Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
547915 | 2lj1 RC | 17913 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 H1 GLN 1 -9.152 -8.456 -8.009
2 H2 GLN 1 H2 GLN 1 -8.342 -8.828 -6.572
3 H3 GLN 1 H3 GLN 1 -9.883 -8.147 -6.513
4 HA GLN 1 HA GLN 1 -9.955 -10.495 -6.019
5 HB2 GLN 1 HB3 GLN 1 -11.179 -9.895 -8.719
6 HB3 GLN 1 HB2 GLN 1 -11.729 -11.095 -7.558
7 HG2 GLN 1 HG3 GLN 1 -11.862 -8.107 -7.329
8 HG3 GLN 1 HG2 GLN 1 -13.197 -9.255 -7.387
9 HE21 GLN 1 HE22 GLN 1 -13.698 -10.460 -5.548
10 HE22 GLN 1 HE21 GLN 1 -13.097 -10.029 -3.975
11 H THR 2 H THR 2 -9.666 -10.494 -9.570
12 HA THR 2 HA THR 2 -7.916 -12.832 -9.341
13 HB THR 2 HB THR 2 -9.311 -11.689 -11.771
14 HG1 THR 2 HG1 THR 2 -10.087 -14.161 -10.868
15 HG21 THR 2 HG21 THR 2 -8.745 -13.833 -12.828
16 HG22 THR 2 HG22 THR 2 -7.849 -14.306 -11.384
17 HG23 THR 2 HG23 THR 2 -7.296 -12.945 -12.359
18 H SER 3 H SER 3 -8.116 -9.809 -11.231
19 HA SER 3 HA SER 3 -5.499 -9.904 -12.228
20 HB2 SER 3 HB3 SER 3 -7.161 -7.446 -11.649
21 HB3 SER 3 HB2 SER 3 -5.831 -7.572 -12.802
22 HG SER 3 HG SER 3 -7.394 -8.024 -14.143
23 H GLN 4 H GLN 4 -6.797 -7.916 -9.617
24 HA GLN 4 HA GLN 4 -5.956 -7.116 -7.694
25 HB2 GLN 4 HB3 GLN 4 -4.120 -9.448 -8.072
26 HB3 GLN 4 HB2 GLN 4 -3.934 -8.353 -6.709
27 HG2 GLN 4 HG3 GLN 4 -6.257 -8.812 -6.061
28 HG3 GLN 4 HG2 GLN 4 -6.374 -9.973 -7.385
29 HE21 GLN 4 HE22 GLN 4 -5.032 -9.326 -4.254
30 HE22 GLN 4 HE21 GLN 4 -4.496 -10.935 -3.929
31 H ASP 5 H ASP 5 -5.185 -5.204 -7.658
32 HA ASP 5 HA ASP 5 -2.863 -4.458 -9.234
33 HB2 ASP 5 HB3 ASP 5 -4.544 -2.775 -7.378
34 HB3 ASP 5 HB2 ASP 5 -3.341 -2.175 -8.507
35 H LEU 6 H LEU 6 -1.715 -2.518 -7.635
36 HA LEU 6 HA LEU 6 -0.425 -4.049 -5.568
37 HB2 LEU 6 HB3 LEU 6 -0.138 -1.193 -6.493
38 HB3 LEU 6 HB2 LEU 6 0.809 -1.904 -5.205
39 HG LEU 6 HG LEU 6 0.792 -3.165 -7.915
40 HD11 LEU 6 HD11 LEU 6 3.001 -1.750 -8.087
41 HD12 LEU 6 HD12 LEU 6 2.097 -0.654 -7.030
42 HD13 LEU 6 HD13 LEU 6 1.451 -1.091 -8.611
43 HD21 LEU 6 HD21 LEU 6 2.959 -2.978 -5.835
44 HD22 LEU 6 HD22 LEU 6 2.860 -4.081 -7.210
45 HD23 LEU 6 HD23 LEU 6 1.751 -4.261 -5.848
46 H PHE 7 H PHE 7 -0.084 -2.248 -3.537
47 HA PHE 7 HA PHE 7 -2.845 -1.770 -2.637
48 HB2 PHE 7 HB3 PHE 7 -0.719 -2.756 -0.759
49 HB3 PHE 7 HB2 PHE 7 -2.453 -2.701 -0.511
50 HD1 PHE 7 HD2 PHE 7 -3.931 -4.281 -1.761
51 HD2 PHE 7 HD1 PHE 7 0.310 -4.660 -1.724
52 HE1 PHE 7 HE2 PHE 7 -4.136 -6.614 -2.513
53 HE2 PHE 7 HE1 PHE 7 0.110 -6.992 -2.479
54 HZ PHE 7 HZ PHE 7 -2.114 -7.972 -2.875
55 H SER 8 H SER 8 -2.813 -0.481 -0.564
56 HA SER 8 HA SER 8 -1.039 1.823 -1.009
57 HB2 SER 8 HB3 SER 8 -3.696 1.895 0.391
58 HB3 SER 8 HB2 SER 8 -2.787 3.241 -0.285
59 HG SER 8 HG SER 8 -3.195 2.417 -2.371
60 H TYR 9 H TYR 9 -0.082 2.809 0.760
61 HA TYR 9 HA TYR 9 -0.305 1.326 3.295
62 HB2 TYR 9 HB3 TYR 9 2.275 2.411 2.107
63 HB3 TYR 9 HB2 TYR 9 2.102 1.641 3.667
64 HD1 TYR 9 HD2 TYR 9 1.472 0.911 0.043
65 HD2 TYR 9 HD1 TYR 9 2.562 -0.557 3.869
66 HE1 TYR 9 HE2 TYR 9 1.910 -1.299 -0.946
67 HE2 TYR 9 HE1 TYR 9 3.004 -2.779 2.903
68 HH TYR 9 HH TYR 9 3.251 -3.315 -0.425
69 H GLN 10 H GLN 10 0.081 2.511 5.180
70 HA GLN 10 HA GLN 10 -0.233 5.432 4.894
71 HB2 GLN 10 HB3 GLN 10 -2.097 4.543 6.077
72 HB3 GLN 10 HB2 GLN 10 -1.083 3.488 7.046
73 HG2 GLN 10 HG3 GLN 10 -0.229 5.352 8.290
74 HG3 GLN 10 HG2 GLN 10 -1.065 6.500 7.243
75 HE21 GLN 10 HE22 GLN 10 -1.238 6.008 10.156
76 HE22 GLN 10 HE21 GLN 10 -2.918 5.725 10.470
77 H ALA 11 H ALA 11 1.335 6.705 5.645
78 HA ALA 11 HA ALA 11 3.830 5.430 6.258
79 HB1 ALA 11 HB1 ALA 11 4.824 7.422 5.696
80 HB2 ALA 11 HB2 ALA 11 3.464 8.383 6.272
81 HB3 ALA 11 HB3 ALA 11 3.334 7.488 4.757
82 H LEU 12 H LEU 12 5.022 5.525 8.058
83 HA LEU 12 HA LEU 12 3.670 5.663 10.532
84 HB2 LEU 12 HB3 LEU 12 6.644 5.656 10.040
85 HB3 LEU 12 HB2 LEU 12 5.818 5.134 11.496
86 HG LEU 12 HG LEU 12 5.364 3.767 8.855
87 HD11 LEU 12 HD11 LEU 12 7.476 3.167 10.917
88 HD12 LEU 12 HD12 LEU 12 7.729 3.689 9.248
89 HD13 LEU 12 HD13 LEU 12 7.028 2.104 9.581
90 HD21 LEU 12 HD21 LEU 12 5.008 2.924 11.729
91 HD22 LEU 12 HD22 LEU 12 4.755 1.886 10.324
92 HD23 LEU 12 HD23 LEU 12 3.732 3.299 10.571
93 H TYR 13 H TYR 13 5.965 7.807 8.911
94 HA TYR 13 HA TYR 13 4.985 10.031 10.443
95 HB2 TYR 13 HB3 TYR 13 7.179 10.794 11.230
96 HB3 TYR 13 HB2 TYR 13 6.719 9.268 11.958
97 HD1 TYR 13 HD1 TYR 13 7.820 7.145 11.097
98 HD2 TYR 13 HD2 TYR 13 9.196 11.034 10.074
99 HE1 TYR 13 HE1 TYR 13 10.010 6.204 10.478
100 HE2 TYR 13 HE2 TYR 13 11.380 10.109 9.440
101 HH TYR 13 HH TYR 13 12.755 8.161 9.930
102 H SER 14 H SER 14 6.536 12.027 9.751
103 HA SER 14 HA SER 14 6.093 12.132 6.901
104 HB2 SER 14 HB3 SER 14 6.678 14.560 7.224
105 HB3 SER 14 HB2 SER 14 5.316 13.986 8.171
106 HG SER 14 HG SER 14 6.346 14.516 9.896
107 H TYR 15 H TYR 15 7.620 12.827 5.357
108 HA TYR 15 HA TYR 15 10.431 12.299 6.040
109 HB2 TYR 15 HB3 TYR 15 9.281 10.246 5.099
110 HB3 TYR 15 HB2 TYR 15 9.017 11.160 3.627
111 HD1 TYR 15 HD2 TYR 15 11.706 9.824 5.810
112 HD2 TYR 15 HD1 TYR 15 10.637 11.283 1.965
113 HE1 TYR 15 HE2 TYR 15 13.875 9.075 4.929
114 HE2 TYR 15 HE1 TYR 15 12.800 10.529 1.068
115 HH TYR 15 HH TYR 15 14.814 9.709 1.558
116 H ILE 16 H ILE 16 11.847 13.596 4.971
117 HA ILE 16 HA ILE 16 10.707 15.510 3.052
118 HB ILE 16 HB ILE 16 13.217 15.765 4.722
119 HG12 ILE 16 HG13 ILE 16 11.166 15.899 6.064
120 HG13 ILE 16 HG12 ILE 16 11.972 17.454 5.963
121 HG21 ILE 16 HG21 ILE 16 11.887 17.947 3.151
122 HG22 ILE 16 HG22 ILE 16 13.116 16.910 2.443
123 HG23 ILE 16 HG23 ILE 16 13.513 17.918 3.838
124 HD11 ILE 16 HD11 ILE 16 10.363 18.368 4.618
125 HD12 ILE 16 HD12 ILE 16 9.415 17.328 5.683
126 HD13 ILE 16 HD13 ILE 16 9.826 16.794 4.053
127 HA PRO 17 HA PRO 17 12.957 13.354 -0.113
128 HB2 PRO 17 HB2 PRO 17 12.791 15.936 -1.539
129 HB3 PRO 17 HB3 PRO 17 12.207 14.345 -2.027
130 HG2 PRO 17 HG3 PRO 17 10.542 16.299 -1.245
131 HG3 PRO 17 HG2 PRO 17 10.212 14.588 -0.915
132 HD2 PRO 17 HD3 PRO 17 11.181 16.721 0.928
133 HD3 PRO 17 HD2 PRO 17 10.133 15.343 1.260
134 H GLN 18 H GLN 18 15.071 13.087 -0.355
135 HA GLN 18 HA GLN 18 16.889 15.338 0.171
136 HB2 GLN 18 HB3 GLN 18 17.502 12.388 -0.028
137 HB3 GLN 18 HB2 GLN 18 18.595 13.647 0.535
138 HG2 GLN 18 HG3 GLN 18 17.103 14.051 2.443
139 HG3 GLN 18 HG2 GLN 18 16.067 12.738 1.890
140 HE21 GLN 18 HE22 GLN 18 16.808 10.617 2.042
141 HE22 GLN 18 HE21 GLN 18 18.131 10.180 3.062
142 H ASN 19 H ASN 19 15.854 12.963 -2.081
143 HA ASN 19 HA ASN 19 17.589 14.067 -4.196
144 HB2 ASN 19 HB3 ASN 19 16.165 11.399 -3.977
145 HB3 ASN 19 HB2 ASN 19 17.090 11.925 -5.379
146 HD21 ASN 19 HD22 ASN 19 17.240 10.978 -2.028
147 HD22 ASN 19 HD21 ASN 19 18.937 10.597 -2.003
148 H ASP 20 H ASP 20 16.598 14.476 -6.239
149 HA ASP 20 HA ASP 20 14.008 15.652 -5.963
150 HB2 ASP 20 HB3 ASP 20 15.850 15.343 -8.335
151 HB3 ASP 20 HB2 ASP 20 14.306 16.190 -8.409
152 H ASP 21 H ASP 21 14.875 12.543 -6.406
153 HA ASP 21 HA ASP 21 12.604 11.857 -8.115
154 HB2 ASP 21 HB3 ASP 21 14.896 10.238 -7.006
155 HB3 ASP 21 HB2 ASP 21 13.509 9.490 -7.793
156 H GLU 22 H GLU 22 13.375 12.249 -4.861
157 HA GLU 22 HA GLU 22 11.669 10.137 -3.857
158 HB2 GLU 22 HB3 GLU 22 13.421 12.213 -2.611
159 HB3 GLU 22 HB2 GLU 22 12.194 11.418 -1.634
160 HG2 GLU 22 HG3 GLU 22 13.173 9.292 -1.978
161 HG3 GLU 22 HG2 GLU 22 14.260 9.913 -3.220
162 H LEU 23 H LEU 23 10.141 10.779 -2.043
163 HA LEU 23 HA LEU 23 8.302 12.785 -3.168
164 HB2 LEU 23 HB3 LEU 23 7.658 10.360 -3.214
165 HB3 LEU 23 HB2 LEU 23 7.669 10.385 -1.464
166 HG LEU 23 HG LEU 23 5.809 11.906 -1.409
167 HD11 LEU 23 HD11 LEU 23 4.726 12.696 -3.456
168 HD12 LEU 23 HD12 LEU 23 5.981 11.927 -4.415
169 HD13 LEU 23 HD13 LEU 23 6.388 13.276 -3.358
170 HD21 LEU 23 HD21 LEU 23 4.163 10.503 -2.734
171 HD22 LEU 23 HD22 LEU 23 5.165 9.659 -1.545
172 HD23 LEU 23 HD23 LEU 23 5.576 9.585 -3.257
173 H GLU 24 H GLU 24 7.464 14.352 -1.831
174 HA GLU 24 HA GLU 24 8.540 14.598 0.827
175 HB2 GLU 24 HB3 GLU 24 7.772 16.503 -0.822
176 HB3 GLU 24 HB2 GLU 24 6.189 16.203 -0.112
177 HG2 GLU 24 HG3 GLU 24 7.580 16.390 2.134
178 HG3 GLU 24 HG2 GLU 24 8.632 17.347 1.100
179 H LEU 25 H LEU 25 7.753 13.575 2.500
180 HA LEU 25 HA LEU 25 5.118 12.286 2.256
181 HB2 LEU 25 HB3 LEU 25 7.390 11.009 2.331
182 HB3 LEU 25 HB2 LEU 25 7.344 11.389 4.036
183 HG LEU 25 HG LEU 25 6.554 9.118 3.536
184 HD11 LEU 25 HD11 LEU 25 4.250 10.737 4.527
185 HD12 LEU 25 HD12 LEU 25 5.755 10.617 5.432
186 HD13 LEU 25 HD13 LEU 25 4.827 9.161 5.076
187 HD21 LEU 25 HD21 LEU 25 4.263 8.918 2.543
188 HD22 LEU 25 HD22 LEU 25 5.529 9.378 1.404
189 HD23 LEU 25 HD23 LEU 25 4.418 10.598 2.021
190 H ARG 26 H ARG 26 3.634 12.626 3.837
191 HA ARG 26 HA ARG 26 4.534 14.119 6.207
192 HB2 ARG 26 HB3 ARG 26 1.888 14.266 4.766
193 HB3 ARG 26 HB2 ARG 26 2.190 14.999 6.333
194 HG2 ARG 26 HG3 ARG 26 3.637 15.636 3.772
195 HG3 ARG 26 HG2 ARG 26 2.426 16.644 4.571
196 HD2 ARG 26 HD3 ARG 26 3.827 16.991 6.441
197 HD3 ARG 26 HD2 ARG 26 4.964 15.759 5.911
198 HE ARG 26 HE ARG 26 4.933 17.641 3.901
199 HH11 ARG 26 HH11 ARG 26 5.629 17.608 7.336
200 HH12 ARG 26 HH12 ARG 26 6.826 18.863 7.227
201 HH21 ARG 26 HH22 ARG 26 6.478 19.303 3.761
202 HH22 ARG 26 HH21 ARG 26 7.299 19.843 5.200
203 H ASP 27 H ASP 27 3.711 13.548 8.195
204 HA ASP 27 HA ASP 27 3.562 10.852 8.743
205 HB2 ASP 27 HB3 ASP 27 2.068 12.777 10.489
206 HB3 ASP 27 HB2 ASP 27 3.053 11.403 10.956
207 H GLY 28 H GLY 28 2.121 9.336 8.483
208 HA2 GLY 28 HA3 GLY 28 0.122 8.234 8.288
209 HA3 GLY 28 HA2 GLY 28 -0.692 9.689 8.829
210 H ASP 29 H ASP 29 1.432 9.651 6.072
211 HA ASP 29 HA ASP 29 -0.790 10.334 4.325
212 HB2 ASP 29 HB3 ASP 29 1.375 11.574 4.223
213 HB3 ASP 29 HB2 ASP 29 2.153 10.090 3.673
214 H ILE 30 H ILE 30 -1.258 9.159 2.377
215 HA ILE 30 HA ILE 30 -0.650 6.306 2.693
216 HB ILE 30 HB ILE 30 -2.854 7.664 1.117
217 HG12 ILE 30 HG13 ILE 30 -4.318 6.371 2.708
218 HG13 ILE 30 HG12 ILE 30 -2.876 5.983 3.628
219 HG21 ILE 30 HG21 ILE 30 -2.346 4.709 1.461
220 HG22 ILE 30 HG22 ILE 30 -2.028 5.624 -0.008
221 HG23 ILE 30 HG23 ILE 30 -3.682 5.449 0.579
222 HD11 ILE 30 HD11 ILE 30 -4.215 7.839 4.560
223 HD12 ILE 30 HD12 ILE 30 -3.847 8.778 3.111
224 HD13 ILE 30 HD13 ILE 30 -2.545 8.267 4.190
225 H VAL 31 H VAL 31 0.337 5.169 1.076
226 HA VAL 31 HA VAL 31 1.126 6.707 -1.300
227 HB VAL 31 HB VAL 31 3.047 6.591 0.166
228 HG11 VAL 31 HG11 VAL 31 2.712 3.596 0.068
229 HG12 VAL 31 HG12 VAL 31 2.453 4.629 1.473
230 HG13 VAL 31 HG13 VAL 31 4.072 4.455 0.793
231 HG21 VAL 31 HG21 VAL 31 3.477 6.485 -2.209
232 HG22 VAL 31 HG22 VAL 31 3.303 4.729 -2.185
233 HG23 VAL 31 HG23 VAL 31 4.648 5.493 -1.340
234 H ASP 32 H ASP 32 1.118 5.710 -3.183
235 HA ASP 32 HA ASP 32 0.527 2.833 -3.298
236 HB2 ASP 32 HB3 ASP 32 -0.703 5.095 -4.856
237 HB3 ASP 32 HB2 ASP 32 -0.657 3.465 -5.519
238 H VAL 33 H VAL 33 1.919 1.712 -4.506
239 HA VAL 33 HA VAL 33 4.240 3.126 -5.376
240 HB VAL 33 HB VAL 33 5.089 1.305 -4.482
241 HG11 VAL 33 HG11 VAL 33 2.437 0.069 -4.947
242 HG12 VAL 33 HG12 VAL 33 3.329 0.372 -3.451
243 HG13 VAL 33 HG13 VAL 33 3.818 -0.945 -4.517
244 HG21 VAL 33 HG21 VAL 33 4.367 0.222 -7.187
245 HG22 VAL 33 HG22 VAL 33 5.363 -0.668 -6.035
246 HG23 VAL 33 HG23 VAL 33 5.904 0.896 -6.640
247 H MET 34 H MET 34 4.800 3.765 -7.198
248 HA MET 34 HA MET 34 3.211 3.311 -9.554
249 HB2 MET 34 HB3 MET 34 5.727 4.925 -9.071
250 HB3 MET 34 HB2 MET 34 4.885 4.851 -10.616
251 HG2 MET 34 HG3 MET 34 3.674 5.829 -8.043
252 HG3 MET 34 HG2 MET 34 4.350 6.865 -9.301
253 HE1 MET 34 HE1 MET 34 1.948 6.170 -12.304
254 HE2 MET 34 HE2 MET 34 3.449 5.321 -11.942
255 HE3 MET 34 HE3 MET 34 3.352 7.069 -11.737
256 H GLU 35 H GLU 35 6.419 2.451 -8.343
257 HA GLU 35 HA GLU 35 6.375 0.072 -9.976
258 HB2 GLU 35 HB3 GLU 35 7.331 1.775 -11.528
259 HB3 GLU 35 HB2 GLU 35 8.645 2.020 -10.383
260 HG2 GLU 35 HG3 GLU 35 9.292 -0.320 -10.624
261 HG3 GLU 35 HG2 GLU 35 7.980 -0.567 -11.771
262 H LYS 36 H LYS 36 7.610 -1.536 -9.143
263 HA LYS 36 HA LYS 36 8.712 -1.025 -6.511
264 HB2 LYS 36 HB3 LYS 36 8.754 -3.751 -7.683
265 HB3 LYS 36 HB2 LYS 36 8.325 -3.232 -6.059
266 HG2 LYS 36 HG3 LYS 36 6.289 -3.871 -6.798
267 HG3 LYS 36 HG2 LYS 36 6.253 -2.201 -7.343
268 HD2 LYS 36 HD3 LYS 36 6.928 -2.882 -9.571
269 HD3 LYS 36 HD2 LYS 36 7.095 -4.555 -9.035
270 HE2 LYS 36 HE3 LYS 36 4.688 -4.569 -8.477
271 HE3 LYS 36 HE2 LYS 36 4.551 -2.941 -9.133
272 HZ1 LYS 36 HZ1 LYS 36 3.862 -4.587 -10.752
273 HZ2 LYS 36 HZ2 LYS 36 5.365 -5.369 -10.644
274 HZ3 LYS 36 HZ3 LYS 36 5.269 -3.802 -11.289
275 H CYS 37 H CYS 37 10.820 -0.822 -6.128
276 HA CYS 37 HA CYS 37 12.735 -1.670 -8.169
277 HB2 CYS 37 HB3 CYS 37 13.227 -0.181 -5.567
278 HB3 CYS 37 HB2 CYS 37 14.388 -0.434 -6.874
279 HG CYS 37 HG CYS 37 12.406 0.972 -8.656
280 H ASP 38 H ASP 38 14.050 -3.375 -7.907
281 HA ASP 38 HA ASP 38 13.185 -5.371 -6.076
282 HB2 ASP 38 HB3 ASP 38 15.543 -5.348 -7.957
283 HB3 ASP 38 HB2 ASP 38 14.925 -6.769 -7.126
284 H ASP 39 H ASP 39 15.463 -2.874 -5.828
285 HA ASP 39 HA ASP 39 17.188 -4.193 -3.951
286 HB2 ASP 39 HB3 ASP 39 17.860 -2.228 -5.404
287 HB3 ASP 39 HB2 ASP 39 16.919 -1.212 -4.316
288 H GLY 40 H GLY 40 14.081 -2.769 -3.733
289 HA2 GLY 40 HA3 GLY 40 13.157 -3.739 -1.570
290 HA3 GLY 40 HA2 GLY 40 14.389 -2.763 -0.799
291 H TRP 41 H TRP 41 13.513 -0.688 -3.139
292 HA TRP 41 HA TRP 41 11.368 0.349 -1.413
293 HB2 TRP 41 HB3 TRP 41 12.121 2.633 -2.145
294 HB3 TRP 41 HB2 TRP 41 13.251 1.766 -1.114
295 HD1 TRP 41 HD1 TRP 41 12.761 2.344 -4.917
296 HE1 TRP 41 HE1 TRP 41 15.088 2.630 -5.981
297 HE3 TRP 41 HE3 TRP 41 15.623 1.588 -0.762
298 HZ2 TRP 41 HZ2 TRP 41 17.789 2.541 -5.150
299 HZ3 TRP 41 HZ3 TRP 41 18.069 1.709 -0.977
300 HH2 TRP 41 HH2 TRP 41 19.126 2.175 -3.124
301 H PHE 42 H PHE 42 9.861 1.874 -2.541
302 HA PHE 42 HA PHE 42 9.452 1.016 -5.326
303 HB2 PHE 42 HB3 PHE 42 7.138 1.649 -3.482
304 HB3 PHE 42 HB2 PHE 42 7.125 0.773 -4.995
305 HD1 PHE 42 HD1 PHE 42 8.920 -1.346 -4.821
306 HD2 PHE 42 HD2 PHE 42 6.595 0.347 -1.693
307 HE1 PHE 42 HE1 PHE 42 9.004 -3.483 -3.611
308 HE2 PHE 42 HE2 PHE 42 6.684 -1.785 -0.469
309 HZ PHE 42 HZ PHE 42 7.890 -3.704 -1.428
310 H VAL 43 H VAL 43 8.135 2.570 -6.586
311 HA VAL 43 HA VAL 43 8.566 5.343 -5.760
312 HB VAL 43 HB VAL 43 6.948 4.593 -8.160
313 HG11 VAL 43 HG11 VAL 43 8.837 6.839 -7.520
314 HG12 VAL 43 HG12 VAL 43 7.088 6.907 -7.748
315 HG13 VAL 43 HG13 VAL 43 8.144 6.578 -9.121
316 HG21 VAL 43 HG21 VAL 43 9.227 4.617 -9.423
317 HG22 VAL 43 HG22 VAL 43 8.666 3.137 -8.640
318 HG23 VAL 43 HG23 VAL 43 9.867 4.145 -7.852
319 H GLY 44 H GLY 44 6.640 6.778 -5.658
320 HA2 GLY 44 HA3 GLY 44 4.106 5.411 -5.247
321 HA3 GLY 44 HA2 GLY 44 4.870 6.004 -3.781
322 H THR 45 H THR 45 2.342 6.774 -4.936
323 HA THR 45 HA THR 45 2.929 9.595 -5.520
324 HB THR 45 HB THR 45 0.288 8.181 -5.975
325 HG1 THR 45 HG1 THR 45 1.057 7.449 -7.821
326 HG21 THR 45 HG21 THR 45 1.421 10.663 -7.264
327 HG22 THR 45 HG22 THR 45 0.355 10.690 -5.859
328 HG23 THR 45 HG23 THR 45 -0.222 10.039 -7.392
329 H SER 46 H SER 46 2.368 11.087 -4.055
330 HA SER 46 HA SER 46 1.306 10.254 -1.509
331 HB2 SER 46 HB3 SER 46 3.095 11.887 -1.560
332 HB3 SER 46 HB2 SER 46 2.138 12.965 -2.575
333 HG SER 46 HG SER 46 1.656 12.226 0.139
334 H ARG 47 H ARG 47 -0.648 10.677 -0.636
335 HA ARG 47 HA ARG 47 -2.837 11.184 -2.344
336 HB2 ARG 47 HB3 ARG 47 -2.425 10.615 0.534
337 HB3 ARG 47 HB2 ARG 47 -3.962 11.334 0.066
338 HG2 ARG 47 HG3 ARG 47 -4.008 8.871 0.170
339 HG3 ARG 47 HG2 ARG 47 -4.422 9.525 -1.412
340 HD2 ARG 47 HD3 ARG 47 -1.798 9.189 -1.759
341 HD3 ARG 47 HD2 ARG 47 -2.094 7.922 -0.574
342 HE ARG 47 HE ARG 47 -3.500 6.827 -2.107
343 HH11 ARG 47 HH11 ARG 47 -1.988 9.684 -3.440
344 HH12 ARG 47 HH12 ARG 47 -2.420 9.317 -5.082
345 HH21 ARG 47 HH22 ARG 47 -4.070 6.317 -4.259
346 HH22 ARG 47 HH21 ARG 47 -3.604 7.387 -5.554
347 H ARG 48 H ARG 48 -0.721 13.295 -0.866
348 HA ARG 48 HA ARG 48 -2.548 15.323 -0.050
349 HB2 ARG 48 HB3 ARG 48 0.409 15.351 -0.602
350 HB3 ARG 48 HB2 ARG 48 -0.472 16.740 0.020
351 HG2 ARG 48 HG3 ARG 48 -1.099 15.425 1.999
352 HG3 ARG 48 HG2 ARG 48 -0.160 14.066 1.369
353 HD2 ARG 48 HD3 ARG 48 1.083 15.389 3.034
354 HD3 ARG 48 HD2 ARG 48 1.865 15.371 1.454
355 HE ARG 48 HE ARG 48 0.130 17.630 2.146
356 HH11 ARG 48 HH11 ARG 48 3.333 16.370 1.543
357 HH12 ARG 48 HH12 ARG 48 4.066 17.935 1.375
358 HH21 ARG 48 HH22 ARG 48 1.072 19.698 1.890
359 HH22 ARG 48 HH21 ARG 48 2.768 19.828 1.517
360 H THR 49 H THR 49 0.045 15.999 -2.275
361 HA THR 49 HA THR 49 -1.792 17.612 -3.874
362 HB THR 49 HB THR 49 0.026 18.878 -3.009
363 HG1 THR 49 HG1 THR 49 1.186 18.477 -5.514
364 HG21 THR 49 HG21 THR 49 1.965 16.925 -4.210
365 HG22 THR 49 HG22 THR 49 1.431 16.864 -2.529
366 HG23 THR 49 HG23 THR 49 2.313 18.274 -3.127
367 H LYS 50 H LYS 50 -1.095 14.598 -3.980
368 HA LYS 50 HA LYS 50 -1.167 12.976 -5.554
369 HB2 LYS 50 HB3 LYS 50 -1.880 15.186 -7.484
370 HB3 LYS 50 HB2 LYS 50 -2.234 13.474 -7.660
371 HG2 LYS 50 HG3 LYS 50 -3.394 15.307 -5.567
372 HG3 LYS 50 HG2 LYS 50 -4.216 14.721 -7.009
373 HD2 LYS 50 HD3 LYS 50 -4.013 12.437 -6.192
374 HD3 LYS 50 HD2 LYS 50 -3.174 13.018 -4.752
375 HE2 LYS 50 HE3 LYS 50 -5.987 13.744 -5.564
376 HE3 LYS 50 HE2 LYS 50 -5.552 12.564 -4.334
377 HZ1 LYS 50 HZ1 LYS 50 -4.442 14.386 -3.104
378 HZ2 LYS 50 HZ2 LYS 50 -6.111 14.610 -3.273
379 HZ3 LYS 50 HZ3 LYS 50 -5.039 15.493 -4.243
380 H GLN 51 H GLN 51 1.338 14.319 -5.053
381 HA GLN 51 HA GLN 51 2.698 14.244 -7.623
382 HB2 GLN 51 HB3 GLN 51 4.718 14.869 -6.256
383 HB3 GLN 51 HB2 GLN 51 3.409 16.040 -6.225
384 HG2 GLN 51 HG3 GLN 51 2.698 15.184 -4.048
385 HG3 GLN 51 HG2 GLN 51 4.018 14.016 -4.084
386 HE21 GLN 51 HE22 GLN 51 4.848 14.888 -2.154
387 HE22 GLN 51 HE21 GLN 51 5.689 16.399 -2.134
388 H PHE 52 H PHE 52 4.565 12.876 -7.944
389 HA PHE 52 HA PHE 52 4.316 10.381 -6.426
390 HB2 PHE 52 HB3 PHE 52 4.448 9.085 -8.332
391 HB3 PHE 52 HB2 PHE 52 3.440 10.420 -8.853
392 HD1 PHE 52 HD1 PHE 52 6.691 8.851 -9.077
393 HD2 PHE 52 HD2 PHE 52 4.205 11.957 -10.550
394 HE1 PHE 52 HE1 PHE 52 8.233 9.168 -10.981
395 HE2 PHE 52 HE2 PHE 52 5.736 12.297 -12.451
396 HZ PHE 52 HZ PHE 52 7.753 10.899 -12.667
397 H GLY 53 H GLY 53 5.979 9.825 -5.356
398 HA2 GLY 53 HA3 GLY 53 8.678 10.499 -6.330
399 HA3 GLY 53 HA2 GLY 53 8.210 10.880 -4.676
400 H THR 54 H THR 54 10.358 9.118 -5.430
401 HA THR 54 HA THR 54 9.248 6.494 -4.699
402 HB THR 54 HB THR 54 10.631 6.498 -6.694
403 HG1 THR 54 HG1 THR 54 10.787 4.783 -4.889
404 HG21 THR 54 HG21 THR 54 13.128 6.892 -6.404
405 HG22 THR 54 HG22 THR 54 12.737 7.686 -4.875
406 HG23 THR 54 HG23 THR 54 12.105 8.330 -6.397
407 H PHE 55 H PHE 55 9.922 5.390 -2.888
408 HA PHE 55 HA PHE 55 12.132 6.187 -1.293
409 HB2 PHE 55 HB3 PHE 55 10.905 6.855 0.732
410 HB3 PHE 55 HB2 PHE 55 10.633 7.977 -0.587
411 HD1 PHE 55 HD1 PHE 55 8.429 8.038 -1.726
412 HD2 PHE 55 HD2 PHE 55 9.142 5.597 1.694
413 HE1 PHE 55 HE1 PHE 55 6.008 7.812 -1.379
414 HE2 PHE 55 HE2 PHE 55 6.718 5.365 2.036
415 HZ PHE 55 HZ PHE 55 5.149 6.471 0.496
416 HA PRO 56 HA PRO 56 12.031 2.084 0.262
417 HB2 PRO 56 HB2 PRO 56 11.650 3.085 3.045
418 HB3 PRO 56 HB3 PRO 56 12.870 1.982 2.400
419 HG2 PRO 56 HG3 PRO 56 13.482 4.507 2.974
420 HG3 PRO 56 HG2 PRO 56 14.164 3.702 1.546
421 HD2 PRO 56 HD3 PRO 56 11.984 5.736 1.725
422 HD3 PRO 56 HD2 PRO 56 13.225 5.515 0.477
423 H GLY 57 H GLY 57 10.501 0.570 0.323
424 HA2 GLY 57 HA3 GLY 57 7.765 1.364 0.897
425 HA3 GLY 57 HA2 GLY 57 8.280 -0.153 0.177
426 H ASN 58 H ASN 58 10.325 0.001 2.578
427 HA ASN 58 HA ASN 58 8.553 -1.400 4.450
428 HB2 ASN 58 HB3 ASN 58 10.665 -2.518 3.626
429 HB3 ASN 58 HB2 ASN 58 11.578 -1.281 4.481
430 HD21 ASN 58 HD22 ASN 58 12.560 -2.886 5.743
431 HD22 ASN 58 HD21 ASN 58 11.711 -3.642 7.053
432 H TYR 59 H TYR 59 9.154 1.578 3.908
433 HA TYR 59 HA TYR 59 9.893 2.409 6.624
434 HB2 TYR 59 HB3 TYR 59 11.211 3.635 5.141
435 HB3 TYR 59 HB2 TYR 59 9.955 3.691 3.911
436 HD1 TYR 59 HD1 TYR 59 8.240 5.365 3.969
437 HD2 TYR 59 HD2 TYR 59 11.267 5.274 6.948
438 HE1 TYR 59 HE1 TYR 59 7.611 7.649 4.665
439 HE2 TYR 59 HE2 TYR 59 10.652 7.546 7.659
440 HH TYR 59 HH TYR 59 9.532 9.534 6.744
441 H VAL 60 H VAL 60 7.353 1.741 4.650
442 HA VAL 60 HA VAL 60 5.496 3.455 6.143
443 HB VAL 60 HB VAL 60 5.715 4.047 3.728
444 HG11 VAL 60 HG11 VAL 60 4.597 2.454 2.104
445 HG12 VAL 60 HG12 VAL 60 4.837 1.222 3.345
446 HG13 VAL 60 HG13 VAL 60 6.225 2.051 2.647
447 HG21 VAL 60 HG21 VAL 60 3.275 3.961 3.209
448 HG22 VAL 60 HG22 VAL 60 3.698 4.647 4.778
449 HG23 VAL 60 HG23 VAL 60 3.085 3.002 4.677
450 H LYS 61 H LYS 61 3.347 2.404 6.502
451 HA LYS 61 HA LYS 61 3.620 -0.528 6.613
452 HB2 LYS 61 HB3 LYS 61 2.594 -0.582 8.754
453 HB3 LYS 61 HB2 LYS 61 3.846 0.647 8.837
454 HG2 LYS 61 HG3 LYS 61 2.226 2.399 8.687
455 HG3 LYS 61 HG2 LYS 61 0.938 1.232 8.380
456 HD2 LYS 61 HD3 LYS 61 2.595 1.311 10.885
457 HD3 LYS 61 HD2 LYS 61 1.002 2.047 10.730
458 HE2 LYS 61 HE3 LYS 61 -0.043 -0.041 10.477
459 HE3 LYS 61 HE2 LYS 61 1.486 -0.848 10.130
460 HZ1 LYS 61 HZ1 LYS 61 2.159 -0.591 12.386
461 HZ2 LYS 61 HZ2 LYS 61 0.611 -1.282 12.388
462 HZ3 LYS 61 HZ3 LYS 61 0.808 0.360 12.758
463 HA PRO 62 HA PRO 62 -0.310 -1.124 4.638
464 HB2 PRO 62 HB2 PRO 62 -1.606 -2.646 6.583
465 HB3 PRO 62 HB3 PRO 62 -0.545 -3.288 5.323
466 HG2 PRO 62 HG3 PRO 62 0.095 -2.592 8.163
467 HG3 PRO 62 HG2 PRO 62 0.617 -3.997 7.218
468 HD2 PRO 62 HD3 PRO 62 2.280 -1.994 7.624
469 HD3 PRO 62 HD2 PRO 62 2.183 -2.741 6.012
470 H LEU 63 H LEU 63 -2.219 -0.080 4.548
471 HA LEU 63 HA LEU 63 -2.799 2.132 6.018
472 HB2 LEU 63 HB3 LEU 63 -4.662 0.295 4.538
473 HB3 LEU 63 HB2 LEU 63 -5.168 1.838 5.203
474 HG LEU 63 HG LEU 63 -3.018 1.446 3.122
475 HD11 LEU 63 HD11 LEU 63 -5.252 0.977 2.250
476 HD12 LEU 63 HD12 LEU 63 -4.633 2.497 1.601
477 HD13 LEU 63 HD13 LEU 63 -5.837 2.512 2.891
478 HD21 LEU 63 HD21 LEU 63 -4.219 3.937 4.314
479 HD22 LEU 63 HD22 LEU 63 -3.131 3.892 2.923
480 HD23 LEU 63 HD23 LEU 63 -2.566 3.352 4.505
481 H TYR 64 H TYR 64 -3.625 2.604 7.898
482 HA TYR 64 HA TYR 64 -3.886 0.614 9.884
483 HB2 TYR 64 HB3 TYR 64 -3.309 3.244 9.908
484 HB3 TYR 64 HB2 TYR 64 -5.005 3.316 10.371
485 HD1 TYR 64 HD1 TYR 64 -1.769 1.757 11.264
486 HD2 TYR 64 HD2 TYR 64 -5.649 2.883 12.589
