NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
555893 |
2m34   |
18944 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 2.564 5.961 -15.485
2 HA SER 1 HA SER 1 3.238 3.581 -15.800
3 HB3 SER 1 2HB SER 1 2.692 2.956 -13.318
4 HG SER 1 HG SER 1 4.245 5.287 -13.921
5 H ALA 2 H ALA 2 2.556 1.343 -15.028
6 HA ALA 2 HA ALA 2 -0.134 0.669 -16.082
7 HB1 ALA 2 1HB ALA 2 0.968 -1.410 -16.860
8 HB2 ALA 2 2HB ALA 2 1.626 0.053 -17.615
9 HB3 ALA 2 3HB ALA 2 2.533 -0.773 -16.324
10 HA PRO 3 HA PRO 3 0.017 -0.744 -11.671
11 HB3 PRO 3 2HB PRO 3 -1.544 0.865 -11.095
12 HG3 PRO 3 2HG PRO 3 -3.221 1.566 -12.615
13 HD3 PRO 3 2HD PRO 3 -1.164 1.920 -13.725
14 H GLY 4 H GLY 4 -0.899 -2.712 -10.633
15 HA2 GLY 4 1HA GLY 4 -2.745 -4.523 -11.435
16 HA3 GLY 4 2HA GLY 4 -1.360 -4.899 -12.482
17 H GLY 5 H GLY 5 -1.064 -6.922 -11.367
18 HA2 GLY 5 1HA GLY 5 -0.072 -6.943 -8.608
19 HA3 GLY 5 2HA GLY 5 -0.026 -8.269 -9.791
20 H LYS 6 H LYS 6 2.242 -7.865 -8.395
21 HA LYS 6 HA LYS 6 4.141 -7.616 -10.456
22 HB3 LYS 6 2HB LYS 6 5.419 -5.746 -8.773
23 HG3 LYS 6 2HG LYS 6 4.127 -5.525 -11.474
24 HD3 LYS 6 2HD LYS 6 5.726 -3.192 -10.615
25 HE3 LYS 6 2HE LYS 6 4.549 -3.455 -12.834
26 HZ1 LYS 6 3HZ LYS 6 2.116 -2.915 -11.223
27 HZ2 LYS 6 1HZ LYS 6 2.432 -4.332 -12.032
28 HZ3 LYS 6 2HZ LYS 6 2.208 -2.935 -12.863
29 H SER 7 H SER 7 5.566 -9.206 -9.905
30 HA SER 7 HA SER 7 6.331 -9.608 -7.081
31 HB3 SER 7 2HB SER 7 5.824 -12.063 -7.386
32 HG SER 7 HG SER 7 3.552 -11.751 -7.180
33 H ARG 8 H ARG 8 8.039 -11.356 -6.923
34 HA ARG 8 HA ARG 8 10.108 -11.905 -7.240
35 HB3 ARG 8 2HB ARG 8 10.246 -11.565 -10.215
36 HG3 ARG 8 2HG ARG 8 11.154 -13.739 -8.254
37 HD3 ARG 8 2HD ARG 8 11.523 -13.307 -11.223
38 HE ARG 8 HE ARG 8 13.480 -14.376 -9.342
39 HH11 ARG 8 1HH1 ARG 8 12.396 -14.675 -12.681
40 HH12 ARG 8 2HH1 ARG 8 13.923 -14.229 -13.375
41 HH21 ARG 8 1HH2 ARG 8 15.598 -14.582 -10.192
42 HH22 ARG 8 2HH2 ARG 8 15.882 -14.721 -11.887
43 H ARG 9 H ARG 9 11.990 -10.590 -9.181
44 HA ARG 9 HA ARG 9 13.417 -8.973 -9.162
45 HB3 ARG 9 2HB ARG 9 11.419 -7.153 -7.793
46 HG3 ARG 9 2HG ARG 9 13.823 -6.342 -8.130
47 HD3 ARG 9 2HD ARG 9 13.946 -7.404 -10.531
48 HE ARG 9 HE ARG 9 12.251 -5.028 -11.012
49 HH11 ARG 9 1HH1 ARG 9 14.297 -7.503 -12.600
50 HH12 ARG 9 2HH1 ARG 9 13.683 -7.151 -14.176
51 HH21 ARG 9 1HH2 ARG 9 11.676 -4.436 -12.991
52 HH22 ARG 9 2HH2 ARG 9 12.349 -5.117 -14.448
53 H ARG 10 H ARG 10 11.700 -8.672 -5.927
54 HA ARG 10 HA ARG 10 12.504 -8.188 -3.957
55 HB3 ARG 10 2HB ARG 10 12.823 -10.649 -3.996
56 HG3 ARG 10 2HG ARG 10 15.431 -11.111 -3.522
57 HD3 ARG 10 2HD ARG 10 13.871 -11.442 -6.045
58 HE ARG 10 HE ARG 10 15.777 -11.281 -7.228
59 HH11 ARG 10 1HH1 ARG 10 16.672 -13.075 -4.236
60 HH12 ARG 10 2HH1 ARG 10 18.177 -13.602 -4.897
61 HH21 ARG 10 1HH2 ARG 10 17.739 -12.058 -8.052
62 HH22 ARG 10 2HH2 ARG 10 18.733 -13.144 -7.170
63 H ARG 11 H ARG 11 13.691 -6.496 -6.009
64 HA ARG 11 HA ARG 11 16.145 -5.614 -4.664
65 HB3 ARG 11 2HB ARG 11 17.336 -5.550 -6.988
66 HG3 ARG 11 2HG ARG 11 17.235 -8.410 -6.669
67 HD3 ARG 11 2HD ARG 11 19.515 -8.000 -5.635
68 HE ARG 11 HE ARG 11 18.762 -7.429 -8.317
69 HH11 ARG 11 1HH1 ARG 11 21.590 -6.663 -6.200
70 HH12 ARG 11 2HH1 ARG 11 22.679 -6.772 -7.531
71 HH21 ARG 11 1HH2 ARG 11 20.304 -7.672 -9.944
72 HH22 ARG 11 2HH2 ARG 11 21.989 -7.413 -9.651
73 H THR 12 H THR 12 13.399 -4.531 -5.338
74 HA THR 12 HA THR 12 14.458 -1.896 -6.270
75 HB THR 12 HB THR 12 13.215 -3.197 -8.097
76 HG1 THR 12 1HG THR 12 12.848 -1.395 -8.993
77 HG21 THR 12 3HG2 THR 12 10.886 -2.967 -8.346
78 HG22 THR 12 1HG2 THR 12 10.719 -2.063 -6.837
79 HG23 THR 12 2HG2 THR 12 11.161 -3.777 -6.807
80 H ALA 13 H ALA 13 12.163 -0.391 -5.908
81 HA ALA 13 HA ALA 13 12.225 0.300 -3.261
82 HB1 ALA 13 1HB ALA 13 9.850 0.514 -5.152
83 HB2 ALA 13 2HB ALA 13 10.078 1.445 -3.649
84 HB3 ALA 13 3HB ALA 13 11.215 1.651 -5.005
85 H PHE 14 H PHE 14 10.056 -2.240 -4.638
86 HA PHE 14 HA PHE 14 9.338 -3.028 -1.898
87 HB3 PHE 14 2HB PHE 14 7.008 -3.308 -2.492
88 HD1 PHE 14 1HD PHE 14 7.867 -0.291 -4.413
89 HD2 PHE 14 2HD PHE 14 6.545 -1.755 -0.601
90 HE1 PHE 14 1HE PHE 14 7.293 2.045 -3.719
91 HE2 PHE 14 2HE PHE 14 5.933 0.587 0.081
92 HZ PHE 14 HZ PHE 14 6.343 2.455 -1.460
93 H THR 15 H THR 15 9.000 -5.409 -1.857
94 HA THR 15 HA THR 15 9.788 -6.848 -4.317
95 HB THR 15 HB THR 15 10.153 -8.676 -3.088
96 HG1 THR 15 1HG THR 15 9.434 -8.163 -0.548
97 HG21 THR 15 3HG2 THR 15 11.783 -6.776 -2.537
98 HG22 THR 15 1HG2 THR 15 11.787 -8.189 -1.458
99 HG23 THR 15 2HG2 THR 15 10.995 -6.696 -0.957
100 H SER 16 H SER 16 8.513 -9.273 -4.061
101 HA SER 16 HA SER 16 5.842 -8.939 -5.029
102 HB3 SER 16 2HB SER 16 5.968 -11.192 -5.374
103 HG SER 16 HG SER 16 8.563 -11.235 -4.265
104 H GLU 17 H GLU 17 7.229 -10.013 -1.979
105 HA GLU 17 HA GLU 17 4.863 -10.594 -0.554
106 HB3 GLU 17 2HB GLU 17 7.689 -9.793 0.208
107 HG3 GLU 17 2HG GLU 17 5.866 -11.553 1.876
108 H GLN 18 H GLN 18 7.090 -7.761 -0.441
109 HA GLN 18 HA GLN 18 5.446 -6.200 1.261
110 HB3 GLN 18 2HB GLN 18 6.638 -4.218 -0.052
111 HG3 GLN 18 2HG GLN 18 8.031 -6.318 1.599
112 HE21 GLN 18 1HE2 GLN 18 9.781 -4.669 2.869
113 HE22 GLN 18 2HE2 GLN 18 11.175 -4.298 1.949
114 H LEU 19 H LEU 19 5.336 -6.349 -2.377
115 HA LEU 19 HA LEU 19 3.207 -4.394 -2.443
116 HB3 LEU 19 2HB LEU 19 2.901 -5.491 -4.829
117 HG LEU 19 HG LEU 19 5.656 -4.329 -4.368
118 HD11 LEU 19 1HD1 LEU 19 5.372 -3.517 -6.620
119 HD12 LEU 19 2HD1 LEU 19 3.644 -3.963 -6.612
120 HD13 LEU 19 3HD1 LEU 19 4.873 -5.221 -6.588
121 HD21 LEU 19 3HD2 LEU 19 4.623 -2.063 -4.791
122 HD22 LEU 19 1HD2 LEU 19 4.293 -2.716 -3.193
123 HD23 LEU 19 2HD2 LEU 19 3.033 -2.787 -4.449
124 H LEU 20 H LEU 20 3.160 -7.829 -1.977
125 HA LEU 20 HA LEU 20 0.422 -8.232 -2.837
126 HB3 LEU 20 2HB LEU 20 2.377 -9.958 -1.252
127 HG LEU 20 HG LEU 20 -0.477 -10.406 -2.070
128 HD11 LEU 20 1HD1 LEU 20 0.707 -11.767 -3.743
129 HD12 LEU 20 2HD1 LEU 20 -0.132 -12.778 -2.540
130 HD13 LEU 20 3HD1 LEU 20 1.639 -12.563 -2.446
131 HD21 LEU 20 3HD2 LEU 20 1.341 -11.861 -0.084
132 HD22 LEU 20 1HD2 LEU 20 -0.422 -12.001 -0.227
133 HD23 LEU 20 2HD2 LEU 20 0.298 -10.508 0.342
134 H GLU 21 H GLU 21 2.061 -8.105 0.351
135 HA GLU 21 HA GLU 21 -0.240 -8.422 1.987
136 HB3 GLU 21 2HB GLU 21 1.592 -7.058 3.535
137 HG3 GLU 21 2HG GLU 21 2.807 -9.325 3.721
138 H LEU 22 H LEU 22 1.150 -5.657 0.416
139 HA LEU 22 HA LEU 22 -0.232 -3.582 1.894
140 HB3 LEU 22 2HB LEU 22 0.419 -2.530 -0.583
141 HG LEU 22 HG LEU 22 1.495 -1.496 1.066
142 HD11 LEU 22 1HD1 LEU 22 2.591 -4.153 1.939
143 HD12 LEU 22 2HD1 LEU 22 1.688 -2.997 2.894
144 HD13 LEU 22 3HD1 LEU 22 3.390 -2.684 2.470
145 HD21 LEU 22 3HD2 LEU 22 3.594 -1.100 0.141
146 HD22 LEU 22 1HD2 LEU 22 2.913 -2.110 -1.125
147 HD23 LEU 22 2HD2 LEU 22 4.003 -2.804 0.071
148 H GLU 23 H GLU 23 -0.848 -5.058 -1.370
149 HA GLU 23 HA GLU 23 -3.323 -3.577 -1.621
150 HB3 GLU 23 2HB GLU 23 -2.131 -4.331 -3.581
151 HG3 GLU 23 2HG GLU 23 -2.705 -7.136 -2.543
152 H LYS 24 H LYS 24 -2.364 -6.516 0.066
153 HA LYS 24 HA LYS 24 -4.948 -7.625 0.363
154 HB3 LYS 24 2HB LYS 24 -3.414 -8.045 2.757
155 HG3 LYS 24 2HG LYS 24 -4.879 -9.651 1.232
156 HD3 LYS 24 2HD LYS 24 -3.376 -11.369 0.203
157 HE3 LYS 24 2HE LYS 24 -2.730 -10.160 -1.873
158 HZ1 LYS 24 3HZ LYS 24 -5.411 -9.325 -0.930
159 HZ2 LYS 24 1HZ LYS 24 -5.066 -10.815 -1.495
160 HZ3 LYS 24 2HZ LYS 24 -4.919 -9.494 -2.492
161 H GLU 25 H GLU 25 -3.105 -5.622 2.699
162 HA GLU 25 HA GLU 25 -5.550 -5.220 4.144
163 HB3 GLU 25 2HB GLU 25 -3.913 -3.684 5.537
164 HG3 GLU 25 2HG GLU 25 -2.876 -5.674 6.575
165 H PHE 26 H PHE 26 -4.432 -3.439 1.515
166 HA PHE 26 HA PHE 26 -6.016 -1.069 2.391
167 HB3 PHE 26 2HB PHE 26 -4.717 -1.632 -0.304
168 HD1 PHE 26 1HD PHE 26 -5.741 1.298 1.878
169 HD2 PHE 26 2HD PHE 26 -5.967 -0.557 -2.009
170 HE1 PHE 26 1HE PHE 26 -7.244 3.124 1.087
171 HE2 PHE 26 2HE PHE 26 -7.458 1.259 -2.790
172 HZ PHE 26 HZ PHE 26 -8.138 3.062 -1.238
173 H HIS 27 H HIS 27 -6.722 -4.240 1.385
174 HA HIS 27 HA HIS 27 -8.970 -3.474 -0.304
175 HB3 HIS 27 2HB HIS 27 -8.684 -6.176 0.985
176 HD1 HIS 27 1HD HIS 27 -8.986 -4.780 -2.627
177 HD2 HIS 27 2HD HIS 27 -11.207 -6.760 0.356
178 HE1 HIS 27 1HE HIS 27 -11.252 -5.361 -3.674
179 H CYS 28 H CYS 28 -8.560 -4.620 3.121
180 HA CYS 28 HA CYS 28 -11.440 -4.475 3.540
181 HB3 CYS 28 2HB CYS 28 -10.916 -5.587 5.623
182 HG CYS 28 HG CYS 28 -9.151 -7.583 4.995
183 H LYS 29 H LYS 29 -8.449 -3.253 5.200
184 HA LYS 29 HA LYS 29 -10.023 -1.246 6.575
185 HB3 LYS 29 2HB LYS 29 -7.845 -0.553 7.560
186 HG3 LYS 29 2HG LYS 29 -6.978 -2.627 8.566
187 HD3 LYS 29 2HD LYS 29 -10.029 -2.682 8.488
188 HE3 LYS 29 2HE LYS 29 -7.926 -3.797 10.402
189 HZ1 LYS 29 3HZ LYS 29 -9.845 -4.764 11.490
190 HZ2 LYS 29 1HZ LYS 29 -10.882 -3.803 10.634
191 HZ3 LYS 29 2HZ LYS 29 -9.802 -3.117 11.670
192 H LYS 30 H LYS 30 -10.152 0.963 5.921
193 HA LYS 30 HA LYS 30 -8.854 1.657 3.310
194 HB3 LYS 30 2HB LYS 30 -10.064 3.896 3.732
195 HG3 LYS 30 2HG LYS 30 -12.371 2.919 3.201
196 HD3 LYS 30 2HD LYS 30 -10.024 2.101 1.417
197 HE3 LYS 30 2HE LYS 30 -11.766 2.442 -0.402
198 HZ1 LYS 30 3HZ LYS 30 -11.293 0.158 0.121
199 HZ2 LYS 30 1HZ LYS 30 -12.916 0.320 -0.057
200 HZ3 LYS 30 2HZ LYS 30 -12.250 0.155 1.430
201 H TYR 31 H TYR 31 -8.435 2.047 6.788
202 HA TYR 31 HA TYR 31 -5.929 3.539 6.268
203 HB3 TYR 31 2HB TYR 31 -6.387 5.023 8.133
204 HD1 TYR 31 2HD TYR 31 -9.888 4.587 7.014
205 HD2 TYR 31 1HD TYR 31 -6.163 6.652 6.301
206 HE1 TYR 31 2HE TYR 31 -11.025 6.049 5.399
207 HE2 TYR 31 1HE TYR 31 -7.299 8.167 4.726
208 HH TYR 31 HH TYR 31 -10.809 8.000 4.122
209 H LEU 32 H LEU 32 -4.395 2.213 7.043
210 HA LEU 32 HA LEU 32 -4.713 0.339 9.218
211 HB3 LEU 32 2HB LEU 32 -2.225 0.459 9.343
212 HG LEU 32 HG LEU 32 -3.251 0.229 6.482
213 HD11 LEU 32 1HD1 LEU 32 -1.141 -1.063 6.129
214 HD12 LEU 32 2HD1 LEU 32 -0.601 -0.577 7.742
215 HD13 LEU 32 3HD1 LEU 32 -0.877 0.649 6.479
216 HD21 LEU 32 3HD2 LEU 32 -2.762 -1.870 8.637
217 HD22 LEU 32 1HD2 LEU 32 -3.089 -2.226 6.945
218 HD23 LEU 32 2HD2 LEU 32 -4.328 -1.438 7.925
219 H SER 33 H SER 33 -4.598 0.606 11.286
220 HA SER 33 HA SER 33 -4.497 3.173 12.651
221 HB3 SER 33 2HB SER 33 -4.340 0.332 13.720
222 HG SER 33 HG SER 33 -4.915 1.131 15.538
223 H LEU 34 H LEU 34 -2.964 3.244 14.532
224 HA LEU 34 HA LEU 34 -0.293 3.480 13.755
225 HB3 LEU 34 2HB LEU 34 0.085 3.508 16.309
226 HG LEU 34 HG LEU 34 -1.962 5.340 15.011
227 HD11 LEU 34 1HD1 LEU 34 -1.710 6.809 16.982
228 HD12 LEU 34 2HD1 LEU 34 -0.739 5.538 17.789
229 HD13 LEU 34 3HD1 LEU 34 -2.447 5.254 17.402
230 HD21 LEU 34 3HD2 LEU 34 -0.139 6.977 15.074
231 HD22 LEU 34 1HD2 LEU 34 0.387 5.526 14.219
232 HD23 LEU 34 2HD2 LEU 34 0.929 5.797 15.873
233 H THR 35 H THR 35 -1.733 0.986 15.819
234 HA THR 35 HA THR 35 0.613 -0.573 16.118
235 HB THR 35 HB THR 35 -2.303 -1.450 16.348
236 HG1 THR 35 1HG THR 35 -0.536 -0.125 18.138
237 HG21 THR 35 3HG2 THR 35 -1.430 -2.976 18.104
238 HG22 THR 35 1HG2 THR 35 0.228 -2.450 17.723
239 HG23 THR 35 2HG2 THR 35 -0.722 -3.339 16.518
240 H GLU 36 H GLU 36 -2.198 -0.997 13.875
241 HA GLU 36 HA GLU 36 -1.331 -3.379 12.650
242 HB3 GLU 36 2HB GLU 36 -2.762 -2.648 10.751
243 HG3 GLU 36 2HG GLU 36 -3.983 -1.997 13.465
244 H ARG 37 H ARG 37 -0.703 0.014 11.780
245 HA ARG 37 HA ARG 37 0.854 -0.531 9.462
246 HB3 ARG 37 2HB ARG 37 0.900 1.849 11.379
247 HG3 ARG 37 2HG ARG 37 1.703 1.579 8.451
248 HD3 ARG 37 2HD ARG 37 0.183 3.519 8.798
249 HE ARG 37 HE ARG 37 1.808 3.947 11.140
250 HH11 ARG 37 1HH1 ARG 37 -0.280 5.639 8.797
251 HH12 ARG 37 2HH1 ARG 37 -0.555 6.986 9.843
252 HH21 ARG 37 1HH2 ARG 37 1.580 5.680 12.420
253 HH22 ARG 37 2HH2 ARG 37 0.672 7.090 11.977
254 H SER 38 H SER 38 1.822 -0.058 12.893
255 HA SER 38 HA SER 38 4.632 -0.267 12.454
256 HB3 SER 38 2HB SER 38 2.882 -0.835 14.869
257 HG SER 38 HG SER 38 5.048 0.139 15.746
258 H GLN 39 H GLN 39 2.153 -2.781 13.249
259 HA GLN 39 HA GLN 39 3.835 -5.042 13.379
260 HB3 GLN 39 2HB GLN 39 1.601 -6.163 12.491
261 HG3 GLN 39 2HG GLN 39 0.356 -5.445 14.651
262 HE21 GLN 39 1HE2 GLN 39 0.323 -7.302 15.964
263 HE22 GLN 39 2HE2 GLN 39 1.661 -8.411 16.053
264 H ILE 40 H ILE 40 1.988 -3.825 10.538
265 HA ILE 40 HA ILE 40 3.068 -5.650 8.686
266 HB ILE 40 HB ILE 40 1.887 -2.867 8.370
267 HG13 ILE 40 2HG1 ILE 40 0.503 -4.842 9.295
268 HG21 ILE 40 1HG2 ILE 40 3.268 -3.370 6.342
269 HG22 ILE 40 2HG2 ILE 40 2.376 -4.894 6.147
270 HG23 ILE 40 3HG2 ILE 40 1.542 -3.347 5.975
271 HD11 ILE 40 3HD1 ILE 40 -0.575 -2.875 8.229
272 HD12 ILE 40 1HD1 ILE 40 -0.562 -3.746 6.674
273 HD13 ILE 40 2HD1 ILE 40 -1.477 -4.384 8.047
274 H ALA 41 H ALA 41 4.375 -2.503 9.799
275 HA ALA 41 HA ALA 41 6.516 -2.331 7.910
276 HB1 ALA 41 1HB ALA 41 5.816 -0.971 10.434
277 HB2 ALA 41 2HB ALA 41 7.554 -1.181 10.219
278 HB3 ALA 41 3HB ALA 41 6.619 -0.358 8.967
279 H HIS 42 H HIS 42 6.331 -4.037 11.067
280 HA HIS 42 HA HIS 42 9.098 -4.820 11.099
281 HB3 HIS 42 2HB HIS 42 8.034 -6.788 12.538
282 HD1 HIS 42 1HD HIS 42 10.251 -5.854 13.689
283 HD2 HIS 42 2HD HIS 42 6.780 -3.480 14.032
284 HE1 HIS 42 1HE HIS 42 10.787 -4.032 15.418
285 H ALA 43 H ALA 43 6.170 -6.629 10.025
286 HA ALA 43 HA ALA 43 7.525 -8.942 9.143
287 HB1 ALA 43 1HB ALA 43 5.495 -9.315 7.732
288 HB2 ALA 43 2HB ALA 43 5.089 -8.855 9.408
289 HB3 ALA 43 3HB ALA 43 4.954 -7.661 8.098
290 H LEU 44 H LEU 44 6.310 -6.252 7.067
291 HA LEU 44 HA LEU 44 7.773 -7.027 4.806
292 HB3 LEU 44 2HB LEU 44 6.831 -4.709 4.078
293 HG LEU 44 HG LEU 44 5.839 -6.877 3.612
294 HD11 LEU 44 1HD1 LEU 44 3.711 -7.513 4.701
295 HD12 LEU 44 2HD1 LEU 44 4.163 -6.499 6.078
296 HD13 LEU 44 3HD1 LEU 44 5.159 -7.899 5.583
297 HD21 LEU 44 3HD2 LEU 44 4.969 -4.648 2.815
298 HD22 LEU 44 1HD2 LEU 44 3.873 -4.627 4.213
299 HD23 LEU 44 2HD2 LEU 44 3.696 -5.855 2.953
300 H LYS 45 H LYS 45 9.327 -5.649 7.420
301 HA LYS 45 HA LYS 45 11.063 -4.243 7.698
302 HB3 LYS 45 2HB LYS 45 12.173 -6.028 6.435
303 HG3 LYS 45 2HG LYS 45 11.796 -4.301 4.005
304 HD3 LYS 45 2HD LYS 45 14.089 -4.919 3.925
305 HE3 LYS 45 2HE LYS 45 14.221 -6.640 5.628
306 HZ1 LYS 45 3HZ LYS 45 12.406 -8.193 3.924
307 HZ2 LYS 45 1HZ LYS 45 12.475 -8.106 5.553
308 HZ3 LYS 45 2HZ LYS 45 13.597 -8.958 4.736
309 H LEU 46 H LEU 46 8.733 -2.975 6.698
310 HA LEU 46 HA LEU 46 9.773 -0.657 5.132
311 HB3 LEU 46 2HB LEU 46 7.251 -0.098 5.072
312 HG LEU 46 HG LEU 46 8.177 -2.598 3.691
313 HD11 LEU 46 1HD1 LEU 46 6.322 -2.332 2.139
314 HD12 LEU 46 2HD1 LEU 46 5.810 -0.838 2.944
315 HD13 LEU 46 3HD1 LEU 46 5.677 -2.403 3.781
316 HD21 LEU 46 3HD2 LEU 46 8.435 -1.159 1.687
317 HD22 LEU 46 1HD2 LEU 46 9.552 -0.743 2.982
318 HD23 LEU 46 2HD2 LEU 46 8.106 0.263 2.690
319 H SER 47 H SER 47 8.413 1.258 5.971
320 HA SER 47 HA SER 47 8.577 1.432 8.954
321 HB3 SER 47 2HB SER 47 9.626 3.661 8.722
322 HG SER 47 HG SER 47 11.602 2.867 8.397
323 H GLU 48 H GLU 48 7.332 3.299 9.792
324 HA GLU 48 HA GLU 48 4.714 2.924 8.922
325 HB3 GLU 48 2HB GLU 48 4.178 4.731 10.602
326 HG3 GLU 48 2HG GLU 48 6.111 2.475 11.306
327 H VAL 49 H VAL 49 6.952 5.388 8.059
328 HA VAL 49 HA VAL 49 5.054 7.175 6.695
329 HB VAL 49 HB VAL 49 8.073 7.022 6.974
330 HG11 VAL 49 1HG1 VAL 49 8.163 9.166 5.676
331 HG12 VAL 49 2HG1 VAL 49 7.839 7.743 4.680
332 HG13 VAL 49 3HG1 VAL 49 6.502 8.856 5.108
333 HG21 VAL 49 3HG2 VAL 49 5.923 9.096 7.542
334 HG22 VAL 49 1HG2 VAL 49 6.647 8.035 8.772
335 HG23 VAL 49 2HG2 VAL 49 7.635 9.268 7.966
336 H GLN 50 H GLN 50 7.475 4.619 5.619
337 HA GLN 50 HA GLN 50 6.877 4.937 2.872
338 HB3 GLN 50 2HB GLN 50 7.747 2.687 2.627
339 HG3 GLN 50 2HG GLN 50 9.651 3.446 4.730
340 HE21 GLN 50 1HE2 GLN 50 9.815 4.710 1.433
341 HE22 GLN 50 2HE2 GLN 50 10.980 3.540 0.839
342 H VAL 51 H VAL 51 5.305 3.002 5.484
343 HA VAL 51 HA VAL 51 3.623 1.682 3.573
344 HB VAL 51 HB VAL 51 3.416 1.920 6.592
345 HG11 VAL 51 1HG1 VAL 51 1.813 0.030 6.524
346 HG12 VAL 51 2HG1 VAL 51 1.160 1.465 5.724
347 HG13 VAL 51 3HG1 VAL 51 1.779 0.116 4.755
348 HG21 VAL 51 3HG2 VAL 51 5.329 0.597 5.978
349 HG22 VAL 51 1HG2 VAL 51 4.073 -0.594 6.372
350 HG23 VAL 51 2HG2 VAL 51 4.439 -0.239 4.692
351 H LYS 52 H LYS 52 3.127 4.416 5.803
352 HA LYS 52 HA LYS 52 0.514 5.062 5.043
353 HB3 LYS 52 2HB LYS 52 2.867 6.746 5.958
354 HG3 LYS 52 2HG LYS 52 0.713 8.246 6.674
355 HD3 LYS 52 2HD LYS 52 1.228 9.183 4.070
356 HE3 LYS 52 2HE LYS 52 1.215 10.499 6.069
357 HZ1 LYS 52 3HZ LYS 52 3.953 9.507 6.611
358 HZ2 LYS 52 1HZ LYS 52 2.624 9.141 7.561
359 HZ3 LYS 52 2HZ LYS 52 3.150 10.669 7.415
360 H ILE 53 H ILE 53 3.568 6.061 3.354
361 HA ILE 53 HA ILE 53 2.198 7.666 1.425
362 HB ILE 53 HB ILE 53 4.955 6.329 1.489
363 HG13 ILE 53 2HG1 ILE 53 4.451 8.150 3.227
364 HG21 ILE 53 1HG2 ILE 53 5.614 7.801 -0.392
365 HG22 ILE 53 2HG2 ILE 53 4.328 6.739 -0.887
366 HG23 ILE 53 3HG2 ILE 53 3.960 8.429 -0.498
367 HD11 ILE 53 3HD1 ILE 53 6.756 7.945 2.458
368 HD12 ILE 53 1HD1 ILE 53 6.424 9.106 1.151
369 HD13 ILE 53 2HD1 ILE 53 6.272 9.612 2.836
370 H TRP 54 H TRP 54 3.343 4.193 1.167
371 HA TRP 54 HA TRP 54 2.351 3.791 -1.458
372 HB3 TRP 54 2HB TRP 54 2.164 1.731 0.743
373 HD1 TRP 54 HD TRP 54 4.044 1.075 -2.460
374 HE1 TRP 54 1HE TRP 54 2.807 -0.653 -3.837
375 HE3 TRP 54 3HE TRP 54 -0.306 0.884 0.213
376 HZ2 TRP 54 2HZ TRP 54 0.222 -2.084 -3.719
377 HZ3 TRP 54 3HZ TRP 54 -2.135 -0.551 -0.460
378 HH2 TRP 54 HH TRP 54 -1.915 -2.030 -2.479
379 H PHE 55 H PHE 55 0.636 3.315 1.677
380 HA PHE 55 HA PHE 55 -1.853 2.532 0.544
381 HB3 PHE 55 2HB PHE 55 -2.677 3.455 2.881
382 HD1 PHE 55 2HD PHE 55 0.397 1.204 2.612
383 HD2 PHE 55 1HD PHE 55 -3.848 1.505 3.411
384 HE1 PHE 55 2HE PHE 55 0.288 -1.213 3.082
385 HE2 PHE 55 1HE PHE 55 -3.905 -0.930 3.833
386 HZ PHE 55 HZ PHE 55 -1.855 -2.293 3.635
387 H GLN 56 H GLN 56 -0.654 5.773 1.476
388 HA GLN 56 HA GLN 56 -2.969 7.284 0.929
389 HB3 GLN 56 2HB GLN 56 -1.066 9.071 0.420
390 HG3 GLN 56 2HG GLN 56 -0.369 8.304 3.091
391 HE21 GLN 56 1HE2 GLN 56 0.053 10.697 1.706
392 HE22 GLN 56 2HE2 GLN 56 -0.775 11.842 2.733
393 H ASN 57 H ASN 57 -0.377 6.135 -1.308
394 HA ASN 57 HA ASN 57 -1.292 7.669 -3.564
395 HB3 ASN 57 2HB ASN 57 0.009 5.581 -4.669
396 HD21 ASN 57 1HD2 ASN 57 2.190 6.903 -2.310
397 HD22 ASN 57 2HD2 ASN 57 2.860 8.154 -3.351
398 H ARG 58 H ARG 58 -1.797 4.325 -2.447
399 HA ARG 58 HA ARG 58 -3.491 3.484 -4.564
400 HB3 ARG 58 2HB ARG 58 -4.004 2.352 -1.850
401 HG3 ARG 58 2HG ARG 58 -4.517 1.115 -4.006
402 HD3 ARG 58 2HD ARG 58 -1.470 0.932 -4.112
403 HE ARG 58 HE ARG 58 -3.449 -1.048 -4.901
404 HH11 ARG 58 1HH1 ARG 58 -0.109 0.042 -5.849
405 HH12 ARG 58 2HH1 ARG 58 0.232 -1.541 -6.477
406 HH21 ARG 58 1HH2 ARG 58 -2.798 -3.009 -5.553
407 HH22 ARG 58 2HH2 ARG 58 -1.196 -3.316 -6.116
408 H ARG 59 H ARG 59 -4.235 4.931 -1.400
409 HA ARG 59 HA ARG 59 -7.053 4.914 -1.590
410 HB3 ARG 59 2HB ARG 59 -5.353 6.913 -0.063
411 HG3 ARG 59 2HG ARG 59 -7.678 5.398 1.109
412 HD3 ARG 59 2HD ARG 59 -6.118 6.897 2.466
413 HE ARG 59 HE ARG 59 -5.742 8.870 1.224
414 HH11 ARG 59 1HH1 ARG 59 -9.038 8.752 2.452
415 HH12 ARG 59 2HH1 ARG 59 -9.454 10.311 1.866
416 HH21 ARG 59 1HH2 ARG 59 -6.289 10.857 0.374
417 HH22 ARG 59 2HH2 ARG 59 -7.862 11.561 0.593
418 H ALA 60 H ALA 60 -4.689 7.373 -2.716
419 HA ALA 60 HA ALA 60 -6.527 9.488 -3.082
420 HB1 ALA 60 1HB ALA 60 -4.819 10.390 -4.594
421 HB2 ALA 60 2HB ALA 60 -4.053 9.685 -3.162
422 HB3 ALA 60 3HB ALA 60 -4.031 8.805 -4.693
423 H LYS 61 H LYS 61 -5.374 7.136 -5.561
424 HA LYS 61 HA LYS 61 -7.048 7.984 -7.622
425 HB3 LYS 61 2HB LYS 61 -6.096 5.136 -7.075
426 HG3 LYS 61 2HG LYS 61 -6.865 6.568 -9.671
427 HD3 LYS 61 2HD LYS 61 -5.452 3.925 -9.146
428 HE3 LYS 61 2HE LYS 61 -7.491 3.838 -10.773
429 HZ1 LYS 61 3HZ LYS 61 -5.458 4.838 -12.648
430 HZ2 LYS 61 1HZ LYS 61 -6.653 5.825 -12.077
431 HZ3 LYS 61 2HZ LYS 61 -7.036 4.486 -12.959
432 H TRP 62 H TRP 62 -7.867 5.620 -5.046
433 HA TRP 62 HA TRP 62 -10.419 4.867 -5.862
434 HB3 TRP 62 2HB TRP 62 -9.138 5.212 -3.167
435 HD1 TRP 62 HD TRP 62 -12.328 3.278 -4.185
436 HE1 TRP 62 1HE TRP 62 -14.087 3.565 -2.390
437 HE3 TRP 62 3HE TRP 62 -9.840 6.561 -1.190
438 HZ2 TRP 62 2HZ TRP 62 -14.310 4.897 0.213
439 HZ3 TRP 62 3HZ TRP 62 -10.798 7.289 0.989
440 HH2 TRP 62 HH TRP 62 -13.036 6.437 1.711
441 H LYS 63 H LYS 63 -9.492 8.026 -4.361
442 HA LYS 63 HA LYS 63 -12.219 8.781 -3.846
443 HB3 LYS 63 2HB LYS 63 -11.326 11.091 -3.709
444 HG3 LYS 63 2HG LYS 63 -9.254 9.484 -2.278
445 HD3 LYS 63 2HD LYS 63 -9.970 11.907 -1.724
446 HE3 LYS 63 2HE LYS 63 -12.280 10.321 -0.509
447 HZ1 LYS 63 3HZ LYS 63 -11.376 12.029 0.994
448 HZ2 LYS 63 1HZ LYS 63 -12.913 12.349 0.529
449 HZ3 LYS 63 2HZ LYS 63 -11.675 13.189 -0.128
450 H ARG 64 H ARG 64 -10.161 9.171 -6.781
451 HA ARG 64 HA ARG 64 -12.292 10.661 -8.101
452 HB3 ARG 64 2HB ARG 64 -10.645 10.262 -10.137
453 HG3 ARG 64 2HG ARG 64 -9.032 12.010 -9.264
454 HD3 ARG 64 2HD ARG 64 -12.008 12.611 -9.090
455 HE ARG 64 HE ARG 64 -10.045 14.392 -8.456
456 HH11 ARG 64 1HH1 ARG 64 -12.201 14.123 -11.335
457 HH12 ARG 64 2HH1 ARG 64 -12.042 15.820 -11.676
458 HH21 ARG 64 1HH2 ARG 64 -10.012 16.652 -8.953
459 HH22 ARG 64 2HH2 ARG 64 -11.157 17.241 -10.160
460 H ILE 65 H ILE 65 -11.745 7.445 -7.513
461 HA ILE 65 HA ILE 65 -13.355 6.540 -9.809
462 HB ILE 65 HB ILE 65 -12.233 5.050 -7.410
463 HG13 ILE 65 2HG1 ILE 65 -10.652 5.878 -9.275
464 HG21 ILE 65 1HG2 ILE 65 -12.956 2.968 -8.578
465 HG22 ILE 65 2HG2 ILE 65 -14.324 3.947 -8.089
466 HG23 ILE 65 3HG2 ILE 65 -13.798 3.953 -9.788
467 HD11 ILE 65 3HD1 ILE 65 -10.800 2.856 -9.014
468 HD12 ILE 65 1HD1 ILE 65 -9.414 3.831 -9.500
469 HD13 ILE 65 2HD1 ILE 65 -10.022 3.959 -7.847
470 H LYS 66 H LYS 66 -13.692 6.699 -6.256
471 HA LYS 66 HA LYS 66 -16.215 5.548 -6.239
472 HB3 LYS 66 2HB LYS 66 -14.512 5.828 -4.332
473 HG3 LYS 66 2HG LYS 66 -16.353 8.135 -3.578
474 HD3 LYS 66 2HD LYS 66 -13.622 7.514 -2.535
475 HE3 LYS 66 2HE LYS 66 -16.101 8.970 -1.547
476 HZ1 LYS 66 3HZ LYS 66 -13.725 8.441 0.145
477 HZ2 LYS 66 1HZ LYS 66 -15.232 7.779 0.329
478 HZ3 LYS 66 2HZ LYS 66 -15.028 9.374 0.509
479 H ALA 67 H ALA 67 -15.463 8.948 -6.146
480 HA ALA 67 HA ALA 67 -18.349 9.651 -6.565
481 HB1 ALA 67 1HB ALA 67 -17.670 10.127 -4.248
482 HB2 ALA 67 2HB ALA 67 -16.317 11.138 -4.854
483 HB3 ALA 67 3HB ALA 67 -17.997 11.617 -5.151
484 H GLY 68 H GLY 68 -15.364 9.639 -7.894
485 HA2 GLY 68 1HA GLY 68 -15.051 12.300 -8.870
486 HA3 GLY 68 2HA GLY 68 -14.212 10.901 -9.504
487 H ASN 69 H ASN 69 -17.598 10.362 -10.008
488 HA ASN 69 HA ASN 69 -17.403 11.259 -12.807
489 HB3 ASN 69 2HB ASN 69 -19.709 10.534 -13.023
490 HD21 ASN 69 1HD2 ASN 69 -19.427 8.847 -14.547
491 HD22 ASN 69 2HD2 ASN 69 -18.426 7.461 -14.238
492 H VAL 70 H VAL 70 -16.906 13.304 -11.651
493 HA VAL 70 HA VAL 70 -19.252 15.146 -11.629
494 HB VAL 70 HB VAL 70 -18.161 14.776 -9.387
495 HG11 VAL 70 1HG1 VAL 70 -15.834 14.493 -10.056
496 HG12 VAL 70 2HG1 VAL 70 -15.766 16.156 -10.676
497 HG13 VAL 70 3HG1 VAL 70 -15.978 15.871 -8.969
498 HG21 VAL 70 3HG2 VAL 70 -19.459 16.809 -9.860
499 HG22 VAL 70 1HG2 VAL 70 -18.165 17.077 -8.688
500 HG23 VAL 70 2HG2 VAL 70 -17.979 17.650 -10.353
501 H SER 71 H SER 71 -17.326 14.015 -13.760
502 HA SER 71 HA SER 71 -16.902 16.505 -15.107
503 HB3 SER 71 2HB SER 71 -14.667 16.535 -15.307
504 HG SER 71 HG SER 71 -14.824 14.448 -13.404
Start of MODEL 2
1 H1 SER 1 H SER 1 6.993 -3.732 -20.041
2 HA SER 1 HA SER 1 5.202 -5.287 -19.583
3 HB3 SER 1 2HB SER 1 4.271 -6.666 -21.325
4 HG SER 1 HG SER 1 3.399 -5.192 -22.696
5 H ALA 2 H ALA 2 5.727 -7.457 -18.914
6 HA ALA 2 HA ALA 2 7.621 -9.029 -20.452
7 HB1 ALA 2 1HB ALA 2 9.221 -8.049 -18.905
8 HB2 ALA 2 2HB ALA 2 8.179 -8.447 -17.522
9 HB3 ALA 2 3HB ALA 2 8.922 -9.738 -18.471
10 HA PRO 3 HA PRO 3 3.758 -10.912 -18.782
11 HB3 PRO 3 2HB PRO 3 2.814 -10.332 -20.815
12 HG3 PRO 3 2HG PRO 3 3.978 -10.629 -22.883
13 HD3 PRO 3 2HD PRO 3 5.232 -9.110 -21.605
14 H GLY 4 H GLY 4 2.962 -13.447 -19.404
15 HA2 GLY 4 1HA GLY 4 3.786 -15.729 -19.466
16 HA3 GLY 4 2HA GLY 4 5.264 -15.183 -18.661
17 H GLY 5 H GLY 5 4.601 -16.928 -17.102
18 HA2 GLY 5 1HA GLY 5 2.341 -16.342 -15.318
19 HA3 GLY 5 2HA GLY 5 3.484 -17.691 -15.201
20 H LYS 6 H LYS 6 2.667 -16.249 -13.025
21 HA LYS 6 HA LYS 6 3.271 -15.139 -11.197
22 HB3 LYS 6 2HB LYS 6 5.637 -15.079 -10.496
23 HG3 LYS 6 2HG LYS 6 4.077 -17.291 -10.726
24 HD3 LYS 6 2HD LYS 6 6.822 -18.217 -11.607
25 HE3 LYS 6 2HE LYS 6 4.113 -19.627 -11.637
26 HZ1 LYS 6 3HZ LYS 6 5.854 -20.632 -13.078
27 HZ2 LYS 6 1HZ LYS 6 5.411 -21.592 -11.827
28 HZ3 LYS 6 2HZ LYS 6 6.821 -20.824 -11.743
29 H SER 7 H SER 7 4.770 -13.166 -10.447
30 HA SER 7 HA SER 7 5.753 -11.470 -12.558
31 HB3 SER 7 2HB SER 7 4.625 -9.434 -11.362
32 HG SER 7 HG SER 7 3.001 -11.134 -12.957
33 H ARG 8 H ARG 8 7.415 -10.090 -11.659
34 HA ARG 8 HA ARG 8 7.681 -9.831 -8.845
35 HB3 ARG 8 2HB ARG 8 10.269 -10.938 -9.714
36 HG3 ARG 8 2HG ARG 8 8.243 -11.431 -7.512
37 HD3 ARG 8 2HD ARG 8 9.909 -13.098 -6.556
38 HE ARG 8 HE ARG 8 8.523 -14.164 -8.966
39 HH11 ARG 8 1HH1 ARG 8 8.413 -13.723 -5.393
40 HH12 ARG 8 2HH1 ARG 8 6.943 -14.612 -5.230
41 HH21 ARG 8 1HH2 ARG 8 6.892 -15.680 -8.619
42 HH22 ARG 8 2HH2 ARG 8 6.101 -15.824 -7.080
43 H ARG 9 H ARG 9 9.592 -8.417 -8.419
44 HA ARG 9 HA ARG 9 10.725 -6.894 -10.652
45 HB3 ARG 9 2HB ARG 9 8.922 -5.598 -8.561
46 HG3 ARG 9 2HG ARG 9 10.895 -4.143 -9.112
47 HD3 ARG 9 2HD ARG 9 11.303 -4.859 -11.439
48 HE ARG 9 HE ARG 9 8.790 -3.324 -12.066
49 HH11 ARG 9 1HH1 ARG 9 11.249 -5.550 -13.211
50 HH12 ARG 9 2HH1 ARG 9 10.188 -6.517 -14.204
51 HH21 ARG 9 1HH2 ARG 9 7.390 -4.329 -13.675
52 HH22 ARG 9 2HH2 ARG 9 7.972 -5.687 -14.545
53 H ARG 10 H ARG 10 10.170 -6.576 -7.049
54 HA ARG 10 HA ARG 10 11.629 -6.147 -5.403
55 HB3 ARG 10 2HB ARG 10 13.142 -8.411 -6.734
56 HG3 ARG 10 2HG ARG 10 12.969 -7.565 -3.800
57 HD3 ARG 10 2HD ARG 10 14.032 -9.986 -5.249
58 HE ARG 10 HE ARG 10 15.586 -8.651 -3.373
59 HH11 ARG 10 1HH1 ARG 10 14.086 -11.874 -3.696
60 HH12 ARG 10 2HH1 ARG 10 15.518 -12.704 -3.149
61 HH21 ARG 10 1HH2 ARG 10 17.495 -9.849 -2.759
62 HH22 ARG 10 2HH2 ARG 10 17.379 -11.575 -2.613
63 H ARG 11 H ARG 11 11.766 -4.141 -6.662
64 HA ARG 11 HA ARG 11 14.546 -3.271 -6.703
65 HB3 ARG 11 2HB ARG 11 12.667 -2.163 -8.805
66 HG3 ARG 11 2HG ARG 11 15.620 -2.909 -9.014
67 HD3 ARG 11 2HD ARG 11 14.104 -0.815 -10.579
68 HE ARG 11 HE ARG 11 16.697 -2.053 -10.886
69 HH11 ARG 11 1HH1 ARG 11 13.957 -0.746 -12.787
70 HH12 ARG 11 2HH1 ARG 11 14.856 -0.770 -14.273
71 HH21 ARG 11 1HH2 ARG 11 17.855 -1.975 -12.867
72 HH22 ARG 11 2HH2 ARG 11 17.156 -1.248 -14.268
73 H THR 12 H THR 12 14.341 -0.740 -6.652
74 HA THR 12 HA THR 12 13.692 1.147 -5.763
75 HB THR 12 HB THR 12 12.051 0.829 -7.692
76 HG1 THR 12 1HG THR 12 12.399 2.792 -6.880
77 HG21 THR 12 3HG2 THR 12 10.014 0.477 -5.450
78 HG22 THR 12 1HG2 THR 12 10.307 -0.609 -6.831
79 HG23 THR 12 2HG2 THR 12 9.651 1.001 -7.094
80 H ALA 13 H ALA 13 11.819 2.176 -4.278
81 HA ALA 13 HA ALA 13 12.426 1.495 -1.691
82 HB1 ALA 13 1HB ALA 13 10.471 2.931 -1.083
83 HB2 ALA 13 2HB ALA 13 11.475 3.647 -2.366
84 HB3 ALA 13 3HB ALA 13 9.923 2.868 -2.774
85 H PHE 14 H PHE 14 9.731 0.096 -3.625
86 HA PHE 14 HA PHE 14 9.003 -1.593 -1.295
87 HB3 PHE 14 2HB PHE 14 6.682 -1.597 -2.025
88 HD1 PHE 14 1HD PHE 14 7.701 1.827 -2.900
89 HD2 PHE 14 2HD PHE 14 6.389 -0.746 0.280
90 HE1 PHE 14 1HE PHE 14 7.305 3.823 -1.465
91 HE2 PHE 14 2HE PHE 14 5.983 1.242 1.717
92 HZ PHE 14 HZ PHE 14 6.465 3.517 0.868
93 H THR 15 H THR 15 9.030 -3.738 -1.817
94 HA THR 15 HA THR 15 9.903 -4.393 -4.557
95 HB THR 15 HB THR 15 10.337 -6.581 -3.819
96 HG1 THR 15 1HG THR 15 10.253 -6.595 -1.243
97 HG21 THR 15 3HG2 THR 15 11.433 -4.598 -1.779
98 HG22 THR 15 1HG2 THR 15 12.001 -4.740 -3.458
99 HG23 THR 15 2HG2 THR 15 12.203 -6.092 -2.331
100 H SER 16 H SER 16 8.806 -6.699 -5.342
101 HA SER 16 HA SER 16 6.115 -6.146 -5.986
102 HB3 SER 16 2HB SER 16 6.079 -8.595 -6.564
103 HG SER 16 HG SER 16 6.849 -7.668 -8.198
104 H GLU 17 H GLU 17 7.520 -8.170 -3.364
105 HA GLU 17 HA GLU 17 4.919 -9.102 -2.561
106 HB3 GLU 17 2HB GLU 17 6.444 -9.494 -0.355
107 HG3 GLU 17 2HG GLU 17 6.652 -10.874 -3.074
108 H GLN 18 H GLN 18 6.917 -6.343 -1.608
109 HA GLN 18 HA GLN 18 5.184 -5.546 0.562
110 HB3 GLN 18 2HB GLN 18 6.333 -3.291 0.248
111 HG3 GLN 18 2HG GLN 18 7.886 -5.887 0.661
112 HE21 GLN 18 1HE2 GLN 18 9.173 -4.623 3.032
113 HE22 GLN 18 2HE2 GLN 18 10.434 -3.615 2.350
114 H LEU 19 H LEU 19 5.381 -4.447 -2.876
115 HA LEU 19 HA LEU 19 3.199 -2.599 -2.682
116 HB3 LEU 19 2HB LEU 19 2.989 -3.099 -5.201
117 HG LEU 19 HG LEU 19 5.790 -2.349 -4.262
118 HD11 LEU 19 1HD1 LEU 19 6.007 -1.324 -6.475
119 HD12 LEU 19 2HD1 LEU 19 4.348 -1.819 -6.898
120 HD13 LEU 19 3HD1 LEU 19 5.612 -3.033 -6.642
121 HD21 LEU 19 3HD2 LEU 19 4.946 0.019 -4.677
122 HD22 LEU 19 1HD2 LEU 19 4.250 -0.781 -3.268
123 HD23 LEU 19 2HD2 LEU 19 3.300 -0.662 -4.760
124 H LEU 20 H LEU 20 3.267 -6.053 -3.555
125 HA LEU 20 HA LEU 20 0.588 -6.407 -4.284
126 HB3 LEU 20 2HB LEU 20 2.536 -8.296 -2.890
127 HG LEU 20 HG LEU 20 0.061 -9.097 -3.069
128 HD11 LEU 20 1HD1 LEU 20 -0.421 -8.308 -5.350
129 HD12 LEU 20 2HD1 LEU 20 -0.465 -10.080 -5.338
130 HD13 LEU 20 3HD1 LEU 20 0.940 -9.244 -5.993
131 HD21 LEU 20 3HD2 LEU 20 2.347 -10.685 -4.277
132 HD22 LEU 20 1HD2 LEU 20 0.814 -11.365 -3.684
133 HD23 LEU 20 2HD2 LEU 20 1.902 -10.558 -2.550
134 H GLU 21 H GLU 21 2.142 -6.752 -1.067
135 HA GLU 21 HA GLU 21 -0.260 -7.569 0.317
136 HB3 GLU 21 2HB GLU 21 1.288 -7.107 2.318
137 HG3 GLU 21 2HG GLU 21 3.174 -8.704 1.541
138 H LEU 22 H LEU 22 1.228 -4.479 -0.451
139 HA LEU 22 HA LEU 22 0.002 -2.931 1.676
140 HB3 LEU 22 2HB LEU 22 0.659 -1.122 -0.276
141 HG LEU 22 HG LEU 22 1.694 -0.727 1.717
142 HD11 LEU 22 1HD1 LEU 22 1.904 -3.061 2.651
143 HD12 LEU 22 2HD1 LEU 22 3.300 -2.030 2.919
144 HD13 LEU 22 3HD1 LEU 22 3.342 -3.273 1.658
145 HD21 LEU 22 3HD2 LEU 22 3.063 -0.164 -0.279
146 HD22 LEU 22 1HD2 LEU 22 3.953 -1.676 -0.080
147 HD23 LEU 22 2HD2 LEU 22 4.034 -0.414 1.177
148 H GLU 23 H GLU 23 -0.684 -3.313 -1.841
149 HA GLU 23 HA GLU 23 -3.072 -1.715 -1.653
150 HB3 GLU 23 2HB GLU 23 -1.934 -2.033 -3.777
151 HG3 GLU 23 2HG GLU 23 -2.576 -4.977 -3.395
152 H LYS 24 H LYS 24 -2.357 -5.115 -1.059
153 HA LYS 24 HA LYS 24 -5.012 -6.079 -1.080
154 HB3 LYS 24 2HB LYS 24 -3.164 -7.341 0.912
155 HG3 LYS 24 2HG LYS 24 -4.838 -8.206 -1.464
156 HD3 LYS 24 2HD LYS 24 -3.734 -10.521 -0.978
157 HE3 LYS 24 2HE LYS 24 -2.128 -8.527 -2.616
158 HZ1 LYS 24 3HZ LYS 24 -2.802 -11.401 -3.028
159 HZ2 LYS 24 1HZ LYS 24 -1.359 -10.852 -2.526
160 HZ3 LYS 24 2HZ LYS 24 -1.910 -10.489 -4.051
161 H GLU 25 H GLU 25 -3.114 -4.532 1.550
162 HA GLU 25 HA GLU 25 -5.353 -4.825 3.379
163 HB3 GLU 25 2HB GLU 25 -3.072 -2.888 3.750
164 HG3 GLU 25 2HG GLU 25 -4.655 -2.870 5.551
165 H PHE 26 H PHE 26 -4.713 -2.525 0.850
166 HA PHE 26 HA PHE 26 -6.466 -0.496 2.117
167 HB3 PHE 26 2HB PHE 26 -5.303 -0.525 -0.703
168 HD1 PHE 26 1HD PHE 26 -5.510 2.029 2.028
169 HD2 PHE 26 2HD PHE 26 -6.934 0.855 -1.866
170 HE1 PHE 26 1HE PHE 26 -6.702 4.199 1.812
171 HE2 PHE 26 2HE PHE 26 -8.143 3.004 -2.078
172 HZ PHE 26 HZ PHE 26 -8.090 4.654 -0.211
173 H HIS 27 H HIS 27 -6.669 -3.209 0.046
174 HA HIS 27 HA HIS 27 -8.685 -2.687 -1.680
175 HB3 HIS 27 2HB HIS 27 -8.130 -5.277 -0.231
176 HD1 HIS 27 1HD HIS 27 -9.751 -7.096 -0.846
177 HD2 HIS 27 2HD HIS 27 -9.036 -4.282 -3.912
178 HE1 HIS 27 1HE HIS 27 -10.998 -7.934 -2.937
179 H CYS 28 H CYS 28 -9.253 -3.958 1.696
180 HA CYS 28 HA CYS 28 -12.125 -3.296 1.349
181 HB3 CYS 28 2HB CYS 28 -10.860 -4.928 3.579
182 HG CYS 28 HG CYS 28 -13.906 -4.685 2.293
183 H LYS 29 H LYS 29 -9.529 -2.989 3.919
184 HA LYS 29 HA LYS 29 -11.074 -0.822 5.179
185 HB3 LYS 29 2HB LYS 29 -9.241 -0.808 6.816
186 HG3 LYS 29 2HG LYS 29 -8.824 -3.266 7.383
187 HD3 LYS 29 2HD LYS 29 -10.629 -1.886 8.501
188 HE3 LYS 29 2HE LYS 29 -12.293 -3.508 6.520
189 HZ1 LYS 29 3HZ LYS 29 -13.198 -2.056 8.933
190 HZ2 LYS 29 1HZ LYS 29 -13.234 -3.661 8.711
191 HZ3 LYS 29 2HZ LYS 29 -14.176 -2.738 7.753
192 H LYS 30 H LYS 30 -10.774 1.328 4.332
193 HA LYS 30 HA LYS 30 -8.266 1.809 2.799
194 HB3 LYS 30 2HB LYS 30 -9.253 4.098 2.490
195 HG3 LYS 30 2HG LYS 30 -9.531 1.905 0.996
196 HD3 LYS 30 2HD LYS 30 -12.313 2.989 1.085
197 HE3 LYS 30 2HE LYS 30 -11.432 1.543 -0.812
198 HZ1 LYS 30 3HZ LYS 30 -11.675 -0.534 1.271
199 HZ2 LYS 30 1HZ LYS 30 -10.269 -0.124 0.513
200 HZ3 LYS 30 2HZ LYS 30 -11.471 -0.863 -0.320
201 H TYR 31 H TYR 31 -8.661 1.463 5.999
202 HA TYR 31 HA TYR 31 -6.699 3.530 6.581
203 HB3 TYR 31 2HB TYR 31 -7.917 4.038 8.754
204 HD1 TYR 31 1HD TYR 31 -10.490 4.250 6.029
205 HD2 TYR 31 2HD TYR 31 -7.285 6.276 8.128
206 HE1 TYR 31 1HE TYR 31 -11.147 6.385 4.973
207 HE2 TYR 31 2HE TYR 31 -7.902 8.399 7.005
208 HH TYR 31 HH TYR 31 -9.225 9.384 5.337
209 H LEU 32 H LEU 32 -5.402 3.126 8.305
210 HA LEU 32 HA LEU 32 -5.397 0.374 9.457
211 HB3 LEU 32 2HB LEU 32 -2.941 0.694 9.666
212 HG LEU 32 HG LEU 32 -3.724 1.156 6.761
213 HD11 LEU 32 1HD1 LEU 32 -1.550 0.112 6.274
214 HD12 LEU 32 2HD1 LEU 32 -1.215 -0.040 8.009
215 HD13 LEU 32 3HD1 LEU 32 -1.337 1.569 7.252
216 HD21 LEU 32 3HD2 LEU 32 -4.889 -0.838 7.530
217 HD22 LEU 32 1HD2 LEU 32 -3.452 -1.405 8.398
218 HD23 LEU 32 2HD2 LEU 32 -3.453 -1.349 6.628
219 H SER 33 H SER 33 -5.669 0.386 11.544
220 HA SER 33 HA SER 33 -5.783 2.767 13.184
221 HB3 SER 33 2HB SER 33 -6.021 0.987 14.970
222 HG SER 33 HG SER 33 -7.834 -0.065 13.736
223 H LEU 34 H LEU 34 -4.430 2.612 15.323
224 HA LEU 34 HA LEU 34 -1.824 3.383 14.453
225 HB3 LEU 34 2HB LEU 34 -1.979 3.033 17.350
226 HG LEU 34 HG LEU 34 -1.834 5.315 15.348
227 HD11 LEU 34 1HD1 LEU 34 -1.812 6.976 17.113
228 HD12 LEU 34 2HD1 LEU 34 -2.174 5.725 18.323
229 HD13 LEU 34 3HD1 LEU 34 -3.370 6.123 17.081
230 HD21 LEU 34 3HD2 LEU 34 -0.037 4.554 17.701
231 HD22 LEU 34 1HD2 LEU 34 0.311 5.742 16.418
232 HD23 LEU 34 2HD2 LEU 34 0.201 4.014 16.041
233 H THR 35 H THR 35 -2.959 0.637 16.341
234 HA THR 35 HA THR 35 -0.429 -0.656 16.614
235 HB THR 35 HB THR 35 -3.236 -1.838 16.632
236 HG1 THR 35 1HG THR 35 -3.056 -0.225 18.127
237 HG21 THR 35 3HG2 THR 35 -1.583 -3.648 16.523
238 HG22 THR 35 1HG2 THR 35 -2.272 -3.552 18.150
239 HG23 THR 35 2HG2 THR 35 -0.646 -2.906 17.834
240 H GLU 36 H GLU 36 -3.020 -1.151 14.138
241 HA GLU 36 HA GLU 36 -1.967 -3.384 12.912
242 HB3 GLU 36 2HB GLU 36 -3.225 -2.787 10.882
243 HG3 GLU 36 2HG GLU 36 -5.451 -2.368 11.875
244 H ARG 37 H ARG 37 -1.239 0.047 12.140
245 HA ARG 37 HA ARG 37 0.318 -0.460 9.818
246 HB3 ARG 37 2HB ARG 37 0.569 1.819 11.820
247 HG3 ARG 37 2HG ARG 37 1.394 1.597 8.899
248 HD3 ARG 37 2HD ARG 37 0.380 3.779 9.424
249 HE ARG 37 HE ARG 37 2.091 3.697 11.776
250 HH11 ARG 37 1HH1 ARG 37 0.429 5.918 9.537
251 HH12 ARG 37 2HH1 ARG 37 0.523 7.253 10.639
252 HH21 ARG 37 1HH2 ARG 37 2.124 5.395 13.202
253 HH22 ARG 37 2HH2 ARG 37 1.790 7.019 12.671
254 H SER 38 H SER 38 1.267 -0.500 13.241
255 HA SER 38 HA SER 38 4.112 -0.646 12.769
256 HB3 SER 38 2HB SER 38 2.508 -1.703 15.134
257 HG SER 38 HG SER 38 4.285 -1.651 16.152
258 H GLN 39 H GLN 39 1.468 -3.021 13.331
259 HA GLN 39 HA GLN 39 3.144 -5.292 13.418
260 HB3 GLN 39 2HB GLN 39 1.025 -6.549 13.082
261 HG3 GLN 39 2HG GLN 39 -0.230 -4.767 14.903
262 HE21 GLN 39 1HE2 GLN 39 -1.216 -6.770 15.392
263 HE22 GLN 39 2HE2 GLN 39 -0.405 -8.048 16.274
264 H ILE 40 H ILE 40 1.206 -3.956 10.736
265 HA ILE 40 HA ILE 40 1.966 -5.805 8.737
266 HB ILE 40 HB ILE 40 1.125 -2.879 8.585
267 HG13 ILE 40 2HG1 ILE 40 -0.491 -4.737 9.563
268 HG21 ILE 40 1HG2 ILE 40 2.024 -3.178 6.449
269 HG22 ILE 40 2HG2 ILE 40 1.655 -4.929 6.422
270 HG23 ILE 40 3HG2 ILE 40 0.365 -3.753 6.213
271 HD11 ILE 40 3HD1 ILE 40 -1.264 -2.479 8.974
272 HD12 ILE 40 1HD1 ILE 40 -1.404 -2.950 7.277
273 HD13 ILE 40 2HD1 ILE 40 -2.433 -3.724 8.502
274 H ALA 41 H ALA 41 3.482 -2.688 9.769
275 HA ALA 41 HA ALA 41 5.475 -2.633 7.787
276 HB1 ALA 41 1HB ALA 41 5.058 -0.712 9.285
277 HB2 ALA 41 2HB ALA 41 5.673 -1.636 10.667
278 HB3 ALA 41 3HB ALA 41 6.757 -1.196 9.341
279 H HIS 42 H HIS 42 5.502 -4.164 11.033
280 HA HIS 42 HA HIS 42 8.153 -5.187 10.840
281 HB3 HIS 42 2HB HIS 42 7.307 -6.792 12.642
282 HD1 HIS 42 1HD HIS 42 8.152 -5.981 14.976
283 HD2 HIS 42 2HD HIS 42 7.067 -2.904 12.301
284 HE1 HIS 42 1HE HIS 42 8.949 -3.812 16.003
285 H ALA 43 H ALA 43 5.014 -6.671 9.861
286 HA ALA 43 HA ALA 43 6.011 -9.238 9.214
287 HB1 ALA 43 1HB ALA 43 4.111 -9.415 7.682
288 HB2 ALA 43 2HB ALA 43 3.585 -8.611 9.172
289 HB3 ALA 43 3HB ALA 43 3.867 -7.660 7.707
290 H LEU 44 H LEU 44 5.842 -6.281 7.241
291 HA LEU 44 HA LEU 44 7.130 -7.628 4.957
292 HB3 LEU 44 2HB LEU 44 6.518 -5.619 3.745
293 HG LEU 44 HG LEU 44 4.140 -6.375 5.475
294 HD11 LEU 44 1HD1 LEU 44 2.919 -5.599 3.435
295 HD12 LEU 44 2HD1 LEU 44 4.479 -5.095 2.724
296 HD13 LEU 44 3HD1 LEU 44 3.860 -4.324 4.202
297 HD21 LEU 44 3HD2 LEU 44 5.093 -8.420 4.451
298 HD22 LEU 44 1HD2 LEU 44 5.090 -7.622 2.850
299 HD23 LEU 44 2HD2 LEU 44 3.569 -7.967 3.707
300 H LYS 45 H LYS 45 8.564 -6.383 7.553
301 HA LYS 45 HA LYS 45 10.544 -5.416 8.041
302 HB3 LYS 45 2HB LYS 45 11.473 -5.513 5.170
303 HG3 LYS 45 2HG LYS 45 12.953 -4.748 7.080
304 HD3 LYS 45 2HD LYS 45 12.213 -6.663 8.695
305 HE3 LYS 45 2HE LYS 45 13.861 -8.572 8.635
306 HZ1 LYS 45 3HZ LYS 45 12.628 -9.935 7.281
307 HZ2 LYS 45 1HZ LYS 45 12.102 -8.747 6.273
308 HZ3 LYS 45 2HZ LYS 45 11.546 -8.832 7.799
309 H LEU 46 H LEU 46 8.248 -3.765 6.853
310 HA LEU 46 HA LEU 46 9.748 -1.500 5.709
311 HB3 LEU 46 2HB LEU 46 7.310 -0.430 5.834
312 HG LEU 46 HG LEU 46 8.034 -2.775 4.078
313 HD11 LEU 46 1HD1 LEU 46 6.066 -2.417 2.706
314 HD12 LEU 46 2HD1 LEU 46 5.511 -1.106 3.763
315 HD13 LEU 46 3HD1 LEU 46 5.547 -2.767 4.361
316 HD21 LEU 46 3HD2 LEU 46 7.438 0.052 3.216
317 HD22 LEU 46 1HD2 LEU 46 8.388 -1.166 2.377
318 HD23 LEU 46 2HD2 LEU 46 9.036 -0.352 3.834
319 H SER 47 H SER 47 8.834 0.656 6.830
320 HA SER 47 HA SER 47 8.925 0.447 9.782
321 HB3 SER 47 2HB SER 47 10.151 2.603 9.818
322 HG SER 47 HG SER 47 12.172 1.745 9.167
323 H GLU 48 H GLU 48 7.644 2.357 10.724
324 HA GLU 48 HA GLU 48 5.079 2.292 9.622
325 HB3 GLU 48 2HB GLU 48 4.610 4.298 11.005
326 HG3 GLU 48 2HG GLU 48 6.261 2.290 12.574
327 H VAL 49 H VAL 49 7.673 4.503 8.948
328 HA VAL 49 HA VAL 49 6.150 6.713 7.906
329 HB VAL 49 HB VAL 49 9.079 5.890 7.894
330 HG11 VAL 49 1HG1 VAL 49 7.900 8.395 6.632
331 HG12 VAL 49 2HG1 VAL 49 9.627 8.127 6.983
332 HG13 VAL 49 3HG1 VAL 49 8.814 7.108 5.801
333 HG21 VAL 49 3HG2 VAL 49 7.518 8.209 9.120
334 HG22 VAL 49 1HG2 VAL 49 8.064 6.763 10.002
335 HG23 VAL 49 2HG2 VAL 49 9.256 7.886 9.348
336 H GLN 50 H GLN 50 7.966 3.973 6.440
337 HA GLN 50 HA GLN 50 7.437 4.662 3.733
338 HB3 GLN 50 2HB GLN 50 7.780 2.170 3.379
339 HG3 GLN 50 2HG GLN 50 10.060 1.976 4.618
340 HE21 GLN 50 1HE2 GLN 50 11.997 3.593 3.737
341 HE22 GLN 50 2HE2 GLN 50 11.796 3.830 2.033
342 H VAL 51 H VAL 51 5.603 2.763 6.159
343 HA VAL 51 HA VAL 51 3.577 1.925 4.250
344 HB VAL 51 HB VAL 51 3.249 2.076 7.274
345 HG11 VAL 51 1HG1 VAL 51 1.670 0.174 6.885
346 HG12 VAL 51 2HG1 VAL 51 1.147 1.632 6.025
347 HG13 VAL 51 3HG1 VAL 51 1.940 0.306 5.147
348 HG21 VAL 51 3HG2 VAL 51 4.434 -0.168 5.580
349 HG22 VAL 51 1HG2 VAL 51 5.266 0.747 6.859
350 HG23 VAL 51 2HG2 VAL 51 3.941 -0.332 7.276
351 H LYS 52 H LYS 52 3.631 4.448 6.794
352 HA LYS 52 HA LYS 52 1.181 5.679 6.387
353 HB3 LYS 52 2HB LYS 52 3.889 6.847 7.133
354 HG3 LYS 52 2HG LYS 52 1.145 7.991 7.737
355 HD3 LYS 52 2HD LYS 52 3.803 8.355 8.942
356 HE3 LYS 52 2HE LYS 52 2.397 10.848 7.897
357 HZ1 LYS 52 3HZ LYS 52 5.119 10.549 9.108
358 HZ2 LYS 52 1HZ LYS 52 3.806 11.124 9.937
359 HZ3 LYS 52 2HZ LYS 52 4.399 11.918 8.651
360 H ILE 53 H ILE 53 4.273 6.529 4.719
361 HA ILE 53 HA ILE 53 3.070 8.619 3.170
362 HB ILE 53 HB ILE 53 5.630 7.007 2.719
363 HG13 ILE 53 2HG1 ILE 53 5.557 8.369 4.914
364 HG21 ILE 53 1HG2 ILE 53 4.777 9.710 1.566
365 HG22 ILE 53 2HG2 ILE 53 6.300 8.849 1.224
366 HG23 ILE 53 3HG2 ILE 53 4.783 8.201 0.645
367 HD11 ILE 53 3HD1 ILE 53 7.425 9.675 2.911
368 HD12 ILE 53 1HD1 ILE 53 7.581 9.572 4.655
369 HD13 ILE 53 2HD1 ILE 53 7.739 8.094 3.680
370 H TRP 54 H TRP 54 3.702 5.116 2.461
371 HA TRP 54 HA TRP 54 2.827 5.262 -0.241
372 HB3 TRP 54 2HB TRP 54 2.484 2.867 1.600
373 HD1 TRP 54 HD TRP 54 4.430 2.666 -1.629
374 HE1 TRP 54 1HE TRP 54 3.154 1.247 -3.310
375 HE3 TRP 54 3HE TRP 54 0.005 2.267 0.882
376 HZ2 TRP 54 2HZ TRP 54 0.463 0.064 -3.554
377 HZ3 TRP 54 3HZ TRP 54 -1.848 0.953 -0.032
378 HH2 TRP 54 HH TRP 54 -1.649 -0.110 -2.288
379 H PHE 55 H PHE 55 0.967 4.485 2.759
380 HA PHE 55 HA PHE 55 -1.542 4.257 1.386
381 HB3 PHE 55 2HB PHE 55 -2.466 4.687 3.772
382 HD1 PHE 55 2HD PHE 55 0.491 2.346 3.439
383 HD2 PHE 55 1HD PHE 55 -3.816 2.732 3.538
384 HE1 PHE 55 2HE PHE 55 0.263 -0.095 3.273
385 HE2 PHE 55 1HE PHE 55 -3.978 0.216 3.332
386 HZ PHE 55 HZ PHE 55 -1.964 -1.119 3.134
387 H GLN 56 H GLN 56 0.166 7.098 2.760
388 HA GLN 56 HA GLN 56 -1.958 8.974 2.535
389 HB3 GLN 56 2HB GLN 56 0.163 10.496 1.912
390 HG3 GLN 56 2HG GLN 56 0.302 9.419 4.733
391 HE21 GLN 56 1HE2 GLN 56 2.481 10.619 4.129
392 HE22 GLN 56 2HE2 GLN 56 2.450 12.323 4.508
393 H ASN 57 H ASN 57 0.468 7.884 0.029
394 HA ASN 57 HA ASN 57 -0.563 9.634 -1.991
395 HB3 ASN 57 2HB ASN 57 0.530 7.505 -3.366
396 HD21 ASN 57 1HD2 ASN 57 3.363 7.980 -2.285
397 HD22 ASN 57 2HD2 ASN 57 3.776 9.509 -3.035
398 H ARG 58 H ARG 58 -1.265 6.265 -1.105
399 HA ARG 58 HA ARG 58 -3.151 5.708 -3.132
400 HB3 ARG 58 2HB ARG 58 -3.879 4.358 -0.691
401 HG3 ARG 58 2HG ARG 58 -3.980 3.281 -2.872
402 HD3 ARG 58 2HD ARG 58 -2.177 4.049 -4.207
403 HE ARG 58 HE ARG 58 -0.447 3.463 -1.906
404 HH11 ARG 58 1HH1 ARG 58 -0.196 3.799 -5.414
405 HH12 ARG 58 2HH1 ARG 58 1.143 4.935 -5.343
406 HH21 ARG 58 1HH2 ARG 58 1.452 4.742 -1.856
407 HH22 ARG 58 2HH2 ARG 58 2.226 5.254 -3.332
408 H ARG 59 H ARG 59 -3.754 7.066 0.161
409 HA ARG 59 HA ARG 59 -6.553 7.318 -0.077
410 HB3 ARG 59 2HB ARG 59 -6.264 9.314 1.482
411 HG3 ARG 59 2HG ARG 59 -4.767 6.898 2.559
412 HD3 ARG 59 2HD ARG 59 -6.262 7.496 4.535
413 HE ARG 59 HE ARG 59 -4.551 9.834 3.869
414 HH11 ARG 59 1HH1 ARG 59 -4.735 6.813 5.825
415 HH12 ARG 59 2HH1 ARG 59 -3.756 7.487 7.089
416 HH21 ARG 59 1HH2 ARG 59 -3.100 10.485 5.309
417 HH22 ARG 59 2HH2 ARG 59 -2.496 9.468 6.596
418 H ALA 60 H ALA 60 -3.977 9.521 -1.312
419 HA ALA 60 HA ALA 60 -5.808 11.641 -1.931
420 HB1 ALA 60 1HB ALA 60 -3.880 12.482 -3.289
421 HB2 ALA 60 2HB ALA 60 -3.424 12.095 -1.616
422 HB3 ALA 60 3HB ALA 60 -2.992 10.989 -2.938
423 H LYS 61 H LYS 61 -4.151 9.144 -3.934
424 HA LYS 61 HA LYS 61 -5.492 9.926 -6.296
425 HB3 LYS 61 2HB LYS 61 -3.380 8.574 -6.041
426 HG3 LYS 61 2HG LYS 61 -5.329 6.242 -5.807
427 HD3 LYS 61 2HD LYS 61 -3.103 4.920 -6.126
428 HE3 LYS 61 2HE LYS 61 -3.376 5.150 -8.735
429 HZ1 LYS 61 3HZ LYS 61 -5.678 4.131 -8.497
430 HZ2 LYS 61 1HZ LYS 61 -5.414 4.197 -6.853
431 HZ3 LYS 61 2HZ LYS 61 -4.433 3.343 -7.837
432 H TRP 62 H TRP 62 -6.434 7.549 -3.819
433 HA TRP 62 HA TRP 62 -8.624 6.325 -5.030
434 HB3 TRP 62 2HB TRP 62 -8.183 7.187 -2.150
435 HD1 TRP 62 HD TRP 62 -10.297 4.522 -4.003
436 HE1 TRP 62 1HE TRP 62 -12.303 3.950 -2.578
437 HE3 TRP 62 3HE TRP 62 -9.464 7.777 -0.135
438 HZ2 TRP 62 2HZ TRP 62 -13.522 4.890 -0.116
439 HZ3 TRP 62 3HZ TRP 62 -11.093 7.932 1.742
440 HH2 TRP 62 HH TRP 62 -13.119 6.475 1.762
441 H LYS 63 H LYS 63 -8.556 9.466 -3.244
442 HA LYS 63 HA LYS 63 -11.346 9.903 -3.297
443 HB3 LYS 63 2HB LYS 63 -10.700 12.331 -3.110
444 HG3 LYS 63 2HG LYS 63 -9.103 11.687 -0.951
445 HD3 LYS 63 2HD LYS 63 -12.128 11.479 -1.206
446 HE3 LYS 63 2HE LYS 63 -11.308 10.458 0.950
447 HZ1 LYS 63 3HZ LYS 63 -9.439 11.783 1.567
448 HZ2 LYS 63 1HZ LYS 63 -10.632 12.235 2.598
449 HZ3 LYS 63 2HZ LYS 63 -10.252 13.197 1.353
450 H ARG 64 H ARG 64 -8.948 10.485 -5.893
451 HA ARG 64 HA ARG 64 -10.823 12.023 -7.523
452 HB3 ARG 64 2HB ARG 64 -8.866 11.682 -9.218
453 HG3 ARG 64 2HG ARG 64 -7.209 12.968 -7.448
454 HD3 ARG 64 2HD ARG 64 -9.149 14.945 -8.247
455 HE ARG 64 HE ARG 64 -6.407 14.562 -8.556
456 HH11 ARG 64 1HH1 ARG 64 -8.993 15.667 -10.802
457 HH12 ARG 64 2HH1 ARG 64 -7.871 16.597 -11.746
458 HH21 ARG 64 1HH2 ARG 64 -5.007 15.808 -9.885
459 HH22 ARG 64 2HH2 ARG 64 -5.704 16.700 -11.216
460 H ILE 65 H ILE 65 -10.725 8.815 -6.770
461 HA ILE 65 HA ILE 65 -11.744 8.019 -9.436
462 HB ILE 65 HB ILE 65 -10.931 6.182 -7.159
463 HG13 ILE 65 2HG1 ILE 65 -8.966 7.490 -8.166
464 HG21 ILE 65 1HG2 ILE 65 -11.537 5.651 -10.106
465 HG22 ILE 65 2HG2 ILE 65 -11.060 4.424 -8.923
466 HG23 ILE 65 3HG2 ILE 65 -12.606 5.252 -8.749
467 HD11 ILE 65 3HD1 ILE 65 -7.505 5.629 -8.261
468 HD12 ILE 65 1HD1 ILE 65 -8.726 5.259 -7.034
469 HD13 ILE 65 2HD1 ILE 65 -8.829 4.509 -8.641
470 H LYS 66 H LYS 66 -12.263 7.661 -5.926
471 HA LYS 66 HA LYS 66 -14.905 6.607 -6.182
472 HB3 LYS 66 2HB LYS 66 -13.393 6.206 -4.278
473 HG3 LYS 66 2HG LYS 66 -13.453 9.098 -3.978
474 HD3 LYS 66 2HD LYS 66 -13.908 7.785 -1.350
475 HE3 LYS 66 2HE LYS 66 -14.135 10.505 -2.586
476 HZ1 LYS 66 3HZ LYS 66 -16.370 10.272 -1.890
477 HZ2 LYS 66 1HZ LYS 66 -15.599 11.241 -0.815
478 HZ3 LYS 66 2HZ LYS 66 -15.940 9.687 -0.402
479 H ALA 67 H ALA 67 -13.752 9.885 -6.271
480 HA ALA 67 HA ALA 67 -16.453 11.062 -6.176
481 HB1 ALA 67 1HB ALA 67 -13.738 12.322 -6.767
482 HB2 ALA 67 2HB ALA 67 -15.281 13.164 -6.578
483 HB3 ALA 67 3HB ALA 67 -14.555 12.345 -5.185
484 H GLY 68 H GLY 68 -16.817 9.284 -7.768
485 HA2 GLY 68 1HA GLY 68 -16.740 10.498 -10.499
486 HA3 GLY 68 2HA GLY 68 -16.100 8.864 -10.269
487 H ASN 69 H ASN 69 -18.881 9.871 -8.386
488 HA ASN 69 HA ASN 69 -20.727 8.229 -10.076
489 HB3 ASN 69 2HB ASN 69 -21.308 7.082 -7.889
490 HD21 ASN 69 1HD2 ASN 69 -21.315 5.394 -9.475
491 HD22 ASN 69 2HD2 ASN 69 -19.882 4.688 -10.164
492 H VAL 70 H VAL 70 -20.397 11.006 -9.015
493 HA VAL 70 HA VAL 70 -22.904 11.627 -7.596
494 HB VAL 70 HB VAL 70 -22.150 13.951 -7.705
495 HG11 VAL 70 1HG1 VAL 70 -20.231 13.762 -6.251
496 HG12 VAL 70 2HG1 VAL 70 -21.384 12.468 -5.888
497 HG13 VAL 70 3HG1 VAL 70 -19.895 12.114 -6.808
498 HG21 VAL 70 3HG2 VAL 70 -20.984 13.948 -9.894
499 HG22 VAL 70 1HG2 VAL 70 -19.951 14.566 -8.604
500 HG23 VAL 70 2HG2 VAL 70 -19.704 12.919 -9.219
501 H SER 71 H SER 71 -22.667 10.423 -10.509
502 HA SER 71 HA SER 71 -24.919 11.847 -11.565
503 HB3 SER 71 2HB SER 71 -22.548 11.105 -13.337
504 HG SER 71 HG SER 71 -24.274 11.362 -14.625
Start of MODEL 3
1 H1 SER 1 H SER 1 10.125 10.687 -7.866
2 HA SER 1 HA SER 1 9.010 9.311 -9.527
3 HB3 SER 1 2HB SER 1 12.011 8.966 -9.867
4 HG SER 1 HG SER 1 11.415 9.535 -12.007
5 H ALA 2 H ALA 2 8.330 7.265 -10.010
6 HA ALA 2 HA ALA 2 10.118 4.991 -9.827
7 HB1 ALA 2 1HB ALA 2 8.623 3.609 -8.427
8 HB2 ALA 2 2HB ALA 2 9.262 4.986 -7.506
9 HB3 ALA 2 3HB ALA 2 7.601 5.023 -8.102
10 HA PRO 3 HA PRO 3 6.875 4.767 -13.173
11 HB3 PRO 3 2HB PRO 3 8.198 6.025 -14.652
12 HG3 PRO 3 2HG PRO 3 10.584 5.900 -14.591
13 HD3 PRO 3 2HD PRO 3 9.940 6.593 -12.421
14 H GLY 4 H GLY 4 6.374 2.800 -14.504
15 HA2 GLY 4 1HA GLY 4 6.702 0.696 -15.327
16 HA3 GLY 4 2HA GLY 4 8.136 0.480 -14.318
17 H GLY 5 H GLY 5 5.013 -0.560 -14.745
18 HA2 GLY 5 1HA GLY 5 4.342 -1.289 -11.997
19 HA3 GLY 5 2HA GLY 5 3.622 -1.897 -13.497
20 H LYS 6 H LYS 6 3.955 -4.093 -13.681
21 HA LYS 6 HA LYS 6 4.937 -6.078 -13.813
22 HB3 LYS 6 2HB LYS 6 7.192 -6.096 -14.817
23 HG3 LYS 6 2HG LYS 6 5.284 -3.972 -15.899
24 HD3 LYS 6 2HD LYS 6 7.763 -5.248 -17.098
25 HE3 LYS 6 2HE LYS 6 5.412 -3.858 -18.421
26 HZ1 LYS 6 3HZ LYS 6 8.097 -4.348 -19.551
27 HZ2 LYS 6 1HZ LYS 6 7.415 -2.872 -19.225
28 HZ3 LYS 6 2HZ LYS 6 6.806 -3.828 -20.405
29 H SER 7 H SER 7 5.157 -4.707 -11.019
30 HA SER 7 HA SER 7 7.579 -5.848 -9.895
31 HB3 SER 7 2HB SER 7 6.764 -4.884 -7.807
32 HG SER 7 HG SER 7 7.466 -3.483 -9.704
33 H ARG 8 H ARG 8 7.735 -7.981 -9.453
34 HA ARG 8 HA ARG 8 5.581 -9.377 -8.025
35 HB3 ARG 8 2HB ARG 8 6.525 -10.610 -10.642
36 HG3 ARG 8 2HG ARG 8 4.005 -10.904 -8.935
37 HD3 ARG 8 2HD ARG 8 4.792 -12.451 -11.431
38 HE ARG 8 HE ARG 8 2.436 -12.541 -9.604
39 HH11 ARG 8 1HH1 ARG 8 3.959 -13.960 -12.548
40 HH12 ARG 8 2HH1 ARG 8 2.844 -15.289 -12.562
41 HH21 ARG 8 1HH2 ARG 8 1.207 -14.419 -9.567
42 HH22 ARG 8 2HH2 ARG 8 1.238 -15.547 -10.880
43 H ARG 9 H ARG 9 8.330 -8.627 -7.205
44 HA ARG 9 HA ARG 9 9.301 -11.254 -6.402
45 HB3 ARG 9 2HB ARG 9 10.228 -11.200 -8.680
46 HG3 ARG 9 2HG ARG 9 11.652 -8.632 -7.903
47 HD3 ARG 9 2HD ARG 9 11.439 -10.137 -10.517
48 HE ARG 9 HE ARG 9 11.157 -7.438 -10.260
49 HH11 ARG 9 1HH1 ARG 9 13.783 -9.337 -11.778
50 HH12 ARG 9 2HH1 ARG 9 14.102 -8.112 -12.961
51 HH21 ARG 9 1HH2 ARG 9 11.455 -6.023 -11.738
52 HH22 ARG 9 2HH2 ARG 9 12.529 -6.235 -13.102
53 H ARG 10 H ARG 10 10.988 -11.081 -4.796
54 HA ARG 10 HA ARG 10 11.373 -8.651 -3.364
55 HB3 ARG 10 2HB ARG 10 13.070 -11.160 -3.231
56 HG3 ARG 10 2HG ARG 10 12.295 -9.059 -1.150
57 HD3 ARG 10 2HD ARG 10 13.399 -11.871 -0.818
58 HE ARG 10 HE ARG 10 14.198 -9.712 0.718
59 HH11 ARG 10 1HH1 ARG 10 12.468 -12.776 1.431
60 HH12 ARG 10 2HH1 ARG 10 13.146 -12.900 3.015
61 HH21 ARG 10 1HH2 ARG 10 15.116 -9.982 2.733
62 HH22 ARG 10 2HH2 ARG 10 14.724 -11.276 3.799
63 H ARG 11 H ARG 11 11.810 -7.600 -5.644
64 HA ARG 11 HA ARG 11 14.345 -6.351 -5.472
65 HB3 ARG 11 2HB ARG 11 14.363 -7.111 -8.221
66 HG3 ARG 11 2HG ARG 11 16.310 -8.662 -7.360
67 HD3 ARG 11 2HD ARG 11 16.656 -6.625 -8.640
68 HE ARG 11 HE ARG 11 16.258 -4.625 -7.766
69 HH11 ARG 11 1HH1 ARG 11 17.789 -6.514 -5.119
70 HH12 ARG 11 2HH1 ARG 11 17.484 -5.226 -3.952
71 HH21 ARG 11 1HH2 ARG 11 16.351 -2.853 -6.283
72 HH22 ARG 11 2HH2 ARG 11 16.938 -3.095 -4.710
73 H THR 12 H THR 12 14.058 -4.317 -6.406
74 HA THR 12 HA THR 12 13.155 -2.554 -7.400
75 HB THR 12 HB THR 12 11.401 -4.231 -9.136
76 HG1 THR 12 1HG THR 12 14.217 -3.906 -9.318
77 HG21 THR 12 3HG2 THR 12 11.965 -2.572 -10.851
78 HG22 THR 12 1HG2 THR 12 13.044 -1.725 -9.688
79 HG23 THR 12 2HG2 THR 12 11.289 -1.806 -9.396
80 H ALA 13 H ALA 13 11.805 -1.339 -6.474
81 HA ALA 13 HA ALA 13 10.533 -0.621 -4.766
82 HB1 ALA 13 1HB ALA 13 9.288 -0.179 -6.862
83 HB2 ALA 13 2HB ALA 13 8.292 -1.615 -6.543
84 HB3 ALA 13 3HB ALA 13 8.298 -0.252 -5.398
85 H PHE 14 H PHE 14 8.580 -3.500 -5.571
86 HA PHE 14 HA PHE 14 8.393 -4.251 -2.713
87 HB3 PHE 14 2HB PHE 14 5.936 -4.374 -2.870
88 HD1 PHE 14 1HD PHE 14 6.567 -1.371 -4.809
89 HD2 PHE 14 2HD PHE 14 6.205 -2.967 -0.898
90 HE1 PHE 14 1HE PHE 14 6.390 0.983 -3.901
91 HE2 PHE 14 2HE PHE 14 5.909 -0.676 0.053
92 HZ PHE 14 HZ PHE 14 6.045 1.295 -1.442
93 H THR 15 H THR 15 7.117 -6.441 -2.547
94 HA THR 15 HA THR 15 7.896 -8.130 -4.829
95 HB THR 15 HB THR 15 8.380 -9.838 -3.360
96 HG1 THR 15 1HG THR 15 7.541 -9.831 -1.167
97 HG21 THR 15 3HG2 THR 15 8.811 -7.698 -1.283
98 HG22 THR 15 1HG2 THR 15 9.737 -7.660 -2.775
99 HG23 THR 15 2HG2 THR 15 9.810 -9.091 -1.698
100 H SER 16 H SER 16 6.314 -10.274 -4.824
101 HA SER 16 HA SER 16 3.761 -9.269 -5.592
102 HB3 SER 16 2HB SER 16 3.264 -11.512 -6.124
103 HG SER 16 HG SER 16 5.601 -12.488 -6.329
104 H GLU 17 H GLU 17 5.006 -10.993 -2.746
105 HA GLU 17 HA GLU 17 2.569 -11.282 -1.297
106 HB3 GLU 17 2HB GLU 17 4.288 -11.379 0.643
107 HG3 GLU 17 2HG GLU 17 4.486 -13.161 -1.806
108 H GLN 18 H GLN 18 5.184 -8.798 -1.084
109 HA GLN 18 HA GLN 18 3.846 -7.316 0.938
110 HB3 GLN 18 2HB GLN 18 5.441 -5.469 0.283
111 HG3 GLN 18 2HG GLN 18 6.658 -8.231 0.703
112 HE21 GLN 18 1HE2 GLN 18 8.145 -7.303 3.024
113 HE22 GLN 18 2HE2 GLN 18 9.458 -6.346 2.423
114 H LEU 19 H LEU 19 3.488 -7.183 -2.585
115 HA LEU 19 HA LEU 19 1.917 -4.701 -2.502
116 HB3 LEU 19 2HB LEU 19 1.286 -5.549 -4.890
117 HG LEU 19 HG LEU 19 4.181 -5.042 -4.128
118 HD11 LEU 19 1HD1 LEU 19 4.075 -6.230 -6.279
119 HD12 LEU 19 2HD1 LEU 19 4.589 -4.546 -6.465
120 HD13 LEU 19 3HD1 LEU 19 2.921 -5.013 -6.882
121 HD21 LEU 19 3HD2 LEU 19 2.782 -3.112 -3.664
122 HD22 LEU 19 1HD2 LEU 19 2.021 -3.229 -5.269
123 HD23 LEU 19 2HD2 LEU 19 3.730 -2.773 -5.108
124 H LEU 20 H LEU 20 1.251 -8.197 -2.686
125 HA LEU 20 HA LEU 20 -1.549 -7.945 -3.147
126 HB3 LEU 20 2HB LEU 20 0.205 -10.200 -2.080
127 HG LEU 20 HG LEU 20 -1.420 -11.706 -3.229
128 HD11 LEU 20 1HD1 LEU 20 -1.196 -11.692 -0.823
129 HD12 LEU 20 2HD1 LEU 20 -2.879 -12.002 -1.300
130 HD13 LEU 20 3HD1 LEU 20 -2.408 -10.431 -0.667
131 HD21 LEU 20 3HD2 LEU 20 -3.765 -11.088 -3.439
132 HD22 LEU 20 1HD2 LEU 20 -2.723 -10.111 -4.497
133 HD23 LEU 20 2HD2 LEU 20 -3.373 -9.399 -3.007
134 H GLU 21 H GLU 21 0.413 -8.285 -0.161
135 HA GLU 21 HA GLU 21 -1.826 -8.383 1.638
136 HB3 GLU 21 2HB GLU 21 0.046 -7.613 3.280
137 HG3 GLU 21 2HG GLU 21 1.264 -9.861 2.987
138 H LEU 22 H LEU 22 -0.137 -5.732 0.032
139 HA LEU 22 HA LEU 22 -1.019 -3.693 1.891
140 HB3 LEU 22 2HB LEU 22 -0.365 -2.466 -0.558
141 HG LEU 22 HG LEU 22 0.662 -1.541 1.287
142 HD11 LEU 22 1HD1 LEU 22 0.747 -3.306 2.964
143 HD12 LEU 22 2HD1 LEU 22 2.378 -2.672 2.732
144 HD13 LEU 22 3HD1 LEU 22 1.910 -4.216 1.996
145 HD21 LEU 22 3HD2 LEU 22 2.106 -1.813 -0.826
146 HD22 LEU 22 1HD2 LEU 22 3.015 -3.016 0.071
147 HD23 LEU 22 2HD2 LEU 22 2.942 -1.349 0.678
148 H GLU 23 H GLU 23 -2.265 -4.906 -1.247
149 HA GLU 23 HA GLU 23 -4.461 -3.023 -1.182
150 HB3 GLU 23 2HB GLU 23 -3.837 -3.800 -3.309
151 HG3 GLU 23 2HG GLU 23 -4.084 -6.561 -2.210
152 H LYS 24 H LYS 24 -3.876 -6.277 0.133
153 HA LYS 24 HA LYS 24 -6.577 -6.901 0.890
154 HB3 LYS 24 2HB LYS 24 -4.727 -7.695 2.976
155 HG3 LYS 24 2HG LYS 24 -6.711 -8.987 1.586
156 HD3 LYS 24 2HD LYS 24 -5.483 -11.066 0.751
157 HE3 LYS 24 2HE LYS 24 -4.499 -9.851 -1.392
158 HZ1 LYS 24 3HZ LYS 24 -6.842 -9.473 -2.153
159 HZ2 LYS 24 1HZ LYS 24 -7.334 -9.960 -0.649
160 HZ3 LYS 24 2HZ LYS 24 -6.516 -10.996 -1.595
161 H GLU 25 H GLU 25 -3.956 -5.261 2.657
162 HA GLU 25 HA GLU 25 -5.470 -4.545 4.889
163 HB3 GLU 25 2HB GLU 25 -3.576 -2.761 5.121
164 HG3 GLU 25 2HG GLU 25 -2.467 -4.238 6.321
165 H PHE 26 H PHE 26 -6.106 -3.345 1.880
166 HA PHE 26 HA PHE 26 -6.976 -0.720 2.933
167 HB3 PHE 26 2HB PHE 26 -7.391 -1.840 0.126
168 HD1 PHE 26 2HD PHE 26 -6.619 1.228 2.205
169 HD2 PHE 26 1HD PHE 26 -8.317 -0.339 -1.448
170 HE1 PHE 26 2HE PHE 26 -7.445 3.480 1.624
171 HE2 PHE 26 1HE PHE 26 -9.206 1.919 -1.984
172 HZ PHE 26 HZ PHE 26 -8.761 3.828 -0.454
173 H HIS 27 H HIS 27 -8.248 -3.894 2.807
174 HA HIS 27 HA HIS 27 -10.817 -3.111 1.866
175 HB3 HIS 27 2HB HIS 27 -11.007 -5.572 3.388
176 HD1 HIS 27 1HD HIS 27 -10.320 -6.900 0.265
177 HD2 HIS 27 2HD HIS 27 -13.057 -3.979 1.581
178 HE1 HIS 27 1HE HIS 27 -12.112 -6.684 -1.583
179 H CYS 28 H CYS 28 -9.794 -3.959 5.276
180 HA CYS 28 HA CYS 28 -12.202 -2.572 6.252
181 HB3 CYS 28 2HB CYS 28 -11.135 -3.004 8.495
182 HG CYS 28 HG CYS 28 -11.586 -5.546 6.417
183 H LYS 29 H LYS 29 -8.572 -2.153 6.700
184 HA LYS 29 HA LYS 29 -9.360 0.394 7.793
185 HB3 LYS 29 2HB LYS 29 -6.955 0.773 8.288
186 HG3 LYS 29 2HG LYS 29 -8.617 -0.687 9.742
187 HD3 LYS 29 2HD LYS 29 -7.405 -2.815 8.424
188 HE3 LYS 29 2HE LYS 29 -6.274 -2.893 11.222
189 HZ1 LYS 29 3HZ LYS 29 -5.085 -3.877 8.716
190 HZ2 LYS 29 1HZ LYS 29 -6.056 -4.827 9.663
191 HZ3 LYS 29 2HZ LYS 29 -4.640 -4.256 10.249
192 H LYS 30 H LYS 30 -8.266 2.420 7.189
193 HA LYS 30 HA LYS 30 -7.574 2.599 4.276
194 HB3 LYS 30 2HB LYS 30 -8.884 4.687 4.090
195 HG3 LYS 30 2HG LYS 30 -11.227 3.890 4.405
196 HD3 LYS 30 2HD LYS 30 -9.407 1.888 3.006
197 HE3 LYS 30 2HE LYS 30 -11.459 1.346 1.678
198 HZ1 LYS 30 3HZ LYS 30 -11.542 0.680 4.573
199 HZ2 LYS 30 1HZ LYS 30 -10.877 -0.190 3.364
200 HZ3 LYS 30 2HZ LYS 30 -12.495 -0.025 3.467
201 H TYR 31 H TYR 31 -7.221 3.966 7.582
202 HA TYR 31 HA TYR 31 -4.696 5.271 6.735
203 HB3 TYR 31 2HB TYR 31 -5.262 7.213 8.103
204 HD1 TYR 31 2HD TYR 31 -8.670 6.370 6.894
205 HD2 TYR 31 1HD TYR 31 -4.975 8.407 6.017
206 HE1 TYR 31 2HE TYR 31 -9.706 7.336 4.863
207 HE2 TYR 31 1HE TYR 31 -6.025 9.430 4.014
208 HH TYR 31 HH TYR 31 -8.597 9.914 3.352
209 H LEU 32 H LEU 32 -3.207 4.139 7.904
210 HA LEU 32 HA LEU 32 -3.837 2.816 10.422
211 HB3 LEU 32 2HB LEU 32 -1.504 2.230 10.370
212 HG LEU 32 HG LEU 32 -1.226 0.918 8.595
213 HD11 LEU 32 1HD1 LEU 32 -3.269 0.064 7.627
214 HD12 LEU 32 2HD1 LEU 32 -4.153 1.540 8.025
215 HD13 LEU 32 3HD1 LEU 32 -3.576 0.465 9.314
216 HD21 LEU 32 3HD2 LEU 32 -1.454 1.379 6.354
217 HD22 LEU 32 1HD2 LEU 32 -0.726 2.786 7.089
218 HD23 LEU 32 2HD2 LEU 32 -2.459 2.823 6.634
219 H SER 33 H SER 33 -3.674 3.745 12.421
220 HA SER 33 HA SER 33 -2.199 6.223 12.950
221 HB3 SER 33 2HB SER 33 -2.282 4.907 15.314
222 HG SER 33 HG SER 33 -4.676 5.960 14.215
223 H LEU 34 H LEU 34 -0.214 5.904 14.554
224 HA LEU 34 HA LEU 34 1.861 4.803 13.021
225 HB3 LEU 34 2HB LEU 34 3.126 4.956 15.250
226 HG LEU 34 HG LEU 34 2.334 7.003 13.453
227 HD11 LEU 34 1HD1 LEU 34 2.197 8.982 14.921
228 HD12 LEU 34 2HD1 LEU 34 2.118 7.935 16.331
229 HD13 LEU 34 3HD1 LEU 34 0.805 7.904 15.149
230 HD21 LEU 34 3HD2 LEU 34 4.404 8.115 14.252
231 HD22 LEU 34 1HD2 LEU 34 4.659 6.385 13.994
232 HD23 LEU 34 2HD2 LEU 34 4.464 7.011 15.632
233 H THR 35 H THR 35 0.157 3.398 15.806
234 HA THR 35 HA THR 35 1.905 1.192 16.067
235 HB THR 35 HB THR 35 -1.034 1.152 16.815
236 HG1 THR 35 1HG THR 35 1.067 2.361 18.318
237 HG21 THR 35 3HG2 THR 35 0.300 -0.889 17.275
238 HG22 THR 35 1HG2 THR 35 -0.228 -0.102 18.769
239 HG23 THR 35 2HG2 THR 35 1.454 0.066 18.219
240 H GLU 36 H GLU 36 -1.117 1.580 14.131
241 HA GLU 36 HA GLU 36 -1.122 -1.101 13.085
242 HB3 GLU 36 2HB GLU 36 -2.603 0.007 11.319
243 HG3 GLU 36 2HG GLU 36 -4.333 0.737 13.036
244 H ARG 37 H ARG 37 0.425 1.902 12.019
245 HA ARG 37 HA ARG 37 1.226 0.859 9.434
246 HB3 ARG 37 2HB ARG 37 2.479 3.094 11.095
247 HG3 ARG 37 2HG ARG 37 2.323 2.563 8.093
248 HD3 ARG 37 2HD ARG 37 1.814 4.905 8.434
249 HE ARG 37 HE ARG 37 3.872 4.764 10.536
250 HH11 ARG 37 1HH1 ARG 37 1.839 7.044 8.686
251 HH12 ARG 37 2HH1 ARG 37 2.352 8.388 9.652
252 HH21 ARG 37 1HH2 ARG 37 4.477 6.392 11.701
