GLY 53 HA1 GLY 53 50.548 -11.661 -1.360
445 H ARG 54 HN ARG 54 52.217 -9.259 -2.143
446 HA ARG 54 HA ARG 54 53.371 -8.688 0.562
447 1HB ARG 54 HB2 ARG 54 54.853 -9.464 -1.961
448 2HB ARG 54 HB1 ARG 54 55.629 -8.910 -0.478
449 1HG ARG 54 HG2 ARG 54 54.527 -10.785 0.752
450 2HG ARG 54 HG1 ARG 54 53.884 -11.370 -0.783
451 1HD ARG 54 HD2 ARG 54 56.817 -11.057 -0.080
452 2HD ARG 54 HD1 ARG 54 55.940 -12.580 -0.232
453 HE ARG 54 HE ARG 54 55.988 -10.813 -2.609
454 1HH1 ARG 54 HH21 ARG 54 57.108 -13.591 -0.893
455 2HH1 ARG 54 HH22 ARG 54 57.749 -14.364 -2.302
456 1HH2 ARG 54 HH11 ARG 54 56.820 -11.812 -4.455
457 2HH2 ARG 54 HH12 ARG 54 57.587 -13.358 -4.318
458 H TRP 55 HN TRP 55 54.403 -6.672 0.827
459 HA TRP 55 HA TRP 55 53.962 -4.737 -1.406
460 1HB TRP 55 HB2 TRP 55 53.189 -4.592 1.333
461 2HB TRP 55 HB1 TRP 55 54.444 -3.385 1.075
462 HD1 TRP 55 HD1 TRP 55 50.824 -4.119 0.256
463 HE1 TRP 55 HE1 TRP 55 49.876 -2.234 -1.210
464 HE3 TRP 55 HE3 TRP 55 55.122 -1.594 -0.797
465 HZ2 TRP 55 HZ2 TRP 55 50.822 0.025 -2.681
466 HZ3 TRP 55 HZ3 TRP 55 55.062 0.420 -2.215
467 HH2 TRP 55 HH2 TRP 55 52.934 1.238 -3.158
468 H THR 56 HN THR 56 55.732 -3.394 -1.991
469 HA THR 56 HA THR 56 58.298 -3.998 -0.612
470 HB THR 56 HB THR 56 59.437 -4.338 -2.688
471 HG1 THR 56 HG1 THR 56 58.349 -2.789 -3.914
472 1HG2 THR 56 HG21 THR 56 58.457 -6.363 -3.387
473 2HG2 THR 56 HG22 THR 56 56.820 -5.778 -3.086
474 3HG2 THR 56 HG23 THR 56 57.883 -6.168 -1.733
475 H GLY 57 HN GLY 57 60.074 -2.527 -1.332
476 1HA GLY 57 HA2 GLY 57 60.833 -0.363 -2.110
477 2HA GLY 57 HA1 GLY 57 59.165 0.215 -2.042
478 H ARG 58 HN ARG 58 58.755 -1.124 0.551
479 HA ARG 58 HA ARG 58 59.472 1.024 2.313
480 1HB ARG 58 HB2 ARG 58 58.622 -0.441 4.051
481 2HB ARG 58 HB1 ARG 58 57.534 -0.444 2.672
482 1HG ARG 58 HG2 ARG 58 58.909 -2.512 1.889
483 2HG ARG 58 HG1 ARG 58 59.464 -2.587 3.564
484 1HD ARG 58 HD2 ARG 58 57.463 -3.957 3.272
485 2HD ARG 58 HD1 ARG 58 57.106 -2.618 4.325
486 HE ARG 58 HE ARG 58 56.371 -2.618 1.428
487 1HH1 ARG 58 HH21 ARG 58 55.709 -2.030 4.778
488 2HH1 ARG 58 HH22 ARG 58 54.234 -1.189 4.463
489 1HH2 ARG 58 HH11 ARG 58 54.442 -1.516 1.029
490 2HH2 ARG 58 HH12 ARG 58 53.514 -0.906 2.358
491 H CYS 59 HN CYS 59 60.881 -2.152 1.688
492 HA CYS 59 HA CYS 59 62.694 -2.042 3.864
493 1HB CYS 59 HB2 CYS 59 62.177 -3.996 2.159
494 2HB CYS 59 HB1 CYS 59 63.589 -3.329 1.326
495 H MET 60 HN MET 60 62.736 -0.537 0.696
496 HA MET 60 HA MET 60 65.478 0.171 0.581
497 1HB MET 60 HB2 MET 60 63.740 0.656 -1.206
498 2HB MET 60 HB1 MET 60 63.155 1.973 -0.188
499 1HG MET 60 HG2 MET 60 65.481 2.929 -0.204
500 2HG MET 60 HG1 MET 60 65.928 1.689 -1.375
501 1HE MET 60 HE1 MET 60 63.023 1.683 -3.366
502 2HE MET 60 HE2 MET 60 64.684 1.110 -3.248
503 3HE MET 60 HE3 MET 60 64.252 2.283 -4.489
504 H SER 61 HN SER 61 62.744 1.510 2.381
505 HA SER 61 HA SER 61 64.145 3.763 3.480
506 1HB SER 61 HB2 SER 61 62.347 3.863 5.101
507 2HB SER 61 HB1 SER 61 61.645 3.426 3.547
508 HG SER 61 HG SER 61 60.839 2.013 5.047
509 H CYS 62 HN CYS 62 63.997 0.335 4.305
510 HA CYS 62 HA CYS 62 65.123 0.518 6.926
511 1HB CYS 62 HB2 CYS 62 65.345 -1.724 4.871
512 2HB CYS 62 HB1 CYS 62 65.895 -1.832 6.532
513 H SER 63 HN SER 63 66.526 0.671 3.724
514 HA SER 63 HA SER 63 69.186 1.119 5.039
515 1HB SER 63 HB2 SER 63 70.272 0.032 3.147
516 2HB SER 63 HB1 SER 63 69.085 -1.065 3.845
517 HG SER 63 HG SER 63 68.420 0.690 1.736
518 H ARG 64 HN ARG 64 70.602 2.609 3.918
519 HA ARG 64 HA ARG 64 69.172 4.410 2.004
520 1HB ARG 64 HB2 ARG 64 71.109 5.172 4.212
521 2HB ARG 64 HB1 ARG 64 70.485 6.288 2.999
522 1HG ARG 64 HG2 ARG 64 68.163 5.740 3.763
523 2HG ARG 64 HG1 ARG 64 68.860 4.761 5.053
524 1HD ARG 64 HD2 ARG 64 69.285 7.733 4.629
525 2HD ARG 64 HD1 ARG 64 68.341 6.987 5.917
526 HE ARG 64 HE ARG 64 71.270 7.134 5.786