487 HE1 TYR 64 HE1 TYR 64 -1.126 1.225 13.579
488 HE2 TYR 64 HE2 TYR 64 -5.018 2.353 14.905
489 HH TYR 64 HH TYR 64 -3.416 1.013 16.113
Start of MODEL 2
1 H1 GLN 1 H1 GLN 1 3.688 -4.889 -14.195
2 H2 GLN 1 H2 GLN 1 2.970 -5.971 -15.286
3 H3 GLN 1 H3 GLN 1 4.660 -5.856 -15.193
4 HA GLN 1 HA GLN 1 3.717 -7.842 -14.083
5 HB2 GLN 1 HB3 GLN 1 5.927 -6.823 -13.475
6 HB3 GLN 1 HB2 GLN 1 5.109 -5.887 -12.233
7 HG2 GLN 1 HG3 GLN 1 4.419 -7.979 -11.140
8 HG3 GLN 1 HG2 GLN 1 5.308 -8.889 -12.359
9 HE21 GLN 1 HE22 GLN 1 7.484 -6.945 -12.478
10 HE22 GLN 1 HE21 GLN 1 8.403 -7.164 -11.026
11 H THR 2 H THR 2 1.358 -7.428 -14.085
12 HA THR 2 HA THR 2 0.427 -6.472 -11.464
13 HB THR 2 HB THR 2 -1.149 -5.916 -13.964
14 HG1 THR 2 HG1 THR 2 -0.113 -3.799 -13.913
15 HG21 THR 2 HG21 THR 2 -0.961 -4.435 -11.338
16 HG22 THR 2 HG22 THR 2 -2.152 -5.688 -11.680
17 HG23 THR 2 HG23 THR 2 -2.150 -4.194 -12.615
18 H SER 3 H SER 3 0.890 -9.185 -12.517
19 HA SER 3 HA SER 3 -1.666 -10.377 -12.973
20 HB2 SER 3 HB3 SER 3 0.914 -11.636 -11.996
21 HB3 SER 3 HB2 SER 3 -0.498 -12.514 -12.586
22 HG SER 3 HG SER 3 0.636 -10.538 -14.223
23 H GLN 4 H GLN 4 -0.050 -9.168 -10.278
24 HA GLN 4 HA GLN 4 -2.190 -10.131 -8.532
25 HB2 GLN 4 HB3 GLN 4 -0.749 -10.599 -6.751
26 HB3 GLN 4 HB2 GLN 4 0.092 -11.270 -8.142
27 HG2 GLN 4 HG3 GLN 4 0.623 -8.568 -6.980
28 HG3 GLN 4 HG2 GLN 4 1.536 -10.013 -6.556
29 HE21 GLN 4 HE22 GLN 4 2.395 -7.494 -7.797
30 HE22 GLN 4 HE21 GLN 4 3.135 -7.927 -9.296
31 H ASP 5 H ASP 5 -3.077 -8.540 -7.238
32 HA ASP 5 HA ASP 5 -2.300 -5.839 -7.953
33 HB2 ASP 5 HB3 ASP 5 -4.724 -6.743 -7.711
34 HB3 ASP 5 HB2 ASP 5 -4.448 -6.507 -5.989
35 H LEU 6 H LEU 6 -1.588 -4.293 -6.530
36 HA LEU 6 HA LEU 6 -0.121 -5.365 -4.276
37 HB2 LEU 6 HB3 LEU 6 -0.013 -2.714 -5.693
38 HB3 LEU 6 HB2 LEU 6 0.996 -3.157 -4.334
39 HG LEU 6 HG LEU 6 0.986 -4.799 -6.833
40 HD11 LEU 6 HD11 LEU 6 3.190 -3.326 -7.129
41 HD12 LEU 6 HD12 LEU 6 2.154 -2.146 -6.314
42 HD13 LEU 6 HD13 LEU 6 1.636 -2.871 -7.833
43 HD21 LEU 6 HD21 LEU 6 3.172 -4.293 -4.832
44 HD22 LEU 6 HD22 LEU 6 3.079 -5.576 -6.039
45 HD23 LEU 6 HD23 LEU 6 1.992 -5.589 -4.644
46 H PHE 7 H PHE 7 0.166 -3.510 -2.534
47 HA PHE 7 HA PHE 7 -2.567 -2.937 -1.599
48 HB2 PHE 7 HB3 PHE 7 -0.136 -3.475 0.115
49 HB3 PHE 7 HB2 PHE 7 -1.783 -3.246 0.675
50 HD1 PHE 7 HD1 PHE 7 -2.944 -4.979 -1.669
51 HD2 PHE 7 HD2 PHE 7 0.085 -5.585 1.253
52 HE1 PHE 7 HE1 PHE 7 -3.336 -7.410 -1.774
53 HE2 PHE 7 HE2 PHE 7 -0.293 -8.014 1.149
54 HZ PHE 7 HZ PHE 7 -2.006 -8.928 -0.365
55 H SER 8 H SER 8 -2.753 -1.133 -0.127
56 HA SER 8 HA SER 8 -0.885 1.049 -0.755
57 HB2 SER 8 HB3 SER 8 -3.645 1.278 0.421
58 HB3 SER 8 HB2 SER 8 -2.662 2.569 -0.245
59 HG SER 8 HG SER 8 -2.833 1.530 -2.302
60 H TYR 9 H TYR 9 -0.028 2.262 0.941
61 HA TYR 9 HA TYR 9 -0.394 1.100 3.623
62 HB2 TYR 9 HB3 TYR 9 2.272 1.960 2.436
63 HB3 TYR 9 HB2 TYR 9 2.004 1.427 4.079
64 HD1 TYR 9 HD2 TYR 9 1.492 0.155 0.579
65 HD2 TYR 9 HD1 TYR 9 2.453 -0.708 4.620
66 HE1 TYR 9 HE2 TYR 9 1.940 -2.188 -0.037
67 HE2 TYR 9 HE1 TYR 9 2.906 -3.051 4.027
68 HH TYR 9 HH TYR 9 2.403 -4.657 2.347
69 H GLN 10 H GLN 10 0.005 2.547 5.376
70 HA GLN 10 HA GLN 10 -0.274 5.393 4.627
71 HB2 GLN 10 HB3 GLN 10 -2.181 4.567 5.900
72 HB3 GLN 10 HB2 GLN 10 -1.116 3.932 7.144
73 HG2 GLN 10 HG3 GLN 10 -0.442 6.185 7.751
74 HG3 GLN 10 HG2 GLN 10 -1.453 6.861 6.474
75 HE21 GLN 10 HE22 GLN 10 -1.384 5.364 9.598
76 HE22 GLN 10 HE21 GLN 10 -3.031 5.686 10.016
77 H ALA 11 H ALA 11 1.338 6.727 5.145
78 HA ALA 11 HA ALA 11 3.727 5.566 6.248
79 HB1 ALA 11 HB1 ALA 11 4.852 7.406 5.435
80 HB2 ALA 11 HB2 ALA 11 3.459 8.460 5.616
81 HB3 ALA 11 HB3 ALA 11 3.498 7.274 4.310
82 H LEU 12 H LEU 12 4.647 5.929 8.137
83 HA LEU 12 HA LEU 12 2.910 6.458 10.298
84 HB2 LEU 12 HB3 LEU 12 5.911 6.241 10.323
85 HB3 LEU 12 HB2 LEU 12 4.835 6.010 11.688
86 HG LEU 12 HG LEU 12 4.656 4.274 9.243
87 HD11 LEU 12 HD11 LEU 12 6.380 3.855 11.676
88 HD12 LEU 12 HD12 LEU 12 6.936 4.148 10.025
89 HD13 LEU 12 HD13 LEU 12 6.071 2.659 10.415
90 HD21 LEU 12 HD21 LEU 12 3.792 3.979 12.113
91 HD22 LEU 12 HD22 LEU 12 3.721 2.688 10.912
92 HD23 LEU 12 HD23 LEU 12 2.756 4.146 10.694
93 H TYR 13 H TYR 13 5.395 8.412 8.761
94 HA TYR 13 HA TYR 13 4.494 10.722 10.239
95 HB2 TYR 13 HB3 TYR 13 6.886 11.314 10.885
96 HB3 TYR 13 HB2 TYR 13 6.098 10.064 11.831
97 HD1 TYR 13 HD2 TYR 13 8.737 10.763 9.371
98 HD2 TYR 13 HD1 TYR 13 6.857 7.780 11.754
99 HE1 TYR 13 HE2 TYR 13 10.636 9.251 8.974
100 HE2 TYR 13 HE1 TYR 13 8.750 6.266 11.364
101 HH TYR 13 HH TYR 13 10.530 5.924 9.749
102 H SER 14 H SER 14 5.759 12.706 9.491
103 HA SER 14 HA SER 14 5.710 12.622 6.622
104 HB2 SER 14 HB3 SER 14 6.063 15.050 6.765
105 HB3 SER 14 HB2 SER 14 4.755 14.528 7.815
106 HG SER 14 HG SER 14 6.104 15.979 8.896
107 H TYR 15 H TYR 15 7.410 13.043 5.221
108 HA TYR 15 HA TYR 15 10.094 12.652 6.363
109 HB2 TYR 15 HB3 TYR 15 8.787 10.577 5.326
110 HB3 TYR 15 HB2 TYR 15 9.321 11.294 3.817
111 HD1 TYR 15 HD1 TYR 15 11.681 11.367 3.221
112 HD2 TYR 15 HD2 TYR 15 10.386 9.546 6.838
113 HE1 TYR 15 HE1 TYR 15 13.862 10.247 3.429
114 HE2 TYR 15 HE2 TYR 15 12.563 8.427 7.063
115 HH TYR 15 HH TYR 15 14.420 7.693 5.536
116 H ILE 16 H ILE 16 11.566 14.019 5.511
117 HA ILE 16 HA ILE 16 10.797 15.604 3.179
118 HB ILE 16 HB ILE 16 13.176 15.911 5.022
119 HG12 ILE 16 HG13 ILE 16 11.094 16.352 6.213
120 HG13 ILE 16 HG12 ILE 16 11.938 17.862 5.905
121 HG21 ILE 16 HG21 ILE 16 12.116 17.961 3.105
122 HG22 ILE 16 HG22 ILE 16 13.326 16.775 2.629
123 HG23 ILE 16 HG23 ILE 16 13.681 17.920 3.922
124 HD11 ILE 16 HD11 ILE 16 10.425 18.566 4.352
125 HD12 ILE 16 HD12 ILE 16 9.398 17.723 5.512
126 HD13 ILE 16 HD13 ILE 16 9.881 16.932 4.013
127 HA PRO 17 HA PRO 17 12.915 12.903 0.405
128 HB2 PRO 17 HB2 PRO 17 13.375 15.425 -1.101
129 HB3 PRO 17 HB3 PRO 17 12.654 13.906 -1.639
130 HG2 PRO 17 HG3 PRO 17 11.163 16.068 -1.126
131 HG3 PRO 17 HG2 PRO 17 10.586 14.430 -0.772
132 HD2 PRO 17 HD3 PRO 17 11.552 16.539 1.078
133 HD3 PRO 17 HD2 PRO 17 10.356 15.270 1.345
134 H GLN 18 H GLN 18 14.915 12.194 0.260
135 HA GLN 18 HA GLN 18 17.145 13.825 1.178
136 HB2 GLN 18 HB3 GLN 18 17.335 11.029 0.073
137 HB3 GLN 18 HB2 GLN 18 18.383 11.817 1.244
138 HG2 GLN 18 HG3 GLN 18 16.740 11.635 2.949
139 HG3 GLN 18 HG2 GLN 18 15.519 11.099 1.797
140 HE21 GLN 18 HE22 GLN 18 15.681 9.009 0.915
141 HE22 GLN 18 HE21 GLN 18 16.593 7.772 1.713
142 H ASN 19 H ASN 19 15.866 12.292 -1.683
143 HA ASN 19 HA ASN 19 17.806 13.774 -3.339
144 HB2 ASN 19 HB3 ASN 19 16.601 11.034 -3.752
145 HB3 ASN 19 HB2 ASN 19 17.372 11.932 -5.051
146 HD21 ASN 19 HD22 ASN 19 19.580 12.251 -5.007
147 HD22 ASN 19 HD21 ASN 19 20.633 11.326 -3.997
148 H ASP 20 H ASP 20 16.978 14.400 -5.454
149 HA ASP 20 HA ASP 20 14.368 15.568 -5.227
150 HB2 ASP 20 HB3 ASP 20 16.378 15.523 -7.485
151 HB3 ASP 20 HB2 ASP 20 14.848 16.388 -7.568
152 H ASP 21 H ASP 21 15.493 12.591 -6.223
153 HA ASP 21 HA ASP 21 13.446 12.026 -8.186
154 HB2 ASP 21 HB3 ASP 21 15.314 10.146 -6.715
155 HB3 ASP 21 HB2 ASP 21 14.295 9.708 -8.080
156 H GLU 22 H GLU 22 13.669 12.132 -4.817
157 HA GLU 22 HA GLU 22 11.721 10.015 -4.366
158 HB2 GLU 22 HB3 GLU 22 13.204 11.744 -2.383
159 HB3 GLU 22 HB2 GLU 22 12.226 10.334 -2.002
160 HG2 GLU 22 HG3 GLU 22 13.776 8.934 -3.303
161 HG3 GLU 22 HG2 GLU 22 14.777 10.357 -3.596
162 H LEU 23 H LEU 23 10.162 10.542 -2.538
163 HA LEU 23 HA LEU 23 8.517 12.752 -3.531
164 HB2 LEU 23 HB3 LEU 23 7.670 10.421 -3.530
165 HB3 LEU 23 HB2 LEU 23 7.819 10.395 -1.788
166 HG LEU 23 HG LEU 23 6.076 12.033 -1.551
167 HD11 LEU 23 HD11 LEU 23 4.903 12.973 -3.469
168 HD12 LEU 23 HD12 LEU 23 5.994 12.121 -4.565
169 HD13 LEU 23 HD13 LEU 23 6.615 13.405 -3.525
170 HD21 LEU 23 HD21 LEU 23 4.232 10.783 -2.735
171 HD22 LEU 23 HD22 LEU 23 5.293 9.817 -1.704
172 HD23 LEU 23 HD23 LEU 23 5.513 9.806 -3.452
173 H GLU 24 H GLU 24 7.835 14.413 -2.188
174 HA GLU 24 HA GLU 24 8.894 14.576 0.479
175 HB2 GLU 24 HB3 GLU 24 8.206 16.534 -1.157
176 HB3 GLU 24 HB2 GLU 24 6.611 16.285 -0.456
177 HG2 GLU 24 HG3 GLU 24 7.816 16.481 1.813
178 HG3 GLU 24 HG2 GLU 24 9.132 17.173 0.875
179 H LEU 25 H LEU 25 8.050 13.525 2.129
180 HA LEU 25 HA LEU 25 5.439 12.255 1.733
181 HB2 LEU 25 HB3 LEU 25 7.647 10.973 2.087
182 HB3 LEU 25 HB2 LEU 25 7.530 11.486 3.752
183 HG LEU 25 HG LEU 25 6.734 9.164 3.262
184 HD11 LEU 25 HD11 LEU 25 4.398 9.760 4.446
185 HD12 LEU 25 HD12 LEU 25 5.318 11.236 4.746
186 HD13 LEU 25 HD13 LEU 25 5.949 9.684 5.275
187 HD21 LEU 25 HD21 LEU 25 4.367 9.049 2.387
188 HD22 LEU 25 HD22 LEU 25 5.625 9.390 1.197
189 HD23 LEU 25 HD23 LEU 25 4.611 10.697 1.803
190 H ARG 26 H ARG 26 3.794 12.598 3.132
191 HA ARG 26 HA ARG 26 4.375 14.230 5.509
192 HB2 ARG 26 HB3 ARG 26 1.967 14.320 3.695
193 HB3 ARG 26 HB2 ARG 26 2.044 15.131 5.251
194 HG2 ARG 26 HG3 ARG 26 3.879 15.630 2.916
195 HG3 ARG 26 HG2 ARG 26 2.546 16.666 3.430
196 HD2 ARG 26 HD3 ARG 26 3.617 17.125 5.506
197 HD3 ARG 26 HD2 ARG 26 4.863 15.922 5.199
198 HE ARG 26 HE ARG 26 5.135 17.665 3.133
199 HH11 ARG 26 HH11 ARG 26 5.033 18.051 6.620
200 HH12 ARG 26 HH12 ARG 26 6.131 19.394 6.621
201 HH21 ARG 26 HH22 ARG 26 6.561 19.425 3.135
202 HH22 ARG 26 HH21 ARG 26 7.009 20.177 4.649
203 H ASP 27 H ASP 27 3.157 13.771 7.395
204 HA ASP 27 HA ASP 27 2.999 11.000 7.842
205 HB2 ASP 27 HB3 ASP 27 2.127 11.532 10.072
206 HB3 ASP 27 HB2 ASP 27 3.530 12.501 9.662
207 H GLY 28 H GLY 28 1.423 9.576 7.982
208 HA2 GLY 28 HA3 GLY 28 -0.619 8.589 7.738
209 HA3 GLY 28 HA2 GLY 28 -1.370 10.150 7.989
210 H ASP 29 H ASP 29 0.970 9.757 5.513
211 HA ASP 29 HA ASP 29 -1.046 10.204 3.469
212 HB2 ASP 29 HB3 ASP 29 1.259 11.358 3.608
213 HB3 ASP 29 HB2 ASP 29 1.909 9.841 2.993
214 H ILE 30 H ILE 30 -1.519 8.732 1.823
215 HA ILE 30 HA ILE 30 -0.776 5.979 2.475
216 HB ILE 30 HB ILE 30 -3.031 7.043 0.757
217 HG12 ILE 30 HG13 ILE 30 -4.430 5.842 2.475
218 HG13 ILE 30 HG12 ILE 30 -2.973 5.635 3.428
219 HG21 ILE 30 HG21 ILE 30 -2.416 4.166 1.408
220 HG22 ILE 30 HG22 ILE 30 -2.063 4.938 -0.135
221 HG23 ILE 30 HG23 ILE 30 -3.734 4.770 0.405
222 HD11 ILE 30 HD11 ILE 30 -4.389 7.503 4.172
223 HD12 ILE 30 HD12 ILE 30 -4.118 8.286 2.614
224 HD13 ILE 30 HD13 ILE 30 -2.761 7.998 3.706
225 H VAL 31 H VAL 31 0.488 4.825 1.156
226 HA VAL 31 HA VAL 31 1.326 6.151 -1.330
227 HB VAL 31 HB VAL 31 3.181 5.988 0.157
228 HG11 VAL 31 HG11 VAL 31 2.562 3.049 0.394
229 HG12 VAL 31 HG12 VAL 31 2.352 4.266 1.654
230 HG13 VAL 31 HG13 VAL 31 3.969 3.856 1.082
231 HG21 VAL 31 HG21 VAL 31 4.738 4.589 -1.122
232 HG22 VAL 31 HG22 VAL 31 3.686 5.538 -2.171
233 HG23 VAL 31 HG23 VAL 31 3.370 3.820 -1.928
234 H ASP 32 H ASP 32 1.152 5.187 -3.181
235 HA ASP 32 HA ASP 32 0.517 2.324 -3.294
236 HB2 ASP 32 HB3 ASP 32 -0.646 4.641 -4.803
237 HB3 ASP 32 HB2 ASP 32 -0.518 3.069 -5.604
238 H VAL 33 H VAL 33 1.960 1.158 -4.360
239 HA VAL 33 HA VAL 33 4.260 2.502 -5.373
240 HB VAL 33 HB VAL 33 5.061 0.686 -4.366
241 HG11 VAL 33 HG11 VAL 33 2.492 -0.665 -5.044
242 HG12 VAL 33 HG12 VAL 33 3.176 -0.235 -3.472
243 HG13 VAL 33 HG13 VAL 33 3.870 -1.563 -4.401
244 HG21 VAL 33 HG21 VAL 33 4.443 -0.439 -7.084
245 HG22 VAL 33 HG22 VAL 33 5.524 -1.204 -5.918
246 HG23 VAL 33 HG23 VAL 33 5.907 0.391 -6.560
247 H MET 34 H MET 34 4.598 3.180 -7.261
248 HA MET 34 HA MET 34 2.935 2.453 -9.504
249 HB2 MET 34 HB3 MET 34 5.204 4.418 -9.142
250 HB3 MET 34 HB2 MET 34 4.473 4.104 -10.713
251 HG2 MET 34 HG3 MET 34 3.044 5.140 -8.274
252 HG3 MET 34 HG2 MET 34 3.543 6.095 -9.669
253 HE1 MET 34 HE1 MET 34 0.595 6.094 -8.519
254 HE2 MET 34 HE2 MET 34 -0.370 5.984 -9.991
255 HE3 MET 34 HE3 MET 34 1.050 7.028 -9.945
256 H GLU 35 H GLU 35 6.236 1.979 -8.417
257 HA GLU 35 HA GLU 35 6.494 -0.351 -10.106
258 HB2 GLU 35 HB3 GLU 35 7.209 1.686 -11.505
259 HB3 GLU 35 HB2 GLU 35 8.578 1.810 -10.408
260 HG2 GLU 35 HG3 GLU 35 9.160 0.611 -12.448
261 HG3 GLU 35 HG2 GLU 35 9.304 -0.419 -11.022
262 H LYS 36 H LYS 36 8.237 -1.673 -9.460
263 HA LYS 36 HA LYS 36 9.131 -1.066 -6.742
264 HB2 LYS 36 HB3 LYS 36 9.128 -3.664 -8.273
265 HB3 LYS 36 HB2 LYS 36 9.797 -3.470 -6.667
266 HG2 LYS 36 HG3 LYS 36 7.583 -2.827 -5.838
267 HG3 LYS 36 HG2 LYS 36 6.920 -3.075 -7.457
268 HD2 LYS 36 HD3 LYS 36 8.426 -5.220 -6.011
269 HD3 LYS 36 HD2 LYS 36 6.689 -4.993 -5.781
270 HE2 LYS 36 HE3 LYS 36 6.277 -5.416 -8.097
271 HE3 LYS 36 HE2 LYS 36 8.001 -5.403 -8.464
272 HZ1 LYS 36 HZ1 LYS 36 6.708 -7.383 -6.664
273 HZ2 LYS 36 HZ2 LYS 36 8.301 -7.409 -7.247
274 HZ3 LYS 36 HZ3 LYS 36 7.003 -7.655 -8.312
275 H CYS 37 H CYS 37 11.090 -0.403 -6.358
276 HA CYS 37 HA CYS 37 13.179 -0.546 -8.352
277 HB2 CYS 37 HB3 CYS 37 13.315 0.402 -5.473
278 HB3 CYS 37 HB2 CYS 37 14.504 0.713 -6.737
279 HG CYS 37 HG CYS 37 12.759 2.962 -5.965
280 H ASP 38 H ASP 38 14.901 -1.911 -8.305
281 HA ASP 38 HA ASP 38 14.456 -4.451 -7.207
282 HB2 ASP 38 HB3 ASP 38 16.983 -3.294 -8.370
283 HB3 ASP 38 HB2 ASP 38 16.722 -5.002 -8.038
284 H ASP 39 H ASP 39 16.078 -1.704 -5.918
285 HA ASP 39 HA ASP 39 17.690 -2.921 -3.965
286 HB2 ASP 39 HB3 ASP 39 16.213 -0.289 -3.810
287 HB3 ASP 39 HB2 ASP 39 17.539 -0.779 -2.765
288 H GLY 40 H GLY 40 14.265 -2.282 -4.117
289 HA2 GLY 40 HA3 GLY 40 12.925 -3.779 -2.625
290 HA3 GLY 40 HA2 GLY 40 13.975 -3.218 -1.332
291 H TRP 41 H TRP 41 13.570 -0.619 -3.296
292 HA TRP 41 HA TRP 41 11.484 0.469 -1.564
293 HB2 TRP 41 HB3 TRP 41 12.799 2.085 -3.708
294 HB3 TRP 41 HB2 TRP 41 12.267 2.579 -2.107
295 HD1 TRP 41 HD1 TRP 41 15.286 2.424 -3.875
296 HE1 TRP 41 HE1 TRP 41 17.342 2.008 -2.386
297 HE3 TRP 41 HE3 TRP 41 12.914 0.646 0.293
298 HZ2 TRP 41 HZ2 TRP 41 17.885 1.042 0.205
299 HZ3 TRP 41 HZ3 TRP 41 14.280 -0.010 2.232
300 HH2 TRP 41 HH2 TRP 41 16.715 0.183 2.188
301 H PHE 42 H PHE 42 9.727 1.749 -2.603
302 HA PHE 42 HA PHE 42 9.139 0.818 -5.324
303 HB2 PHE 42 HB3 PHE 42 6.899 1.328 -3.370
304 HB3 PHE 42 HB2 PHE 42 6.908 0.370 -4.833
305 HD1 PHE 42 HD1 PHE 42 8.732 -1.639 -4.699
306 HD2 PHE 42 HD2 PHE 42 6.682 0.140 -1.426
307 HE1 PHE 42 HE1 PHE 42 9.061 -3.692 -3.382
308 HE2 PHE 42 HE2 PHE 42 7.014 -1.904 -0.099
309 HZ PHE 42 HZ PHE 42 8.207 -3.824 -1.075
310 H VAL 43 H VAL 43 7.660 2.284 -6.494
311 HA VAL 43 HA VAL 43 8.217 5.072 -5.834
312 HB VAL 43 HB VAL 43 6.467 4.214 -8.101
313 HG11 VAL 43 HG11 VAL 43 8.280 6.534 -7.597
314 HG12 VAL 43 HG12 VAL 43 6.542 6.516 -7.916
315 HG13 VAL 43 HG13 VAL 43 7.679 6.148 -9.210
316 HG21 VAL 43 HG21 VAL 43 8.573 4.111 -9.523
317 HG22 VAL 43 HG22 VAL 43 8.251 2.734 -8.470
318 HG23 VAL 43 HG23 VAL 43 9.445 3.936 -8.005
319 H GLY 44 H GLY 44 6.414 6.597 -5.665
320 HA2 GLY 44 HA3 GLY 44 3.899 5.378 -4.839
321 HA3 GLY 44 HA2 GLY 44 4.865 6.101 -3.562
322 H THR 45 H THR 45 2.231 6.864 -4.386
323 HA THR 45 HA THR 45 2.802 9.594 -5.323
324 HB THR 45 HB THR 45 0.142 8.129 -5.445
325 HG1 THR 45 HG1 THR 45 2.352 8.008 -7.055
326 HG21 THR 45 HG21 THR 45 0.994 10.571 -7.001
327 HG22 THR 45 HG22 THR 45 0.248 10.706 -5.410
328 HG23 THR 45 HG23 THR 45 -0.634 9.949 -6.736
329 H SER 46 H SER 46 2.464 11.192 -3.895
330 HA SER 46 HA SER 46 1.439 10.607 -1.269
331 HB2 SER 46 HB3 SER 46 3.241 12.134 -1.297
332 HB3 SER 46 HB2 SER 46 2.526 13.089 -2.593
333 HG SER 46 HG SER 46 1.522 12.842 0.070
334 H ARG 47 H ARG 47 -0.555 10.861 -0.567
335 HA ARG 47 HA ARG 47 -2.603 11.902 -2.264
336 HB2 ARG 47 HB3 ARG 47 -2.474 10.606 0.408
337 HB3 ARG 47 HB2 ARG 47 -3.926 11.504 -0.016
338 HG2 ARG 47 HG3 ARG 47 -4.110 9.116 -0.517
339 HG3 ARG 47 HG2 ARG 47 -4.255 10.132 -1.948
340 HD2 ARG 47 HD3 ARG 47 -1.677 9.690 -2.122
341 HD3 ARG 47 HD2 ARG 47 -2.081 8.268 -1.156
342 HE ARG 47 HE ARG 47 -3.437 8.852 -3.707
343 HH11 ARG 47 HH11 ARG 47 -1.586 6.735 -1.645
344 HH12 ARG 47 HH12 ARG 47 -1.875 5.321 -2.628
345 HH21 ARG 47 HH22 ARG 47 -3.745 7.024 -5.047
346 HH22 ARG 47 HH21 ARG 47 -3.081 5.490 -4.555
347 H ARG 48 H ARG 48 -0.564 13.164 0.150
348 HA ARG 48 HA ARG 48 -2.442 15.234 0.916
349 HB2 ARG 48 HB3 ARG 48 0.382 14.672 1.793
350 HB3 ARG 48 HB2 ARG 48 -0.631 15.953 2.461
351 HG2 ARG 48 HG3 ARG 48 -2.304 14.037 2.943
352 HG3 ARG 48 HG2 ARG 48 -0.903 12.985 2.726
353 HD2 ARG 48 HD3 ARG 48 -1.118 13.456 5.057
354 HD3 ARG 48 HD2 ARG 48 0.284 14.339 4.455
355 HE ARG 48 HE ARG 48 -1.769 16.123 4.261
356 HH11 ARG 48 HH11 ARG 48 -0.451 14.196 6.877
357 HH12 ARG 48 HH12 ARG 48 -0.875 15.351 8.106
358 HH21 ARG 48 HH22 ARG 48 -2.370 17.618 5.871
359 HH22 ARG 48 HH21 ARG 48 -1.975 17.298 7.534
360 H THR 49 H THR 49 0.635 15.004 -0.879
361 HA THR 49 HA THR 49 0.180 17.810 -1.650
362 HB THR 49 HB THR 49 2.348 17.391 -0.530
363 HG1 THR 49 HG1 THR 49 2.362 18.235 -3.253
364 HG21 THR 49 HG21 THR 49 3.004 15.795 -3.009
365 HG22 THR 49 HG22 THR 49 2.751 15.127 -1.397
366 HG23 THR 49 HG23 THR 49 4.116 16.202 -1.700
367 H LYS 50 H LYS 50 -0.470 14.880 -2.759
368 HA LYS 50 HA LYS 50 -0.907 13.908 -4.747
369 HB2 LYS 50 HB3 LYS 50 -1.446 16.812 -5.244
370 HB3 LYS 50 HB2 LYS 50 -1.775 15.586 -6.465
371 HG2 LYS 50 HG3 LYS 50 -2.839 15.364 -3.677
372 HG3 LYS 50 HG2 LYS 50 -3.683 16.253 -4.933
373 HD2 LYS 50 HD3 LYS 50 -3.691 14.235 -6.338
374 HD3 LYS 50 HD2 LYS 50 -2.887 13.354 -5.043
375 HE2 LYS 50 HE3 LYS 50 -4.793 13.678 -3.593
376 HE3 LYS 50 HE2 LYS 50 -5.585 14.675 -4.814
377 HZ1 LYS 50 HZ1 LYS 50 -4.917 11.790 -5.082
378 HZ2 LYS 50 HZ2 LYS 50 -5.640 12.747 -6.285
379 HZ3 LYS 50 HZ3 LYS 50 -6.463 12.438 -4.832
380 H GLN 51 H GLN 51 1.843 14.212 -4.419
381 HA GLN 51 HA GLN 51 2.675 14.542 -7.206
382 HB2 GLN 51 HB3 GLN 51 4.233 14.955 -4.656
383 HB3 GLN 51 HB2 GLN 51 4.979 14.874 -6.245
384 HG2 GLN 51 HG3 GLN 51 2.858 16.832 -5.474
385 HG3 GLN 51 HG2 GLN 51 4.588 17.180 -5.405
386 HE21 GLN 51 HE22 GLN 51 1.823 16.711 -7.453
387 HE22 GLN 51 HE21 GLN 51 2.571 17.217 -8.932
388 H PHE 52 H PHE 52 4.438 13.055 -7.850
389 HA PHE 52 HA PHE 52 4.139 10.510 -6.404
390 HB2 PHE 52 HB3 PHE 52 3.712 9.352 -8.290
391 HB3 PHE 52 HB2 PHE 52 3.159 10.910 -8.868
392 HD1 PHE 52 HD1 PHE 52 5.776 8.405 -9.034
393 HD2 PHE 52 HD2 PHE 52 4.383 12.110 -10.575
394 HE1 PHE 52 HE1 PHE 52 7.362 8.210 -10.914
395 HE2 PHE 52 HE2 PHE 52 5.963 11.932 -12.453
396 HZ PHE 52 HZ PHE 52 7.455 9.980 -12.625
397 H GLY 53 H GLY 53 5.866 9.858 -5.478
398 HA2 GLY 53 HA3 GLY 53 8.499 10.357 -6.699
399 HA3 GLY 53 HA2 GLY 53 8.210 10.798 -5.021
400 H THR 54 H THR 54 10.171 8.895 -5.944
401 HA THR 54 HA THR 54 9.007 6.375 -4.988
402 HB THR 54 HB THR 54 10.185 6.205 -7.102
403 HG1 THR 54 HG1 THR 54 12.030 4.985 -5.375
404 HG21 THR 54 HG21 THR 54 12.652 6.559 -7.192
405 HG22 THR 54 HG22 THR 54 12.568 7.292 -5.588
406 HG23 THR 54 HG23 THR 54 11.733 8.044 -6.948
407 H PHE 55 H PHE 55 9.844 5.279 -3.210
408 HA PHE 55 HA PHE 55 12.090 6.229 -1.732
409 HB2 PHE 55 HB3 PHE 55 10.866 6.999 0.275
410 HB3 PHE 55 HB2 PHE 55 10.569 8.024 -1.116
411 HD1 PHE 55 HD1 PHE 55 8.370 8.036 -2.208
412 HD2 PHE 55 HD2 PHE 55 9.125 5.703 1.267
413 HE1 PHE 55 HE1 PHE 55 5.950 7.793 -1.850
414 HE2 PHE 55 HE2 PHE 55 6.706 5.450 1.627
415 HZ PHE 55 HZ PHE 55 5.113 6.496 0.068
416 HA PRO 56 HA PRO 56 12.126 2.259 0.129
417 HB2 PRO 56 HB2 PRO 56 11.771 3.391 2.852
418 HB3 PRO 56 HB3 PRO 56 13.033 2.324 2.230
419 HG2 PRO 56 HG3 PRO 56 13.511 4.918 2.676
420 HG3 PRO 56 HG2 PRO 56 14.242 4.062 1.307
421 HD2 PRO 56 HD3 PRO 56 11.985 6.005 1.341
422 HD3 PRO 56 HD2 PRO 56 13.225 5.737 0.102
423 H GLY 57 H GLY 57 10.621 0.719 0.309
424 HA2 GLY 57 HA3 GLY 57 7.933 1.473 1.164
425 HA3 GLY 57 HA2 GLY 57 8.371 -0.001 0.309
426 H ASN 58 H ASN 58 10.670 0.145 2.525
427 HA ASN 58 HA ASN 58 9.200 -1.602 4.356
428 HB2 ASN 58 HB3 ASN 58 12.174 -1.089 4.092
429 HB3 ASN 58 HB2 ASN 58 11.442 -2.244 5.199
430 HD21 ASN 58 HD22 ASN 58 9.415 -3.091 3.270
431 HD22 ASN 58 HD21 ASN 58 10.241 -4.067 2.103
432 H TYR 59 H TYR 59 8.900 1.273 4.276
433 HA TYR 59 HA TYR 59 9.884 2.022 6.945
434 HB2 TYR 59 HB3 TYR 59 11.095 3.569 5.829
435 HB3 TYR 59 HB2 TYR 59 10.198 3.319 4.339
436 HD1 TYR 59 HD1 TYR 59 8.172 4.630 3.893
437 HD2 TYR 59 HD2 TYR 59 10.576 5.370 7.318
438 HE1 TYR 59 HE1 TYR 59 7.071 6.810 4.178
439 HE2 TYR 59 HE2 TYR 59 9.483 7.549 7.621
440 HH TYR 59 HH TYR 59 8.263 9.204 6.208
441 H VAL 60 H VAL 60 7.266 1.364 5.065
442 HA VAL 60 HA VAL 60 5.481 3.266 6.460
443 HB VAL 60 HB VAL 60 5.756 3.680 4.009
444 HG11 VAL 60 HG11 VAL 60 4.602 2.071 2.459
445 HG12 VAL 60 HG12 VAL 60 4.686 0.901 3.779
446 HG13 VAL 60 HG13 VAL 60 6.169 1.568 3.094
447 HG21 VAL 60 HG21 VAL 60 3.285 3.595 3.463
448 HG22 VAL 60 HG22 VAL 60 3.773 4.497 4.900
449 HG23 VAL 60 HG23 VAL 60 3.091 2.885 5.064
450 H LYS 61 H LYS 61 3.277 2.383 6.843
451 HA LYS 61 HA LYS 61 3.374 -0.528 7.228
452 HB2 LYS 61 HB3 LYS 61 2.114 1.597 8.961
453 HB3 LYS 61 HB2 LYS 61 1.868 -0.129 9.187
454 HG2 LYS 61 HG3 LYS 61 4.408 -0.273 9.356
455 HG3 LYS 61 HG2 LYS 61 4.360 1.475 9.565
456 HD2 LYS 61 HD3 LYS 61 4.340 0.479 11.744
457 HD3 LYS 61 HD2 LYS 61 2.740 1.143 11.416
458 HE2 LYS 61 HE3 LYS 61 2.094 -1.180 10.634
459 HE3 LYS 61 HE2 LYS 61 3.604 -1.731 11.359
460 HZ1 LYS 61 HZ1 LYS 61 1.219 -0.614 12.682
461 HZ2 LYS 61 HZ2 LYS 61 2.735 -0.532 13.441
462 HZ3 LYS 61 HZ3 LYS 61 2.070 -2.037 13.040
463 HA PRO 62 HA PRO 62 -0.328 -1.188 4.945
464 HB2 PRO 62 HB2 PRO 62 -1.627 -2.895 6.689
465 HB3 PRO 62 HB3 PRO 62 -0.356 -3.392 5.564
466 HG2 PRO 62 HG3 PRO 62 -0.132 -2.668 8.469
467 HG3 PRO 62 HG2 PRO 62 0.598 -4.030 7.603
468 HD2 PRO 62 HD3 PRO 62 2.055 -1.905 8.157
469 HD3 PRO 62 HD2 PRO 62 2.185 -2.669 6.557
470 H LEU 63 H LEU 63 -2.427 -0.470 4.816
471 HA LEU 63 HA LEU 63 -3.214 1.660 6.442
472 HB2 LEU 63 HB3 LEU 63 -4.803 -0.041 4.529
473 HB3 LEU 63 HB2 LEU 63 -5.418 1.420 5.278
474 HG LEU 63 HG LEU 63 -3.055 1.264 3.401
475 HD11 LEU 63 HD11 LEU 63 -5.189 0.934 2.268
476 HD12 LEU 63 HD12 LEU 63 -4.513 2.515 1.875
477 HD13 LEU 63 HD13 LEU 63 -5.836 2.386 3.035
478 HD21 LEU 63 HD21 LEU 63 -4.369 3.629 4.720
479 HD22 LEU 63 HD22 LEU 63 -3.066 3.690 3.528
480 HD23 LEU 63 HD23 LEU 63 -2.782 2.962 5.109
481 H TYR 64 H TYR 64 -4.258 1.804 8.246
482 HA TYR 64 HA TYR 64 -4.956 1.208 10.309
483 HB2 TYR 64 HB3 TYR 64 -7.003 1.392 8.815
484 HB3 TYR 64 HB2 TYR 64 -7.031 -0.362 8.820
485 HD1 TYR 64 HD1 TYR 64 -6.626 2.366 11.313
