Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1185 | 1abt RC | 5024 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 603 H/Q atoms
Start of MODEL 1
1 1H ILE 1 1H ILE 1 -2.735 12.014 -3.141
2 2H ILE 1 2H ILE 1 -1.252 12.548 -3.772
3 3H ILE 1 3H ILE 1 -2.574 12.296 -4.807
4 HA ILE 1 HA ILE 1 -0.986 10.502 -4.994
5 HB ILE 1 HB ILE 1 -1.231 10.334 -2.057
6 1HG1 ILE 1 1HG1 ILE 1 0.345 12.000 -2.787
7 2HG1 ILE 1 2HG1 ILE 1 1.234 10.569 -2.235
8 1HG2 ILE 1 1HG2 ILE 1 0.014 8.267 -3.733
9 2HG2 ILE 1 2HG2 ILE 1 0.231 8.505 -1.990
10 3HG2 ILE 1 3HG2 ILE 1 -1.374 8.132 -2.641
11 1HD1 ILE 1 3HD1 ILE 1 1.644 9.924 -4.576
12 2HD1 ILE 1 1HD1 ILE 1 0.756 11.354 -5.127
13 3HD1 ILE 1 2HD1 ILE 1 2.273 11.544 -4.229
14 H VAL 2 H VAL 2 -2.624 10.089 -6.360
15 HA VAL 2 HA VAL 2 -5.026 8.616 -5.432
16 HB VAL 2 HB VAL 2 -5.417 8.769 -8.106
17 1HG1 VAL 2 1HG1 VAL 2 -6.406 10.615 -6.020
18 2HG1 VAL 2 2HG1 VAL 2 -7.073 10.429 -7.651
19 3HG1 VAL 2 3HG1 VAL 2 -7.067 9.054 -6.535
20 1HG2 VAL 2 3HG2 VAL 2 -4.152 11.424 -7.412
21 2HG2 VAL 2 1HG2 VAL 2 -3.532 10.254 -8.589
22 3HG2 VAL 2 2HG2 VAL 2 -5.087 11.056 -8.872
23 H CYS 3 H CYS 3 -3.868 6.819 -4.846
24 HA CYS 3 HA CYS 3 -3.547 4.947 -7.140
25 1HB CYS 3 1HB CYS 3 -1.735 5.306 -4.750
26 2HB CYS 3 2HB CYS 3 -1.706 3.877 -5.796
27 H HIS 4 H HIS 4 -2.800 3.034 -4.853
28 HA HIS 4 HA HIS 4 -5.506 1.993 -4.365
29 1HB HIS 4 1HB HIS 4 -2.611 1.110 -3.974
30 2HB HIS 4 2HB HIS 4 -3.973 0.130 -3.403
31 HD2 HIS 4 HD2 HIS 4 -2.126 1.029 -6.588
32 HE1 HIS 4 HE1 HIS 4 -6.021 0.193 -7.943
33 HE2 HIS 4 HE2 HIS 4 -3.685 0.996 -8.612
34 H THR 5 H THR 5 -5.706 4.161 -3.174
35 HA THR 5 HA THR 5 -4.547 4.301 -0.504
36 HB THR 5 HB THR 5 -6.593 6.008 -1.971
37 HG1 THR 5 HG1 THR 5 -4.713 7.406 -1.925
38 1HG2 THR 5 3HG2 THR 5 -7.139 6.207 0.364
39 2HG2 THR 5 1HG2 THR 5 -5.453 6.608 0.728
40 3HG2 THR 5 2HG2 THR 5 -6.419 7.686 -0.294
41 H THR 6 H THR 6 -4.798 3.417 0.976
42 HA THR 6 HA THR 6 -7.522 2.546 1.830
43 HB THR 6 HB THR 6 -6.452 1.163 3.530
44 HG1 THR 6 HG1 THR 6 -4.180 1.008 3.586
45 1HG2 THR 6 3HG2 THR 6 -6.815 0.139 1.326
46 2HG2 THR 6 1HG2 THR 6 -5.219 0.702 0.802
47 3HG2 THR 6 2HG2 THR 6 -5.353 -0.497 2.099
48 H ALA 7 H ALA 7 -6.052 5.293 2.062
49 HA ALA 7 HA ALA 7 -6.555 5.836 4.909
50 1HB ALA 7 1HB ALA 7 -5.992 7.715 2.579
51 2HB ALA 7 2HB ALA 7 -6.031 8.175 4.289
52 3HB ALA 7 3HB ALA 7 -4.780 7.069 3.698
53 H THR 8 H THR 8 -8.482 5.153 5.175
54 HA THR 8 HA THR 8 -10.765 5.093 5.433
55 HB THR 8 HB THR 8 -12.062 7.019 5.410
56 HG1 THR 8 HG1 THR 8 -11.130 9.039 4.794
57 1HG2 THR 8 1HG2 THR 8 -9.270 7.480 6.487
58 2HG2 THR 8 2HG2 THR 8 -10.731 8.338 7.005
59 3HG2 THR 8 3HG2 THR 8 -10.577 6.597 7.293
60 H SER 9 H SER 9 -9.747 3.888 3.224
61 HA SER 9 HA SER 9 -11.946 3.928 1.280
62 1HB SER 9 1HB SER 9 -9.096 4.458 0.366
63 2HB SER 9 2HB SER 9 -10.527 4.306 -0.666
64 HG SER 9 HG SER 9 -9.938 6.506 -0.286
65 HA PRO 10 HA PRO 10 -10.435 -0.326 1.225
66 1HB PRO 10 1HB PRO 10 -12.401 -1.428 -0.323
67 2HB PRO 10 2HB PRO 10 -12.567 -1.117 1.413
68 1HG PRO 10 1HG PRO 10 -13.524 0.584 -0.917
69 2HG PRO 10 2HG PRO 10 -14.391 0.155 0.568
70 1HD PRO 10 2HD PRO 10 -13.159 2.562 0.306
71 2HD PRO 10 1HD PRO 10 -13.205 1.721 1.866
72 H ILE 11 H ILE 11 -8.655 0.512 0.109
73 HA ILE 11 HA ILE 11 -7.037 0.524 -1.537
74 HB ILE 11 HB ILE 11 -8.526 -1.793 -2.719
75 1HG1 ILE 11 1HG1 ILE 11 -6.332 -2.031 -0.692
76 2HG1 ILE 11 2HG1 ILE 11 -8.007 -1.811 -0.155
77 1HG2 ILE 11 3HG2 ILE 11 -6.644 -0.902 -4.065
78 2HG2 ILE 11 1HG2 ILE 11 -5.584 -1.000 -2.647
79 3HG2 ILE 11 2HG2 ILE 11 -6.237 -2.481 -3.369
80 1HD1 ILE 11 1HD1 ILE 11 -7.000 -4.053 -1.942
81 2HD1 ILE 11 2HD1 ILE 11 -7.405 -4.197 -0.224
82 3HD1 ILE 11 3HD1 ILE 11 -8.674 -3.833 -1.405
83 H SER 12 H SER 12 -8.663 2.550 -1.931
84 HA SER 12 HA SER 12 -9.849 2.457 -4.676
85 1HB SER 12 1HB SER 12 -10.719 4.615 -2.878
86 2HB SER 12 2HB SER 12 -11.667 3.574 -3.954
87 HG SER 12 HG SER 12 -12.168 3.230 -1.721
88 H ALA 13 H ALA 13 -9.461 4.092 -6.051
89 HA ALA 13 HA ALA 13 -7.166 5.844 -5.633
90 1HB ALA 13 1HB ALA 13 -9.188 5.690 -7.900
91 2HB ALA 13 2HB ALA 13 -7.666 6.595 -7.934
92 3HB ALA 13 3HB ALA 13 -7.642 4.826 -7.835
93 H VAL 14 H VAL 14 -7.537 6.759 -3.881
94 HA VAL 14 HA VAL 14 -9.064 9.327 -3.988
95 HB VAL 14 HB VAL 14 -8.595 7.476 -1.652
96 1HG1 VAL 14 3HG1 VAL 14 -8.183 9.639 -0.802
97 2HG1 VAL 14 1HG1 VAL 14 -9.704 10.235 -1.487
98 3HG1 VAL 14 2HG1 VAL 14 -9.729 9.003 -0.215
99 1HG2 VAL 14 1HG2 VAL 14 -10.537 6.906 -3.071
100 2HG2 VAL 14 2HG2 VAL 14 -11.056 7.520 -1.492
101 3HG2 VAL 14 3HG2 VAL 14 -11.134 8.566 -2.920
102 H THR 15 H THR 15 -7.771 11.018 -4.018
103 HA THR 15 HA THR 15 -4.965 11.065 -3.369
104 HB THR 15 HB THR 15 -5.565 13.652 -3.161
105 HG1 THR 15 HG1 THR 15 -7.496 14.131 -4.294
106 1HG2 THR 15 1HG2 THR 15 -5.808 12.187 -5.805
107 2HG2 THR 15 2HG2 THR 15 -5.466 13.914 -5.599
108 3HG2 THR 15 3HG2 THR 15 -4.295 12.707 -5.043
109 H CYS 16 H CYS 16 -4.564 10.305 -1.419
110 HA CYS 16 HA CYS 16 -6.098 10.684 0.973
111 1HB CYS 16 1HB CYS 16 -4.001 9.716 2.048
112 2HB CYS 16 2HB CYS 16 -4.740 8.724 0.780
113 HA PRO 17 HA PRO 17 -4.723 14.583 2.529
114 1HB PRO 17 1HB PRO 17 -6.688 13.685 4.596
115 2HB PRO 17 2HB PRO 17 -6.376 15.301 3.941
116 1HG PRO 17 1HG PRO 17 -8.464 13.911 3.005
117 2HG PRO 17 2HG PRO 17 -7.439 14.790 1.857
118 1HD PRO 17 2HD PRO 17 -7.423 11.828 2.533
119 2HD PRO 17 1HD PRO 17 -7.304 12.600 0.943
120 HA PRO 18 HA PRO 18 -2.513 12.263 5.948
121 1HB PRO 18 1HB PRO 18 -3.258 9.366 5.731
122 2HB PRO 18 2HB PRO 18 -3.028 10.349 7.187
123 1HG PRO 18 1HG PRO 18 -5.512 9.648 6.415
124 2HG PRO 18 2HG PRO 18 -5.212 11.271 7.059
125 1HD PRO 18 2HD PRO 18 -5.402 10.396 4.151
126 2HD PRO 18 1HD PRO 18 -6.177 11.783 4.936
127 H GLY 19 H GLY 19 -0.783 12.623 4.687
128 1HA GLY 19 1HA GLY 19 1.199 10.988 4.597
129 2HA GLY 19 2HA GLY 19 0.313 10.251 3.252
130 H GLU 20 H GLU 20 2.477 10.676 2.385
131 HA GLU 20 HA GLU 20 2.769 13.439 1.276
132 1HB GLU 20 1HB GLU 20 4.882 11.605 2.262
133 2HB GLU 20 2HB GLU 20 5.196 13.012 1.232
134 1HG GLU 20 1HG GLU 20 5.608 13.826 3.342
135 2HG GLU 20 2HG GLU 20 3.937 14.338 3.051
136 H ASN 21 H ASN 21 4.945 12.783 -0.322
137 HA ASN 21 HA ASN 21 3.611 12.498 -2.863
138 1HB ASN 21 1HB ASN 21 5.916 13.070 -3.660
139 2HB ASN 21 2HB ASN 21 5.345 14.170 -2.392
140 1HD2 ASN 21 2HD2 ASN 21 8.651 11.848 -1.826
141 2HD2 ASN 21 1HD2 ASN 21 7.708 11.780 -3.278
142 H LEU 22 H LEU 22 4.133 9.907 -1.281
143 HA LEU 22 HA LEU 22 4.681 8.348 -3.760
144 1HB LEU 22 1HB LEU 22 5.472 7.586 -0.947
145 2HB LEU 22 2HB LEU 22 5.559 6.522 -2.361
146 HG LEU 22 HG LEU 22 7.286 8.933 -1.760
147 1HD1 LEU 22 3HD1 LEU 22 7.741 6.778 -0.618
148 2HD1 LEU 22 1HD1 LEU 22 7.731 5.946 -2.182
149 3HD1 LEU 22 2HD1 LEU 22 8.999 7.129 -1.815
150 1HD2 LEU 22 3HD2 LEU 22 7.320 7.167 -4.236
151 2HD2 LEU 22 1HD2 LEU 22 6.804 8.862 -4.209
152 3HD2 LEU 22 2HD2 LEU 22 8.484 8.441 -3.836
153 H CYS 23 H CYS 23 3.597 6.778 -4.191
154 HA CYS 23 HA CYS 23 1.304 5.758 -2.635
155 1HB CYS 23 1HB CYS 23 2.355 5.146 -5.417
156 2HB CYS 23 2HB CYS 23 0.931 4.384 -4.687
157 OH TYR 24 OH TYR 24 -2.498 5.115 -2.931
158 H TYR 24 H TYR 24 1.785 4.457 -1.229
159 HA TYR 24 HA TYR 24 3.395 2.847 -0.204
160 1HB TYR 24 1HB TYR 24 1.368 1.221 -0.022
161 2HB TYR 24 2HB TYR 24 1.610 2.757 0.827
162 HD1 TYR 24 HD2 TYR 24 0.000 1.383 -2.342
163 HD2 TYR 24 HD1 TYR 24 -0.065 4.358 0.802
164 HE1 TYR 24 HE2 TYR 24 -1.536 2.813 -3.695
165 HE2 TYR 24 HE1 TYR 24 -1.667 5.740 -0.507
166 HH TYR 24 HH TYR 24 -2.664 4.674 -3.779
167 NH1 ARG 25 NH1 ARG 25 5.426 -5.302 -3.985
168 NH2 ARG 25 NH2 ARG 25 4.696 -7.286 -3.237
169 H ARG 25 H ARG 25 1.791 0.805 -2.829
170 HA ARG 25 HA ARG 25 1.514 -1.241 -1.283
171 1HB ARG 25 1HB ARG 25 1.442 -1.527 -3.770
172 2HB ARG 25 2HB ARG 25 3.197 -1.770 -3.749
173 1HG ARG 25 1HG ARG 25 2.532 -3.587 -1.901
174 2HG ARG 25 2HG ARG 25 1.005 -3.565 -2.801
175 1HD ARG 25 1HD ARG 25 1.929 -4.525 -4.664
176 2HD ARG 25 2HD ARG 25 3.507 -3.761 -4.408
177 HE ARG 25 HE ARG 25 2.542 -6.077 -2.807
178 1HH1 ARG 25 1HH1 ARG 25 5.244 -4.396 -4.368
179 2HH1 ARG 25 2HH1 ARG 25 6.348 -5.689 -4.031
180 1HH2 ARG 25 1HH2 ARG 25 3.947 -7.916 -3.032
181 2HH2 ARG 25 2HH2 ARG 25 5.633 -7.629 -3.305
182 H LYS 26 H LYS 26 2.272 -0.933 0.604
183 HA LYS 26 HA LYS 26 5.013 -1.947 1.126
184 1HB LYS 26 1HB LYS 26 3.007 -0.964 3.130
185 2HB LYS 26 2HB LYS 26 4.724 -1.318 3.393
186 1HG LYS 26 1HG LYS 26 5.313 0.471 1.781
187 2HG LYS 26 2HG LYS 26 3.591 0.850 1.602
188 1HD LYS 26 1HD LYS 26 3.560 1.225 4.129
189 2HD LYS 26 2HD LYS 26 5.330 1.179 4.055
190 1HE LYS 26 HE1 LYS 26 5.163 2.946 2.210
191 2HE LYS 26 HE2 LYS 26 3.457 3.113 2.653
192 1HZ LYS 26 1HZ LYS 26 5.765 3.488 4.466
193 2HZ LYS 26 2HZ LYS 26 4.827 4.725 3.777
194 3HZ LYS 26 3HZ LYS 26 4.129 3.649 4.891
195 H MET 27 H MET 27 4.831 -4.017 0.554
196 HA MET 27 HA MET 27 2.929 -5.796 1.996
197 1HB MET 27 1HB MET 27 2.620 -5.577 -0.457
198 2HB MET 27 2HB MET 27 4.235 -6.270 -0.676
199 1HG MET 27 1HG MET 27 3.559 -8.334 0.366
200 2HG MET 27 2HG MET 27 1.988 -7.646 0.809
201 1HE MET 27 1HE MET 27 0.591 -9.473 -0.109
202 2HE MET 27 2HE MET 27 0.821 -10.267 -1.676
203 3HE MET 27 3HE MET 27 2.084 -10.369 -0.437
204 CH2 TRP 28 CH2 TRP 28 3.466 -3.828 6.931
205 H TRP 28 H TRP 28 3.591 -7.399 3.049
206 HA TRP 28 HA TRP 28 6.209 -8.715 2.722
207 1HB TRP 28 1HB TRP 28 6.699 -8.749 5.031
208 2HB TRP 28 2HB TRP 28 6.697 -7.111 4.356
209 HD1 TRP 28 HD1 TRP 28 5.579 -9.019 7.220
210 HE1 TRP 28 HE1 TRP 28 4.653 -7.356 8.905
211 HE3 TRP 28 HE3 TRP 28 4.427 -5.295 3.982
212 HZ2 TRP 28 HZ2 TRP 28 3.599 -4.755 8.891
213 HZ3 TRP 28 HZ3 TRP 28 3.442 -3.181 4.861
214 HH2 TRP 28 HH2 TRP 28 3.048 -2.900 7.307
215 H CYS 29 H CYS 29 5.660 -10.393 5.057
216 HA CYS 29 HA CYS 29 4.631 -12.662 4.240
217 1HB CYS 29 1HB CYS 29 4.229 -11.381 6.870
218 2HB CYS 29 2HB CYS 29 3.631 -13.012 6.527
219 H ASP 30 H ASP 30 1.211 -12.402 3.175
220 HA ASP 30 HA ASP 30 1.817 -14.227 2.109
221 1HB ASP 30 1HB ASP 30 4.709 -13.695 2.799
222 2HB ASP 30 2HB ASP 30 4.091 -14.858 1.615
223 H ALA 31 H ALA 31 0.721 -15.508 3.054
224 HA ALA 31 HA ALA 31 -0.267 -16.762 4.704
225 1HB ALA 31 1HB ALA 31 2.596 -17.635 5.255
226 2HB ALA 31 2HB ALA 31 1.134 -18.457 5.828
227 3HB ALA 31 3HB ALA 31 1.491 -18.391 4.094
228 H PHE 32 H PHE 32 0.345 -14.044 5.471
229 HA PHE 32 HA PHE 32 1.655 -12.761 6.966
230 1HB PHE 32 1HB PHE 32 0.514 -12.074 8.710
231 2HB PHE 32 2HB PHE 32 -0.537 -12.337 7.307
232 HD1 PHE 32 HD1 PHE 32 -1.979 -14.488 7.290
233 HD2 PHE 32 HD2 PHE 32 -0.100 -12.835 10.812
234 HE1 PHE 32 HE1 PHE 32 -3.884 -15.321 8.674
235 HE2 PHE 32 HE2 PHE 32 -2.024 -13.647 12.218
236 HZ PHE 32 HZ PHE 32 -3.899 -14.883 11.128
237 H CYS 33 H CYS 33 3.003 -14.801 6.616
238 HA CYS 33 HA CYS 33 3.797 -16.936 7.364
239 1HB CYS 33 1HB CYS 33 6.023 -16.274 8.490
240 2HB CYS 33 2HB CYS 33 5.716 -15.704 6.840
241 H SER 34 H SER 34 1.892 -17.256 8.357
242 HA SER 34 HA SER 34 2.438 -18.977 10.603
243 1HB SER 34 1HB SER 34 1.023 -18.023 12.262
244 2HB SER 34 2HB SER 34 2.396 -16.974 11.875
245 HG SER 34 HG SER 34 0.402 -15.800 12.031
246 H SER 35 H SER 35 -0.651 -17.317 10.086
247 HA SER 35 HA SER 35 -1.862 -19.897 9.211
248 1HB SER 35 1HB SER 35 -3.783 -19.346 10.641
249 2HB SER 35 2HB SER 35 -2.267 -19.575 11.527
250 HG SER 35 HG SER 35 -3.410 -17.663 12.209
251 NH1 ARG 36 NH2 ARG 36 -2.375 -21.173 0.817
252 NH2 ARG 36 NH1 ARG 36 -3.811 -19.549 0.189
253 H ARG 36 H ARG 36 -1.113 -17.886 7.415
254 HA ARG 36 HA ARG 36 -1.763 -17.066 5.390
255 1HB ARG 36 1HB ARG 36 -3.896 -19.133 5.899
256 2HB ARG 36 2HB ARG 36 -3.970 -18.100 4.462
257 1HG ARG 36 1HG ARG 36 -1.594 -18.734 3.947
258 2HG ARG 36 2HG ARG 36 -1.633 -19.857 5.317
259 1HD ARG 36 1HD ARG 36 -2.015 -21.133 3.322
260 2HD ARG 36 2HD ARG 36 -3.555 -21.031 4.194
261 HE ARG 36 HE ARG 36 -4.194 -19.236 2.597
262 1HH1 ARG 36 1HH2 ARG 36 -2.002 -21.776 1.521
263 2HH1 ARG 36 2HH2 ARG 36 -2.164 -21.339 -0.147
264 1HH2 ARG 36 1HH1 ARG 36 -4.541 -18.902 0.407
265 2HH2 ARG 36 2HH1 ARG 36 -3.583 -19.743 -0.765
266 H GLY 37 H GLY 37 -1.473 -15.405 5.146
267 1HA GLY 37 1HA GLY 37 -3.649 -13.885 4.084
268 2HA GLY 37 2HA GLY 37 -3.181 -13.220 5.658
269 H LYS 38 H LYS 38 -2.999 -11.727 3.346
270 HA LYS 38 HA LYS 38 -0.038 -11.441 2.923
271 1HB LYS 38 1HB LYS 38 -2.417 -10.797 1.146
272 2HB LYS 38 2HB LYS 38 -0.761 -10.273 0.796
273 1HG LYS 38 1HG LYS 38 -0.036 -12.576 0.580
274 2HG LYS 38 2HG LYS 38 -1.644 -13.155 1.047
275 1HD LYS 38 1HD LYS 38 -2.644 -12.311 -0.934
276 2HD LYS 38 2HD LYS 38 -1.236 -11.301 -1.309
277 1HE LYS 38 HE1 LYS 38 -1.223 -14.332 -1.325
278 2HE LYS 38 HE2 LYS 38 -1.438 -13.321 -2.765
279 1HZ LYS 38 3HZ LYS 38 0.689 -12.320 -2.335
280 2HZ LYS 38 1HZ LYS 38 0.896 -13.289 -0.956
281 3HZ LYS 38 2HZ LYS 38 0.834 -14.005 -2.494
282 H VAL 39 H VAL 39 0.457 -10.142 4.581
283 HA VAL 39 HA VAL 39 -0.959 -7.775 5.379
284 HB VAL 39 HB VAL 39 1.987 -8.199 5.808
285 1HG1 VAL 39 1HG1 VAL 39 -0.215 -6.790 7.389
286 2HG1 VAL 39 2HG1 VAL 39 1.489 -6.876 7.868
287 3HG1 VAL 39 3HG1 VAL 39 1.020 -5.984 6.410
288 1HG2 VAL 39 1HG2 VAL 39 0.855 -10.234 6.630
289 2HG2 VAL 39 2HG2 VAL 39 1.458 -9.244 7.971
290 3HG2 VAL 39 3HG2 VAL 39 -0.266 -9.231 7.565
291 H VAL 40 H VAL 40 -1.404 -6.616 3.650
292 HA VAL 40 HA VAL 40 0.831 -5.014 2.503
293 HB VAL 40 HB VAL 40 -1.909 -5.167 1.238
294 1HG1 VAL 40 3HG1 VAL 40 -0.412 -3.328 0.567
295 2HG1 VAL 40 1HG1 VAL 40 0.851 -4.503 0.164
296 3HG1 VAL 40 2HG1 VAL 40 -0.658 -4.469 -0.765
297 1HG2 VAL 40 3HG2 VAL 40 0.470 -6.887 0.500
298 2HG2 VAL 40 1HG2 VAL 40 -1.043 -7.469 1.212
299 3HG2 VAL 40 2HG2 VAL 40 -1.045 -6.751 -0.407
300 H GLU 41 H GLU 41 0.980 -3.411 3.782
301 HA GLU 41 HA GLU 41 -1.306 -1.822 4.767