527 1HH1 ARG 64 HH21 ARG 64 68.448 5.643 7.089
528 2HH1 ARG 64 HH22 ARG 64 69.249 5.068 8.514
529 1HH2 ARG 64 HH11 ARG 64 72.331 6.394 7.632
530 2HH2 ARG 64 HH12 ARG 64 71.450 5.493 8.821
531 H SER 65 HN SER 65 70.508 5.301 0.322
532 HA SER 65 HA SER 65 72.544 3.605 -0.689
533 1HB SER 65 HB2 SER 65 71.283 5.332 -2.017
534 2HB SER 65 HB1 SER 65 72.254 6.575 -1.234
535 HG SER 65 HG SER 65 73.134 5.913 -3.245
536 H SER 66 HN SER 66 72.719 6.424 1.428
537 HA SER 66 HA SER 66 75.595 5.763 1.898
538 1HB SER 66 HB2 SER 66 76.118 8.136 2.057
539 2HB SER 66 HB1 SER 66 75.355 7.828 0.500
540 HG SER 66 HG SER 66 73.639 8.399 2.591
541 H ARG 67 HN ARG 67 76.322 6.347 4.087
542 HA ARG 67 HA ARG 67 74.081 6.168 6.026
543 1HB ARG 67 HB2 ARG 67 75.998 4.561 6.182
544 2HB ARG 67 HB1 ARG 67 77.063 5.927 6.522
545 1HG ARG 67 HG2 ARG 67 75.669 6.500 8.495
546 2HG ARG 67 HG1 ARG 67 74.661 5.089 8.174
547 1HD ARG 67 HD2 ARG 67 76.699 3.650 8.379
548 2HD ARG 67 HD1 ARG 67 77.617 5.082 8.844
549 HE ARG 67 HE ARG 67 75.647 3.676 10.512
550 1HH1 ARG 67 HH21 ARG 67 77.485 6.518 9.862
551 2HH1 ARG 67 HH22 ARG 67 77.401 7.106 11.489
552 1HH2 ARG 67 HH11 ARG 67 75.524 4.428 12.640
553 2HH2 ARG 67 HH12 ARG 67 76.290 5.923 13.063
Start of MODEL 10
1 H ALA 1 HT1 ALA 1 54.688 -2.856 -6.419
2 HA ALA 1 HA ALA 1 57.177 -2.626 -7.102
3 1HB ALA 1 HB1 ALA 1 57.611 -4.959 -7.541
4 2HB ALA 1 HB2 ALA 1 57.590 -4.124 -9.090
5 3HB ALA 1 HB3 ALA 1 56.196 -5.079 -8.588
6 H MET 2 HN MET 2 56.841 -3.051 -10.051
7 HA MET 2 HA MET 2 55.648 -0.581 -10.728
8 1HB MET 2 HB2 MET 2 57.274 -1.891 -12.130
9 2HB MET 2 HB1 MET 2 55.955 -2.987 -12.539
10 1HG MET 2 HG2 MET 2 54.663 -1.008 -13.396
11 2HG MET 2 HG1 MET 2 56.101 -0.021 -13.136
12 1HE MET 2 HE1 MET 2 58.725 -1.250 -15.463
13 2HE MET 2 HE2 MET 2 58.508 -2.237 -14.020
14 3HE MET 2 HE3 MET 2 58.290 -0.492 -13.925
15 H SER 3 HN SER 3 54.164 -3.797 -10.449
16 HA SER 3 HA SER 3 51.856 -3.346 -11.993
17 1HB SER 3 HB2 SER 3 51.993 -4.768 -9.317
18 2HB SER 3 HB1 SER 3 50.744 -4.984 -10.543
19 HG SER 3 HG SER 3 52.068 -6.203 -11.649
20 H TYR 4 HN TYR 4 52.381 -2.426 -8.541
21 HA TYR 4 HA TYR 4 50.460 -0.250 -9.007
22 1HB TYR 4 HB2 TYR 4 49.035 -2.163 -8.296
23 2HB TYR 4 HB1 TYR 4 49.934 -2.243 -6.787
24 HD1 TYR 4 HD1 TYR 4 49.621 -0.553 -5.046
25 HD2 TYR 4 HD2 TYR 4 47.690 -0.192 -8.859
26 HE1 TYR 4 HE1 TYR 4 48.191 1.240 -4.142
27 HE2 TYR 4 HE2 TYR 4 46.253 1.611 -7.958
28 HH TYR 4 HH TYR 4 46.897 3.206 -5.073
29 H SER 5 HN SER 5 50.854 1.524 -7.604
30 HA SER 5 HA SER 5 52.656 1.091 -5.315
31 1HB SER 5 HB2 SER 5 54.381 2.589 -6.103
32 2HB SER 5 HB1 SER 5 54.132 1.318 -7.291
33 HG SER 5 HG SER 5 52.724 3.756 -7.431
34 H LEU 6 HN LEU 6 52.962 3.083 -4.025
35 HA LEU 6 HA LEU 6 50.630 4.929 -4.382
36 1HB LEU 6 HB2 LEU 6 52.201 4.312 -1.862
37 2HB LEU 6 HB1 LEU 6 50.777 5.345 -1.975
38 HG LEU 6 HG LEU 6 50.890 2.379 -2.582
39 1HD1 LEU 6 HD11 LEU 6 49.012 3.427 -0.570
40 2HD1 LEU 6 HD12 LEU 6 50.710 3.627 -0.135
41 3HD1 LEU 6 HD13 LEU 6 50.074 2.020 -0.490
42 1HD2 LEU 6 HD21 LEU 6 49.262 3.177 -4.058
43 2HD2 LEU 6 HD22 LEU 6 48.795 4.495 -2.983
44 3HD2 LEU 6 HD23 LEU 6 48.303 2.842 -2.617
45 H TYR 7 HN TYR 7 51.082 7.127 -4.579
46 HA TYR 7 HA TYR 7 53.926 7.909 -4.196
47 1HB TYR 7 HB2 TYR 7 53.383 7.586 -6.622
48 2HB TYR 7 HB1 TYR 7 52.183 8.873 -6.474
49 HD1 TYR 7 HD1 TYR 7 52.836 11.183 -6.359
50 HD2 TYR 7 HD2 TYR 7 55.790 8.072 -6.175
51 HE1 TYR 7 HE1 TYR 7 54.635 12.874 -6.603
52 HE2 TYR 7 HE2 TYR 7 57.588 9.758 -6.419
53 HH TYR 7 HH TYR 7 57.822 12.278 -5.914
54 H GLY 8 HN GLY 8 50.911 8.410 -3.007
55 1HA GLY 8 HA2 GLY 8 50.538 10.224 -1.406
56 2HA GLY 8 HA1 GLY 8 51.639 11.229 -2.351
57 H THR 9 HN THR 9 49.721 9.505 -4.421
58 HA THR 9 HA THR 9 48.186 11.865 -5.186
59 HB THR 9 HB THR 9 47.341 10.503 -6.978