253 HH22 ARG 37 2HH2 ARG 37 3.819 8.009 11.548
254 H SER 38 H SER 38 2.735 1.082 12.615
255 HA SER 38 HA SER 38 5.205 -0.205 12.148
256 HB3 SER 38 2HB SER 38 3.389 0.016 14.583
257 HG SER 38 HG SER 38 5.144 -0.100 15.793
258 H GLN 39 H GLN 39 1.883 -1.540 12.875
259 HA GLN 39 HA GLN 39 2.720 -4.236 13.212
260 HB3 GLN 39 2HB GLN 39 0.395 -4.849 12.684
261 HG3 GLN 39 2HG GLN 39 -0.230 -2.484 14.310
262 HE21 GLN 39 1HE2 GLN 39 -2.316 -3.631 14.218
263 HE22 GLN 39 2HE2 GLN 39 -2.485 -5.055 15.236
264 H ILE 40 H ILE 40 1.284 -2.700 10.275
265 HA ILE 40 HA ILE 40 1.707 -4.899 8.580
266 HB ILE 40 HB ILE 40 1.603 -1.915 7.993
267 HG13 ILE 40 2HG1 ILE 40 -0.402 -2.927 9.150
268 HG21 ILE 40 1HG2 ILE 40 1.010 -2.533 5.647
269 HG22 ILE 40 2HG2 ILE 40 2.608 -3.140 6.050
270 HG23 ILE 40 3HG2 ILE 40 1.221 -4.247 6.043
271 HD11 ILE 40 3HD1 ILE 40 -0.669 -1.030 7.511
272 HD12 ILE 40 1HD1 ILE 40 -1.095 -2.250 6.289
273 HD13 ILE 40 2HD1 ILE 40 -2.100 -2.070 7.734
274 H ALA 41 H ALA 41 3.924 -2.185 9.352
275 HA ALA 41 HA ALA 41 5.954 -2.947 7.506
276 HB1 ALA 41 1HB ALA 41 6.157 -1.419 10.122
277 HB2 ALA 41 2HB ALA 41 7.431 -1.546 8.894
278 HB3 ALA 41 3HB ALA 41 5.906 -0.735 8.495
279 H HIS 42 H HIS 42 5.494 -3.833 10.975
280 HA HIS 42 HA HIS 42 7.848 -5.436 11.208
281 HB3 HIS 42 2HB HIS 42 6.430 -6.552 13.058
282 HD1 HIS 42 1HD HIS 42 6.913 -5.698 15.496
283 HD2 HIS 42 2HD HIS 42 7.391 -2.820 12.445
284 HE1 HIS 42 1HE HIS 42 8.149 -3.773 16.533
285 H ALA 43 H ALA 43 4.449 -6.275 10.342
286 HA ALA 43 HA ALA 43 4.800 -9.061 10.200
287 HB1 ALA 43 1HB ALA 43 2.610 -7.936 10.312
288 HB2 ALA 43 2HB ALA 43 2.852 -7.259 8.686
289 HB3 ALA 43 3HB ALA 43 2.692 -9.014 8.903
290 H LEU 44 H LEU 44 5.067 -6.592 7.640
291 HA LEU 44 HA LEU 44 5.701 -8.654 5.641
292 HB3 LEU 44 2HB LEU 44 5.566 -6.752 4.058
293 HG LEU 44 HG LEU 44 3.200 -6.784 5.984
294 HD11 LEU 44 1HD1 LEU 44 3.148 -4.905 4.422
295 HD12 LEU 44 2HD1 LEU 44 1.909 -6.083 4.005
296 HD13 LEU 44 3HD1 LEU 44 3.398 -6.003 3.039
297 HD21 LEU 44 3HD2 LEU 44 3.641 -9.089 5.220
298 HD22 LEU 44 1HD2 LEU 44 3.696 -8.528 3.519
299 HD23 LEU 44 2HD2 LEU 44 2.195 -8.432 4.479
300 H LYS 45 H LYS 45 7.594 -6.792 7.737
301 HA LYS 45 HA LYS 45 9.713 -6.166 7.876
302 HB3 LYS 45 2HB LYS 45 10.526 -7.726 5.413
303 HG3 LYS 45 2HG LYS 45 11.866 -6.965 8.048
304 HD3 LYS 45 2HD LYS 45 12.475 -9.268 7.275
305 HE3 LYS 45 2HE LYS 45 12.323 -8.666 4.779
306 HZ1 LYS 45 3HZ LYS 45 14.457 -7.941 3.851
307 HZ2 LYS 45 1HZ LYS 45 15.046 -7.641 5.335
308 HZ3 LYS 45 2HZ LYS 45 13.802 -6.739 4.736
309 H LEU 46 H LEU 46 7.693 -4.752 6.343
310 HA LEU 46 HA LEU 46 9.344 -3.135 4.499
311 HB3 LEU 46 2HB LEU 46 7.173 -1.696 4.480
312 HG LEU 46 HG LEU 46 7.017 -4.555 3.540
313 HD11 LEU 46 1HD1 LEU 46 5.293 -2.195 2.655
314 HD12 LEU 46 2HD1 LEU 46 4.771 -3.485 3.751
315 HD13 LEU 46 3HD1 LEU 46 5.188 -3.881 2.088
316 HD21 LEU 46 3HD2 LEU 46 8.844 -3.385 2.419
317 HD22 LEU 46 1HD2 LEU 46 7.785 -2.003 2.067
318 HD23 LEU 46 2HD2 LEU 46 7.501 -3.561 1.292
319 H SER 47 H SER 47 8.538 -0.702 5.237
320 HA SER 47 HA SER 47 9.074 -0.290 8.091
321 HB3 SER 47 2HB SER 47 10.573 1.655 7.566
322 HG SER 47 HG SER 47 11.819 -0.527 6.361
323 H GLU 48 H GLU 48 8.292 1.914 8.728
324 HA GLU 48 HA GLU 48 5.647 2.155 8.144
325 HB3 GLU 48 2HB GLU 48 5.855 4.573 8.880
326 HG3 GLU 48 2HG GLU 48 7.448 2.957 10.870
327 H VAL 49 H VAL 49 8.267 3.712 6.491
328 HA VAL 49 HA VAL 49 6.838 5.739 5.045
329 HB VAL 49 HB VAL 49 9.606 4.475 4.945
330 HG11 VAL 49 1HG1 VAL 49 9.116 5.145 2.620
331 HG12 VAL 49 2HG1 VAL 49 8.636 6.768 3.193
332 HG13 VAL 49 3HG1 VAL 49 10.321 6.169 3.361
333 HG21 VAL 49 3HG2 VAL 49 10.259 6.696 5.785
334 HG22 VAL 49 1HG2 VAL 49 8.576 7.262 5.695
335 HG23 VAL 49 2HG2 VAL 49 9.046 5.987 6.842
336 H GLN 50 H GLN 50 8.160 2.482 4.152
337 HA GLN 50 HA GLN 50 7.296 2.668 1.437
338 HB3 GLN 50 2HB GLN 50 7.610 0.194 1.475
339 HG3 GLN 50 2HG GLN 50 10.026 0.597 2.906
340 HE21 GLN 50 1HE2 GLN 50 9.340 2.085 -0.336
341 HE22 GLN 50 2HE2 GLN 50 10.181 0.828 -1.219
342 H VAL 51 H VAL 51 5.728 1.609 4.435
343 HA VAL 51 HA VAL 51 3.369 0.497 3.136
344 HB VAL 51 HB VAL 51 3.718 1.606 5.966
345 HG11 VAL 51 1HG1 VAL 51 1.582 -0.252 4.863
346 HG12 VAL 51 2HG1 VAL 51 1.754 0.257 6.548
347 HG13 VAL 51 3HG1 VAL 51 1.325 1.447 5.310
348 HG21 VAL 51 3HG2 VAL 51 3.900 -1.264 4.939
349 HG22 VAL 51 1HG2 VAL 51 5.252 -0.302 5.562
350 HG23 VAL 51 2HG2 VAL 51 3.942 -0.769 6.643
351 H LYS 52 H LYS 52 3.973 3.582 4.843
352 HA LYS 52 HA LYS 52 1.584 4.893 4.327
353 HB3 LYS 52 2HB LYS 52 4.436 5.850 4.733
354 HG3 LYS 52 2HG LYS 52 1.917 7.551 4.806
355 HD3 LYS 52 2HD LYS 52 4.611 7.768 6.188
356 HE3 LYS 52 2HE LYS 52 3.036 10.054 4.955
357 HZ1 LYS 52 3HZ LYS 52 4.776 10.017 7.307
358 HZ2 LYS 52 1HZ LYS 52 3.648 11.128 6.828
359 HZ3 LYS 52 2HZ LYS 52 5.114 11.156 6.158
360 H ILE 53 H ILE 53 4.526 5.038 2.269
361 HA ILE 53 HA ILE 53 3.461 6.923 0.389
362 HB ILE 53 HB ILE 53 5.727 4.864 0.355
363 HG13 ILE 53 2HG1 ILE 53 5.991 6.774 1.911
364 HG21 ILE 53 1HG2 ILE 53 5.188 6.930 -1.792
365 HG22 ILE 53 2HG2 ILE 53 6.595 5.865 -1.699
366 HG23 ILE 53 3HG2 ILE 53 5.010 5.181 -1.998
367 HD11 ILE 53 3HD1 ILE 53 8.042 7.781 1.176
368 HD12 ILE 53 1HD1 ILE 53 8.060 6.082 0.646
369 HD13 ILE 53 2HD1 ILE 53 7.714 7.389 -0.507
370 H TRP 54 H TRP 54 3.485 3.294 0.392
371 HA TRP 54 HA TRP 54 2.289 3.111 -2.209
372 HB3 TRP 54 2HB TRP 54 1.990 1.112 0.051
373 HD1 TRP 54 HD TRP 54 3.291 0.105 -3.338
374 HE1 TRP 54 1HE TRP 54 1.537 -1.326 -4.543
375 HE3 TRP 54 3HE TRP 54 -0.658 0.831 -0.167
376 HZ2 TRP 54 2HZ TRP 54 -1.240 -2.198 -4.071
377 HZ3 TRP 54 3HZ TRP 54 -2.797 -0.252 -0.589
378 HH2 TRP 54 HH TRP 54 -3.096 -1.808 -2.495
379 H PHE 55 H PHE 55 0.893 3.059 1.109
380 HA PHE 55 HA PHE 55 -1.833 2.835 0.355
381 HB3 PHE 55 2HB PHE 55 -2.161 4.218 2.561
382 HD1 PHE 55 2HD PHE 55 0.223 1.255 2.244
383 HD2 PHE 55 1HD PHE 55 -3.534 2.764 3.757
384 HE1 PHE 55 2HE PHE 55 -0.167 -0.872 3.428
385 HE2 PHE 55 1HE PHE 55 -3.933 0.537 4.867
386 HZ PHE 55 HZ PHE 55 -2.216 -1.213 4.721
387 H GLN 56 H GLN 56 0.105 5.818 0.958
388 HA GLN 56 HA GLN 56 -1.737 7.789 0.346
389 HB3 GLN 56 2HB GLN 56 0.511 8.865 -0.698
390 HG3 GLN 56 2HG GLN 56 0.840 8.368 2.244
391 HE21 GLN 56 1HE2 GLN 56 2.839 9.451 0.443
392 HE22 GLN 56 2HE2 GLN 56 2.874 11.144 0.702
393 H ASN 57 H ASN 57 0.218 5.904 -2.044
394 HA ASN 57 HA ASN 57 -0.654 7.471 -4.296
395 HB3 ASN 57 2HB ASN 57 -0.020 4.947 -5.301
396 HD21 ASN 57 1HD2 ASN 57 3.005 5.482 -4.445
397 HD22 ASN 57 2HD2 ASN 57 3.436 6.762 -5.547
398 H ARG 58 H ARG 58 -1.653 4.292 -3.015
399 HA ARG 58 HA ARG 58 -3.700 3.788 -4.945
400 HB3 ARG 58 2HB ARG 58 -4.343 2.507 -2.450
401 HG3 ARG 58 2HG ARG 58 -2.704 0.726 -3.722
402 HD3 ARG 58 2HD ARG 58 -5.507 1.309 -4.724
403 HE ARG 58 HE ARG 58 -3.838 -0.779 -5.389
404 HH11 ARG 58 1HH1 ARG 58 -7.105 -0.419 -4.048
405 HH12 ARG 58 2HH1 ARG 58 -7.539 -2.074 -4.229
406 HH21 ARG 58 1HH2 ARG 58 -4.482 -3.015 -5.836
407 HH22 ARG 58 2HH2 ARG 58 -6.154 -3.381 -5.625
408 H ARG 59 H ARG 59 -3.832 5.320 -1.718
409 HA ARG 59 HA ARG 59 -6.628 5.678 -1.673
410 HB3 ARG 59 2HB ARG 59 -5.142 7.817 -0.298
411 HG3 ARG 59 2HG ARG 59 -6.946 5.512 0.493
412 HD3 ARG 59 2HD ARG 59 -5.186 5.262 2.092
413 HE ARG 59 HE ARG 59 -4.959 8.146 1.922
414 HH11 ARG 59 1HH1 ARG 59 -4.453 5.517 4.220
415 HH12 ARG 59 2HH1 ARG 59 -3.079 6.236 5.000
416 HH21 ARG 59 1HH2 ARG 59 -3.336 9.179 2.917
417 HH22 ARG 59 2HH2 ARG 59 -2.511 8.570 4.315
418 H ALA 60 H ALA 60 -4.096 7.699 -3.253
419 HA ALA 60 HA ALA 60 -5.859 9.863 -3.899
420 HB1 ALA 60 1HB ALA 60 -3.382 9.972 -4.149
421 HB2 ALA 60 2HB ALA 60 -3.486 8.859 -5.527
422 HB3 ALA 60 3HB ALA 60 -4.264 10.443 -5.617
423 H LYS 61 H LYS 61 -4.923 6.948 -5.836
424 HA LYS 61 HA LYS 61 -6.749 7.400 -7.939
425 HB3 LYS 61 2HB LYS 61 -5.877 4.667 -6.926
426 HG3 LYS 61 2HG LYS 61 -6.484 5.696 -9.742
427 HD3 LYS 61 2HD LYS 61 -5.858 2.897 -8.737
428 HE3 LYS 61 2HE LYS 61 -7.372 3.239 -10.880
429 HZ1 LYS 61 3HZ LYS 61 -5.906 3.160 -12.868
430 HZ2 LYS 61 1HZ LYS 61 -4.640 3.592 -11.984
431 HZ3 LYS 61 2HZ LYS 61 -5.894 4.652 -12.173
432 H TRP 62 H TRP 62 -7.305 5.735 -4.808
433 HA TRP 62 HA TRP 62 -9.949 4.844 -5.304
434 HB3 TRP 62 2HB TRP 62 -8.411 5.575 -2.825
435 HD1 TRP 62 HD TRP 62 -11.537 3.294 -3.289
436 HE1 TRP 62 1HE TRP 62 -13.140 3.739 -1.368
437 HE3 TRP 62 3HE TRP 62 -8.980 7.081 -0.960
438 HZ2 TRP 62 2HZ TRP 62 -13.224 5.386 1.012
439 HZ3 TRP 62 3HZ TRP 62 -9.831 8.037 1.163
440 HH2 TRP 62 HH TRP 62 -11.938 7.190 2.170
441 H LYS 63 H LYS 63 -8.813 8.103 -4.164
442 HA LYS 63 HA LYS 63 -11.420 9.032 -3.540
443 HB3 LYS 63 2HB LYS 63 -10.564 11.326 -4.005
444 HG3 LYS 63 2HG LYS 63 -8.375 10.218 -2.375
445 HD3 LYS 63 2HD LYS 63 -10.757 12.001 -1.713
446 HE3 LYS 63 2HE LYS 63 -8.155 11.693 -0.173
447 HZ1 LYS 63 3HZ LYS 63 -10.681 13.065 0.579
448 HZ2 LYS 63 1HZ LYS 63 -9.359 13.827 -0.011
449 HZ3 LYS 63 2HZ LYS 63 -9.288 13.074 1.423
450 H ARG 64 H ARG 64 -9.889 8.523 -6.612
451 HA ARG 64 HA ARG 64 -11.861 10.029 -8.139
452 HB3 ARG 64 2HB ARG 64 -10.479 9.499 -10.013
453 HG3 ARG 64 2HG ARG 64 -8.797 10.251 -7.607
454 HD3 ARG 64 2HD ARG 64 -7.318 9.143 -9.274
455 HE ARG 64 HE ARG 64 -8.622 10.009 -11.309
456 HH11 ARG 64 1HH1 ARG 64 -5.731 11.880 -10.158
457 HH12 ARG 64 2HH1 ARG 64 -5.662 12.723 -11.669
458 HH21 ARG 64 1HH2 ARG 64 -8.386 11.128 -13.174
459 HH22 ARG 64 2HH2 ARG 64 -7.134 12.311 -13.392
460 H ILE 65 H ILE 65 -12.161 7.207 -6.528
461 HA ILE 65 HA ILE 65 -13.868 5.969 -8.600
462 HB ILE 65 HB ILE 65 -12.423 4.577 -6.310
463 HG13 ILE 65 2HG1 ILE 65 -10.912 5.441 -8.125
464 HG21 ILE 65 1HG2 ILE 65 -13.144 2.482 -7.446
465 HG22 ILE 65 2HG2 ILE 65 -14.531 3.439 -6.971
466 HG23 ILE 65 3HG2 ILE 65 -14.009 3.435 -8.664
467 HD11 ILE 65 3HD1 ILE 65 -10.977 2.446 -8.243
468 HD12 ILE 65 1HD1 ILE 65 -9.594 3.538 -8.382
469 HD13 ILE 65 2HD1 ILE 65 -10.398 3.342 -6.821
470 H LYS 66 H LYS 66 -13.433 6.425 -5.073
471 HA LYS 66 HA LYS 66 -15.814 5.402 -4.134
472 HB3 LYS 66 2HB LYS 66 -13.849 6.362 -2.830
473 HG3 LYS 66 2HG LYS 66 -15.491 8.938 -2.785
474 HD3 LYS 66 2HD LYS 66 -12.633 8.298 -2.132
475 HE3 LYS 66 2HE LYS 66 -12.230 10.486 -1.512
476 HZ1 LYS 66 3HZ LYS 66 -13.105 12.066 -2.975
477 HZ2 LYS 66 1HZ LYS 66 -14.532 11.382 -3.073
478 HZ3 LYS 66 2HZ LYS 66 -13.259 10.700 -3.911
479 H ALA 67 H ALA 67 -15.371 8.469 -5.647
480 HA ALA 67 HA ALA 67 -18.254 9.043 -5.772
481 HB1 ALA 67 1HB ALA 67 -16.068 10.963 -4.815
482 HB2 ALA 67 2HB ALA 67 -17.743 11.418 -5.140
483 HB3 ALA 67 3HB ALA 67 -17.390 10.302 -3.820
484 H GLY 68 H GLY 68 -15.584 8.341 -7.396
485 HA2 GLY 68 1HA GLY 68 -15.770 10.478 -9.490
486 HA3 GLY 68 2HA GLY 68 -14.446 9.356 -9.292
487 H ASN 69 H ASN 69 -17.437 7.652 -9.009
488 HA ASN 69 HA ASN 69 -16.765 6.301 -11.498
489 HB3 ASN 69 2HB ASN 69 -19.022 5.414 -9.776
490 HD21 ASN 69 1HD2 ASN 69 -19.552 3.676 -11.148
491 HD22 ASN 69 2HD2 ASN 69 -18.410 2.503 -11.731
492 H VAL 70 H VAL 70 -18.244 8.992 -11.478
493 HA VAL 70 HA VAL 70 -19.954 10.063 -12.488
494 HB VAL 70 HB VAL 70 -19.839 7.774 -14.477
495 HG11 VAL 70 1HG1 VAL 70 -20.639 10.706 -14.827
496 HG12 VAL 70 2HG1 VAL 70 -20.466 9.511 -16.134
497 HG13 VAL 70 3HG1 VAL 70 -21.733 9.307 -14.932
498 HG21 VAL 70 3HG2 VAL 70 -17.569 8.633 -14.121
499 HG22 VAL 70 1HG2 VAL 70 -18.194 9.201 -15.667
500 HG23 VAL 70 2HG2 VAL 70 -18.156 10.313 -14.280
501 H SER 71 H SER 71 -20.816 9.214 -10.389
502 HA SER 71 HA SER 71 -22.646 8.949 -9.121
503 HB3 SER 71 2HB SER 71 -24.756 8.096 -9.796
504 HG SER 71 HG SER 71 -24.090 10.326 -10.270
Start of MODEL 4
1 H1 SER 1 H SER 1 17.326 -20.805 -11.045
2 HA SER 1 HA SER 1 17.563 -20.476 -13.499
3 HB3 SER 1 2HB SER 1 18.910 -22.123 -14.298
4 HG SER 1 HG SER 1 18.616 -24.379 -13.639
5 H ALA 2 H ALA 2 15.578 -19.563 -13.446
6 HA ALA 2 HA ALA 2 13.351 -21.281 -14.145
7 HB1 ALA 2 1HB ALA 2 13.183 -19.541 -11.644
8 HB2 ALA 2 2HB ALA 2 11.811 -20.304 -12.471
9 HB3 ALA 2 3HB ALA 2 13.062 -21.317 -11.722
10 HA PRO 3 HA PRO 3 13.885 -17.175 -16.214
11 HB3 PRO 3 2HB PRO 3 14.802 -18.032 -18.117
12 HG3 PRO 3 2HG PRO 3 14.542 -20.300 -18.637
13 HD3 PRO 3 2HD PRO 3 14.878 -20.625 -16.353
14 H GLY 4 H GLY 4 11.098 -19.363 -17.202
15 HA2 GLY 4 1HA GLY 4 9.248 -17.092 -17.005
16 HA3 GLY 4 2HA GLY 4 8.941 -18.719 -17.625
17 H GLY 5 H GLY 5 9.602 -16.925 -14.582
18 HA2 GLY 5 1HA GLY 5 8.054 -18.994 -13.055
19 HA3 GLY 5 2HA GLY 5 9.245 -17.910 -12.366
20 H LYS 6 H LYS 6 8.598 -15.962 -11.668
21 HA LYS 6 HA LYS 6 5.845 -14.987 -12.183
22 HB3 LYS 6 2HB LYS 6 7.026 -15.199 -9.378
23 HG3 LYS 6 2HG LYS 6 4.215 -15.012 -10.521
24 HD3 LYS 6 2HD LYS 6 4.917 -15.568 -7.611
25 HE3 LYS 6 2HE LYS 6 2.377 -15.184 -9.211
26 HZ1 LYS 6 3HZ LYS 6 2.475 -16.662 -6.660
27 HZ2 LYS 6 1HZ LYS 6 2.169 -17.333 -8.154
28 HZ3 LYS 6 2HZ LYS 6 1.133 -16.247 -7.499
29 H SER 7 H SER 7 5.940 -12.827 -12.562
30 HA SER 7 HA SER 7 8.322 -12.153 -13.593
31 HB3 SER 7 2HB SER 7 6.251 -9.999 -13.001
32 HG SER 7 HG SER 7 6.756 -9.652 -15.333
33 H ARG 8 H ARG 8 7.041 -10.776 -10.593
34 HA ARG 8 HA ARG 8 8.013 -9.631 -8.881
35 HB3 ARG 8 2HB ARG 8 10.233 -11.646 -9.396
36 HG3 ARG 8 2HG ARG 8 8.887 -10.695 -6.833
37 HD3 ARG 8 2HD ARG 8 11.449 -12.278 -7.228
38 HE ARG 8 HE ARG 8 11.589 -11.406 -5.096
39 HH11 ARG 8 1HH1 ARG 8 8.454 -13.151 -5.428
40 HH12 ARG 8 2HH1 ARG 8 8.004 -12.778 -3.788
41 HH21 ARG 8 1HH2 ARG 8 10.587 -10.663 -3.062
42 HH22 ARG 8 2HH2 ARG 8 9.193 -11.516 -2.483
43 H ARG 9 H ARG 9 8.262 -7.704 -10.399
44 HA ARG 9 HA ARG 9 10.620 -7.002 -11.727
45 HB3 ARG 9 2HB ARG 9 8.687 -5.211 -10.183
46 HG3 ARG 9 2HG ARG 9 10.684 -4.542 -12.374
47 HD3 ARG 9 2HD ARG 9 9.570 -2.235 -12.090
48 HE ARG 9 HE ARG 9 8.677 -4.427 -13.772
49 HH11 ARG 9 1HH1 ARG 9 7.890 -1.059 -12.947
50 HH12 ARG 9 2HH1 ARG 9 7.565 -0.588 -14.592
51 HH21 ARG 9 1HH2 ARG 9 8.329 -3.805 -15.953
52 HH22 ARG 9 2HH2 ARG 9 7.765 -2.216 -16.328
53 H ARG 10 H ARG 10 9.869 -6.588 -8.319
54 HA ARG 10 HA ARG 10 11.110 -6.035 -6.485
55 HB3 ARG 10 2HB ARG 10 13.402 -7.440 -7.831
56 HG3 ARG 10 2HG ARG 10 12.401 -8.238 -5.139
57 HD3 ARG 10 2HD ARG 10 14.579 -8.973 -6.238
58 HE ARG 10 HE ARG 10 15.048 -6.196 -6.393
59 HH11 ARG 10 1HH1 ARG 10 16.762 -9.170 -5.472
60 HH12 ARG 10 2HH1 ARG 10 18.349 -8.456 -5.740
61 HH21 ARG 10 1HH2 ARG 10 17.217 -5.330 -6.783
62 HH22 ARG 10 2HH2 ARG 10 18.577 -6.366 -6.413
63 H ARG 11 H ARG 11 11.135 -3.909 -8.457
64 HA ARG 11 HA ARG 11 13.695 -2.577 -7.738
65 HB3 ARG 11 2HB ARG 11 12.512 -1.447 -10.127
66 HG3 ARG 11 2HG ARG 11 14.991 -3.104 -10.322
67 HD3 ARG 11 2HD ARG 11 14.107 -1.363 -12.056
68 HE ARG 11 HE ARG 11 15.619 0.512 -10.348
69 HH11 ARG 11 1HH1 ARG 11 12.400 -0.079 -11.851
70 HH12 ARG 11 2HH1 ARG 11 11.853 1.546 -11.537
71 HH21 ARG 11 1HH2 ARG 11 14.980 2.657 -10.310
72 HH22 ARG 11 2HH2 ARG 11 13.411 3.173 -10.777
73 H THR 12 H THR 12 13.335 -0.116 -8.145
74 HA THR 12 HA THR 12 12.689 1.713 -7.223
75 HB THR 12 HB THR 12 11.029 1.479 -9.073
76 HG1 THR 12 1HG THR 12 10.181 3.402 -8.528
77 HG21 THR 12 3HG2 THR 12 9.003 1.166 -6.816
78 HG22 THR 12 1HG2 THR 12 9.327 -0.004 -8.124
79 HG23 THR 12 2HG2 THR 12 8.645 1.574 -8.497
80 H ALA 13 H ALA 13 10.758 2.669 -5.673
81 HA ALA 13 HA ALA 13 11.674 2.042 -3.100
82 HB1 ALA 13 1HB ALA 13 9.662 3.440 -2.400
83 HB2 ALA 13 2HB ALA 13 10.714 4.200 -3.606
84 HB3 ALA 13 3HB ALA 13 9.187 3.473 -4.113
85 H PHE 14 H PHE 14 9.033 0.495 -4.870
86 HA PHE 14 HA PHE 14 8.405 -1.199 -2.546
87 HB3 PHE 14 2HB PHE 14 6.029 -1.018 -2.976
88 HD1 PHE 14 1HD PHE 14 7.257 2.388 -3.844
89 HD2 PHE 14 2HD PHE 14 5.600 -0.109 -0.766
90 HE1 PHE 14 1HE PHE 14 6.910 4.406 -2.410
91 HE2 PHE 14 2HE PHE 14 5.187 1.904 0.626
92 HZ PHE 14 HZ PHE 14 5.858 4.147 -0.171
93 H THR 15 H THR 15 8.330 -3.290 -3.268
94 HA THR 15 HA THR 15 9.101 -3.724 -6.037
95 HB THR 15 HB THR 15 9.288 -6.089 -5.303
96 HG1 THR 15 1HG THR 15 9.141 -6.084 -2.801
97 HG21 THR 15 3HG2 THR 15 11.201 -5.742 -3.886
98 HG22 THR 15 1HG2 THR 15 10.586 -4.181 -3.298
99 HG23 THR 15 2HG2 THR 15 11.122 -4.347 -4.974
100 H SER 16 H SER 16 7.881 -5.568 -7.349
101 HA SER 16 HA SER 16 5.164 -5.220 -7.724
102 HB3 SER 16 2HB SER 16 5.146 -7.580 -8.512
103 HG SER 16 HG SER 16 5.972 -6.296 -9.993
104 H GLU 17 H GLU 17 6.763 -7.396 -5.356
105 HA GLU 17 HA GLU 17 4.398 -8.617 -4.443
106 HB3 GLU 17 2HB GLU 17 7.104 -8.266 -3.089
107 HG3 GLU 17 2HG GLU 17 5.113 -10.563 -3.075
108 H GLN 18 H GLN 18 6.404 -5.911 -3.111
109 HA GLN 18 HA GLN 18 4.794 -5.527 -0.777
110 HB3 GLN 18 2HB GLN 18 5.893 -3.200 -0.832
111 HG3 GLN 18 2HG GLN 18 7.465 -5.800 -0.798
112 HE21 GLN 18 1HE2 GLN 18 8.998 -4.778 1.490
113 HE22 GLN 18 2HE2 GLN 18 10.297 -3.839 0.813
114 H LEU 19 H LEU 19 4.668 -4.095 -4.071
115 HA LEU 19 HA LEU 19 2.604 -2.190 -3.405
116 HB3 LEU 19 2HB LEU 19 2.209 -2.300 -5.973
117 HG LEU 19 HG LEU 19 5.006 -1.676 -4.955
118 HD11 LEU 19 1HD1 LEU 19 3.686 -0.893 -7.580
119 HD12 LEU 19 2HD1 LEU 19 4.950 -2.126 -7.364
120 HD13 LEU 19 3HD1 LEU 19 5.310 -0.421 -7.005
121 HD21 LEU 19 3HD2 LEU 19 2.542 0.061 -5.419
122 HD22 LEU 19 1HD2 LEU 19 4.175 0.715 -5.154
123 HD23 LEU 19 2HD2 LEU 19 3.392 -0.220 -3.883
124 H LEU 20 H LEU 20 2.580 -5.537 -4.646
125 HA LEU 20 HA LEU 20 -0.208 -5.531 -5.239
126 HB3 LEU 20 2HB LEU 20 1.704 -7.850 -4.778
127 HG LEU 20 HG LEU 20 0.278 -8.935 -6.555
128 HD11 LEU 20 1HD1 LEU 20 0.279 -9.690 -4.249
129 HD12 LEU 20 2HD1 LEU 20 -1.334 -9.885 -5.003
130 HD13 LEU 20 3HD1 LEU 20 -1.040 -8.591 -3.845
131 HD21 LEU 20 3HD2 LEU 20 -2.038 -8.338 -6.862
132 HD22 LEU 20 1HD2 LEU 20 -1.023 -6.927 -7.258
133 HD23 LEU 20 2HD2 LEU 20 -1.901 -6.997 -5.717
134 H GLU 21 H GLU 21 1.694 -6.729 -2.410
135 HA GLU 21 HA GLU 21 -0.591 -7.586 -0.895
136 HB3 GLU 21 2HB GLU 21 1.055 -7.318 1.044
137 HG3 GLU 21 2HG GLU 21 2.885 -8.906 -0.086
138 H LEU 22 H LEU 22 0.687 -4.381 -1.559
139 HA LEU 22 HA LEU 22 -0.660 -3.073 0.705
140 HB3 LEU 22 2HB LEU 22 -0.084 -1.115 -1.159
141 HG LEU 22 HG LEU 22 0.771 -0.637 0.919
142 HD11 LEU 22 1HD1 LEU 22 2.453 -3.157 0.880
143 HD12 LEU 22 2HD1 LEU 22 1.082 -2.838 1.950
144 HD13 LEU 22 3HD1 LEU 22 2.556 -1.876 2.113
145 HD21 LEU 22 3HD2 LEU 22 3.266 -1.374 -0.651
146 HD22 LEU 22 1HD2 LEU 22 3.036 0.007 0.462
147 HD23 LEU 22 2HD2 LEU 22 2.208 -0.034 -1.096
148 H GLU 23 H GLU 23 -1.278 -3.340 -2.900
149 HA GLU 23 HA GLU 23 -3.646 -1.754 -2.652
150 HB3 GLU 23 2HB GLU 23 -2.492 -1.914 -4.762
151 HG3 GLU 23 2HG GLU 23 -2.962 -4.882 -4.444
152 H LYS 24 H LYS 24 -3.051 -5.101 -2.038
153 HA LYS 24 HA LYS 24 -5.804 -6.024 -1.934
154 HB3 LYS 24 2HB LYS 24 -4.445 -7.280 0.178
155 HG3 LYS 24 2HG LYS 24 -5.702 -8.347 -1.780
156 HD3 LYS 24 2HD LYS 24 -3.821 -9.411 -3.342
157 HE3 LYS 24 2HE LYS 24 -4.066 -7.483 -5.013
158 HZ1 LYS 24 3HZ LYS 24 -6.467 -7.902 -5.241
159 HZ2 LYS 24 1HZ LYS 24 -6.475 -8.731 -3.840
160 HZ3 LYS 24 2HZ LYS 24 -5.542 -9.274 -5.125
161 H GLU 25 H GLU 25 -3.969 -3.881 0.207
162 HA GLU 25 HA GLU 25 -5.562 -4.331 2.497
163 HB3 GLU 25 2HB GLU 25 -3.288 -3.007 2.108
164 HG3 GLU 25 2HG GLU 25 -4.560 -0.955 1.075
165 H PHE 26 H PHE 26 -6.156 -2.343 -0.356
166 HA PHE 26 HA PHE 26 -7.973 -0.609 1.100
167 HB3 PHE 26 2HB PHE 26 -7.691 -0.557 -1.906
168 HD1 PHE 26 1HD PHE 26 -6.637 1.725 0.846
169 HD2 PHE 26 2HD PHE 26 -9.481 1.012 -2.295
170 HE1 PHE 26 1HE PHE 26 -7.495 4.022 1.126
171 HE2 PHE 26 2HE PHE 26 -10.315 3.360 -2.070
172 HZ PHE 26 HZ PHE 26 -9.316 4.861 -0.350
173 H HIS 27 H HIS 27 -8.452 -3.637 0.071
174 HA HIS 27 HA HIS 27 -10.767 -3.639 -1.553
175 HB3 HIS 27 2HB HIS 27 -10.498 -5.975 0.235
176 HD1 HIS 27 1HD HIS 27 -11.834 -7.563 -1.422
177 HD2 HIS 27 2HD HIS 27 -8.855 -5.198 -3.227
178 HE1 HIS 27 1HE HIS 27 -11.714 -8.298 -3.853
179 H CYS 28 H CYS 28 -10.404 -3.890 2.013
180 HA CYS 28 HA CYS 28 -13.276 -3.121 2.362
181 HB3 CYS 28 2HB CYS 28 -13.280 -4.519 4.394
182 HG CYS 28 HG CYS 28 -14.368 -5.708 2.420
183 H LYS 29 H LYS 29 -10.031 -3.182 3.882
184 HA LYS 29 HA LYS 29 -10.580 -1.068 5.761
185 HB3 LYS 29 2HB LYS 29 -8.048 -1.054 5.966
186 HG3 LYS 29 2HG LYS 29 -7.845 -3.635 6.451
187 HD3 LYS 29 2HD LYS 29 -9.853 -1.877 7.911
188 HE3 LYS 29 2HE LYS 29 -8.370 -4.417 8.708
189 HZ1 LYS 29 3HZ LYS 29 -9.455 -4.031 10.839
190 HZ2 LYS 29 1HZ LYS 29 -9.929 -2.533 10.360
191 HZ3 LYS 29 2HZ LYS 29 -8.338 -2.889 10.507
192 H LYS 30 H LYS 30 -9.712 1.053 5.685
193 HA LYS 30 HA LYS 30 -8.851 2.145 3.058
194 HB3 LYS 30 2HB LYS 30 -10.414 4.098 3.500
195 HG3 LYS 30 2HG LYS 30 -12.603 3.037 3.124
196 HD3 LYS 30 2HD LYS 30 -10.457 1.772 1.379
197 HE3 LYS 30 2HE LYS 30 -13.064 2.684 0.256
198 HZ1 LYS 30 3HZ LYS 30 -11.590 0.109 0.014
199 HZ2 LYS 30 1HZ LYS 30 -11.495 1.359 -1.030
200 HZ3 LYS 30 2HZ LYS 30 -12.906 0.562 -0.857
201 H TYR 31 H TYR 31 -7.756 1.604 6.089
202 HA TYR 31 HA TYR 31 -5.930 3.734 6.332
203 HB3 TYR 31 2HB TYR 31 -7.795 5.143 7.046
204 HD1 TYR 31 2HD TYR 31 -10.004 4.110 6.594
205 HD2 TYR 31 1HD TYR 31 -7.871 3.310 10.270
206 HE1 TYR 31 2HE TYR 31 -11.997 2.989 7.490
207 HE2 TYR 31 1HE TYR 31 -9.900 2.270 11.204
208 HH TYR 31 HH TYR 31 -12.323 1.085 9.299
209 H LEU 32 H LEU 32 -4.919 3.506 8.701
210 HA LEU 32 HA LEU 32 -5.235 0.796 9.868
211 HB3 LEU 32 2HB LEU 32 -2.773 0.565 9.982
212 HG LEU 32 HG LEU 32 -3.413 1.114 7.071
213 HD11 LEU 32 1HD1 LEU 32 -0.989 0.995 7.707
214 HD12 LEU 32 2HD1 LEU 32 -1.475 -0.331 6.646
215 HD13 LEU 32 3HD1 LEU 32 -1.294 -0.636 8.360
216 HD21 LEU 32 3HD2 LEU 32 -4.929 -0.693 8.069
217 HD22 LEU 32 1HD2 LEU 32 -3.459 -1.616 8.405
218 HD23 LEU 32 2HD2 LEU 32 -3.860 -1.203 6.750
219 H SER 33 H SER 33 -4.715 0.651 11.973
220 HA SER 33 HA SER 33 -4.471 3.033 13.566
221 HB3 SER 33 2HB SER 33 -5.832 1.054 14.083
222 HG SER 33 HG SER 33 -5.018 -0.799 14.620
223 H LEU 34 H LEU 34 -2.749 2.861 15.387
224 HA LEU 34 HA LEU 34 -0.044 3.003 14.573
225 HB3 LEU 34 2HB LEU 34 0.230 2.260 17.131
226 HG LEU 34 HG LEU 34 -0.956 4.816 16.075
227 HD11 LEU 34 1HD1 LEU 34 -2.323 4.432 18.071
228 HD12 LEU 34 2HD1 LEU 34 -1.196 5.772 18.330
229 HD13 LEU 34 3HD1 LEU 34 -0.869 4.162 19.042
230 HD21 LEU 34 3HD2 LEU 34 1.490 4.511 16.113
231 HD22 LEU 34 1HD2 LEU 34 1.432 4.152 17.848
232 HD23 LEU 34 2HD2 LEU 34 1.029 5.770 17.290
233 H THR 35 H THR 35 -1.864 0.282 15.933
234 HA THR 35 HA THR 35 0.203 -1.654 15.921
235 HB THR 35 HB THR 35 -2.816 -2.036 15.749
236 HG1 THR 35 1HG THR 35 -1.181 -1.705 18.056
237 HG21 THR 35 3HG2 THR 35 -2.426 -4.089 17.025
238 HG22 THR 35 1HG2 THR 35 -0.673 -3.799 17.002
239 HG23 THR 35 2HG2 THR 35 -1.543 -4.147 15.493
240 H GLU 36 H GLU 36 -2.601 -1.245 13.665
241 HA GLU 36 HA GLU 36 -1.887 -3.366 11.977
242 HB3 GLU 36 2HB GLU 36 -3.433 -2.243 10.379
243 HG3 GLU 36 2HG GLU 36 -4.431 -2.456 13.235
244 H ARG 37 H ARG 37 -0.892 0.058 11.854
245 HA ARG 37 HA ARG 37 0.457 -0.061 9.327
246 HB3 ARG 37 2HB ARG 37 0.951 1.678 11.764
247 HG3 ARG 37 2HG ARG 37 1.712 2.030 8.833
248 HD3 ARG 37 2HD ARG 37 0.779 4.115 9.746
249 HE ARG 37 HE ARG 37 2.642 3.540 11.991
250 HH11 ARG 37 1HH1 ARG 37 -0.113 5.501 10.918
251 HH12 ARG 37 2HH1 ARG 37 0.001 6.584 12.264
252 HH21 ARG 37 1HH2 ARG 37 2.700 4.941 13.813
253 HH22 ARG 37 2HH2 ARG 37 1.481 6.144 13.970
254 H SER 38 H SER 38 1.616 -0.922 12.619
255 HA SER 38 HA SER 38 4.336 -1.400 11.683
256 HB3 SER 38 2HB SER 38 2.956 -2.545 14.156
257 HG SER 38 HG SER 38 5.646 -1.993 13.403
258 H GLN 39 H GLN 39 1.340 -3.388 11.966
259 HA GLN 39 HA GLN 39 2.536 -5.910 11.591
260 HB3 GLN 39 2HB GLN 39 0.336 -6.650 10.690
261 HG3 GLN 39 2HG GLN 39 0.122 -4.914 13.178
262 HE21 GLN 39 1HE2 GLN 39 -1.140 -7.600 14.219
263 HE22 GLN 39 2HE2 GLN 39 -2.766 -7.520 13.521
264 H ILE 40 H ILE 40 0.888 -3.953 9.073
265 HA ILE 40 HA ILE 40 1.774 -5.511 6.862
266 HB ILE 40 HB ILE 40 0.669 -2.709 7.202
267 HG13 ILE 40 2HG1 ILE 40 -0.596 -5.145 7.334
268 HG21 ILE 40 1HG2 ILE 40 1.257 -4.017 4.525
269 HG22 ILE 40 2HG2 ILE 40 0.243 -2.584 4.751
270 HG23 ILE 40 3HG2 ILE 40 1.971 -2.516 5.145
271 HD11 ILE 40 3HD1 ILE 40 -1.838 -2.673 6.068
272 HD12 ILE 40 1HD1 ILE 40 -2.692 -4.032 6.817
273 HD13 ILE 40 2HD1 ILE 40 -1.675 -2.993 7.817
274 H ALA 41 H ALA 41 3.295 -2.712 8.519
275 HA ALA 41 HA ALA 41 5.342 -2.321 6.601
276 HB1 ALA 41 1HB ALA 41 5.535 -1.865 9.612
277 HB2 ALA 41 2HB ALA 41 6.560 -1.162 8.347
278 HB3 ALA 41 3HB ALA 41 4.871 -0.699 8.449
279 H HIS 42 H HIS 42 5.459 -4.213 9.676
280 HA HIS 42 HA HIS 42 8.142 -5.024 9.227
281 HB3 HIS 42 2HB HIS 42 7.515 -6.780 11.029
282 HD1 HIS 42 1HD HIS 42 7.125 -5.678 13.706
283 HD2 HIS 42 2HD HIS 42 8.436 -3.247 10.531
284 HE1 HIS 42 1HE HIS 42 8.410 -3.719 14.766
285 H ALA 43 H ALA 43 5.061 -6.721 8.500
286 HA ALA 43 HA ALA 43 6.213 -9.207 7.807
287 HB1 ALA 43 1HB ALA 43 3.731 -7.833 6.673
288 HB2 ALA 43 2HB ALA 43 4.121 -9.564 6.551
289 HB3 ALA 43 3HB ALA 43 3.792 -8.838 8.132
290 H LEU 44 H LEU 44 5.404 -6.424 5.704
291 HA LEU 44 HA LEU 44 6.497 -7.762 3.384
292 HB3 LEU 44 2HB LEU 44 5.820 -5.698 2.217
293 HG LEU 44 HG LEU 44 3.682 -6.612 4.184
294 HD11 LEU 44 1HD1 LEU 44 3.211 -4.432 3.102
295 HD12 LEU 44 2HD1 LEU 44 2.111 -5.693 2.555
296 HD13 LEU 44 3HD1 LEU 44 3.447 -5.178 1.497
297 HD21 LEU 44 3HD2 LEU 44 2.934 -8.027 2.299
298 HD22 LEU 44 1HD2 LEU 44 4.525 -8.506 2.856
299 HD23 LEU 44 2HD2 LEU 44 4.369 -7.560 1.354
300 H LYS 45 H LYS 45 8.197 -6.353 5.795
301 HA LYS 45 HA LYS 45 10.136 -5.331 6.081
302 HB3 LYS 45 2HB LYS 45 11.164 -5.851 3.313
303 HG3 LYS 45 2HG LYS 45 12.502 -4.847 5.244
304 HD3 LYS 45 2HD LYS 45 11.736 -6.415 7.075
305 HE3 LYS 45 2HE LYS 45 13.326 -8.411 5.412
306 HZ1 LYS 45 3HZ LYS 45 13.677 -8.677 7.830
307 HZ2 LYS 45 1HZ LYS 45 12.959 -9.962 7.088
308 HZ3 LYS 45 2HZ LYS 45 12.044 -8.982 8.004
309 H LEU 46 H LEU 46 8.329 -3.578 5.873
310 HA LEU 46 HA LEU 46 9.445 -1.421 4.189
311 HB3 LEU 46 2HB LEU 46 6.988 -0.584 4.319
312 HG LEU 46 HG LEU 46 7.774 -3.042 2.752
313 HD11 LEU 46 1HD1 LEU 46 5.490 -1.727 1.505
314 HD12 LEU 46 2HD1 LEU 46 5.075 -2.353 3.136
315 HD13 LEU 46 3HD1 LEU 46 5.746 -3.399 1.901
316 HD21 LEU 46 3HD2 LEU 46 7.425 -0.164 1.865
317 HD22 LEU 46 1HD2 LEU 46 7.832 -1.529 0.804
318 HD23 LEU 46 2HD2 LEU 46 8.957 -1.057 2.066
319 H SER 47 H SER 47 8.916 0.600 5.107
320 HA SER 47 HA SER 47 9.409 0.669 8.078
321 HB3 SER 47 2HB SER 47 10.022 3.019 7.685
322 HG SER 47 HG SER 47 11.295 1.208 5.853
323 H GLU 48 H GLU 48 7.980 1.941 9.407
324 HA GLU 48 HA GLU 48 5.252 2.199 8.909
325 HB3 GLU 48 2HB GLU 48 5.354 4.171 10.501
326 HG3 GLU 48 2HG GLU 48 6.934 1.776 11.493
327 H VAL 49 H VAL 49 7.842 4.272 7.830
328 HA VAL 49 HA VAL 49 6.290 6.560 7.025
329 HB VAL 49 HB VAL 49 9.143 5.606 6.474
330 HG11 VAL 49 1HG1 VAL 49 8.547 6.916 4.501
331 HG12 VAL 49 2HG1 VAL 49 7.792 8.179 5.501
332 HG13 VAL 49 3HG1 VAL 49 9.544 7.918 5.550
333 HG21 VAL 49 3HG2 VAL 49 9.646 7.608 7.908
334 HG22 VAL 49 1HG2 VAL 49 7.902 7.897 8.086
335 HG23 VAL 49 2HG2 VAL 49 8.653 6.437 8.759
336 H GLN 50 H GLN 50 7.638 3.659 5.287
337 HA GLN 50 HA GLN 50 6.668 4.535 2.733
338 HB3 GLN 50 2HB GLN 50 6.933 2.163 2.119
339 HG3 GLN 50 2HG GLN 50 9.402 2.684 3.724
340 HE21 GLN 50 1HE2 GLN 50 8.279 2.716 0.273
341 HE22 GLN 50 2HE2 GLN 50 9.388 1.482 -0.277
342 H VAL 51 H VAL 51 5.264 2.621 5.441
343 HA VAL 51 HA VAL 51 2.955 1.882 3.812
344 HB VAL 51 HB VAL 51 3.107 1.840 6.862
345 HG11 VAL 51 1HG1 VAL 51 1.413 0.078 6.672
346 HG12 VAL 51 2HG1 VAL 51 0.826 1.461 5.747
347 HG13 VAL 51 3HG1 VAL 51 1.539 0.077 4.905
348 HG21 VAL 51 3HG2 VAL 51 3.674 -0.573 6.596
349 HG22 VAL 51 1HG2 VAL 51 3.902 -0.353 4.869
350 HG23 VAL 51 2HG2 VAL 51 4.979 0.453 6.014
351 H LYS 52 H LYS 52 3.621 4.446 6.251
352 HA LYS 52 HA LYS 52 1.092 5.679 6.187
353 HB3 LYS 52 2HB LYS 52 3.924 6.651 6.652
354 HG3 LYS 52 2HG LYS 52 1.418 8.328 6.946
355 HD3 LYS 52 2HD LYS 52 4.064 8.304 8.391
356 HE3 LYS 52 2HE LYS 52 2.480 10.806 7.734
357 HZ1 LYS 52 3HZ LYS 52 4.746 10.317 9.578
358 HZ2 LYS 52 1HZ LYS 52 3.243 10.838 10.019
359 HZ3 LYS 52 2HZ LYS 52 4.268 11.807 9.146
360 H ILE 53 H ILE 53 3.965 6.501 4.202
361 HA ILE 53 HA ILE 53 2.690 8.569 2.766
362 HB ILE 53 HB ILE 53 5.163 6.870 2.226
363 HG13 ILE 53 2HG1 ILE 53 5.280 8.352 4.239
364 HG21 ILE 53 1HG2 ILE 53 5.759 8.625 0.515
365 HG22 ILE 53 2HG2 ILE 53 4.393 7.628 0.058
366 HG23 ILE 53 3HG2 ILE 53 4.113 9.264 0.684
367 HD11 ILE 53 3HD1 ILE 53 7.338 8.229 2.783
368 HD12 ILE 53 1HD1 ILE 53 6.837 9.766 2.045
369 HD13 ILE 53 2HD1 ILE 53 7.180 9.688 3.773
370 H TRP 54 H TRP 54 3.196 5.087 1.796
371 HA TRP 54 HA TRP 54 1.993 5.396 -0.768
372 HB3 TRP 54 2HB TRP 54 1.862 2.892 0.959
373 HD1 TRP 54 HD TRP 54 3.481 2.906 -2.412
374 HE1 TRP 54 1HE TRP 54 2.102 1.541 -4.044
375 HE3 TRP 54 3HE TRP 54 -0.657 2.219 0.471
376 HZ2 TRP 54 2HZ TRP 54 -0.655 0.444 -4.171
377 HZ3 TRP 54 3HZ TRP 54 -2.561 0.915 -0.339
378 HH2 TRP 54 HH TRP 54 -2.591 0.065 -2.687
379 H PHE 55 H PHE 55 0.532 4.346 2.362
380 HA PHE 55 HA PHE 55 -2.120 4.097 1.337
381 HB3 PHE 55 2HB PHE 55 -2.762 4.476 3.762
382 HD1 PHE 55 2HD PHE 55 0.231 2.331 2.705
383 HD2 PHE 55 1HD PHE 55 -3.719 2.517 4.474
384 HE1 PHE 55 2HE PHE 55 0.233 -0.107 3.043
385 HE2 PHE 55 1HE PHE 55 -3.574 0.125 4.954
386 HZ PHE 55 HZ PHE 55 -1.634 -1.207 4.209
387 H GLN 56 H GLN 56 -0.293 6.919 2.623
388 HA GLN 56 HA GLN 56 -2.485 8.747 2.858
389 HB3 GLN 56 2HB GLN 56 -0.471 10.393 2.248
390 HG3 GLN 56 2HG GLN 56 0.377 9.316 4.808
391 HE21 GLN 56 1HE2 GLN 56 1.047 11.702 3.352
392 HE22 GLN 56 2HE2 GLN 56 0.339 13.058 4.221
393 H ASN 57 H ASN 57 -0.304 7.900 0.068
394 HA ASN 57 HA ASN 57 -1.335 9.912 -1.636
395 HB3 ASN 57 2HB ASN 57 -0.183 8.372 -3.326
396 HD21 ASN 57 1HD2 ASN 57 2.508 7.719 -2.139
397 HD22 ASN 57 2HD2 ASN 57 3.264 9.282 -1.900
398 H ARG 58 H ARG 58 -1.979 6.392 -1.389
399 HA ARG 58 HA ARG 58 -4.057 6.222 -3.326
400 HB3 ARG 58 2HB ARG 58 -4.728 4.317 -1.423
401 HG3 ARG 58 2HG ARG 58 -2.571 3.108 -2.526
402 HD3 ARG 58 2HD ARG 58 -5.114 3.762 -4.054
403 HE ARG 58 HE ARG 58 -3.082 2.539 -5.177
404 HH11 ARG 58 1HH1 ARG 58 -6.131 1.138 -4.042
405 HH12 ARG 58 2HH1 ARG 58 -5.954 -0.355 -4.919
406 HH21 ARG 58 1HH2 ARG 58 -3.036 0.767 -6.642
407 HH22 ARG 58 2HH2 ARG 58 -4.233 -0.464 -6.549
408 H ARG 59 H ARG 59 -4.387 6.724 0.226
409 HA ARG 59 HA ARG 59 -7.226 7.049 0.150
410 HB3 ARG 59 2HB ARG 59 -6.884 8.257 2.368
411 HG3 ARG 59 2HG ARG 59 -5.612 5.514 1.956
412 HD3 ARG 59 2HD ARG 59 -5.905 5.202 4.376
413 HE ARG 59 HE ARG 59 -3.869 6.568 3.257
414 HH11 ARG 59 1HH1 ARG 59 -5.453 6.746 6.395
415 HH12 ARG 59 2HH1 ARG 59 -4.056 7.275 7.275
416 HH21 ARG 59 1HH2 ARG 59 -1.880 7.049 4.455
417 HH22 ARG 59 2HH2 ARG 59 -1.956 7.299 6.152
418 H ALA 60 H ALA 60 -4.590 9.396 -0.465
419 HA ALA 60 HA ALA 60 -6.155 11.719 -0.357
420 HB1 ALA 60 1HB ALA 60 -3.650 11.612 -0.480
421 HB2 ALA 60 2HB ALA 60 -3.786 11.204 -2.208
422 HB3 ALA 60 3HB ALA 60 -4.373 12.751 -1.613
423 H LYS 61 H LYS 61 -5.295 9.730 -3.273
424 HA LYS 61 HA LYS 61 -7.012 11.120 -5.033
425 HB3 LYS 61 2HB LYS 61 -6.262 8.156 -5.138
426 HG3 LYS 61 2HG LYS 61 -7.175 10.158 -7.259
427 HD3 LYS 61 2HD LYS 61 -6.178 7.302 -7.617
428 HE3 LYS 61 2HE LYS 61 -7.257 9.361 -9.604
429 HZ1 LYS 61 3HZ LYS 61 -6.192 6.653 -10.117
430 HZ2 LYS 61 1HZ LYS 61 -5.506 8.093 -10.555
431 HZ3 LYS 61 2HZ LYS 61 -6.903 7.622 -11.228
432 H TRP 62 H TRP 62 -7.757 8.303 -2.918
433 HA TRP 62 HA TRP 62 -10.481 8.015 -3.685
434 HB3 TRP 62 2HB TRP 62 -9.148 7.543 -1.014
435 HD1 TRP 62 HD TRP 62 -12.072 5.838 -2.902
436 HE1 TRP 62 1HE TRP 62 -13.749 4.974 -1.186
437 HE3 TRP 62 3HE TRP 62 -9.896 7.704 1.328
438 HZ2 TRP 62 2HZ TRP 62 -14.110 5.083 1.670
439 HZ3 TRP 62 3HZ TRP 62 -10.918 7.275 3.544
440 HH2 TRP 62 HH TRP 62 -12.993 5.940 3.731
441 H LYS 63 H LYS 63 -9.039 10.198 -1.168
442 HA LYS 63 HA LYS 63 -11.519 11.338 -0.327
443 HB3 LYS 63 2HB LYS 63 -9.887 13.272 0.361
444 HG3 LYS 63 2HG LYS 63 -8.746 11.637 2.098
445 HD3 LYS 63 2HD LYS 63 -11.680 12.264 1.804
446 HE3 LYS 63 2HE LYS 63 -11.410 10.075 3.098
447 HZ1 LYS 63 3HZ LYS 63 -9.541 10.673 4.577
448 HZ2 LYS 63 1HZ LYS 63 -10.904 10.521 5.468
449 HZ3 LYS 63 2HZ LYS 63 -10.358 12.006 5.093
450 H ARG 64 H ARG 64 -9.496 12.125 -3.205
451 HA ARG 64 HA ARG 64 -11.122 14.512 -3.674
452 HB3 ARG 64 2HB ARG 64 -9.678 14.366 -5.893
453 HG3 ARG 64 2HG ARG 64 -9.305 16.093 -4.211
454 HD3 ARG 64 2HD ARG 64 -7.377 14.113 -2.958
455 HE ARG 64 HE ARG 64 -7.819 17.028 -2.490
456 HH11 ARG 64 1HH1 ARG 64 -5.916 14.124 -1.778
457 HH12 ARG 64 2HH1 ARG 64 -4.822 14.983 -0.714
458 HH21 ARG 64 1HH2 ARG 64 -6.170 18.135 -1.348
459 HH22 ARG 64 2HH2 ARG 64 -4.858 17.211 -0.630
460 H ILE 65 H ILE 65 -11.575 11.283 -4.258
461 HA ILE 65 HA ILE 65 -13.389 11.858 -6.536
462 HB ILE 65 HB ILE 65 -12.015 9.267 -5.731
463 HG13 ILE 65 2HG1 ILE 65 -10.567 11.021 -6.810
464 HG21 ILE 65 1HG2 ILE 65 -14.227 8.714 -6.670
465 HG22 ILE 65 2HG2 ILE 65 -13.972 9.842 -8.010
466 HG23 ILE 65 3HG2 ILE 65 -13.008 8.368 -7.896
467 HD11 ILE 65 3HD1 ILE 65 -10.205 8.575 -7.347
468 HD12 ILE 65 1HD1 ILE 65 -11.104 8.862 -8.853
469 HD13 ILE 65 2HD1 ILE 65 -9.607 9.748 -8.550
470 H LYS 66 H LYS 66 -13.394 10.515 -3.213
471 HA LYS 66 HA LYS 66 -16.035 9.407 -3.486
472 HB3 LYS 66 2HB LYS 66 -14.096 9.979 -1.219
473 HG3 LYS 66 2HG LYS 66 -16.935 8.988 -1.091
474 HD3 LYS 66 2HD LYS 66 -14.676 8.132 0.495
475 HE3 LYS 66 2HE LYS 66 -16.769 9.331 2.304
476 HZ1 LYS 66 3HZ LYS 66 -13.850 8.908 2.488
477 HZ2 LYS 66 1HZ LYS 66 -15.000 7.940 3.222
478 HZ3 LYS 66 2HZ LYS 66 -14.757 9.508 3.703
479 H ALA 67 H ALA 67 -17.577 10.769 -3.917
480 HA ALA 67 HA ALA 67 -18.871 11.763 -1.848
481 HB1 ALA 67 1HB ALA 67 -17.550 13.692 -1.529
482 HB2 ALA 67 2HB ALA 67 -17.681 14.179 -3.248
483 HB3 ALA 67 3HB ALA 67 -19.094 14.225 -2.178
484 H GLY 68 H GLY 68 -19.343 10.076 -3.924
485 HA2 GLY 68 1HA GLY 68 -21.677 9.637 -4.338
486 HA3 GLY 68 2HA GLY 68 -21.870 11.313 -4.885
487 H ASN 69 H ASN 69 -20.859 11.975 -6.856
488 HA ASN 69 HA ASN 69 -19.648 10.089 -8.639
489 HB3 ASN 69 2HB ASN 69 -22.142 9.719 -9.056
490 HD21 ASN 69 1HD2 ASN 69 -21.927 12.000 -11.697
491 HD22 ASN 69 2HD2 ASN 69 -23.031 13.177 -11.043
492 H VAL 70 H VAL 70 -18.224 11.286 -9.892
493 HA VAL 70 HA VAL 70 -18.340 14.245 -9.605
494 HB VAL 70 HB VAL 70 -16.817 12.771 -8.128
495 HG11 VAL 70 1HG1 VAL 70 -14.623 12.242 -8.924
496 HG12 VAL 70 2HG1 VAL 70 -15.815 11.386 -9.910
497 HG13 VAL 70 3HG1 VAL 70 -15.001 12.828 -10.553
498 HG21 VAL 70 3HG2 VAL 70 -16.778 15.137 -8.052
499 HG22 VAL 70 1HG2 VAL 70 -15.115 14.523 -8.036
500 HG23 VAL 70 2HG2 VAL 70 -15.803 15.218 -9.518
501 H SER 71 H SER 71 -18.981 12.207 -11.834
502 HA SER 71 HA SER 71 -18.544 11.499 -13.847
503 HB3 SER 71 2HB SER 71 -17.079 13.790 -14.955
504 HG SER 71 HG SER 71 -19.660 12.967 -15.693
Start of MODEL 5
1 H1 SER 1 H SER 1 -2.455 -0.072 -23.395
2 HA SER 1 HA SER 1 -1.481 -1.200 -21.451
3 HB3 SER 1 2HB SER 1 -3.527 -2.000 -20.440
4 HG SER 1 HG SER 1 -3.753 0.177 -20.808
5 H ALA 2 H ALA 2 0.054 -2.890 -21.359
6 HA ALA 2 HA ALA 2 -0.912 -5.585 -22.151
7 HB1 ALA 2 1HB ALA 2 1.667 -4.355 -23.182
8 HB2 ALA 2 2HB ALA 2 1.058 -5.999 -23.489
9 HB3 ALA 2 3HB ALA 2 0.195 -4.600 -24.134
10 HA PRO 3 HA PRO 3 1.539 -5.560 -18.161
11 HB3 PRO 3 2HB PRO 3 -0.217 -4.878 -16.829
12 HG3 PRO 3 2HG PRO 3 -2.482 -5.252 -17.484
13 HD3 PRO 3 2HD PRO 3 -1.481 -4.061 -19.258
14 H GLY 4 H GLY 4 2.125 -7.614 -17.015
15 HA2 GLY 4 1HA GLY 4 1.555 -10.068 -18.603
16 HA3 GLY 4 2HA GLY 4 3.211 -9.519 -18.295
17 H GLY 5 H GLY 5 3.061 -11.818 -17.365
18 HA2 GLY 5 1HA GLY 5 2.004 -12.126 -14.675
19 HA3 GLY 5 2HA GLY 5 3.169 -13.182 -15.493
20 H LYS 6 H LYS 6 4.065 -13.078 -13.194
21 HA LYS 6 HA LYS 6 6.410 -11.424 -13.277
22 HB3 LYS 6 2HB LYS 6 5.055 -9.800 -12.105
23 HG3 LYS 6 2HG LYS 6 4.364 -11.990 -10.093
24 HD3 LYS 6 2HD LYS 6 3.939 -8.988 -10.108
25 HE3 LYS 6 2HE LYS 6 2.265 -9.554 -8.200
26 HZ1 LYS 6 3HZ LYS 6 1.498 -9.928 -11.029
27 HZ2 LYS 6 1HZ LYS 6 1.501 -8.524 -10.173
28 HZ3 LYS 6 2HZ LYS 6 0.432 -9.683 -9.775
29 H SER 7 H SER 7 7.830 -12.050 -11.424
30 HA SER 7 HA SER 7 7.163 -14.571 -10.066
31 HB3 SER 7 2HB SER 7 8.762 -15.917 -10.924
32 HG SER 7 HG SER 7 9.024 -14.033 -13.019
33 H ARG 8 H ARG 8 9.946 -12.287 -10.618
34 HA ARG 8 HA ARG 8 9.713 -11.457 -7.790
35 HB3 ARG 8 2HB ARG 8 11.290 -13.349 -7.792
36 HG3 ARG 8 2HG ARG 8 12.957 -11.659 -9.687
37 HD3 ARG 8 2HD ARG 8 13.844 -13.689 -7.615
38 HE ARG 8 HE ARG 8 14.945 -13.493 -10.188
39 HH11 ARG 8 1HH1 ARG 8 16.049 -13.292 -6.788
40 HH12 ARG 8 2HH1 ARG 8 17.620 -13.920 -7.164
41 HH21 ARG 8 1HH2 ARG 8 16.937 -14.296 -10.634
42 HH22 ARG 8 2HH2 ARG 8 18.129 -14.602 -9.399
43 H ARG 9 H ARG 9 11.148 -9.537 -7.303
44 HA ARG 9 HA ARG 9 12.343 -8.277 -9.690
45 HB3 ARG 9 2HB ARG 9 10.584 -6.619 -7.855
46 HG3 ARG 9 2HG ARG 9 12.491 -5.881 -9.750
47 HD3 ARG 9 2HD ARG 9 10.977 -6.806 -11.555
48 HE ARG 9 HE ARG 9 8.787 -6.284 -11.282
49 HH11 ARG 9 1HH1 ARG 9 10.581 -3.207 -10.979
50 HH12 ARG 9 2HH1 ARG 9 9.147 -2.281 -10.660
51 HH21 ARG 9 1HH2 ARG 9 6.921 -5.014 -10.922
52 HH22 ARG 9 2HH2 ARG 9 7.077 -3.301 -10.728
53 H ARG 10 H ARG 10 11.703 -7.887 -6.159
54 HA ARG 10 HA ARG 10 12.824 -6.794 -4.601
55 HB3 ARG 10 2HB ARG 10 15.352 -8.222 -5.436
56 HG3 ARG 10 2HG ARG 10 13.865 -7.639 -2.836
57 HD3 ARG 10 2HD ARG 10 15.415 -9.849 -3.186
58 HE ARG 10 HE ARG 10 17.596 -9.124 -3.155
59 HH11 ARG 10 1HH1 ARG 10 15.795 -7.006 -0.861
60 HH12 ARG 10 2HH1 ARG 10 17.232 -6.375 -0.184
61 HH21 ARG 10 1HH2 ARG 10 19.442 -8.489 -1.951
62 HH22 ARG 10 2HH2 ARG 10 19.300 -7.337 -0.673
63 H ARG 11 H ARG 11 12.443 -5.059 -6.571
64 HA ARG 11 HA ARG 11 14.652 -3.221 -6.204
65 HB3 ARG 11 2HB ARG 11 14.298 -2.411 -8.632
66 HG3 ARG 11 2HG ARG 11 15.707 -5.088 -8.236
67 HD3 ARG 11 2HD ARG 11 15.784 -2.984 -10.405
68 HE ARG 11 HE ARG 11 18.059 -4.880 -10.112
69 HH11 ARG 11 1HH1 ARG 11 17.012 -1.486 -9.857
70 HH12 ARG 11 2HH1 ARG 11 18.600 -0.850 -10.191
71 HH21 ARG 11 1HH2 ARG 11 20.075 -4.065 -10.377
72 HH22 ARG 11 2HH2 ARG 11 20.365 -2.371 -10.694
73 H THR 12 H THR 12 13.702 -0.982 -6.966
74 HA THR 12 HA THR 12 12.281 0.649 -6.546
75 HB THR 12 HB THR 12 9.949 -1.257 -6.292
76 HG1 THR 12 1HG THR 12 9.736 -1.362 -8.355
77 HG21 THR 12 3HG2 THR 12 9.358 1.034 -5.735
78 HG22 THR 12 1HG2 THR 12 8.675 0.647 -7.312
79 HG23 THR 12 2HG2 THR 12 10.141 1.647 -7.206
80 H ALA 13 H ALA 13 11.160 1.613 -4.655
81 HA ALA 13 HA ALA 13 12.316 0.918 -2.209
82 HB1 ALA 13 1HB ALA 13 11.260 3.142 -2.995
83 HB2 ALA 13 2HB ALA 13 9.698 2.410 -2.533
84 HB3 ALA 13 3HB ALA 13 10.953 2.668 -1.321
85 H PHE 14 H PHE 14 9.756 -0.770 -3.677
86 HA PHE 14 HA PHE 14 9.001 -2.105 -1.206
87 HB3 PHE 14 2HB PHE 14 6.669 -2.113 -1.823
88 HD1 PHE 14 1HD PHE 14 7.697 1.210 -3.021
89 HD2 PHE 14 2HD PHE 14 6.352 -1.052 0.356
90 HE1 PHE 14 1HE PHE 14 7.201 3.352 -1.792
91 HE2 PHE 14 2HE PHE 14 5.818 1.042 1.568
92 HZ PHE 14 HZ PHE 14 6.228 3.250 0.488
93 H THR 15 H THR 15 8.887 -4.352 -1.692
94 HA THR 15 HA THR 15 9.878 -5.085 -4.388
95 HB THR 15 HB THR 15 10.391 -7.235 -3.291
96 HG1 THR 15 1HG THR 15 9.745 -6.094 -0.790
97 HG21 THR 15 3HG2 THR 15 11.401 -4.918 -1.568
98 HG22 THR 15 1HG2 THR 15 12.048 -5.340 -3.156
99 HG23 THR 15 2HG2 THR 15 12.151 -6.498 -1.803
100 H SER 16 H SER 16 8.902 -7.482 -5.089
101 HA SER 16 HA SER 16 6.111 -7.084 -5.501
102 HB3 SER 16 2HB SER 16 6.139 -9.353 -6.377
103 HG SER 16 HG SER 16 7.620 -9.037 -7.960
104 H GLU 17 H GLU 17 7.898 -8.755 -2.912
105 HA GLU 17 HA GLU 17 5.655 -10.099 -1.747
106 HB3 GLU 17 2HB GLU 17 7.289 -9.715 0.358
107 HG3 GLU 17 2HG GLU 17 7.244 -11.670 -1.846
108 H GLN 18 H GLN 18 7.222 -6.933 -1.004
109 HA GLN 18 HA GLN 18 5.350 -6.274 1.050
110 HB3 GLN 18 2HB GLN 18 6.335 -3.939 0.710
111 HG3 GLN 18 2HG GLN 18 7.973 -6.438 1.243
112 HE21 GLN 18 1HE2 GLN 18 9.502 -5.005 3.227
113 HE22 GLN 18 2HE2 GLN 18 10.853 -4.288 2.442
114 H LEU 19 H LEU 19 5.446 -5.445 -2.461
115 HA LEU 19 HA LEU 19 3.160 -3.681 -2.280
116 HB3 LEU 19 2HB LEU 19 3.107 -4.098 -4.823
117 HG LEU 19 HG LEU 19 5.678 -3.117 -3.562
118 HD11 LEU 19 1HD1 LEU 19 6.116 -3.831 -5.844
119 HD12 LEU 19 2HD1 LEU 19 6.148 -2.060 -5.734
120 HD13 LEU 19 3HD1 LEU 19 4.729 -2.889 -6.445
121 HD21 LEU 19 3HD2 LEU 19 4.740 -0.857 -4.175
122 HD22 LEU 19 1HD2 LEU 19 3.752 -1.702 -2.984
123 HD23 LEU 19 2HD2 LEU 19 3.232 -1.659 -4.684
124 H LEU 20 H LEU 20 3.390 -7.173 -2.360
125 HA LEU 20 HA LEU 20 0.653 -7.546 -3.360
126 HB3 LEU 20 2HB LEU 20 2.618 -9.442 -1.999
127 HG LEU 20 HG LEU 20 -0.224 -9.788 -2.858
128 HD11 LEU 20 1HD1 LEU 20 0.109 -12.041 -3.766
129 HD12 LEU 20 2HD1 LEU 20 1.860 -11.824 -3.718
130 HD13 LEU 20 3HD1 LEU 20 0.863 -10.818 -4.797
131 HD21 LEU 20 3HD2 LEU 20 -0.105 -11.697 -1.317
132 HD22 LEU 20 1HD2 LEU 20 0.586 -10.283 -0.536
133 HD23 LEU 20 2HD2 LEU 20 1.655 -11.532 -1.196
134 H GLU 21 H GLU 21 2.328 -7.399 -0.193
135 HA GLU 21 HA GLU 21 -0.070 -8.108 1.278
136 HB3 GLU 21 2HB GLU 21 1.516 -7.429 3.228
137 HG3 GLU 21 2HG GLU 21 3.154 -9.343 2.641
138 H LEU 22 H LEU 22 1.370 -5.151 0.184
139 HA LEU 22 HA LEU 22 0.011 -3.355 1.982
140 HB3 LEU 22 2HB LEU 22 0.546 -1.919 -0.311
141 HG LEU 22 HG LEU 22 1.548 -1.083 1.589
142 HD11 LEU 22 1HD1 LEU 22 3.133 -3.649 1.964
143 HD12 LEU 22 2HD1 LEU 22 1.853 -3.052 3.025
144 HD13 LEU 22 3HD1 LEU 22 3.366 -2.158 2.892
145 HD21 LEU 22 3HD2 LEU 22 3.868 -2.240 -0.006
146 HD22 LEU 22 1HD2 LEU 22 3.863 -0.748 0.964
147 HD23 LEU 22 2HD2 LEU 22 2.897 -0.856 -0.514
148 H GLU 23 H GLU 23 -0.892 -4.679 -1.256
149 HA GLU 23 HA GLU 23 -3.332 -3.119 -1.313
150 HB3 GLU 23 2HB GLU 23 -2.401 -3.757 -3.401
151 HG3 GLU 23 2HG GLU 23 -2.494 -6.560 -2.309
152 H LYS 24 H LYS 24 -2.400 -6.200 0.085
153 HA LYS 24 HA LYS 24 -4.950 -7.397 0.510
154 HB3 LYS 24 2HB LYS 24 -3.427 -7.873 2.840
155 HG3 LYS 24 2HG LYS 24 -4.571 -9.604 1.227
156 HD3 LYS 24 2HD LYS 24 -2.661 -11.022 0.228
157 HE3 LYS 24 2HE LYS 24 -2.466 -9.680 -1.904
158 HZ1 LYS 24 3HZ LYS 24 -5.215 -10.035 -0.871
159 HZ2 LYS 24 1HZ LYS 24 -4.296 -11.205 -1.574
160 HZ3 LYS 24 2HZ LYS 24 -4.778 -9.897 -2.455
161 H GLU 25 H GLU 25 -3.090 -5.245 2.721
162 HA GLU 25 HA GLU 25 -5.330 -4.929 4.484
163 HB3 GLU 25 2HB GLU 25 -3.696 -2.836 5.137
164 HG3 GLU 25 2HG GLU 25 -4.219 -4.615 6.677
165 H PHE 26 H PHE 26 -4.893 -3.521 1.460
166 HA PHE 26 HA PHE 26 -6.754 -1.274 2.127
167 HB3 PHE 26 2HB PHE 26 -5.410 -1.800 -0.529
168 HD1 PHE 26 2HD PHE 26 -5.510 1.174 1.722
169 HD2 PHE 26 1HD PHE 26 -6.988 -0.543 -1.946
170 HE1 PHE 26 2HE PHE 26 -6.460 3.354 1.064
171 HE2 PHE 26 1HE PHE 26 -7.926 1.640 -2.600
172 HZ PHE 26 HZ PHE 26 -7.671 3.611 -1.083
173 H HIS 27 H HIS 27 -7.043 -4.482 1.524
174 HA HIS 27 HA HIS 27 -9.044 -4.306 -0.595
175 HB3 HIS 27 2HB HIS 27 -8.330 -6.764 1.026
176 HD1 HIS 27 1HD HIS 27 -10.206 -8.392 0.229
177 HD2 HIS 27 2HD HIS 27 -8.839 -5.698 -2.705
178 HE1 HIS 27 1HE HIS 27 -11.570 -8.856 -1.895
179 H CYS 28 H CYS 28 -9.164 -5.550 2.863
180 HA CYS 28 HA CYS 28 -12.065 -5.302 2.817
181 HB3 CYS 28 2HB CYS 28 -10.424 -5.732 5.327
182 HG CYS 28 HG CYS 28 -13.102 -5.487 5.439
183 H LYS 29 H LYS 29 -9.283 -3.806 4.542
184 HA LYS 29 HA LYS 29 -11.005 -1.558 5.321
185 HB3 LYS 29 2HB LYS 29 -8.805 -0.790 6.470
186 HG3 LYS 29 2HG LYS 29 -10.121 -3.402 7.317
187 HD3 LYS 29 2HD LYS 29 -8.451 -1.343 8.807
188 HE3 LYS 29 2HE LYS 29 -10.318 -1.895 10.288
189 HZ1 LYS 29 3HZ LYS 29 -11.099 -3.968 9.604
190 HZ2 LYS 29 1HZ LYS 29 -10.389 -4.241 11.077
191 HZ3 LYS 29 2HZ LYS 29 -9.607 -4.694 9.704
192 H LYS 30 H LYS 30 -9.851 0.657 5.095
193 HA LYS 30 HA LYS 30 -8.355 0.880 2.515
194 HB3 LYS 30 2HB LYS 30 -9.605 3.051 2.108
195 HG3 LYS 30 2HG LYS 30 -11.823 2.028 1.495
196 HD3 LYS 30 2HD LYS 30 -9.307 0.548 0.606
197 HE3 LYS 30 2HE LYS 30 -10.743 0.119 -1.468
198 HZ1 LYS 30 3HZ LYS 30 -10.128 -1.651 0.155
199 HZ2 LYS 30 1HZ LYS 30 -11.526 -1.946 -0.646
200 HZ3 LYS 30 2HZ LYS 30 -11.569 -1.445 0.897
201 H TYR 31 H TYR 31 -8.118 1.325 5.834
202 HA TYR 31 HA TYR 31 -5.731 2.834 5.571
203 HB3 TYR 31 2HB TYR 31 -7.038 4.806 5.605
204 HD1 TYR 31 1HD TYR 31 -9.371 4.419 4.978
205 HD2 TYR 31 2HD TYR 31 -8.082 4.103 9.086
206 HE1 TYR 31 1HE TYR 31 -11.726 4.469 5.710
207 HE2 TYR 31 2HE TYR 31 -10.432 4.149 9.829
208 HH TYR 31 HH TYR 31 -12.625 4.035 9.155
209 H LEU 32 H LEU 32 -5.092 3.294 8.104
210 HA LEU 32 HA LEU 32 -5.452 0.696 9.525
211 HB3 LEU 32 2HB LEU 32 -2.939 0.727 9.766
212 HG LEU 32 HG LEU 32 -3.920 0.618 6.877
213 HD11 LEU 32 1HD1 LEU 32 -1.754 -0.540 6.433
214 HD12 LEU 32 2HD1 LEU 32 -1.196 -0.025 8.042
215 HD13 LEU 32 3HD1 LEU 32 -1.597 1.178 6.794
216 HD21 LEU 32 3HD2 LEU 32 -3.633 -1.846 7.234
217 HD22 LEU 32 1HD2 LEU 32 -4.890 -1.142 8.250
218 HD23 LEU 32 2HD2 LEU 32 -3.304 -1.536 8.948
219 H SER 33 H SER 33 -5.172 0.803 11.673
220 HA SER 33 HA SER 33 -5.137 3.371 13.032
221 HB3 SER 33 2HB SER 33 -4.708 0.667 14.304
222 HG SER 33 HG SER 33 -5.797 1.559 15.955
223 H LEU 34 H LEU 34 -3.485 3.666 14.775
224 HA LEU 34 HA LEU 34 -0.900 3.908 13.623
225 HB3 LEU 34 2HB LEU 34 -0.408 4.214 16.313
226 HG LEU 34 HG LEU 34 -1.692 6.118 14.316
227 HD11 LEU 34 1HD1 LEU 34 -1.195 7.966 15.882
228 HD12 LEU 34 2HD1 LEU 34 -0.753 6.780 17.135
229 HD13 LEU 34 3HD1 LEU 34 -2.427 6.875 16.524
230 HD21 LEU 34 3HD2 LEU 34 1.084 5.989 15.582
231 HD22 LEU 34 1HD2 LEU 34 0.557 7.150 14.341
232 HD23 LEU 34 2HD2 LEU 34 0.684 5.429 13.954
233 H THR 35 H THR 35 -2.019 1.735 16.192
234 HA THR 35 HA THR 35 0.381 0.354 16.541
235 HB THR 35 HB THR 35 -2.336 -0.942 16.838
236 HG1 THR 35 1HG THR 35 -2.533 0.123 18.809
237 HG21 THR 35 3HG2 THR 35 -1.317 -1.914 18.863
238 HG22 THR 35 1HG2 THR 35 0.182 -1.006 18.561
239 HG23 THR 35 2HG2 THR 35 -0.344 -2.268 17.429
240 H GLU 36 H GLU 36 -2.344 -0.366 14.337
241 HA GLU 36 HA GLU 36 -1.527 -2.866 13.329
242 HB3 GLU 36 2HB GLU 36 -3.008 -2.355 11.433
243 HG3 GLU 36 2HG GLU 36 -4.922 -0.995 12.686
244 H ARG 37 H ARG 37 -0.728 0.460 12.294
245 HA ARG 37 HA ARG 37 0.834 -0.345 10.015
246 HB3 ARG 37 2HB ARG 37 0.826 2.228 11.662
247 HG3 ARG 37 2HG ARG 37 2.000 1.555 8.948
248 HD3 ARG 37 2HD ARG 37 2.120 4.117 8.746
249 HE ARG 37 HE ARG 37 0.236 2.411 7.770
250 HH11 ARG 37 1HH1 ARG 37 0.010 5.727 8.966
251 HH12 ARG 37 2HH1 ARG 37 -1.169 6.271 7.821
252 HH21 ARG 37 1HH2 ARG 37 -1.344 3.069 6.193
253 HH22 ARG 37 2HH2 ARG 37 -1.887 4.705 6.142
254 H SER 38 H SER 38 1.593 -0.120 13.452
255 HA SER 38 HA SER 38 4.458 -0.384 13.161
256 HB3 SER 38 2HB SER 38 3.110 -1.625 15.523
257 HG SER 38 HG SER 38 4.693 -0.625 16.577
258 H GLN 39 H GLN 39 1.730 -2.689 13.689
259 HA GLN 39 HA GLN 39 3.200 -5.069 13.724
260 HB3 GLN 39 2HB GLN 39 1.132 -6.218 13.074
261 HG3 GLN 39 2HG GLN 39 -0.493 -5.318 14.699
262 HE21 GLN 39 1HE2 GLN 39 0.038 -7.214 15.782
263 HE22 GLN 39 2HE2 GLN 39 1.418 -7.384 16.839
264 H ILE 40 H ILE 40 1.712 -3.461 10.907
265 HA ILE 40 HA ILE 40 2.581 -5.303 8.932
266 HB ILE 40 HB ILE 40 1.781 -2.372 8.811
267 HG13 ILE 40 2HG1 ILE 40 0.146 -4.278 9.581
268 HG21 ILE 40 1HG2 ILE 40 2.105 -4.315 6.487
269 HG22 ILE 40 2HG2 ILE 40 1.372 -2.711 6.366
270 HG23 ILE 40 3HG2 ILE 40 3.086 -2.869 6.764
271 HD11 ILE 40 3HD1 ILE 40 -0.744 -2.617 7.213
272 HD12 ILE 40 1HD1 ILE 40 -1.737 -3.320 8.507
273 HD13 ILE 40 2HD1 ILE 40 -0.600 -2.026 8.895
274 H ALA 41 H ALA 41 4.090 -2.225 10.096
275 HA ALA 41 HA ALA 41 6.198 -2.198 8.211
276 HB1 ALA 41 1HB ALA 41 5.711 -0.257 9.590
277 HB2 ALA 41 2HB ALA 41 6.116 -1.152 11.074
278 HB3 ALA 41 3HB ALA 41 7.378 -0.781 9.890
279 H HIS 42 H HIS 42 6.001 -3.739 11.428
280 HA HIS 42 HA HIS 42 8.638 -4.893 11.385
281 HB3 HIS 42 2HB HIS 42 7.538 -6.449 13.107
282 HD1 HIS 42 1HD HIS 42 8.607 -5.736 15.328
283 HD2 HIS 42 2HD HIS 42 7.138 -2.502 13.058
284 HE1 HIS 42 1HE HIS 42 9.284 -3.626 16.561
285 H ALA 43 H ALA 43 5.398 -6.198 10.457
286 HA ALA 43 HA ALA 43 6.341 -8.779 9.883
287 HB1 ALA 43 1HB ALA 43 3.831 -7.354 8.898
288 HB2 ALA 43 2HB ALA 43 4.098 -9.106 8.867
289 HB3 ALA 43 3HB ALA 43 3.991 -8.267 10.419
290 H LEU 44 H LEU 44 6.328 -5.970 7.827
291 HA LEU 44 HA LEU 44 6.994 -7.662 5.446
292 HB3 LEU 44 2HB LEU 44 6.297 -5.741 4.119
293 HG LEU 44 HG LEU 44 4.136 -6.261 6.206
294 HD11 LEU 44 1HD1 LEU 44 2.616 -5.661 4.394
295 HD12 LEU 44 2HD1 LEU 44 3.974 -5.466 3.266
296 HD13 LEU 44 3HD1 LEU 44 3.778 -4.354 4.641
297 HD21 LEU 44 3HD2 LEU 44 4.911 -8.440 5.336
298 HD22 LEU 44 1HD2 LEU 44 4.757 -7.842 3.666
299 HD23 LEU 44 2HD2 LEU 44 3.325 -8.039 4.708
300 H LYS 45 H LYS 45 8.629 -5.954 7.731
301 HA LYS 45 HA LYS 45 10.495 -4.787 7.901
302 HB3 LYS 45 2HB LYS 45 11.752 -5.756 5.343
303 HG3 LYS 45 2HG LYS 45 12.824 -4.469 7.317
304 HD3 LYS 45 2HD LYS 45 13.093 -7.194 8.583
305 HE3 LYS 45 2HE LYS 45 12.997 -4.343 9.683
306 HZ1 LYS 45 3HZ LYS 45 12.366 -5.901 11.404
307 HZ2 LYS 45 1HZ LYS 45 13.910 -5.384 11.660
308 HZ3 LYS 45 2HZ LYS 45 13.644 -6.887 11.045
309 H LEU 46 H LEU 46 8.828 -3.138 7.470
310 HA LEU 46 HA LEU 46 9.960 -1.151 5.629
311 HB3 LEU 46 2HB LEU 46 7.522 -0.303 5.605
312 HG LEU 46 HG LEU 46 8.097 -2.932 4.260
313 HD11 LEU 46 1HD1 LEU 46 5.665 -2.547 4.425
314 HD12 LEU 46 2HD1 LEU 46 6.207 -2.446 2.753
315 HD13 LEU 46 3HD1 LEU 46 5.854 -0.956 3.657
316 HD21 LEU 46 3HD2 LEU 46 9.605 -1.143 3.472
317 HD22 LEU 46 1HD2 LEU 46 8.190 -0.136 3.067
318 HD23 LEU 46 2HD2 LEU 46 8.491 -1.657 2.208
319 H SER 47 H SER 47 8.719 0.863 6.567
320 HA SER 47 HA SER 47 8.866 0.933 9.550
321 HB3 SER 47 2HB SER 47 9.917 3.173 9.413
322 HG SER 47 HG SER 47 11.956 2.360 8.486
323 H GLU 48 H GLU 48 7.646 2.915 10.368
324 HA GLU 48 HA GLU 48 4.992 2.643 9.562
325 HB3 GLU 48 2HB GLU 48 4.653 4.755 10.956
326 HG3 GLU 48 2HG GLU 48 6.262 2.418 12.026
327 H VAL 49 H VAL 49 7.396 4.871 8.449
328 HA VAL 49 HA VAL 49 5.686 6.810 7.112
329 HB VAL 49 HB VAL 49 8.662 6.241 7.268
330 HG11 VAL 49 1HG1 VAL 49 8.339 7.057 4.969
331 HG12 VAL 49 2HG1 VAL 49 7.348 8.413 5.576
332 HG13 VAL 49 3HG1 VAL 49 9.074 8.286 5.987
333 HG21 VAL 49 3HG2 VAL 49 7.503 7.397 9.169
334 HG22 VAL 49 1HG2 VAL 49 8.675 8.440 8.354
335 HG23 VAL 49 2HG2 VAL 49 6.942 8.646 8.039
336 H GLN 50 H GLN 50 7.836 4.049 6.030
337 HA GLN 50 HA GLN 50 7.256 4.402 3.297
338 HB3 GLN 50 2HB GLN 50 8.161 2.217 2.990
339 HG3 GLN 50 2HG GLN 50 9.488 2.962 5.592
340 HE21 GLN 50 1HE2 GLN 50 10.602 2.247 2.219
341 HE22 GLN 50 2HE2 GLN 50 11.707 0.979 2.768
342 H VAL 51 H VAL 51 5.576 2.591 5.877
343 HA VAL 51 HA VAL 51 3.659 1.334 4.063
344 HB VAL 51 HB VAL 51 3.421 1.901 7.050
345 HG11 VAL 51 1HG1 VAL 51 1.213 1.402 6.023
346 HG12 VAL 51 2HG1 VAL 51 1.887 -0.059 5.281
347 HG13 VAL 51 3HG1 VAL 51 1.749 0.054 7.040
348 HG21 VAL 51 3HG2 VAL 51 4.321 -0.653 5.641
349 HG22 VAL 51 1HG2 VAL 51 5.376 0.436 6.559
350 HG23 VAL 51 2HG2 VAL 51 4.095 -0.440 7.389
351 H LYS 52 H LYS 52 3.560 4.199 6.208
352 HA LYS 52 HA LYS 52 0.984 5.110 5.672
353 HB3 LYS 52 2HB LYS 52 3.574 6.454 6.451
354 HG3 LYS 52 2HG LYS 52 0.837 7.756 6.440
355 HD3 LYS 52 2HD LYS 52 3.438 8.260 7.960
356 HE3 LYS 52 2HE LYS 52 1.240 10.178 7.201
357 HZ1 LYS 52 3HZ LYS 52 2.312 11.620 8.942
358 HZ2 LYS 52 1HZ LYS 52 3.180 10.293 9.463
359 HZ3 LYS 52 2HZ LYS 52 1.573 10.305 9.610
360 H ILE 53 H ILE 53 3.987 6.064 3.887
361 HA ILE 53 HA ILE 53 2.622 7.945 2.219
362 HB ILE 53 HB ILE 53 5.255 6.431 1.854
363 HG13 ILE 53 2HG1 ILE 53 5.097 7.998 3.834
364 HG21 ILE 53 1HG2 ILE 53 4.409 7.186 -0.361
365 HG22 ILE 53 2HG2 ILE 53 4.180 8.826 0.280
366 HG23 ILE 53 3HG2 ILE 53 5.806 8.121 0.117
367 HD11 ILE 53 3HD1 ILE 53 6.829 9.291 1.704
368 HD12 ILE 53 1HD1 ILE 53 6.976 9.424 3.452
369 HD13 ILE 53 2HD1 ILE 53 7.303 7.868 2.667
370 H TRP 54 H TRP 54 3.433 4.443 1.625
371 HA TRP 54 HA TRP 54 2.298 4.408 -0.974
372 HB3 TRP 54 2HB TRP 54 2.202 2.090 0.991
373 HD1 TRP 54 HD TRP 54 3.693 1.914 -2.478
374 HE1 TRP 54 1HE TRP 54 2.331 0.328 -3.933
375 HE3 TRP 54 3HE TRP 54 -0.294 1.248 0.632
376 HZ2 TRP 54 2HZ TRP 54 -0.147 -1.242 -3.677
377 HZ3 TRP 54 3HZ TRP 54 -2.081 -0.323 0.070
378 HH2 TRP 54 HH TRP 54 -2.014 -1.569 -2.141
379 H PHE 55 H PHE 55 0.726 3.603 2.175
380 HA PHE 55 HA PHE 55 -1.876 3.202 1.080
381 HB3 PHE 55 2HB PHE 55 -2.539 3.984 3.526
382 HD1 PHE 55 2HD PHE 55 0.271 1.476 3.232
383 HD2 PHE 55 1HD PHE 55 -4.001 2.143 3.468
384 HE1 PHE 55 2HE PHE 55 -0.115 -0.962 3.335
385 HE2 PHE 55 1HE PHE 55 -4.351 -0.322 3.572
386 HZ PHE 55 HZ PHE 55 -2.397 -1.842 3.427
387 H GLN 56 H GLN 56 -0.268 6.210 2.138
388 HA GLN 56 HA GLN 56 -2.558 7.921 1.909
389 HB3 GLN 56 2HB GLN 56 -0.579 9.618 1.463
390 HG3 GLN 56 2HG GLN 56 -0.488 8.403 4.241
391 HE21 GLN 56 1HE2 GLN 56 1.672 9.492 4.008
392 HE22 GLN 56 2HE2 GLN 56 1.751 11.216 4.192
393 H ASN 57 H ASN 57 -0.033 6.881 -0.593
394 HA ASN 57 HA ASN 57 -1.138 8.574 -2.610
395 HB3 ASN 57 2HB ASN 57 0.243 6.924 -4.018
396 HD21 ASN 57 1HD2 ASN 57 2.934 6.732 -2.816
397 HD22 ASN 57 2HD2 ASN 57 3.514 8.373 -2.745
398 H ARG 58 H ARG 58 -1.634 5.175 -1.626
399 HA ARG 58 HA ARG 58 -3.383 4.545 -3.809
400 HB3 ARG 58 2HB ARG 58 -4.055 2.743 -1.859
401 HG3 ARG 58 2HG ARG 58 -2.015 1.464 -2.609
402 HD3 ARG 58 2HD ARG 58 -3.407 2.698 -5.006
403 HE ARG 58 HE ARG 58 -1.874 0.457 -4.991
404 HH11 ARG 58 1HH1 ARG 58 -5.404 0.891 -5.096
405 HH12 ARG 58 2HH1 ARG 58 -5.741 -0.735 -5.607
406 HH21 ARG 58 1HH2 ARG 58 -2.324 -1.664 -6.013
407 HH22 ARG 58 2HH2 ARG 58 -3.968 -2.128 -6.261
408 H ARG 59 H ARG 59 -4.070 5.883 -0.564
409 HA ARG 59 HA ARG 59 -6.917 5.971 -0.908
410 HB3 ARG 59 2HB ARG 59 -6.789 7.922 0.732
411 HG3 ARG 59 2HG ARG 59 -5.445 5.294 1.433
412 HD3 ARG 59 2HD ARG 59 -4.997 7.220 3.097
413 HE ARG 59 HE ARG 59 -7.824 6.606 3.897
414 HH11 ARG 59 1HH1 ARG 59 -5.616 9.244 2.945
415 HH12 ARG 59 2HH1 ARG 59 -6.465 10.419 3.868
416 HH21 ARG 59 1HH2 ARG 59 -8.724 8.142 5.352
417 HH22 ARG 59 2HH2 ARG 59 -8.442 9.818 5.009
418 H ALA 60 H ALA 60 -4.314 8.151 -2.145
419 HA ALA 60 HA ALA 60 -6.144 10.167 -3.038
420 HB1 ALA 60 1HB ALA 60 -4.265 10.715 -4.661
421 HB2 ALA 60 2HB ALA 60 -3.873 10.802 -2.929
422 HB3 ALA 60 3HB ALA 60 -3.333 9.427 -3.900
423 H LYS 61 H LYS 61 -4.642 7.411 -4.882
424 HA LYS 61 HA LYS 61 -6.239 7.883 -7.188
425 HB3 LYS 61 2HB LYS 61 -5.107 5.201 -6.273
426 HG3 LYS 61 2HG LYS 61 -6.234 6.221 -8.919
427 HD3 LYS 61 2HD LYS 61 -4.428 3.798 -8.563
428 HE3 LYS 61 2HE LYS 61 -6.237 4.709 -10.849
429 HZ1 LYS 61 3HZ LYS 61 -3.966 2.817 -10.978
430 HZ2 LYS 61 1HZ LYS 61 -4.290 4.046 -11.997
431 HZ3 LYS 61 2HZ LYS 61 -5.220 2.723 -12.023
432 H TRP 62 H TRP 62 -7.071 6.096 -4.213
433 HA TRP 62 HA TRP 62 -9.582 5.087 -5.106
434 HB3 TRP 62 2HB TRP 62 -8.726 6.022 -2.346
435 HD1 TRP 62 HD TRP 62 -10.977 3.289 -3.804
436 HE1 TRP 62 1HE TRP 62 -12.900 2.860 -2.250
437 HE3 TRP 62 3HE TRP 62 -10.031 7.030 -0.458
438 HZ2 TRP 62 2HZ TRP 62 -13.872 3.951 0.316
439 HZ3 TRP 62 3HZ TRP 62 -11.540 7.391 1.483
440 HH2 TRP 62 HH TRP 62 -13.435 5.817 1.908
441 H LYS 63 H LYS 63 -8.849 8.300 -3.599
442 HA LYS 63 HA LYS 63 -11.519 9.126 -3.345
443 HB3 LYS 63 2HB LYS 63 -10.563 11.447 -3.374
444 HG3 LYS 63 2HG LYS 63 -8.429 10.657 -1.788
445 HD3 LYS 63 2HD LYS 63 -10.353 12.165 -1.115
446 HE3 LYS 63 2HE LYS 63 -11.561 9.422 -0.528
447 HZ1 LYS 63 3HZ LYS 63 -11.734 10.887 1.383
448 HZ2 LYS 63 1HZ LYS 63 -13.201 10.558 0.733
449 HZ3 LYS 63 2HZ LYS 63 -12.502 12.029 0.458
450 H ARG 64 H ARG 64 -9.392 9.469 -6.234
451 HA ARG 64 HA ARG 64 -11.423 10.974 -7.721
452 HB3 ARG 64 2HB ARG 64 -9.497 10.542 -9.536
453 HG3 ARG 64 2HG ARG 64 -8.136 12.433 -8.617
454 HD3 ARG 64 2HD ARG 64 -11.114 13.051 -8.728
455 HE ARG 64 HE ARG 64 -8.931 14.779 -8.564
456 HH11 ARG 64 1HH1 ARG 64 -11.398 14.218 -11.150
457 HH12 ARG 64 2HH1 ARG 64 -11.219 15.837 -11.745
458 HH21 ARG 64 1HH2 ARG 64 -8.933 16.996 -9.386
459 HH22 ARG 64 2HH2 ARG 64 -9.880 17.330 -10.792
460 H ILE 65 H ILE 65 -11.399 7.810 -6.867
461 HA ILE 65 HA ILE 65 -12.719 7.132 -9.390
462 HB ILE 65 HB ILE 65 -11.090 5.252 -7.649
463 HG13 ILE 65 2HG1 ILE 65 -9.688 6.827 -8.994
464 HG21 ILE 65 1HG2 ILE 65 -13.000 4.090 -8.688
465 HG22 ILE 65 2HG2 ILE 65 -12.600 4.781 -10.267
466 HG23 ILE 65 3HG2 ILE 65 -11.515 3.608 -9.489
467 HD11 ILE 65 3HD1 ILE 65 -8.306 5.357 -10.184
468 HD12 ILE 65 1HD1 ILE 65 -8.953 4.406 -8.832
469 HD13 ILE 65 2HD1 ILE 65 -9.603 4.192 -10.477
470 H LYS 66 H LYS 66 -12.980 7.119 -5.828
471 HA LYS 66 HA LYS 66 -15.134 5.346 -5.722
472 HB3 LYS 66 2HB LYS 66 -13.892 7.436 -3.917
473 HG3 LYS 66 2HG LYS 66 -16.461 5.924 -3.399
474 HD3 LYS 66 2HD LYS 66 -14.595 7.396 -1.511
475 HE3 LYS 66 2HE LYS 66 -16.858 8.204 -1.019
476 HZ1 LYS 66 3HZ LYS 66 -17.618 5.347 -0.922
477 HZ2 LYS 66 1HZ LYS 66 -18.381 6.593 -1.739
478 HZ3 LYS 66 2HZ LYS 66 -18.432 6.492 -0.108
479 H ALA 67 H ALA 67 -15.121 8.825 -5.522
480 HA ALA 67 HA ALA 67 -17.759 9.030 -6.853
481 HB1 ALA 67 1HB ALA 67 -18.273 8.787 -4.442
482 HB2 ALA 67 2HB ALA 67 -17.138 10.106 -4.051
483 HB3 ALA 67 3HB ALA 67 -18.605 10.436 -4.978
484 H GLY 68 H GLY 68 -14.674 9.807 -6.907
485 HA2 GLY 68 1HA GLY 68 -14.788 12.759 -6.766
486 HA3 GLY 68 2HA GLY 68 -13.356 11.786 -7.146
487 H ASN 69 H ASN 69 -16.468 12.962 -8.419
488 HA ASN 69 HA ASN 69 -15.370 12.877 -11.188
489 HB3 ASN 69 2HB ASN 69 -18.250 12.454 -10.397
490 HD21 ASN 69 1HD2 ASN 69 -19.566 13.310 -12.047
491 HD22 ASN 69 2HD2 ASN 69 -19.074 13.443 -13.702
492 H VAL 70 H VAL 70 -15.070 14.745 -11.828
493 HA VAL 70 HA VAL 70 -15.787 17.147 -10.487
494 HB VAL 70 HB VAL 70 -13.635 16.977 -11.327
495 HG11 VAL 70 1HG1 VAL 70 -14.743 16.204 -14.029
496 HG12 VAL 70 2HG1 VAL 70 -13.055 16.617 -13.725
497 HG13 VAL 70 3HG1 VAL 70 -13.740 15.219 -12.941
498 HG21 VAL 70 3HG2 VAL 70 -14.638 19.226 -11.681
499 HG22 VAL 70 1HG2 VAL 70 -13.305 18.869 -12.780
500 HG23 VAL 70 2HG2 VAL 70 -14.961 18.790 -13.367
501 H SER 71 H SER 71 -17.306 15.528 -12.981
502 HA SER 71 HA SER 71 -19.185 15.906 -14.282
503 HB3 SER 71 2HB SER 71 -20.415 17.862 -14.453