302 1HB GLU 41 1HB GLU 41 0.579 -2.259 6.271
303 2HB GLU 41 2HB GLU 41 1.699 -1.548 5.097
304 1HG GLU 41 1HG GLU 41 1.237 -0.019 6.958
305 2HG GLU 41 2HG GLU 41 0.682 0.643 5.411
306 H LEU 42 H LEU 42 -2.117 -0.256 3.536
307 HA LEU 42 HA LEU 42 -0.291 0.961 1.502
308 1HB LEU 42 1HB LEU 42 -3.318 0.767 1.308
309 2HB LEU 42 2HB LEU 42 -2.230 1.487 0.110
310 HG LEU 42 HG LEU 42 -2.345 -1.446 0.899
311 1HD1 LEU 42 1HD1 LEU 42 -3.055 -0.033 -1.700
312 2HD1 LEU 42 2HD1 LEU 42 -3.088 -1.784 -1.434
313 3HD1 LEU 42 3HD1 LEU 42 -4.214 -0.733 -0.557
314 1HD2 LEU 42 3HD2 LEU 42 -0.655 -0.079 -1.211
315 2HD2 LEU 42 1HD2 LEU 42 -0.053 -0.779 0.301
316 3HD2 LEU 42 2HD2 LEU 42 -0.769 -1.825 -0.936
317 H GLY 43 H GLY 43 0.790 2.052 2.518
318 1HA GLY 43 1HA GLY 43 -0.319 4.379 3.965
319 2HA GLY 43 2HA GLY 43 1.307 3.701 4.150
320 H CYS 44 H CYS 44 -0.394 6.243 3.057
321 HA CYS 44 HA CYS 44 1.033 7.019 0.652
322 1HB CYS 44 1HB CYS 44 -0.538 8.672 2.568
323 2HB CYS 44 2HB CYS 44 0.173 9.249 1.050
324 H ALA 45 H ALA 45 3.039 7.603 0.497
325 HA ALA 45 HA ALA 45 4.614 7.747 3.019
326 1HB ALA 45 3HB ALA 45 4.603 5.574 1.899
327 2HB ALA 45 1HB ALA 45 5.107 6.329 0.377
328 3HB ALA 45 2HB ALA 45 6.213 6.302 1.761
329 H ALA 46 H ALA 46 6.587 8.800 3.080
330 HA ALA 46 HA ALA 46 6.949 11.065 1.266
331 1HB ALA 46 1HB ALA 46 8.482 10.247 3.707
332 2HB ALA 46 2HB ALA 46 8.735 11.734 2.777
333 3HB ALA 46 3HB ALA 46 7.187 11.451 3.591
334 H THR 47 H THR 47 9.007 8.289 2.190
335 HA THR 47 HA THR 47 10.243 8.215 -0.464
336 HB THR 47 HB THR 47 12.205 8.226 1.802
337 HG1 THR 47 HG1 THR 47 12.563 10.475 1.385
338 1HG2 THR 47 3HG2 THR 47 12.900 7.464 -0.455
339 2HG2 THR 47 1HG2 THR 47 12.371 9.010 -1.139
340 3HG2 THR 47 2HG2 THR 47 13.731 8.963 -0.006
341 H CYS 48 H CYS 48 10.984 6.185 -0.926
342 HA CYS 48 HA CYS 48 10.977 4.077 1.203
343 1HB CYS 48 1HB CYS 48 11.024 2.479 -0.663
344 2HB CYS 48 2HB CYS 48 9.562 3.477 -0.588
345 HA PRO 49 HA PRO 49 15.417 4.909 0.603
346 1HB PRO 49 1HB PRO 49 16.263 4.154 3.094
347 2HB PRO 49 2HB PRO 49 15.525 5.737 2.795
348 1HG PRO 49 1HG PRO 49 14.225 3.216 3.870
349 2HG PRO 49 2HG PRO 49 14.086 4.876 4.474
350 1HD PRO 49 2HD PRO 49 12.186 3.787 2.835
351 2HD PRO 49 1HD PRO 49 12.593 5.509 2.766
352 H SER 50 H SER 50 17.234 3.588 0.388
353 HA SER 50 HA SER 50 16.897 0.809 -0.241
354 1HB SER 50 1HB SER 50 19.439 0.831 -0.172
355 2HB SER 50 2HB SER 50 18.719 2.064 -1.221
356 HG SER 50 HG SER 50 20.337 2.953 0.210
357 H LYS 51 H LYS 51 17.937 2.432 2.598
358 HA LYS 51 HA LYS 51 18.276 -0.073 4.162
359 1HB LYS 51 1HB LYS 51 18.784 2.808 4.973
360 2HB LYS 51 2HB LYS 51 19.297 1.349 5.838
361 1HG LYS 51 1HG LYS 51 20.978 0.867 4.301
362 2HG LYS 51 2HG LYS 51 20.194 1.779 3.000
363 1HD LYS 51 1HD LYS 51 20.624 3.851 4.547
364 2HD LYS 51 2HD LYS 51 21.823 2.801 5.322
365 1HE LYS 51 HE1 LYS 51 22.874 2.392 3.104
366 2HE LYS 51 HE2 LYS 51 21.696 3.483 2.356
367 1HZ LYS 51 3HZ LYS 51 22.487 5.250 3.776
368 2HZ LYS 51 1HZ LYS 51 23.617 4.204 4.493
369 3HZ LYS 51 2HZ LYS 51 23.759 4.610 2.851
370 H LYS 52 H LYS 52 16.175 -0.646 4.132
371 HA LYS 52 HA LYS 52 14.261 0.927 5.807
372 1HB LYS 52 1HB LYS 52 12.458 0.041 4.348
373 2HB LYS 52 2HB LYS 52 13.590 1.079 3.463
374 1HG LYS 52 1HG LYS 52 14.490 -0.709 2.264
375 2HG LYS 52 2HG LYS 52 13.904 -1.912 3.426
376 1HD LYS 52 1HD LYS 52 12.565 -2.139 1.492
377 2HD LYS 52 2HD LYS 52 11.568 -1.325 2.708
378 1HE LYS 52 HE1 LYS 52 11.043 -0.179 0.762
379 2HE LYS 52 HE2 LYS 52 12.284 0.854 1.494
380 1HZ LYS 52 1HZ LYS 52 12.729 -1.153 -0.632
381 2HZ LYS 52 2HZ LYS 52 12.666 0.531 -0.845
382 3HZ LYS 52 3HZ LYS 52 13.918 -0.163 0.068
383 HA PRO 53 HA PRO 53 13.358 -3.094 7.847
384 1HB PRO 53 1HB PRO 53 10.507 -2.057 7.538
385 2HB PRO 53 2HB PRO 53 11.229 -2.875 8.934
386 1HG PRO 53 1HG PRO 53 10.951 -0.214 9.000
387 2HG PRO 53 2HG PRO 53 12.461 -0.931 9.586
388 1HD PRO 53 2HD PRO 53 11.914 0.463 6.959
389 2HD PRO 53 1HD PRO 53 13.370 0.516 7.966
390 OH TYR 54 OH TYR 54 18.425 -2.394 3.640
391 H TYR 54 H TYR 54 13.575 -4.730 6.448
392 HA TYR 54 HA TYR 54 13.160 -4.301 3.660
393 1HB TYR 54 1HB TYR 54 14.261 -6.599 5.114
394 2HB TYR 54 2HB TYR 54 13.964 -6.626 3.368
395 HD1 TYR 54 HD2 TYR 54 15.013 -4.843 1.884
396 HD2 TYR 54 HD1 TYR 54 16.111 -5.449 6.039
397 HE1 TYR 54 HE2 TYR 54 16.869 -3.170 1.640
398 HE2 TYR 54 HE1 TYR 54 17.978 -3.791 5.778
399 HH TYR 54 HH TYR 54 18.450 -2.036 2.738
400 H GLU 55 H GLU 55 11.087 -3.955 3.319
401 HA GLU 55 HA GLU 55 9.371 -6.366 2.939
402 1HB GLU 55 1HB GLU 55 8.509 -3.497 3.468
403 2HB GLU 55 2HB GLU 55 7.428 -4.870 3.175
404 1HG GLU 55 1HG GLU 55 8.197 -5.951 5.205
405 2HG GLU 55 2HG GLU 55 9.369 -4.653 5.482
406 H GLU 56 H GLU 56 8.129 -6.347 1.058
407 HA GLU 56 HA GLU 56 9.392 -5.122 -1.288
408 1HB GLU 56 1HB GLU 56 7.071 -7.044 -0.875
409 2HB GLU 56 2HB GLU 56 7.568 -6.463 -2.473
410 1HG GLU 56 1HG GLU 56 9.773 -7.407 -2.213
411 2HG GLU 56 2HG GLU 56 9.466 -7.790 -0.510
412 H VAL 57 H VAL 57 9.181 -3.151 -1.324
413 HA VAL 57 HA VAL 57 6.526 -1.827 -1.039
414 HB VAL 57 HB VAL 57 9.271 -0.805 -0.486
415 1HG1 VAL 57 3HG1 VAL 57 7.961 1.028 -1.494
416 2HG1 VAL 57 1HG1 VAL 57 6.641 0.710 -0.355
417 3HG1 VAL 57 2HG1 VAL 57 8.205 1.288 0.242
418 1HG2 VAL 57 3HG2 VAL 57 6.827 -1.247 1.243
419 2HG2 VAL 57 1HG2 VAL 57 8.310 -2.218 1.248
420 3HG2 VAL 57 2HG2 VAL 57 8.356 -0.528 1.779
421 H THR 58 H THR 58 5.633 -1.626 -2.947
422 HA THR 58 HA THR 58 7.126 -0.496 -5.229
423 HB THR 58 HB THR 58 4.149 -0.879 -5.253
424 HG1 THR 58 HG1 THR 58 4.605 -3.066 -5.920
425 1HG2 THR 58 3HG2 THR 58 5.236 0.213 -7.171
426 2HG2 THR 58 1HG2 THR 58 6.308 -1.186 -7.361
427 3HG2 THR 58 2HG2 THR 58 4.565 -1.364 -7.620
428 H CYS 59 H CYS 59 7.719 1.272 -4.503
429 HA CYS 59 HA CYS 59 5.939 3.342 -3.391
430 1HB CYS 59 1HB CYS 59 8.128 4.525 -3.045
431 2HB CYS 59 2HB CYS 59 7.766 3.102 -2.055
432 H CYS 60 H CYS 60 4.863 3.893 -5.037
433 HA CYS 60 HA CYS 60 6.056 4.832 -7.601
434 1HB CYS 60 1HB CYS 60 4.297 2.953 -7.425
435 2HB CYS 60 2HB CYS 60 3.154 4.235 -6.990
436 H SER 61 H SER 61 4.847 6.654 -8.634
437 HA SER 61 HA SER 61 4.699 8.901 -6.733
438 1HB SER 61 1HB SER 61 4.415 10.237 -8.863
439 2HB SER 61 2HB SER 61 5.914 9.293 -8.789
440 HG SER 61 HG SER 61 4.799 9.029 -10.816
441 H THR 62 H THR 62 2.472 8.116 -9.331
442 HA THR 62 HA THR 62 0.127 8.082 -7.639
443 HB THR 62 HB THR 62 0.510 10.391 -7.461
444 HG1 THR 62 HG1 THR 62 -1.596 10.982 -8.062
445 1HG2 THR 62 1HG2 THR 62 0.085 10.542 -10.463
446 2HG2 THR 62 2HG2 THR 62 0.153 11.920 -9.351
447 3HG2 THR 62 3HG2 THR 62 1.593 10.920 -9.612
448 H ASP 63 H ASP 63 -1.859 8.249 -9.049
449 HA ASP 63 HA ASP 63 -3.282 7.601 -10.696
450 1HB ASP 63 1HB ASP 63 -0.978 7.789 -12.499
451 2HB ASP 63 2HB ASP 63 -2.616 7.326 -12.991
452 H LYS 64 H LYS 64 -3.511 5.905 -9.308
453 HA LYS 64 HA LYS 64 -3.946 3.770 -8.666
454 1HB LYS 64 1HB LYS 64 -3.826 3.220 -11.520
455 2HB LYS 64 2HB LYS 64 -4.200 2.014 -10.277
456 1HG LYS 64 1HG LYS 64 -5.968 3.544 -9.396
457 2HG LYS 64 2HG LYS 64 -5.641 4.642 -10.748
458 1HD LYS 64 1HD LYS 64 -6.166 2.815 -12.334
459 2HD LYS 64 2HD LYS 64 -6.542 1.754 -10.966
460 1HE LYS 64 HE1 LYS 64 -8.356 3.313 -10.285
461 2HE LYS 64 HE2 LYS 64 -8.002 4.316 -11.702
462 1HZ LYS 64 3HZ LYS 64 -8.441 2.423 -13.108
463 2HZ LYS 64 1HZ LYS 64 -8.781 1.462 -11.750
464 3HZ LYS 64 2HZ LYS 64 -9.788 2.773 -12.134
465 H CYS 65 H CYS 65 -1.599 2.858 -11.117
466 HA CYS 65 HA CYS 65 0.434 1.908 -11.173
467 1HB CYS 65 1HB CYS 65 0.899 4.081 -10.280
468 2HB CYS 65 2HB CYS 65 0.939 3.385 -8.651
469 H ASN 66 H ASN 66 -0.446 1.505 -7.698
470 HA ASN 66 HA ASN 66 1.219 -0.989 -7.610
471 1HB ASN 66 1HB ASN 66 2.186 -0.087 -5.547
472 2HB ASN 66 2HB ASN 66 2.428 1.063 -6.872
473 1HD2 ASN 66 2HD2 ASN 66 1.259 2.751 -3.670
474 2HD2 ASN 66 1HD2 ASN 66 2.483 1.568 -3.993
475 HA PRO 67 HA PRO 67 -2.644 -2.009 -5.437
476 1HB PRO 67 1HB PRO 67 -3.287 -4.327 -6.709
477 2HB PRO 67 2HB PRO 67 -3.584 -2.765 -7.490
478 1HG PRO 67 1HG PRO 67 -1.242 -4.665 -7.888
479 2HG PRO 67 2HG PRO 67 -2.211 -3.839 -9.119
480 1HD PRO 67 2HD PRO 67 0.210 -2.863 -8.268
481 2HD PRO 67 1HD PRO 67 -1.098 -1.800 -8.812
482 H HIS 68 H HIS 68 -3.112 -3.171 -3.819
483 HA HIS 68 HA HIS 68 -1.871 -4.354 -1.914
484 1HB HIS 68 1HB HIS 68 -3.987 -4.260 -1.627
485 2HB HIS 68 2HB HIS 68 -4.382 -5.148 -3.107
486 HD2 HIS 68 HD2 HIS 68 -4.480 -5.661 0.535
487 HE1 HIS 68 HE1 HIS 68 -2.964 -9.389 -0.746
488 HE2 HIS 68 HE2 HIS 68 -3.677 -7.965 1.262
489 HA PRO 69 HA PRO 69 -1.358 -8.916 -3.105
490 1HB PRO 69 1HB PRO 69 -1.626 -9.864 -5.633
491 2HB PRO 69 2HB PRO 69 -3.062 -9.476 -4.670
492 1HG PRO 69 1HG PRO 69 -1.672 -7.734 -6.756
493 2HG PRO 69 2HG PRO 69 -3.392 -8.144 -6.645
494 1HD PRO 69 2HD PRO 69 -2.461 -5.824 -5.581
495 2HD PRO 69 1HD PRO 69 -3.737 -6.741 -4.763
496 H LYS 70 H LYS 70 0.092 -10.493 -4.271
497 HA LYS 70 HA LYS 70 2.732 -9.348 -4.545
498 1HB LYS 70 1HB LYS 70 1.530 -12.073 -4.726
499 2HB LYS 70 2HB LYS 70 3.071 -11.809 -5.559
500 1HG LYS 70 1HG LYS 70 2.605 -10.963 -2.692
501 2HG LYS 70 2HG LYS 70 3.226 -12.564 -3.123
502 1HD LYS 70 1HD LYS 70 5.090 -11.512 -4.357
503 2HD LYS 70 2HD LYS 70 4.469 -9.908 -3.932
504 1HE LYS 70 HE1 LYS 70 5.489 -11.979 -1.971
505 2HE LYS 70 HE2 LYS 70 6.380 -10.552 -2.525
506 1HZ LYS 70 1HZ LYS 70 3.801 -10.531 -1.072
507 2HZ LYS 70 2HZ LYS 70 5.323 -10.169 -0.410
508 3HZ LYS 70 3HZ LYS 70 4.656 -9.163 -1.604
509 H GLN 71 H GLN 71 3.107 -7.967 -5.920
510 HA GLN 71 HA GLN 71 2.252 -7.922 -8.658
511 1HB GLN 71 1HB GLN 71 4.393 -6.443 -7.206
512 2HB GLN 71 2HB GLN 71 4.070 -6.236 -8.935
513 1HG GLN 71 1HG GLN 71 1.609 -5.872 -8.251
514 2HG GLN 71 2HG GLN 71 2.221 -5.692 -6.599
515 1HE2 GLN 71 2HE2 GLN 71 2.831 -2.772 -9.427
516 2HE2 GLN 71 1HE2 GLN 71 2.255 -4.346 -9.860
517 NH1 ARG 72 NH2 ARG 72 0.977 -15.826 -6.344
518 NH2 ARG 72 NH1 ARG 72 2.775 -17.066 -6.957
519 H ARG 72 H ARG 72 2.601 -10.085 -9.176
520 HA ARG 72 HA ARG 72 5.381 -11.058 -9.558
521 1HB ARG 72 1HB ARG 72 4.509 -13.270 -9.484
522 2HB ARG 72 2HB ARG 72 4.137 -12.336 -8.026
523 1HG ARG 72 1HG ARG 72 1.855 -11.925 -9.307
524 2HG ARG 72 2HG ARG 72 2.316 -13.434 -10.114
525 1HD ARG 72 1HD ARG 72 2.097 -13.067 -7.120
526 2HD ARG 72 2HD ARG 72 0.838 -13.770 -8.150
527 HE ARG 72 HE ARG 72 3.302 -15.177 -8.458
528 1HH1 ARG 72 1HH2 ARG 72 0.375 -15.039 -6.476
529 2HH1 ARG 72 2HH2 ARG 72 0.717 -16.554 -5.709
530 1HH2 ARG 72 1HH1 ARG 72 3.557 -17.233 -7.557
531 2HH2 ARG 72 2HH1 ARG 72 2.479 -17.771 -6.313
532 HA PRO 73 HA PRO 73 4.825 -10.658 -13.978
533 1HB PRO 73 1HB PRO 73 7.203 -12.536 -13.925
534 2HB PRO 73 2HB PRO 73 7.005 -11.035 -14.845
535 1HG PRO 73 1HG PRO 73 8.546 -11.023 -12.642
536 2HG PRO 73 2HG PRO 73 7.448 -9.663 -12.932
537 1HD PRO 73 2HD PRO 73 7.072 -12.044 -11.084
538 2HD PRO 73 1HD PRO 73 6.708 -10.337 -10.779
539 H GLY 74 H GLY 74 3.804 -11.863 -15.452
540 1HA GLY 74 1HA GLY 74 2.536 -14.320 -14.694
541 2HA GLY 74 2HA GLY 74 2.448 -13.539 -16.282
542 1H LYS 75 1H LYS 75 -2.742 8.350 7.997
543 2H LYS 75 2H LYS 75 -2.536 8.229 9.678
544 3H LYS 75 3H LYS 75 -1.924 7.016 8.659
545 HA LYS 75 HA LYS 75 -3.931 6.284 9.754
546 1HB LYS 75 1HB LYS 75 -4.774 8.550 10.109
547 2HB LYS 75 2HB LYS 75 -5.289 8.589 8.414
548 1HG LYS 75 1HG LYS 75 -6.764 6.673 8.790
549 2HG LYS 75 2HG LYS 75 -6.204 6.545 10.466
550 1HD LYS 75 1HD LYS 75 -7.143 8.731 10.989
551 2HD LYS 75 2HD LYS 75 -7.610 8.967 9.296
552 1HE LYS 75 HE1 LYS 75 -9.559 8.297 10.571
553 2HE LYS 75 HE2 LYS 75 -9.103 6.982 9.473
554 1HZ LYS 75 3HZ LYS 75 -8.013 5.885 11.299
555 2HZ LYS 75 1HZ LYS 75 -8.451 7.145 12.351
556 3HZ LYS 75 2HZ LYS 75 -9.650 6.169 11.651
557 H HIS 76 H HIS 76 -3.544 4.560 8.602
558 HA HIS 76 HA HIS 76 -4.648 4.217 5.879
559 1HB HIS 76 1HB HIS 76 -1.767 3.598 6.592
560 2HB HIS 76 2HB HIS 76 -2.560 3.261 5.044
561 HD2 HIS 76 HD2 HIS 76 -3.088 5.424 3.457
562 HE1 HIS 76 HE1 HIS 76 -0.817 8.245 5.626
563 HE2 HIS 76 HE2 HIS 76 -2.183 7.823 3.514
564 CH2 TRP 77 CH2 TRP 77 -9.181 4.094 8.936
565 H TRP 77 H TRP 77 -4.913 2.101 5.268
566 HA TRP 77 HA TRP 77 -5.217 0.233 7.563
567 1HB TRP 77 1HB TRP 77 -6.863 0.885 5.187
568 2HB TRP 77 2HB TRP 77 -6.887 -0.790 5.764
569 HD1 TRP 77 HD1 TRP 77 -8.261 -1.329 7.776
570 HE1 TRP 77 HE1 TRP 77 -9.600 -0.078 9.528
571 HE3 TRP 77 HE3 TRP 77 -7.077 3.382 6.323
572 HZ2 TRP 77 HZ2 TRP 77 -10.127 2.616 10.222
573 HZ3 TRP 77 HZ3 TRP 77 -8.088 5.317 7.528
574 HH2 TRP 77 HH2 TRP 77 -9.627 4.943 9.443
575 H VAL 78 H VAL 78 -4.353 -1.619 7.646
576 HA VAL 78 HA VAL 78 -3.017 -3.012 5.489
577 HB VAL 78 HB VAL 78 -3.200 -5.038 6.934
578 1HG1 VAL 78 3HG1 VAL 78 -1.148 -3.675 6.792
579 2HG1 VAL 78 1HG1 VAL 78 -1.779 -2.594 8.047
580 3HG1 VAL 78 2HG1 VAL 78 -1.404 -4.280 8.438
581 1HG2 VAL 78 3HG2 VAL 78 -4.227 -3.161 9.004
582 2HG2 VAL 78 1HG2 VAL 78 -5.049 -4.561 8.297
583 3HG2 VAL 78 2HG2 VAL 78 -3.594 -4.793 9.280
584 OH TYR 79 OH TYR 79 -10.833 -1.826 3.159
585 H TYR 79 H TYR 79 -3.807 -4.117 3.973
586 HA TYR 79 HA TYR 79 -6.353 -5.639 4.277
587 1HB TYR 79 1HB TYR 79 -5.290 -4.067 1.950
588 2HB TYR 79 2HB TYR 79 -6.236 -5.533 1.642
589 HD1 TYR 79 HD1 TYR 79 -8.597 -5.711 2.333
590 HD2 TYR 79 HD2 TYR 79 -6.300 -2.078 2.912
591 HE1 TYR 79 HE1 TYR 79 -10.723 -4.411 2.653
592 HE2 TYR 79 HE2 TYR 79 -8.426 -0.777 3.232
593 HH TYR 79 HH TYR 79 -10.615 -0.894 3.318
594 OH TYR 80 OH TYR 80 -2.320 -8.718 9.368
595 H TYR 80 H TYR 80 -6.445 -7.646 3.512
596 HA TYR 80 HA TYR 80 -3.791 -8.986 3.318
597 1HB TYR 80 1HB TYR 80 -6.195 -9.708 4.886
598 2HB TYR 80 2HB TYR 80 -5.003 -10.929 4.409
599 HD1 TYR 80 HD2 TYR 80 -5.307 -7.587 6.131
600 HD2 TYR 80 HD1 TYR 80 -3.053 -11.257 5.671
601 HE1 TYR 80 HE2 TYR 80 -4.158 -7.145 8.311