60 HG1 THR 9 HG1 THR 9 47.173 8.678 -5.238
61 1HG2 THR 9 HG21 THR 9 50.193 9.866 -6.236
62 2HG2 THR 9 HG22 THR 9 49.602 11.002 -7.448
63 3HG2 THR 9 HG23 THR 9 49.477 9.267 -7.732
64 H THR 10 HN THR 10 45.665 11.543 -5.339
65 HA THR 10 HA THR 10 44.686 11.159 -2.719
66 HB THR 10 HB THR 10 42.454 11.160 -3.701
67 HG1 THR 10 HG1 THR 10 43.619 9.818 -5.594
68 1HG2 THR 10 HG21 THR 10 44.146 12.893 -5.499
69 2HG2 THR 10 HG22 THR 10 43.962 13.243 -3.779
70 3HG2 THR 10 HG23 THR 10 42.549 13.237 -4.834
71 H LEU 11 HN LEU 11 45.560 8.889 -5.148
72 HA LEU 11 HA LEU 11 43.944 6.664 -4.459
73 1HB LEU 11 HB2 LEU 11 46.804 6.714 -5.397
74 2HB LEU 11 HB1 LEU 11 45.717 5.326 -5.492
75 HG LEU 11 HG LEU 11 45.376 7.989 -6.903
76 1HD1 LEU 11 HD11 LEU 11 45.269 6.040 -8.802
77 2HD1 LEU 11 HD12 LEU 11 46.394 5.311 -7.656
78 3HD1 LEU 11 HD13 LEU 11 46.749 6.889 -8.358
79 1HD2 LEU 11 HD21 LEU 11 43.436 6.576 -7.977
80 2HD2 LEU 11 HD22 LEU 11 43.171 7.372 -6.425
81 3HD2 LEU 11 HD23 LEU 11 43.537 5.647 -6.480
82 H GLU 12 HN GLU 12 47.066 7.694 -3.171
83 HA GLU 12 HA GLU 12 47.430 5.445 -1.446
84 1HB GLU 12 HB2 GLU 12 49.247 6.976 -2.155
85 2HB GLU 12 HB1 GLU 12 48.553 8.235 -1.131
86 1HG GLU 12 HG2 GLU 12 48.805 6.746 0.838
87 2HG GLU 12 HG1 GLU 12 49.565 5.533 -0.190
88 H GLN 13 HN GLN 13 45.699 8.469 -1.002
89 HA GLN 13 HA GLN 13 45.635 8.536 1.805
90 1HB GLN 13 HB2 GLN 13 43.370 9.314 -0.052
91 2HB GLN 13 HB1 GLN 13 43.653 9.925 1.582
92 1HG GLN 13 HG2 GLN 13 45.372 10.337 -0.866
93 2HG GLN 13 HG1 GLN 13 44.556 11.571 0.090
94 1HE2 GLN 13 HE21 GLN 13 47.540 10.432 -0.508
95 2HE2 GLN 13 HE22 GLN 13 48.285 10.652 0.993
96 H GLN 14 HN GLN 14 43.504 6.661 -0.395
97 HA GLN 14 HA GLN 14 41.718 5.780 1.669
98 1HB GLN 14 HB2 GLN 14 42.597 4.384 -0.882
99 2HB GLN 14 HB1 GLN 14 41.242 3.870 0.125
100 1HG GLN 14 HG2 GLN 14 40.140 6.035 -0.220
101 2HG GLN 14 HG1 GLN 14 41.504 6.591 -1.189
102 1HE2 GLN 14 HE21 GLN 14 38.883 6.463 -2.319
103 2HE2 GLN 14 HE22 GLN 14 38.862 5.243 -3.497
104 H TYR 15 HN TYR 15 44.800 4.577 0.480
105 HA TYR 15 HA TYR 15 44.935 2.226 2.140
106 1HB TYR 15 HB2 TYR 15 47.092 3.882 0.800
107 2HB TYR 15 HB1 TYR 15 47.385 2.342 1.598
108 HD1 TYR 15 HD1 TYR 15 47.240 0.368 0.361
109 HD2 TYR 15 HD2 TYR 15 45.182 3.876 -1.022
110 HE1 TYR 15 HE1 TYR 15 46.553 -0.848 -1.685
111 HE2 TYR 15 HE2 TYR 15 44.503 2.665 -3.078
112 HH TYR 15 HH TYR 15 44.280 0.539 -3.969
113 H ASN 16 HN ASN 16 45.678 5.608 2.635
114 HA ASN 16 HA ASN 16 47.557 5.531 4.677
115 1HB ASN 16 HB2 ASN 16 46.552 7.573 3.591
116 2HB ASN 16 HB1 ASN 16 45.185 7.399 4.691
117 1HD2 ASN 16 HD21 ASN 16 45.409 8.618 6.564
118 2HD2 ASN 16 HD22 ASN 16 46.886 9.036 7.289
119 H LYS 17 HN LYS 17 44.018 5.051 5.160
120 HA LYS 17 HA LYS 17 44.415 4.962 8.031
121 1HB LYS 17 HB2 LYS 17 42.044 3.538 7.507
122 2HB LYS 17 HB1 LYS 17 42.204 5.196 8.046
123 1HG LYS 17 HG2 LYS 17 41.890 6.089 5.939
124 2HG LYS 17 HG1 LYS 17 42.519 4.672 5.111
125 1HD LYS 17 HD2 LYS 17 40.363 3.527 6.213
126 2HD LYS 17 HD1 LYS 17 39.776 5.184 6.160
127 1HE LYS 17 HE2 LYS 17 39.171 4.627 4.033
128 2HE LYS 17 HE1 LYS 17 40.864 4.971 3.677
129 1HZ LYS 17 HZ1 LYS 17 39.732 2.674 3.069
130 2HZ LYS 17 HZ2 LYS 17 40.226 2.297 4.652
131 3HZ LYS 17 HZ3 LYS 17 41.370 2.789 3.496
132 HA PRO 18 HA PRO 18 44.360 0.236 7.690
133 1HB PRO 18 HB2 PRO 18 43.658 -1.053 5.460
134 2HB PRO 18 HB1 PRO 18 42.429 -0.244 6.458
135 1HG PRO 18 HG2 PRO 18 43.742 0.699 3.946
136 2HG PRO 18 HG1 PRO 18 42.028 0.739 4.402
137 1HD PRO 18 HD2 PRO 18 43.726 2.898 4.663
138 2HD PRO 18 HD1 PRO 18 42.268 2.641 5.638
139 H LEU 19 HN LEU 19 46.315 2.111 5.723
140 HA LEU 19 HA LEU 19 47.626 0.430 3.974
141 1HB LEU 19 HB2 LEU 19 48.382 2.777 4.412
142 2HB LEU 19 HB1 LEU 19 49.110 2.226 5.917
143 HG LEU 19 HG LEU 19 50.356 0.503 4.450