486 HD2 TYR 64 HD2 TYR 64 -8.537 -1.301 10.327
487 HE1 TYR 64 HE1 TYR 64 -7.844 2.442 13.443
488 HE2 TYR 64 HE2 TYR 64 -9.765 -1.239 12.462
489 HH TYR 64 HH TYR 64 -9.641 -0.248 14.638
Start of MODEL 3
1 H1 GLN 1 H1 GLN 1 -5.795 -5.496 -18.886
2 H2 GLN 1 H2 GLN 1 -5.243 -4.213 -19.851
3 H3 GLN 1 H3 GLN 1 -5.396 -4.012 -18.174
4 HA GLN 1 HA GLN 1 -3.560 -5.946 -19.448
5 HB2 GLN 1 HB3 GLN 1 -1.754 -4.378 -18.862
6 HB3 GLN 1 HB2 GLN 1 -2.871 -3.677 -20.025
7 HG2 GLN 1 HG3 GLN 1 -3.959 -2.440 -18.197
8 HG3 GLN 1 HG2 GLN 1 -2.784 -3.112 -17.067
9 HE21 GLN 1 HE22 GLN 1 -1.963 -1.100 -16.514
10 HE22 GLN 1 HE21 GLN 1 -0.991 -0.166 -17.593
11 H THR 2 H THR 2 -2.646 -7.340 -18.032
12 HA THR 2 HA THR 2 -3.489 -7.152 -15.257
13 HB THR 2 HB THR 2 -1.766 -9.334 -16.413
14 HG1 THR 2 HG1 THR 2 -3.511 -9.319 -17.780
15 HG21 THR 2 HG21 THR 2 -2.889 -10.688 -14.699
16 HG22 THR 2 HG22 THR 2 -3.818 -9.276 -14.193
17 HG23 THR 2 HG23 THR 2 -2.068 -9.303 -13.983
18 H SER 3 H SER 3 -2.004 -5.096 -15.346
19 HA SER 3 HA SER 3 0.786 -5.611 -14.885
20 HB2 SER 3 HB3 SER 3 -0.805 -3.115 -14.251
21 HB3 SER 3 HB2 SER 3 0.947 -3.239 -14.415
22 HG SER 3 HG SER 3 0.716 -2.991 -16.475
23 H GLN 4 H GLN 4 -2.011 -4.749 -12.946
24 HA GLN 4 HA GLN 4 -2.528 -4.917 -10.767
25 HB2 GLN 4 HB3 GLN 4 -2.218 -7.321 -11.451
26 HB3 GLN 4 HB2 GLN 4 -0.625 -7.245 -10.707
27 HG2 GLN 4 HG3 GLN 4 -1.607 -6.711 -8.570
28 HG3 GLN 4 HG2 GLN 4 -3.208 -6.665 -9.308
29 HE21 GLN 4 HE22 GLN 4 -2.678 -8.978 -10.999
30 HE22 GLN 4 HE21 GLN 4 -2.761 -10.360 -9.959
31 H ASP 5 H ASP 5 -1.686 -3.048 -9.930
32 HA ASP 5 HA ASP 5 0.989 -2.861 -8.970
33 HB2 ASP 5 HB3 ASP 5 0.081 -0.853 -7.707
34 HB3 ASP 5 HB2 ASP 5 -0.065 -0.796 -9.459
35 H LEU 6 H LEU 6 1.311 -2.303 -6.557
36 HA LEU 6 HA LEU 6 0.551 -4.699 -5.164
37 HB2 LEU 6 HB3 LEU 6 2.389 -2.434 -4.427
38 HB3 LEU 6 HB2 LEU 6 2.130 -3.858 -3.448
39 HG LEU 6 HG LEU 6 3.088 -4.106 -6.266
40 HD11 LEU 6 HD11 LEU 6 5.352 -4.382 -4.897
41 HD12 LEU 6 HD12 LEU 6 4.543 -3.201 -3.858
42 HD13 LEU 6 HD13 LEU 6 4.829 -2.833 -5.557
43 HD21 LEU 6 HD21 LEU 6 3.607 -5.839 -3.867
44 HD22 LEU 6 HD22 LEU 6 3.823 -6.238 -5.571
45 HD23 LEU 6 HD23 LEU 6 2.199 -6.048 -4.905
46 H PHE 7 H PHE 7 0.876 -3.344 -2.524
47 HA PHE 7 HA PHE 7 -1.946 -2.619 -2.261
48 HB2 PHE 7 HB3 PHE 7 -0.030 -3.357 -0.047
49 HB3 PHE 7 HB2 PHE 7 -1.785 -3.335 0.017
50 HD1 PHE 7 HD2 PHE 7 -2.922 -4.915 -1.823
51 HD2 PHE 7 HD1 PHE 7 0.978 -5.366 -0.214
52 HE1 PHE 7 HE2 PHE 7 -2.960 -7.297 -2.430
53 HE2 PHE 7 HE1 PHE 7 0.962 -7.755 -0.823
54 HZ PHE 7 HZ PHE 7 -1.015 -8.720 -1.929
55 H SER 8 H SER 8 -2.484 -0.970 -0.651
56 HA SER 8 HA SER 8 -0.670 1.301 -0.808
57 HB2 SER 8 HB3 SER 8 -3.374 1.277 0.504
58 HB3 SER 8 HB2 SER 8 -2.510 2.642 -0.188
59 HG SER 8 HG SER 8 -2.868 1.812 -2.254
60 H TYR 9 H TYR 9 0.182 2.319 0.990
61 HA TYR 9 HA TYR 9 -0.229 0.962 3.569
62 HB2 TYR 9 HB3 TYR 9 2.425 1.941 2.475
63 HB3 TYR 9 HB2 TYR 9 2.155 1.422 4.121
64 HD1 TYR 9 HD2 TYR 9 1.890 0.135 0.606
65 HD2 TYR 9 HD1 TYR 9 2.542 -0.723 4.709
66 HE1 TYR 9 HE2 TYR 9 2.460 -2.189 0.023
67 HE2 TYR 9 HE1 TYR 9 3.113 -3.049 4.146
68 HH TYR 9 HH TYR 9 3.849 -4.059 1.077
69 H GLN 10 H GLN 10 0.052 2.304 5.422
70 HA GLN 10 HA GLN 10 -0.254 5.184 4.842
71 HB2 GLN 10 HB3 GLN 10 -2.139 3.947 6.019
72 HB3 GLN 10 HB2 GLN 10 -1.046 3.746 7.380
73 HG2 GLN 10 HG3 GLN 10 -0.912 6.135 7.690
74 HG3 GLN 10 HG2 GLN 10 -1.864 6.404 6.228
75 HE21 GLN 10 HE22 GLN 10 -2.394 7.205 8.998
76 HE22 GLN 10 HE21 GLN 10 -3.936 6.531 9.395
77 H ALA 11 H ALA 11 1.272 6.523 5.587
78 HA ALA 11 HA ALA 11 3.694 5.275 6.499
79 HB1 ALA 11 HB1 ALA 11 4.775 7.243 5.888
80 HB2 ALA 11 HB2 ALA 11 3.324 8.208 6.096
81 HB3 ALA 11 HB3 ALA 11 3.451 7.102 4.734
82 H LEU 12 H LEU 12 4.741 5.511 8.348
83 HA LEU 12 HA LEU 12 3.217 6.049 10.697
84 HB2 LEU 12 HB3 LEU 12 6.192 5.621 10.482
85 HB3 LEU 12 HB2 LEU 12 5.175 5.329 11.880
86 HG LEU 12 HG LEU 12 4.758 3.790 9.341
87 HD11 LEU 12 HD11 LEU 12 6.704 3.157 11.549
88 HD12 LEU 12 HD12 LEU 12 7.092 3.529 9.867
89 HD13 LEU 12 HD13 LEU 12 6.222 2.046 10.265
90 HD21 LEU 12 HD21 LEU 12 4.163 3.292 12.249
91 HD22 LEU 12 HD22 LEU 12 3.942 2.101 10.964
92 HD23 LEU 12 HD23 LEU 12 3.002 3.593 10.952
93 H TYR 13 H TYR 13 5.667 7.715 8.871
94 HA TYR 13 HA TYR 13 5.442 10.057 10.598
95 HB2 TYR 13 HB3 TYR 13 8.037 8.692 9.861
96 HB3 TYR 13 HB2 TYR 13 7.948 10.333 10.482
97 HD1 TYR 13 HD2 TYR 13 6.783 10.622 12.786
98 HD2 TYR 13 HD1 TYR 13 8.277 6.912 11.341
99 HE1 TYR 13 HE2 TYR 13 6.889 9.776 15.091
100 HE2 TYR 13 HE1 TYR 13 8.388 6.054 13.643
101 HH TYR 13 HH TYR 13 8.594 6.989 15.939
102 H SER 14 H SER 14 6.695 11.901 9.528
103 HA SER 14 HA SER 14 5.994 11.933 6.718
104 HB2 SER 14 HB3 SER 14 6.361 14.361 6.913
105 HB3 SER 14 HB2 SER 14 5.250 13.769 8.139
106 HG SER 14 HG SER 14 7.989 13.919 8.742
107 H TYR 15 H TYR 15 7.391 12.045 5.077
108 HA TYR 15 HA TYR 15 10.278 11.860 5.667
109 HB2 TYR 15 HB3 TYR 15 9.021 9.913 4.503
110 HB3 TYR 15 HB2 TYR 15 8.902 10.996 3.131
111 HD1 TYR 15 HD2 TYR 15 11.332 9.135 5.219
112 HD2 TYR 15 HD1 TYR 15 10.668 11.368 1.661
113 HE1 TYR 15 HE2 TYR 15 13.512 8.391 4.344
114 HE2 TYR 15 HE1 TYR 15 12.832 10.625 0.775
115 HH TYR 15 HH TYR 15 14.779 9.636 1.275
116 H ILE 16 H ILE 16 11.542 13.467 4.893
117 HA ILE 16 HA ILE 16 10.315 15.395 3.050
118 HB ILE 16 HB ILE 16 12.758 15.735 4.798
119 HG12 ILE 16 HG13 ILE 16 10.699 15.581 6.118
120 HG13 ILE 16 HG12 ILE 16 11.332 17.218 6.129
121 HG21 ILE 16 HG21 ILE 16 11.248 17.905 3.387
122 HG22 ILE 16 HG22 ILE 16 12.580 17.046 2.621
123 HG23 ILE 16 HG23 ILE 16 12.863 17.967 4.099
124 HD11 ILE 16 HD11 ILE 16 9.638 18.049 4.869
125 HD12 ILE 16 HD12 ILE 16 8.799 16.788 5.775
126 HD13 ILE 16 HD13 ILE 16 9.317 16.494 4.116
127 HA PRO 17 HA PRO 17 12.676 13.561 -0.203
128 HB2 PRO 17 HB2 PRO 17 12.443 16.231 -1.455
129 HB3 PRO 17 HB3 PRO 17 11.934 14.655 -2.065
130 HG2 PRO 17 HG3 PRO 17 10.169 16.471 -1.168
131 HG3 PRO 17 HG2 PRO 17 9.917 14.729 -0.958
132 HD2 PRO 17 HD3 PRO 17 10.746 16.778 1.031
133 HD3 PRO 17 HD2 PRO 17 9.784 15.314 1.256
134 H GLN 18 H GLN 18 14.787 13.317 -0.424
135 HA GLN 18 HA GLN 18 16.618 15.500 0.223
136 HB2 GLN 18 HB3 GLN 18 17.393 12.757 -0.755
137 HB3 GLN 18 HB2 GLN 18 18.340 13.874 0.215
138 HG2 GLN 18 HG3 GLN 18 16.977 13.457 2.131
139 HG3 GLN 18 HG2 GLN 18 15.851 12.491 1.179
140 HE21 GLN 18 HE22 GLN 18 16.502 10.457 0.423
141 HE22 GLN 18 HE21 GLN 18 17.822 9.601 1.165
142 H ASN 19 H ASN 19 15.665 13.363 -2.366
143 HA ASN 19 HA ASN 19 16.869 15.168 -4.365
144 HB2 ASN 19 HB3 ASN 19 16.109 12.235 -4.555
145 HB3 ASN 19 HB2 ASN 19 16.767 13.194 -5.875
146 HD21 ASN 19 HD22 ASN 19 17.437 11.746 -2.768
147 HD22 ASN 19 HD21 ASN 19 19.173 11.788 -2.909
148 H ASP 20 H ASP 20 15.557 15.427 -6.350
149 HA ASP 20 HA ASP 20 12.844 16.023 -5.644
150 HB2 ASP 20 HB3 ASP 20 14.346 17.346 -7.246
151 HB3 ASP 20 HB2 ASP 20 13.990 16.095 -8.433
152 H ASP 21 H ASP 21 14.481 13.354 -6.913
153 HA ASP 21 HA ASP 21 12.326 12.069 -8.263
154 HB2 ASP 21 HB3 ASP 21 14.767 10.860 -6.936
155 HB3 ASP 21 HB2 ASP 21 13.684 10.020 -8.038
156 H GLU 22 H GLU 22 13.222 12.513 -4.977
157 HA GLU 22 HA GLU 22 11.564 10.360 -3.977
158 HB2 GLU 22 HB3 GLU 22 13.300 12.453 -2.697
159 HB3 GLU 22 HB2 GLU 22 12.156 11.528 -1.736
160 HG2 GLU 22 HG3 GLU 22 13.277 9.523 -2.103
161 HG3 GLU 22 HG2 GLU 22 14.170 10.158 -3.486
162 H LEU 23 H LEU 23 9.902 10.803 -2.401
163 HA LEU 23 HA LEU 23 8.168 12.938 -3.416
164 HB2 LEU 23 HB3 LEU 23 7.514 10.522 -3.543
165 HB3 LEU 23 HB2 LEU 23 7.473 10.505 -1.792
166 HG LEU 23 HG LEU 23 5.644 12.074 -1.767
167 HD11 LEU 23 HD11 LEU 23 4.595 12.826 -3.866
168 HD12 LEU 23 HD12 LEU 23 5.911 12.088 -4.773
169 HD13 LEU 23 HD13 LEU 23 6.236 13.444 -3.691
170 HD21 LEU 23 HD21 LEU 23 4.017 10.667 -3.135
171 HD22 LEU 23 HD22 LEU 23 4.963 9.851 -1.884
172 HD23 LEU 23 HD23 LEU 23 5.447 9.725 -3.572
173 H GLU 24 H GLU 24 7.213 14.415 -2.015
174 HA GLU 24 HA GLU 24 8.230 14.547 0.669
175 HB2 GLU 24 HB3 GLU 24 7.357 16.519 -0.868
176 HB3 GLU 24 HB2 GLU 24 5.800 16.085 -0.171
177 HG2 GLU 24 HG3 GLU 24 7.156 16.203 2.086
178 HG3 GLU 24 HG2 GLU 24 8.206 17.237 1.125
179 H LEU 25 H LEU 25 7.502 13.326 2.221
180 HA LEU 25 HA LEU 25 4.875 12.038 1.906
181 HB2 LEU 25 HB3 LEU 25 7.008 10.656 1.758
182 HB3 LEU 25 HB2 LEU 25 7.275 11.053 3.433
183 HG LEU 25 HG LEU 25 6.271 8.769 2.814
184 HD11 LEU 25 HD11 LEU 25 4.680 9.082 4.875
185 HD12 LEU 25 HD12 LEU 25 5.548 10.613 4.992
186 HD13 LEU 25 HD13 LEU 25 6.434 9.099 5.036
187 HD21 LEU 25 HD21 LEU 25 3.712 8.957 2.985
188 HD22 LEU 25 HD22 LEU 25 4.483 9.248 1.421
189 HD23 LEU 25 HD23 LEU 25 3.962 10.608 2.410
190 H ARG 26 H ARG 26 3.446 12.254 3.588
191 HA ARG 26 HA ARG 26 4.450 13.758 5.906
192 HB2 ARG 26 HB3 ARG 26 1.717 13.795 4.628
193 HB3 ARG 26 HB2 ARG 26 2.088 14.557 6.170
194 HG2 ARG 26 HG3 ARG 26 3.377 15.218 3.531
195 HG3 ARG 26 HG2 ARG 26 2.128 16.165 4.340
196 HD2 ARG 26 HD3 ARG 26 3.596 16.573 6.204
197 HD3 ARG 26 HD2 ARG 26 4.833 15.534 5.502
198 HE ARG 26 HE ARG 26 4.719 17.284 3.584
199 HH11 ARG 26 HH11 ARG 26 4.311 17.972 7.004
200 HH12 ARG 26 HH12 ARG 26 5.024 19.557 6.895
201 HH21 ARG 26 HH22 ARG 26 5.639 19.351 3.436
202 HH22 ARG 26 HH21 ARG 26 5.781 20.346 4.858
203 H ASP 27 H ASP 27 3.470 13.287 7.964
204 HA ASP 27 HA ASP 27 3.349 10.557 8.532
205 HB2 ASP 27 HB3 ASP 27 2.477 11.194 10.738
206 HB3 ASP 27 HB2 ASP 27 3.845 12.181 10.257
207 H GLY 28 H GLY 28 1.782 9.105 8.591
208 HA2 GLY 28 HA3 GLY 28 -0.225 8.081 8.199
209 HA3 GLY 28 HA2 GLY 28 -1.006 9.575 8.672
210 H ASP 29 H ASP 29 1.237 9.370 6.003
211 HA ASP 29 HA ASP 29 -0.914 10.036 4.130
212 HB2 ASP 29 HB3 ASP 29 1.420 11.194 4.268
213 HB3 ASP 29 HB2 ASP 29 1.993 9.770 3.410
214 H ILE 30 H ILE 30 -1.227 8.767 2.190
215 HA ILE 30 HA ILE 30 -0.623 5.943 2.697
216 HB ILE 30 HB ILE 30 -2.751 7.197 0.947
217 HG12 ILE 30 HG13 ILE 30 -4.276 5.959 2.527
218 HG13 ILE 30 HG12 ILE 30 -2.875 5.636 3.530
219 HG21 ILE 30 HG21 ILE 30 -2.325 4.264 1.476
220 HG22 ILE 30 HG22 ILE 30 -1.815 5.082 0.005
221 HG23 ILE 30 HG23 ILE 30 -3.528 4.996 0.416
222 HD11 ILE 30 HD11 ILE 30 -4.268 7.513 4.312
223 HD12 ILE 30 HD12 ILE 30 -3.863 8.383 2.832
224 HD13 ILE 30 HD13 ILE 30 -2.592 7.954 3.982
225 H VAL 31 H VAL 31 0.590 4.772 1.299
226 HA VAL 31 HA VAL 31 1.517 6.199 -1.095
227 HB VAL 31 HB VAL 31 3.385 5.824 0.307
228 HG11 VAL 31 HG11 VAL 31 2.584 2.925 0.448
229 HG12 VAL 31 HG12 VAL 31 2.444 4.100 1.755
230 HG13 VAL 31 HG13 VAL 31 4.036 3.629 1.157
231 HG21 VAL 31 HG21 VAL 31 3.364 3.740 -1.868
232 HG22 VAL 31 HG22 VAL 31 4.806 4.353 -1.057
233 HG23 VAL 31 HG23 VAL 31 3.821 5.435 -2.042
234 H ASP 32 H ASP 32 1.028 5.467 -2.960
235 HA ASP 32 HA ASP 32 0.380 2.622 -3.317
236 HB2 ASP 32 HB3 ASP 32 -0.658 5.060 -4.763
237 HB3 ASP 32 HB2 ASP 32 -0.765 3.449 -5.469
238 H VAL 33 H VAL 33 1.850 1.536 -4.430
239 HA VAL 33 HA VAL 33 4.148 2.955 -5.344
240 HB VAL 33 HB VAL 33 4.974 1.133 -4.402
241 HG11 VAL 33 HG11 VAL 33 2.385 -0.171 -5.056
242 HG12 VAL 33 HG12 VAL 33 3.149 0.160 -3.495
243 HG13 VAL 33 HG13 VAL 33 3.770 -1.130 -4.524
244 HG21 VAL 33 HG21 VAL 33 4.375 0.092 -7.156
245 HG22 VAL 33 HG22 VAL 33 5.398 -0.759 -5.996
246 HG23 VAL 33 HG23 VAL 33 5.857 0.846 -6.562
247 H MET 34 H MET 34 4.592 3.669 -7.157
248 HA MET 34 HA MET 34 2.963 3.185 -9.487
249 HB2 MET 34 HB3 MET 34 5.389 4.943 -9.019
250 HB3 MET 34 HB2 MET 34 4.501 4.869 -10.540
251 HG2 MET 34 HG3 MET 34 3.334 5.689 -7.893
252 HG3 MET 34 HG2 MET 34 3.888 6.796 -9.146
253 HE1 MET 34 HE1 MET 34 2.966 5.339 -11.804
254 HE2 MET 34 HE2 MET 34 2.738 7.063 -11.507
255 HE3 MET 34 HE3 MET 34 1.383 6.076 -12.056
256 H GLU 35 H GLU 35 6.276 2.586 -8.414
257 HA GLU 35 HA GLU 35 6.468 0.428 -10.373
258 HB2 GLU 35 HB3 GLU 35 7.435 2.583 -11.344
259 HB3 GLU 35 HB2 GLU 35 8.703 2.426 -10.135
260 HG2 GLU 35 HG3 GLU 35 9.415 0.351 -11.051
261 HG3 GLU 35 HG2 GLU 35 8.034 0.296 -12.141
262 H LYS 36 H LYS 36 7.927 -1.170 -9.808
263 HA LYS 36 HA LYS 36 8.409 -1.194 -6.910
264 HB2 LYS 36 HB3 LYS 36 8.174 -3.539 -8.794
265 HB3 LYS 36 HB2 LYS 36 8.182 -3.594 -7.041
266 HG2 LYS 36 HG3 LYS 36 6.029 -2.691 -6.888
267 HG3 LYS 36 HG2 LYS 36 6.049 -2.130 -8.562
268 HD2 LYS 36 HD3 LYS 36 6.135 -5.031 -7.740
269 HD3 LYS 36 HD2 LYS 36 4.658 -4.170 -8.180
270 HE2 LYS 36 HE3 LYS 36 5.554 -3.736 -10.400
271 HE3 LYS 36 HE2 LYS 36 7.073 -4.513 -9.960
272 HZ1 LYS 36 HZ1 LYS 36 5.669 -5.993 -11.239
273 HZ2 LYS 36 HZ2 LYS 36 4.420 -5.848 -10.103
274 HZ3 LYS 36 HZ3 LYS 36 5.878 -6.596 -9.670
275 H CYS 37 H CYS 37 10.471 -1.154 -6.213
276 HA CYS 37 HA CYS 37 12.624 -2.091 -7.919
277 HB2 CYS 37 HB3 CYS 37 12.555 -1.000 -5.102
278 HB3 CYS 37 HB2 CYS 37 14.025 -1.640 -5.826
279 HG CYS 37 HG CYS 37 14.347 1.043 -6.035
280 H ASP 38 H ASP 38 13.753 -3.972 -7.603
281 HA ASP 38 HA ASP 38 12.255 -6.136 -6.555
282 HB2 ASP 38 HB3 ASP 38 15.099 -6.018 -7.545
283 HB3 ASP 38 HB2 ASP 38 14.227 -7.503 -7.183
284 H ASP 39 H ASP 39 14.152 -3.911 -4.994
285 HA ASP 39 HA ASP 39 14.115 -5.379 -2.554
286 HB2 ASP 39 HB3 ASP 39 16.086 -6.421 -3.575
287 HB3 ASP 39 HB2 ASP 39 16.814 -4.835 -3.800
288 H GLY 40 H GLY 40 12.981 -3.468 -1.884
289 HA2 GLY 40 HA3 GLY 40 13.920 -2.120 0.037
290 HA3 GLY 40 HA2 GLY 40 14.908 -1.348 -1.187
291 H TRP 41 H TRP 41 13.543 -0.346 -3.036
292 HA TRP 41 HA TRP 41 11.651 1.381 -1.599
293 HB2 TRP 41 HB3 TRP 41 13.418 1.906 -3.995
294 HB3 TRP 41 HB2 TRP 41 12.198 3.031 -3.425
295 HD1 TRP 41 HD1 TRP 41 14.435 1.186 -0.924
296 HE1 TRP 41 HE1 TRP 41 15.979 2.906 0.221
297 HE3 TRP 41 HE3 TRP 41 13.317 5.288 -3.763
298 HZ2 TRP 41 HZ2 TRP 41 16.630 5.638 -0.053
299 HZ3 TRP 41 HZ3 TRP 41 14.446 7.417 -3.256
300 HH2 TRP 41 HH2 TRP 41 16.066 7.584 -1.438
301 H PHE 42 H PHE 42 9.685 1.957 -2.534
302 HA PHE 42 HA PHE 42 9.215 1.008 -5.274
303 HB2 PHE 42 HB3 PHE 42 6.955 1.536 -3.319
304 HB3 PHE 42 HB2 PHE 42 6.910 0.680 -4.844
305 HD1 PHE 42 HD1 PHE 42 8.759 -1.349 -4.829
306 HD2 PHE 42 HD2 PHE 42 6.608 0.176 -1.499
307 HE1 PHE 42 HE1 PHE 42 9.021 -3.509 -3.682
308 HE2 PHE 42 HE2 PHE 42 6.875 -1.976 -0.333
309 HZ PHE 42 HZ PHE 42 8.084 -3.823 -1.426
310 H VAL 43 H VAL 43 7.790 2.530 -6.502
311 HA VAL 43 HA VAL 43 8.350 5.286 -5.696
312 HB VAL 43 HB VAL 43 6.735 4.583 -8.109
313 HG11 VAL 43 HG11 VAL 43 8.631 6.788 -7.388
314 HG12 VAL 43 HG12 VAL 43 6.900 6.884 -7.715
315 HG13 VAL 43 HG13 VAL 43 8.025 6.540 -9.026
316 HG21 VAL 43 HG21 VAL 43 8.956 4.494 -9.362
317 HG22 VAL 43 HG22 VAL 43 8.501 3.072 -8.422
318 HG23 VAL 43 HG23 VAL 43 9.680 4.205 -7.785
319 H GLY 44 H GLY 44 6.569 6.829 -5.573
320 HA2 GLY 44 HA3 GLY 44 4.016 5.575 -4.874
321 HA3 GLY 44 HA2 GLY 44 4.903 6.382 -3.591
322 H THR 45 H THR 45 2.291 6.994 -4.595
323 HA THR 45 HA THR 45 2.818 9.719 -5.570
324 HB THR 45 HB THR 45 0.133 8.327 -5.631
325 HG1 THR 45 HG1 THR 45 1.370 7.063 -6.952
326 HG21 THR 45 HG21 THR 45 1.153 10.483 -7.459
327 HG22 THR 45 HG22 THR 45 0.448 10.865 -5.890
328 HG23 THR 45 HG23 THR 45 -0.514 10.028 -7.105
329 H SER 46 H SER 46 2.391 11.354 -4.193
330 HA SER 46 HA SER 46 1.490 10.740 -1.528
331 HB2 SER 46 HB3 SER 46 3.264 12.349 -1.747
332 HB3 SER 46 HB2 SER 46 2.305 13.339 -2.845
333 HG SER 46 HG SER 46 1.975 12.935 -0.063
334 H ARG 47 H ARG 47 -0.449 11.134 -0.631
335 HA ARG 47 HA ARG 47 -2.631 11.719 -2.370
336 HB2 ARG 47 HB3 ARG 47 -2.352 10.984 0.507
337 HB3 ARG 47 HB2 ARG 47 -3.890 11.612 -0.073
338 HG2 ARG 47 HG3 ARG 47 -3.838 9.169 -0.090
339 HG3 ARG 47 HG2 ARG 47 -4.022 9.838 -1.709
340 HD2 ARG 47 HD3 ARG 47 -1.446 9.630 -1.819
341 HD3 ARG 47 HD2 ARG 47 -1.652 8.505 -0.480
342 HE ARG 47 HE ARG 47 -2.555 6.968 -1.930
343 HH11 ARG 47 HH11 ARG 47 -2.333 10.075 -3.516
344 HH12 ARG 47 HH12 ARG 47 -2.709 9.454 -5.092
345 HH21 ARG 47 HH22 ARG 47 -2.999 6.122 -3.998
346 HH22 ARG 47 HH21 ARG 47 -3.121 7.203 -5.365
347 H ARG 48 H ARG 48 -0.520 13.671 -0.689
348 HA ARG 48 HA ARG 48 -2.419 15.791 -0.162
349 HB2 ARG 48 HB3 ARG 48 0.575 15.615 0.058
350 HB3 ARG 48 HB2 ARG 48 -0.297 17.122 0.311
351 HG2 ARG 48 HG3 ARG 48 -1.630 15.862 2.072
352 HG3 ARG 48 HG2 ARG 48 -0.394 14.607 1.937
353 HD2 ARG 48 HD3 ARG 48 0.132 16.131 3.755
354 HD3 ARG 48 HD2 ARG 48 1.332 16.265 2.467
355 HE ARG 48 HE ARG 48 -0.905 18.175 2.736
356 HH11 ARG 48 HH11 ARG 48 2.522 17.512 2.352
357 HH12 ARG 48 HH12 ARG 48 2.956 19.176 2.170
358 HH21 ARG 48 HH22 ARG 48 -0.339 20.362 2.473
359 HH22 ARG 48 HH21 ARG 48 1.326 20.807 2.222
360 H THR 49 H THR 49 0.649 16.013 -1.912
361 HA THR 49 HA THR 49 -0.465 18.125 -3.519
362 HB THR 49 HB THR 49 1.771 18.389 -2.594
363 HG1 THR 49 HG1 THR 49 2.258 19.505 -4.309
364 HG21 THR 49 HG21 THR 49 2.549 16.067 -4.362
365 HG22 THR 49 HG22 THR 49 2.451 16.035 -2.602
366 HG23 THR 49 HG23 THR 49 3.652 17.051 -3.400
367 H LYS 50 H LYS 50 -0.484 14.859 -3.791
368 HA LYS 50 HA LYS 50 -0.963 13.381 -5.434
369 HB2 LYS 50 HB3 LYS 50 -1.654 15.800 -7.101
370 HB3 LYS 50 HB2 LYS 50 -2.216 14.155 -7.343
371 HG2 LYS 50 HG3 LYS 50 -2.897 15.921 -5.004
372 HG3 LYS 50 HG2 LYS 50 -3.945 15.547 -6.363
373 HD2 LYS 50 HD3 LYS 50 -3.792 13.147 -5.710
374 HD3 LYS 50 HD2 LYS 50 -2.917 13.652 -4.263
375 HE2 LYS 50 HE3 LYS 50 -5.714 14.467 -5.045
376 HE3 LYS 50 HE2 LYS 50 -5.270 13.337 -3.771
377 HZ1 LYS 50 HZ1 LYS 50 -4.266 15.096 -2.531
378 HZ2 LYS 50 HZ2 LYS 50 -5.827 15.590 -2.968
379 HZ3 LYS 50 HZ3 LYS 50 -4.482 16.202 -3.800
380 H GLN 51 H GLN 51 1.739 14.504 -5.270
381 HA GLN 51 HA GLN 51 2.646 14.312 -8.029
382 HB2 GLN 51 HB3 GLN 51 4.040 15.149 -5.499
383 HB3 GLN 51 HB2 GLN 51 4.914 14.829 -6.991
384 HG2 GLN 51 HG3 GLN 51 3.544 16.543 -8.114
385 HG3 GLN 51 HG2 GLN 51 2.790 16.906 -6.565
386 HE21 GLN 51 HE22 GLN 51 6.161 16.065 -6.926
387 HE22 GLN 51 HE21 GLN 51 6.800 17.630 -6.548
388 H PHE 52 H PHE 52 4.740 13.056 -8.319
389 HA PHE 52 HA PHE 52 4.285 10.407 -7.100
390 HB2 PHE 52 HB3 PHE 52 5.407 10.932 -9.864
391 HB3 PHE 52 HB2 PHE 52 4.882 9.393 -9.196
392 HD1 PHE 52 HD2 PHE 52 3.765 12.616 -10.563
393 HD2 PHE 52 HD1 PHE 52 2.579 8.772 -9.185
394 HE1 PHE 52 HE2 PHE 52 1.533 12.962 -11.539
395 HE2 PHE 52 HE1 PHE 52 0.346 9.107 -10.163
396 HZ PHE 52 HZ PHE 52 -0.178 11.205 -11.340
397 H GLY 53 H GLY 53 5.882 10.025 -5.709
398 HA2 GLY 53 HA3 GLY 53 8.655 10.554 -6.581
399 HA3 GLY 53 HA2 GLY 53 8.111 11.046 -4.983
400 H THR 54 H THR 54 10.256 9.219 -5.549
401 HA THR 54 HA THR 54 9.095 6.656 -4.716
402 HB THR 54 HB THR 54 10.498 6.488 -6.658
403 HG1 THR 54 HG1 THR 54 10.652 4.869 -4.883
404 HG21 THR 54 HG21 THR 54 12.977 6.982 -6.435
405 HG22 THR 54 HG22 THR 54 12.587 7.881 -4.966
406 HG23 THR 54 HG23 THR 54 11.918 8.389 -6.519
407 H PHE 55 H PHE 55 9.709 5.627 -2.841
408 HA PHE 55 HA PHE 55 11.905 6.528 -1.258
409 HB2 PHE 55 HB3 PHE 55 10.601 7.112 0.766
410 HB3 PHE 55 HB2 PHE 55 10.345 8.242 -0.550
411 HD1 PHE 55 HD1 PHE 55 8.181 8.284 -1.744
412 HD2 PHE 55 HD2 PHE 55 8.845 5.775 1.631
413 HE1 PHE 55 HE1 PHE 55 5.754 8.003 -1.477
414 HE2 PHE 55 HE2 PHE 55 6.418 5.488 1.899
415 HZ PHE 55 HZ PHE 55 4.870 6.603 0.345
416 HA PRO 56 HA PRO 56 12.076 2.429 0.208
417 HB2 PRO 56 HB2 PRO 56 11.864 3.359 3.024
418 HB3 PRO 56 HB3 PRO 56 13.107 2.367 2.255
419 HG2 PRO 56 HG3 PRO 56 13.554 4.928 2.861
420 HG3 PRO 56 HG2 PRO 56 14.218 4.194 1.389
421 HD2 PRO 56 HD3 PRO 56 11.922 6.072 1.702
422 HD3 PRO 56 HD2 PRO 56 13.097 5.929 0.380
423 H GLY 57 H GLY 57 10.617 0.834 0.364
424 HA2 GLY 57 HA3 GLY 57 7.931 1.488 1.271
425 HA3 GLY 57 HA2 GLY 57 8.416 0.024 0.436
426 H ASN 58 H ASN 58 10.553 0.672 2.909
427 HA ASN 58 HA ASN 58 9.118 -1.136 4.744
428 HB2 ASN 58 HB3 ASN 58 11.346 -1.878 3.634
429 HB3 ASN 58 HB2 ASN 58 12.107 -0.742 4.740
430 HD21 ASN 58 HD22 ASN 58 12.408 -3.605 4.580
431 HD22 ASN 58 HD21 ASN 58 11.939 -4.233 6.129
432 H TYR 59 H TYR 59 9.001 1.785 4.453
433 HA TYR 59 HA TYR 59 9.882 2.554 7.151
434 HB2 TYR 59 HB3 TYR 59 11.197 3.823 5.654
435 HB3 TYR 59 HB2 TYR 59 9.874 4.027 4.519
436 HD1 TYR 59 HD1 TYR 59 8.202 5.699 4.862
437 HD2 TYR 59 HD2 TYR 59 11.463 5.306 7.550
438 HE1 TYR 59 HE1 TYR 59 7.738 7.966 5.747
439 HE2 TYR 59 HE2 TYR 59 11.013 7.546 8.454
440 HH TYR 59 HH TYR 59 9.937 9.624 7.758
441 H VAL 60 H VAL 60 7.407 1.601 5.375
442 HA VAL 60 HA VAL 60 5.430 3.410 6.579
443 HB VAL 60 HB VAL 60 5.745 3.758 4.131
444 HG11 VAL 60 HG11 VAL 60 4.774 2.033 2.606
445 HG12 VAL 60 HG12 VAL 60 4.850 0.910 3.964
446 HG13 VAL 60 HG13 VAL 60 6.331 1.628 3.329
447 HG21 VAL 60 HG21 VAL 60 3.345 3.610 3.539
448 HG22 VAL 60 HG22 VAL 60 3.682 4.406 5.078
449 HG23 VAL 60 HG23 VAL 60 3.093 2.747 5.055
450 H LYS 61 H LYS 61 3.269 2.349 6.911
451 HA LYS 61 HA LYS 61 3.557 -0.559 7.352
452 HB2 LYS 61 HB3 LYS 61 2.501 -0.415 9.447
453 HB3 LYS 61 HB2 LYS 61 3.648 0.918 9.444
454 HG2 LYS 61 HG3 LYS 61 1.969 2.516 9.158
455 HG3 LYS 61 HG2 LYS 61 0.785 1.308 8.654
456 HD2 LYS 61 HD3 LYS 61 1.962 1.645 11.411
457 HD3 LYS 61 HD2 LYS 61 0.313 2.017 10.911
458 HE2 LYS 61 HE3 LYS 61 0.133 -0.427 10.239
459 HE3 LYS 61 HE2 LYS 61 1.626 -0.672 11.142
460 HZ1 LYS 61 HZ1 LYS 61 0.470 0.330 13.091
461 HZ2 LYS 61 HZ2 LYS 61 -0.176 -1.155 12.586
462 HZ3 LYS 61 HZ3 LYS 61 -0.971 0.286 12.198
463 HA PRO 62 HA PRO 62 -0.306 -1.343 5.312
464 HB2 PRO 62 HB2 PRO 62 -1.709 -2.656 7.322
465 HB3 PRO 62 HB3 PRO 62 -0.577 -3.421 6.200
466 HG2 PRO 62 HG3 PRO 62 -0.109 -2.444 8.989
467 HG3 PRO 62 HG2 PRO 62 0.470 -3.930 8.217
468 HD2 PRO 62 HD3 PRO 62 2.070 -1.855 8.558
469 HD3 PRO 62 HD2 PRO 62 2.131 -2.791 7.044
470 H LEU 63 H LEU 63 -2.276 -0.445 5.039
471 HA LEU 63 HA LEU 63 -2.892 1.985 6.181
472 HB2 LEU 63 HB3 LEU 63 -4.625 -0.001 4.731
473 HB3 LEU 63 HB2 LEU 63 -5.195 1.591 5.197
474 HG LEU 63 HG LEU 63 -2.898 1.001 3.329
475 HD11 LEU 63 HD11 LEU 63 -5.049 0.504 2.327
476 HD12 LEU 63 HD12 LEU 63 -4.384 1.981 1.629
477 HD13 LEU 63 HD13 LEU 63 -5.673 2.075 2.830
478 HD21 LEU 63 HD21 LEU 63 -4.099 3.608 4.237
479 HD22 LEU 63 HD22 LEU 63 -2.929 3.427 2.927
480 HD23 LEU 63 HD23 LEU 63 -2.477 3.003 4.578
481 H TYR 64 H TYR 64 -4.185 2.727 7.755
482 HA TYR 64 HA TYR 64 -4.628 1.253 10.065
483 HB2 TYR 64 HB3 TYR 64 -4.560 3.837 9.575
484 HB3 TYR 64 HB2 TYR 64 -6.302 3.651 9.408