602 HE2 TYR 80 HE1 TYR 80 -1.916 -10.834 7.859
603 HH TYR 80 HH TYR 80 -2.647 -7.886 9.747
Start of MODEL 2
Raw file had 603 H/Q atoms
Start of MODEL 2
1 1H ILE 1 3H ILE 1 -3.213 12.819 -4.361
2 2H ILE 1 1H ILE 1 -2.165 11.946 -3.348
3 3H ILE 1 2H ILE 1 -1.545 13.145 -4.380
4 HA ILE 1 HA ILE 1 -2.171 11.881 -6.308
5 HB ILE 1 HB ILE 1 0.027 11.835 -5.453
6 1HG1 ILE 1 1HG1 ILE 1 0.792 9.787 -6.535
7 2HG1 ILE 1 2HG1 ILE 1 -0.906 9.327 -6.745
8 1HG2 ILE 1 1HG2 ILE 1 -0.746 9.258 -4.046
9 2HG2 ILE 1 2HG2 ILE 1 0.899 9.891 -4.230
10 3HG2 ILE 1 3HG2 ILE 1 -0.285 10.773 -3.251
11 1HD1 ILE 1 3HD1 ILE 1 -1.311 11.396 -8.020
12 2HD1 ILE 1 1HD1 ILE 1 0.388 11.857 -7.811
13 3HD1 ILE 1 2HD1 ILE 1 -0.031 10.423 -8.764
14 H VAL 2 H VAL 2 -3.275 10.341 -7.311
15 HA VAL 2 HA VAL 2 -5.489 9.146 -5.811
16 HB VAL 2 HB VAL 2 -5.031 9.298 -8.770
17 1HG1 VAL 2 1HG1 VAL 2 -7.511 8.539 -7.227
18 2HG1 VAL 2 2HG1 VAL 2 -7.408 8.808 -8.975
19 3HG1 VAL 2 3HG1 VAL 2 -6.529 7.460 -8.233
20 1HG2 VAL 2 3HG2 VAL 2 -6.787 10.936 -6.908
21 2HG2 VAL 2 1HG2 VAL 2 -5.322 11.514 -7.719
22 3HG2 VAL 2 2HG2 VAL 2 -6.745 11.067 -8.675
23 H CYS 3 H CYS 3 -4.471 7.530 -4.674
24 HA CYS 3 HA CYS 3 -4.191 4.902 -5.807
25 1HB CYS 3 1HB CYS 3 -1.777 4.663 -5.086
26 2HB CYS 3 2HB CYS 3 -2.260 5.171 -6.714
27 H HIS 4 H HIS 4 -1.946 5.107 -3.353
28 HA HIS 4 HA HIS 4 -3.866 3.723 -1.643
29 1HB HIS 4 1HB HIS 4 -0.915 3.905 -1.639
30 2HB HIS 4 2HB HIS 4 -1.850 3.100 -0.367
31 HD2 HIS 4 HD2 HIS 4 -0.894 2.687 -4.084
32 HE1 HIS 4 HE1 HIS 4 -3.609 -0.427 -3.273
33 HE2 HIS 4 HE2 HIS 4 -2.135 0.678 -5.023
34 H THR 5 H THR 5 -5.071 5.745 -1.234
35 HA THR 5 HA THR 5 -4.044 7.016 1.232
36 HB THR 5 HB THR 5 -5.351 8.542 -0.428
37 HG1 THR 5 HG1 THR 5 -6.075 9.609 1.524
38 1HG2 THR 5 1HG2 THR 5 -7.682 7.298 0.999
39 2HG2 THR 5 2HG2 THR 5 -7.696 8.765 0.005
40 3HG2 THR 5 3HG2 THR 5 -7.345 7.195 -0.738
41 H THR 6 H THR 6 -6.506 4.963 0.170
42 HA THR 6 HA THR 6 -7.328 3.021 0.968
43 HB THR 6 HB THR 6 -5.848 1.762 2.523
44 HG1 THR 6 HG1 THR 6 -3.692 2.636 2.447
45 1HG2 THR 6 1HG2 THR 6 -5.047 2.579 -0.238
46 2HG2 THR 6 2HG2 THR 6 -4.449 1.173 0.660
47 3HG2 THR 6 3HG2 THR 6 -6.163 1.283 0.224
48 H ALA 7 H ALA 7 -6.005 4.015 4.054
49 HA ALA 7 HA ALA 7 -7.046 3.186 6.096
50 1HB ALA 7 3HB ALA 7 -5.981 5.239 6.197
51 2HB ALA 7 1HB ALA 7 -7.404 6.086 5.567
52 3HB ALA 7 2HB ALA 7 -7.468 5.309 7.159
53 H THR 8 H THR 8 -9.439 5.567 4.985
54 HA THR 8 HA THR 8 -11.520 4.290 6.626
55 HB THR 8 HB THR 8 -10.987 6.791 6.576
56 HG1 THR 8 HG1 THR 8 -13.224 7.387 6.480
57 1HG2 THR 8 1HG2 THR 8 -12.086 6.757 3.812
58 2HG2 THR 8 2HG2 THR 8 -11.750 8.186 4.803
59 3HG2 THR 8 3HG2 THR 8 -10.426 7.114 4.317
60 H SER 9 H SER 9 -10.814 2.678 4.631
61 HA SER 9 HA SER 9 -13.311 1.751 3.596
62 1HB SER 9 1HB SER 9 -12.788 3.621 1.967
63 2HB SER 9 2HB SER 9 -11.270 2.795 1.574
64 HG SER 9 HG SER 9 -12.989 2.234 0.109
65 HA PRO 10 HA PRO 10 -10.512 -1.841 2.917
66 1HB PRO 10 1HB PRO 10 -12.233 -3.349 1.350
67 2HB PRO 10 2HB PRO 10 -12.246 -3.380 3.122
68 1HG PRO 10 1HG PRO 10 -14.017 -1.801 1.238
69 2HG PRO 10 2HG PRO 10 -14.469 -2.688 2.704
70 1HD PRO 10 2HD PRO 10 -14.156 0.008 2.771
71 2HD PRO 10 1HD PRO 10 -13.637 -0.988 4.141
72 H ILE 11 H ILE 11 -9.260 -0.446 1.925
73 HA ILE 11 HA ILE 11 -7.981 0.579 0.330
74 HB ILE 11 HB ILE 11 -9.163 -1.006 -1.866
75 1HG1 ILE 11 1HG1 ILE 11 -6.712 -1.745 -0.278
76 2HG1 ILE 11 2HG1 ILE 11 -8.310 -2.374 0.158
77 1HG2 ILE 11 3HG2 ILE 11 -7.782 0.955 -2.438
78 2HG2 ILE 11 1HG2 ILE 11 -6.500 0.381 -1.359
79 3HG2 ILE 11 2HG2 ILE 11 -6.914 -0.544 -2.812
80 1HD1 ILE 11 1HD1 ILE 11 -6.908 -2.785 -2.501
81 2HD1 ILE 11 2HD1 ILE 11 -7.065 -3.987 -1.207
82 3HD1 ILE 11 3HD1 ILE 11 -8.507 -3.414 -2.065
83 H SER 12 H SER 12 -8.580 2.634 0.285
84 HA SER 12 HA SER 12 -10.389 3.371 -1.978
85 1HB SER 12 1HB SER 12 -10.477 5.637 -1.044
86 2HB SER 12 2HB SER 12 -11.065 4.451 0.133
87 HG SER 12 HG SER 12 -9.591 5.974 1.072
88 H ALA 13 H ALA 13 -9.283 3.131 -3.629
89 HA ALA 13 HA ALA 13 -6.496 3.859 -3.943
90 1HB ALA 13 3HB ALA 13 -7.350 1.943 -5.045
91 2HB ALA 13 1HB ALA 13 -8.531 2.924 -5.932
92 3HB ALA 13 2HB ALA 13 -6.798 3.131 -6.237
93 H VAL 14 H VAL 14 -7.440 6.072 -3.036
94 HA VAL 14 HA VAL 14 -8.000 7.947 -5.287
95 HB VAL 14 HB VAL 14 -9.424 9.261 -3.848
96 1HG1 VAL 14 1HG1 VAL 14 -10.300 6.519 -4.637
97 2HG1 VAL 14 2HG1 VAL 14 -11.366 7.886 -4.271
98 3HG1 VAL 14 3HG1 VAL 14 -10.246 7.978 -5.641
99 1HG2 VAL 14 3HG2 VAL 14 -9.547 6.788 -2.101
100 2HG2 VAL 14 1HG2 VAL 14 -8.929 8.374 -1.610
101 3HG2 VAL 14 2HG2 VAL 14 -10.640 8.179 -2.023
102 H THR 15 H THR 15 -8.079 10.258 -3.989
103 HA THR 15 HA THR 15 -5.404 11.173 -4.030
104 HB THR 15 HB THR 15 -6.517 13.271 -2.957
105 HG1 THR 15 HG1 THR 15 -8.848 13.124 -3.029
106 1HG2 THR 15 1HG2 THR 15 -7.581 12.243 -5.560
107 2HG2 THR 15 2HG2 THR 15 -7.644 13.915 -4.978
108 3HG2 THR 15 3HG2 THR 15 -6.080 13.149 -5.304
109 H CYS 16 H CYS 16 -3.921 10.552 -2.783
110 HA CYS 16 HA CYS 16 -3.956 10.425 0.067
111 1HB CYS 16 1HB CYS 16 -1.730 10.969 -1.903
112 2HB CYS 16 2HB CYS 16 -1.476 10.764 -0.161
113 HA PRO 17 HA PRO 17 -3.906 14.704 1.428
114 1HB PRO 17 1HB PRO 17 -1.963 13.488 3.419
115 2HB PRO 17 2HB PRO 17 -3.292 14.620 3.719
116 1HG PRO 17 1HG PRO 17 -3.672 12.032 4.252
117 2HG PRO 17 2HG PRO 17 -4.956 12.922 3.417
118 1HD PRO 17 2HD PRO 17 -2.908 11.013 2.268
119 2HD PRO 17 1HD PRO 17 -4.618 11.200 1.840
120 HA PRO 18 HA PRO 18 -0.210 16.240 -0.560
121 1HB PRO 18 1HB PRO 18 -0.965 18.755 0.906
122 2HB PRO 18 2HB PRO 18 -0.577 18.531 -0.809
123 1HG PRO 18 1HG PRO 18 -3.142 18.814 -0.087
124 2HG PRO 18 2HG PRO 18 -2.722 17.583 -1.291
125 1HD PRO 18 2HD PRO 18 -3.266 17.227 1.676
126 2HD PRO 18 1HD PRO 18 -3.825 16.231 0.322
127 H GLY 19 H GLY 19 1.467 15.382 0.197
128 1HA GLY 19 1HA GLY 19 3.384 16.909 1.579
129 2HA GLY 19 2HA GLY 19 2.779 15.682 2.706
130 H GLU 20 H GLU 20 4.684 16.328 -0.068
131 HA GLU 20 HA GLU 20 5.306 14.835 -1.920
132 1HB GLU 20 1HB GLU 20 7.065 15.841 -0.354
133 2HB GLU 20 2HB GLU 20 7.098 14.275 0.474
134 1HG GLU 20 1HG GLU 20 8.975 14.545 -1.073
135 2HG GLU 20 2HG GLU 20 7.925 13.194 -1.529
136 H ASN 21 H ASN 21 3.285 13.814 -1.636
137 HA ASN 21 HA ASN 21 3.319 11.068 -0.615
138 1HB ASN 21 1HB ASN 21 0.911 11.194 -1.673
139 2HB ASN 21 2HB ASN 21 1.265 12.051 -0.162
140 1HD2 ASN 21 2HD2 ASN 21 0.545 14.204 -3.604
141 2HD2 ASN 21 1HD2 ASN 21 1.017 12.540 -3.713
142 H LEU 22 H LEU 22 4.681 9.933 -1.474
143 HA LEU 22 HA LEU 22 3.729 8.599 -3.941
144 1HB LEU 22 1HB LEU 22 5.480 7.030 -3.652
145 2HB LEU 22 2HB LEU 22 5.939 8.713 -3.958
146 HG LEU 22 HG LEU 22 6.426 8.896 -1.480
147 1HD1 LEU 22 3HD1 LEU 22 5.252 6.878 -0.686
148 2HD1 LEU 22 1HD1 LEU 22 6.347 5.865 -1.642
149 3HD1 LEU 22 2HD1 LEU 22 6.979 6.818 -0.289
150 1HD2 LEU 22 1HD2 LEU 22 8.135 8.663 -3.269
151 2HD2 LEU 22 2HD2 LEU 22 8.638 7.775 -1.821
152 3HD2 LEU 22 3HD2 LEU 22 7.964 6.901 -3.206
153 H CYS 23 H CYS 23 2.957 6.754 -4.068
154 HA CYS 23 HA CYS 23 1.518 5.467 -1.803
155 1HB CYS 23 1HB CYS 23 1.247 5.432 -4.843
156 2HB CYS 23 2HB CYS 23 0.282 4.408 -3.767
157 OH TYR 24 OH TYR 24 3.650 3.131 4.567
158 H TYR 24 H TYR 24 2.215 3.495 -1.166
159 HA TYR 24 HA TYR 24 4.372 2.199 -2.763
160 1HB TYR 24 1HB TYR 24 5.863 2.158 -0.856
161 2HB TYR 24 2HB TYR 24 5.456 3.829 -1.286
162 HD1 TYR 24 HD2 TYR 24 3.015 4.427 0.285
163 HD2 TYR 24 HD1 TYR 24 6.573 2.157 1.252
164 HE1 TYR 24 HE2 TYR 24 2.430 4.558 2.721
165 HE2 TYR 24 HE1 TYR 24 6.016 2.331 3.700
166 HH TYR 24 HH TYR 24 2.830 3.635 4.690
167 NH1 ARG 25 NH2 ARG 25 2.781 -2.741 -5.814
168 NH2 ARG 25 NH1 ARG 25 1.421 -3.109 -7.576
169 H ARG 25 H ARG 25 2.665 0.939 -3.370
170 HA ARG 25 HA ARG 25 1.789 -1.088 -1.438
171 1HB ARG 25 1HB ARG 25 0.341 -0.124 -3.258
172 2HB ARG 25 2HB ARG 25 1.349 -0.991 -4.428
173 1HG ARG 25 1HG ARG 25 -0.129 -2.453 -2.267
174 2HG ARG 25 2HG ARG 25 -0.937 -1.959 -3.765
175 1HD ARG 25 1HD ARG 25 1.517 -3.707 -3.646
176 2HD ARG 25 2HD ARG 25 -0.145 -4.315 -3.733
177 HE ARG 25 HE ARG 25 -0.276 -3.686 -5.952
178 1HH1 ARG 25 1HH2 ARG 25 2.973 -2.790 -4.834
179 2HH1 ARG 25 2HH2 ARG 25 3.500 -2.465 -6.451
180 1HH2 ARG 25 1HH1 ARG 25 0.560 -3.437 -7.962
181 2HH2 ARG 25 2HH1 ARG 25 2.167 -2.831 -8.181
182 H LYS 26 H LYS 26 2.524 -2.799 -0.889
183 HA LYS 26 HA LYS 26 2.793 -4.889 -2.776
184 1HB LYS 26 1HB LYS 26 5.239 -3.860 -2.650
185 2HB LYS 26 2HB LYS 26 5.193 -5.538 -2.083
186 1HG LYS 26 1HG LYS 26 3.757 -6.124 -4.031
187 2HG LYS 26 2HG LYS 26 3.902 -4.456 -4.610
188 1HD LYS 26 1HD LYS 26 6.351 -4.725 -4.776
189 2HD LYS 26 2HD LYS 26 6.206 -6.393 -4.197
190 1HE LYS 26 HE1 LYS 26 6.374 -6.483 -6.598
191 2HE LYS 26 HE2 LYS 26 4.693 -6.847 -6.177
192 1HZ LYS 26 1HZ LYS 26 5.742 -4.213 -7.006
193 2HZ LYS 26 2HZ LYS 26 4.835 -5.275 -7.973
194 3HZ LYS 26 3HZ LYS 26 4.130 -4.562 -6.602
195 H MET 27 H MET 27 4.422 -6.629 -1.354
196 HA MET 27 HA MET 27 2.590 -7.498 0.842
197 1HB MET 27 1HB MET 27 3.908 -9.085 -1.377
198 2HB MET 27 2HB MET 27 3.038 -9.801 -0.010
199 1HG MET 27 1HG MET 27 1.605 -9.918 -1.869
200 2HG MET 27 2HG MET 27 0.981 -8.634 -0.819
201 1HE MET 27 1HE MET 27 -0.601 -8.025 -2.910
202 2HE MET 27 2HE MET 27 0.016 -7.590 -4.513
203 3HE MET 27 3HE MET 27 0.197 -9.248 -3.913
204 CH2 TRP 28 CH2 TRP 28 2.198 -4.095 4.183
205 H TRP 28 H TRP 28 3.538 -8.311 2.641
206 HA TRP 28 HA TRP 28 6.300 -9.324 2.626
207 1HB TRP 28 1HB TRP 28 7.220 -7.829 4.156
208 2HB TRP 28 2HB TRP 28 6.619 -6.973 2.726
209 HD1 TRP 28 HD1 TRP 28 6.396 -7.063 6.439
210 HE1 TRP 28 HE1 TRP 28 4.491 -5.671 7.345
211 HE3 TRP 28 HE3 TRP 28 4.468 -5.493 2.019
212 HZ2 TRP 28 HZ2 TRP 28 2.269 -4.264 6.357
213 HZ3 TRP 28 HZ3 TRP 28 2.408 -4.096 2.030
214 HH2 TRP 28 HH2 TRP 28 1.295 -3.495 4.171
215 H CYS 29 H CYS 29 6.714 -9.273 5.427
216 HA CYS 29 HA CYS 29 4.505 -10.988 6.470
217 1HB CYS 29 1HB CYS 29 7.449 -11.133 7.083
218 2HB CYS 29 2HB CYS 29 6.184 -12.092 7.870
219 H ASP 30 H ASP 30 3.377 -10.085 8.049
220 HA ASP 30 HA ASP 30 4.900 -8.783 10.285
221 1HB ASP 30 1HB ASP 30 2.045 -8.451 9.496
222 2HB ASP 30 2HB ASP 30 2.624 -8.122 11.138
223 H ALA 31 H ALA 31 5.600 -10.862 10.734
224 HA ALA 31 HA ALA 31 5.814 -12.711 12.056
225 1HB ALA 31 1HB ALA 31 3.158 -11.836 13.253
226 2HB ALA 31 2HB ALA 31 4.250 -13.054 13.935
227 3HB ALA 31 3HB ALA 31 4.761 -11.360 13.838
228 H PHE 32 H PHE 32 2.546 -12.735 10.880
229 HA PHE 32 HA PHE 32 2.046 -15.500 11.088
230 1HB PHE 32 1HB PHE 32 1.049 -13.383 9.155
231 2HB PHE 32 2HB PHE 32 0.394 -15.028 9.213
232 HD1 PHE 32 HD1 PHE 32 -0.689 -15.845 11.393
233 HD2 PHE 32 HD2 PHE 32 0.280 -11.695 10.622
234 HE1 PHE 32 HE1 PHE 32 -2.524 -15.129 12.938
235 HE2 PHE 32 HE2 PHE 32 -1.556 -10.978 12.169
236 HZ PHE 32 HZ PHE 32 -2.946 -12.703 13.312
237 H CYS 33 H CYS 33 1.935 -14.754 7.761
238 HA CYS 33 HA CYS 33 2.938 -15.654 5.898
239 1HB CYS 33 1HB CYS 33 5.222 -14.878 7.665
240 2HB CYS 33 2HB CYS 33 5.571 -15.849 6.224
241 H SER 34 H SER 34 4.963 -17.526 7.989
242 HA SER 34 HA SER 34 4.751 -19.911 6.512
243 1HB SER 34 1HB SER 34 5.354 -20.962 8.767
244 2HB SER 34 2HB SER 34 6.451 -19.715 8.152
245 HG SER 34 HG SER 34 5.873 -19.363 10.384
246 H SER 35 H SER 35 2.843 -18.819 9.315
247 HA SER 35 HA SER 35 0.525 -20.475 8.412
248 1HB SER 35 1HB SER 35 -0.548 -19.679 10.514
249 2HB SER 35 2HB SER 35 0.921 -20.627 10.800
250 HG SER 35 HG SER 35 0.847 -18.696 12.090
251 NH1 ARG 36 NH2 ARG 36 -6.530 -15.204 8.216
252 NH2 ARG 36 NH1 ARG 36 -5.708 -13.136 7.705
253 H ARG 36 H ARG 36 -0.231 -19.446 6.730
254 HA ARG 36 HA ARG 36 -1.198 -17.924 5.315
255 1HB ARG 36 1HB ARG 36 -2.838 -16.357 6.217
256 2HB ARG 36 2HB ARG 36 -3.047 -17.986 6.884
257 1HG ARG 36 1HG ARG 36 -2.019 -17.264 8.980
258 2HG ARG 36 2HG ARG 36 -1.799 -15.636 8.315
259 1HD ARG 36 1HD ARG 36 -4.541 -16.877 8.459
260 2HD ARG 36 2HD ARG 36 -3.825 -16.091 9.877
261 HE ARG 36 HE ARG 36 -3.493 -14.178 8.020
262 1HH1 ARG 36 1HH2 ARG 36 -6.392 -16.163 8.462
263 2HH1 ARG 36 2HH2 ARG 36 -7.455 -14.852 8.072
264 1HH2 ARG 36 1HH1 ARG 36 -4.941 -12.511 7.560
265 2HH2 ARG 36 2HH1 ARG 36 -6.645 -12.816 7.566
266 H GLY 37 H GLY 37 -0.378 -16.987 3.968
267 1HA GLY 37 1HA GLY 37 1.888 -15.265 4.703
268 2HA GLY 37 2HA GLY 37 1.625 -16.074 3.149
269 H LYS 38 H LYS 38 2.624 -13.752 3.204
270 HA LYS 38 HA LYS 38 2.655 -11.700 2.248
271 1HB LYS 38 1HB LYS 38 0.702 -13.109 0.605
272 2HB LYS 38 2HB LYS 38 1.102 -11.409 0.304
273 1HG LYS 38 1HG LYS 38 3.377 -11.880 -0.060
274 2HG LYS 38 2HG LYS 38 3.279 -13.446 0.764
275 1HD LYS 38 1HD LYS 38 1.922 -14.342 -1.077
276 2HD LYS 38 2HD LYS 38 1.981 -12.772 -1.895
277 1HE LYS 38 HE1 LYS 38 4.562 -14.111 -1.160
278 2HE LYS 38 HE2 LYS 38 3.656 -14.713 -2.558
279 1HZ LYS 38 3HZ LYS 38 3.651 -12.496 -3.463
280 2HZ LYS 38 1HZ LYS 38 4.519 -11.919 -2.123
281 3HZ LYS 38 2HZ LYS 38 5.238 -13.032 -3.186
282 H VAL 39 H VAL 39 2.179 -10.690 4.154
283 HA VAL 39 HA VAL 39 -0.356 -9.416 4.737
284 HB VAL 39 HB VAL 39 2.477 -8.792 5.665
285 1HG1 VAL 39 1HG1 VAL 39 -0.159 -7.808 6.780
286 2HG1 VAL 39 2HG1 VAL 39 1.440 -7.539 7.494
287 3HG1 VAL 39 3HG1 VAL 39 1.041 -6.828 5.921
288 1HG2 VAL 39 3HG2 VAL 39 0.207 -10.283 7.037
289 2HG2 VAL 39 1HG2 VAL 39 1.677 -11.021 6.380
290 3HG2 VAL 39 2HG2 VAL 39 1.782 -9.910 7.756
291 H VAL 40 H VAL 40 -1.110 -8.450 3.081
292 HA VAL 40 HA VAL 40 0.465 -6.311 1.731
293 HB VAL 40 HB VAL 40 0.021 -7.972 0.195
294 1HG1 VAL 40 3HG1 VAL 40 -1.969 -9.074 1.154
295 2HG1 VAL 40 1HG1 VAL 40 -2.945 -7.645 0.771
296 3HG1 VAL 40 2HG1 VAL 40 -2.238 -8.612 -0.536
297 1HG2 VAL 40 1HG2 VAL 40 0.194 -5.870 -0.658
298 2HG2 VAL 40 2HG2 VAL 40 -1.025 -6.792 -1.555
299 3HG2 VAL 40 3HG2 VAL 40 -1.528 -5.547 -0.400
300 H GLU 41 H GLU 41 -0.073 -4.434 1.710
301 HA GLU 41 HA GLU 41 -2.718 -3.396 1.381