144 1HD1 LEU 19 HD11 LEU 19 50.723 1.296 2.107
145 2HD1 LEU 19 HD12 LEU 19 49.431 2.468 2.348
146 3HD1 LEU 19 HD13 LEU 19 49.077 0.743 2.407
147 1HD2 LEU 19 HD21 LEU 19 52.122 1.872 4.711
148 2HD2 LEU 19 HD22 LEU 19 50.986 3.102 5.264
149 3HD2 LEU 19 HD23 LEU 19 51.465 3.041 3.567
150 H SER 20 HN SER 20 48.406 0.586 7.508
151 HA SER 20 HA SER 20 50.270 -1.590 7.353
152 1HB SER 20 HB2 SER 20 48.463 -0.884 9.689
153 2HB SER 20 HB1 SER 20 49.963 -1.802 9.766
154 HG SER 20 HG SER 20 49.852 0.661 10.169
155 H ASP 21 HN ASP 21 46.803 -1.385 7.873
156 HA ASP 21 HA ASP 21 46.278 -4.161 8.274
157 1HB ASP 21 HB2 ASP 21 44.554 -1.903 7.237
158 2HB ASP 21 HB1 ASP 21 43.932 -3.503 7.624
159 H LEU 22 HN LEU 22 46.395 -2.192 5.301
160 HA LEU 22 HA LEU 22 45.230 -4.114 3.590
161 1HB LEU 22 HB2 LEU 22 47.300 -2.022 2.903
162 2HB LEU 22 HB1 LEU 22 46.299 -2.889 1.739
163 HG LEU 22 HG LEU 22 45.328 -1.031 3.924
164 1HD1 LEU 22 HD11 LEU 22 45.558 -0.884 0.938
165 2HD1 LEU 22 HD12 LEU 22 46.012 0.317 2.147
166 3HD1 LEU 22 HD13 LEU 22 44.311 0.040 1.775
167 1HD2 LEU 22 HD21 LEU 22 43.623 -2.604 3.862
168 2HD2 LEU 22 HD22 LEU 22 43.941 -3.026 2.179
169 3HD2 LEU 22 HD23 LEU 22 43.114 -1.518 2.570
170 H LEU 23 HN LEU 23 48.733 -3.786 4.389
171 HA LEU 23 HA LEU 23 49.514 -6.436 4.213
172 1HB LEU 23 HB2 LEU 23 48.372 -6.310 1.880
173 2HB LEU 23 HB1 LEU 23 49.728 -5.327 1.411
174 HG LEU 23 HG LEU 23 50.091 -8.039 2.662
175 1HD1 LEU 23 HD11 LEU 23 50.136 -8.953 0.398
176 2HD1 LEU 23 HD12 LEU 23 49.828 -7.349 -0.277
177 3HD1 LEU 23 HD13 LEU 23 48.586 -8.161 0.678
178 1HD2 LEU 23 HD21 LEU 23 52.147 -6.805 2.558
179 2HD2 LEU 23 HD22 LEU 23 51.770 -6.189 0.950
180 3HD2 LEU 23 HD23 LEU 23 52.175 -7.887 1.168
181 H ILE 24 HN ILE 24 51.063 -4.888 5.565
182 HA ILE 24 HA ILE 24 53.194 -3.888 3.698
183 HB ILE 24 HB ILE 24 52.625 -2.905 6.492
184 1HG1 ILE 24 HG12 ILE 24 50.769 -2.260 5.089
185 2HG1 ILE 24 HG11 ILE 24 51.809 -0.850 5.287
186 1HG2 ILE 24 HG21 ILE 24 54.578 -2.245 4.313
187 2HG2 ILE 24 HG22 ILE 24 54.846 -2.408 6.044
188 3HG2 ILE 24 HG23 ILE 24 54.055 -0.967 5.410
189 1HD1 ILE 24 HD11 ILE 24 52.940 -1.815 3.081
190 2HD1 ILE 24 HD12 ILE 24 51.505 -0.796 2.997
191 3HD1 ILE 24 HD13 ILE 24 51.349 -2.546 2.869
192 H ARG 25 HN ARG 25 55.166 -4.861 3.875
193 HA ARG 25 HA ARG 25 56.259 -5.704 6.425
194 1HB ARG 25 HB2 ARG 25 54.559 -7.564 5.675
195 2HB ARG 25 HB1 ARG 25 55.814 -7.973 4.496
196 1HG ARG 25 HG2 ARG 25 57.450 -8.176 6.367
197 2HG ARG 25 HG1 ARG 25 56.148 -7.890 7.512
198 1HD ARG 25 HD2 ARG 25 56.253 -10.163 5.505
199 2HD ARG 25 HD1 ARG 25 56.554 -10.307 7.236
200 HE ARG 25 HE ARG 25 53.960 -10.223 6.005
201 1HH1 ARG 25 HH21 ARG 25 55.813 -9.089 8.682
202 2HH1 ARG 25 HH22 ARG 25 54.447 -8.945 9.737
203 1HH2 ARG 25 HH11 ARG 25 52.165 -10.042 7.369
204 2HH2 ARG 25 HH12 ARG 25 52.381 -9.484 8.993
205 H CYS 26 HN CYS 26 58.511 -6.854 5.917
206 HA CYS 26 HA CYS 26 59.917 -5.351 3.908
207 1HB CYS 26 HB2 CYS 26 60.523 -7.288 5.992
208 2HB CYS 26 HB1 CYS 26 61.363 -7.700 4.510
209 H ILE 27 HN ILE 27 60.423 -6.025 1.801
210 HA ILE 27 HA ILE 27 58.733 -7.912 0.493
211 HB ILE 27 HB ILE 27 60.240 -5.982 -0.501
212 1HG1 ILE 27 HG12 ILE 27 60.147 -8.626 -1.970
213 2HG1 ILE 27 HG11 ILE 27 58.729 -7.596 -1.752
214 1HG2 ILE 27 HG21 ILE 27 62.283 -7.424 0.404
215 2HG2 ILE 27 HG22 ILE 27 62.412 -6.565 -1.134
216 3HG2 ILE 27 HG23 ILE 27 62.058 -8.287 -1.109
217 1HD1 ILE 27 HD11 ILE 27 60.847 -5.912 -2.620
218 2HD1 ILE 27 HD12 ILE 27 59.392 -6.360 -3.516
219 3HD1 ILE 27 HD13 ILE 27 60.853 -7.329 -3.671
220 H ASN 28 HN ASN 28 61.749 -8.251 2.210
221 HA ASN 28 HA ASN 28 61.835 -11.125 1.350
222 1HB ASN 28 HB2 ASN 28 64.010 -10.925 0.709
223 2HB ASN 28 HB1 ASN 28 63.676 -9.202 0.657
224 1HD2 ASN 28 HD21 ASN 28 65.216 -8.020 1.790
225 2HD2 ASN 28 HD22 ASN 28 66.048 -8.561 3.167