485 HD1 TYR 64 HD1 TYR 64 -3.540 2.787 11.723
486 HD2 TYR 64 HD2 TYR 64 -7.616 3.898 11.307
487 HE1 TYR 64 HE1 TYR 64 -3.737 2.944 14.177
488 HE2 TYR 64 HE2 TYR 64 -7.836 4.056 13.751
489 HH TYR 64 HH TYR 64 -6.712 3.094 15.762
Start of MODEL 4
1 H1 GLN 1 H1 GLN 1 -10.656 -8.471 -13.045
2 H2 GLN 1 H2 GLN 1 -11.222 -8.427 -11.454
3 H3 GLN 1 H3 GLN 1 -10.825 -9.914 -12.169
4 HA GLN 1 HA GLN 1 -8.977 -7.720 -11.446
5 HB2 GLN 1 HB3 GLN 1 -9.369 -10.538 -10.428
6 HB3 GLN 1 HB2 GLN 1 -7.945 -9.574 -10.058
7 HG2 GLN 1 HG3 GLN 1 -10.753 -8.705 -9.420
8 HG3 GLN 1 HG2 GLN 1 -9.727 -9.596 -8.297
9 HE21 GLN 1 HE22 GLN 1 -10.260 -6.561 -9.913
10 HE22 GLN 1 HE21 GLN 1 -9.146 -5.628 -8.964
11 H THR 2 H THR 2 -7.805 -7.404 -13.217
12 HA THR 2 HA THR 2 -7.161 -9.283 -15.190
13 HB THR 2 HB THR 2 -5.399 -6.943 -14.525
14 HG1 THR 2 HG1 THR 2 -6.910 -5.577 -15.309
15 HG21 THR 2 HG21 THR 2 -6.356 -8.020 -17.175
16 HG22 THR 2 HG22 THR 2 -4.859 -8.528 -16.397
17 HG23 THR 2 HG23 THR 2 -5.067 -6.848 -16.894
18 H SER 3 H SER 3 -5.436 -8.276 -12.287
19 HA SER 3 HA SER 3 -3.919 -10.735 -12.273
20 HB2 SER 3 HB3 SER 3 -2.481 -8.066 -12.379
21 HB3 SER 3 HB2 SER 3 -1.723 -9.645 -12.150
22 HG SER 3 HG SER 3 -3.218 -9.819 -14.313
23 H GLN 4 H GLN 4 -2.218 -10.385 -10.249
24 HA GLN 4 HA GLN 4 -3.930 -9.822 -8.022
25 HB2 GLN 4 HB3 GLN 4 -2.424 -11.714 -7.894
26 HB3 GLN 4 HB2 GLN 4 -1.038 -10.679 -8.205
27 HG2 GLN 4 HG3 GLN 4 -1.081 -11.193 -5.884
28 HG3 GLN 4 HG2 GLN 4 -1.507 -9.499 -6.101
29 HE21 GLN 4 HE22 GLN 4 -2.045 -11.296 -3.876
30 HE22 GLN 4 HE21 GLN 4 -3.767 -11.286 -3.664
31 H ASP 5 H ASP 5 -4.312 -7.752 -7.584
32 HA ASP 5 HA ASP 5 -2.430 -5.691 -8.227
33 HB2 ASP 5 HB3 ASP 5 -4.903 -5.390 -8.430
34 HB3 ASP 5 HB2 ASP 5 -4.997 -5.449 -6.676
35 H LEU 6 H LEU 6 -1.668 -4.128 -6.719
36 HA LEU 6 HA LEU 6 -0.573 -5.440 -4.387
37 HB2 LEU 6 HB3 LEU 6 0.013 -2.864 -5.799
38 HB3 LEU 6 HB2 LEU 6 0.734 -3.262 -4.253
39 HG LEU 6 HG LEU 6 1.013 -4.851 -6.789
40 HD11 LEU 6 HD11 LEU 6 3.183 -3.431 -5.291
41 HD12 LEU 6 HD12 LEU 6 2.198 -2.597 -6.488
42 HD13 LEU 6 HD13 LEU 6 3.174 -3.988 -6.966
43 HD21 LEU 6 HD21 LEU 6 2.758 -6.068 -5.402
44 HD22 LEU 6 HD22 LEU 6 1.067 -6.401 -5.014
45 HD23 LEU 6 HD23 LEU 6 2.004 -5.316 -3.995
46 H PHE 7 H PHE 7 -0.102 -3.248 -2.751
47 HA PHE 7 HA PHE 7 -2.826 -2.573 -1.860
48 HB2 PHE 7 HB3 PHE 7 -0.470 -3.242 -0.084
49 HB3 PHE 7 HB2 PHE 7 -2.103 -2.889 0.444
50 HD1 PHE 7 HD2 PHE 7 -3.928 -4.486 -0.760
51 HD2 PHE 7 HD1 PHE 7 0.157 -5.409 -0.054
52 HE1 PHE 7 HE2 PHE 7 -4.459 -6.886 -0.870
53 HE2 PHE 7 HE1 PHE 7 -0.355 -7.817 -0.171
54 HZ PHE 7 HZ PHE 7 -2.672 -8.558 -0.578
55 H SER 8 H SER 8 -2.861 -0.720 -0.361
56 HA SER 8 HA SER 8 -0.842 1.304 -1.036
57 HB2 SER 8 HB3 SER 8 -3.494 1.771 0.302
58 HB3 SER 8 HB2 SER 8 -2.477 2.947 -0.517
59 HG SER 8 HG SER 8 -3.071 2.152 -2.467
60 H TYR 9 H TYR 9 0.174 2.443 0.655
61 HA TYR 9 HA TYR 9 -0.170 1.204 3.309
62 HB2 TYR 9 HB3 TYR 9 2.455 2.199 2.145
63 HB3 TYR 9 HB2 TYR 9 2.215 1.511 3.736
64 HD1 TYR 9 HD2 TYR 9 1.779 0.603 0.125
65 HD2 TYR 9 HD1 TYR 9 2.615 -0.684 4.079
66 HE1 TYR 9 HE2 TYR 9 2.253 -1.659 -0.723
67 HE2 TYR 9 HE1 TYR 9 3.093 -2.956 3.256
68 HH TYR 9 HH TYR 9 2.682 -4.366 1.402
69 H GLN 10 H GLN 10 0.110 2.553 5.111
70 HA GLN 10 HA GLN 10 -0.172 5.435 4.528
71 HB2 GLN 10 HB3 GLN 10 -2.070 4.185 5.695
72 HB3 GLN 10 HB2 GLN 10 -0.986 4.005 7.064
73 HG2 GLN 10 HG3 GLN 10 -0.884 6.375 7.382
74 HG3 GLN 10 HG2 GLN 10 -1.774 6.651 5.884
75 HE21 GLN 10 HE22 GLN 10 -3.394 7.793 6.945
76 HE22 GLN 10 HE21 GLN 10 -4.562 7.010 7.954
77 H ALA 11 H ALA 11 1.353 6.781 5.318
78 HA ALA 11 HA ALA 11 3.758 5.538 6.275
79 HB1 ALA 11 HB1 ALA 11 4.849 7.476 5.691
80 HB2 ALA 11 HB2 ALA 11 3.439 8.483 5.990
81 HB3 ALA 11 HB3 ALA 11 3.494 7.449 4.561
82 H LEU 12 H LEU 12 4.777 5.781 8.156
83 HA LEU 12 HA LEU 12 3.207 6.058 10.474
84 HB2 LEU 12 HB3 LEU 12 6.219 6.156 10.308
85 HB3 LEU 12 HB2 LEU 12 5.242 5.627 11.667
86 HG LEU 12 HG LEU 12 5.188 4.185 9.030
87 HD11 LEU 12 HD11 LEU 12 7.069 3.770 11.343
88 HD12 LEU 12 HD12 LEU 12 7.480 4.227 9.687
89 HD13 LEU 12 HD13 LEU 12 6.825 2.622 10.023
90 HD21 LEU 12 HD21 LEU 12 4.488 3.395 11.855
91 HD22 LEU 12 HD22 LEU 12 4.504 2.297 10.476
92 HD23 LEU 12 HD23 LEU 12 3.371 3.644 10.511
93 H TYR 13 H TYR 13 5.646 8.151 8.993
94 HA TYR 13 HA TYR 13 4.475 10.456 10.230
95 HB2 TYR 13 HB3 TYR 13 6.531 11.287 11.285
96 HB3 TYR 13 HB2 TYR 13 5.984 9.798 12.028
97 HD1 TYR 13 HD1 TYR 13 7.229 7.671 11.565
98 HD2 TYR 13 HD2 TYR 13 8.668 11.463 10.288
99 HE1 TYR 13 HE1 TYR 13 9.478 6.719 11.290
100 HE2 TYR 13 HE2 TYR 13 10.919 10.520 10.001
101 HH TYR 13 HH TYR 13 12.250 8.674 10.790
102 H SER 14 H SER 14 6.095 12.416 9.624
103 HA SER 14 HA SER 14 5.933 12.401 6.761
104 HB2 SER 14 HB3 SER 14 7.095 14.642 8.403
105 HB3 SER 14 HB2 SER 14 6.184 14.726 6.894
106 HG SER 14 HG SER 14 5.203 15.068 9.240
107 H TYR 15 H TYR 15 7.522 12.527 5.273
108 HA TYR 15 HA TYR 15 10.310 12.228 6.169
109 HB2 TYR 15 HB3 TYR 15 9.590 10.033 5.548
110 HB3 TYR 15 HB2 TYR 15 8.781 10.625 4.123
111 HD1 TYR 15 HD1 TYR 15 10.003 11.130 2.113
112 HD2 TYR 15 HD2 TYR 15 12.003 9.651 5.549
113 HE1 TYR 15 HE1 TYR 15 11.940 10.546 0.715
114 HE2 TYR 15 HE2 TYR 15 13.959 9.073 4.175
115 HH TYR 15 HH TYR 15 14.237 10.062 0.838
116 H ILE 16 H ILE 16 11.816 13.281 4.944
117 HA ILE 16 HA ILE 16 10.733 15.158 2.952
118 HB ILE 16 HB ILE 16 13.244 15.368 4.621
119 HG12 ILE 16 HG13 ILE 16 11.211 15.651 5.953
120 HG13 ILE 16 HG12 ILE 16 12.064 17.172 5.775
121 HG21 ILE 16 HG21 ILE 16 12.017 17.518 2.920
122 HG22 ILE 16 HG22 ILE 16 13.280 16.440 2.333
123 HG23 ILE 16 HG23 ILE 16 13.603 17.512 3.696
124 HD11 ILE 16 HD11 ILE 16 10.484 18.069 4.386
125 HD12 ILE 16 HD12 ILE 16 9.508 17.119 5.510
126 HD13 ILE 16 HD13 ILE 16 9.888 16.487 3.909
127 HA PRO 17 HA PRO 17 12.846 12.879 -0.201
128 HB2 PRO 17 HB2 PRO 17 13.013 15.482 -1.593
129 HB3 PRO 17 HB3 PRO 17 12.264 13.971 -2.114
130 HG2 PRO 17 HG3 PRO 17 10.812 16.099 -1.328
131 HG3 PRO 17 HG2 PRO 17 10.280 14.432 -1.056
132 HD2 PRO 17 HD3 PRO 17 11.404 16.400 0.865
133 HD3 PRO 17 HD2 PRO 17 10.218 15.117 1.128
134 H GLN 18 H GLN 18 14.900 12.342 -0.382
135 HA GLN 18 HA GLN 18 17.026 14.194 0.328
136 HB2 GLN 18 HB3 GLN 18 17.243 11.409 -0.836
137 HB3 GLN 18 HB2 GLN 18 18.504 12.307 -0.007
138 HG2 GLN 18 HG3 GLN 18 17.428 12.073 2.079
139 HG3 GLN 18 HG2 GLN 18 15.948 11.470 1.330
140 HE21 GLN 18 HE22 GLN 18 17.347 9.774 -0.556
141 HE22 GLN 18 HE21 GLN 18 17.977 8.435 0.346
142 H ASN 19 H ASN 19 15.599 12.656 -2.438
143 HA ASN 19 HA ASN 19 17.218 14.321 -4.243
144 HB2 ASN 19 HB3 ASN 19 16.382 11.434 -4.542
145 HB3 ASN 19 HB2 ASN 19 16.954 12.407 -5.893
146 HD21 ASN 19 HD22 ASN 19 18.078 10.001 -4.613
147 HD22 ASN 19 HD21 ASN 19 19.690 10.433 -4.145
148 H ASP 20 H ASP 20 16.132 14.614 -6.396
149 HA ASP 20 HA ASP 20 13.465 15.577 -5.864
150 HB2 ASP 20 HB3 ASP 20 15.306 15.813 -8.236
151 HB3 ASP 20 HB2 ASP 20 13.639 16.371 -8.302
152 H ASP 21 H ASP 21 14.717 12.683 -6.961
153 HA ASP 21 HA ASP 21 12.376 11.974 -8.531
154 HB2 ASP 21 HB3 ASP 21 13.388 9.671 -8.520
155 HB3 ASP 21 HB2 ASP 21 14.418 10.910 -9.229
156 H GLU 22 H GLU 22 13.265 12.169 -5.313
157 HA GLU 22 HA GLU 22 11.566 10.043 -4.348
158 HB2 GLU 22 HB3 GLU 22 13.360 12.074 -3.078
159 HB3 GLU 22 HB2 GLU 22 12.185 11.208 -2.098
160 HG2 GLU 22 HG3 GLU 22 13.184 9.127 -2.561
161 HG3 GLU 22 HG2 GLU 22 14.174 9.801 -3.856
162 H LEU 23 H LEU 23 10.113 10.705 -2.451
163 HA LEU 23 HA LEU 23 8.279 12.750 -3.508
164 HB2 LEU 23 HB3 LEU 23 7.565 10.359 -3.570
165 HB3 LEU 23 HB2 LEU 23 7.682 10.322 -1.825
166 HG LEU 23 HG LEU 23 5.844 11.833 -1.591
167 HD11 LEU 23 HD11 LEU 23 4.671 12.783 -3.507
168 HD12 LEU 23 HD12 LEU 23 5.839 12.043 -4.599
169 HD13 LEU 23 HD13 LEU 23 6.354 13.314 -3.488
170 HD21 LEU 23 HD21 LEU 23 4.095 10.545 -2.891
171 HD22 LEU 23 HD22 LEU 23 5.161 9.598 -1.845
172 HD23 LEU 23 HD23 LEU 23 5.452 9.649 -3.582
173 H GLU 24 H GLU 24 7.607 14.369 -2.143
174 HA GLU 24 HA GLU 24 8.654 14.481 0.529
175 HB2 GLU 24 HB3 GLU 24 8.002 16.474 -1.052
176 HB3 GLU 24 HB2 GLU 24 6.384 16.209 -0.407
177 HG2 GLU 24 HG3 GLU 24 7.720 16.244 1.886
178 HG3 GLU 24 HG2 GLU 24 8.821 17.219 0.920
179 H LEU 25 H LEU 25 7.790 13.463 2.175
180 HA LEU 25 HA LEU 25 5.142 12.259 1.781
181 HB2 LEU 25 HB3 LEU 25 7.077 10.741 1.623
182 HB3 LEU 25 HB2 LEU 25 7.570 11.214 3.230
183 HG LEU 25 HG LEU 25 6.413 8.965 2.924
184 HD11 LEU 25 HD11 LEU 25 5.079 9.294 5.041
185 HD12 LEU 25 HD12 LEU 25 5.601 10.975 4.968
186 HD13 LEU 25 HD13 LEU 25 6.794 9.693 5.098
187 HD21 LEU 25 HD21 LEU 25 3.876 9.232 3.155
188 HD22 LEU 25 HD22 LEU 25 4.594 9.434 1.553
189 HD23 LEU 25 HD23 LEU 25 4.141 10.849 2.497
190 H ARG 26 H ARG 26 3.665 12.451 3.395
191 HA ARG 26 HA ARG 26 4.529 13.935 5.783
192 HB2 ARG 26 HB3 ARG 26 1.891 14.071 4.318
193 HB3 ARG 26 HB2 ARG 26 2.221 14.864 5.852
194 HG2 ARG 26 HG3 ARG 26 3.677 15.377 3.269
195 HG3 ARG 26 HG2 ARG 26 2.423 16.401 3.973
196 HD2 ARG 26 HD3 ARG 26 3.789 16.830 5.896
197 HD3 ARG 26 HD2 ARG 26 5.011 15.693 5.334
198 HE ARG 26 HE ARG 26 4.969 17.424 3.308
199 HH11 ARG 26 HH11 ARG 26 4.957 18.011 6.760
200 HH12 ARG 26 HH12 ARG 26 5.914 19.464 6.646
201 HH21 ARG 26 HH22 ARG 26 6.196 19.326 3.146
202 HH22 ARG 26 HH21 ARG 26 6.598 20.225 4.582
203 H ASP 27 H ASP 27 3.309 13.529 7.735
204 HA ASP 27 HA ASP 27 3.103 10.817 8.333
205 HB2 ASP 27 HB3 ASP 27 2.098 11.484 10.453
206 HB3 ASP 27 HB2 ASP 27 3.465 12.506 10.048
207 H GLY 28 H GLY 28 1.564 9.365 8.381
208 HA2 GLY 28 HA3 GLY 28 -0.405 8.290 7.968
209 HA3 GLY 28 HA2 GLY 28 -1.217 9.785 8.386
210 H ASP 29 H ASP 29 1.053 9.678 5.785
211 HA ASP 29 HA ASP 29 -1.066 10.215 3.860
212 HB2 ASP 29 HB3 ASP 29 0.973 11.619 3.866
213 HB3 ASP 29 HB2 ASP 29 1.938 10.188 3.509
214 H ILE 30 H ILE 30 -1.314 8.963 1.916
215 HA ILE 30 HA ILE 30 -0.612 6.157 2.406
216 HB ILE 30 HB ILE 30 -2.744 7.349 0.614
217 HG12 ILE 30 HG13 ILE 30 -4.273 6.088 2.155
218 HG13 ILE 30 HG12 ILE 30 -2.893 5.774 3.188
219 HG21 ILE 30 HG21 ILE 30 -2.249 4.430 1.162
220 HG22 ILE 30 HG22 ILE 30 -1.711 5.257 -0.296
221 HG23 ILE 30 HG23 ILE 30 -3.434 5.130 0.059
222 HD11 ILE 30 HD11 ILE 30 -4.329 7.617 3.960
223 HD12 ILE 30 HD12 ILE 30 -3.909 8.515 2.499
224 HD13 ILE 30 HD13 ILE 30 -2.654 8.093 3.669
225 H VAL 31 H VAL 31 0.537 4.988 0.941
226 HA VAL 31 HA VAL 31 1.419 6.431 -1.463
227 HB VAL 31 HB VAL 31 3.315 6.215 -0.049
228 HG11 VAL 31 HG11 VAL 31 2.692 3.275 0.136
229 HG12 VAL 31 HG12 VAL 31 2.536 4.459 1.434
230 HG13 VAL 31 HG13 VAL 31 4.127 4.059 0.790
231 HG21 VAL 31 HG21 VAL 31 3.440 4.089 -2.179
232 HG22 VAL 31 HG22 VAL 31 4.827 4.865 -1.415
233 HG23 VAL 31 HG23 VAL 31 3.726 5.813 -2.414
234 H ASP 32 H ASP 32 1.040 5.564 -3.308
235 HA ASP 32 HA ASP 32 0.383 2.707 -3.502
236 HB2 ASP 32 HB3 ASP 32 -0.630 5.068 -5.079
237 HB3 ASP 32 HB2 ASP 32 -0.731 3.428 -5.713
238 H VAL 33 H VAL 33 1.814 1.528 -4.570
239 HA VAL 33 HA VAL 33 4.163 2.844 -5.498
240 HB VAL 33 HB VAL 33 4.929 1.031 -4.489
241 HG11 VAL 33 HG11 VAL 33 2.310 -0.225 -5.125
242 HG12 VAL 33 HG12 VAL 33 3.061 0.151 -3.569
243 HG13 VAL 33 HG13 VAL 33 3.660 -1.199 -4.531
244 HG21 VAL 33 HG21 VAL 33 4.316 -0.119 -7.197
245 HG22 VAL 33 HG22 VAL 33 5.337 -0.918 -5.999
246 HG23 VAL 33 HG23 VAL 33 5.807 0.653 -6.647
247 H MET 34 H MET 34 4.627 3.506 -7.339
248 HA MET 34 HA MET 34 3.029 2.902 -9.664
249 HB2 MET 34 HB3 MET 34 5.432 4.695 -9.225
250 HB3 MET 34 HB2 MET 34 4.635 4.511 -10.783
251 HG2 MET 34 HG3 MET 34 3.283 5.489 -8.278
252 HG3 MET 34 HG2 MET 34 3.957 6.533 -9.527
253 HE1 MET 34 HE1 MET 34 3.246 4.944 -12.174
254 HE2 MET 34 HE2 MET 34 3.015 6.684 -11.997
255 HE3 MET 34 HE3 MET 34 1.703 5.678 -12.606
256 H GLU 35 H GLU 35 6.304 2.311 -8.489
257 HA GLU 35 HA GLU 35 6.410 -0.060 -10.145
258 HB2 GLU 35 HB3 GLU 35 7.689 2.266 -11.071
259 HB3 GLU 35 HB2 GLU 35 8.962 1.227 -10.440
260 HG2 GLU 35 HG3 GLU 35 6.867 0.324 -12.387
261 HG3 GLU 35 HG2 GLU 35 8.461 0.899 -12.862
262 H LYS 36 H LYS 36 8.139 -1.440 -9.641
263 HA LYS 36 HA LYS 36 8.600 -1.313 -6.725
264 HB2 LYS 36 HB3 LYS 36 8.616 -3.761 -8.482
265 HB3 LYS 36 HB2 LYS 36 8.544 -3.705 -6.729
266 HG2 LYS 36 HG3 LYS 36 6.322 -3.125 -6.699
267 HG3 LYS 36 HG2 LYS 36 6.373 -2.433 -8.321
268 HD2 LYS 36 HD3 LYS 36 6.596 -5.375 -7.679
269 HD3 LYS 36 HD2 LYS 36 5.132 -4.567 -8.245
270 HE2 LYS 36 HE3 LYS 36 6.351 -3.884 -10.287
271 HE3 LYS 36 HE2 LYS 36 7.749 -4.796 -9.727
272 HZ1 LYS 36 HZ1 LYS 36 5.077 -5.954 -10.311
273 HZ2 LYS 36 HZ2 LYS 36 6.462 -6.815 -9.845
274 HZ3 LYS 36 HZ3 LYS 36 6.427 -6.022 -11.338
275 H CYS 37 H CYS 37 10.629 -1.266 -5.948
276 HA CYS 37 HA CYS 37 12.822 -2.239 -7.657
277 HB2 CYS 37 HB3 CYS 37 13.007 -0.616 -5.102
278 HB3 CYS 37 HB2 CYS 37 14.331 -1.020 -6.189
279 HG CYS 37 HG CYS 37 12.469 0.421 -8.222
280 H ASP 38 H ASP 38 14.017 -3.960 -7.013
281 HA ASP 38 HA ASP 38 12.734 -5.871 -5.395
282 HB2 ASP 38 HB3 ASP 38 15.522 -5.813 -6.540
283 HB3 ASP 38 HB2 ASP 38 14.807 -7.223 -5.765
284 H ASP 39 H ASP 39 14.978 -3.411 -4.612
285 HA ASP 39 HA ASP 39 16.115 -4.550 -2.271
286 HB2 ASP 39 HB3 ASP 39 15.732 -1.656 -3.050
287 HB3 ASP 39 HB2 ASP 39 16.682 -2.198 -1.673
288 H GLY 40 H GLY 40 12.991 -3.420 -2.934
289 HA2 GLY 40 HA3 GLY 40 11.231 -3.653 -1.316
290 HA3 GLY 40 HA2 GLY 40 12.400 -3.291 -0.050
291 H TRP 41 H TRP 41 12.658 -1.391 -2.841
292 HA TRP 41 HA TRP 41 11.333 0.863 -1.491
293 HB2 TRP 41 HB3 TRP 41 13.475 0.821 -3.637
294 HB3 TRP 41 HB2 TRP 41 12.695 2.279 -3.047
295 HD1 TRP 41 HD1 TRP 41 14.144 -0.610 -0.924
296 HE1 TRP 41 HE1 TRP 41 15.944 0.371 0.641
297 HE3 TRP 41 HE3 TRP 41 14.113 4.207 -2.603
298 HZ2 TRP 41 HZ2 TRP 41 17.184 2.866 1.092
299 HZ3 TRP 41 HZ3 TRP 41 15.639 5.832 -1.561
300 HH2 TRP 41 HH2 TRP 41 17.141 5.176 0.247
301 H PHE 42 H PHE 42 9.622 1.862 -2.558
302 HA PHE 42 HA PHE 42 9.117 0.934 -5.298
303 HB2 PHE 42 HB3 PHE 42 6.829 1.666 -3.472
304 HB3 PHE 42 HB2 PHE 42 6.832 0.685 -4.918
305 HD1 PHE 42 HD1 PHE 42 8.415 -1.462 -4.711
306 HD2 PHE 42 HD2 PHE 42 6.530 0.558 -1.486
307 HE1 PHE 42 HE1 PHE 42 8.537 -3.520 -3.365
308 HE2 PHE 42 HE2 PHE 42 6.656 -1.488 -0.124
309 HZ PHE 42 HZ PHE 42 7.660 -3.530 -1.064
310 H VAL 43 H VAL 43 7.836 2.434 -6.601
311 HA VAL 43 HA VAL 43 8.324 5.241 -5.920
312 HB VAL 43 HB VAL 43 6.708 4.374 -8.282
313 HG11 VAL 43 HG11 VAL 43 8.577 6.656 -7.731
314 HG12 VAL 43 HG12 VAL 43 6.831 6.705 -7.993
315 HG13 VAL 43 HG13 VAL 43 7.913 6.307 -9.327
316 HG21 VAL 43 HG21 VAL 43 8.924 4.294 -9.559
317 HG22 VAL 43 HG22 VAL 43 8.483 2.892 -8.583
318 HG23 VAL 43 HG23 VAL 43 9.658 4.048 -7.978
319 H GLY 44 H GLY 44 6.411 6.730 -5.940
320 HA2 GLY 44 HA3 GLY 44 3.876 5.444 -5.372
321 HA3 GLY 44 HA2 GLY 44 4.690 6.096 -3.960
322 H THR 45 H THR 45 2.141 6.850 -5.091
323 HA THR 45 HA THR 45 2.768 9.664 -5.671
324 HB THR 45 HB THR 45 0.077 8.322 -6.032
325 HG1 THR 45 HG1 THR 45 2.237 7.804 -7.405
326 HG21 THR 45 HG21 THR 45 1.191 10.798 -7.358
327 HG22 THR 45 HG22 THR 45 0.245 10.848 -5.869
328 HG23 THR 45 HG23 THR 45 -0.478 10.230 -7.356
329 H SER 46 H SER 46 2.289 11.139 -4.156
330 HA SER 46 HA SER 46 1.348 10.252 -1.593
331 HB2 SER 46 HB3 SER 46 3.129 11.861 -1.649
332 HB3 SER 46 HB2 SER 46 2.170 12.951 -2.642
333 HG SER 46 HG SER 46 1.698 12.201 0.062
334 H ARG 47 H ARG 47 -0.608 10.465 -0.730
335 HA ARG 47 HA ARG 47 -2.783 11.325 -2.366
336 HB2 ARG 47 HB3 ARG 47 -2.507 10.142 0.362
337 HB3 ARG 47 HB2 ARG 47 -4.049 10.814 -0.143
338 HG2 ARG 47 HG3 ARG 47 -3.874 8.380 -0.479
339 HG3 ARG 47 HG2 ARG 47 -4.181 9.269 -1.970
340 HD2 ARG 47 HD3 ARG 47 -1.594 9.208 -2.208
341 HD3 ARG 47 HD2 ARG 47 -1.708 7.882 -1.057
342 HE ARG 47 HE ARG 47 -2.680 6.552 -2.677
343 HH11 ARG 47 HH11 ARG 47 -2.394 9.843 -3.833
344 HH12 ARG 47 HH12 ARG 47 -2.689 9.426 -5.493
345 HH21 ARG 47 HH22 ARG 47 -3.017 5.981 -4.842
346 HH22 ARG 47 HH21 ARG 47 -3.029 7.212 -6.081
347 H ARG 48 H ARG 48 -0.771 12.743 -0.046
348 HA ARG 48 HA ARG 48 -2.617 14.878 0.608
349 HB2 ARG 48 HB3 ARG 48 0.239 14.322 1.358
350 HB3 ARG 48 HB2 ARG 48 -0.582 15.807 1.816
351 HG2 ARG 48 HG3 ARG 48 -2.332 14.300 2.898
352 HG3 ARG 48 HG2 ARG 48 -1.151 13.011 2.703
353 HD2 ARG 48 HD3 ARG 48 0.486 14.285 3.946
354 HD3 ARG 48 HD2 ARG 48 -0.671 15.590 4.111
355 HE ARG 48 HE ARG 48 -0.941 12.953 5.376
356 HH11 ARG 48 HH11 ARG 48 -1.606 16.382 5.267
357 HH12 ARG 48 HH12 ARG 48 -2.348 16.422 6.839
358 HH21 ARG 48 HH22 ARG 48 -1.891 12.997 7.453
359 HH22 ARG 48 HH21 ARG 48 -2.507 14.488 8.080
360 H THR 49 H THR 49 0.681 14.803 -0.775
361 HA THR 49 HA THR 49 0.332 17.544 -1.626
362 HB THR 49 HB THR 49 2.433 16.703 -0.550
363 HG1 THR 49 HG1 THR 49 2.443 18.028 -3.058
364 HG21 THR 49 HG21 THR 49 2.891 15.436 -3.246
365 HG22 THR 49 HG22 THR 49 2.605 14.575 -1.734
366 HG23 THR 49 HG23 THR 49 4.067 15.542 -1.935
367 H LYS 50 H LYS 50 -0.387 14.615 -2.952
368 HA LYS 50 HA LYS 50 -1.031 13.889 -4.999
369 HB2 LYS 50 HB3 LYS 50 -1.167 16.833 -5.649
370 HB3 LYS 50 HB2 LYS 50 -1.963 15.540 -6.535
371 HG2 LYS 50 HG3 LYS 50 -2.530 16.385 -3.702
372 HG3 LYS 50 HG2 LYS 50 -3.540 16.693 -5.108
373 HD2 LYS 50 HD3 LYS 50 -3.761 14.222 -5.387
374 HD3 LYS 50 HD2 LYS 50 -2.907 14.023 -3.857
375 HE2 LYS 50 HE3 LYS 50 -4.660 15.381 -2.754
376 HE3 LYS 50 HE2 LYS 50 -5.532 15.453 -4.282
377 HZ1 LYS 50 HZ1 LYS 50 -5.011 13.080 -2.592
378 HZ2 LYS 50 HZ2 LYS 50 -5.519 12.946 -4.204
379 HZ3 LYS 50 HZ3 LYS 50 -6.505 13.722 -3.064
380 H GLN 51 H GLN 51 1.799 14.246 -4.530
381 HA GLN 51 HA GLN 51 2.760 14.676 -7.266
382 HB2 GLN 51 HB3 GLN 51 4.242 14.811 -4.627
383 HB3 GLN 51 HB2 GLN 51 5.003 14.950 -6.203
384 HG2 GLN 51 HG3 GLN 51 2.772 16.790 -5.662
385 HG3 GLN 51 HG2 GLN 51 4.247 17.050 -4.735
386 HE21 GLN 51 HE22 GLN 51 4.247 15.761 -7.989
387 HE22 GLN 51 HE21 GLN 51 4.986 17.136 -8.735
388 H PHE 52 H PHE 52 4.514 13.153 -7.940
389 HA PHE 52 HA PHE 52 4.147 10.550 -6.643
390 HB2 PHE 52 HB3 PHE 52 3.920 9.459 -8.626
391 HB3 PHE 52 HB2 PHE 52 3.214 10.999 -9.068
392 HD1 PHE 52 HD1 PHE 52 6.040 8.774 -9.445
393 HD2 PHE 52 HD2 PHE 52 4.331 12.465 -10.652
394 HE1 PHE 52 HE1 PHE 52 7.628 8.879 -11.336
395 HE2 PHE 52 HE2 PHE 52 5.909 12.590 -12.536
396 HZ PHE 52 HZ PHE 52 7.559 10.797 -12.880
397 H GLY 53 H GLY 53 5.818 9.908 -5.617
398 HA2 GLY 53 HA3 GLY 53 8.516 10.446 -6.675
399 HA3 GLY 53 HA2 GLY 53 8.117 10.879 -5.016
400 H THR 54 H THR 54 10.160 9.022 -5.817
401 HA THR 54 HA THR 54 9.025 6.474 -4.885
402 HB THR 54 HB THR 54 10.356 6.280 -6.900
403 HG1 THR 54 HG1 THR 54 10.550 4.697 -5.049
404 HG21 THR 54 HG21 THR 54 12.838 6.730 -6.778
405 HG22 THR 54 HG22 THR 54 12.533 7.615 -5.282
406 HG23 THR 54 HG23 THR 54 11.808 8.161 -6.794
407 H PHE 55 H PHE 55 9.795 5.460 -3.020
408 HA PHE 55 HA PHE 55 12.031 6.451 -1.561
409 HB2 PHE 55 HB3 PHE 55 10.846 7.161 0.472
410 HB3 PHE 55 HB2 PHE 55 10.438 8.184 -0.895
411 HD1 PHE 55 HD1 PHE 55 8.188 8.054 -1.911
412 HD2 PHE 55 HD2 PHE 55 9.220 5.822 1.564
413 HE1 PHE 55 HE1 PHE 55 5.801 7.690 -1.437
414 HE2 PHE 55 HE2 PHE 55 6.836 5.453 2.040
415 HZ PHE 55 HZ PHE 55 5.124 6.387 0.540
416 HA PRO 56 HA PRO 56 12.198 2.434 0.174
417 HB2 PRO 56 HB2 PRO 56 11.985 3.463 2.948
418 HB3 PRO 56 HB3 PRO 56 13.252 2.484 2.204
419 HG2 PRO 56 HG3 PRO 56 13.613 5.088 2.745
420 HG3 PRO 56 HG2 PRO 56 14.337 4.313 1.325
421 HD2 PRO 56 HD3 PRO 56 11.998 6.147 1.496
422 HD3 PRO 56 HD2 PRO 56 13.204 5.968 0.208
423 H GLY 57 H GLY 57 10.697 0.888 0.350
424 HA2 GLY 57 HA3 GLY 57 8.041 1.560 1.298
425 HA3 GLY 57 HA2 GLY 57 8.542 0.036 0.579
426 H ASN 58 H ASN 58 10.851 0.554 2.746
427 HA ASN 58 HA ASN 58 9.544 -1.146 4.736
428 HB2 ASN 58 HB3 ASN 58 12.479 -0.407 4.533
429 HB3 ASN 58 HB2 ASN 58 11.778 -1.645 5.569
430 HD21 ASN 58 HD22 ASN 58 12.945 -0.868 2.454
431 HD22 ASN 58 HD21 ASN 58 12.730 -2.425 1.741
432 H TYR 59 H TYR 59 9.045 1.720 4.430
433 HA TYR 59 HA TYR 59 9.838 2.619 7.110
434 HB2 TYR 59 HB3 TYR 59 11.246 3.899 5.750
435 HB3 TYR 59 HB2 TYR 59 10.071 3.989 4.446
436 HD1 TYR 59 HD1 TYR 59 8.323 5.622 4.468
437 HD2 TYR 59 HD2 TYR 59 11.184 5.465 7.601
438 HE1 TYR 59 HE1 TYR 59 7.633 7.879 5.204
439 HE2 TYR 59 HE2 TYR 59 10.504 7.701 8.357
440 HH TYR 59 HH TYR 59 7.683 9.254 7.214
441 H VAL 60 H VAL 60 7.451 1.743 5.064
442 HA VAL 60 HA VAL 60 5.463 3.532 6.282
443 HB VAL 60 HB VAL 60 5.837 3.924 3.833
444 HG11 VAL 60 HG11 VAL 60 4.841 2.241 2.270
445 HG12 VAL 60 HG12 VAL 60 4.879 1.101 3.616
446 HG13 VAL 60 HG13 VAL 60 6.376 1.796 3.010
447 HG21 VAL 60 HG21 VAL 60 3.405 3.770 3.209
448 HG22 VAL 60 HG22 VAL 60 3.789 4.656 4.685
449 HG23 VAL 60 HG23 VAL 60 3.160 3.017 4.782
450 H LYS 61 H LYS 61 3.295 2.472 6.566
451 HA LYS 61 HA LYS 61 3.580 -0.445 6.852
452 HB2 LYS 61 HB3 LYS 61 2.509 -0.433 8.956
453 HB3 LYS 61 HB2 LYS 61 3.698 0.861 9.033
454 HG2 LYS 61 HG3 LYS 61 2.036 2.528 8.810
455 HG3 LYS 61 HG2 LYS 61 0.809 1.338 8.374
456 HD2 LYS 61 HD3 LYS 61 2.207 1.473 11.035
457 HD3 LYS 61 HD2 LYS 61 0.599 2.120 10.710
458 HE2 LYS 61 HE3 LYS 61 1.338 -0.755 10.237
459 HE3 LYS 61 HE2 LYS 61 0.710 -0.175 11.779
460 HZ1 LYS 61 HZ1 LYS 61 -0.987 -1.124 10.263
461 HZ2 LYS 61 HZ2 LYS 61 -0.710 0.161 9.190
462 HZ3 LYS 61 HZ3 LYS 61 -1.317 0.466 10.747
463 HA PRO 62 HA PRO 62 -0.253 -1.159 4.742
464 HB2 PRO 62 HB2 PRO 62 -1.566 -2.663 6.700
465 HB3 PRO 62 HB3 PRO 62 -0.489 -3.300 5.453
466 HG2 PRO 62 HG3 PRO 62 0.108 -2.602 8.294
467 HG3 PRO 62 HG2 PRO 62 0.684 -3.976 7.339
468 HD2 PRO 62 HD3 PRO 62 2.270 -1.919 7.806
469 HD3 PRO 62 HD2 PRO 62 2.240 -2.671 6.194
470 H LEU 63 H LEU 63 -2.205 -0.211 4.559
471 HA LEU 63 HA LEU 63 -2.865 2.062 5.948
472 HB2 LEU 63 HB3 LEU 63 -4.598 0.202 4.343
473 HB3 LEU 63 HB2 LEU 63 -5.159 1.748 4.950
474 HG LEU 63 HG LEU 63 -2.886 1.336 3.006
475 HD11 LEU 63 HD11 LEU 63 -5.077 0.913 2.015
476 HD12 LEU 63 HD12 LEU 63 -4.392 2.419 1.406
477 HD13 LEU 63 HD13 LEU 63 -5.663 2.459 2.626
478 HD21 LEU 63 HD21 LEU 63 -4.105 3.847 4.129
479 HD22 LEU 63 HD22 LEU 63 -2.926 3.777 2.817
480 HD23 LEU 63 HD23 LEU 63 -2.481 3.227 4.432
481 H TYR 64 H TYR 64 -4.152 2.606 7.597
482 HA TYR 64 HA TYR 64 -5.342 2.502 9.492
483 HB2 TYR 64 HB3 TYR 64 -6.974 1.853 7.653