504 HG SER 71 HG SER 71 -19.189 18.183 -11.937
Start of MODEL 6
1 H1 SER 1 H SER 1 0.043 3.870 -16.070
2 HA SER 1 HA SER 1 -2.263 3.267 -15.538
3 HB3 SER 1 2HB SER 1 -2.743 3.670 -18.500
4 HG SER 1 HG SER 1 -4.650 3.571 -16.407
5 H ALA 2 H ALA 2 -0.621 1.566 -15.060
6 HA ALA 2 HA ALA 2 -0.700 -0.650 -17.043
7 HB1 ALA 2 1HB ALA 2 1.652 -1.180 -16.477
8 HB2 ALA 2 2HB ALA 2 1.504 0.414 -17.236
9 HB3 ALA 2 3HB ALA 2 1.745 0.281 -15.480
10 HA PRO 3 HA PRO 3 -2.256 -2.721 -13.522
11 HB3 PRO 3 2HB PRO 3 -3.010 -4.321 -15.031
12 HG3 PRO 3 2HG PRO 3 -1.588 -5.126 -16.774
13 HD3 PRO 3 2HD PRO 3 -1.680 -2.778 -17.017
14 H GLY 4 H GLY 4 -1.591 -3.220 -11.504
15 HA2 GLY 4 1HA GLY 4 -0.306 -3.807 -9.714
16 HA3 GLY 4 2HA GLY 4 0.707 -4.764 -10.809
17 H GLY 5 H GLY 5 2.358 -3.584 -12.082
18 HA2 GLY 5 1HA GLY 5 3.335 -1.019 -11.331
19 HA3 GLY 5 2HA GLY 5 4.194 -2.295 -10.442
20 H LYS 6 H LYS 6 6.125 -2.452 -11.531
21 HA LYS 6 HA LYS 6 6.051 -3.172 -14.414
22 HB3 LYS 6 2HB LYS 6 6.541 -0.752 -14.162
23 HG3 LYS 6 2HG LYS 6 9.230 -1.631 -13.026
24 HD3 LYS 6 2HD LYS 6 9.546 0.737 -12.559
25 HE3 LYS 6 2HE LYS 6 10.021 -0.335 -14.946
26 HZ1 LYS 6 3HZ LYS 6 7.828 0.302 -15.901
27 HZ2 LYS 6 1HZ LYS 6 9.089 1.011 -16.654
28 HZ3 LYS 6 2HZ LYS 6 8.135 1.873 -15.600
29 H SER 7 H SER 7 6.730 -4.504 -11.544
30 HA SER 7 HA SER 7 8.993 -6.037 -12.557
31 HB3 SER 7 2HB SER 7 9.418 -4.011 -10.332
32 HG SER 7 HG SER 7 10.985 -5.149 -9.776
33 H ARG 8 H ARG 8 7.135 -5.213 -9.534
34 HA ARG 8 HA ARG 8 6.666 -6.495 -7.698
35 HB3 ARG 8 2HB ARG 8 5.559 -8.710 -8.246
36 HG3 ARG 8 2HG ARG 8 4.327 -6.405 -9.744
37 HD3 ARG 8 2HD ARG 8 3.341 -8.956 -8.359
38 HE ARG 8 HE ARG 8 1.418 -7.721 -8.299
39 HH11 ARG 8 1HH1 ARG 8 2.801 -7.635 -11.565
40 HH12 ARG 8 2HH1 ARG 8 1.285 -7.439 -12.358
41 HH21 ARG 8 1HH2 ARG 8 -0.560 -7.601 -9.303
42 HH22 ARG 8 2HH2 ARG 8 -0.749 -7.480 -11.026
43 H ARG 9 H ARG 9 9.246 -6.569 -7.419
44 HA ARG 9 HA ARG 9 9.665 -9.119 -6.253
45 HB3 ARG 9 2HB ARG 9 10.215 -9.811 -8.589
46 HG3 ARG 9 2HG ARG 9 12.800 -8.339 -8.318
47 HD3 ARG 9 2HD ARG 9 12.240 -10.211 -9.986
48 HE ARG 9 HE ARG 9 10.220 -8.478 -10.813
49 HH11 ARG 9 1HH1 ARG 9 12.881 -10.216 -12.290
50 HH12 ARG 9 2HH1 ARG 9 12.259 -10.180 -13.902
51 HH21 ARG 9 1HH2 ARG 9 9.197 -8.593 -12.871
52 HH22 ARG 9 2HH2 ARG 9 10.021 -9.314 -14.201
53 H ARG 10 H ARG 10 12.079 -9.255 -5.436
54 HA ARG 10 HA ARG 10 12.987 -6.790 -4.251
55 HB3 ARG 10 2HB ARG 10 13.508 -8.821 -3.192
56 HG3 ARG 10 2HG ARG 10 15.562 -9.973 -4.890
57 HD3 ARG 10 2HD ARG 10 13.504 -10.914 -3.123
58 HE ARG 10 HE ARG 10 13.287 -12.005 -5.885
59 HH11 ARG 10 1HH1 ARG 10 12.518 -12.611 -2.449
60 HH12 ARG 10 2HH1 ARG 10 11.263 -13.708 -2.857
61 HH21 ARG 10 1HH2 ARG 10 11.494 -13.316 -6.334
62 HH22 ARG 10 2HH2 ARG 10 11.067 -14.467 -5.114
63 H ARG 11 H ARG 11 12.951 -5.326 -6.011
64 HA ARG 11 HA ARG 11 15.488 -4.881 -7.253
65 HB3 ARG 11 2HB ARG 11 13.474 -4.975 -9.465
66 HG3 ARG 11 2HG ARG 11 15.395 -6.440 -10.451
67 HD3 ARG 11 2HD ARG 11 15.032 -3.711 -10.549
68 HE ARG 11 HE ARG 11 17.892 -4.295 -9.836
69 HH11 ARG 11 1HH1 ARG 11 15.373 -1.911 -10.541
70 HH12 ARG 11 2HH1 ARG 11 16.418 -0.542 -10.395
71 HH21 ARG 11 1HH2 ARG 11 19.209 -2.582 -9.463
72 HH22 ARG 11 2HH2 ARG 11 18.666 -0.930 -9.409
73 H THR 12 H THR 12 13.390 -3.591 -5.517
74 HA THR 12 HA THR 12 13.602 -1.016 -6.384
75 HB THR 12 HB THR 12 11.767 -1.814 -8.039
76 HG1 THR 12 1HG THR 12 12.167 0.253 -7.828
77 HG21 THR 12 3HG2 THR 12 9.516 -1.930 -7.403
78 HG22 THR 12 1HG2 THR 12 9.832 -1.348 -5.770
79 HG23 THR 12 2HG2 THR 12 10.366 -2.976 -6.232
80 H ALA 13 H ALA 13 11.589 0.219 -4.999
81 HA ALA 13 HA ALA 13 12.382 0.104 -2.356
82 HB1 ALA 13 1HB ALA 13 10.320 1.438 -1.900
83 HB2 ALA 13 2HB ALA 13 11.201 1.998 -3.337
84 HB3 ALA 13 3HB ALA 13 9.725 1.033 -3.524
85 H PHE 14 H PHE 14 9.829 -1.875 -3.873
86 HA PHE 14 HA PHE 14 9.189 -3.113 -1.246
87 HB3 PHE 14 2HB PHE 14 6.969 -3.546 -2.076
88 HD1 PHE 14 1HD PHE 14 7.858 -0.502 -3.973
89 HD2 PHE 14 2HD PHE 14 6.143 -2.030 -0.347
90 HE1 PHE 14 1HE PHE 14 7.044 1.797 -3.399
91 HE2 PHE 14 2HE PHE 14 5.314 0.248 0.207
92 HZ PHE 14 HZ PHE 14 5.782 2.154 -1.285
93 H THR 15 H THR 15 9.359 -5.481 -1.251
94 HA THR 15 HA THR 15 10.470 -6.616 -3.718
95 HB THR 15 HB THR 15 10.921 -8.571 -2.512
96 HG1 THR 15 1HG THR 15 9.844 -7.447 -0.164
97 HG21 THR 15 3HG2 THR 15 12.422 -7.879 -0.706
98 HG22 THR 15 1HG2 THR 15 11.715 -6.256 -0.700
99 HG23 THR 15 2HG2 THR 15 12.601 -6.831 -2.117
100 H SER 16 H SER 16 9.467 -9.194 -3.809
101 HA SER 16 HA SER 16 6.693 -8.926 -4.551
102 HB3 SER 16 2HB SER 16 7.734 -10.409 -5.989
103 HG SER 16 HG SER 16 9.220 -11.937 -4.333
104 H GLU 17 H GLU 17 8.488 -9.861 -1.635
105 HA GLU 17 HA GLU 17 6.205 -11.202 -0.409
106 HB3 GLU 17 2HB GLU 17 7.470 -10.412 1.680
107 HG3 GLU 17 2HG GLU 17 7.767 -12.702 0.216
108 H GLN 18 H GLN 18 7.645 -7.909 -0.117
109 HA GLN 18 HA GLN 18 5.537 -6.876 1.401
110 HB3 GLN 18 2HB GLN 18 6.175 -4.609 0.273
111 HG3 GLN 18 2HG GLN 18 7.054 -5.793 2.532
112 HE21 GLN 18 1HE2 GLN 18 9.204 -5.577 3.709
113 HE22 GLN 18 2HE2 GLN 18 10.510 -6.428 2.925
114 H LEU 19 H LEU 19 5.696 -6.845 -2.228
115 HA LEU 19 HA LEU 19 3.139 -5.429 -2.294
116 HB3 LEU 19 2HB LEU 19 3.306 -5.954 -4.783
117 HG LEU 19 HG LEU 19 5.817 -4.777 -3.550
118 HD11 LEU 19 1HD1 LEU 19 6.115 -3.698 -5.727
119 HD12 LEU 19 2HD1 LEU 19 4.679 -4.544 -6.348
120 HD13 LEU 19 3HD1 LEU 19 6.096 -5.489 -5.836
121 HD21 LEU 19 3HD2 LEU 19 3.915 -3.469 -2.799
122 HD22 LEU 19 1HD2 LEU 19 3.257 -3.407 -4.456
123 HD23 LEU 19 2HD2 LEU 19 4.773 -2.569 -4.043
124 H LEU 20 H LEU 20 3.869 -8.792 -1.988
125 HA LEU 20 HA LEU 20 1.162 -9.703 -2.760
126 HB3 LEU 20 2HB LEU 20 3.424 -10.916 -1.136
127 HG LEU 20 HG LEU 20 1.234 -11.721 -0.187
128 HD11 LEU 20 1HD1 LEU 20 0.848 -12.824 -3.012
129 HD12 LEU 20 2HD1 LEU 20 -0.155 -11.577 -2.230
130 HD13 LEU 20 3HD1 LEU 20 -0.145 -13.217 -1.581
131 HD21 LEU 20 3HD2 LEU 20 2.798 -13.842 -1.710
132 HD22 LEU 20 1HD2 LEU 20 1.849 -14.036 -0.229
133 HD23 LEU 20 2HD2 LEU 20 3.321 -13.068 -0.174
134 H GLU 21 H GLU 21 2.964 -8.988 0.243
135 HA GLU 21 HA GLU 21 0.830 -9.506 2.017
136 HB3 GLU 21 2HB GLU 21 2.405 -8.395 3.625
137 HG3 GLU 21 2HG GLU 21 4.526 -9.869 2.677
138 H LEU 22 H LEU 22 1.695 -6.592 0.312
139 HA LEU 22 HA LEU 22 0.264 -4.798 2.102
140 HB3 LEU 22 2HB LEU 22 0.605 -3.381 -0.212
141 HG LEU 22 HG LEU 22 1.620 -2.419 1.599
142 HD11 LEU 22 1HD1 LEU 22 2.044 -4.265 3.089
143 HD12 LEU 22 2HD1 LEU 22 3.515 -3.317 2.903
144 HD13 LEU 22 3HD1 LEU 22 3.353 -4.858 2.050
145 HD21 LEU 22 3HD2 LEU 22 2.944 -2.130 -0.494
146 HD22 LEU 22 1HD2 LEU 22 3.894 -3.568 -0.105
147 HD23 LEU 22 2HD2 LEU 22 4.026 -2.123 0.906
148 H GLU 23 H GLU 23 -0.642 -6.306 -1.048
149 HA GLU 23 HA GLU 23 -3.025 -4.687 -1.292
150 HB3 GLU 23 2HB GLU 23 -2.123 -5.721 -3.244
151 HG3 GLU 23 2HG GLU 23 -2.259 -8.233 -1.589
152 H LYS 24 H LYS 24 -2.301 -7.335 0.694
153 HA LYS 24 HA LYS 24 -4.907 -8.385 1.312
154 HB3 LYS 24 2HB LYS 24 -3.507 -8.327 3.695
155 HG3 LYS 24 2HG LYS 24 -4.263 -10.418 2.275
156 HD3 LYS 24 2HD LYS 24 -1.993 -11.686 1.807
157 HE3 LYS 24 2HE LYS 24 -1.838 -10.783 -0.593
158 HZ1 LYS 24 3HZ LYS 24 -4.055 -11.662 -1.143
159 HZ2 LYS 24 1HZ LYS 24 -4.413 -11.785 0.457
160 HZ3 LYS 24 2HZ LYS 24 -3.196 -12.680 -0.202
161 H GLU 25 H GLU 25 -3.236 -5.334 2.316
162 HA GLU 25 HA GLU 25 -4.813 -4.809 4.528
163 HB3 GLU 25 2HB GLU 25 -2.693 -3.671 3.856
164 HG3 GLU 25 2HG GLU 25 -3.714 -2.869 1.527
165 H PHE 26 H PHE 26 -5.453 -4.073 1.186
166 HA PHE 26 HA PHE 26 -7.612 -2.234 1.874
167 HB3 PHE 26 2HB PHE 26 -6.817 -3.056 -0.940
168 HD1 PHE 26 2HD PHE 26 -6.806 0.020 1.209
169 HD2 PHE 26 1HD PHE 26 -8.423 -1.892 -2.301
170 HE1 PHE 26 2HE PHE 26 -8.013 2.097 0.653
171 HE2 PHE 26 1HE PHE 26 -9.623 0.215 -2.884
172 HZ PHE 26 HZ PHE 26 -9.434 2.194 -1.399
173 H HIS 27 H HIS 27 -7.537 -5.493 1.670
174 HA HIS 27 HA HIS 27 -9.686 -6.106 -0.133
175 HB3 HIS 27 2HB HIS 27 -8.630 -7.810 2.168
176 HD1 HIS 27 1HD HIS 27 -9.211 -8.544 -1.619
177 HD2 HIS 27 2HD HIS 27 -10.601 -9.583 2.233
178 HE1 HIS 27 1HE HIS 27 -10.766 -10.516 -1.926
179 H CYS 28 H CYS 28 -9.594 -6.381 3.491
180 HA CYS 28 HA CYS 28 -12.489 -5.907 3.634
181 HB3 CYS 28 2HB CYS 28 -12.178 -6.322 6.032
182 HG CYS 28 HG CYS 28 -12.772 -8.358 4.520
183 H LYS 29 H LYS 29 -9.431 -4.540 5.042
184 HA LYS 29 HA LYS 29 -10.921 -2.261 6.054
185 HB3 LYS 29 2HB LYS 29 -8.902 -1.511 7.043
186 HG3 LYS 29 2HG LYS 29 -7.825 -3.356 8.139
187 HD3 LYS 29 2HD LYS 29 -10.716 -4.220 7.799
188 HE3 LYS 29 2HE LYS 29 -8.726 -4.401 10.109
189 HZ1 LYS 29 3HZ LYS 29 -10.357 -5.902 11.032
190 HZ2 LYS 29 1HZ LYS 29 -11.408 -5.625 9.781
191 HZ3 LYS 29 2HZ LYS 29 -11.048 -4.433 10.828
192 H LYS 30 H LYS 30 -9.988 0.030 5.613
193 HA LYS 30 HA LYS 30 -8.997 0.339 2.829
194 HB3 LYS 30 2HB LYS 30 -10.616 2.199 2.448
195 HG3 LYS 30 2HG LYS 30 -12.778 0.934 2.396
196 HD3 LYS 30 2HD LYS 30 -10.335 -0.444 1.184
197 HE3 LYS 30 2HE LYS 30 -12.076 -1.360 -0.432
198 HZ1 LYS 30 3HZ LYS 30 -11.017 -2.798 1.166
199 HZ2 LYS 30 1HZ LYS 30 -12.540 -3.272 0.862
200 HZ3 LYS 30 2HZ LYS 30 -12.169 -2.529 2.292
201 H TYR 31 H TYR 31 -9.003 1.443 6.196
202 HA TYR 31 HA TYR 31 -6.821 3.266 5.527
203 HB3 TYR 31 2HB TYR 31 -7.661 4.897 7.218
204 HD1 TYR 31 2HD TYR 31 -10.508 3.761 5.017
205 HD2 TYR 31 1HD TYR 31 -7.684 6.874 5.951
206 HE1 TYR 31 2HE TYR 31 -11.540 5.191 3.304
207 HE2 TYR 31 1HE TYR 31 -8.787 8.356 4.304
208 HH TYR 31 HH TYR 31 -10.513 8.561 2.643
209 H LEU 32 H LEU 32 -5.286 3.350 7.226
210 HA LEU 32 HA LEU 32 -5.616 1.331 9.402
211 HB3 LEU 32 2HB LEU 32 -3.214 1.643 9.819
212 HG LEU 32 HG LEU 32 -3.493 1.241 6.841
213 HD11 LEU 32 1HD1 LEU 32 -1.208 1.532 7.827
214 HD12 LEU 32 2HD1 LEU 32 -1.451 -0.069 7.122
215 HD13 LEU 32 3HD1 LEU 32 -1.527 0.125 8.869
216 HD21 LEU 32 3HD2 LEU 32 -3.868 -0.821 9.073
217 HD22 LEU 32 1HD2 LEU 32 -3.745 -1.199 7.356
218 HD23 LEU 32 2HD2 LEU 32 -5.117 -0.277 7.938
219 H SER 33 H SER 33 -4.522 2.055 11.458
220 HA SER 33 HA SER 33 -5.019 4.894 12.150
221 HB3 SER 33 2HB SER 33 -5.212 2.660 14.155
222 HG SER 33 HG SER 33 -6.299 4.143 15.263
223 H LEU 34 H LEU 34 -3.791 5.136 14.355
224 HA LEU 34 HA LEU 34 -1.136 5.526 13.612
225 HB3 LEU 34 2HB LEU 34 -1.740 5.310 16.552
226 HG LEU 34 HG LEU 34 -0.808 7.508 14.697
227 HD11 LEU 34 1HD1 LEU 34 -2.177 8.497 16.466
228 HD12 LEU 34 2HD1 LEU 34 -0.459 8.879 16.772
229 HD13 LEU 34 3HD1 LEU 34 -1.289 7.625 17.695
230 HD21 LEU 34 3HD2 LEU 34 0.983 5.897 15.147
231 HD22 LEU 34 1HD2 LEU 34 0.670 5.977 16.886
232 HD23 LEU 34 2HD2 LEU 34 1.324 7.386 16.032
233 H THR 35 H THR 35 -2.526 3.082 15.750
234 HA THR 35 HA THR 35 -0.129 1.611 16.271
235 HB THR 35 HB THR 35 -3.042 0.720 16.414
236 HG1 THR 35 1HG THR 35 -1.429 1.904 18.436
237 HG21 THR 35 3HG2 THR 35 -2.252 -0.730 18.270
238 HG22 THR 35 1HG2 THR 35 -0.576 -0.250 17.924
239 HG23 THR 35 2HG2 THR 35 -1.511 -1.172 16.728
240 H GLU 36 H GLU 36 -2.896 0.967 13.988
241 HA GLU 36 HA GLU 36 -1.833 -1.501 13.106
242 HB3 GLU 36 2HB GLU 36 -3.367 -1.274 11.186
243 HG3 GLU 36 2HG GLU 36 -4.554 -0.407 13.849
244 H ARG 37 H ARG 37 -1.202 1.786 11.913
245 HA ARG 37 HA ARG 37 0.370 0.929 9.633
246 HB3 ARG 37 2HB ARG 37 0.177 3.551 11.165
247 HG3 ARG 37 2HG ARG 37 1.655 2.845 8.608
248 HD3 ARG 37 2HD ARG 37 0.073 4.590 7.988
249 HE ARG 37 HE ARG 37 0.815 5.864 10.510
250 HH11 ARG 37 1HH1 ARG 37 -0.371 6.564 7.181
251 HH12 ARG 37 2HH1 ARG 37 -1.017 8.104 7.666
252 HH21 ARG 37 1HH2 ARG 37 -0.159 7.937 11.022
253 HH22 ARG 37 2HH2 ARG 37 -1.055 8.774 9.805
254 H SER 38 H SER 38 1.134 1.354 13.070
255 HA SER 38 HA SER 38 4.014 1.021 12.737
256 HB3 SER 38 2HB SER 38 2.043 0.907 15.051
257 HG SER 38 HG SER 38 4.796 0.264 15.155
258 H GLN 39 H GLN 39 1.197 -1.189 13.318
259 HA GLN 39 HA GLN 39 2.837 -3.480 13.611
260 HB3 GLN 39 2HB GLN 39 0.917 -4.829 13.445
261 HG3 GLN 39 2HG GLN 39 -0.391 -2.392 14.603
262 HE21 GLN 39 1HE2 GLN 39 -1.144 -5.413 14.035
263 HE22 GLN 39 2HE2 GLN 39 -1.817 -5.824 15.590
264 H ILE 40 H ILE 40 0.878 -2.571 10.689
265 HA ILE 40 HA ILE 40 1.943 -4.585 9.019
266 HB ILE 40 HB ILE 40 0.683 -1.894 8.501
267 HG13 ILE 40 2HG1 ILE 40 -0.440 -4.306 9.200
268 HG21 ILE 40 1HG2 ILE 40 0.461 -2.425 6.094
269 HG22 ILE 40 2HG2 ILE 40 2.163 -2.236 6.539
270 HG23 ILE 40 3HG2 ILE 40 1.482 -3.857 6.313
271 HD11 ILE 40 3HD1 ILE 40 -1.727 -2.356 7.278
272 HD12 ILE 40 1HD1 ILE 40 -2.563 -3.553 8.281
273 HD13 ILE 40 2HD1 ILE 40 -1.706 -2.211 9.059
274 H ALA 41 H ALA 41 3.409 -1.461 9.925
275 HA ALA 41 HA ALA 41 5.456 -1.608 7.914
276 HB1 ALA 41 1HB ALA 41 5.502 -0.161 10.588
277 HB2 ALA 41 2HB ALA 41 6.663 0.039 9.249
278 HB3 ALA 41 3HB ALA 41 4.973 0.506 9.023
279 H HIS 42 H HIS 42 5.537 -2.615 11.425
280 HA HIS 42 HA HIS 42 8.233 -3.672 11.107
281 HB3 HIS 42 2HB HIS 42 7.472 -4.964 13.274
282 HD1 HIS 42 1HD HIS 42 8.598 -3.982 15.457
283 HD2 HIS 42 2HD HIS 42 8.048 -1.245 12.282
284 HE1 HIS 42 1HE HIS 42 9.906 -1.893 16.065
285 H ALA 43 H ALA 43 4.975 -5.171 11.011
286 HA ALA 43 HA ALA 43 5.580 -7.839 10.838
287 HB1 ALA 43 1HB ALA 43 3.506 -6.333 9.172
288 HB2 ALA 43 2HB ALA 43 3.468 -8.059 9.597
289 HB3 ALA 43 3HB ALA 43 3.282 -6.819 10.854
290 H LEU 44 H LEU 44 5.805 -5.418 8.301
291 HA LEU 44 HA LEU 44 6.783 -7.434 6.329
292 HB3 LEU 44 2HB LEU 44 5.840 -5.979 4.648
293 HG LEU 44 HG LEU 44 3.803 -6.401 6.885
294 HD11 LEU 44 1HD1 LEU 44 3.094 -4.900 5.082
295 HD12 LEU 44 2HD1 LEU 44 2.161 -6.404 5.122
296 HD13 LEU 44 3HD1 LEU 44 3.429 -6.189 3.898
297 HD21 LEU 44 3HD2 LEU 44 3.277 -8.524 5.711
298 HD22 LEU 44 1HD2 LEU 44 4.875 -8.550 6.408
299 HD23 LEU 44 2HD2 LEU 44 4.704 -8.294 4.668
300 H LYS 45 H LYS 45 8.276 -5.682 8.435
301 HA LYS 45 HA LYS 45 10.178 -4.530 8.618
302 HB3 LYS 45 2HB LYS 45 10.986 -6.127 6.150
303 HG3 LYS 45 2HG LYS 45 12.473 -4.672 8.312
304 HD3 LYS 45 2HD LYS 45 13.258 -7.431 7.278
305 HE3 LYS 45 2HE LYS 45 14.841 -5.315 8.790
306 HZ1 LYS 45 3HZ LYS 45 15.254 -7.325 9.849
307 HZ2 LYS 45 1HZ LYS 45 16.541 -7.083 8.860
308 HZ3 LYS 45 2HZ LYS 45 15.388 -8.198 8.458
309 H LEU 46 H LEU 46 8.271 -2.999 7.459
310 HA LEU 46 HA LEU 46 9.680 -1.270 5.509
311 HB3 LEU 46 2HB LEU 46 7.206 -0.403 5.187
312 HG LEU 46 HG LEU 46 8.155 -3.117 4.267
313 HD11 LEU 46 1HD1 LEU 46 5.942 -3.609 4.045
314 HD12 LEU 46 2HD1 LEU 46 6.094 -2.676 2.554
315 HD13 LEU 46 3HD1 LEU 46 5.412 -1.939 4.039
316 HD21 LEU 46 3HD2 LEU 46 9.329 -1.237 3.312
317 HD22 LEU 46 1HD2 LEU 46 7.815 -0.463 2.826
318 HD23 LEU 46 2HD2 LEU 46 8.328 -1.991 2.076
319 H SER 47 H SER 47 8.553 1.050 5.834
320 HA SER 47 HA SER 47 8.786 1.791 8.731
321 HB3 SER 47 2HB SER 47 9.906 3.810 8.115
322 HG SER 47 HG SER 47 11.685 2.809 7.787
323 H GLU 48 H GLU 48 7.524 3.767 9.306
324 HA GLU 48 HA GLU 48 4.833 3.447 8.533
325 HB3 GLU 48 2HB GLU 48 4.476 5.587 9.719
326 HG3 GLU 48 2HG GLU 48 6.405 3.875 11.315
327 H VAL 49 H VAL 49 7.311 5.424 7.126
328 HA VAL 49 HA VAL 49 5.585 7.287 5.640
329 HB VAL 49 HB VAL 49 8.542 6.570 5.622
330 HG11 VAL 49 1HG1 VAL 49 7.112 8.435 3.660
331 HG12 VAL 49 2HG1 VAL 49 8.870 8.390 3.915
332 HG13 VAL 49 3HG1 VAL 49 8.051 6.982 3.248
333 HG21 VAL 49 3HG2 VAL 49 7.587 8.160 7.337
334 HG22 VAL 49 1HG2 VAL 49 8.785 8.921 6.261
335 HG23 VAL 49 2HG2 VAL 49 7.055 9.189 5.985
336 H GLN 50 H GLN 50 7.443 4.210 4.935
337 HA GLN 50 HA GLN 50 6.671 4.139 2.213
338 HB3 GLN 50 2HB GLN 50 7.492 1.945 2.188
339 HG3 GLN 50 2HG GLN 50 9.152 2.689 4.544
340 HE21 GLN 50 1HE2 GLN 50 9.697 3.137 1.072
341 HE22 GLN 50 2HE2 GLN 50 10.990 1.955 0.930
342 H VAL 51 H VAL 51 5.190 2.809 5.200
343 HA VAL 51 HA VAL 51 3.114 1.498 3.675
344 HB VAL 51 HB VAL 51 3.068 2.084 6.659
345 HG11 VAL 51 1HG1 VAL 51 1.607 0.115 6.780
346 HG12 VAL 51 2HG1 VAL 51 0.907 1.244 5.628
347 HG13 VAL 51 3HG1 VAL 51 1.788 -0.173 5.032
348 HG21 VAL 51 3HG2 VAL 51 3.948 -0.236 6.922
349 HG22 VAL 51 1HG2 VAL 51 4.209 -0.333 5.178
350 HG23 VAL 51 2HG2 VAL 51 5.136 0.810 6.153
351 H LYS 52 H LYS 52 3.386 4.670 5.235
352 HA LYS 52 HA LYS 52 0.689 5.517 4.766
353 HB3 LYS 52 2HB LYS 52 3.374 6.892 5.031
354 HG3 LYS 52 2HG LYS 52 1.434 8.706 5.753
355 HD3 LYS 52 2HD LYS 52 2.599 9.017 2.985
356 HE3 LYS 52 2HE LYS 52 2.638 10.616 5.564
357 HZ1 LYS 52 3HZ LYS 52 2.736 12.506 3.997
358 HZ2 LYS 52 1HZ LYS 52 3.130 11.502 2.777
359 HZ3 LYS 52 2HZ LYS 52 4.121 11.626 4.129
360 H ILE 53 H ILE 53 3.638 5.938 2.727
361 HA ILE 53 HA ILE 53 2.304 7.307 0.659
362 HB ILE 53 HB ILE 53 4.936 5.786 0.796
363 HG13 ILE 53 2HG1 ILE 53 4.709 7.862 2.205
364 HG21 ILE 53 1HG2 ILE 53 5.572 6.854 -1.338
365 HG22 ILE 53 2HG2 ILE 53 4.194 5.805 -1.571
366 HG23 ILE 53 3HG2 ILE 53 3.949 7.566 -1.475
367 HD11 ILE 53 3HD1 ILE 53 6.528 9.154 1.485
368 HD12 ILE 53 1HD1 ILE 53 6.917 7.465 1.070
369 HD13 ILE 53 2HD1 ILE 53 6.390 8.613 -0.192
370 H TRP 54 H TRP 54 3.088 3.777 0.886
371 HA TRP 54 HA TRP 54 1.987 3.125 -1.644
372 HB3 TRP 54 2HB TRP 54 1.919 1.334 0.794
373 HD1 TRP 54 HD TRP 54 3.643 0.342 -2.405
374 HE1 TRP 54 1HE TRP 54 2.387 -1.562 -3.540
375 HE3 TRP 54 3HE TRP 54 -0.557 0.395 0.479
376 HZ2 TRP 54 2HZ TRP 54 -0.248 -3.003 -3.167
377 HZ3 TRP 54 3HZ TRP 54 -2.284 -1.316 0.185
378 HH2 TRP 54 HH TRP 54 -2.194 -2.909 -1.683
379 H PHE 55 H PHE 55 0.361 3.237 1.566
380 HA PHE 55 HA PHE 55 -2.214 2.356 0.645
381 HB3 PHE 55 2HB PHE 55 -2.924 3.431 2.822
382 HD1 PHE 55 2HD PHE 55 0.194 1.223 2.402
383 HD2 PHE 55 1HD PHE 55 -3.633 1.802 4.331
384 HE1 PHE 55 2HE PHE 55 0.342 -0.991 3.465
385 HE2 PHE 55 1HE PHE 55 -3.453 -0.413 5.301
386 HZ PHE 55 HZ PHE 55 -1.438 -1.806 4.947
387 H GLN 56 H GLN 56 -0.712 5.564 1.095
388 HA GLN 56 HA GLN 56 -2.921 7.292 0.567
389 HB3 GLN 56 2HB GLN 56 -0.884 8.618 -0.605
390 HG3 GLN 56 2HG GLN 56 -0.786 8.246 2.410
391 HE21 GLN 56 1HE2 GLN 56 1.187 9.223 -0.053
392 HE22 GLN 56 2HE2 GLN 56 1.814 10.680 0.658
393 H ASN 57 H ASN 57 -0.503 5.746 -1.661
394 HA ASN 57 HA ASN 57 -1.608 6.963 -3.963
395 HB3 ASN 57 2HB ASN 57 -0.006 5.273 -5.025
396 HD21 ASN 57 1HD2 ASN 57 2.702 5.695 -3.489
397 HD22 ASN 57 2HD2 ASN 57 2.963 7.390 -3.666
398 H ARG 58 H ARG 58 -2.103 3.828 -2.428
399 HA ARG 58 HA ARG 58 -3.960 2.723 -4.303
400 HB3 ARG 58 2HB ARG 58 -4.832 1.733 -1.942
401 HG3 ARG 58 2HG ARG 58 -2.382 0.471 -2.051
402 HD3 ARG 58 2HD ARG 58 -4.828 0.107 -3.797
403 HE ARG 58 HE ARG 58 -2.569 -1.118 -4.462
404 HH11 ARG 58 1HH1 ARG 58 -5.480 -2.308 -2.850
405 HH12 ARG 58 2HH1 ARG 58 -5.580 -3.800 -3.710
406 HH21 ARG 58 1HH2 ARG 58 -2.641 -3.163 -5.641
407 HH22 ARG 58 2HH2 ARG 58 -3.777 -4.372 -5.140
408 H ARG 59 H ARG 59 -4.660 4.749 -1.352
409 HA ARG 59 HA ARG 59 -7.447 4.812 -1.878
410 HB3 ARG 59 2HB ARG 59 -7.448 6.902 -0.437
411 HG3 ARG 59 2HG ARG 59 -5.972 4.484 0.643
412 HD3 ARG 59 2HD ARG 59 -7.890 6.247 2.181
413 HE ARG 59 HE ARG 59 -6.795 4.025 2.957
414 HH11 ARG 59 1HH1 ARG 59 -5.658 7.242 3.943
415 HH12 ARG 59 2HH1 ARG 59 -4.337 6.626 4.884
416 HH21 ARG 59 1HH2 ARG 59 -4.998 3.255 3.951
417 HH22 ARG 59 2HH2 ARG 59 -4.117 4.220 5.123
418 H ALA 60 H ALA 60 -4.877 7.025 -3.023
419 HA ALA 60 HA ALA 60 -6.592 8.956 -4.157
420 HB1 ALA 60 1HB ALA 60 -4.129 9.224 -3.938
421 HB2 ALA 60 2HB ALA 60 -3.889 7.994 -5.208
422 HB3 ALA 60 3HB ALA 60 -4.680 9.539 -5.597
423 H LYS 61 H LYS 61 -5.140 6.055 -5.758
424 HA LYS 61 HA LYS 61 -6.578 6.387 -8.188
425 HB3 LYS 61 2HB LYS 61 -5.580 3.783 -6.936
426 HG3 LYS 61 2HG LYS 61 -6.460 4.628 -9.723
427 HD3 LYS 61 2HD LYS 61 -4.786 2.166 -9.091
428 HE3 LYS 61 2HE LYS 61 -6.042 3.387 -11.581
429 HZ1 LYS 61 3HZ LYS 61 -4.037 1.209 -11.551
430 HZ2 LYS 61 1HZ LYS 61 -3.764 2.737 -12.048
431 HZ3 LYS 61 2HZ LYS 61 -4.859 1.793 -12.846
432 H TRP 62 H TRP 62 -7.444 4.599 -5.209
433 HA TRP 62 HA TRP 62 -9.875 3.465 -6.095
434 HB3 TRP 62 2HB TRP 62 -8.932 4.466 -3.396
435 HD1 TRP 62 HD TRP 62 -11.617 1.926 -4.520
436 HE1 TRP 62 1HE TRP 62 -13.422 1.800 -2.741
437 HE3 TRP 62 3HE TRP 62 -9.887 5.607 -1.428
438 HZ2 TRP 62 2HZ TRP 62 -14.000 3.103 -0.180
439 HZ3 TRP 62 3HZ TRP 62 -11.098 6.169 0.654
440 HH2 TRP 62 HH TRP 62 -13.159 4.934 1.288
441 H LYS 63 H LYS 63 -9.445 6.661 -4.394
442 HA LYS 63 HA LYS 63 -12.146 7.461 -4.706
443 HB3 LYS 63 2HB LYS 63 -11.059 9.836 -4.489
444 HG3 LYS 63 2HG LYS 63 -10.230 9.300 -2.099
445 HD3 LYS 63 2HD LYS 63 -13.080 8.501 -2.833
446 HE3 LYS 63 2HE LYS 63 -11.732 9.438 -0.277
447 HZ1 LYS 63 3HZ LYS 63 -13.826 10.621 -0.603
448 HZ2 LYS 63 1HZ LYS 63 -13.872 9.616 0.699
449 HZ3 LYS 63 2HZ LYS 63 -14.648 9.193 -0.670
450 H ARG 64 H ARG 64 -9.431 7.718 -7.050
451 HA ARG 64 HA ARG 64 -10.837 9.590 -8.716
452 HB3 ARG 64 2HB ARG 64 -9.037 8.649 -10.414
453 HG3 ARG 64 2HG ARG 64 -8.203 10.143 -7.879
454 HD3 ARG 64 2HD ARG 64 -6.876 9.718 -10.584
455 HE ARG 64 HE ARG 64 -5.783 11.591 -8.553
456 HH11 ARG 64 1HH1 ARG 64 -7.178 11.254 -11.820
457 HH12 ARG 64 2HH1 ARG 64 -6.085 12.430 -12.510
458 HH21 ARG 64 1HH2 ARG 64 -4.720 13.434 -9.398
459 HH22 ARG 64 2HH2 ARG 64 -4.971 13.938 -11.023
460 H ILE 65 H ILE 65 -11.069 6.316 -8.221
461 HA ILE 65 HA ILE 65 -12.552 5.900 -10.721
462 HB ILE 65 HB ILE 65 -11.607 3.877 -8.667
463 HG13 ILE 65 2HG1 ILE 65 -9.815 5.002 -10.124
464 HG21 ILE 65 1HG2 ILE 65 -12.785 3.322 -11.432
465 HG22 ILE 65 2HG2 ILE 65 -12.345 2.132 -10.188
466 HG23 ILE 65 3HG2 ILE 65 -13.721 3.213 -9.944
467 HD11 ILE 65 3HD1 ILE 65 -8.666 3.025 -10.832
468 HD12 ILE 65 1HD1 ILE 65 -9.459 2.676 -9.279
469 HD13 ILE 65 2HD1 ILE 65 -10.145 2.060 -10.805
470 H LYS 66 H LYS 66 -13.021 5.491 -7.208
471 HA LYS 66 HA LYS 66 -15.812 4.850 -7.627
472 HB3 LYS 66 2HB LYS 66 -14.345 3.734 -5.968
473 HG3 LYS 66 2HG LYS 66 -13.522 6.056 -5.026
474 HD3 LYS 66 2HD LYS 66 -15.688 6.646 -4.005
475 HE3 LYS 66 2HE LYS 66 -15.814 5.489 -1.588
476 HZ1 LYS 66 3HZ LYS 66 -17.643 5.750 -3.190
477 HZ2 LYS 66 1HZ LYS 66 -17.730 4.411 -2.274
478 HZ3 LYS 66 2HZ LYS 66 -17.286 4.277 -3.841
479 H ALA 67 H ALA 67 -14.226 7.834 -6.993
480 HA ALA 67 HA ALA 67 -16.850 9.073 -6.305
481 HB1 ALA 67 1HB ALA 67 -14.084 9.994 -5.410
482 HB2 ALA 67 2HB ALA 67 -15.644 10.706 -4.980
483 HB3 ALA 67 3HB ALA 67 -15.239 9.087 -4.394
484 H GLY 68 H GLY 68 -14.004 9.047 -8.342
485 HA2 GLY 68 1HA GLY 68 -13.729 10.007 -10.447
486 HA3 GLY 68 2HA GLY 68 -15.267 10.853 -10.240
487 H ASN 69 H ASN 69 -11.891 11.101 -10.041
488 HA ASN 69 HA ASN 69 -10.425 12.787 -9.415
489 HB3 ASN 69 2HB ASN 69 -11.358 14.857 -10.918
490 HD21 ASN 69 1HD2 ASN 69 -8.858 14.218 -10.247
491 HD22 ASN 69 2HD2 ASN 69 -8.028 13.556 -11.632
492 H VAL 70 H VAL 70 -10.846 12.977 -7.228
493 HA VAL 70 HA VAL 70 -12.807 14.839 -6.250
494 HB VAL 70 HB VAL 70 -12.184 12.715 -5.187
495 HG11 VAL 70 1HG1 VAL 70 -9.647 14.021 -4.198
496 HG12 VAL 70 2HG1 VAL 70 -10.264 12.408 -3.814
497 HG13 VAL 70 3HG1 VAL 70 -9.715 12.779 -5.460
498 HG21 VAL 70 3HG2 VAL 70 -11.843 15.082 -3.329
499 HG22 VAL 70 1HG2 VAL 70 -13.372 14.362 -3.854
500 HG23 VAL 70 2HG2 VAL 70 -12.211 13.442 -2.857
501 H SER 71 H SER 71 -9.985 15.581 -7.708
502 HA SER 71 HA SER 71 -8.132 16.780 -7.468
503 HB3 SER 71 2HB SER 71 -7.884 18.641 -5.899
504 HG SER 71 HG SER 71 -9.167 20.015 -7.087
Start of MODEL 7
1 H1 SER 1 H SER 1 12.264 7.120 -17.089
2 HA SER 1 HA SER 1 10.556 7.560 -15.320
3 HB3 SER 1 2HB SER 1 9.150 8.890 -16.785
4 HG SER 1 HG SER 1 10.830 10.003 -17.703
5 H ALA 2 H ALA 2 9.726 5.746 -14.201
6 HA ALA 2 HA ALA 2 8.676 3.844 -13.769
7 HB1 ALA 2 1HB ALA 2 6.426 5.149 -15.313
8 HB2 ALA 2 2HB ALA 2 6.262 3.882 -14.095
9 HB3 ALA 2 3HB ALA 2 6.853 5.485 -13.616
10 HA PRO 3 HA PRO 3 9.325 2.057 -18.038
11 HB3 PRO 3 2HB PRO 3 11.629 2.107 -17.882
12 HG3 PRO 3 2HG PRO 3 12.749 1.874 -15.781
13 HD3 PRO 3 2HD PRO 3 11.260 3.712 -15.637
14 H GLY 4 H GLY 4 8.775 0.705 -14.843
15 HA2 GLY 4 1HA GLY 4 6.842 -0.853 -14.869
16 HA3 GLY 4 2HA GLY 4 7.789 -1.872 -15.977
17 H GLY 5 H GLY 5 9.771 -2.810 -15.202
18 HA2 GLY 5 1HA GLY 5 11.297 -2.843 -13.102
19 HA3 GLY 5 2HA GLY 5 9.781 -3.215 -12.263
20 H LYS 6 H LYS 6 10.976 -5.164 -11.705
21 HA LYS 6 HA LYS 6 10.996 -7.414 -13.583
22 HB3 LYS 6 2HB LYS 6 11.030 -8.731 -11.373
23 HG3 LYS 6 2HG LYS 6 13.234 -7.980 -10.625
24 HD3 LYS 6 2HD LYS 6 13.182 -8.112 -13.650
25 HE3 LYS 6 2HE LYS 6 15.194 -9.624 -13.049
26 HZ1 LYS 6 3HZ LYS 6 15.614 -6.759 -12.447
27 HZ2 LYS 6 1HZ LYS 6 15.534 -7.447 -13.973
28 HZ3 LYS 6 2HZ LYS 6 16.701 -7.884 -12.945
29 H SER 7 H SER 7 8.421 -5.577 -12.899
30 HA SER 7 HA SER 7 6.266 -5.732 -12.500
31 HB3 SER 7 2HB SER 7 4.952 -7.613 -13.194
32 HG SER 7 HG SER 7 5.834 -7.798 -15.320
33 H ARG 8 H ARG 8 6.986 -9.062 -11.137
34 HA ARG 8 HA ARG 8 5.842 -7.912 -8.629
35 HB3 ARG 8 2HB ARG 8 4.944 -10.602 -9.645
36 HG3 ARG 8 2HG ARG 8 3.928 -8.576 -7.786
37 HD3 ARG 8 2HD ARG 8 1.502 -8.857 -8.520
38 HE ARG 8 HE ARG 8 2.605 -7.318 -10.698
39 HH11 ARG 8 1HH1 ARG 8 1.652 -7.219 -7.249
40 HH12 ARG 8 2HH1 ARG 8 1.413 -5.502 -7.271
41 HH21 ARG 8 1HH2 ARG 8 2.543 -4.965 -10.572
42 HH22 ARG 8 2HH2 ARG 8 2.172 -4.224 -9.068
43 H ARG 9 H ARG 9 8.331 -7.981 -8.187
44 HA ARG 9 HA ARG 9 8.845 -10.322 -6.511
45 HB3 ARG 9 2HB ARG 9 10.307 -9.780 -9.086
46 HG3 ARG 9 2HG ARG 9 11.549 -11.258 -6.736
47 HD3 ARG 9 2HD ARG 9 13.280 -11.915 -8.466
48 HE ARG 9 HE ARG 9 10.627 -13.185 -9.004
49 HH11 ARG 9 1HH1 ARG 9 13.954 -13.633 -7.996
50 HH12 ARG 9 2HH1 ARG 9 13.739 -15.247 -7.494
51 HH21 ARG 9 1HH2 ARG 9 10.435 -15.416 -8.526
52 HH22 ARG 9 2HH2 ARG 9 11.617 -16.244 -7.569
53 H ARG 10 H ARG 10 10.806 -9.975 -5.223
54 HA ARG 10 HA ARG 10 11.007 -7.410 -4.103
55 HB3 ARG 10 2HB ARG 10 11.406 -9.527 -2.887
56 HG3 ARG 10 2HG ARG 10 13.964 -9.743 -4.515
57 HD3 ARG 10 2HD ARG 10 13.267 -10.969 -1.819
58 HE ARG 10 HE ARG 10 14.772 -12.161 -3.797
59 HH11 ARG 10 1HH1 ARG 10 15.379 -11.080 -0.434
60 HH12 ARG 10 2HH1 ARG 10 16.247 -12.516 -0.025
61 HH21 ARG 10 1HH2 ARG 10 16.527 -13.662 -3.394
62 HH22 ARG 10 2HH2 ARG 10 17.113 -13.809 -1.779
63 H ARG 11 H ARG 11 11.668 -6.947 -6.871
64 HA ARG 11 HA ARG 11 14.332 -5.779 -6.552
65 HB3 ARG 11 2HB ARG 11 14.345 -6.576 -9.228
66 HG3 ARG 11 2HG ARG 11 16.247 -6.698 -7.466
67 HD3 ARG 11 2HD ARG 11 14.905 -9.407 -7.202
68 HE ARG 11 HE ARG 11 16.965 -9.977 -8.137
69 HH11 ARG 11 1HH1 ARG 11 17.472 -8.378 -4.937
70 HH12 ARG 11 2HH1 ARG 11 19.141 -8.804 -4.921
71 HH21 ARG 11 1HH2 ARG 11 19.136 -10.438 -8.066
72 HH22 ARG 11 2HH2 ARG 11 20.100 -10.069 -6.681
73 H THR 12 H THR 12 11.401 -5.026 -6.824
74 HA THR 12 HA THR 12 12.169 -2.518 -7.918
75 HB THR 12 HB THR 12 9.524 -3.070 -9.067
76 HG1 THR 12 1HG THR 12 10.239 -4.936 -9.698
77 HG21 THR 12 3HG2 THR 12 10.708 -0.985 -9.218
78 HG22 THR 12 1HG2 THR 12 10.402 -1.660 -10.823
79 HG23 THR 12 2HG2 THR 12 12.029 -1.781 -10.134
80 H ALA 13 H ALA 13 11.743 -1.394 -6.264
81 HA ALA 13 HA ALA 13 10.928 -0.546 -4.359
82 HB1 ALA 13 1HB ALA 13 8.627 0.271 -4.506
83 HB2 ALA 13 2HB ALA 13 9.486 0.468 -6.055
84 HB3 ALA 13 3HB ALA 13 8.297 -0.819 -5.876
85 H PHE 14 H PHE 14 8.326 -2.858 -5.013
86 HA PHE 14 HA PHE 14 8.409 -3.815 -2.190
87 HB3 PHE 14 2HB PHE 14 6.004 -4.368 -2.521
88 HD1 PHE 14 1HD PHE 14 6.329 -1.447 -4.656
89 HD2 PHE 14 2HD PHE 14 6.031 -2.754 -0.584
90 HE1 PHE 14 1HE PHE 14 5.884 0.914 -3.942
91 HE2 PHE 14 2HE PHE 14 5.670 -0.392 0.142
92 HZ PHE 14 HZ PHE 14 5.565 1.418 -1.515
93 H THR 15 H THR 15 7.043 -6.252 -2.443
94 HA THR 15 HA THR 15 8.444 -7.729 -4.584
95 HB THR 15 HB THR 15 8.713 -9.581 -3.435
96 HG1 THR 15 1HG THR 15 7.654 -10.178 -1.555
97 HG21 THR 15 3HG2 THR 15 9.797 -9.143 -1.302
98 HG22 THR 15 1HG2 THR 15 8.784 -7.743 -1.000
99 HG23 THR 15 2HG2 THR 15 10.016 -7.652 -2.246
100 H SER 16 H SER 16 6.705 -10.110 -4.498
101 HA SER 16 HA SER 16 4.221 -9.039 -5.635
102 HB3 SER 16 2HB SER 16 5.070 -11.007 -6.723
103 HG SER 16 HG SER 16 4.746 -12.595 -4.459
104 H GLU 17 H GLU 17 5.439 -10.845 -2.794
105 HA GLU 17 HA GLU 17 3.024 -11.261 -1.420
106 HB3 GLU 17 2HB GLU 17 5.131 -10.724 0.449
107 HG3 GLU 17 2HG GLU 17 4.313 -13.362 -0.824
108 H GLN 18 H GLN 18 5.404 -8.568 -1.155
109 HA GLN 18 HA GLN 18 3.750 -7.130 0.730
110 HB3 GLN 18 2HB GLN 18 5.350 -5.227 0.264
111 HG3 GLN 18 2HG GLN 18 6.795 -7.890 0.486
112 HE21 GLN 18 1HE2 GLN 18 8.051 -6.612 2.867
113 HE22 GLN 18 2HE2 GLN 18 9.359 -5.634 2.331
114 H LEU 19 H LEU 19 2.960 -7.585 -2.481
115 HA LEU 19 HA LEU 19 1.357 -5.064 -2.570
116 HB3 LEU 19 2HB LEU 19 1.470 -5.492 -5.094
117 HG LEU 19 HG LEU 19 4.169 -5.005 -3.802
118 HD11 LEU 19 1HD1 LEU 19 3.147 -4.255 -6.557
119 HD12 LEU 19 2HD1 LEU 19 4.198 -5.638 -6.208
120 HD13 LEU 19 3HD1 LEU 19 4.772 -3.970 -5.933
121 HD21 LEU 19 3HD2 LEU 19 2.640 -3.338 -2.966
122 HD22 LEU 19 1HD2 LEU 19 1.975 -3.076 -4.601
123 HD23 LEU 19 2HD2 LEU 19 3.638 -2.573 -4.207
124 H LEU 20 H LEU 20 1.323 -8.495 -2.459
125 HA LEU 20 HA LEU 20 -1.460 -8.783 -3.421
126 HB3 LEU 20 2HB LEU 20 0.369 -10.719 -1.928
127 HG LEU 20 HG LEU 20 -2.279 -11.102 -2.127
128 HD11 LEU 20 1HD1 LEU 20 -2.933 -12.282 -4.154
129 HD12 LEU 20 2HD1 LEU 20 -1.322 -12.046 -4.859
130 HD13 LEU 20 3HD1 LEU 20 -2.386 -10.656 -4.563
131 HD21 LEU 20 3HD2 LEU 20 -0.704 -12.699 -1.193
132 HD22 LEU 20 1HD2 LEU 20 -0.288 -13.283 -2.816
133 HD23 LEU 20 2HD2 LEU 20 -1.933 -13.491 -2.194
134 H GLU 21 H GLU 21 0.445 -8.785 -0.386
135 HA GLU 21 HA GLU 21 -1.783 -9.304 1.333
136 HB3 GLU 21 2HB GLU 21 0.079 -8.551 3.041
137 HG3 GLU 21 2HG GLU 21 1.509 -10.514 2.609
138 H LEU 22 H LEU 22 -0.165 -6.398 0.267
139 HA LEU 22 HA LEU 22 -0.982 -4.677 2.299
140 HB3 LEU 22 2HB LEU 22 -0.548 -3.515 -0.434
141 HG LEU 22 HG LEU 22 -0.157 -2.048 1.459
142 HD11 LEU 22 1HD1 LEU 22 1.811 -2.437 3.004
143 HD12 LEU 22 2HD1 LEU 22 1.881 -4.107 2.400
144 HD13 LEU 22 3HD1 LEU 22 0.465 -3.531 3.302
145 HD21 LEU 22 3HD2 LEU 22 1.876 -1.176 0.720
146 HD22 LEU 22 1HD2 LEU 22 1.410 -2.197 -0.648
147 HD23 LEU 22 2HD2 LEU 22 2.610 -2.797 0.468
148 H GLU 23 H GLU 23 -2.689 -5.590 -0.543
149 HA GLU 23 HA GLU 23 -4.628 -3.393 -0.511
150 HB3 GLU 23 2HB GLU 23 -4.064 -4.294 -2.620
151 HG3 GLU 23 2HG GLU 23 -4.217 -6.938 -1.306
152 H LYS 24 H LYS 24 -4.355 -6.603 0.866
153 HA LYS 24 HA LYS 24 -7.181 -6.965 1.434
154 HB3 LYS 24 2HB LYS 24 -6.373 -8.885 2.734
155 HG3 LYS 24 2HG LYS 24 -4.824 -8.530 0.127
156 HD3 LYS 24 2HD LYS 24 -5.610 -11.054 1.585
157 HE3 LYS 24 2HE LYS 24 -4.160 -10.539 -1.059
158 HZ1 LYS 24 3HZ LYS 24 -3.707 -12.701 -0.098
159 HZ2 LYS 24 1HZ LYS 24 -4.717 -12.853 -1.416
160 HZ3 LYS 24 2HZ LYS 24 -5.322 -12.990 0.103
161 H GLU 25 H GLU 25 -4.295 -5.805 3.099
162 HA GLU 25 HA GLU 25 -5.266 -5.197 5.625
163 HB3 GLU 25 2HB GLU 25 -3.542 -3.307 4.033
164 HG3 GLU 25 2HG GLU 25 -3.626 -2.829 6.377
165 H PHE 26 H PHE 26 -5.731 -3.433 2.575
166 HA PHE 26 HA PHE 26 -6.976 -1.096 3.866
167 HB3 PHE 26 2HB PHE 26 -6.725 -1.846 0.923
168 HD1 PHE 26 2HD PHE 26 -6.354 1.288 3.006
169 HD2 PHE 26 1HD PHE 26 -8.369 -0.630 -0.296
170 HE1 PHE 26 2HE PHE 26 -7.317 3.469 2.323
171 HE2 PHE 26 1HE PHE 26 -9.382 1.530 -0.931
172 HZ PHE 26 HZ PHE 26 -8.858 3.593 0.370
173 H HIS 27 H HIS 27 -8.029 -4.239 3.106
174 HA HIS 27 HA HIS 27 -10.589 -3.578 1.987
175 HB3 HIS 27 2HB HIS 27 -9.899 -6.173 3.372
176 HD1 HIS 27 1HD HIS 27 -12.638 -6.508 3.548
177 HD2 HIS 27 2HD HIS 27 -10.992 -5.776 -0.286
178 HE1 HIS 27 1HE HIS 27 -14.499 -6.920 1.867
179 H CYS 28 H CYS 28 -9.358 -4.152 5.311
180 HA CYS 28 HA CYS 28 -12.022 -3.602 6.446
181 HB3 CYS 28 2HB CYS 28 -10.899 -5.346 7.567
182 HG CYS 28 HG CYS 28 -8.559 -5.375 8.727
183 H LYS 29 H LYS 29 -8.668 -2.189 6.525
184 HA LYS 29 HA LYS 29 -9.860 0.203 7.756
185 HB3 LYS 29 2HB LYS 29 -7.515 0.805 8.311
186 HG3 LYS 29 2HG LYS 29 -8.520 -1.909 9.278
187 HD3 LYS 29 2HD LYS 29 -7.311 -0.347 11.365
188 HE3 LYS 29 2HE LYS 29 -5.486 -2.357 10.810
189 HZ1 LYS 29 3HZ LYS 29 -6.558 -2.242 12.887
190 HZ2 LYS 29 1HZ LYS 29 -6.775 -3.739 12.278
191 HZ3 LYS 29 2HZ LYS 29 -8.041 -2.674 12.258
192 H LYS 30 H LYS 30 -10.512 1.702 6.493
193 HA LYS 30 HA LYS 30 -9.307 2.448 3.922
194 HB3 LYS 30 2HB LYS 30 -10.934 4.367 4.077
195 HG3 LYS 30 2HG LYS 30 -13.101 3.073 4.297
196 HD3 LYS 30 2HD LYS 30 -10.992 1.915 2.418
197 HE3 LYS 30 2HE LYS 30 -12.759 0.363 2.243
198 HZ1 LYS 30 3HZ LYS 30 -15.068 1.099 1.867
199 HZ2 LYS 30 1HZ LYS 30 -14.695 2.609 2.362
200 HZ3 LYS 30 2HZ LYS 30 -14.542 1.313 3.385
201 H TYR 31 H TYR 31 -8.658 3.087 7.296
202 HA TYR 31 HA TYR 31 -6.484 4.906 6.483
203 HB3 TYR 31 2HB TYR 31 -7.702 6.685 7.162
204 HD1 TYR 31 1HD TYR 31 -10.068 6.424 6.476
205 HD2 TYR 31 2HD TYR 31 -8.672 5.077 10.314
206 HE1 TYR 31 1HE TYR 31 -12.395 6.132 7.198
207 HE2 TYR 31 2HE TYR 31 -11.021 4.795 11.083
208 HH TYR 31 HH TYR 31 -13.250 4.524 10.207
209 H LEU 32 H LEU 32 -4.813 3.821 7.119
210 HA LEU 32 HA LEU 32 -4.703 2.065 9.477
211 HB3 LEU 32 2HB LEU 32 -2.211 2.203 9.082
212 HG LEU 32 HG LEU 32 -3.743 1.486 6.549
213 HD11 LEU 32 1HD1 LEU 32 -0.906 0.895 7.510
214 HD12 LEU 32 2HD1 LEU 32 -1.393 1.835 6.081
215 HD13 LEU 32 3HD1 LEU 32 -1.690 0.100 6.138
216 HD21 LEU 32 3HD2 LEU 32 -4.528 0.129 8.454
217 HD22 LEU 32 1HD2 LEU 32 -2.845 -0.248 8.902
218 HD23 LEU 32 2HD2 LEU 32 -3.542 -0.836 7.383
219 H SER 33 H SER 33 -4.383 2.688 11.470
220 HA SER 33 HA SER 33 -3.743 5.376 12.313
221 HB3 SER 33 2HB SER 33 -3.437 2.860 13.951
222 HG SER 33 HG SER 33 -4.613 4.298 15.391
223 H LEU 34 H LEU 34 -1.877 5.413 14.002
224 HA LEU 34 HA LEU 34 0.614 5.092 12.519
225 HB3 LEU 34 2HB LEU 34 1.422 5.737 15.043
226 HG LEU 34 HG LEU 34 0.659 7.256 12.595
227 HD11 LEU 34 1HD1 LEU 34 0.806 9.475 13.643
228 HD12 LEU 34 2HD1 LEU 34 0.748 8.723 15.243
229 HD13 LEU 34 3HD1 LEU 34 -0.644 8.593 14.130
230 HD21 LEU 34 3HD2 LEU 34 2.857 8.285 12.973
231 HD22 LEU 34 1HD2 LEU 34 2.972 6.526 13.168
232 HD23 LEU 34 2HD2 LEU 34 2.938 7.560 14.594
233 H THR 35 H THR 35 -0.692 3.522 15.424
234 HA THR 35 HA THR 35 1.486 1.608 15.503
235 HB THR 35 HB THR 35 -1.298 1.288 16.692
236 HG1 THR 35 1HG THR 35 -0.542 3.074 17.568
237 HG21 THR 35 3HG2 THR 35 1.392 -0.001 17.374
238 HG22 THR 35 1HG2 THR 35 -0.038 -0.833 16.727
239 HG23 THR 35 2HG2 THR 35 -0.078 -0.136 18.347
240 H GLU 36 H GLU 36 -1.705 1.554 13.923
241 HA GLU 36 HA GLU 36 -1.703 -1.108 13.030
242 HB3 GLU 36 2HB GLU 36 -3.189 -0.216 11.177
243 HG3 GLU 36 2HG GLU 36 -4.824 1.055 12.685
244 H ARG 37 H ARG 37 -0.290 1.801 11.461
245 HA ARG 37 HA ARG 37 0.737 0.412 9.156
246 HB3 ARG 37 2HB ARG 37 1.596 3.009 10.490
247 HG3 ARG 37 2HG ARG 37 2.004 2.056 7.623
248 HD3 ARG 37 2HD ARG 37 1.583 4.498 7.755
249 HE ARG 37 HE ARG 37 2.823 4.530 10.129
250 HH11 ARG 37 1HH1 ARG 37 4.250 5.947 7.204
251 HH12 ARG 37 2HH1 ARG 37 4.893 7.302 8.092
252 HH21 ARG 37 1HH2 ARG 37 3.786 6.078 11.188
253 HH22 ARG 37 2HH2 ARG 37 4.754 7.296 10.466
254 H SER 38 H SER 38 2.012 0.931 12.437
255 HA SER 38 HA SER 38 4.697 0.163 11.842
256 HB3 SER 38 2HB SER 38 3.287 -0.171 14.517
257 HG SER 38 HG SER 38 5.930 0.429 13.659
258 H GLN 39 H GLN 39 1.798 -1.718 12.877
259 HA GLN 39 HA GLN 39 2.955 -4.248 13.233
260 HB3 GLN 39 2HB GLN 39 0.749 -5.161 12.454
261 HG3 GLN 39 2HG GLN 39 -0.756 -3.683 13.966
262 HE21 GLN 39 1HE2 GLN 39 -1.364 -5.334 15.359
263 HE22 GLN 39 2HE2 GLN 39 -0.223 -6.361 16.183
264 H ILE 40 H ILE 40 1.582 -2.904 10.243
265 HA ILE 40 HA ILE 40 2.252 -5.013 8.518
266 HB ILE 40 HB ILE 40 1.814 -2.045 7.999
267 HG13 ILE 40 2HG1 ILE 40 -0.038 -3.636 9.150
268 HG21 ILE 40 1HG2 ILE 40 1.136 -2.690 5.690
269 HG22 ILE 40 2HG2 ILE 40 2.838 -3.057 5.994
270 HG23 ILE 40 3HG2 ILE 40 1.630 -4.360 6.028
271 HD11 ILE 40 3HD1 ILE 40 -0.720 -1.851 6.802
272 HD12 ILE 40 1HD1 ILE 40 -1.784 -2.346 8.146
273 HD13 ILE 40 2HD1 ILE 40 -0.399 -1.295 8.452
274 H ALA 41 H ALA 41 4.040 -1.950 9.207
275 HA ALA 41 HA ALA 41 6.068 -2.451 7.274
276 HB1 ALA 41 1HB ALA 41 7.351 -0.704 8.382
277 HB2 ALA 41 2HB ALA 41 5.658 -0.208 8.203
278 HB3 ALA 41 3HB ALA 41 6.257 -0.753 9.788
279 H HIS 42 H HIS 42 5.717 -3.518 10.638
280 HA HIS 42 HA HIS 42 8.410 -4.618 10.834
281 HB3 HIS 42 2HB HIS 42 7.213 -5.869 12.774
282 HD1 HIS 42 1HD HIS 42 8.732 -5.050 14.587
283 HD2 HIS 42 2HD HIS 42 7.207 -1.956 12.168
284 HE1 HIS 42 1HE HIS 42 9.819 -2.872 15.394
285 H ALA 43 H ALA 43 5.158 -6.163 10.632
286 HA ALA 43 HA ALA 43 5.950 -8.772 10.348
287 HB1 ALA 43 1HB ALA 43 3.638 -8.054 10.740
288 HB2 ALA 43 2HB ALA 43 3.538 -7.372 9.101
289 HB3 ALA 43 3HB ALA 43 3.715 -9.123 9.322
290 H LEU 44 H LEU 44 5.189 -6.550 7.626
291 HA LEU 44 HA LEU 44 5.997 -8.556 5.676
292 HB3 LEU 44 2HB LEU 44 5.502 -6.802 4.022
293 HG LEU 44 HG LEU 44 3.268 -6.819 6.080
294 HD11 LEU 44 1HD1 LEU 44 3.272 -6.404 3.051
295 HD12 LEU 44 2HD1 LEU 44 3.112 -5.122 4.270
296 HD13 LEU 44 3HD1 LEU 44 1.860 -6.359 4.125
297 HD21 LEU 44 3HD2 LEU 44 3.901 -8.792 3.830
298 HD22 LEU 44 1HD2 LEU 44 2.347 -8.702 4.691
299 HD23 LEU 44 2HD2 LEU 44 3.806 -9.128 5.580
300 H LYS 45 H LYS 45 7.991 -6.673 7.598
301 HA LYS 45 HA LYS 45 10.001 -5.674 7.396
302 HB3 LYS 45 2HB LYS 45 10.512 -7.463 5.021
303 HG3 LYS 45 2HG LYS 45 12.329 -6.668 7.336
304 HD3 LYS 45 2HD LYS 45 12.710 -8.106 4.669
305 HE3 LYS 45 2HE LYS 45 14.809 -7.350 6.732
306 HZ1 LYS 45 3HZ LYS 45 16.276 -8.020 4.959
307 HZ2 LYS 45 1HZ LYS 45 15.010 -8.428 3.973
308 HZ3 LYS 45 2HZ LYS 45 15.305 -9.281 5.362
309 H LEU 46 H LEU 46 8.547 -3.869 6.694
310 HA LEU 46 HA LEU 46 9.511 -2.657 4.162
311 HB3 LEU 46 2HB LEU 46 7.148 -1.414 4.431
312 HG LEU 46 HG LEU 46 7.675 -4.143 3.282
313 HD11 LEU 46 1HD1 LEU 46 5.394 -3.593 1.993
314 HD12 LEU 46 2HD1 LEU 46 5.017 -2.850 3.587
315 HD13 LEU 46 3HD1 LEU 46 5.463 -4.540 3.456
316 HD21 LEU 46 3HD2 LEU 46 7.041 -1.500 1.924
317 HD22 LEU 46 1HD2 LEU 46 7.565 -3.013 1.146
318 HD23 LEU 46 2HD2 LEU 46 8.682 -2.138 2.179
319 H SER 47 H SER 47 8.682 -0.117 4.660
320 HA SER 47 HA SER 47 9.645 0.613 7.370
321 HB3 SER 47 2HB SER 47 10.901 2.467 6.399
322 HG SER 47 HG SER 47 12.428 0.997 6.291
323 H GLU 48 H GLU 48 8.507 2.447 8.173
324 HA GLU 48 HA GLU 48 5.812 2.735 7.732
325 HB3 GLU 48 2HB GLU 48 6.329 5.156 8.641
326 HG3 GLU 48 2HG GLU 48 7.248 2.833 10.352
327 H VAL 49 H VAL 49 8.379 4.313 5.979
328 HA VAL 49 HA VAL 49 6.833 6.353 4.617
329 HB VAL 49 HB VAL 49 9.615 5.141 4.303
330 HG11 VAL 49 1HG1 VAL 49 8.949 5.737 2.003
331 HG12 VAL 49 2HG1 VAL 49 8.400 7.336 2.565
332 HG13 VAL 49 3HG1 VAL 49 10.118 6.888 2.617
333 HG21 VAL 49 3HG2 VAL 49 9.130 6.758 6.165
334 HG22 VAL 49 1HG2 VAL 49 10.297 7.377 4.982
335 HG23 VAL 49 2HG2 VAL 49 8.595 7.939 4.938
336 H GLN 50 H GLN 50 8.153 3.122 3.710
337 HA GLN 50 HA GLN 50 7.184 3.180 1.032
338 HB3 GLN 50 2HB GLN 50 7.620 0.744 1.123
339 HG3 GLN 50 2HG GLN 50 9.966 1.131 2.602
340 HE21 GLN 50 1HE2 GLN 50 9.317 2.909 -0.505
341 HE22 GLN 50 2HE2 GLN 50 10.002 1.645 -1.504
342 H VAL 51 H VAL 51 5.820 2.044 4.140
343 HA VAL 51 HA VAL 51 3.431 0.942 2.914
344 HB VAL 51 HB VAL 51 3.743 1.889 5.793
345 HG11 VAL 51 1HG1 VAL 51 1.854 -0.114 4.460
346 HG12 VAL 51 2HG1 VAL 51 1.942 0.181 6.202
347 HG13 VAL 51 3HG1 VAL 51 1.391 1.469 5.122
348 HG21 VAL 51 3HG2 VAL 51 4.272 -0.873 4.614
349 HG22 VAL 51 1HG2 VAL 51 5.485 0.192 5.339
350 HG23 VAL 51 2HG2 VAL 51 4.205 -0.495 6.341
351 H LYS 52 H LYS 52 4.118 4.076 4.565
352 HA LYS 52 HA LYS 52 1.620 5.254 4.187
353 HB3 LYS 52 2HB LYS 52 4.363 6.593 4.079
354 HG3 LYS 52 2HG LYS 52 1.624 7.721 4.845
355 HD3 LYS 52 2HD LYS 52 3.760 8.844 5.814
356 HE3 LYS 52 2HE LYS 52 3.957 9.410 2.821
357 HZ1 LYS 52 3HZ LYS 52 5.580 11.074 3.348
358 HZ2 LYS 52 1HZ LYS 52 5.332 10.912 4.972
359 HZ3 LYS 52 2HZ LYS 52 4.141 11.494 3.996
360 H ILE 53 H ILE 53 4.398 5.467 1.887
361 HA ILE 53 HA ILE 53 2.980 7.112 0.065
362 HB ILE 53 HB ILE 53 5.401 5.283 -0.329
363 HG13 ILE 53 2HG1 ILE 53 5.643 7.158 1.428
364 HG21 ILE 53 1HG2 ILE 53 4.333 5.899 -2.527
365 HG22 ILE 53 2HG2 ILE 53 4.471 7.614 -2.093
366 HG23 ILE 53 3HG2 ILE 53 5.909 6.611 -2.346
367 HD11 ILE 53 3HD1 ILE 53 7.626 6.430 0.158
368 HD12 ILE 53 1HD1 ILE 53 7.296 7.670 -1.064
369 HD13 ILE 53 2HD1 ILE 53 7.645 8.156 0.592
370 H TRP 54 H TRP 54 3.305 3.548 0.246
371 HA TRP 54 HA TRP 54 1.949 3.030 -2.216
372 HB3 TRP 54 2HB TRP 54 1.886 1.281 0.265
373 HD1 TRP 54 HD TRP 54 2.831 0.032 -3.175
374 HE1 TRP 54 1HE TRP 54 0.998 -1.480 -4.109
375 HE3 TRP 54 3HE TRP 54 -0.643 0.637 0.482
376 HZ2 TRP 54 2HZ TRP 54 -1.668 -2.337 -3.362
377 HZ3 TRP 54 3HZ TRP 54 -2.674 -0.761 0.521
378 HH2 TRP 54 HH TRP 54 -3.307 -2.090 -1.519
379 H PHE 55 H PHE 55 0.639 3.177 1.145
380 HA PHE 55 HA PHE 55 -2.093 2.838 0.359
381 HB3 PHE 55 2HB PHE 55 -2.479 4.058 2.656
382 HD1 PHE 55 2HD PHE 55 0.250 1.449 2.669
383 HD2 PHE 55 1HD PHE 55 -3.960 2.240 3.209
384 HE1 PHE 55 2HE PHE 55 -0.081 -0.847 3.426
385 HE2 PHE 55 1HE PHE 55 -4.268 -0.143 3.918
386 HZ PHE 55 HZ PHE 55 -2.310 -1.653 4.005
387 H GLN 56 H GLN 56 -0.078 5.791 0.650
388 HA GLN 56 HA GLN 56 -2.087 7.746 0.314
389 HB3 GLN 56 2HB GLN 56 -0.077 8.968 -0.832
390 HG3 GLN 56 2HG GLN 56 0.509 8.060 1.992
391 HE21 GLN 56 1HE2 GLN 56 2.443 9.075 -0.103
392 HE22 GLN 56 2HE2 GLN 56 2.939 10.647 0.431
393 H ASN 57 H ASN 57 -0.217 5.887 -2.144
394 HA ASN 57 HA ASN 57 -1.284 7.290 -4.411
395 HB3 ASN 57 2HB ASN 57 -0.407 4.990 -5.446
396 HD21 ASN 57 1HD2 ASN 57 2.362 5.713 -3.688
397 HD22 ASN 57 2HD2 ASN 57 3.112 6.761 -4.858
398 H ARG 58 H ARG 58 -2.116 4.239 -2.757
399 HA ARG 58 HA ARG 58 -4.315 3.547 -4.466
400 HB3 ARG 58 2HB ARG 58 -4.989 2.436 -2.081
401 HG3 ARG 58 2HG ARG 58 -3.289 0.645 -2.456
402 HD3 ARG 58 2HD ARG 58 -4.601 1.372 -5.090
403 HE ARG 58 HE ARG 58 -3.816 -0.803 -5.363
404 HH11 ARG 58 1HH1 ARG 58 -5.744 -0.621 -2.369
405 HH12 ARG 58 2HH1 ARG 58 -6.373 -2.239 -2.601
406 HH21 ARG 58 1HH2 ARG 58 -4.476 -3.045 -5.404
407 HH22 ARG 58 2HH2 ARG 58 -5.509 -3.645 -4.172
408 H ARG 59 H ARG 59 -4.242 5.485 -1.431
409 HA ARG 59 HA ARG 59 -7.030 5.903 -1.256
410 HB3 ARG 59 2HB ARG 59 -5.997 8.214 -0.164
411 HG3 ARG 59 2HG ARG 59 -5.546 6.789 1.956
412 HD3 ARG 59 2HD ARG 59 -8.298 6.151 1.015
413 HE ARG 59 HE ARG 59 -8.070 6.046 3.344
414 HH11 ARG 59 1HH1 ARG 59 -7.435 9.409 2.214
415 HH12 ARG 59 2HH1 ARG 59 -7.579 10.063 3.804
416 HH21 ARG 59 1HH2 ARG 59 -8.369 6.984 5.339
417 HH22 ARG 59 2HH2 ARG 59 -8.185 8.697 5.616
418 H ALA 60 H ALA 60 -4.622 7.652 -3.247
419 HA ALA 60 HA ALA 60 -6.266 9.814 -3.995
420 HB1 ALA 60 1HB ALA 60 -4.169 8.383 -5.693
421 HB2 ALA 60 2HB ALA 60 -4.812 10.007 -5.962
422 HB3 ALA 60 3HB ALA 60 -3.842 9.675 -4.514
423 H LYS 61 H LYS 61 -5.838 6.667 -5.706
424 HA LYS 61 HA LYS 61 -7.932 7.021 -7.592
425 HB3 LYS 61 2HB LYS 61 -6.686 4.507 -6.411
426 HG3 LYS 61 2HG LYS 61 -8.728 4.833 -8.627
427 HD3 LYS 61 2HD LYS 61 -6.406 2.866 -8.558
428 HE3 LYS 61 2HE LYS 61 -9.173 2.545 -9.720
429 HZ1 LYS 61 3HZ LYS 61 -7.935 2.487 -11.656
430 HZ2 LYS 61 1HZ LYS 61 -8.110 0.904 -11.277
431 HZ3 LYS 61 2HZ LYS 61 -6.675 1.651 -11.013
432 H TRP 62 H TRP 62 -8.062 5.640 -4.246
433 HA TRP 62 HA TRP 62 -10.729 4.736 -4.342
434 HB3 TRP 62 2HB TRP 62 -9.222 5.993 -2.036
435 HD1 TRP 62 HD TRP 62 -12.226 3.557 -2.377
436 HE1 TRP 62 1HE TRP 62 -13.801 4.003 -0.400
437 HE3 TRP 62 3HE TRP 62 -9.794 7.500 -0.248
438 HZ2 TRP 62 2HZ TRP 62 -13.705 5.479 2.072
439 HZ3 TRP 62 3HZ TRP 62 -10.505 8.362 1.983
440 HH2 TRP 62 HH TRP 62 -12.395 7.309 3.180
441 H LYS 63 H LYS 63 -9.522 8.044 -3.516
442 HA LYS 63 HA LYS 63 -12.079 9.111 -2.915
443 HB3 LYS 63 2HB LYS 63 -11.071 11.328 -3.440
444 HG3 LYS 63 2HG LYS 63 -8.969 9.979 -1.806
445 HD3 LYS 63 2HD LYS 63 -11.010 12.188 -1.299
446 HE3 LYS 63 2HE LYS 63 -9.077 10.796 0.595
447 HZ1 LYS 63 3HZ LYS 63 -8.954 13.132 1.051
448 HZ2 LYS 63 1HZ LYS 63 -9.827 12.429 2.200
449 HZ3 LYS 63 2HZ LYS 63 -10.600 13.306 1.053
450 H ARG 64 H ARG 64 -10.613 8.538 -6.107
451 HA ARG 64 HA ARG 64 -12.771 10.055 -7.439
452 HB3 ARG 64 2HB ARG 64 -11.464 9.428 -9.466
453 HG3 ARG 64 2HG ARG 64 -9.397 10.716 -9.035
454 HD3 ARG 64 2HD ARG 64 -11.832 12.098 -7.856
455 HE ARG 64 HE ARG 64 -9.624 13.381 -9.379
456 HH11 ARG 64 1HH1 ARG 64 -11.506 13.435 -6.381
457 HH12 ARG 64 2HH1 ARG 64 -10.373 14.385 -5.507
458 HH21 ARG 64 1HH2 ARG 64 -8.307 14.831 -8.367
459 HH22 ARG 64 2HH2 ARG 64 -8.445 15.256 -6.685
460 H ILE 65 H ILE 65 -12.802 7.146 -5.981
461 HA ILE 65 HA ILE 65 -14.756 6.171 -7.996
462 HB ILE 65 HB ILE 65 -13.484 4.544 -5.754
463 HG13 ILE 65 2HG1 ILE 65 -11.857 5.096 -7.582
464 HG21 ILE 65 1HG2 ILE 65 -15.361 3.799 -8.060
465 HG22 ILE 65 2HG2 ILE 65 -14.642 2.638 -6.943
466 HG23 ILE 65 3HG2 ILE 65 -15.791 3.836 -6.341
467 HD11 ILE 65 3HD1 ILE 65 -11.093 2.921 -8.169
468 HD12 ILE 65 1HD1 ILE 65 -11.661 2.876 -6.490
469 HD13 ILE 65 2HD1 ILE 65 -12.651 2.180 -7.800
470 H LYS 66 H LYS 66 -14.101 6.607 -4.510
471 HA LYS 66 HA LYS 66 -16.848 6.300 -3.759
472 HB3 LYS 66 2HB LYS 66 -14.823 5.826 -2.345
473 HG3 LYS 66 2HG LYS 66 -14.254 8.624 -2.788
474 HD3 LYS 66 2HD LYS 66 -14.233 8.038 0.135
475 HE3 LYS 66 2HE LYS 66 -14.110 10.449 -1.648
476 HZ1 LYS 66 3HZ LYS 66 -15.997 10.943 -0.322
477 HZ2 LYS 66 1HZ LYS 66 -14.777 11.874 0.184
478 HZ3 LYS 66 2HZ LYS 66 -15.260 10.580 1.082
479 H ALA 67 H ALA 67 -15.310 9.033 -5.198
480 HA ALA 67 HA ALA 67 -17.381 10.902 -4.247
481 HB1 ALA 67 1HB ALA 67 -15.133 11.280 -6.261
482 HB2 ALA 67 2HB ALA 67 -16.199 12.544 -5.616
483 HB3 ALA 67 3HB ALA 67 -15.061 11.717 -4.536
484 H GLY 68 H GLY 68 -17.602 8.325 -6.135
485 HA2 GLY 68 1HA GLY 68 -18.931 7.676 -7.852
486 HA3 GLY 68 2HA GLY 68 -19.804 9.217 -7.734
487 H ASN 69 H ASN 69 -19.246 10.888 -9.151
488 HA ASN 69 HA ASN 69 -17.064 10.434 -11.072
489 HB3 ASN 69 2HB ASN 69 -18.903 9.837 -12.367
490 HD21 ASN 69 1HD2 ASN 69 -21.138 9.602 -12.603
491 HD22 ASN 69 2HD2 ASN 69 -22.261 10.858 -12.180
492 H VAL 70 H VAL 70 -15.697 11.949 -10.911
493 HA VAL 70 HA VAL 70 -16.632 14.726 -11.087
494 HB VAL 70 HB VAL 70 -14.768 15.569 -9.836
495 HG11 VAL 70 1HG1 VAL 70 -16.251 13.594 -8.066
496 HG12 VAL 70 2HG1 VAL 70 -15.502 15.144 -7.594
497 HG13 VAL 70 3HG1 VAL 70 -16.908 15.134 -8.653
498 HG21 VAL 70 3HG2 VAL 70 -14.088 12.785 -8.840
499 HG22 VAL 70 1HG2 VAL 70 -13.199 13.578 -10.148
500 HG23 VAL 70 2HG2 VAL 70 -13.222 14.320 -8.558
501 H SER 71 H SER 71 -16.213 12.731 -13.041
502 HA SER 71 HA SER 71 -13.945 13.733 -14.631
503 HB3 SER 71 2HB SER 71 -14.091 11.608 -15.874
504 HG SER 71 HG SER 71 -12.620 11.528 -14.242
Start of MODEL 8
1 H1 SER 1 H SER 1 -3.638 0.359 -15.260
2 HA SER 1 HA SER 1 -1.321 -0.403 -16.936
3 HB3 SER 1 2HB SER 1 -2.454 1.166 -18.596
4 HG SER 1 HG SER 1 -4.393 -0.424 -18.691
5 H ALA 2 H ALA 2 0.534 0.736 -16.458
6 HA ALA 2 HA ALA 2 0.262 3.344 -15.071
7 HB1 ALA 2 1HB ALA 2 0.186 1.557 -13.355
8 HB2 ALA 2 2HB ALA 2 1.636 0.799 -14.052
9 HB3 ALA 2 3HB ALA 2 1.745 2.379 -13.272
10 HA PRO 3 HA PRO 3 4.472 3.906 -16.847
11 HB3 PRO 3 2HB PRO 3 4.249 6.150 -16.145
12 HG3 PRO 3 2HG PRO 3 3.372 6.694 -13.951
13 HD3 PRO 3 2HD PRO 3 1.712 5.584 -15.238
14 H GLY 4 H GLY 4 6.679 3.256 -16.113
15 HA2 GLY 4 1HA GLY 4 8.141 1.849 -14.991
16 HA3 GLY 4 2HA GLY 4 7.285 2.307 -13.515
17 H GLY 5 H GLY 5 7.306 0.254 -12.650
18 HA2 GLY 5 1HA GLY 5 6.499 -1.813 -12.100
19 HA3 GLY 5 2HA GLY 5 5.015 -1.023 -12.616
20 H LYS 6 H LYS 6 7.607 -2.147 -14.884
21 HA LYS 6 HA LYS 6 5.668 -3.997 -16.136
22 HB3 LYS 6 2HB LYS 6 7.610 -4.552 -17.636
23 HG3 LYS 6 2HG LYS 6 6.773 -1.638 -17.393
24 HD3 LYS 6 2HD LYS 6 7.956 -3.190 -19.728
25 HE3 LYS 6 2HE LYS 6 6.896 -0.317 -19.630
26 HZ1 LYS 6 3HZ LYS 6 7.881 -2.067 -21.795
27 HZ2 LYS 6 1HZ LYS 6 8.394 -0.532 -21.411
28 HZ3 LYS 6 2HZ LYS 6 6.910 -0.765 -22.072
29 H SER 7 H SER 7 7.650 -4.208 -13.391
30 HA SER 7 HA SER 7 7.671 -7.156 -13.575
31 HB3 SER 7 2HB SER 7 9.894 -6.392 -14.205
32 HG SER 7 HG SER 7 10.002 -4.383 -13.244
33 H ARG 8 H ARG 8 7.868 -8.152 -11.409
34 HA ARG 8 HA ARG 8 7.030 -6.563 -9.082
35 HB3 ARG 8 2HB ARG 8 5.247 -8.551 -10.542
36 HG3 ARG 8 2HG ARG 8 4.876 -7.266 -7.810
37 HD3 ARG 8 2HD ARG 8 2.846 -8.070 -9.914
38 HE ARG 8 HE ARG 8 1.782 -7.764 -7.212
39 HH11 ARG 8 1HH1 ARG 8 2.881 -10.171 -9.615
40 HH12 ARG 8 2HH1 ARG 8 1.823 -11.401 -9.005
41 HH21 ARG 8 1HH2 ARG 8 0.315 -9.403 -6.533
42 HH22 ARG 8 2HH2 ARG 8 0.423 -10.972 -7.276
43 H ARG 9 H ARG 9 8.923 -7.353 -8.073
44 HA ARG 9 HA ARG 9 8.797 -9.937 -6.912
45 HB3 ARG 9 2HB ARG 9 9.713 -10.686 -9.103
46 HG3 ARG 9 2HG ARG 9 12.464 -9.843 -8.643
47 HD3 ARG 9 2HD ARG 9 12.328 -9.084 -11.024
48 HE ARG 9 HE ARG 9 12.541 -11.613 -10.399
49 HH11 ARG 9 1HH1 ARG 9 9.922 -10.392 -12.533
50 HH12 ARG 9 2HH1 ARG 9 10.258 -11.552 -13.773
51 HH21 ARG 9 1HH2 ARG 9 12.687 -13.371 -12.019
52 HH22 ARG 9 2HH2 ARG 9 11.409 -13.403 -13.207
53 H ARG 10 H ARG 10 11.067 -10.255 -5.678
54 HA ARG 10 HA ARG 10 11.858 -8.033 -4.112
55 HB3 ARG 10 2HB ARG 10 13.805 -9.522 -3.549
56 HG3 ARG 10 2HG ARG 10 10.960 -10.568 -3.329
57 HD3 ARG 10 2HD ARG 10 13.398 -11.589 -1.861
58 HE ARG 10 HE ARG 10 10.683 -11.646 -1.109
59 HH11 ARG 10 1HH1 ARG 10 13.435 -13.816 -1.387
60 HH12 ARG 10 2HH1 ARG 10 12.723 -15.107 -0.464
61 HH21 ARG 10 1HH2 ARG 10 9.661 -13.383 0.118
62 HH22 ARG 10 2HH2 ARG 10 10.573 -14.774 0.519
63 H ARG 11 H ARG 11 11.997 -6.515 -6.154
64 HA ARG 11 HA ARG 11 14.822 -5.999 -6.619
65 HB3 ARG 11 2HB ARG 11 13.297 -6.035 -9.193
66 HG3 ARG 11 2HG ARG 11 15.825 -5.620 -9.007
67 HD3 ARG 11 2HD ARG 11 15.644 -8.602 -8.368
68 HE ARG 11 HE ARG 11 17.281 -8.607 -10.029
69 HH11 ARG 11 1HH1 ARG 11 18.275 -6.196 -7.548
70 HH12 ARG 11 2HH1 ARG 11 19.950 -6.479 -7.874
71 HH21 ARG 11 1HH2 ARG 11 19.458 -8.430 -10.713
72 HH22 ARG 11 2HH2 ARG 11 20.586 -7.653 -9.650
73 H THR 12 H THR 12 12.326 -4.691 -5.507
74 HA THR 12 HA THR 12 12.879 -2.058 -6.621
75 HB THR 12 HB THR 12 11.121 -3.089 -8.069
76 HG1 THR 12 1HG THR 12 10.207 -1.202 -8.347
77 HG21 THR 12 3HG2 THR 12 9.250 -2.596 -5.733
78 HG22 THR 12 1HG2 THR 12 9.731 -4.192 -6.386
79 HG23 THR 12 2HG2 THR 12 8.796 -3.050 -7.370
80 H ALA 13 H ALA 13 10.783 -0.670 -5.326
81 HA ALA 13 HA ALA 13 11.753 -0.463 -2.669
82 HB1 ALA 13 1HB ALA 13 10.566 1.377 -3.706
83 HB2 ALA 13 2HB ALA 13 9.094 0.398 -3.881
84 HB3 ALA 13 3HB ALA 13 9.668 0.872 -2.265
85 H PHE 14 H PHE 14 8.893 -2.228 -3.951
86 HA PHE 14 HA PHE 14 8.583 -3.623 -1.345
87 HB3 PHE 14 2HB PHE 14 6.154 -3.741 -1.855
88 HD1 PHE 14 1HD PHE 14 7.023 -0.456 -3.218
89 HD2 PHE 14 2HD PHE 14 6.199 -2.621 0.389
90 HE1 PHE 14 1HE PHE 14 6.824 1.712 -1.975
91 HE2 PHE 14 2HE PHE 14 5.934 -0.472 1.621
92 HZ PHE 14 HZ PHE 14 6.286 1.685 0.436
93 H THR 15 H THR 15 8.419 -5.894 -1.583
94 HA THR 15 HA THR 15 9.265 -6.913 -4.142
95 HB THR 15 HB THR 15 9.597 -8.964 -3.113
96 HG1 THR 15 1HG THR 15 8.713 -9.417 -1.016
97 HG21 THR 15 3HG2 THR 15 9.969 -6.888 -0.867
98 HG22 THR 15 1HG2 THR 15 11.140 -7.278 -2.123
99 HG23 THR 15 2HG2 THR 15 10.700 -8.460 -0.892
100 H SER 16 H SER 16 7.948 -9.280 -4.751
101 HA SER 16 HA SER 16 5.308 -8.471 -5.634
102 HB3 SER 16 2HB SER 16 6.335 -10.091 -6.961
103 HG SER 16 HG SER 16 6.748 -11.958 -4.911
104 H GLU 17 H GLU 17 6.687 -10.266 -2.873
105 HA GLU 17 HA GLU 17 4.309 -11.345 -1.799
106 HB3 GLU 17 2HB GLU 17 6.860 -10.578 -0.343
107 HG3 GLU 17 2HG GLU 17 5.246 -13.136 -0.352
108 H GLN 18 H GLN 18 6.374 -8.525 -0.918
109 HA GLN 18 HA GLN 18 4.642 -7.487 1.032
110 HB3 GLN 18 2HB GLN 18 5.819 -5.325 0.631
111 HG3 GLN 18 2HG GLN 18 7.630 -7.789 0.768
112 HE21 GLN 18 1HE2 GLN 18 8.602 -6.602 3.368
113 HE22 GLN 18 2HE2 GLN 18 9.555 -5.238 2.949
114 H LEU 19 H LEU 19 4.739 -6.685 -2.538
115 HA LEU 19 HA LEU 19 2.704 -4.701 -2.248
116 HB3 LEU 19 2HB LEU 19 2.230 -5.302 -4.734
117 HG LEU 19 HG LEU 19 5.104 -4.552 -4.096
118 HD11 LEU 19 1HD1 LEU 19 4.581 -5.269 -6.456
119 HD12 LEU 19 2HD1 LEU 19 5.099 -3.585 -6.334
120 HD13 LEU 19 3HD1 LEU 19 3.381 -3.975 -6.546
121 HD21 LEU 19 3HD2 LEU 19 2.631 -2.799 -4.429
122 HD22 LEU 19 1HD2 LEU 19 4.309 -2.208 -4.389
123 HD23 LEU 19 2HD2 LEU 19 3.628 -2.957 -2.964
124 H LEU 20 H LEU 20 2.371 -8.265 -2.629
125 HA LEU 20 HA LEU 20 -0.485 -8.121 -3.041
126 HB3 LEU 20 2HB LEU 20 1.392 -10.019 -3.477
127 HG LEU 20 HG LEU 20 1.164 -10.632 -0.870
128 HD11 LEU 20 1HD1 LEU 20 -0.502 -12.430 -0.567
129 HD12 LEU 20 2HD1 LEU 20 -1.210 -12.064 -2.151
130 HD13 LEU 20 3HD1 LEU 20 -1.272 -10.882 -0.811
131 HD21 LEU 20 3HD2 LEU 20 2.438 -11.812 -2.723
132 HD22 LEU 20 1HD2 LEU 20 1.042 -12.917 -2.778
133 HD23 LEU 20 2HD2 LEU 20 1.953 -12.693 -1.271
134 H GLU 21 H GLU 21 1.630 -8.468 -0.185
135 HA GLU 21 HA GLU 21 -0.524 -9.087 1.614
136 HB3 GLU 21 2HB GLU 21 1.248 -8.651 3.351
137 HG3 GLU 21 2HG GLU 21 2.887 -10.415 2.654
138 H LEU 22 H LEU 22 0.677 -6.191 0.260
139 HA LEU 22 HA LEU 22 -0.212 -4.346 2.382
140 HB3 LEU 22 2HB LEU 22 0.549 -2.781 0.302
141 HG LEU 22 HG LEU 22 1.723 -2.588 2.258
142 HD11 LEU 22 1HD1 LEU 22 1.750 -4.673 3.361
143 HD12 LEU 22 2HD1 LEU 22 3.427 -4.155 3.174
144 HD13 LEU 22 3HD1 LEU 22 2.773 -5.412 2.138
145 HD21 LEU 22 3HD2 LEU 22 2.986 -2.105 0.140
146 HD22 LEU 22 1HD2 LEU 22 3.715 -3.717 0.241
147 HD23 LEU 22 2HD2 LEU 22 4.057 -2.509 1.496
148 H GLU 23 H GLU 23 -1.119 -5.096 -1.035
149 HA GLU 23 HA GLU 23 -3.401 -3.337 -1.004
150 HB3 GLU 23 2HB GLU 23 -2.408 -4.143 -3.083
151 HG3 GLU 23 2HG GLU 23 -3.269 -6.872 -2.077
152 H LYS 24 H LYS 24 -2.774 -6.384 0.481
153 HA LYS 24 HA LYS 24 -5.375 -7.298 1.040
154 HB3 LYS 24 2HB LYS 24 -3.464 -7.534 3.279
155 HG3 LYS 24 2HG LYS 24 -5.387 -9.143 2.290
156 HD3 LYS 24 2HD LYS 24 -4.278 -11.147 1.340
157 HE3 LYS 24 2HE LYS 24 -3.839 -8.712 -0.451
158 HZ1 LYS 24 3HZ LYS 24 -3.081 -10.787 -1.364
159 HZ2 LYS 24 1HZ LYS 24 -4.437 -10.330 -2.173
160 HZ3 LYS 24 2HZ LYS 24 -4.518 -11.525 -1.035
161 H GLU 25 H GLU 25 -3.303 -5.124 3.056
162 HA GLU 25 HA GLU 25 -5.363 -4.747 4.947
163 HB3 GLU 25 2HB GLU 25 -3.575 -2.651 5.406
164 HG3 GLU 25 2HG GLU 25 -2.270 -4.481 6.704
165 H PHE 26 H PHE 26 -4.914 -3.065 1.955
166 HA PHE 26 HA PHE 26 -6.250 -0.612 2.825
167 HB3 PHE 26 2HB PHE 26 -5.975 -1.725 0.010
168 HD1 PHE 26 1HD PHE 26 -5.538 1.632 1.694
169 HD2 PHE 26 2HD PHE 26 -7.659 -0.659 -1.275
170 HE1 PHE 26 1HE PHE 26 -6.672 3.707 0.908
171 HE2 PHE 26 2HE PHE 26 -8.804 1.400 -2.048
172 HZ PHE 26 HZ PHE 26 -8.331 3.578 -0.947
173 H HIS 27 H HIS 27 -7.336 -3.806 2.345
174 HA HIS 27 HA HIS 27 -9.933 -3.324 1.288
175 HB3 HIS 27 2HB HIS 27 -8.835 -5.625 2.915
176 HD1 HIS 27 1HD HIS 27 -10.294 -7.678 3.006
177 HD2 HIS 27 2HD HIS 27 -11.565 -4.815 0.193
178 HE1 HIS 27 1HE HIS 27 -12.452 -8.606 1.937
179 H CYS 28 H CYS 28 -8.799 -3.869 4.783
180 HA CYS 28 HA CYS 28 -11.478 -2.836 5.572
181 HB3 CYS 28 2HB CYS 28 -11.276 -3.955 7.632
182 HG CYS 28 HG CYS 28 -10.053 -5.991 5.353
183 H LYS 29 H LYS 29 -8.043 -1.951 5.690
184 HA LYS 29 HA LYS 29 -8.965 0.406 7.283
185 HB3 LYS 29 2HB LYS 29 -6.667 0.577 8.149
186 HG3 LYS 29 2HG LYS 29 -7.890 -2.089 8.959
187 HD3 LYS 29 2HD LYS 29 -6.432 0.144 10.437
188 HE3 LYS 29 2HE LYS 29 -8.512 -0.890 11.610
189 HZ1 LYS 29 3HZ LYS 29 -7.821 -3.267 11.160
190 HZ2 LYS 29 1HZ LYS 29 -8.081 -2.886 12.739
191 HZ3 LYS 29 2HZ LYS 29 -6.566 -3.018 12.221
192 H LYS 30 H LYS 30 -9.308 1.902 5.793
193 HA LYS 30 HA LYS 30 -7.862 2.132 3.303
194 HB3 LYS 30 2HB LYS 30 -8.881 4.435 3.254
195 HG3 LYS 30 2HG LYS 30 -11.288 3.909 3.378
196 HD3 LYS 30 2HD LYS 30 -9.714 1.665 2.035
197 HE3 LYS 30 2HE LYS 30 -11.539 1.613 0.416
198 HZ1 LYS 30 3HZ LYS 30 -12.790 1.425 3.083
199 HZ2 LYS 30 1HZ LYS 30 -11.765 0.303 2.534
200 HZ3 LYS 30 2HZ LYS 30 -13.193 0.571 1.754
201 H TYR 31 H TYR 31 -7.410 3.418 6.622
202 HA TYR 31 HA TYR 31 -4.642 4.003 5.927
203 HB3 TYR 31 2HB TYR 31 -5.455 6.200 5.627
204 HD1 TYR 31 2HD TYR 31 -7.900 6.335 5.299
205 HD2 TYR 31 1HD TYR 31 -6.152 6.400 9.238
206 HE1 TYR 31 2HE TYR 31 -9.976 7.371 6.196
207 HE2 TYR 31 1HE TYR 31 -8.254 7.321 10.157
208 HH TYR 31 HH TYR 31 -10.372 7.946 9.696
209 H LEU 32 H LEU 32 -3.324 3.347 7.490
210 HA LEU 32 HA LEU 32 -4.322 1.983 9.861
211 HB3 LEU 32 2HB LEU 32 -1.873 1.653 10.148
212 HG LEU 32 HG LEU 32 -1.446 0.165 8.548
213 HD11 LEU 32 1HD1 LEU 32 -4.416 0.514 8.011
214 HD12 LEU 32 2HD1 LEU 32 -3.707 -0.386 9.383
215 HD13 LEU 32 3HD1 LEU 32 -3.494 -0.945 7.729
216 HD21 LEU 32 3HD2 LEU 32 -1.074 1.681 6.694
217 HD22 LEU 32 1HD2 LEU 32 -2.825 1.781 6.380
218 HD23 LEU 32 2HD2 LEU 32 -1.970 0.255 6.175
219 H SER 33 H SER 33 -4.179 2.645 11.857
220 HA SER 33 HA SER 33 -3.382 5.380 12.561
221 HB3 SER 33 2HB SER 33 -3.906 4.416 14.880
222 HG SER 33 HG SER 33 -6.083 3.825 13.302
223 H LEU 34 H LEU 34 -1.781 5.395 14.512
224 HA LEU 34 HA LEU 34 0.742 4.921 13.435
225 HB3 LEU 34 2HB LEU 34 0.589 5.127 16.413
226 HG LEU 34 HG LEU 34 1.580 7.035 14.249
227 HD11 LEU 34 1HD1 LEU 34 0.852 8.209 16.268
228 HD12 LEU 34 2HD1 LEU 34 2.619 8.258 16.124
229 HD13 LEU 34 3HD1 LEU 34 1.858 7.147 17.278
230 HD21 LEU 34 3HD2 LEU 34 2.964 4.981 14.401
231 HD22 LEU 34 1HD2 LEU 34 3.123 5.205 16.143
232 HD23 LEU 34 2HD2 LEU 34 3.832 6.379 15.024
233 H THR 35 H THR 35 -1.016 3.129 15.928
234 HA THR 35 HA THR 35 1.029 1.199 16.465
235 HB THR 35 HB THR 35 -1.956 0.824 16.805
236 HG1 THR 35 1HG THR 35 -0.315 2.198 18.669
237 HG21 THR 35 3HG2 THR 35 0.449 -0.090 18.446
238 HG22 THR 35 1HG2 THR 35 -0.649 -1.099 17.486
239 HG23 THR 35 2HG2 THR 35 -1.242 -0.291 18.942
240 H GLU 36 H GLU 36 -1.786 1.230 14.216
241 HA GLU 36 HA GLU 36 -1.652 -1.506 13.513
242 HB3 GLU 36 2HB GLU 36 -3.134 -0.996 11.691
243 HG3 GLU 36 2HG GLU 36 -4.871 0.369 12.827
244 H ARG 37 H ARG 37 -0.317 1.454 12.151
245 HA ARG 37 HA ARG 37 0.920 0.509 9.777
246 HB3 ARG 37 2HB ARG 37 1.715 2.791 11.647
247 HG3 ARG 37 2HG ARG 37 2.009 2.496 8.627
248 HD3 ARG 37 2HD ARG 37 1.334 4.781 9.333
249 HE ARG 37 HE ARG 37 3.572 4.484 11.255
250 HH11 ARG 37 1HH1 ARG 37 1.129 6.750 9.984
251 HH12 ARG 37 2HH1 ARG 37 1.406 7.894 11.237
252 HH21 ARG 37 1HH2 ARG 37 4.121 5.997 12.597
253 HH22 ARG 37 2HH2 ARG 37 3.461 7.619 12.591