226 H CYS 29 HN CYS 29 62.808 -8.839 3.933
227 HA CYS 29 HA CYS 29 63.641 -10.918 5.744
228 1HB CYS 29 HB2 CYS 29 62.552 -8.177 6.443
229 2HB CYS 29 HB1 CYS 29 63.611 -9.181 7.439
230 H GLN 30 HN GLN 30 60.617 -9.396 5.027
231 HA GLN 30 HA GLN 30 58.428 -9.877 5.597
232 1HB GLN 30 HB2 GLN 30 59.489 -12.573 6.427
233 2HB GLN 30 HB1 GLN 30 57.843 -12.172 5.918
234 1HG GLN 30 HG2 GLN 30 60.350 -12.192 4.255
235 2HG GLN 30 HG1 GLN 30 58.860 -13.061 3.998
236 1HE2 GLN 30 HE21 GLN 30 60.547 -10.501 2.838
237 2HE2 GLN 30 HE22 GLN 30 59.274 -9.539 2.265
238 H LYS 31 HN LYS 31 59.924 -8.542 7.549
239 HA LYS 31 HA LYS 31 58.922 -9.773 10.081
240 1HB LYS 31 HB2 LYS 31 61.255 -8.057 9.388
241 2HB LYS 31 HB1 LYS 31 60.445 -7.679 10.908
242 1HG LYS 31 HG2 LYS 31 62.235 -9.319 11.284
243 2HG LYS 31 HG1 LYS 31 60.660 -10.049 11.600
244 1HD LYS 31 HD2 LYS 31 60.701 -11.313 9.629
245 2HD LYS 31 HD1 LYS 31 61.880 -10.250 8.858
246 1HE LYS 31 HE2 LYS 31 62.473 -12.025 11.244
247 2HE LYS 31 HE1 LYS 31 62.869 -12.431 9.574
248 1HZ LYS 31 HZ1 LYS 31 63.836 -10.031 11.032
249 2HZ LYS 31 HZ2 LYS 31 64.242 -10.463 9.440
250 3HZ LYS 31 HZ3 LYS 31 64.747 -11.432 10.741
251 HA PRO 32 HA PRO 32 55.798 -6.682 10.435
252 1HB PRO 32 HB2 PRO 32 56.486 -5.460 12.885
253 2HB PRO 32 HB1 PRO 32 55.422 -6.864 12.691
254 1HG PRO 32 HG2 PRO 32 58.286 -6.753 13.437
255 2HG PRO 32 HG1 PRO 32 57.026 -7.882 13.962
256 1HD PRO 32 HD2 PRO 32 58.918 -8.606 12.177
257 2HD PRO 32 HD1 PRO 32 57.248 -9.212 12.052
258 H LEU 33 HN LEU 33 55.674 -4.531 9.657
259 HA LEU 33 HA LEU 33 58.305 -3.128 9.429
260 1HB LEU 33 HB2 LEU 33 56.726 -3.758 7.417
261 2HB LEU 33 HB1 LEU 33 55.779 -2.382 7.979
262 HG LEU 33 HG LEU 33 57.874 -0.980 7.833
263 1HD1 LEU 33 HD11 LEU 33 59.533 -2.212 6.128
264 2HD1 LEU 33 HD12 LEU 33 58.863 -3.657 6.881
265 3HD1 LEU 33 HD13 LEU 33 59.686 -2.452 7.873
266 1HD2 LEU 33 HD21 LEU 33 56.884 -2.391 5.334
267 2HD2 LEU 33 HD22 LEU 33 57.951 -0.991 5.296
268 3HD2 LEU 33 HD23 LEU 33 56.327 -0.837 5.968
269 H SER 34 HN SER 34 58.687 -1.484 10.680
270 HA SER 34 HA SER 34 56.966 -0.689 12.720
271 1HB SER 34 HB2 SER 34 59.555 0.135 11.688
272 2HB SER 34 HB1 SER 34 58.606 1.534 12.186
273 HG SER 34 HG SER 34 58.313 0.536 14.199
274 HA PRO 35 HA PRO 35 54.149 1.527 10.187
275 1HB PRO 35 HB2 PRO 35 53.012 3.021 12.257
276 2HB PRO 35 HB1 PRO 35 52.469 1.447 11.652
277 1HG PRO 35 HG2 PRO 35 53.943 2.087 14.084
278 2HG PRO 35 HG1 PRO 35 52.941 0.688 13.693
279 1HD PRO 35 HD2 PRO 35 55.711 0.677 13.805
280 2HD PRO 35 HD1 PRO 35 54.712 -0.539 12.975
281 H GLU 36 HN GLU 36 56.617 2.768 12.141
282 HA GLU 36 HA GLU 36 56.289 5.596 11.555
283 1HB GLU 36 HB2 GLU 36 58.798 3.977 12.142
284 2HB GLU 36 HB1 GLU 36 58.725 5.739 12.102
285 1HG GLU 36 HG2 GLU 36 57.021 5.689 13.911
286 2HG GLU 36 HG1 GLU 36 57.172 3.933 13.980
287 H GLU 37 HN GLU 37 57.836 2.859 10.045
288 HA GLU 37 HA GLU 37 59.057 4.232 7.830
289 1HB GLU 37 HB2 GLU 37 58.085 1.385 8.249
290 2HB GLU 37 HB1 GLU 37 59.114 1.901 6.908
291 1HG GLU 37 HG2 GLU 37 60.828 2.670 8.492
292 2HG GLU 37 HG1 GLU 37 59.800 2.205 9.848
293 H LYS 38 HN LYS 38 55.934 2.691 8.440
294 HA LYS 38 HA LYS 38 54.815 2.939 5.822
295 1HB LYS 38 HB2 LYS 38 53.451 3.172 8.528
296 2HB LYS 38 HB1 LYS 38 52.624 2.925 6.992
297 1HG LYS 38 HG2 LYS 38 53.852 0.807 6.685
298 2HG LYS 38 HG1 LYS 38 54.627 1.028 8.249
299 1HD LYS 38 HD2 LYS 38 52.258 1.198 9.230
300 2HD LYS 38 HD1 LYS 38 51.683 0.634 7.664
301 1HE LYS 38 HE2 LYS 38 53.320 -0.815 9.705
302 2HE LYS 38 HE1 LYS 38 51.900 -1.377 8.816
303 1HZ LYS 38 HZ1 LYS 38 54.612 -0.918 7.702
304 2HZ LYS 38 HZ2 LYS 38 53.246 -1.371 6.801
305 3HZ LYS 38 HZ3 LYS 38 53.880 -2.424 7.972
306 H GLN 39 HN GLN 39 55.095 5.147 8.585
307 HA GLN 39 HA GLN 39 53.509 7.252 7.493