484 HB3 TYR 64 HB2 TYR 64 -6.764 0.201 8.203
485 HD1 TYR 64 HD1 TYR 64 -7.389 3.539 9.708
486 HD2 TYR 64 HD2 TYR 64 -8.432 -0.581 9.626
487 HE1 TYR 64 HE1 TYR 64 -9.131 3.953 11.400
488 HE2 TYR 64 HE2 TYR 64 -10.173 -0.183 11.317
489 HH TYR 64 HH TYR 64 -11.231 2.941 12.145
Start of MODEL 5
1 H1 GLN 1 H1 GLN 1 -10.647 -3.126 -14.514
2 H2 GLN 1 H2 GLN 1 -11.173 -4.609 -15.137
3 H3 GLN 1 H3 GLN 1 -11.889 -3.171 -15.672
4 HA GLN 1 HA GLN 1 -10.388 -3.999 -17.333
5 HB2 GLN 1 HB3 GLN 1 -9.348 -1.565 -15.867
6 HB3 GLN 1 HB2 GLN 1 -8.779 -2.061 -17.450
7 HG2 GLN 1 HG3 GLN 1 -10.330 -0.342 -17.815
8 HG3 GLN 1 HG2 GLN 1 -11.156 -1.836 -18.248
9 HE21 GLN 1 HE22 GLN 1 -13.176 -0.905 -17.962
10 HE22 GLN 1 HE21 GLN 1 -13.808 -0.536 -16.394
11 H THR 2 H THR 2 -8.143 -2.719 -14.912
12 HA THR 2 HA THR 2 -6.336 -4.921 -15.408
13 HB THR 2 HB THR 2 -4.975 -3.596 -13.620
14 HG1 THR 2 HG1 THR 2 -5.704 -1.259 -13.890
15 HG21 THR 2 HG21 THR 2 -4.248 -1.974 -15.381
16 HG22 THR 2 HG22 THR 2 -5.594 -2.533 -16.372
17 HG23 THR 2 HG23 THR 2 -4.305 -3.651 -15.925
18 H SER 3 H SER 3 -7.235 -6.718 -14.492
19 HA SER 3 HA SER 3 -8.611 -6.804 -12.050
20 HB2 SER 3 HB3 SER 3 -7.165 -9.048 -13.473
21 HB3 SER 3 HB2 SER 3 -8.412 -9.235 -12.236
22 HG SER 3 HG SER 3 -8.753 -8.999 -14.834
23 H GLN 4 H GLN 4 -8.035 -7.326 -10.014
24 HA GLN 4 HA GLN 4 -6.791 -7.298 -8.152
25 HB2 GLN 4 HB3 GLN 4 -4.811 -8.588 -9.986
26 HB3 GLN 4 HB2 GLN 4 -4.364 -8.160 -8.338
27 HG2 GLN 4 HG3 GLN 4 -6.378 -9.441 -7.582
28 HG3 GLN 4 HG2 GLN 4 -6.519 -10.038 -9.235
29 HE21 GLN 4 HE22 GLN 4 -3.580 -10.102 -9.569
30 HE22 GLN 4 HE21 GLN 4 -3.072 -11.519 -8.708
31 H ASP 5 H ASP 5 -6.640 -5.329 -7.531
32 HA ASP 5 HA ASP 5 -5.175 -3.365 -9.070
33 HB2 ASP 5 HB3 ASP 5 -7.462 -3.039 -7.922
34 HB3 ASP 5 HB2 ASP 5 -6.537 -2.871 -6.438
35 H LEU 6 H LEU 6 -4.017 -1.664 -7.431
36 HA LEU 6 HA LEU 6 -1.726 -3.113 -6.509
37 HB2 LEU 6 HB3 LEU 6 -2.460 -0.202 -6.551
38 HB3 LEU 6 HB2 LEU 6 -0.970 -0.790 -5.849
39 HG LEU 6 HG LEU 6 -1.747 -1.255 -8.710
40 HD11 LEU 6 HD11 LEU 6 0.378 0.637 -7.823
41 HD12 LEU 6 HD12 LEU 6 -1.302 1.162 -7.805
42 HD13 LEU 6 HD13 LEU 6 -0.563 0.628 -9.317
43 HD21 LEU 6 HD21 LEU 6 0.986 -1.413 -7.497
44 HD22 LEU 6 HD22 LEU 6 0.389 -2.140 -8.989
45 HD23 LEU 6 HD23 LEU 6 -0.116 -2.785 -7.423
46 H PHE 7 H PHE 7 -0.912 -1.605 -4.360
47 HA PHE 7 HA PHE 7 -2.972 -1.976 -2.324
48 HB2 PHE 7 HB3 PHE 7 -0.814 -2.737 -0.899
49 HB3 PHE 7 HB2 PHE 7 -1.902 -3.863 -1.693
50 HD1 PHE 7 HD1 PHE 7 1.342 -2.133 -1.988
51 HD2 PHE 7 HD2 PHE 7 -1.159 -5.237 -3.469
52 HE1 PHE 7 HE1 PHE 7 3.232 -3.040 -3.273
53 HE2 PHE 7 HE2 PHE 7 0.727 -6.148 -4.757
54 HZ PHE 7 HZ PHE 7 2.927 -5.050 -4.657
55 H SER 8 H SER 8 -2.833 -0.637 -0.582
56 HA SER 8 HA SER 8 -1.081 1.690 -1.022
57 HB2 SER 8 HB3 SER 8 -3.763 1.744 0.333
58 HB3 SER 8 HB2 SER 8 -2.830 3.106 -0.272
59 HG SER 8 HG SER 8 -3.143 2.204 -2.417
60 H TYR 9 H TYR 9 -0.163 2.672 0.755
61 HA TYR 9 HA TYR 9 -0.414 1.230 3.312
62 HB2 TYR 9 HB3 TYR 9 2.190 2.274 2.150
63 HB3 TYR 9 HB2 TYR 9 1.985 1.508 3.707
64 HD1 TYR 9 HD2 TYR 9 1.545 0.815 0.061
65 HD2 TYR 9 HD1 TYR 9 2.343 -0.710 3.934
66 HE1 TYR 9 HE2 TYR 9 2.035 -1.384 -0.923
67 HE2 TYR 9 HE1 TYR 9 2.840 -2.926 2.973
68 HH TYR 9 HH TYR 9 2.261 -4.205 0.897
69 H GLN 10 H GLN 10 0.024 2.506 5.183
70 HA GLN 10 HA GLN 10 -0.222 5.416 4.728
71 HB2 GLN 10 HB3 GLN 10 -2.118 4.323 5.938
72 HB3 GLN 10 HB2 GLN 10 -0.991 3.837 7.196
73 HG2 GLN 10 HG3 GLN 10 -0.571 6.121 7.790
74 HG3 GLN 10 HG2 GLN 10 -1.501 6.694 6.409
75 HE21 GLN 10 HE22 GLN 10 -3.732 6.654 6.488
76 HE22 GLN 10 HE21 GLN 10 -4.609 6.377 7.950
77 H ALA 11 H ALA 11 1.327 6.706 5.534
78 HA ALA 11 HA ALA 11 3.799 5.370 6.126
79 HB1 ALA 11 HB1 ALA 11 4.852 7.362 5.572
80 HB2 ALA 11 HB2 ALA 11 3.455 8.326 6.024
81 HB3 ALA 11 HB3 ALA 11 3.410 7.354 4.557
82 H LEU 12 H LEU 12 5.015 5.446 7.907
83 HA LEU 12 HA LEU 12 3.704 5.856 10.409
84 HB2 LEU 12 HB3 LEU 12 6.624 5.319 9.872
85 HB3 LEU 12 HB2 LEU 12 5.758 5.031 11.369
86 HG LEU 12 HG LEU 12 5.010 3.621 8.830
87 HD11 LEU 12 HD11 LEU 12 7.063 2.797 10.874
88 HD12 LEU 12 HD12 LEU 12 7.331 3.150 9.164
89 HD13 LEU 12 HD13 LEU 12 6.387 1.736 9.636
90 HD21 LEU 12 HD21 LEU 12 4.582 3.060 11.756
91 HD22 LEU 12 HD22 LEU 12 4.155 1.957 10.446
92 HD23 LEU 12 HD23 LEU 12 3.360 3.527 10.566
93 H TYR 13 H TYR 13 6.024 7.617 8.501
94 HA TYR 13 HA TYR 13 5.938 9.849 10.398
95 HB2 TYR 13 HB3 TYR 13 8.479 8.704 9.215
96 HB3 TYR 13 HB2 TYR 13 8.376 10.230 10.075
97 HD1 TYR 13 HD2 TYR 13 7.777 10.214 12.514
98 HD2 TYR 13 HD1 TYR 13 8.717 6.657 10.380
99 HE1 TYR 13 HE2 TYR 13 8.224 9.062 14.640
100 HE2 TYR 13 HE1 TYR 13 9.163 5.495 12.500
101 HH TYR 13 HH TYR 13 8.270 6.768 15.522
102 H SER 14 H SER 14 6.828 11.841 9.342
103 HA SER 14 HA SER 14 5.998 11.971 6.571
104 HB2 SER 14 HB3 SER 14 6.299 14.395 6.836
105 HB3 SER 14 HB2 SER 14 5.315 13.736 8.138
106 HG SER 14 HG SER 14 8.111 14.083 8.402
107 H TYR 15 H TYR 15 7.312 12.237 4.846
108 HA TYR 15 HA TYR 15 10.211 11.982 5.317
109 HB2 TYR 15 HB3 TYR 15 8.829 10.117 4.111
110 HB3 TYR 15 HB2 TYR 15 8.807 11.236 2.763
111 HD1 TYR 15 HD2 TYR 15 11.127 9.317 4.944
112 HD2 TYR 15 HD1 TYR 15 10.592 11.420 1.284
113 HE1 TYR 15 HE2 TYR 15 13.301 8.479 4.149
114 HE2 TYR 15 HE1 TYR 15 12.756 10.579 0.473
115 HH TYR 15 HH TYR 15 14.718 9.597 1.124
116 H ILE 16 H ILE 16 11.514 13.533 4.471
117 HA ILE 16 HA ILE 16 10.283 15.518 2.675
118 HB ILE 16 HB ILE 16 12.774 15.770 4.382
119 HG12 ILE 16 HG13 ILE 16 10.720 15.710 5.720
120 HG13 ILE 16 HG12 ILE 16 11.439 17.310 5.729
121 HG21 ILE 16 HG21 ILE 16 11.353 17.994 2.962
122 HG22 ILE 16 HG22 ILE 16 12.637 17.067 2.196
123 HG23 ILE 16 HG23 ILE 16 12.975 17.989 3.662
124 HD11 ILE 16 HD11 ILE 16 9.784 18.225 4.456
125 HD12 ILE 16 HD12 ILE 16 8.894 17.045 5.418
126 HD13 ILE 16 HD13 ILE 16 9.352 16.672 3.756
127 HA PRO 17 HA PRO 17 12.513 13.610 -0.636
128 HB2 PRO 17 HB2 PRO 17 12.530 16.326 -1.812
129 HB3 PRO 17 HB3 PRO 17 11.902 14.816 -2.474
130 HG2 PRO 17 HG3 PRO 17 10.286 16.753 -1.541
131 HG3 PRO 17 HG2 PRO 17 9.880 15.033 -1.411
132 HD2 PRO 17 HD3 PRO 17 10.811 16.922 0.684
133 HD3 PRO 17 HD2 PRO 17 9.756 15.512 0.824
134 H GLN 18 H GLN 18 14.582 13.210 -0.892
135 HA GLN 18 HA GLN 18 16.573 15.265 -0.196
136 HB2 GLN 18 HB3 GLN 18 16.931 12.276 -0.512
137 HB3 GLN 18 HB2 GLN 18 18.109 13.410 0.140
138 HG2 GLN 18 HG3 GLN 18 16.890 13.724 2.104
139 HG3 GLN 18 HG2 GLN 18 15.427 13.029 1.409
140 HE21 GLN 18 HE22 GLN 18 16.842 10.795 0.198
141 HE22 GLN 18 HE21 GLN 18 17.255 9.728 1.496
142 H ASN 19 H ASN 19 15.454 12.997 -2.585
143 HA ASN 19 HA ASN 19 17.174 14.292 -4.607
144 HB2 ASN 19 HB3 ASN 19 15.907 11.543 -4.560
145 HB3 ASN 19 HB2 ASN 19 16.658 12.238 -5.992
146 HD21 ASN 19 HD22 ASN 19 18.912 12.570 -6.004
147 HD22 ASN 19 HD21 ASN 19 19.950 11.723 -4.901
148 H ASP 20 H ASP 20 16.130 14.467 -6.779
149 HA ASP 20 HA ASP 20 13.756 16.007 -6.424
150 HB2 ASP 20 HB3 ASP 20 15.269 15.252 -8.925
151 HB3 ASP 20 HB2 ASP 20 13.908 16.366 -8.894
152 H ASP 21 H ASP 21 14.331 12.750 -7.208
153 HA ASP 21 HA ASP 21 11.666 12.466 -8.390
154 HB2 ASP 21 HB3 ASP 21 12.363 10.189 -9.020
155 HB3 ASP 21 HB2 ASP 21 13.442 11.417 -9.672
156 H GLU 22 H GLU 22 12.938 12.505 -5.409
157 HA GLU 22 HA GLU 22 11.352 10.322 -4.337
158 HB2 GLU 22 HB3 GLU 22 13.211 12.345 -3.159
159 HB3 GLU 22 HB2 GLU 22 12.059 11.521 -2.116
160 HG2 GLU 22 HG3 GLU 22 12.972 9.385 -2.692
161 HG3 GLU 22 HG2 GLU 22 14.033 10.108 -3.900
162 H LEU 23 H LEU 23 10.002 11.016 -2.310
163 HA LEU 23 HA LEU 23 8.026 12.892 -3.431
164 HB2 LEU 23 HB3 LEU 23 7.508 10.433 -3.341
165 HB3 LEU 23 HB2 LEU 23 7.544 10.559 -1.597
166 HG LEU 23 HG LEU 23 5.612 11.981 -1.591
167 HD11 LEU 23 HD11 LEU 23 4.466 12.580 -3.703
168 HD12 LEU 23 HD12 LEU 23 5.819 11.898 -4.597
169 HD13 LEU 23 HD13 LEU 23 6.065 13.313 -3.573
170 HD21 LEU 23 HD21 LEU 23 3.992 10.459 -2.720
171 HD22 LEU 23 HD22 LEU 23 5.151 9.640 -1.667
172 HD23 LEU 23 HD23 LEU 23 5.382 9.625 -3.414
173 H GLU 24 H GLU 24 7.195 14.500 -2.145
174 HA GLU 24 HA GLU 24 8.198 14.778 0.560
175 HB2 GLU 24 HB3 GLU 24 7.430 16.644 -1.217
176 HB3 GLU 24 HB2 GLU 24 5.897 16.420 -0.382
177 HG2 GLU 24 HG3 GLU 24 7.205 16.789 1.780
178 HG3 GLU 24 HG2 GLU 24 8.517 17.348 0.747
179 H LEU 25 H LEU 25 7.298 13.769 2.212
180 HA LEU 25 HA LEU 25 4.697 12.461 1.754
181 HB2 LEU 25 HB3 LEU 25 6.748 11.045 1.472
182 HB3 LEU 25 HB2 LEU 25 7.152 11.377 3.131
183 HG LEU 25 HG LEU 25 6.097 9.122 2.509
184 HD11 LEU 25 HD11 LEU 25 4.743 9.242 4.688
185 HD12 LEU 25 HD12 LEU 25 5.418 10.868 4.799
186 HD13 LEU 25 HD13 LEU 25 6.489 9.477 4.726
187 HD21 LEU 25 HD21 LEU 25 3.557 9.305 2.888
188 HD22 LEU 25 HD22 LEU 25 4.212 9.640 1.279
189 HD23 LEU 25 HD23 LEU 25 3.776 10.973 2.341
190 H ARG 26 H ARG 26 3.252 12.550 3.422
191 HA ARG 26 HA ARG 26 4.086 14.026 5.824
192 HB2 ARG 26 HB3 ARG 26 2.167 14.903 4.525
193 HB3 ARG 26 HB2 ARG 26 1.299 13.409 4.830
194 HG2 ARG 26 HG3 ARG 26 0.511 15.050 6.347
195 HG3 ARG 26 HG2 ARG 26 1.463 13.886 7.262
196 HD2 ARG 26 HD3 ARG 26 3.394 15.435 7.112
197 HD3 ARG 26 HD2 ARG 26 2.338 16.610 6.332
198 HE ARG 26 HE ARG 26 1.375 15.657 8.873
199 HH11 ARG 26 HH11 ARG 26 3.350 18.075 7.263
200 HH12 ARG 26 HH12 ARG 26 3.233 19.207 8.584
201 HH21 ARG 26 HH22 ARG 26 1.222 17.124 10.572
202 HH22 ARG 26 HH21 ARG 26 2.048 18.656 10.471
203 H ASP 27 H ASP 27 3.508 13.220 7.924
204 HA ASP 27 HA ASP 27 3.587 10.420 8.233
205 HB2 ASP 27 HB3 ASP 27 3.122 10.769 10.569
206 HB3 ASP 27 HB2 ASP 27 4.238 12.004 10.022
207 H GLY 28 H GLY 28 2.001 8.941 8.562
208 HA2 GLY 28 HA3 GLY 28 -0.052 7.959 8.316
209 HA3 GLY 28 HA2 GLY 28 -0.746 9.455 8.912
210 H ASP 29 H ASP 29 1.216 9.356 6.044
211 HA ASP 29 HA ASP 29 -1.101 10.112 4.424
212 HB2 ASP 29 HB3 ASP 29 0.980 11.491 4.354
213 HB3 ASP 29 HB2 ASP 29 1.833 10.099 3.692
214 H ILE 30 H ILE 30 -1.514 9.033 2.373
215 HA ILE 30 HA ILE 30 -0.853 6.184 2.614
216 HB ILE 30 HB ILE 30 -3.068 7.519 1.040
217 HG12 ILE 30 HG13 ILE 30 -4.523 6.214 2.622
218 HG13 ILE 30 HG12 ILE 30 -3.082 5.819 3.541
219 HG21 ILE 30 HG21 ILE 30 -2.550 4.573 1.409
220 HG22 ILE 30 HG22 ILE 30 -2.159 5.480 -0.048
221 HG23 ILE 30 HG23 ILE 30 -3.839 5.315 0.461
222 HD11 ILE 30 HD11 ILE 30 -4.419 7.652 4.505
223 HD12 ILE 30 HD12 ILE 30 -4.081 8.613 3.065
224 HD13 ILE 30 HD13 ILE 30 -2.758 8.107 4.120
225 H VAL 31 H VAL 31 0.278 5.127 1.116
226 HA VAL 31 HA VAL 31 1.048 6.602 -1.315
227 HB VAL 31 HB VAL 31 2.917 6.568 0.229
228 HG11 VAL 31 HG11 VAL 31 2.646 3.566 0.184
229 HG12 VAL 31 HG12 VAL 31 2.335 4.626 1.558
230 HG13 VAL 31 HG13 VAL 31 3.971 4.464 0.921
231 HG21 VAL 31 HG21 VAL 31 4.603 5.465 -1.195
232 HG22 VAL 31 HG22 VAL 31 3.457 6.436 -2.121
233 HG23 VAL 31 HG23 VAL 31 3.300 4.680 -2.090
234 H ASP 32 H ASP 32 1.275 5.461 -3.186
235 HA ASP 32 HA ASP 32 0.629 2.595 -3.188
236 HB2 ASP 32 HB3 ASP 32 -0.400 4.754 -5.037
237 HB3 ASP 32 HB2 ASP 32 -0.470 3.039 -5.438
238 H VAL 33 H VAL 33 2.041 1.389 -4.334
239 HA VAL 33 HA VAL 33 4.392 2.709 -5.269
240 HB VAL 33 HB VAL 33 5.150 0.868 -4.305
241 HG11 VAL 33 HG11 VAL 33 2.541 -0.389 -4.986
242 HG12 VAL 33 HG12 VAL 33 3.268 -0.027 -3.416
243 HG13 VAL 33 HG13 VAL 33 3.896 -1.353 -4.393
244 HG21 VAL 33 HG21 VAL 33 4.520 -0.184 -7.045
245 HG22 VAL 33 HG22 VAL 33 5.546 -1.025 -5.882
246 HG23 VAL 33 HG23 VAL 33 6.014 0.567 -6.479
247 H MET 34 H MET 34 4.814 3.415 -7.119
248 HA MET 34 HA MET 34 3.169 2.751 -9.411
249 HB2 MET 34 HB3 MET 34 5.305 4.832 -8.935
250 HB3 MET 34 HB2 MET 34 4.630 4.528 -10.536
251 HG2 MET 34 HG3 MET 34 3.165 5.451 -8.087
252 HG3 MET 34 HG2 MET 34 3.481 6.376 -9.556
253 HE1 MET 34 HE1 MET 34 0.567 6.080 -8.242
254 HE2 MET 34 HE2 MET 34 -0.413 5.818 -9.685
255 HE3 MET 34 HE3 MET 34 0.884 7.014 -9.704
256 H GLU 35 H GLU 35 6.485 2.387 -8.299
257 HA GLU 35 HA GLU 35 6.841 0.259 -10.263
258 HB2 GLU 35 HB3 GLU 35 7.703 2.560 -11.126
259 HB3 GLU 35 HB2 GLU 35 9.015 2.305 -9.984
260 HG2 GLU 35 HG3 GLU 35 9.700 0.321 -11.096
261 HG3 GLU 35 HG2 GLU 35 8.264 0.328 -12.118
262 H LYS 36 H LYS 36 8.355 -1.267 -9.647
263 HA LYS 36 HA LYS 36 8.907 -1.173 -6.755
264 HB2 LYS 36 HB3 LYS 36 8.728 -3.602 -8.538
265 HB3 LYS 36 HB2 LYS 36 8.806 -3.586 -6.784
266 HG2 LYS 36 HG3 LYS 36 6.617 -2.727 -6.609
267 HG3 LYS 36 HG2 LYS 36 6.551 -2.356 -8.336
268 HD2 LYS 36 HD3 LYS 36 6.767 -4.785 -8.804
269 HD3 LYS 36 HD2 LYS 36 6.664 -5.090 -7.070
270 HE2 LYS 36 HE3 LYS 36 4.459 -4.103 -7.003
271 HE3 LYS 36 HE2 LYS 36 4.561 -3.696 -8.714
272 HZ1 LYS 36 HZ1 LYS 36 4.467 -6.418 -7.527
273 HZ2 LYS 36 HZ2 LYS 36 4.773 -6.109 -9.170
274 HZ3 LYS 36 HZ3 LYS 36 3.284 -5.677 -8.488
275 H CYS 37 H CYS 37 10.967 -1.244 -6.040
276 HA CYS 37 HA CYS 37 13.140 -1.798 -7.879
277 HB2 CYS 37 HB3 CYS 37 13.491 -0.067 -6.226
278 HB3 CYS 37 HB2 CYS 37 13.132 -1.173 -4.918
279 HG CYS 37 HG CYS 37 15.973 -0.743 -6.671
280 H ASP 38 H ASP 38 14.576 -3.461 -7.676
281 HA ASP 38 HA ASP 38 13.462 -5.984 -7.038
282 HB2 ASP 38 HB3 ASP 38 15.136 -5.712 -8.802
283 HB3 ASP 38 HB2 ASP 38 16.329 -5.233 -7.602
284 H ASP 39 H ASP 39 15.297 -3.679 -5.250
285 HA ASP 39 HA ASP 39 14.813 -4.948 -2.781
286 HB2 ASP 39 HB3 ASP 39 16.621 -6.473 -3.562
287 HB3 ASP 39 HB2 ASP 39 17.701 -5.088 -3.679
288 H GLY 40 H GLY 40 14.045 -2.713 -2.725
289 HA2 GLY 40 HA3 GLY 40 15.778 -1.175 -1.120
290 HA3 GLY 40 HA2 GLY 40 15.724 -0.488 -2.735
291 H TRP 41 H TRP 41 13.713 0.292 -3.538
292 HA TRP 41 HA TRP 41 11.720 0.826 -1.454
293 HB2 TRP 41 HB3 TRP 41 11.610 3.191 -2.295
294 HB3 TRP 41 HB2 TRP 41 13.100 2.775 -1.460
295 HD1 TRP 41 HD1 TRP 41 12.385 2.100 -5.221
296 HE1 TRP 41 HE1 TRP 41 14.140 3.376 -6.603
297 HE3 TRP 41 HE3 TRP 41 14.743 4.599 -1.432
298 HZ2 TRP 41 HZ2 TRP 41 16.243 5.203 -6.150
299 HZ3 TRP 41 HZ3 TRP 41 16.612 6.096 -1.995
300 HH2 TRP 41 HH2 TRP 41 17.347 6.391 -4.304
301 H PHE 42 H PHE 42 9.711 1.870 -2.434
302 HA PHE 42 HA PHE 42 9.331 1.024 -5.224
303 HB2 PHE 42 HB3 PHE 42 7.042 1.456 -3.279
304 HB3 PHE 42 HB2 PHE 42 7.019 0.648 -4.831
305 HD1 PHE 42 HD1 PHE 42 8.956 -1.335 -4.844
306 HD2 PHE 42 HD2 PHE 42 6.662 0.029 -1.536
307 HE1 PHE 42 HE1 PHE 42 9.233 -3.525 -3.756
308 HE2 PHE 42 HE2 PHE 42 6.938 -2.154 -0.434
309 HZ PHE 42 HZ PHE 42 8.225 -3.935 -1.547
310 H VAL 43 H VAL 43 7.860 2.511 -6.434
311 HA VAL 43 HA VAL 43 8.356 5.281 -5.648
312 HB VAL 43 HB VAL 43 6.735 4.457 -8.032
313 HG11 VAL 43 HG11 VAL 43 8.477 6.826 -7.421
314 HG12 VAL 43 HG12 VAL 43 6.723 6.783 -7.605
315 HG13 VAL 43 HG13 VAL 43 7.762 6.506 -9.002
316 HG21 VAL 43 HG21 VAL 43 8.947 4.553 -9.302
317 HG22 VAL 43 HG22 VAL 43 8.620 3.104 -8.352
318 HG23 VAL 43 HG23 VAL 43 9.706 4.337 -7.731
319 H GLY 44 H GLY 44 6.477 6.801 -5.630
320 HA2 GLY 44 HA3 GLY 44 4.016 5.507 -4.752
321 HA3 GLY 44 HA2 GLY 44 4.951 6.328 -3.515
322 H THR 45 H THR 45 2.278 6.909 -4.368
323 HA THR 45 HA THR 45 2.723 9.666 -5.305
324 HB THR 45 HB THR 45 0.086 8.195 -5.437
325 HG1 THR 45 HG1 THR 45 2.340 7.833 -6.926
326 HG21 THR 45 HG21 THR 45 1.059 10.401 -7.221
327 HG22 THR 45 HG22 THR 45 0.351 10.753 -5.648
328 HG23 THR 45 HG23 THR 45 -0.599 9.909 -6.869
329 H SER 46 H SER 46 2.254 11.249 -3.881
330 HA SER 46 HA SER 46 1.237 10.494 -1.261
331 HB2 SER 46 HB3 SER 46 3.226 11.895 -1.342
332 HB3 SER 46 HB2 SER 46 2.371 13.103 -2.298
333 HG SER 46 HG SER 46 1.728 12.306 0.367
334 H ARG 47 H ARG 47 -0.645 11.143 -0.358
335 HA ARG 47 HA ARG 47 -2.766 12.044 -1.992
336 HB2 ARG 47 HB3 ARG 47 -2.367 11.316 0.844
337 HB3 ARG 47 HB2 ARG 47 -3.744 12.350 0.488
338 HG2 ARG 47 HG3 ARG 47 -4.359 10.004 0.516
339 HG3 ARG 47 HG2 ARG 47 -4.578 10.723 -1.078
340 HD2 ARG 47 HD3 ARG 47 -2.278 9.787 -1.626
341 HD3 ARG 47 HD2 ARG 47 -2.458 8.822 -0.162
342 HE ARG 47 HE ARG 47 -4.749 8.550 -1.807
343 HH11 ARG 47 HH11 ARG 47 -1.381 7.594 -1.636
344 HH12 ARG 47 HH12 ARG 47 -1.656 6.092 -2.485
345 HH21 ARG 47 HH22 ARG 47 -5.074 6.583 -2.931
346 HH22 ARG 47 HH21 ARG 47 -3.716 5.525 -3.200
347 H ARG 48 H ARG 48 -0.287 13.768 -0.589
348 HA ARG 48 HA ARG 48 -1.742 15.980 0.461
349 HB2 ARG 48 HB3 ARG 48 1.143 15.686 -0.350
350 HB3 ARG 48 HB2 ARG 48 0.494 17.064 0.534
351 HG2 ARG 48 HG3 ARG 48 -0.156 15.543 2.358
352 HG3 ARG 48 HG2 ARG 48 0.572 14.202 1.471
353 HD2 ARG 48 HD3 ARG 48 2.138 14.978 3.111
354 HD3 ARG 48 HD2 ARG 48 2.730 15.412 1.507
355 HE ARG 48 HE ARG 48 1.367 17.331 3.301
356 HH11 ARG 48 HH11 ARG 48 3.879 16.493 1.015
357 HH12 ARG 48 HH12 ARG 48 4.607 18.074 1.029
358 HH21 ARG 48 HH22 ARG 48 2.306 19.402 3.333
359 HH22 ARG 48 HH21 ARG 48 3.732 19.727 2.386
360 H THR 49 H THR 49 0.437 15.811 -2.343
361 HA THR 49 HA THR 49 -1.208 17.876 -3.638
362 HB THR 49 HB THR 49 0.887 18.836 -2.865
363 HG1 THR 49 HG1 THR 49 0.473 19.839 -4.714
364 HG21 THR 49 HG21 THR 49 2.295 16.782 -4.558
365 HG22 THR 49 HG22 THR 49 2.162 16.722 -2.798
366 HG23 THR 49 HG23 THR 49 3.041 18.041 -3.574
367 H LYS 50 H LYS 50 -0.876 14.822 -3.726
368 HA LYS 50 HA LYS 50 -0.902 13.108 -5.188
369 HB2 LYS 50 HB3 LYS 50 -2.066 15.220 -6.998
370 HB3 LYS 50 HB2 LYS 50 -2.293 13.480 -7.141
371 HG2 LYS 50 HG3 LYS 50 -3.212 15.192 -4.840
372 HG3 LYS 50 HG2 LYS 50 -4.221 14.569 -6.130
373 HD2 LYS 50 HD3 LYS 50 -3.468 12.252 -5.406
374 HD3 LYS 50 HD2 LYS 50 -2.822 13.041 -3.968
375 HE2 LYS 50 HE3 LYS 50 -5.696 13.118 -4.879
376 HE3 LYS 50 HE2 LYS 50 -5.058 12.124 -3.574
377 HZ1 LYS 50 HZ1 LYS 50 -4.648 14.006 -2.256
378 HZ2 LYS 50 HZ2 LYS 50 -6.187 14.261 -2.915
379 HZ3 LYS 50 HZ3 LYS 50 -4.843 15.083 -3.550
380 H GLN 51 H GLN 51 1.626 14.408 -5.156
381 HA GLN 51 HA GLN 51 2.486 14.208 -7.927
382 HB2 GLN 51 HB3 GLN 51 4.682 14.988 -7.121
383 HB3 GLN 51 HB2 GLN 51 3.391 16.111 -6.734
384 HG2 GLN 51 HG3 GLN 51 3.373 15.362 -4.448
385 HG3 GLN 51 HG2 GLN 51 4.572 14.124 -4.816
386 HE21 GLN 51 HE22 GLN 51 4.686 17.322 -6.199
387 HE22 GLN 51 HE21 GLN 51 6.101 17.853 -5.347
388 H PHE 52 H PHE 52 4.653 12.997 -8.188
389 HA PHE 52 HA PHE 52 4.185 10.350 -6.979
390 HB2 PHE 52 HB3 PHE 52 5.306 10.900 -9.740
391 HB3 PHE 52 HB2 PHE 52 4.834 9.343 -9.079
392 HD1 PHE 52 HD2 PHE 52 3.613 12.532 -10.428
393 HD2 PHE 52 HD1 PHE 52 2.560 8.643 -9.070
394 HE1 PHE 52 HE2 PHE 52 1.372 12.803 -11.403
395 HE2 PHE 52 HE1 PHE 52 0.317 8.906 -10.042
396 HZ PHE 52 HZ PHE 52 -0.279 10.989 -11.210
397 H GLY 53 H GLY 53 5.759 9.982 -5.576
398 HA2 GLY 53 HA3 GLY 53 8.541 10.511 -6.412
399 HA3 GLY 53 HA2 GLY 53 7.966 11.014 -4.826
400 H THR 54 H THR 54 10.119 9.155 -5.396
401 HA THR 54 HA THR 54 8.929 6.602 -4.586
402 HB THR 54 HB THR 54 10.409 6.676 -6.601
403 HG1 THR 54 HG1 THR 54 10.299 4.889 -4.711
404 HG21 THR 54 HG21 THR 54 12.684 7.026 -4.636
405 HG22 THR 54 HG22 THR 54 12.041 8.360 -5.599
406 HG23 THR 54 HG23 THR 54 12.776 6.965 -6.396
407 H PHE 55 H PHE 55 9.598 5.516 -2.733
408 HA PHE 55 HA PHE 55 11.822 6.356 -1.182
409 HB2 PHE 55 HB3 PHE 55 10.640 7.037 0.859
410 HB3 PHE 55 HB2 PHE 55 10.318 8.137 -0.467
411 HD1 PHE 55 HD1 PHE 55 8.081 8.143 -1.550
412 HD2 PHE 55 HD2 PHE 55 8.929 5.788 1.895
413 HE1 PHE 55 HE1 PHE 55 5.674 7.904 -1.119
414 HE2 PHE 55 HE2 PHE 55 6.522 5.541 2.327
415 HZ PHE 55 HZ PHE 55 4.891 6.602 0.817
416 HA PRO 56 HA PRO 56 11.970 2.289 0.312
417 HB2 PRO 56 HB2 PRO 56 11.674 3.236 3.118
418 HB3 PRO 56 HB3 PRO 56 12.914 2.200 2.400
419 HG2 PRO 56 HG3 PRO 56 13.429 4.756 2.969
420 HG3 PRO 56 HG2 PRO 56 14.085 3.990 1.510
421 HD2 PRO 56 HD3 PRO 56 11.841 5.934 1.785
422 HD3 PRO 56 HD2 PRO 56 13.015 5.740 0.468
423 H GLY 57 H GLY 57 10.570 0.670 0.454
424 HA2 GLY 57 HA3 GLY 57 7.806 1.252 1.119
425 HA3 GLY 57 HA2 GLY 57 8.417 -0.232 0.403
426 H ASN 58 H ASN 58 10.494 0.072 2.776
427 HA ASN 58 HA ASN 58 8.827 -1.406 4.687
428 HB2 ASN 58 HB3 ASN 58 11.829 -1.183 4.388
429 HB3 ASN 58 HB2 ASN 58 11.052 -1.971 5.761
430 HD21 ASN 58 HD22 ASN 58 11.792 -2.170 2.378
431 HD22 ASN 58 HD21 ASN 58 11.308 -3.818 2.165
432 H TYR 59 H TYR 59 8.905 1.513 4.207
433 HA TYR 59 HA TYR 59 9.664 2.432 6.901
434 HB2 TYR 59 HB3 TYR 59 11.061 3.625 5.468
435 HB3 TYR 59 HB2 TYR 59 9.881 3.649 4.170
436 HD1 TYR 59 HD1 TYR 59 8.138 5.318 4.109
437 HD2 TYR 59 HD2 TYR 59 11.080 5.346 7.181
438 HE1 TYR 59 HE1 TYR 59 7.533 7.644 4.659
439 HE2 TYR 59 HE2 TYR 59 10.479 7.665 7.745
440 HH TYR 59 HH TYR 59 7.680 9.193 6.519
441 H VAL 60 H VAL 60 7.216 1.574 4.937
442 HA VAL 60 HA VAL 60 5.284 3.410 6.180
443 HB VAL 60 HB VAL 60 5.640 3.839 3.752
444 HG11 VAL 60 HG11 VAL 60 4.635 2.200 2.150
445 HG12 VAL 60 HG12 VAL 60 4.658 1.030 3.470
446 HG13 VAL 60 HG13 VAL 60 6.166 1.721 2.880
447 HG21 VAL 60 HG21 VAL 60 3.214 3.729 3.127
448 HG22 VAL 60 HG22 VAL 60 3.595 4.547 4.644
449 HG23 VAL 60 HG23 VAL 60 2.961 2.905 4.665
450 H LYS 61 H LYS 61 3.097 2.394 6.488
451 HA LYS 61 HA LYS 61 3.331 -0.526 6.822
452 HB2 LYS 61 HB3 LYS 61 2.452 -0.455 8.993
453 HB3 LYS 61 HB2 LYS 61 3.635 0.844 8.954
454 HG2 LYS 61 HG3 LYS 61 1.929 2.496 8.774
455 HG3 LYS 61 HG2 LYS 61 0.688 1.263 8.540
456 HD2 LYS 61 HD3 LYS 61 2.332 1.731 11.021
457 HD3 LYS 61 HD2 LYS 61 0.613 2.059 10.818
458 HE2 LYS 61 HE3 LYS 61 0.276 -0.369 10.372
459 HE3 LYS 61 HE2 LYS 61 1.973 -0.625 10.760
460 HZ1 LYS 61 HZ1 LYS 61 1.605 0.163 12.979
461 HZ2 LYS 61 HZ2 LYS 61 0.495 -1.075 12.649
462 HZ3 LYS 61 HZ3 LYS 61 -0.012 0.544 12.637
463 HA PRO 62 HA PRO 62 -0.601 -1.196 5.000
464 HB2 PRO 62 HB2 PRO 62 -1.936 -2.621 6.957
465 HB3 PRO 62 HB3 PRO 62 -0.765 -3.314 5.829
466 HG2 PRO 62 HG3 PRO 62 -0.350 -2.369 8.639
467 HG3 PRO 62 HG2 PRO 62 0.247 -3.843 7.861
468 HD2 PRO 62 HD3 PRO 62 1.816 -1.747 8.231
469 HD3 PRO 62 HD2 PRO 62 1.907 -2.683 6.717
470 H LEU 63 H LEU 63 -2.488 -0.174 4.777
471 HA LEU 63 HA LEU 63 -3.169 2.084 6.212
472 HB2 LEU 63 HB3 LEU 63 -4.847 0.308 4.456
473 HB3 LEU 63 HB2 LEU 63 -5.411 1.842 5.090
474 HG LEU 63 HG LEU 63 -3.070 1.444 3.226
475 HD11 LEU 63 HD11 LEU 63 -5.218 1.151 2.124
476 HD12 LEU 63 HD12 LEU 63 -4.487 2.680 1.640
477 HD13 LEU 63 HD13 LEU 63 -5.802 2.665 2.816
478 HD21 LEU 63 HD21 LEU 63 -4.255 3.952 4.398
479 HD22 LEU 63 HD22 LEU 63 -2.999 3.884 3.161
480 HD23 LEU 63 HD23 LEU 63 -2.678 3.256 4.778
481 H TYR 64 H TYR 64 -4.842 2.591 7.626
482 HA TYR 64 HA TYR 64 -5.667 0.453 9.389