254 H SER 38 H SER 38 2.021 0.580 13.152
255 HA SER 38 HA SER 38 4.705 -0.260 12.842
256 HB3 SER 38 2HB SER 38 3.241 -1.414 15.121
257 HG SER 38 HG SER 38 4.859 -0.604 16.167
258 H GLN 39 H GLN 39 1.592 -2.120 12.984
259 HA GLN 39 HA GLN 39 2.833 -4.672 13.237
260 HB3 GLN 39 2HB GLN 39 0.675 -5.605 12.756
261 HG3 GLN 39 2HG GLN 39 0.306 -3.062 14.377
262 HE21 GLN 39 1HE2 GLN 39 -1.346 -3.254 16.112
263 HE22 GLN 39 2HE2 GLN 39 -2.703 -4.288 15.802
264 H ILE 40 H ILE 40 1.425 -3.018 10.379
265 HA ILE 40 HA ILE 40 2.082 -5.016 8.500
266 HB ILE 40 HB ILE 40 1.953 -2.009 8.098
267 HG13 ILE 40 2HG1 ILE 40 -0.113 -2.889 9.100
268 HG21 ILE 40 1HG2 ILE 40 3.042 -3.192 6.177
269 HG22 ILE 40 2HG2 ILE 40 1.628 -4.264 6.058
270 HG23 ILE 40 3HG2 ILE 40 1.484 -2.526 5.716
271 HD11 ILE 40 3HD1 ILE 40 -0.731 -2.540 6.156
272 HD12 ILE 40 1HD1 ILE 40 -1.703 -2.135 7.576
273 HD13 ILE 40 2HD1 ILE 40 -0.244 -1.187 7.209
274 H ALA 41 H ALA 41 4.093 -2.249 9.660
275 HA ALA 41 HA ALA 41 6.231 -2.835 7.842
276 HB1 ALA 41 1HB ALA 41 6.015 -0.640 9.010
277 HB2 ALA 41 2HB ALA 41 6.263 -1.430 10.572
278 HB3 ALA 41 3HB ALA 41 7.580 -1.375 9.394
279 H HIS 42 H HIS 42 5.423 -4.160 11.035
280 HA HIS 42 HA HIS 42 8.026 -5.469 11.301
281 HB3 HIS 42 2HB HIS 42 6.988 -6.406 13.347
282 HD1 HIS 42 1HD HIS 42 6.812 -4.840 15.673
283 HD2 HIS 42 2HD HIS 42 7.603 -2.871 12.022
284 HE1 HIS 42 1HE HIS 42 7.694 -2.545 16.254
285 H ALA 43 H ALA 43 4.778 -6.353 10.219
286 HA ALA 43 HA ALA 43 5.043 -9.143 9.851
287 HB1 ALA 43 1HB ALA 43 3.467 -6.956 8.528
288 HB2 ALA 43 2HB ALA 43 3.522 -8.553 7.795
289 HB3 ALA 43 3HB ALA 43 2.903 -8.340 9.462
290 H LEU 44 H LEU 44 5.262 -6.835 7.074
291 HA LEU 44 HA LEU 44 6.686 -8.731 5.627
292 HB3 LEU 44 2HB LEU 44 6.609 -6.875 4.005
293 HG LEU 44 HG LEU 44 4.420 -6.893 3.630
294 HD11 LEU 44 1HD1 LEU 44 4.431 -9.119 5.665
295 HD12 LEU 44 2HD1 LEU 44 4.873 -9.242 3.942
296 HD13 LEU 44 3HD1 LEU 44 3.218 -8.864 4.438
297 HD21 LEU 44 3HD2 LEU 44 2.589 -6.480 4.942
298 HD22 LEU 44 1HD2 LEU 44 3.873 -5.317 5.322
299 HD23 LEU 44 2HD2 LEU 44 3.516 -6.669 6.417
300 H LYS 45 H LYS 45 8.074 -6.591 7.812
301 HA LYS 45 HA LYS 45 10.075 -5.638 8.110
302 HB3 LYS 45 2HB LYS 45 11.544 -6.867 5.807
303 HG3 LYS 45 2HG LYS 45 12.329 -5.485 7.938
304 HD3 LYS 45 2HD LYS 45 12.857 -8.220 9.052
305 HE3 LYS 45 2HE LYS 45 11.756 -5.870 10.605
306 HZ1 LYS 45 3HZ LYS 45 13.984 -7.636 11.366
307 HZ2 LYS 45 1HZ LYS 45 12.436 -8.178 11.516
308 HZ3 LYS 45 2HZ LYS 45 12.908 -6.860 12.343
309 H LEU 46 H LEU 46 8.708 -3.858 7.463
310 HA LEU 46 HA LEU 46 9.958 -2.348 5.284
311 HB3 LEU 46 2HB LEU 46 7.583 -1.229 5.219
312 HG LEU 46 HG LEU 46 8.148 -3.968 4.070
313 HD11 LEU 46 1HD1 LEU 46 5.707 -3.586 4.215
314 HD12 LEU 46 2HD1 LEU 46 6.282 -3.685 2.545
315 HD13 LEU 46 3HD1 LEU 46 5.903 -2.105 3.270
316 HD21 LEU 46 3HD2 LEU 46 8.510 -2.762 1.931
317 HD22 LEU 46 1HD2 LEU 46 9.641 -2.216 3.163
318 HD23 LEU 46 2HD2 LEU 46 8.228 -1.221 2.751
319 H SER 47 H SER 47 8.966 0.029 5.891
320 HA SER 47 HA SER 47 9.592 0.538 8.761
321 HB3 SER 47 2HB SER 47 10.769 2.541 8.132
322 HG SER 47 HG SER 47 12.160 0.866 7.816
323 H GLU 48 H GLU 48 8.147 2.112 9.655
324 HA GLU 48 HA GLU 48 5.572 2.318 8.827
325 HB3 GLU 48 2HB GLU 48 5.479 4.467 10.104
326 HG3 GLU 48 2HG GLU 48 7.158 2.424 11.566
327 H VAL 49 H VAL 49 8.190 4.320 7.555
328 HA VAL 49 HA VAL 49 6.440 6.260 6.284
329 HB VAL 49 HB VAL 49 9.419 5.734 6.228
330 HG11 VAL 49 1HG1 VAL 49 9.682 7.847 4.942
331 HG12 VAL 49 2HG1 VAL 49 8.949 6.567 3.978
332 HG13 VAL 49 3HG1 VAL 49 7.917 7.862 4.638
333 HG21 VAL 49 3HG2 VAL 49 9.374 8.012 7.286
334 HG22 VAL 49 1HG2 VAL 49 7.607 8.008 7.199
335 HG23 VAL 49 2HG2 VAL 49 8.459 6.821 8.218
336 H GLN 50 H GLN 50 8.116 3.241 5.215
337 HA GLN 50 HA GLN 50 7.406 3.556 2.441
338 HB3 GLN 50 2HB GLN 50 7.709 1.092 2.398
339 HG3 GLN 50 2HG GLN 50 10.085 1.565 3.982
340 HE21 GLN 50 1HE2 GLN 50 9.058 2.248 0.512
341 HE22 GLN 50 2HE2 GLN 50 10.083 0.986 -0.132
342 H VAL 51 H VAL 51 5.873 2.128 5.342
343 HA VAL 51 HA VAL 51 3.627 1.007 3.951
344 HB VAL 51 HB VAL 51 3.691 1.986 6.834
345 HG11 VAL 51 1HG1 VAL 51 2.009 -0.171 5.511
346 HG12 VAL 51 2HG1 VAL 51 1.994 0.267 7.233
347 HG13 VAL 51 3HG1 VAL 51 1.442 1.423 6.016
348 HG21 VAL 51 3HG2 VAL 51 5.470 0.546 6.999
349 HG22 VAL 51 1HG2 VAL 51 4.180 -0.620 7.191
350 HG23 VAL 51 2HG2 VAL 51 5.004 -0.444 5.630
351 H LYS 52 H LYS 52 4.033 4.063 5.719
352 HA LYS 52 HA LYS 52 1.573 5.264 5.248
353 HB3 LYS 52 2HB LYS 52 4.371 6.298 5.706
354 HG3 LYS 52 2HG LYS 52 1.823 7.950 5.741
355 HD3 LYS 52 2HD LYS 52 4.494 8.145 7.192
356 HE3 LYS 52 2HE LYS 52 2.696 10.413 6.287
357 HZ1 LYS 52 3HZ LYS 52 4.735 10.219 8.431
358 HZ2 LYS 52 1HZ LYS 52 3.222 10.896 8.506
359 HZ3 LYS 52 2HZ LYS 52 4.476 11.628 7.681
360 H ILE 53 H ILE 53 4.571 5.755 3.229
361 HA ILE 53 HA ILE 53 3.331 7.580 1.439
362 HB ILE 53 HB ILE 53 5.754 5.719 1.179
363 HG13 ILE 53 2HG1 ILE 53 5.845 7.568 2.922
364 HG21 ILE 53 1HG2 ILE 53 4.973 8.002 -0.702
365 HG22 ILE 53 2HG2 ILE 53 6.471 7.050 -0.777
366 HG23 ILE 53 3HG2 ILE 53 4.949 6.268 -1.105
367 HD11 ILE 53 3HD1 ILE 53 7.718 8.216 0.620
368 HD12 ILE 53 1HD1 ILE 53 7.969 8.483 2.341
369 HD13 ILE 53 2HD1 ILE 53 7.943 6.824 1.717
370 H TRP 54 H TRP 54 3.835 3.971 1.206
371 HA TRP 54 HA TRP 54 2.687 3.752 -1.379
372 HB3 TRP 54 2HB TRP 54 2.590 1.744 0.842
373 HD1 TRP 54 HD TRP 54 4.054 0.965 -2.551
374 HE1 TRP 54 1HE TRP 54 2.603 -0.677 -3.808
375 HE3 TRP 54 3HE TRP 54 0.068 0.928 0.628
376 HZ2 TRP 54 2HZ TRP 54 -0.008 -2.082 -3.336
377 HZ3 TRP 54 3HZ TRP 54 -1.840 -0.532 0.244
378 HH2 TRP 54 HH TRP 54 -1.915 -2.009 -1.790
379 H PHE 55 H PHE 55 1.130 3.350 1.894
380 HA PHE 55 HA PHE 55 -1.481 2.955 0.845
381 HB3 PHE 55 2HB PHE 55 -2.070 3.998 3.226
382 HD1 PHE 55 2HD PHE 55 0.461 1.215 3.123
383 HD2 PHE 55 1HD PHE 55 -3.713 2.323 3.332
384 HE1 PHE 55 2HE PHE 55 -0.168 -1.163 3.353
385 HE2 PHE 55 1HE PHE 55 -4.307 -0.057 3.639
386 HZ PHE 55 HZ PHE 55 -2.545 -1.800 3.520
387 H GLN 56 H GLN 56 0.259 5.992 1.621
388 HA GLN 56 HA GLN 56 -1.876 7.814 1.231
389 HB3 GLN 56 2HB GLN 56 0.223 9.255 0.396
390 HG3 GLN 56 2HG GLN 56 1.050 8.827 3.094
391 HE21 GLN 56 1HE2 GLN 56 1.900 10.799 2.142
392 HE22 GLN 56 2HE2 GLN 56 0.999 12.263 2.337
393 H ASN 57 H ASN 57 0.361 6.242 -1.181
394 HA ASN 57 HA ASN 57 -0.613 7.808 -3.395
395 HB3 ASN 57 2HB ASN 57 0.692 5.968 -4.589
396 HD21 ASN 57 1HD2 ASN 57 3.349 5.668 -3.287
397 HD22 ASN 57 2HD2 ASN 57 4.072 7.233 -3.369
398 H ARG 58 H ARG 58 -1.044 4.469 -2.187
399 HA ARG 58 HA ARG 58 -2.830 3.494 -4.091
400 HB3 ARG 58 2HB ARG 58 -2.533 2.969 -1.102
401 HG3 ARG 58 2HG ARG 58 -4.703 1.982 -1.950
402 HD3 ARG 58 2HD ARG 58 -2.899 0.183 -3.624
403 HE ARG 58 HE ARG 58 -4.873 -0.967 -3.665
404 HH11 ARG 58 1HH1 ARG 58 -5.720 2.495 -4.167
405 HH12 ARG 58 2HH1 ARG 58 -7.271 2.079 -4.834
406 HH21 ARG 58 1HH2 ARG 58 -6.821 -1.399 -4.445
407 HH22 ARG 58 2HH2 ARG 58 -7.912 -0.229 -5.089
408 H ARG 59 H ARG 59 -3.580 5.283 -1.053
409 HA ARG 59 HA ARG 59 -6.396 5.090 -1.411
410 HB3 ARG 59 2HB ARG 59 -4.987 7.284 0.181
411 HG3 ARG 59 2HG ARG 59 -7.603 5.754 0.314
412 HD3 ARG 59 2HD ARG 59 -6.595 5.473 2.501
413 HE ARG 59 HE ARG 59 -5.327 7.226 3.178
414 HH11 ARG 59 1HH1 ARG 59 -8.562 8.412 2.425
415 HH12 ARG 59 2HH1 ARG 59 -8.520 9.782 3.441
416 HH21 ARG 59 1HH2 ARG 59 -5.259 9.142 4.702
417 HH22 ARG 59 2HH2 ARG 59 -6.724 9.999 4.958
418 H ALA 60 H ALA 60 -4.023 7.414 -2.651
419 HA ALA 60 HA ALA 60 -5.856 9.446 -3.381
420 HB1 ALA 60 1HB ALA 60 -4.095 10.238 -4.822
421 HB2 ALA 60 2HB ALA 60 -3.380 9.645 -3.301
422 HB3 ALA 60 3HB ALA 60 -3.278 8.663 -4.777
423 H LYS 61 H LYS 61 -4.801 6.478 -5.183
424 HA LYS 61 HA LYS 61 -6.235 6.952 -7.549
425 HB3 LYS 61 2HB LYS 61 -6.069 4.185 -6.268
426 HG3 LYS 61 2HG LYS 61 -5.617 4.913 -9.171
427 HD3 LYS 61 2HD LYS 61 -7.014 2.488 -7.937
428 HE3 LYS 61 2HE LYS 61 -6.063 2.950 -10.788
429 HZ1 LYS 61 3HZ LYS 61 -8.230 1.180 -9.769
430 HZ2 LYS 61 1HZ LYS 61 -6.768 0.695 -10.410
431 HZ3 LYS 61 2HZ LYS 61 -7.849 1.447 -11.330
432 H TRP 62 H TRP 62 -7.388 5.465 -4.534
433 HA TRP 62 HA TRP 62 -10.024 4.806 -5.337
434 HB3 TRP 62 2HB TRP 62 -8.657 5.313 -2.699
435 HD1 TRP 62 HD TRP 62 -11.897 3.369 -3.511
436 HE1 TRP 62 1HE TRP 62 -13.506 3.660 -1.571
437 HE3 TRP 62 3HE TRP 62 -9.309 6.890 -0.909
438 HZ2 TRP 62 2HZ TRP 62 -13.611 5.190 0.911
439 HZ3 TRP 62 3HZ TRP 62 -10.172 7.741 1.287
440 HH2 TRP 62 HH TRP 62 -12.276 6.822 2.232
441 H LYS 63 H LYS 63 -8.724 7.923 -4.131
442 HA LYS 63 HA LYS 63 -11.273 9.099 -3.595
443 HB3 LYS 63 2HB LYS 63 -9.901 11.281 -4.035
444 HG3 LYS 63 2HG LYS 63 -8.309 10.188 -1.931
445 HD3 LYS 63 2HD LYS 63 -10.986 11.626 -1.891
446 HE3 LYS 63 2HE LYS 63 -8.866 11.431 0.281
447 HZ1 LYS 63 3HZ LYS 63 -9.648 13.661 0.199
448 HZ2 LYS 63 1HZ LYS 63 -10.415 12.942 1.453
449 HZ3 LYS 63 2HZ LYS 63 -11.204 13.225 0.020
450 H ARG 64 H ARG 64 -9.789 8.398 -6.685
451 HA ARG 64 HA ARG 64 -11.741 10.144 -8.099
452 HB3 ARG 64 2HB ARG 64 -10.360 9.057 -10.106
453 HG3 ARG 64 2HG ARG 64 -8.474 10.643 -9.828
454 HD3 ARG 64 2HD ARG 64 -11.053 12.099 -9.208
455 HE ARG 64 HE ARG 64 -9.254 13.543 -9.831
456 HH11 ARG 64 1HH1 ARG 64 -10.732 11.735 -12.489
457 HH12 ARG 64 2HH1 ARG 64 -9.806 12.494 -13.749
458 HH21 ARG 64 1HH2 ARG 64 -8.203 14.726 -11.483
459 HH22 ARG 64 2HH2 ARG 64 -8.288 14.263 -13.150
460 H ILE 65 H ILE 65 -12.034 7.221 -6.656
461 HA ILE 65 HA ILE 65 -13.719 6.064 -8.829
462 HB ILE 65 HB ILE 65 -11.987 4.621 -6.777
463 HG13 ILE 65 2HG1 ILE 65 -10.666 5.632 -8.563
464 HG21 ILE 65 1HG2 ILE 65 -13.670 3.414 -9.010
465 HG22 ILE 65 2HG2 ILE 65 -12.651 2.524 -7.862
466 HG23 ILE 65 3HG2 ILE 65 -14.081 3.347 -7.283
467 HD11 ILE 65 3HD1 ILE 65 -10.910 2.690 -9.249
468 HD12 ILE 65 1HD1 ILE 65 -9.554 3.770 -9.563
469 HD13 ILE 65 2HD1 ILE 65 -9.967 3.356 -7.892
470 H LYS 66 H LYS 66 -13.422 6.734 -5.342
471 HA LYS 66 HA LYS 66 -15.912 5.517 -4.601
472 HB3 LYS 66 2HB LYS 66 -14.183 6.388 -2.999
473 HG3 LYS 66 2HG LYS 66 -15.447 9.099 -3.547
474 HD3 LYS 66 2HD LYS 66 -13.200 8.394 -1.778
475 HE3 LYS 66 2HE LYS 66 -12.902 10.599 -2.781
476 HZ1 LYS 66 3HZ LYS 66 -15.321 11.004 -3.358
477 HZ2 LYS 66 1HZ LYS 66 -14.493 12.272 -2.782
478 HZ3 LYS 66 2HZ LYS 66 -15.539 11.509 -1.803
479 H ALA 67 H ALA 67 -17.773 5.924 -5.672
480 HA ALA 67 HA ALA 67 -19.540 6.893 -6.594
481 HB1 ALA 67 1HB ALA 67 -18.576 9.479 -5.304
482 HB2 ALA 67 2HB ALA 67 -20.140 9.245 -6.061
483 HB3 ALA 67 3HB ALA 67 -19.718 8.305 -4.612
484 H GLY 68 H GLY 68 -16.481 8.488 -7.304
485 HA2 GLY 68 1HA GLY 68 -17.428 9.852 -9.701
486 HA3 GLY 68 2HA GLY 68 -15.760 9.681 -9.147
487 H ASN 69 H ASN 69 -18.087 8.582 -11.442
488 HA ASN 69 HA ASN 69 -16.017 6.683 -12.471
489 HB3 ASN 69 2HB ASN 69 -17.617 5.576 -13.787
490 HD21 ASN 69 1HD2 ASN 69 -20.437 5.502 -12.652
491 HD22 ASN 69 2HD2 ASN 69 -20.318 4.703 -11.102
492 H VAL 70 H VAL 70 -14.690 8.133 -13.531
493 HA VAL 70 HA VAL 70 -16.013 9.848 -15.591
494 HB VAL 70 HB VAL 70 -14.739 11.065 -13.909
495 HG11 VAL 70 1HG1 VAL 70 -12.963 9.604 -13.284
496 HG12 VAL 70 2HG1 VAL 70 -12.354 9.492 -14.954
497 HG13 VAL 70 3HG1 VAL 70 -12.223 11.009 -14.040
498 HG21 VAL 70 3HG2 VAL 70 -15.016 11.919 -16.231
499 HG22 VAL 70 1HG2 VAL 70 -13.593 12.546 -15.383
500 HG23 VAL 70 2HG2 VAL 70 -13.404 11.277 -16.611
501 H SER 71 H SER 71 -14.485 6.953 -15.190
502 HA SER 71 HA SER 71 -14.107 6.616 -18.109
503 HB3 SER 71 2HB SER 71 -13.544 4.327 -17.544
504 HG SER 71 HG SER 71 -11.913 6.017 -17.126
Start of MODEL 9
1 H1 SER 1 H SER 1 0.290 -19.745 -16.302
2 HA SER 1 HA SER 1 -0.218 -19.411 -18.585
3 HB3 SER 1 2HB SER 1 -3.167 -19.241 -18.090
4 HG SER 1 HG SER 1 -2.619 -18.937 -20.112
5 H ALA 2 H ALA 2 0.672 -17.346 -18.551
6 HA ALA 2 HA ALA 2 -0.851 -15.078 -17.561
7 HB1 ALA 2 1HB ALA 2 1.056 -14.515 -15.926
8 HB2 ALA 2 2HB ALA 2 0.087 -15.916 -15.450
9 HB3 ALA 2 3HB ALA 2 1.679 -16.137 -16.205
10 HA PRO 3 HA PRO 3 1.691 -13.204 -20.695
11 HB3 PRO 3 2HB PRO 3 0.662 -11.159 -20.237
12 HG3 PRO 3 2HG PRO 3 0.341 -10.431 -17.950
13 HD3 PRO 3 2HD PRO 3 -0.745 -12.525 -18.360
14 H GLY 4 H GLY 4 3.853 -13.011 -21.284
15 HA2 GLY 4 1HA GLY 4 5.857 -13.873 -19.298
16 HA3 GLY 4 2HA GLY 4 6.024 -13.766 -21.060
17 H GLY 5 H GLY 5 5.838 -11.813 -18.085
18 HA2 GLY 5 1HA GLY 5 8.013 -10.149 -18.824
19 HA3 GLY 5 2HA GLY 5 6.519 -9.286 -19.199
20 H LYS 6 H LYS 6 8.466 -10.723 -16.616
21 HA LYS 6 HA LYS 6 7.290 -9.044 -14.577
22 HB3 LYS 6 2HB LYS 6 7.000 -11.883 -13.713
23 HG3 LYS 6 2HG LYS 6 4.573 -11.021 -13.340
24 HD3 LYS 6 2HD LYS 6 6.835 -9.683 -11.809
25 HE3 LYS 6 2HE LYS 6 3.883 -10.155 -11.226
26 HZ1 LYS 6 3HZ LYS 6 4.928 -10.934 -9.301
27 HZ2 LYS 6 1HZ LYS 6 4.528 -9.375 -8.945
28 HZ3 LYS 6 2HZ LYS 6 6.085 -9.776 -9.316
29 H SER 7 H SER 7 8.799 -8.945 -12.763
30 HA SER 7 HA SER 7 11.021 -10.843 -12.677
31 HB3 SER 7 2HB SER 7 11.815 -9.398 -14.404
32 HG SER 7 HG SER 7 11.451 -7.371 -14.501
33 H ARG 8 H ARG 8 12.581 -10.165 -10.919
34 HA ARG 8 HA ARG 8 11.070 -9.003 -8.602
35 HB3 ARG 8 2HB ARG 8 12.212 -10.561 -7.150
36 HG3 ARG 8 2HG ARG 8 11.169 -12.125 -9.550
37 HD3 ARG 8 2HD ARG 8 12.398 -13.398 -7.680
38 HE ARG 8 HE ARG 8 11.161 -12.303 -5.757
39 HH11 ARG 8 1HH1 ARG 8 9.534 -15.032 -7.355
40 HH12 ARG 8 2HH1 ARG 8 9.091 -15.816 -5.881
41 HH21 ARG 8 1HH2 ARG 8 10.009 -13.009 -3.977
42 HH22 ARG 8 2HH2 ARG 8 9.434 -14.632 -3.806
43 H ARG 9 H ARG 9 11.933 -6.855 -9.125
44 HA ARG 9 HA ARG 9 14.760 -6.329 -9.207
45 HB3 ARG 9 2HB ARG 9 12.455 -4.601 -8.222
46 HG3 ARG 9 2HG ARG 9 14.851 -3.802 -7.573
47 HD3 ARG 9 2HD ARG 9 15.638 -4.180 -10.111
48 HE ARG 9 HE ARG 9 13.790 -2.253 -10.654
49 HH11 ARG 9 1HH1 ARG 9 17.387 -2.063 -10.757
50 HH12 ARG 9 2HH1 ARG 9 17.361 -0.606 -11.682
51 HH21 ARG 9 1HH2 ARG 9 13.911 -0.461 -12.161
52 HH22 ARG 9 2HH2 ARG 9 15.446 0.253 -12.492
53 H ARG 10 H ARG 10 12.431 -6.716 -6.541
54 HA ARG 10 HA ARG 10 12.575 -6.918 -4.379
55 HB3 ARG 10 2HB ARG 10 13.559 -9.066 -5.000
56 HG3 ARG 10 2HG ARG 10 16.200 -7.623 -4.705
57 HD3 ARG 10 2HD ARG 10 17.269 -9.829 -4.279
58 HE ARG 10 HE ARG 10 15.987 -8.199 -2.339
59 HH11 ARG 10 1HH1 ARG 10 17.447 -11.449 -2.559
60 HH12 ARG 10 2HH1 ARG 10 17.795 -11.542 -0.866
61 HH21 ARG 10 1HH2 ARG 10 16.424 -8.315 -0.187
62 HH22 ARG 10 2HH2 ARG 10 17.319 -9.625 0.539
63 H ARG 11 H ARG 11 13.689 -4.391 -5.497
64 HA ARG 11 HA ARG 11 14.856 -3.383 -3.055
65 HB3 ARG 11 2HB ARG 11 16.775 -2.354 -4.210
66 HG3 ARG 11 2HG ARG 11 17.111 -5.304 -4.803
67 HD3 ARG 11 2HD ARG 11 18.914 -2.974 -4.034
68 HE ARG 11 HE ARG 11 19.702 -5.595 -4.040
69 HH11 ARG 11 1HH1 ARG 11 20.353 -2.683 -5.955
70 HH12 ARG 11 2HH1 ARG 11 21.938 -3.124 -6.456
71 HH21 ARG 11 1HH2 ARG 11 21.988 -6.155 -4.548
72 HH22 ARG 11 2HH2 ARG 11 22.872 -5.119 -5.609
73 H THR 12 H THR 12 15.302 -1.057 -3.329
74 HA THR 12 HA THR 12 15.027 1.004 -3.878
75 HB THR 12 HB THR 12 13.973 0.451 -6.543
76 HG1 THR 12 1HG THR 12 16.071 0.118 -7.281
77 HG21 THR 12 3HG2 THR 12 15.352 2.401 -7.152
78 HG22 THR 12 1HG2 THR 12 15.951 2.495 -5.485
79 HG23 THR 12 2HG2 THR 12 14.227 2.776 -5.837
80 H ALA 13 H ALA 13 13.675 1.923 -2.871
81 HA ALA 13 HA ALA 13 11.897 2.789 -1.775
82 HB1 ALA 13 1HB ALA 13 10.350 2.321 -4.337
83 HB2 ALA 13 2HB ALA 13 9.886 3.389 -2.986
84 HB3 ALA 13 3HB ALA 13 11.328 3.756 -3.950
85 H PHE 14 H PHE 14 10.476 0.019 -3.634
86 HA PHE 14 HA PHE 14 9.532 -1.171 -1.111
87 HB3 PHE 14 2HB PHE 14 7.370 -1.662 -2.055
88 HD1 PHE 14 1HD PHE 14 8.087 1.392 -3.836
89 HD2 PHE 14 2HD PHE 14 6.720 -0.165 -0.100
90 HE1 PHE 14 1HE PHE 14 7.163 3.682 -3.238
91 HE2 PHE 14 2HE PHE 14 5.879 2.104 0.533
92 HZ PHE 14 HZ PHE 14 6.064 3.987 -1.034
93 H THR 15 H THR 15 8.415 -3.532 -2.294
94 HA THR 15 HA THR 15 10.096 -4.207 -4.609
95 HB THR 15 HB THR 15 10.510 -6.417 -3.969
96 HG1 THR 15 1HG THR 15 9.759 -7.357 -2.123
97 HG21 THR 15 3HG2 THR 15 12.032 -4.730 -2.860
98 HG22 THR 15 1HG2 THR 15 11.943 -6.304 -2.048
99 HG23 THR 15 2HG2 THR 15 11.076 -4.908 -1.380
100 H SER 16 H SER 16 8.972 -6.174 -5.766
101 HA SER 16 HA SER 16 6.236 -5.478 -6.249
102 HB3 SER 16 2HB SER 16 7.048 -6.298 -8.166
103 HG SER 16 HG SER 16 8.626 -8.366 -7.118
104 H GLU 17 H GLU 17 7.626 -7.443 -3.797
105 HA GLU 17 HA GLU 17 5.285 -9.150 -3.461
106 HB3 GLU 17 2HB GLU 17 7.774 -8.608 -1.752
107 HG3 GLU 17 2HG GLU 17 5.970 -11.058 -1.882
108 H GLN 18 H GLN 18 6.953 -6.396 -1.880
109 HA GLN 18 HA GLN 18 5.020 -5.970 0.184
110 HB3 GLN 18 2HB GLN 18 6.164 -3.715 0.298
111 HG3 GLN 18 2HG GLN 18 7.991 -6.149 0.059
112 HE21 GLN 18 1HE2 GLN 18 9.171 -5.341 2.587
113 HE22 GLN 18 2HE2 GLN 18 10.345 -4.104 2.264
114 H LEU 19 H LEU 19 5.449 -4.477 -3.074
115 HA LEU 19 HA LEU 19 3.169 -2.728 -2.838
116 HB3 LEU 19 2HB LEU 19 3.419 -2.701 -5.412
117 HG LEU 19 HG LEU 19 5.849 -2.082 -3.686
118 HD11 LEU 19 1HD1 LEU 19 6.605 -2.468 -5.960
119 HD12 LEU 19 2HD1 LEU 19 6.638 -0.733 -5.630
120 HD13 LEU 19 3HD1 LEU 19 5.322 -1.404 -6.606
121 HD21 LEU 19 3HD2 LEU 19 5.160 0.274 -4.004
122 HD22 LEU 19 1HD2 LEU 19 3.909 -0.648 -3.185
123 HD23 LEU 19 2HD2 LEU 19 3.724 -0.259 -4.906
124 H LEU 20 H LEU 20 3.354 -6.148 -3.413
125 HA LEU 20 HA LEU 20 0.720 -6.322 -4.727
126 HB3 LEU 20 2HB LEU 20 2.547 -8.410 -3.472
127 HG LEU 20 HG LEU 20 0.047 -9.078 -3.527
128 HD11 LEU 20 1HD1 LEU 20 0.600 -9.109 -6.530
129 HD12 LEU 20 2HD1 LEU 20 -0.548 -8.036 -5.698
130 HD13 LEU 20 3HD1 LEU 20 -0.822 -9.779 -5.714
131 HD21 LEU 20 3HD2 LEU 20 1.782 -10.675 -3.267
132 HD22 LEU 20 1HD2 LEU 20 2.216 -10.613 -4.992
133 HD23 LEU 20 2HD2 LEU 20 0.663 -11.313 -4.498
134 H GLU 21 H GLU 21 2.169 -6.928 -1.466
135 HA GLU 21 HA GLU 21 -0.341 -7.771 -0.309
136 HB3 GLU 21 2HB GLU 21 1.051 -7.503 1.812
137 HG3 GLU 21 2HG GLU 21 3.023 -8.948 0.439
138 H LEU 22 H LEU 22 1.144 -4.691 -0.806
139 HA LEU 22 HA LEU 22 -0.146 -3.097 1.147
140 HB3 LEU 22 2HB LEU 22 0.326 -1.554 -1.197
141 HG LEU 22 HG LEU 22 1.119 -0.638 0.807
142 HD11 LEU 22 1HD1 LEU 22 2.968 -1.548 2.165
143 HD12 LEU 22 2HD1 LEU 22 2.939 -3.052 1.206
144 HD13 LEU 22 3HD1 LEU 22 1.572 -2.602 2.227
145 HD21 LEU 22 3HD2 LEU 22 3.321 0.018 0.144
146 HD22 LEU 22 1HD2 LEU 22 2.501 -0.420 -1.345
147 HD23 LEU 22 2HD2 LEU 22 3.646 -1.560 -0.628
148 H GLU 23 H GLU 23 -1.188 -3.884 -2.181
149 HA GLU 23 HA GLU 23 -3.559 -2.215 -2.030
150 HB3 GLU 23 2HB GLU 23 -2.664 -2.669 -4.186
151 HG3 GLU 23 2HG GLU 23 -2.816 -5.607 -3.417
152 H LYS 24 H LYS 24 -2.755 -5.432 -0.983
153 HA LYS 24 HA LYS 24 -5.403 -6.542 -1.069
154 HB3 LYS 24 2HB LYS 24 -4.374 -8.327 0.320
155 HG3 LYS 24 2HG LYS 24 -2.218 -8.062 -1.577
156 HD3 LYS 24 2HD LYS 24 -4.727 -9.751 -1.688
157 HE3 LYS 24 2HE LYS 24 -2.787 -10.865 -3.326
158 HZ1 LYS 24 3HZ LYS 24 -4.173 -10.304 -5.124
159 HZ2 LYS 24 1HZ LYS 24 -4.783 -8.966 -4.398
160 HZ3 LYS 24 2HZ LYS 24 -5.186 -10.452 -3.827
161 H GLU 25 H GLU 25 -3.456 -5.140 1.578
162 HA GLU 25 HA GLU 25 -5.409 -5.131 3.628
163 HB3 GLU 25 2HB GLU 25 -3.950 -2.874 4.125
164 HG3 GLU 25 2HG GLU 25 -2.128 -4.394 5.010
165 H PHE 26 H PHE 26 -5.371 -3.217 0.692
166 HA PHE 26 HA PHE 26 -6.621 -0.882 1.923
167 HB3 PHE 26 2HB PHE 26 -6.299 -1.427 -1.047
168 HD1 PHE 26 1HD PHE 26 -5.501 1.224 1.504
169 HD2 PHE 26 2HD PHE 26 -7.560 0.266 -2.153
170 HE1 PHE 26 1HE PHE 26 -6.206 3.596 1.289
171 HE2 PHE 26 2HE PHE 26 -8.274 2.614 -2.367
172 HZ PHE 26 HZ PHE 26 -7.602 4.301 -0.656
173 H HIS 27 H HIS 27 -7.823 -3.822 1.410
174 HA HIS 27 HA HIS 27 -10.404 -3.041 0.270
175 HB3 HIS 27 2HB HIS 27 -10.089 -5.758 1.411
176 HD1 HIS 27 1HD HIS 27 -12.691 -6.055 0.766
177 HD2 HIS 27 2HD HIS 27 -10.181 -4.575 -2.268
178 HE1 HIS 27 1HE HIS 27 -14.142 -5.881 -1.337
179 H CYS 28 H CYS 28 -9.346 -4.612 3.400
180 HA CYS 28 HA CYS 28 -11.898 -3.863 4.602
181 HB3 CYS 28 2HB CYS 28 -10.734 -4.939 6.648
182 HG CYS 28 HG CYS 28 -11.145 -6.748 3.897
183 H LYS 29 H LYS 29 -8.587 -2.551 4.411
184 HA LYS 29 HA LYS 29 -9.484 -0.553 6.393
185 HB3 LYS 29 2HB LYS 29 -7.091 -0.363 7.079
186 HG3 LYS 29 2HG LYS 29 -6.919 -2.482 8.339
187 HD3 LYS 29 2HD LYS 29 -9.760 -1.336 8.381
188 HE3 LYS 29 2HE LYS 29 -9.765 -1.950 10.743
189 HZ1 LYS 29 3HZ LYS 29 -9.103 -4.376 9.241
190 HZ2 LYS 29 1HZ LYS 29 -10.601 -3.634 9.105
191 HZ3 LYS 29 2HZ LYS 29 -10.095 -4.251 10.527
192 H LYS 30 H LYS 30 -10.170 1.039 5.094
193 HA LYS 30 HA LYS 30 -8.737 1.953 2.741
194 HB3 LYS 30 2HB LYS 30 -10.160 3.951 2.882
195 HG3 LYS 30 2HG LYS 30 -12.373 3.104 2.757
196 HD3 LYS 30 2HD LYS 30 -10.703 0.707 1.907
197 HE3 LYS 30 2HE LYS 30 -12.283 0.473 0.124
198 HZ1 LYS 30 3HZ LYS 30 -14.187 -0.186 1.285
199 HZ2 LYS 30 1HZ LYS 30 -14.035 0.939 2.480
200 HZ3 LYS 30 2HZ LYS 30 -13.028 -0.315 2.410
201 H TYR 31 H TYR 31 -8.035 2.295 6.142
202 HA TYR 31 HA TYR 31 -5.576 3.533 5.540
203 HB3 TYR 31 2HB TYR 31 -6.739 5.655 5.677
204 HD1 TYR 31 1HD TYR 31 -9.222 5.370 5.600
205 HD2 TYR 31 2HD TYR 31 -7.029 5.208 9.295
206 HE1 TYR 31 1HE TYR 31 -11.337 5.549 6.836
207 HE2 TYR 31 2HE TYR 31 -9.149 5.453 10.566
208 HH TYR 31 HH TYR 31 -12.332 5.482 8.966
209 H LEU 32 H LEU 32 -4.134 3.101 7.348
210 HA LEU 32 HA LEU 32 -5.137 1.347 9.430
211 HB3 LEU 32 2HB LEU 32 -2.708 1.105 9.804
212 HG LEU 32 HG LEU 32 -2.093 -0.074 8.103
213 HD11 LEU 32 1HD1 LEU 32 -3.765 -1.030 6.681
214 HD12 LEU 32 2HD1 LEU 32 -4.798 0.386 6.803
215 HD13 LEU 32 3HD1 LEU 32 -4.531 -0.663 8.218
216 HD21 LEU 32 3HD2 LEU 32 -1.301 1.801 6.813
217 HD22 LEU 32 1HD2 LEU 32 -2.911 1.955 6.036
218 HD23 LEU 32 2HD2 LEU 32 -1.920 0.496 5.816
219 H SER 33 H SER 33 -3.722 1.691 11.451
220 HA SER 33 HA SER 33 -3.461 4.410 12.437
221 HB3 SER 33 2HB SER 33 -4.729 2.215 14.106
222 HG SER 33 HG SER 33 -5.228 3.871 15.417
223 H LEU 34 H LEU 34 -2.110 4.024 14.659
224 HA LEU 34 HA LEU 34 0.375 3.065 14.025
225 HB3 LEU 34 2HB LEU 34 0.486 2.662 16.645
226 HG LEU 34 HG LEU 34 -0.049 5.356 15.367
227 HD11 LEU 34 1HD1 LEU 34 0.689 6.394 17.472
228 HD12 LEU 34 2HD1 LEU 34 0.793 4.792 18.246
229 HD13 LEU 34 3HD1 LEU 34 -0.777 5.437 17.733
230 HD21 LEU 34 3HD2 LEU 34 2.487 4.091 16.512
231 HD22 LEU 34 1HD2 LEU 34 2.368 5.692 15.758
232 HD23 LEU 34 2HD2 LEU 34 2.104 4.231 14.791
233 H THR 35 H THR 35 -2.136 1.250 15.728
234 HA THR 35 HA THR 35 -0.527 -1.067 16.142
235 HB THR 35 HB THR 35 -3.564 -0.842 16.083
236 HG1 THR 35 1HG THR 35 -3.317 0.205 17.850
237 HG21 THR 35 3HG2 THR 35 -3.548 -2.719 17.683
238 HG22 THR 35 1HG2 THR 35 -1.781 -2.850 17.537
239 HG23 THR 35 2HG2 THR 35 -2.823 -3.216 16.146
240 H GLU 36 H GLU 36 -2.939 -0.407 13.558
241 HA GLU 36 HA GLU 36 -2.726 -2.928 12.192
242 HB3 GLU 36 2HB GLU 36 -3.641 -1.471 10.269
243 HG3 GLU 36 2HG GLU 36 -5.719 -0.614 11.391
244 H ARG 37 H ARG 37 -1.193 0.269 11.712
245 HA ARG 37 HA ARG 37 0.193 -0.368 9.312
246 HB3 ARG 37 2HB ARG 37 0.869 1.772 11.395
247 HG3 ARG 37 2HG ARG 37 1.105 1.713 8.361
248 HD3 ARG 37 2HD ARG 37 0.261 3.885 9.214
249 HE ARG 37 HE ARG 37 2.490 3.649 11.095
250 HH11 ARG 37 1HH1 ARG 37 0.109 5.893 9.732
251 HH12 ARG 37 2HH1 ARG 37 0.703 7.242 10.625
252 HH21 ARG 37 1HH2 ARG 37 3.169 5.509 12.396
253 HH22 ARG 37 2HH2 ARG 37 2.469 7.034 12.074
254 H SER 38 H SER 38 1.113 -0.553 12.717
255 HA SER 38 HA SER 38 3.841 -1.175 12.507
256 HB3 SER 38 2HB SER 38 1.653 -2.026 14.467
257 HG SER 38 HG SER 38 3.252 -2.089 15.978
258 H GLN 39 H GLN 39 0.886 -3.323 12.365
259 HA GLN 39 HA GLN 39 2.359 -5.746 12.224
260 HB3 GLN 39 2HB GLN 39 0.335 -6.770 11.360
261 HG3 GLN 39 2HG GLN 39 -0.705 -4.711 13.283
262 HE21 GLN 39 1HE2 GLN 39 -2.559 -5.993 11.837
263 HE22 GLN 39 2HE2 GLN 39 -3.151 -7.402 12.682
264 H ILE 40 H ILE 40 1.051 -3.641 9.613
265 HA ILE 40 HA ILE 40 1.946 -5.227 7.443
266 HB ILE 40 HB ILE 40 1.586 -2.205 7.654
267 HG13 ILE 40 2HG1 ILE 40 -0.456 -3.537 8.207
268 HG21 ILE 40 1HG2 ILE 40 1.402 -2.200 5.189
269 HG22 ILE 40 2HG2 ILE 40 2.964 -2.858 5.655
270 HG23 ILE 40 3HG2 ILE 40 1.654 -3.950 5.161
271 HD11 ILE 40 3HD1 ILE 40 -0.834 -2.344 5.447
272 HD12 ILE 40 1HD1 ILE 40 -2.006 -2.516 6.759
273 HD13 ILE 40 2HD1 ILE 40 -0.655 -1.372 6.927
274 H ALA 41 H ALA 41 3.604 -2.552 9.194
275 HA ALA 41 HA ALA 41 5.944 -2.569 7.601
276 HB1 ALA 41 1HB ALA 41 5.596 -1.719 10.499
277 HB2 ALA 41 2HB ALA 41 6.976 -1.318 9.461
278 HB3 ALA 41 3HB ALA 41 5.358 -0.698 9.061
279 H HIS 42 H HIS 42 5.118 -4.405 10.515
280 HA HIS 42 HA HIS 42 7.686 -5.610 10.926
281 HB3 HIS 42 2HB HIS 42 6.277 -7.253 12.251
282 HD1 HIS 42 1HD HIS 42 6.087 -6.662 14.817
283 HD2 HIS 42 2HD HIS 42 6.831 -3.416 12.249
284 HE1 HIS 42 1HE HIS 42 6.928 -4.744 16.293
285 H ALA 43 H ALA 43 4.685 -6.984 9.483
286 HA ALA 43 HA ALA 43 5.814 -9.485 8.825
287 HB1 ALA 43 1HB ALA 43 3.496 -7.902 7.610
288 HB2 ALA 43 2HB ALA 43 3.895 -9.567 7.166
289 HB3 ALA 43 3HB ALA 43 3.420 -9.191 8.836
290 H LEU 44 H LEU 44 5.316 -6.601 6.755
291 HA LEU 44 HA LEU 44 6.552 -7.970 4.497
292 HB3 LEU 44 2HB LEU 44 5.884 -5.939 3.257
293 HG LEU 44 HG LEU 44 3.606 -6.766 5.100
294 HD11 LEU 44 1HD1 LEU 44 2.195 -5.981 3.263
295 HD12 LEU 44 2HD1 LEU 44 3.619 -5.580 2.277
296 HD13 LEU 44 3HD1 LEU 44 3.276 -4.688 3.761
297 HD21 LEU 44 3HD2 LEU 44 2.981 -8.367 3.345
298 HD22 LEU 44 1HD2 LEU 44 4.552 -8.778 3.995
299 HD23 LEU 44 2HD2 LEU 44 4.435 -7.968 2.402
300 H LYS 45 H LYS 45 8.097 -6.420 7.012
301 HA LYS 45 HA LYS 45 10.067 -5.310 7.248
302 HB3 LYS 45 2HB LYS 45 10.891 -6.304 4.516
303 HG3 LYS 45 2HG LYS 45 12.446 -6.191 7.135
304 HD3 LYS 45 2HD LYS 45 14.374 -6.217 5.364
305 HE3 LYS 45 2HE LYS 45 13.989 -8.773 4.986
306 HZ1 LYS 45 3HZ LYS 45 15.295 -8.443 6.788
307 HZ2 LYS 45 1HZ LYS 45 13.987 -9.064 7.549
308 HZ3 LYS 45 2HZ LYS 45 14.265 -7.417 7.550
309 H LEU 46 H LEU 46 8.092 -3.681 6.546
310 HA LEU 46 HA LEU 46 9.294 -1.658 4.705
311 HB3 LEU 46 2HB LEU 46 6.959 -0.660 4.884
312 HG LEU 46 HG LEU 46 7.350 -3.372 3.630
313 HD11 LEU 46 1HD1 LEU 46 4.907 -1.594 3.386
314 HD12 LEU 46 2HD1 LEU 46 4.967 -3.141 4.191
315 HD13 LEU 46 3HD1 LEU 46 5.210 -3.080 2.445
316 HD21 LEU 46 3HD2 LEU 46 7.261 -0.568 2.485
317 HD22 LEU 46 1HD2 LEU 46 7.205 -2.037 1.490
318 HD23 LEU 46 2HD2 LEU 46 8.615 -1.723 2.487
319 H SER 47 H SER 47 8.398 0.455 5.723
320 HA SER 47 HA SER 47 8.648 0.438 8.682
321 HB3 SER 47 2HB SER 47 9.683 2.696 8.643
322 HG SER 47 HG SER 47 11.290 0.724 7.334
323 H GLU 48 H GLU 48 7.355 2.084 9.648
324 HA GLU 48 HA GLU 48 4.762 2.050 8.649
325 HB3 GLU 48 2HB GLU 48 4.426 3.882 10.432
326 HG3 GLU 48 2HG GLU 48 5.694 1.166 10.912
327 H VAL 49 H VAL 49 7.262 4.402 8.023
328 HA VAL 49 HA VAL 49 5.621 6.563 6.957
329 HB VAL 49 HB VAL 49 8.579 5.827 6.925
330 HG11 VAL 49 1HG1 VAL 49 9.058 8.025 5.898
331 HG12 VAL 49 2HG1 VAL 49 8.232 6.967 4.768
332 HG13 VAL 49 3HG1 VAL 49 7.327 8.269 5.582
333 HG21 VAL 49 3HG2 VAL 49 8.696 7.915 8.243
334 HG22 VAL 49 1HG2 VAL 49 6.942 8.144 8.067
335 HG23 VAL 49 2HG2 VAL 49 7.579 6.773 9.006
336 H GLN 50 H GLN 50 7.401 3.737 5.557
337 HA GLN 50 HA GLN 50 6.891 4.422 2.830
338 HB3 GLN 50 2HB GLN 50 7.605 2.237 2.326
339 HG3 GLN 50 2HG GLN 50 8.979 2.456 4.997
340 HE21 GLN 50 1HE2 GLN 50 11.255 3.112 2.785
341 HE22 GLN 50 2HE2 GLN 50 11.775 1.534 2.325
342 H VAL 51 H VAL 51 5.191 2.536 5.320
343 HA VAL 51 HA VAL 51 3.037 1.679 3.596
344 HB VAL 51 HB VAL 51 2.990 2.008 6.628
345 HG11 VAL 51 1HG1 VAL 51 1.301 0.300 4.740
346 HG12 VAL 51 2HG1 VAL 51 1.212 0.260 6.505
347 HG13 VAL 51 3HG1 VAL 51 0.735 1.725 5.629
348 HG21 VAL 51 3HG2 VAL 51 3.528 -0.395 6.741
349 HG22 VAL 51 1HG2 VAL 51 3.682 -0.461 4.976
350 HG23 VAL 51 2HG2 VAL 51 4.835 0.472 5.940
351 H LYS 52 H LYS 52 3.358 4.398 5.923
352 HA LYS 52 HA LYS 52 0.848 5.541 5.588
353 HB3 LYS 52 2HB LYS 52 3.496 6.942 6.169
354 HG3 LYS 52 2HG LYS 52 0.611 7.690 6.722
355 HD3 LYS 52 2HD LYS 52 3.040 8.463 8.156
356 HE3 LYS 52 2HE LYS 52 1.472 10.595 6.648
357 HZ1 LYS 52 3HZ LYS 52 1.913 11.175 9.026
358 HZ2 LYS 52 1HZ LYS 52 2.636 12.170 7.953
359 HZ3 LYS 52 2HZ LYS 52 3.526 11.044 8.711
360 H ILE 53 H ILE 53 3.857 6.495 3.805
361 HA ILE 53 HA ILE 53 2.615 8.460 2.204
362 HB ILE 53 HB ILE 53 5.090 6.734 1.661
363 HG13 ILE 53 2HG1 ILE 53 5.143 8.250 3.768
364 HG21 ILE 53 1HG2 ILE 53 4.275 9.388 0.385
365 HG22 ILE 53 2HG2 ILE 53 5.754 8.469 0.022
366 HG23 ILE 53 3HG2 ILE 53 4.198 7.817 -0.430
367 HD11 ILE 53 3HD1 ILE 53 7.307 9.184 3.364
368 HD12 ILE 53 1HD1 ILE 53 7.237 7.586 2.581
369 HD13 ILE 53 2HD1 ILE 53 7.116 9.081 1.616
370 H TRP 54 H TRP 54 3.311 4.963 1.432
371 HA TRP 54 HA TRP 54 2.274 5.127 -1.193
372 HB3 TRP 54 2HB TRP 54 2.245 2.679 0.613
373 HD1 TRP 54 HD TRP 54 3.586 2.791 -2.935
374 HE1 TRP 54 1HE TRP 54 2.111 1.352 -4.463
375 HE3 TRP 54 3HE TRP 54 -0.198 1.764 0.326
376 HZ2 TRP 54 2HZ TRP 54 -0.363 -0.186 -4.229
377 HZ3 TRP 54 3HZ TRP 54 -2.076 0.319 -0.311
378 HH2 TRP 54 HH TRP 54 -2.173 -0.652 -2.615
379 H PHE 55 H PHE 55 0.632 4.045 1.842
380 HA PHE 55 HA PHE 55 -1.918 3.689 0.628
381 HB3 PHE 55 2HB PHE 55 -2.748 4.283 3.020
382 HD1 PHE 55 2HD PHE 55 0.162 1.858 2.702
383 HD2 PHE 55 1HD PHE 55 -4.113 2.408 3.128
384 HE1 PHE 55 2HE PHE 55 -0.147 -0.579 2.923
385 HE2 PHE 55 1HE PHE 55 -4.378 -0.049 3.352
386 HZ PHE 55 HZ PHE 55 -2.381 -1.521 3.212
387 H GLN 56 H GLN 56 -0.351 6.665 1.958
388 HA GLN 56 HA GLN 56 -2.658 8.331 1.713
389 HB3 GLN 56 2HB GLN 56 -0.599 10.096 1.400
390 HG3 GLN 56 2HG GLN 56 -0.697 8.828 4.097
391 HE21 GLN 56 1HE2 GLN 56 1.125 10.404 4.416
392 HE22 GLN 56 2HE2 GLN 56 0.755 12.061 4.683
393 H ASN 57 H ASN 57 -0.198 7.380 -0.765
394 HA ASN 57 HA ASN 57 -1.196 9.206 -2.755
395 HB3 ASN 57 2HB ASN 57 -0.098 7.261 -4.194
396 HD21 ASN 57 1HD2 ASN 57 2.832 7.502 -2.792
397 HD22 ASN 57 2HD2 ASN 57 3.254 9.073 -3.376
398 H ARG 58 H ARG 58 -1.787 5.752 -2.015
399 HA ARG 58 HA ARG 58 -3.835 5.254 -3.907
400 HB3 ARG 58 2HB ARG 58 -4.508 3.575 -1.936
401 HG3 ARG 58 2HG ARG 58 -1.990 2.577 -2.743
402 HD3 ARG 58 2HD ARG 58 -4.729 2.440 -4.068
403 HE ARG 58 HE ARG 58 -2.394 1.288 -5.081
404 HH11 ARG 58 1HH1 ARG 58 -5.594 0.232 -4.052
405 HH12 ARG 58 2HH1 ARG 58 -5.572 -1.285 -4.875
406 HH21 ARG 58 1HH2 ARG 58 -2.416 -0.587 -6.437
407 HH22 ARG 58 2HH2 ARG 58 -3.761 -1.648 -6.473
408 H ARG 59 H ARG 59 -4.159 6.614 -0.620
409 HA ARG 59 HA ARG 59 -6.994 6.688 -0.509
410 HB3 ARG 59 2HB ARG 59 -6.665 8.658 1.043
411 HG3 ARG 59 2HG ARG 59 -4.795 6.465 1.990
412 HD3 ARG 59 2HD ARG 59 -6.575 6.638 3.867
413 HE ARG 59 HE ARG 59 -4.109 7.738 3.848
414 HH11 ARG 59 1HH1 ARG 59 -7.213 9.078 4.926
415 HH12 ARG 59 2HH1 ARG 59 -6.646 9.514 6.513
416 HH21 ARG 59 1HH2 ARG 59 -3.278 8.732 5.862
417 HH22 ARG 59 2HH2 ARG 59 -4.345 9.781 6.715
418 H ALA 60 H ALA 60 -4.672 9.086 -1.840
419 HA ALA 60 HA ALA 60 -6.574 11.094 -2.329
420 HB1 ALA 60 1HB ALA 60 -4.863 12.033 -3.848
421 HB2 ALA 60 2HB ALA 60 -4.135 11.482 -2.326
422 HB3 ALA 60 3HB ALA 60 -3.966 10.510 -3.806
423 H LYS 61 H LYS 61 -5.387 8.518 -4.587
424 HA LYS 61 HA LYS 61 -7.224 9.270 -6.663
425 HB3 LYS 61 2HB LYS 61 -5.699 6.740 -6.064
426 HG3 LYS 61 2HG LYS 61 -7.806 7.192 -8.239
427 HD3 LYS 61 2HD LYS 61 -7.099 4.802 -8.930
428 HE3 LYS 61 2HE LYS 61 -5.178 7.080 -9.561
429 HZ1 LYS 61 3HZ LYS 61 -4.861 5.918 -11.552
430 HZ2 LYS 61 1HZ LYS 61 -6.038 4.813 -11.267
431 HZ3 LYS 61 2HZ LYS 61 -4.666 4.795 -10.366
432 H TRP 62 H TRP 62 -7.557 6.937 -3.928
433 HA TRP 62 HA TRP 62 -9.942 5.768 -4.872
434 HB3 TRP 62 2HB TRP 62 -8.916 6.137 -2.052
435 HD1 TRP 62 HD TRP 62 -11.568 3.918 -3.847
436 HE1 TRP 62 1HE TRP 62 -13.499 3.464 -2.225
437 HE3 TRP 62 3HE TRP 62 -9.879 6.639 0.132
438 HZ2 TRP 62 2HZ TRP 62 -14.181 4.153 0.506
439 HZ3 TRP 62 3HZ TRP 62 -11.245 6.799 2.175
440 HH2 TRP 62 HH TRP 62 -13.367 5.651 2.396
441 H LYS 63 H LYS 63 -9.599 8.650 -2.702
442 HA LYS 63 HA LYS 63 -12.352 9.146 -2.336
443 HB3 LYS 63 2HB LYS 63 -11.561 11.633 -2.364
444 HG3 LYS 63 2HG LYS 63 -9.678 10.791 -0.435
445 HD3 LYS 63 2HD LYS 63 -11.528 12.530 -0.246
446 HE3 LYS 63 2HE LYS 63 -13.204 10.237 0.825
447 HZ1 LYS 63 3HZ LYS 63 -14.075 12.838 -0.330
448 HZ2 LYS 63 1HZ LYS 63 -13.939 12.481 1.303
449 HZ3 LYS 63 2HZ LYS 63 -15.001 11.691 0.361
450 H ARG 64 H ARG 64 -10.301 9.927 -5.261
451 HA ARG 64 HA ARG 64 -12.446 11.494 -6.384
452 HB3 ARG 64 2HB ARG 64 -10.954 11.164 -8.513
453 HG3 ARG 64 2HG ARG 64 -9.696 12.667 -6.205
454 HD3 ARG 64 2HD ARG 64 -9.431 12.621 -9.220
455 HE ARG 64 HE ARG 64 -9.937 14.880 -8.951
456 HH11 ARG 64 1HH1 ARG 64 -6.943 14.031 -7.180
457 HH12 ARG 64 2HH1 ARG 64 -6.210 15.573 -7.561
458 HH21 ARG 64 1HH2 ARG 64 -8.979 16.877 -9.288
459 HH22 ARG 64 2HH2 ARG 64 -7.410 17.240 -8.700
460 H ILE 65 H ILE 65 -11.532 8.297 -6.486
461 HA ILE 65 HA ILE 65 -13.186 7.612 -8.825
462 HB ILE 65 HB ILE 65 -11.917 5.759 -6.757
463 HG13 ILE 65 2HG1 ILE 65 -10.332 6.999 -8.207
464 HG21 ILE 65 1HG2 ILE 65 -13.947 4.701 -7.695
465 HG22 ILE 65 2HG2 ILE 65 -13.421 5.105 -9.340
466 HG23 ILE 65 3HG2 ILE 65 -12.532 3.920 -8.362
467 HD11 ILE 65 3HD1 ILE 65 -10.559 4.145 -9.244
468 HD12 ILE 65 1HD1 ILE 65 -9.194 5.230 -9.402
469 HD13 ILE 65 2HD1 ILE 65 -9.682 4.655 -7.784
470 H LYS 66 H LYS 66 -13.470 7.302 -5.279
471 HA LYS 66 HA LYS 66 -15.973 6.155 -5.265
472 HB3 LYS 66 2HB LYS 66 -14.517 7.853 -3.178
473 HG3 LYS 66 2HG LYS 66 -15.970 5.294 -2.654
474 HD3 LYS 66 2HD LYS 66 -15.791 7.919 -1.101
475 HE3 LYS 66 2HE LYS 66 -16.068 5.125 0.016
476 HZ1 LYS 66 3HZ LYS 66 -17.352 6.219 1.685
477 HZ2 LYS 66 1HZ LYS 66 -17.400 7.628 0.873
478 HZ3 LYS 66 2HZ LYS 66 -15.974 7.118 1.522
479 H ALA 67 H ALA 67 -15.033 9.446 -4.553
480 HA ALA 67 HA ALA 67 -17.875 10.304 -4.590
481 HB1 ALA 67 1HB ALA 67 -17.269 11.755 -2.697
482 HB2 ALA 67 2HB ALA 67 -16.922 10.064 -2.330
483 HB3 ALA 67 3HB ALA 67 -15.593 11.167 -2.767
484 H GLY 68 H GLY 68 -15.194 10.585 -6.388
485 HA2 GLY 68 1HA GLY 68 -14.803 13.505 -6.386
486 HA3 GLY 68 2HA GLY 68 -13.967 12.350 -7.427
487 H ASN 69 H ASN 69 -16.063 14.854 -7.459
488 HA ASN 69 HA ASN 69 -17.578 15.748 -8.805
489 HB3 ASN 69 2HB ASN 69 -17.146 15.630 -11.242
490 HD21 ASN 69 1HD2 ASN 69 -16.355 17.693 -11.689
491 HD22 ASN 69 2HD2 ASN 69 -15.028 18.412 -10.813
492 H VAL 70 H VAL 70 -19.134 14.371 -7.824
493 HA VAL 70 HA VAL 70 -20.260 12.089 -9.143
494 HB VAL 70 HB VAL 70 -20.311 12.685 -6.731
495 HG11 VAL 70 1HG1 VAL 70 -21.982 14.183 -5.809
496 HG12 VAL 70 2HG1 VAL 70 -20.869 15.072 -6.853
497 HG13 VAL 70 3HG1 VAL 70 -22.495 14.673 -7.435
498 HG21 VAL 70 3HG2 VAL 70 -22.447 11.735 -6.211
499 HG22 VAL 70 1HG2 VAL 70 -23.111 12.163 -7.788
500 HG23 VAL 70 2HG2 VAL 70 -21.826 10.950 -7.674
501 H SER 71 H SER 71 -20.041 14.876 -10.659
502 HA SER 71 HA SER 71 -22.771 15.000 -11.764
503 HB3 SER 71 2HB SER 71 -22.647 16.879 -10.164
504 HG SER 71 HG SER 71 -20.145 17.055 -11.405
Start of MODEL 10
1 H1 SER 1 H SER 1 -6.979 -6.912 -14.945
2 HA SER 1 HA SER 1 -7.296 -5.738 -17.015
3 HB3 SER 1 2HB SER 1 -7.108 -4.269 -15.161
4 HG SER 1 HG SER 1 -5.083 -3.436 -14.532
5 H ALA 2 H ALA 2 -3.836 -4.915 -16.584
6 HA ALA 2 HA ALA 2 -3.319 -5.877 -19.349
7 HB1 ALA 2 1HB ALA 2 -2.499 -3.333 -17.866
8 HB2 ALA 2 2HB ALA 2 -1.983 -3.750 -19.498
9 HB3 ALA 2 3HB ALA 2 -3.702 -3.469 -19.160
10 HA PRO 3 HA PRO 3 0.687 -7.438 -17.742
11 HB3 PRO 3 2HB PRO 3 1.242 -8.098 -19.890
12 HG3 PRO 3 2HG PRO 3 0.642 -6.780 -21.787
13 HD3 PRO 3 2HD PRO 3 -1.339 -7.230 -20.598
14 H GLY 4 H GLY 4 3.042 -6.396 -17.368
15 HA2 GLY 4 1HA GLY 4 3.114 -3.522 -17.033
16 HA3 GLY 4 2HA GLY 4 2.725 -4.375 -15.529
17 H GLY 5 H GLY 5 4.671 -4.204 -14.382
18 HA2 GLY 5 1HA GLY 5 7.219 -4.189 -15.651
19 HA3 GLY 5 2HA GLY 5 6.874 -4.234 -13.917
20 H LYS 6 H LYS 6 5.236 -6.802 -15.015
21 HA LYS 6 HA LYS 6 5.411 -9.043 -14.666
22 HB3 LYS 6 2HB LYS 6 8.413 -8.906 -15.110
23 HG3 LYS 6 2HG LYS 6 6.420 -11.162 -15.578
24 HD3 LYS 6 2HD LYS 6 9.463 -11.011 -15.823
25 HE3 LYS 6 2HE LYS 6 7.759 -13.251 -15.296
26 HZ1 LYS 6 3HZ LYS 6 8.391 -14.619 -17.188
27 HZ2 LYS 6 1HZ LYS 6 8.993 -13.312 -17.983
28 HZ3 LYS 6 2HZ LYS 6 7.395 -13.376 -17.667
29 H SER 7 H SER 7 4.851 -7.623 -12.699
30 HA SER 7 HA SER 7 4.913 -7.092 -10.537
31 HB3 SER 7 2HB SER 7 5.835 -8.545 -8.937
32 HG SER 7 HG SER 7 5.078 -10.410 -9.554
33 H ARG 8 H ARG 8 6.454 -6.235 -8.709
34 HA ARG 8 HA ARG 8 9.077 -5.388 -9.844
35 HB3 ARG 8 2HB ARG 8 8.921 -3.717 -7.768
36 HG3 ARG 8 2HG ARG 8 7.679 -3.118 -10.488
37 HD3 ARG 8 2HD ARG 8 8.741 -0.862 -10.070
38 HE ARG 8 HE ARG 8 6.992 -1.045 -7.762
39 HH11 ARG 8 1HH1 ARG 8 7.096 -0.930 -11.343
40 HH12 ARG 8 2HH1 ARG 8 5.513 -0.280 -11.494
41 HH21 ARG 8 1HH2 ARG 8 4.758 -0.294 -8.027
42 HH22 ARG 8 2HH2 ARG 8 4.135 -0.163 -9.647
43 H ARG 9 H ARG 9 10.623 -6.547 -9.042
44 HA ARG 9 HA ARG 9 10.117 -8.335 -6.737
45 HB3 ARG 9 2HB ARG 9 11.214 -9.324 -8.674
46 HG3 ARG 9 2HG ARG 9 13.865 -8.510 -8.605
47 HD3 ARG 9 2HD ARG 9 13.029 -6.911 -10.650
48 HE ARG 9 HE ARG 9 14.313 -8.423 -11.612
49 HH11 ARG 9 1HH1 ARG 9 11.506 -10.259 -10.429
50 HH12 ARG 9 2HH1 ARG 9 12.269 -11.786 -10.785
51 HH21 ARG 9 1HH2 ARG 9 15.114 -10.433 -12.305
52 HH22 ARG 9 2HH2 ARG 9 14.200 -11.863 -12.013
53 H ARG 10 H ARG 10 12.368 -8.509 -5.323
54 HA ARG 10 HA ARG 10 12.895 -6.111 -3.877
55 HB3 ARG 10 2HB ARG 10 13.292 -8.256 -2.882
56 HG3 ARG 10 2HG ARG 10 15.309 -8.766 -5.081
57 HD3 ARG 10 2HD ARG 10 16.474 -8.974 -2.885
58 HE ARG 10 HE ARG 10 14.767 -9.752 -1.370
59 HH11 ARG 10 1HH1 ARG 10 16.023 -12.298 -3.495
60 HH12 ARG 10 2HH1 ARG 10 16.169 -13.477 -2.220
61 HH21 ARG 10 1HH2 ARG 10 14.456 -11.460 0.165
62 HH22 ARG 10 2HH2 ARG 10 15.196 -12.990 -0.130
63 H ARG 11 H ARG 11 13.004 -4.884 -6.075
64 HA ARG 11 HA ARG 11 15.830 -4.144 -6.631
65 HB3 ARG 11 2HB ARG 11 15.032 -3.776 -9.067
66 HG3 ARG 11 2HG ARG 11 14.990 -6.336 -9.604
67 HD3 ARG 11 2HD ARG 11 17.493 -6.453 -8.799
68 HE ARG 11 HE ARG 11 16.353 -4.756 -10.964
69 HH11 ARG 11 1HH1 ARG 11 19.140 -6.603 -9.785
70 HH12 ARG 11 2HH1 ARG 11 20.092 -6.364 -11.179
71 HH21 ARG 11 1HH2 ARG 11 17.328 -4.884 -12.999
72 HH22 ARG 11 2HH2 ARG 11 18.989 -5.358 -13.147
73 H THR 12 H THR 12 13.593 -3.133 -4.886
74 HA THR 12 HA THR 12 13.752 -0.366 -5.706
75 HB THR 12 HB THR 12 11.029 -1.179 -4.743
76 HG1 THR 12 1HG THR 12 11.188 -2.650 -6.368
77 HG21 THR 12 3HG2 THR 12 10.328 0.669 -6.195
78 HG22 THR 12 1HG2 THR 12 11.954 0.782 -6.896
79 HG23 THR 12 2HG2 THR 12 11.678 1.209 -5.202
80 H ALA 13 H ALA 13 12.348 0.709 -3.543
81 HA ALA 13 HA ALA 13 13.623 -0.086 -1.115
82 HB1 ALA 13 1HB ALA 13 12.505 2.131 -1.544
83 HB2 ALA 13 2HB ALA 13 10.929 1.295 -1.508
84 HB3 ALA 13 3HB ALA 13 11.961 1.325 -0.067
85 H PHE 14 H PHE 14 10.432 -0.878 -2.571
86 HA PHE 14 HA PHE 14 9.821 -2.824 -0.533
87 HB3 PHE 14 2HB PHE 14 7.747 -3.162 -1.689
88 HD1 PHE 14 1HD PHE 14 8.696 0.071 -3.058
89 HD2 PHE 14 2HD PHE 14 6.819 -1.903 0.258
90 HE1 PHE 14 1HE PHE 14 7.754 2.269 -2.293
91 HE2 PHE 14 2HE PHE 14 5.896 0.312 1.045
92 HZ PHE 14 HZ PHE 14 6.362 2.343 -0.259
93 H THR 15 H THR 15 9.201 -5.128 -1.228
94 HA THR 15 HA THR 15 10.722 -6.147 -3.553
95 HB THR 15 HB THR 15 10.927 -8.226 -2.456
96 HG1 THR 15 1HG THR 15 9.977 -8.284 -0.153
97 HG21 THR 15 3HG2 THR 15 11.438 -6.303 -0.162
98 HG22 THR 15 1HG2 THR 15 12.488 -6.395 -1.580
99 HG23 THR 15 2HG2 THR 15 12.272 -7.810 -0.531
100 H SER 16 H SER 16 9.520 -8.438 -4.256
101 HA SER 16 HA SER 16 6.869 -7.637 -5.122
102 HB3 SER 16 2HB SER 16 7.961 -8.907 -6.733
103 HG SER 16 HG SER 16 8.531 -11.042 -5.012
104 H GLU 17 H GLU 17 8.175 -9.408 -2.315
105 HA GLU 17 HA GLU 17 5.693 -10.707 -1.629
106 HB3 GLU 17 2HB GLU 17 7.151 -10.016 0.707
107 HG3 GLU 17 2HG GLU 17 7.317 -12.506 -1.022
108 H GLN 18 H GLN 18 7.336 -7.678 -0.586
109 HA GLN 18 HA GLN 18 5.241 -6.753 1.060
110 HB3 GLN 18 2HB GLN 18 6.324 -4.448 0.549
111 HG3 GLN 18 2HG GLN 18 7.839 -6.830 1.675
112 HE21 GLN 18 1HE2 GLN 18 8.626 -4.699 3.724
113 HE22 GLN 18 2HE2 GLN 18 10.075 -4.027 3.137
114 H LEU 19 H LEU 19 5.886 -5.861 -2.408
115 HA LEU 19 HA LEU 19 3.583 -4.121 -2.486
116 HB3 LEU 19 2HB LEU 19 3.874 -4.401 -5.021
117 HG LEU 19 HG LEU 19 6.381 -3.736 -3.436
118 HD11 LEU 19 1HD1 LEU 19 7.161 -2.621 -5.473
119 HD12 LEU 19 2HD1 LEU 19 5.703 -3.163 -6.342
120 HD13 LEU 19 3HD1 LEU 19 6.898 -4.346 -5.754
121 HD21 LEU 19 3HD2 LEU 19 4.570 -2.198 -2.876
122 HD22 LEU 19 1HD2 LEU 19 4.214 -1.942 -4.608
123 HD23 LEU 19 2HD2 LEU 19 5.749 -1.377 -3.900
124 H LEU 20 H LEU 20 3.793 -7.619 -2.680
125 HA LEU 20 HA LEU 20 1.190 -7.869 -4.017
126 HB3 LEU 20 2HB LEU 20 3.026 -9.933 -2.745
127 HG LEU 20 HG LEU 20 0.322 -10.134 -3.956
128 HD11 LEU 20 1HD1 LEU 20 2.554 -11.862 -5.112
129 HD12 LEU 20 2HD1 LEU 20 1.631 -10.613 -5.987
130 HD13 LEU 20 3HD1 LEU 20 0.813 -12.058 -5.393
131 HD21 LEU 20 3HD2 LEU 20 2.148 -12.205 -2.648
132 HD22 LEU 20 1HD2 LEU 20 0.409 -12.367 -2.952
133 HD23 LEU 20 2HD2 LEU 20 0.994 -11.172 -1.784
134 H GLU 21 H GLU 21 2.587 -8.246 -0.684
135 HA GLU 21 HA GLU 21 -0.014 -8.901 0.425
136 HB3 GLU 21 2HB GLU 21 1.387 -8.609 2.588
137 HG3 GLU 21 2HG GLU 21 2.685 -10.688 2.179
138 H LEU 22 H LEU 22 1.576 -5.901 -0.223
139 HA LEU 22 HA LEU 22 0.193 -4.289 1.757
140 HB3 LEU 22 2HB LEU 22 0.725 -2.601 -0.378
141 HG LEU 22 HG LEU 22 1.764 -1.923 1.524
142 HD11 LEU 22 1HD1 LEU 22 3.552 -3.214 2.767
143 HD12 LEU 22 2HD1 LEU 22 3.065 -4.628 1.819
144 HD13 LEU 22 3HD1 LEU 22 1.915 -3.860 2.913
145 HD21 LEU 22 3HD2 LEU 22 4.032 -3.145 -0.124
146 HD22 LEU 22 1HD2 LEU 22 4.208 -1.791 0.998
147 HD23 LEU 22 2HD2 LEU 22 3.225 -1.615 -0.468
148 H GLU 23 H GLU 23 -0.687 -5.348 -1.493
149 HA GLU 23 HA GLU 23 -3.033 -3.600 -1.545
150 HB3 GLU 23 2HB GLU 23 -1.856 -4.107 -3.582
151 HG3 GLU 23 2HG GLU 23 -2.305 -7.004 -2.839
152 H LYS 24 H LYS 24 -2.325 -6.620 -0.162
153 HA LYS 24 HA LYS 24 -4.904 -7.871 -0.268
154 HB3 LYS 24 2HB LYS 24 -3.681 -8.730 2.087
155 HG3 LYS 24 2HG LYS 24 -4.342 -10.285 0.365
156 HD3 LYS 24 2HD LYS 24 -2.373 -8.790 -1.282
157 HE3 LYS 24 2HE LYS 24 -1.170 -10.860 -1.231
158 HZ1 LYS 24 3HZ LYS 24 -2.752 -12.435 -0.551
159 HZ2 LYS 24 1HZ LYS 24 -2.323 -12.882 -2.048
160 HZ3 LYS 24 2HZ LYS 24 -3.777 -12.124 -1.812
161 H GLU 25 H GLU 25 -3.305 -6.049 2.393
162 HA GLU 25 HA GLU 25 -5.457 -5.681 4.095
163 HB3 GLU 25 2HB GLU 25 -3.181 -3.793 3.397
164 HG3 GLU 25 2HG GLU 25 -4.917 -2.658 4.871
165 H PHE 26 H PHE 26 -5.014 -4.174 0.945
166 HA PHE 26 HA PHE 26 -6.585 -1.798 1.488
167 HB3 PHE 26 2HB PHE 26 -6.127 -3.012 -1.250
168 HD1 PHE 26 1HD PHE 26 -5.241 0.282 0.214
169 HD2 PHE 26 2HD PHE 26 -8.083 -1.851 -2.227
170 HE1 PHE 26 1HE PHE 26 -6.423 2.410 -0.296
171 HE2 PHE 26 2HE PHE 26 -9.236 0.272 -2.753
172 HZ PHE 26 HZ PHE 26 -8.423 2.406 -1.719
173 H HIS 27 H HIS 27 -7.348 -5.114 0.767
174 HA HIS 27 HA HIS 27 -9.890 -4.580 -0.443
175 HB3 HIS 27 2HB HIS 27 -9.415 -7.252 0.779
176 HD1 HIS 27 1HD HIS 27 -8.973 -6.180 -2.931
177 HD2 HIS 27 2HD HIS 27 -11.863 -7.782 -0.288
178 HE1 HIS 27 1HE HIS 27 -10.883 -6.965 -4.368
179 H CYS 28 H CYS 28 -8.890 -4.682 2.917
180 HA CYS 28 HA CYS 28 -11.773 -4.545 3.681
181 HB3 CYS 28 2HB CYS 28 -10.734 -6.419 4.754
182 HG CYS 28 HG CYS 28 -8.241 -6.081 4.700
183 H LYS 29 H LYS 29 -8.656 -3.281 4.890
184 HA LYS 29 HA LYS 29 -9.926 -0.979 6.076
185 HB3 LYS 29 2HB LYS 29 -7.061 -0.640 5.853
186 HG3 LYS 29 2HG LYS 29 -8.447 -0.154 7.871
187 HD3 LYS 29 2HD LYS 29 -8.317 -3.175 8.285
188 HE3 LYS 29 2HE LYS 29 -9.377 -0.888 10.019
189 HZ1 LYS 29 3HZ LYS 29 -9.676 -2.561 11.661
190 HZ2 LYS 29 1HZ LYS 29 -9.062 -3.734 10.706
191 HZ3 LYS 29 2HZ LYS 29 -10.515 -3.057 10.335
192 H LYS 30 H LYS 30 -9.160 1.251 5.689
193 HA LYS 30 HA LYS 30 -8.176 1.707 2.893
194 HB3 LYS 30 2HB LYS 30 -9.438 3.852 2.835
195 HG3 LYS 30 2HG LYS 30 -11.758 2.826 2.679
196 HD3 LYS 30 2HD LYS 30 -9.443 1.555 1.195
197 HE3 LYS 30 2HE LYS 30 -10.781 -0.213 0.853
198 HZ1 LYS 30 3HZ LYS 30 -13.305 1.323 0.838
199 HZ2 LYS 30 1HZ LYS 30 -12.718 0.455 2.137
200 HZ3 LYS 30 2HZ LYS 30 -13.058 -0.319 0.793
201 H TYR 31 H TYR 31 -7.799 2.404 6.328
202 HA TYR 31 HA TYR 31 -5.150 3.390 5.742
203 HB3 TYR 31 2HB TYR 31 -6.185 5.519 5.505
204 HD1 TYR 31 1HD TYR 31 -8.680 5.354 5.136
205 HD2 TYR 31 2HD TYR 31 -6.949 5.629 9.080
206 HE1 TYR 31 1HE TYR 31 -10.923 5.762 6.072
207 HE2 TYR 31 2HE TYR 31 -9.153 6.118 10.012
208 HH TYR 31 HH TYR 31 -12.155 5.830 8.098
209 H LEU 32 H LEU 32 -3.832 2.763 7.456
210 HA LEU 32 HA LEU 32 -4.985 1.263 9.646
211 HB3 LEU 32 2HB LEU 32 -2.620 1.024 10.242
212 HG LEU 32 HG LEU 32 -1.835 -0.321 8.599
213 HD11 LEU 32 1HD1 LEU 32 -3.643 -1.586 7.637
214 HD12 LEU 32 2HD1 LEU 32 -4.758 -0.230 7.742
215 HD13 LEU 32 3HD1 LEU 32 -4.179 -1.045 9.214
216 HD21 LEU 32 3HD2 LEU 32 -2.186 -0.236 6.256
217 HD22 LEU 32 1HD2 LEU 32 -1.394 1.194 6.864
218 HD23 LEU 32 2HD2 LEU 32 -3.125 1.256 6.393
219 H SER 33 H SER 33 -4.912 1.783 11.744
220 HA SER 33 HA SER 33 -4.602 4.583 12.565
221 HB3 SER 33 2HB SER 33 -4.680 2.304 14.536
222 HG SER 33 HG SER 33 -5.745 3.834 15.670
223 H LEU 34 H LEU 34 -3.058 4.806 14.599
224 HA LEU 34 HA LEU 34 -0.326 4.457 13.901
225 HB3 LEU 34 2HB LEU 34 -0.154 4.606 16.578
226 HG LEU 34 HG LEU 34 -0.881 6.706 14.548
227 HD11 LEU 34 1HD1 LEU 34 -2.249 7.402 16.439
228 HD12 LEU 34 2HD1 LEU 34 -0.862 8.479 16.264
229 HD13 LEU 34 3HD1 LEU 34 -0.866 7.239 17.541
230 HD21 LEU 34 3HD2 LEU 34 1.287 7.644 15.275
231 HD22 LEU 34 1HD2 LEU 34 1.472 5.920 14.897
232 HD23 LEU 34 2HD2 LEU 34 1.393 6.427 16.573
233 H THR 35 H THR 35 -2.354 2.554 16.098
234 HA THR 35 HA THR 35 -0.471 0.737 16.963
235 HB THR 35 HB THR 35 -3.335 -0.097 16.532
236 HG1 THR 35 1HG THR 35 -4.156 1.278 17.874
237 HG21 THR 35 3HG2 THR 35 -1.452 -0.173 18.939
238 HG22 THR 35 1HG2 THR 35 -2.001 -1.547 17.942
239 HG23 THR 35 2HG2 THR 35 -3.145 -0.698 18.984
240 H GLU 36 H GLU 36 -2.649 0.568 14.166
241 HA GLU 36 HA GLU 36 -2.009 -2.113 13.329
242 HB3 GLU 36 2HB GLU 36 -3.342 -1.209 11.261
243 HG3 GLU 36 2HG GLU 36 -5.481 -1.247 12.469
244 H ARG 37 H ARG 37 -1.076 1.156 12.248
245 HA ARG 37 HA ARG 37 0.324 0.351 9.906
246 HB3 ARG 37 2HB ARG 37 0.783 2.721 11.787
247 HG3 ARG 37 2HG ARG 37 1.475 2.303 8.845
248 HD3 ARG 37 2HD ARG 37 0.451 4.493 9.105
249 HE ARG 37 HE ARG 37 2.415 4.977 11.358
250 HH11 ARG 37 1HH1 ARG 37 -0.865 5.597 10.050
251 HH12 ARG 37 2HH1 ARG 37 -1.184 6.785 11.259
252 HH21 ARG 37 1HH2 ARG 37 2.036 6.474 12.748
253 HH22 ARG 37 2HH2 ARG 37 0.663 7.564 12.627
254 H SER 38 H SER 38 1.342 0.697 13.293
255 HA SER 38 HA SER 38 4.078 0.035 12.965
256 HB3 SER 38 2HB SER 38 2.216 -0.467 15.325
257 HG SER 38 HG SER 38 4.033 0.035 16.504
258 H GLN 39 H GLN 39 1.168 -2.050 12.936
259 HA GLN 39 HA GLN 39 2.632 -4.475 13.637
260 HB3 GLN 39 2HB GLN 39 0.578 -5.644 13.193
261 HG3 GLN 39 2HG GLN 39 -0.831 -3.397 14.378
262 HE21 GLN 39 1HE2 GLN 39 0.582 -4.522 17.044
263 HE22 GLN 39 2HE2 GLN 39 -0.321 -6.036 17.254
264 H ILE 40 H ILE 40 0.954 -3.315 10.677
265 HA ILE 40 HA ILE 40 2.048 -5.235 8.946
266 HB ILE 40 HB ILE 40 1.141 -2.394 8.327
267 HG13 ILE 40 2HG1 ILE 40 -0.581 -3.691 9.502
268 HG21 ILE 40 1HG2 ILE 40 2.454 -3.363 6.440
269 HG22 ILE 40 2HG2 ILE 40 1.398 -4.792 6.456
270 HG23 ILE 40 3HG2 ILE 40 0.757 -3.197 6.017
271 HD11 ILE 40 3HD1 ILE 40 -1.287 -2.339 7.461
272 HD12 ILE 40 1HD1 ILE 40 -1.378 -3.900 6.603
273 HD13 ILE 40 2HD1 ILE 40 -2.378 -3.611 8.039
274 H ALA 41 H ALA 41 3.406 -2.099 9.996
275 HA ALA 41 HA ALA 41 5.658 -2.052 8.324
276 HB1 ALA 41 1HB ALA 41 5.382 -1.108 11.205
277 HB2 ALA 41 2HB ALA 41 6.748 -0.723 10.146
278 HB3 ALA 41 3HB ALA 41 5.126 -0.146 9.731
279 H HIS 42 H HIS 42 5.401 -3.571 11.600
280 HA HIS 42 HA HIS 42 8.097 -4.608 11.463
281 HB3 HIS 42 2HB HIS 42 7.181 -5.994 13.455
282 HD1 HIS 42 1HD HIS 42 8.569 -5.063 15.399
283 HD2 HIS 42 2HD HIS 42 6.860 -2.118 12.913
284 HE1 HIS 42 1HE HIS 42 9.471 -2.835 16.212
285 H ALA 43 H ALA 43 4.878 -5.995 10.743
286 HA ALA 43 HA ALA 43 5.630 -8.675 10.366
287 HB1 ALA 43 1HB ALA 43 3.556 -8.844 9.071
288 HB2 ALA 43 2HB ALA 43 3.295 -7.810 10.490
289 HB3 ALA 43 3HB ALA 43 3.491 -7.084 8.881
290 H LEU 44 H LEU 44 5.750 -5.913 8.128
291 HA LEU 44 HA LEU 44 6.965 -7.658 6.039
292 HB3 LEU 44 2HB LEU 44 6.188 -5.955 4.470
293 HG LEU 44 HG LEU 44 3.856 -6.875 6.169
294 HD11 LEU 44 1HD1 LEU 44 4.201 -5.820 3.329
295 HD12 LEU 44 2HD1 LEU 44 3.430 -4.960 4.683
296 HD13 LEU 44 3HD1 LEU 44 2.661 -6.416 4.020
297 HD21 LEU 44 3HD2 LEU 44 5.139 -8.808 5.329
298 HD22 LEU 44 1HD2 LEU 44 5.208 -8.097 3.695
299 HD23 LEU 44 2HD2 LEU 44 3.659 -8.622 4.384
300 H LYS 45 H LYS 45 8.485 -6.137 8.299
301 HA LYS 45 HA LYS 45 10.358 -4.935 8.509
302 HB3 LYS 45 2HB LYS 45 11.187 -6.874 7.207
303 HG3 LYS 45 2HG LYS 45 10.795 -5.096 4.842
304 HD3 LYS 45 2HD LYS 45 12.650 -6.257 3.654
305 HE3 LYS 45 2HE LYS 45 13.280 -4.315 5.920
306 HZ1 LYS 45 3HZ LYS 45 14.807 -4.877 3.462
307 HZ2 LYS 45 1HZ LYS 45 15.292 -5.197 5.020
308 HZ3 LYS 45 2HZ LYS 45 15.064 -3.636 4.531
309 H LEU 46 H LEU 46 8.165 -3.322 7.550
310 HA LEU 46 HA LEU 46 9.537 -1.171 6.019
311 HB3 LEU 46 2HB LEU 46 7.139 -0.284 5.852
312 HG LEU 46 HG LEU 46 7.747 -2.961 4.636
313 HD11 LEU 46 1HD1 LEU 46 5.317 -2.573 4.633
314 HD12 LEU 46 2HD1 LEU 46 5.974 -2.518 2.994
315 HD13 LEU 46 3HD1 LEU 46 5.566 -1.001 3.831
316 HD21 LEU 46 3HD2 LEU 46 7.910 -0.224 3.351
317 HD22 LEU 46 1HD2 LEU 46 8.296 -1.766 2.583
318 HD23 LEU 46 2HD2 LEU 46 9.315 -1.186 3.892
319 H SER 47 H SER 47 8.293 0.891 6.865
320 HA SER 47 HA SER 47 8.572 1.130 9.821
321 HB3 SER 47 2HB SER 47 9.866 3.187 9.585
322 HG SER 47 HG SER 47 11.187 1.383 7.859
323 H GLU 48 H GLU 48 7.434 3.324 10.524
324 HA GLU 48 HA GLU 48 4.809 3.049 9.620
325 HB3 GLU 48 2HB GLU 48 4.430 5.296 10.718
326 HG3 GLU 48 2HG GLU 48 6.034 3.445 12.516
327 H VAL 49 H VAL 49 7.225 5.349 8.593
328 HA VAL 49 HA VAL 49 5.707 7.029 6.816
329 HB VAL 49 HB VAL 49 8.616 6.252 7.221
330 HG11 VAL 49 1HG1 VAL 49 7.598 8.236 5.150
331 HG12 VAL 49 2HG1 VAL 49 9.303 8.028 5.668
332 HG13 VAL 49 3HG1 VAL 49 8.491 6.728 4.824
333 HG21 VAL 49 3HG2 VAL 49 7.120 8.889 7.548
334 HG22 VAL 49 1HG2 VAL 49 7.483 7.758 8.871
335 HG23 VAL 49 2HG2 VAL 49 8.806 8.551 8.011
336 H GLN 50 H GLN 50 7.838 4.159 6.219
337 HA GLN 50 HA GLN 50 7.242 4.082 3.457
338 HB3 GLN 50 2HB GLN 50 8.328 1.906 3.501
339 HG3 GLN 50 2HG GLN 50 10.121 2.889 5.522
340 HE21 GLN 50 1HE2 GLN 50 11.414 1.417 4.669
341 HE22 GLN 50 2HE2 GLN 50 12.198 1.461 3.074
342 H VAL 51 H VAL 51 5.309 3.022 6.143
343 HA VAL 51 HA VAL 51 3.641 1.405 4.263
344 HB VAL 51 HB VAL 51 3.041 1.957 7.175
345 HG11 VAL 51 1HG1 VAL 51 1.502 0.015 6.931
346 HG12 VAL 51 2HG1 VAL 51 1.064 1.286 5.784
347 HG13 VAL 51 3HG1 VAL 51 1.951 -0.133 5.219
348 HG21 VAL 51 3HG2 VAL 51 3.759 -0.378 7.599
349 HG22 VAL 51 1HG2 VAL 51 4.323 -0.513 5.920
350 HG23 VAL 51 2HG2 VAL 51 5.110 0.604 7.052
351 H LYS 52 H LYS 52 3.518 4.435 6.137
352 HA LYS 52 HA LYS 52 0.916 5.252 5.520
353 HB3 LYS 52 2HB LYS 52 3.454 6.762 6.169
354 HG3 LYS 52 2HG LYS 52 0.647 7.847 5.777
355 HD3 LYS 52 2HD LYS 52 2.756 8.580 7.799
356 HE3 LYS 52 2HE LYS 52 1.237 10.537 6.059
357 HZ1 LYS 52 3HZ LYS 52 0.714 11.278 8.194
358 HZ2 LYS 52 1HZ LYS 52 2.048 12.158 7.778
359 HZ3 LYS 52 2HZ LYS 52 2.191 10.883 8.824
360 H ILE 53 H ILE 53 3.909 5.976 3.651
361 HA ILE 53 HA ILE 53 2.578 7.701 1.799
362 HB ILE 53 HB ILE 53 5.195 6.142 1.545
363 HG13 ILE 53 2HG1 ILE 53 5.206 7.624 3.512
364 HG21 ILE 53 1HG2 ILE 53 5.856 7.605 -0.201
365 HG22 ILE 53 2HG2 ILE 53 4.303 6.959 -0.667
366 HG23 ILE 53 3HG2 ILE 53 4.397 8.615 -0.018
367 HD11 ILE 53 3HD1 ILE 53 6.818 8.955 1.318
368 HD12 ILE 53 1HD1 ILE 53 7.079 9.032 3.058
369 HD13 ILE 53 2HD1 ILE 53 7.332 7.497 2.211
370 H TRP 54 H TRP 54 3.350 4.139 1.507
371 HA TRP 54 HA TRP 54 2.264 3.785 -1.030
372 HB3 TRP 54 2HB TRP 54 1.964 1.744 1.184
373 HD1 TRP 54 HD TRP 54 4.149 1.052 -1.775
374 HE1 TRP 54 1HE TRP 54 3.015 -0.688 -3.291
375 HE3 TRP 54 3HE TRP 54 -0.446 0.885 0.463
376 HZ2 TRP 54 2HZ TRP 54 0.407 -1.931 -3.554
377 HZ3 TRP 54 3HZ TRP 54 -2.182 -0.618 -0.362
378 HH2 TRP 54 HH TRP 54 -1.802 -1.997 -2.416
379 H PHE 55 H PHE 55 0.569 3.336 2.110
380 HA PHE 55 HA PHE 55 -1.991 2.780 0.964
381 HB3 PHE 55 2HB PHE 55 -2.743 3.482 3.347
382 HD1 PHE 55 2HD PHE 55 0.461 1.390 3.110
383 HD2 PHE 55 1HD PHE 55 -3.831 1.429 3.616
384 HE1 PHE 55 2HE PHE 55 0.457 -1.033 3.567
385 HE2 PHE 55 1HE PHE 55 -3.798 -1.019 3.851
386 HZ PHE 55 HZ PHE 55 -1.638 -2.254 3.836
387 H GLN 56 H GLN 56 -0.435 5.868 1.849
388 HA GLN 56 HA GLN 56 -2.701 7.577 1.421
389 HB3 GLN 56 2HB GLN 56 -0.621 9.123 0.627
390 HG3 GLN 56 2HG GLN 56 -0.600 8.358 3.551
391 HE21 GLN 56 1HE2 GLN 56 1.393 9.871 1.900
392 HE22 GLN 56 2HE2 GLN 56 1.306 11.499 2.537
393 H ASN 57 H ASN 57 -0.256 6.188 -0.783
394 HA ASN 57 HA ASN 57 -1.074 7.670 -3.090
395 HB3 ASN 57 2HB ASN 57 0.044 5.231 -3.992
396 HD21 ASN 57 1HD2 ASN 57 2.374 7.220 -2.354
397 HD22 ASN 57 2HD2 ASN 57 2.885 8.111 -3.771
398 H ARG 58 H ARG 58 -1.891 4.441 -1.856
399 HA ARG 58 HA ARG 58 -3.670 3.701 -3.981
400 HB3 ARG 58 2HB ARG 58 -4.395 2.478 -1.448
401 HG3 ARG 58 2HG ARG 58 -4.355 1.313 -3.666
402 HD3 ARG 58 2HD ARG 58 -1.338 1.408 -3.204
403 HE ARG 58 HE ARG 58 -2.718 -0.634 -4.478
404 HH11 ARG 58 1HH1 ARG 58 -0.284 1.792 -5.501
405 HH12 ARG 58 2HH1 ARG 58 0.559 0.630 -6.496
406 HH21 ARG 58 1HH2 ARG 58 -1.560 -2.087 -6.026
407 HH22 ARG 58 2HH2 ARG 58 -0.150 -1.460 -6.777
408 H ARG 59 H ARG 59 -4.416 5.165 -0.744
409 HA ARG 59 HA ARG 59 -7.197 5.262 -1.109
410 HB3 ARG 59 2HB ARG 59 -6.967 7.500 0.284
411 HG3 ARG 59 2HG ARG 59 -5.918 4.970 1.571
412 HD3 ARG 59 2HD ARG 59 -7.482 5.853 3.392
413 HE ARG 59 HE ARG 59 -4.968 6.452 3.227
414 HH11 ARG 59 1HH1 ARG 59 -7.621 8.834 3.598
415 HH12 ARG 59 2HH1 ARG 59 -6.605 10.016 4.349
416 HH21 ARG 59 1HH2 ARG 59 -3.712 7.918 4.413
417 HH22 ARG 59 2HH2 ARG 59 -4.341 9.470 4.871
418 H ALA 60 H ALA 60 -4.774 7.565 -2.372
419 HA ALA 60 HA ALA 60 -6.583 9.605 -3.071
420 HB1 ALA 60 1HB ALA 60 -4.036 8.789 -4.533
421 HB2 ALA 60 2HB ALA 60 -4.813 10.386 -4.539
422 HB3 ALA 60 3HB ALA 60 -4.073 9.755 -3.050
423 H LYS 61 H LYS 61 -5.395 6.830 -5.066
424 HA LYS 61 HA LYS 61 -7.053 7.509 -7.276
425 HB3 LYS 61 2HB LYS 61 -6.149 4.678 -6.620
426 HG3 LYS 61 2HG LYS 61 -6.507 6.286 -9.201
427 HD3 LYS 61 2HD LYS 61 -6.175 3.276 -8.935
428 HE3 LYS 61 2HE LYS 61 -5.852 5.241 -11.258
429 HZ1 LYS 61 3HZ LYS 61 -5.653 3.433 -12.615
430 HZ2 LYS 61 1HZ LYS 61 -6.379 2.390 -11.593
431 HZ3 LYS 61 2HZ LYS 61 -4.813 2.899 -11.308
432 H TRP 62 H TRP 62 -7.672 5.407 -4.425
433 HA TRP 62 HA TRP 62 -10.155 4.353 -5.306
434 HB3 TRP 62 2HB TRP 62 -8.933 4.889 -2.597
435 HD1 TRP 62 HD TRP 62 -11.998 2.861 -3.792
436 HE1 TRP 62 1HE TRP 62 -13.748 2.815 -1.969
437 HE3 TRP 62 3HE TRP 62 -9.676 5.949 -0.467
438 HZ2 TRP 62 2HZ TRP 62 -14.039 3.873 0.746
439 HZ3 TRP 62 3HZ TRP 62 -10.753 6.486 1.716
440 HH2 TRP 62 HH TRP 62 -12.935 5.461 2.320
441 H LYS 63 H LYS 63 -9.433 7.468 -3.617
442 HA LYS 63 HA LYS 63 -12.140 8.298 -3.347
443 HB3 LYS 63 2HB LYS 63 -11.123 10.626 -3.540
444 HG3 LYS 63 2HG LYS 63 -9.355 9.441 -1.519
445 HD3 LYS 63 2HD LYS 63 -11.848 11.186 -1.536
446 HE3 LYS 63 2HE LYS 63 -11.472 9.655 0.605
447 HZ1 LYS 63 3HZ LYS 63 -9.273 10.426 1.194
448 HZ2 LYS 63 1HZ LYS 63 -10.339 11.196 2.223
449 HZ3 LYS 63 2HZ LYS 63 -9.673 11.976 0.956
450 H ARG 64 H ARG 64 -10.023 8.381 -6.230
451 HA ARG 64 HA ARG 64 -11.897 9.933 -7.814
452 HB3 ARG 64 2HB ARG 64 -10.080 8.950 -9.580
453 HG3 ARG 64 2HG ARG 64 -8.692 10.996 -8.012
454 HD3 ARG 64 2HD ARG 64 -10.089 10.925 -10.709
455 HE ARG 64 HE ARG 64 -8.266 12.980 -9.588
456 HH11 ARG 64 1HH1 ARG 64 -10.042 11.855 -12.449
457 HH12 ARG 64 2HH1 ARG 64 -10.497 13.410 -13.023
458 HH21 ARG 64 1HH2 ARG 64 -8.284 15.022 -10.620
459 HH22 ARG 64 2HH2 ARG 64 -9.274 15.305 -12.009
460 H ILE 65 H ILE 65 -12.035 6.815 -6.733
461 HA ILE 65 HA ILE 65 -13.525 5.980 -9.135
462 HB ILE 65 HB ILE 65 -11.863 4.306 -7.213
463 HG13 ILE 65 2HG1 ILE 65 -10.551 5.601 -8.872
464 HG21 ILE 65 1HG2 ILE 65 -13.560 3.406 -9.584
465 HG22 ILE 65 2HG2 ILE 65 -12.458 2.362 -8.650
466 HG23 ILE 65 3HG2 ILE 65 -13.872 3.049 -7.874
467 HD11 ILE 65 3HD1 ILE 65 -9.343 3.926 -10.039
468 HD12 ILE 65 1HD1 ILE 65 -9.772 3.290 -8.436
469 HD13 ILE 65 2HD1 ILE 65 -10.654 2.754 -9.895
470 H LYS 66 H LYS 66 -13.653 6.319 -5.586
471 HA LYS 66 HA LYS 66 -16.122 4.934 -5.284
472 HB3 LYS 66 2HB LYS 66 -14.295 6.764 -3.676
473 HG3 LYS 66 2HG LYS 66 -16.786 5.403 -2.639
474 HD3 LYS 66 2HD LYS 66 -14.666 7.228 -1.431
475 HE3 LYS 66 2HE LYS 66 -16.753 7.844 -0.356
476 HZ1 LYS 66 3HZ LYS 66 -17.204 4.943 0.012
477 HZ2 LYS 66 1HZ LYS 66 -18.188 6.048 -0.709
478 HZ3 LYS 66 2HZ LYS 66 -17.971 6.111 0.900
479 H ALA 67 H ALA 67 -15.109 8.280 -5.238
480 HA ALA 67 HA ALA 67 -17.916 9.230 -5.640
481 HB1 ALA 67 1HB ALA 67 -15.898 10.118 -3.528
482 HB2 ALA 67 2HB ALA 67 -17.441 10.913 -3.821
483 HB3 ALA 67 3HB ALA 67 -17.427 9.252 -3.226
484 H GLY 68 H GLY 68 -15.054 9.086 -7.014
485 HA2 GLY 68 1HA GLY 68 -14.290 11.810 -7.583
486 HA3 GLY 68 2HA GLY 68 -13.888 10.383 -8.571
487 H ASN 69 H ASN 69 -15.607 13.259 -8.539
488 HA ASN 69 HA ASN 69 -17.122 12.488 -11.004
489 HB3 ASN 69 2HB ASN 69 -18.800 14.190 -10.139
490 HD21 ASN 69 1HD2 ASN 69 -19.789 12.766 -7.535
491 HD22 ASN 69 2HD2 ASN 69 -20.515 11.305 -8.201
492 H VAL 70 H VAL 70 -14.624 14.138 -10.173
493 HA VAL 70 HA VAL 70 -15.106 16.840 -11.068
494 HB VAL 70 HB VAL 70 -12.520 15.222 -11.140
495 HG11 VAL 70 1HG1 VAL 70 -12.235 17.067 -12.616
496 HG12 VAL 70 2HG1 VAL 70 -13.020 18.194 -11.504
497 HG13 VAL 70 3HG1 VAL 70 -11.419 17.504 -11.112
498 HG21 VAL 70 3HG2 VAL 70 -13.377 15.474 -8.852
499 HG22 VAL 70 1HG2 VAL 70 -11.945 16.469 -9.073
500 HG23 VAL 70 2HG2 VAL 70 -13.559 17.219 -9.084
501 H SER 71 H SER 71 -15.044 13.916 -12.697
502 HA SER 71 HA SER 71 -14.508 13.108 -14.749
503 HB3 SER 71 2HB SER 71 -14.584 14.380 -16.781
504 HG SER 71 HG SER 71 -16.815 15.252 -16.343