308 1HB GLN 39 HB2 GLN 39 55.949 7.470 9.299
309 2HB GLN 39 HB1 GLN 39 54.820 8.786 8.964
310 1HG GLN 39 HG2 GLN 39 54.156 6.144 10.285
311 2HG GLN 39 HG1 GLN 39 54.167 7.734 11.054
312 1HE2 GLN 39 HE21 GLN 39 52.295 5.551 9.162
313 2HE2 GLN 39 HE22 GLN 39 51.016 6.594 8.809
314 H ARG 40 HN ARG 40 56.897 6.358 7.011
315 HA ARG 40 HA ARG 40 57.549 8.643 5.425
316 1HB ARG 40 HB2 ARG 40 59.205 6.906 6.194
317 2HB ARG 40 HB1 ARG 40 58.519 5.795 5.008
318 1HG ARG 40 HG2 ARG 40 59.064 7.413 3.204
319 2HG ARG 40 HG1 ARG 40 59.804 8.474 4.403
320 1HD ARG 40 HD2 ARG 40 61.367 6.619 5.015
321 2HD ARG 40 HD1 ARG 40 60.682 5.657 3.704
322 HE ARG 40 HE ARG 40 61.983 6.921 2.206
323 1HH1 ARG 40 HH21 ARG 40 61.510 8.573 5.197
324 2HH1 ARG 40 HH22 ARG 40 62.529 9.907 4.773
325 1HH2 ARG 40 HH11 ARG 40 63.317 8.659 1.638
326 2HH2 ARG 40 HH12 ARG 40 63.549 9.956 2.761
327 H HIS 41 HN HIS 41 55.961 5.542 4.721
328 HA HIS 41 HA HIS 41 55.717 6.019 1.868
329 1HB HIS 41 HB2 HIS 41 53.874 4.289 3.540
330 2HB HIS 41 HB1 HIS 41 54.302 4.096 1.847
331 HD1 HIS 41 HD1 HIS 41 54.842 1.842 3.955
332 HD2 HIS 41 HD2 HIS 41 57.656 4.675 2.767
333 HE1 HIS 41 HE1 HIS 41 57.115 0.871 4.501
334 H LEU 42 HN LEU 42 53.442 6.374 4.582
335 HA LEU 42 HA LEU 42 51.305 7.534 3.060
336 1HB LEU 42 HB2 LEU 42 51.960 7.872 6.003
337 2HB LEU 42 HB1 LEU 42 50.390 8.153 5.246
338 HG LEU 42 HG LEU 42 51.871 5.514 5.431
339 1HD1 LEU 42 HD11 LEU 42 49.191 5.367 6.347
340 2HD1 LEU 42 HD12 LEU 42 49.906 6.800 7.081
341 3HD1 LEU 42 HD13 LEU 42 50.668 5.221 7.299
342 1HD2 LEU 42 HD21 LEU 42 49.586 4.741 4.383
343 2HD2 LEU 42 HD22 LEU 42 50.867 5.350 3.335
344 3HD2 LEU 42 HD23 LEU 42 49.522 6.399 3.784
345 H ASP 43 HN ASP 43 54.106 8.811 4.653
346 HA ASP 43 HA ASP 43 53.554 11.575 4.548
347 1HB ASP 43 HB2 ASP 43 56.183 10.077 4.506
348 2HB ASP 43 HB1 ASP 43 56.061 11.832 4.631
349 H LYS 44 HN LYS 44 54.724 9.199 2.361
350 HA LYS 44 HA LYS 44 54.228 9.399 -0.010
351 1HB LYS 44 HB2 LYS 44 54.925 12.320 0.401
352 2HB LYS 44 HB1 LYS 44 54.563 11.562 -1.139
353 1HG LYS 44 HG2 LYS 44 52.351 10.862 -0.331
354 2HG LYS 44 HG1 LYS 44 52.632 11.635 1.214
355 1HD LYS 44 HD2 LYS 44 52.990 13.789 0.023
356 2HD LYS 44 HD1 LYS 44 52.569 12.956 -1.455
357 1HE LYS 44 HE2 LYS 44 50.445 13.632 -0.976
358 2HE LYS 44 HE1 LYS 44 50.464 12.259 0.130
359 1HZ LYS 44 HZ1 LYS 44 50.578 13.588 1.906
360 2HZ LYS 44 HZ2 LYS 44 50.013 14.802 0.860
361 3HZ LYS 44 HZ3 LYS 44 51.676 14.657 1.178
362 H LYS 45 HN LYS 45 56.007 7.996 0.527
363 HA LYS 45 HA LYS 45 58.744 8.839 0.520
364 1HB LYS 45 HB2 LYS 45 57.984 6.542 1.193
365 2HB LYS 45 HB1 LYS 45 57.683 6.201 -0.514
366 1HG LYS 45 HG2 LYS 45 60.069 6.757 -1.029
367 2HG LYS 45 HG1 LYS 45 60.348 6.992 0.705
368 1HD LYS 45 HD2 LYS 45 59.578 4.640 1.106
369 2HD LYS 45 HD1 LYS 45 59.483 4.417 -0.641
370 1HE LYS 45 HE2 LYS 45 61.817 4.637 -0.917
371 2HE LYS 45 HE1 LYS 45 62.021 5.396 0.662
372 1HZ LYS 45 HZ1 LYS 45 61.560 3.355 1.744
373 2HZ LYS 45 HZ2 LYS 45 62.715 3.021 0.543
374 3HZ LYS 45 HZ3 LYS 45 61.086 2.606 0.299
375 H GLN 46 HN GLN 46 60.242 8.886 -1.159
376 HA GLN 46 HA GLN 46 59.449 9.985 -3.607
377 1HB GLN 46 HB2 GLN 46 61.773 9.914 -2.633
378 2HB GLN 46 HB1 GLN 46 61.875 8.227 -3.137
379 1HG GLN 46 HG2 GLN 46 61.496 8.902 -5.471
380 2HG GLN 46 HG1 GLN 46 61.393 10.587 -4.968
381 1HE2 GLN 46 HE21 GLN 46 63.367 9.680 -6.777
382 2HE2 GLN 46 HE22 GLN 46 64.894 9.831 -6.052
383 H ARG 47 HN ARG 47 59.934 6.534 -2.736
384 HA ARG 47 HA ARG 47 58.183 5.811 -4.993
385 1HB ARG 47 HB2 ARG 47 61.022 4.772 -4.789
386 2HB ARG 47 HB1 ARG 47 59.796 4.103 -5.856
387 1HG ARG 47 HG2 ARG 47 60.715 6.983 -5.945
388 2HG ARG 47 HG1 ARG 47 61.359 5.720 -6.980
389 1HD ARG 47 HD2 ARG 47 59.024 5.296 -7.807
390 2HD ARG 47 HD1 ARG 47 58.491 6.700 -6.885