483 HB2 TYR 64 HB3 TYR 64 -5.631 3.412 9.577
484 HB3 TYR 64 HB2 TYR 64 -6.596 2.474 10.692
485 HD1 TYR 64 HD1 TYR 64 -3.165 3.171 9.543
486 HD2 TYR 64 HD2 TYR 64 -5.571 1.277 12.490
487 HE1 TYR 64 HE1 TYR 64 -1.167 2.822 10.941
488 HE2 TYR 64 HE2 TYR 64 -3.590 0.921 13.893
489 HH TYR 64 HH TYR 64 -0.732 2.479 13.498
Start of MODEL 6
1 H1 GLN 1 H1 GLN 1 -7.429 -3.370 -10.490
2 H2 GLN 1 H2 GLN 1 -7.470 -4.264 -11.932
3 H3 GLN 1 H3 GLN 1 -6.905 -4.983 -10.502
4 HA GLN 1 HA GLN 1 -9.663 -4.030 -10.976
5 HB2 GLN 1 HB3 GLN 1 -8.452 -6.794 -10.999
6 HB3 GLN 1 HB2 GLN 1 -10.174 -6.524 -10.777
7 HG2 GLN 1 HG3 GLN 1 -8.576 -5.622 -13.159
8 HG3 GLN 1 HG2 GLN 1 -9.570 -7.076 -13.093
9 HE21 GLN 1 HE22 GLN 1 -11.639 -5.793 -11.476
10 HE22 GLN 1 HE21 GLN 1 -12.495 -4.743 -12.554
11 H THR 2 H THR 2 -8.358 -6.664 -9.008
12 HA THR 2 HA THR 2 -9.898 -5.599 -6.772
13 HB THR 2 HB THR 2 -8.535 -8.291 -6.957
14 HG1 THR 2 HG1 THR 2 -10.446 -9.066 -7.828
15 HG21 THR 2 HG21 THR 2 -10.187 -8.955 -5.291
16 HG22 THR 2 HG22 THR 2 -10.886 -7.334 -5.313
17 HG23 THR 2 HG23 THR 2 -9.248 -7.581 -4.708
18 H SER 3 H SER 3 -6.590 -6.244 -7.707
19 HA SER 3 HA SER 3 -5.707 -5.432 -5.027
20 HB2 SER 3 HB3 SER 3 -3.529 -6.593 -5.734
21 HB3 SER 3 HB2 SER 3 -4.914 -7.624 -5.377
22 HG SER 3 HG SER 3 -3.837 -8.200 -7.334
23 H GLN 4 H GLN 4 -4.716 -5.280 -8.418
24 HA GLN 4 HA GLN 4 -3.533 -3.807 -9.634
25 HB2 GLN 4 HB3 GLN 4 -5.435 -2.321 -8.844
26 HB3 GLN 4 HB2 GLN 4 -4.313 -1.698 -7.636
27 HG2 GLN 4 HG3 GLN 4 -2.793 -0.990 -9.379
28 HG3 GLN 4 HG2 GLN 4 -3.870 -1.669 -10.596
29 HE21 GLN 4 HE22 GLN 4 -4.948 0.039 -7.748
30 HE22 GLN 4 HE21 GLN 4 -5.553 1.435 -8.567
31 H ASP 5 H ASP 5 -1.541 -4.686 -9.225
32 HA ASP 5 HA ASP 5 0.605 -4.833 -8.486
33 HB2 ASP 5 HB3 ASP 5 0.299 -2.249 -9.026
34 HB3 ASP 5 HB2 ASP 5 0.488 -2.104 -7.281
35 H LEU 6 H LEU 6 1.622 -3.410 -6.141
36 HA LEU 6 HA LEU 6 0.851 -5.243 -4.125
37 HB2 LEU 6 HB3 LEU 6 2.544 -2.771 -4.097
38 HB3 LEU 6 HB2 LEU 6 2.233 -3.712 -2.655
39 HG LEU 6 HG LEU 6 3.563 -4.717 -5.152
40 HD11 LEU 6 HD11 LEU 6 4.801 -4.453 -2.439
41 HD12 LEU 6 HD12 LEU 6 4.767 -3.094 -3.558
42 HD13 LEU 6 HD13 LEU 6 5.594 -4.588 -4.011
43 HD21 LEU 6 HD21 LEU 6 4.069 -6.690 -3.627
44 HD22 LEU 6 HD22 LEU 6 2.416 -6.550 -4.233
45 HD23 LEU 6 HD23 LEU 6 2.790 -6.060 -2.586
46 H PHE 7 H PHE 7 0.741 -3.679 -1.828
47 HA PHE 7 HA PHE 7 -2.020 -2.712 -2.079
48 HB2 PHE 7 HB3 PHE 7 -0.666 -3.356 0.521
49 HB3 PHE 7 HB2 PHE 7 -2.381 -3.302 0.166
50 HD1 PHE 7 HD2 PHE 7 -3.438 -5.107 -1.157
51 HD2 PHE 7 HD1 PHE 7 0.591 -5.357 0.194
52 HE1 PHE 7 HE2 PHE 7 -3.460 -7.536 -1.549
53 HE2 PHE 7 HE1 PHE 7 0.575 -7.785 -0.197
54 HZ PHE 7 HZ PHE 7 -1.451 -8.877 -1.069
55 H SER 8 H SER 8 -2.562 -1.065 -0.334
56 HA SER 8 HA SER 8 -0.665 1.140 -0.603
57 HB2 SER 8 HB3 SER 8 -3.471 1.316 0.455
58 HB3 SER 8 HB2 SER 8 -2.488 2.601 -0.228
59 HG SER 8 HG SER 8 -2.805 1.818 -2.245
60 H TYR 9 H TYR 9 0.088 2.262 1.163
61 HA TYR 9 HA TYR 9 -0.382 1.011 3.785
62 HB2 TYR 9 HB3 TYR 9 2.312 1.848 2.651
63 HB3 TYR 9 HB2 TYR 9 2.026 1.360 4.310
64 HD1 TYR 9 HD2 TYR 9 1.404 -0.008 0.865
65 HD2 TYR 9 HD1 TYR 9 2.580 -0.748 4.870
66 HE1 TYR 9 HE2 TYR 9 1.827 -2.365 0.294
67 HE2 TYR 9 HE1 TYR 9 3.006 -3.107 4.325
68 HH TYR 9 HH TYR 9 3.153 -4.272 1.134
69 H GLN 10 H GLN 10 -0.015 2.423 5.601
70 HA GLN 10 HA GLN 10 -0.208 5.283 4.890
71 HB2 GLN 10 HB3 GLN 10 -2.175 4.208 6.115
72 HB3 GLN 10 HB2 GLN 10 -1.103 4.050 7.501
73 HG2 GLN 10 HG3 GLN 10 -0.836 6.442 7.632
74 HG3 GLN 10 HG2 GLN 10 -1.748 6.658 6.141
75 HE21 GLN 10 HE22 GLN 10 -2.641 4.357 8.614
76 HE22 GLN 10 HE21 GLN 10 -4.077 5.176 9.126
77 H ALA 11 H ALA 11 1.254 6.650 5.731
78 HA ALA 11 HA ALA 11 3.680 5.427 6.655
79 HB1 ALA 11 HB1 ALA 11 4.728 7.455 6.159
80 HB2 ALA 11 HB2 ALA 11 3.235 8.366 6.336
81 HB3 ALA 11 HB3 ALA 11 3.456 7.305 4.947
82 H LEU 12 H LEU 12 4.682 5.646 8.543
83 HA LEU 12 HA LEU 12 3.045 6.073 10.844
84 HB2 LEU 12 HB3 LEU 12 6.023 5.624 10.713
85 HB3 LEU 12 HB2 LEU 12 4.966 5.311 12.076
86 HG LEU 12 HG LEU 12 4.636 3.847 9.472
87 HD11 LEU 12 HD11 LEU 12 6.424 3.115 11.782
88 HD12 LEU 12 HD12 LEU 12 6.918 3.503 10.132
89 HD13 LEU 12 HD13 LEU 12 5.986 2.039 10.453
90 HD21 LEU 12 HD21 LEU 12 3.814 3.320 12.321
91 HD22 LEU 12 HD22 LEU 12 3.669 2.142 11.015
92 HD23 LEU 12 HD23 LEU 12 2.773 3.656 10.937
93 H TYR 13 H TYR 13 5.510 7.846 9.140
94 HA TYR 13 HA TYR 13 5.157 10.134 10.930
95 HB2 TYR 13 HB3 TYR 13 7.884 9.152 10.050
96 HB3 TYR 13 HB2 TYR 13 7.551 10.551 11.059
97 HD1 TYR 13 HD2 TYR 13 6.556 10.135 13.374
98 HD2 TYR 13 HD1 TYR 13 8.246 7.054 10.976
99 HE1 TYR 13 HE2 TYR 13 6.841 8.738 15.377
100 HE2 TYR 13 HE1 TYR 13 8.535 5.650 12.969
101 HH TYR 13 HH TYR 13 8.784 5.975 15.418
102 H SER 14 H SER 14 6.390 12.045 9.915
103 HA SER 14 HA SER 14 5.928 12.162 7.065
104 HB2 SER 14 HB3 SER 14 7.241 14.280 8.775
105 HB3 SER 14 HB2 SER 14 6.361 14.486 7.258
106 HG SER 14 HG SER 14 4.826 14.994 8.668
107 H TYR 15 H TYR 15 7.448 12.137 5.524
108 HA TYR 15 HA TYR 15 10.230 11.683 6.354
109 HB2 TYR 15 HB3 TYR 15 9.340 9.553 5.752
110 HB3 TYR 15 HB2 TYR 15 8.568 10.194 4.324
111 HD1 TYR 15 HD1 TYR 15 9.903 10.737 2.347
112 HD2 TYR 15 HD2 TYR 15 11.645 8.862 5.733
113 HE1 TYR 15 HE1 TYR 15 11.796 10.011 0.952
114 HE2 TYR 15 HE2 TYR 15 13.554 8.138 4.355
115 HH TYR 15 HH TYR 15 13.999 9.264 1.079
116 H ILE 16 H ILE 16 11.714 12.791 5.275
117 HA ILE 16 HA ILE 16 10.750 14.674 3.232
118 HB ILE 16 HB ILE 16 13.195 14.837 5.001
119 HG12 ILE 16 HG13 ILE 16 11.134 15.128 6.266
120 HG13 ILE 16 HG12 ILE 16 11.964 16.665 6.102
121 HG21 ILE 16 HG21 ILE 16 12.060 17.010 3.265
122 HG22 ILE 16 HG22 ILE 16 13.330 15.920 2.720
123 HG23 ILE 16 HG23 ILE 16 13.616 16.982 4.101
124 HD11 ILE 16 HD11 ILE 16 10.422 17.509 4.629
125 HD12 ILE 16 HD12 ILE 16 9.426 16.582 5.751
126 HD13 ILE 16 HD13 ILE 16 9.857 15.907 4.180
127 HA PRO 17 HA PRO 17 12.855 12.372 0.114
128 HB2 PRO 17 HB2 PRO 17 13.245 15.028 -1.149
129 HB3 PRO 17 HB3 PRO 17 12.487 13.573 -1.800
130 HG2 PRO 17 HG3 PRO 17 11.045 15.691 -1.021
131 HG3 PRO 17 HG2 PRO 17 10.456 14.031 -0.823
132 HD2 PRO 17 HD3 PRO 17 11.513 15.921 1.213
133 HD3 PRO 17 HD2 PRO 17 10.298 14.649 1.375
134 H GLN 18 H GLN 18 14.850 11.692 0.017
135 HA GLN 18 HA GLN 18 17.065 13.358 0.930
136 HB2 GLN 18 HB3 GLN 18 17.078 10.501 -0.071
137 HB3 GLN 18 HB2 GLN 18 18.360 11.309 0.821
138 HG2 GLN 18 HG3 GLN 18 17.136 11.300 2.811
139 HG3 GLN 18 HG2 GLN 18 15.624 10.939 1.979
140 HE21 GLN 18 HE22 GLN 18 16.737 8.906 0.283
141 HE22 GLN 18 HE21 GLN 18 17.030 7.526 1.287
142 H ASN 19 H ASN 19 15.830 11.772 -1.916
143 HA ASN 19 HA ASN 19 17.858 13.116 -3.576
144 HB2 ASN 19 HB3 ASN 19 16.390 10.505 -3.939
145 HB3 ASN 19 HB2 ASN 19 17.180 11.317 -5.284
146 HD21 ASN 19 HD22 ASN 19 18.620 9.658 -5.606
147 HD22 ASN 19 HD21 ASN 19 19.918 9.318 -4.508
148 H ASP 20 H ASP 20 17.057 13.604 -5.815
149 HA ASP 20 HA ASP 20 14.739 15.255 -5.617
150 HB2 ASP 20 HB3 ASP 20 16.608 15.962 -6.975
151 HB3 ASP 20 HB2 ASP 20 16.502 14.504 -7.955
152 H ASP 21 H ASP 21 15.245 12.014 -6.503
153 HA ASP 21 HA ASP 21 12.877 11.761 -8.147
154 HB2 ASP 21 HB3 ASP 21 14.795 9.711 -7.024
155 HB3 ASP 21 HB2 ASP 21 13.415 9.300 -8.035
156 H GLU 22 H GLU 22 13.498 11.889 -4.853
157 HA GLU 22 HA GLU 22 11.542 9.920 -4.071
158 HB2 GLU 22 HB3 GLU 22 13.189 11.854 -2.442
159 HB3 GLU 22 HB2 GLU 22 12.144 10.611 -1.764
160 HG2 GLU 22 HG3 GLU 22 13.491 8.894 -2.910
161 HG3 GLU 22 HG2 GLU 22 14.561 10.161 -3.501
162 H LEU 23 H LEU 23 9.972 10.537 -2.350
163 HA LEU 23 HA LEU 23 8.360 12.777 -3.377
164 HB2 LEU 23 HB3 LEU 23 7.526 10.417 -3.570
165 HB3 LEU 23 HB2 LEU 23 7.490 10.354 -1.824
166 HG LEU 23 HG LEU 23 5.765 12.034 -1.738
167 HD11 LEU 23 HD11 LEU 23 4.784 12.974 -3.773
168 HD12 LEU 23 HD12 LEU 23 5.986 12.133 -4.745
169 HD13 LEU 23 HD13 LEU 23 6.488 13.408 -3.637
170 HD21 LEU 23 HD21 LEU 23 4.046 10.794 -3.161
171 HD22 LEU 23 HD22 LEU 23 4.924 9.870 -1.937
172 HD23 LEU 23 HD23 LEU 23 5.406 9.767 -3.627
173 H GLU 24 H GLU 24 7.558 14.311 -1.931
174 HA GLU 24 HA GLU 24 8.643 14.267 0.734
175 HB2 GLU 24 HB3 GLU 24 8.064 16.369 -0.741
176 HB3 GLU 24 HB2 GLU 24 6.468 16.172 -0.015
177 HG2 GLU 24 HG3 GLU 24 7.829 16.005 2.208
178 HG3 GLU 24 HG2 GLU 24 9.067 16.826 1.270
179 H LEU 25 H LEU 25 7.788 13.267 2.364
180 HA LEU 25 HA LEU 25 5.067 12.197 2.068
181 HB2 LEU 25 HB3 LEU 25 7.000 10.638 1.829
182 HB3 LEU 25 HB2 LEU 25 7.476 11.036 3.461
183 HG LEU 25 HG LEU 25 6.270 8.832 3.051
184 HD11 LEU 25 HD11 LEU 25 4.949 9.078 5.160
185 HD12 LEU 25 HD12 LEU 25 5.426 10.771 5.149
186 HD13 LEU 25 HD13 LEU 25 6.652 9.519 5.257
187 HD21 LEU 25 HD21 LEU 25 3.742 9.150 3.254
188 HD22 LEU 25 HD22 LEU 25 4.488 9.397 1.671
189 HD23 LEU 25 HD23 LEU 25 4.052 10.785 2.662
190 H ARG 26 H ARG 26 3.657 12.498 3.748
191 HA ARG 26 HA ARG 26 4.763 13.721 6.190
192 HB2 ARG 26 HB3 ARG 26 2.080 14.227 4.902
193 HB3 ARG 26 HB2 ARG 26 2.566 14.845 6.472
194 HG2 ARG 26 HG3 ARG 26 3.909 15.467 3.851
195 HG3 ARG 26 HG2 ARG 26 2.808 16.525 4.733
196 HD2 ARG 26 HD3 ARG 26 4.329 16.688 6.560
197 HD3 ARG 26 HD2 ARG 26 5.391 15.473 5.854
198 HE ARG 26 HE ARG 26 5.379 17.350 3.943
199 HH11 ARG 26 HH11 ARG 26 5.778 17.639 7.416
200 HH12 ARG 26 HH12 ARG 26 6.869 18.985 7.297
201 HH21 ARG 26 HH22 ARG 26 6.782 19.117 3.793
202 HH22 ARG 26 HH21 ARG 26 7.435 19.825 5.243
203 H ASP 27 H ASP 27 3.608 13.244 8.177
204 HA ASP 27 HA ASP 27 3.267 10.529 8.570
205 HB2 ASP 27 HB3 ASP 27 2.292 11.081 10.753
206 HB3 ASP 27 HB2 ASP 27 3.728 12.033 10.416
207 H GLY 28 H GLY 28 1.595 9.158 8.626
208 HA2 GLY 28 HA3 GLY 28 -0.470 8.271 8.211
209 HA3 GLY 28 HA2 GLY 28 -1.146 9.847 8.572
210 H ASP 29 H ASP 29 1.144 9.216 5.985
211 HA ASP 29 HA ASP 29 -0.919 9.953 4.033
212 HB2 ASP 29 HB3 ASP 29 1.795 10.595 4.261
213 HB3 ASP 29 HB2 ASP 29 1.702 9.476 2.908
214 H ILE 30 H ILE 30 -1.114 8.684 2.062
215 HA ILE 30 HA ILE 30 -0.652 5.843 2.631
216 HB ILE 30 HB ILE 30 -2.678 7.150 0.803
217 HG12 ILE 30 HG13 ILE 30 -4.284 5.947 2.333
218 HG13 ILE 30 HG12 ILE 30 -2.923 5.601 3.383
219 HG21 ILE 30 HG21 ILE 30 -2.349 4.205 1.343
220 HG22 ILE 30 HG22 ILE 30 -1.748 5.014 -0.099
221 HG23 ILE 30 HG23 ILE 30 -3.480 4.973 0.226
222 HD11 ILE 30 HD11 ILE 30 -4.305 7.505 4.117
223 HD12 ILE 30 HD12 ILE 30 -3.843 8.365 2.648
224 HD13 ILE 30 HD13 ILE 30 -2.614 7.920 3.837
225 H VAL 31 H VAL 31 0.545 4.624 1.271
226 HA VAL 31 HA VAL 31 1.633 6.004 -1.080
227 HB VAL 31 HB VAL 31 3.421 5.514 0.394
228 HG11 VAL 31 HG11 VAL 31 2.428 2.671 0.470
229 HG12 VAL 31 HG12 VAL 31 2.378 3.832 1.796
230 HG13 VAL 31 HG13 VAL 31 3.928 3.247 1.194
231 HG21 VAL 31 HG21 VAL 31 3.384 3.437 -1.787
232 HG22 VAL 31 HG22 VAL 31 4.818 4.017 -0.939
233 HG23 VAL 31 HG23 VAL 31 3.892 5.117 -1.961
234 H ASP 32 H ASP 32 1.214 5.294 -2.963
235 HA ASP 32 HA ASP 32 0.355 2.510 -3.372
236 HB2 ASP 32 HB3 ASP 32 -0.536 5.031 -4.785
237 HB3 ASP 32 HB2 ASP 32 -0.810 3.421 -5.444
238 H VAL 33 H VAL 33 1.851 1.395 -4.453
239 HA VAL 33 HA VAL 33 4.120 2.820 -5.426
240 HB VAL 33 HB VAL 33 4.983 1.033 -4.443
241 HG11 VAL 33 HG11 VAL 33 2.431 -0.358 -5.067
242 HG12 VAL 33 HG12 VAL 33 3.167 0.053 -3.512
243 HG13 VAL 33 HG13 VAL 33 3.840 -1.253 -4.490
244 HG21 VAL 33 HG21 VAL 33 4.402 -0.037 -7.185
245 HG22 VAL 33 HG22 VAL 33 5.409 -0.893 -6.013
246 HG23 VAL 33 HG23 VAL 33 5.883 0.707 -6.574
247 H MET 34 H MET 34 4.562 3.456 -7.290
248 HA MET 34 HA MET 34 2.904 2.795 -9.573
249 HB2 MET 34 HB3 MET 34 5.161 4.776 -9.175
250 HB3 MET 34 HB2 MET 34 4.306 4.559 -10.701
251 HG2 MET 34 HG3 MET 34 3.044 5.386 -8.101
252 HG3 MET 34 HG2 MET 34 3.487 6.477 -9.413
253 HE1 MET 34 HE1 MET 34 2.295 6.502 -11.786
254 HE2 MET 34 HE2 MET 34 1.058 5.340 -12.266
255 HE3 MET 34 HE3 MET 34 2.713 4.800 -11.984
256 H GLU 35 H GLU 35 6.196 2.366 -8.436
257 HA GLU 35 HA GLU 35 6.545 0.179 -10.320
258 HB2 GLU 35 HB3 GLU 35 7.442 2.115 -11.540
259 HB3 GLU 35 HB2 GLU 35 8.512 2.465 -10.189
260 HG2 GLU 35 HG3 GLU 35 9.716 1.327 -11.954
261 HG3 GLU 35 HG2 GLU 35 9.618 0.325 -10.507
262 H LYS 36 H LYS 36 7.992 -1.354 -9.629
263 HA LYS 36 HA LYS 36 8.706 -1.082 -6.786
264 HB2 LYS 36 HB3 LYS 36 8.230 -3.563 -8.421
265 HB3 LYS 36 HB2 LYS 36 8.633 -3.537 -6.715
266 HG2 LYS 36 HG3 LYS 36 6.556 -2.653 -6.116
267 HG3 LYS 36 HG2 LYS 36 6.196 -2.153 -7.771
268 HD2 LYS 36 HD3 LYS 36 6.501 -5.020 -6.903
269 HD3 LYS 36 HD2 LYS 36 4.952 -4.180 -7.007
270 HE2 LYS 36 HE3 LYS 36 5.305 -3.787 -9.383
271 HE3 LYS 36 HE2 LYS 36 6.887 -4.560 -9.291
272 HZ1 LYS 36 HZ1 LYS 36 5.190 -6.039 -10.182
273 HZ2 LYS 36 HZ2 LYS 36 4.291 -5.902 -8.750
274 HZ3 LYS 36 HZ3 LYS 36 5.819 -6.634 -8.729
275 H CYS 37 H CYS 37 10.770 -0.520 -6.622
276 HA CYS 37 HA CYS 37 12.770 -1.564 -8.444
277 HB2 CYS 37 HB3 CYS 37 13.188 0.126 -5.968
278 HB3 CYS 37 HB2 CYS 37 14.329 -0.131 -7.287
279 HG CYS 37 HG CYS 37 12.053 2.202 -6.967
280 H ASP 38 H ASP 38 13.805 -3.397 -8.100
281 HA ASP 38 HA ASP 38 13.202 -5.058 -5.905
282 HB2 ASP 38 HB3 ASP 38 15.245 -5.233 -8.095
283 HB3 ASP 38 HB2 ASP 38 15.127 -6.464 -6.843
284 H ASP 39 H ASP 39 15.248 -2.452 -6.007
285 HA ASP 39 HA ASP 39 17.240 -3.523 -4.199
286 HB2 ASP 39 HB3 ASP 39 17.722 -1.791 -5.998
287 HB3 ASP 39 HB2 ASP 39 16.880 -0.632 -4.975
288 H GLY 40 H GLY 40 14.130 -2.669 -3.792
289 HA2 GLY 40 HA3 GLY 40 13.291 -2.985 -1.541
290 HA3 GLY 40 HA2 GLY 40 14.662 -2.063 -0.954
291 H TRP 41 H TRP 41 13.445 -0.599 -3.696
292 HA TRP 41 HA TRP 41 11.936 1.313 -2.028
293 HB2 TRP 41 HB3 TRP 41 13.552 1.808 -4.547
294 HB3 TRP 41 HB2 TRP 41 12.606 3.021 -3.708
295 HD1 TRP 41 HD1 TRP 41 15.385 0.561 -2.579
296 HE1 TRP 41 HE1 TRP 41 17.075 1.876 -1.153
297 HE3 TRP 41 HE3 TRP 41 13.205 5.173 -2.826
298 HZ2 TRP 41 HZ2 TRP 41 17.431 4.534 -0.262
299 HZ3 TRP 41 HZ3 TRP 41 14.290 7.050 -1.664
300 HH2 TRP 41 HH2 TRP 41 16.359 6.735 -0.410
301 H PHE 42 H PHE 42 9.842 1.780 -2.671
302 HA PHE 42 HA PHE 42 9.157 0.995 -5.429
303 HB2 PHE 42 HB3 PHE 42 7.004 1.445 -3.360
304 HB3 PHE 42 HB2 PHE 42 6.961 0.494 -4.828
305 HD1 PHE 42 HD1 PHE 42 8.768 -1.501 -4.822
306 HD2 PHE 42 HD2 PHE 42 6.985 0.271 -1.395
307 HE1 PHE 42 HE1 PHE 42 9.205 -3.557 -3.540
308 HE2 PHE 42 HE2 PHE 42 7.425 -1.772 -0.100
309 HZ PHE 42 HZ PHE 42 8.537 -3.691 -1.170
310 H VAL 43 H VAL 43 7.648 2.470 -6.517
311 HA VAL 43 HA VAL 43 8.213 5.240 -5.786
312 HB VAL 43 HB VAL 43 6.493 4.427 -8.099
313 HG11 VAL 43 HG11 VAL 43 8.291 6.754 -7.527
314 HG12 VAL 43 HG12 VAL 43 6.543 6.741 -7.777
315 HG13 VAL 43 HG13 VAL 43 7.629 6.426 -9.128
316 HG21 VAL 43 HG21 VAL 43 8.610 4.404 -9.486
317 HG22 VAL 43 HG22 VAL 43 8.333 3.002 -8.453
318 HG23 VAL 43 HG23 VAL 43 9.476 4.241 -7.965
319 H GLY 44 H GLY 44 6.384 6.764 -5.678
320 HA2 GLY 44 HA3 GLY 44 3.862 5.538 -4.896
321 HA3 GLY 44 HA2 GLY 44 4.773 6.333 -3.619
322 H THR 45 H THR 45 2.172 7.001 -4.622
323 HA THR 45 HA THR 45 2.749 9.671 -5.709
324 HB THR 45 HB THR 45 0.030 8.338 -5.635
325 HG1 THR 45 HG1 THR 45 1.178 6.976 -6.933
326 HG21 THR 45 HG21 THR 45 1.073 10.398 -7.563
327 HG22 THR 45 HG22 THR 45 0.364 10.844 -6.013
328 HG23 THR 45 HG23 THR 45 -0.604 9.975 -7.205
329 H SER 46 H SER 46 2.347 11.390 -4.428
330 HA SER 46 HA SER 46 1.637 10.895 -1.686
331 HB2 SER 46 HB3 SER 46 3.381 12.514 -2.213
332 HB3 SER 46 HB2 SER 46 2.238 13.474 -3.151
333 HG SER 46 HG SER 46 2.191 12.987 -0.353
334 H ARG 47 H ARG 47 -0.282 11.075 -0.758
335 HA ARG 47 HA ARG 47 -2.576 11.877 -2.290
336 HB2 ARG 47 HB3 ARG 47 -2.149 10.771 0.461
337 HB3 ARG 47 HB2 ARG 47 -3.712 11.430 0.007
338 HG2 ARG 47 HG3 ARG 47 -3.691 9.038 -0.284
339 HG3 ARG 47 HG2 ARG 47 -3.831 9.841 -1.847
340 HD2 ARG 47 HD3 ARG 47 -1.293 9.570 -2.001
341 HD3 ARG 47 HD2 ARG 47 -1.460 8.442 -0.660
342 HE ARG 47 HE ARG 47 -2.337 6.890 -2.091
343 HH11 ARG 47 HH11 ARG 47 -2.373 10.012 -3.698
344 HH12 ARG 47 HH12 ARG 47 -2.797 9.347 -5.247
345 HH21 ARG 47 HH22 ARG 47 -2.859 6.025 -4.108
346 HH22 ARG 47 HH21 ARG 47 -3.074 7.080 -5.483
347 H ARG 48 H ARG 48 -0.374 13.777 -1.256
348 HA ARG 48 HA ARG 48 -2.106 15.731 0.075
349 HB2 ARG 48 HB3 ARG 48 0.873 15.569 -0.322
350 HB3 ARG 48 HB2 ARG 48 0.070 16.987 0.340
351 HG2 ARG 48 HG3 ARG 48 -0.732 15.672 2.217
352 HG3 ARG 48 HG2 ARG 48 0.016 14.224 1.535
353 HD2 ARG 48 HD3 ARG 48 1.378 15.282 3.305
354 HD3 ARG 48 HD2 ARG 48 2.203 15.190 1.748
355 HE ARG 48 HE ARG 48 0.840 17.670 2.572
356 HH11 ARG 48 HH11 ARG 48 3.763 15.973 1.648
357 HH12 ARG 48 HH12 ARG 48 4.723 17.420 1.526
358 HH21 ARG 48 HH22 ARG 48 2.092 19.580 2.359
359 HH22 ARG 48 HH21 ARG 48 3.765 19.469 1.880
360 H THR 49 H THR 49 0.491 15.817 -2.352
361 HA THR 49 HA THR 49 -0.894 18.088 -3.597
362 HB THR 49 HB THR 49 1.242 18.653 -2.540
363 HG1 THR 49 HG1 THR 49 1.068 18.790 -5.370
364 HG21 THR 49 HG21 THR 49 2.509 16.781 -4.536
365 HG22 THR 49 HG22 THR 49 2.309 16.441 -2.816
366 HG23 THR 49 HG23 THR 49 3.341 17.773 -3.338
367 H LYS 50 H LYS 50 -0.839 15.008 -4.142
368 HA LYS 50 HA LYS 50 -1.143 13.656 -5.930
369 HB2 LYS 50 HB3 LYS 50 -1.596 16.311 -7.286
370 HB3 LYS 50 HB2 LYS 50 -1.954 14.755 -8.021
371 HG2 LYS 50 HG3 LYS 50 -3.194 15.805 -5.488
372 HG3 LYS 50 HG2 LYS 50 -3.943 15.828 -7.083
373 HD2 LYS 50 HD3 LYS 50 -3.604 13.317 -7.105
374 HD3 LYS 50 HD2 LYS 50 -3.227 13.450 -5.392
375 HE2 LYS 50 HE3 LYS 50 -5.398 14.359 -4.922
376 HE3 LYS 50 HE2 LYS 50 -5.780 14.448 -6.641
377 HZ1 LYS 50 HZ1 LYS 50 -5.333 11.952 -5.087
378 HZ2 LYS 50 HZ2 LYS 50 -5.671 12.031 -6.747
379 HZ3 LYS 50 HZ3 LYS 50 -6.830 12.538 -5.621
380 H GLN 51 H GLN 51 1.611 14.507 -5.386
381 HA GLN 51 HA GLN 51 2.728 14.408 -8.080
382 HB2 GLN 51 HB3 GLN 51 3.982 15.154 -5.449
383 HB3 GLN 51 HB2 GLN 51 4.913 14.909 -6.919
384 HG2 GLN 51 HG3 GLN 51 3.497 16.657 -8.002
385 HG3 GLN 51 HG2 GLN 51 2.804 16.974 -6.417
386 HE21 GLN 51 HE22 GLN 51 6.145 16.113 -6.996
387 HE22 GLN 51 HE21 GLN 51 6.815 17.646 -6.548
388 H PHE 52 H PHE 52 4.782 13.125 -8.245
389 HA PHE 52 HA PHE 52 4.258 10.468 -7.081
390 HB2 PHE 52 HB3 PHE 52 5.310 11.101 -9.855
391 HB3 PHE 52 HB2 PHE 52 5.029 9.492 -9.209
392 HD1 PHE 52 HD2 PHE 52 3.353 12.619 -10.261
393 HD2 PHE 52 HD1 PHE 52 2.914 8.489 -9.337
394 HE1 PHE 52 HE2 PHE 52 1.069 12.665 -11.167
395 HE2 PHE 52 HE1 PHE 52 0.629 8.526 -10.250
396 HZ PHE 52 HZ PHE 52 -0.297 10.617 -11.165
397 H GLY 53 H GLY 53 5.845 9.969 -5.722
398 HA2 GLY 53 HA3 GLY 53 8.622 10.435 -6.614
399 HA3 GLY 53 HA2 GLY 53 8.132 10.902 -4.991
400 H THR 54 H THR 54 10.167 8.945 -5.773
401 HA THR 54 HA THR 54 8.897 6.479 -4.809
402 HB THR 54 HB THR 54 10.174 6.251 -6.882
403 HG1 THR 54 HG1 THR 54 10.271 4.661 -4.932
404 HG21 THR 54 HG21 THR 54 12.667 6.453 -6.799
405 HG22 THR 54 HG22 THR 54 12.499 7.237 -5.228
406 HG23 THR 54 HG23 THR 54 11.809 7.990 -6.666
407 H PHE 55 H PHE 55 9.614 5.435 -2.962
408 HA PHE 55 HA PHE 55 11.875 6.396 -1.488
409 HB2 PHE 55 HB3 PHE 55 10.585 7.012 0.557
410 HB3 PHE 55 HB2 PHE 55 10.341 8.117 -0.782
411 HD1 PHE 55 HD1 PHE 55 8.187 8.195 -1.957
412 HD2 PHE 55 HD2 PHE 55 8.813 5.679 1.423
413 HE1 PHE 55 HE1 PHE 55 5.758 7.951 -1.692
414 HE2 PHE 55 HE2 PHE 55 6.381 5.425 1.687
415 HZ PHE 55 HZ PHE 55 4.850 6.563 0.129
416 HA PRO 56 HA PRO 56 12.071 2.349 0.136
417 HB2 PRO 56 HB2 PRO 56 11.968 3.350 2.925
418 HB3 PRO 56 HB3 PRO 56 13.201 2.371 2.125
419 HG2 PRO 56 HG3 PRO 56 13.618 4.956 2.672
420 HG3 PRO 56 HG2 PRO 56 14.245 4.209 1.192
421 HD2 PRO 56 HD3 PRO 56 11.904 6.026 1.555
422 HD3 PRO 56 HD2 PRO 56 13.056 5.914 0.209
423 H GLY 57 H GLY 57 10.589 0.795 0.388
424 HA2 GLY 57 HA3 GLY 57 7.954 1.520 1.405
425 HA3 GLY 57 HA2 GLY 57 8.357 0.062 0.515
426 H ASN 58 H ASN 58 10.552 0.705 3.003
427 HA ASN 58 HA ASN 58 9.254 -1.303 4.720
428 HB2 ASN 58 HB3 ASN 58 11.493 -1.761 5.624
429 HB3 ASN 58 HB2 ASN 58 11.474 -1.954 3.875
430 HD21 ASN 58 HD22 ASN 58 13.712 -1.428 5.685
431 HD22 ASN 58 HD21 ASN 58 14.445 0.039 5.126
432 H TYR 59 H TYR 59 9.029 1.766 4.533
433 HA TYR 59 HA TYR 59 9.718 2.385 7.325
434 HB2 TYR 59 HB3 TYR 59 11.065 3.768 6.001
435 HB3 TYR 59 HB2 TYR 59 9.824 3.966 4.775
436 HD1 TYR 59 HD2 TYR 59 11.069 5.157 8.016
437 HD2 TYR 59 HD1 TYR 59 8.126 5.613 4.987
438 HE1 TYR 59 HE2 TYR 59 10.447 7.337 8.968
439 HE2 TYR 59 HE1 TYR 59 7.495 7.811 5.923
440 HH TYR 59 HH TYR 59 9.392 9.421 8.240
441 H VAL 60 H VAL 60 7.268 1.577 5.381
442 HA VAL 60 HA VAL 60 5.314 3.365 6.663
443 HB VAL 60 HB VAL 60 5.659 3.752 4.217
444 HG11 VAL 60 HG11 VAL 60 4.517 2.011 2.722
445 HG12 VAL 60 HG12 VAL 60 4.831 0.902 4.059
446 HG13 VAL 60 HG13 VAL 60 6.169 1.724 3.265
447 HG21 VAL 60 HG21 VAL 60 3.211 3.565 3.609
448 HG22 VAL 60 HG22 VAL 60 3.629 4.509 5.041
449 HG23 VAL 60 HG23 VAL 60 3.000 2.876 5.218
450 H LYS 61 H LYS 61 3.119 2.333 6.971
451 HA LYS 61 HA LYS 61 3.383 -0.589 7.276
452 HB2 LYS 61 HB3 LYS 61 2.579 -0.585 9.421
453 HB3 LYS 61 HB2 LYS 61 3.444 0.944 9.416
454 HG2 LYS 61 HG3 LYS 61 1.462 2.188 9.295
455 HG3 LYS 61 HG2 LYS 61 0.506 0.781 8.828
456 HD2 LYS 61 HD3 LYS 61 1.882 1.134 11.481
457 HD3 LYS 61 HD2 LYS 61 0.168 1.429 11.191
458 HE2 LYS 61 HE3 LYS 61 1.493 -1.208 10.617
459 HE3 LYS 61 HE2 LYS 61 0.786 -0.825 12.188
460 HZ1 LYS 61 HZ1 LYS 61 -1.347 -0.586 11.197
461 HZ2 LYS 61 HZ2 LYS 61 -0.706 -2.060 10.659
462 HZ3 LYS 61 HZ3 LYS 61 -0.717 -0.714 9.630
463 HA PRO 62 HA PRO 62 -0.222 -1.278 4.928
464 HB2 PRO 62 HB2 PRO 62 -1.506 -3.142 6.511
465 HB3 PRO 62 HB3 PRO 62 -0.165 -3.503 5.417
466 HG2 PRO 62 HG3 PRO 62 -0.104 -2.937 8.364
467 HG3 PRO 62 HG2 PRO 62 0.724 -4.219 7.465
468 HD2 PRO 62 HD3 PRO 62 2.056 -2.075 8.205
469 HD3 PRO 62 HD2 PRO 62 2.290 -2.726 6.566
470 H LEU 63 H LEU 63 -2.269 -0.572 4.670
471 HA LEU 63 HA LEU 63 -3.462 1.208 6.489
472 HB2 LEU 63 HB3 LEU 63 -4.616 -0.259 4.119
473 HB3 LEU 63 HB2 LEU 63 -5.460 1.007 4.989
474 HG LEU 63 HG LEU 63 -2.896 1.320 3.431
475 HD11 LEU 63 HD11 LEU 63 -4.875 1.072 2.024
476 HD12 LEU 63 HD12 LEU 63 -4.259 2.723 1.965
477 HD13 LEU 63 HD13 LEU 63 -5.687 2.349 2.931
478 HD21 LEU 63 HD21 LEU 63 -4.519 3.401 4.869
479 HD22 LEU 63 HD22 LEU 63 -3.024 3.651 3.965
480 HD23 LEU 63 HD23 LEU 63 -3.008 2.704 5.454
481 H TYR 64 H TYR 64 -5.584 1.006 7.472
482 HA TYR 64 HA TYR 64 -5.809 -1.278 9.094