Start of MODEL 11
1 H1 SER 1 H SER 1 -1.723 -6.263 -24.002
2 HA SER 1 HA SER 1 0.284 -5.617 -22.811
3 HB3 SER 1 2HB SER 1 0.253 -4.553 -24.892
4 HG SER 1 HG SER 1 -1.305 -2.375 -24.527
5 H ALA 2 H ALA 2 0.798 -5.202 -20.671
6 HA ALA 2 HA ALA 2 -0.621 -2.953 -19.308
7 HB1 ALA 2 1HB ALA 2 -1.462 -5.029 -18.412
8 HB2 ALA 2 2HB ALA 2 0.193 -5.649 -18.191
9 HB3 ALA 2 3HB ALA 2 -0.391 -4.272 -17.236
10 HA PRO 3 HA PRO 3 3.900 -2.038 -19.019
11 HB3 PRO 3 2HB PRO 3 3.960 -0.943 -21.079
12 HG3 PRO 3 2HG PRO 3 2.026 0.165 -21.970
13 HD3 PRO 3 2HD PRO 3 1.374 -2.069 -21.649
14 H GLY 4 H GLY 4 4.637 -0.014 -17.719
15 HA2 GLY 4 1HA GLY 4 4.384 1.371 -15.854
16 HA3 GLY 4 2HA GLY 4 2.658 0.972 -15.762
17 H GLY 5 H GLY 5 4.795 0.835 -13.661
18 HA2 GLY 5 1HA GLY 5 5.230 -0.556 -11.854
19 HA3 GLY 5 2HA GLY 5 4.270 -1.838 -12.592
20 H LYS 6 H LYS 6 5.376 -2.527 -14.813
21 HA LYS 6 HA LYS 6 6.773 -4.013 -15.637
22 HB3 LYS 6 2HB LYS 6 7.752 -1.907 -16.458
23 HG3 LYS 6 2HG LYS 6 9.848 -2.355 -14.272
24 HD3 LYS 6 2HD LYS 6 9.886 -0.424 -16.620
25 HE3 LYS 6 2HE LYS 6 11.934 -1.110 -14.468
26 HZ1 LYS 6 3HZ LYS 6 13.257 0.581 -15.598
27 HZ2 LYS 6 1HZ LYS 6 12.201 0.632 -16.855
28 HZ3 LYS 6 2HZ LYS 6 13.066 -0.734 -16.537
29 H SER 7 H SER 7 6.529 -4.067 -12.564
30 HA SER 7 HA SER 7 8.950 -5.668 -11.937
31 HB3 SER 7 2HB SER 7 8.911 -4.510 -9.751
32 HG SER 7 HG SER 7 8.686 -2.442 -11.652
33 H ARG 8 H ARG 8 8.558 -7.464 -10.634
34 HA ARG 8 HA ARG 8 5.811 -7.852 -9.566
35 HB3 ARG 8 2HB ARG 8 5.859 -8.694 -11.870
36 HG3 ARG 8 2HG ARG 8 7.560 -11.021 -10.909
37 HD3 ARG 8 2HD ARG 8 7.707 -11.557 -13.277
38 HE ARG 8 HE ARG 8 5.498 -12.123 -12.172
39 HH11 ARG 8 1HH1 ARG 8 5.627 -10.132 -15.129
40 HH12 ARG 8 2HH1 ARG 8 3.949 -10.359 -15.481
41 HH21 ARG 8 1HH2 ARG 8 3.376 -12.389 -12.625
42 HH22 ARG 8 2HH2 ARG 8 2.566 -11.590 -13.938
43 H ARG 9 H ARG 9 8.806 -7.669 -8.466
44 HA ARG 9 HA ARG 9 8.491 -9.838 -6.519
45 HB3 ARG 9 2HB ARG 9 9.647 -11.052 -8.226
46 HG3 ARG 9 2HG ARG 9 11.600 -8.699 -8.281
47 HD3 ARG 9 2HD ARG 9 12.588 -10.116 -10.203
48 HE ARG 9 HE ARG 9 13.472 -9.968 -7.621
49 HH11 ARG 9 1HH1 ARG 9 13.425 -12.568 -10.065
50 HH12 ARG 9 2HH1 ARG 9 14.840 -13.345 -9.396
51 HH21 ARG 9 1HH2 ARG 9 15.433 -10.995 -6.855
52 HH22 ARG 9 2HH2 ARG 9 16.019 -12.372 -7.712
53 H ARG 10 H ARG 10 10.649 -9.865 -5.144
54 HA ARG 10 HA ARG 10 11.566 -7.295 -4.137
55 HB3 ARG 10 2HB ARG 10 12.062 -9.129 -2.723
56 HG3 ARG 10 2HG ARG 10 13.989 -10.760 -3.815
57 HD3 ARG 10 2HD ARG 10 12.226 -12.524 -3.878
58 HE ARG 10 HE ARG 10 12.422 -10.815 -1.412
59 HH11 ARG 10 1HH1 ARG 10 12.394 -14.102 -2.854
60 HH12 ARG 10 2HH1 ARG 10 12.988 -14.838 -1.417
61 HH21 ARG 10 1HH2 ARG 10 13.070 -11.813 0.489
62 HH22 ARG 10 2HH2 ARG 10 13.222 -13.530 0.554
63 H ARG 11 H ARG 11 12.028 -5.919 -5.793
64 HA ARG 11 HA ARG 11 14.808 -6.206 -6.383
65 HB3 ARG 11 2HB ARG 11 13.426 -5.387 -8.905
66 HG3 ARG 11 2HG ARG 11 15.617 -7.454 -8.414
67 HD3 ARG 11 2HD ARG 11 14.742 -5.778 -10.810
68 HE ARG 11 HE ARG 11 17.281 -6.718 -10.425
69 HH11 ARG 11 1HH1 ARG 11 14.624 -7.251 -12.763
70 HH12 ARG 11 2HH1 ARG 11 15.724 -7.531 -14.081
71 HH21 ARG 11 1HH2 ARG 11 18.687 -7.312 -12.253
72 HH22 ARG 11 2HH2 ARG 11 17.938 -7.741 -13.771
73 H THR 12 H THR 12 12.634 -4.572 -5.053
74 HA THR 12 HA THR 12 13.298 -1.857 -5.991
75 HB THR 12 HB THR 12 10.421 -2.314 -5.473
76 HG1 THR 12 1HG THR 12 11.284 -3.343 -7.940
77 HG21 THR 12 3HG2 THR 12 11.335 -0.234 -6.437
78 HG22 THR 12 1HG2 THR 12 10.176 -0.979 -7.528
79 HG23 THR 12 2HG2 THR 12 11.925 -1.142 -7.854
80 H ALA 13 H ALA 13 11.596 -0.408 -4.443
81 HA ALA 13 HA ALA 13 12.629 -0.470 -1.823
82 HB1 ALA 13 1HB ALA 13 11.655 1.515 -2.754
83 HB2 ALA 13 2HB ALA 13 10.097 0.717 -3.037
84 HB3 ALA 13 3HB ALA 13 10.629 1.033 -1.380
85 H PHE 14 H PHE 14 9.946 -2.268 -3.252
86 HA PHE 14 HA PHE 14 9.323 -3.444 -0.600
87 HB3 PHE 14 2HB PHE 14 7.006 -3.685 -1.358
88 HD1 PHE 14 1HD PHE 14 8.017 -0.456 -2.904
89 HD2 PHE 14 2HD PHE 14 6.519 -2.383 0.613
90 HE1 PHE 14 1HE PHE 14 7.543 1.773 -1.900
91 HE2 PHE 14 2HE PHE 14 6.014 -0.167 1.623
92 HZ PHE 14 HZ PHE 14 6.536 1.916 0.375
93 H THR 15 H THR 15 8.704 -5.771 -0.803
94 HA THR 15 HA THR 15 9.754 -7.017 -3.270
95 HB THR 15 HB THR 15 9.905 -9.046 -2.138
96 HG1 THR 15 1HG THR 15 9.131 -9.324 -0.002
97 HG21 THR 15 3HG2 THR 15 11.413 -8.609 -0.287
98 HG22 THR 15 1HG2 THR 15 10.699 -7.028 0.026
99 HG23 THR 15 2HG2 THR 15 11.648 -7.287 -1.449
100 H SER 16 H SER 16 8.368 -9.156 -3.798
101 HA SER 16 HA SER 16 5.808 -8.446 -4.797
102 HB3 SER 16 2HB SER 16 6.515 -10.345 -5.861
103 HG SER 16 HG SER 16 7.807 -11.967 -4.509
104 H GLU 17 H GLU 17 6.958 -10.299 -1.960
105 HA GLU 17 HA GLU 17 4.502 -11.055 -0.953
106 HB3 GLU 17 2HB GLU 17 7.188 -10.594 0.364
107 HG3 GLU 17 2HG GLU 17 5.259 -12.873 0.888
108 H GLN 18 H GLN 18 6.587 -8.252 -0.232
109 HA GLN 18 HA GLN 18 4.943 -7.209 1.878
110 HB3 GLN 18 2HB GLN 18 6.262 -5.091 1.432
111 HG3 GLN 18 2HG GLN 18 7.871 -7.674 1.734
112 HE21 GLN 18 1HE2 GLN 18 8.960 -6.471 4.198
113 HE22 GLN 18 2HE2 GLN 18 10.226 -5.398 3.749
114 H LEU 19 H LEU 19 5.052 -6.626 -1.669
115 HA LEU 19 HA LEU 19 3.178 -4.449 -1.590
116 HB3 LEU 19 2HB LEU 19 2.921 -5.095 -4.103
117 HG LEU 19 HG LEU 19 5.631 -4.444 -2.921
118 HD11 LEU 19 1HD1 LEU 19 5.895 -5.556 -5.110
119 HD12 LEU 19 2HD1 LEU 19 6.413 -3.873 -5.147
120 HD13 LEU 19 3HD1 LEU 19 4.843 -4.348 -5.860
121 HD21 LEU 19 3HD2 LEU 19 3.564 -2.717 -4.337
122 HD22 LEU 19 1HD2 LEU 19 5.154 -2.161 -3.738
123 HD23 LEU 19 2HD2 LEU 19 3.925 -2.727 -2.601
124 H LEU 20 H LEU 20 2.722 -7.964 -2.069
125 HA LEU 20 HA LEU 20 -0.039 -7.693 -2.823
126 HB3 LEU 20 2HB LEU 20 1.507 -10.091 -1.765
127 HG LEU 20 HG LEU 20 -1.336 -9.730 -2.663
128 HD11 LEU 20 1HD1 LEU 20 0.291 -12.001 -3.809
129 HD12 LEU 20 2HD1 LEU 20 -0.368 -10.648 -4.723
130 HD13 LEU 20 3HD1 LEU 20 -1.485 -11.778 -3.925
131 HD21 LEU 20 3HD2 LEU 20 0.123 -12.028 -1.276
132 HD22 LEU 20 1HD2 LEU 20 -1.646 -11.854 -1.439
133 HD23 LEU 20 2HD2 LEU 20 -0.699 -10.722 -0.445
134 H GLU 21 H GLU 21 1.585 -7.903 0.327
135 HA GLU 21 HA GLU 21 -0.890 -8.290 1.818
136 HB3 GLU 21 2HB GLU 21 0.810 -7.491 3.687
137 HG3 GLU 21 2HG GLU 21 1.970 -9.726 3.599
138 H LEU 22 H LEU 22 1.112 -5.500 0.845
139 HA LEU 22 HA LEU 22 -0.182 -3.577 2.496
140 HB3 LEU 22 2HB LEU 22 0.651 -2.196 0.203
141 HG LEU 22 HG LEU 22 1.584 -1.387 2.141
142 HD11 LEU 22 1HD1 LEU 22 3.172 -2.641 3.622
143 HD12 LEU 22 2HD1 LEU 22 2.712 -4.121 2.743
144 HD13 LEU 22 3HD1 LEU 22 1.515 -3.240 3.715
145 HD21 LEU 22 3HD2 LEU 22 3.893 -2.898 0.881
146 HD22 LEU 22 1HD2 LEU 22 3.959 -1.345 1.749
147 HD23 LEU 22 2HD2 LEU 22 3.154 -1.463 0.173
148 H GLU 23 H GLU 23 -1.071 -4.763 -0.692
149 HA GLU 23 HA GLU 23 -3.157 -2.771 -1.051
150 HB3 GLU 23 2HB GLU 23 -2.170 -3.774 -2.990
151 HG3 GLU 23 2HG GLU 23 -2.894 -6.408 -1.700
152 H LYS 24 H LYS 24 -2.916 -5.772 0.701
153 HA LYS 24 HA LYS 24 -5.540 -6.776 0.367
154 HB3 LYS 24 2HB LYS 24 -3.780 -7.230 2.821
155 HG3 LYS 24 2HG LYS 24 -5.774 -8.819 1.243
156 HD3 LYS 24 2HD LYS 24 -4.727 -10.906 2.342
157 HE3 LYS 24 2HE LYS 24 -2.901 -11.092 0.550
158 HZ1 LYS 24 3HZ LYS 24 -5.695 -10.514 0.012
159 HZ2 LYS 24 1HZ LYS 24 -4.857 -11.855 -0.252
160 HZ3 LYS 24 2HZ LYS 24 -4.672 -10.567 -1.293
161 H GLU 25 H GLU 25 -4.041 -5.061 3.105
162 HA GLU 25 HA GLU 25 -6.216 -4.212 4.579
163 HB3 GLU 25 2HB GLU 25 -4.590 -2.055 4.734
164 HG3 GLU 25 2HG GLU 25 -4.601 -3.322 6.645
165 H PHE 26 H PHE 26 -5.366 -3.120 1.275
166 HA PHE 26 HA PHE 26 -6.701 -0.538 1.704
167 HB3 PHE 26 2HB PHE 26 -5.698 -1.473 -1.006
168 HD1 PHE 26 2HD PHE 26 -5.121 1.312 1.496
169 HD2 PHE 26 1HD PHE 26 -6.573 0.226 -2.401
170 HE1 PHE 26 2HE PHE 26 -5.671 3.674 1.046
171 HE2 PHE 26 1HE PHE 26 -7.079 2.602 -2.892
172 HZ PHE 26 HZ PHE 26 -6.664 4.332 -1.166
173 H HIS 27 H HIS 27 -7.892 -3.531 1.285
174 HA HIS 27 HA HIS 27 -10.072 -2.654 -0.517
175 HB3 HIS 27 2HB HIS 27 -10.130 -5.320 0.798
176 HD1 HIS 27 1HD HIS 27 -11.851 -6.748 -0.628
177 HD2 HIS 27 2HD HIS 27 -10.263 -3.397 -2.641
178 HE1 HIS 27 1HE HIS 27 -13.184 -6.491 -2.780
179 H CYS 28 H CYS 28 -9.797 -4.070 2.852
180 HA CYS 28 HA CYS 28 -12.489 -3.018 3.367
181 HB3 CYS 28 2HB CYS 28 -12.370 -4.402 5.385
182 HG CYS 28 HG CYS 28 -11.143 -6.274 2.973
183 H LYS 29 H LYS 29 -9.111 -2.180 4.135
184 HA LYS 29 HA LYS 29 -10.138 -0.123 5.975
185 HB3 LYS 29 2HB LYS 29 -8.069 -0.452 7.344
186 HG3 LYS 29 2HG LYS 29 -8.682 -2.584 8.439
187 HD3 LYS 29 2HD LYS 29 -11.135 -0.930 7.688
188 HE3 LYS 29 2HE LYS 29 -10.610 -2.685 10.101
189 HZ1 LYS 29 3HZ LYS 29 -13.156 -1.513 9.190
190 HZ2 LYS 29 1HZ LYS 29 -12.178 -0.777 10.321
191 HZ3 LYS 29 2HZ LYS 29 -12.828 -2.269 10.600
192 H LYS 30 H LYS 30 -10.174 1.162 4.061
193 HA LYS 30 HA LYS 30 -7.851 1.922 2.565
194 HB3 LYS 30 2HB LYS 30 -9.156 4.049 2.152
195 HG3 LYS 30 2HG LYS 30 -11.169 3.131 1.098
196 HD3 LYS 30 2HD LYS 30 -8.803 1.290 0.618
197 HE3 LYS 30 2HE LYS 30 -9.590 1.052 -1.639
198 HZ1 LYS 30 3HZ LYS 30 -11.613 -0.102 -1.382
199 HZ2 LYS 30 1HZ LYS 30 -12.039 0.732 -0.036
200 HZ3 LYS 30 2HZ LYS 30 -10.790 -0.353 0.006
201 H TYR 31 H TYR 31 -8.673 2.664 5.877
202 HA TYR 31 HA TYR 31 -6.410 4.552 6.052
203 HB3 TYR 31 2HB TYR 31 -7.732 5.812 7.755
204 HD1 TYR 31 1HD TYR 31 -10.280 5.201 5.123
205 HD2 TYR 31 2HD TYR 31 -6.967 7.662 6.380
206 HE1 TYR 31 1HE TYR 31 -10.803 6.813 3.320
207 HE2 TYR 31 2HE TYR 31 -7.500 9.286 4.590
208 HH TYR 31 HH TYR 31 -10.318 9.071 2.505
209 H LEU 32 H LEU 32 -5.015 3.519 7.261
210 HA LEU 32 HA LEU 32 -5.721 1.478 9.279
211 HB3 LEU 32 2HB LEU 32 -3.291 1.694 9.864
212 HG LEU 32 HG LEU 32 -3.515 1.557 6.861
213 HD11 LEU 32 1HD1 LEU 32 -1.602 0.256 8.827
214 HD12 LEU 32 2HD1 LEU 32 -1.233 1.681 7.827
215 HD13 LEU 32 3HD1 LEU 32 -1.521 0.109 7.071
216 HD21 LEU 32 3HD2 LEU 32 -3.758 -0.926 7.112
217 HD22 LEU 32 1HD2 LEU 32 -5.167 -0.054 7.705
218 HD23 LEU 32 2HD2 LEU 32 -3.980 -0.717 8.849
219 H SER 33 H SER 33 -5.575 1.789 11.500
220 HA SER 33 HA SER 33 -6.182 4.451 12.460
221 HB3 SER 33 2HB SER 33 -6.919 2.048 13.321
222 HG SER 33 HG SER 33 -5.573 1.918 15.395
223 H LEU 34 H LEU 34 -4.889 5.128 14.486
224 HA LEU 34 HA LEU 34 -2.251 5.765 13.728
225 HB3 LEU 34 2HB LEU 34 -2.251 6.200 16.451
226 HG LEU 34 HG LEU 34 -3.410 7.796 14.133
227 HD11 LEU 34 1HD1 LEU 34 -3.247 9.794 15.690
228 HD12 LEU 34 2HD1 LEU 34 -3.073 8.650 17.028
229 HD13 LEU 34 3HD1 LEU 34 -4.549 8.644 16.054
230 HD21 LEU 34 3HD2 LEU 34 -0.862 8.177 15.754
231 HD22 LEU 34 1HD2 LEU 34 -1.341 9.079 14.313
232 HD23 LEU 34 2HD2 LEU 34 -0.908 7.373 14.178
233 H THR 35 H THR 35 -3.288 2.706 15.012
234 HA THR 35 HA THR 35 -0.446 2.192 15.812
235 HB THR 35 HB THR 35 -2.345 2.194 17.538
236 HG1 THR 35 1HG THR 35 -0.198 1.393 17.740
237 HG21 THR 35 3HG2 THR 35 -3.921 0.653 16.329
238 HG22 THR 35 1HG2 THR 35 -3.499 0.106 17.952
239 HG23 THR 35 2HG2 THR 35 -2.742 -0.657 16.545
240 H GLU 36 H GLU 36 -3.165 0.971 13.873
241 HA GLU 36 HA GLU 36 -2.376 -1.605 13.357
242 HB3 GLU 36 2HB GLU 36 -3.543 -1.231 11.102
243 HG3 GLU 36 2HG GLU 36 -5.707 -0.232 12.157
244 H ARG 37 H ARG 37 -1.233 1.304 11.697
245 HA ARG 37 HA ARG 37 0.407 0.242 9.691
246 HB3 ARG 37 2HB ARG 37 0.909 2.627 11.505
247 HG3 ARG 37 2HG ARG 37 1.788 2.329 8.612
248 HD3 ARG 37 2HD ARG 37 1.329 4.622 9.460
249 HE ARG 37 HE ARG 37 3.068 3.807 11.697
250 HH11 ARG 37 1HH1 ARG 37 1.659 6.588 9.981
251 HH12 ARG 37 2HH1 ARG 37 1.935 7.669 11.308
252 HH21 ARG 37 1HH2 ARG 37 3.538 5.193 13.303
253 HH22 ARG 37 2HH2 ARG 37 3.127 6.869 13.261
254 H SER 38 H SER 38 1.117 0.507 13.172
255 HA SER 38 HA SER 38 3.946 0.054 12.917
256 HB3 SER 38 2HB SER 38 2.189 -0.467 15.339
257 HG SER 38 HG SER 38 3.946 0.163 16.448
258 H GLN 39 H GLN 39 1.023 -1.960 13.496
259 HA GLN 39 HA GLN 39 2.495 -4.376 13.980
260 HB3 GLN 39 2HB GLN 39 0.393 -5.522 13.827
261 HG3 GLN 39 2HG GLN 39 -0.356 -2.838 15.042
262 HE21 GLN 39 1HE2 GLN 39 -2.163 -5.065 14.168
263 HE22 GLN 39 2HE2 GLN 39 -2.882 -5.574 15.664
264 H ILE 40 H ILE 40 0.724 -3.135 11.124
265 HA ILE 40 HA ILE 40 1.391 -5.176 9.308
266 HB ILE 40 HB ILE 40 0.672 -2.244 9.061
267 HG13 ILE 40 2HG1 ILE 40 -0.948 -4.274 9.741
268 HG21 ILE 40 1HG2 ILE 40 1.912 -2.547 7.041
269 HG22 ILE 40 2HG2 ILE 40 1.163 -4.140 6.739
270 HG23 ILE 40 3HG2 ILE 40 0.207 -2.659 6.604
271 HD11 ILE 40 3HD1 ILE 40 -1.752 -2.000 9.453
272 HD12 ILE 40 1HD1 ILE 40 -1.754 -2.207 7.686
273 HD13 ILE 40 2HD1 ILE 40 -2.849 -3.169 8.704
274 H ALA 41 H ALA 41 3.266 -2.160 10.076
275 HA ALA 41 HA ALA 41 5.364 -2.643 8.210
276 HB1 ALA 41 1HB ALA 41 6.708 -1.138 9.606
277 HB2 ALA 41 2HB ALA 41 5.080 -0.481 9.343
278 HB3 ALA 41 3HB ALA 41 5.496 -1.224 10.905
279 H HIS 42 H HIS 42 5.074 -3.625 11.668
280 HA HIS 42 HA HIS 42 7.649 -4.902 11.703
281 HB3 HIS 42 2HB HIS 42 6.604 -5.992 13.819
282 HD1 HIS 42 1HD HIS 42 8.199 -5.055 15.544
283 HD2 HIS 42 2HD HIS 42 6.514 -2.132 13.027
284 HE1 HIS 42 1HE HIS 42 9.244 -2.843 16.228
285 H ALA 43 H ALA 43 4.426 -6.030 10.806
286 HA ALA 43 HA ALA 43 4.871 -8.828 10.881
287 HB1 ALA 43 1HB ALA 43 2.947 -8.947 9.393
288 HB2 ALA 43 2HB ALA 43 2.633 -7.707 10.621
289 HB3 ALA 43 3HB ALA 43 3.089 -7.247 8.969
290 H LEU 44 H LEU 44 5.201 -6.435 8.245
291 HA LEU 44 HA LEU 44 6.288 -8.507 6.472
292 HB3 LEU 44 2HB LEU 44 6.009 -6.938 4.735
293 HG LEU 44 HG LEU 44 3.622 -6.469 6.527
294 HD11 LEU 44 1HD1 LEU 44 2.465 -5.975 4.534
295 HD12 LEU 44 2HD1 LEU 44 3.726 -6.674 3.510
296 HD13 LEU 44 3HD1 LEU 44 4.027 -5.152 4.327
297 HD21 LEU 44 3HD2 LEU 44 4.018 -8.909 6.384
298 HD22 LEU 44 1HD2 LEU 44 4.109 -8.796 4.605
299 HD23 LEU 44 2HD2 LEU 44 2.602 -8.430 5.467
300 H LYS 45 H LYS 45 7.766 -6.400 8.619
301 HA LYS 45 HA LYS 45 9.820 -5.582 8.945
302 HB3 LYS 45 2HB LYS 45 10.985 -7.195 6.654
303 HG3 LYS 45 2HG LYS 45 12.473 -5.667 7.996
304 HD3 LYS 45 2HD LYS 45 11.972 -7.673 10.262
305 HE3 LYS 45 2HE LYS 45 13.476 -6.001 11.502
306 HZ1 LYS 45 3HZ LYS 45 14.770 -7.461 9.260
307 HZ2 LYS 45 1HZ LYS 45 14.445 -8.063 10.752
308 HZ3 LYS 45 2HZ LYS 45 15.532 -6.846 10.571
309 H LEU 46 H LEU 46 8.146 -4.013 7.776
310 HA LEU 46 HA LEU 46 9.827 -2.418 5.926
311 HB3 LEU 46 2HB LEU 46 7.521 -1.146 5.652
312 HG LEU 46 HG LEU 46 7.979 -3.866 4.396
313 HD11 LEU 46 1HD1 LEU 46 5.631 -3.226 4.213
314 HD12 LEU 46 2HD1 LEU 46 6.400 -3.138 2.645
315 HD13 LEU 46 3HD1 LEU 46 6.061 -1.643 3.564
316 HD21 LEU 46 3HD2 LEU 46 9.792 -2.287 3.801
317 HD22 LEU 46 1HD2 LEU 46 8.595 -1.078 3.324
318 HD23 LEU 46 2HD2 LEU 46 8.748 -2.574 2.402
319 H SER 47 H SER 47 8.923 -0.025 6.480
320 HA SER 47 HA SER 47 9.020 0.353 9.437
321 HB3 SER 47 2HB SER 47 10.310 2.408 9.075
322 HG SER 47 HG SER 47 12.019 0.949 7.674
323 H GLU 48 H GLU 48 7.917 2.328 10.080
324 HA GLU 48 HA GLU 48 5.352 2.506 9.089
325 HB3 GLU 48 2HB GLU 48 5.261 4.644 10.384
326 HG3 GLU 48 2HG GLU 48 6.875 2.617 11.955
327 H VAL 49 H VAL 49 8.180 4.291 7.977
328 HA VAL 49 HA VAL 49 6.714 6.406 6.639
329 HB VAL 49 HB VAL 49 9.615 5.483 6.705
330 HG11 VAL 49 1HG1 VAL 49 9.333 6.258 4.416
331 HG12 VAL 49 2HG1 VAL 49 8.432 7.691 4.956
332 HG13 VAL 49 3HG1 VAL 49 10.166 7.499 5.350
333 HG21 VAL 49 3HG2 VAL 49 9.903 7.735 7.707
334 HG22 VAL 49 1HG2 VAL 49 8.179 8.079 7.459
335 HG23 VAL 49 2HG2 VAL 49 8.688 6.819 8.615
336 H GLN 50 H GLN 50 8.339 3.333 5.603
337 HA GLN 50 HA GLN 50 7.652 3.610 2.854
338 HB3 GLN 50 2HB GLN 50 7.915 1.079 2.876
339 HG3 GLN 50 2HG GLN 50 10.319 1.145 3.945
340 HE21 GLN 50 1HE2 GLN 50 9.065 3.688 1.541
341 HE22 GLN 50 2HE2 GLN 50 9.898 2.895 0.227
342 H VAL 51 H VAL 51 5.892 2.194 5.647
343 HA VAL 51 HA VAL 51 3.734 1.197 3.999
344 HB VAL 51 HB VAL 51 3.766 1.851 6.980
345 HG11 VAL 51 1HG1 VAL 51 1.434 1.655 6.099
346 HG12 VAL 51 2HG1 VAL 51 1.853 0.090 5.380
347 HG13 VAL 51 3HG1 VAL 51 1.860 0.273 7.135
348 HG21 VAL 51 3HG2 VAL 51 5.445 0.126 6.428
349 HG22 VAL 51 1HG2 VAL 51 4.058 -0.639 7.214
350 HG23 VAL 51 2HG2 VAL 51 4.260 -0.760 5.466
351 H LYS 52 H LYS 52 4.129 4.202 5.952
352 HA LYS 52 HA LYS 52 1.640 5.373 5.366
353 HB3 LYS 52 2HB LYS 52 4.362 6.662 5.852
354 HG3 LYS 52 2HG LYS 52 1.566 7.867 6.160
355 HD3 LYS 52 2HD LYS 52 3.523 8.437 7.853
356 HE3 LYS 52 2HE LYS 52 4.194 10.137 5.402
357 HZ1 LYS 52 3HZ LYS 52 4.821 11.145 7.527
358 HZ2 LYS 52 1HZ LYS 52 6.200 10.626 6.777
359 HZ3 LYS 52 2HZ LYS 52 5.573 9.756 8.008
360 H ILE 53 H ILE 53 4.755 5.729 3.547
361 HA ILE 53 HA ILE 53 3.680 7.555 1.644
362 HB ILE 53 HB ILE 53 6.120 5.730 1.626
363 HG13 ILE 53 2HG1 ILE 53 6.094 7.582 3.331
364 HG21 ILE 53 1HG2 ILE 53 5.451 7.929 -0.389
365 HG22 ILE 53 2HG2 ILE 53 6.958 6.989 -0.317
366 HG23 ILE 53 3HG2 ILE 53 5.476 6.181 -0.736
367 HD11 ILE 53 3HD1 ILE 53 8.082 8.759 2.789
368 HD12 ILE 53 1HD1 ILE 53 8.271 7.085 2.224
369 HD13 ILE 53 2HD1 ILE 53 7.949 8.410 1.074
370 H TRP 54 H TRP 54 3.935 3.972 1.630
371 HA TRP 54 HA TRP 54 2.962 3.634 -1.016
372 HB3 TRP 54 2HB TRP 54 2.361 1.681 1.223
373 HD1 TRP 54 HD TRP 54 4.521 0.735 -1.712
374 HE1 TRP 54 1HE TRP 54 3.260 -0.899 -3.186
375 HE3 TRP 54 3HE TRP 54 -0.137 1.221 0.358
376 HZ2 TRP 54 2HZ TRP 54 0.535 -2.037 -3.337
377 HZ3 TRP 54 3HZ TRP 54 -2.010 -0.062 -0.522
378 HH2 TRP 54 HH TRP 54 -1.684 -1.718 -2.340
379 H PHE 55 H PHE 55 1.154 3.489 2.100
380 HA PHE 55 HA PHE 55 -1.445 3.208 0.999
381 HB3 PHE 55 2HB PHE 55 -2.069 4.364 3.280
382 HD1 PHE 55 2HD PHE 55 0.522 1.560 3.072
383 HD2 PHE 55 1HD PHE 55 -3.517 2.736 4.080
384 HE1 PHE 55 2HE PHE 55 0.063 -0.707 3.921
385 HE2 PHE 55 1HE PHE 55 -3.969 0.434 4.865
386 HZ PHE 55 HZ PHE 55 -2.158 -1.277 4.839
387 H GLN 56 H GLN 56 0.433 6.152 1.820
388 HA GLN 56 HA GLN 56 -1.506 8.131 1.236
389 HB3 GLN 56 2HB GLN 56 0.721 9.346 0.421
390 HG3 GLN 56 2HG GLN 56 1.206 8.829 3.276
391 HE21 GLN 56 1HE2 GLN 56 2.860 10.365 2.903
392 HE22 GLN 56 2HE2 GLN 56 2.495 12.035 2.575
393 H ASN 57 H ASN 57 0.851 6.451 -0.942
394 HA ASN 57 HA ASN 57 0.126 8.035 -3.239
395 HB3 ASN 57 2HB ASN 57 1.272 5.796 -4.269
396 HD21 ASN 57 1HD2 ASN 57 3.619 7.106 -2.104
397 HD22 ASN 57 2HD2 ASN 57 4.289 8.224 -3.290
398 H ARG 58 H ARG 58 -0.933 4.910 -1.910
399 HA ARG 58 HA ARG 58 -2.680 4.187 -4.053
400 HB3 ARG 58 2HB ARG 58 -3.637 3.397 -1.375
401 HG3 ARG 58 2HG ARG 58 -3.985 2.111 -3.546
402 HD3 ARG 58 2HD ARG 58 -1.048 1.448 -3.044
403 HE ARG 58 HE ARG 58 -2.923 -0.212 -4.278
404 HH11 ARG 58 1HH1 ARG 58 0.312 1.145 -4.765
405 HH12 ARG 58 2HH1 ARG 58 0.736 0.164 -6.116
406 HH21 ARG 58 1HH2 ARG 58 -2.314 -1.751 -5.940
407 HH22 ARG 58 2HH2 ARG 58 -0.759 -1.716 -6.653
408 H ARG 59 H ARG 59 -3.427 5.933 -0.973
409 HA ARG 59 HA ARG 59 -6.107 6.537 -1.726
410 HB3 ARG 59 2HB ARG 59 -5.953 8.414 -0.098
411 HG3 ARG 59 2HG ARG 59 -4.723 5.987 1.237
412 HD3 ARG 59 2HD ARG 59 -6.815 6.335 2.676
413 HE ARG 59 HE ARG 59 -5.313 8.852 2.847
414 HH11 ARG 59 1HH1 ARG 59 -5.533 5.442 3.915
415 HH12 ARG 59 2HH1 ARG 59 -4.400 5.649 5.205
416 HH21 ARG 59 1HH2 ARG 59 -3.996 9.163 4.598
417 HH22 ARG 59 2HH2 ARG 59 -3.512 7.855 5.637
418 H ALA 60 H ALA 60 -3.070 8.283 -2.480
419 HA ALA 60 HA ALA 60 -4.261 10.627 -3.379
420 HB1 ALA 60 1HB ALA 60 -1.657 9.361 -4.340
421 HB2 ALA 60 2HB ALA 60 -2.139 11.047 -4.564
422 HB3 ALA 60 3HB ALA 60 -1.849 10.432 -2.931
423 H LYS 61 H LYS 61 -3.095 7.915 -5.436
424 HA LYS 61 HA LYS 61 -4.401 8.776 -7.826
425 HB3 LYS 61 2HB LYS 61 -4.327 6.119 -8.225
426 HG3 LYS 61 2HG LYS 61 -1.951 7.988 -8.055
427 HD3 LYS 61 2HD LYS 61 -1.177 5.623 -8.103
428 HE3 LYS 61 2HE LYS 61 -2.457 5.581 -10.885
429 HZ1 LYS 61 3HZ LYS 61 -1.009 3.483 -9.383
430 HZ2 LYS 61 1HZ LYS 61 -0.411 4.301 -10.698
431 HZ3 LYS 61 2HZ LYS 61 -1.693 3.291 -10.862
432 H TRP 62 H TRP 62 -5.598 6.646 -5.156
433 HA TRP 62 HA TRP 62 -7.980 5.870 -6.425
434 HB3 TRP 62 2HB TRP 62 -7.522 6.401 -3.479
435 HD1 TRP 62 HD TRP 62 -9.530 3.700 -5.437
436 HE1 TRP 62 1HE TRP 62 -11.858 3.498 -4.406
437 HE3 TRP 62 3HE TRP 62 -9.248 7.500 -2.062
438 HZ2 TRP 62 2HZ TRP 62 -13.163 4.433 -1.979
439 HZ3 TRP 62 3HZ TRP 62 -11.072 7.848 -0.369
440 HH2 TRP 62 HH TRP 62 -12.996 6.257 -0.281
441 H LYS 63 H LYS 63 -7.360 8.888 -4.525
442 HA LYS 63 HA LYS 63 -10.077 9.802 -4.720
443 HB3 LYS 63 2HB LYS 63 -9.036 12.085 -4.275
444 HG3 LYS 63 2HG LYS 63 -7.548 11.158 -2.213
445 HD3 LYS 63 2HD LYS 63 -9.589 12.449 -1.896
446 HE3 LYS 63 2HE LYS 63 -11.051 9.792 -2.270
447 HZ1 LYS 63 3HZ LYS 63 -11.969 11.189 -0.496
448 HZ2 LYS 63 1HZ LYS 63 -12.992 11.114 -1.799
449 HZ3 LYS 63 2HZ LYS 63 -12.087 12.454 -1.559
450 H ARG 64 H ARG 64 -7.347 10.044 -7.094
451 HA ARG 64 HA ARG 64 -8.995 11.843 -8.756
452 HB3 ARG 64 2HB ARG 64 -7.196 11.713 -10.403
453 HG3 ARG 64 2HG ARG 64 -5.554 12.041 -7.910
454 HD3 ARG 64 2HD ARG 64 -5.923 13.964 -10.227
455 HE ARG 64 HE ARG 64 -3.640 13.361 -8.413
456 HH11 ARG 64 1HH1 ARG 64 -4.962 15.490 -10.984
457 HH12 ARG 64 2HH1 ARG 64 -3.568 16.487 -11.050
458 HH21 ARG 64 1HH2 ARG 64 -1.771 14.757 -8.534
459 HH22 ARG 64 2HH2 ARG 64 -1.790 16.087 -9.623
460 H ILE 65 H ILE 65 -8.781 8.569 -8.277
461 HA ILE 65 HA ILE 65 -9.906 7.778 -10.888
462 HB ILE 65 HB ILE 65 -9.128 6.352 -8.333
463 HG13 ILE 65 2HG1 ILE 65 -7.404 6.974 -9.998
464 HG21 ILE 65 1HG2 ILE 65 -9.951 4.214 -9.238
465 HG22 ILE 65 2HG2 ILE 65 -11.264 5.336 -8.906
466 HG23 ILE 65 3HG2 ILE 65 -10.711 5.084 -10.582
467 HD11 ILE 65 3HD1 ILE 65 -7.805 3.967 -10.044
468 HD12 ILE 65 1HD1 ILE 65 -6.306 4.869 -10.276
469 HD13 ILE 65 2HD1 ILE 65 -7.073 4.882 -8.682
470 H LYS 66 H LYS 66 -11.020 7.895 -7.482
471 HA LYS 66 HA LYS 66 -13.347 6.557 -8.173
472 HB3 LYS 66 2HB LYS 66 -12.308 8.023 -5.741
473 HG3 LYS 66 2HG LYS 66 -15.012 6.748 -6.179
474 HD3 LYS 66 2HD LYS 66 -13.302 7.022 -3.669
475 HE3 LYS 66 2HE LYS 66 -15.551 8.098 -3.277
476 HZ1 LYS 66 3HZ LYS 66 -16.466 5.332 -3.837
477 HZ2 LYS 66 1HZ LYS 66 -17.232 6.784 -4.144
478 HZ3 LYS 66 2HZ LYS 66 -17.142 6.200 -2.634
479 H ALA 67 H ALA 67 -14.802 7.319 -9.360
480 HA ALA 67 HA ALA 67 -15.931 9.723 -9.995
481 HB1 ALA 67 1HB ALA 67 -16.647 7.570 -10.849
482 HB2 ALA 67 2HB ALA 67 -17.120 7.042 -9.222
483 HB3 ALA 67 3HB ALA 67 -18.055 8.306 -10.067
484 H GLY 68 H GLY 68 -15.705 8.596 -6.826
485 HA2 GLY 68 1HA GLY 68 -16.387 9.706 -4.838
486 HA3 GLY 68 2HA GLY 68 -17.309 10.840 -5.823
487 H ASN 69 H ASN 69 -19.393 9.838 -6.872
488 HA ASN 69 HA ASN 69 -20.762 8.088 -4.904
489 HB3 ASN 69 2HB ASN 69 -22.766 9.425 -5.164
490 HD21 ASN 69 1HD2 ASN 69 -21.721 12.482 -5.317
491 HD22 ASN 69 2HD2 ASN 69 -21.187 12.728 -3.669
492 H VAL 70 H VAL 70 -21.436 6.391 -5.994
493 HA VAL 70 HA VAL 70 -22.162 6.562 -8.878
494 HB VAL 70 HB VAL 70 -21.043 4.455 -9.288
495 HG11 VAL 70 1HG1 VAL 70 -19.822 6.568 -9.655
496 HG12 VAL 70 2HG1 VAL 70 -19.119 6.440 -8.023
497 HG13 VAL 70 3HG1 VAL 70 -18.749 5.225 -9.267
498 HG21 VAL 70 3HG2 VAL 70 -19.978 4.614 -6.450
499 HG22 VAL 70 1HG2 VAL 70 -21.126 3.414 -7.067
500 HG23 VAL 70 2HG2 VAL 70 -19.482 3.442 -7.702
501 H SER 71 H SER 71 -23.552 6.265 -6.078
502 HA SER 71 HA SER 71 -25.184 5.127 -5.075
503 HB3 SER 71 2HB SER 71 -26.352 3.574 -7.209
504 HG SER 71 HG SER 71 -28.041 4.731 -6.601
Start of MODEL 12
1 H1 SER 1 H SER 1 0.821 -26.877 -16.839
2 HA SER 1 HA SER 1 0.557 -24.450 -16.722
3 HB3 SER 1 2HB SER 1 2.374 -24.009 -15.130
4 HG SER 1 HG SER 1 1.571 -25.363 -13.750
5 H ALA 2 H ALA 2 0.760 -22.823 -18.254
6 HA ALA 2 HA ALA 2 3.015 -22.646 -20.058
7 HB1 ALA 2 1HB ALA 2 0.848 -20.624 -19.308
8 HB2 ALA 2 2HB ALA 2 1.889 -20.536 -20.726
9 HB3 ALA 2 3HB ALA 2 0.705 -21.849 -20.598
10 HA PRO 3 HA PRO 3 5.559 -19.913 -17.460
11 HB3 PRO 3 2HB PRO 3 7.149 -19.949 -19.146
12 HG3 PRO 3 2HG PRO 3 6.508 -19.808 -21.463
13 HD3 PRO 3 2HD PRO 3 5.382 -21.658 -20.522
14 H GLY 4 H GLY 4 5.885 -17.425 -17.087
15 HA2 GLY 4 1HA GLY 4 4.095 -15.490 -18.088
16 HA3 GLY 4 2HA GLY 4 3.420 -16.142 -16.587
17 H GLY 5 H GLY 5 3.852 -13.712 -16.146
18 HA2 GLY 5 1HA GLY 5 6.429 -12.680 -15.647
19 HA3 GLY 5 2HA GLY 5 4.940 -12.155 -14.844
20 H LYS 6 H LYS 6 7.914 -13.853 -14.487
21 HA LYS 6 HA LYS 6 7.295 -14.484 -11.654
22 HB3 LYS 6 2HB LYS 6 8.793 -16.460 -13.407
23 HG3 LYS 6 2HG LYS 6 6.882 -16.965 -11.116
24 HD3 LYS 6 2HD LYS 6 9.354 -18.516 -11.889
25 HE3 LYS 6 2HE LYS 6 6.733 -19.683 -10.903
26 HZ1 LYS 6 3HZ LYS 6 9.526 -20.342 -10.216
27 HZ2 LYS 6 1HZ LYS 6 8.718 -21.121 -11.418
28 HZ3 LYS 6 2HZ LYS 6 8.185 -21.234 -9.862
29 H SER 7 H SER 7 8.445 -12.291 -11.683
30 HA SER 7 HA SER 7 11.295 -12.680 -11.331
31 HB3 SER 7 2HB SER 7 10.380 -10.468 -13.219
32 HG SER 7 HG SER 7 12.498 -10.313 -13.576
33 H ARG 8 H ARG 8 12.068 -10.114 -10.875
34 HA ARG 8 HA ARG 8 10.027 -8.867 -9.131
35 HB3 ARG 8 2HB ARG 8 11.294 -10.182 -7.538
36 HG3 ARG 8 2HG ARG 8 13.765 -9.083 -8.939
37 HD3 ARG 8 2HD ARG 8 14.048 -8.687 -6.530
38 HE ARG 8 HE ARG 8 13.413 -10.311 -5.063
39 HH11 ARG 8 1HH1 ARG 8 14.674 -12.010 -7.929
40 HH12 ARG 8 2HH1 ARG 8 14.908 -13.505 -7.127
41 HH21 ARG 8 1HH2 ARG 8 13.569 -12.211 -4.029
42 HH22 ARG 8 2HH2 ARG 8 14.286 -13.628 -4.789
43 H ARG 9 H ARG 9 10.090 -6.667 -9.163
44 HA ARG 9 HA ARG 9 12.071 -5.363 -10.835
45 HB3 ARG 9 2HB ARG 9 9.998 -4.119 -8.980
46 HG3 ARG 9 2HG ARG 9 12.008 -2.663 -9.819
47 HD3 ARG 9 2HD ARG 9 11.656 -1.578 -11.960
48 HE ARG 9 HE ARG 9 12.908 -3.906 -12.001
49 HH11 ARG 9 1HH1 ARG 9 10.299 -2.796 -14.203
50 HH12 ARG 9 2HH1 ARG 9 11.023 -3.582 -15.580
51 HH21 ARG 9 1HH2 ARG 9 13.549 -5.268 -13.891
52 HH22 ARG 9 2HH2 ARG 9 12.775 -4.936 -15.384
53 H ARG 10 H ARG 10 11.273 -4.897 -7.328
54 HA ARG 10 HA ARG 10 12.501 -3.886 -5.706
55 HB3 ARG 10 2HB ARG 10 14.716 -5.820 -6.457
56 HG3 ARG 10 2HG ARG 10 13.879 -5.754 -3.675
57 HD3 ARG 10 2HD ARG 10 16.162 -6.411 -4.427
58 HE ARG 10 HE ARG 10 16.653 -4.612 -5.981
59 HH11 ARG 10 1HH1 ARG 10 17.092 -3.662 -2.564
60 HH12 ARG 10 2HH1 ARG 10 17.752 -2.117 -2.994
61 HH21 ARG 10 1HH2 ARG 10 17.751 -2.719 -6.482
62 HH22 ARG 10 2HH2 ARG 10 18.464 -1.767 -5.213
63 H ARG 11 H ARG 11 12.426 -2.036 -7.446
64 HA ARG 11 HA ARG 11 15.181 -0.975 -7.621
65 HB3 ARG 11 2HB ARG 11 13.523 -0.959 -10.154
66 HG3 ARG 11 2HG ARG 11 16.537 -1.060 -9.627
67 HD3 ARG 11 2HD ARG 11 14.823 -1.104 -12.070
68 HE ARG 11 HE ARG 11 15.567 1.097 -12.329
69 HH11 ARG 11 1HH1 ARG 11 18.356 -1.132 -12.153
70 HH12 ARG 11 2HH1 ARG 11 19.390 -0.085 -13.068
71 HH21 ARG 11 1HH2 ARG 11 17.000 2.565 -13.204
72 HH22 ARG 11 2HH2 ARG 11 18.644 2.166 -13.549
73 H THR 12 H THR 12 13.098 -0.181 -5.899
74 HA THR 12 HA THR 12 12.705 2.556 -6.618
75 HB THR 12 HB THR 12 10.080 1.228 -6.046
76 HG1 THR 12 1HG THR 12 11.141 1.214 -8.664
77 HG21 THR 12 3HG2 THR 12 10.282 3.693 -6.368
78 HG22 THR 12 1HG2 THR 12 9.245 2.954 -7.590
79 HG23 THR 12 2HG2 THR 12 10.906 3.412 -8.010
80 H ALA 13 H ALA 13 11.165 3.457 -4.601
81 HA ALA 13 HA ALA 13 12.265 2.796 -2.119
82 HB1 ALA 13 1HB ALA 13 10.978 4.813 -2.455
83 HB2 ALA 13 2HB ALA 13 9.513 3.886 -2.836
84 HB3 ALA 13 3HB ALA 13 10.185 3.859 -1.195
85 H PHE 14 H PHE 14 9.997 0.875 -3.965
86 HA PHE 14 HA PHE 14 9.613 -0.985 -1.700
87 HB3 PHE 14 2HB PHE 14 7.256 -1.245 -2.456
88 HD1 PHE 14 1HD PHE 14 7.814 2.369 -2.897
89 HD2 PHE 14 2HD PHE 14 7.178 -0.742 -0.024
90 HE1 PHE 14 1HE PHE 14 7.172 4.094 -1.187
91 HE2 PHE 14 2HE PHE 14 6.409 0.949 1.639
92 HZ PHE 14 HZ PHE 14 6.484 3.380 1.055
93 H THR 15 H THR 15 8.590 -3.155 -2.712
94 HA THR 15 HA THR 15 10.121 -3.762 -5.183
95 HB THR 15 HB THR 15 10.667 -5.864 -4.309
96 HG1 THR 15 1HG THR 15 9.734 -5.834 -1.810
97 HG21 THR 15 3HG2 THR 15 11.013 -4.008 -1.897
98 HG22 THR 15 1HG2 THR 15 12.060 -4.033 -3.324
99 HG23 THR 15 2HG2 THR 15 11.947 -5.459 -2.268
100 H SER 16 H SER 16 9.105 -5.838 -6.321
101 HA SER 16 HA SER 16 6.396 -5.369 -6.866
102 HB3 SER 16 2HB SER 16 6.590 -7.357 -8.208
103 HG SER 16 HG SER 16 7.839 -5.991 -9.235
104 H GLU 17 H GLU 17 7.899 -7.234 -4.282
105 HA GLU 17 HA GLU 17 5.613 -8.871 -3.617
106 HB3 GLU 17 2HB GLU 17 8.177 -8.124 -2.142
107 HG3 GLU 17 2HG GLU 17 6.566 -10.711 -2.014
108 H GLN 18 H GLN 18 7.391 -6.134 -2.123
109 HA GLN 18 HA GLN 18 5.397 -5.739 -0.118
110 HB3 GLN 18 2HB GLN 18 6.819 -3.527 0.144
111 HG3 GLN 18 2HG GLN 18 7.401 -6.373 0.770
112 HE21 GLN 18 1HE2 GLN 18 9.254 -4.934 2.884
113 HE22 GLN 18 2HE2 GLN 18 10.822 -5.041 2.138
114 H LEU 19 H LEU 19 5.501 -4.539 -3.421
115 HA LEU 19 HA LEU 19 3.453 -2.492 -2.917
116 HB3 LEU 19 2HB LEU 19 3.293 -2.781 -5.536
117 HG LEU 19 HG LEU 19 5.825 -1.848 -4.137
118 HD11 LEU 19 1HD1 LEU 19 5.073 -1.428 -7.046
119 HD12 LEU 19 2HD1 LEU 19 6.351 -2.521 -6.457
120 HD13 LEU 19 3HD1 LEU 19 6.495 -0.773 -6.185
121 HD21 LEU 19 3HD2 LEU 19 3.453 -0.385 -5.371
122 HD22 LEU 19 1HD2 LEU 19 4.915 0.388 -4.713
123 HD23 LEU 19 2HD2 LEU 19 3.839 -0.513 -3.643
124 H LEU 20 H LEU 20 3.566 -5.853 -4.145
125 HA LEU 20 HA LEU 20 0.839 -6.102 -4.921
126 HB3 LEU 20 2HB LEU 20 2.861 -8.110 -3.828
127 HG LEU 20 HG LEU 20 0.355 -8.886 -3.885
128 HD11 LEU 20 1HD1 LEU 20 -0.214 -7.960 -6.091
129 HD12 LEU 20 2HD1 LEU 20 -0.320 -9.729 -6.150
130 HD13 LEU 20 3HD1 LEU 20 1.084 -8.912 -6.846
131 HD21 LEU 20 3HD2 LEU 20 1.090 -11.110 -4.701
132 HD22 LEU 20 1HD2 LEU 20 2.183 -10.374 -3.509
133 HD23 LEU 20 2HD2 LEU 20 2.623 -10.375 -5.230
134 H GLU 21 H GLU 21 2.531 -6.697 -1.850
135 HA GLU 21 HA GLU 21 0.279 -7.686 -0.423
136 HB3 GLU 21 2HB GLU 21 1.816 -7.169 1.551
137 HG3 GLU 21 2HG GLU 21 3.751 -8.637 0.665
138 H LEU 22 H LEU 22 1.066 -4.415 -1.252
139 HA LEU 22 HA LEU 22 -0.141 -3.261 1.171
140 HB3 LEU 22 2HB LEU 22 0.417 -1.294 -0.863
141 HG LEU 22 HG LEU 22 0.760 -0.859 1.527
142 HD11 LEU 22 1HD1 LEU 22 2.895 -3.021 1.390
143 HD12 LEU 22 2HD1 LEU 22 1.521 -2.937 2.471
144 HD13 LEU 22 3HD1 LEU 22 2.823 -1.792 2.687
145 HD21 LEU 22 3HD2 LEU 22 1.994 0.508 0.075
146 HD22 LEU 22 1HD2 LEU 22 3.176 -0.727 -0.295
147 HD23 LEU 22 2HD2 LEU 22 3.166 0.054 1.315
148 H GLU 23 H GLU 23 -0.884 -3.413 -2.322
149 HA GLU 23 HA GLU 23 -3.486 -2.188 -2.001
150 HB3 GLU 23 2HB GLU 23 -2.626 -2.125 -4.165
151 HG3 GLU 23 2HG GLU 23 -2.135 -5.100 -3.959
152 H LYS 24 H LYS 24 -2.202 -5.405 -1.483
153 HA LYS 24 HA LYS 24 -4.581 -6.879 -1.481
154 HB3 LYS 24 2HB LYS 24 -2.427 -7.513 0.550
155 HG3 LYS 24 2HG LYS 24 -4.356 -8.996 -1.114
156 HD3 LYS 24 2HD LYS 24 -2.918 -10.963 -1.461
157 HE3 LYS 24 2HE LYS 24 -1.733 -8.576 -2.941
158 HZ1 LYS 24 3HZ LYS 24 -2.480 -11.236 -4.014
159 HZ2 LYS 24 1HZ LYS 24 -0.968 -10.923 -3.485
160 HZ3 LYS 24 2HZ LYS 24 -1.651 -10.075 -4.745
161 H GLU 25 H GLU 25 -3.327 -4.745 1.062
162 HA GLU 25 HA GLU 25 -5.499 -5.449 2.939
163 HB3 GLU 25 2HB GLU 25 -4.548 -3.252 4.051
164 HG3 GLU 25 2HG GLU 25 -2.576 -4.474 4.926
165 H PHE 26 H PHE 26 -4.667 -2.751 0.723
166 HA PHE 26 HA PHE 26 -6.896 -1.147 1.601
167 HB3 PHE 26 2HB PHE 26 -5.415 -0.867 -1.039
168 HD1 PHE 26 2HD PHE 26 -6.445 1.180 1.970
169 HD2 PHE 26 1HD PHE 26 -6.623 0.755 -2.321
170 HE1 PHE 26 2HE PHE 26 -7.662 3.330 1.803
171 HE2 PHE 26 1HE PHE 26 -7.858 2.892 -2.467
172 HZ PHE 26 HZ PHE 26 -8.376 4.192 -0.434
173 H HIS 27 H HIS 27 -6.695 -3.761 -0.581
174 HA HIS 27 HA HIS 27 -8.992 -3.627 -2.145
175 HB3 HIS 27 2HB HIS 27 -8.639 -6.204 -0.800
176 HD1 HIS 27 1HD HIS 27 -6.579 -5.497 -3.948
177 HD2 HIS 27 2HD HIS 27 -10.410 -6.856 -2.759
178 HE1 HIS 27 1HE HIS 27 -7.651 -6.574 -5.990
179 H CYS 28 H CYS 28 -8.804 -3.771 1.385
180 HA CYS 28 HA CYS 28 -11.662 -3.165 1.248
181 HB3 CYS 28 2HB CYS 28 -10.823 -4.971 3.509
182 HG CYS 28 HG CYS 28 -13.201 -5.499 3.874
183 H LYS 29 H LYS 29 -8.771 -3.292 3.495
184 HA LYS 29 HA LYS 29 -10.019 -1.571 5.383
185 HB3 LYS 29 2HB LYS 29 -7.801 -1.372 6.411
186 HG3 LYS 29 2HG LYS 29 -8.010 -4.264 5.552
187 HD3 LYS 29 2HD LYS 29 -7.665 -2.947 8.290
188 HE3 LYS 29 2HE LYS 29 -8.142 -5.662 7.427
189 HZ1 LYS 29 3HZ LYS 29 -5.762 -5.731 7.239
190 HZ2 LYS 29 1HZ LYS 29 -6.253 -6.722 8.446
191 HZ3 LYS 29 2HZ LYS 29 -5.538 -5.271 8.802
192 H LYS 30 H LYS 30 -10.710 0.399 4.780
193 HA LYS 30 HA LYS 30 -9.156 2.044 2.939
194 HB3 LYS 30 2HB LYS 30 -10.957 3.741 3.307
195 HG3 LYS 30 2HG LYS 30 -12.868 2.489 2.434
196 HD3 LYS 30 2HD LYS 30 -10.232 1.493 1.221
197 HE3 LYS 30 2HE LYS 30 -11.695 1.370 -0.855
198 HZ1 LYS 30 3HZ LYS 30 -10.957 -0.628 0.373
199 HZ2 LYS 30 1HZ LYS 30 -12.371 -0.825 -0.419
200 HZ3 LYS 30 2HZ LYS 30 -12.398 -0.618 1.204
201 H TYR 31 H TYR 31 -8.984 1.653 6.377
202 HA TYR 31 HA TYR 31 -6.788 3.474 6.324
203 HB3 TYR 31 2HB TYR 31 -8.187 5.221 6.935
204 HD1 TYR 31 1HD TYR 31 -10.542 4.630 6.309
205 HD2 TYR 31 2HD TYR 31 -8.994 4.040 10.295
206 HE1 TYR 31 1HE TYR 31 -12.823 4.737 7.193
207 HE2 TYR 31 2HE TYR 31 -11.279 4.172 11.201
208 HH TYR 31 HH TYR 31 -13.497 4.903 10.686
209 H LEU 32 H LEU 32 -5.715 3.369 8.641
210 HA LEU 32 HA LEU 32 -6.125 0.725 9.874
211 HB3 LEU 32 2HB LEU 32 -3.691 0.354 9.956
212 HG LEU 32 HG LEU 32 -4.501 0.771 7.052
213 HD11 LEU 32 1HD1 LEU 32 -2.224 -0.818 8.274
214 HD12 LEU 32 2HD1 LEU 32 -2.042 0.704 7.377
215 HD13 LEU 32 3HD1 LEU 32 -2.632 -0.756 6.559
216 HD21 LEU 32 3HD2 LEU 32 -4.904 -1.635 6.985
217 HD22 LEU 32 1HD2 LEU 32 -5.940 -0.914 8.225
218 HD23 LEU 32 2HD2 LEU 32 -4.481 -1.800 8.698
219 H SER 33 H SER 33 -5.609 0.694 12.003
220 HA SER 33 HA SER 33 -5.303 3.228 13.395
221 HB3 SER 33 2HB SER 33 -6.796 1.356 14.032
222 HG SER 33 HG SER 33 -6.024 -0.440 14.862
223 H LEU 34 H LEU 34 -3.656 3.063 15.380
224 HA LEU 34 HA LEU 34 -0.990 3.123 14.389
225 HB3 LEU 34 2HB LEU 34 -0.581 2.804 17.030
226 HG LEU 34 HG LEU 34 -1.730 5.249 15.651
227 HD11 LEU 34 1HD1 LEU 34 -1.209 6.535 17.734
228 HD12 LEU 34 2HD1 LEU 34 -0.924 4.993 18.579
229 HD13 LEU 34 3HD1 LEU 34 -2.531 5.378 17.959
230 HD21 LEU 34 3HD2 LEU 34 0.652 4.531 15.211
231 HD22 LEU 34 1HD2 LEU 34 0.987 4.704 16.925
232 HD23 LEU 34 2HD2 LEU 34 0.534 6.133 15.977
233 H THR 35 H THR 35 -2.699 0.651 16.281
234 HA THR 35 HA THR 35 -0.506 -1.152 16.308
235 HB THR 35 HB THR 35 -2.529 -1.070 17.848
236 HG1 THR 35 1HG THR 35 -2.243 -3.171 18.389
237 HG21 THR 35 3HG2 THR 35 -3.734 -3.065 15.884
238 HG22 THR 35 1HG2 THR 35 -4.382 -1.436 16.266
239 HG23 THR 35 2HG2 THR 35 -4.315 -2.675 17.509
240 H GLU 36 H GLU 36 -3.449 -1.113 14.185
241 HA GLU 36 HA GLU 36 -2.831 -3.416 12.707
242 HB3 GLU 36 2HB GLU 36 -4.244 -2.293 10.907
243 HG3 GLU 36 2HG GLU 36 -5.273 -2.423 13.761
244 H ARG 37 H ARG 37 -1.788 -0.019 12.172
245 HA ARG 37 HA ARG 37 -0.523 -0.572 9.645
246 HB3 ARG 37 2HB ARG 37 -0.180 1.683 11.658
247 HG3 ARG 37 2HG ARG 37 0.758 1.365 8.784
248 HD3 ARG 37 2HD ARG 37 -0.080 3.490 8.601
249 HE ARG 37 HE ARG 37 -0.656 4.805 10.351
250 HH11 ARG 37 1HH1 ARG 37 2.126 2.926 11.385
251 HH12 ARG 37 2HH1 ARG 37 2.367 3.704 12.886
252 HH21 ARG 37 1HH2 ARG 37 -0.318 6.000 12.306
253 HH22 ARG 37 2HH2 ARG 37 0.938 5.485 13.422
254 H SER 38 H SER 38 0.681 -0.656 13.059
255 HA SER 38 HA SER 38 3.412 -1.426 12.322
256 HB3 SER 38 2HB SER 38 2.301 -2.552 14.785
257 HG SER 38 HG SER 38 4.057 -0.322 14.568
258 H GLN 39 H GLN 39 0.387 -3.274 12.677
259 HA GLN 39 HA GLN 39 1.917 -5.630 12.520
260 HB3 GLN 39 2HB GLN 39 -0.138 -6.769 12.077
261 HG3 GLN 39 2HG GLN 39 -1.066 -4.780 14.122
262 HE21 GLN 39 1HE2 GLN 39 -2.526 -7.108 13.131
263 HE22 GLN 39 2HE2 GLN 39 -2.588 -8.205 14.483
264 H ILE 40 H ILE 40 0.370 -3.691 10.081
265 HA ILE 40 HA ILE 40 1.238 -5.247 7.782
266 HB ILE 40 HB ILE 40 0.952 -2.222 7.912
267 HG13 ILE 40 2HG1 ILE 40 -1.212 -2.776 6.653
268 HG21 ILE 40 1HG2 ILE 40 0.636 -2.450 5.404
269 HG22 ILE 40 2HG2 ILE 40 2.273 -2.858 5.960
270 HG23 ILE 40 3HG2 ILE 40 1.156 -4.147 5.569
271 HD11 ILE 40 3HD1 ILE 40 -1.103 -5.357 8.238
272 HD12 ILE 40 1HD1 ILE 40 -2.444 -4.706 7.291
273 HD13 ILE 40 2HD1 ILE 40 -0.967 -5.248 6.468
274 H ALA 41 H ALA 41 2.944 -2.605 9.519
275 HA ALA 41 HA ALA 41 5.147 -2.461 7.737
276 HB1 ALA 41 1HB ALA 41 4.609 -1.433 10.451
277 HB2 ALA 41 2HB ALA 41 6.307 -1.827 10.172
278 HB3 ALA 41 3HB ALA 41 5.515 -0.700 9.096
279 H HIS 42 H HIS 42 4.858 -4.235 10.815
280 HA HIS 42 HA HIS 42 7.451 -5.257 10.756
281 HB3 HIS 42 2HB HIS 42 5.432 -5.208 12.578
282 HD1 HIS 42 1HD HIS 42 5.999 -8.615 13.654
283 HD2 HIS 42 2HD HIS 42 3.516 -6.045 11.563
284 HE1 HIS 42 1HE HIS 42 3.728 -9.710 13.774
285 H ALA 43 H ALA 43 4.400 -6.635 9.543
286 HA ALA 43 HA ALA 43 5.295 -9.192 8.808
287 HB1 ALA 43 1HB ALA 43 3.302 -9.221 7.366
288 HB2 ALA 43 2HB ALA 43 2.921 -8.457 8.925
289 HB3 ALA 43 3HB ALA 43 3.168 -7.448 7.488
290 H LEU 44 H LEU 44 5.769 -6.123 7.185
291 HA LEU 44 HA LEU 44 6.815 -7.507 4.757
292 HB3 LEU 44 2HB LEU 44 6.161 -5.369 3.627
293 HG LEU 44 HG LEU 44 3.847 -6.691 5.073
294 HD11 LEU 44 1HD1 LEU 44 3.321 -4.456 4.122
295 HD12 LEU 44 2HD1 LEU 44 2.472 -5.750 3.291
296 HD13 LEU 44 3HD1 LEU 44 3.894 -5.003 2.526
297 HD21 LEU 44 3HD2 LEU 44 3.585 -7.969 2.970
298 HD22 LEU 44 1HD2 LEU 44 5.113 -8.341 3.733
299 HD23 LEU 44 2HD2 LEU 44 5.077 -7.255 2.319
300 H LYS 45 H LYS 45 8.260 -6.553 7.398
301 HA LYS 45 HA LYS 45 10.138 -5.556 8.009
302 HB3 LYS 45 2HB LYS 45 11.191 -7.161 6.537
303 HG3 LYS 45 2HG LYS 45 11.361 -4.970 4.455
304 HD3 LYS 45 2HD LYS 45 13.440 -6.552 4.931
305 HE3 LYS 45 2HE LYS 45 12.016 -8.676 4.764
306 HZ1 LYS 45 3HZ LYS 45 10.686 -8.289 2.810
307 HZ2 LYS 45 1HZ LYS 45 11.740 -9.476 2.487
308 HZ3 LYS 45 2HZ LYS 45 12.029 -8.001 1.865
309 H LEU 46 H LEU 46 7.962 -3.840 6.851
310 HA LEU 46 HA LEU 46 9.391 -1.581 5.602
311 HB3 LEU 46 2HB LEU 46 7.003 -0.620 5.515
312 HG LEU 46 HG LEU 46 7.495 -3.273 4.181
313 HD11 LEU 46 1HD1 LEU 46 5.585 -2.968 2.872
314 HD12 LEU 46 2HD1 LEU 46 5.387 -1.271 3.376
315 HD13 LEU 46 3HD1 LEU 46 5.030 -2.608 4.492
316 HD21 LEU 46 3HD2 LEU 46 7.810 -1.907 2.148
317 HD22 LEU 46 1HD2 LEU 46 9.065 -1.674 3.380
318 HD23 LEU 46 2HD2 LEU 46 7.773 -0.446 3.155
319 H SER 47 H SER 47 8.762 0.491 6.238
320 HA SER 47 HA SER 47 8.946 0.969 9.170
321 HB3 SER 47 2HB SER 47 9.647 3.167 8.576
322 HG SER 47 HG SER 47 11.024 1.119 7.652
323 H GLU 48 H GLU 48 7.379 2.380 10.133
324 HA GLU 48 HA GLU 48 4.700 2.271 9.056
325 HB3 GLU 48 2HB GLU 48 4.187 3.814 10.925
326 HG3 GLU 48 2HG GLU 48 5.968 1.446 11.697
327 H VAL 49 H VAL 49 7.291 4.498 8.519
328 HA VAL 49 HA VAL 49 5.656 6.704 7.490
329 HB VAL 49 HB VAL 49 8.622 6.031 7.437
330 HG11 VAL 49 1HG1 VAL 49 7.214 8.323 5.986
331 HG12 VAL 49 2HG1 VAL 49 8.948 8.294 6.348
332 HG13 VAL 49 3HG1 VAL 49 8.270 7.086 5.262
333 HG21 VAL 49 3HG2 VAL 49 7.603 7.014 9.504
334 HG22 VAL 49 1HG2 VAL 49 8.712 8.157 8.727
335 HG23 VAL 49 2HG2 VAL 49 6.958 8.346 8.513
336 H GLN 50 H GLN 50 7.633 4.039 6.044
337 HA GLN 50 HA GLN 50 7.035 4.645 3.367
338 HB3 GLN 50 2HB GLN 50 7.669 2.230 2.995
339 HG3 GLN 50 2HG GLN 50 9.910 2.253 4.183
340 HE21 GLN 50 1HE2 GLN 50 11.086 2.332 2.225
341 HE22 GLN 50 2HE2 GLN 50 10.913 3.667 1.115
342 H VAL 51 H VAL 51 5.241 2.684 5.767
343 HA VAL 51 HA VAL 51 3.236 1.863 3.789
344 HB VAL 51 HB VAL 51 3.154 1.854 6.819
345 HG11 VAL 51 1HG1 VAL 51 0.868 1.655 5.864
346 HG12 VAL 51 2HG1 VAL 51 1.424 0.324 4.826
347 HG13 VAL 51 3HG1 VAL 51 1.381 0.128 6.585
348 HG21 VAL 51 3HG2 VAL 51 3.929 -0.274 4.770
349 HG22 VAL 51 1HG2 VAL 51 4.977 0.415 6.026
350 HG23 VAL 51 2HG2 VAL 51 3.644 -0.653 6.463
351 H LYS 52 H LYS 52 3.363 4.360 6.396
352 HA LYS 52 HA LYS 52 0.844 5.480 6.150
353 HB3 LYS 52 2HB LYS 52 3.560 6.573 6.863
354 HG3 LYS 52 2HG LYS 52 1.000 8.151 7.035
355 HD3 LYS 52 2HD LYS 52 3.655 8.338 8.535
356 HE3 LYS 52 2HE LYS 52 1.611 10.533 8.013
357 HZ1 LYS 52 3HZ LYS 52 3.241 11.834 9.324
358 HZ2 LYS 52 1HZ LYS 52 3.958 10.484 9.828
359 HZ3 LYS 52 2HZ LYS 52 2.374 10.780 10.268
360 H ILE 53 H ILE 53 3.778 6.412 4.278
361 HA ILE 53 HA ILE 53 2.563 8.427 2.703
362 HB ILE 53 HB ILE 53 5.012 6.635 2.326
363 HG13 ILE 53 2HG1 ILE 53 5.059 8.264 4.258
364 HG21 ILE 53 1HG2 ILE 53 4.153 9.003 0.612
365 HG22 ILE 53 2HG2 ILE 53 5.748 8.225 0.535
366 HG23 ILE 53 3HG2 ILE 53 4.325 7.321 0.078
367 HD11 ILE 53 3HD1 ILE 53 6.927 9.248 2.073
368 HD12 ILE 53 1HD1 ILE 53 7.124 9.365 3.817
369 HD13 ILE 53 2HD1 ILE 53 7.198 7.773 3.034
370 H TRP 54 H TRP 54 3.223 4.927 1.730
371 HA TRP 54 HA TRP 54 1.927 5.285 -0.749
372 HB3 TRP 54 2HB TRP 54 1.915 2.716 0.828
373 HD1 TRP 54 HD TRP 54 3.313 3.177 -2.644
374 HE1 TRP 54 1HE TRP 54 2.159 1.529 -4.162
375 HE3 TRP 54 3HE TRP 54 -0.639 2.046 0.358
376 HZ2 TRP 54 2HZ TRP 54 -0.428 0.055 -4.211
377 HZ3 TRP 54 3HZ TRP 54 -2.414 0.530 -0.428
378 HH2 TRP 54 HH TRP 54 -2.346 -0.413 -2.731
379 H PHE 55 H PHE 55 0.500 4.248 2.400
380 HA PHE 55 HA PHE 55 -2.147 3.892 1.343
381 HB3 PHE 55 2HB PHE 55 -2.724 4.435 3.881
382 HD1 PHE 55 2HD PHE 55 -0.005 1.881 3.288
383 HD2 PHE 55 1HD PHE 55 -4.236 2.603 3.827
384 HE1 PHE 55 2HE PHE 55 -0.422 -0.566 3.523
385 HE2 PHE 55 1HE PHE 55 -4.611 0.129 4.016
386 HZ PHE 55 HZ PHE 55 -2.694 -1.412 3.864
387 H GLN 56 H GLN 56 -0.406 6.761 2.526
388 HA GLN 56 HA GLN 56 -2.642 8.544 2.672
389 HB3 GLN 56 2HB GLN 56 -0.584 10.195 1.948
390 HG3 GLN 56 2HG GLN 56 0.066 9.260 4.626
391 HE21 GLN 56 1HE2 GLN 56 1.341 11.337 3.756
392 HE22 GLN 56 2HE2 GLN 56 0.613 12.824 4.364
393 H ASN 57 H ASN 57 -0.615 7.439 -0.118
394 HA ASN 57 HA ASN 57 -1.765 9.360 -1.937
395 HB3 ASN 57 2HB ASN 57 -0.546 7.770 -3.537
396 HD21 ASN 57 1HD2 ASN 57 2.260 7.475 -2.434
397 HD22 ASN 57 2HD2 ASN 57 2.813 9.110 -2.185
398 H ARG 58 H ARG 58 -2.245 5.845 -1.395
399 HA ARG 58 HA ARG 58 -4.351 5.517 -3.279
400 HB3 ARG 58 2HB ARG 58 -4.800 3.868 -0.942
401 HG3 ARG 58 2HG ARG 58 -5.144 2.992 -3.176
402 HD3 ARG 58 2HD ARG 58 -3.490 3.881 -4.600
403 HE ARG 58 HE ARG 58 -1.535 2.992 -2.563
404 HH11 ARG 58 1HH1 ARG 58 -1.725 3.930 -5.924
405 HH12 ARG 58 2HH1 ARG 58 -0.617 5.277 -5.819
406 HH21 ARG 58 1HH2 ARG 58 0.275 4.419 -2.465
407 HH22 ARG 58 2HH2 ARG 58 0.851 5.245 -3.883
408 H ARG 59 H ARG 59 -4.526 6.389 0.207
409 HA ARG 59 HA ARG 59 -7.380 6.474 0.269
410 HB3 ARG 59 2HB ARG 59 -6.981 7.859 2.401
411 HG3 ARG 59 2HG ARG 59 -5.802 5.111 1.901
412 HD3 ARG 59 2HD ARG 59 -4.557 6.049 3.815
413 HE ARG 59 HE ARG 59 -7.149 6.855 4.789
414 HH11 ARG 59 1HH1 ARG 59 -4.124 5.381 5.952
415 HH12 ARG 59 2HH1 ARG 59 -4.096 6.209 7.446
416 HH21 ARG 59 1HH2 ARG 59 -7.218 7.862 6.887
417 HH22 ARG 59 2HH2 ARG 59 -5.939 7.625 8.027
418 H ALA 60 H ALA 60 -4.962 9.136 -0.296
419 HA ALA 60 HA ALA 60 -6.815 11.234 -0.460
420 HB1 ALA 60 1HB ALA 60 -4.219 10.835 -2.015
421 HB2 ALA 60 2HB ALA 60 -5.115 12.359 -1.860
422 HB3 ALA 60 3HB ALA 60 -4.402 11.617 -0.423
423 H LYS 61 H LYS 61 -5.492 9.346 -3.246
424 HA LYS 61 HA LYS 61 -7.105 10.485 -5.176
425 HB3 LYS 61 2HB LYS 61 -6.144 7.603 -5.233
426 HG3 LYS 61 2HG LYS 61 -6.380 9.747 -7.397
427 HD3 LYS 61 2HD LYS 61 -5.512 6.842 -7.624
428 HE3 LYS 61 2HE LYS 61 -6.651 8.259 -9.581
429 HZ1 LYS 61 3HZ LYS 61 -3.781 8.871 -10.002
430 HZ2 LYS 61 1HZ LYS 61 -4.877 10.011 -9.522
431 HZ3 LYS 61 2HZ LYS 61 -5.060 9.274 -10.956
432 H TRP 62 H TRP 62 -7.975 7.743 -3.044
433 HA TRP 62 HA TRP 62 -10.406 7.068 -4.375
434 HB3 TRP 62 2HB TRP 62 -9.341 6.712 -1.571
435 HD1 TRP 62 HD TRP 62 -12.212 4.957 -3.493
436 HE1 TRP 62 1HE TRP 62 -14.247 4.813 -1.980
437 HE3 TRP 62 3HE TRP 62 -10.357 7.461 0.539
438 HZ2 TRP 62 2HZ TRP 62 -14.786 5.221 0.886
439 HZ3 TRP 62 3HZ TRP 62 -11.702 7.689 2.625
440 HH2 TRP 62 HH TRP 62 -13.921 6.521 2.807
441 H LYS 63 H LYS 63 -9.682 9.714 -2.034
442 HA LYS 63 HA LYS 63 -12.503 10.288 -1.578
443 HB3 LYS 63 2HB LYS 63 -11.775 12.381 -0.611
444 HG3 LYS 63 2HG LYS 63 -9.753 10.278 0.202
445 HD3 LYS 63 2HD LYS 63 -11.365 12.283 1.803
446 HE3 LYS 63 2HE LYS 63 -9.174 10.307 2.593
447 HZ1 LYS 63 3HZ LYS 63 -9.257 12.339 3.940
448 HZ2 LYS 63 1HZ LYS 63 -9.749 11.043 4.812
449 HZ3 LYS 63 2HZ LYS 63 -10.858 12.097 4.238
450 H ARG 64 H ARG 64 -10.161 11.158 -4.055
451 HA ARG 64 HA ARG 64 -11.825 13.183 -5.320
452 HB3 ARG 64 2HB ARG 64 -10.007 12.523 -7.206
453 HG3 ARG 64 2HG ARG 64 -8.241 13.880 -5.859
454 HD3 ARG 64 2HD ARG 64 -9.484 16.022 -6.143
455 HE ARG 64 HE ARG 64 -10.375 14.766 -8.556
456 HH11 ARG 64 1HH1 ARG 64 -7.361 15.807 -6.922
457 HH12 ARG 64 2HH1 ARG 64 -6.374 15.440 -8.295
458 HH21 ARG 64 1HH2 ARG 64 -9.095 14.647 -10.413
459 HH22 ARG 64 2HH2 ARG 64 -7.364 14.861 -10.323
460 H ILE 65 H ILE 65 -12.316 9.949 -4.876
461 HA ILE 65 HA ILE 65 -13.847 9.824 -7.384
462 HB ILE 65 HB ILE 65 -13.115 7.521 -5.532
463 HG13 ILE 65 2HG1 ILE 65 -11.200 8.435 -6.878
464 HG21 ILE 65 1HG2 ILE 65 -14.139 6.126 -7.327
465 HG22 ILE 65 2HG2 ILE 65 -15.308 7.193 -6.577
466 HG23 ILE 65 3HG2 ILE 65 -14.636 7.602 -8.169
467 HD11 ILE 65 3HD1 ILE 65 -12.052 5.800 -8.095
468 HD12 ILE 65 1HD1 ILE 65 -10.421 6.456 -7.901
469 HD13 ILE 65 2HD1 ILE 65 -11.339 5.958 -6.468
470 H LYS 66 H LYS 66 -14.153 8.886 -3.943
471 HA LYS 66 HA LYS 66 -16.933 8.665 -3.993
472 HB3 LYS 66 2HB LYS 66 -15.203 7.882 -2.233
473 HG3 LYS 66 2HG LYS 66 -16.249 10.243 -0.634
474 HD3 LYS 66 2HD LYS 66 -13.642 8.772 -0.523
475 HE3 LYS 66 2HE LYS 66 -13.732 10.773 0.899
476 HZ1 LYS 66 3HZ LYS 66 -16.087 10.883 1.370
477 HZ2 LYS 66 1HZ LYS 66 -15.250 10.899 2.735
478 HZ3 LYS 66 2HZ LYS 66 -16.014 9.513 2.300
479 H ALA 67 H ALA 67 -15.067 11.527 -3.341
480 HA ALA 67 HA ALA 67 -17.483 13.227 -3.002
481 HB1 ALA 67 1HB ALA 67 -14.713 13.574 -1.761
482 HB2 ALA 67 2HB ALA 67 -16.137 14.603 -1.497
483 HB3 ALA 67 3HB ALA 67 -16.134 12.927 -0.913
484 H GLY 68 H GLY 68 -15.281 12.272 -5.100
485 HA2 GLY 68 1HA GLY 68 -14.668 15.000 -6.267
486 HA3 GLY 68 2HA GLY 68 -13.901 13.498 -6.742
487 H ASN 69 H ASN 69 -17.068 15.300 -6.912
488 HA ASN 69 HA ASN 69 -17.216 14.401 -9.674
489 HB3 ASN 69 2HB ASN 69 -19.870 14.370 -9.140
490 HD21 ASN 69 1HD2 ASN 69 -19.135 11.432 -7.700
491 HD22 ASN 69 2HD2 ASN 69 -18.728 10.539 -9.155
492 H VAL 70 H VAL 70 -17.669 16.001 -10.903
493 HA VAL 70 HA VAL 70 -19.289 18.325 -10.088
494 HB VAL 70 HB VAL 70 -17.674 19.820 -11.319
495 HG11 VAL 70 1HG1 VAL 70 -16.519 18.528 -8.816
496 HG12 VAL 70 2HG1 VAL 70 -16.153 20.146 -9.435
497 HG13 VAL 70 3HG1 VAL 70 -17.783 19.772 -8.848
498 HG21 VAL 70 3HG2 VAL 70 -15.652 17.554 -10.957
499 HG22 VAL 70 1HG2 VAL 70 -16.328 18.048 -12.515
500 HG23 VAL 70 2HG2 VAL 70 -15.337 19.175 -11.605
501 H SER 71 H SER 71 -20.514 16.357 -11.276
502 HA SER 71 HA SER 71 -20.145 16.411 -14.201
503 HB3 SER 71 2HB SER 71 -20.325 13.704 -13.064
504 HG SER 71 HG SER 71 -19.551 14.168 -15.114
Start of MODEL 13
1 H1 SER 1 H SER 1 5.014 3.445 -17.692
2 HA SER 1 HA SER 1 6.254 3.934 -15.740
3 HB3 SER 1 2HB SER 1 5.907 6.002 -14.506
4 HG SER 1 HG SER 1 6.365 7.490 -16.368
5 H ALA 2 H ALA 2 5.493 2.443 -14.255
6 HA ALA 2 HA ALA 2 2.985 3.100 -12.862
7 HB1 ALA 2 1HB ALA 2 2.321 1.441 -14.602
8 HB2 ALA 2 2HB ALA 2 3.474 0.289 -13.892
9 HB3 ALA 2 3HB ALA 2 2.112 0.867 -12.933
10 HA PRO 3 HA PRO 3 6.791 2.042 -10.405
11 HB3 PRO 3 2HB PRO 3 7.377 4.243 -10.170
12 HG3 PRO 3 2HG PRO 3 5.786 5.988 -10.273
13 HD3 PRO 3 2HD PRO 3 5.414 4.699 -12.208
14 H GLY 4 H GLY 4 6.582 0.407 -8.957
15 HA2 GLY 4 1HA GLY 4 5.854 -0.590 -6.938
16 HA3 GLY 4 2HA GLY 4 4.431 0.443 -6.907
17 H GLY 5 H GLY 5 5.128 -0.983 -10.025
18 HA2 GLY 5 1HA GLY 5 2.764 -2.495 -10.211
19 HA3 GLY 5 2HA GLY 5 4.214 -2.683 -11.191
20 H LYS 6 H LYS 6 2.408 -4.757 -10.089
21 HA LYS 6 HA LYS 6 3.534 -6.066 -7.738
22 HB3 LYS 6 2HB LYS 6 1.794 -7.818 -8.399
23 HG3 LYS 6 2HG LYS 6 0.964 -4.939 -7.935
24 HD3 LYS 6 2HD LYS 6 -0.794 -7.421 -8.220
25 HE3 LYS 6 2HE LYS 6 -1.124 -4.800 -6.761
26 HZ1 LYS 6 3HZ LYS 6 -3.489 -5.271 -6.727
27 HZ2 LYS 6 1HZ LYS 6 -3.331 -6.416 -7.858
28 HZ3 LYS 6 2HZ LYS 6 -2.960 -4.819 -8.228
29 H SER 7 H SER 7 5.790 -6.079 -8.949
30 HA SER 7 HA SER 7 6.172 -8.656 -10.259
31 HB3 SER 7 2HB SER 7 6.766 -6.250 -11.975
32 HG SER 7 HG SER 7 5.278 -8.109 -13.141
33 H ARG 8 H ARG 8 8.416 -8.167 -11.654
34 HA ARG 8 HA ARG 8 10.600 -7.625 -11.750
35 HB3 ARG 8 2HB ARG 8 10.588 -5.438 -9.751
36 HG3 ARG 8 2HG ARG 8 12.234 -5.655 -11.667
37 HD3 ARG 8 2HD ARG 8 10.533 -4.266 -13.584
38 HE ARG 8 HE ARG 8 11.256 -6.810 -14.542
39 HH11 ARG 8 1HH1 ARG 8 12.828 -3.794 -13.512
40 HH12 ARG 8 2HH1 ARG 8 14.175 -3.982 -14.596
41 HH21 ARG 8 1HH2 ARG 8 13.062 -7.091 -15.922
42 HH22 ARG 8 2HH2 ARG 8 14.276 -5.879 -16.030
43 H ARG 9 H ARG 9 9.459 -9.039 -9.102
44 HA ARG 9 HA ARG 9 10.127 -9.999 -7.261
45 HB3 ARG 9 2HB ARG 9 11.631 -11.205 -8.856
46 HG3 ARG 9 2HG ARG 9 13.639 -9.180 -7.864
47 HD3 ARG 9 2HD ARG 9 14.306 -11.340 -6.815
48 HE ARG 9 HE ARG 9 13.670 -12.531 -9.256
49 HH11 ARG 9 1HH1 ARG 9 16.393 -12.579 -6.986
50 HH12 ARG 9 2HH1 ARG 9 17.225 -13.885 -7.758
51 HH21 ARG 9 1HH2 ARG 9 14.515 -14.474 -10.023
52 HH22 ARG 9 2HH2 ARG 9 16.078 -15.040 -9.532
53 H ARG 10 H ARG 10 12.073 -9.909 -5.472
54 HA ARG 10 HA ARG 10 12.137 -7.345 -4.241
55 HB3 ARG 10 2HB ARG 10 13.983 -9.763 -3.915
56 HG3 ARG 10 2HG ARG 10 13.476 -9.088 -1.405
57 HD3 ARG 10 2HD ARG 10 15.789 -9.031 -2.784
58 HE ARG 10 HE ARG 10 15.191 -6.414 -2.977
59 HH11 ARG 10 1HH1 ARG 10 17.715 -8.186 -1.223
60 HH12 ARG 10 2HH1 ARG 10 18.726 -6.796 -0.979
61 HH21 ARG 10 1HH2 ARG 10 16.477 -4.588 -2.648
62 HH22 ARG 10 2HH2 ARG 10 17.938 -4.628 -1.728
63 H ARG 11 H ARG 11 12.796 -6.379 -6.651
64 HA ARG 11 HA ARG 11 15.582 -5.610 -6.220
65 HB3 ARG 11 2HB ARG 11 14.785 -6.458 -9.035
66 HG3 ARG 11 2HG ARG 11 17.290 -7.293 -8.891
67 HD3 ARG 11 2HD ARG 11 18.313 -5.381 -9.831
68 HE ARG 11 HE ARG 11 15.769 -6.328 -10.794
69 HH11 ARG 11 1HH1 ARG 11 18.278 -3.869 -11.555
70 HH12 ARG 11 2HH1 ARG 11 17.753 -3.720 -13.192
71 HH21 ARG 11 1HH2 ARG 11 15.188 -6.172 -12.845
72 HH22 ARG 11 2HH2 ARG 11 15.968 -5.076 -13.983
73 H THR 12 H THR 12 12.739 -4.545 -6.463
74 HA THR 12 HA THR 12 13.472 -1.869 -7.313
75 HB THR 12 HB THR 12 11.292 -3.236 -8.917
76 HG1 THR 12 1HG THR 12 14.040 -3.019 -9.453
77 HG21 THR 12 3HG2 THR 12 11.525 -1.327 -10.440
78 HG22 THR 12 1HG2 THR 12 12.811 -0.647 -9.414
79 HG23 THR 12 2HG2 THR 12 11.139 -0.786 -8.799
80 H ALA 13 H ALA 13 12.104 -0.493 -6.211
81 HA ALA 13 HA ALA 13 10.945 0.163 -4.419
82 HB1 ALA 13 1HB ALA 13 9.347 0.477 -6.228
83 HB2 ALA 13 2HB ALA 13 8.682 -1.144 -5.933
84 HB3 ALA 13 3HB ALA 13 8.552 0.103 -4.691
85 H PHE 14 H PHE 14 9.277 -2.917 -4.916
86 HA PHE 14 HA PHE 14 9.240 -3.473 -1.990
87 HB3 PHE 14 2HB PHE 14 6.960 -4.470 -2.593
88 HD1 PHE 14 2HD PHE 14 6.885 -3.291 -0.466
89 HD2 PHE 14 1HD PHE 14 6.783 -1.227 -4.176
90 HE1 PHE 14 2HE PHE 14 5.927 -1.284 0.705
91 HE2 PHE 14 1HE PHE 14 5.841 0.847 -2.996
92 HZ PHE 14 HZ PHE 14 5.462 0.748 -0.570
93 H THR 15 H THR 15 8.088 -6.084 -2.308
94 HA THR 15 HA THR 15 9.719 -7.432 -4.357
95 HB THR 15 HB THR 15 9.874 -9.393 -3.201
96 HG1 THR 15 1HG THR 15 8.724 -9.790 -1.203
97 HG21 THR 15 3HG2 THR 15 11.059 -9.016 -1.266
98 HG22 THR 15 1HG2 THR 15 10.051 -7.672 -0.743
99 HG23 THR 15 2HG2 THR 15 11.172 -7.437 -2.083
100 H SER 16 H SER 16 8.347 -9.416 -5.248
101 HA SER 16 HA SER 16 5.824 -8.516 -6.116
102 HB3 SER 16 2HB SER 16 5.680 -10.629 -7.165
103 HG SER 16 HG SER 16 7.969 -11.232 -7.610
104 H GLU 17 H GLU 17 6.827 -10.169 -3.132
105 HA GLU 17 HA GLU 17 4.201 -11.122 -2.409
106 HB3 GLU 17 2HB GLU 17 6.665 -10.798 -0.733
107 HG3 GLU 17 2HG GLU 17 5.322 -13.357 -0.553
108 H GLN 18 H GLN 18 6.445 -8.463 -1.391
109 HA GLN 18 HA GLN 18 4.608 -7.383 0.557
110 HB3 GLN 18 2HB GLN 18 6.022 -5.308 0.306
111 HG3 GLN 18 2HG GLN 18 7.664 -7.871 0.454
112 HE21 GLN 18 1HE2 GLN 18 8.680 -6.430 2.990
113 HE22 GLN 18 2HE2 GLN 18 9.961 -5.409 2.436
114 H LEU 19 H LEU 19 4.295 -7.546 -2.812
115 HA LEU 19 HA LEU 19 2.199 -5.403 -2.819
116 HB3 LEU 19 2HB LEU 19 2.489 -5.560 -5.326
117 HG LEU 19 HG LEU 19 5.001 -4.852 -3.752
118 HD11 LEU 19 1HD1 LEU 19 5.658 -3.661 -5.811
119 HD12 LEU 19 2HD1 LEU 19 4.201 -4.273 -6.609
120 HD13 LEU 19 3HD1 LEU 19 5.478 -5.410 -6.083
121 HD21 LEU 19 3HD2 LEU 19 2.716 -3.161 -4.858
122 HD22 LEU 19 1HD2 LEU 19 4.227 -2.515 -4.160
123 HD23 LEU 19 2HD2 LEU 19 3.121 -3.430 -3.134
124 H LEU 20 H LEU 20 2.673 -8.658 -2.562
125 HA LEU 20 HA LEU 20 0.116 -9.541 -3.781
126 HB3 LEU 20 2HB LEU 20 1.958 -11.018 -1.849
127 HG LEU 20 HG LEU 20 -0.449 -11.850 -2.649
128 HD11 LEU 20 1HD1 LEU 20 1.344 -12.863 -4.888
129 HD12 LEU 20 2HD1 LEU 20 0.131 -11.566 -5.060
130 HD13 LEU 20 3HD1 LEU 20 -0.397 -13.177 -4.582
131 HD21 LEU 20 3HD2 LEU 20 2.056 -13.588 -2.538
132 HD22 LEU 20 1HD2 LEU 20 0.389 -14.184 -2.391
133 HD23 LEU 20 2HD2 LEU 20 1.044 -13.101 -1.164
134 H GLU 21 H GLU 21 1.636 -9.060 -0.572
135 HA GLU 21 HA GLU 21 -0.822 -9.537 0.826
136 HB3 GLU 21 2HB GLU 21 0.765 -8.555 2.714
137 HG3 GLU 21 2HG GLU 21 2.005 -10.704 2.807
138 H LEU 22 H LEU 22 0.926 -6.499 0.040
139 HA LEU 22 HA LEU 22 -0.471 -4.899 1.810
140 HB3 LEU 22 2HB LEU 22 0.020 -3.247 -0.484
141 HG LEU 22 HG LEU 22 0.753 -2.453 1.631
142 HD11 LEU 22 1HD1 LEU 22 1.401 -4.550 2.797
143 HD12 LEU 22 2HD1 LEU 22 2.713 -3.372 2.840
144 HD13 LEU 22 3HD1 LEU 22 2.772 -4.733 1.689
145 HD21 LEU 22 3HD2 LEU 22 2.841 -1.531 1.046
146 HD22 LEU 22 1HD2 LEU 22 2.166 -2.011 -0.532
147 HD23 LEU 22 2HD2 LEU 22 3.392 -3.001 0.227
148 H GLU 23 H GLU 23 -1.714 -6.026 -1.194
149 HA GLU 23 HA GLU 23 -3.833 -4.027 -1.475
150 HB3 GLU 23 2HB GLU 23 -3.239 -5.045 -3.469
151 HG3 GLU 23 2HG GLU 23 -3.166 -7.670 -1.976
152 H LYS 24 H LYS 24 -3.395 -6.928 0.350
153 HA LYS 24 HA LYS 24 -6.189 -7.656 0.529
154 HB3 LYS 24 2HB LYS 24 -4.078 -8.658 2.465
155 HG3 LYS 24 2HG LYS 24 -6.417 -9.790 0.901
156 HD3 LYS 24 2HD LYS 24 -5.559 -12.070 1.859
157 HE3 LYS 24 2HE LYS 24 -3.964 -12.370 -0.150
158 HZ1 LYS 24 3HZ LYS 24 -6.016 -13.137 -0.675
159 HZ2 LYS 24 1HZ LYS 24 -5.860 -11.956 -1.769
160 HZ3 LYS 24 2HZ LYS 24 -6.798 -11.696 -0.448
161 H GLU 25 H GLU 25 -3.866 -6.161 2.927
162 HA GLU 25 HA GLU 25 -5.852 -5.412 4.767
163 HB3 GLU 25 2HB GLU 25 -4.287 -3.463 5.279
164 HG3 GLU 25 2HG GLU 25 -4.012 -6.110 5.942
165 H PHE 26 H PHE 26 -5.355 -4.115 1.564
166 HA PHE 26 HA PHE 26 -6.912 -1.673 2.167
167 HB3 PHE 26 2HB PHE 26 -5.941 -2.452 -0.587
168 HD1 PHE 26 2HD PHE 26 -5.129 0.434 1.579
169 HD2 PHE 26 1HD PHE 26 -7.618 -0.953 -1.634
170 HE1 PHE 26 2HE PHE 26 -5.907 2.734 1.195
171 HE2 PHE 26 1HE PHE 26 -8.406 1.362 -2.041
172 HZ PHE 26 HZ PHE 26 -7.565 3.234 -0.596
173 H HIS 27 H HIS 27 -7.599 -4.909 1.421
174 HA HIS 27 HA HIS 27 -9.892 -4.505 -0.294
175 HB3 HIS 27 2HB HIS 27 -9.287 -6.819 1.595
176 HD1 HIS 27 1HD HIS 27 -12.170 -6.988 1.633
177 HD2 HIS 27 2HD HIS 27 -10.044 -7.651 -1.953
178 HE1 HIS 27 1HE HIS 27 -13.756 -8.192 0.082
179 H CYS 28 H CYS 28 -9.489 -5.192 3.238
180 HA CYS 28 HA CYS 28 -12.348 -4.903 3.672
181 HB3 CYS 28 2HB CYS 28 -11.749 -5.796 5.897
182 HG CYS 28 HG CYS 28 -12.449 -7.549 4.327
183 H LYS 29 H LYS 29 -9.294 -3.288 4.633
184 HA LYS 29 HA LYS 29 -10.877 -1.005 5.691
185 HB3 LYS 29 2HB LYS 29 -8.490 -0.495 6.712
186 HG3 LYS 29 2HG LYS 29 -10.253 -2.752 7.738
187 HD3 LYS 29 2HD LYS 29 -8.112 -1.016 9.025
188 HE3 LYS 29 2HE LYS 29 -8.766 -2.580 11.028
189 HZ1 LYS 29 3HZ LYS 29 -10.140 -0.988 11.928
190 HZ2 LYS 29 1HZ LYS 29 -10.627 -0.352 10.496
191 HZ3 LYS 29 2HZ LYS 29 -9.063 -0.157 11.013
192 H LYS 30 H LYS 30 -9.527 1.092 5.425
193 HA LYS 30 HA LYS 30 -8.187 1.119 2.747
194 HB3 LYS 30 2HB LYS 30 -8.968 3.396 2.365
195 HG3 LYS 30 2HG LYS 30 -11.357 3.235 2.126
196 HD3 LYS 30 2HD LYS 30 -10.468 0.403 1.491
197 HE3 LYS 30 2HE LYS 30 -12.001 2.316 -0.279
198 HZ1 LYS 30 3HZ LYS 30 -12.793 -0.456 0.214
199 HZ2 LYS 30 1HZ LYS 30 -11.487 -0.230 -0.727
200 HZ3 LYS 30 2HZ LYS 30 -12.915 0.444 -1.153
201 H TYR 31 H TYR 31 -7.970 1.986 6.182
202 HA TYR 31 HA TYR 31 -5.204 2.690 5.719
203 HB3 TYR 31 2HB TYR 31 -5.925 4.859 5.199
204 HD1 TYR 31 1HD TYR 31 -8.274 5.040 4.563
205 HD2 TYR 31 2HD TYR 31 -7.079 5.346 8.682
206 HE1 TYR 31 1HE TYR 31 -10.392 6.223 5.074
207 HE2 TYR 31 2HE TYR 31 -9.210 6.478 9.225
208 HH TYR 31 HH TYR 31 -11.502 6.939 8.280
209 H LEU 32 H LEU 32 -3.989 3.129 7.700
210 HA LEU 32 HA LEU 32 -5.006 1.679 10.040
211 HB3 LEU 32 2HB LEU 32 -2.570 1.390 10.373
212 HG LEU 32 HG LEU 32 -1.954 0.007 8.664
213 HD11 LEU 32 1HD1 LEU 32 -5.007 -0.158 8.460
214 HD12 LEU 32 2HD1 LEU 32 -4.089 -0.801 9.830
215 HD13 LEU 32 3HD1 LEU 32 -3.860 -1.473 8.218
216 HD21 LEU 32 3HD2 LEU 32 -2.214 1.588 6.807
217 HD22 LEU 32 1HD2 LEU 32 -3.862 0.911 6.595
218 HD23 LEU 32 2HD2 LEU 32 -2.439 -0.132 6.521
219 H SER 33 H SER 33 -3.846 2.276 12.055
220 HA SER 33 HA SER 33 -4.221 5.100 12.719
221 HB3 SER 33 2HB SER 33 -5.277 3.293 13.970
222 HG SER 33 HG SER 33 -4.077 1.834 15.095
223 H LEU 34 H LEU 34 -2.317 5.298 14.831
224 HA LEU 34 HA LEU 34 0.208 5.497 13.376
225 HB3 LEU 34 2HB LEU 34 0.295 6.198 16.222
226 HG LEU 34 HG LEU 34 0.393 7.774 13.636
227 HD11 LEU 34 1HD1 LEU 34 -0.263 9.225 15.522
228 HD12 LEU 34 2HD1 LEU 34 1.361 9.612 14.922
229 HD13 LEU 34 3HD1 LEU 34 1.165 8.691 16.436
230 HD21 LEU 34 3HD2 LEU 34 2.860 7.923 14.113
231 HD22 LEU 34 1HD2 LEU 34 2.332 6.272 13.807
232 HD23 LEU 34 2HD2 LEU 34 2.640 6.806 15.466
233 H THR 35 H THR 35 -1.346 2.977 14.952
234 HA THR 35 HA THR 35 1.264 1.835 15.862
235 HB THR 35 HB THR 35 -0.228 2.061 17.716
236 HG1 THR 35 1HG THR 35 0.922 0.198 17.773
237 HG21 THR 35 3HG2 THR 35 -2.402 2.184 16.631
238 HG22 THR 35 1HG2 THR 35 -2.401 0.976 17.886
239 HG23 THR 35 2HG2 THR 35 -2.314 0.445 16.218
240 H GLU 36 H GLU 36 -1.834 1.045 14.238
241 HA GLU 36 HA GLU 36 -1.140 -1.500 13.428
242 HB3 GLU 36 2HB GLU 36 -2.860 -0.932 11.531
243 HG3 GLU 36 2HG GLU 36 -4.733 -0.784 13.222
244 H ARG 37 H ARG 37 -0.227 1.528 11.781
245 HA ARG 37 HA ARG 37 0.615 0.097 9.382
246 HB3 ARG 37 2HB ARG 37 1.557 2.855 10.282
247 HG3 ARG 37 2HG ARG 37 1.258 1.495 7.577
248 HD3 ARG 37 2HD ARG 37 2.268 3.538 6.650
249 HE ARG 37 HE ARG 37 0.200 4.971 7.969
250 HH11 ARG 37 1HH1 ARG 37 0.683 2.285 5.736
251 HH12 ARG 37 2HH1 ARG 37 -0.857 2.359 4.976
252 HH21 ARG 37 1HH2 ARG 37 -1.911 5.148 6.988
253 HH22 ARG 37 2HH2 ARG 37 -2.304 4.207 5.594