391 HE ARG 47 HE ARG 47 59.421 8.070 -8.553
392 1HH1 ARG 47 HH21 ARG 47 60.731 4.883 -8.620
393 2HH1 ARG 47 HH22 ARG 47 61.653 5.147 -10.061
394 1HH2 ARG 47 HH11 ARG 47 60.617 8.436 -10.440
395 2HH2 ARG 47 HH12 ARG 47 61.588 7.158 -11.092
396 H PHE 48 HN PHE 48 56.696 4.803 -3.600
397 HA PHE 48 HA PHE 48 57.770 2.474 -2.038
398 1HB PHE 48 HB2 PHE 48 56.439 4.433 -0.859
399 2HB PHE 48 HB1 PHE 48 55.036 3.701 -1.626
400 HD1 PHE 48 HD1 PHE 48 53.801 2.407 -0.128
401 HD2 PHE 48 HD2 PHE 48 58.094 2.354 0.103
402 HE1 PHE 48 HE1 PHE 48 53.688 0.741 1.707
403 HE2 PHE 48 HE2 PHE 48 57.974 0.689 1.929
404 HZ PHE 48 HZ PHE 48 55.782 -0.118 2.735
405 H HIS 49 HN HIS 49 57.100 0.452 -2.990
406 HA HIS 49 HA HIS 49 54.942 0.756 -5.052
407 1HB HIS 49 HB2 HIS 49 57.395 -0.992 -5.231
408 2HB HIS 49 HB1 HIS 49 56.112 -0.888 -6.431
409 HD1 HIS 49 HD1 HIS 49 55.742 1.603 -7.474
410 HD2 HIS 49 HD2 HIS 49 59.377 0.919 -5.553
411 HE1 HIS 49 HE1 HIS 49 57.312 3.431 -8.247
412 H ASN 50 HN ASN 50 53.586 -0.924 -5.483
413 HA ASN 50 HA ASN 50 53.313 -2.957 -3.320
414 1HB ASN 50 HB2 ASN 50 51.445 -1.366 -3.562
415 2HB ASN 50 HB1 ASN 50 51.264 -1.864 -5.229
416 1HD2 ASN 50 HD21 ASN 50 51.372 -3.356 -1.964
417 2HD2 ASN 50 HD22 ASN 50 50.189 -4.521 -2.294
418 H ILE 51 HN ILE 51 53.323 -5.072 -3.823
419 HA ILE 51 HA ILE 51 53.348 -5.855 -6.711
420 HB ILE 51 HB ILE 51 54.523 -7.339 -4.343
421 1HG1 ILE 51 HG12 ILE 51 55.895 -5.808 -6.554
422 2HG1 ILE 51 HG11 ILE 51 55.738 -5.250 -4.892
423 1HG2 ILE 51 HG21 ILE 51 54.355 -9.076 -5.791
424 2HG2 ILE 51 HG22 ILE 51 55.676 -8.295 -6.660
425 3HG2 ILE 51 HG23 ILE 51 54.007 -8.014 -7.154
426 1HD1 ILE 51 HD11 ILE 51 57.927 -6.477 -5.612
427 2HD1 ILE 51 HD12 ILE 51 56.947 -7.936 -5.471
428 3HD1 ILE 51 HD13 ILE 51 57.182 -6.894 -4.068
429 H ARG 52 HN ARG 52 51.782 -7.400 -7.307
430 HA ARG 52 HA ARG 52 49.446 -7.605 -5.788
431 1HB ARG 52 HB2 ARG 52 49.666 -8.234 -8.202
432 2HB ARG 52 HB1 ARG 52 50.491 -9.709 -7.708
433 1HG ARG 52 HG2 ARG 52 48.222 -10.345 -8.042
434 2HG ARG 52 HG1 ARG 52 48.414 -10.221 -6.294
435 1HD ARG 52 HD2 ARG 52 47.449 -7.930 -6.369
436 2HD ARG 52 HD1 ARG 52 47.230 -8.094 -8.108
437 HE ARG 52 HE ARG 52 45.379 -9.513 -7.690
438 1HH1 ARG 52 HH21 ARG 52 47.288 -8.934 -4.880
439 2HH1 ARG 52 HH22 ARG 52 46.143 -9.645 -3.793
440 1HH2 ARG 52 HH11 ARG 52 43.871 -10.442 -6.289
441 2HH2 ARG 52 HH12 ARG 52 44.207 -10.499 -4.591
442 H GLY 53 HN GLY 53 49.501 -8.250 -3.704
443 1HA GLY 53 HA2 GLY 53 49.278 -10.036 -2.115
444 2HA GLY 53 HA1 GLY 53 50.299 -11.045 -3.137
445 H ARG 54 HN ARG 54 52.116 -8.471 -3.288
446 HA ARG 54 HA ARG 54 53.280 -8.702 -0.556
447 1HB ARG 54 HB2 ARG 54 54.798 -9.083 -3.150
448 2HB ARG 54 HB1 ARG 54 55.555 -8.906 -1.569
449 1HG ARG 54 HG2 ARG 54 54.291 -10.886 -0.769
450 2HG ARG 54 HG1 ARG 54 53.599 -11.076 -2.380
451 1HD ARG 54 HD2 ARG 54 55.484 -12.572 -2.231
452 2HD ARG 54 HD1 ARG 54 55.956 -11.233 -3.277
453 HE ARG 54 HE ARG 54 56.860 -10.349 -0.877
454 1HH1 ARG 54 HH21 ARG 54 56.995 -13.417 -2.448
455 2HH1 ARG 54 HH22 ARG 54 58.499 -13.873 -1.719
456 1HH2 ARG 54 HH11 ARG 54 58.822 -10.927 0.085
457 2HH2 ARG 54 HH12 ARG 54 59.533 -12.464 -0.284
458 H TRP 55 HN TRP 55 54.503 -6.866 0.113
459 HA TRP 55 HA TRP 55 54.183 -4.480 -1.658
460 1HB TRP 55 HB2 TRP 55 53.481 -4.857 1.112
461 2HB TRP 55 HB1 TRP 55 54.722 -3.609 0.990
462 HD1 TRP 55 HD1 TRP 55 51.098 -4.265 0.239
463 HE1 TRP 55 HE1 TRP 55 50.038 -2.182 -0.823
464 HE3 TRP 55 HE3 TRP 55 55.291 -1.499 -0.594
465 HZ2 TRP 55 HZ2 TRP 55 50.866 0.311 -1.909
466 HZ3 TRP 55 HZ3 TRP 55 55.124 0.741 -1.639
467 HH2 TRP 55 HH2 TRP 55 52.919 1.652 -2.296
468 H THR 56 HN THR 56 55.975 -2.978 -1.765
469 HA THR 56 HA THR 56 58.506 -4.056 -0.603
470 HB THR 56 HB THR 56 58.143 -4.661 -3.079
471 HG1 THR 56 HG1 THR 56 60.397 -3.055 -2.491