302 1HB GLU 41 1HB GLU 41 -2.808 -1.854 3.228
303 2HB GLU 41 2HB GLU 41 -2.733 -3.515 3.844
304 1HG GLU 41 1HG GLU 41 -0.587 -3.230 4.703
305 2HG GLU 41 2HG GLU 41 -0.263 -1.812 3.691
306 H LEU 42 H LEU 42 -2.326 -0.760 1.122
307 HA LEU 42 HA LEU 42 0.063 0.051 2.397
308 1HB LEU 42 1HB LEU 42 0.802 -0.429 -0.213
309 2HB LEU 42 2HB LEU 42 1.211 1.170 0.429
310 HG LEU 42 HG LEU 42 1.313 -0.900 2.511
311 1HD1 LEU 42 3HD1 LEU 42 1.989 -2.381 0.698
312 2HD1 LEU 42 1HD1 LEU 42 3.242 -1.226 0.217
313 3HD1 LEU 42 2HD1 LEU 42 3.337 -2.030 1.792
314 1HD2 LEU 42 1HD2 LEU 42 2.246 1.369 2.670
315 2HD2 LEU 42 2HD2 LEU 42 3.510 0.146 2.878
316 3HD2 LEU 42 3HD2 LEU 42 3.355 1.006 1.336
317 H GLY 43 H GLY 43 0.595 2.259 2.298
318 1HA GLY 43 1HA GLY 43 -1.774 4.004 1.843
319 2HA GLY 43 2HA GLY 43 -0.688 4.160 3.234
320 H CYS 44 H CYS 44 -0.056 6.099 2.998
321 HA CYS 44 HA CYS 44 1.586 6.890 0.657
322 1HB CYS 44 1HB CYS 44 -1.051 7.903 1.327
323 2HB CYS 44 2HB CYS 44 0.161 9.190 1.436
324 H ALA 45 H ALA 45 3.404 7.394 1.188
325 HA ALA 45 HA ALA 45 3.932 8.891 3.715
326 1HB ALA 45 1HB ALA 45 5.675 6.791 2.363
327 2HB ALA 45 2HB ALA 45 6.110 7.716 3.811
328 3HB ALA 45 3HB ALA 45 4.765 6.563 3.866
329 H ALA 46 H ALA 46 5.307 10.539 3.640
330 HA ALA 46 HA ALA 46 5.776 12.001 1.204
331 1HB ALA 46 3HB ALA 46 5.495 13.032 3.447
332 2HB ALA 46 1HB ALA 46 6.988 12.251 3.994
333 3HB ALA 46 2HB ALA 46 7.049 13.496 2.734
334 H THR 47 H THR 47 7.259 9.285 1.730
335 HA THR 47 HA THR 47 9.335 9.522 -0.138
336 HB THR 47 HB THR 47 10.497 10.921 1.534
337 HG1 THR 47 HG1 THR 47 12.438 9.678 1.483
338 1HG2 THR 47 1HG2 THR 47 10.474 8.466 3.318
339 2HG2 THR 47 2HG2 THR 47 11.394 9.953 3.605
340 3HG2 THR 47 3HG2 THR 47 9.622 9.986 3.640
341 H CYS 48 H CYS 48 10.866 7.598 0.053
342 HA CYS 48 HA CYS 48 9.229 5.186 0.641
343 1HB CYS 48 1HB CYS 48 10.050 5.862 -1.687
344 2HB CYS 48 2HB CYS 48 11.644 5.331 -1.125
345 HA PRO 49 HA PRO 49 12.107 5.171 4.102
346 1HB PRO 49 1HB PRO 49 10.899 3.256 5.624
347 2HB PRO 49 2HB PRO 49 10.187 4.868 5.434
348 1HG PRO 49 1HG PRO 49 9.494 2.304 3.960
349 2HG PRO 49 2HG PRO 49 8.398 3.502 4.668
350 1HD PRO 49 2HD PRO 49 8.997 3.494 1.999
351 2HD PRO 49 1HD PRO 49 8.663 4.996 2.878
352 H SER 50 H SER 50 13.812 4.660 2.962
353 HA SER 50 HA SER 50 14.853 1.974 2.767
354 1HB SER 50 1HB SER 50 15.632 3.841 1.380
355 2HB SER 50 2HB SER 50 16.266 4.648 2.824
356 HG SER 50 HG SER 50 17.900 3.446 1.691
357 H LYS 51 H LYS 51 16.577 1.137 3.964
358 HA LYS 51 HA LYS 51 17.751 0.468 5.815
359 1HB LYS 51 1HB LYS 51 16.716 2.769 7.332
360 2HB LYS 51 2HB LYS 51 17.859 1.540 7.901
361 1HG LYS 51 1HG LYS 51 19.553 2.261 6.450
362 2HG LYS 51 2HG LYS 51 18.413 3.061 5.355
363 1HD LYS 51 1HD LYS 51 17.897 4.715 7.155
364 2HD LYS 51 2HD LYS 51 19.117 3.944 8.181
365 1HE LYS 51 HE1 LYS 51 20.879 4.552 6.627
366 2HE LYS 51 HE2 LYS 51 19.692 5.191 5.477
367 1HZ LYS 51 3HZ LYS 51 19.019 6.803 7.126
368 2HZ LYS 51 1HZ LYS 51 20.155 6.191 8.228
369 3HZ LYS 51 2HZ LYS 51 20.680 6.941 6.797
370 H LYS 52 H LYS 52 14.419 0.649 5.567
371 HA LYS 52 HA LYS 52 13.664 -0.968 7.853
372 1HB LYS 52 1HB LYS 52 11.542 -0.992 6.963
373 2HB LYS 52 2HB LYS 52 12.189 0.514 6.292
374 1HG LYS 52 1HG LYS 52 12.548 -0.583 4.135
375 2HG LYS 52 2HG LYS 52 11.944 -2.110 4.800
376 1HD LYS 52 1HD LYS 52 9.785 -0.930 5.335
377 2HD LYS 52 2HD LYS 52 10.403 0.480 4.456
378 1HE LYS 52 HE1 LYS 52 9.107 -0.615 2.850
379 2HE LYS 52 HE2 LYS 52 10.745 -1.187 2.490
380 1HZ LYS 52 1HZ LYS 52 8.725 -2.615 4.107
381 2HZ LYS 52 2HZ LYS 52 9.165 -2.980 2.509
382 3HZ LYS 52 3HZ LYS 52 10.296 -3.162 3.764
383 HA PRO 53 HA PRO 53 14.897 -5.102 6.717
384 1HB PRO 53 1HB PRO 53 12.035 -5.801 7.433
385 2HB PRO 53 2HB PRO 53 13.530 -6.632 7.894
386 1HG PRO 53 1HG PRO 53 12.354 -5.013 9.676
387 2HG PRO 53 2HG PRO 53 14.114 -4.941 9.492
388 1HD PRO 53 2HD PRO 53 12.009 -3.059 8.398
389 2HD PRO 53 1HD PRO 53 13.603 -2.674 9.071
390 OH TYR 54 OH TYR 54 17.641 0.138 2.714
391 H TYR 54 H TYR 54 15.182 -5.358 4.646
392 HA TYR 54 HA TYR 54 13.297 -4.344 2.679
393 1HB TYR 54 1HB TYR 54 15.983 -5.740 2.443
394 2HB TYR 54 2HB TYR 54 15.078 -5.094 1.064
395 HD1 TYR 54 HD1 TYR 54 14.126 -2.532 1.701
396 HD2 TYR 54 HD2 TYR 54 17.800 -4.413 3.052
397 HE1 TYR 54 HE1 TYR 54 15.195 -0.267 1.939
398 HE2 TYR 54 HE2 TYR 54 18.872 -2.153 3.259
399 HH TYR 54 HH TYR 54 18.556 0.059 3.026
400 H GLU 55 H GLU 55 11.579 -5.109 2.801
401 HA GLU 55 HA GLU 55 11.047 -7.783 1.580
402 1HB GLU 55 1HB GLU 55 9.512 -6.139 3.628
403 2HB GLU 55 2HB GLU 55 8.911 -7.633 2.888
404 1HG GLU 55 1HG GLU 55 10.671 -8.923 3.924
405 2HG GLU 55 2HG GLU 55 11.454 -7.452 4.527
406 H GLU 56 H GLU 56 9.163 -7.723 0.060
407 HA GLU 56 HA GLU 56 9.649 -5.578 -1.750
408 1HB GLU 56 1HB GLU 56 8.034 -6.500 -3.231
409 2HB GLU 56 2HB GLU 56 9.344 -7.577 -2.719
410 1HG GLU 56 1HG GLU 56 7.921 -8.921 -1.465
411 2HG GLU 56 2HG GLU 56 6.668 -7.673 -1.367
412 H VAL 57 H VAL 57 9.085 -3.678 -1.398
413 HA VAL 57 HA VAL 57 6.229 -2.892 -1.530
414 HB VAL 57 HB VAL 57 8.340 -2.003 0.435
415 1HG1 VAL 57 3HG1 VAL 57 7.686 0.121 -0.627
416 2HG1 VAL 57 1HG1 VAL 57 5.980 -0.259 -0.335
417 3HG1 VAL 57 2HG1 VAL 57 7.074 0.010 1.033
418 1HG2 VAL 57 3HG2 VAL 57 5.426 -2.598 0.764
419 2HG2 VAL 57 1HG2 VAL 57 6.799 -3.620 1.221
420 3HG2 VAL 57 2HG2 VAL 57 6.534 -2.074 2.044
421 H THR 58 H THR 58 5.928 -1.651 -3.230
422 HA THR 58 HA THR 58 8.244 -0.315 -4.574
423 HB THR 58 HB THR 58 7.044 -0.562 -6.706
424 HG1 THR 58 HG1 THR 58 5.438 -2.229 -6.762
425 1HG2 THR 58 3HG2 THR 58 8.933 -1.932 -6.156
426 2HG2 THR 58 1HG2 THR 58 7.887 -3.083 -5.307
427 3HG2 THR 58 2HG2 THR 58 7.723 -2.862 -7.057
428 H CYS 59 H CYS 59 8.230 1.668 -4.488
429 HA CYS 59 HA CYS 59 5.801 3.287 -3.903
430 1HB CYS 59 1HB CYS 59 7.550 4.967 -3.166
431 2HB CYS 59 2HB CYS 59 7.448 3.489 -2.193
432 H CYS 60 H CYS 60 4.808 4.260 -5.212
433 HA CYS 60 HA CYS 60 6.127 5.501 -7.584
434 1HB CYS 60 1HB CYS 60 4.843 3.239 -7.864
435 2HB CYS 60 2HB CYS 60 3.401 4.263 -7.755
436 H SER 61 H SER 61 5.297 7.353 -8.363
437 HA SER 61 HA SER 61 3.064 8.660 -6.837
438 1HB SER 61 1HB SER 61 5.578 9.888 -8.023
439 2HB SER 61 2HB SER 61 4.211 10.829 -7.405
440 HG SER 61 HG SER 61 5.854 10.487 -5.784
441 H THR 62 H THR 62 3.097 7.184 -9.563
442 HA THR 62 HA THR 62 1.480 9.321 -10.911
443 HB THR 62 HB THR 62 1.726 7.837 -12.960
444 HG1 THR 62 HG1 THR 62 3.620 6.562 -12.931
445 1HG2 THR 62 1HG2 THR 62 4.154 9.299 -11.860
446 2HG2 THR 62 2HG2 THR 62 3.870 8.895 -13.561
447 3HG2 THR 62 3HG2 THR 62 2.807 10.047 -12.735
448 H ASP 63 H ASP 63 -0.397 8.948 -9.808
449 HA ASP 63 HA ASP 63 -2.308 7.888 -9.022
450 1HB ASP 63 1HB ASP 63 -3.591 6.683 -10.661
451 2HB ASP 63 2HB ASP 63 -3.048 8.312 -11.100
452 H LYS 64 H LYS 64 -3.427 5.312 -9.359
453 HA LYS 64 HA LYS 64 -1.600 3.486 -7.994
454 1HB LYS 64 1HB LYS 64 -3.407 1.771 -8.374
455 2HB LYS 64 2HB LYS 64 -3.887 3.177 -7.407
456 1HG LYS 64 1HG LYS 64 -4.427 3.372 -10.322
457 2HG LYS 64 2HG LYS 64 -5.381 2.172 -9.432
458 1HD LYS 64 1HD LYS 64 -6.066 3.878 -7.820
459 2HD LYS 64 2HD LYS 64 -5.058 5.084 -8.639
460 1HE LYS 64 HE1 LYS 64 -6.639 5.485 -10.207
461 2HE LYS 64 HE2 LYS 64 -6.979 3.761 -10.432
462 1HZ LYS 64 3HZ LYS 64 -8.208 3.773 -8.373
463 2HZ LYS 64 1HZ LYS 64 -7.882 5.426 -8.157
464 3HZ LYS 64 2HZ LYS 64 -8.849 4.913 -9.456
465 H CYS 65 H CYS 65 -0.122 4.192 -9.637
466 HA CYS 65 HA CYS 65 0.666 2.350 -11.628
467 1HB CYS 65 1HB CYS 65 1.804 4.373 -11.326
468 2HB CYS 65 2HB CYS 65 1.913 4.150 -9.572
469 H ASN 66 H ASN 66 1.043 2.369 -8.116
470 HA ASN 66 HA ASN 66 1.592 -0.552 -8.012
471 1HB ASN 66 1HB ASN 66 2.110 -0.111 -5.652
472 2HB ASN 66 2HB ASN 66 3.133 0.807 -6.770
473 1HD2 ASN 66 2HD2 ASN 66 1.178 2.768 -3.833
474 2HD2 ASN 66 1HD2 ASN 66 1.304 1.042 -3.896
475 HA PRO 67 HA PRO 67 -2.603 -0.405 -6.389
476 1HB PRO 67 1HB PRO 67 -4.112 -1.750 -8.203
477 2HB PRO 67 2HB PRO 67 -3.542 -0.108 -8.546
478 1HG PRO 67 1HG PRO 67 -2.423 -2.749 -9.519
479 2HG PRO 67 2HG PRO 67 -2.628 -1.234 -10.413
480 1HD PRO 67 2HD PRO 67 -0.236 -2.069 -9.217
481 2HD PRO 67 1HD PRO 67 -0.612 -0.395 -9.661
482 H HIS 68 H HIS 68 -3.474 -1.689 -4.884
483 HA HIS 68 HA HIS 68 -2.645 -4.492 -4.619
484 1HB HIS 68 1HB HIS 68 -3.053 -3.048 -2.632
485 2HB HIS 68 2HB HIS 68 -4.763 -2.943 -3.086
486 HD2 HIS 68 HD2 HIS 68 -3.612 -4.382 -0.288
487 HE1 HIS 68 HE1 HIS 68 -4.888 -7.991 -2.071
488 HE2 HIS 68 HE2 HIS 68 -4.265 -6.814 0.103
489 HA PRO 69 HA PRO 69 -6.049 -5.898 -7.139
490 1HB PRO 69 1HB PRO 69 -5.267 -8.483 -7.455
491 2HB PRO 69 2HB PRO 69 -4.435 -7.159 -8.291
492 1HG PRO 69 1HG PRO 69 -3.612 -8.627 -5.768
493 2HG PRO 69 2HG PRO 69 -2.608 -8.130 -7.140
494 1HD PRO 69 2HD PRO 69 -2.816 -6.678 -4.776
495 2HD PRO 69 1HD PRO 69 -2.371 -5.961 -6.333
496 H LYS 70 H LYS 70 -7.194 -5.366 -5.226
497 HA LYS 70 HA LYS 70 -7.861 -6.574 -2.905
498 1HB LYS 70 1HB LYS 70 -8.897 -4.529 -4.009
499 2HB LYS 70 2HB LYS 70 -9.929 -5.637 -4.929
500 1HG LYS 70 1HG LYS 70 -10.850 -6.520 -2.816
501 2HG LYS 70 2HG LYS 70 -9.830 -5.393 -1.907
502 1HD LYS 70 1HD LYS 70 -10.977 -3.488 -2.957
503 2HD LYS 70 2HD LYS 70 -11.979 -4.601 -3.904
504 1HE LYS 70 HE1 LYS 70 -12.899 -5.549 -1.821
505 2HE LYS 70 HE2 LYS 70 -11.895 -4.441 -0.871
506 1HZ LYS 70 3HZ LYS 70 -13.000 -2.595 -1.928
507 2HZ LYS 70 1HZ LYS 70 -13.963 -3.657 -2.838
508 3HZ LYS 70 2HZ LYS 70 -14.123 -3.602 -1.148
509 H GLN 71 H GLN 71 -9.954 -7.558 -5.517
510 HA GLN 71 HA GLN 71 -11.285 -9.321 -5.878
511 1HB GLN 71 1HB GLN 71 -10.627 -11.455 -5.887
512 2HB GLN 71 2HB GLN 71 -9.492 -10.313 -6.626
513 1HG GLN 71 1HG GLN 71 -7.940 -10.582 -4.811
514 2HG GLN 71 2HG GLN 71 -9.104 -11.558 -3.898
515 1HE2 GLN 71 2HE2 GLN 71 -8.424 -14.576 -5.614
516 2HE2 GLN 71 1HE2 GLN 71 -9.449 -13.744 -4.493
517 NH1 ARG 72 NH2 ARG 72 -11.892 -13.407 -4.606
518 NH2 ARG 72 NH1 ARG 72 -11.097 -15.519 -4.494
519 H ARG 72 H ARG 72 -10.151 -9.512 -2.554
520 HA ARG 72 HA ARG 72 -12.797 -10.532 -1.633
521 1HB ARG 72 1HB ARG 72 -10.113 -10.746 -0.245
522 2HB ARG 72 2HB ARG 72 -11.656 -11.406 0.327
523 1HG ARG 72 1HG ARG 72 -10.185 -12.286 -2.166
524 2HG ARG 72 2HG ARG 72 -10.168 -13.130 -0.609
525 1HD ARG 72 1HD ARG 72 -12.518 -13.647 -0.790
526 2HD ARG 72 2HD ARG 72 -12.677 -12.634 -2.236
527 HE ARG 72 HE ARG 72 -11.388 -15.284 -2.054
528 1HH1 ARG 72 1HH2 ARG 72 -12.238 -12.572 -4.176
529 2HH1 ARG 72 2HH2 ARG 72 -11.815 -13.463 -5.602
530 1HH2 ARG 72 1HH1 ARG 72 -10.822 -16.328 -3.976
531 2HH2 ARG 72 2HH1 ARG 72 -11.039 -15.520 -5.493
532 HA PRO 73 HA PRO 73 -13.137 -6.463 0.273
533 1HB PRO 73 1HB PRO 73 -14.939 -7.912 2.201
534 2HB PRO 73 2HB PRO 73 -15.238 -6.417 1.298
535 1HG PRO 73 1HG PRO 73 -16.377 -8.695 0.456
536 2HG PRO 73 2HG PRO 73 -15.671 -7.595 -0.739
537 1HD PRO 73 2HD PRO 73 -14.491 -10.133 0.433
538 2HD PRO 73 1HD PRO 73 -14.483 -9.584 -1.251
539 H GLY 74 H GLY 74 -11.234 -6.080 1.137
540 1HA GLY 74 1HA GLY 74 -9.712 -5.600 2.816
541 2HA GLY 74 2HA GLY 74 -10.779 -6.396 3.984
542 1H LYS 75 2H LYS 75 -7.523 5.174 9.817
543 2H LYS 75 3H LYS 75 -7.829 3.724 10.647
544 3H LYS 75 1H LYS 75 -7.210 5.066 11.483
545 HA LYS 75 HA LYS 75 -5.161 4.953 10.223
546 1HB LYS 75 1HB LYS 75 -4.275 2.941 11.236
547 2HB LYS 75 2HB LYS 75 -5.422 3.688 12.360
548 1HG LYS 75 1HG LYS 75 -7.048 2.015 11.979
549 2HG LYS 75 2HG LYS 75 -6.215 1.421 10.532
550 1HD LYS 75 1HD LYS 75 -4.306 0.727 11.972
551 2HD LYS 75 2HD LYS 75 -5.239 1.223 13.395
552 1HE LYS 75 HE1 LYS 75 -6.121 -0.909 11.422
553 2HE LYS 75 HE2 LYS 75 -5.307 -1.238 12.960
554 1HZ LYS 75 1HZ LYS 75 -7.892 0.160 12.631
555 2HZ LYS 75 2HZ LYS 75 -7.683 -1.442 13.154
556 3HZ LYS 75 3HZ LYS 75 -7.112 -0.157 14.105
557 H HIS 76 H HIS 76 -3.818 4.190 8.750
558 HA HIS 76 HA HIS 76 -4.822 2.808 6.412
559 1HB HIS 76 1HB HIS 76 -2.066 3.564 7.297
560 2HB HIS 76 2HB HIS 76 -2.411 2.715 5.780
561 HD2 HIS 76 HD2 HIS 76 -2.379 4.364 3.859
562 HE1 HIS 76 HE1 HIS 76 -3.927 7.841 5.666
563 HE2 HIS 76 HE2 HIS 76 -2.949 6.832 3.528
564 CH2 TRP 77 CH2 TRP 77 -10.608 -3.594 6.409
565 H TRP 77 H TRP 77 -5.488 0.814 6.584
566 HA TRP 77 HA TRP 77 -4.087 -1.121 8.383
567 1HB TRP 77 1HB TRP 77 -6.235 -2.153 8.788
568 2HB TRP 77 2HB TRP 77 -6.353 -0.420 9.143
569 HD1 TRP 77 HD1 TRP 77 -7.567 1.059 7.131
570 HE1 TRP 77 HE1 TRP 77 -9.901 0.562 6.287
571 HE3 TRP 77 HE3 TRP 77 -7.442 -3.965 7.675
572 HZ2 TRP 77 HZ2 TRP 77 -11.540 -1.706 5.871
573 HZ3 TRP 77 HZ3 TRP 77 -9.436 -5.315 7.015
574 HH2 TRP 77 HH2 TRP 77 -11.471 -4.189 6.128
575 H VAL 78 H VAL 78 -4.431 -3.323 8.098
576 HA VAL 78 HA VAL 78 -3.434 -4.062 5.437
577 HB VAL 78 HB VAL 78 -3.313 -6.402 6.481
578 1HG1 VAL 78 1HG1 VAL 78 -1.582 -4.208 7.491
579 2HG1 VAL 78 2HG1 VAL 78 -1.223 -5.942 7.562
580 3HG1 VAL 78 3HG1 VAL 78 -1.411 -5.140 5.994
581 1HG2 VAL 78 1HG2 VAL 78 -4.789 -6.068 8.429
582 2HG2 VAL 78 2HG2 VAL 78 -3.150 -6.514 8.931
583 3HG2 VAL 78 3HG2 VAL 78 -3.687 -4.830 9.053
584 OH TYR 79 OH TYR 79 -7.464 0.556 3.409
585 H TYR 79 H TYR 79 -4.178 -4.609 3.821
586 HA TYR 79 HA TYR 79 -6.917 -5.758 3.737
587 1HB TYR 79 1HB TYR 79 -5.250 -4.702 1.434
588 2HB TYR 79 2HB TYR 79 -6.966 -5.140 1.402
589 HD1 TYR 79 HD2 TYR 79 -8.480 -3.842 3.252
590 HD2 TYR 79 HD1 TYR 79 -4.650 -2.520 1.704
591 HE1 TYR 79 HE2 TYR 79 -8.929 -1.534 4.097
592 HE2 TYR 79 HE1 TYR 79 -5.112 -0.207 2.557
593 HH TYR 79 HH TYR 79 -8.316 0.602 3.871
594 OH TYR 80 OH TYR 80 -1.655 -13.380 7.731
595 H TYR 80 H TYR 80 -5.748 -7.490 4.753
596 HA TYR 80 HA TYR 80 -4.513 -9.419 2.851
597 1HB TYR 80 1HB TYR 80 -2.671 -8.780 3.849
598 2HB TYR 80 2HB TYR 80 -3.513 -8.163 5.281
599 HD1 TYR 80 HD1 TYR 80 -2.341 -11.388 3.680
600 HD2 TYR 80 HD2 TYR 80 -3.386 -9.223 7.295
601 HE1 TYR 80 HE1 TYR 80 -1.580 -13.342 5.068