254 H SER 38 H SER 38 2.141 1.028 12.435
255 HA SER 38 HA SER 38 4.817 0.262 11.766
256 HB3 SER 38 2HB SER 38 3.619 0.079 14.548
257 HG SER 38 HG SER 38 5.667 1.285 14.888
258 H GLN 39 H GLN 39 1.926 -1.530 12.935
259 HA GLN 39 HA GLN 39 3.330 -3.978 13.413
260 HB3 GLN 39 2HB GLN 39 1.206 -5.049 13.568
261 HG3 GLN 39 2HG GLN 39 0.337 -2.405 14.657
262 HE21 GLN 39 1HE2 GLN 39 -1.597 -3.992 15.104
263 HE22 GLN 39 2HE2 GLN 39 -1.419 -4.954 16.560
264 H ILE 40 H ILE 40 1.280 -3.000 10.538
265 HA ILE 40 HA ILE 40 1.956 -5.194 8.922
266 HB ILE 40 HB ILE 40 1.365 -2.303 8.171
267 HG13 ILE 40 2HG1 ILE 40 -0.412 -3.643 9.421
268 HG21 ILE 40 1HG2 ILE 40 2.519 -3.382 6.249
269 HG22 ILE 40 2HG2 ILE 40 1.389 -4.746 6.335
270 HG23 ILE 40 3HG2 ILE 40 0.825 -3.132 5.884
271 HD11 ILE 40 3HD1 ILE 40 -2.242 -3.009 8.065
272 HD12 ILE 40 1HD1 ILE 40 -0.977 -1.777 7.816
273 HD13 ILE 40 2HD1 ILE 40 -1.282 -3.017 6.581
274 H ALA 41 H ALA 41 3.710 -2.083 9.300
275 HA ALA 41 HA ALA 41 5.645 -2.557 7.297
276 HB1 ALA 41 1HB ALA 41 7.040 -0.898 8.514
277 HB2 ALA 41 2HB ALA 41 5.358 -0.352 8.332
278 HB3 ALA 41 3HB ALA 41 5.928 -0.979 9.896
279 H HIS 42 H HIS 42 5.646 -3.529 10.762
280 HA HIS 42 HA HIS 42 8.319 -4.652 10.599
281 HB3 HIS 42 2HB HIS 42 7.497 -5.822 12.737
282 HD1 HIS 42 1HD HIS 42 8.736 -4.769 14.733
283 HD2 HIS 42 2HD HIS 42 7.688 -2.068 11.665
284 HE1 HIS 42 1HE HIS 42 9.990 -2.624 15.207
285 H ALA 43 H ALA 43 4.986 -6.032 10.391
286 HA ALA 43 HA ALA 43 5.604 -8.704 10.181
287 HB1 ALA 43 1HB ALA 43 3.306 -7.743 10.311
288 HB2 ALA 43 2HB ALA 43 3.424 -7.248 8.612
289 HB3 ALA 43 3HB ALA 43 3.467 -8.968 9.033
290 H LEU 44 H LEU 44 5.192 -6.543 7.369
291 HA LEU 44 HA LEU 44 6.394 -8.579 5.616
292 HB3 LEU 44 2HB LEU 44 5.987 -6.881 3.836
293 HG LEU 44 HG LEU 44 3.558 -7.280 5.636
294 HD11 LEU 44 1HD1 LEU 44 2.352 -6.902 3.520
295 HD12 LEU 44 2HD1 LEU 44 3.902 -6.624 2.679
296 HD13 LEU 44 3HD1 LEU 44 3.358 -5.526 3.974
297 HD21 LEU 44 3HD2 LEU 44 3.032 -9.187 4.159
298 HD22 LEU 44 1HD2 LEU 44 4.503 -9.482 5.058
299 HD23 LEU 44 2HD2 LEU 44 4.593 -9.025 3.327
300 H LYS 45 H LYS 45 7.909 -6.640 7.729
301 HA LYS 45 HA LYS 45 10.022 -6.006 8.014
302 HB3 LYS 45 2HB LYS 45 10.815 -7.181 5.329
303 HG3 LYS 45 2HG LYS 45 12.090 -6.714 8.003
304 HD3 LYS 45 2HD LYS 45 13.063 -8.848 6.030
305 HE3 LYS 45 2HE LYS 45 14.424 -9.452 8.098
306 HZ1 LYS 45 3HZ LYS 45 15.536 -8.258 6.477
307 HZ2 LYS 45 1HZ LYS 45 15.919 -7.549 7.915
308 HZ3 LYS 45 2HZ LYS 45 14.879 -6.784 6.896
309 H LEU 46 H LEU 46 8.149 -4.331 6.435
310 HA LEU 46 HA LEU 46 9.909 -2.805 4.654
311 HB3 LEU 46 2HB LEU 46 7.658 -1.355 4.479
312 HG LEU 46 HG LEU 46 7.769 -4.227 3.564
313 HD11 LEU 46 1HD1 LEU 46 5.420 -3.589 3.776
314 HD12 LEU 46 2HD1 LEU 46 5.876 -3.731 2.084
315 HD13 LEU 46 3HD1 LEU 46 5.708 -2.125 2.820
316 HD21 LEU 46 3HD2 LEU 46 8.089 -1.595 2.041
317 HD22 LEU 46 1HD2 LEU 46 8.212 -3.216 1.359
318 HD23 LEU 46 2HD2 LEU 46 9.425 -2.670 2.508
319 H SER 47 H SER 47 9.046 -0.254 5.167
320 HA SER 47 HA SER 47 9.540 0.311 8.050
321 HB3 SER 47 2HB SER 47 10.405 2.511 7.349
322 HG SER 47 HG SER 47 12.289 1.693 7.317
323 H GLU 48 H GLU 48 8.135 1.996 8.843
324 HA GLU 48 HA GLU 48 5.492 1.903 8.160
325 HB3 GLU 48 2HB GLU 48 5.247 4.181 9.177
326 HG3 GLU 48 2HG GLU 48 7.121 2.534 10.884
327 H VAL 49 H VAL 49 7.881 3.983 6.627
328 HA VAL 49 HA VAL 49 5.948 5.770 5.410
329 HB VAL 49 HB VAL 49 8.946 5.417 5.246
330 HG11 VAL 49 1HG1 VAL 49 8.860 7.647 3.937
331 HG12 VAL 49 2HG1 VAL 49 8.405 6.201 3.040
332 HG13 VAL 49 3HG1 VAL 49 7.148 7.303 3.660
333 HG21 VAL 49 3HG2 VAL 49 7.184 7.668 6.235
334 HG22 VAL 49 1HG2 VAL 49 7.924 6.439 7.289
335 HG23 VAL 49 2HG2 VAL 49 8.955 7.541 6.380
336 H GLN 50 H GLN 50 7.941 2.975 4.346
337 HA GLN 50 HA GLN 50 7.293 3.094 1.578
338 HB3 GLN 50 2HB GLN 50 7.762 0.644 1.659
339 HG3 GLN 50 2HG GLN 50 9.998 0.987 3.233
340 HE21 GLN 50 1HE2 GLN 50 9.743 3.308 0.467
341 HE22 GLN 50 2HE2 GLN 50 10.439 2.217 -0.670
342 H VAL 51 H VAL 51 5.674 1.670 4.423
343 HA VAL 51 HA VAL 51 3.445 0.593 2.913
344 HB VAL 51 HB VAL 51 3.514 1.264 5.886
345 HG11 VAL 51 1HG1 VAL 51 1.267 0.652 4.930
346 HG12 VAL 51 2HG1 VAL 51 1.954 -0.870 4.356
347 HG13 VAL 51 3HG1 VAL 51 1.861 -0.543 6.091
348 HG21 VAL 51 3HG2 VAL 51 5.450 -0.215 5.412
349 HG22 VAL 51 1HG2 VAL 51 4.179 -1.094 6.258
350 HG23 VAL 51 2HG2 VAL 51 4.385 -1.321 4.519
351 H LYS 52 H LYS 52 3.959 3.649 4.789
352 HA LYS 52 HA LYS 52 1.343 4.663 4.535
353 HB3 LYS 52 2HB LYS 52 3.940 6.252 4.653
354 HG3 LYS 52 2HG LYS 52 1.042 6.970 5.224
355 HD3 LYS 52 2HD LYS 52 3.388 7.890 6.642
356 HE3 LYS 52 2HE LYS 52 2.036 9.916 4.819
357 HZ1 LYS 52 3HZ LYS 52 2.150 10.884 7.006
358 HZ2 LYS 52 1HZ LYS 52 3.342 11.547 6.063
359 HZ3 LYS 52 2HZ LYS 52 3.736 10.457 7.196
360 H ILE 53 H ILE 53 4.156 5.319 2.412
361 HA ILE 53 HA ILE 53 2.812 6.952 0.545
362 HB ILE 53 HB ILE 53 5.212 5.064 0.284
363 HG13 ILE 53 2HG1 ILE 53 5.439 6.995 1.941
364 HG21 ILE 53 1HG2 ILE 53 5.777 6.353 -1.779
365 HG22 ILE 53 2HG2 ILE 53 4.245 5.521 -1.951
366 HG23 ILE 53 3HG2 ILE 53 4.248 7.252 -1.612
367 HD11 ILE 53 3HD1 ILE 53 7.526 7.844 1.196
368 HD12 ILE 53 1HD1 ILE 53 7.453 6.121 0.746
369 HD13 ILE 53 2HD1 ILE 53 7.215 7.396 -0.481
370 H TRP 54 H TRP 54 3.384 3.316 0.438
371 HA TRP 54 HA TRP 54 1.963 2.910 -1.876
372 HB3 TRP 54 2HB TRP 54 1.919 0.995 0.473
373 HD1 TRP 54 HD TRP 54 3.350 -0.015 -2.840
374 HE1 TRP 54 1HE TRP 54 1.750 -1.647 -3.991
375 HE3 TRP 54 3HE TRP 54 -0.607 0.317 0.367
376 HZ2 TRP 54 2HZ TRP 54 -1.030 -2.429 -3.734
377 HZ3 TRP 54 3HZ TRP 54 -2.647 -0.968 -0.031
378 HH2 TRP 54 HH TRP 54 -2.937 -2.264 -2.140
379 H PHE 55 H PHE 55 0.551 2.854 1.461
380 HA PHE 55 HA PHE 55 -2.150 2.408 0.584
381 HB3 PHE 55 2HB PHE 55 -2.680 3.793 2.768
382 HD1 PHE 55 2HD PHE 55 -0.034 1.090 2.899
383 HD2 PHE 55 1HD PHE 55 -4.179 2.102 3.528
384 HE1 PHE 55 2HE PHE 55 -0.438 -1.125 3.729
385 HE2 PHE 55 1HE PHE 55 -4.601 -0.247 4.247
386 HZ PHE 55 HZ PHE 55 -2.727 -1.835 4.362
387 H GLN 56 H GLN 56 -0.283 5.445 1.058
388 HA GLN 56 HA GLN 56 -2.384 7.232 0.505
389 HB3 GLN 56 2HB GLN 56 -0.348 8.695 -0.227
390 HG3 GLN 56 2HG GLN 56 0.004 7.820 2.616
391 HE21 GLN 56 1HE2 GLN 56 1.896 9.457 2.008
392 HE22 GLN 56 2HE2 GLN 56 1.492 11.143 2.006
393 H ASN 57 H ASN 57 -0.408 5.314 -1.806
394 HA ASN 57 HA ASN 57 -1.274 6.742 -4.171
395 HB3 ASN 57 2HB ASN 57 -0.708 4.364 -5.094
396 HD21 ASN 57 1HD2 ASN 57 1.720 5.818 -2.815
397 HD22 ASN 57 2HD2 ASN 57 2.750 6.360 -4.124
398 H ARG 58 H ARG 58 -2.283 3.663 -2.629
399 HA ARG 58 HA ARG 58 -4.513 3.184 -4.347
400 HB3 ARG 58 2HB ARG 58 -5.041 1.953 -1.856
401 HG3 ARG 58 2HG ARG 58 -5.035 0.864 -4.103
402 HD3 ARG 58 2HD ARG 58 -2.029 0.622 -3.630
403 HE ARG 58 HE ARG 58 -2.558 -1.171 -5.043
404 HH11 ARG 58 1HH1 ARG 58 -4.081 1.769 -6.429
405 HH12 ARG 58 2HH1 ARG 58 -4.540 0.886 -7.866
406 HH21 ARG 58 1HH2 ARG 58 -2.861 -2.058 -7.064
407 HH22 ARG 58 2HH2 ARG 58 -3.472 -1.088 -8.377
408 H ARG 59 H ARG 59 -4.362 4.763 -1.220
409 HA ARG 59 HA ARG 59 -7.017 5.550 -0.750
410 HB3 ARG 59 2HB ARG 59 -5.739 7.635 0.295
411 HG3 ARG 59 2HG ARG 59 -4.491 6.032 1.968
412 HD3 ARG 59 2HD ARG 59 -6.723 5.169 2.880
413 HE ARG 59 HE ARG 59 -5.643 7.462 3.426
414 HH11 ARG 59 1HH1 ARG 59 -8.788 7.482 1.971
415 HH12 ARG 59 2HH1 ARG 59 -9.604 8.331 3.237
416 HH21 ARG 59 1HH2 ARG 59 -6.457 8.949 4.817
417 HH22 ARG 59 2HH2 ARG 59 -8.170 9.274 4.935
418 H ALA 60 H ALA 60 -4.508 7.256 -2.780
419 HA ALA 60 HA ALA 60 -6.229 9.421 -3.272
420 HB1 ALA 60 1HB ALA 60 -3.841 8.414 -4.878
421 HB2 ALA 60 2HB ALA 60 -4.622 9.989 -5.090
422 HB3 ALA 60 3HB ALA 60 -3.837 9.607 -3.552
423 H LYS 61 H LYS 61 -5.494 6.567 -5.343
424 HA LYS 61 HA LYS 61 -7.287 7.225 -7.420
425 HB3 LYS 61 2HB LYS 61 -6.606 4.408 -6.473
426 HG3 LYS 61 2HG LYS 61 -7.367 5.563 -9.202
427 HD3 LYS 61 2HD LYS 61 -6.808 2.692 -8.379
428 HE3 LYS 61 2HE LYS 61 -7.518 3.976 -11.060
429 HZ1 LYS 61 3HZ LYS 61 -7.566 1.742 -11.855
430 HZ2 LYS 61 1HZ LYS 61 -7.010 1.137 -10.437
431 HZ3 LYS 61 2HZ LYS 61 -6.034 2.093 -11.351
432 H TRP 62 H TRP 62 -7.955 5.361 -4.381
433 HA TRP 62 HA TRP 62 -10.666 4.834 -4.994
434 HB3 TRP 62 2HB TRP 62 -9.263 5.181 -2.336
435 HD1 TRP 62 HD TRP 62 -12.598 3.647 -3.654
436 HE1 TRP 62 1HE TRP 62 -14.405 3.894 -1.878
437 HE3 TRP 62 3HE TRP 62 -9.826 6.009 -0.083
438 HZ2 TRP 62 2HZ TRP 62 -14.682 5.244 0.684
439 HZ3 TRP 62 3HZ TRP 62 -10.931 6.814 2.019
440 HH2 TRP 62 HH TRP 62 -13.331 6.476 2.379
441 H LYS 63 H LYS 63 -9.213 7.841 -3.559
442 HA LYS 63 HA LYS 63 -11.800 9.058 -3.159
443 HB3 LYS 63 2HB LYS 63 -10.600 11.232 -3.257
444 HG3 LYS 63 2HG LYS 63 -8.758 9.770 -1.520
445 HD3 LYS 63 2HD LYS 63 -11.085 11.648 -0.940
446 HE3 LYS 63 2HE LYS 63 -8.914 10.624 0.935
447 HZ1 LYS 63 3HZ LYS 63 -11.171 12.491 1.401
448 HZ2 LYS 63 1HZ LYS 63 -9.579 12.908 1.392
449 HZ3 LYS 63 2HZ LYS 63 -10.192 11.912 2.567
450 H ARG 64 H ARG 64 -9.748 8.798 -6.116
451 HA ARG 64 HA ARG 64 -11.448 10.675 -7.459
452 HB3 ARG 64 2HB ARG 64 -10.377 9.725 -9.590
453 HG3 ARG 64 2HG ARG 64 -8.182 10.702 -9.268
454 HD3 ARG 64 2HD ARG 64 -10.158 12.418 -7.717
455 HE ARG 64 HE ARG 64 -8.134 13.581 -7.898
456 HH11 ARG 64 1HH1 ARG 64 -9.491 12.861 -11.145
457 HH12 ARG 64 2HH1 ARG 64 -8.500 14.006 -11.945
458 HH21 ARG 64 1HH2 ARG 64 -6.896 15.207 -9.008
459 HH22 ARG 64 2HH2 ARG 64 -6.935 15.268 -10.737
460 H ILE 65 H ILE 65 -11.631 7.432 -6.764
461 HA ILE 65 HA ILE 65 -13.794 6.910 -8.656
462 HB ILE 65 HB ILE 65 -12.758 5.234 -6.348
463 HG13 ILE 65 2HG1 ILE 65 -11.301 5.649 -8.441
464 HG21 ILE 65 1HG2 ILE 65 -14.834 4.511 -8.470
465 HG22 ILE 65 2HG2 ILE 65 -14.145 3.399 -7.280
466 HG23 ILE 65 3HG2 ILE 65 -15.165 4.720 -6.745
467 HD11 ILE 65 3HD1 ILE 65 -10.674 3.377 -8.895
468 HD12 ILE 65 1HD1 ILE 65 -10.893 3.608 -7.154
469 HD13 ILE 65 2HD1 ILE 65 -12.134 2.757 -8.123
470 H LYS 66 H LYS 66 -13.612 7.503 -5.128
471 HA LYS 66 HA LYS 66 -16.419 7.298 -4.777
472 HB3 LYS 66 2HB LYS 66 -14.407 7.173 -3.051
473 HG3 LYS 66 2HG LYS 66 -15.606 9.862 -2.350
474 HD3 LYS 66 2HD LYS 66 -13.029 8.618 -1.463
475 HE3 LYS 66 2HE LYS 66 -12.723 10.384 -0.096
476 HZ1 LYS 66 3HZ LYS 66 -13.851 11.842 -1.692
477 HZ2 LYS 66 1HZ LYS 66 -14.167 12.303 -0.170
478 HZ3 LYS 66 2HZ LYS 66 -15.321 11.502 -0.970
479 H ALA 67 H ALA 67 -14.467 10.142 -5.253
480 HA ALA 67 HA ALA 67 -16.850 11.831 -5.729
481 HB1 ALA 67 1HB ALA 67 -16.018 13.483 -4.051
482 HB2 ALA 67 2HB ALA 67 -16.534 11.963 -3.303
483 HB3 ALA 67 3HB ALA 67 -14.803 12.308 -3.530
484 H GLY 68 H GLY 68 -14.192 10.741 -6.933
485 HA2 GLY 68 1HA GLY 68 -12.954 13.256 -7.976
486 HA3 GLY 68 2HA GLY 68 -12.663 11.644 -8.619
487 H ASN 69 H ASN 69 -15.579 13.697 -8.253
488 HA ASN 69 HA ASN 69 -16.864 14.717 -9.734
489 HB3 ASN 69 2HB ASN 69 -15.157 13.947 -12.094
490 HD21 ASN 69 1HD2 ASN 69 -16.336 15.008 -13.711
491 HD22 ASN 69 2HD2 ASN 69 -17.030 16.605 -13.500
492 H VAL 70 H VAL 70 -16.871 11.616 -9.422
493 HA VAL 70 HA VAL 70 -17.998 9.845 -10.048
494 HB VAL 70 HB VAL 70 -19.855 11.509 -11.770
495 HG11 VAL 70 1HG1 VAL 70 -21.427 9.632 -11.125
496 HG12 VAL 70 2HG1 VAL 70 -20.071 9.104 -12.111
497 HG13 VAL 70 3HG1 VAL 70 -20.071 8.803 -10.359
498 HG21 VAL 70 3HG2 VAL 70 -19.922 10.923 -8.768
499 HG22 VAL 70 1HG2 VAL 70 -19.849 12.528 -9.553
500 HG23 VAL 70 2HG2 VAL 70 -21.299 11.544 -9.696
501 H SER 71 H SER 71 -15.770 9.883 -10.850
502 HA SER 71 HA SER 71 -15.124 9.608 -13.573
503 HB3 SER 71 2HB SER 71 -14.017 7.736 -11.467
504 HG SER 71 HG SER 71 -12.785 9.395 -13.426
Start of MODEL 14
1 H1 SER 1 H SER 1 -3.238 -5.650 -10.500
2 HA SER 1 HA SER 1 -3.687 -4.558 -12.509
3 HB3 SER 1 2HB SER 1 -1.704 -3.463 -13.760
4 HG SER 1 HG SER 1 -3.475 -2.359 -12.936
5 H ALA 2 H ALA 2 -0.232 -5.645 -12.991
6 HA ALA 2 HA ALA 2 -1.188 -7.635 -14.913
7 HB1 ALA 2 1HB ALA 2 0.895 -6.346 -15.289
8 HB2 ALA 2 2HB ALA 2 1.598 -7.018 -13.809
9 HB3 ALA 2 3HB ALA 2 1.247 -8.068 -15.181
10 HA PRO 3 HA PRO 3 -1.211 -10.964 -11.930
11 HB3 PRO 3 2HB PRO 3 -1.999 -12.308 -13.649
12 HG3 PRO 3 2HG PRO 3 -0.989 -12.288 -15.810
13 HD3 PRO 3 2HD PRO 3 -1.663 -10.077 -15.313
14 H GLY 4 H GLY 4 1.878 -10.423 -13.640
15 HA2 GLY 4 1HA GLY 4 3.653 -10.414 -11.575
16 HA3 GLY 4 2HA GLY 4 3.391 -12.148 -11.888
17 H GLY 5 H GLY 5 5.755 -11.935 -12.458
18 HA2 GLY 5 1HA GLY 5 6.255 -12.350 -15.103
19 HA3 GLY 5 2HA GLY 5 6.499 -10.608 -14.952
20 H LYS 6 H LYS 6 7.666 -10.308 -12.488
21 HA LYS 6 HA LYS 6 10.086 -12.059 -12.497
22 HB3 LYS 6 2HB LYS 6 10.104 -9.016 -12.503
23 HG3 LYS 6 2HG LYS 6 12.265 -11.150 -12.245
24 HD3 LYS 6 2HD LYS 6 13.901 -9.238 -12.495
25 HE3 LYS 6 2HE LYS 6 13.993 -9.126 -14.902
26 HZ1 LYS 6 3HZ LYS 6 12.919 -11.815 -14.412
27 HZ2 LYS 6 1HZ LYS 6 14.373 -11.332 -13.783
28 HZ3 LYS 6 2HZ LYS 6 14.123 -11.355 -15.422
29 H SER 7 H SER 7 9.568 -13.152 -10.640
30 HA SER 7 HA SER 7 8.501 -11.855 -8.296
31 HB3 SER 7 2HB SER 7 7.919 -14.111 -8.686
32 HG SER 7 HG SER 7 9.344 -15.733 -9.053
33 H ARG 8 H ARG 8 9.635 -11.946 -6.200
34 HA ARG 8 HA ARG 8 11.157 -10.898 -4.896
35 HB3 ARG 8 2HB ARG 8 11.773 -13.112 -4.522
36 HG3 ARG 8 2HG ARG 8 13.533 -12.968 -7.014
37 HD3 ARG 8 2HD ARG 8 14.057 -15.396 -6.280
38 HE ARG 8 HE ARG 8 15.573 -13.227 -6.074
39 HH11 ARG 8 1HH1 ARG 8 15.022 -15.658 -3.507
40 HH12 ARG 8 2HH1 ARG 8 16.515 -15.263 -2.737
41 HH21 ARG 8 1HH2 ARG 8 17.571 -12.968 -5.165
42 HH22 ARG 8 2HH2 ARG 8 18.012 -13.785 -3.674
43 H ARG 9 H ARG 9 10.846 -9.257 -6.987
44 HA ARG 9 HA ARG 9 12.984 -8.815 -8.633
45 HB3 ARG 9 2HB ARG 9 10.648 -7.811 -8.734
46 HG3 ARG 9 2HG ARG 9 11.909 -5.373 -7.429
47 HD3 ARG 9 2HD ARG 9 9.691 -4.422 -7.458
48 HE ARG 9 HE ARG 9 11.120 -4.858 -9.815
49 HH11 ARG 9 1HH1 ARG 9 7.581 -4.586 -9.205
50 HH12 ARG 9 2HH1 ARG 9 7.307 -3.874 -10.754
51 HH21 ARG 9 1HH2 ARG 9 10.715 -3.880 -11.693
52 HH22 ARG 9 2HH2 ARG 9 9.139 -3.455 -12.260
53 H ARG 10 H ARG 10 12.654 -7.440 -5.415
54 HA ARG 10 HA ARG 10 13.722 -5.836 -4.307
55 HB3 ARG 10 2HB ARG 10 14.931 -7.688 -3.521
56 HG3 ARG 10 2HG ARG 10 16.934 -7.287 -5.791
57 HD3 ARG 10 2HD ARG 10 18.260 -9.027 -4.610
58 HE ARG 10 HE ARG 10 18.074 -6.293 -3.649
59 HH11 ARG 10 1HH1 ARG 10 19.737 -9.379 -3.021
60 HH12 ARG 10 2HH1 ARG 10 21.197 -8.625 -2.496
61 HH21 ARG 10 1HH2 ARG 10 19.978 -5.317 -2.595
62 HH22 ARG 10 2HH2 ARG 10 21.268 -6.347 -2.143
63 H ARG 11 H ARG 11 13.056 -4.391 -6.085
64 HA ARG 11 HA ARG 11 15.174 -2.714 -7.104
65 HB3 ARG 11 2HB ARG 11 13.938 -2.522 -9.314
66 HG3 ARG 11 2HG ARG 11 14.675 -4.721 -10.370
67 HD3 ARG 11 2HD ARG 11 16.780 -3.126 -8.870
68 HE ARG 11 HE ARG 11 17.848 -4.873 -10.050
69 HH11 ARG 11 1HH1 ARG 11 15.983 -2.813 -12.319
70 HH12 ARG 11 2HH1 ARG 11 16.832 -3.438 -13.705
71 HH21 ARG 11 1HH2 ARG 11 18.824 -5.699 -11.858
72 HH22 ARG 11 2HH2 ARG 11 18.438 -5.126 -13.437
73 H THR 12 H THR 12 14.371 -0.643 -7.003
74 HA THR 12 HA THR 12 13.093 1.104 -6.517
75 HB THR 12 HB THR 12 10.552 -0.525 -6.536
76 HG1 THR 12 1HG THR 12 10.343 -0.111 -8.675
77 HG21 THR 12 3HG2 THR 12 10.236 1.795 -5.835
78 HG22 THR 12 1HG2 THR 12 9.646 1.652 -7.476
79 HG23 THR 12 2HG2 THR 12 11.236 2.376 -7.191
80 H ALA 13 H ALA 13 11.620 1.844 -4.568
81 HA ALA 13 HA ALA 13 12.873 1.122 -2.177
82 HB1 ALA 13 1HB ALA 13 10.904 2.451 -1.185
83 HB2 ALA 13 2HB ALA 13 11.896 3.287 -2.404
84 HB3 ALA 13 3HB ALA 13 10.310 2.622 -2.837
85 H PHE 14 H PHE 14 10.407 -0.730 -3.727
86 HA PHE 14 HA PHE 14 9.662 -2.126 -1.227
87 HB3 PHE 14 2HB PHE 14 7.322 -2.161 -2.098
88 HD1 PHE 14 1HD PHE 14 8.594 1.245 -2.995
89 HD2 PHE 14 2HD PHE 14 6.590 -1.142 -0.040
90 HE1 PHE 14 1HE PHE 14 8.103 3.302 -1.671
91 HE2 PHE 14 2HE PHE 14 5.942 0.929 1.183
92 HZ PHE 14 HZ PHE 14 6.749 3.142 0.390
93 H THR 15 H THR 15 9.442 -4.413 -1.691
94 HA THR 15 HA THR 15 10.585 -5.160 -4.302
95 HB THR 15 HB THR 15 10.932 -7.284 -3.501
96 HG1 THR 15 1HG THR 15 10.032 -7.947 -1.410
97 HG21 THR 15 3HG2 THR 15 12.407 -5.574 -2.434
98 HG22 THR 15 1HG2 THR 15 12.236 -7.074 -1.531
99 HG23 THR 15 2HG2 THR 15 11.372 -5.627 -1.003
100 H SER 16 H SER 16 9.436 -7.353 -5.261
101 HA SER 16 HA SER 16 6.840 -6.527 -6.149
102 HB3 SER 16 2HB SER 16 8.129 -7.670 -7.740
103 HG SER 16 HG SER 16 8.553 -9.902 -6.163
104 H GLU 17 H GLU 17 8.033 -8.432 -3.455
105 HA GLU 17 HA GLU 17 5.449 -9.711 -2.895
106 HB3 GLU 17 2HB GLU 17 6.847 -9.824 -0.562
107 HG3 GLU 17 2HG GLU 17 6.883 -11.503 -3.098
108 H GLN 18 H GLN 18 7.359 -6.995 -1.453
109 HA GLN 18 HA GLN 18 5.310 -6.098 0.217
110 HB3 GLN 18 2HB GLN 18 6.523 -3.812 -0.042
111 HG3 GLN 18 2HG GLN 18 7.678 -6.433 0.918
112 HE21 GLN 18 1HE2 GLN 18 9.109 -5.619 2.973
113 HE22 GLN 18 2HE2 GLN 18 10.670 -5.029 2.531
114 H LEU 19 H LEU 19 5.799 -5.086 -3.223
115 HA LEU 19 HA LEU 19 3.633 -3.163 -3.128
116 HB3 LEU 19 2HB LEU 19 3.862 -3.400 -5.705
117 HG LEU 19 HG LEU 19 6.407 -2.810 -4.156
118 HD11 LEU 19 1HD1 LEU 19 7.060 -1.608 -6.205
119 HD12 LEU 19 2HD1 LEU 19 5.557 -2.154 -6.998
120 HD13 LEU 19 3HD1 LEU 19 6.793 -3.337 -6.497
121 HD21 LEU 19 3HD2 LEU 19 4.095 -1.024 -5.042
122 HD22 LEU 19 1HD2 LEU 19 5.697 -0.398 -4.574
123 HD23 LEU 19 2HD2 LEU 19 4.715 -1.274 -3.401
124 H LEU 20 H LEU 20 3.523 -6.547 -3.321
125 HA LEU 20 HA LEU 20 0.895 -6.566 -4.738
126 HB3 LEU 20 2HB LEU 20 2.655 -8.879 -3.836
127 HG LEU 20 HG LEU 20 1.614 -10.064 -5.792
128 HD11 LEU 20 1HD1 LEU 20 1.046 -10.697 -3.523
129 HD12 LEU 20 2HD1 LEU 20 -0.342 -10.885 -4.592
130 HD13 LEU 20 3HD1 LEU 20 -0.239 -9.505 -3.469
131 HD21 LEU 20 3HD2 LEU 20 -0.639 -8.040 -5.572
132 HD22 LEU 20 1HD2 LEU 20 -0.552 -9.447 -6.641
133 HD23 LEU 20 2HD2 LEU 20 0.563 -8.094 -6.881
134 H GLU 21 H GLU 21 2.465 -7.540 -1.648
135 HA GLU 21 HA GLU 21 0.123 -8.387 -0.274
136 HB3 GLU 21 2HB GLU 21 1.466 -7.857 1.762
137 HG3 GLU 21 2HG GLU 21 3.419 -9.315 1.308
138 H LEU 22 H LEU 22 1.386 -5.217 -1.006
139 HA LEU 22 HA LEU 22 -0.003 -3.687 0.984
140 HB3 LEU 22 2HB LEU 22 0.442 -2.075 -1.286
141 HG LEU 22 HG LEU 22 1.229 -1.143 0.672
142 HD11 LEU 22 1HD1 LEU 22 3.016 -3.548 1.167
143 HD12 LEU 22 2HD1 LEU 22 1.624 -3.052 2.144
144 HD13 LEU 22 3HD1 LEU 22 3.053 -2.029 2.092
145 HD21 LEU 22 3HD2 LEU 22 3.527 -0.557 0.190
146 HD22 LEU 22 1HD2 LEU 22 2.696 -0.811 -1.357
147 HD23 LEU 22 2HD2 LEU 22 3.773 -2.065 -0.726
148 H GLU 23 H GLU 23 -0.817 -4.559 -2.414
149 HA GLU 23 HA GLU 23 -3.374 -3.163 -2.164
150 HB3 GLU 23 2HB GLU 23 -2.276 -3.045 -4.252
151 HG3 GLU 23 2HG GLU 23 -2.257 -6.068 -4.260
152 H LYS 24 H LYS 24 -2.193 -6.357 -1.591
153 HA LYS 24 HA LYS 24 -4.642 -7.759 -1.377
154 HB3 LYS 24 2HB LYS 24 -2.745 -8.274 0.793
155 HG3 LYS 24 2HG LYS 24 -4.402 -9.843 -0.748
156 HD3 LYS 24 2HD LYS 24 -2.853 -11.424 -1.946
157 HE3 LYS 24 2HE LYS 24 -2.150 -9.885 -3.874
158 HZ1 LYS 24 3HZ LYS 24 -4.347 -9.619 -4.646
159 HZ2 LYS 24 1HZ LYS 24 -4.995 -9.799 -3.119
160 HZ3 LYS 24 2HZ LYS 24 -4.249 -11.039 -3.817
161 H GLU 25 H GLU 25 -2.880 -5.916 1.189
162 HA GLU 25 HA GLU 25 -5.101 -5.864 2.939
163 HB3 GLU 25 2HB GLU 25 -3.654 -3.683 3.740
164 HG3 GLU 25 2HG GLU 25 -2.029 -5.403 4.804
165 H PHE 26 H PHE 26 -4.545 -3.860 0.142
166 HA PHE 26 HA PHE 26 -6.193 -1.651 1.191
167 HB3 PHE 26 2HB PHE 26 -5.099 -1.961 -1.619
168 HD1 PHE 26 1HD PHE 26 -5.462 0.727 1.004
169 HD2 PHE 26 2HD PHE 26 -6.402 -0.534 -2.996
170 HE1 PHE 26 1HE PHE 26 -6.618 2.875 0.607
171 HE2 PHE 26 2HE PHE 26 -7.596 1.603 -3.393
172 HZ PHE 26 HZ PHE 26 -7.707 3.318 -1.601
173 H HIS 27 H HIS 27 -6.933 -4.676 0.059
174 HA HIS 27 HA HIS 27 -9.137 -4.031 -1.687
175 HB3 HIS 27 2HB HIS 27 -8.900 -6.524 0.002
176 HD1 HIS 27 1HD HIS 27 -11.652 -6.745 -0.621
177 HD2 HIS 27 2HD HIS 27 -8.908 -6.424 -3.819
178 HE1 HIS 27 1HE HIS 27 -12.890 -7.430 -2.683
179 H CYS 28 H CYS 28 -8.912 -4.928 1.823
180 HA CYS 28 HA CYS 28 -11.574 -3.785 2.352
181 HB3 CYS 28 2HB CYS 28 -11.149 -4.474 4.671
182 HG CYS 28 HG CYS 28 -10.187 -6.830 2.594
183 H LYS 29 H LYS 29 -8.182 -3.312 3.671
184 HA LYS 29 HA LYS 29 -9.405 -1.307 5.280
185 HB3 LYS 29 2HB LYS 29 -7.343 -1.147 6.450
186 HG3 LYS 29 2HG LYS 29 -7.662 -4.083 5.673
187 HD3 LYS 29 2HD LYS 29 -6.798 -2.741 8.262
188 HE3 LYS 29 2HE LYS 29 -8.001 -5.054 8.480
189 HZ1 LYS 29 3HZ LYS 29 -6.231 -6.849 8.369
190 HZ2 LYS 29 1HZ LYS 29 -5.336 -5.842 7.446
191 HZ3 LYS 29 2HZ LYS 29 -6.750 -6.358 6.897
192 H LYS 30 H LYS 30 -9.520 0.838 5.005
193 HA LYS 30 HA LYS 30 -8.303 2.034 2.578
194 HB3 LYS 30 2HB LYS 30 -9.715 4.049 3.402
195 HG3 LYS 30 2HG LYS 30 -11.939 2.877 2.834
196 HD3 LYS 30 2HD LYS 30 -9.582 2.716 0.899
197 HE3 LYS 30 2HE LYS 30 -11.311 2.973 -0.855
198 HZ1 LYS 30 3HZ LYS 30 -11.922 0.478 0.587
199 HZ2 LYS 30 1HZ LYS 30 -10.483 0.717 -0.131
200 HZ3 LYS 30 2HZ LYS 30 -11.893 0.764 -1.014
201 H TYR 31 H TYR 31 -8.193 2.396 6.158
202 HA TYR 31 HA TYR 31 -5.665 3.836 5.868
203 HB3 TYR 31 2HB TYR 31 -7.109 5.704 5.656
204 HD1 TYR 31 1HD TYR 31 -7.524 5.511 9.322
205 HD2 TYR 31 2HD TYR 31 -9.572 5.440 5.529
206 HE1 TYR 31 1HE TYR 31 -9.658 6.051 10.462
207 HE2 TYR 31 2HE TYR 31 -11.693 6.017 6.650
208 HH TYR 31 HH TYR 31 -12.763 6.067 8.972
209 H LEU 32 H LEU 32 -4.511 2.486 6.961
210 HA LEU 32 HA LEU 32 -5.388 1.054 9.252
211 HB3 LEU 32 2HB LEU 32 -3.035 0.559 9.577
212 HG LEU 32 HG LEU 32 -2.546 -0.700 7.777
213 HD11 LEU 32 1HD1 LEU 32 -4.566 -1.634 6.789
214 HD12 LEU 32 2HD1 LEU 32 -5.521 -0.262 7.377
215 HD13 LEU 32 3HD1 LEU 32 -4.754 -1.379 8.526
216 HD21 LEU 32 3HD2 LEU 32 -2.319 1.256 6.214
217 HD22 LEU 32 1HD2 LEU 32 -4.045 1.058 5.809
218 HD23 LEU 32 2HD2 LEU 32 -2.900 -0.241 5.490
219 H SER 33 H SER 33 -5.636 1.622 11.179
220 HA SER 33 HA SER 33 -5.051 4.183 12.354
221 HB3 SER 33 2HB SER 33 -5.680 1.489 13.629
222 HG SER 33 HG SER 33 -6.351 4.148 14.444
223 H LEU 34 H LEU 34 -3.765 4.012 14.598
224 HA LEU 34 HA LEU 34 -1.035 3.852 13.878
225 HB3 LEU 34 2HB LEU 34 -1.462 3.671 16.782
226 HG LEU 34 HG LEU 34 -0.612 5.950 14.946
227 HD11 LEU 34 1HD1 LEU 34 -0.470 5.772 17.989
228 HD12 LEU 34 2HD1 LEU 34 -1.608 6.768 17.068
229 HD13 LEU 34 3HD1 LEU 34 0.127 7.106 16.983
230 HD21 LEU 34 3HD2 LEU 34 1.045 4.100 14.986
231 HD22 LEU 34 1HD2 LEU 34 1.057 4.145 16.763
232 HD23 LEU 34 2HD2 LEU 34 1.661 5.526 15.830
233 H THR 35 H THR 35 -3.036 1.604 15.733
234 HA THR 35 HA THR 35 -0.932 -0.277 16.223
235 HB THR 35 HB THR 35 -3.122 0.148 17.489
236 HG1 THR 35 1HG THR 35 -2.444 -1.430 18.481
237 HG21 THR 35 3HG2 THR 35 -4.255 -1.957 15.645
238 HG22 THR 35 1HG2 THR 35 -4.707 -0.232 15.604
239 HG23 THR 35 2HG2 THR 35 -5.030 -1.203 17.045
240 H GLU 36 H GLU 36 -3.548 -0.162 13.737
241 HA GLU 36 HA GLU 36 -2.984 -2.664 12.610
242 HB3 GLU 36 2HB GLU 36 -4.244 -1.967 10.672
243 HG3 GLU 36 2HG GLU 36 -6.300 -1.384 11.728
244 H ARG 37 H ARG 37 -1.742 0.587 11.861
245 HA ARG 37 HA ARG 37 -0.503 -0.096 9.435
246 HB3 ARG 37 2HB ARG 37 0.169 2.109 11.420
247 HG3 ARG 37 2HG ARG 37 0.799 2.044 8.434
248 HD3 ARG 37 2HD ARG 37 0.464 4.265 9.077
249 HE ARG 37 HE ARG 37 2.073 3.535 11.500
250 HH11 ARG 37 1HH1 ARG 37 0.185 6.227 9.962
251 HH12 ARG 37 2HH1 ARG 37 0.562 7.250 11.336
252 HH21 ARG 37 1HH2 ARG 37 2.664 5.097 13.000
253 HH22 ARG 37 2HH2 ARG 37 1.750 6.586 13.084
254 H SER 38 H SER 38 0.561 -0.379 12.741
255 HA SER 38 HA SER 38 3.313 -0.970 12.404
256 HB3 SER 38 2HB SER 38 1.570 -2.298 14.516
257 HG SER 38 HG SER 38 3.839 -0.624 14.713
258 H GLN 39 H GLN 39 0.324 -3.019 12.278
259 HA GLN 39 HA GLN 39 1.639 -5.540 12.328
260 HB3 GLN 39 2HB GLN 39 -0.405 -6.499 11.509
261 HG3 GLN 39 2HG GLN 39 -1.520 -4.187 13.107
262 HE21 GLN 39 1HE2 GLN 39 -3.814 -5.043 12.758
263 HE22 GLN 39 2HE2 GLN 39 -4.172 -6.625 13.375
264 H ILE 40 H ILE 40 0.335 -3.699 9.549
265 HA ILE 40 HA ILE 40 1.446 -5.332 7.535
266 HB ILE 40 HB ILE 40 0.846 -2.347 7.450
267 HG13 ILE 40 2HG1 ILE 40 -1.123 -3.609 8.123
268 HG21 ILE 40 1HG2 ILE 40 1.081 -4.327 5.138
269 HG22 ILE 40 2HG2 ILE 40 0.685 -2.605 4.987
270 HG23 ILE 40 3HG2 ILE 40 2.281 -3.082 5.526
271 HD11 ILE 40 3HD1 ILE 40 -1.383 -1.841 6.285
272 HD12 ILE 40 1HD1 ILE 40 -1.539 -3.182 5.154
273 HD13 ILE 40 2HD1 ILE 40 -2.697 -3.011 6.486
274 H ALA 41 H ALA 41 2.900 -2.436 9.162
275 HA ALA 41 HA ALA 41 5.124 -2.306 7.393
276 HB1 ALA 41 1HB ALA 41 6.172 -0.880 9.067
277 HB2 ALA 41 2HB ALA 41 4.466 -0.438 8.874
278 HB3 ALA 41 3HB ALA 41 4.983 -1.384 10.294
279 H HIS 42 H HIS 42 4.731 -4.018 10.533
280 HA HIS 42 HA HIS 42 7.450 -4.996 10.561
281 HB3 HIS 42 2HB HIS 42 6.615 -6.438 12.373
282 HD1 HIS 42 1HD HIS 42 5.012 -4.992 14.691
283 HD2 HIS 42 2HD HIS 42 7.416 -3.076 11.835
284 HE1 HIS 42 1HE HIS 42 5.779 -2.799 15.734
285 H ALA 43 H ALA 43 4.281 -6.547 9.745
286 HA ALA 43 HA ALA 43 5.275 -9.095 9.147
287 HB1 ALA 43 1HB ALA 43 2.917 -7.630 7.877
288 HB2 ALA 43 2HB ALA 43 3.189 -9.384 7.863
289 HB3 ALA 43 3HB ALA 43 2.874 -8.554 9.398
290 H LEU 44 H LEU 44 5.216 -6.163 7.139
291 HA LEU 44 HA LEU 44 6.361 -7.683 4.867
292 HB3 LEU 44 2HB LEU 44 5.747 -5.752 3.511
293 HG LEU 44 HG LEU 44 3.361 -6.567 5.220
294 HD11 LEU 44 1HD1 LEU 44 3.558 -5.613 2.331
295 HD12 LEU 44 2HD1 LEU 44 3.062 -4.607 3.707
296 HD13 LEU 44 3HD1 LEU 44 2.071 -5.996 3.236
297 HD21 LEU 44 3HD2 LEU 44 3.016 -8.301 3.441
298 HD22 LEU 44 1HD2 LEU 44 4.422 -8.613 4.432
299 HD23 LEU 44 2HD2 LEU 44 4.635 -7.923 2.805
300 H LYS 45 H LYS 45 7.854 -6.407 7.380
301 HA LYS 45 HA LYS 45 9.715 -5.210 7.795
302 HB3 LYS 45 2HB LYS 45 10.568 -7.295 6.886
303 HG3 LYS 45 2HG LYS 45 11.430 -5.850 4.402
304 HD3 LYS 45 2HD LYS 45 12.893 -7.727 5.356
305 HE3 LYS 45 2HE LYS 45 10.361 -9.265 4.601
306 HZ1 LYS 45 3HZ LYS 45 12.915 -10.502 5.414
307 HZ2 LYS 45 1HZ LYS 45 12.443 -10.346 3.837
308 HZ3 LYS 45 2HZ LYS 45 11.545 -11.232 4.848
309 H LEU 46 H LEU 46 7.847 -3.611 6.606
310 HA LEU 46 HA LEU 46 9.409 -1.647 5.013
311 HB3 LEU 46 2HB LEU 46 7.083 -0.549 4.825
312 HG LEU 46 HG LEU 46 7.334 -3.317 3.696
313 HD11 LEU 46 1HD1 LEU 46 5.035 -2.497 3.571
314 HD12 LEU 46 2HD1 LEU 46 5.745 -2.580 1.965
315 HD13 LEU 46 3HD1 LEU 46 5.590 -1.002 2.771
316 HD21 LEU 46 3HD2 LEU 46 9.237 -2.088 2.936
317 HD22 LEU 46 1HD2 LEU 46 8.239 -0.651 2.552
318 HD23 LEU 46 2HD2 LEU 46 8.096 -2.149 1.603
319 H SER 47 H SER 47 8.172 0.535 5.834
320 HA SER 47 HA SER 47 8.499 0.736 8.772
321 HB3 SER 47 2HB SER 47 9.632 2.921 8.519
322 HG SER 47 HG SER 47 11.272 1.691 8.709
323 H GLU 48 H GLU 48 7.221 2.430 9.690
324 HA GLU 48 HA GLU 48 4.615 2.491 8.846
325 HB3 GLU 48 2HB GLU 48 4.445 4.604 10.277
326 HG3 GLU 48 2HG GLU 48 5.816 2.130 11.407
327 H VAL 49 H VAL 49 7.147 4.731 7.862
328 HA VAL 49 HA VAL 49 5.517 6.768 6.585
329 HB VAL 49 HB VAL 49 8.479 6.057 6.572
330 HG11 VAL 49 1HG1 VAL 49 8.847 8.173 5.262
331 HG12 VAL 49 2HG1 VAL 49 8.121 6.894 4.306
332 HG13 VAL 49 3HG1 VAL 49 7.111 8.232 4.919
333 HG21 VAL 49 3HG2 VAL 49 6.898 8.521 7.429
334 HG22 VAL 49 1HG2 VAL 49 7.486 7.246 8.537
335 HG23 VAL 49 2HG2 VAL 49 8.644 8.265 7.663
336 H GLN 50 H GLN 50 7.535 4.041 5.411
337 HA GLN 50 HA GLN 50 7.030 4.417 2.677
338 HB3 GLN 50 2HB GLN 50 7.729 1.982 2.529
339 HG3 GLN 50 2HG GLN 50 9.726 1.897 4.144
340 HE21 GLN 50 1HE2 GLN 50 10.994 1.577 2.309
341 HE22 GLN 50 2HE2 GLN 50 11.392 2.874 1.217
342 H VAL 51 H VAL 51 5.253 2.625 5.198
343 HA VAL 51 HA VAL 51 3.379 1.500 3.255
344 HB VAL 51 HB VAL 51 2.994 1.725 6.279
345 HG11 VAL 51 1HG1 VAL 51 1.739 0.074 4.028
346 HG12 VAL 51 2HG1 VAL 51 1.583 -0.341 5.731
347 HG13 VAL 51 3HG1 VAL 51 0.942 1.215 5.155
348 HG21 VAL 51 3HG2 VAL 51 4.146 -0.594 4.647
349 HG22 VAL 51 1HG2 VAL 51 5.082 0.417 5.768
350 HG23 VAL 51 2HG2 VAL 51 3.799 -0.608 6.384
351 H LYS 52 H LYS 52 3.257 4.227 5.599
352 HA LYS 52 HA LYS 52 0.671 5.162 5.123
353 HB3 LYS 52 2HB LYS 52 3.276 6.495 5.893
354 HG3 LYS 52 2HG LYS 52 0.549 7.838 5.879
355 HD3 LYS 52 2HD LYS 52 3.097 8.254 7.474
356 HE3 LYS 52 2HE LYS 52 1.172 10.454 6.621
357 HZ1 LYS 52 3HZ LYS 52 2.671 11.806 8.048
358 HZ2 LYS 52 1HZ LYS 52 3.409 10.448 8.578
359 HZ3 LYS 52 2HZ LYS 52 1.824 10.730 8.931
360 H ILE 53 H ILE 53 3.666 6.200 3.347
361 HA ILE 53 HA ILE 53 2.289 8.016 1.643
362 HB ILE 53 HB ILE 53 4.921 6.462 1.291
363 HG13 ILE 53 2HG1 ILE 53 4.828 7.970 3.306
364 HG21 ILE 53 1HG2 ILE 53 3.969 8.933 -0.255
365 HG22 ILE 53 2HG2 ILE 53 5.556 8.143 -0.408
366 HG23 ILE 53 3HG2 ILE 53 4.126 7.292 -0.928
367 HD11 ILE 53 3HD1 ILE 53 6.673 9.409 2.932
368 HD12 ILE 53 1HD1 ILE 53 6.986 7.912 2.016
369 HD13 ILE 53 2HD1 ILE 53 6.454 9.398 1.184
370 H TRP 54 H TRP 54 2.981 4.467 1.167
371 HA TRP 54 HA TRP 54 1.917 4.517 -1.509
372 HB3 TRP 54 2HB TRP 54 2.055 2.154 0.378
373 HD1 TRP 54 HD TRP 54 3.120 2.387 -3.316
374 HE1 TRP 54 1HE TRP 54 1.921 0.537 -4.604
375 HE3 TRP 54 3HE TRP 54 -0.365 1.159 0.186
376 HZ2 TRP 54 2HZ TRP 54 -0.493 -1.057 -4.262
377 HZ3 TRP 54 3HZ TRP 54 -2.218 -0.337 -0.365
378 HH2 TRP 54 HH TRP 54 -2.347 -1.401 -2.617
379 H PHE 55 H PHE 55 0.375 3.628 1.650
380 HA PHE 55 HA PHE 55 -2.218 3.125 0.485
381 HB3 PHE 55 2HB PHE 55 -2.929 3.756 2.965
382 HD1 PHE 55 2HD PHE 55 0.007 1.417 2.705
383 HD2 PHE 55 1HD PHE 55 -4.295 1.820 2.753
384 HE1 PHE 55 2HE PHE 55 -0.232 -1.045 2.738
385 HE2 PHE 55 1HE PHE 55 -4.504 -0.660 2.779
386 HZ PHE 55 HZ PHE 55 -2.470 -2.071 2.705
387 H GLN 56 H GLN 56 -0.635 6.146 1.541
388 HA GLN 56 HA GLN 56 -2.852 7.916 1.339
389 HB3 GLN 56 2HB GLN 56 -0.929 9.530 0.706
390 HG3 GLN 56 2HG GLN 56 0.374 8.797 3.031
391 HE21 GLN 56 1HE2 GLN 56 0.374 11.111 2.226
392 HE22 GLN 56 2HE2 GLN 56 -0.717 12.157 3.085
393 H ASN 57 H ASN 57 -0.551 6.633 -1.108
394 HA ASN 57 HA ASN 57 -1.503 8.283 -3.257
395 HB3 ASN 57 2HB ASN 57 -0.439 5.985 -4.432
396 HD21 ASN 57 1HD2 ASN 57 2.376 7.108 -3.135
397 HD22 ASN 57 2HD2 ASN 57 2.620 8.498 -4.144
398 H ARG 58 H ARG 58 -2.057 4.887 -2.400
399 HA ARG 58 HA ARG 58 -4.058 4.356 -4.364
400 HB3 ARG 58 2HB ARG 58 -4.586 2.509 -2.442
401 HG3 ARG 58 2HG ARG 58 -2.070 1.681 -3.129
402 HD3 ARG 58 2HD ARG 58 -4.426 1.601 -5.067
403 HE ARG 58 HE ARG 58 -1.851 0.827 -5.603
404 HH11 ARG 58 1HH1 ARG 58 -4.917 -1.173 -5.371
405 HH12 ARG 58 2HH1 ARG 58 -4.085 -2.511 -6.113
406 HH21 ARG 58 1HH2 ARG 58 -1.032 -1.045 -6.754
407 HH22 ARG 58 2HH2 ARG 58 -2.042 -2.450 -6.826
408 H ARG 59 H ARG 59 -4.395 5.691 -1.015
409 HA ARG 59 HA ARG 59 -7.242 5.873 -1.143
410 HB3 ARG 59 2HB ARG 59 -6.774 7.934 0.443
411 HG3 ARG 59 2HG ARG 59 -6.067 5.093 1.285
412 HD3 ARG 59 2HD ARG 59 -7.456 6.113 3.327
413 HE ARG 59 HE ARG 59 -5.347 5.220 3.722
414 HH11 ARG 59 1HH1 ARG 59 -5.258 8.744 3.116
415 HH12 ARG 59 2HH1 ARG 59 -3.700 8.982 3.809
416 HH21 ARG 59 1HH2 ARG 59 -3.455 5.705 5.165
417 HH22 ARG 59 2HH2 ARG 59 -2.983 7.350 5.291
418 H ALA 60 H ALA 60 -4.715 8.257 -2.222
419 HA ALA 60 HA ALA 60 -6.427 10.384 -2.678
420 HB1 ALA 60 1HB ALA 60 -4.736 11.225 -4.238
421 HB2 ALA 60 2HB ALA 60 -3.957 10.513 -2.809
422 HB3 ALA 60 3HB ALA 60 -3.985 9.623 -4.342
423 H LYS 61 H LYS 61 -5.409 7.944 -5.116
424 HA LYS 61 HA LYS 61 -7.198 8.760 -7.137
425 HB3 LYS 61 2HB LYS 61 -6.284 5.910 -6.580
426 HG3 LYS 61 2HG LYS 61 -7.000 7.387 -9.159
427 HD3 LYS 61 2HD LYS 61 -5.263 5.382 -9.132
428 HE3 LYS 61 2HE LYS 61 -7.987 4.016 -8.982
429 HZ1 LYS 61 3HZ LYS 61 -6.598 2.028 -9.580
430 HZ2 LYS 61 1HZ LYS 61 -5.464 3.077 -10.173
431 HZ3 LYS 61 2HZ LYS 61 -6.946 3.060 -10.830
432 H TRP 62 H TRP 62 -7.824 6.564 -4.338
433 HA TRP 62 HA TRP 62 -10.414 5.727 -5.306
434 HB3 TRP 62 2HB TRP 62 -9.055 5.695 -2.608
435 HD1 TRP 62 HD TRP 62 -12.209 3.880 -3.927
436 HE1 TRP 62 1HE TRP 62 -14.031 3.993 -2.191
437 HE3 TRP 62 3HE TRP 62 -9.806 6.849 -0.561
438 HZ2 TRP 62 2HZ TRP 62 -14.425 5.259 0.431
439 HZ3 TRP 62 3HZ TRP 62 -10.945 7.502 1.586
440 HH2 TRP 62 HH TRP 62 -13.226 6.692 2.076
441 H LYS 63 H LYS 63 -9.288 8.601 -3.441
442 HA LYS 63 HA LYS 63 -11.898 9.276 -2.579
443 HB3 LYS 63 2HB LYS 63 -10.968 11.558 -2.142
444 HG3 LYS 63 2HG LYS 63 -9.118 9.364 -1.134
445 HD3 LYS 63 2HD LYS 63 -10.265 11.860 0.133
446 HE3 LYS 63 2HE LYS 63 -8.674 9.545 1.321
447 HZ1 LYS 63 3HZ LYS 63 -8.812 10.949 3.359
448 HZ2 LYS 63 1HZ LYS 63 -9.310 12.200 2.431
449 HZ3 LYS 63 2HZ LYS 63 -7.821 11.537 2.206
450 H ARG 64 H ARG 64 -10.423 9.862 -5.710
451 HA ARG 64 HA ARG 64 -12.588 11.684 -6.502
452 HB3 ARG 64 2HB ARG 64 -10.578 12.254 -7.445
453 HG3 ARG 64 2HG ARG 64 -10.319 9.380 -8.275
454 HD3 ARG 64 2HD ARG 64 -8.037 10.358 -9.214
455 HE ARG 64 HE ARG 64 -9.509 9.167 -10.664
456 HH11 ARG 64 1HH1 ARG 64 -10.036 12.707 -10.812
457 HH12 ARG 64 2HH1 ARG 64 -11.193 12.545 -12.103
458 HH21 ARG 64 1HH2 ARG 64 -10.900 9.046 -12.433
459 HH22 ARG 64 2HH2 ARG 64 -11.382 10.516 -13.223
460 H ILE 65 H ILE 65 -12.390 8.423 -6.113
461 HA ILE 65 HA ILE 65 -14.352 7.761 -8.244
462 HB ILE 65 HB ILE 65 -12.628 5.966 -6.484
463 HG13 ILE 65 2HG1 ILE 65 -11.407 7.302 -8.269
464 HG21 ILE 65 1HG2 ILE 65 -14.663 4.761 -7.060
465 HG22 ILE 65 2HG2 ILE 65 -14.496 5.217 -8.771
466 HG23 ILE 65 3HG2 ILE 65 -13.351 4.098 -8.003
467 HD11 ILE 65 3HD1 ILE 65 -10.077 5.516 -9.065
468 HD12 ILE 65 1HD1 ILE 65 -10.605 5.033 -7.451
469 HD13 ILE 65 2HD1 ILE 65 -11.376 4.336 -8.897
470 H LYS 66 H LYS 66 -13.951 7.764 -4.712
471 HA LYS 66 HA LYS 66 -16.412 6.408 -4.126
472 HB3 LYS 66 2HB LYS 66 -14.429 6.906 -2.562
473 HG3 LYS 66 2HG LYS 66 -16.048 9.401 -1.919
474 HD3 LYS 66 2HD LYS 66 -13.271 8.551 -1.182
475 HE3 LYS 66 2HE LYS 66 -12.953 10.614 -0.118
476 HZ1 LYS 66 3HZ LYS 66 -13.635 11.326 -2.468
477 HZ2 LYS 66 1HZ LYS 66 -13.941 12.461 -1.296
478 HZ3 LYS 66 2HZ LYS 66 -15.144 11.551 -1.863
479 H ALA 67 H ALA 67 -18.239 7.076 -4.951
480 HA ALA 67 HA ALA 67 -19.993 8.261 -5.681
481 HB1 ALA 67 1HB ALA 67 -19.965 9.345 -3.436
482 HB2 ALA 67 2HB ALA 67 -18.997 10.662 -4.127
483 HB3 ALA 67 3HB ALA 67 -20.641 10.338 -4.733
484 H GLY 68 H GLY 68 -16.972 10.125 -5.881
485 HA2 GLY 68 1HA GLY 68 -15.985 11.223 -7.682
486 HA3 GLY 68 2HA GLY 68 -17.323 10.739 -8.735
487 H ASN 69 H ASN 69 -16.040 13.484 -7.959
488 HA ASN 69 HA ASN 69 -18.341 14.899 -8.369
489 HB3 ASN 69 2HB ASN 69 -17.350 16.041 -5.803
490 HD21 ASN 69 1HD2 ASN 69 -20.319 14.726 -5.140
491 HD22 ASN 69 2HD2 ASN 69 -21.357 15.945 -5.844
492 H VAL 70 H VAL 70 -17.801 17.044 -8.925
493 HA VAL 70 HA VAL 70 -14.960 17.850 -8.596
494 HB VAL 70 HB VAL 70 -15.703 17.112 -10.898
495 HG11 VAL 70 1HG1 VAL 70 -17.914 18.197 -11.013
496 HG12 VAL 70 2HG1 VAL 70 -17.128 19.789 -10.994
497 HG13 VAL 70 3HG1 VAL 70 -16.867 18.680 -12.345
498 HG21 VAL 70 3HG2 VAL 70 -14.375 18.719 -12.053
499 HG22 VAL 70 1HG2 VAL 70 -14.575 19.913 -10.761
500 HG23 VAL 70 2HG2 VAL 70 -13.657 18.416 -10.473
501 H SER 71 H SER 71 -18.111 18.602 -7.756
502 HA SER 71 HA SER 71 -17.669 21.471 -7.352
503 HB3 SER 71 2HB SER 71 -19.747 21.208 -5.891
504 HG SER 71 HG SER 71 -19.918 21.942 -7.950
Start of MODEL 15
1 H1 SER 1 H SER 1 2.457 -2.347 -14.905
2 HA SER 1 HA SER 1 0.786 -4.457 -16.095
3 HB3 SER 1 2HB SER 1 -0.363 -1.789 -15.301
4 HG SER 1 HG SER 1 -1.621 -3.443 -16.469
5 H ALA 2 H ALA 2 1.050 -0.802 -16.623
6 HA ALA 2 HA ALA 2 0.969 -1.082 -19.480
7 HB1 ALA 2 1HB ALA 2 0.348 1.000 -18.453
8 HB2 ALA 2 2HB ALA 2 1.897 1.119 -17.593
9 HB3 ALA 2 3HB ALA 2 1.839 1.305 -19.347
10 HA PRO 3 HA PRO 3 5.007 -2.458 -20.387
11 HB3 PRO 3 2HB PRO 3 4.791 -2.141 -22.618
12 HG3 PRO 3 2HG PRO 3 3.457 -0.353 -23.455
13 HD3 PRO 3 2HD PRO 3 2.160 -1.380 -21.761
14 H GLY 4 H GLY 4 7.361 -1.972 -20.339
15 HA2 GLY 4 1HA GLY 4 9.155 -1.244 -19.143
16 HA3 GLY 4 2HA GLY 4 8.514 0.383 -19.405
17 H GLY 5 H GLY 5 6.494 -1.765 -17.535
18 HA2 GLY 5 1HA GLY 5 6.450 0.101 -15.344
19 HA3 GLY 5 2HA GLY 5 5.577 -1.437 -15.463
20 H LYS 6 H LYS 6 6.533 -0.719 -13.029
21 HA LYS 6 HA LYS 6 8.804 -2.562 -12.535
22 HB3 LYS 6 2HB LYS 6 9.913 -0.502 -12.576
23 HG3 LYS 6 2HG LYS 6 7.783 0.778 -10.790
24 HD3 LYS 6 2HD LYS 6 10.370 1.852 -11.976
25 HE3 LYS 6 2HE LYS 6 9.627 3.991 -10.804
26 HZ1 LYS 6 3HZ LYS 6 9.385 3.975 -13.156
27 HZ2 LYS 6 1HZ LYS 6 7.982 4.582 -12.549
28 HZ3 LYS 6 2HZ LYS 6 8.048 3.049 -13.120
29 H SER 7 H SER 7 7.477 -4.194 -11.602
30 HA SER 7 HA SER 7 6.656 -3.494 -8.901
31 HB3 SER 7 2HB SER 7 4.598 -2.929 -9.941
32 HG SER 7 HG SER 7 4.819 -4.090 -11.910
33 H ARG 8 H ARG 8 5.911 -5.464 -7.714
34 HA ARG 8 HA ARG 8 6.261 -7.518 -6.860
35 HB3 ARG 8 2HB ARG 8 6.309 -9.457 -8.431
36 HG3 ARG 8 2HG ARG 8 4.227 -7.366 -8.415
37 HD3 ARG 8 2HD ARG 8 4.328 -9.242 -10.817
38 HE ARG 8 HE ARG 8 2.309 -7.127 -10.550
39 HH11 ARG 8 1HH1 ARG 8 2.913 -10.620 -10.081
40 HH12 ARG 8 2HH1 ARG 8 1.230 -11.022 -10.146
41 HH21 ARG 8 1HH2 ARG 8 0.140 -7.698 -10.599
42 HH22 ARG 8 2HH2 ARG 8 -0.403 -9.307 -10.194
43 H ARG 9 H ARG 9 7.991 -9.541 -7.059
44 HA ARG 9 HA ARG 9 10.039 -10.260 -6.559
45 HB3 ARG 9 2HB ARG 9 10.645 -8.213 -8.637
46 HG3 ARG 9 2HG ARG 9 12.890 -9.533 -7.082
47 HD3 ARG 9 2HD ARG 9 14.261 -8.283 -8.866
48 HE ARG 9 HE ARG 9 14.354 -10.644 -8.858
49 HH11 ARG 9 1HH1 ARG 9 11.990 -9.438 -11.326
50 HH12 ARG 9 2HH1 ARG 9 12.013 -10.961 -12.138
51 HH21 ARG 9 1HH2 ARG 9 14.385 -12.495 -10.078
52 HH22 ARG 9 2HH2 ARG 9 13.347 -12.709 -11.450
53 H ARG 10 H ARG 10 11.583 -10.138 -4.954
54 HA ARG 10 HA ARG 10 11.337 -8.273 -2.957
55 HB3 ARG 10 2HB ARG 10 13.869 -9.809 -3.142
56 HG3 ARG 10 2HG ARG 10 11.863 -9.405 -0.871
57 HD3 ARG 10 2HD ARG 10 14.549 -10.745 -1.062
58 HE ARG 10 HE ARG 10 14.295 -8.756 0.728
59 HH11 ARG 10 1HH1 ARG 10 14.497 -12.302 1.161
60 HH12 ARG 10 2HH1 ARG 10 15.477 -12.175 2.577
61 HH21 ARG 10 1HH2 ARG 10 15.564 -8.632 2.524
62 HH22 ARG 10 2HH2 ARG 10 16.037 -10.016 3.439
63 H ARG 11 H ARG 11 12.095 -6.715 -5.490
64 HA ARG 11 HA ARG 11 14.190 -5.069 -4.361
65 HB3 ARG 11 2HB ARG 11 14.641 -6.454 -7.061
66 HG3 ARG 11 2HG ARG 11 16.432 -4.830 -5.214
67 HD3 ARG 11 2HD ARG 11 17.304 -6.230 -7.775
68 HE ARG 11 HE ARG 11 19.060 -4.900 -7.156
69 HH11 ARG 11 1HH1 ARG 11 17.842 -6.542 -4.238
70 HH12 ARG 11 2HH1 ARG 11 19.052 -5.868 -3.196
71 HH21 ARG 11 1HH2 ARG 11 20.929 -4.479 -5.915
72 HH22 ARG 11 2HH2 ARG 11 20.947 -4.812 -4.216
73 H THR 12 H THR 12 14.324 -3.068 -5.559
74 HA THR 12 HA THR 12 13.430 -1.256 -6.419
75 HB THR 12 HB THR 12 11.710 -2.781 -8.313
76 HG1 THR 12 1HG THR 12 13.463 -3.704 -9.017
77 HG21 THR 12 3HG2 THR 12 12.237 -0.973 -9.868
78 HG22 THR 12 1HG2 THR 12 13.300 -0.222 -8.658
79 HG23 THR 12 2HG2 THR 12 11.540 -0.331 -8.370
80 H ALA 13 H ALA 13 12.153 -0.192 -5.350
81 HA ALA 13 HA ALA 13 10.785 0.462 -3.667
82 HB1 ALA 13 1HB ALA 13 9.866 1.261 -5.783
83 HB2 ALA 13 2HB ALA 13 8.748 -0.125 -5.787
84 HB3 ALA 13 3HB ALA 13 8.658 1.097 -4.505
85 H PHE 14 H PHE 14 8.904 -2.428 -4.877
86 HA PHE 14 HA PHE 14 8.252 -3.061 -2.073
87 HB3 PHE 14 2HB PHE 14 6.030 -3.612 -2.604
88 HD1 PHE 14 2HD PHE 14 6.030 -1.621 -0.963
89 HD2 PHE 14 1HD PHE 14 6.532 -1.160 -5.163
90 HE1 PHE 14 2HE PHE 14 5.576 0.790 -0.718
91 HE2 PHE 14 1HE PHE 14 6.001 1.327 -4.980
92 HZ PHE 14 HZ PHE 14 5.526 2.268 -2.761
93 H THR 15 H THR 15 6.747 -5.498 -2.676
94 HA THR 15 HA THR 15 8.275 -6.949 -4.628
95 HB THR 15 HB THR 15 9.210 -8.621 -3.378
96 HG1 THR 15 1HG THR 15 8.446 -9.184 -1.253
97 HG21 THR 15 3HG2 THR 15 10.169 -7.800 -1.190
98 HG22 THR 15 1HG2 THR 15 9.014 -6.485 -1.201
99 HG23 THR 15 2HG2 THR 15 10.279 -6.533 -2.429
100 H SER 16 H SER 16 7.288 -9.388 -4.744
101 HA SER 16 HA SER 16 4.551 -8.984 -5.431
102 HB3 SER 16 2HB SER 16 4.644 -11.184 -6.175
103 HG SER 16 HG SER 16 6.891 -11.815 -6.581
104 H GLU 17 H GLU 17 6.180 -10.025 -2.527
105 HA GLU 17 HA GLU 17 3.839 -11.192 -1.209
106 HB3 GLU 17 2HB GLU 17 5.548 -11.029 0.755
107 HG3 GLU 17 2HG GLU 17 5.987 -12.610 -1.781
108 H GLN 18 H GLN 18 5.926 -8.237 -0.919
109 HA GLN 18 HA GLN 18 4.324 -7.162 1.185
110 HB3 GLN 18 2HB GLN 18 5.715 -5.103 0.739
111 HG3 GLN 18 2HG GLN 18 7.389 -7.656 0.640
112 HE21 GLN 18 1HE2 GLN 18 8.723 -6.878 3.011
113 HE22 GLN 18 2HE2 GLN 18 9.820 -5.570 2.730
114 H LEU 19 H LEU 19 3.944 -6.974 -2.335
115 HA LEU 19 HA LEU 19 2.096 -4.700 -2.184
116 HB3 LEU 19 2HB LEU 19 1.684 -5.570 -4.639
117 HG LEU 19 HG LEU 19 4.408 -4.540 -3.723
118 HD11 LEU 19 1HD1 LEU 19 4.774 -3.916 -6.074
119 HD12 LEU 19 2HD1 LEU 19 3.354 -4.914 -6.525
120 HD13 LEU 19 3HD1 LEU 19 4.780 -5.665 -5.777
121 HD21 LEU 19 3HD2 LEU 19 2.022 -3.175 -5.061
122 HD22 LEU 19 1HD2 LEU 19 3.589 -2.402 -4.650
123 HD23 LEU 19 2HD2 LEU 19 2.527 -2.991 -3.377
124 H LEU 20 H LEU 20 1.818 -8.255 -2.621
125 HA LEU 20 HA LEU 20 -1.011 -8.268 -3.028
126 HB3 LEU 20 2HB LEU 20 0.847 -10.351 -1.803
127 HG LEU 20 HG LEU 20 -1.729 -10.758 -1.543
128 HD11 LEU 20 1HD1 LEU 20 -1.438 -11.181 -4.544
129 HD12 LEU 20 2HD1 LEU 20 -2.429 -9.933 -3.752
130 HD13 LEU 20 3HD1 LEU 20 -2.843 -11.637 -3.567
131 HD21 LEU 20 3HD2 LEU 20 0.153 -12.666 -2.925
132 HD22 LEU 20 1HD2 LEU 20 -1.387 -13.156 -2.213
133 HD23 LEU 20 2HD2 LEU 20 -0.129 -12.426 -1.194
134 H GLU 21 H GLU 21 1.029 -8.563 -0.081
135 HA GLU 21 HA GLU 21 -1.278 -8.960 1.604
136 HB3 GLU 21 2HB GLU 21 0.591 -8.597 3.378
137 HG3 GLU 21 2HG GLU 21 1.565 -10.809 2.953
138 H LEU 22 H LEU 22 0.118 -6.101 0.278
139 HA LEU 22 HA LEU 22 -0.808 -4.380 2.481
140 HB3 LEU 22 2HB LEU 22 -0.372 -2.839 0.125
141 HG LEU 22 HG LEU 22 0.402 -1.952 2.156
142 HD11 LEU 22 1HD1 LEU 22 2.308 -2.868 3.481
143 HD12 LEU 22 2HD1 LEU 22 2.231 -4.366 2.512
144 HD13 LEU 22 3HD1 LEU 22 0.898 -3.896 3.571
145 HD21 LEU 22 3HD2 LEU 22 2.454 -1.108 1.502
146 HD22 LEU 22 1HD2 LEU 22 1.890 -1.803 -0.039
147 HD23 LEU 22 2HD2 LEU 22 3.051 -2.683 0.974
148 H GLU 23 H GLU 23 -1.869 -5.235 -0.785
149 HA GLU 23 HA GLU 23 -4.193 -3.561 -0.653
150 HB3 GLU 23 2HB GLU 23 -3.127 -4.260 -2.755
151 HG3 GLU 23 2HG GLU 23 -3.648 -6.946 -1.698
152 H LYS 24 H LYS 24 -3.550 -6.717 0.689
153 HA LYS 24 HA LYS 24 -6.136 -7.750 1.072
154 HB3 LYS 24 2HB LYS 24 -4.611 -8.048 3.509
155 HG3 LYS 24 2HG LYS 24 -6.036 -9.795 2.113
156 HD3 LYS 24 2HD LYS 24 -4.281 -11.520 1.265
157 HE3 LYS 24 2HE LYS 24 -3.891 -10.136 -0.970
158 HZ1 LYS 24 3HZ LYS 24 -5.437 -11.901 -0.863
159 HZ2 LYS 24 1HZ LYS 24 -6.206 -10.652 -1.592
160 HZ3 LYS 24 2HZ LYS 24 -6.562 -11.022 -0.039
161 H GLU 25 H GLU 25 -4.343 -5.713 3.348
162 HA GLU 25 HA GLU 25 -6.490 -5.138 5.064
163 HB3 GLU 25 2HB GLU 25 -4.875 -3.055 5.609
164 HG3 GLU 25 2HG GLU 25 -3.059 -4.601 6.474
165 H PHE 26 H PHE 26 -5.520 -3.481 2.067
166 HA PHE 26 HA PHE 26 -7.014 -1.067 2.638
167 HB3 PHE 26 2HB PHE 26 -6.185 -2.144 -0.085
168 HD1 PHE 26 1HD PHE 26 -6.150 1.079 1.891
169 HD2 PHE 26 2HD PHE 26 -7.292 -0.872 -1.783
170 HE1 PHE 26 1HE PHE 26 -6.955 3.239 0.988
171 HE2 PHE 26 2HE PHE 26 -8.044 1.319 -2.703
172 HZ PHE 26 HZ PHE 26 -7.872 3.393 -1.315
173 H HIS 27 H HIS 27 -7.958 -4.228 1.682
174 HA HIS 27 HA HIS 27 -10.368 -3.558 0.273
175 HB3 HIS 27 2HB HIS 27 -10.064 -6.219 1.575
176 HD1 HIS 27 1HD HIS 27 -9.236 -5.628 -2.101
177 HD2 HIS 27 2HD HIS 27 -12.532 -6.571 0.357
178 HE1 HIS 27 1HE HIS 27 -11.110 -6.387 -3.657
179 H CYS 28 H CYS 28 -9.547 -3.389 3.618
180 HA CYS 28 HA CYS 28 -12.402 -2.803 4.218
181 HB3 CYS 28 2HB CYS 28 -11.852 -3.500 6.626
182 HG CYS 28 HG CYS 28 -13.729 -4.779 5.517
183 H LYS 29 H LYS 29 -9.103 -2.510 5.715
184 HA LYS 29 HA LYS 29 -9.800 -0.048 7.006
185 HB3 LYS 29 2HB LYS 29 -7.303 0.072 7.463
186 HG3 LYS 29 2HG LYS 29 -8.739 -2.551 8.001
187 HD3 LYS 29 2HD LYS 29 -6.398 -1.474 9.619
188 HE3 LYS 29 2HE LYS 29 -7.941 -4.082 9.349
189 HZ1 LYS 29 3HZ LYS 29 -5.574 -3.727 11.068
190 HZ2 LYS 29 1HZ LYS 29 -5.597 -4.544 9.606
191 HZ3 LYS 29 2HZ LYS 29 -6.507 -5.093 10.817
192 H LYS 30 H LYS 30 -8.721 1.932 6.727
193 HA LYS 30 HA LYS 30 -7.991 2.736 3.946
194 HB3 LYS 30 2HB LYS 30 -9.512 4.714 4.202
195 HG3 LYS 30 2HG LYS 30 -11.761 3.535 4.211
196 HD3 LYS 30 2HD LYS 30 -9.553 2.579 2.359
197 HE3 LYS 30 2HE LYS 30 -11.355 1.805 0.831
198 HZ1 LYS 30 3HZ LYS 30 -11.384 0.294 3.375
199 HZ2 LYS 30 1HZ LYS 30 -10.214 0.145 2.244
200 HZ3 LYS 30 2HZ LYS 30 -11.759 -0.281 1.893
201 H TYR 31 H TYR 31 -7.748 3.207 7.475
202 HA TYR 31 HA TYR 31 -5.443 5.014 7.024
203 HB3 TYR 31 2HB TYR 31 -6.061 5.966 9.287
204 HD1 TYR 31 1HD TYR 31 -9.094 5.826 7.084
205 HD2 TYR 31 2HD TYR 31 -5.708 8.115 8.448
206 HE1 TYR 31 1HE TYR 31 -9.907 7.763 5.791
207 HE2 TYR 31 2HE TYR 31 -6.551 10.103 7.198
208 HH TYR 31 HH TYR 31 -8.425 10.978 6.088
209 H LEU 32 H LEU 32 -3.877 4.824 8.794
210 HA LEU 32 HA LEU 32 -4.011 2.466 10.523
211 HB3 LEU 32 2HB LEU 32 -1.717 1.782 9.795
212 HG LEU 32 HG LEU 32 -3.738 1.538 7.531
213 HD11 LEU 32 1HD1 LEU 32 -1.568 1.264 6.597
214 HD12 LEU 32 2HD1 LEU 32 -2.203 -0.343 6.864
215 HD13 LEU 32 3HD1 LEU 32 -0.987 0.317 7.983
216 HD21 LEU 32 3HD2 LEU 32 -4.461 0.419 9.647
217 HD22 LEU 32 1HD2 LEU 32 -2.903 -0.427 9.718
218 HD23 LEU 32 2HD2 LEU 32 -4.040 -0.755 8.397
219 H SER 33 H SER 33 -3.587 3.414 12.391
220 HA SER 33 HA SER 33 -2.163 5.847 12.845
221 HB3 SER 33 2HB SER 33 -2.651 3.568 14.805
222 HG SER 33 HG SER 33 -3.207 5.327 16.139
223 H LEU 34 H LEU 34 -0.312 5.813 14.497
224 HA LEU 34 HA LEU 34 1.958 5.085 13.120
225 HB3 LEU 34 2HB LEU 34 2.234 5.534 16.083
226 HG LEU 34 HG LEU 34 3.286 6.787 13.533
227 HD11 LEU 34 1HD1 LEU 34 2.724 8.612 15.116
228 HD12 LEU 34 2HD1 LEU 34 4.455 8.491 14.812
229 HD13 LEU 34 3HD1 LEU 34 3.792 7.863 16.332
230 HD21 LEU 34 3HD2 LEU 34 4.545 4.774 14.442
231 HD22 LEU 34 1HD2 LEU 34 4.816 5.654 15.945
232 HD23 LEU 34 2HD2 LEU 34 5.520 6.222 14.403
233 H THR 35 H THR 35 0.442 3.387 15.826
234 HA THR 35 HA THR 35 2.367 1.237 15.971
235 HB THR 35 HB THR 35 -0.534 1.485 16.837
236 HG1 THR 35 1HG THR 35 1.408 1.298 18.728
237 HG21 THR 35 3HG2 THR 35 -0.030 -0.439 18.344
238 HG22 THR 35 1HG2 THR 35 1.488 -0.699 17.431
239 HG23 THR 35 2HG2 THR 35 -0.095 -0.864 16.638
240 H GLU 36 H GLU 36 -0.907 1.487 14.424
241 HA GLU 36 HA GLU 36 -1.092 -1.127 13.623
242 HB3 GLU 36 2HB GLU 36 -2.738 -0.390 11.986
243 HG3 GLU 36 2HG GLU 36 -2.903 1.509 14.360
244 H ARG 37 H ARG 37 0.378 1.542 11.772
245 HA ARG 37 HA ARG 37 0.789 -0.181 9.448
246 HB3 ARG 37 2HB ARG 37 0.398 2.328 9.373
247 HG3 ARG 37 2HG ARG 37 3.382 2.481 9.756
248 HD3 ARG 37 2HD ARG 37 2.083 4.113 8.251
249 HE ARG 37 HE ARG 37 0.191 4.650 9.766
250 HH11 ARG 37 1HH1 ARG 37 3.157 6.091 11.034
251 HH12 ARG 37 2HH1 ARG 37 2.416 7.633 11.380
252 HH21 ARG 37 1HH2 ARG 37 -0.807 6.468 10.411
253 HH22 ARG 37 2HH2 ARG 37 0.015 7.790 11.183
254 H SER 38 H SER 38 2.610 0.463 12.354
255 HA SER 38 HA SER 38 5.202 -0.393 11.441
256 HB3 SER 38 2HB SER 38 4.726 -0.714 14.240
257 HG SER 38 HG SER 38 5.793 1.333 14.362
258 H GLN 39 H GLN 39 2.388 -1.816 13.241
259 HA GLN 39 HA GLN 39 3.562 -4.366 13.667
260 HB3 GLN 39 2HB GLN 39 1.172 -5.100 13.984
261 HG3 GLN 39 2HG GLN 39 1.875 -2.440 15.300
262 HE21 GLN 39 1HE2 GLN 39 1.538 -4.969 17.451
263 HE22 GLN 39 2HE2 GLN 39 -0.194 -4.745 17.798
264 H ILE 40 H ILE 40 1.458 -3.180 11.110
265 HA ILE 40 HA ILE 40 1.498 -5.537 9.482
266 HB ILE 40 HB ILE 40 1.147 -2.613 8.726
267 HG13 ILE 40 2HG1 ILE 40 -0.598 -3.998 10.151
268 HG21 ILE 40 1HG2 ILE 40 0.117 -3.826 6.588
269 HG22 ILE 40 2HG2 ILE 40 1.873 -3.542 6.673
270 HG23 ILE 40 3HG2 ILE 40 1.163 -5.135 7.052
271 HD11 ILE 40 3HD1 ILE 40 -1.650 -2.712 7.618
272 HD12 ILE 40 1HD1 ILE 40 -2.480 -2.928 9.161
273 HD13 ILE 40 2HD1 ILE 40 -1.108 -1.815 9.059
274 H ALA 41 H ALA 41 3.738 -2.629 9.370
275 HA ALA 41 HA ALA 41 5.338 -3.644 7.319
276 HB1 ALA 41 1HB ALA 41 6.303 -2.002 9.723
277 HB2 ALA 41 2HB ALA 41 7.115 -2.144 8.162
278 HB3 ALA 41 3HB ALA 41 5.556 -1.312 8.272
279 H HIS 42 H HIS 42 5.482 -4.444 10.779
280 HA HIS 42 HA HIS 42 7.928 -5.961 10.626
281 HB3 HIS 42 2HB HIS 42 6.800 -7.019 12.767
282 HD1 HIS 42 1HD HIS 42 8.757 -6.528 14.295
283 HD2 HIS 42 2HD HIS 42 7.329 -3.138 12.243
284 HE1 HIS 42 1HE HIS 42 10.107 -4.541 15.146
285 H ALA 43 H ALA 43 4.593 -6.803 9.736
286 HA ALA 43 HA ALA 43 5.040 -9.665 9.712
287 HB1 ALA 43 1HB ALA 43 2.749 -8.745 9.708
288 HB2 ALA 43 2HB ALA 43 3.044 -8.032 8.101
289 HB3 ALA 43 3HB ALA 43 3.064 -9.779 8.306
290 H LEU 44 H LEU 44 4.564 -7.508 6.890
291 HA LEU 44 HA LEU 44 5.887 -9.296 5.205
292 HB3 LEU 44 2HB LEU 44 5.314 -7.718 3.520
293 HG LEU 44 HG LEU 44 3.145 -7.547 3.650
294 HD11 LEU 44 1HD1 LEU 44 3.525 -9.615 5.825
295 HD12 LEU 44 2HD1 LEU 44 3.615 -9.869 4.075
296 HD13 LEU 44 3HD1 LEU 44 2.091 -9.400 4.848
297 HD21 LEU 44 3HD2 LEU 44 2.089 -7.356 6.220
298 HD22 LEU 44 1HD2 LEU 44 2.113 -6.181 4.905
299 HD23 LEU 44 2HD2 LEU 44 3.415 -6.170 6.072
300 H LYS 45 H LYS 45 7.419 -7.166 7.210
301 HA LYS 45 HA LYS 45 9.565 -6.447 7.421
302 HB3 LYS 45 2HB LYS 45 10.377 -7.905 4.888
303 HG3 LYS 45 2HG LYS 45 11.719 -7.439 7.579
304 HD3 LYS 45 2HD LYS 45 12.841 -8.465 4.927
305 HE3 LYS 45 2HE LYS 45 14.441 -7.238 6.431
306 HZ1 LYS 45 3HZ LYS 45 15.090 -8.404 8.445
307 HZ2 LYS 45 1HZ LYS 45 13.893 -9.497 8.268
308 HZ3 LYS 45 2HZ LYS 45 13.548 -7.884 8.568
309 H LEU 46 H LEU 46 7.797 -4.759 6.433
310 HA LEU 46 HA LEU 46 9.149 -3.200 4.275
311 HB3 LEU 46 2HB LEU 46 6.975 -1.727 4.651
312 HG LEU 46 HG LEU 46 6.898 -4.489 3.413
313 HD11 LEU 46 1HD1 LEU 46 4.753 -2.341 3.200
314 HD12 LEU 46 2HD1 LEU 46 4.607 -3.826 4.169
315 HD13 LEU 46 3HD1 LEU 46 4.755 -3.925 2.417
316 HD21 LEU 46 3HD2 LEU 46 8.313 -2.799 2.252
317 HD22 LEU 46 1HD2 LEU 46 6.941 -1.667 2.234
318 HD23 LEU 46 2HD2 LEU 46 6.875 -3.160 1.300
319 H SER 47 H SER 47 8.436 -0.691 5.165
320 HA SER 47 HA SER 47 9.647 -0.306 7.825
321 HB3 SER 47 2HB SER 47 10.768 1.722 6.923
322 HG SER 47 HG SER 47 12.212 0.425 5.334
323 H GLU 48 H GLU 48 8.686 1.664 8.823
324 HA GLU 48 HA GLU 48 5.937 1.851 8.579
325 HB3 GLU 48 2HB GLU 48 6.049 4.049 9.685
326 HG3 GLU 48 2HG GLU 48 8.121 2.175 10.869
327 H VAL 49 H VAL 49 8.354 3.720 6.875
328 HA VAL 49 HA VAL 49 6.579 5.716 5.785
329 HB VAL 49 HB VAL 49 9.478 4.998 5.255
330 HG11 VAL 49 1HG1 VAL 49 9.582 7.161 3.993
331 HG12 VAL 49 2HG1 VAL 49 8.614 5.957 3.178
332 HG13 VAL 49 3HG1 VAL 49 7.814 7.273 4.075
333 HG21 VAL 49 3HG2 VAL 49 8.068 7.341 6.629
334 HG22 VAL 49 1HG2 VAL 49 8.943 6.029 7.453
335 HG23 VAL 49 2HG2 VAL 49 9.821 7.168 6.434
336 H GLN 50 H GLN 50 8.064 2.659 4.501
337 HA GLN 50 HA GLN 50 7.067 3.029 1.849
338 HB3 GLN 50 2HB GLN 50 7.265 0.554 1.724
339 HG3 GLN 50 2HG GLN 50 9.743 0.736 3.158
340 HE21 GLN 50 1HE2 GLN 50 8.996 1.962 -0.207
341 HE22 GLN 50 2HE2 GLN 50 9.531 0.459 -0.942
342 H VAL 51 H VAL 51 5.674 1.738 4.884
343 HA VAL 51 HA VAL 51 3.289 0.686 3.573
344 HB VAL 51 HB VAL 51 3.861 1.383 6.502
345 HG11 VAL 51 1HG1 VAL 51 1.481 1.405 6.172
346 HG12 VAL 51 2HG1 VAL 51 1.566 -0.000 5.106
347 HG13 VAL 51 3HG1 VAL 51 1.874 -0.184 6.854
348 HG21 VAL 51 3HG2 VAL 51 5.305 -0.445 5.726
349 HG22 VAL 51 1HG2 VAL 51 4.008 -1.105 6.729
350 HG23 VAL 51 2HG2 VAL 51 3.906 -1.257 4.977
351 H LYS 52 H LYS 52 4.085 3.611 5.416
352 HA LYS 52 HA LYS 52 1.629 4.881 5.411
353 HB3 LYS 52 2HB LYS 52 4.495 5.705 5.606
354 HG3 LYS 52 2HG LYS 52 2.255 7.749 5.520
355 HD3 LYS 52 2HD LYS 52 5.004 7.691 6.860
356 HE3 LYS 52 2HE LYS 52 3.147 9.996 6.220
357 HZ1 LYS 52 3HZ LYS 52 4.955 11.184 7.593
358 HZ2 LYS 52 1HZ LYS 52 5.395 9.709 8.162
359 HZ3 LYS 52 2HZ LYS 52 3.874 10.285 8.462
360 H ILE 53 H ILE 53 4.302 5.389 3.074
361 HA ILE 53 HA ILE 53 2.949 7.256 1.446
362 HB ILE 53 HB ILE 53 5.218 5.327 0.854
363 HG13 ILE 53 2HG1 ILE 53 5.655 7.057 2.638
364 HG21 ILE 53 1HG2 ILE 53 4.059 6.083 -1.272
365 HG22 ILE 53 2HG2 ILE 53 4.310 7.761 -0.770
366 HG23 ILE 53 3HG2 ILE 53 5.684 6.702 -1.156
367 HD11 ILE 53 3HD1 ILE 53 7.708 7.952 1.740
368 HD12 ILE 53 1HD1 ILE 53 7.526 6.280 1.154
369 HD13 ILE 53 2HD1 ILE 53 7.192 7.656 0.085
370 H TRP 54 H TRP 54 3.083 3.671 1.336
371 HA TRP 54 HA TRP 54 1.728 3.409 -1.153
372 HB3 TRP 54 2HB TRP 54 1.509 1.395 1.095
373 HD1 TRP 54 HD TRP 54 3.121 0.515 -2.191
374 HE1 TRP 54 1HE TRP 54 1.622 -1.095 -3.475
375 HE3 TRP 54 3HE TRP 54 -1.093 0.921 0.667
376 HZ2 TRP 54 2HZ TRP 54 -1.065 -2.181 -3.233
377 HZ3 TRP 54 3HZ TRP 54 -3.033 -0.521 0.232
378 HH2 TRP 54 HH TRP 54 -3.055 -2.054 -1.760
379 H PHE 55 H PHE 55 0.317 3.298 2.192
380 HA PHE 55 HA PHE 55 -2.384 3.128 1.235
381 HB3 PHE 55 2HB PHE 55 -2.830 4.206 3.627
382 HD1 PHE 55 2HD PHE 55 -0.489 1.291 3.068
383 HD2 PHE 55 1HD PHE 55 -4.461 2.575 4.224
384 HE1 PHE 55 2HE PHE 55 -1.189 -1.050 3.330
385 HE2 PHE 55 1HE PHE 55 -5.089 0.135 4.570
386 HZ PHE 55 HZ PHE 55 -3.488 -1.607 4.049
387 H GLN 56 H GLN 56 -0.289 5.904 1.897
388 HA GLN 56 HA GLN 56 -2.218 8.019 1.596
389 HB3 GLN 56 2HB GLN 56 0.014 9.122 0.584
390 HG3 GLN 56 2HG GLN 56 0.772 8.823 3.376
391 HE21 GLN 56 1HE2 GLN 56 2.106 10.525 2.736
392 HE22 GLN 56 2HE2 GLN 56 1.519 11.955 1.943
393 H ASN 57 H ASN 57 -0.234 6.181 -0.807
394 HA ASN 57 HA ASN 57 -0.980 7.640 -3.074
395 HB3 ASN 57 2HB ASN 57 -0.450 4.743 -3.484
396 HD21 ASN 57 1HD2 ASN 57 2.342 6.728 -3.197
397 HD22 ASN 57 2HD2 ASN 57 2.484 7.030 -4.907
398 H ARG 58 H ARG 58 -2.194 4.647 -1.645
399 HA ARG 58 HA ARG 58 -4.096 4.049 -3.694
400 HB3 ARG 58 2HB ARG 58 -4.645 3.016 -0.944
401 HG3 ARG 58 2HG ARG 58 -5.277 1.969 -3.211
402 HD3 ARG 58 2HD ARG 58 -2.495 0.745 -3.061
403 HE ARG 58 HE ARG 58 -3.213 0.779 -5.649
404 HH11 ARG 58 1HH1 ARG 58 -4.897 -0.636 -2.882
405 HH12 ARG 58 2HH1 ARG 58 -5.864 -1.724 -3.826
406 HH21 ARG 58 1HH2 ARG 58 -4.449 -0.624 -6.926
407 HH22 ARG 58 2HH2 ARG 58 -5.505 -1.754 -6.180
408 H ARG 59 H ARG 59 -4.553 5.613 -0.440
409 HA ARG 59 HA ARG 59 -7.347 6.074 -0.765
410 HB3 ARG 59 2HB ARG 59 -6.885 8.118 0.711
411 HG3 ARG 59 2HG ARG 59 -5.697 5.868 2.238
412 HD3 ARG 59 2HD ARG 59 -7.601 6.462 3.763
413 HE ARG 59 HE ARG 59 -6.874 9.170 3.147
414 HH11 ARG 59 1HH1 ARG 59 -5.682 6.209 4.685
415 HH12 ARG 59 2HH1 ARG 59 -4.225 6.891 5.298
416 HH21 ARG 59 1HH2 ARG 59 -4.831 10.050 3.630
417 HH22 ARG 59 2HH2 ARG 59 -3.741 9.268 4.715
418 H ALA 60 H ALA 60 -4.598 7.727 -2.317
419 HA ALA 60 HA ALA 60 -6.108 10.083 -2.991
420 HB1 ALA 60 1HB ALA 60 -3.683 8.962 -4.463
421 HB2 ALA 60 2HB ALA 60 -4.301 10.607 -4.464
422 HB3 ALA 60 3HB ALA 60 -3.587 9.953 -2.990
423 H LYS 61 H LYS 61 -5.110 7.277 -5.052
424 HA LYS 61 HA LYS 61 -6.676 8.047 -7.229
425 HB3 LYS 61 2HB LYS 61 -6.122 5.125 -6.562
426 HG3 LYS 61 2HG LYS 61 -6.195 6.754 -9.148
427 HD3 LYS 61 2HD LYS 61 -5.794 3.757 -8.789
428 HE3 LYS 61 2HE LYS 61 -5.662 5.503 -11.313
429 HZ1 LYS 61 3HZ LYS 61 -4.845 3.317 -11.759
430 HZ2 LYS 61 1HZ LYS 61 -6.326 3.439 -12.399
431 HZ3 LYS 61 2HZ LYS 61 -6.129 2.586 -11.005
432 H TRP 62 H TRP 62 -7.664 6.061 -4.446
433 HA TRP 62 HA TRP 62 -10.208 5.233 -5.166
434 HB3 TRP 62 2HB TRP 62 -9.182 6.350 -2.552
435 HD1 TRP 62 HD TRP 62 -11.947 3.777 -3.525
436 HE1 TRP 62 1HE TRP 62 -13.663 3.789 -1.654
437 HE3 TRP 62 3HE TRP 62 -9.810 7.315 -0.576
438 HZ2 TRP 62 2HZ TRP 62 -14.077 5.183 0.883
439 HZ3 TRP 62 3HZ TRP 62 -10.873 7.966 1.617
440 HH2 TRP 62 HH TRP 62 -12.973 6.855 2.344
441 H LYS 63 H LYS 63 -9.255 8.581 -4.149
442 HA LYS 63 HA LYS 63 -11.920 9.497 -3.666
443 HB3 LYS 63 2HB LYS 63 -10.799 11.799 -4.103
444 HG3 LYS 63 2HG LYS 63 -9.055 11.155 -2.087
445 HD3 LYS 63 2HD LYS 63 -12.045 11.581 -1.991
446 HE3 LYS 63 2HE LYS 63 -11.403 10.534 0.133
447 HZ1 LYS 63 3HZ LYS 63 -9.923 11.499 1.586
448 HZ2 LYS 63 1HZ LYS 63 -9.653 12.853 0.677
449 HZ3 LYS 63 2HZ LYS 63 -9.060 11.384 0.210
450 H ARG 64 H ARG 64 -10.213 9.013 -6.727
451 HA ARG 64 HA ARG 64 -12.192 10.651 -8.169
452 HB3 ARG 64 2HB ARG 64 -10.871 9.757 -10.199
453 HG3 ARG 64 2HG ARG 64 -8.640 10.906 -9.481
454 HD3 ARG 64 2HD ARG 64 -11.285 12.400 -9.600
455 HE ARG 64 HE ARG 64 -9.408 13.647 -8.455
456 HH11 ARG 64 1HH1 ARG 64 -10.049 13.949 -11.969
457 HH12 ARG 64 2HH1 ARG 64 -9.278 15.484 -12.070
458 HH21 ARG 64 1HH2 ARG 64 -8.449 15.696 -8.626
459 HH22 ARG 64 2HH2 ARG 64 -8.552 16.558 -10.121
460 H ILE 65 H ILE 65 -12.045 7.545 -7.013
461 HA ILE 65 HA ILE 65 -13.979 6.487 -9.031
462 HB ILE 65 HB ILE 65 -12.926 4.995 -6.606
463 HG13 ILE 65 2HG1 ILE 65 -10.996 5.641 -8.017
464 HG21 ILE 65 1HG2 ILE 65 -15.063 4.221 -7.744
465 HG22 ILE 65 2HG2 ILE 65 -14.138 3.999 -9.233
466 HG23 ILE 65 3HG2 ILE 65 -13.771 3.023 -7.791
467 HD11 ILE 65 3HD1 ILE 65 -11.572 2.687 -8.348
468 HD12 ILE 65 1HD1 ILE 65 -10.029 3.533 -8.171
469 HD13 ILE 65 2HD1 ILE 65 -11.122 3.438 -6.790
470 H LYS 66 H LYS 66 -13.632 6.771 -5.483
471 HA LYS 66 HA LYS 66 -16.296 6.052 -4.970
472 HB3 LYS 66 2HB LYS 66 -14.360 5.903 -3.407
473 HG3 LYS 66 2HG LYS 66 -14.295 8.802 -3.608
474 HD3 LYS 66 2HD LYS 66 -14.584 7.727 -0.794
475 HE3 LYS 66 2HE LYS 66 -14.148 10.449 -1.995
476 HZ1 LYS 66 3HZ LYS 66 -15.010 11.288 0.227
477 HZ2 LYS 66 1HZ LYS 66 -15.887 9.888 0.293
478 HZ3 LYS 66 2HZ LYS 66 -16.105 10.962 -0.945
479 H ALA 67 H ALA 67 -15.291 8.987 -6.240
480 HA ALA 67 HA ALA 67 -17.700 10.483 -5.390
481 HB1 ALA 67 1HB ALA 67 -15.654 11.715 -4.977
482 HB2 ALA 67 2HB ALA 67 -15.084 11.417 -6.648
483 HB3 ALA 67 3HB ALA 67 -16.502 12.429 -6.360
484 H GLY 68 H GLY 68 -18.692 8.724 -6.740
485 HA2 GLY 68 1HA GLY 68 -20.146 8.562 -8.575
486 HA3 GLY 68 2HA GLY 68 -19.314 9.929 -9.352
487 H ASN 69 H ASN 69 -17.959 9.427 -11.041
488 HA ASN 69 HA ASN 69 -16.365 7.002 -10.972
489 HB3 ASN 69 2HB ASN 69 -18.205 7.208 -13.361
490 HD21 ASN 69 1HD2 ASN 69 -16.760 6.033 -14.685
491 HD22 ASN 69 2HD2 ASN 69 -16.292 4.399 -14.260
492 H VAL 70 H VAL 70 -14.447 7.817 -11.687
493 HA VAL 70 HA VAL 70 -14.232 10.224 -13.173
494 HB VAL 70 HB VAL 70 -12.556 9.666 -11.616
495 HG11 VAL 70 1HG1 VAL 70 -12.611 7.191 -11.616
496 HG12 VAL 70 2HG1 VAL 70 -11.881 7.169 -13.240
497 HG13 VAL 70 3HG1 VAL 70 -10.965 7.777 -11.851
498 HG21 VAL 70 3HG2 VAL 70 -11.148 9.351 -14.264
499 HG22 VAL 70 1HG2 VAL 70 -11.815 10.877 -13.674
500 HG23 VAL 70 2HG2 VAL 70 -10.525 10.065 -12.766
501 H SER 71 H SER 71 -14.524 7.035 -14.188
502 HA SER 71 HA SER 71 -13.698 7.557 -16.991
503 HB3 SER 71 2HB SER 71 -14.491 5.315 -17.451
504 HG SER 71 HG SER 71 -12.363 5.593 -16.633
Start of MODEL 16