472 1HG2 THR 56 HG21 THR 56 59.160 -2.008 -3.835
473 2HG2 THR 56 HG22 THR 56 57.484 -2.012 -3.289
474 3HG2 THR 56 HG23 THR 56 57.971 -3.032 -4.642
475 H GLY 57 HN GLY 57 60.194 -2.502 -0.444
476 1HA GLY 57 HA2 GLY 57 60.403 0.124 -1.066
477 2HA GLY 57 HA1 GLY 57 59.201 0.175 0.221
478 H ARG 58 HN ARG 58 59.834 -0.929 2.285
479 HA ARG 58 HA ARG 58 62.302 0.008 3.239
480 1HB ARG 58 HB2 ARG 58 60.577 -0.583 4.798
481 2HB ARG 58 HB1 ARG 58 60.666 -2.278 4.284
482 1HG ARG 58 HG2 ARG 58 62.932 -2.483 5.006
483 2HG ARG 58 HG1 ARG 58 63.049 -0.751 5.336
484 1HD ARG 58 HD2 ARG 58 61.171 -1.151 7.019
485 2HD ARG 58 HD1 ARG 58 61.507 -2.871 6.819
486 HE ARG 58 HE ARG 58 63.402 -2.527 8.174
487 1HH1 ARG 58 HH21 ARG 58 62.383 0.323 6.521
488 2HH1 ARG 58 HH22 ARG 58 63.577 1.346 7.256
489 1HH2 ARG 58 HH11 ARG 58 64.982 -1.206 9.155
490 2HH2 ARG 58 HH12 ARG 58 65.050 0.477 8.749
491 H CYS 59 HN CYS 59 61.531 -3.250 2.117
492 HA CYS 59 HA CYS 59 63.990 -4.309 2.981
493 1HB CYS 59 HB2 CYS 59 61.809 -5.400 1.967
494 2HB CYS 59 HB1 CYS 59 62.813 -5.395 0.526
495 H MET 60 HN MET 60 63.185 -2.438 0.157
496 HA MET 60 HA MET 60 65.451 -3.083 -1.445
497 1HB MET 60 HB2 MET 60 63.547 -1.555 -2.130
498 2HB MET 60 HB1 MET 60 64.258 -0.311 -1.102
499 1HG MET 60 HG2 MET 60 66.394 -0.545 -2.403
500 2HG MET 60 HG1 MET 60 65.551 -1.642 -3.498
501 1HE MET 60 HE1 MET 60 63.140 0.094 -5.410
502 2HE MET 60 HE2 MET 60 62.437 0.100 -3.795
503 3HE MET 60 HE3 MET 60 63.414 -1.270 -4.317
504 H SER 61 HN SER 61 65.022 -0.940 1.330
505 HA SER 61 HA SER 61 67.681 0.155 1.318
506 1HB SER 61 HB2 SER 61 67.199 0.859 3.588
507 2HB SER 61 HB1 SER 61 65.737 1.077 2.630
508 HG SER 61 HG SER 61 66.291 -1.274 4.115
509 H CYS 62 HN CYS 62 66.282 -2.859 2.500
510 HA CYS 62 HA CYS 62 68.409 -3.624 4.244
511 1HB CYS 62 HB2 CYS 62 66.613 -5.420 2.558
512 2HB CYS 62 HB1 CYS 62 67.636 -5.947 3.892
513 H SER 63 HN SER 63 68.080 -3.724 0.747
514 HA SER 63 HA SER 63 70.859 -4.842 0.630
515 1HB SER 63 HB2 SER 63 68.640 -5.163 -1.413
516 2HB SER 63 HB1 SER 63 70.270 -5.815 -1.552
517 HG SER 63 HG SER 63 68.784 -6.377 0.752
518 H ARG 64 HN ARG 64 72.296 -3.816 -0.804
519 HA ARG 64 HA ARG 64 71.958 -1.040 -1.264
520 1HB ARG 64 HB2 ARG 64 74.155 -2.221 -1.256
521 2HB ARG 64 HB1 ARG 64 73.745 -2.937 -2.816
522 1HG ARG 64 HG2 ARG 64 73.501 -0.661 -3.776
523 2HG ARG 64 HG1 ARG 64 73.977 0.029 -2.223
524 1HD ARG 64 HD2 ARG 64 76.133 -1.223 -2.376
525 2HD ARG 64 HD1 ARG 64 75.661 -1.776 -3.984
526 HE ARG 64 HE ARG 64 75.675 1.149 -3.567
527 1HH1 ARG 64 HH21 ARG 64 77.200 -1.724 -4.706
528 2HH1 ARG 64 HH22 ARG 64 78.273 -0.890 -5.778
529 1HH2 ARG 64 HH11 ARG 64 77.063 2.258 -4.966
530 2HH2 ARG 64 HH12 ARG 64 78.195 1.365 -5.927
531 H SER 65 HN SER 65 71.301 -3.817 -3.376
532 HA SER 65 HA SER 65 69.794 -1.959 -5.161
533 1HB SER 65 HB2 SER 65 70.671 -3.075 -7.132
534 2HB SER 65 HB1 SER 65 72.026 -2.519 -6.156
535 HG SER 65 HG SER 65 71.034 -5.113 -6.564
536 H SER 66 HN SER 66 68.124 -3.078 -6.437
537 HA SER 66 HA SER 66 67.237 -5.624 -5.135
538 1HB SER 66 HB2 SER 66 65.787 -3.650 -4.625
539 2HB SER 66 HB1 SER 66 65.496 -3.457 -6.351
540 HG SER 66 HG SER 66 63.887 -4.761 -5.843
541 H ARG 67 HN ARG 67 66.539 -7.277 -6.520
542 HA ARG 67 HA ARG 67 66.939 -6.739 -9.437
543 1HB ARG 67 HB2 ARG 67 67.585 -9.068 -9.677
544 2HB ARG 67 HB1 ARG 67 68.545 -8.356 -8.379
545 1HG ARG 67 HG2 ARG 67 66.814 -9.243 -6.752
546 2HG ARG 67 HG1 ARG 67 66.110 -10.136 -8.101
547 1HD ARG 67 HD2 ARG 67 68.339 -11.208 -8.491
548 2HD ARG 67 HD1 ARG 67 68.940 -10.398 -7.045
549 HE ARG 67 HE ARG 67 66.561 -11.863 -6.400
550 1HH1 ARG 67 HH21 ARG 67 69.881 -12.212 -7.259
551 2HH1 ARG 67 HH22 ARG 67 70.082 -13.708 -6.409
552 1HH2 ARG 67 HH11 ARG 67 66.804 -13.816 -5.286
553 2HH2 ARG 67 HH12 ARG 67 68.340 -14.616 -5.292