483 HB2 TYR 64 HB3 TYR 64 -7.335 1.197 8.714
484 HB3 TYR 64 HB2 TYR 64 -8.177 -0.132 9.485
485 HD1 TYR 64 HD1 TYR 64 -5.475 2.314 9.801
486 HD2 TYR 64 HD2 TYR 64 -7.478 -0.939 11.669
487 HE1 TYR 64 HE1 TYR 64 -4.393 2.882 11.936
488 HE2 TYR 64 HE2 TYR 64 -6.405 -0.380 13.809
489 HH TYR 64 HH TYR 64 -4.380 0.781 14.602
Start of MODEL 7
1 H1 GLN 1 H1 GLN 1 0.266 0.638 -15.322
2 H2 GLN 1 H2 GLN 1 1.511 -0.252 -14.615
3 H3 GLN 1 H3 GLN 1 -0.044 -0.295 -13.948
4 HA GLN 1 HA GLN 1 -0.908 -1.398 -15.880
5 HB2 GLN 1 HB3 GLN 1 1.959 -1.372 -16.854
6 HB3 GLN 1 HB2 GLN 1 0.598 -2.131 -17.666
7 HG2 GLN 1 HG3 GLN 1 0.883 0.821 -17.155
8 HG3 GLN 1 HG2 GLN 1 1.251 0.010 -18.675
9 HE21 GLN 1 HE22 GLN 1 -0.971 -1.826 -18.527
10 HE22 GLN 1 HE21 GLN 1 -2.402 -0.902 -18.840
11 H THR 2 H THR 2 -0.531 -2.170 -13.383
12 HA THR 2 HA THR 2 1.367 -4.385 -13.308
13 HB THR 2 HB THR 2 0.541 -4.466 -10.858
14 HG1 THR 2 HG1 THR 2 -0.872 -2.992 -10.291
15 HG21 THR 2 HG21 THR 2 2.031 -2.039 -11.867
16 HG22 THR 2 HG22 THR 2 2.741 -3.617 -11.526
17 HG23 THR 2 HG23 THR 2 2.058 -2.655 -10.215
18 H SER 3 H SER 3 0.635 -6.256 -14.088
19 HA SER 3 HA SER 3 -2.053 -7.113 -14.088
20 HB2 SER 3 HB3 SER 3 0.269 -9.020 -14.024
21 HB3 SER 3 HB2 SER 3 -1.237 -9.141 -14.937
22 HG SER 3 HG SER 3 -0.259 -8.191 -16.524
23 H GLN 4 H GLN 4 0.708 -7.836 -12.027
24 HA GLN 4 HA GLN 4 -0.890 -9.135 -10.020
25 HB2 GLN 4 HB3 GLN 4 1.968 -8.177 -10.039
26 HB3 GLN 4 HB2 GLN 4 1.221 -8.945 -8.644
27 HG2 GLN 4 HG3 GLN 4 0.779 -10.931 -9.999
28 HG3 GLN 4 HG2 GLN 4 1.604 -10.171 -11.363
29 HE21 GLN 4 HE22 GLN 4 3.848 -9.863 -11.261
30 HE22 GLN 4 HE21 GLN 4 4.842 -10.746 -10.152
31 H ASP 5 H ASP 5 -1.774 -8.240 -8.253
32 HA ASP 5 HA ASP 5 -1.982 -5.356 -8.283
33 HB2 ASP 5 HB3 ASP 5 -3.980 -6.814 -7.951
34 HB3 ASP 5 HB2 ASP 5 -3.302 -7.287 -6.401
35 H LEU 6 H LEU 6 -1.606 -4.038 -6.504
36 HA LEU 6 HA LEU 6 0.643 -4.960 -4.876
37 HB2 LEU 6 HB3 LEU 6 -0.122 -2.252 -5.919
38 HB3 LEU 6 HB2 LEU 6 1.154 -2.507 -4.749
39 HG LEU 6 HG LEU 6 1.072 -3.696 -7.502
40 HD11 LEU 6 HD11 LEU 6 3.029 -1.649 -6.549
41 HD12 LEU 6 HD12 LEU 6 1.451 -1.157 -7.149
42 HD13 LEU 6 HD13 LEU 6 2.551 -2.052 -8.200
43 HD21 LEU 6 HD21 LEU 6 3.517 -4.157 -6.903
44 HD22 LEU 6 HD22 LEU 6 2.282 -5.190 -6.178
45 HD23 LEU 6 HD23 LEU 6 3.012 -3.899 -5.232
46 H PHE 7 H PHE 7 0.616 -2.731 -3.098
47 HA PHE 7 HA PHE 7 -1.950 -2.969 -1.709
48 HB2 PHE 7 HB3 PHE 7 0.517 -3.207 -0.043
49 HB3 PHE 7 HB2 PHE 7 -1.110 -3.770 0.292
50 HD1 PHE 7 HD2 PHE 7 -1.930 -5.872 -0.703
51 HD2 PHE 7 HD1 PHE 7 2.107 -4.597 -1.142
52 HE1 PHE 7 HE2 PHE 7 -1.286 -8.151 -1.374
53 HE2 PHE 7 HE1 PHE 7 2.759 -6.872 -1.810
54 HZ PHE 7 HZ PHE 7 1.063 -8.653 -1.928
55 H SER 8 H SER 8 -1.972 -1.473 0.208
56 HA SER 8 HA SER 8 -0.349 0.930 -0.305
57 HB2 SER 8 HB3 SER 8 -3.146 1.037 0.786
58 HB3 SER 8 HB2 SER 8 -2.192 2.342 0.102
59 HG SER 8 HG SER 8 -2.334 1.253 -1.929
60 H TYR 9 H TYR 9 0.378 2.035 1.492
61 HA TYR 9 HA TYR 9 -0.079 0.726 4.091
62 HB2 TYR 9 HB3 TYR 9 2.601 1.666 3.023
63 HB3 TYR 9 HB2 TYR 9 2.305 1.093 4.648
64 HD1 TYR 9 HD2 TYR 9 1.870 -0.118 1.114
65 HD2 TYR 9 HD1 TYR 9 2.874 -1.024 5.135
66 HE1 TYR 9 HE2 TYR 9 2.422 -2.423 0.448
67 HE2 TYR 9 HE1 TYR 9 3.436 -3.329 4.491
68 HH TYR 9 HH TYR 9 3.852 -4.284 1.281
69 H GLN 10 H GLN 10 0.259 2.126 5.926
70 HA GLN 10 HA GLN 10 0.022 4.986 5.229
71 HB2 GLN 10 HB3 GLN 10 -1.977 3.940 6.365
72 HB3 GLN 10 HB2 GLN 10 -0.956 3.675 7.774
73 HG2 GLN 10 HG3 GLN 10 -0.641 6.032 8.076
74 HG3 GLN 10 HG2 GLN 10 -1.442 6.377 6.544
75 HE21 GLN 10 HE22 GLN 10 -3.653 6.260 6.407
76 HE22 GLN 10 HE21 GLN 10 -4.677 6.198 7.800
77 H ALA 11 H ALA 11 1.482 6.345 6.041
78 HA ALA 11 HA ALA 11 3.874 5.152 7.081
79 HB1 ALA 11 HB1 ALA 11 4.942 7.167 6.575
80 HB2 ALA 11 HB2 ALA 11 3.437 8.073 6.635
81 HB3 ALA 11 HB3 ALA 11 3.734 6.953 5.307
82 H LEU 12 H LEU 12 4.860 5.478 8.974
83 HA LEU 12 HA LEU 12 3.159 5.973 11.216
84 HB2 LEU 12 HB3 LEU 12 6.146 5.583 11.173
85 HB3 LEU 12 HB2 LEU 12 5.059 5.313 12.524
86 HG LEU 12 HG LEU 12 4.810 3.741 9.981
87 HD11 LEU 12 HD11 LEU 12 6.547 3.137 12.366
88 HD12 LEU 12 HD12 LEU 12 7.073 3.437 10.708
89 HD13 LEU 12 HD13 LEU 12 6.142 1.986 11.090
90 HD21 LEU 12 HD21 LEU 12 3.941 3.310 12.832
91 HD22 LEU 12 HD22 LEU 12 3.799 2.106 11.548
92 HD23 LEU 12 HD23 LEU 12 2.909 3.621 11.433
93 H TYR 13 H TYR 13 5.625 7.737 9.505
94 HA TYR 13 HA TYR 13 5.141 10.092 11.156
95 HB2 TYR 13 HB3 TYR 13 7.925 9.015 10.600
96 HB3 TYR 13 HB2 TYR 13 7.560 10.551 11.377
97 HD1 TYR 13 HD2 TYR 13 6.575 10.574 13.653
98 HD2 TYR 13 HD1 TYR 13 7.860 6.965 11.810
99 HE1 TYR 13 HE2 TYR 13 6.550 9.455 15.843
100 HE2 TYR 13 HE1 TYR 13 7.839 5.833 13.991
101 HH TYR 13 HH TYR 13 7.915 6.305 16.314
102 H SER 14 H SER 14 6.370 11.994 10.112
103 HA SER 14 HA SER 14 5.799 11.981 7.287
104 HB2 SER 14 HB3 SER 14 7.079 14.208 8.877
105 HB3 SER 14 HB2 SER 14 6.161 14.332 7.374
106 HG SER 14 HG SER 14 5.199 13.692 9.967
107 H TYR 15 H TYR 15 7.264 12.362 5.626
108 HA TYR 15 HA TYR 15 10.114 12.196 6.266
109 HB2 TYR 15 HB3 TYR 15 9.519 9.919 5.779
110 HB3 TYR 15 HB2 TYR 15 8.631 10.387 4.353
111 HD1 TYR 15 HD1 TYR 15 9.799 11.020 2.318
112 HD2 TYR 15 HD2 TYR 15 11.933 9.682 5.735
113 HE1 TYR 15 HE1 TYR 15 11.769 10.600 0.903
114 HE2 TYR 15 HE2 TYR 15 13.917 9.268 4.340
115 HH TYR 15 HH TYR 15 14.099 10.309 1.022
116 H ILE 16 H ILE 16 11.311 13.506 5.069
117 HA ILE 16 HA ILE 16 9.933 15.049 2.986
118 HB ILE 16 HB ILE 16 12.379 15.773 4.608
119 HG12 ILE 16 HG13 ILE 16 10.316 15.798 5.925
120 HG13 ILE 16 HG12 ILE 16 10.906 17.427 5.650
121 HG21 ILE 16 HG21 ILE 16 10.827 17.562 2.757
122 HG22 ILE 16 HG22 ILE 16 12.277 16.695 2.266
123 HG23 ILE 16 HG23 ILE 16 12.367 17.898 3.552
124 HD11 ILE 16 HD11 ILE 16 9.226 17.941 4.175
125 HD12 ILE 16 HD12 ILE 16 8.405 16.959 5.391
126 HD13 ILE 16 HD13 ILE 16 8.888 16.248 3.852
127 HA PRO 17 HA PRO 17 12.309 12.973 -0.099
128 HB2 PRO 17 HB2 PRO 17 12.177 15.534 -1.571
129 HB3 PRO 17 HB3 PRO 17 11.620 13.930 -2.056
130 HG2 PRO 17 HG3 PRO 17 9.915 15.886 -1.349
131 HG3 PRO 17 HG2 PRO 17 9.587 14.178 -1.014
132 HD2 PRO 17 HD3 PRO 17 10.450 16.340 0.834
133 HD3 PRO 17 HD2 PRO 17 9.425 14.934 1.146
134 H GLN 18 H GLN 18 14.449 12.696 -0.277
135 HA GLN 18 HA GLN 18 16.247 14.881 0.438
136 HB2 GLN 18 HB3 GLN 18 16.933 12.041 -0.360
137 HB3 GLN 18 HB2 GLN 18 18.013 13.211 0.382
138 HG2 GLN 18 HG3 GLN 18 16.452 13.218 2.354
139 HG3 GLN 18 HG2 GLN 18 15.649 11.837 1.611
140 HE21 GLN 18 HE22 GLN 18 19.098 12.429 1.430
141 HE22 GLN 18 HE21 GLN 18 19.570 11.081 2.416
142 H ASN 19 H ASN 19 15.324 12.883 -2.262
143 HA ASN 19 HA ASN 19 16.771 14.713 -4.069
144 HB2 ASN 19 HB3 ASN 19 15.971 11.825 -4.477
145 HB3 ASN 19 HB2 ASN 19 16.662 12.845 -5.731
146 HD21 ASN 19 HD22 ASN 19 17.242 11.023 -2.868
147 HD22 ASN 19 HD21 ASN 19 18.977 11.116 -2.906
148 H ASP 20 H ASP 20 15.695 15.107 -6.149
149 HA ASP 20 HA ASP 20 12.996 15.933 -5.694
150 HB2 ASP 20 HB3 ASP 20 14.811 16.055 -8.094
151 HB3 ASP 20 HB2 ASP 20 13.137 16.596 -8.167
152 H ASP 21 H ASP 21 14.382 13.078 -6.865
153 HA ASP 21 HA ASP 21 12.068 12.273 -8.407
154 HB2 ASP 21 HB3 ASP 21 14.602 10.846 -7.602
155 HB3 ASP 21 HB2 ASP 21 13.276 10.018 -8.413
156 H GLU 22 H GLU 22 12.963 12.372 -5.174
157 HA GLU 22 HA GLU 22 11.313 10.147 -4.340
158 HB2 GLU 22 HB3 GLU 22 12.973 12.202 -2.926
159 HB3 GLU 22 HB2 GLU 22 11.804 11.239 -2.031
160 HG2 GLU 22 HG3 GLU 22 12.952 9.276 -2.380
161 HG3 GLU 22 HG2 GLU 22 13.794 9.895 -3.802
162 H LEU 23 H LEU 23 9.737 10.705 -2.475
163 HA LEU 23 HA LEU 23 7.977 12.837 -3.502
164 HB2 LEU 23 HB3 LEU 23 7.331 10.445 -3.954
165 HB3 LEU 23 HB2 LEU 23 7.122 10.260 -2.223
166 HG LEU 23 HG LEU 23 5.338 11.879 -2.209
167 HD11 LEU 23 HD11 LEU 23 4.538 12.932 -4.267
168 HD12 LEU 23 HD12 LEU 23 5.841 12.167 -5.176
169 HD13 LEU 23 HD13 LEU 23 6.215 13.387 -3.958
170 HD21 LEU 23 HD21 LEU 23 3.788 10.692 -3.803
171 HD22 LEU 23 HD22 LEU 23 4.654 9.674 -2.645
172 HD23 LEU 23 HD23 LEU 23 5.209 9.778 -4.315
173 H GLU 24 H GLU 24 6.804 14.035 -1.990
174 HA GLU 24 HA GLU 24 7.923 14.134 0.641
175 HB2 GLU 24 HB3 GLU 24 6.931 16.084 -0.787
176 HB3 GLU 24 HB2 GLU 24 5.398 15.558 -0.094
177 HG2 GLU 24 HG3 GLU 24 6.913 15.629 2.118
178 HG3 GLU 24 HG2 GLU 24 7.698 16.883 1.168
179 H LEU 25 H LEU 25 7.129 13.336 2.456
180 HA LEU 25 HA LEU 25 4.696 11.698 2.287
181 HB2 LEU 25 HB3 LEU 25 6.879 10.478 2.044
182 HB3 LEU 25 HB2 LEU 25 7.307 11.028 3.646
183 HG LEU 25 HG LEU 25 6.499 8.649 3.402
184 HD11 LEU 25 HD11 LEU 25 4.987 8.889 5.457
185 HD12 LEU 25 HD12 LEU 25 5.435 10.591 5.371
186 HD13 LEU 25 HD13 LEU 25 6.678 9.367 5.563
187 HD21 LEU 25 HD21 LEU 25 3.953 8.506 3.555
188 HD22 LEU 25 HD22 LEU 25 4.673 8.786 1.968
189 HD23 LEU 25 HD23 LEU 25 3.966 10.130 2.860
190 H ARG 26 H ARG 26 3.309 11.983 3.981
191 HA ARG 26 HA ARG 26 4.260 13.620 6.246
192 HB2 ARG 26 HB3 ARG 26 2.480 14.637 4.836
193 HB3 ARG 26 HB2 ARG 26 1.433 13.284 5.226
194 HG2 ARG 26 HG3 ARG 26 0.835 15.102 6.617
195 HG3 ARG 26 HG2 ARG 26 1.647 13.908 7.627
196 HD2 ARG 26 HD3 ARG 26 3.772 15.264 7.174
197 HD3 ARG 26 HD2 ARG 26 2.681 16.526 6.606
198 HE ARG 26 HE ARG 26 2.427 15.386 9.314
199 HH11 ARG 26 HH11 ARG 26 2.780 18.156 7.177
200 HH12 ARG 26 HH12 ARG 26 2.669 19.322 8.467
201 HH21 ARG 26 HH22 ARG 26 2.257 16.909 10.993
202 HH22 ARG 26 HH21 ARG 26 2.374 18.609 10.642
203 H ASP 27 H ASP 27 3.427 13.057 8.376
204 HA ASP 27 HA ASP 27 3.281 10.337 8.960
205 HB2 ASP 27 HB3 ASP 27 2.359 10.979 11.151
206 HB3 ASP 27 HB2 ASP 27 3.754 11.939 10.704
207 H GLY 28 H GLY 28 1.734 8.889 8.950
208 HA2 GLY 28 HA3 GLY 28 -0.299 7.893 8.589
209 HA3 GLY 28 HA2 GLY 28 -1.060 9.433 8.937
210 H ASP 29 H ASP 29 1.315 9.116 6.428
211 HA ASP 29 HA ASP 29 -0.697 9.719 4.399
212 HB2 ASP 29 HB3 ASP 29 2.003 10.407 4.760
213 HB3 ASP 29 HB2 ASP 29 1.976 9.322 3.378
214 H ILE 30 H ILE 30 -0.718 8.476 2.379
215 HA ILE 30 HA ILE 30 -0.291 5.626 2.961
216 HB ILE 30 HB ILE 30 -2.274 6.943 1.091
217 HG12 ILE 30 HG13 ILE 30 -3.922 5.776 2.607
218 HG13 ILE 30 HG12 ILE 30 -2.583 5.424 3.681
219 HG21 ILE 30 HG21 ILE 30 -1.941 4.000 1.659
220 HG22 ILE 30 HG22 ILE 30 -1.406 4.801 0.186
221 HG23 ILE 30 HG23 ILE 30 -3.124 4.741 0.582
222 HD11 ILE 30 HD11 ILE 30 -3.968 7.348 4.361
223 HD12 ILE 30 HD12 ILE 30 -3.443 8.194 2.906
224 HD13 ILE 30 HD13 ILE 30 -2.262 7.732 4.136
225 H VAL 31 H VAL 31 0.671 4.286 1.379
226 HA VAL 31 HA VAL 31 2.060 5.796 -0.721
227 HB VAL 31 HB VAL 31 3.687 4.800 0.675
228 HG11 VAL 31 HG11 VAL 31 2.237 2.180 0.332
229 HG12 VAL 31 HG12 VAL 31 2.286 3.156 1.801
230 HG13 VAL 31 HG13 VAL 31 3.763 2.408 1.189
231 HG21 VAL 31 HG21 VAL 31 3.361 3.100 -1.792
232 HG22 VAL 31 HG22 VAL 31 4.834 3.223 -0.829
233 HG23 VAL 31 HG23 VAL 31 4.215 4.639 -1.678
234 H ASP 32 H ASP 32 1.602 5.488 -2.701
235 HA ASP 32 HA ASP 32 0.263 3.016 -3.583
236 HB2 ASP 32 HB3 ASP 32 -1.250 4.888 -3.876
237 HB3 ASP 32 HB2 ASP 32 0.021 5.852 -4.616
238 H VAL 33 H VAL 33 1.748 1.789 -4.575
239 HA VAL 33 HA VAL 33 4.141 3.057 -5.535
240 HB VAL 33 HB VAL 33 4.899 1.303 -4.419
241 HG11 VAL 33 HG11 VAL 33 2.316 -0.045 -5.033
242 HG12 VAL 33 HG12 VAL 33 2.997 0.472 -3.487
243 HG13 VAL 33 HG13 VAL 33 3.674 -0.923 -4.325
244 HG21 VAL 33 HG21 VAL 33 4.302 0.047 -7.084
245 HG22 VAL 33 HG22 VAL 33 5.331 -0.696 -5.854
246 HG23 VAL 33 HG23 VAL 33 5.784 0.854 -6.561
247 H MET 34 H MET 34 4.548 3.624 -7.431
248 HA MET 34 HA MET 34 2.890 2.834 -9.655
249 HB2 MET 34 HB3 MET 34 5.160 4.800 -9.376
250 HB3 MET 34 HB2 MET 34 4.417 4.423 -10.930
251 HG2 MET 34 HG3 MET 34 2.218 5.070 -9.915
252 HG3 MET 34 HG2 MET 34 3.128 5.650 -8.525
253 HE1 MET 34 HE1 MET 34 5.652 6.979 -9.583
254 HE2 MET 34 HE2 MET 34 4.568 7.829 -8.486
255 HE3 MET 34 HE3 MET 34 5.148 8.630 -9.947
256 H GLU 35 H GLU 35 6.208 2.400 -8.545
257 HA GLU 35 HA GLU 35 6.360 -0.009 -10.177
258 HB2 GLU 35 HB3 GLU 35 7.357 1.901 -11.521
259 HB3 GLU 35 HB2 GLU 35 8.596 2.022 -10.280
260 HG2 GLU 35 HG3 GLU 35 9.396 0.741 -12.170
261 HG3 GLU 35 HG2 GLU 35 9.274 -0.275 -10.733
262 H LYS 36 H LYS 36 7.629 -1.577 -9.255
263 HA LYS 36 HA LYS 36 8.422 -0.984 -6.498
264 HB2 LYS 36 HB3 LYS 36 8.219 -3.761 -6.899
265 HB3 LYS 36 HB2 LYS 36 7.132 -2.735 -5.976
266 HG2 LYS 36 HG3 LYS 36 5.824 -3.968 -7.509
267 HG3 LYS 36 HG2 LYS 36 5.907 -2.325 -8.139
268 HD2 LYS 36 HD3 LYS 36 7.683 -3.014 -9.680
269 HD3 LYS 36 HD2 LYS 36 7.596 -4.659 -9.044
270 HE2 LYS 36 HE3 LYS 36 5.446 -4.987 -9.915
271 HE3 LYS 36 HE2 LYS 36 5.214 -3.268 -10.224
272 HZ1 LYS 36 HZ1 LYS 36 5.665 -4.381 -12.278
273 HZ2 LYS 36 HZ2 LYS 36 7.078 -5.088 -11.651
274 HZ3 LYS 36 HZ3 LYS 36 7.000 -3.408 -11.888
275 H CYS 37 H CYS 37 10.523 -1.021 -6.034
276 HA CYS 37 HA CYS 37 12.430 -2.445 -7.679
277 HB2 CYS 37 HB3 CYS 37 12.676 -0.926 -5.068
278 HB3 CYS 37 HB2 CYS 37 14.029 -1.773 -5.811
279 HG CYS 37 HG CYS 37 14.774 0.310 -7.099
280 H ASP 38 H ASP 38 13.519 -4.309 -7.081
281 HA ASP 38 HA ASP 38 11.952 -6.161 -5.590
282 HB2 ASP 38 HB3 ASP 38 14.644 -6.350 -6.915
283 HB3 ASP 38 HB2 ASP 38 13.970 -7.686 -5.991
284 H ASP 39 H ASP 39 14.125 -3.844 -4.587
285 HA ASP 39 HA ASP 39 14.432 -5.207 -2.030
286 HB2 ASP 39 HB3 ASP 39 16.488 -5.641 -3.338
287 HB3 ASP 39 HB2 ASP 39 16.752 -3.907 -3.459
288 H GLY 40 H GLY 40 12.601 -3.423 -1.938
289 HA2 GLY 40 HA3 GLY 40 12.585 -2.188 0.188
290 HA3 GLY 40 HA2 GLY 40 14.028 -1.368 -0.367
291 H TRP 41 H TRP 41 13.382 -0.449 -2.830
292 HA TRP 41 HA TRP 41 11.690 1.739 -1.942
293 HB2 TRP 41 HB3 TRP 41 13.499 1.435 -4.343
294 HB3 TRP 41 HB2 TRP 41 12.570 2.880 -3.988
295 HD1 TRP 41 HD1 TRP 41 15.280 0.736 -2.248
296 HE1 TRP 41 HE1 TRP 41 16.821 2.323 -0.927
297 HE3 TRP 41 HE3 TRP 41 12.870 5.141 -3.178
298 HZ2 TRP 41 HZ2 TRP 41 16.985 5.087 -0.364
299 HZ3 TRP 41 HZ3 TRP 41 13.786 7.212 -2.218
300 HH2 TRP 41 HH2 TRP 41 15.799 7.184 -0.841
301 H PHE 42 H PHE 42 9.671 2.157 -2.690
302 HA PHE 42 HA PHE 42 9.030 1.117 -5.366
303 HB2 PHE 42 HB3 PHE 42 6.848 1.788 -3.383
304 HB3 PHE 42 HB2 PHE 42 6.785 0.773 -4.805
305 HD1 PHE 42 HD1 PHE 42 8.562 -1.265 -4.657
306 HD2 PHE 42 HD2 PHE 42 6.657 0.664 -1.384
307 HE1 PHE 42 HE1 PHE 42 8.872 -3.290 -3.296
308 HE2 PHE 42 HE2 PHE 42 6.971 -1.354 -0.005
309 HZ PHE 42 HZ PHE 42 8.079 -3.337 -0.962
310 H VAL 43 H VAL 43 7.622 2.558 -6.624
311 HA VAL 43 HA VAL 43 8.237 5.365 -6.079
312 HB VAL 43 HB VAL 43 6.627 4.421 -8.427
313 HG11 VAL 43 HG11 VAL 43 8.492 6.717 -7.927
314 HG12 VAL 43 HG12 VAL 43 6.759 6.757 -8.257
315 HG13 VAL 43 HG13 VAL 43 7.885 6.294 -9.529
316 HG21 VAL 43 HG21 VAL 43 8.820 4.213 -9.661
317 HG22 VAL 43 HG22 VAL 43 8.447 2.917 -8.523
318 HG23 VAL 43 HG23 VAL 43 9.584 4.180 -8.077
319 H GLY 44 H GLY 44 6.383 6.949 -6.319
320 HA2 GLY 44 HA3 GLY 44 3.827 5.841 -5.495
321 HA3 GLY 44 HA2 GLY 44 4.707 6.721 -4.259
322 H THR 45 H THR 45 2.130 7.315 -5.411
323 HA THR 45 HA THR 45 2.770 9.976 -6.495
324 HB THR 45 HB THR 45 -0.011 8.811 -6.392
325 HG1 THR 45 HG1 THR 45 0.904 7.277 -7.627
326 HG21 THR 45 HG21 THR 45 1.215 10.649 -8.435
327 HG22 THR 45 HG22 THR 45 0.518 11.252 -6.930
328 HG23 THR 45 HG23 THR 45 -0.494 10.383 -8.085
329 H SER 46 H SER 46 2.200 11.769 -5.308
330 HA SER 46 HA SER 46 1.714 11.295 -2.517
331 HB2 SER 46 HB3 SER 46 3.291 13.042 -3.309
332 HB3 SER 46 HB2 SER 46 1.920 13.928 -3.956
333 HG SER 46 HG SER 46 2.815 13.734 -1.379
334 H ARG 47 H ARG 47 -0.079 11.336 -1.489
335 HA ARG 47 HA ARG 47 -2.604 11.471 -2.653
336 HB2 ARG 47 HB3 ARG 47 -1.678 11.660 0.193
337 HB3 ARG 47 HB2 ARG 47 -3.381 11.615 -0.226
338 HG2 ARG 47 HG3 ARG 47 -2.689 9.454 0.469
339 HG3 ARG 47 HG2 ARG 47 -2.947 9.395 -1.274
340 HD2 ARG 47 HD3 ARG 47 -0.865 8.263 -0.378
341 HD3 ARG 47 HD2 ARG 47 -0.659 9.376 -1.718
342 HE ARG 47 HE ARG 47 -0.230 10.535 0.914
343 HH11 ARG 47 HH11 ARG 47 1.233 8.910 -1.836
344 HH12 ARG 47 HH12 ARG 47 2.826 9.510 -1.512
345 HH21 ARG 47 HH22 ARG 47 1.890 11.355 1.320
346 HH22 ARG 47 HH21 ARG 47 3.203 10.902 0.272
347 H ARG 48 H ARG 48 -0.604 13.849 -1.214
348 HA ARG 48 HA ARG 48 -2.782 15.746 -0.905
349 HB2 ARG 48 HB3 ARG 48 0.096 15.752 -0.022
350 HB3 ARG 48 HB2 ARG 48 -0.988 17.118 0.222
351 HG2 ARG 48 HG3 ARG 48 -2.441 15.764 1.600
352 HG3 ARG 48 HG2 ARG 48 -1.453 14.346 1.282
353 HD2 ARG 48 HD3 ARG 48 -0.366 16.803 2.555
354 HD3 ARG 48 HD2 ARG 48 -1.079 15.498 3.490
355 HE ARG 48 HE ARG 48 0.681 14.047 2.545
356 HH11 ARG 48 HH11 ARG 48 1.168 17.522 2.546
357 HH12 ARG 48 HH12 ARG 48 2.904 17.406 2.514
358 HH21 ARG 48 HH22 ARG 48 2.960 13.904 2.500
359 HH22 ARG 48 HH21 ARG 48 3.916 15.363 2.495
360 H THR 49 H THR 49 0.549 15.931 -2.225
361 HA THR 49 HA THR 49 -0.245 18.354 -3.610
362 HB THR 49 HB THR 49 1.853 18.336 -2.344
363 HG1 THR 49 HG1 THR 49 1.799 18.863 -5.101
364 HG21 THR 49 HG21 THR 49 2.841 16.374 -4.410
365 HG22 THR 49 HG22 THR 49 2.457 15.986 -2.734
366 HG23 THR 49 HG23 THR 49 3.785 17.088 -3.101
367 H LYS 50 H LYS 50 -0.454 15.195 -4.368
368 HA LYS 50 HA LYS 50 -0.763 14.002 -6.267
369 HB2 LYS 50 HB3 LYS 50 -1.186 16.728 -7.501
370 HB3 LYS 50 HB2 LYS 50 -1.700 15.195 -8.190
371 HG2 LYS 50 HG3 LYS 50 -2.697 16.396 -5.614
372 HG3 LYS 50 HG2 LYS 50 -3.561 16.360 -7.148
373 HD2 LYS 50 HD3 LYS 50 -3.554 13.908 -7.072
374 HD3 LYS 50 HD2 LYS 50 -2.715 13.962 -5.523
375 HE2 LYS 50 HE3 LYS 50 -4.607 15.153 -4.535
376 HE3 LYS 50 HE2 LYS 50 -5.440 15.131 -6.088
377 HZ1 LYS 50 HZ1 LYS 50 -5.483 12.714 -5.984
378 HZ2 LYS 50 HZ2 LYS 50 -6.253 13.393 -4.638
379 HZ3 LYS 50 HZ3 LYS 50 -4.698 12.739 -4.483
380 H GLN 51 H GLN 51 1.927 14.744 -5.653
381 HA GLN 51 HA GLN 51 3.172 15.028 -8.269
382 HB2 GLN 51 HB3 GLN 51 4.251 15.219 -5.466
383 HB3 GLN 51 HB2 GLN 51 5.310 15.106 -6.867
384 HG2 GLN 51 HG3 GLN 51 3.263 17.248 -6.371
385 HG3 GLN 51 HG2 GLN 51 5.008 17.411 -6.161
386 HE21 GLN 51 HE22 GLN 51 6.342 17.417 -8.002
387 HE22 GLN 51 HE21 GLN 51 5.701 17.761 -9.581
388 H PHE 52 H PHE 52 5.142 13.626 -8.609
389 HA PHE 52 HA PHE 52 4.409 10.867 -7.885
390 HB2 PHE 52 HB3 PHE 52 5.744 11.775 -10.449
391 HB3 PHE 52 HB2 PHE 52 5.156 10.160 -10.082
392 HD1 PHE 52 HD1 PHE 52 2.787 9.673 -10.104
393 HD2 PHE 52 HD2 PHE 52 4.250 13.530 -11.118
394 HE1 PHE 52 HE1 PHE 52 0.611 10.225 -11.113
395 HE2 PHE 52 HE2 PHE 52 2.081 14.095 -12.129
396 HZ PHE 52 HZ PHE 52 0.256 12.442 -12.127
397 H GLY 53 H GLY 53 5.820 10.273 -6.366
398 HA2 GLY 53 HA3 GLY 53 8.696 10.690 -6.897
399 HA3 GLY 53 HA2 GLY 53 8.002 11.144 -5.346
400 H THR 54 H THR 54 10.100 9.181 -5.923
401 HA THR 54 HA THR 54 8.769 6.689 -5.110
402 HB THR 54 HB THR 54 10.339 6.586 -7.031
403 HG1 THR 54 HG1 THR 54 10.126 4.920 -5.089
404 HG21 THR 54 HG21 THR 54 12.669 6.862 -5.178
405 HG22 THR 54 HG22 THR 54 11.926 8.341 -5.794
406 HG23 THR 54 HG23 THR 54 12.573 7.142 -6.916
407 H PHE 55 H PHE 55 9.360 5.611 -3.184
408 HA PHE 55 HA PHE 55 11.462 6.624 -1.524
409 HB2 PHE 55 HB3 PHE 55 9.997 7.115 0.444
410 HB3 PHE 55 HB2 PHE 55 9.858 8.272 -0.867
411 HD1 PHE 55 HD1 PHE 55 7.814 8.289 -2.290
412 HD2 PHE 55 HD2 PHE 55 8.163 5.823 1.166
413 HE1 PHE 55 HE1 PHE 55 5.376 8.016 -2.239
414 HE2 PHE 55 HE2 PHE 55 5.721 5.545 1.216
415 HZ PHE 55 HZ PHE 55 4.325 6.644 -0.489
416 HA PRO 56 HA PRO 56 11.684 2.522 -0.090
417 HB2 PRO 56 HB2 PRO 56 11.874 3.406 2.712
418 HB3 PRO 56 HB3 PRO 56 13.061 2.557 1.721
419 HG2 PRO 56 HG3 PRO 56 13.348 5.149 2.415
420 HG3 PRO 56 HG2 PRO 56 13.946 4.501 0.879
421 HD2 PRO 56 HD3 PRO 56 11.531 6.164 1.428
422 HD3 PRO 56 HD2 PRO 56 12.612 6.163 0.021
423 H GLY 57 H GLY 57 10.226 0.975 0.300
424 HA2 GLY 57 HA3 GLY 57 7.742 1.693 1.672
425 HA3 GLY 57 HA2 GLY 57 8.022 0.247 0.712
426 H ASN 58 H ASN 58 10.536 0.881 2.873
427 HA ASN 58 HA ASN 58 9.523 -1.188 4.705
428 HB2 ASN 58 HB3 ASN 58 12.345 -0.280 4.100
429 HB3 ASN 58 HB2 ASN 58 11.938 -1.418 5.380
430 HD21 ASN 58 HD22 ASN 58 9.829 -2.708 3.842
431 HD22 ASN 58 HD21 ASN 58 10.631 -3.671 2.652
432 H TYR 59 H TYR 59 9.184 1.862 4.591
433 HA TYR 59 HA TYR 59 10.098 2.464 7.323
434 HB2 TYR 59 HB3 TYR 59 11.223 3.949 5.900
435 HB3 TYR 59 HB2 TYR 59 9.862 4.092 4.803
436 HD1 TYR 59 HD1 TYR 59 8.042 5.588 5.286
437 HD2 TYR 59 HD2 TYR 59 11.414 5.352 7.858
438 HE1 TYR 59 HE1 TYR 59 7.388 7.729 6.328
439 HE2 TYR 59 HE2 TYR 59 10.774 7.479 8.913
440 HH TYR 59 HH TYR 59 9.391 9.559 8.191
441 H VAL 60 H VAL 60 7.562 1.523 5.584
442 HA VAL 60 HA VAL 60 5.592 3.196 6.987
443 HB VAL 60 HB VAL 60 5.834 3.660 4.543
444 HG11 VAL 60 HG11 VAL 60 4.744 1.945 3.020
445 HG12 VAL 60 HG12 VAL 60 5.027 0.796 4.332
446 HG13 VAL 60 HG13 VAL 60 6.386 1.624 3.577
447 HG21 VAL 60 HG21 VAL 60 3.386 3.422 4.015
448 HG22 VAL 60 HG22 VAL 60 3.802 4.301 5.489
449 HG23 VAL 60 HG23 VAL 60 3.238 2.638 5.586
450 H LYS 61 H LYS 61 3.541 2.108 7.441
451 HA LYS 61 HA LYS 61 3.810 -0.809 7.639
452 HB2 LYS 61 HB3 LYS 61 2.494 1.142 9.532
453 HB3 LYS 61 HB2 LYS 61 2.285 -0.602 9.629
454 HG2 LYS 61 HG3 LYS 61 4.816 -0.718 9.790
455 HG3 LYS 61 HG2 LYS 61 4.758 1.013 10.101
456 HD2 LYS 61 HD3 LYS 61 4.771 -0.209 12.206
457 HD3 LYS 61 HD2 LYS 61 3.235 0.621 11.975
458 HE2 LYS 61 HE3 LYS 61 2.610 -1.479 12.752
459 HE3 LYS 61 HE2 LYS 61 2.396 -1.587 11.005
460 HZ1 LYS 61 HZ1 LYS 61 4.725 -2.572 10.989
461 HZ2 LYS 61 HZ2 LYS 61 3.486 -3.543 11.622
462 HZ3 LYS 61 HZ3 LYS 61 4.546 -2.745 12.668
463 HA PRO 62 HA PRO 62 0.089 -1.517 5.366
464 HB2 PRO 62 HB2 PRO 62 -1.244 -3.146 7.196
465 HB3 PRO 62 HB3 PRO 62 -0.077 -3.700 5.990
466 HG2 PRO 62 HG3 PRO 62 0.346 -3.050 8.882
467 HG3 PRO 62 HG2 PRO 62 1.002 -4.393 7.934
468 HD2 PRO 62 HD3 PRO 62 2.526 -2.317 8.495
469 HD3 PRO 62 HD2 PRO 62 2.566 -3.021 6.860
470 H LEU 63 H LEU 63 -1.892 -0.634 5.155
471 HA LEU 63 HA LEU 63 -2.734 1.498 6.654
472 HB2 LEU 63 HB3 LEU 63 -4.322 -0.378 4.913
473 HB3 LEU 63 HB2 LEU 63 -4.983 1.099 5.594
474 HG LEU 63 HG LEU 63 -2.637 0.937 3.696
475 HD11 LEU 63 HD11 LEU 63 -4.759 0.416 2.606
476 HD12 LEU 63 HD12 LEU 63 -4.167 1.999 2.101
477 HD13 LEU 63 HD13 LEU 63 -5.474 1.880 3.278
478 HD21 LEU 63 HD21 LEU 63 -4.073 3.300 4.887
479 HD22 LEU 63 HD22 LEU 63 -2.838 3.376 3.629
480 HD23 LEU 63 HD23 LEU 63 -2.425 2.778 5.237
481 H TYR 64 H TYR 64 -3.750 1.795 8.488
482 HA TYR 64 HA TYR 64 -4.385 -0.548 10.087