602 HE2 TYR 80 HE2 TYR 80 -2.655 -11.182 8.680
603 HH TYR 80 HH TYR 80 -1.798 -13.148 8.662
Start of MODEL 3
Raw file had 603 H/Q atoms
Start of MODEL 3
1 1H ILE 1 3H ILE 1 -4.368 14.141 -4.676
2 2H ILE 1 1H ILE 1 -3.290 13.571 -3.494
3 3H ILE 1 2H ILE 1 -2.772 14.719 -4.634
4 HA ILE 1 HA ILE 1 -3.049 13.154 -6.411
5 HB ILE 1 HB ILE 1 -1.114 13.096 -4.357
6 1HG1 ILE 1 1HG1 ILE 1 -1.074 13.221 -7.333
7 2HG1 ILE 1 2HG1 ILE 1 -1.303 14.586 -6.227
8 1HG2 ILE 1 1HG2 ILE 1 -1.166 10.776 -6.318
9 2HG2 ILE 1 2HG2 ILE 1 0.205 11.252 -5.301
10 3HG2 ILE 1 3HG2 ILE 1 -1.281 10.641 -4.555
11 1HD1 ILE 1 1HD1 ILE 1 1.188 12.866 -6.425
12 2HD1 ILE 1 2HD1 ILE 1 0.997 14.505 -7.070
13 3HD1 ILE 1 3HD1 ILE 1 0.958 14.232 -5.319
14 H VAL 2 H VAL 2 -4.062 11.680 -7.211
15 HA VAL 2 HA VAL 2 -5.869 9.922 -5.687
16 HB VAL 2 HB VAL 2 -6.800 9.446 -8.003
17 1HG1 VAL 2 3HG1 VAL 2 -7.884 10.966 -6.527
18 2HG1 VAL 2 1HG1 VAL 2 -6.825 12.289 -7.044
19 3HG1 VAL 2 2HG1 VAL 2 -7.969 11.570 -8.190
20 1HG2 VAL 2 1HG2 VAL 2 -4.850 10.027 -9.386
21 2HG2 VAL 2 2HG2 VAL 2 -6.268 10.991 -9.831
22 3HG2 VAL 2 3HG2 VAL 2 -4.976 11.713 -8.857
23 H CYS 3 H CYS 3 -4.364 8.654 -4.789
24 HA CYS 3 HA CYS 3 -3.380 6.405 -6.426
25 1HB CYS 3 1HB CYS 3 -1.627 8.331 -6.085
26 2HB CYS 3 2HB CYS 3 -1.553 7.727 -4.421
27 H HIS 4 H HIS 4 -2.065 5.099 -4.385
28 HA HIS 4 HA HIS 4 -4.404 4.225 -2.833
29 1HB HIS 4 1HB HIS 4 -1.574 3.151 -3.174
30 2HB HIS 4 2HB HIS 4 -2.805 2.367 -2.170
31 HD2 HIS 4 HD2 HIS 4 -1.576 1.479 -5.252
32 HE1 HIS 4 HE1 HIS 4 -5.514 2.183 -6.602
33 HE2 HIS 4 HE2 HIS 4 -3.206 1.227 -7.196
34 H THR 5 H THR 5 -5.131 5.420 -1.822
35 HA THR 5 HA THR 5 -4.074 6.871 0.426
36 HB THR 5 HB THR 5 -6.899 6.181 -0.509
37 HG1 THR 5 HG1 THR 5 -6.838 8.401 -1.159
38 1HG2 THR 5 3HG2 THR 5 -7.140 6.561 1.792
39 2HG2 THR 5 1HG2 THR 5 -6.279 8.105 1.663
40 3HG2 THR 5 2HG2 THR 5 -7.831 7.884 0.836
41 H THR 6 H THR 6 -6.237 4.274 -0.069
42 HA THR 6 HA THR 6 -7.103 2.460 1.051
43 HB THR 6 HB THR 6 -5.347 1.052 2.221
44 HG1 THR 6 HG1 THR 6 -3.196 1.734 1.984
45 1HG2 THR 6 1HG2 THR 6 -4.685 2.019 -0.581
46 2HG2 THR 6 2HG2 THR 6 -4.125 0.507 0.153
47 3HG2 THR 6 3HG2 THR 6 -5.849 0.747 -0.175
48 H ALA 7 H ALA 7 -6.986 5.018 2.617
49 HA ALA 7 HA ALA 7 -7.152 4.244 5.379
50 1HB ALA 7 1HB ALA 7 -8.100 6.683 3.837
51 2HB ALA 7 2HB ALA 7 -8.001 6.578 5.602
52 3HB ALA 7 3HB ALA 7 -6.527 6.478 4.624
53 H THR 8 H THR 8 -8.905 2.781 3.513
54 HA THR 8 HA THR 8 -11.554 2.766 4.607
55 HB THR 8 HB THR 8 -12.651 3.684 2.484
56 HG1 THR 8 HG1 THR 8 -11.368 5.338 1.477
57 1HG2 THR 8 3HG2 THR 8 -13.022 4.660 4.573
58 2HG2 THR 8 1HG2 THR 8 -11.499 5.561 4.476
59 3HG2 THR 8 2HG2 THR 8 -12.805 5.903 3.328
60 H SER 9 H SER 9 -12.893 2.112 2.259
61 HA SER 9 HA SER 9 -12.797 -0.618 1.952
62 1HB SER 9 1HB SER 9 -13.930 -0.120 -0.266
63 2HB SER 9 2HB SER 9 -14.570 0.851 1.072
64 HG SER 9 HG SER 9 -14.070 2.140 -0.797
65 HA PRO 10 HA PRO 10 -9.448 -2.633 -0.127
66 1HB PRO 10 1HB PRO 10 -11.935 -3.279 -1.780
67 2HB PRO 10 2HB PRO 10 -10.545 -4.329 -1.459
68 1HG PRO 10 1HG PRO 10 -12.716 -4.519 0.115
69 2HG PRO 10 2HG PRO 10 -11.105 -4.567 0.853
70 1HD PRO 10 2HD PRO 10 -13.139 -2.387 0.923
71 2HD PRO 10 1HD PRO 10 -11.792 -2.691 2.032
72 H ILE 11 H ILE 11 -8.362 -1.090 -0.441
73 HA ILE 11 HA ILE 11 -6.819 0.113 -1.535
74 HB ILE 11 HB ILE 11 -7.295 -1.079 -4.201
75 1HG1 ILE 11 1HG1 ILE 11 -7.699 -3.094 -2.975
76 2HG1 ILE 11 2HG1 ILE 11 -6.084 -3.142 -3.700
77 1HG2 ILE 11 1HG2 ILE 11 -4.865 -0.527 -2.518
78 2HG2 ILE 11 2HG2 ILE 11 -4.845 -1.144 -4.179
79 3HG2 ILE 11 3HG2 ILE 11 -5.519 0.459 -3.839
80 1HD1 ILE 11 1HD1 ILE 11 -6.698 -2.673 -0.771
81 2HD1 ILE 11 2HD1 ILE 11 -6.093 -4.177 -1.489
82 3HD1 ILE 11 3HD1 ILE 11 -5.081 -2.722 -1.496
83 H SER 12 H SER 12 -8.163 1.703 -0.976
84 HA SER 12 HA SER 12 -9.843 2.961 -3.020
85 1HB SER 12 1HB SER 12 -10.357 4.539 -1.138
86 2HB SER 12 2HB SER 12 -10.780 2.842 -0.853
87 HG SER 12 HG SER 12 -9.617 3.778 0.939
88 H ALA 13 H ALA 13 -8.474 3.659 -4.515
89 HA ALA 13 HA ALA 13 -6.483 5.728 -4.064
90 1HB ALA 13 3HB ALA 13 -6.476 4.291 -6.083
91 2HB ALA 13 1HB ALA 13 -8.055 4.945 -6.555
92 3HB ALA 13 2HB ALA 13 -6.632 6.000 -6.524
93 H VAL 14 H VAL 14 -7.121 7.436 -2.984
94 HA VAL 14 HA VAL 14 -9.650 8.823 -3.800
95 HB VAL 14 HB VAL 14 -8.594 8.559 -1.020
96 1HG1 VAL 14 1HG1 VAL 14 -11.053 9.986 -2.015
97 2HG1 VAL 14 2HG1 VAL 14 -10.639 9.666 -0.322
98 3HG1 VAL 14 3HG1 VAL 14 -9.612 10.730 -1.300
99 1HG2 VAL 14 1HG2 VAL 14 -9.677 6.502 -1.840
100 2HG2 VAL 14 2HG2 VAL 14 -10.682 7.319 -0.632
101 3HG2 VAL 14 3HG2 VAL 14 -11.084 7.447 -2.352
102 H THR 15 H THR 15 -7.261 9.850 -1.494
103 HA THR 15 HA THR 15 -5.757 11.676 -3.193
104 HB THR 15 HB THR 15 -7.233 13.067 -0.997
105 HG1 THR 15 HG1 THR 15 -8.680 13.845 -2.636
106 1HG2 THR 15 3HG2 THR 15 -5.222 14.112 -1.985
107 2HG2 THR 15 1HG2 THR 15 -5.948 13.982 -3.596
108 3HG2 THR 15 2HG2 THR 15 -6.683 15.037 -2.377
109 H CYS 16 H CYS 16 -3.882 12.155 -2.216
110 HA CYS 16 HA CYS 16 -3.453 11.231 0.601
111 1HB CYS 16 1HB CYS 16 -1.737 10.954 -1.886
112 2HB CYS 16 2HB CYS 16 -1.123 10.674 -0.247
113 HA PRO 17 HA PRO 17 -2.316 15.579 1.106
114 1HB PRO 17 1HB PRO 17 -3.207 14.631 3.816
115 2HB PRO 17 2HB PRO 17 -3.253 16.258 3.116
116 1HG PRO 17 1HG PRO 17 -5.455 14.755 3.007
117 2HG PRO 17 2HG PRO 17 -4.975 15.671 1.568
118 1HD PRO 17 2HD PRO 17 -4.636 12.713 2.139
119 2HD PRO 17 1HD PRO 17 -5.047 13.510 0.610
120 HA PRO 18 HA PRO 18 1.140 14.165 4.047
121 1HB PRO 18 1HB PRO 18 1.132 11.177 4.062
122 2HB PRO 18 2HB PRO 18 1.341 12.299 5.417
123 1HG PRO 18 1HG PRO 18 -0.968 10.943 5.143
124 2HG PRO 18 2HG PRO 18 -0.996 12.639 5.657
125 1HD PRO 18 2HD PRO 18 -1.413 11.510 2.855
126 2HD PRO 18 1HD PRO 18 -2.413 12.689 3.721
127 H GLY 19 H GLY 19 2.450 14.840 2.557
128 1HA GLY 19 1HA GLY 19 4.411 14.683 1.328
129 2HA GLY 19 2HA GLY 19 4.198 12.927 1.235
130 H GLU 20 H GLU 20 1.721 12.884 0.034
131 HA GLU 20 HA GLU 20 0.409 13.199 -1.858
132 1HB GLU 20 1HB GLU 20 2.393 15.241 -2.681
133 2HB GLU 20 2HB GLU 20 0.934 14.797 -3.582
134 1HG GLU 20 1HG GLU 20 0.851 15.727 -0.716
135 2HG GLU 20 2HG GLU 20 0.810 16.853 -2.084
136 H ASN 21 H ASN 21 3.827 13.298 -2.741
137 HA ASN 21 HA ASN 21 3.610 12.051 -5.292
138 1HB ASN 21 1HB ASN 21 6.038 11.945 -5.206
139 2HB ASN 21 2HB ASN 21 5.467 13.513 -4.610
140 1HD2 ASN 21 2HD2 ASN 21 8.190 11.794 -2.443
141 2HD2 ASN 21 1HD2 ASN 21 8.001 11.775 -4.165
142 H LEU 22 H LEU 22 4.102 10.573 -2.166
143 HA LEU 22 HA LEU 22 4.954 8.034 -3.527
144 1HB LEU 22 1HB LEU 22 6.549 9.682 -2.190
145 2HB LEU 22 2HB LEU 22 5.788 8.943 -0.770
146 HG LEU 22 HG LEU 22 7.982 7.950 -1.385
147 1HD1 LEU 22 3HD1 LEU 22 6.567 6.801 0.044
148 2HD1 LEU 22 1HD1 LEU 22 5.675 6.096 -1.315
149 3HD1 LEU 22 2HD1 LEU 22 7.376 5.674 -1.058
150 1HD2 LEU 22 1HD2 LEU 22 7.821 8.052 -3.851
151 2HD2 LEU 22 2HD2 LEU 22 8.108 6.394 -3.295
152 3HD2 LEU 22 3HD2 LEU 22 6.487 6.888 -3.812
153 H CYS 23 H CYS 23 3.268 7.180 -3.823
154 HA CYS 23 HA CYS 23 1.737 6.093 -1.531
155 1HB CYS 23 1HB CYS 23 0.409 5.068 -3.537
156 2HB CYS 23 2HB CYS 23 0.133 6.736 -3.008
157 OH TYR 24 OH TYR 24 1.964 5.102 4.583
158 H TYR 24 H TYR 24 2.366 4.489 -0.696
159 HA TYR 24 HA TYR 24 4.236 2.613 -2.015
160 1HB TYR 24 1HB TYR 24 5.063 2.119 0.209
161 2HB TYR 24 2HB TYR 24 5.323 3.781 -0.345
162 HD1 TYR 24 HD2 TYR 24 3.033 1.688 1.792
163 HD2 TYR 24 HD1 TYR 24 4.817 5.571 1.063
164 HE1 TYR 24 HE2 TYR 24 1.894 2.591 3.826
165 HE2 TYR 24 HE1 TYR 24 3.728 6.451 3.143
166 HH TYR 24 HH TYR 24 1.443 4.393 4.992
167 NH1 ARG 25 NH1 ARG 25 4.231 -5.535 -5.606
168 NH2 ARG 25 NH2 ARG 25 3.041 -7.212 -4.647
169 H ARG 25 H ARG 25 3.521 0.814 -2.530
170 HA ARG 25 HA ARG 25 1.986 -0.871 -0.640
171 1HB ARG 25 1HB ARG 25 1.518 -1.144 -3.011
172 2HB ARG 25 2HB ARG 25 3.245 -1.292 -3.378
173 1HG ARG 25 1HG ARG 25 3.023 -3.394 -1.751
174 2HG ARG 25 2HG ARG 25 1.343 -3.322 -2.312
175 1HD ARG 25 1HD ARG 25 2.141 -3.231 -4.653
176 2HD ARG 25 2HD ARG 25 3.814 -3.336 -4.080
177 HE ARG 25 HE ARG 25 2.094 -5.502 -3.198
178 1HH1 ARG 25 1HH1 ARG 25 4.455 -4.566 -5.706
179 2HH1 ARG 25 2HH1 ARG 25 4.676 -6.213 -6.189
180 1HH2 ARG 25 1HH2 ARG 25 2.347 -7.536 -4.004
181 2HH2 ARG 25 2HH2 ARG 25 3.507 -7.860 -5.250
182 H LYS 26 H LYS 26 3.330 -0.993 1.114
183 HA LYS 26 HA LYS 26 5.932 -2.445 0.738
184 1HB LYS 26 1HB LYS 26 4.944 -1.054 3.204
185 2HB LYS 26 2HB LYS 26 6.515 -1.836 2.963
186 1HG LYS 26 1HG LYS 26 7.051 -0.204 1.202
187 2HG LYS 26 2HG LYS 26 5.484 0.583 1.461
188 1HD LYS 26 1HD LYS 26 6.205 0.855 3.905
189 2HD LYS 26 2HD LYS 26 7.831 0.407 3.362
190 1HE LYS 26 HE1 LYS 26 6.198 2.803 2.466
191 2HE LYS 26 HE2 LYS 26 7.682 2.820 3.436
192 1HZ LYS 26 3HZ LYS 26 8.866 1.898 1.573
193 2HZ LYS 26 1HZ LYS 26 7.445 1.883 0.644
194 3HZ LYS 26 2HZ LYS 26 8.112 3.359 1.149
195 H MET 27 H MET 27 5.532 -4.497 0.684
196 HA MET 27 HA MET 27 3.479 -5.808 2.377
197 1HB MET 27 1HB MET 27 2.578 -5.126 0.194
198 2HB MET 27 2HB MET 27 3.928 -5.927 -0.630
199 1HG MET 27 1HG MET 27 3.050 -8.103 0.328
200 2HG MET 27 2HG MET 27 1.599 -7.203 0.799
201 1HE MET 27 3HE MET 27 2.098 -9.722 -1.399
202 2HE MET 27 1HE MET 27 0.495 -9.212 -0.843
203 3HE MET 27 2HE MET 27 0.835 -9.324 -2.577
204 CH2 TRP 28 CH2 TRP 28 5.278 -3.791 6.019
205 H TRP 28 H TRP 28 4.250 -7.535 3.392
206 HA TRP 28 HA TRP 28 6.367 -9.191 2.115
207 1HB TRP 28 1HB TRP 28 7.712 -9.199 4.091
208 2HB TRP 28 2HB TRP 28 7.618 -7.691 3.165
209 HD1 TRP 28 HD1 TRP 28 6.409 -9.257 6.431
210 HE1 TRP 28 HE1 TRP 28 5.350 -7.519 7.912
211 HE3 TRP 28 HE3 TRP 28 7.025 -5.198 3.409
212 HZ2 TRP 28 HZ2 TRP 28 4.537 -4.874 7.747
213 HZ3 TRP 28 HZ3 TRP 28 6.156 -2.994 4.212
214 HH2 TRP 28 HH2 TRP 28 4.849 -2.841 6.322
215 H CYS 29 H CYS 29 6.399 -10.310 5.190
216 HA CYS 29 HA CYS 29 4.446 -12.500 4.664
217 1HB CYS 29 1HB CYS 29 6.807 -13.015 5.193
218 2HB CYS 29 2HB CYS 29 6.663 -12.110 6.709
219 H ASP 30 H ASP 30 2.721 -12.903 5.455
220 HA ASP 30 HA ASP 30 0.737 -11.685 6.485
221 1HB ASP 30 1HB ASP 30 0.198 -13.442 8.204
222 2HB ASP 30 2HB ASP 30 0.594 -14.067 6.595
223 H ALA 31 H ALA 31 2.511 -12.334 9.456
224 HA ALA 31 HA ALA 31 1.647 -9.556 10.151
225 1HB ALA 31 1HB ALA 31 1.702 -11.987 11.919
226 2HB ALA 31 2HB ALA 31 1.331 -10.335 12.445
227 3HB ALA 31 3HB ALA 31 0.277 -11.151 11.278
228 H PHE 32 H PHE 32 3.920 -9.486 9.011
229 HA PHE 32 HA PHE 32 6.155 -9.258 8.852
230 1HB PHE 32 1HB PHE 32 7.489 -8.272 10.333
231 2HB PHE 32 2HB PHE 32 6.003 -7.439 9.845
232 HD1 PHE 32 HD1 PHE 32 6.762 -9.846 12.691
233 HD2 PHE 32 HD2 PHE 32 5.462 -5.909 11.424
234 HE1 PHE 32 HE1 PHE 32 6.600 -9.127 15.083
235 HE2 PHE 32 HE2 PHE 32 5.325 -5.190 13.821
236 HZ PHE 32 HZ PHE 32 5.902 -6.795 15.630
237 H CYS 33 H CYS 33 5.324 -11.288 11.565
238 HA CYS 33 HA CYS 33 5.466 -13.558 11.671
239 1HB CYS 33 1HB CYS 33 7.431 -13.391 9.352
240 2HB CYS 33 2HB CYS 33 6.705 -14.871 10.001
241 H SER 34 H SER 34 8.022 -11.604 12.238
242 HA SER 34 HA SER 34 9.531 -13.519 13.858
243 1HB SER 34 1HB SER 34 10.399 -11.236 14.796
244 2HB SER 34 2HB SER 34 10.811 -11.684 13.132
245 HG SER 34 HG SER 34 9.959 -9.516 13.281
246 H SER 35 H SER 35 7.366 -10.779 14.688
247 HA SER 35 HA SER 35 6.198 -12.603 16.766
248 1HB SER 35 1HB SER 35 6.397 -9.653 17.003
249 2HB SER 35 2HB SER 35 5.457 -10.727 18.052
250 HG SER 35 HG SER 35 7.594 -10.330 18.877
251 NH1 ARG 36 NH2 ARG 36 0.683 -14.563 12.547
252 NH2 ARG 36 NH1 ARG 36 2.933 -14.526 12.270
253 H ARG 36 H ARG 36 4.405 -9.779 16.363
254 HA ARG 36 HA ARG 36 2.682 -10.767 14.165
255 1HB ARG 36 1HB ARG 36 1.682 -10.294 16.969
256 2HB ARG 36 2HB ARG 36 0.666 -10.540 15.537
257 1HG ARG 36 1HG ARG 36 2.650 -12.621 16.414
258 2HG ARG 36 2HG ARG 36 1.049 -12.505 17.164
259 1HD ARG 36 1HD ARG 36 0.653 -14.093 15.557
260 2HD ARG 36 2HD ARG 36 0.216 -12.622 14.671
261 HE ARG 36 HE ARG 36 2.951 -13.095 14.241
262 1HH1 ARG 36 1HH2 ARG 36 -0.143 -14.240 13.009
263 2HH1 ARG 36 2HH2 ARG 36 0.608 -15.131 11.727
264 1HH2 ARG 36 1HH1 ARG 36 3.836 -14.178 12.522
265 2HH2 ARG 36 2HH1 ARG 36 2.826 -15.090 11.451
266 H GLY 37 H GLY 37 2.665 -9.152 12.947
267 1HA GLY 37 1HA GLY 37 1.430 -6.622 13.778
268 2HA GLY 37 2HA GLY 37 3.043 -6.494 13.057
269 H LYS 38 H LYS 38 2.927 -5.834 11.083
270 HA LYS 38 HA LYS 38 0.688 -6.665 9.305
271 1HB LYS 38 1HB LYS 38 1.064 -4.512 8.188
272 2HB LYS 38 2HB LYS 38 0.670 -4.346 9.907
273 1HG LYS 38 1HG LYS 38 3.116 -4.069 10.372
274 2HG LYS 38 2HG LYS 38 3.399 -4.060 8.622
275 1HD LYS 38 1HD LYS 38 2.026 -2.075 8.362
276 2HD LYS 38 2HD LYS 38 1.570 -2.122 10.074
277 1HE LYS 38 HE1 LYS 38 4.395 -1.740 9.044
278 2HE LYS 38 HE2 LYS 38 3.326 -0.432 9.576
279 1HZ LYS 38 1HZ LYS 38 4.255 -2.694 11.228
280 2HZ LYS 38 2HZ LYS 38 4.834 -1.099 11.297
281 3HZ LYS 38 3HZ LYS 38 3.230 -1.440 11.738
282 H VAL 39 H VAL 39 1.085 -7.890 7.607
283 HA VAL 39 HA VAL 39 3.435 -7.606 5.938
284 HB VAL 39 HB VAL 39 2.248 -9.534 5.749
285 1HG1 VAL 39 1HG1 VAL 39 -0.170 -7.941 4.903
286 2HG1 VAL 39 2HG1 VAL 39 -0.014 -9.705 4.853
287 3HG1 VAL 39 3HG1 VAL 39 0.016 -8.857 6.408
288 1HG2 VAL 39 3HG2 VAL 39 1.711 -7.905 3.243
289 2HG2 VAL 39 1HG2 VAL 39 3.215 -8.765 3.614
290 3HG2 VAL 39 2HG2 VAL 39 1.715 -9.673 3.355
291 H VAL 40 H VAL 40 0.138 -6.235 5.498
292 HA VAL 40 HA VAL 40 1.253 -4.525 3.347
293 HB VAL 40 HB VAL 40 -1.683 -4.846 4.043
294 1HG1 VAL 40 3HG1 VAL 40 -1.082 -2.909 2.643
295 2HG1 VAL 40 1HG1 VAL 40 -0.234 -3.985 1.519
296 3HG1 VAL 40 2HG1 VAL 40 -1.991 -4.112 1.714
297 1HG2 VAL 40 3HG2 VAL 40 -0.096 -6.348 1.916
298 2HG2 VAL 40 1HG2 VAL 40 -0.771 -7.075 3.384
299 3HG2 VAL 40 2HG2 VAL 40 -1.852 -6.414 2.145
300 H GLU 41 H GLU 41 2.302 -3.041 4.057
301 HA GLU 41 HA GLU 41 1.039 -0.813 5.564
302 1HB GLU 41 1HB GLU 41 3.301 -1.560 6.195