1 H1 SER 1 H SER 1 3.990 -1.617 -11.602
2 HA SER 1 HA SER 1 2.994 -3.502 -13.672
3 HB3 SER 1 2HB SER 1 5.272 -4.236 -14.000
4 HG SER 1 HG SER 1 4.804 -2.416 -15.199
5 H ALA 2 H ALA 2 2.587 -5.577 -12.897
6 HA ALA 2 HA ALA 2 3.551 -6.476 -10.300
7 HB1 ALA 2 1HB ALA 2 0.578 -6.017 -10.747
8 HB2 ALA 2 2HB ALA 2 1.305 -6.878 -9.379
9 HB3 ALA 2 3HB ALA 2 1.611 -5.147 -9.584
10 HA PRO 3 HA PRO 3 2.866 -9.711 -13.554
11 HB3 PRO 3 2HB PRO 3 5.101 -9.639 -14.150
12 HG3 PRO 3 2HG PRO 3 6.803 -9.130 -12.544
13 HD3 PRO 3 2HD PRO 3 5.281 -7.322 -12.453
14 H GLY 4 H GLY 4 2.784 -9.701 -10.165
15 HA2 GLY 4 1HA GLY 4 1.616 -11.245 -8.795
16 HA3 GLY 4 2HA GLY 4 1.877 -12.530 -9.982
17 H GLY 5 H GLY 5 4.032 -13.346 -10.291
18 HA2 GLY 5 1HA GLY 5 6.158 -12.721 -8.355
19 HA3 GLY 5 2HA GLY 5 5.429 -14.338 -8.282
20 H LYS 6 H LYS 6 7.417 -15.216 -8.928
21 HA LYS 6 HA LYS 6 8.796 -16.331 -10.193
22 HB3 LYS 6 2HB LYS 6 8.220 -16.952 -12.493
23 HG3 LYS 6 2HG LYS 6 7.102 -17.906 -10.247
24 HD3 LYS 6 2HD LYS 6 4.699 -17.098 -11.939
25 HE3 LYS 6 2HE LYS 6 4.935 -18.516 -9.248
26 HZ1 LYS 6 3HZ LYS 6 2.882 -17.243 -9.583
27 HZ2 LYS 6 1HZ LYS 6 2.556 -18.852 -9.545
28 HZ3 LYS 6 2HZ LYS 6 2.588 -18.029 -10.975
29 H SER 7 H SER 7 8.083 -13.223 -11.772
30 HA SER 7 HA SER 7 10.987 -13.050 -12.467
31 HB3 SER 7 2HB SER 7 10.260 -10.952 -13.656
32 HG SER 7 HG SER 7 9.049 -13.433 -14.355
33 H ARG 8 H ARG 8 8.707 -11.912 -10.112
34 HA ARG 8 HA ARG 8 8.683 -10.239 -8.630
35 HB3 ARG 8 2HB ARG 8 10.212 -11.704 -7.475
36 HG3 ARG 8 2HG ARG 8 12.677 -10.689 -7.290
37 HD3 ARG 8 2HD ARG 8 11.589 -12.883 -9.023
38 HE ARG 8 HE ARG 8 13.357 -12.701 -10.390
39 HH11 ARG 8 1HH1 ARG 8 14.636 -12.328 -7.057
40 HH12 ARG 8 2HH1 ARG 8 16.263 -12.660 -7.580
41 HH21 ARG 8 1HH2 ARG 8 15.466 -13.048 -10.993
42 HH22 ARG 8 2HH2 ARG 8 16.758 -13.057 -9.867
43 H ARG 9 H ARG 9 10.486 -8.220 -7.887
44 HA ARG 9 HA ARG 9 11.431 -6.925 -10.329
45 HB3 ARG 9 2HB ARG 9 9.583 -5.345 -8.486
46 HG3 ARG 9 2HG ARG 9 11.352 -4.528 -10.842
47 HD3 ARG 9 2HD ARG 9 10.371 -2.219 -10.465
48 HE ARG 9 HE ARG 9 8.502 -4.247 -11.638
49 HH11 ARG 9 1HH1 ARG 9 10.104 -1.036 -12.060
50 HH12 ARG 9 2HH1 ARG 9 9.575 -0.956 -13.692
51 HH21 ARG 9 1HH2 ARG 9 7.847 -4.006 -13.704
52 HH22 ARG 9 2HH2 ARG 9 8.246 -2.597 -14.649
53 H ARG 10 H ARG 10 11.096 -5.825 -6.912
54 HA ARG 10 HA ARG 10 12.678 -4.941 -5.509
55 HB3 ARG 10 2HB ARG 10 14.261 -7.422 -6.279
56 HG3 ARG 10 2HG ARG 10 14.180 -6.851 -3.475
57 HD3 ARG 10 2HD ARG 10 16.631 -6.513 -3.629
58 HE ARG 10 HE ARG 10 16.502 -8.673 -5.512
59 HH11 ARG 10 1HH1 ARG 10 15.520 -7.877 -2.177
60 HH12 ARG 10 2HH1 ARG 10 15.356 -9.543 -1.700
61 HH21 ARG 10 1HH2 ARG 10 16.777 -10.800 -4.707
62 HH22 ARG 10 2HH2 ARG 10 16.359 -11.158 -3.063
63 H ARG 11 H ARG 11 12.812 -3.338 -7.487
64 HA ARG 11 HA ARG 11 15.642 -2.775 -8.010
65 HB3 ARG 11 2HB ARG 11 15.063 -2.254 -10.451
66 HG3 ARG 11 2HG ARG 11 15.099 -5.156 -9.562
67 HD3 ARG 11 2HD ARG 11 14.647 -4.018 -12.196
68 HE ARG 11 HE ARG 11 16.673 -4.348 -13.044
69 HH11 ARG 11 1HH1 ARG 11 16.332 -6.925 -10.553
70 HH12 ARG 11 2HH1 ARG 11 17.582 -7.884 -11.236
71 HH21 ARG 11 1HH2 ARG 11 18.454 -5.535 -13.756
72 HH22 ARG 11 2HH2 ARG 11 18.845 -7.071 -13.042
73 H THR 12 H THR 12 13.760 -1.648 -6.134
74 HA THR 12 HA THR 12 13.351 1.025 -7.008
75 HB THR 12 HB THR 12 10.708 -0.304 -6.439
76 HG1 THR 12 1HG THR 12 11.948 -0.471 -8.968
77 HG21 THR 12 3HG2 THR 12 11.516 1.798 -8.501
78 HG22 THR 12 1HG2 THR 12 11.019 2.154 -6.842
79 HG23 THR 12 2HG2 THR 12 9.871 1.403 -7.949
80 H ALA 13 H ALA 13 11.915 2.134 -5.125
81 HA ALA 13 HA ALA 13 12.982 1.644 -2.586
82 HB1 ALA 13 1HB ALA 13 10.402 2.951 -3.545
83 HB2 ALA 13 2HB ALA 13 10.764 2.813 -1.829
84 HB3 ALA 13 3HB ALA 13 11.870 3.719 -2.883
85 H PHE 14 H PHE 14 10.509 -0.232 -4.200
86 HA PHE 14 HA PHE 14 9.869 -1.696 -1.703
87 HB3 PHE 14 2HB PHE 14 7.536 -1.849 -2.565
88 HD1 PHE 14 1HD PHE 14 8.633 1.709 -3.186
89 HD2 PHE 14 2HD PHE 14 6.910 -1.071 -0.430
90 HE1 PHE 14 1HE PHE 14 7.947 3.605 -1.721
91 HE2 PHE 14 2HE PHE 14 6.001 0.797 0.913
92 HZ PHE 14 HZ PHE 14 6.533 3.154 0.287
93 H THR 15 H THR 15 9.292 -3.965 -2.211
94 HA THR 15 HA THR 15 10.511 -4.805 -4.779
95 HB THR 15 HB THR 15 10.709 -6.951 -3.922
96 HG1 THR 15 1HG THR 15 9.983 -7.243 -1.600
97 HG21 THR 15 3HG2 THR 15 12.355 -5.216 -3.062
98 HG22 THR 15 1HG2 THR 15 12.214 -6.678 -2.069
99 HG23 THR 15 2HG2 THR 15 11.440 -5.178 -1.551
100 H SER 16 H SER 16 9.186 -6.903 -5.697
101 HA SER 16 HA SER 16 6.680 -5.862 -6.602
102 HB3 SER 16 2HB SER 16 7.815 -7.271 -8.101
103 HG SER 16 HG SER 16 8.039 -9.453 -6.391
104 H GLU 17 H GLU 17 7.775 -8.051 -4.032
105 HA GLU 17 HA GLU 17 5.278 -9.259 -3.465
106 HB3 GLU 17 2HB GLU 17 7.901 -9.027 -1.924
107 HG3 GLU 17 2HG GLU 17 5.571 -10.960 -1.792
108 H GLN 18 H GLN 18 7.247 -6.708 -1.938
109 HA GLN 18 HA GLN 18 5.479 -5.906 0.100
110 HB3 GLN 18 2HB GLN 18 6.679 -3.678 -0.195
111 HG3 GLN 18 2HG GLN 18 8.339 -6.243 0.027
112 HE21 GLN 18 1HE2 GLN 18 9.424 -5.247 2.520
113 HE22 GLN 18 2HE2 GLN 18 10.598 -4.011 2.206
114 H LEU 19 H LEU 19 5.679 -4.814 -3.328
115 HA LEU 19 HA LEU 19 3.536 -2.923 -3.134
116 HB3 LEU 19 2HB LEU 19 3.600 -3.323 -5.752
117 HG LEU 19 HG LEU 19 6.125 -2.447 -4.302
118 HD11 LEU 19 1HD1 LEU 19 6.760 -1.446 -6.465
119 HD12 LEU 19 2HD1 LEU 19 5.323 -2.170 -7.231
120 HD13 LEU 19 3HD1 LEU 19 6.607 -3.205 -6.589
121 HD21 LEU 19 3HD2 LEU 19 4.323 -0.972 -3.765
122 HD22 LEU 19 1HD2 LEU 19 3.747 -0.926 -5.440
123 HD23 LEU 19 2HD2 LEU 19 5.303 -0.173 -5.003
124 H LEU 20 H LEU 20 3.326 -6.393 -3.408
125 HA LEU 20 HA LEU 20 0.586 -6.178 -4.578
126 HB3 LEU 20 2HB LEU 20 2.420 -8.569 -4.202
127 HG LEU 20 HG LEU 20 -0.468 -8.350 -5.055
128 HD11 LEU 20 1HD1 LEU 20 -0.273 -10.171 -6.674
129 HD12 LEU 20 2HD1 LEU 20 1.491 -10.154 -6.519
130 HD13 LEU 20 3HD1 LEU 20 0.608 -8.745 -7.212
131 HD21 LEU 20 3HD2 LEU 20 0.197 -9.739 -3.055
132 HD22 LEU 20 1HD2 LEU 20 1.207 -10.726 -4.117
133 HD23 LEU 20 2HD2 LEU 20 -0.531 -10.733 -4.339
134 H GLU 21 H GLU 21 2.300 -7.059 -1.585
135 HA GLU 21 HA GLU 21 -0.072 -8.016 -0.222
136 HB3 GLU 21 2HB GLU 21 1.601 -7.368 1.771
137 HG3 GLU 21 2HG GLU 21 2.802 -9.594 1.213
138 H LEU 22 H LEU 22 1.477 -4.900 -0.724
139 HA LEU 22 HA LEU 22 0.145 -3.450 1.322
140 HB3 LEU 22 2HB LEU 22 0.694 -1.692 -0.835
141 HG LEU 22 HG LEU 22 1.510 -1.059 1.265
142 HD11 LEU 22 1HD1 LEU 22 1.855 -3.237 2.428
143 HD12 LEU 22 2HD1 LEU 22 3.238 -2.186 2.569
144 HD13 LEU 22 3HD1 LEU 22 3.271 -3.545 1.416
145 HD21 LEU 22 3HD2 LEU 22 3.851 -0.558 0.836
146 HD22 LEU 22 1HD2 LEU 22 2.953 -0.485 -0.694
147 HD23 LEU 22 2HD2 LEU 22 3.958 -1.896 -0.338
148 H GLU 23 H GLU 23 -0.869 -4.181 -1.990
149 HA GLU 23 HA GLU 23 -3.335 -2.617 -1.639
150 HB3 GLU 23 2HB GLU 23 -2.292 -2.562 -3.770
151 HG3 GLU 23 2HG GLU 23 -2.365 -5.564 -3.738
152 H LYS 24 H LYS 24 -2.307 -5.843 -1.034
153 HA LYS 24 HA LYS 24 -4.782 -7.225 -0.989
154 HB3 LYS 24 2HB LYS 24 -2.893 -7.733 1.261
155 HG3 LYS 24 2HG LYS 24 -4.616 -9.257 -0.094
156 HD3 LYS 24 2HD LYS 24 -3.353 -10.925 -1.422
157 HE3 LYS 24 2HE LYS 24 -3.074 -8.092 -2.513
158 HZ1 LYS 24 3HZ LYS 24 -1.974 -9.686 -3.892
159 HZ2 LYS 24 1HZ LYS 24 -3.348 -9.186 -4.635
160 HZ3 LYS 24 2HZ LYS 24 -3.286 -10.677 -3.934
161 H GLU 25 H GLU 25 -3.097 -5.471 1.673
162 HA GLU 25 HA GLU 25 -5.349 -5.471 3.376
163 HB3 GLU 25 2HB GLU 25 -3.726 -3.179 3.992
164 HG3 GLU 25 2HG GLU 25 -4.243 -4.430 5.864
165 H PHE 26 H PHE 26 -4.561 -3.186 0.835
166 HA PHE 26 HA PHE 26 -6.146 -1.026 1.910
167 HB3 PHE 26 2HB PHE 26 -5.322 -1.529 -0.979
168 HD1 PHE 26 2HD PHE 26 -5.896 1.239 1.537
169 HD2 PHE 26 1HD PHE 26 -6.241 -0.018 -2.570
170 HE1 PHE 26 2HE PHE 26 -6.938 3.399 0.960
171 HE2 PHE 26 1HE PHE 26 -7.293 2.138 -3.140
172 HZ PHE 26 HZ PHE 26 -7.644 3.884 -1.384
173 H HIS 27 H HIS 27 -6.953 -3.917 0.217
174 HA HIS 27 HA HIS 27 -9.428 -3.075 -0.923
175 HB3 HIS 27 2HB HIS 27 -9.238 -5.922 -0.269
176 HD1 HIS 27 1HD HIS 27 -7.829 -6.113 -3.389
177 HD2 HIS 27 2HD HIS 27 -11.431 -4.406 -2.015
178 HE1 HIS 27 1HE HIS 27 -9.346 -5.933 -5.418
179 H CYS 28 H CYS 28 -8.610 -4.633 2.280
180 HA CYS 28 HA CYS 28 -11.448 -4.706 3.023
181 HB3 CYS 28 2HB CYS 28 -8.929 -5.318 4.645
182 HG CYS 28 HG CYS 28 -10.452 -6.775 6.265
183 H LYS 29 H LYS 29 -8.420 -2.991 4.087
184 HA LYS 29 HA LYS 29 -10.197 -0.987 5.372
185 HB3 LYS 29 2HB LYS 29 -8.338 -0.670 7.014
186 HG3 LYS 29 2HG LYS 29 -8.426 -2.909 8.147
187 HD3 LYS 29 2HD LYS 29 -11.037 -1.615 7.339
188 HE3 LYS 29 2HE LYS 29 -11.550 -3.938 7.822
189 HZ1 LYS 29 3HZ LYS 29 -9.647 -4.467 9.258
190 HZ2 LYS 29 1HZ LYS 29 -11.110 -4.888 9.905
191 HZ3 LYS 29 2HZ LYS 29 -10.332 -3.579 10.496
192 H LYS 30 H LYS 30 -10.304 0.690 3.958
193 HA LYS 30 HA LYS 30 -8.248 1.569 2.265
194 HB3 LYS 30 2HB LYS 30 -9.312 3.910 2.542
195 HG3 LYS 30 2HG LYS 30 -11.533 3.413 1.633
196 HD3 LYS 30 2HD LYS 30 -9.585 1.414 0.414
197 HE3 LYS 30 2HE LYS 30 -10.917 1.651 -1.607
198 HZ1 LYS 30 3HZ LYS 30 -12.709 0.371 -1.056
199 HZ2 LYS 30 1HZ LYS 30 -12.972 1.059 0.408
200 HZ3 LYS 30 2HZ LYS 30 -11.728 0.038 0.200
201 H TYR 31 H TYR 31 -8.627 2.208 5.779
202 HA TYR 31 HA TYR 31 -6.073 3.689 5.772
203 HB3 TYR 31 2HB TYR 31 -7.596 5.405 6.030
204 HD1 TYR 31 1HD TYR 31 -9.848 4.730 5.233
205 HD2 TYR 31 2HD TYR 31 -8.662 4.218 9.342
206 HE1 TYR 31 1HE TYR 31 -12.212 4.587 5.853
207 HE2 TYR 31 2HE TYR 31 -11.008 4.084 10.005
208 HH TYR 31 HH TYR 31 -13.646 3.660 7.964
209 H LEU 32 H LEU 32 -4.825 3.437 7.640
210 HA LEU 32 HA LEU 32 -5.317 0.836 9.063
211 HB3 LEU 32 2HB LEU 32 -2.879 0.560 9.192
212 HG LEU 32 HG LEU 32 -3.636 0.914 6.261
213 HD11 LEU 32 1HD1 LEU 32 -1.765 -0.621 5.858
214 HD12 LEU 32 2HD1 LEU 32 -1.465 -0.761 7.596
215 HD13 LEU 32 3HD1 LEU 32 -1.172 0.771 6.789
216 HD21 LEU 32 3HD2 LEU 32 -3.991 -1.577 6.315
217 HD22 LEU 32 1HD2 LEU 32 -5.192 -0.694 7.250
218 HD23 LEU 32 2HD2 LEU 32 -3.846 -1.542 8.074
219 H SER 33 H SER 33 -5.458 1.031 11.133
220 HA SER 33 HA SER 33 -5.154 3.435 12.654
221 HB3 SER 33 2HB SER 33 -5.536 1.766 14.552
222 HG SER 33 HG SER 33 -7.286 1.376 12.365
223 H LEU 34 H LEU 34 -3.758 3.392 14.768
224 HA LEU 34 HA LEU 34 -1.087 3.513 13.875
225 HB3 LEU 34 2HB LEU 34 -0.930 3.503 16.680
226 HG LEU 34 HG LEU 34 -1.545 5.814 14.803
227 HD11 LEU 34 1HD1 LEU 34 -2.201 6.388 17.115
228 HD12 LEU 34 2HD1 LEU 34 -0.743 7.275 16.643
229 HD13 LEU 34 3HD1 LEU 34 -0.617 5.860 17.712
230 HD21 LEU 34 3HD2 LEU 34 0.630 4.735 14.342
231 HD22 LEU 34 1HD2 LEU 34 1.060 4.838 16.056
232 HD23 LEU 34 2HD2 LEU 34 0.881 6.308 15.090
233 H THR 35 H THR 35 -2.685 1.004 15.801
234 HA THR 35 HA THR 35 -0.281 -0.488 16.264
235 HB THR 35 HB THR 35 -2.600 -0.592 17.421
236 HG1 THR 35 1HG THR 35 -1.716 -2.093 18.410
237 HG21 THR 35 3HG2 THR 35 -4.019 -2.466 16.884
238 HG22 THR 35 1HG2 THR 35 -3.047 -2.867 15.466
239 HG23 THR 35 2HG2 THR 35 -4.008 -1.346 15.521
240 H GLU 36 H GLU 36 -2.811 -0.749 13.733
241 HA GLU 36 HA GLU 36 -1.722 -2.993 12.437
242 HB3 GLU 36 2HB GLU 36 -3.438 -2.483 10.727
243 HG3 GLU 36 2HG GLU 36 -4.744 -1.524 13.265
244 H ARG 37 H ARG 37 -1.187 0.480 11.927
245 HA ARG 37 HA ARG 37 0.398 0.145 9.569
246 HB3 ARG 37 2HB ARG 37 0.254 2.451 11.523
247 HG3 ARG 37 2HG ARG 37 1.515 2.148 8.764
248 HD3 ARG 37 2HD ARG 37 0.092 4.193 8.872
249 HE ARG 37 HE ARG 37 1.909 4.829 11.160
250 HH11 ARG 37 1HH1 ARG 37 -1.109 5.859 9.457
251 HH12 ARG 37 2HH1 ARG 37 -1.359 7.139 10.612
252 HH21 ARG 37 1HH2 ARG 37 1.580 6.424 12.452
253 HH22 ARG 37 2HH2 ARG 37 0.232 7.497 12.403
254 H SER 38 H SER 38 1.179 -0.589 12.905
255 HA SER 38 HA SER 38 4.072 -0.758 12.291
256 HB3 SER 38 2HB SER 38 2.442 -1.649 14.706
257 HG SER 38 HG SER 38 4.721 -1.835 15.505
258 H GLN 39 H GLN 39 1.280 -2.920 12.885
259 HA GLN 39 HA GLN 39 2.702 -5.301 12.899
260 HB3 GLN 39 2HB GLN 39 0.431 -6.360 12.572
261 HG3 GLN 39 2HG GLN 39 -0.722 -4.744 14.381
262 HE21 GLN 39 1HE2 GLN 39 -1.157 -6.795 15.244
263 HE22 GLN 39 2HE2 GLN 39 -0.072 -7.436 16.438
264 H ILE 40 H ILE 40 0.835 -3.977 10.146
265 HA ILE 40 HA ILE 40 1.411 -6.069 8.312
266 HB ILE 40 HB ILE 40 0.590 -3.181 8.049
267 HG13 ILE 40 2HG1 ILE 40 -0.935 -5.024 9.090
268 HG21 ILE 40 1HG2 ILE 40 0.696 -5.223 5.798
269 HG22 ILE 40 2HG2 ILE 40 -0.063 -3.626 5.688
270 HG23 ILE 40 3HG2 ILE 40 1.679 -3.745 5.921
271 HD11 ILE 40 3HD1 ILE 40 -1.802 -2.831 8.671
272 HD12 ILE 40 1HD1 ILE 40 -1.919 -3.150 6.937
273 HD13 ILE 40 2HD1 ILE 40 -2.948 -4.039 8.081
274 H ALA 41 H ALA 41 3.046 -2.891 8.788
275 HA ALA 41 HA ALA 41 5.062 -3.125 6.908
276 HB1 ALA 41 1HB ALA 41 4.619 -1.091 8.271
277 HB2 ALA 41 2HB ALA 41 5.326 -1.888 9.688
278 HB3 ALA 41 3HB ALA 41 6.321 -1.541 8.278
279 H HIS 42 H HIS 42 5.053 -4.568 10.194
280 HA HIS 42 HA HIS 42 7.745 -5.551 10.143
281 HB3 HIS 42 2HB HIS 42 6.620 -7.390 11.686
282 HD1 HIS 42 1HD HIS 42 8.824 -6.678 12.980
283 HD2 HIS 42 2HD HIS 42 5.540 -4.043 13.181
284 HE1 HIS 42 1HE HIS 42 9.336 -5.024 14.845
285 H ALA 43 H ALA 43 4.730 -6.928 8.761
286 HA ALA 43 HA ALA 43 5.742 -9.549 8.279
287 HB1 ALA 43 1HB ALA 43 3.281 -8.821 8.144
288 HB2 ALA 43 2HB ALA 43 3.653 -8.124 6.559
289 HB3 ALA 43 3HB ALA 43 3.870 -9.840 6.807
290 H LEU 44 H LEU 44 5.096 -6.976 5.804
291 HA LEU 44 HA LEU 44 6.712 -8.244 3.927
292 HB3 LEU 44 2HB LEU 44 6.149 -6.399 2.555
293 HG LEU 44 HG LEU 44 3.972 -6.475 2.482
294 HD11 LEU 44 1HD1 LEU 44 2.966 -8.547 3.263
295 HD12 LEU 44 2HD1 LEU 44 4.353 -8.857 4.270
296 HD13 LEU 44 3HD1 LEU 44 4.552 -8.758 2.499
297 HD21 LEU 44 3HD2 LEU 44 2.280 -6.122 3.890
298 HD22 LEU 44 1HD2 LEU 44 3.558 -5.047 4.455
299 HD23 LEU 44 2HD2 LEU 44 3.195 -6.568 5.302
300 H LYS 45 H LYS 45 7.813 -6.436 6.500
301 HA LYS 45 HA LYS 45 9.782 -5.641 7.151
302 HB3 LYS 45 2HB LYS 45 11.197 -6.219 4.548
303 HG3 LYS 45 2HG LYS 45 12.183 -5.172 6.730
304 HD3 LYS 45 2HD LYS 45 12.421 -8.094 7.534
305 HE3 LYS 45 2HE LYS 45 12.435 -5.518 9.178
306 HZ1 LYS 45 3HZ LYS 45 13.395 -8.254 9.743
307 HZ2 LYS 45 1HZ LYS 45 12.148 -7.479 10.455
308 HZ3 LYS 45 2HZ LYS 45 13.688 -6.906 10.686
309 H LEU 46 H LEU 46 7.892 -4.013 6.146
310 HA LEU 46 HA LEU 46 9.431 -1.759 4.942
311 HB3 LEU 46 2HB LEU 46 6.990 -0.780 4.811
312 HG LEU 46 HG LEU 46 7.720 -3.231 3.206
313 HD11 LEU 46 1HD1 LEU 46 5.565 -1.151 2.682
314 HD12 LEU 46 2HD1 LEU 46 5.327 -2.859 3.123
315 HD13 LEU 46 3HD1 LEU 46 6.034 -2.448 1.561
316 HD21 LEU 46 3HD2 LEU 46 9.339 -1.395 2.851
317 HD22 LEU 46 1HD2 LEU 46 8.007 -0.309 2.424
318 HD23 LEU 46 2HD2 LEU 46 8.390 -1.709 1.413
319 H SER 47 H SER 47 8.224 0.248 5.991
320 HA SER 47 HA SER 47 8.133 -0.049 8.947
321 HB3 SER 47 2HB SER 47 9.432 2.127 9.110
322 HG SER 47 HG SER 47 11.166 1.031 9.373
323 H GLU 48 H GLU 48 7.197 1.922 9.947
324 HA GLU 48 HA GLU 48 4.573 2.157 9.102
325 HB3 GLU 48 2HB GLU 48 4.410 4.064 10.705
326 HG3 GLU 48 2HG GLU 48 6.138 1.798 11.788
327 H VAL 49 H VAL 49 7.236 4.150 8.130
328 HA VAL 49 HA VAL 49 5.826 6.418 7.021
329 HB VAL 49 HB VAL 49 8.656 5.331 6.948
330 HG11 VAL 49 1HG1 VAL 49 7.625 7.741 5.375
331 HG12 VAL 49 2HG1 VAL 49 9.335 7.263 5.594
332 HG13 VAL 49 3HG1 VAL 49 8.269 6.227 4.681
333 HG21 VAL 49 3HG2 VAL 49 7.906 6.621 8.938
334 HG22 VAL 49 1HG2 VAL 49 9.103 7.541 8.015
335 HG23 VAL 49 2HG2 VAL 49 7.381 7.953 7.873
336 H GLN 50 H GLN 50 7.479 3.502 5.608
337 HA GLN 50 HA GLN 50 6.760 4.006 2.949
338 HB3 GLN 50 2HB GLN 50 7.062 1.672 2.618
339 HG3 GLN 50 2HG GLN 50 9.227 1.805 2.764
340 HE21 GLN 50 1HE2 GLN 50 8.606 3.249 0.992
341 HE22 GLN 50 2HE2 GLN 50 9.226 4.876 1.171
342 H VAL 51 H VAL 51 4.970 2.326 5.557
343 HA VAL 51 HA VAL 51 2.815 1.653 3.671
344 HB VAL 51 HB VAL 51 2.703 1.201 6.666
345 HG11 VAL 51 1HG1 VAL 51 0.612 0.808 5.346
346 HG12 VAL 51 2HG1 VAL 51 1.520 -0.248 4.240
347 HG13 VAL 51 3HG1 VAL 51 1.270 -0.719 5.918
348 HG21 VAL 51 3HG2 VAL 51 4.008 -0.533 4.491
349 HG22 VAL 51 1HG2 VAL 51 4.805 0.128 5.937
350 HG23 VAL 51 2HG2 VAL 51 3.581 -1.121 6.102
351 H LYS 52 H LYS 52 3.553 4.407 5.666
352 HA LYS 52 HA LYS 52 0.821 5.449 5.522
353 HB3 LYS 52 2HB LYS 52 3.479 6.804 6.180
354 HG3 LYS 52 2HG LYS 52 0.579 7.767 6.094
355 HD3 LYS 52 2HD LYS 52 2.331 8.232 8.304
356 HE3 LYS 52 2HE LYS 52 1.769 10.738 6.669
357 HZ1 LYS 52 3HZ LYS 52 1.784 10.808 9.207
358 HZ2 LYS 52 1HZ LYS 52 2.784 11.863 8.431
359 HZ3 LYS 52 2HZ LYS 52 3.407 10.498 9.092
360 H ILE 53 H ILE 53 3.887 6.317 3.837
361 HA ILE 53 HA ILE 53 2.781 8.140 2.044
362 HB ILE 53 HB ILE 53 5.253 6.329 1.863
363 HG13 ILE 53 2HG1 ILE 53 5.192 7.904 3.802
364 HG21 ILE 53 1HG2 ILE 53 6.177 7.828 0.145
365 HG22 ILE 53 2HG2 ILE 53 4.700 7.107 -0.443
366 HG23 ILE 53 3HG2 ILE 53 4.681 8.777 0.138
367 HD11 ILE 53 3HD1 ILE 53 7.240 9.063 3.544
368 HD12 ILE 53 1HD1 ILE 53 7.419 7.524 2.671
369 HD13 ILE 53 2HD1 ILE 53 7.131 9.051 1.792
370 H TRP 54 H TRP 54 3.366 4.596 1.376
371 HA TRP 54 HA TRP 54 2.490 4.825 -1.341
372 HB3 TRP 54 2HB TRP 54 2.485 2.433 0.522
373 HD1 TRP 54 HD TRP 54 3.363 2.702 -3.210
374 HE1 TRP 54 1HE TRP 54 2.118 0.826 -4.442
375 HE3 TRP 54 3HE TRP 54 0.095 1.460 0.439
376 HZ2 TRP 54 2HZ TRP 54 -0.288 -0.770 -3.977
377 HZ3 TRP 54 3HZ TRP 54 -1.867 0.039 -0.042
378 HH2 TRP 54 HH TRP 54 -2.099 -1.014 -2.267
379 H PHE 55 H PHE 55 0.702 3.922 1.664
380 HA PHE 55 HA PHE 55 -1.794 3.474 0.312
381 HB3 PHE 55 2HB PHE 55 -2.718 4.119 2.601
382 HD1 PHE 55 2HD PHE 55 0.170 1.684 2.697
383 HD2 PHE 55 1HD PHE 55 -4.112 2.286 2.669
384 HE1 PHE 55 2HE PHE 55 -0.206 -0.764 2.921
385 HE2 PHE 55 1HE PHE 55 -4.437 -0.148 3.043
386 HZ PHE 55 HZ PHE 55 -2.471 -1.661 3.083
387 H GLN 56 H GLN 56 -0.286 6.416 1.782
388 HA GLN 56 HA GLN 56 -2.430 8.212 1.492
389 HB3 GLN 56 2HB GLN 56 -0.373 9.857 1.193
390 HG3 GLN 56 2HG GLN 56 0.385 8.736 3.674
391 HE21 GLN 56 1HE2 GLN 56 1.096 11.064 3.209
392 HE22 GLN 56 2HE2 GLN 56 0.036 12.361 3.687
393 H ASN 57 H ASN 57 -0.033 7.061 -1.009
394 HA ASN 57 HA ASN 57 -0.987 8.914 -3.004
395 HB3 ASN 57 2HB ASN 57 0.191 7.017 -4.435
396 HD21 ASN 57 1HD2 ASN 57 2.967 7.237 -2.983
397 HD22 ASN 57 2HD2 ASN 57 3.452 8.810 -3.524
398 H ARG 58 H ARG 58 -1.557 5.431 -2.339
399 HA ARG 58 HA ARG 58 -3.417 4.858 -4.429
400 HB3 ARG 58 2HB ARG 58 -4.270 3.190 -2.529
401 HG3 ARG 58 2HG ARG 58 -1.989 1.966 -2.611
402 HD3 ARG 58 2HD ARG 58 -3.551 2.561 -5.152
403 HE ARG 58 HE ARG 58 -1.266 1.223 -5.302
404 HH11 ARG 58 1HH1 ARG 58 -4.611 -0.031 -5.298
405 HH12 ARG 58 2HH1 ARG 58 -4.207 -1.542 -5.987
406 HH21 ARG 58 1HH2 ARG 58 -0.726 -0.779 -6.350
407 HH22 ARG 58 2HH2 ARG 58 -1.896 -2.040 -6.462
408 H ARG 59 H ARG 59 -4.036 6.028 -1.112
409 HA ARG 59 HA ARG 59 -6.852 6.279 -1.301
410 HB3 ARG 59 2HB ARG 59 -6.430 8.036 0.550
411 HG3 ARG 59 2HG ARG 59 -5.292 5.229 0.896
412 HD3 ARG 59 2HD ARG 59 -6.448 7.019 3.063
413 HE ARG 59 HE ARG 59 -5.786 4.517 3.367
414 HH11 ARG 59 1HH1 ARG 59 -3.734 7.294 4.222
415 HH12 ARG 59 2HH1 ARG 59 -2.703 6.382 5.256
416 HH21 ARG 59 1HH2 ARG 59 -4.391 3.299 4.632
417 HH22 ARG 59 2HH2 ARG 59 -3.025 4.009 5.432
418 H ALA 60 H ALA 60 -4.222 8.693 -2.043
419 HA ALA 60 HA ALA 60 -5.958 10.836 -2.505
420 HB1 ALA 60 1HB ALA 60 -4.184 11.816 -3.879
421 HB2 ALA 60 2HB ALA 60 -3.461 11.044 -2.460
422 HB3 ALA 60 3HB ALA 60 -3.377 10.249 -4.039
423 H LYS 61 H LYS 61 -4.827 8.391 -4.895
424 HA LYS 61 HA LYS 61 -6.417 9.405 -6.999
425 HB3 LYS 61 2HB LYS 61 -5.875 6.427 -6.772
426 HG3 LYS 61 2HG LYS 61 -5.662 8.566 -8.926
427 HD3 LYS 61 2HD LYS 61 -3.956 6.648 -9.027
428 HE3 LYS 61 2HE LYS 61 -6.486 5.244 -9.998
429 HZ1 LYS 61 3HZ LYS 61 -3.676 4.321 -10.286
430 HZ2 LYS 61 1HZ LYS 61 -4.632 4.879 -11.494
431 HZ3 LYS 61 2HZ LYS 61 -5.030 3.496 -10.697
432 H TRP 62 H TRP 62 -7.208 6.958 -4.554
433 HA TRP 62 HA TRP 62 -9.871 6.332 -5.400
434 HB3 TRP 62 2HB TRP 62 -8.698 6.397 -2.617
435 HD1 TRP 62 HD TRP 62 -11.606 4.305 -4.115
436 HE1 TRP 62 1HE TRP 62 -13.508 4.214 -2.423
437 HE3 TRP 62 3HE TRP 62 -9.800 7.707 -0.834
438 HZ2 TRP 62 2HZ TRP 62 -14.116 5.404 0.153
439 HZ3 TRP 62 3HZ TRP 62 -11.167 8.309 1.249
440 HH2 TRP 62 HH TRP 62 -13.228 7.075 1.770
441 H LYS 63 H LYS 63 -8.732 9.158 -3.483
442 HA LYS 63 HA LYS 63 -11.313 10.070 -2.777
443 HB3 LYS 63 2HB LYS 63 -10.216 12.369 -2.659
444 HG3 LYS 63 2HG LYS 63 -8.452 11.692 -0.945
445 HD3 LYS 63 2HD LYS 63 -10.988 10.202 -0.320
446 HE3 LYS 63 2HE LYS 63 -10.862 11.158 1.813
447 HZ1 LYS 63 3HZ LYS 63 -7.969 11.042 1.264
448 HZ2 LYS 63 1HZ LYS 63 -8.878 9.675 1.506
449 HZ3 LYS 63 2HZ LYS 63 -8.746 10.810 2.678
450 H ARG 64 H ARG 64 -9.605 10.419 -5.920
451 HA ARG 64 HA ARG 64 -11.652 12.236 -6.922
452 HB3 ARG 64 2HB ARG 64 -10.610 11.555 -9.170
453 HG3 ARG 64 2HG ARG 64 -8.205 12.448 -8.509
454 HD3 ARG 64 2HD ARG 64 -10.570 14.335 -8.246
455 HE ARG 64 HE ARG 64 -8.791 15.759 -8.331
456 HH11 ARG 64 1HH1 ARG 64 -8.330 13.306 -10.867
457 HH12 ARG 64 2HH1 ARG 64 -7.000 14.131 -11.613
458 HH21 ARG 64 1HH2 ARG 64 -6.916 16.788 -9.272
459 HH22 ARG 64 2HH2 ARG 64 -6.043 15.955 -10.530
460 H ILE 65 H ILE 65 -11.349 8.940 -6.622
461 HA ILE 65 HA ILE 65 -13.185 8.233 -8.835
462 HB ILE 65 HB ILE 65 -11.705 6.489 -6.824
463 HG13 ILE 65 2HG1 ILE 65 -10.359 7.812 -8.638
464 HG21 ILE 65 1HG2 ILE 65 -13.704 5.295 -7.585
465 HG22 ILE 65 2HG2 ILE 65 -13.338 5.693 -9.268
466 HG23 ILE 65 3HG2 ILE 65 -12.300 4.574 -8.350
467 HD11 ILE 65 3HD1 ILE 65 -9.293 5.926 -7.510
468 HD12 ILE 65 1HD1 ILE 65 -10.112 4.781 -8.583
469 HD13 ILE 65 2HD1 ILE 65 -8.922 5.917 -9.237
470 H LYS 66 H LYS 66 -13.278 8.239 -5.287
471 HA LYS 66 HA LYS 66 -15.740 6.844 -5.017
472 HB3 LYS 66 2HB LYS 66 -14.037 7.388 -3.211
473 HG3 LYS 66 2HG LYS 66 -15.648 9.943 -2.927
474 HD3 LYS 66 2HD LYS 66 -13.100 9.009 -1.714
475 HE3 LYS 66 2HE LYS 66 -12.889 11.402 -2.210
476 HZ1 LYS 66 3HZ LYS 66 -14.513 13.003 -1.572
477 HZ2 LYS 66 1HZ LYS 66 -15.488 11.879 -0.915
478 HZ3 LYS 66 2HZ LYS 66 -15.245 11.916 -2.547
479 H ALA 67 H ALA 67 -17.463 7.424 -6.105
480 HA ALA 67 HA ALA 67 -19.317 8.477 -6.847
481 HB1 ALA 67 1HB ALA 67 -18.589 10.868 -5.119
482 HB2 ALA 67 2HB ALA 67 -20.152 10.511 -5.870
483 HB3 ALA 67 3HB ALA 67 -19.542 9.463 -4.592
484 H GLY 68 H GLY 68 -16.538 10.686 -6.754
485 HA2 GLY 68 1HA GLY 68 -15.542 11.920 -8.493
486 HA3 GLY 68 2HA GLY 68 -16.600 11.115 -9.646
487 H ASN 69 H ASN 69 -16.134 13.878 -7.640
488 HA ASN 69 HA ASN 69 -17.081 15.877 -7.350
489 HB3 ASN 69 2HB ASN 69 -18.094 15.590 -10.192
490 HD21 ASN 69 1HD2 ASN 69 -15.948 17.943 -8.426
491 HD22 ASN 69 2HD2 ASN 69 -17.042 19.288 -8.712
492 H VAL 70 H VAL 70 -18.999 13.436 -7.031
493 HA VAL 70 HA VAL 70 -21.080 12.944 -6.554
494 HB VAL 70 HB VAL 70 -20.577 14.376 -4.641
495 HG11 VAL 70 1HG1 VAL 70 -20.657 16.674 -5.496
496 HG12 VAL 70 2HG1 VAL 70 -22.390 16.486 -5.855
497 HG13 VAL 70 3HG1 VAL 70 -21.792 16.420 -4.195
498 HG21 VAL 70 3HG2 VAL 70 -22.768 14.221 -3.721
499 HG22 VAL 70 1HG2 VAL 70 -23.516 14.255 -5.338
500 HG23 VAL 70 2HG2 VAL 70 -22.533 12.875 -4.843
501 H SER 71 H SER 71 -20.630 13.198 -9.015
502 HA SER 71 HA SER 71 -22.576 14.747 -10.533
503 HB3 SER 71 2HB SER 71 -21.755 13.544 -12.414
504 HG SER 71 HG SER 71 -19.487 13.545 -10.688
Start of MODEL 17
1 H1 SER 1 H SER 1 -2.040 9.487 -10.131
2 HA SER 1 HA SER 1 -2.506 7.603 -11.622
3 HB3 SER 1 2HB SER 1 -0.008 8.558 -13.067
4 HG SER 1 HG SER 1 -0.494 6.760 -14.391
5 H ALA 2 H ALA 2 -2.120 6.011 -10.210
6 HA ALA 2 HA ALA 2 0.633 5.021 -10.040
7 HB1 ALA 2 1HB ALA 2 0.477 4.536 -7.625
8 HB2 ALA 2 2HB ALA 2 0.522 6.265 -7.966
9 HB3 ALA 2 3HB ALA 2 -1.006 5.490 -7.524
10 HA PRO 3 HA PRO 3 -2.595 1.780 -10.864
11 HB3 PRO 3 2HB PRO 3 -2.243 2.025 -13.147
12 HG3 PRO 3 2HG PRO 3 -0.098 2.546 -14.028
13 HD3 PRO 3 2HD PRO 3 -0.460 4.298 -12.522
14 H GLY 4 H GLY 4 -1.713 -0.850 -11.363
15 HA2 GLY 4 1HA GLY 4 0.492 -1.456 -9.501
16 HA3 GLY 4 2HA GLY 4 -1.111 -1.984 -8.995
17 H GLY 5 H GLY 5 -1.829 -2.525 -11.975
18 HA2 GLY 5 1HA GLY 5 -0.959 -5.280 -12.030
19 HA3 GLY 5 2HA GLY 5 -1.951 -4.432 -13.231
20 H LYS 6 H LYS 6 1.357 -4.736 -12.015
21 HA LYS 6 HA LYS 6 2.292 -5.402 -14.626
22 HB3 LYS 6 2HB LYS 6 3.648 -2.980 -13.357
23 HG3 LYS 6 2HG LYS 6 3.939 -4.380 -16.049
24 HD3 LYS 6 2HD LYS 6 5.314 -1.907 -14.929
25 HE3 LYS 6 2HE LYS 6 5.537 -3.238 -17.671
26 HZ1 LYS 6 3HZ LYS 6 7.218 -1.159 -16.417
27 HZ2 LYS 6 1HZ LYS 6 6.092 -0.837 -17.540
28 HZ3 LYS 6 2HZ LYS 6 7.379 -1.785 -17.951
29 H SER 7 H SER 7 3.731 -7.003 -14.255
30 HA SER 7 HA SER 7 4.289 -8.050 -11.803
31 HB3 SER 7 2HB SER 7 4.689 -9.656 -13.290
32 HG SER 7 HG SER 7 5.535 -7.696 -15.216
33 H ARG 8 H ARG 8 6.161 -8.341 -10.514
34 HA ARG 8 HA ARG 8 8.496 -6.703 -10.810
35 HB3 ARG 8 2HB ARG 8 6.933 -6.023 -8.310
36 HG3 ARG 8 2HG ARG 8 8.737 -4.434 -10.197
37 HD3 ARG 8 2HD ARG 8 8.911 -2.865 -8.281
38 HE ARG 8 HE ARG 8 6.028 -2.831 -8.839
39 HH11 ARG 8 1HH1 ARG 8 9.268 -2.043 -10.114
40 HH12 ARG 8 2HH1 ARG 8 8.721 -0.670 -11.010
41 HH21 ARG 8 1HH2 ARG 8 5.282 -1.395 -10.444
42 HH22 ARG 8 2HH2 ARG 8 6.365 -0.303 -11.249
43 H ARG 9 H ARG 9 9.920 -6.973 -8.699
44 HA ARG 9 HA ARG 9 9.210 -9.277 -7.045
45 HB3 ARG 9 2HB ARG 9 10.188 -10.331 -9.032
46 HG3 ARG 9 2HG ARG 9 12.745 -8.815 -8.306
47 HD3 ARG 9 2HD ARG 9 13.114 -11.121 -9.156
48 HE ARG 9 HE ARG 9 11.099 -10.499 -11.065
49 HH11 ARG 9 1HH1 ARG 9 14.263 -12.096 -10.920
50 HH12 ARG 9 2HH1 ARG 9 13.916 -13.200 -12.196
51 HH21 ARG 9 1HH2 ARG 9 10.642 -11.852 -12.717
52 HH22 ARG 9 2HH2 ARG 9 11.734 -13.000 -13.363
53 H ARG 10 H ARG 10 11.335 -9.797 -5.609
54 HA ARG 10 HA ARG 10 12.095 -7.458 -4.137
55 HB3 ARG 10 2HB ARG 10 13.321 -10.259 -4.226
56 HG3 ARG 10 2HG ARG 10 13.542 -8.025 -2.152
57 HD3 ARG 10 2HD ARG 10 14.466 -10.909 -1.931
58 HE ARG 10 HE ARG 10 15.472 -8.863 -0.538
59 HH11 ARG 10 1HH1 ARG 10 13.310 -11.497 0.530
60 HH12 ARG 10 2HH1 ARG 10 13.596 -11.198 2.218
61 HH21 ARG 10 1HH2 ARG 10 16.100 -8.803 1.662
62 HH22 ARG 10 2HH2 ARG 10 15.222 -9.737 2.851
63 H ARG 11 H ARG 11 12.730 -6.093 -5.800
64 HA ARG 11 HA ARG 11 15.578 -5.741 -5.968
65 HB3 ARG 11 2HB ARG 11 15.008 -5.606 -8.734
66 HG3 ARG 11 2HG ARG 11 16.509 -7.549 -6.961
67 HD3 ARG 11 2HD ARG 11 15.494 -8.943 -8.734
68 HE ARG 11 HE ARG 11 16.125 -6.723 -10.431
69 HH11 ARG 11 1HH1 ARG 11 16.240 -10.343 -10.573
70 HH12 ARG 11 2HH1 ARG 11 16.145 -10.291 -12.318
71 HH21 ARG 11 1HH2 ARG 11 15.893 -6.855 -12.705
72 HH22 ARG 11 2HH2 ARG 11 16.057 -8.372 -13.479
73 H THR 12 H THR 12 13.049 -4.448 -5.018
74 HA THR 12 HA THR 12 13.381 -1.845 -6.307
75 HB THR 12 HB THR 12 10.556 -2.638 -5.729
76 HG1 THR 12 1HG THR 12 11.026 -4.458 -6.837
77 HG21 THR 12 3HG2 THR 12 11.221 -0.391 -6.642
78 HG22 THR 12 1HG2 THR 12 10.103 -1.243 -7.694
79 HG23 THR 12 2HG2 THR 12 11.821 -1.192 -8.096
80 H ALA 13 H ALA 13 11.737 -0.331 -4.894
81 HA ALA 13 HA ALA 13 12.402 -0.265 -2.194
82 HB1 ALA 13 1HB ALA 13 11.429 1.607 -3.447
83 HB2 ALA 13 2HB ALA 13 9.912 0.702 -3.656
84 HB3 ALA 13 3HB ALA 13 10.399 1.221 -2.048
85 H PHE 14 H PHE 14 10.269 -2.537 -3.765
86 HA PHE 14 HA PHE 14 9.309 -3.606 -1.255
87 HB3 PHE 14 2HB PHE 14 7.001 -3.784 -2.187
88 HD1 PHE 14 1HD PHE 14 8.087 -0.490 -3.430
89 HD2 PHE 14 2HD PHE 14 6.537 -2.606 -0.060
90 HE1 PHE 14 1HE PHE 14 7.630 1.692 -2.284
91 HE2 PHE 14 2HE PHE 14 5.976 -0.446 1.065
92 HZ PHE 14 HZ PHE 14 6.566 1.673 -0.005
93 H THR 15 H THR 15 8.137 -5.837 -2.031
94 HA THR 15 HA THR 15 9.789 -7.055 -4.160
95 HB THR 15 HB THR 15 9.899 -9.038 -2.841
96 HG1 THR 15 1HG THR 15 8.995 -9.069 -0.729
97 HG21 THR 15 3HG2 THR 15 11.286 -8.338 -0.993
98 HG22 THR 15 1HG2 THR 15 10.414 -6.810 -0.839
99 HG23 THR 15 2HG2 THR 15 11.474 -7.044 -2.209
100 H SER 16 H SER 16 8.357 -9.576 -4.203
101 HA SER 16 HA SER 16 5.884 -8.824 -5.574
102 HB3 SER 16 2HB SER 16 5.590 -11.308 -5.637
103 HG SER 16 HG SER 16 6.740 -10.532 -7.286
104 H GLU 17 H GLU 17 6.883 -10.339 -2.533
105 HA GLU 17 HA GLU 17 4.357 -10.729 -1.228
106 HB3 GLU 17 2HB GLU 17 5.914 -10.530 0.811
107 HG3 GLU 17 2HG GLU 17 6.738 -12.389 -1.466
108 H GLN 18 H GLN 18 6.642 -8.019 -0.617
109 HA GLN 18 HA GLN 18 4.634 -6.586 0.735
110 HB3 GLN 18 2HB GLN 18 6.374 -4.688 0.584
111 HG3 GLN 18 2HG GLN 18 7.426 -7.380 1.476
112 HE21 GLN 18 1HE2 GLN 18 8.791 -6.059 3.695
113 HE22 GLN 18 2HE2 GLN 18 10.108 -5.077 3.078
114 H LEU 19 H LEU 19 4.429 -7.070 -2.468
115 HA LEU 19 HA LEU 19 2.890 -4.529 -2.842
116 HB3 LEU 19 2HB LEU 19 2.989 -5.350 -5.331
117 HG LEU 19 HG LEU 19 5.634 -4.536 -4.055
118 HD11 LEU 19 1HD1 LEU 19 5.968 -3.582 -6.332
119 HD12 LEU 19 2HD1 LEU 19 4.482 -4.422 -6.853
120 HD13 LEU 19 3HD1 LEU 19 5.862 -5.387 -6.268
121 HD21 LEU 19 3HD2 LEU 19 4.022 -2.903 -3.411
122 HD22 LEU 19 1HD2 LEU 19 3.329 -2.837 -5.068
123 HD23 LEU 19 2HD2 LEU 19 4.977 -2.252 -4.736
124 H LEU 20 H LEU 20 2.662 -7.878 -2.375
125 HA LEU 20 HA LEU 20 -0.124 -8.081 -3.379
126 HB3 LEU 20 2HB LEU 20 1.656 -10.052 -1.870
127 HG LEU 20 HG LEU 20 -0.932 -10.402 -1.902
128 HD11 LEU 20 1HD1 LEU 20 -1.329 -9.762 -4.268
129 HD12 LEU 20 2HD1 LEU 20 -1.810 -11.442 -3.961
130 HD13 LEU 20 3HD1 LEU 20 -0.277 -11.098 -4.807
131 HD21 LEU 20 3HD2 LEU 20 0.489 -12.134 -1.225
132 HD22 LEU 20 1HD2 LEU 20 1.089 -12.432 -2.878
133 HD23 LEU 20 2HD2 LEU 20 -0.594 -12.827 -2.432
134 H GLU 21 H GLU 21 1.690 -8.462 -0.295
135 HA GLU 21 HA GLU 21 -0.567 -8.630 1.422
136 HB3 GLU 21 2HB GLU 21 1.532 -9.408 2.039
137 HG3 GLU 21 2HG GLU 21 2.931 -6.966 2.723
138 H LEU 22 H LEU 22 0.766 -5.953 -0.154
139 HA LEU 22 HA LEU 22 -0.117 -3.878 1.723
140 HB3 LEU 22 2HB LEU 22 0.433 -2.557 -0.612
141 HG LEU 22 HG LEU 22 1.524 -2.317 1.577
142 HD11 LEU 22 1HD1 LEU 22 2.172 -4.469 2.276
143 HD12 LEU 22 2HD1 LEU 22 3.720 -3.669 1.902
144 HD13 LEU 22 3HD1 LEU 22 2.992 -4.811 0.773
145 HD21 LEU 22 3HD2 LEU 22 2.406 -1.029 -0.213
146 HD22 LEU 22 1HD2 LEU 22 3.232 -2.400 -0.919
147 HD23 LEU 22 2HD2 LEU 22 3.837 -1.725 0.607
148 H GLU 23 H GLU 23 -1.301 -5.199 -1.446
149 HA GLU 23 HA GLU 23 -3.577 -3.414 -1.338
150 HB3 GLU 23 2HB GLU 23 -2.819 -4.098 -3.518
151 HG3 GLU 23 2HG GLU 23 -3.208 -6.903 -2.478
152 H LYS 24 H LYS 24 -2.798 -6.512 -0.025
153 HA LYS 24 HA LYS 24 -5.379 -7.554 0.443
154 HB3 LYS 24 2HB LYS 24 -3.818 -8.150 2.708
155 HG3 LYS 24 2HG LYS 24 -5.082 -9.746 0.991
156 HD3 LYS 24 2HD LYS 24 -3.175 -11.246 0.046
157 HE3 LYS 24 2HE LYS 24 -2.868 -9.861 -2.080
158 HZ1 LYS 24 3HZ LYS 24 -4.844 -10.545 -2.845
159 HZ2 LYS 24 1HZ LYS 24 -5.719 -10.028 -1.582
160 HZ3 LYS 24 2HZ LYS 24 -4.844 -11.431 -1.449
161 H GLU 25 H GLU 25 -3.399 -5.567 2.693
162 HA GLU 25 HA GLU 25 -5.328 -5.321 4.658
163 HB3 GLU 25 2HB GLU 25 -3.926 -3.053 5.134
164 HG3 GLU 25 2HG GLU 25 -2.047 -4.380 6.025
165 H PHE 26 H PHE 26 -5.051 -3.289 1.787
166 HA PHE 26 HA PHE 26 -6.631 -1.134 2.977
167 HB3 PHE 26 2HB PHE 26 -5.935 -1.623 0.072
168 HD1 PHE 26 1HD PHE 26 -6.254 1.203 2.574
169 HD2 PHE 26 2HD PHE 26 -7.095 -0.195 -1.415
170 HE1 PHE 26 1HE PHE 26 -7.392 3.342 2.049
171 HE2 PHE 26 2HE PHE 26 -8.211 1.955 -1.939
172 HZ PHE 26 HZ PHE 26 -8.385 3.722 -0.192
173 H HIS 27 H HIS 27 -7.425 -4.175 1.605
174 HA HIS 27 HA HIS 27 -9.961 -3.500 0.434
175 HB3 HIS 27 2HB HIS 27 -9.491 -6.218 1.591
176 HD1 HIS 27 1HD HIS 27 -9.064 -5.431 -2.089
177 HD2 HIS 27 2HD HIS 27 -12.096 -6.564 0.613
178 HE1 HIS 27 1HE HIS 27 -11.024 -6.242 -3.519
179 H CYS 28 H CYS 28 -8.814 -3.967 3.742
180 HA CYS 28 HA CYS 28 -11.611 -3.951 4.769
181 HB3 CYS 28 2HB CYS 28 -10.855 -5.308 6.598
182 HG CYS 28 HG CYS 28 -9.481 -7.447 5.538
183 H LYS 29 H LYS 29 -8.218 -3.041 5.804
184 HA LYS 29 HA LYS 29 -9.465 -0.967 7.564
185 HB3 LYS 29 2HB LYS 29 -7.131 -0.784 8.474
186 HG3 LYS 29 2HG LYS 29 -9.058 -1.936 9.590
187 HD3 LYS 29 2HD LYS 29 -8.575 -4.219 8.053
188 HE3 LYS 29 2HE LYS 29 -8.123 -5.880 9.947
189 HZ1 LYS 29 3HZ LYS 29 -5.807 -5.949 9.502
190 HZ2 LYS 29 1HZ LYS 29 -5.734 -4.392 9.026
191 HZ3 LYS 29 2HZ LYS 29 -6.564 -5.495 8.132
192 H LYS 30 H LYS 30 -10.090 0.344 5.921
193 HA LYS 30 HA LYS 30 -8.457 1.329 3.826
194 HB3 LYS 30 2HB LYS 30 -10.097 3.300 3.845
195 HG3 LYS 30 2HG LYS 30 -12.185 1.936 3.503
196 HD3 LYS 30 2HD LYS 30 -9.741 0.979 1.968
197 HE3 LYS 30 2HE LYS 30 -11.425 0.771 0.110
198 HZ1 LYS 30 3HZ LYS 30 -12.261 -1.056 2.243
199 HZ2 LYS 30 1HZ LYS 30 -10.758 -1.189 1.511
200 HZ3 LYS 30 2HZ LYS 30 -12.159 -1.332 0.655
201 H TYR 31 H TYR 31 -8.408 2.234 7.258
202 HA TYR 31 HA TYR 31 -6.217 4.136 6.643
203 HB3 TYR 31 2HB TYR 31 -7.064 5.727 8.258
204 HD1 TYR 31 2HD TYR 31 -10.383 4.635 7.033
205 HD2 TYR 31 1HD TYR 31 -7.009 7.215 6.309
206 HE1 TYR 31 2HE TYR 31 -11.788 6.028 5.594
207 HE2 TYR 31 1HE TYR 31 -8.425 8.659 4.876
208 HH TYR 31 HH TYR 31 -11.944 8.035 4.509
209 H LEU 32 H LEU 32 -4.736 2.793 7.400
210 HA LEU 32 HA LEU 32 -4.914 0.984 9.585
211 HB3 LEU 32 2HB LEU 32 -2.429 1.017 9.570
212 HG LEU 32 HG LEU 32 -3.504 1.062 6.714
213 HD11 LEU 32 1HD1 LEU 32 -1.104 1.279 6.709
214 HD12 LEU 32 2HD1 LEU 32 -1.489 -0.389 6.289
215 HD13 LEU 32 3HD1 LEU 32 -0.921 -0.006 7.923
216 HD21 LEU 32 3HD2 LEU 32 -3.493 -1.457 7.019
217 HD22 LEU 32 1HD2 LEU 32 -4.716 -0.608 7.970
218 HD23 LEU 32 2HD2 LEU 32 -3.213 -1.172 8.756
219 H SER 33 H SER 33 -4.621 1.161 11.724
220 HA SER 33 HA SER 33 -4.361 3.754 13.013
221 HB3 SER 33 2HB SER 33 -5.284 1.260 13.799
222 HG SER 33 HG SER 33 -3.955 0.663 15.534
223 H LEU 34 H LEU 34 -2.479 4.128 14.586
224 HA LEU 34 HA LEU 34 -0.005 4.133 13.116
225 HB3 LEU 34 2HB LEU 34 0.136 4.552 16.064
226 HG LEU 34 HG LEU 34 0.575 6.254 13.602
227 HD11 LEU 34 1HD1 LEU 34 -0.058 7.703 15.467
228 HD12 LEU 34 2HD1 LEU 34 1.677 7.901 15.128
229 HD13 LEU 34 3HD1 LEU 34 1.153 6.926 16.514
230 HD21 LEU 34 3HD2 LEU 34 2.301 4.469 13.900
231 HD22 LEU 34 1HD2 LEU 34 2.590 5.026 15.553
232 HD23 LEU 34 2HD2 LEU 34 3.002 6.060 14.178
233 H THR 35 H THR 35 -1.271 2.321 15.884
234 HA THR 35 HA THR 35 0.990 0.690 16.350
235 HB THR 35 HB THR 35 -1.883 -0.038 16.883
236 HG1 THR 35 1HG THR 35 -0.430 1.722 18.558
237 HG21 THR 35 3HG2 THR 35 -0.344 -1.703 17.671
238 HG22 THR 35 1HG2 THR 35 -0.968 -0.807 19.073
239 HG23 THR 35 2HG2 THR 35 0.667 -0.482 18.460
240 H GLU 36 H GLU 36 -1.850 0.297 14.197
241 HA GLU 36 HA GLU 36 -1.303 -2.442 13.420
242 HB3 GLU 36 2HB GLU 36 -2.687 -1.785 11.389
243 HG3 GLU 36 2HG GLU 36 -3.808 -1.258 14.179
244 H ARG 37 H ARG 37 -0.574 0.774 11.934
245 HA ARG 37 HA ARG 37 0.952 -0.262 9.786
246 HB3 ARG 37 2HB ARG 37 1.147 2.427 11.223
247 HG3 ARG 37 2HG ARG 37 2.353 1.397 8.644
248 HD3 ARG 37 2HD ARG 37 2.709 3.811 8.018
249 HE ARG 37 HE ARG 37 0.641 2.275 7.298
250 HH11 ARG 37 1HH1 ARG 37 0.421 5.670 8.354
251 HH12 ARG 37 2HH1 ARG 37 -0.644 6.138 7.073
252 HH21 ARG 37 1HH2 ARG 37 -0.838 2.936 5.590
253 HH22 ARG 37 2HH2 ARG 37 -1.168 4.641 5.412
254 H SER 38 H SER 38 1.910 0.457 13.142
255 HA SER 38 HA SER 38 4.675 -0.076 12.798
256 HB3 SER 38 2HB SER 38 3.102 -0.673 15.334
257 HG SER 38 HG SER 38 5.222 -1.053 15.619
258 H GLN 39 H GLN 39 1.997 -2.342 13.850
259 HA GLN 39 HA GLN 39 3.699 -4.606 13.982
260 HB3 GLN 39 2HB GLN 39 1.533 -5.906 13.583
261 HG3 GLN 39 2HG GLN 39 1.076 -4.003 15.864
262 HE21 GLN 39 1HE2 GLN 39 0.990 -5.377 17.961
263 HE22 GLN 39 2HE2 GLN 39 0.145 -6.905 17.804
264 H ILE 40 H ILE 40 1.708 -3.453 11.337
265 HA ILE 40 HA ILE 40 2.238 -5.430 9.364
266 HB ILE 40 HB ILE 40 1.661 -2.448 9.228
267 HG13 ILE 40 2HG1 ILE 40 -0.107 -4.242 9.963
268 HG21 ILE 40 1HG2 ILE 40 1.758 -4.311 6.827
269 HG22 ILE 40 2HG2 ILE 40 1.262 -2.601 6.835
270 HG23 ILE 40 3HG2 ILE 40 2.931 -3.016 7.158
271 HD11 ILE 40 3HD1 ILE 40 -0.725 -1.918 9.279
272 HD12 ILE 40 1HD1 ILE 40 -0.859 -2.489 7.593
273 HD13 ILE 40 2HD1 ILE 40 -1.924 -3.143 8.837
274 H ALA 41 H ALA 41 3.992 -2.308 9.966
275 HA ALA 41 HA ALA 41 5.993 -2.807 8.061
276 HB1 ALA 41 1HB ALA 41 6.223 -1.168 10.625
277 HB2 ALA 41 2HB ALA 41 7.266 -1.042 9.191
278 HB3 ALA 41 3HB ALA 41 5.563 -0.583 9.063
279 H HIS 42 H HIS 42 5.877 -3.720 11.515
280 HA HIS 42 HA HIS 42 8.516 -4.801 11.630
281 HB3 HIS 42 2HB HIS 42 7.304 -6.285 13.488
282 HD1 HIS 42 1HD HIS 42 9.179 -5.611 15.144
283 HD2 HIS 42 2HD HIS 42 7.244 -2.376 13.262
284 HE1 HIS 42 1HE HIS 42 10.333 -3.494 15.967
285 H ALA 43 H ALA 43 5.386 -6.412 10.989
286 HA ALA 43 HA ALA 43 6.310 -9.053 10.713
287 HB1 ALA 43 1HB ALA 43 3.936 -7.626 9.403
288 HB2 ALA 43 2HB ALA 43 4.171 -9.376 9.466
289 HB3 ALA 43 3HB ALA 43 3.930 -8.456 10.970
290 H LEU 44 H LEU 44 5.564 -6.659 8.158
291 HA LEU 44 HA LEU 44 6.519 -8.359 6.038
292 HB3 LEU 44 2HB LEU 44 6.088 -6.489 4.585
293 HG LEU 44 HG LEU 44 3.927 -6.418 6.724
294 HD11 LEU 44 1HD1 LEU 44 2.543 -5.630 4.797
295 HD12 LEU 44 2HD1 LEU 44 4.054 -5.458 3.856
296 HD13 LEU 44 3HD1 LEU 44 3.787 -4.487 5.322
297 HD21 LEU 44 3HD2 LEU 44 4.484 -8.249 4.416
298 HD22 LEU 44 1HD2 LEU 44 2.827 -7.987 4.977
299 HD23 LEU 44 2HD2 LEU 44 4.053 -8.666 6.076
300 H LYS 45 H LYS 45 8.357 -6.604 8.262
301 HA LYS 45 HA LYS 45 10.392 -5.647 8.307
302 HB3 LYS 45 2HB LYS 45 11.195 -7.025 5.713
303 HG3 LYS 45 2HG LYS 45 12.678 -5.550 7.391
304 HD3 LYS 45 2HD LYS 45 13.029 -8.369 8.512
305 HE3 LYS 45 2HE LYS 45 14.871 -6.686 8.774
306 HZ1 LYS 45 3HZ LYS 45 14.513 -4.934 10.381
307 HZ2 LYS 45 1HZ LYS 45 12.912 -5.316 10.550
308 HZ3 LYS 45 2HZ LYS 45 13.487 -4.722 9.134
309 H LEU 46 H LEU 46 8.481 -3.991 7.382
310 HA LEU 46 HA LEU 46 9.840 -2.350 5.317
311 HB3 LEU 46 2HB LEU 46 7.500 -1.172 5.319
312 HG LEU 46 HG LEU 46 7.636 -3.972 4.204
313 HD11 LEU 46 1HD1 LEU 46 5.341 -3.066 4.346
314 HD12 LEU 46 2HD1 LEU 46 5.869 -3.231 2.668
315 HD13 LEU 46 3HD1 LEU 46 5.839 -1.625 3.440
316 HD21 LEU 46 3HD2 LEU 46 9.453 -2.661 3.209
317 HD22 LEU 46 1HD2 LEU 46 8.342 -1.314 2.893
318 HD23 LEU 46 2HD2 LEU 46 8.159 -2.836 2.023
319 H SER 47 H SER 47 9.016 -0.043 5.847
320 HA SER 47 HA SER 47 9.493 0.573 8.718
321 HB3 SER 47 2HB SER 47 10.447 2.754 7.942
322 HG SER 47 HG SER 47 12.265 1.397 6.659
323 H GLU 48 H GLU 48 8.168 2.363 9.499
324 HA GLU 48 HA GLU 48 5.480 2.346 8.829
325 HB3 GLU 48 2HB GLU 48 5.394 4.698 9.776
326 HG3 GLU 48 2HG GLU 48 6.969 2.731 11.466
327 H VAL 49 H VAL 49 7.980 4.381 7.453
328 HA VAL 49 HA VAL 49 6.284 6.142 5.953
329 HB VAL 49 HB VAL 49 9.264 5.548 5.949
330 HG11 VAL 49 1HG1 VAL 49 9.533 7.682 4.676
331 HG12 VAL 49 2HG1 VAL 49 8.796 6.405 3.721
332 HG13 VAL 49 3HG1 VAL 49 7.777 7.710 4.393
333 HG21 VAL 49 3HG2 VAL 49 9.345 7.721 7.090
334 HG22 VAL 49 1HG2 VAL 49 7.587 7.913 6.908
335 HG23 VAL 49 2HG2 VAL 49 8.258 6.647 7.961
336 H GLN 50 H GLN 50 8.130 3.140 5.077
337 HA GLN 50 HA GLN 50 7.440 3.259 2.288
338 HB3 GLN 50 2HB GLN 50 7.848 0.808 2.389
339 HG3 GLN 50 2HG GLN 50 10.223 1.513 3.889
340 HE21 GLN 50 1HE2 GLN 50 9.107 1.827 0.380
341 HE22 GLN 50 2HE2 GLN 50 10.010 0.386 -0.061
342 H VAL 51 H VAL 51 5.800 2.048 5.246
343 HA VAL 51 HA VAL 51 3.750 0.727 3.740
344 HB VAL 51 HB VAL 51 3.588 1.757 6.589
345 HG11 VAL 51 1HG1 VAL 51 1.330 1.433 5.635
346 HG12 VAL 51 2HG1 VAL 51 1.779 -0.147 5.026
347 HG13 VAL 51 3HG1 VAL 51 1.697 0.104 6.765
348 HG21 VAL 51 3HG2 VAL 51 5.369 0.047 6.324
349 HG22 VAL 51 1HG2 VAL 51 3.989 -0.615 7.202
350 HG23 VAL 51 2HG2 VAL 51 4.236 -1.023 5.500
351 H LYS 52 H LYS 52 3.884 3.837 5.429
352 HA LYS 52 HA LYS 52 1.426 4.952 4.847
353 HB3 LYS 52 2HB LYS 52 4.159 6.071 5.412
354 HG3 LYS 52 2HG LYS 52 1.594 7.680 5.209
355 HD3 LYS 52 2HD LYS 52 4.176 8.015 6.770
356 HE3 LYS 52 2HE LYS 52 2.437 10.236 5.668
357 HZ1 LYS 52 3HZ LYS 52 2.950 10.641 7.999
358 HZ2 LYS 52 1HZ LYS 52 3.928 11.604 7.098
359 HZ3 LYS 52 2HZ LYS 52 4.550 10.259 7.777
360 H ILE 53 H ILE 53 4.454 5.413 2.896
361 HA ILE 53 HA ILE 53 3.344 7.308 1.126
362 HB ILE 53 HB ILE 53 5.693 5.393 0.837
363 HG13 ILE 53 2HG1 ILE 53 5.771 7.208 2.664
364 HG21 ILE 53 1HG2 ILE 53 6.460 6.602 -1.079
365 HG22 ILE 53 2HG2 ILE 53 4.785 6.262 -1.434
366 HG23 ILE 53 3HG2 ILE 53 5.251 7.872 -0.882
367 HD11 ILE 53 3HD1 ILE 53 7.872 6.448 1.591
368 HD12 ILE 53 1HD1 ILE 53 7.710 7.723 0.370
369 HD13 ILE 53 2HD1 ILE 53 7.927 8.163 2.056
370 H TRP 54 H TRP 54 3.610 3.707 0.741
371 HA TRP 54 HA TRP 54 2.361 3.765 -1.810
372 HB3 TRP 54 2HB TRP 54 2.249 1.535 0.220
373 HD1 TRP 54 HD TRP 54 3.269 1.391 -3.423
374 HE1 TRP 54 1HE TRP 54 1.844 -0.411 -4.619
375 HE3 TRP 54 3HE TRP 54 -0.260 0.790 0.155
376 HZ2 TRP 54 2HZ TRP 54 -0.635 -1.828 -4.080
377 HZ3 TRP 54 3HZ TRP 54 -2.131 -0.822 -0.158
378 HH2 TRP 54 HH TRP 54 -2.339 -2.075 -2.313
379 H PHE 55 H PHE 55 0.841 3.302 1.467
380 HA PHE 55 HA PHE 55 -1.844 3.045 0.489
381 HB3 PHE 55 2HB PHE 55 -2.340 4.186 2.841
382 HD1 PHE 55 2HD PHE 55 0.100 1.372 2.401
383 HD2 PHE 55 1HD PHE 55 -3.895 2.528 3.574
384 HE1 PHE 55 2HE PHE 55 -0.439 -0.971 2.933
385 HE2 PHE 55 1HE PHE 55 -4.372 0.132 4.186
386 HZ PHE 55 HZ PHE 55 -2.641 -1.572 3.828
387 H GLN 56 H GLN 56 0.159 5.886 1.113
388 HA GLN 56 HA GLN 56 -1.807 7.941 0.794
389 HB3 GLN 56 2HB GLN 56 0.451 9.026 -0.334
390 HG3 GLN 56 2HG GLN 56 0.470 8.698 2.693
391 HE21 GLN 56 1HE2 GLN 56 2.803 9.209 1.070
392 HE22 GLN 56 2HE2 GLN 56 3.212 10.888 1.333
393 H ASN 57 H ASN 57 0.129 6.115 -1.628
394 HA ASN 57 HA ASN 57 -0.827 7.673 -3.870
395 HB3 ASN 57 2HB ASN 57 0.137 5.270 -4.906
396 HD21 ASN 57 1HD2 ASN 57 2.991 6.213 -3.939
397 HD22 ASN 57 2HD2 ASN 57 3.293 7.592 -4.965
398 H ARG 58 H ARG 58 -1.674 4.552 -2.429
399 HA ARG 58 HA ARG 58 -3.707 3.781 -4.324
400 HB3 ARG 58 2HB ARG 58 -4.534 2.500 -2.155
401 HG3 ARG 58 2HG ARG 58 -2.789 0.900 -2.227
402 HD3 ARG 58 2HD ARG 58 -2.410 0.357 -4.603
403 HE ARG 58 HE ARG 58 -4.660 -0.065 -3.339
404 HH11 ARG 58 1HH1 ARG 58 -4.031 0.785 -6.699
405 HH12 ARG 58 2HH1 ARG 58 -5.531 0.166 -7.285
406 HH21 ARG 58 1HH2 ARG 58 -6.701 -0.916 -4.114
407 HH22 ARG 58 2HH2 ARG 58 -7.074 -0.761 -5.790
408 H ARG 59 H ARG 59 -3.978 5.488 -1.163
409 HA ARG 59 HA ARG 59 -6.782 5.795 -1.280
410 HB3 ARG 59 2HB ARG 59 -6.287 7.737 0.359
411 HG3 ARG 59 2HG ARG 59 -5.383 4.860 0.723
412 HD3 ARG 59 2HD ARG 59 -4.088 6.007 2.393
413 HE ARG 59 HE ARG 59 -6.220 7.825 2.633
414 HH11 ARG 59 1HH1 ARG 59 -4.120 5.994 4.806
415 HH12 ARG 59 2HH1 ARG 59 -3.876 7.269 5.939
416 HH21 ARG 59 1HH2 ARG 59 -5.970 9.540 4.089
417 HH22 ARG 59 2HH2 ARG 59 -4.962 9.397 5.491
418 H ALA 60 H ALA 60 -4.221 7.804 -2.771
419 HA ALA 60 HA ALA 60 -5.924 9.898 -3.666
420 HB1 ALA 60 1HB ALA 60 -3.439 8.720 -4.982
421 HB2 ALA 60 2HB ALA 60 -4.174 10.282 -5.355
422 HB3 ALA 60 3HB ALA 60 -3.456 9.997 -3.761
423 H LYS 61 H LYS 61 -4.877 6.876 -5.419
424 HA LYS 61 HA LYS 61 -6.594 7.428 -7.604
425 HB3 LYS 61 2HB LYS 61 -5.665 4.654 -6.785
426 HG3 LYS 61 2HG LYS 61 -6.373 6.086 -9.389
427 HD3 LYS 61 2HD LYS 61 -5.170 3.301 -9.155
428 HE3 LYS 61 2HE LYS 61 -6.005 5.131 -11.467
429 HZ1 LYS 61 3HZ LYS 61 -4.957 2.375 -11.600
430 HZ2 LYS 61 1HZ LYS 61 -4.087 3.776 -12.020
431 HZ3 LYS 61 2HZ LYS 61 -5.396 3.331 -12.853
432 H TRP 62 H TRP 62 -7.252 5.654 -4.580
433 HA TRP 62 HA TRP 62 -9.803 4.609 -5.198
434 HB3 TRP 62 2HB TRP 62 -8.702 5.789 -2.635
435 HD1 TRP 62 HD TRP 62 -11.497 3.291 -3.621
436 HE1 TRP 62 1HE TRP 62 -13.232 3.258 -1.751
437 HE3 TRP 62 3HE TRP 62 -9.351 6.741 -0.513
438 HZ2 TRP 62 2HZ TRP 62 -13.684 4.642 0.766
439 HZ3 TRP 62 3HZ TRP 62 -10.456 7.368 1.619
440 HH2 TRP 62 HH TRP 62 -12.611 6.324 2.265
441 H LYS 63 H LYS 63 -8.902 7.900 -3.956
442 HA LYS 63 HA LYS 63 -11.557 8.931 -3.981
443 HB3 LYS 63 2HB LYS 63 -10.375 11.168 -4.085
444 HG3 LYS 63 2HG LYS 63 -8.853 9.776 -1.981
445 HD3 LYS 63 2HD LYS 63 -11.200 11.714 -1.867
446 HE3 LYS 63 2HE LYS 63 -9.252 10.620 0.198
447 HZ1 LYS 63 3HZ LYS 63 -11.208 12.784 0.641
448 HZ2 LYS 63 1HZ LYS 63 -9.592 13.006 0.515
449 HZ3 LYS 63 2HZ LYS 63 -10.195 12.082 1.739
450 H ARG 64 H ARG 64 -9.407 8.321 -6.697
451 HA ARG 64 HA ARG 64 -10.997 9.942 -8.537
452 HB3 ARG 64 2HB ARG 64 -9.101 8.463 -9.991
453 HG3 ARG 64 2HG ARG 64 -7.580 10.434 -9.724
454 HD3 ARG 64 2HD ARG 64 -9.033 12.121 -10.760
455 HE ARG 64 HE ARG 64 -10.306 9.723 -11.864
456 HH11 ARG 64 1HH1 ARG 64 -7.281 11.624 -11.893
457 HH12 ARG 64 2HH1 ARG 64 -6.863 11.099 -13.488
458 HH21 ARG 64 1HH2 ARG 64 -9.769 9.134 -13.965
459 HH22 ARG 64 2HH2 ARG 64 -8.316 9.714 -14.707
460 H ILE 65 H ILE 65 -11.628 7.059 -7.093
461 HA ILE 65 HA ILE 65 -13.195 6.227 -9.460
462 HB ILE 65 HB ILE 65 -12.145 4.408 -7.260
463 HG13 ILE 65 2HG1 ILE 65 -10.350 5.158 -8.752
464 HG21 ILE 65 1HG2 ILE 65 -14.354 3.685 -8.159
465 HG22 ILE 65 2HG2 ILE 65 -13.718 3.781 -9.806
466 HG23 ILE 65 3HG2 ILE 65 -13.092 2.575 -8.661
467 HD11 ILE 65 3HD1 ILE 65 -10.351 2.798 -7.970
468 HD12 ILE 65 1HD1 ILE 65 -11.039 2.323 -9.548
469 HD13 ILE 65 2HD1 ILE 65 -9.452 3.096 -9.467
470 H LYS 66 H LYS 66 -13.134 6.584 -5.903
471 HA LYS 66 HA LYS 66 -15.899 5.745 -5.643
472 HB3 LYS 66 2HB LYS 66 -14.294 5.531 -3.781
473 HG3 LYS 66 2HG LYS 66 -13.882 8.420 -4.217
474 HD3 LYS 66 2HD LYS 66 -14.082 7.561 -1.335
475 HE3 LYS 66 2HE LYS 66 -14.129 10.223 -2.822
476 HZ1 LYS 66 3HZ LYS 66 -14.434 11.261 -0.792
477 HZ2 LYS 66 1HZ LYS 66 -14.167 9.887 0.106
478 HZ3 LYS 66 2HZ LYS 66 -15.548 10.065 -0.765
479 H ALA 67 H ALA 67 -14.588 8.719 -6.799
480 HA ALA 67 HA ALA 67 -16.981 10.290 -5.972
481 HB1 ALA 67 1HB ALA 67 -15.703 12.190 -6.861
482 HB2 ALA 67 2HB ALA 67 -14.812 11.343 -5.586
483 HB3 ALA 67 3HB ALA 67 -14.367 11.099 -7.303
484 H GLY 68 H GLY 68 -17.922 8.448 -7.488
485 HA2 GLY 68 1HA GLY 68 -19.167 8.214 -9.492
486 HA3 GLY 68 2HA GLY 68 -18.672 9.854 -9.956
487 H ASN 69 H ASN 69 -17.680 9.622 -11.975
488 HA ASN 69 HA ASN 69 -15.817 7.291 -12.319
489 HB3 ASN 69 2HB ASN 69 -16.900 6.747 -14.470
490 HD21 ASN 69 1HD2 ASN 69 -16.995 4.594 -14.062
491 HD22 ASN 69 2HD2 ASN 69 -18.040 3.901 -12.837
492 H VAL 70 H VAL 70 -14.399 9.110 -12.132
493 HA VAL 70 HA VAL 70 -13.989 10.694 -14.575
494 HB VAL 70 HB VAL 70 -12.161 10.401 -12.171
495 HG11 VAL 70 1HG1 VAL 70 -11.134 11.328 -14.296
496 HG12 VAL 70 2HG1 VAL 70 -12.385 12.573 -14.318
497 HG13 VAL 70 3HG1 VAL 70 -11.198 12.518 -12.990
498 HG21 VAL 70 3HG2 VAL 70 -14.272 11.309 -11.345
499 HG22 VAL 70 1HG2 VAL 70 -13.070 12.604 -11.439
500 HG23 VAL 70 2HG2 VAL 70 -14.330 12.475 -12.682
501 H SER 71 H SER 71 -14.190 8.478 -15.704
502 HA SER 71 HA SER 71 -11.516 7.405 -16.322
503 HB3 SER 71 2HB SER 71 -13.213 5.884 -17.005
504 HG SER 71 HG SER 71 -14.763 7.100 -18.631
Start of MODEL 18
1 H1 SER 1 H SER 1 -6.800 -3.860 -17.565
2 HA SER 1 HA SER 1 -5.638 -1.218 -16.929
3 HB3 SER 1 2HB SER 1 -7.568 -1.164 -15.195
4 HG SER 1 HG SER 1 -9.032 -0.476 -16.948
5 H ALA 2 H ALA 2 -3.642 -2.288 -16.362
6 HA ALA 2 HA ALA 2 -3.639 -3.226 -13.580
7 HB1 ALA 2 1HB ALA 2 -3.867 -5.313 -14.846
8 HB2 ALA 2 2HB ALA 2 -2.450 -4.895 -15.832
9 HB3 ALA 2 3HB ALA 2 -2.268 -5.157 -14.094
10 HA PRO 3 HA PRO 3 -0.313 -0.257 -14.809
11 HB3 PRO 3 2HB PRO 3 -1.558 1.445 -13.812
12 HG3 PRO 3 2HG PRO 3 -2.827 1.039 -11.805
13 HD3 PRO 3 2HD PRO 3 -3.624 -0.415 -13.497
14 H GLY 4 H GLY 4 -0.506 -2.728 -12.425
15 HA2 GLY 4 1HA GLY 4 1.826 -2.062 -10.859
16 HA3 GLY 4 2HA GLY 4 0.788 -3.495 -10.779
17 H GLY 5 H GLY 5 3.130 -4.307 -10.395
18 HA2 GLY 5 1HA GLY 5 4.489 -6.001 -11.151
19 HA3 GLY 5 2HA GLY 5 3.789 -5.833 -12.758
20 H LYS 6 H LYS 6 5.787 -3.992 -10.536
21 HA LYS 6 HA LYS 6 8.023 -3.998 -12.439
22 HB3 LYS 6 2HB LYS 6 8.688 -1.674 -11.671
23 HG3 LYS 6 2HG LYS 6 6.087 -1.817 -13.253
24 HD3 LYS 6 2HD LYS 6 8.135 0.413 -12.868
25 HE3 LYS 6 2HE LYS 6 5.833 0.048 -14.828
26 HZ1 LYS 6 3HZ LYS 6 7.559 2.403 -14.420
27 HZ2 LYS 6 1HZ LYS 6 5.918 2.324 -14.041
28 HZ3 LYS 6 2HZ LYS 6 6.442 2.206 -15.597
29 H SER 7 H SER 7 10.074 -3.655 -11.168
30 HA SER 7 HA SER 7 11.498 -4.065 -9.488
31 HB3 SER 7 2HB SER 7 10.932 -3.770 -7.164
32 HG SER 7 HG SER 7 9.961 -1.614 -7.414
33 H ARG 8 H ARG 8 8.508 -5.648 -8.271
34 HA ARG 8 HA ARG 8 8.212 -7.750 -7.406
35 HB3 ARG 8 2HB ARG 8 8.162 -9.443 -9.212
36 HG3 ARG 8 2HG ARG 8 7.032 -6.834 -10.284
37 HD3 ARG 8 2HD ARG 8 4.925 -8.302 -10.279
38 HE ARG 8 HE ARG 8 6.702 -8.061 -12.334
39 HH11 ARG 8 1HH1 ARG 8 4.473 -10.622 -11.215
40 HH12 ARG 8 2HH1 ARG 8 4.202 -11.279 -12.783
41 HH21 ARG 8 1HH2 ARG 8 6.031 -8.834 -14.565
42 HH22 ARG 8 2HH2 ARG 8 4.956 -10.166 -14.619
43 H ARG 9 H ARG 9 10.647 -6.901 -6.402
44 HA ARG 9 HA ARG 9 11.705 -9.403 -5.484
45 HB3 ARG 9 2HB ARG 9 13.304 -7.644 -7.370
46 HG3 ARG 9 2HG ARG 9 14.323 -9.693 -5.398
47 HD3 ARG 9 2HD ARG 9 16.436 -9.680 -6.846
48 HE ARG 9 HE ARG 9 13.988 -11.184 -7.724
49 HH11 ARG 9 1HH1 ARG 9 17.473 -11.221 -6.936
50 HH12 ARG 9 2HH1 ARG 9 17.606 -12.923 -6.958
51 HH21 ARG 9 1HH2 ARG 9 14.144 -13.458 -7.653
52 HH22 ARG 9 2HH2 ARG 9 15.651 -14.208 -7.213
53 H ARG 10 H ARG 10 12.909 -8.997 -3.601
54 HA ARG 10 HA ARG 10 12.677 -6.525 -2.292
55 HB3 ARG 10 2HB ARG 10 12.675 -8.742 -1.197
56 HG3 ARG 10 2HG ARG 10 15.673 -8.788 -1.685
57 HD3 ARG 10 2HD ARG 10 13.928 -10.849 -0.288
58 HE ARG 10 HE ARG 10 16.061 -11.676 -1.043
59 HH11 ARG 10 1HH1 ARG 10 16.162 -9.641 1.851
60 HH12 ARG 10 2HH1 ARG 10 17.896 -9.809 2.053
61 HH21 ARG 10 1HH2 ARG 10 18.323 -12.060 -0.563
62 HH22 ARG 10 2HH2 ARG 10 19.062 -11.157 0.743
63 H ARG 11 H ARG 11 14.152 -5.927 -4.680
64 HA ARG 11 HA ARG 11 16.481 -4.687 -3.393
65 HB3 ARG 11 2HB ARG 11 17.934 -5.181 -5.406
66 HG3 ARG 11 2HG ARG 11 17.027 -7.683 -3.915
67 HD3 ARG 11 2HD ARG 11 19.544 -6.885 -5.419
68 HE ARG 11 HE ARG 11 19.287 -9.510 -4.154
69 HH11 ARG 11 1HH1 ARG 11 21.018 -6.397 -4.273
70 HH12 ARG 11 2HH1 ARG 11 22.255 -6.862 -3.156
71 HH21 ARG 11 1HH2 ARG 11 21.023 -10.178 -2.765
72 HH22 ARG 11 2HH2 ARG 11 22.353 -9.100 -2.477
73 H THR 12 H THR 12 13.788 -4.053 -4.652
74 HA THR 12 HA THR 12 14.706 -1.394 -5.369
75 HB THR 12 HB THR 12 12.629 -2.519 -7.150
76 HG1 THR 12 1HG THR 12 15.340 -2.437 -8.004
77 HG21 THR 12 3HG2 THR 12 13.342 -0.723 -8.676
78 HG22 THR 12 1HG2 THR 12 14.601 -0.254 -7.490
79 HG23 THR 12 2HG2 THR 12 12.890 -0.107 -7.069
80 H ALA 13 H ALA 13 13.741 -0.459 -3.950
81 HA ALA 13 HA ALA 13 12.579 -0.007 -2.000
82 HB1 ALA 13 1HB ALA 13 10.453 0.150 -4.156
83 HB2 ALA 13 2HB ALA 13 10.354 0.917 -2.548
84 HB3 ALA 13 3HB ALA 13 11.626 1.403 -3.712
85 H PHE 14 H PHE 14 10.081 -1.900 -3.600
86 HA PHE 14 HA PHE 14 9.316 -3.142 -1.006
87 HB3 PHE 14 2HB PHE 14 7.122 -3.534 -2.092
88 HD1 PHE 14 1HD PHE 14 8.144 -0.312 -3.565
89 HD2 PHE 14 2HD PHE 14 6.500 -2.253 -0.091
90 HE1 PHE 14 1HE PHE 14 7.431 1.898 -2.667
91 HE2 PHE 14 2HE PHE 14 5.714 -0.063 0.773
92 HZ PHE 14 HZ PHE 14 6.199 2.027 -0.497
93 H THR 15 H THR 15 7.863 -5.388 -2.148
94 HA THR 15 HA THR 15 9.796 -6.704 -3.902
95 HB THR 15 HB THR 15 10.214 -8.545 -2.780
96 HG1 THR 15 1HG THR 15 8.873 -9.269 -0.940
97 HG21 THR 15 3HG2 THR 15 10.687 -8.262 -0.379
98 HG22 THR 15 1HG2 THR 15 9.541 -6.937 -0.276
99 HG23 THR 15 2HG2 THR 15 11.013 -6.706 -1.177
100 H SER 16 H SER 16 8.646 -8.987 -4.630
101 HA SER 16 HA SER 16 6.102 -8.286 -5.791
102 HB3 SER 16 2HB SER 16 6.918 -9.831 -7.212
103 HG SER 16 HG SER 16 8.614 -10.979 -5.213
104 H GLU 17 H GLU 17 7.089 -9.855 -2.812
105 HA GLU 17 HA GLU 17 4.438 -11.052 -2.292
106 HB3 GLU 17 2HB GLU 17 5.476 -10.978 0.100
107 HG3 GLU 17 2HG GLU 17 6.460 -12.577 -2.256
108 H GLN 18 H GLN 18 6.379 -8.193 -1.240
109 HA GLN 18 HA GLN 18 4.215 -7.226 0.378
110 HB3 GLN 18 2HB GLN 18 5.526 -5.086 0.382
111 HG3 GLN 18 2HG GLN 18 7.304 -7.540 0.616
112 HE21 GLN 18 1HE2 GLN 18 8.545 -6.715 3.092
113 HE22 GLN 18 2HE2 GLN 18 9.556 -5.367 2.661
114 H LEU 19 H LEU 19 5.025 -6.458 -3.078
115 HA LEU 19 HA LEU 19 2.991 -4.365 -3.131
116 HB3 LEU 19 2HB LEU 19 3.444 -4.622 -5.694
117 HG LEU 19 HG LEU 19 5.685 -4.043 -3.718
118 HD11 LEU 19 1HD1 LEU 19 6.941 -3.063 -5.589
119 HD12 LEU 19 2HD1 LEU 19 5.647 -3.532 -6.703
120 HD13 LEU 19 3HD1 LEU 19 6.614 -4.782 -5.884
121 HD21 LEU 19 3HD2 LEU 19 3.787 -2.422 -3.693
122 HD22 LEU 19 1HD2 LEU 19 3.969 -2.194 -5.437
123 HD23 LEU 19 2HD2 LEU 19 5.258 -1.686 -4.315
124 H LEU 20 H LEU 20 2.780 -7.777 -3.312
125 HA LEU 20 HA LEU 20 0.178 -7.717 -4.752
126 HB3 LEU 20 2HB LEU 20 1.798 -9.990 -3.520
127 HG LEU 20 HG LEU 20 -0.918 -9.873 -4.749
128 HD11 LEU 20 1HD1 LEU 20 0.321 -10.479 -6.743
129 HD12 LEU 20 2HD1 LEU 20 -0.697 -11.812 -6.178
130 HD13 LEU 20 3HD1 LEU 20 1.078 -11.850 -5.889
131 HD21 LEU 20 3HD2 LEU 20 -1.123 -12.090 -3.706
132 HD22 LEU 20 1HD2 LEU 20 -0.413 -10.936 -2.576
133 HD23 LEU 20 2HD2 LEU 20 0.637 -12.111 -3.371
134 H GLU 21 H GLU 21 1.577 -8.178 -1.478
135 HA GLU 21 HA GLU 21 -0.900 -8.868 -0.175
136 HB3 GLU 21 2HB GLU 21 1.564 -9.193 0.493
137 HG3 GLU 21 2HG GLU 21 1.751 -6.654 0.943
138 H LEU 22 H LEU 22 0.744 -5.891 -0.904
139 HA LEU 22 HA LEU 22 -0.684 -4.175 0.829
140 HB3 LEU 22 2HB LEU 22 0.130 -2.508 -1.300
141 HG LEU 22 HG LEU 22 0.622 -2.217 1.136
142 HD11 LEU 22 1HD1 LEU 22 1.907 -4.660 0.957
143 HD12 LEU 22 2HD1 LEU 22 1.827 -3.652 2.320
144 HD13 LEU 22 3HD1 LEU 22 3.234 -3.550 1.199
145 HD21 LEU 22 3HD2 LEU 22 2.462 -1.592 -1.075
146 HD22 LEU 22 1HD2 LEU 22 3.194 -1.438 0.547
147 HD23 LEU 22 2HD2 LEU 22 1.704 -0.584 0.142
148 H GLU 23 H GLU 23 -1.235 -4.876 -2.628
149 HA GLU 23 HA GLU 23 -3.534 -3.155 -2.878
150 HB3 GLU 23 2HB GLU 23 -2.356 -3.820 -4.837
151 HG3 GLU 23 2HG GLU 23 -2.872 -6.656 -4.014
152 H LYS 24 H LYS 24 -3.107 -6.221 -1.394
153 HA LYS 24 HA LYS 24 -5.954 -6.999 -1.348
154 HB3 LYS 24 2HB LYS 24 -4.148 -8.172 0.684
155 HG3 LYS 24 2HG LYS 24 -5.854 -9.233 -1.572
156 HD3 LYS 24 2HD LYS 24 -4.998 -11.507 -1.022
157 HE3 LYS 24 2HE LYS 24 -2.855 -11.454 -2.284
158 HZ1 LYS 24 3HZ LYS 24 -4.853 -9.670 -3.544
159 HZ2 LYS 24 1HZ LYS 24 -4.958 -11.333 -3.498
160 HZ3 LYS 24 2HZ LYS 24 -3.756 -10.619 -4.309
161 H GLU 25 H GLU 25 -3.696 -5.327 0.865
162 HA GLU 25 HA GLU 25 -5.830 -5.195 2.834
163 HB3 GLU 25 2HB GLU 25 -4.113 -3.831 4.132
164 HG3 GLU 25 2HG GLU 25 -2.659 -5.754 4.554
165 H PHE 26 H PHE 26 -5.113 -3.192 0.178
166 HA PHE 26 HA PHE 26 -6.609 -0.917 1.324
167 HB3 PHE 26 2HB PHE 26 -5.873 -1.456 -1.593
168 HD1 PHE 26 2HD PHE 26 -6.187 1.305 0.962
169 HD2 PHE 26 1HD PHE 26 -7.164 -0.026 -3.028
170 HE1 PHE 26 2HE PHE 26 -7.370 3.425 0.545
171 HE2 PHE 26 1HE PHE 26 -8.347 2.105 -3.439
172 HZ PHE 26 HZ PHE 26 -8.476 3.826 -1.637
173 H HIS 27 H HIS 27 -8.248 -2.495 2.077
174 HA HIS 27 HA HIS 27 -10.485 -2.700 0.166
175 HB3 HIS 27 2HB HIS 27 -10.311 -5.312 1.300
176 HD1 HIS 27 1HD HIS 27 -12.306 -5.312 -0.564
177 HD2 HIS 27 2HD HIS 27 -8.319 -4.873 -1.857
178 HE1 HIS 27 1HE HIS 27 -12.296 -5.871 -3.065
179 H CYS 28 H CYS 28 -9.749 -4.353 3.321
180 HA CYS 28 HA CYS 28 -12.232 -3.292 4.459
181 HB3 CYS 28 2HB CYS 28 -10.915 -4.220 6.600
182 HG CYS 28 HG CYS 28 -12.105 -6.235 4.250
183 H LYS 29 H LYS 29 -8.677 -2.698 4.666
184 HA LYS 29 HA LYS 29 -9.303 -0.345 6.342
185 HB3 LYS 29 2HB LYS 29 -6.804 -0.259 6.691
186 HG3 LYS 29 2HG LYS 29 -8.657 -2.400 7.687
187 HD3 LYS 29 2HD LYS 29 -6.808 -3.179 9.236
188 HE3 LYS 29 2HE LYS 29 -6.566 -4.189 6.374
189 HZ1 LYS 29 3HZ LYS 29 -6.243 -5.580 8.972
190 HZ2 LYS 29 1HZ LYS 29 -5.025 -5.220 7.918
191 HZ3 LYS 29 2HZ LYS 29 -6.181 -6.240 7.452
192 H LYS 30 H LYS 30 -8.209 1.645 5.786
193 HA LYS 30 HA LYS 30 -7.765 1.987 2.837
194 HB3 LYS 30 2HB LYS 30 -8.815 4.272 3.116
195 HG3 LYS 30 2HG LYS 30 -11.203 3.447 3.588
196 HD3 LYS 30 2HD LYS 30 -9.495 2.198 1.408
197 HE3 LYS 30 2HE LYS 30 -11.134 0.600 1.393
198 HZ1 LYS 30 3HZ LYS 30 -13.332 2.491 1.886
199 HZ2 LYS 30 1HZ LYS 30 -12.613 1.593 3.119
200 HZ3 LYS 30 2HZ LYS 30 -13.357 0.877 1.887
201 H TYR 31 H TYR 31 -7.007 3.021 6.130
202 HA TYR 31 HA TYR 31 -4.350 3.957 5.367
203 HB3 TYR 31 2HB TYR 31 -5.383 6.103 5.163
204 HD1 TYR 31 2HD TYR 31 -6.306 5.949 8.784
205 HD2 TYR 31 1HD TYR 31 -7.756 6.107 4.737
206 HE1 TYR 31 2HE TYR 31 -8.580 6.406 9.626
207 HE2 TYR 31 1HE TYR 31 -10.041 6.597 5.560
208 HH TYR 31 HH TYR 31 -10.987 6.309 8.901
209 H LEU 32 H LEU 32 -2.971 3.309 7.027
210 HA LEU 32 HA LEU 32 -4.190 1.968 9.305
211 HB3 LEU 32 2HB LEU 32 -1.901 1.384 9.781
212 HG LEU 32 HG LEU 32 -1.385 -0.020 8.122
213 HD11 LEU 32 1HD1 LEU 32 -4.244 0.604 7.256
214 HD12 LEU 32 2HD1 LEU 32 -3.792 -0.444 8.607
215 HD13 LEU 32 3HD1 LEU 32 -3.357 -0.885 6.948
216 HD21 LEU 32 3HD2 LEU 32 -0.737 1.750 6.540
217 HD22 LEU 32 1HD2 LEU 32 -2.410 1.772 5.921
218 HD23 LEU 32 2HD2 LEU 32 -1.416 0.306 5.817
219 H SER 33 H SER 33 -4.540 2.869 11.202
220 HA SER 33 HA SER 33 -3.364 5.315 12.247
221 HB3 SER 33 2HB SER 33 -4.087 4.216 14.395
222 HG SER 33 HG SER 33 -6.150 4.577 14.066
223 H LEU 34 H LEU 34 -1.747 5.241 13.955
224 HA LEU 34 HA LEU 34 0.644 4.240 13.312
225 HB3 LEU 34 2HB LEU 34 0.365 4.250 16.242
226 HG LEU 34 HG LEU 34 1.583 6.181 14.223
227 HD11 LEU 34 1HD1 LEU 34 0.984 7.306 16.315
228 HD12 LEU 34 2HD1 LEU 34 2.734 7.191 16.096
229 HD13 LEU 34 3HD1 LEU 34 1.905 6.084 17.233
230 HD21 LEU 34 3HD2 LEU 34 2.904 4.091 16.036
231 HD22 LEU 34 1HD2 LEU 34 3.747 5.251 14.998
232 HD23 LEU 34 2HD2 LEU 34 2.768 3.986 14.263
233 H THR 35 H THR 35 -1.474 2.618 15.652
234 HA THR 35 HA THR 35 0.087 0.430 16.245
235 HB THR 35 HB THR 35 -2.943 0.329 15.978
236 HG1 THR 35 1HG THR 35 -2.103 1.391 18.341
237 HG21 THR 35 3HG2 THR 35 -0.995 -0.799 18.031
238 HG22 THR 35 1HG2 THR 35 -1.915 -1.708 16.819
239 HG23 THR 35 2HG2 THR 35 -2.768 -0.887 18.137
240 H GLU 36 H GLU 36 -2.502 0.638 13.777
241 HA GLU 36 HA GLU 36 -2.280 -1.934 12.641
242 HB3 GLU 36 2HB GLU 36 -3.471 -0.878 10.739
243 HG3 GLU 36 2HG GLU 36 -5.295 0.403 12.018
244 H ARG 37 H ARG 37 -0.563 1.092 12.001
245 HA ARG 37 HA ARG 37 0.682 0.268 9.543
246 HB3 ARG 37 2HB ARG 37 1.577 2.431 11.495
247 HG3 ARG 37 2HG ARG 37 1.834 2.170 8.472
248 HD3 ARG 37 2HD ARG 37 1.351 4.482 9.096
249 HE ARG 37 HE ARG 37 3.565 4.137 11.084
250 HH11 ARG 37 1HH1 ARG 37 0.884 6.213 10.000
251 HH12 ARG 37 2HH1 ARG 37 1.157 7.377 11.249
252 HH21 ARG 37 1HH2 ARG 37 4.053 5.703 12.515
253 HH22 ARG 37 2HH2 ARG 37 3.088 7.138 12.686
254 H SER 38 H SER 38 1.714 0.244 12.975