303 2HB GLU 41 2HB GLU 41 3.857 -1.240 4.544
304 1HG GLU 41 1HG GLU 41 3.459 1.131 4.813
305 2HG GLU 41 2HG GLU 41 2.726 0.866 6.404
306 H LEU 42 H LEU 42 -0.464 -0.819 3.798
307 HA LEU 42 HA LEU 42 0.372 0.440 1.256
308 1HB LEU 42 1HB LEU 42 -1.786 -1.236 2.088
309 2HB LEU 42 2HB LEU 42 -2.465 0.310 1.551
310 HG LEU 42 HG LEU 42 -0.545 -1.383 -0.079
311 1HD1 LEU 42 1HD1 LEU 42 -3.565 -1.016 -0.256
312 2HD1 LEU 42 2HD1 LEU 42 -2.572 -1.935 -1.400
313 3HD1 LEU 42 3HD1 LEU 42 -2.736 -2.489 0.275
314 1HD2 LEU 42 3HD2 LEU 42 -2.242 0.996 -0.876
315 2HD2 LEU 42 1HD2 LEU 42 -0.482 1.003 -0.680
316 3HD2 LEU 42 2HD2 LEU 42 -1.227 0.024 -1.955
317 H GLY 43 H GLY 43 0.148 2.516 0.851
318 1HA GLY 43 1HA GLY 43 -1.837 4.275 1.239
319 2HA GLY 43 2HA GLY 43 -1.049 4.349 2.825
320 H CYS 44 H CYS 44 -0.422 6.441 2.636
321 HA CYS 44 HA CYS 44 1.551 7.151 0.496
322 1HB CYS 44 1HB CYS 44 -0.984 8.551 1.314
323 2HB CYS 44 2HB CYS 44 0.343 9.406 0.507
324 H ALA 45 H ALA 45 3.161 8.278 0.901
325 HA ALA 45 HA ALA 45 3.335 10.185 3.135
326 1HB ALA 45 1HB ALA 45 5.257 7.882 2.876
327 2HB ALA 45 2HB ALA 45 5.444 9.272 3.959
328 3HB ALA 45 3HB ALA 45 4.085 8.155 4.177
329 H ALA 46 H ALA 46 5.856 10.975 3.018
330 HA ALA 46 HA ALA 46 6.294 12.065 0.339
331 1HB ALA 46 1HB ALA 46 7.757 12.508 2.922
332 2HB ALA 46 2HB ALA 46 8.064 13.365 1.401
333 3HB ALA 46 3HB ALA 46 6.495 13.527 2.209
334 H THR 47 H THR 47 7.746 9.499 2.244
335 HA THR 47 HA THR 47 10.045 9.334 0.334
336 HB THR 47 HB THR 47 10.903 10.490 2.246
337 HG1 THR 47 HG1 THR 47 12.578 8.919 2.676
338 1HG2 THR 47 1HG2 THR 47 10.058 8.183 3.963
339 2HG2 THR 47 2HG2 THR 47 11.108 9.531 4.435
340 3HG2 THR 47 3HG2 THR 47 9.416 9.834 4.005
341 H CYS 48 H CYS 48 10.737 7.372 -0.228
342 HA CYS 48 HA CYS 48 9.149 5.019 0.603
343 1HB CYS 48 1HB CYS 48 9.524 5.476 -1.821
344 2HB CYS 48 2HB CYS 48 11.264 5.277 -1.558
345 HA PRO 49 HA PRO 49 13.057 3.473 2.621
346 1HB PRO 49 1HB PRO 49 14.136 6.203 3.421
347 2HB PRO 49 2HB PRO 49 15.004 4.663 3.302
348 1HG PRO 49 1HG PRO 49 15.204 6.370 1.269
349 2HG PRO 49 2HG PRO 49 14.901 4.664 0.899
350 1HD PRO 49 2HD PRO 49 12.934 6.976 0.949
351 2HD PRO 49 1HD PRO 49 13.043 5.639 -0.209
352 H SER 50 H SER 50 11.149 3.008 3.382
353 HA SER 50 HA SER 50 11.455 2.845 6.246
354 1HB SER 50 1HB SER 50 8.885 3.957 5.111
355 2HB SER 50 2HB SER 50 8.926 3.025 6.617
356 HG SER 50 HG SER 50 9.203 5.313 6.982
357 H LYS 51 H LYS 51 10.830 0.816 6.894
358 HA LYS 51 HA LYS 51 10.706 -1.457 6.653
359 1HB LYS 51 1HB LYS 51 8.260 -0.560 5.319
360 2HB LYS 51 2HB LYS 51 8.697 -2.276 5.348
361 1HG LYS 51 1HG LYS 51 8.718 -0.679 7.880
362 2HG LYS 51 2HG LYS 51 7.187 -1.277 7.217
363 1HD LYS 51 1HD LYS 51 8.324 -3.586 7.157
364 2HD LYS 51 2HD LYS 51 9.558 -2.867 8.206
365 1HE LYS 51 HE1 LYS 51 7.926 -2.385 9.914
366 2HE LYS 51 HE2 LYS 51 6.591 -2.841 8.842
367 1HZ LYS 51 1HZ LYS 51 8.724 -4.647 9.823
368 2HZ LYS 51 2HZ LYS 51 7.124 -4.595 10.390
369 3HZ LYS 51 3HZ LYS 51 7.445 -5.085 8.796
370 H LYS 52 H LYS 52 12.368 -0.109 4.719
371 HA LYS 52 HA LYS 52 12.304 -1.390 2.132
372 1HB LYS 52 1HB LYS 52 14.514 -0.394 1.809
373 2HB LYS 52 2HB LYS 52 13.343 0.792 2.408
374 1HG LYS 52 1HG LYS 52 15.306 -0.569 4.228
375 2HG LYS 52 2HG LYS 52 15.721 0.887 3.309
376 1HD LYS 52 1HD LYS 52 13.891 2.108 4.431
377 2HD LYS 52 2HD LYS 52 13.504 0.652 5.365
378 1HE LYS 52 HE1 LYS 52 15.736 0.682 6.367
379 2HE LYS 52 HE2 LYS 52 16.162 2.107 5.405
380 1HZ LYS 52 1HZ LYS 52 14.007 1.959 7.427
381 2HZ LYS 52 2HZ LYS 52 15.520 2.702 7.634
382 3HZ LYS 52 3HZ LYS 52 14.415 3.326 6.505
383 HA PRO 53 HA PRO 53 14.886 -4.900 2.986
384 1HB PRO 53 1HB PRO 53 14.177 -5.805 5.754
385 2HB PRO 53 2HB PRO 53 15.765 -5.780 4.968
386 1HG PRO 53 1HG PRO 53 15.152 -3.979 6.901
387 2HG PRO 53 2HG PRO 53 16.135 -3.504 5.506
388 1HD PRO 53 2HD PRO 53 13.151 -3.087 5.951
389 2HD PRO 53 1HD PRO 53 14.347 -1.926 5.349
390 OH TYR 54 OH TYR 54 10.000 -9.104 9.780
391 H TYR 54 H TYR 54 11.665 -4.441 4.064
392 HA TYR 54 HA TYR 54 11.038 -7.289 4.267
393 1HB TYR 54 1HB TYR 54 9.981 -4.920 5.366
394 2HB TYR 54 2HB TYR 54 8.730 -6.013 4.748
395 HD1 TYR 54 HD2 TYR 54 9.994 -8.714 5.222
396 HD2 TYR 54 HD1 TYR 54 9.872 -5.119 7.642
397 HE1 TYR 54 HE2 TYR 54 9.984 -10.124 7.305
398 HE2 TYR 54 HE1 TYR 54 9.901 -6.517 9.726
399 HH TYR 54 HH TYR 54 10.012 -10.052 9.574
400 H GLU 55 H GLU 55 11.435 -7.806 2.224
401 HA GLU 55 HA GLU 55 10.863 -8.788 0.254
402 1HB GLU 55 1HB GLU 55 8.267 -8.800 1.562
403 2HB GLU 55 2HB GLU 55 8.602 -9.564 -0.002
404 1HG GLU 55 1HG GLU 55 10.237 -11.001 0.921
405 2HG GLU 55 2HG GLU 55 10.386 -10.026 2.392
406 H GLU 56 H GLU 56 7.753 -7.290 -0.072
407 HA GLU 56 HA GLU 56 8.676 -6.024 -2.594
408 1HB GLU 56 1HB GLU 56 5.901 -6.730 -1.599
409 2HB GLU 56 2HB GLU 56 6.260 -5.973 -3.160
410 1HG GLU 56 1HG GLU 56 7.516 -7.915 -3.876
411 2HG GLU 56 2HG GLU 56 7.363 -8.655 -2.274
412 H VAL 57 H VAL 57 9.703 -4.394 -1.557
413 HA VAL 57 HA VAL 57 8.087 -2.200 -0.381
414 HB VAL 57 HB VAL 57 11.046 -2.308 -0.782
415 1HG1 VAL 57 1HG1 VAL 57 9.258 -0.463 0.836
416 2HG1 VAL 57 2HG1 VAL 57 11.030 -0.447 0.828
417 3HG1 VAL 57 3HG1 VAL 57 10.134 -0.026 -0.641
418 1HG2 VAL 57 1HG2 VAL 57 10.264 -4.035 0.802
419 2HG2 VAL 57 2HG2 VAL 57 11.100 -2.723 1.650
420 3HG2 VAL 57 3HG2 VAL 57 9.331 -2.810 1.677
421 H THR 58 H THR 58 6.883 -2.070 -2.184
422 HA THR 58 HA THR 58 7.939 -0.977 -4.749
423 HB THR 58 HB THR 58 5.457 -2.060 -5.274
424 HG1 THR 58 HG1 THR 58 5.446 -4.103 -4.187
425 1HG2 THR 58 1HG2 THR 58 8.116 -3.531 -5.301
426 2HG2 THR 58 2HG2 THR 58 6.680 -3.972 -6.240
427 3HG2 THR 58 3HG2 THR 58 7.522 -2.449 -6.571
428 H CYS 59 H CYS 59 7.957 0.975 -4.426
429 HA CYS 59 HA CYS 59 5.542 2.467 -3.527
430 1HB CYS 59 1HB CYS 59 7.173 4.177 -2.790
431 2HB CYS 59 2HB CYS 59 7.344 2.614 -1.971
432 H CYS 60 H CYS 60 4.592 3.758 -4.880
433 HA CYS 60 HA CYS 60 5.816 4.371 -7.537
434 1HB CYS 60 1HB CYS 60 4.067 2.460 -7.228
435 2HB CYS 60 2HB CYS 60 2.908 3.784 -7.019
436 H SER 61 H SER 61 4.867 5.873 -8.795
437 HA SER 61 HA SER 61 4.744 8.443 -7.317
438 1HB SER 61 1HB SER 61 5.577 9.319 -9.540
439 2HB SER 61 2HB SER 61 6.673 8.158 -8.772
440 HG SER 61 HG SER 61 6.317 7.683 -11.025
441 H THR 62 H THR 62 2.799 8.867 -6.893
442 HA THR 62 HA THR 62 1.107 10.400 -7.149
443 HB THR 62 HB THR 62 2.252 10.637 -9.829
444 HG1 THR 62 HG1 THR 62 2.891 12.620 -8.811
445 1HG2 THR 62 1HG2 THR 62 0.009 12.331 -8.701
446 2HG2 THR 62 2HG2 THR 62 0.959 12.686 -10.153
447 3HG2 THR 62 3HG2 THR 62 -0.103 11.271 -10.117
448 H ASP 63 H ASP 63 0.890 8.775 -10.262
449 HA ASP 63 HA ASP 63 -1.924 8.409 -10.309
450 1HB ASP 63 1HB ASP 63 -1.501 6.856 -12.158
451 2HB ASP 63 2HB ASP 63 -0.521 8.322 -12.328
452 H LYS 64 H LYS 64 -3.291 6.998 -9.775
453 HA LYS 64 HA LYS 64 -3.212 5.047 -7.837
454 1HB LYS 64 1HB LYS 64 -5.228 4.120 -9.027
455 2HB LYS 64 2HB LYS 64 -5.245 5.778 -8.403
456 1HG LYS 64 1HG LYS 64 -4.888 6.659 -10.644
457 2HG LYS 64 2HG LYS 64 -4.763 5.015 -11.294
458 1HD LYS 64 1HD LYS 64 -6.933 5.927 -11.806
459 2HD LYS 64 2HD LYS 64 -7.099 4.597 -10.647
460 1HE LYS 64 HE1 LYS 64 -8.643 6.361 -10.057
461 2HE LYS 64 HE2 LYS 64 -7.374 6.271 -8.824
462 1HZ LYS 64 1HZ LYS 64 -7.489 8.192 -11.059
463 2HZ LYS 64 2HZ LYS 64 -7.860 8.520 -9.434
464 3HZ LYS 64 3HZ LYS 64 -6.274 8.106 -9.876
465 H CYS 65 H CYS 65 -1.387 3.886 -7.911
466 HA CYS 65 HA CYS 65 -0.924 1.947 -10.156
467 1HB CYS 65 1HB CYS 65 0.596 3.816 -10.217
468 2HB CYS 65 2HB CYS 65 0.873 3.712 -8.470
469 H ASN 66 H ASN 66 0.675 2.243 -7.114
470 HA ASN 66 HA ASN 66 1.450 -0.388 -6.863
471 1HB ASN 66 1HB ASN 66 2.000 0.354 -4.510
472 2HB ASN 66 2HB ASN 66 2.682 1.275 -5.861
473 1HD2 ASN 66 2HD2 ASN 66 0.452 3.137 -3.044
474 2HD2 ASN 66 1HD2 ASN 66 0.870 1.458 -2.946
475 HA PRO 67 HA PRO 67 -2.785 -1.508 -5.685
476 1HB PRO 67 1HB PRO 67 -2.999 -3.884 -6.930
477 2HB PRO 67 2HB PRO 67 -2.817 -2.411 -7.899
478 1HG PRO 67 1HG PRO 67 -0.671 -4.418 -7.093
479 2HG PRO 67 2HG PRO 67 -1.000 -3.748 -8.700
480 1HD PRO 67 2HD PRO 67 0.919 -2.696 -7.019
481 2HD PRO 67 1HD PRO 67 0.043 -1.709 -8.202
482 H HIS 68 H HIS 68 -0.190 -3.500 -4.774
483 HA HIS 68 HA HIS 68 0.140 -4.825 -2.906
484 1HB HIS 68 1HB HIS 68 -0.579 -3.949 -1.352
485 2HB HIS 68 2HB HIS 68 -2.239 -3.835 -1.962
486 HD2 HIS 68 HD2 HIS 68 -3.470 -4.859 0.141
487 HE1 HIS 68 HE1 HIS 68 -2.071 -8.800 -0.305
488 HE2 HIS 68 HE2 HIS 68 -3.854 -7.298 0.735
489 HA PRO 69 HA PRO 69 -2.543 -8.708 -4.349
490 1HB PRO 69 1HB PRO 69 -4.352 -7.792 -6.392
491 2HB PRO 69 2HB PRO 69 -4.722 -8.629 -4.875
492 1HG PRO 69 1HG PRO 69 -4.669 -5.668 -5.444
493 2HG PRO 69 2HG PRO 69 -5.712 -6.573 -4.333
494 1HD PRO 69 2HD PRO 69 -3.693 -5.185 -3.292
495 2HD PRO 69 1HD PRO 69 -3.938 -6.844 -2.722
496 H LYS 70 H LYS 70 -0.720 -9.218 -5.110
497 HA LYS 70 HA LYS 70 0.417 -8.298 -7.637
498 1HB LYS 70 1HB LYS 70 2.160 -10.030 -7.128
499 2HB LYS 70 2HB LYS 70 1.978 -8.775 -5.890
500 1HG LYS 70 1HG LYS 70 0.778 -10.295 -4.453
501 2HG LYS 70 2HG LYS 70 0.773 -11.542 -5.713
502 1HD LYS 70 1HD LYS 70 3.336 -10.433 -4.584
503 2HD LYS 70 2HD LYS 70 2.472 -11.770 -3.807
504 1HE LYS 70 HE1 LYS 70 2.628 -13.052 -5.942
505 2HE LYS 70 HE2 LYS 70 3.600 -11.736 -6.622
506 1HZ LYS 70 3HZ LYS 70 5.192 -12.046 -4.852
507 2HZ LYS 70 1HZ LYS 70 4.260 -13.307 -4.201
508 3HZ LYS 70 2HZ LYS 70 4.979 -13.485 -5.728
509 H GLN 71 H GLN 71 0.441 -8.938 -9.429
510 HA GLN 71 HA GLN 71 -1.242 -11.000 -10.480
511 1HB GLN 71 1HB GLN 71 0.860 -9.163 -11.577
512 2HB GLN 71 2HB GLN 71 0.300 -10.525 -12.564
513 1HG GLN 71 1HG GLN 71 -2.081 -9.475 -11.680
514 2HG GLN 71 2HG GLN 71 -1.089 -8.017 -11.839
515 1HE2 GLN 71 2HE2 GLN 71 -1.233 -7.970 -15.342
516 2HE2 GLN 71 1HE2 GLN 71 -0.848 -7.164 -13.858
517 NH1 ARG 72 NH2 ARG 72 -0.196 -14.072 -8.388
518 NH2 ARG 72 NH1 ARG 72 -2.403 -14.139 -7.910
519 H ARG 72 H ARG 72 -0.694 -12.857 -11.647
520 HA ARG 72 HA ARG 72 1.455 -14.515 -10.742
521 1HB ARG 72 1HB ARG 72 -0.019 -14.706 -13.386
522 2HB ARG 72 2HB ARG 72 0.975 -15.972 -12.642
523 1HG ARG 72 1HG ARG 72 -1.625 -14.852 -11.569
524 2HG ARG 72 2HG ARG 72 -1.386 -16.444 -12.309
525 1HD ARG 72 1HD ARG 72 -0.672 -17.341 -10.359
526 2HD ARG 72 2HD ARG 72 0.421 -15.983 -10.043
527 HE ARG 72 HE ARG 72 -2.423 -16.196 -9.245
528 1HH1 ARG 72 1HH2 ARG 72 0.623 -14.488 -8.781
529 2HH1 ARG 72 2HH2 ARG 72 -0.118 -13.249 -7.824
530 1HH2 ARG 72 1HH1 ARG 72 -3.287 -14.604 -7.942
531 2HH2 ARG 72 2HH1 ARG 72 -2.289 -13.319 -7.349
532 HA PRO 73 HA PRO 73 4.586 -12.720 -13.449
533 1HB PRO 73 1HB PRO 73 4.174 -10.711 -15.233
534 2HB PRO 73 2HB PRO 73 3.943 -12.406 -15.695
535 1HG PRO 73 1HG PRO 73 1.852 -10.374 -14.846
536 2HG PRO 73 2HG PRO 73 1.811 -11.492 -16.220
537 1HD PRO 73 2HD PRO 73 0.553 -12.070 -13.867
538 2HD PRO 73 1HD PRO 73 1.280 -13.338 -14.868
539 H GLY 74 H GLY 74 4.568 -12.175 -11.200
540 1HA GLY 74 1HA GLY 74 5.676 -10.697 -9.765
541 2HA GLY 74 2HA GLY 74 5.399 -9.381 -10.919
542 1H LYS 75 3H LYS 75 0.673 1.552 5.276
543 2H LYS 75 1H LYS 75 0.204 3.174 5.103
544 3H LYS 75 2H LYS 75 1.727 2.796 5.752
545 HA LYS 75 HA LYS 75 0.725 1.781 7.657
546 1HB LYS 75 1HB LYS 75 -0.108 4.601 6.961
547 2HB LYS 75 2HB LYS 75 -0.301 3.915 8.584
548 1HG LYS 75 1HG LYS 75 1.960 3.909 9.002
549 2HG LYS 75 2HG LYS 75 2.384 3.679 7.297
550 1HD LYS 75 1HD LYS 75 1.674 6.022 6.840
551 2HD LYS 75 2HD LYS 75 1.357 6.238 8.570
552 1HE LYS 75 HE1 LYS 75 4.062 5.300 7.621
553 2HE LYS 75 HE2 LYS 75 3.652 7.024 7.601
554 1HZ LYS 75 1HZ LYS 75 3.491 5.230 9.950
555 2HZ LYS 75 2HZ LYS 75 4.701 6.387 9.662
556 3HZ LYS 75 3HZ LYS 75 3.099 6.882 9.930
557 H HIS 76 H HIS 76 -1.658 2.905 5.393
558 HA HIS 76 HA HIS 76 -3.945 2.512 7.178
559 1HB HIS 76 1HB HIS 76 -3.814 3.338 4.259
560 2HB HIS 76 2HB HIS 76 -5.240 3.419 5.307
561 HD2 HIS 76 HD2 HIS 76 -1.927 5.185 4.613
562 HE1 HIS 76 HE1 HIS 76 -3.910 7.599 7.436
563 HE2 HIS 76 HE2 HIS 76 -1.820 7.344 5.975
564 CH2 TRP 77 CH2 TRP 77 -12.012 -0.403 6.318
565 H TRP 77 H TRP 77 -4.885 0.879 7.476
566 HA TRP 77 HA TRP 77 -5.796 -1.243 7.416
567 1HB TRP 77 1HB TRP 77 -6.446 -0.163 4.658
568 2HB TRP 77 2HB TRP 77 -7.115 -1.678 5.288
569 HD1 TRP 77 HD1 TRP 77 -6.920 1.897 6.856
570 HE1 TRP 77 HE1 TRP 77 -9.290 2.709 7.229
571 HE3 TRP 77 HE3 TRP 77 -9.303 -2.335 5.469
572 HZ2 TRP 77 HZ2 TRP 77 -11.913 1.639 7.057
573 HZ3 TRP 77 HZ3 TRP 77 -11.802 -2.426 5.579
574 HH2 TRP 77 HH2 TRP 77 -13.096 -0.452 6.360
575 H VAL 78 H VAL 78 -4.492 -2.718 7.855
576 HA VAL 78 HA VAL 78 -2.678 -3.840 5.872
577 HB VAL 78 HB VAL 78 -2.009 -3.625 8.132
578 1HG1 VAL 78 3HG1 VAL 78 -3.920 -4.178 9.391
579 2HG1 VAL 78 1HG1 VAL 78 -3.872 -5.847 8.798
580 3HG1 VAL 78 2HG1 VAL 78 -2.552 -5.225 9.804
581 1HG2 VAL 78 1HG2 VAL 78 -0.910 -5.147 6.520
582 2HG2 VAL 78 2HG2 VAL 78 -0.883 -5.828 8.156
583 3HG2 VAL 78 3HG2 VAL 78 -2.044 -6.435 6.963
584 OH TYR 79 OH TYR 79 -8.109 -0.511 1.281
585 H TYR 79 H TYR 79 -4.173 -4.307 4.230
586 HA TYR 79 HA TYR 79 -6.330 -6.227 4.497
587 1HB TYR 79 1HB TYR 79 -4.985 -5.373 1.939
588 2HB TYR 79 2HB TYR 79 -6.614 -6.041 2.144
589 HD1 TYR 79 HD2 TYR 79 -8.428 -4.562 3.282
590 HD2 TYR 79 HD1 TYR 79 -4.534 -3.127 2.018
591 HE1 TYR 79 HE2 TYR 79 -9.424 -2.333 2.722
592 HE2 TYR 79 HE1 TYR 79 -5.545 -0.912 1.446
593 HH TYR 79 HH TYR 79 -9.058 -0.467 1.479
594 OH TYR 80 OH TYR 80 -1.823 -10.333 10.143
595 H TYR 80 H TYR 80 -5.527 -8.046 5.375
596 HA TYR 80 HA TYR 80 -4.889 -9.990 3.278
597 1HB TYR 80 1HB TYR 80 -2.957 -10.923 4.224
598 2HB TYR 80 2HB TYR 80 -2.667 -9.176 4.290
599 HD1 TYR 80 HD2 TYR 80 -3.008 -7.936 6.475
600 HD2 TYR 80 HD1 TYR 80 -2.965 -12.263 6.193
601 HE1 TYR 80 HE2 TYR 80 -2.400 -8.093 8.910
602 HE2 TYR 80 HE1 TYR 80 -2.383 -12.416 8.624
603 HH TYR 80 HH TYR 80 -1.764 -9.441 10.518
Start of MODEL 4
Raw file had 603 H/Q atoms
Start of MODEL 4
1 1H ILE 1 1H ILE 1 -0.031 9.835 -3.262
2 2H ILE 1 2H ILE 1 0.543 11.395 -2.910
3 3H ILE 1 3H ILE 1 -0.684 10.706 -1.958
4 HA ILE 1 HA ILE 1 -1.586 12.355 -3.463
5 HB ILE 1 HB ILE 1 -1.490 12.126 -5.846
6 1HG1 ILE 1 1HG1 ILE 1 0.806 10.262 -5.532
7 2HG1 ILE 1 2HG1 ILE 1 -0.844 9.703 -5.858
8 1HG2 ILE 1 3HG2 ILE 1 -0.083 13.702 -4.543
9 2HG2 ILE 1 1HG2 ILE 1 1.143 12.439 -4.339
10 3HG2 ILE 1 2HG2 ILE 1 0.796 13.085 -5.953
11 1HD1 ILE 1 3HD1 ILE 1 -0.903 11.074 -7.909
12 2HD1 ILE 1 1HD1 ILE 1 0.747 11.632 -7.585
13 3HD1 ILE 1 2HD1 ILE 1 0.444 9.923 -7.943
14 H VAL 2 H VAL 2 -3.073 11.277 -5.731
15 HA VAL 2 HA VAL 2 -5.289 9.981 -4.380
16 HB VAL 2 HB VAL 2 -4.830 10.417 -7.342
17 1HG1 VAL 2 3HG1 VAL 2 -6.621 8.778 -6.878
18 2HG1 VAL 2 1HG1 VAL 2 -7.389 9.930 -5.773
19 3HG1 VAL 2 2HG1 VAL 2 -7.288 10.296 -7.504
20 1HG2 VAL 2 1HG2 VAL 2 -4.739 12.534 -6.192
21 2HG2 VAL 2 2HG2 VAL 2 -6.231 12.381 -7.137
22 3HG2 VAL 2 3HG2 VAL 2 -6.272 12.178 -5.377
23 H CYS 3 H CYS 3 -4.396 7.972 -3.546
24 HA CYS 3 HA CYS 3 -4.151 5.754 -5.372
25 1HB CYS 3 1HB CYS 3 -1.827 5.215 -4.959
26 2HB CYS 3 2HB CYS 3 -2.155 6.575 -6.046
27 H HIS 4 H HIS 4 -3.539 3.840 -4.425
28 HA HIS 4 HA HIS 4 -5.173 2.705 -2.812
29 1HB HIS 4 1HB HIS 4 -2.318 2.108 -3.140
30 2HB HIS 4 2HB HIS 4 -3.315 1.136 -2.043
31 HD2 HIS 4 HD2 HIS 4 -2.657 1.606 -5.711
32 HE1 HIS 4 HE1 HIS 4 -6.583 0.119 -5.708
33 HE2 HIS 4 HE2 HIS 4 -4.607 0.828 -7.154
34 H THR 5 H THR 5 -6.129 3.810 -1.294
35 HA THR 5 HA THR 5 -4.578 4.755 1.057
36 HB THR 5 HB THR 5 -5.997 6.453 -0.107
37 HG1 THR 5 HG1 THR 5 -6.880 7.182 1.934
38 1HG2 THR 5 3HG2 THR 5 -7.971 5.115 -0.694
39 2HG2 THR 5 1HG2 THR 5 -8.333 4.893 1.026
40 3HG2 THR 5 2HG2 THR 5 -8.407 6.510 0.307
41 H THR 6 H THR 6 -7.247 2.850 0.191
42 HA THR 6 HA THR 6 -8.884 1.708 1.334
43 HB THR 6 HB THR 6 -6.888 0.287 0.655
44 HG1 THR 6 HG1 THR 6 -8.396 -1.397 1.238
45 1HG2 THR 6 1HG2 THR 6 -6.842 -0.331 3.532
46 2HG2 THR 6 2HG2 THR 6 -6.189 -1.305 2.206
47 3HG2 THR 6 3HG2 THR 6 -5.535 0.310 2.523
48 H ALA 7 H ALA 7 -7.828 3.979 3.116
49 HA ALA 7 HA ALA 7 -8.176 3.295 5.860
50 1HB ALA 7 3HB ALA 7 -7.368 5.482 5.037
51 2HB ALA 7 1HB ALA 7 -8.960 5.803 4.328
52 3HB ALA 7 2HB ALA 7 -8.781 5.683 6.087
53 H THR 8 H THR 8 -10.504 3.586 3.369
54 HA THR 8 HA THR 8 -12.820 3.058 5.125
55 HB THR 8 HB THR 8 -13.922 2.946 2.778
56 HG1 THR 8 HG1 THR 8 -12.617 3.940 1.139
57 1HG2 THR 8 1HG2 THR 8 -12.581 5.546 3.607
58 2HG2 THR 8 2HG2 THR 8 -13.961 5.396 2.506
59 3HG2 THR 8 3HG2 THR 8 -14.136 4.948 4.211
60 H SER 9 H SER 9 -13.985 1.183 5.034
61 HA SER 9 HA SER 9 -12.493 -1.278 4.769
62 1HB SER 9 1HB SER 9 -14.806 -2.284 5.299
63 2HB SER 9 2HB SER 9 -14.129 -1.189 6.515
64 HG SER 9 HG SER 9 -16.340 -0.678 5.998
65 HA PRO 10 HA PRO 10 -13.513 -2.092 0.628
66 1HB PRO 10 1HB PRO 10 -14.899 -0.491 -1.081
67 2HB PRO 10 2HB PRO 10 -15.734 -1.694 -0.084
68 1HG PRO 10 1HG PRO 10 -15.394 1.286 0.433
69 2HG PRO 10 2HG PRO 10 -16.861 0.303 0.580
70 1HD PRO 10 2HD PRO 10 -15.317 0.930 2.745
71 2HD PRO 10 1HD PRO 10 -16.204 -0.601 2.637
72 H ILE 11 H ILE 11 -11.623 -1.906 0.019
73 HA ILE 11 HA ILE 11 -9.694 -0.246 -0.551
74 HB ILE 11 HB ILE 11 -10.835 -1.911 -2.750
75 1HG1 ILE 11 1HG1 ILE 11 -8.609 -2.646 -0.849
76 2HG1 ILE 11 2HG1 ILE 11 -10.297 -2.929 -0.389
77 1HG2 ILE 11 1HG2 ILE 11 -8.037 -0.828 -2.227
78 2HG2 ILE 11 2HG2 ILE 11 -8.487 -1.942 -3.530
79 3HG2 ILE 11 3HG2 ILE 11 -9.129 -0.290 -3.515
80 1HD1 ILE 11 3HD1 ILE 11 -10.600 -4.356 -2.382
81 2HD1 ILE 11 1HD1 ILE 11 -8.913 -4.073 -2.842
82 3HD1 ILE 11 2HD1 ILE 11 -9.290 -4.957 -1.353
83 H SER 12 H SER 12 -9.775 1.729 -0.659
84 HA SER 12 HA SER 12 -10.911 3.098 -3.048
85 1HB SER 12 1HB SER 12 -10.723 4.103 -0.195
86 2HB SER 12 2HB SER 12 -10.969 5.173 -1.587
87 HG SER 12 HG SER 12 -12.969 4.509 -0.616
88 H ALA 13 H ALA 13 -9.677 4.756 -3.890
89 HA ALA 13 HA ALA 13 -6.810 4.877 -3.045
90 1HB ALA 13 3HB ALA 13 -6.968 3.382 -4.926
91 2HB ALA 13 1HB ALA 13 -7.838 4.608 -5.865
92 3HB ALA 13 2HB ALA 13 -6.151 4.882 -5.397
93 H VAL 14 H VAL 14 -7.336 6.766 -1.929
94 HA VAL 14 HA VAL 14 -8.077 9.120 -3.622
95 HB VAL 14 HB VAL 14 -9.106 10.224 -1.846
96 1HG1 VAL 14 1HG1 VAL 14 -10.330 7.682 -2.791
97 2HG1 VAL 14 2HG1 VAL 14 -11.193 9.042 -2.052
98 3HG1 VAL 14 3HG1 VAL 14 -10.329 9.267 -3.583
99 1HG2 VAL 14 1HG2 VAL 14 -8.279 9.066 0.153
100 2HG2 VAL 14 2HG2 VAL 14 -10.047 9.003 0.045
101 3HG2 VAL 14 3HG2 VAL 14 -9.082 7.577 -0.378
102 H THR 15 H THR 15 -7.658 11.137 -1.966
103 HA THR 15 HA THR 15 -4.851 11.655 -2.399
104 HB THR 15 HB THR 15 -5.475 13.905 -1.332
105 HG1 THR 15 HG1 THR 15 -7.772 14.178 -1.057
106 1HG2 THR 15 1HG2 THR 15 -7.108 13.027 -3.687
107 2HG2 THR 15 2HG2 THR 15 -6.790 14.696 -3.185
108 3HG2 THR 15 3HG2 THR 15 -5.454 13.661 -3.716
109 H CYS 16 H CYS 16 -3.692 10.305 -1.196
110 HA CYS 16 HA CYS 16 -3.097 11.043 1.564
111 1HB CYS 16 1HB CYS 16 -2.449 8.845 0.683
112 2HB CYS 16 2HB CYS 16 -1.503 9.618 -0.600
113 HA PRO 17 HA PRO 17 -0.764 14.824 0.548
114 1HB PRO 17 1HB PRO 17 1.115 13.671 2.638
115 2HB PRO 17 2HB PRO 17 0.589 15.349 2.431
116 1HG PRO 17 1HG PRO 17 -0.603 13.866 4.294
117 2HG PRO 17 2HG PRO 17 -1.611 14.881 3.249
118 1HD PRO 17 2HD PRO 17 -1.148 11.898 3.127
119 2HD PRO 17 1HD PRO 17 -2.634 12.809 2.806
120 HA PRO 18 HA PRO 18 2.406 13.298 -2.238
121 1HB PRO 18 1HB PRO 18 3.183 15.812 -3.123
122 2HB PRO 18 2HB PRO 18 1.858 14.858 -3.810
123 1HG PRO 18 1HG PRO 18 1.724 17.094 -1.769
124 2HG PRO 18 2HG PRO 18 0.678 16.804 -3.169
125 1HD PRO 18 2HD PRO 18 -0.128 16.065 -0.697
126 2HD PRO 18 1HD PRO 18 -0.484 15.035 -2.094
127 H GLY 19 H GLY 19 4.603 13.573 -2.555
128 1HA GLY 19 1HA GLY 19 6.662 14.803 -1.332
129 2HA GLY 19 2HA GLY 19 6.121 13.698 -0.057
130 H GLU 20 H GLU 20 8.513 13.027 -0.735
131 HA GLU 20 HA GLU 20 8.829 11.598 -3.228
132 1HB GLU 20 1HB GLU 20 10.726 11.821 -1.003
133 2HB GLU 20 2HB GLU 20 11.017 11.041 -2.566
134 1HG GLU 20 1HG GLU 20 11.827 13.054 -3.165
135 2HG GLU 20 2HG GLU 20 10.123 13.495 -3.361
136 H ASN 21 H ASN 21 7.199 10.437 -0.604
137 HA ASN 21 HA ASN 21 7.613 7.648 -1.582
138 1HB ASN 21 1HB ASN 21 8.280 7.890 0.750
139 2HB ASN 21 2HB ASN 21 6.602 8.301 1.144
140 1HD2 ASN 21 2HD2 ASN 21 6.061 4.942 1.785
141 2HD2 ASN 21 1HD2 ASN 21 6.139 6.570 2.371
142 H LEU 22 H LEU 22 5.631 10.140 -2.106
143 HA LEU 22 HA LEU 22 3.509 10.072 -3.169
144 1HB LEU 22 1HB LEU 22 3.941 8.826 -5.255
145 2HB LEU 22 2HB LEU 22 4.865 10.254 -4.756
146 HG LEU 22 HG LEU 22 6.040 8.313 -5.961
147 1HD1 LEU 22 3HD1 LEU 22 7.181 10.195 -5.334
148 2HD1 LEU 22 1HD1 LEU 22 7.291 9.648 -3.652
149 3HD1 LEU 22 2HD1 LEU 22 8.129 8.753 -4.931
150 1HD2 LEU 22 3HD2 LEU 22 6.232 7.207 -3.149
151 2HD2 LEU 22 1HD2 LEU 22 5.446 6.411 -4.524
152 3HD2 LEU 22 2HD2 LEU 22 7.194 6.694 -4.545
153 H CYS 23 H CYS 23 3.745 6.939 -4.389
154 HA CYS 23 HA CYS 23 1.351 6.147 -2.825
155 1HB CYS 23 1HB CYS 23 2.137 5.392 -5.631
156 2HB CYS 23 2HB CYS 23 0.670 4.882 -4.779
157 OH TYR 24 OH TYR 24 -2.850 6.402 0.904
158 H TYR 24 H TYR 24 2.671 5.301 -1.205
159 HA TYR 24 HA TYR 24 3.812 3.013 -0.658
160 1HB TYR 24 1HB TYR 24 1.484 2.301 0.383
161 2HB TYR 24 2HB TYR 24 2.477 3.614 1.039
162 HD1 TYR 24 HD1 TYR 24 0.483 4.861 -1.768
163 HD2 TYR 24 HD2 TYR 24 0.476 3.747 2.399
164 HE1 TYR 24 HE1 TYR 24 -1.585 6.235 -1.409
165 HE2 TYR 24 HE2 TYR 24 -1.603 5.064 2.776
166 HH TYR 24 HH TYR 24 -3.106 6.336 1.837
167 NH1 ARG 25 NH2 ARG 25 4.618 0.144 4.690
168 NH2 ARG 25 NH1 ARG 25 2.920 -1.330 4.469
169 H ARG 25 H ARG 25 3.253 0.125 -2.221
170 HA ARG 25 HA ARG 25 5.356 1.497 -1.037
171 1HB ARG 25 1HB ARG 25 4.069 1.747 1.012
172 2HB ARG 25 2HB ARG 25 3.727 0.008 1.027
173 1HG ARG 25 1HG ARG 25 6.580 0.753 1.072
174 2HG ARG 25 2HG ARG 25 5.636 1.199 2.504
175 1HD ARG 25 1HD ARG 25 5.940 -1.574 1.316
176 2HD ARG 25 2HD ARG 25 6.643 -0.986 2.833
177 HE ARG 25 HE ARG 25 4.163 -2.219 2.566
178 1HH1 ARG 25 1HH2 ARG 25 5.536 0.458 4.449
179 2HH1 ARG 25 2HH2 ARG 25 4.144 0.542 5.476
180 1HH2 ARG 25 1HH1 ARG 25 2.521 -2.150 4.057
181 2HH2 ARG 25 2HH1 ARG 25 2.483 -0.908 5.264
182 H LYS 26 H LYS 26 3.398 -1.349 -0.590
183 HA LYS 26 HA LYS 26 3.485 -3.195 -2.231
184 1HB LYS 26 1HB LYS 26 6.255 -2.972 -2.335
185 2HB LYS 26 2HB LYS 26 5.340 -4.425 -2.772
186 1HG LYS 26 1HG LYS 26 4.676 -1.641 -3.755
187 2HG LYS 26 2HG LYS 26 5.693 -2.787 -4.646
188 1HD LYS 26 1HD LYS 26 3.797 -4.318 -4.852
189 2HD LYS 26 2HD LYS 26 2.779 -3.189 -3.943
190 1HE LYS 26 HE1 LYS 26 3.071 -1.474 -5.659
191 2HE LYS 26 HE2 LYS 26 4.219 -2.499 -6.535
192 1HZ LYS 26 3HZ LYS 26 2.485 -4.126 -6.830
193 2HZ LYS 26 1HZ LYS 26 1.384 -3.142 -5.990
194 3HZ LYS 26 2HZ LYS 26 2.019 -2.626 -7.478
195 H MET 27 H MET 27 5.099 -5.397 -1.512
196 HA MET 27 HA MET 27 3.039 -6.372 0.361
197 1HB MET 27 1HB MET 27 4.358 -7.325 -2.150
198 2HB MET 27 2HB MET 27 3.726 -8.539 -1.026
199 1HG MET 27 1HG MET 27 2.331 -7.629 -3.056
200 2HG MET 27 2HG MET 27 1.586 -8.098 -1.519
201 1HE MET 27 1HE MET 27 1.060 -6.263 0.373
202 2HE MET 27 2HE MET 27 -0.192 -5.173 -0.247
203 3HE MET 27 3HE MET 27 -0.251 -6.902 -0.632
204 CH2 TRP 28 CH2 TRP 28 2.626 -4.324 5.262
205 H TRP 28 H TRP 28 3.305 -7.949 1.796
206 HA TRP 28 HA TRP 28 5.772 -9.538 1.901
207 1HB TRP 28 1HB TRP 28 6.393 -9.132 4.109
208 2HB TRP 28 2HB TRP 28 6.348 -7.597 3.224
209 HD1 TRP 28 HD1 TRP 28 5.135 -9.232 6.322
210 HE1 TRP 28 HE1 TRP 28 3.807 -7.554 7.703
211 HE3 TRP 28 HE3 TRP 28 4.532 -5.698 2.749
212 HZ2 TRP 28 HZ2 TRP 28 2.395 -5.144 7.249
213 HZ3 TRP 28 HZ3 TRP 28 3.046 -3.724 3.222
214 HH2 TRP 28 HH2 TRP 28 1.980 -3.475 5.457
215 H CYS 29 H CYS 29 5.665 -11.335 3.327
216 HA CYS 29 HA CYS 29 3.043 -12.623 3.281
217 1HB CYS 29 1HB CYS 29 5.806 -13.523 4.072
218 2HB CYS 29 2HB CYS 29 4.376 -14.553 4.246
219 H ASP 30 H ASP 30 1.687 -12.898 4.840
220 HA ASP 30 HA ASP 30 2.160 -12.331 7.657
221 1HB ASP 30 1HB ASP 30 -0.076 -13.089 7.990
222 2HB ASP 30 2HB ASP 30 0.004 -12.007 6.591
223 H ALA 31 H ALA 31 4.126 -14.085 6.823
224 HA ALA 31 HA ALA 31 5.165 -16.113 6.864
225 1HB ALA 31 3HB ALA 31 4.976 -15.819 9.305
226 2HB ALA 31 1HB ALA 31 3.381 -16.591 9.274
227 3HB ALA 31 2HB ALA 31 4.825 -17.525 8.849
228 H PHE 32 H PHE 32 1.780 -16.743 7.208
229 HA PHE 32 HA PHE 32 1.680 -19.389 6.225
230 1HB PHE 32 1HB PHE 32 -0.435 -17.259 5.818
231 2HB PHE 32 2HB PHE 32 -0.669 -19.011 5.944
232 HD1 PHE 32 HD2 PHE 32 0.525 -19.900 8.385
233 HD2 PHE 32 HD1 PHE 32 -1.401 -16.117 7.536
234 HE1 PHE 32 HE2 PHE 32 -0.204 -19.733 10.776
235 HE2 PHE 32 HE1 PHE 32 -2.121 -15.936 9.929
236 HZ PHE 32 HZ PHE 32 -1.521 -17.763 11.526
237 H CYS 33 H CYS 33 0.657 -16.517 4.527
238 HA CYS 33 HA CYS 33 1.116 -15.529 2.557
239 1HB CYS 33 1HB CYS 33 3.428 -16.505 3.095
240 2HB CYS 33 2HB CYS 33 3.138 -17.150 1.470
241 H SER 34 H SER 34 0.522 -18.968 2.342
242 HA SER 34 HA SER 34 -0.421 -18.879 -0.438
243 1HB SER 34 1HB SER 34 0.746 -20.854 0.424
244 2HB SER 34 2HB SER 34 -0.616 -21.150 1.519
245 HG SER 34 HG SER 34 -0.847 -22.276 -0.508
246 H SER 35 H SER 35 -2.180 -18.036 -0.884
247 HA SER 35 HA SER 35 -4.263 -17.148 -0.986
248 1HB SER 35 1HB SER 35 -6.175 -18.344 -0.315
249 2HB SER 35 2HB SER 35 -4.989 -19.591 -0.740
250 HG SER 35 HG SER 35 -6.084 -20.051 1.251
251 NH1 ARG 36 NH2 ARG 36 -5.887 -20.755 7.449
252 NH2 ARG 36 NH1 ARG 36 -3.872 -21.412 8.229
253 H ARG 36 H ARG 36 -3.673 -17.801 2.399
254 HA ARG 36 HA ARG 36 -4.607 -15.042 3.014
255 1HB ARG 36 1HB ARG 36 -4.364 -15.779 5.378
256 2HB ARG 36 2HB ARG 36 -5.550 -16.713 4.450
257 1HG ARG 36 1HG ARG 36 -3.811 -18.529 4.231
258 2HG ARG 36 2HG ARG 36 -2.810 -17.614 5.372
259 1HD ARG 36 1HD ARG 36 -4.747 -17.629 6.979
260 2HD ARG 36 2HD ARG 36 -5.610 -18.696 5.858
261 HE ARG 36 HE ARG 36 -2.987 -19.673 6.677
262 1HH1 ARG 36 1HH2 ARG 36 -6.437 -20.234 6.797
263 2HH1 ARG 36 2HH2 ARG 36 -6.315 -21.461 8.012
264 1HH2 ARG 36 1HH1 ARG 36 -2.874 -21.396 8.182
265 2HH2 ARG 36 2HH1 ARG 36 -4.336 -22.108 8.777
266 H GLY 37 H GLY 37 -3.147 -13.879 2.082
267 1HA GLY 37 1HA GLY 37 -0.290 -14.473 2.656
268 2HA GLY 37 2HA GLY 37 -0.893 -14.041 1.047
269 H LYS 38 H LYS 38 -0.883 -12.169 0.395
270 HA LYS 38 HA LYS 38 1.141 -10.479 1.361
271 1HB LYS 38 1HB LYS 38 0.643 -9.040 -0.481
272 2HB LYS 38 2HB LYS 38 1.094 -10.724 -0.796
273 1HG LYS 38 1HG LYS 38 -1.419 -11.156 -1.108
274 2HG LYS 38 2HG LYS 38 -1.586 -9.394 -1.183
275 1HD LYS 38 1HD LYS 38 0.035 -9.306 -3.014
276 2HD LYS 38 2HD LYS 38 0.241 -11.064 -2.927
277 1HE LYS 38 HE1 LYS 38 -2.202 -11.303 -3.486
278 2HE LYS 38 HE2 LYS 38 -2.259 -9.552 -3.749
279 1HZ LYS 38 3HZ LYS 38 -0.528 -9.781 -5.396
280 2HZ LYS 38 1HZ LYS 38 -0.474 -11.460 -5.143
281 3HZ LYS 38 2HZ LYS 38 -1.869 -10.744 -5.796
282 H VAL 39 H VAL 39 1.011 -9.503 3.097
283 HA VAL 39 HA VAL 39 -1.246 -8.114 4.232
284 HB VAL 39 HB VAL 39 1.582 -7.603 5.112
285 1HG1 VAL 39 3HG1 VAL 39 -0.263 -6.389 6.185
286 2HG1 VAL 39 1HG1 VAL 39 -1.068 -7.922 6.562
287 3HG1 VAL 39 2HG1 VAL 39 0.480 -7.522 7.328
288 1HG2 VAL 39 1HG2 VAL 39 1.478 -10.057 4.904
289 2HG2 VAL 39 2HG2 VAL 39 1.513 -9.553 6.603
290 3HG2 VAL 39 3HG2 VAL 39 -0.011 -10.074 5.865
291 H VAL 40 H VAL 40 -1.519 -5.827 4.398
292 HA VAL 40 HA VAL 40 -0.970 -5.042 1.592
293 HB VAL 40 HB VAL 40 -3.214 -4.156 3.467
294 1HG1 VAL 40 1HG1 VAL 40 -2.974 -3.682 0.507
295 2HG1 VAL 40 2HG1 VAL 40 -4.373 -3.313 1.530
296 3HG1 VAL 40 3HG1 VAL 40 -2.842 -2.459 1.784
297 1HG2 VAL 40 3HG2 VAL 40 -3.159 -6.144 1.161
298 2HG2 VAL 40 1HG2 VAL 40 -3.301 -6.559 2.877
299 3HG2 VAL 40 2HG2 VAL 40 -4.601 -5.665 2.073
300 H GLU 41 H GLU 41 1.038 -4.307 1.689
301 HA GLU 41 HA GLU 41 1.583 -2.824 0.094
302 1HB GLU 41 1HB GLU 41 -0.437 -3.497 -0.756