255 HA SER 38 HA SER 38 4.296 -0.875 12.556
256 HB3 SER 38 2HB SER 38 2.308 -0.968 14.849
257 HG SER 38 HG SER 38 4.967 -2.013 14.873
258 H GLN 39 H GLN 39 1.039 -2.453 12.923
259 HA GLN 39 HA GLN 39 2.029 -5.076 13.048
260 HB3 GLN 39 2HB GLN 39 -0.149 -5.868 12.490
261 HG3 GLN 39 2HG GLN 39 -1.036 -3.311 13.739
262 HE21 GLN 39 1HE2 GLN 39 -0.245 -6.402 15.208
263 HE22 GLN 39 2HE2 GLN 39 -1.842 -7.001 15.439
264 H ILE 40 H ILE 40 0.808 -3.385 10.145
265 HA ILE 40 HA ILE 40 1.474 -5.429 8.291
266 HB ILE 40 HB ILE 40 1.031 -2.433 8.014
267 HG13 ILE 40 2HG1 ILE 40 -0.914 -3.632 8.819
268 HG21 ILE 40 1HG2 ILE 40 2.375 -3.237 6.059
269 HG22 ILE 40 2HG2 ILE 40 1.138 -4.472 5.748
270 HG23 ILE 40 3HG2 ILE 40 0.753 -2.750 5.584
271 HD11 ILE 40 3HD1 ILE 40 -1.351 -2.047 6.865
272 HD12 ILE 40 1HD1 ILE 40 -1.457 -3.497 5.840
273 HD13 ILE 40 2HD1 ILE 40 -2.589 -3.286 7.183
274 H ALA 41 H ALA 41 3.368 -2.542 9.362
275 HA ALA 41 HA ALA 41 5.511 -2.958 7.559
276 HB1 ALA 41 1HB ALA 41 6.818 -1.525 9.087
277 HB2 ALA 41 2HB ALA 41 5.199 -0.857 8.804
278 HB3 ALA 41 3HB ALA 41 5.566 -1.687 10.329
279 H HIS 42 H HIS 42 5.023 -4.205 10.875
280 HA HIS 42 HA HIS 42 7.595 -5.360 11.163
281 HB3 HIS 42 2HB HIS 42 6.429 -6.793 12.923
282 HD1 HIS 42 1HD HIS 42 6.496 -5.836 15.391
283 HD2 HIS 42 2HD HIS 42 6.428 -2.948 12.319
284 HE1 HIS 42 1HE HIS 42 6.917 -3.600 16.503
285 H ALA 43 H ALA 43 4.484 -6.860 10.145
286 HA ALA 43 HA ALA 43 5.373 -9.507 9.825
287 HB1 ALA 43 1HB ALA 43 3.272 -7.956 8.250
288 HB2 ALA 43 2HB ALA 43 3.479 -9.719 8.215
289 HB3 ALA 43 3HB ALA 43 3.017 -8.913 9.720
290 H LEU 44 H LEU 44 5.212 -6.882 7.464
291 HA LEU 44 HA LEU 44 6.296 -8.521 5.342
292 HB3 LEU 44 2HB LEU 44 6.047 -6.434 4.024
293 HG LEU 44 HG LEU 44 3.652 -6.935 5.855
294 HD11 LEU 44 1HD1 LEU 44 2.355 -5.778 4.246
295 HD12 LEU 44 2HD1 LEU 44 3.717 -5.622 3.112
296 HD13 LEU 44 3HD1 LEU 44 3.696 -4.736 4.660
297 HD21 LEU 44 3HD2 LEU 44 2.738 -8.335 4.043
298 HD22 LEU 44 1HD2 LEU 44 4.239 -9.008 4.679
299 HD23 LEU 44 2HD2 LEU 44 4.234 -8.157 3.122
300 H LYS 45 H LYS 45 7.765 -6.514 7.714
301 HA LYS 45 HA LYS 45 9.912 -5.961 8.188
302 HB3 LYS 45 2HB LYS 45 10.904 -6.943 5.485
303 HG3 LYS 45 2HG LYS 45 12.170 -6.612 8.232
304 HD3 LYS 45 2HD LYS 45 13.230 -7.927 5.699
305 HE3 LYS 45 2HE LYS 45 14.492 -7.457 8.428
306 HZ1 LYS 45 3HZ LYS 45 15.112 -9.582 7.501
307 HZ2 LYS 45 1HZ LYS 45 16.391 -8.577 7.375
308 HZ3 LYS 45 2HZ LYS 45 15.486 -8.891 6.045
309 H LEU 46 H LEU 46 7.856 -4.426 6.650
310 HA LEU 46 HA LEU 46 9.496 -2.526 5.096
311 HB3 LEU 46 2HB LEU 46 7.106 -1.291 5.101
312 HG LEU 46 HG LEU 46 8.040 -3.751 3.606
313 HD11 LEU 46 1HD1 LEU 46 6.146 -3.505 2.035
314 HD12 LEU 46 2HD1 LEU 46 5.412 -2.323 3.124
315 HD13 LEU 46 3HD1 LEU 46 5.614 -4.005 3.647
316 HD21 LEU 46 3HD2 LEU 46 7.288 -1.086 2.467
317 HD22 LEU 46 1HD2 LEU 46 8.419 -2.261 1.816
318 HD23 LEU 46 2HD2 LEU 46 8.898 -1.279 3.230
319 H SER 47 H SER 47 8.768 -0.128 5.780
320 HA SER 47 HA SER 47 8.952 0.157 8.720
321 HB3 SER 47 2HB SER 47 10.293 2.240 8.390
322 HG SER 47 HG SER 47 12.175 1.129 7.249
323 H GLU 48 H GLU 48 7.834 2.155 9.363
324 HA GLU 48 HA GLU 48 5.204 2.191 8.549
325 HB3 GLU 48 2HB GLU 48 5.200 4.462 9.719
326 HG3 GLU 48 2HG GLU 48 6.634 2.172 11.115
327 H VAL 49 H VAL 49 7.911 3.931 7.066
328 HA VAL 49 HA VAL 49 6.321 6.118 5.996
329 HB VAL 49 HB VAL 49 9.221 5.242 5.979
330 HG11 VAL 49 1HG1 VAL 49 8.088 7.599 4.385
331 HG12 VAL 49 2HG1 VAL 49 9.817 7.219 4.700
332 HG13 VAL 49 3HG1 VAL 49 8.847 6.133 3.709
333 HG21 VAL 49 3HG2 VAL 49 9.495 7.378 7.108
334 HG22 VAL 49 1HG2 VAL 49 7.830 7.863 6.675
335 HG23 VAL 49 2HG2 VAL 49 8.113 6.583 7.879
336 H GLN 50 H GLN 50 7.841 3.100 4.846
337 HA GLN 50 HA GLN 50 7.218 3.484 2.094
338 HB3 GLN 50 2HB GLN 50 7.490 0.972 2.137
339 HG3 GLN 50 2HG GLN 50 9.435 2.171 1.607
340 HE21 GLN 50 1HE2 GLN 50 11.036 1.215 4.478
341 HE22 GLN 50 2HE2 GLN 50 11.255 2.805 5.161
342 H VAL 51 H VAL 51 5.446 1.964 4.843
343 HA VAL 51 HA VAL 51 3.279 0.932 3.270
344 HB VAL 51 HB VAL 51 3.160 1.818 6.181
345 HG11 VAL 51 1HG1 VAL 51 0.998 1.262 5.142
346 HG12 VAL 51 2HG1 VAL 51 1.604 -0.325 4.670
347 HG13 VAL 51 3HG1 VAL 51 1.437 0.067 6.381
348 HG21 VAL 51 3HG2 VAL 51 4.331 -0.779 5.108
349 HG22 VAL 51 1HG2 VAL 51 5.065 0.377 6.193
350 HG23 VAL 51 2HG2 VAL 51 3.722 -0.592 6.765
351 H LYS 52 H LYS 52 3.721 3.893 5.223
352 HA LYS 52 HA LYS 52 1.333 5.246 4.716
353 HB3 LYS 52 2HB LYS 52 4.175 6.039 5.317
354 HG3 LYS 52 2HG LYS 52 1.880 8.015 5.050
355 HD3 LYS 52 2HD LYS 52 4.506 7.954 6.617
356 HE3 LYS 52 2HE LYS 52 2.920 10.361 5.656
357 HZ1 LYS 52 3HZ LYS 52 4.773 11.540 6.859
358 HZ2 LYS 52 1HZ LYS 52 5.267 10.117 7.499
359 HZ3 LYS 52 2HZ LYS 52 3.800 10.692 7.899
360 H ILE 53 H ILE 53 4.391 5.606 2.793
361 HA ILE 53 HA ILE 53 3.329 7.466 0.972
362 HB ILE 53 HB ILE 53 5.638 5.488 0.840
363 HG13 ILE 53 2HG1 ILE 53 5.767 7.377 2.539
364 HG21 ILE 53 1HG2 ILE 53 6.526 6.639 -1.124
365 HG22 ILE 53 2HG2 ILE 53 4.932 6.037 -1.515
366 HG23 ILE 53 3HG2 ILE 53 5.141 7.755 -1.154
367 HD11 ILE 53 3HD1 ILE 53 7.710 7.939 0.279
368 HD12 ILE 53 1HD1 ILE 53 7.911 8.211 2.010
369 HD13 ILE 53 2HD1 ILE 53 7.855 6.552 1.384
370 H TRP 54 H TRP 54 3.525 3.872 0.688
371 HA TRP 54 HA TRP 54 2.420 3.867 -1.955
372 HB3 TRP 54 2HB TRP 54 2.085 1.607 0.017
373 HD1 TRP 54 HD TRP 54 3.991 1.253 -3.235
374 HE1 TRP 54 1HE TRP 54 2.646 -0.195 -4.867
375 HE3 TRP 54 3HE TRP 54 -0.429 1.058 -0.673
376 HZ2 TRP 54 2HZ TRP 54 0.061 -1.576 -4.888
377 HZ3 TRP 54 3HZ TRP 54 -2.291 -0.324 -1.488
378 HH2 TRP 54 HH TRP 54 -2.023 -1.700 -3.548
379 H PHE 55 H PHE 55 0.825 3.357 1.264
380 HA PHE 55 HA PHE 55 -1.794 3.053 0.158
381 HB3 PHE 55 2HB PHE 55 -2.492 3.827 2.546
382 HD1 PHE 55 2HD PHE 55 0.353 1.314 2.106
383 HD2 PHE 55 1HD PHE 55 -3.748 1.993 3.271
384 HE1 PHE 55 2HE PHE 55 0.192 -0.999 2.907
385 HE2 PHE 55 1HE PHE 55 -3.919 -0.412 3.952
386 HZ PHE 55 HZ PHE 55 -1.932 -1.872 3.833
387 H GLN 56 H GLN 56 0.054 5.918 1.089
388 HA GLN 56 HA GLN 56 -1.950 7.916 0.898
389 HB3 GLN 56 2HB GLN 56 0.267 9.162 -0.156
390 HG3 GLN 56 2HG GLN 56 0.807 8.821 2.722
391 HE21 GLN 56 1HE2 GLN 56 2.418 10.216 1.244
392 HE22 GLN 56 2HE2 GLN 56 1.981 11.850 1.002
393 H ASN 57 H ASN 57 0.198 6.538 -1.671
394 HA ASN 57 HA ASN 57 -0.812 8.295 -3.712
395 HB3 ASN 57 2HB ASN 57 0.456 6.393 -5.082
396 HD21 ASN 57 1HD2 ASN 57 3.222 6.602 -3.784
397 HD22 ASN 57 2HD2 ASN 57 3.748 8.221 -4.111
398 H ARG 58 H ARG 58 -1.526 4.960 -2.724
399 HA ARG 58 HA ARG 58 -3.343 4.362 -4.896
400 HB3 ARG 58 2HB ARG 58 -4.161 2.790 -2.781
401 HG3 ARG 58 2HG ARG 58 -1.807 1.554 -3.717
402 HD3 ARG 58 2HD ARG 58 -4.541 1.571 -5.054
403 HE ARG 58 HE ARG 58 -2.336 0.130 -5.875
404 HH11 ARG 58 1HH1 ARG 58 -5.492 -0.884 -4.471
405 HH12 ARG 58 2HH1 ARG 58 -5.528 -2.323 -5.432
406 HH21 ARG 58 1HH2 ARG 58 -2.495 -1.829 -7.089
407 HH22 ARG 58 2HH2 ARG 58 -3.871 -2.867 -6.860
408 H ARG 59 H ARG 59 -3.943 5.524 -1.531
409 HA ARG 59 HA ARG 59 -6.705 5.856 -1.700
410 HB3 ARG 59 2HB ARG 59 -6.227 7.891 -0.104
411 HG3 ARG 59 2HG ARG 59 -5.414 5.043 0.545
412 HD3 ARG 59 2HD ARG 59 -4.210 6.289 2.147
413 HE ARG 59 HE ARG 59 -4.743 8.387 2.672
414 HH11 ARG 59 1HH1 ARG 59 -7.961 6.848 2.281
415 HH12 ARG 59 2HH1 ARG 59 -8.752 8.227 3.039
416 HH21 ARG 59 1HH2 ARG 59 -5.902 10.153 3.482
417 HH22 ARG 59 2HH2 ARG 59 -7.623 10.068 3.623
418 H ALA 60 H ALA 60 -4.204 8.051 -3.014
419 HA ALA 60 HA ALA 60 -5.766 10.325 -3.390
420 HB1 ALA 60 1HB ALA 60 -3.549 9.277 -5.228
421 HB2 ALA 60 2HB ALA 60 -4.121 10.940 -5.089
422 HB3 ALA 60 3HB ALA 60 -3.300 10.185 -3.712
423 H LYS 61 H LYS 61 -5.113 7.779 -5.835
424 HA LYS 61 HA LYS 61 -6.996 8.742 -7.714
425 HB3 LYS 61 2HB LYS 61 -6.288 5.805 -7.402
426 HG3 LYS 61 2HG LYS 61 -6.627 7.637 -9.840
427 HD3 LYS 61 2HD LYS 61 -5.933 4.667 -9.604
428 HE3 LYS 61 2HE LYS 61 -7.455 5.432 -11.558
429 HZ1 LYS 61 3HZ LYS 61 -5.980 7.444 -12.138
430 HZ2 LYS 61 1HZ LYS 61 -6.428 6.472 -13.370
431 HZ3 LYS 61 2HZ LYS 61 -4.925 6.363 -12.768
432 H TRP 62 H TRP 62 -7.459 6.429 -4.991
433 HA TRP 62 HA TRP 62 -10.114 5.645 -5.659
434 HB3 TRP 62 2HB TRP 62 -8.585 5.831 -3.062
435 HD1 TRP 62 HD TRP 62 -11.561 3.542 -4.047
436 HE1 TRP 62 1HE TRP 62 -13.278 3.572 -2.166
437 HE3 TRP 62 3HE TRP 62 -9.337 6.977 -1.004
438 HZ2 TRP 62 2HZ TRP 62 -13.551 4.755 0.446
439 HZ3 TRP 62 3HZ TRP 62 -10.352 7.536 1.227
440 HH2 TRP 62 HH TRP 62 -12.430 6.388 1.965
441 H LYS 63 H LYS 63 -8.961 8.625 -4.030
442 HA LYS 63 HA LYS 63 -11.581 9.527 -3.262
443 HB3 LYS 63 2HB LYS 63 -10.538 11.813 -3.312
444 HG3 LYS 63 2HG LYS 63 -8.564 10.267 -1.741
445 HD3 LYS 63 2HD LYS 63 -10.920 12.056 -0.972
446 HE3 LYS 63 2HE LYS 63 -8.566 11.054 0.685
447 HZ1 LYS 63 3HZ LYS 63 -10.914 12.639 1.572
448 HZ2 LYS 63 1HZ LYS 63 -9.452 13.292 1.239
449 HZ3 LYS 63 2HZ LYS 63 -9.582 12.224 2.453
450 H ARG 64 H ARG 64 -9.809 9.635 -6.321
451 HA ARG 64 HA ARG 64 -11.868 11.180 -7.711
452 HB3 ARG 64 2HB ARG 64 -10.463 10.727 -9.688
453 HG3 ARG 64 2HG ARG 64 -8.943 11.946 -7.353
454 HD3 ARG 64 2HD ARG 64 -8.263 11.537 -10.274
455 HE ARG 64 HE ARG 64 -8.150 14.052 -9.408
456 HH11 ARG 64 1HH1 ARG 64 -5.459 11.723 -9.957
457 HH12 ARG 64 2HH1 ARG 64 -4.582 12.858 -10.929
458 HH21 ARG 64 1HH2 ARG 64 -6.742 15.590 -10.399
459 HH22 ARG 64 2HH2 ARG 64 -5.281 15.044 -11.144
460 H ILE 65 H ILE 65 -12.011 8.166 -6.429
461 HA ILE 65 HA ILE 65 -13.695 7.244 -8.680
462 HB ILE 65 HB ILE 65 -12.643 5.593 -6.352
463 HG13 ILE 65 2HG1 ILE 65 -10.919 6.176 -8.062
464 HG21 ILE 65 1HG2 ILE 65 -13.735 3.693 -7.505
465 HG22 ILE 65 2HG2 ILE 65 -14.923 4.909 -7.080
466 HG23 ILE 65 3HG2 ILE 65 -14.358 4.795 -8.755
467 HD11 ILE 65 3HD1 ILE 65 -10.120 4.032 -8.667
468 HD12 ILE 65 1HD1 ILE 65 -10.854 3.883 -7.053
469 HD13 ILE 65 2HD1 ILE 65 -11.724 3.299 -8.488
470 H LYS 66 H LYS 66 -13.637 7.192 -5.105
471 HA LYS 66 HA LYS 66 -16.378 6.837 -4.767
472 HB3 LYS 66 2HB LYS 66 -14.439 6.620 -3.141
473 HG3 LYS 66 2HG LYS 66 -15.030 9.609 -2.661
474 HD3 LYS 66 2HD LYS 66 -12.950 9.248 -1.290
475 HE3 LYS 66 2HE LYS 66 -15.367 7.741 -0.169
476 HZ1 LYS 66 3HZ LYS 66 -15.097 9.148 1.664
477 HZ2 LYS 66 1HZ LYS 66 -13.947 10.062 0.947
478 HZ3 LYS 66 2HZ LYS 66 -13.629 8.498 1.444
479 H ALA 67 H ALA 67 -14.762 9.868 -5.330
480 HA ALA 67 HA ALA 67 -17.385 11.293 -5.457
481 HB1 ALA 67 1HB ALA 67 -15.985 12.015 -3.449
482 HB2 ALA 67 2HB ALA 67 -14.761 12.587 -4.613
483 HB3 ALA 67 3HB ALA 67 -16.383 13.295 -4.610
484 H GLY 68 H GLY 68 -14.852 10.060 -7.122
485 HA2 GLY 68 1HA GLY 68 -14.870 12.277 -9.191
486 HA3 GLY 68 2HA GLY 68 -13.576 11.134 -9.036
487 H ASN 69 H ASN 69 -16.079 8.995 -8.854
488 HA ASN 69 HA ASN 69 -17.035 9.104 -11.600
489 HB3 ASN 69 2HB ASN 69 -16.339 6.552 -11.729
490 HD21 ASN 69 1HD2 ASN 69 -16.687 7.929 -13.797
491 HD22 ASN 69 2HD2 ASN 69 -15.182 8.422 -14.595
492 H VAL 70 H VAL 70 -19.105 8.845 -11.263
493 HA VAL 70 HA VAL 70 -20.090 6.955 -9.188
494 HB VAL 70 HB VAL 70 -21.899 8.653 -8.816
495 HG11 VAL 70 1HG1 VAL 70 -19.069 9.643 -8.221
496 HG12 VAL 70 2HG1 VAL 70 -20.555 10.051 -7.343
497 HG13 VAL 70 3HG1 VAL 70 -19.927 8.392 -7.311
498 HG21 VAL 70 3HG2 VAL 70 -21.678 10.007 -10.879
499 HG22 VAL 70 1HG2 VAL 70 -21.483 11.000 -9.427
500 HG23 VAL 70 2HG2 VAL 70 -20.069 10.549 -10.383
501 H SER 71 H SER 71 -19.953 7.418 -12.460
502 HA SER 71 HA SER 71 -21.079 6.916 -14.289
503 HB3 SER 71 2HB SER 71 -22.857 5.284 -14.384
504 HG SER 71 HG SER 71 -21.622 3.617 -13.802
Start of MODEL 19
1 H1 SER 1 H SER 1 -2.121 -3.987 -20.204
2 HA SER 1 HA SER 1 -2.701 -5.837 -17.976
3 HB3 SER 1 2HB SER 1 -0.327 -6.010 -18.514
4 HG SER 1 HG SER 1 0.416 -4.153 -19.374
5 H ALA 2 H ALA 2 -3.349 -4.887 -16.000
6 HA ALA 2 HA ALA 2 -4.404 -2.133 -16.310
7 HB1 ALA 2 1HB ALA 2 -5.305 -4.586 -14.745
8 HB2 ALA 2 2HB ALA 2 -6.103 -3.014 -14.657
9 HB3 ALA 2 3HB ALA 2 -6.092 -3.897 -16.183
10 HA PRO 3 HA PRO 3 -1.872 -0.836 -13.092
11 HB3 PRO 3 2HB PRO 3 -2.784 1.294 -13.409
12 HG3 PRO 3 2HG PRO 3 -5.153 1.596 -13.572
13 HD3 PRO 3 2HD PRO 3 -4.556 0.013 -15.228
14 H GLY 4 H GLY 4 -1.248 -1.174 -10.976
15 HA2 GLY 4 1HA GLY 4 -2.228 -1.327 -8.621
16 HA3 GLY 4 2HA GLY 4 -3.111 -2.733 -9.223
17 H GLY 5 H GLY 5 -0.598 -3.424 -11.001
18 HA2 GLY 5 1HA GLY 5 1.619 -3.729 -9.261
19 HA3 GLY 5 2HA GLY 5 0.720 -5.257 -9.411
20 H LYS 6 H LYS 6 3.110 -5.459 -10.433
21 HA LYS 6 HA LYS 6 2.691 -5.731 -13.303
22 HB3 LYS 6 2HB LYS 6 5.090 -4.026 -12.535
23 HG3 LYS 6 2HG LYS 6 4.811 -4.941 -14.929
24 HD3 LYS 6 2HD LYS 6 2.269 -3.386 -14.633
25 HE3 LYS 6 2HE LYS 6 3.887 -3.232 -17.209
26 HZ1 LYS 6 3HZ LYS 6 1.354 -1.935 -16.388
27 HZ2 LYS 6 1HZ LYS 6 1.476 -3.182 -17.478
28 HZ3 LYS 6 2HZ LYS 6 2.098 -1.716 -17.827
29 H SER 7 H SER 7 3.137 -7.545 -11.119
30 HA SER 7 HA SER 7 4.422 -9.055 -10.137
31 HB3 SER 7 2HB SER 7 6.363 -10.043 -11.091
32 HG SER 7 HG SER 7 5.468 -10.802 -12.936
33 H ARG 8 H ARG 8 6.762 -6.675 -11.412
34 HA ARG 8 HA ARG 8 8.503 -5.555 -10.520
35 HB3 ARG 8 2HB ARG 8 8.378 -4.729 -8.141
36 HG3 ARG 8 2HG ARG 8 5.757 -3.821 -8.696
37 HD3 ARG 8 2HD ARG 8 8.033 -2.356 -9.959
38 HE ARG 8 HE ARG 8 5.620 -1.575 -8.678
39 HH11 ARG 8 1HH1 ARG 8 9.032 -0.522 -8.954
40 HH12 ARG 8 2HH1 ARG 8 8.779 0.889 -7.929
41 HH21 ARG 8 1HH2 ARG 8 5.349 0.444 -7.441
42 HH22 ARG 8 2HH2 ARG 8 6.732 1.478 -7.246
43 H ARG 9 H ARG 9 10.160 -5.737 -8.489
44 HA ARG 9 HA ARG 9 10.236 -8.280 -7.173
45 HB3 ARG 9 2HB ARG 9 11.291 -9.178 -9.074
46 HG3 ARG 9 2HG ARG 9 13.240 -6.843 -9.192
47 HD3 ARG 9 2HD ARG 9 12.844 -9.483 -10.691
48 HE ARG 9 HE ARG 9 14.808 -7.692 -11.862
49 HH11 ARG 9 1HH1 ARG 9 11.480 -9.014 -12.209
50 HH12 ARG 9 2HH1 ARG 9 11.410 -8.660 -13.894
51 HH21 ARG 9 1HH2 ARG 9 14.619 -7.140 -13.988
52 HH22 ARG 9 2HH2 ARG 9 13.241 -7.620 -14.940
53 H ARG 10 H ARG 10 12.431 -8.307 -5.868
54 HA ARG 10 HA ARG 10 12.806 -5.789 -4.451
55 HB3 ARG 10 2HB ARG 10 14.267 -8.456 -4.466
56 HG3 ARG 10 2HG ARG 10 14.575 -6.140 -2.523
57 HD3 ARG 10 2HD ARG 10 15.020 -9.136 -2.283
58 HE ARG 10 HE ARG 10 16.850 -7.242 -1.271
59 HH11 ARG 10 1HH1 ARG 10 14.857 -9.934 -0.094
60 HH12 ARG 10 2HH1 ARG 10 16.039 -10.518 1.029
61 HH21 ARG 10 1HH2 ARG 10 18.416 -8.032 0.069
62 HH22 ARG 10 2HH2 ARG 10 18.123 -9.360 1.159
63 H ARG 11 H ARG 11 13.178 -4.523 -6.386
64 HA ARG 11 HA ARG 11 16.064 -4.122 -6.640
65 HB3 ARG 11 2HB ARG 11 14.602 -3.891 -9.278
66 HG3 ARG 11 2HG ARG 11 17.318 -4.922 -8.355
67 HD3 ARG 11 2HD ARG 11 16.513 -4.363 -11.224
68 HE ARG 11 HE ARG 11 18.864 -4.361 -11.023
69 HH11 ARG 11 1HH1 ARG 11 17.568 -7.386 -9.585
70 HH12 ARG 11 2HH1 ARG 11 19.133 -8.132 -9.603
71 HH21 ARG 11 1HH2 ARG 11 20.961 -5.433 -10.789
72 HH22 ARG 11 2HH2 ARG 11 20.972 -7.070 -10.265
73 H THR 12 H THR 12 13.540 -2.908 -5.495
74 HA THR 12 HA THR 12 14.071 -0.126 -6.219
75 HB THR 12 HB THR 12 12.484 -0.970 -7.936
76 HG1 THR 12 1HG THR 12 12.419 1.265 -6.996
77 HG21 THR 12 3HG2 THR 12 11.239 -2.613 -6.440
78 HG22 THR 12 1HG2 THR 12 10.232 -1.587 -7.448
79 HG23 THR 12 2HG2 THR 12 10.408 -1.207 -5.725
80 H ALA 13 H ALA 13 11.863 0.977 -4.905
81 HA ALA 13 HA ALA 13 12.588 1.064 -2.223
82 HB1 ALA 13 1HB ALA 13 10.325 2.118 -1.945
83 HB2 ALA 13 2HB ALA 13 11.229 2.756 -3.330
84 HB3 ALA 13 3HB ALA 13 9.928 1.589 -3.601
85 H PHE 14 H PHE 14 10.313 -1.122 -3.829
86 HA PHE 14 HA PHE 14 9.761 -2.563 -1.309
87 HB3 PHE 14 2HB PHE 14 7.507 -3.000 -2.125
88 HD1 PHE 14 2HD PHE 14 7.267 -1.879 0.177
89 HD2 PHE 14 1HD PHE 14 7.990 0.359 -3.396
90 HE1 PHE 14 2HE PHE 14 6.506 0.199 1.334
91 HE2 PHE 14 1HE PHE 14 7.288 2.472 -2.229
92 HZ PHE 14 HZ PHE 14 6.539 2.364 0.147
93 H THR 15 H THR 15 8.534 -4.834 -2.399
94 HA THR 15 HA THR 15 10.383 -5.878 -4.426
95 HB THR 15 HB THR 15 10.734 -7.895 -3.265
96 HG1 THR 15 1HG THR 15 9.677 -8.253 -1.218
97 HG21 THR 15 3HG2 THR 15 10.846 -5.862 -0.986
98 HG22 THR 15 1HG2 THR 15 12.064 -5.981 -2.266
99 HG23 THR 15 2HG2 THR 15 11.798 -7.336 -1.162
100 H SER 16 H SER 16 9.109 -8.309 -5.046
101 HA SER 16 HA SER 16 6.507 -7.469 -6.025
102 HB3 SER 16 2HB SER 16 7.645 -8.964 -7.428
103 HG SER 16 HG SER 16 7.914 -11.118 -5.871
104 H GLU 17 H GLU 17 7.838 -9.051 -3.205
105 HA GLU 17 HA GLU 17 5.401 -10.326 -2.318
106 HB3 GLU 17 2HB GLU 17 8.071 -9.777 -0.987
107 HG3 GLU 17 2HG GLU 17 5.924 -11.857 -0.533
108 H GLN 18 H GLN 18 7.510 -7.663 -1.040
109 HA GLN 18 HA GLN 18 5.640 -6.727 0.834
110 HB3 GLN 18 2HB GLN 18 6.908 -4.414 0.113
111 HG3 GLN 18 2HG GLN 18 7.073 -5.951 2.280
112 HE21 GLN 18 1HE2 GLN 18 9.551 -5.631 3.546
113 HE22 GLN 18 2HE2 GLN 18 10.489 -6.955 3.109
114 H LEU 19 H LEU 19 5.552 -6.295 -2.675
115 HA LEU 19 HA LEU 19 3.487 -4.200 -2.461
116 HB3 LEU 19 2HB LEU 19 3.400 -4.768 -5.042
117 HG LEU 19 HG LEU 19 5.932 -3.650 -3.759
118 HD11 LEU 19 1HD1 LEU 19 4.986 -3.459 -6.637
119 HD12 LEU 19 2HD1 LEU 19 6.383 -4.391 -6.054
120 HD13 LEU 19 3HD1 LEU 19 6.407 -2.624 -5.935
121 HD21 LEU 19 3HD2 LEU 19 5.026 -1.474 -4.309
122 HD22 LEU 19 1HD2 LEU 19 3.870 -2.374 -3.335
123 HD23 LEU 19 2HD2 LEU 19 3.563 -2.249 -5.067
124 H LEU 20 H LEU 20 3.565 -7.743 -2.998
125 HA LEU 20 HA LEU 20 0.741 -7.852 -3.647
126 HB3 LEU 20 2HB LEU 20 2.672 -10.038 -2.763
127 HG LEU 20 HG LEU 20 -0.208 -10.018 -3.552
128 HD11 LEU 20 1HD1 LEU 20 1.642 -11.952 -4.993
129 HD12 LEU 20 2HD1 LEU 20 0.801 -10.559 -5.735
130 HD13 LEU 20 3HD1 LEU 20 -0.149 -11.883 -5.071
131 HD21 LEU 20 3HD2 LEU 20 0.718 -11.118 -1.487
132 HD22 LEU 20 1HD2 LEU 20 1.609 -12.246 -2.512
133 HD23 LEU 20 2HD2 LEU 20 -0.169 -12.240 -2.516
134 H GLU 21 H GLU 21 2.694 -8.313 -0.690
135 HA GLU 21 HA GLU 21 0.604 -9.158 1.048
136 HB3 GLU 21 2HB GLU 21 2.285 -8.040 2.762
137 HG3 GLU 21 2HG GLU 21 3.957 -9.902 2.399
138 H LEU 22 H LEU 22 1.260 -6.063 -0.304
139 HA LEU 22 HA LEU 22 0.065 -4.564 1.954
140 HB3 LEU 22 2HB LEU 22 0.755 -2.805 -0.113
141 HG LEU 22 HG LEU 22 1.407 -2.511 2.190
142 HD11 LEU 22 1HD1 LEU 22 2.167 -4.338 3.257
143 HD12 LEU 22 2HD1 LEU 22 3.777 -3.848 2.688
144 HD13 LEU 22 3HD1 LEU 22 2.863 -5.059 1.815
145 HD21 LEU 22 3HD2 LEU 22 2.909 -1.038 1.502
146 HD22 LEU 22 1HD2 LEU 22 2.916 -1.833 -0.063
147 HD23 LEU 22 2HD2 LEU 22 4.116 -2.298 1.169
148 H GLU 23 H GLU 23 -0.696 -5.395 -1.423
149 HA GLU 23 HA GLU 23 -3.145 -3.805 -1.416
150 HB3 GLU 23 2HB GLU 23 -2.080 -4.285 -3.501
151 HG3 GLU 23 2HG GLU 23 -2.195 -7.152 -2.665
152 H LYS 24 H LYS 24 -2.164 -6.818 -0.141
153 HA LYS 24 HA LYS 24 -4.517 -8.304 0.036
154 HB3 LYS 24 2HB LYS 24 -2.689 -8.456 2.377
155 HG3 LYS 24 2HG LYS 24 -4.096 -10.379 0.877
156 HD3 LYS 24 2HD LYS 24 -2.154 -11.958 0.329
157 HE3 LYS 24 2HE LYS 24 -1.590 -10.620 -1.892
158 HZ1 LYS 24 3HZ LYS 24 -3.043 -12.487 -1.832
159 HZ2 LYS 24 1HZ LYS 24 -3.749 -11.323 -2.761
160 HZ3 LYS 24 2HZ LYS 24 -4.298 -11.614 -1.239
161 H GLU 25 H GLU 25 -3.167 -6.228 2.650
162 HA GLU 25 HA GLU 25 -5.438 -6.268 4.310
163 HB3 GLU 25 2HB GLU 25 -4.011 -3.754 4.628
164 HG3 GLU 25 2HG GLU 25 -2.709 -5.310 6.363
165 H PHE 26 H PHE 26 -4.881 -4.407 1.421
166 HA PHE 26 HA PHE 26 -6.502 -2.112 2.216
167 HB3 PHE 26 2HB PHE 26 -5.394 -2.860 -0.506
168 HD1 PHE 26 2HD PHE 26 -5.226 0.372 1.314
169 HD2 PHE 26 1HD PHE 26 -7.116 -1.799 -1.891
170 HE1 PHE 26 2HE PHE 26 -6.018 2.499 0.354
171 HE2 PHE 26 1HE PHE 26 -7.983 0.330 -2.820
172 HZ PHE 26 HZ PHE 26 -7.402 2.491 -1.741
173 H HIS 27 H HIS 27 -7.206 -5.241 1.095
174 HA HIS 27 HA HIS 27 -9.486 -4.596 -0.537
175 HB3 HIS 27 2HB HIS 27 -8.945 -7.170 0.962
176 HD1 HIS 27 1HD HIS 27 -11.140 -8.535 0.467
177 HD2 HIS 27 2HD HIS 27 -10.054 -5.843 -2.588
178 HE1 HIS 27 1HE HIS 27 -12.934 -8.725 -1.326
179 H CYS 28 H CYS 28 -8.944 -4.690 2.925
180 HA CYS 28 HA CYS 28 -11.877 -4.279 3.383
181 HB3 CYS 28 2HB CYS 28 -11.201 -4.883 5.811
182 HG CYS 28 HG CYS 28 -11.787 -7.360 5.579
183 H LYS 29 H LYS 29 -8.746 -3.419 5.028
184 HA LYS 29 HA LYS 29 -10.019 -0.895 5.878
185 HB3 LYS 29 2HB LYS 29 -7.799 -0.522 6.960
186 HG3 LYS 29 2HG LYS 29 -9.844 -2.067 7.829
187 HD3 LYS 29 2HD LYS 29 -7.405 -3.865 8.154
188 HE3 LYS 29 2HE LYS 29 -10.276 -4.337 9.053
189 HZ1 LYS 29 3HZ LYS 29 -9.149 -5.802 10.634
190 HZ2 LYS 29 1HZ LYS 29 -7.698 -5.499 9.974
191 HZ3 LYS 29 2HZ LYS 29 -8.824 -6.321 9.129
192 H LYS 30 H LYS 30 -8.929 1.183 5.412
193 HA LYS 30 HA LYS 30 -7.725 1.211 2.647
194 HB3 LYS 30 2HB LYS 30 -8.676 3.571 2.570
195 HG3 LYS 30 2HG LYS 30 -11.025 2.953 2.219
196 HD3 LYS 30 2HD LYS 30 -9.347 0.744 0.987
197 HE3 LYS 30 2HE LYS 30 -10.651 1.318 -1.012
198 HZ1 LYS 30 3HZ LYS 30 -12.784 0.611 -0.353
199 HZ2 LYS 30 1HZ LYS 30 -12.603 1.132 1.201
200 HZ3 LYS 30 2HZ LYS 30 -11.750 -0.155 0.638
201 H TYR 31 H TYR 31 -7.343 2.319 5.986
202 HA TYR 31 HA TYR 31 -4.647 3.229 5.350
203 HB3 TYR 31 2HB TYR 31 -5.637 5.314 4.987
204 HD1 TYR 31 2HD TYR 31 -8.080 5.099 4.563
205 HD2 TYR 31 1HD TYR 31 -6.532 5.866 8.493
206 HE1 TYR 31 2HE TYR 31 -10.270 6.095 5.209
207 HE2 TYR 31 1HE TYR 31 -8.694 6.859 9.167
208 HH TYR 31 HH TYR 31 -11.054 7.138 8.469
209 H LEU 32 H LEU 32 -3.351 2.390 7.002
210 HA LEU 32 HA LEU 32 -4.582 1.057 9.156
211 HB3 LEU 32 2HB LEU 32 -2.263 0.761 9.911
212 HG LEU 32 HG LEU 32 -1.586 -0.723 8.421
213 HD11 LEU 32 1HD1 LEU 32 -3.406 -1.859 7.282
214 HD12 LEU 32 2HD1 LEU 32 -4.422 -0.421 7.350
215 HD13 LEU 32 3HD1 LEU 32 -3.941 -1.275 8.844
216 HD21 LEU 32 3HD2 LEU 32 -2.495 0.969 6.101
217 HD22 LEU 32 1HD2 LEU 32 -1.796 -0.645 5.992
218 HD23 LEU 32 2HD2 LEU 32 -0.823 0.638 6.690
219 H SER 33 H SER 33 -4.733 1.456 11.197
220 HA SER 33 HA SER 33 -4.352 4.075 12.429
221 HB3 SER 33 2HB SER 33 -4.494 1.435 13.887
222 HG SER 33 HG SER 33 -5.578 2.671 15.336
223 H LEU 34 H LEU 34 -2.944 4.181 14.333
224 HA LEU 34 HA LEU 34 -0.327 4.103 13.681
225 HB3 LEU 34 2HB LEU 34 -0.085 5.462 15.218
226 HG LEU 34 HG LEU 34 -2.512 5.657 15.400
227 HD11 LEU 34 1HD1 LEU 34 -3.686 4.467 17.172
228 HD12 LEU 34 2HD1 LEU 34 -2.145 3.733 17.720
229 HD13 LEU 34 3HD1 LEU 34 -2.802 3.316 16.139
230 HD21 LEU 34 3HD2 LEU 34 -1.132 7.163 16.666
231 HD22 LEU 34 1HD2 LEU 34 -0.919 5.954 17.974
232 HD23 LEU 34 2HD2 LEU 34 -2.509 6.687 17.683
233 H THR 35 H THR 35 -1.925 1.858 15.852
234 HA THR 35 HA THR 35 0.391 0.252 16.271
235 HB THR 35 HB THR 35 -1.483 0.360 17.826
236 HG1 THR 35 1HG THR 35 -1.499 -2.318 17.442
237 HG21 THR 35 3HG2 THR 35 -3.423 0.260 16.264
238 HG22 THR 35 1HG2 THR 35 -3.510 -0.869 17.614
239 HG23 THR 35 2HG2 THR 35 -3.081 -1.468 16.011
240 H GLU 36 H GLU 36 -2.421 -0.233 14.127
241 HA GLU 36 HA GLU 36 -1.790 -2.609 12.858
242 HB3 GLU 36 2HB GLU 36 -3.172 -1.558 10.970
243 HG3 GLU 36 2HG GLU 36 -5.183 -1.043 12.319
244 H ARG 37 H ARG 37 -0.730 0.674 11.978
245 HA ARG 37 HA ARG 37 0.821 -0.087 9.691
246 HB3 ARG 37 2HB ARG 37 0.942 2.307 11.573
247 HG3 ARG 37 2HG ARG 37 2.057 1.950 8.763
248 HD3 ARG 37 2HD ARG 37 1.041 4.090 8.756
249 HE ARG 37 HE ARG 37 2.193 4.499 11.496
250 HH11 ARG 37 1HH1 ARG 37 -0.508 5.196 9.213
251 HH12 ARG 37 2HH1 ARG 37 -1.188 6.348 10.316
252 HH21 ARG 37 1HH2 ARG 37 1.204 6.051 12.830
253 HH22 ARG 37 2HH2 ARG 37 -0.236 6.860 12.258
254 H SER 38 H SER 38 1.613 0.184 13.176
255 HA SER 38 HA SER 38 4.431 -0.250 12.940
256 HB3 SER 38 2HB SER 38 2.821 -1.283 15.284
257 HG SER 38 HG SER 38 4.757 -1.173 16.049
258 H GLN 39 H GLN 39 1.563 -2.446 13.208
259 HA GLN 39 HA GLN 39 3.023 -4.858 13.432
260 HB3 GLN 39 2HB GLN 39 1.034 -6.035 12.912
261 HG3 GLN 39 2HG GLN 39 -0.301 -3.667 14.165
262 HE21 GLN 39 1HE2 GLN 39 -2.377 -4.892 14.189
263 HE22 GLN 39 2HE2 GLN 39 -2.403 -6.399 15.077
264 H ILE 40 H ILE 40 1.474 -3.447 10.508
265 HA ILE 40 HA ILE 40 2.553 -5.303 8.668
266 HB ILE 40 HB ILE 40 1.731 -2.396 8.311
267 HG13 ILE 40 2HG1 ILE 40 -0.079 -3.830 9.083
268 HG21 ILE 40 1HG2 ILE 40 3.231 -3.069 6.436
269 HG22 ILE 40 2HG2 ILE 40 2.229 -4.508 6.154
270 HG23 ILE 40 3HG2 ILE 40 1.574 -2.883 5.868
271 HD11 ILE 40 3HD1 ILE 40 -0.582 -3.702 6.107
272 HD12 ILE 40 1HD1 ILE 40 -1.714 -3.493 7.452
273 HD13 ILE 40 2HD1 ILE 40 -0.512 -2.234 7.104
274 H ALA 41 H ALA 41 3.950 -2.232 9.889
275 HA ALA 41 HA ALA 41 6.166 -2.166 8.148
276 HB1 ALA 41 1HB ALA 41 7.254 -0.762 9.903
277 HB2 ALA 41 2HB ALA 41 5.620 -0.219 9.487
278 HB3 ALA 41 3HB ALA 41 5.897 -1.114 10.992
279 H HIS 42 H HIS 42 5.943 -3.522 11.475
280 HA HIS 42 HA HIS 42 8.645 -4.470 11.503
281 HB3 HIS 42 2HB HIS 42 7.835 -5.847 13.438
282 HD1 HIS 42 1HD HIS 42 7.852 -4.744 15.836
283 HD2 HIS 42 2HD HIS 42 7.266 -2.081 12.631
284 HE1 HIS 42 1HE HIS 42 7.967 -2.379 16.802
285 H ALA 43 H ALA 43 5.520 -6.011 10.665
286 HA ALA 43 HA ALA 43 6.335 -8.637 10.427
287 HB1 ALA 43 1HB ALA 43 4.273 -7.147 8.750
288 HB2 ALA 43 2HB ALA 43 4.417 -8.910 8.883
289 HB3 ALA 43 3HB ALA 43 3.984 -7.946 10.312
290 H LEU 44 H LEU 44 6.582 -6.027 8.058
291 HA LEU 44 HA LEU 44 7.922 -7.832 6.097
292 HB3 LEU 44 2HB LEU 44 7.185 -6.067 4.468
293 HG LEU 44 HG LEU 44 4.921 -7.256 6.114
294 HD11 LEU 44 1HD1 LEU 44 4.896 -6.019 3.328
295 HD12 LEU 44 2HD1 LEU 44 4.237 -5.277 4.808
296 HD13 LEU 44 3HD1 LEU 44 3.525 -6.757 4.177
297 HD21 LEU 44 3HD2 LEU 44 4.783 -8.916 4.297
298 HD22 LEU 44 1HD2 LEU 44 6.354 -8.999 5.079
299 HD23 LEU 44 2HD2 LEU 44 6.191 -8.210 3.486
300 H LYS 45 H LYS 45 9.167 -6.217 8.436
301 HA LYS 45 HA LYS 45 11.083 -5.107 8.863
302 HB3 LYS 45 2HB LYS 45 11.987 -5.559 5.997
303 HG3 LYS 45 2HG LYS 45 13.540 -4.474 7.711
304 HD3 LYS 45 2HD LYS 45 13.416 -7.340 8.792
305 HE3 LYS 45 2HE LYS 45 15.304 -5.073 9.536
306 HZ1 LYS 45 3HZ LYS 45 14.737 -6.673 11.328
307 HZ2 LYS 45 1HZ LYS 45 16.330 -6.714 10.878
308 HZ3 LYS 45 2HZ LYS 45 15.331 -7.900 10.398
309 H LEU 46 H LEU 46 8.837 -3.733 7.189
310 HA LEU 46 HA LEU 46 10.258 -1.511 5.913
311 HB3 LEU 46 2HB LEU 46 7.818 -0.655 5.607
312 HG LEU 46 HG LEU 46 8.549 -3.393 4.546
313 HD11 LEU 46 1HD1 LEU 46 6.147 -1.639 3.814
314 HD12 LEU 46 2HD1 LEU 46 6.062 -3.171 4.693
315 HD13 LEU 46 3HD1 LEU 46 6.596 -3.158 3.014
316 HD21 LEU 46 3HD2 LEU 46 8.396 -0.698 3.169
317 HD22 LEU 46 1HD2 LEU 46 8.785 -2.250 2.411
318 HD23 LEU 46 2HD2 LEU 46 9.891 -1.564 3.628
319 H SER 47 H SER 47 8.961 0.585 6.581
320 HA SER 47 HA SER 47 8.846 0.894 9.542
321 HB3 SER 47 2HB SER 47 9.914 3.191 9.225
322 HG SER 47 HG SER 47 11.924 2.311 9.515
323 H GLU 48 H GLU 48 7.659 2.822 10.169
324 HA GLU 48 HA GLU 48 5.085 2.741 9.336
325 HB3 GLU 48 2HB GLU 48 4.848 5.032 10.353
326 HG3 GLU 48 2HG GLU 48 6.585 3.095 11.931
327 H VAL 49 H VAL 49 7.620 4.728 7.902
328 HA VAL 49 HA VAL 49 5.915 6.646 6.591
329 HB VAL 49 HB VAL 49 8.870 5.879 6.555
330 HG11 VAL 49 1HG1 VAL 49 7.560 8.071 4.904
331 HG12 VAL 49 2HG1 VAL 49 9.302 7.871 5.183
332 HG13 VAL 49 3HG1 VAL 49 8.430 6.639 4.278
333 HG21 VAL 49 3HG2 VAL 49 7.376 8.385 7.432
334 HG22 VAL 49 1HG2 VAL 49 8.024 7.140 8.526
335 HG23 VAL 49 2HG2 VAL 49 9.127 8.126 7.561
336 H GLN 50 H GLN 50 7.781 3.724 5.648
337 HA GLN 50 HA GLN 50 7.102 3.946 2.865
338 HB3 GLN 50 2HB GLN 50 7.937 1.545 2.847
339 HG3 GLN 50 2HG GLN 50 10.227 2.026 3.771
340 HE21 GLN 50 1HE2 GLN 50 10.022 1.717 1.259
341 HE22 GLN 50 2HE2 GLN 50 9.937 3.168 0.260
342 H VAL 51 H VAL 51 5.676 2.240 5.652
343 HA VAL 51 HA VAL 51 3.673 0.823 4.120
344 HB VAL 51 HB VAL 51 3.555 1.820 7.000
345 HG11 VAL 51 1HG1 VAL 51 1.340 1.246 6.193
346 HG12 VAL 51 2HG1 VAL 51 1.906 -0.290 5.547
347 HG13 VAL 51 3HG1 VAL 51 1.886 -0.029 7.301
348 HG21 VAL 51 3HG2 VAL 51 5.498 0.385 6.838
349 HG22 VAL 51 1HG2 VAL 51 4.200 -0.486 7.655
350 HG23 VAL 51 2HG2 VAL 51 4.600 -0.845 5.971
351 H LYS 52 H LYS 52 3.670 3.936 5.897
352 HA LYS 52 HA LYS 52 0.991 4.562 5.326
353 HB3 LYS 52 2HB LYS 52 3.289 6.439 6.095
354 HG3 LYS 52 2HG LYS 52 1.143 7.316 7.489
355 HD3 LYS 52 2HD LYS 52 0.451 8.901 5.789
356 HE3 LYS 52 2HE LYS 52 2.456 10.022 5.346
357 HZ1 LYS 52 3HZ LYS 52 2.045 9.838 7.811
358 HZ2 LYS 52 1HZ LYS 52 3.657 9.963 7.445
359 HZ3 LYS 52 2HZ LYS 52 3.071 8.558 7.876
360 H ILE 53 H ILE 53 3.967 5.713 3.632
361 HA ILE 53 HA ILE 53 2.560 7.397 1.824
362 HB ILE 53 HB ILE 53 5.267 5.966 1.603
363 HG13 ILE 53 2HG1 ILE 53 5.073 7.673 3.454
364 HG21 ILE 53 1HG2 ILE 53 5.816 7.504 -0.259
365 HG22 ILE 53 2HG2 ILE 53 4.442 6.523 -0.682
366 HG23 ILE 53 3HG2 ILE 53 4.186 8.207 -0.181
367 HD11 ILE 53 3HD1 ILE 53 6.737 8.859 1.209
368 HD12 ILE 53 1HD1 ILE 53 6.916 9.089 2.944
369 HD13 ILE 53 2HD1 ILE 53 7.263 7.498 2.228
370 H TRP 54 H TRP 54 3.539 3.899 1.542
371 HA TRP 54 HA TRP 54 2.553 3.572 -1.071
372 HB3 TRP 54 2HB TRP 54 2.442 1.492 1.142
373 HD1 TRP 54 HD TRP 54 4.195 0.908 -2.141
374 HE1 TRP 54 1HE TRP 54 2.904 -0.854 -3.479
375 HE3 TRP 54 3HE TRP 54 0.004 0.530 0.762
376 HZ2 TRP 54 2HZ TRP 54 0.328 -2.152 -3.403
377 HZ3 TRP 54 3HZ TRP 54 -1.776 -1.036 0.197
378 HH2 TRP 54 HH TRP 54 -1.644 -2.365 -1.958
379 H PHE 55 H PHE 55 0.788 3.008 2.034
380 HA PHE 55 HA PHE 55 -1.705 2.397 0.787
381 HB3 PHE 55 2HB PHE 55 -2.552 3.301 3.154
382 HD1 PHE 55 2HD PHE 55 0.322 0.861 3.323
383 HD2 PHE 55 1HD PHE 55 -3.947 1.395 2.955
384 HE1 PHE 55 2HE PHE 55 -0.009 -1.562 3.593
385 HE2 PHE 55 1HE PHE 55 -4.252 -1.069 3.219
386 HZ PHE 55 HZ PHE 55 -2.275 -2.537 3.489
387 H GLN 56 H GLN 56 -0.368 5.568 1.848
388 HA GLN 56 HA GLN 56 -2.610 7.189 1.287
389 HB3 GLN 56 2HB GLN 56 -0.638 8.871 0.725
390 HG3 GLN 56 2HG GLN 56 -0.387 7.786 3.526
391 HE21 GLN 56 1HE2 GLN 56 1.616 9.246 2.479
392 HE22 GLN 56 2HE2 GLN 56 1.528 10.819 3.210
393 H ASN 57 H ASN 57 -0.015 5.966 -0.900
394 HA ASN 57 HA ASN 57 -0.853 7.517 -3.152
395 HB3 ASN 57 2HB ASN 57 0.493 5.407 -4.233
396 HD21 ASN 57 1HD2 ASN 57 3.179 5.995 -2.749
397 HD22 ASN 57 2HD2 ASN 57 3.652 7.483 -3.484
398 H ARG 58 H ARG 58 -1.366 4.121 -2.189
399 HA ARG 58 HA ARG 58 -3.050 3.415 -4.398
400 HB3 ARG 58 2HB ARG 58 -3.783 1.730 -2.342
401 HG3 ARG 58 2HG ARG 58 -1.618 0.442 -2.883
402 HD3 ARG 58 2HD ARG 58 -3.014 1.099 -5.460
403 HE ARG 58 HE ARG 58 -1.429 -0.871 -5.441
404 HH11 ARG 58 1HH1 ARG 58 -4.228 -1.599 -3.480
405 HH12 ARG 58 2HH1 ARG 58 -4.636 -3.098 -4.240
406 HH21 ARG 58 1HH2 ARG 58 -1.738 -3.083 -6.323
407 HH22 ARG 58 2HH2 ARG 58 -3.105 -3.965 -5.844
408 H ARG 59 H ARG 59 -3.861 4.801 -1.162
409 HA ARG 59 HA ARG 59 -6.669 4.812 -1.521
410 HB3 ARG 59 2HB ARG 59 -6.252 7.199 -0.198
411 HG3 ARG 59 2HG ARG 59 -5.814 4.878 1.582
412 HD3 ARG 59 2HD ARG 59 -7.932 5.764 2.592
413 HE ARG 59 HE ARG 59 -5.497 7.101 2.647
414 HH11 ARG 59 1HH1 ARG 59 -8.867 7.747 3.509
415 HH12 ARG 59 2HH1 ARG 59 -8.547 9.257 4.280
416 HH21 ARG 59 1HH2 ARG 59 -5.119 9.276 3.342
417 HH22 ARG 59 2HH2 ARG 59 -6.315 10.125 4.246
418 H ALA 60 H ALA 60 -4.248 7.186 -2.720
419 HA ALA 60 HA ALA 60 -6.038 9.192 -3.438
420 HB1 ALA 60 1HB ALA 60 -3.545 9.360 -3.513
421 HB2 ALA 60 2HB ALA 60 -3.548 8.386 -5.002
422 HB3 ALA 60 3HB ALA 60 -4.335 9.962 -4.984
423 H LYS 61 H LYS 61 -4.966 6.445 -5.472
424 HA LYS 61 HA LYS 61 -6.555 6.990 -7.715
425 HB3 LYS 61 2HB LYS 61 -5.773 4.251 -6.632
426 HG3 LYS 61 2HG LYS 61 -6.585 5.169 -9.431
427 HD3 LYS 61 2HD LYS 61 -5.392 2.512 -8.489
428 HE3 LYS 61 2HE LYS 61 -5.630 2.005 -11.026
429 HZ1 LYS 61 3HZ LYS 61 -7.979 1.344 -10.813
430 HZ2 LYS 61 1HZ LYS 61 -8.037 2.008 -9.312
431 HZ3 LYS 61 2HZ LYS 61 -7.031 0.739 -9.657
432 H TRP 62 H TRP 62 -7.570 5.286 -4.714
433 HA TRP 62 HA TRP 62 -10.225 4.643 -5.687
434 HB3 TRP 62 2HB TRP 62 -9.175 5.081 -2.872
435 HD1 TRP 62 HD TRP 62 -12.132 3.198 -4.529
436 HE1 TRP 62 1HE TRP 62 -13.999 3.095 -2.841
437 HE3 TRP 62 3HE TRP 62 -9.824 5.698 -0.711
438 HZ2 TRP 62 2HZ TRP 62 -14.409 3.884 -0.041
439 HZ3 TRP 62 3HZ TRP 62 -10.964 5.931 1.504
440 HH2 TRP 62 HH TRP 62 -13.214 4.967 1.834
441 H LYS 63 H LYS 63 -8.903 7.345 -3.694
442 HA LYS 63 HA LYS 63 -11.367 8.537 -3.104
443 HB3 LYS 63 2HB LYS 63 -10.165 10.599 -2.629
444 HG3 LYS 63 2HG LYS 63 -8.027 8.866 -1.654
445 HD3 LYS 63 2HD LYS 63 -8.960 11.013 -0.574
446 HE3 LYS 63 2HE LYS 63 -10.944 8.921 0.451
447 HZ1 LYS 63 3HZ LYS 63 -11.582 10.359 2.046
448 HZ2 LYS 63 1HZ LYS 63 -10.998 11.715 1.296
449 HZ3 LYS 63 2HZ LYS 63 -9.957 10.727 2.036
450 H ARG 64 H ARG 64 -9.339 9.037 -6.055
451 HA ARG 64 HA ARG 64 -10.906 11.301 -6.853
452 HB3 ARG 64 2HB ARG 64 -8.495 10.891 -7.488
453 HG3 ARG 64 2HG ARG 64 -9.776 9.035 -9.531
454 HD3 ARG 64 2HD ARG 64 -6.813 9.533 -9.168
455 HE ARG 64 HE ARG 64 -8.384 8.039 -11.056
456 HH11 ARG 64 1HH1 ARG 64 -5.763 10.480 -11.134
457 HH12 ARG 64 2HH1 ARG 64 -5.016 9.756 -12.530
458 HH21 ARG 64 1HH2 ARG 64 -7.731 7.504 -13.082
459 HH22 ARG 64 2HH2 ARG 64 -6.358 8.212 -13.862
460 H ILE 65 H ILE 65 -11.334 8.024 -7.120
461 HA ILE 65 HA ILE 65 -13.122 8.140 -9.425
462 HB ILE 65 HB ILE 65 -12.334 5.850 -7.574
463 HG13 ILE 65 2HG1 ILE 65 -10.622 6.814 -9.241
464 HG21 ILE 65 1HG2 ILE 65 -14.606 5.428 -8.396
465 HG22 ILE 65 2HG2 ILE 65 -14.073 5.714 -10.069
466 HG23 ILE 65 3HG2 ILE 65 -13.469 4.320 -9.148
467 HD11 ILE 65 3HD1 ILE 65 -10.547 4.449 -8.334
468 HD12 ILE 65 1HD1 ILE 65 -11.331 3.942 -9.846
469 HD13 ILE 65 2HD1 ILE 65 -9.743 4.743 -9.885
470 H LYS 66 H LYS 66 -13.328 7.198 -5.991
471 HA LYS 66 HA LYS 66 -16.162 7.126 -5.895
472 HB3 LYS 66 2HB LYS 66 -14.503 5.915 -4.416
473 HG3 LYS 66 2HG LYS 66 -13.762 8.615 -3.616
474 HD3 LYS 66 2HD LYS 66 -14.475 6.912 -1.254
475 HE3 LYS 66 2HE LYS 66 -13.645 9.743 -1.753
476 HZ1 LYS 66 3HZ LYS 66 -15.670 9.106 0.314
477 HZ2 LYS 66 1HZ LYS 66 -15.797 10.182 -0.921
478 HZ3 LYS 66 2HZ LYS 66 -14.766 10.475 0.289
479 H ALA 67 H ALA 67 -14.284 9.899 -6.068
480 HA ALA 67 HA ALA 67 -15.828 11.689 -4.362
481 HB1 ALA 67 1HB ALA 67 -13.775 12.244 -6.540
482 HB2 ALA 67 2HB ALA 67 -14.409 13.413 -5.364
483 HB3 ALA 67 3HB ALA 67 -13.429 12.049 -4.808
484 H GLY 68 H GLY 68 -16.602 10.192 -7.287
485 HA2 GLY 68 1HA GLY 68 -18.971 11.317 -7.892
486 HA3 GLY 68 2HA GLY 68 -17.847 12.514 -8.572
487 H ASN 69 H ASN 69 -17.363 12.108 -10.692
488 HA ASN 69 HA ASN 69 -15.910 9.808 -11.347
489 HB3 ASN 69 2HB ASN 69 -17.858 8.614 -11.912
490 HD21 ASN 69 1HD2 ASN 69 -19.960 9.184 -11.182
491 HD22 ASN 69 2HD2 ASN 69 -20.949 10.355 -11.998
492 H VAL 70 H VAL 70 -14.637 10.342 -13.141
493 HA VAL 70 HA VAL 70 -14.775 13.135 -14.142
494 HB VAL 70 HB VAL 70 -12.274 12.238 -12.699
495 HG11 VAL 70 1HG1 VAL 70 -12.206 14.275 -14.122
496 HG12 VAL 70 2HG1 VAL 70 -13.521 14.988 -13.174
497 HG13 VAL 70 3HG1 VAL 70 -11.938 14.669 -12.425
498 HG21 VAL 70 3HG2 VAL 70 -13.843 11.972 -10.894
499 HG22 VAL 70 1HG2 VAL 70 -12.936 13.459 -10.651
500 HG23 VAL 70 2HG2 VAL 70 -14.601 13.538 -11.254
501 H SER 71 H SER 71 -15.113 10.773 -15.584
502 HA SER 71 HA SER 71 -14.382 9.333 -17.147
503 HB3 SER 71 2HB SER 71 -12.542 9.831 -18.626
504 HG SER 71 HG SER 71 -13.074 11.860 -19.365
Start of MODEL 20
1 H1 SER 1 H SER 1 -7.834 -10.192 -15.719
2 HA SER 1 HA SER 1 -8.269 -8.381 -13.423
3 HB3 SER 1 2HB SER 1 -8.756 -10.734 -12.947
4 HG SER 1 HG SER 1 -7.305 -12.351 -13.322
5 H ALA 2 H ALA 2 -6.521 -7.216 -12.612
6 HA ALA 2 HA ALA 2 -3.805 -7.774 -13.581
7 HB1 ALA 2 1HB ALA 2 -5.218 -5.175 -14.316
8 HB2 ALA 2 2HB ALA 2 -3.481 -5.510 -14.510
9 HB3 ALA 2 3HB ALA 2 -4.670 -6.441 -15.436
10 HA PRO 3 HA PRO 3 -3.869 -5.886 -9.338
11 HB3 PRO 3 2HB PRO 3 -3.804 -7.912 -8.261
12 HG3 PRO 3 2HG PRO 3 -2.975 -9.863 -9.319
13 HD3 PRO 3 2HD PRO 3 -4.487 -9.040 -10.918
14 H GLY 4 H GLY 4 -0.875 -7.431 -10.709
15 HA2 GLY 4 1HA GLY 4 0.569 -5.607 -11.968
16 HA3 GLY 4 2HA GLY 4 0.626 -4.945 -10.320
17 H GLY 5 H GLY 5 2.981 -5.594 -11.322
18 HA2 GLY 5 1HA GLY 5 4.872 -6.437 -10.288
19 HA3 GLY 5 2HA GLY 5 3.858 -7.470 -9.284
20 H LYS 6 H LYS 6 5.585 -7.185 -12.308
21 HA LYS 6 HA LYS 6 5.853 -10.118 -12.451
22 HB3 LYS 6 2HB LYS 6 5.087 -8.462 -14.912
23 HG3 LYS 6 2HG LYS 6 5.130 -11.472 -14.357
24 HD3 LYS 6 2HD LYS 6 4.596 -9.981 -16.964
25 HE3 LYS 6 2HE LYS 6 4.348 -12.897 -16.111
26 HZ1 LYS 6 3HZ LYS 6 3.618 -13.316 -18.285
27 HZ2 LYS 6 1HZ LYS 6 3.812 -11.751 -18.785
28 HZ3 LYS 6 2HZ LYS 6 2.648 -12.166 -17.670
29 H SER 7 H SER 7 7.673 -8.736 -11.308
30 HA SER 7 HA SER 7 9.785 -7.964 -13.268
31 HB3 SER 7 2HB SER 7 8.671 -5.919 -12.845
32 HG SER 7 HG SER 7 8.028 -5.258 -10.861
33 H ARG 8 H ARG 8 9.024 -8.188 -9.819
34 HA ARG 8 HA ARG 8 10.122 -8.961 -8.015
35 HB3 ARG 8 2HB ARG 8 10.968 -11.241 -8.172
36 HG3 ARG 8 2HG ARG 8 8.579 -10.872 -10.033
37 HD3 ARG 8 2HD ARG 8 9.263 -13.088 -8.069
38 HE ARG 8 HE ARG 8 6.768 -12.116 -8.534
39 HH11 ARG 8 1HH1 ARG 8 8.292 -15.228 -9.129
40 HH12 ARG 8 2HH1 ARG 8 6.851 -16.086 -9.484
41 HH21 ARG 8 1HH2 ARG 8 4.783 -13.216 -8.707
42 HH22 ARG 8 2HH2 ARG 8 4.748 -14.908 -9.046
43 H ARG 9 H ARG 9 11.262 -6.903 -8.393
44 HA ARG 9 HA ARG 9 13.998 -6.890 -9.300
45 HB3 ARG 9 2HB ARG 9 12.469 -4.878 -7.560
46 HG3 ARG 9 2HG ARG 9 14.756 -4.548 -9.541
47 HD3 ARG 9 2HD ARG 9 13.560 -2.359 -7.847
48 HE ARG 9 HE ARG 9 15.593 -1.715 -8.713
49 HH11 ARG 9 1HH1 ARG 9 13.190 -2.192 -11.306
50 HH12 ARG 9 2HH1 ARG 9 14.172 -1.490 -12.544
51 HH21 ARG 9 1HH2 ARG 9 16.955 -1.056 -10.383
52 HH22 ARG 9 2HH2 ARG 9 16.413 -0.742 -11.986
53 H ARG 10 H ARG 10 12.527 -7.536 -6.190
54 HA ARG 10 HA ARG 10 13.094 -7.611 -4.109
55 HB3 ARG 10 2HB ARG 10 14.191 -9.642 -4.988
56 HG3 ARG 10 2HG ARG 10 16.724 -7.953 -4.702
57 HD3 ARG 10 2HD ARG 10 16.755 -10.228 -3.524
58 HE ARG 10 HE ARG 10 15.890 -11.171 -6.049
59 HH11 ARG 10 1HH1 ARG 10 18.511 -11.784 -3.781
60 HH12 ARG 10 2HH1 ARG 10 18.827 -13.407 -4.256
61 HH21 ARG 10 1HH2 ARG 10 16.126 -13.314 -6.692
62 HH22 ARG 10 2HH2 ARG 10 17.339 -14.349 -6.041
63 H ARG 11 H ARG 11 14.142 -5.057 -5.593
64 HA ARG 11 HA ARG 11 15.732 -4.002 -3.351
65 HB3 ARG 11 2HB ARG 11 16.620 -3.553 -6.212
66 HG3 ARG 11 2HG ARG 11 18.676 -4.172 -4.197
67 HD3 ARG 11 2HD ARG 11 18.368 -2.298 -6.338
68 HE ARG 11 HE ARG 11 19.005 -1.080 -3.701
69 HH11 ARG 11 1HH1 ARG 11 19.195 -0.536 -7.155
70 HH12 ARG 11 2HH1 ARG 11 18.764 1.156 -7.102
71 HH21 ARG 11 1HH2 ARG 11 18.712 1.207 -3.541
72 HH22 ARG 11 2HH2 ARG 11 18.672 2.181 -4.961
73 H THR 12 H THR 12 15.968 -1.632 -3.623
74 HA THR 12 HA THR 12 15.489 0.430 -4.197
75 HB THR 12 HB THR 12 13.971 -0.305 -6.623
76 HG1 THR 12 1HG THR 12 16.817 -0.278 -6.619
77 HG21 THR 12 3HG2 THR 12 15.989 1.860 -5.995
78 HG22 THR 12 1HG2 THR 12 14.228 2.043 -6.113
79 HG23 THR 12 2HG2 THR 12 15.171 1.667 -7.562
80 H ALA 13 H ALA 13 14.210 1.295 -3.004
81 HA ALA 13 HA ALA 13 12.569 1.924 -1.605
82 HB1 ALA 13 1HB ALA 13 10.442 2.555 -2.513
83 HB2 ALA 13 2HB ALA 13 11.743 3.014 -3.632
84 HB3 ALA 13 3HB ALA 13 10.725 1.597 -3.980
85 H PHE 14 H PHE 14 10.922 -0.721 -3.447
86 HA PHE 14 HA PHE 14 10.125 -2.014 -0.891
87 HB3 PHE 14 2HB PHE 14 7.929 -2.455 -1.933
88 HD1 PHE 14 1HD PHE 14 8.685 0.929 -3.161
89 HD2 PHE 14 2HD PHE 14 7.406 -1.387 0.197
90 HE1 PHE 14 1HE PHE 14 8.069 3.034 -1.958
91 HE2 PHE 14 2HE PHE 14 6.647 0.679 1.360
92 HZ PHE 14 HZ PHE 14 7.027 2.914 0.291
93 H THR 15 H THR 15 8.859 -4.279 -2.138
94 HA THR 15 HA THR 15 10.658 -5.194 -4.251
95 HB THR 15 HB THR 15 10.896 -7.372 -3.413
96 HG1 THR 15 1HG THR 15 10.020 -7.971 -1.338
97 HG21 THR 15 3HG2 THR 15 11.489 -5.650 -0.976
98 HG22 THR 15 1HG2 THR 15 12.508 -5.746 -2.424
99 HG23 THR 15 2HG2 THR 15 12.246 -7.193 -1.428
100 H SER 16 H SER 16 9.421 -7.308 -5.248
101 HA SER 16 HA SER 16 6.872 -6.411 -6.120
102 HB3 SER 16 2HB SER 16 7.986 -7.875 -7.573
103 HG SER 16 HG SER 16 8.237 -10.143 -6.086
104 H GLU 17 H GLU 17 7.822 -8.710 -3.600
105 HA GLU 17 HA GLU 17 5.183 -9.701 -3.043
106 HB3 GLU 17 2HB GLU 17 6.508 -10.323 -0.831
107 HG3 GLU 17 2HG GLU 17 6.706 -11.394 -3.596
108 H GLN 18 H GLN 18 7.287 -7.237 -1.446
109 HA GLN 18 HA GLN 18 5.415 -6.423 0.526
110 HB3 GLN 18 2HB GLN 18 6.713 -4.273 0.513
111 HG3 GLN 18 2HG GLN 18 8.465 -6.764 0.423
112 HE21 GLN 18 1HE2 GLN 18 9.474 -5.937 3.080
113 HE22 GLN 18 2HE2 GLN 18 10.622 -4.681 2.844
114 H LEU 19 H LEU 19 5.868 -5.298 -2.850
115 HA LEU 19 HA LEU 19 3.783 -3.315 -2.719
116 HB3 LEU 19 2HB LEU 19 3.975 -3.612 -5.320
117 HG LEU 19 HG LEU 19 6.410 -2.856 -3.664
118 HD11 LEU 19 1HD1 LEU 19 7.213 -1.747 -5.716
119 HD12 LEU 19 2HD1 LEU 19 5.840 -2.435 -6.622
120 HD13 LEU 19 3HD1 LEU 19 7.079 -3.493 -5.936
121 HD21 LEU 19 3HD2 LEU 19 5.681 -0.537 -4.290
122 HD22 LEU 19 1HD2 LEU 19 4.542 -1.379 -3.241
123 HD23 LEU 19 2HD2 LEU 19 4.175 -1.237 -4.962
124 H LEU 20 H LEU 20 3.618 -6.785 -3.126
125 HA LEU 20 HA LEU 20 0.986 -6.681 -4.442
126 HB3 LEU 20 2HB LEU 20 2.641 -9.020 -3.386
127 HG LEU 20 HG LEU 20 1.402 -10.306 -5.165
128 HD11 LEU 20 1HD1 LEU 20 1.012 -10.646 -2.737
129 HD12 LEU 20 2HD1 LEU 20 -0.377 -11.046 -3.752
130 HD13 LEU 20 3HD1 LEU 20 -0.356 -9.534 -2.820
131 HD21 LEU 20 3HD2 LEU 20 -0.754 -8.176 -4.920
132 HD22 LEU 20 1HD2 LEU 20 -0.811 -9.659 -5.878
133 HD23 LEU 20 2HD2 LEU 20 0.327 -8.369 -6.315
134 H GLU 21 H GLU 21 2.410 -7.492 -1.247
135 HA GLU 21 HA GLU 21 -0.128 -7.979 0.037
136 HB3 GLU 21 2HB GLU 21 1.326 -7.641 2.101
137 HG3 GLU 21 2HG GLU 21 2.772 -9.625 0.389
138 H LEU 22 H LEU 22 1.283 -5.087 -1.045
139 HA LEU 22 HA LEU 22 0.115 -3.361 1.030
140 HB3 LEU 22 2HB LEU 22 0.880 -1.813 -1.213
141 HG LEU 22 HG LEU 22 1.526 -0.974 0.882
142 HD11 LEU 22 1HD1 LEU 22 3.111 -3.501 1.408
143 HD12 LEU 22 2HD1 LEU 22 1.711 -2.934 2.329
144 HD13 LEU 22 3HD1 LEU 22 3.224 -2.033 2.386
145 HD21 LEU 22 3HD2 LEU 22 4.091 -1.998 -0.404
146 HD22 LEU 22 1HD2 LEU 22 3.921 -0.550 0.610
147 HD23 LEU 22 2HD2 LEU 22 3.137 -0.615 -0.987
148 H GLU 23 H GLU 23 -0.533 -4.109 -2.447
149 HA GLU 23 HA GLU 23 -2.955 -2.540 -2.477
150 HB3 GLU 23 2HB GLU 23 -1.802 -2.990 -4.546
151 HG3 GLU 23 2HG GLU 23 -2.134 -5.863 -3.745
152 H LYS 24 H LYS 24 -2.229 -5.816 -1.522
153 HA LYS 24 HA LYS 24 -4.688 -7.029 -1.384
154 HB3 LYS 24 2HB LYS 24 -2.729 -7.162 0.950
155 HG3 LYS 24 2HG LYS 24 -4.726 -8.906 -0.130
156 HD3 LYS 24 2HD LYS 24 -3.341 -11.020 -0.210
157 HE3 LYS 24 2HE LYS 24 -2.205 -10.636 -2.436
158 HZ1 LYS 24 3HZ LYS 24 -4.534 -11.142 -2.511
159 HZ2 LYS 24 1HZ LYS 24 -4.194 -9.981 -3.654
160 HZ3 LYS 24 2HZ LYS 24 -4.966 -9.584 -2.273
161 H GLU 25 H GLU 25 -3.288 -4.711 0.926
162 HA GLU 25 HA GLU 25 -5.306 -4.922 2.865
163 HB3 GLU 25 2HB GLU 25 -3.824 -2.325 2.518
164 HG3 GLU 25 2HG GLU 25 -5.046 -2.924 4.612
165 H PHE 26 H PHE 26 -5.595 -3.437 -0.243
166 HA PHE 26 HA PHE 26 -7.433 -1.328 0.722
167 HB3 PHE 26 2HB PHE 26 -6.947 -1.818 -2.199
168 HD1 PHE 26 2HD PHE 26 -6.916 0.673 0.654
169 HD2 PHE 26 1HD PHE 26 -7.582 0.073 -3.567
170 HE1 PHE 26 2HE PHE 26 -7.753 2.977 0.449
171 HE2 PHE 26 1HE PHE 26 -8.480 2.361 -3.736
172 HZ PHE 26 HZ PHE 26 -8.578 3.833 -1.691
173 H HIS 27 H HIS 27 -7.870 -4.494 0.493
174 HA HIS 27 HA HIS 27 -10.224 -4.497 -1.200
175 HB3 HIS 27 2HB HIS 27 -9.841 -6.836 0.550
176 HD1 HIS 27 1HD HIS 27 -8.594 -7.633 -2.738
177 HD2 HIS 27 2HD HIS 27 -12.342 -6.570 -1.098
178 HE1 HIS 27 1HE HIS 27 -10.347 -8.378 -4.415
179 H CYS 28 H CYS 28 -9.953 -5.396 2.364
180 HA CYS 28 HA CYS 28 -12.787 -4.771 2.636
181 HB3 CYS 28 2HB CYS 28 -12.435 -5.367 4.999
182 HG CYS 28 HG CYS 28 -13.067 -7.223 3.231
183 H LYS 29 H LYS 29 -9.634 -3.437 3.750
184 HA LYS 29 HA LYS 29 -11.062 -1.239 5.003
185 HB3 LYS 29 2HB LYS 29 -8.697 -0.628 5.801
186 HG3 LYS 29 2HG LYS 29 -8.461 -2.799 7.182
187 HD3 LYS 29 2HD LYS 29 -11.149 -1.391 7.440
188 HE3 LYS 29 2HE LYS 29 -9.188 -2.753 9.333
189 HZ1 LYS 29 3HZ LYS 29 -10.034 -0.831 10.433
190 HZ2 LYS 29 1HZ LYS 29 -10.736 -2.160 11.070
191 HZ3 LYS 29 2HZ LYS 29 -11.596 -1.193 10.046
192 H LYS 30 H LYS 30 -10.336 0.982 4.740
193 HA LYS 30 HA LYS 30 -9.342 1.677 1.999
194 HB3 LYS 30 2HB LYS 30 -10.649 3.886 2.549
195 HG3 LYS 30 2HG LYS 30 -12.825 3.057 1.857
196 HD3 LYS 30 2HD LYS 30 -10.707 1.552 0.260
197 HE3 LYS 30 2HE LYS 30 -12.030 2.064 -1.672
198 HZ1 LYS 30 3HZ LYS 30 -14.061 1.189 0.255
199 HZ2 LYS 30 1HZ LYS 30 -12.816 0.200 -0.170
200 HZ3 LYS 30 2HZ LYS 30 -13.848 0.717 -1.325
201 H TYR 31 H TYR 31 -8.744 1.967 5.454
202 HA TYR 31 HA TYR 31 -6.404 3.644 4.954
203 HB3 TYR 31 2HB TYR 31 -7.915 5.404 5.370
204 HD1 TYR 31 1HD TYR 31 -8.462 3.574 8.649
205 HD2 TYR 31 2HD TYR 31 -10.251 5.400 5.164
206 HE1 TYR 31 1HE TYR 31 -10.699 3.161 9.574
207 HE2 TYR 31 2HE TYR 31 -12.482 5.006 6.064
208 HH TYR 31 HH TYR 31 -13.719 4.091 7.852
209 H LEU 32 H LEU 32 -5.193 3.780 7.146
210 HA LEU 32 HA LEU 32 -5.544 1.247 8.703
211 HB3 LEU 32 2HB LEU 32 -3.057 1.549 9.168
212 HG LEU 32 HG LEU 32 -3.728 1.126 6.223
213 HD11 LEU 32 1HD1 LEU 32 -1.444 0.084 6.168
214 HD12 LEU 32 2HD1 LEU 32 -1.127 0.804 7.758
215 HD13 LEU 32 3HD1 LEU 32 -1.458 1.824 6.328
216 HD21 LEU 32 3HD2 LEU 32 -3.570 -1.205 6.712
217 HD22 LEU 32 1HD2 LEU 32 -4.636 -0.560 7.928
218 HD23 LEU 32 2HD2 LEU 32 -2.944 -0.906 8.348
219 H SER 33 H SER 33 -5.319 1.377 10.843
220 HA SER 33 HA SER 33 -5.593 3.775 12.380
221 HB3 SER 33 2HB SER 33 -4.655 0.986 13.104
222 HG SER 33 HG SER 33 -6.039 1.596 14.983
223 H LEU 34 H LEU 34 -4.028 3.589 14.339
224 HA LEU 34 HA LEU 34 -1.317 4.504 13.752
225 HB3 LEU 34 2HB LEU 34 -1.747 3.497 16.476
226 HG LEU 34 HG LEU 34 -1.589 6.298 15.328
227 HD11 LEU 34 1HD1 LEU 34 -1.392 5.375 18.239
228 HD12 LEU 34 2HD1 LEU 34 -2.730 6.306 17.530
229 HD13 LEU 34 3HD1 LEU 34 -1.131 7.031 17.644
230 HD21 LEU 34 3HD2 LEU 34 0.470 4.539 16.738
231 HD22 LEU 34 1HD2 LEU 34 0.736 6.219 16.209
232 HD23 LEU 34 2HD2 LEU 34 0.468 4.918 15.032
233 H THR 35 H THR 35 -2.680 1.723 15.479
234 HA THR 35 HA THR 35 -0.285 0.376 15.603
235 HB THR 35 HB THR 35 -2.982 -0.992 15.862
236 HG1 THR 35 1HG THR 35 -3.466 0.154 17.618
237 HG21 THR 35 3HG2 THR 35 -0.462 -0.969 17.587
238 HG22 THR 35 1HG2 THR 35 -0.960 -2.270 16.492
239 HG23 THR 35 2HG2 THR 35 -1.937 -1.888 17.924
240 H GLU 36 H GLU 36 -2.942 -0.061 13.283
241 HA GLU 36 HA GLU 36 -2.145 -2.554 12.198
242 HB3 GLU 36 2HB GLU 36 -3.595 -1.804 10.255
243 HG3 GLU 36 2HG GLU 36 -4.388 -1.994 13.095
244 H ARG 37 H ARG 37 -0.978 0.717 11.506
245 HA ARG 37 HA ARG 37 0.481 0.087 9.093
246 HB3 ARG 37 2HB ARG 37 0.955 2.184 11.263
247 HG3 ARG 37 2HG ARG 37 1.903 2.188 8.363
248 HD3 ARG 37 2HD ARG 37 1.367 4.446 9.101
249 HE ARG 37 HE ARG 37 3.207 4.029 11.456
250 HH11 ARG 37 1HH1 ARG 37 0.335 5.741 10.125
251 HH12 ARG 37 2HH1 ARG 37 -0.014 6.455 11.669
252 HH21 ARG 37 1HH2 ARG 37 2.679 4.955 13.371
253 HH22 ARG 37 2HH2 ARG 37 1.294 6.001 13.520
254 H SER 38 H SER 38 1.203 -0.247 12.561
255 HA SER 38 HA SER 38 4.020 -0.800 12.184
256 HB3 SER 38 2HB SER 38 2.163 -1.405 14.515
257 HG SER 38 HG SER 38 5.002 -1.046 14.525
258 H GLN 39 H GLN 39 1.033 -2.836 12.563
259 HA GLN 39 HA GLN 39 2.428 -5.306 12.610
260 HB3 GLN 39 2HB GLN 39 0.283 -6.350 11.978
261 HG3 GLN 39 2HG GLN 39 -0.414 -4.101 13.874
262 HE21 GLN 39 1HE2 GLN 39 -2.614 -5.478 12.987
263 HE22 GLN 39 2HE2 GLN 39 -2.972 -6.752 14.147
264 H ILE 40 H ILE 40 1.089 -3.516 9.835
265 HA ILE 40 HA ILE 40 1.885 -5.402 7.823
266 HB ILE 40 HB ILE 40 1.400 -2.392 7.747
267 HG13 ILE 40 2HG1 ILE 40 -0.482 -4.030 8.336
268 HG21 ILE 40 1HG2 ILE 40 1.204 -2.632 5.254
269 HG22 ILE 40 2HG2 ILE 40 2.851 -2.932 5.829
270 HG23 ILE 40 3HG2 ILE 40 1.807 -4.290 5.396
271 HD11 ILE 40 3HD1 ILE 40 -0.954 -1.812 7.387
272 HD12 ILE 40 1HD1 ILE 40 -0.974 -2.540 5.753
273 HD13 ILE 40 2HD1 ILE 40 -2.151 -3.057 6.971
274 H ALA 41 H ALA 41 3.556 -2.532 9.203
275 HA ALA 41 HA ALA 41 5.861 -2.671 7.595
276 HB1 ALA 41 1HB ALA 41 5.307 -0.724 8.981
277 HB2 ALA 41 2HB ALA 41 5.564 -1.676 10.462
278 HB3 ALA 41 3HB ALA 41 6.921 -1.316 9.384
279 H HIS 42 H HIS 42 5.173 -4.251 10.740
280 HA HIS 42 HA HIS 42 7.648 -5.617 11.055
281 HB3 HIS 42 2HB HIS 42 6.148 -7.272 12.339
282 HD1 HIS 42 1HD HIS 42 5.734 -6.787 14.923
283 HD2 HIS 42 2HD HIS 42 7.010 -3.535 12.566
284 HE1 HIS 42 1HE HIS 42 6.622 -5.025 16.531
285 H ALA 43 H ALA 43 4.547 -6.887 9.709
286 HA ALA 43 HA ALA 43 5.462 -9.436 9.093
287 HB1 ALA 43 1HB ALA 43 3.546 -9.552 7.524
288 HB2 ALA 43 2HB ALA 43 3.077 -8.813 9.058
289 HB3 ALA 43 3HB ALA 43 3.344 -7.787 7.636
290 H LEU 44 H LEU 44 5.448 -6.572 6.966
291 HA LEU 44 HA LEU 44 6.664 -8.103 4.783
292 HB3 LEU 44 2HB LEU 44 6.553 -5.864 3.623
293 HG LEU 44 HG LEU 44 3.939 -6.611 5.004
294 HD11 LEU 44 1HD1 LEU 44 3.892 -4.439 3.868
295 HD12 LEU 44 2HD1 LEU 44 2.919 -5.609 2.996
296 HD13 LEU 44 3HD1 LEU 44 4.533 -5.177 2.374
297 HD21 LEU 44 3HD2 LEU 44 4.810 -8.624 3.931
298 HD22 LEU 44 1HD2 LEU 44 5.191 -7.715 2.443
299 HD23 LEU 44 2HD2 LEU 44 3.521 -7.955 2.959
300 H LYS 45 H LYS 45 8.006 -6.507 7.452
301 HA LYS 45 HA LYS 45 9.955 -5.603 7.977
302 HB3 LYS 45 2HB LYS 45 11.437 -6.773 5.615
303 HG3 LYS 45 2HG LYS 45 11.950 -6.645 8.630
304 HD3 LYS 45 2HD LYS 45 13.728 -7.398 6.274
305 HE3 LYS 45 2HE LYS 45 14.391 -6.549 9.131
306 HZ1 LYS 45 3HZ LYS 45 16.127 -7.815 7.105
307 HZ2 LYS 45 1HZ LYS 45 15.801 -8.355 8.634
308 HZ3 LYS 45 2HZ LYS 45 16.690 -6.987 8.401
309 H LEU 46 H LEU 46 8.502 -3.797 7.215
310 HA LEU 46 HA LEU 46 10.026 -2.016 5.405
311 HB3 LEU 46 2HB LEU 46 7.671 -0.856 5.260
312 HG LEU 46 HG LEU 46 8.197 -3.466 3.830
313 HD11 LEU 46 1HD1 LEU 46 5.768 -2.974 3.871
314 HD12 LEU 46 2HD1 LEU 46 6.431 -2.809 2.244
315 HD13 LEU 46 3HD1 LEU 46 6.079 -1.358 3.201
316 HD21 LEU 46 3HD2 LEU 46 9.811 -1.652 3.270
317 HD22 LEU 46 1HD2 LEU 46 8.443 -0.591 2.846
318 HD23 LEU 46 2HD2 LEU 46 8.777 -2.059 1.910
319 H SER 47 H SER 47 9.395 0.233 6.049
320 HA SER 47 HA SER 47 9.440 0.541 9.035
321 HB3 SER 47 2HB SER 47 10.431 2.706 8.659
322 HG SER 47 HG SER 47 12.004 1.264 6.868
323 H GLU 48 H GLU 48 7.989 2.182 9.883
324 HA GLU 48 HA GLU 48 5.396 2.218 8.962
325 HB3 GLU 48 2HB GLU 48 5.317 4.556 10.198
326 HG3 GLU 48 2HG GLU 48 6.159 2.042 11.645
327 H VAL 49 H VAL 49 7.948 4.461 7.976
328 HA VAL 49 HA VAL 49 6.151 6.422 6.784
329 HB VAL 49 HB VAL 49 9.141 6.026 6.856
330 HG11 VAL 49 1HG1 VAL 49 8.796 6.979 4.676
331 HG12 VAL 49 2HG1 VAL 49 7.659 8.181 5.340
332 HG13 VAL 49 3HG1 VAL 49 9.377 8.238 5.771
333 HG21 VAL 49 3HG2 VAL 49 7.245 8.180 7.906
334 HG22 VAL 49 1HG2 VAL 49 8.052 6.927 8.890
335 HG23 VAL 49 2HG2 VAL 49 9.003 8.177 8.087
336 H GLN 50 H GLN 50 8.182 3.659 5.612
337 HA GLN 50 HA GLN 50 7.687 4.143 2.846
338 HB3 GLN 50 2HB GLN 50 8.193 1.716 2.626
339 HG3 GLN 50 2HG GLN 50 10.228 2.038 4.626
340 HE21 GLN 50 1HE2 GLN 50 9.415 2.282 1.062
341 HE22 GLN 50 2HE2 GLN 50 10.828 1.341 0.648
342 H VAL 51 H VAL 51 5.899 2.398 5.398
343 HA VAL 51 HA VAL 51 3.880 1.338 3.582
344 HB VAL 51 HB VAL 51 3.695 1.845 6.587
345 HG11 VAL 51 1HG1 VAL 51 1.462 1.508 5.557
346 HG12 VAL 51 2HG1 VAL 51 2.042 0.011 4.799
347 HG13 VAL 51 3HG1 VAL 51 1.922 0.125 6.561
348 HG21 VAL 51 3HG2 VAL 51 5.557 0.305 6.108
349 HG22 VAL 51 1HG2 VAL 51 4.209 -0.576 6.814
350 HG23 VAL 51 2HG2 VAL 51 4.505 -0.676 5.067
351 H LYS 52 H LYS 52 3.898 4.064 5.876
352 HA LYS 52 HA LYS 52 1.458 5.220 5.386
353 HB3 LYS 52 2HB LYS 52 4.140 6.367 6.164
354 HG3 LYS 52 2HG LYS 52 1.471 7.774 6.416
355 HD3 LYS 52 2HD LYS 52 4.138 8.062 7.858
356 HE3 LYS 52 2HE LYS 52 2.077 10.214 7.311
357 HZ1 LYS 52 3HZ LYS 52 3.330 11.532 8.920
358 HZ2 LYS 52 1HZ LYS 52 4.432 10.344 9.140
359 HZ3 LYS 52 2HZ LYS 52 2.920 10.143 9.678
360 H ILE 53 H ILE 53 4.500 6.021 3.575
361 HA ILE 53 HA ILE 53 3.297 8.023 1.945
362 HB ILE 53 HB ILE 53 5.786 6.281 1.589
363 HG13 ILE 53 2HG1 ILE 53 5.701 7.906 3.523
364 HG21 ILE 53 1HG2 ILE 53 5.053 7.059 -0.658
365 HG22 ILE 53 2HG2 ILE 53 4.965 8.735 -0.058
366 HG23 ILE 53 3HG2 ILE 53 6.516 7.870 -0.165
367 HD11 ILE 53 3HD1 ILE 53 7.912 7.509 2.424
368 HD12 ILE 53 1HD1 ILE 53 7.621 8.962 1.432
369 HD13 ILE 53 2HD1 ILE 53 7.721 9.105 3.191
370 H TRP 54 H TRP 54 3.923 4.493 1.171
371 HA TRP 54 HA TRP 54 2.781 4.726 -1.423
372 HB3 TRP 54 2HB TRP 54 2.849 2.285 0.379
373 HD1 TRP 54 HD TRP 54 3.837 2.343 -3.290
374 HE1 TRP 54 1HE TRP 54 2.335 0.786 -4.591
375 HE3 TRP 54 3HE TRP 54 0.366 1.457 0.317
376 HZ2 TRP 54 2HZ TRP 54 -0.275 -0.538 -4.197
377 HZ3 TRP 54 3HZ TRP 54 -1.629 0.122 -0.153
378 HH2 TRP 54 HH TRP 54 -1.999 -0.813 -2.435
379 H PHE 55 H PHE 55 1.297 3.783 1.718
380 HA PHE 55 HA PHE 55 -1.344 3.389 0.755
381 HB3 PHE 55 2HB PHE 55 -1.896 4.246 3.194
382 HD1 PHE 55 2HD PHE 55 0.821 1.646 2.611
383 HD2 PHE 55 1HD PHE 55 -3.259 2.463 3.772
384 HE1 PHE 55 2HE PHE 55 0.417 -0.761 3.007
385 HE2 PHE 55 1HE PHE 55 -3.658 0.028 4.017
386 HZ PHE 55 HZ PHE 55 -1.786 -1.578 3.624
387 H GLN 56 H GLN 56 0.266 6.374 1.940
388 HA GLN 56 HA GLN 56 -1.914 8.099 1.802
389 HB3 GLN 56 2HB GLN 56 0.157 9.753 1.095
390 HG3 GLN 56 2HG GLN 56 0.536 8.939 3.922
391 HE21 GLN 56 1HE2 GLN 56 1.852 10.741 4.248
392 HE22 GLN 56 2HE2 GLN 56 1.373 12.379 3.869
393 H ASN 57 H ASN 57 0.290 7.106 -0.876
394 HA ASN 57 HA ASN 57 -0.897 8.983 -2.721
395 HB3 ASN 57 2HB ASN 57 0.385 7.169 -4.295
396 HD21 ASN 57 1HD2 ASN 57 3.223 7.939 -2.969
397 HD22 ASN 57 2HD2 ASN 57 3.338 9.607 -3.506
398 H ARG 58 H ARG 58 -1.326 5.479 -2.122
399 HA ARG 58 HA ARG 58 -3.294 5.033 -4.147
400 HB3 ARG 58 2HB ARG 58 -4.024 3.399 -1.938
401 HG3 ARG 58 2HG ARG 58 -2.327 1.784 -2.949
402 HD3 ARG 58 2HD ARG 58 -4.413 2.846 -4.887
403 HE ARG 58 HE ARG 58 -3.952 0.001 -4.823
404 HH11 ARG 58 1HH1 ARG 58 -2.824 2.997 -6.346
405 HH12 ARG 58 2HH1 ARG 58 -2.068 2.245 -7.685
406 HH21 ARG 58 1HH2 ARG 58 -3.032 -1.082 -6.740
407 HH22 ARG 58 2HH2 ARG 58 -2.079 -0.173 -7.818
408 H ARG 59 H ARG 59 -3.712 6.166 -0.753
409 HA ARG 59 HA ARG 59 -6.592 6.417 -1.057
410 HB3 ARG 59 2HB ARG 59 -6.294 7.969 0.985
411 HG3 ARG 59 2HG ARG 59 -6.595 5.216 0.751
412 HD3 ARG 59 2HD ARG 59 -5.475 4.646 3.071
413 HE ARG 59 HE ARG 59 -3.704 4.441 0.721
414 HH11 ARG 59 1HH1 ARG 59 -6.217 2.858 2.635
415 HH12 ARG 59 2HH1 ARG 59 -5.642 1.242 2.411
416 HH21 ARG 59 1HH2 ARG 59 -3.133 2.249 0.042
417 HH22 ARG 59 2HH2 ARG 59 -3.960 0.916 0.731
418 H ALA 60 H ALA 60 -3.850 8.695 -1.655
419 HA ALA 60 HA ALA 60 -5.422 10.952 -2.170
420 HB1 ALA 60 1HB ALA 60 -2.846 10.159 -3.601
421 HB2 ALA 60 2HB ALA 60 -3.545 11.768 -3.507
422 HB3 ALA 60 3HB ALA 60 -2.948 10.997 -2.035
423 H LYS 61 H LYS 61 -4.456 8.332 -4.481
424 HA LYS 61 HA LYS 61 -5.987 9.251 -6.701
425 HB3 LYS 61 2HB LYS 61 -5.163 6.457 -5.818
426 HG3 LYS 61 2HG LYS 61 -6.398 7.295 -8.477
427 HD3 LYS 61 2HD LYS 61 -5.086 4.702 -7.557
428 HE3 LYS 61 2HE LYS 61 -6.854 5.184 -10.005
429 HZ1 LYS 61 3HZ LYS 61 -6.782 2.820 -10.164
430 HZ2 LYS 61 1HZ LYS 61 -5.793 2.672 -8.891
431 HZ3 LYS 61 2HZ LYS 61 -5.250 3.373 -10.329
432 H TRP 62 H TRP 62 -7.056 7.127 -3.948
433 HA TRP 62 HA TRP 62 -9.645 6.729 -4.993
434 HB3 TRP 62 2HB TRP 62 -8.582 6.654 -2.181
435 HD1 TRP 62 HD TRP 62 -11.615 4.865 -3.806
436 HE1 TRP 62 1HE TRP 62 -13.582 4.960 -2.229
437 HE3 TRP 62 3HE TRP 62 -9.555 7.922 -0.329
438 HZ2 TRP 62 2HZ TRP 62 -14.189 6.264 0.366
439 HZ3 TRP 62 3HZ TRP 62 -10.857 8.636 1.688
440 HH2 TRP 62 HH TRP 62 -13.142 7.733 2.072
441 H LYS 63 H LYS 63 -8.364 9.467 -3.090
442 HA LYS 63 HA LYS 63 -10.939 10.684 -2.712
443 HB3 LYS 63 2HB LYS 63 -9.665 12.767 -2.272
444 HG3 LYS 63 2HG LYS 63 -8.184 10.634 -0.754
445 HD3 LYS 63 2HD LYS 63 -9.814 13.101 -0.084
446 HE3 LYS 63 2HE LYS 63 -8.503 11.234 1.918
447 HZ1 LYS 63 3HZ LYS 63 -8.810 13.574 2.591
448 HZ2 LYS 63 1HZ LYS 63 -9.767 12.583 3.453
449 HZ3 LYS 63 2HZ LYS 63 -10.411 13.487 2.252
450 H ARG 64 H ARG 64 -9.210 10.347 -5.701
451 HA ARG 64 HA ARG 64 -10.974 12.463 -6.832
452 HB3 ARG 64 2HB ARG 64 -9.794 11.984 -8.977
453 HG3 ARG 64 2HG ARG 64 -7.548 12.781 -8.493
454 HD3 ARG 64 2HD ARG 64 -9.182 14.515 -6.670
455 HE ARG 64 HE ARG 64 -6.996 14.827 -8.445
456 HH11 ARG 64 1HH1 ARG 64 -10.042 16.621 -7.948
457 HH12 ARG 64 2HH1 ARG 64 -9.391 18.079 -8.638
458 HH21 ARG 64 1HH2 ARG 64 -6.217 16.594 -9.268
459 HH22 ARG 64 2HH2 ARG 64 -7.083 18.077 -9.466
460 H ILE 65 H ILE 65 -10.569 9.176 -6.525
461 HA ILE 65 HA ILE 65 -12.374 8.245 -8.626
462 HB ILE 65 HB ILE 65 -11.348 6.910 -6.110
463 HG13 ILE 65 2HG1 ILE 65 -9.834 7.261 -8.114
464 HG21 ILE 65 1HG2 ILE 65 -13.163 5.609 -8.147
465 HG22 ILE 65 2HG2 ILE 65 -12.421 4.824 -6.760
466 HG23 ILE 65 3HG2 ILE 65 -13.656 6.029 -6.493
467 HD11 ILE 65 3HD1 ILE 65 -10.505 4.324 -7.634
468 HD12 ILE 65 1HD1 ILE 65 -9.111 4.957 -8.468
469 HD13 ILE 65 2HD1 ILE 65 -9.326 5.300 -6.730
470 H LYS 66 H LYS 66 -12.844 8.570 -5.104
471 HA LYS 66 HA LYS 66 -15.369 7.484 -5.103
472 HB3 LYS 66 2HB LYS 66 -14.031 7.932 -3.093
473 HG3 LYS 66 2HG LYS 66 -15.007 10.824 -3.257
474 HD3 LYS 66 2HD LYS 66 -13.196 9.496 -1.299
475 HE3 LYS 66 2HE LYS 66 -12.970 12.033 -1.803
476 HZ1 LYS 66 3HZ LYS 66 -15.492 12.272 -0.288
477 HZ2 LYS 66 1HZ LYS 66 -15.490 12.320 -1.912
478 HZ3 LYS 66 2HZ LYS 66 -14.653 13.452 -1.053
479 H ALA 67 H ALA 67 -17.018 8.042 -6.437
480 HA ALA 67 HA ALA 67 -18.948 9.025 -6.987
481 HB1 ALA 67 1HB ALA 67 -18.239 11.132 -4.941
482 HB2 ALA 67 2HB ALA 67 -19.791 10.996 -5.787
483 HB3 ALA 67 3HB ALA 67 -19.258 9.692 -4.683
484 H GLY 68 H GLY 68 -16.331 11.378 -6.795
485 HA2 GLY 68 1HA GLY 68 -17.323 13.115 -8.947
486 HA3 GLY 68 2HA GLY 68 -15.675 13.041 -8.293
487 H ASN 69 H ASN 69 -17.412 12.447 -10.947
488 HA ASN 69 HA ASN 69 -17.003 11.457 -13.012
489 HB3 ASN 69 2HB ASN 69 -14.831 9.749 -11.769
490 HD21 ASN 69 1HD2 ASN 69 -14.981 7.991 -13.181
491 HD22 ASN 69 2HD2 ASN 69 -14.615 8.182 -14.891
492 H VAL 70 H VAL 70 -18.319 10.318 -10.400
493 HA VAL 70 HA VAL 70 -19.508 8.558 -9.685
494 HB VAL 70 HB VAL 70 -21.090 9.278 -11.120
495 HG11 VAL 70 1HG1 VAL 70 -21.421 8.715 -13.487
496 HG12 VAL 70 2HG1 VAL 70 -19.982 9.694 -13.204
497 HG13 VAL 70 3HG1 VAL 70 -19.806 7.953 -13.501
498 HG21 VAL 70 3HG2 VAL 70 -21.455 6.895 -10.321
499 HG22 VAL 70 1HG2 VAL 70 -22.475 7.487 -11.650
500 HG23 VAL 70 2HG2 VAL 70 -21.118 6.386 -11.974
501 H SER 71 H SER 71 -16.763 8.125 -9.954
502 HA SER 71 HA SER 71 -16.587 5.225 -10.412
503 HB3 SER 71 2HB SER 71 -14.242 5.506 -10.128
504 HG SER 71 HG SER 71 -13.776 6.690 -11.814
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