303 2HB GLU 41 2HB GLU 41 -1.292 -2.211 0.112
304 1HG GLU 41 1HG GLU 41 -1.193 -1.536 -2.116
305 2HG GLU 41 2HG GLU 41 0.019 -0.568 -1.258
306 H LEU 42 H LEU 42 0.504 -1.290 3.061
307 HA LEU 42 HA LEU 42 0.840 1.334 1.705
308 1HB LEU 42 1HB LEU 42 -1.231 0.746 3.727
309 2HB LEU 42 2HB LEU 42 -0.945 2.272 2.870
310 HG LEU 42 HG LEU 42 -1.828 -0.355 1.641
311 1HD1 LEU 42 3HD1 LEU 42 -3.595 0.876 2.850
312 2HD1 LEU 42 1HD1 LEU 42 -3.203 2.339 1.931
313 3HD1 LEU 42 2HD1 LEU 42 -3.868 0.923 1.099
314 1HD2 LEU 42 1HD2 LEU 42 -0.362 0.802 0.081
315 2HD2 LEU 42 2HD2 LEU 42 -2.048 0.838 -0.463
316 3HD2 LEU 42 3HD2 LEU 42 -1.321 2.281 0.265
317 H GLY 43 H GLY 43 2.064 2.643 2.250
318 1HA GLY 43 1HA GLY 43 2.487 3.918 4.778
319 2HA GLY 43 2HA GLY 43 3.917 2.981 4.312
320 H CYS 44 H CYS 44 2.683 5.991 4.128
321 HA CYS 44 HA CYS 44 3.011 6.419 1.177
322 1HB CYS 44 1HB CYS 44 0.721 6.572 2.391
323 2HB CYS 44 2HB CYS 44 1.352 8.071 3.094
324 H ALA 45 H ALA 45 3.405 8.566 0.477
325 HA ALA 45 HA ALA 45 4.077 10.746 0.398
326 1HB ALA 45 1HB ALA 45 3.329 10.643 3.354
327 2HB ALA 45 2HB ALA 45 3.531 12.119 2.395
328 3HB ALA 45 3HB ALA 45 2.215 10.993 2.022
329 H ALA 46 H ALA 46 5.893 9.501 3.060
330 HA ALA 46 HA ALA 46 7.912 11.592 2.320
331 1HB ALA 46 3HB ALA 46 6.839 11.999 4.520
332 2HB ALA 46 1HB ALA 46 7.294 10.369 5.043
333 3HB ALA 46 2HB ALA 46 8.548 11.578 4.719
334 H THR 47 H THR 47 8.864 10.549 0.872
335 HA THR 47 HA THR 47 10.581 9.295 -0.103
336 HB THR 47 HB THR 47 12.665 9.201 1.478
337 HG1 THR 47 HG1 THR 47 12.479 10.694 3.237
338 1HG2 THR 47 3HG2 THR 47 12.494 10.869 -0.249
339 2HG2 THR 47 1HG2 THR 47 11.493 11.882 0.805
340 3HG2 THR 47 2HG2 THR 47 13.178 11.546 1.239
341 H CYS 48 H CYS 48 10.545 7.589 -0.851
342 HA CYS 48 HA CYS 48 9.588 5.229 0.157
343 1HB CYS 48 1HB CYS 48 11.590 5.304 -2.003
344 2HB CYS 48 2HB CYS 48 10.409 4.041 -1.624
345 HA PRO 49 HA PRO 49 13.538 3.426 1.628
346 1HB PRO 49 1HB PRO 49 15.984 4.561 1.742
347 2HB PRO 49 2HB PRO 49 15.291 3.960 0.226
348 1HG PRO 49 1HG PRO 49 15.277 6.807 1.310
349 2HG PRO 49 2HG PRO 49 15.729 6.255 -0.311
350 1HD PRO 49 2HD PRO 49 13.225 7.218 0.246
351 2HD PRO 49 1HD PRO 49 13.498 5.966 -0.977
352 H SER 50 H SER 50 12.498 6.177 3.156
353 HA SER 50 HA SER 50 14.125 5.711 5.608
354 1HB SER 50 1HB SER 50 12.875 7.733 6.480
355 2HB SER 50 2HB SER 50 13.948 8.039 5.104
356 HG SER 50 HG SER 50 11.884 9.054 4.861
357 H LYS 51 H LYS 51 13.611 3.858 6.205
358 HA LYS 51 HA LYS 51 12.611 2.148 7.352
359 1HB LYS 51 1HB LYS 51 10.691 4.303 8.292
360 2HB LYS 51 2HB LYS 51 10.741 2.647 8.919
361 1HG LYS 51 1HG LYS 51 12.893 2.955 9.863
362 2HG LYS 51 2HG LYS 51 13.171 4.442 8.941
363 1HD LYS 51 1HD LYS 51 11.044 4.198 11.065
364 2HD LYS 51 2HD LYS 51 12.704 4.711 11.414
365 1HE LYS 51 HE1 LYS 51 11.564 6.731 11.204
366 2HE LYS 51 HE2 LYS 51 12.283 6.518 9.599
367 1HZ LYS 51 3HZ LYS 51 10.192 5.631 8.821
368 2HZ LYS 51 1HZ LYS 51 9.502 5.836 10.359
369 3HZ LYS 51 2HZ LYS 51 9.987 7.192 9.458
370 H LYS 52 H LYS 52 10.666 3.799 5.225
371 HA LYS 52 HA LYS 52 8.677 1.799 4.718
372 1HB LYS 52 1HB LYS 52 9.776 4.144 3.195
373 2HB LYS 52 2HB LYS 52 8.745 2.964 2.367
374 1HG LYS 52 1HG LYS 52 7.256 4.629 3.077
375 2HG LYS 52 2HG LYS 52 7.079 3.346 4.286
376 1HD LYS 52 1HD LYS 52 8.600 4.563 5.789
377 2HD LYS 52 2HD LYS 52 8.755 5.850 4.582
378 1HE LYS 52 HE1 LYS 52 6.408 6.418 4.814
379 2HE LYS 52 HE2 LYS 52 6.144 5.041 5.897
380 1HZ LYS 52 1HZ LYS 52 8.008 7.292 6.375
381 2HZ LYS 52 2HZ LYS 52 6.499 7.077 7.124
382 3HZ LYS 52 3HZ LYS 52 7.755 5.971 7.413
383 HA PRO 53 HA PRO 53 11.189 -0.822 1.917
384 1HB PRO 53 1HB PRO 53 13.654 -1.549 2.848
385 2HB PRO 53 2HB PRO 53 13.381 -0.336 1.585
386 1HG PRO 53 1HG PRO 53 13.795 0.101 4.566
387 2HG PRO 53 2HG PRO 53 14.565 0.945 3.212
388 1HD PRO 53 2HD PRO 53 12.456 2.066 4.450
389 2HD PRO 53 1HD PRO 53 12.593 2.165 2.687
390 OH TYR 54 OH TYR 54 5.662 -4.925 9.981
391 H TYR 54 H TYR 54 9.395 -1.077 3.783
392 HA TYR 54 HA TYR 54 10.062 -3.078 5.830
393 1HB TYR 54 1HB TYR 54 8.568 -1.104 6.279
394 2HB TYR 54 2HB TYR 54 7.419 -1.756 5.098
395 HD1 TYR 54 HD1 TYR 54 9.322 -2.905 8.168
396 HD2 TYR 54 HD2 TYR 54 5.656 -3.016 5.858
397 HE1 TYR 54 HE1 TYR 54 8.213 -4.204 10.008
398 HE2 TYR 54 HE2 TYR 54 4.548 -4.313 7.696
399 HH TYR 54 HH TYR 54 4.751 -5.126 9.717
400 H GLU 55 H GLU 55 10.775 -4.536 4.514
401 HA GLU 55 HA GLU 55 10.845 -6.550 3.429
402 1HB GLU 55 1HB GLU 55 7.869 -6.526 3.951
403 2HB GLU 55 2HB GLU 55 8.738 -7.882 3.214
404 1HG GLU 55 1HG GLU 55 8.567 -8.523 5.437
405 2HG GLU 55 2HG GLU 55 10.195 -7.827 5.347
406 H GLU 56 H GLU 56 8.310 -6.940 1.416
407 HA GLU 56 HA GLU 56 10.265 -6.276 -0.673
408 1HB GLU 56 1HB GLU 56 8.887 -8.421 -0.467
409 2HB GLU 56 2HB GLU 56 7.658 -7.480 -1.330
410 1HG GLU 56 1HG GLU 56 10.502 -7.578 -2.311
411 2HG GLU 56 2HG GLU 56 9.369 -8.885 -2.691
412 H VAL 57 H VAL 57 10.376 -4.258 -1.235
413 HA VAL 57 HA VAL 57 7.876 -2.626 -1.572
414 HB VAL 57 HB VAL 57 10.595 -1.935 -0.400
415 1HG1 VAL 57 3HG1 VAL 57 9.873 0.039 -1.687
416 2HG1 VAL 57 1HG1 VAL 57 8.316 0.020 -0.843
417 3HG1 VAL 57 2HG1 VAL 57 9.808 0.342 0.058
418 1HG2 VAL 57 1HG2 VAL 57 9.096 -3.089 1.111
419 2HG2 VAL 57 2HG2 VAL 57 9.274 -1.400 1.614
420 3HG2 VAL 57 3HG2 VAL 57 7.807 -1.923 0.770
421 H THR 58 H THR 58 7.326 -1.496 -2.874
422 HA THR 58 HA THR 58 9.042 -0.203 -4.870
423 HB THR 58 HB THR 58 6.617 -1.116 -6.170
424 HG1 THR 58 HG1 THR 58 7.473 -3.227 -6.629
425 1HG2 THR 58 1HG2 THR 58 9.526 -1.103 -6.945
426 2HG2 THR 58 2HG2 THR 58 8.161 -1.425 -8.029
427 3HG2 THR 58 3HG2 THR 58 8.334 0.168 -7.271
428 H CYS 59 H CYS 59 8.378 1.757 -5.116
429 HA CYS 59 HA CYS 59 5.689 2.611 -4.120
430 1HB CYS 59 1HB CYS 59 6.727 4.652 -3.332
431 2HB CYS 59 2HB CYS 59 7.566 3.260 -2.626
432 H CYS 60 H CYS 60 4.559 4.029 -5.343
433 HA CYS 60 HA CYS 60 5.597 4.341 -8.137
434 1HB CYS 60 1HB CYS 60 3.718 2.729 -7.869
435 2HB CYS 60 2HB CYS 60 2.693 4.131 -7.518
436 H SER 61 H SER 61 5.539 6.158 -9.093
437 HA SER 61 HA SER 61 5.267 8.651 -7.744
438 1HB SER 61 1HB SER 61 5.591 9.532 -10.126
439 2HB SER 61 2HB SER 61 6.863 8.494 -9.461
440 HG SER 61 HG SER 61 6.212 7.833 -11.607
441 H THR 62 H THR 62 3.150 6.894 -9.889
442 HA THR 62 HA THR 62 1.309 9.184 -10.216
443 HB THR 62 HB THR 62 0.285 7.665 -11.974
444 HG1 THR 62 HG1 THR 62 1.800 6.051 -12.716
445 1HG2 THR 62 1HG2 THR 62 3.078 8.719 -12.330
446 2HG2 THR 62 2HG2 THR 62 1.939 8.305 -13.624
447 3HG2 THR 62 3HG2 THR 62 1.567 9.629 -12.506
448 H ASP 63 H ASP 63 -0.855 8.999 -10.147
449 HA ASP 63 HA ASP 63 -2.113 7.834 -7.908
450 1HB ASP 63 1HB ASP 63 -4.217 8.439 -9.017
451 2HB ASP 63 2HB ASP 63 -3.026 9.743 -9.162
452 H LYS 64 H LYS 64 -3.265 6.303 -7.393
453 HA LYS 64 HA LYS 64 -3.881 4.102 -7.076
454 1HB LYS 64 1HB LYS 64 -4.868 4.209 -9.933
455 2HB LYS 64 2HB LYS 64 -5.547 3.306 -8.568
456 1HG LYS 64 1HG LYS 64 -6.287 5.390 -7.524
457 2HG LYS 64 2HG LYS 64 -5.546 6.329 -8.832
458 1HD LYS 64 1HD LYS 64 -7.054 4.904 -10.401
459 2HD LYS 64 2HD LYS 64 -7.962 4.522 -8.929
460 1HE LYS 64 HE1 LYS 64 -7.393 7.331 -9.916
461 2HE LYS 64 HE2 LYS 64 -8.898 6.446 -10.221
462 1HZ LYS 64 3HZ LYS 64 -9.268 6.340 -7.869
463 2HZ LYS 64 1HZ LYS 64 -7.827 7.189 -7.576
464 3HZ LYS 64 2HZ LYS 64 -9.109 7.949 -8.390
465 H CYS 65 H CYS 65 -1.244 4.456 -8.616
466 HA CYS 65 HA CYS 65 -0.936 2.047 -10.155
467 1HB CYS 65 1HB CYS 65 0.151 4.063 -10.756
468 2HB CYS 65 2HB CYS 65 0.843 4.256 -9.137
469 H ASN 66 H ASN 66 -1.309 2.004 -7.019
470 HA ASN 66 HA ASN 66 1.066 0.349 -6.311
471 1HB ASN 66 1HB ASN 66 0.758 1.313 -4.039
472 2HB ASN 66 2HB ASN 66 1.351 2.388 -5.317
473 1HD2 ASN 66 2HD2 ASN 66 -1.176 4.068 -3.027
474 2HD2 ASN 66 1HD2 ASN 66 0.209 3.075 -2.715
475 HA PRO 67 HA PRO 67 -3.126 -1.699 -5.609
476 1HB PRO 67 1HB PRO 67 -2.516 -3.888 -7.456
477 2HB PRO 67 2HB PRO 67 -3.753 -2.632 -7.633
478 1HG PRO 67 1HG PRO 67 -1.531 -2.773 -9.258
479 2HG PRO 67 2HG PRO 67 -2.346 -1.245 -8.882
480 1HD PRO 67 2HD PRO 67 0.121 -2.447 -7.554
481 2HD PRO 67 1HD PRO 67 -0.132 -0.782 -8.105
482 H HIS 68 H HIS 68 -3.276 -2.807 -3.808
483 HA HIS 68 HA HIS 68 -1.420 -4.672 -2.728
484 1HB HIS 68 1HB HIS 68 -2.995 -3.836 -1.204
485 2HB HIS 68 2HB HIS 68 -4.350 -4.089 -2.317
486 HD2 HIS 68 HD2 HIS 68 -5.791 -5.522 -0.540
487 HE1 HIS 68 HE1 HIS 68 -3.452 -9.012 -0.966
488 HE2 HIS 68 HE2 HIS 68 -5.741 -8.077 -0.280
489 HA PRO 69 HA PRO 69 -2.718 -8.292 -5.330
490 1HB PRO 69 1HB PRO 69 -4.609 -7.825 -7.326
491 2HB PRO 69 2HB PRO 69 -4.959 -8.668 -5.806
492 1HG PRO 69 1HG PRO 69 -5.384 -5.741 -6.488
493 2HG PRO 69 2HG PRO 69 -6.490 -6.857 -5.671
494 1HD PRO 69 2HD PRO 69 -5.041 -5.174 -4.177
495 2HD PRO 69 1HD PRO 69 -5.181 -6.861 -3.656
496 H LYS 70 H LYS 70 -0.829 -7.491 -5.603
497 HA LYS 70 HA LYS 70 0.749 -5.900 -6.751
498 1HB LYS 70 1HB LYS 70 0.690 -8.722 -7.886
499 2HB LYS 70 2HB LYS 70 2.085 -7.630 -7.871
500 1HG LYS 70 1HG LYS 70 1.888 -7.611 -5.330
501 2HG LYS 70 2HG LYS 70 0.722 -8.934 -5.496
502 1HD LYS 70 1HD LYS 70 2.403 -10.297 -6.658
503 2HD LYS 70 2HD LYS 70 3.568 -8.967 -6.564
504 1HE LYS 70 HE1 LYS 70 3.564 -9.100 -4.119
505 2HE LYS 70 HE2 LYS 70 2.332 -10.372 -4.172
506 1HZ LYS 70 3HZ LYS 70 3.870 -11.760 -5.374
507 2HZ LYS 70 1HZ LYS 70 5.050 -10.541 -5.325
508 3HZ LYS 70 2HZ LYS 70 4.530 -11.279 -3.886
509 H GLN 71 H GLN 71 -0.482 -7.673 -9.518
510 HA GLN 71 HA GLN 71 -0.534 -7.024 -11.731
511 1HB GLN 71 1HB GLN 71 -1.465 -4.446 -10.446
512 2HB GLN 71 2HB GLN 71 -1.422 -4.702 -12.198
513 1HG GLN 71 1HG GLN 71 -3.050 -6.417 -12.093
514 2HG GLN 71 2HG GLN 71 -2.891 -6.566 -10.335
515 1HE2 GLN 71 2HE2 GLN 71 -5.142 -4.000 -9.536
516 2HE2 GLN 71 1HE2 GLN 71 -3.922 -5.095 -8.977
517 NH1 ARG 72 NH1 ARG 72 5.863 1.117 -8.907
518 NH2 ARG 72 NH2 ARG 72 4.589 0.722 -7.064
519 H ARG 72 H ARG 72 0.958 -4.330 -10.151
520 HA ARG 72 HA ARG 72 3.284 -4.363 -11.976
521 1HB ARG 72 1HB ARG 72 2.053 -2.280 -11.019
522 2HB ARG 72 2HB ARG 72 2.723 -2.748 -9.448
523 1HG ARG 72 1HG ARG 72 4.982 -2.476 -10.287
524 2HG ARG 72 2HG ARG 72 4.366 -2.129 -11.912
525 1HD ARG 72 1HD ARG 72 4.927 -0.025 -10.906
526 2HD ARG 72 2HD ARG 72 3.159 -0.138 -10.926
527 HE ARG 72 HE ARG 72 3.344 -0.834 -8.514
528 1HH1 ARG 72 1HH1 ARG 72 6.040 1.014 -9.886
529 2HH1 ARG 72 2HH1 ARG 72 6.449 1.707 -8.352
530 1HH2 ARG 72 1HH2 ARG 72 3.787 0.314 -6.626
531 2HH2 ARG 72 2HH2 ARG 72 5.195 1.321 -6.540
532 HA PRO 73 HA PRO 73 4.403 -7.674 -9.239
533 1HB PRO 73 1HB PRO 73 6.779 -8.439 -10.327
534 2HB PRO 73 2HB PRO 73 5.204 -8.769 -11.068
535 1HG PRO 73 1HG PRO 73 7.143 -6.508 -11.670
536 2HG PRO 73 2HG PRO 73 6.286 -7.558 -12.810
537 1HD PRO 73 2HD PRO 73 5.361 -5.075 -12.214
538 2HD PRO 73 1HD PRO 73 4.250 -6.419 -12.533
539 H GLY 74 H GLY 74 4.507 -6.408 -7.439
540 1HA GLY 74 1HA GLY 74 7.086 -6.549 -6.055
541 2HA GLY 74 2HA GLY 74 6.343 -4.942 -6.127
542 1H LYS 75 2H LYS 75 -8.257 4.717 8.209
543 2H LYS 75 3H LYS 75 -9.098 3.771 9.339
544 3H LYS 75 1H LYS 75 -8.282 5.171 9.845
545 HA LYS 75 HA LYS 75 -6.165 4.190 9.268
546 1HB LYS 75 1HB LYS 75 -8.012 2.619 11.090
547 2HB LYS 75 2HB LYS 75 -6.276 2.285 10.970
548 1HG LYS 75 1HG LYS 75 -5.718 4.468 11.760
549 2HG LYS 75 2HG LYS 75 -7.400 5.011 11.629
550 1HD LYS 75 1HD LYS 75 -6.588 2.774 13.490
551 2HD LYS 75 2HD LYS 75 -6.498 4.476 13.976
552 1HE LYS 75 HE1 LYS 75 -8.897 4.739 13.570
553 2HE LYS 75 HE2 LYS 75 -9.004 3.059 13.019
554 1HZ LYS 75 1HZ LYS 75 -8.155 3.951 15.710
555 2HZ LYS 75 2HZ LYS 75 -9.664 3.281 15.314
556 3HZ LYS 75 3HZ LYS 75 -8.257 2.340 15.182
557 H HIS 76 H HIS 76 -5.551 3.641 7.496
558 HA HIS 76 HA HIS 76 -6.237 2.050 5.485
559 1HB HIS 76 1HB HIS 76 -3.446 2.169 6.576
560 2HB HIS 76 2HB HIS 76 -3.918 1.708 4.932
561 HD2 HIS 76 HD2 HIS 76 -2.559 3.617 3.825
562 HE1 HIS 76 HE1 HIS 76 -4.578 6.965 5.384
563 HE2 HIS 76 HE2 HIS 76 -2.840 6.147 3.689
564 CH2 TRP 77 CH2 TRP 77 -10.682 -1.012 10.758
565 H TRP 77 H TRP 77 -7.179 0.203 5.484
566 HA TRP 77 HA TRP 77 -6.620 -1.904 7.422
567 1HB TRP 77 1HB TRP 77 -8.444 -1.923 4.996
568 2HB TRP 77 2HB TRP 77 -8.426 -3.120 6.302
569 HD1 TRP 77 HD1 TRP 77 -9.706 0.288 5.401
570 HE1 TRP 77 HE1 TRP 77 -10.793 1.480 7.350
571 HE3 TRP 77 HE3 TRP 77 -8.887 -3.265 8.898
572 HZ2 TRP 77 HZ2 TRP 77 -11.387 0.916 10.059
573 HZ3 TRP 77 HZ3 TRP 77 -9.848 -2.959 11.187
574 HH2 TRP 77 HH2 TRP 77 -11.099 -0.892 11.752
575 H VAL 78 H VAL 78 -4.959 -2.970 7.444
576 HA VAL 78 HA VAL 78 -3.579 -3.911 5.040
577 HB VAL 78 HB VAL 78 -2.084 -5.089 6.675
578 1HG1 VAL 78 3HG1 VAL 78 -1.460 -2.996 5.801
579 2HG1 VAL 78 1HG1 VAL 78 -2.396 -2.145 7.043
580 3HG1 VAL 78 2HG1 VAL 78 -0.985 -3.115 7.505
581 1HG2 VAL 78 3HG2 VAL 78 -3.752 -3.672 8.784
582 2HG2 VAL 78 1HG2 VAL 78 -3.664 -5.426 8.544
583 3HG2 VAL 78 2HG2 VAL 78 -2.228 -4.530 9.068
584 OH TYR 79 OH TYR 79 -10.836 -2.784 1.782
585 H TYR 79 H TYR 79 -5.957 -4.709 4.677
586 HA TYR 79 HA TYR 79 -6.197 -7.557 5.503
587 1HB TYR 79 1HB TYR 79 -8.527 -7.329 5.072
588 2HB TYR 79 2HB TYR 79 -8.009 -5.956 6.066
589 HD1 TYR 79 HD2 TYR 79 -6.909 -4.496 3.275
590 HD2 TYR 79 HD1 TYR 79 -10.606 -6.181 4.783
591 HE1 TYR 79 HE2 TYR 79 -8.211 -2.938 1.809
592 HE2 TYR 79 HE1 TYR 79 -11.908 -4.609 3.337
593 HH TYR 79 HH TYR 79 -10.228 -2.235 1.264
594 OH TYR 80 OH TYR 80 -3.589 -12.281 8.155
595 H TYR 80 H TYR 80 -4.792 -8.524 4.345
596 HA TYR 80 HA TYR 80 -4.978 -9.043 1.581
597 1HB TYR 80 1HB TYR 80 -4.136 -11.305 2.158
598 2HB TYR 80 2HB TYR 80 -3.160 -9.888 2.584
599 HD1 TYR 80 HD1 TYR 80 -2.790 -9.228 4.892
600 HD2 TYR 80 HD2 TYR 80 -5.136 -12.739 3.895
601 HE1 TYR 80 HE1 TYR 80 -2.596 -10.027 7.254
602 HE2 TYR 80 HE2 TYR 80 -4.955 -13.526 6.272
603 HH TYR 80 HH TYR 80 -4.061 -13.122 8.262
No H/Q in entry = 603