483 HB2 TYR 64 HB3 TYR 64 -3.273 2.012 10.586
484 HB3 TYR 64 HB2 TYR 64 -4.733 1.866 11.547
485 HD1 TYR 64 HD1 TYR 64 -1.626 -0.023 10.712
486 HD2 TYR 64 HD2 TYR 64 -4.594 0.856 13.627
487 HE1 TYR 64 HE1 TYR 64 -0.364 -1.318 12.380
488 HE2 TYR 64 HE2 TYR 64 -3.343 -0.437 15.300
489 HH TYR 64 HH TYR 64 -0.132 -1.455 14.802
Start of MODEL 8
1 H1 GLN 1 H1 GLN 1 -2.806 -8.051 -8.210
2 H2 GLN 1 H2 GLN 1 -1.245 -7.997 -7.561
3 H3 GLN 1 H3 GLN 1 -2.535 -8.586 -6.624
4 HA GLN 1 HA GLN 1 -1.491 -9.803 -9.109
5 HB2 GLN 1 HB3 GLN 1 -0.718 -11.641 -7.605
6 HB3 GLN 1 HB2 GLN 1 0.138 -10.125 -7.395
7 HG2 GLN 1 HG3 GLN 1 -1.104 -9.659 -5.378
8 HG3 GLN 1 HG2 GLN 1 -2.080 -11.109 -5.613
9 HE21 GLN 1 HE22 GLN 1 -1.445 -11.982 -3.639
10 HE22 GLN 1 HE21 GLN 1 0.148 -12.637 -3.406
11 H THR 2 H THR 2 -3.583 -10.319 -6.248
12 HA THR 2 HA THR 2 -5.098 -12.302 -7.744
13 HB THR 2 HB THR 2 -6.448 -12.323 -5.527
14 HG1 THR 2 HG1 THR 2 -5.793 -10.716 -4.282
15 HG21 THR 2 HG21 THR 2 -3.562 -13.213 -5.576
16 HG22 THR 2 HG22 THR 2 -4.936 -14.113 -6.218
17 HG23 THR 2 HG23 THR 2 -4.808 -13.818 -4.484
18 H SER 3 H SER 3 -5.146 -9.726 -8.779
19 HA SER 3 HA SER 3 -6.496 -8.118 -9.587
20 HB2 SER 3 HB3 SER 3 -8.003 -10.084 -10.007
21 HB3 SER 3 HB2 SER 3 -8.800 -9.734 -8.475
22 HG SER 3 HG SER 3 -9.142 -8.571 -10.895
23 H GLN 4 H GLN 4 -8.541 -6.712 -8.814
24 HA GLN 4 HA GLN 4 -9.075 -4.933 -7.538
25 HB2 GLN 4 HB3 GLN 4 -9.922 -6.986 -6.180
26 HB3 GLN 4 HB2 GLN 4 -8.618 -6.571 -5.073
27 HG2 GLN 4 HG3 GLN 4 -10.418 -4.407 -5.954
28 HG3 GLN 4 HG2 GLN 4 -11.066 -5.591 -4.811
29 HE21 GLN 4 HE22 GLN 4 -10.050 -5.777 -2.757
30 HE22 GLN 4 HE21 GLN 4 -9.120 -4.464 -2.098
31 H ASP 5 H ASP 5 -6.963 -4.247 -8.344
32 HA ASP 5 HA ASP 5 -4.935 -3.247 -8.167
33 HB2 ASP 5 HB3 ASP 5 -6.608 -2.246 -5.930
34 HB3 ASP 5 HB2 ASP 5 -4.929 -1.726 -6.006
35 H LEU 6 H LEU 6 -3.459 -2.404 -6.017
36 HA LEU 6 HA LEU 6 -2.409 -4.904 -4.922
37 HB2 LEU 6 HB3 LEU 6 -1.222 -2.194 -5.408
38 HB3 LEU 6 HB2 LEU 6 -0.434 -3.361 -4.375
39 HG LEU 6 HG LEU 6 -1.109 -3.764 -7.270
40 HD11 LEU 6 HD11 LEU 6 1.611 -3.566 -6.011
41 HD12 LEU 6 HD12 LEU 6 0.751 -2.160 -6.628
42 HD13 LEU 6 HD13 LEU 6 1.185 -3.476 -7.724
43 HD21 LEU 6 HD21 LEU 6 0.408 -5.790 -6.913
44 HD22 LEU 6 HD22 LEU 6 -1.238 -5.883 -6.280
45 HD23 LEU 6 HD23 LEU 6 0.105 -5.549 -5.192
46 H PHE 7 H PHE 7 -0.960 -3.429 -2.807
47 HA PHE 7 HA PHE 7 -3.214 -2.999 -0.979
48 HB2 PHE 7 HB3 PHE 7 -0.298 -3.387 -0.294
49 HB3 PHE 7 HB2 PHE 7 -1.643 -3.389 0.827
50 HD1 PHE 7 HD2 PHE 7 -3.524 -5.203 0.214
51 HD2 PHE 7 HD1 PHE 7 0.577 -5.386 -0.876
52 HE1 PHE 7 HE2 PHE 7 -3.706 -7.645 -0.024
53 HE2 PHE 7 HE1 PHE 7 0.411 -7.832 -1.119
54 HZ PHE 7 HZ PHE 7 -1.733 -8.964 -0.692
55 H SER 8 H SER 8 -2.968 -1.259 0.617
56 HA SER 8 HA SER 8 -1.291 0.965 -0.342
57 HB2 SER 8 HB3 SER 8 -3.923 1.343 1.061
58 HB3 SER 8 HB2 SER 8 -2.958 2.553 0.236
59 HG SER 8 HG SER 8 -3.937 0.334 -1.200
60 H TYR 9 H TYR 9 -0.283 2.176 1.257
61 HA TYR 9 HA TYR 9 -0.452 1.052 3.970
62 HB2 TYR 9 HB3 TYR 9 2.103 1.940 2.597
63 HB3 TYR 9 HB2 TYR 9 1.959 1.322 4.225
64 HD1 TYR 9 HD2 TYR 9 1.433 0.320 0.661
65 HD2 TYR 9 HD1 TYR 9 2.231 -0.891 4.643
66 HE1 TYR 9 HE2 TYR 9 1.859 -1.969 -0.135
67 HE2 TYR 9 HE1 TYR 9 2.659 -3.196 3.875
68 HH TYR 9 HH TYR 9 3.257 -4.000 0.743
69 H GLN 10 H GLN 10 0.005 2.504 5.667
70 HA GLN 10 HA GLN 10 -0.207 5.360 4.934
71 HB2 GLN 10 HB3 GLN 10 -2.045 4.322 6.377
72 HB3 GLN 10 HB2 GLN 10 -0.831 4.128 7.633
73 HG2 GLN 10 HG3 GLN 10 -0.443 6.639 7.423
74 HG3 GLN 10 HG2 GLN 10 -1.934 6.668 6.484
75 HE21 GLN 10 HE22 GLN 10 -0.525 6.219 9.608
76 HE22 GLN 10 HE21 GLN 10 -1.995 6.279 10.517
77 H ALA 11 H ALA 11 1.430 6.678 5.538
78 HA ALA 11 HA ALA 11 3.843 5.390 6.420
79 HB1 ALA 11 HB1 ALA 11 4.965 7.230 5.648
80 HB2 ALA 11 HB2 ALA 11 3.662 8.331 6.071
81 HB3 ALA 11 HB3 ALA 11 3.506 7.290 4.656
82 H LEU 12 H LEU 12 4.894 5.594 8.269
83 HA LEU 12 HA LEU 12 3.368 6.020 10.597
84 HB2 LEU 12 HB3 LEU 12 6.352 5.721 10.309
85 HB3 LEU 12 HB2 LEU 12 5.414 5.438 11.765
86 HG LEU 12 HG LEU 12 4.923 3.866 9.255
87 HD11 LEU 12 HD11 LEU 12 6.878 3.245 11.462
88 HD12 LEU 12 HD12 LEU 12 7.257 3.590 9.771
89 HD13 LEU 12 HD13 LEU 12 6.374 2.124 10.193
90 HD21 LEU 12 HD21 LEU 12 4.380 3.362 12.173
91 HD22 LEU 12 HD22 LEU 12 4.045 2.228 10.861
92 HD23 LEU 12 HD23 LEU 12 3.195 3.770 10.932
93 H TYR 13 H TYR 13 5.847 7.948 8.987
94 HA TYR 13 HA TYR 13 5.082 10.241 10.556
95 HB2 TYR 13 HB3 TYR 13 7.468 10.778 11.150
96 HB3 TYR 13 HB2 TYR 13 6.753 9.450 12.044
97 HD1 TYR 13 HD1 TYR 13 7.423 7.100 11.481
98 HD2 TYR 13 HD2 TYR 13 9.415 10.483 9.842
99 HE1 TYR 13 HE1 TYR 13 9.354 5.684 10.926
100 HE2 TYR 13 HE2 TYR 13 11.349 9.074 9.275
101 HH TYR 13 HH TYR 13 12.361 6.939 10.031
102 H SER 14 H SER 14 6.436 12.188 9.838
103 HA SER 14 HA SER 14 6.147 12.266 6.971
104 HB2 SER 14 HB3 SER 14 6.522 14.720 7.300
105 HB3 SER 14 HB2 SER 14 5.185 14.064 8.235
106 HG SER 14 HG SER 14 7.760 14.827 9.127
107 H TYR 15 H TYR 15 7.706 12.936 5.500
108 HA TYR 15 HA TYR 15 10.505 12.797 6.358
109 HB2 TYR 15 HB3 TYR 15 9.982 10.538 5.714
110 HB3 TYR 15 HB2 TYR 15 9.170 11.078 4.259
111 HD1 TYR 15 HD2 TYR 15 12.443 10.522 5.844
112 HD2 TYR 15 HD1 TYR 15 10.403 11.606 2.282
113 HE1 TYR 15 HE2 TYR 15 14.512 10.181 4.563
114 HE2 TYR 15 HE1 TYR 15 12.462 11.254 0.978
115 HH TYR 15 HH TYR 15 14.764 11.059 1.183
116 H ILE 16 H ILE 16 11.877 14.017 5.122
117 HA ILE 16 HA ILE 16 10.624 15.671 3.037
118 HB ILE 16 HB ILE 16 13.074 16.272 4.705
119 HG12 ILE 16 HG13 ILE 16 11.002 16.342 6.022
120 HG13 ILE 16 HG12 ILE 16 11.676 17.945 5.795
121 HG21 ILE 16 HG21 ILE 16 11.574 18.159 2.914
122 HG22 ILE 16 HG22 ILE 16 12.951 17.214 2.361
123 HG23 ILE 16 HG23 ILE 16 13.157 18.389 3.661
124 HD11 ILE 16 HD11 ILE 16 10.004 18.617 4.401
125 HD12 ILE 16 HD12 ILE 16 9.138 17.555 5.512
126 HD13 ILE 16 HD13 ILE 16 9.627 16.969 3.922
127 HA PRO 17 HA PRO 17 12.932 13.356 0.076
128 HB2 PRO 17 HB2 PRO 17 12.875 15.896 -1.458
129 HB3 PRO 17 HB3 PRO 17 12.333 14.281 -1.929
130 HG2 PRO 17 HG3 PRO 17 10.592 16.211 -1.296
131 HG3 PRO 17 HG2 PRO 17 10.294 14.515 -0.878
132 HD2 PRO 17 HD3 PRO 17 11.140 16.775 0.866
133 HD3 PRO 17 HD2 PRO 17 10.122 15.378 1.241
134 H GLN 18 H GLN 18 15.018 12.967 -0.112
135 HA GLN 18 HA GLN 18 16.954 15.121 0.377
136 HB2 GLN 18 HB3 GLN 18 17.463 12.159 0.081
137 HB3 GLN 18 HB2 GLN 18 18.582 13.364 0.705
138 HG2 GLN 18 HG3 GLN 18 16.917 13.751 2.561
139 HG3 GLN 18 HG2 GLN 18 16.083 12.308 1.991
140 HE21 GLN 18 HE22 GLN 18 18.877 13.571 3.573
141 HE22 GLN 18 HE21 GLN 18 19.496 12.054 4.150
142 H ASN 19 H ASN 19 15.815 12.814 -1.945
143 HA ASN 19 HA ASN 19 17.444 14.120 -4.038
144 HB2 ASN 19 HB3 ASN 19 16.205 11.354 -3.979
145 HB3 ASN 19 HB2 ASN 19 16.938 12.071 -5.409
146 HD21 ASN 19 HD22 ASN 19 17.501 10.598 -2.322
147 HD22 ASN 19 HD21 ASN 19 19.219 10.442 -2.492
148 H ASP 20 H ASP 20 16.340 14.501 -6.079
149 HA ASP 20 HA ASP 20 13.769 15.657 -5.646
150 HB2 ASP 20 HB3 ASP 20 15.424 16.646 -7.192
151 HB3 ASP 20 HB2 ASP 20 15.261 15.244 -8.248
152 H ASP 21 H ASP 21 14.890 12.628 -6.755
153 HA ASP 21 HA ASP 21 12.523 11.769 -8.088
154 HB2 ASP 21 HB3 ASP 21 14.826 10.260 -6.850
155 HB3 ASP 21 HB2 ASP 21 13.468 9.443 -7.614
156 H GLU 22 H GLU 22 13.351 12.203 -4.803
157 HA GLU 22 HA GLU 22 11.552 10.174 -3.803
158 HB2 GLU 22 HB3 GLU 22 13.128 12.286 -2.322
159 HB3 GLU 22 HB2 GLU 22 12.288 10.923 -1.590
160 HG2 GLU 22 HG3 GLU 22 13.782 9.373 -2.721
161 HG3 GLU 22 HG2 GLU 22 14.593 10.721 -3.516
162 H LEU 23 H LEU 23 9.858 10.628 -2.357
163 HA LEU 23 HA LEU 23 8.227 12.855 -3.312
164 HB2 LEU 23 HB3 LEU 23 7.468 10.456 -3.330
165 HB3 LEU 23 HB2 LEU 23 7.470 10.510 -1.580
166 HG LEU 23 HG LEU 23 5.679 12.105 -1.556
167 HD11 LEU 23 HD11 LEU 23 4.668 12.984 -3.587
168 HD12 LEU 23 HD12 LEU 23 5.843 12.111 -4.567
169 HD13 LEU 23 HD13 LEU 23 6.374 13.429 -3.522
170 HD21 LEU 23 HD21 LEU 23 3.978 10.790 -2.891
171 HD22 LEU 23 HD22 LEU 23 4.934 9.886 -1.709
172 HD23 LEU 23 HD23 LEU 23 5.347 9.808 -3.422
173 H GLU 24 H GLU 24 7.385 14.428 -1.931
174 HA GLU 24 HA GLU 24 8.582 14.674 0.674
175 HB2 GLU 24 HB3 GLU 24 7.729 16.570 -0.941
176 HB3 GLU 24 HB2 GLU 24 6.183 16.265 -0.155
177 HG2 GLU 24 HG3 GLU 24 7.520 16.520 2.043
178 HG3 GLU 24 HG2 GLU 24 8.726 17.292 1.022
179 H LEU 25 H LEU 25 7.877 13.672 2.407
180 HA LEU 25 HA LEU 25 5.286 12.299 2.238
181 HB2 LEU 25 HB3 LEU 25 7.610 11.127 2.358
182 HB3 LEU 25 HB2 LEU 25 7.545 11.553 4.053
183 HG LEU 25 HG LEU 25 6.852 9.238 3.633
184 HD11 LEU 25 HD11 LEU 25 4.436 10.765 4.509
185 HD12 LEU 25 HD12 LEU 25 5.913 10.744 5.464
186 HD13 LEU 25 HD13 LEU 25 5.069 9.233 5.118
187 HD21 LEU 25 HD21 LEU 25 4.624 8.867 2.567
188 HD22 LEU 25 HD22 LEU 25 5.892 9.395 1.457
189 HD23 LEU 25 HD23 LEU 25 4.679 10.543 2.016
190 H ARG 26 H ARG 26 3.739 12.806 3.683
191 HA ARG 26 HA ARG 26 4.594 14.161 6.157
192 HB2 ARG 26 HB3 ARG 26 1.955 14.370 4.708
193 HB3 ARG 26 HB2 ARG 26 2.299 15.094 6.270
194 HG2 ARG 26 HG3 ARG 26 3.640 15.744 3.660
195 HG3 ARG 26 HG2 ARG 26 2.484 16.743 4.535
196 HD2 ARG 26 HD3 ARG 26 4.007 17.045 6.336
197 HD3 ARG 26 HD2 ARG 26 5.134 15.878 5.653
198 HE ARG 26 HE ARG 26 5.106 17.626 3.693
199 HH11 ARG 26 HH11 ARG 26 5.095 18.262 7.131
200 HH12 ARG 26 HH12 ARG 26 5.988 19.742 6.994
201 HH21 ARG 26 HH22 ARG 26 6.269 19.560 3.491
202 HH22 ARG 26 HH21 ARG 26 6.650 20.496 4.915
203 H ASP 27 H ASP 27 3.670 13.470 8.103
204 HA ASP 27 HA ASP 27 3.431 10.709 8.319
205 HB2 ASP 27 HB3 ASP 27 2.606 11.106 10.628
206 HB3 ASP 27 HB2 ASP 27 4.085 11.961 10.238
207 H GLY 28 H GLY 28 1.880 9.330 8.076
208 HA2 GLY 28 HA3 GLY 28 -0.263 8.461 7.936
209 HA3 GLY 28 HA2 GLY 28 -0.919 10.059 8.233
210 H ASP 29 H ASP 29 1.434 9.524 5.736
211 HA ASP 29 HA ASP 29 -0.503 10.147 3.662
212 HB2 ASP 29 HB3 ASP 29 2.310 10.387 3.924
213 HB3 ASP 29 HB2 ASP 29 2.020 9.286 2.593
214 H ILE 30 H ILE 30 -1.070 8.735 1.983
215 HA ILE 30 HA ILE 30 -0.586 5.901 2.591
216 HB ILE 30 HB ILE 30 -2.786 7.132 0.903
217 HG12 ILE 30 HG13 ILE 30 -4.247 6.090 2.681
218 HG13 ILE 30 HG12 ILE 30 -2.797 5.812 3.623
219 HG21 ILE 30 HG21 ILE 30 -2.360 4.242 1.652
220 HG22 ILE 30 HG22 ILE 30 -2.031 4.927 0.066
221 HG23 ILE 30 HG23 ILE 30 -3.680 4.895 0.684
222 HD11 ILE 30 HD11 ILE 30 -4.090 7.800 4.307
223 HD12 ILE 30 HD12 ILE 30 -3.742 8.520 2.733
224 HD13 ILE 30 HD13 ILE 30 -2.423 8.150 3.847
225 H VAL 31 H VAL 31 0.347 4.578 1.055
226 HA VAL 31 HA VAL 31 1.541 6.061 -1.187
227 HB VAL 31 HB VAL 31 3.235 5.357 0.349
228 HG11 VAL 31 HG11 VAL 31 2.172 2.557 0.020
229 HG12 VAL 31 HG12 VAL 31 2.052 3.552 1.471
230 HG13 VAL 31 HG13 VAL 31 3.630 3.005 0.903
231 HG21 VAL 31 HG21 VAL 31 4.641 3.956 -1.094
232 HG22 VAL 31 HG22 VAL 31 3.834 5.237 -1.997
233 HG23 VAL 31 HG23 VAL 31 3.231 3.583 -2.085
234 H ASP 32 H ASP 32 1.378 5.409 -3.164
235 HA ASP 32 HA ASP 32 0.332 2.736 -3.791
236 HB2 ASP 32 HB3 ASP 32 -1.463 3.741 -4.723
237 HB3 ASP 32 HB2 ASP 32 -0.769 5.334 -4.475
238 H VAL 33 H VAL 33 1.781 1.598 -4.911
239 HA VAL 33 HA VAL 33 4.201 2.923 -5.669
240 HB VAL 33 HB VAL 33 4.882 1.037 -4.724
241 HG11 VAL 33 HG11 VAL 33 2.322 -0.181 -5.628
242 HG12 VAL 33 HG12 VAL 33 2.951 0.103 -4.000
243 HG13 VAL 33 HG13 VAL 33 3.642 -1.175 -4.998
244 HG21 VAL 33 HG21 VAL 33 4.434 0.137 -7.554
245 HG22 VAL 33 HG22 VAL 33 5.379 -0.776 -6.372
246 HG23 VAL 33 HG23 VAL 33 5.888 0.845 -6.846
247 H MET 34 H MET 34 4.696 3.695 -7.461
248 HA MET 34 HA MET 34 3.219 3.149 -9.880
249 HB2 MET 34 HB3 MET 34 5.484 5.015 -9.178
250 HB3 MET 34 HB2 MET 34 4.952 4.793 -10.843
251 HG2 MET 34 HG3 MET 34 3.264 5.775 -8.554
252 HG3 MET 34 HG2 MET 34 3.942 6.759 -9.850
253 HE1 MET 34 HE1 MET 34 0.073 6.698 -10.623
254 HE2 MET 34 HE2 MET 34 1.468 7.729 -10.306
255 HE3 MET 34 HE3 MET 34 0.828 6.696 -9.028
256 H GLU 35 H GLU 35 6.450 2.577 -8.586
257 HA GLU 35 HA GLU 35 6.795 0.398 -10.485
258 HB2 GLU 35 HB3 GLU 35 7.755 2.513 -11.520
259 HB3 GLU 35 HB2 GLU 35 8.942 2.504 -10.221
260 HG2 GLU 35 HG3 GLU 35 9.745 0.334 -10.945
261 HG3 GLU 35 HG2 GLU 35 8.533 0.294 -12.222
262 H LYS 36 H LYS 36 8.090 -1.212 -9.717
263 HA LYS 36 HA LYS 36 8.724 -0.991 -6.861
264 HB2 LYS 36 HB3 LYS 36 8.567 -3.493 -8.536
265 HB3 LYS 36 HB2 LYS 36 8.607 -3.386 -6.788
266 HG2 LYS 36 HG3 LYS 36 6.407 -2.505 -6.704
267 HG3 LYS 36 HG2 LYS 36 6.367 -2.272 -8.456
268 HD2 LYS 36 HD3 LYS 36 6.654 -4.944 -7.097
269 HD3 LYS 36 HD2 LYS 36 5.122 -4.284 -7.676
270 HE2 LYS 36 HE3 LYS 36 5.993 -4.225 -9.947
271 HE3 LYS 36 HE2 LYS 36 7.555 -4.812 -9.380
272 HZ1 LYS 36 HZ1 LYS 36 6.363 -6.640 -10.280
273 HZ2 LYS 36 HZ2 LYS 36 4.975 -6.278 -9.371
274 HZ3 LYS 36 HZ3 LYS 36 6.382 -6.836 -8.597
275 H CYS 37 H CYS 37 10.774 -0.838 -6.234
276 HA CYS 37 HA CYS 37 12.924 -1.736 -7.996
277 HB2 CYS 37 HB3 CYS 37 13.102 -0.477 -5.242
278 HB3 CYS 37 HB2 CYS 37 14.420 -0.689 -6.391
279 HG CYS 37 HG CYS 37 12.757 1.011 -8.266
280 H ASP 38 H ASP 38 14.078 -3.554 -7.621
281 HA ASP 38 HA ASP 38 12.766 -5.648 -6.276
282 HB2 ASP 38 HB3 ASP 38 14.299 -5.843 -8.264
283 HB3 ASP 38 HB2 ASP 38 15.648 -5.640 -7.156
284 H ASP 39 H ASP 39 14.960 -3.329 -5.101
285 HA ASP 39 HA ASP 39 16.117 -4.840 -2.977
286 HB2 ASP 39 HB3 ASP 39 17.085 -2.740 -3.958
287 HB3 ASP 39 HB2 ASP 39 15.810 -1.840 -3.146
288 H GLY 40 H GLY 40 13.078 -3.276 -3.411
289 HA2 GLY 40 HA3 GLY 40 11.361 -3.921 -1.751
290 HA3 GLY 40 HA2 GLY 40 12.545 -3.532 -0.511
291 H TRP 41 H TRP 41 12.786 -1.374 -3.036
292 HA TRP 41 HA TRP 41 11.255 0.643 -1.553
293 HB2 TRP 41 HB3 TRP 41 13.372 0.965 -3.704
294 HB3 TRP 41 HB2 TRP 41 12.560 2.283 -2.879
295 HD1 TRP 41 HD1 TRP 41 14.132 -0.830 -1.219
296 HE1 TRP 41 HE1 TRP 41 15.943 -0.041 0.426
297 HE3 TRP 41 HE3 TRP 41 14.003 4.178 -2.232
298 HZ2 TRP 41 HZ2 TRP 41 17.155 2.387 1.188
299 HZ3 TRP 41 HZ3 TRP 41 15.529 5.666 -1.002
300 HH2 TRP 41 HH2 TRP 41 17.071 4.785 0.671
301 H PHE 42 H PHE 42 9.524 1.694 -2.559
302 HA PHE 42 HA PHE 42 9.089 0.993 -5.380
303 HB2 PHE 42 HB3 PHE 42 6.743 1.562 -3.570
304 HB3 PHE 42 HB2 PHE 42 6.811 0.654 -5.065
305 HD1 PHE 42 HD1 PHE 42 8.424 -1.475 -4.926
306 HD2 PHE 42 HD2 PHE 42 6.415 0.338 -1.648
307 HE1 PHE 42 HE1 PHE 42 8.548 -3.598 -3.689
308 HE2 PHE 42 HE2 PHE 42 6.538 -1.779 -0.397
309 HZ PHE 42 HZ PHE 42 7.608 -3.749 -1.416
310 H VAL 43 H VAL 43 7.779 2.599 -6.560
311 HA VAL 43 HA VAL 43 8.337 5.324 -5.668
312 HB VAL 43 HB VAL 43 6.731 4.642 -8.100
313 HG11 VAL 43 HG11 VAL 43 8.512 6.918 -7.329
314 HG12 VAL 43 HG12 VAL 43 6.785 6.931 -7.696
315 HG13 VAL 43 HG13 VAL 43 7.956 6.664 -8.985
316 HG21 VAL 43 HG21 VAL 43 8.946 4.665 -9.366
317 HG22 VAL 43 HG22 VAL 43 8.541 3.206 -8.463
318 HG23 VAL 43 HG23 VAL 43 9.691 4.356 -7.801
319 H GLY 44 H GLY 44 6.531 6.856 -5.517
320 HA2 GLY 44 HA3 GLY 44 3.983 5.574 -4.887
321 HA3 GLY 44 HA2 GLY 44 4.849 6.332 -3.561
322 H THR 45 H THR 45 2.254 6.964 -4.637
323 HA THR 45 HA THR 45 2.783 9.728 -5.492
324 HB THR 45 HB THR 45 0.084 8.404 -5.696
325 HG1 THR 45 HG1 THR 45 0.949 7.034 -7.071
326 HG21 THR 45 HG21 THR 45 1.411 10.431 -7.485
327 HG22 THR 45 HG22 THR 45 0.462 10.871 -6.067
328 HG23 THR 45 HG23 THR 45 -0.300 10.011 -7.404
329 H SER 46 H SER 46 2.264 11.312 -4.069
330 HA SER 46 HA SER 46 1.234 10.556 -1.487
331 HB2 SER 46 HB3 SER 46 3.010 12.218 -1.605
332 HB3 SER 46 HB2 SER 46 2.000 13.268 -2.598
333 HG SER 46 HG SER 46 1.451 12.464 0.086
334 H ARG 47 H ARG 47 -0.734 10.808 -0.689
335 HA ARG 47 HA ARG 47 -2.950 11.344 -2.341
336 HB2 ARG 47 HB3 ARG 47 -2.480 10.758 0.528
337 HB3 ARG 47 HB2 ARG 47 -4.032 11.456 0.094
338 HG2 ARG 47 HG3 ARG 47 -4.097 9.020 0.199
339 HG3 ARG 47 HG2 ARG 47 -4.470 9.637 -1.407
340 HD2 ARG 47 HD3 ARG 47 -2.064 9.191 -2.007
341 HD3 ARG 47 HD2 ARG 47 -1.935 8.329 -0.474
342 HE ARG 47 HE ARG 47 -4.016 7.080 -1.479
343 HH11 ARG 47 HH11 ARG 47 -1.025 7.984 -3.080
344 HH12 ARG 47 HH12 ARG 47 -1.173 6.764 -4.306
345 HH21 ARG 47 HH22 ARG 47 -4.211 5.481 -3.085
346 HH22 ARG 47 HH21 ARG 47 -2.982 5.335 -4.305
347 H ARG 48 H ARG 48 -0.862 13.416 -0.748
348 HA ARG 48 HA ARG 48 -2.782 15.498 -0.163
349 HB2 ARG 48 HB3 ARG 48 0.218 15.334 0.007
350 HB3 ARG 48 HB2 ARG 48 -0.681 16.793 0.392
351 HG2 ARG 48 HG3 ARG 48 -1.528 15.925 2.329
352 HG3 ARG 48 HG2 ARG 48 -1.415 14.256 1.757
353 HD2 ARG 48 HD3 ARG 48 0.261 15.141 3.552
354 HD3 ARG 48 HD2 ARG 48 0.824 14.095 2.249
355 HE ARG 48 HE ARG 48 1.082 17.040 2.169
356 HH11 ARG 48 HH11 ARG 48 2.415 13.816 1.801
357 HH12 ARG 48 HH12 ARG 48 3.899 14.376 1.073
358 HH21 ARG 48 HH22 ARG 48 3.022 17.782 1.204
359 HH22 ARG 48 HH21 ARG 48 4.249 16.636 0.752
360 H THR 49 H THR 49 0.294 15.845 -1.848
361 HA THR 49 HA THR 49 -0.873 17.939 -3.460
362 HB THR 49 HB THR 49 1.251 18.418 -2.452
363 HG1 THR 49 HG1 THR 49 1.057 18.249 -5.221
364 HG21 THR 49 HG21 THR 49 2.312 16.007 -3.924
365 HG22 THR 49 HG22 THR 49 2.085 16.149 -2.181
366 HG23 THR 49 HG23 THR 49 3.285 17.151 -2.999
367 H LYS 50 H LYS 50 -0.711 14.691 -3.800
368 HA LYS 50 HA LYS 50 -0.985 13.235 -5.509
369 HB2 LYS 50 HB3 LYS 50 -1.733 15.768 -6.977
370 HB3 LYS 50 HB2 LYS 50 -1.978 14.146 -7.613
371 HG2 LYS 50 HG3 LYS 50 -3.154 15.110 -5.019
372 HG3 LYS 50 HG2 LYS 50 -3.991 15.190 -6.570
373 HD2 LYS 50 HD3 LYS 50 -2.862 12.620 -5.503
374 HD3 LYS 50 HD2 LYS 50 -4.478 13.178 -5.072
375 HE2 LYS 50 HE3 LYS 50 -5.117 13.216 -7.411
376 HE3 LYS 50 HE2 LYS 50 -3.484 12.751 -7.887
377 HZ1 LYS 50 HZ1 LYS 50 -5.292 10.959 -7.747
378 HZ2 LYS 50 HZ2 LYS 50 -5.059 11.043 -6.071
379 HZ3 LYS 50 HZ3 LYS 50 -3.770 10.616 -7.087
380 H GLN 51 H GLN 51 1.631 14.465 -5.066
381 HA GLN 51 HA GLN 51 2.837 14.516 -7.702
382 HB2 GLN 51 HB3 GLN 51 3.872 15.049 -4.933
383 HB3 GLN 51 HB2 GLN 51 4.974 14.830 -6.284
384 HG2 GLN 51 HG3 GLN 51 2.779 16.884 -6.209
385 HG3 GLN 51 HG2 GLN 51 4.449 17.196 -5.744
386 HE21 GLN 51 HE22 GLN 51 4.745 18.722 -7.340
387 HE22 GLN 51 HE21 GLN 51 4.880 18.300 -9.021
388 H PHE 52 H PHE 52 4.845 13.220 -8.025
389 HA PHE 52 HA PHE 52 4.352 10.486 -7.042
390 HB2 PHE 52 HB3 PHE 52 5.583 11.212 -9.712
391 HB3 PHE 52 HB2 PHE 52 5.009 9.636 -9.190
392 HD1 PHE 52 HD2 PHE 52 4.005 12.964 -10.356
393 HD2 PHE 52 HD1 PHE 52 2.706 9.054 -9.316
394 HE1 PHE 52 HE2 PHE 52 1.826 13.421 -11.406
395 HE2 PHE 52 HE1 PHE 52 0.525 9.494 -10.367
396 HZ PHE 52 HZ PHE 52 0.082 11.678 -11.413
397 H GLY 53 H GLY 53 5.874 10.037 -5.607
398 HA2 GLY 53 HA3 GLY 53 8.682 10.580 -6.352
399 HA3 GLY 53 HA2 GLY 53 8.090 11.006 -4.751
400 H THR 54 H THR 54 10.214 9.120 -5.471
401 HA THR 54 HA THR 54 8.979 6.585 -4.658
402 HB THR 54 HB THR 54 10.381 6.500 -6.663
403 HG1 THR 54 HG1 THR 54 10.396 4.789 -4.839
404 HG21 THR 54 HG21 THR 54 12.865 6.775 -6.399
405 HG22 THR 54 HG22 THR 54 12.558 7.496 -4.818
406 HG23 THR 54 HG23 THR 54 11.942 8.273 -6.279
407 H PHE 55 H PHE 55 9.625 5.495 -2.822
408 HA PHE 55 HA PHE 55 11.801 6.420 -1.215
409 HB2 PHE 55 HB3 PHE 55 10.435 6.917 0.804
410 HB3 PHE 55 HB2 PHE 55 10.198 8.078 -0.489
411 HD1 PHE 55 HD1 PHE 55 8.050 8.135 -1.725
412 HD2 PHE 55 HD2 PHE 55 8.692 5.513 1.572
413 HE1 PHE 55 HE1 PHE 55 5.624 7.787 -1.525
414 HE2 PHE 55 HE2 PHE 55 6.267 5.164 1.771
415 HZ PHE 55 HZ PHE 55 4.732 6.300 0.220
416 HA PRO 56 HA PRO 56 12.019 2.287 0.207
417 HB2 PRO 56 HB2 PRO 56 11.780 3.158 3.032
418 HB3 PRO 56 HB3 PRO 56 13.059 2.230 2.245
419 HG2 PRO 56 HG3 PRO 56 13.408 4.798 2.924
420 HG3 PRO 56 HG2 PRO 56 14.126 4.117 1.455
421 HD2 PRO 56 HD3 PRO 56 11.768 5.909 1.756
422 HD3 PRO 56 HD2 PRO 56 12.973 5.830 0.455
423 H GLY 57 H GLY 57 10.557 0.697 0.329
424 HA2 GLY 57 HA3 GLY 57 7.859 1.279 1.198
425 HA3 GLY 57 HA2 GLY 57 8.430 -0.231 0.505
426 H ASN 58 H ASN 58 10.694 -0.047 2.564
427 HA ASN 58 HA ASN 58 9.238 -1.411 4.701
428 HB2 ASN 58 HB3 ASN 58 11.266 -2.461 3.713
429 HB3 ASN 58 HB2 ASN 58 12.223 -1.093 4.267
430 HD21 ASN 58 HD22 ASN 58 13.538 -2.378 5.502
431 HD22 ASN 58 HD21 ASN 58 13.012 -3.108 6.981
432 H TYR 59 H TYR 59 8.747 1.254 4.447
433 HA TYR 59 HA TYR 59 9.873 2.359 6.914
434 HB2 TYR 59 HB3 TYR 59 11.135 3.578 5.403
435 HB3 TYR 59 HB2 TYR 59 9.916 3.481 4.143
436 HD1 TYR 59 HD1 TYR 59 8.108 5.067 4.046
437 HD2 TYR 59 HD2 TYR 59 11.111 5.368 7.038
438 HE1 TYR 59 HE1 TYR 59 7.404 7.388 4.510
439 HE2 TYR 59 HE2 TYR 59 10.419 7.677 7.518
440 HH TYR 59 HH TYR 59 7.541 9.007 6.476
441 H VAL 60 H VAL 60 7.262 1.381 5.194
442 HA VAL 60 HA VAL 60 5.432 3.328 6.417
443 HB VAL 60 HB VAL 60 5.676 3.534 3.931
444 HG11 VAL 60 HG11 VAL 60 4.489 1.818 2.552
445 HG12 VAL 60 HG12 VAL 60 4.548 0.764 3.965
446 HG13 VAL 60 HG13 VAL 60 6.046 1.326 3.218
447 HG21 VAL 60 HG21 VAL 60 3.213 3.479 3.465
448 HG22 VAL 60 HG22 VAL 60 3.729 4.430 4.858
449 HG23 VAL 60 HG23 VAL 60 3.025 2.835 5.097
450 H LYS 61 H LYS 61 3.227 2.382 6.876
451 HA LYS 61 HA LYS 61 3.444 -0.517 7.369
452 HB2 LYS 61 HB3 LYS 61 2.438 -0.333 9.465
453 HB3 LYS 61 HB2 LYS 61 3.534 1.037 9.419
454 HG2 LYS 61 HG3 LYS 61 1.815 2.574 9.237
455 HG3 LYS 61 HG2 LYS 61 0.675 1.377 8.620
456 HD2 LYS 61 HD3 LYS 61 1.782 1.439 11.417
457 HD3 LYS 61 HD2 LYS 61 0.186 2.025 10.948
458 HE2 LYS 61 HE3 LYS 61 -0.509 -0.162 10.318
459 HE3 LYS 61 HE2 LYS 61 1.130 -0.793 10.464
460 HZ1 LYS 61 HZ1 LYS 61 -0.087 -1.462 12.371
461 HZ2 LYS 61 HZ2 LYS 61 -0.657 0.109 12.662
462 HZ3 LYS 61 HZ3 LYS 61 0.983 -0.253 12.880
463 HA PRO 62 HA PRO 62 -0.264 -1.207 5.090
464 HB2 PRO 62 HB2 PRO 62 -1.413 -3.147 6.650
465 HB3 PRO 62 HB3 PRO 62 -0.062 -3.447 5.549
466 HG2 PRO 62 HG3 PRO 62 0.002 -2.888 8.502
467 HG3 PRO 62 HG2 PRO 62 0.839 -4.158 7.596
468 HD2 PRO 62 HD3 PRO 62 2.135 -1.976 8.313
469 HD3 PRO 62 HD2 PRO 62 2.381 -2.658 6.688
470 H LEU 63 H LEU 63 -2.368 -0.529 5.023
471 HA LEU 63 HA LEU 63 -3.370 1.204 6.978
472 HB2 LEU 63 HB3 LEU 63 -4.795 -0.275 4.774
473 HB3 LEU 63 HB2 LEU 63 -5.534 0.980 5.753
474 HG LEU 63 HG LEU 63 -3.170 1.331 3.908
475 HD11 LEU 63 HD11 LEU 63 -5.272 1.051 2.713
476 HD12 LEU 63 HD12 LEU 63 -4.718 2.721 2.605
477 HD13 LEU 63 HD13 LEU 63 -6.026 2.294 3.709
478 HD21 LEU 63 HD21 LEU 63 -4.653 3.366 5.558
479 HD22 LEU 63 HD22 LEU 63 -3.320 3.683 4.446
480 HD23 LEU 63 HD23 LEU 63 -3.045 2.729 5.905
481 H TYR 64 H TYR 64 -4.435 0.896 8.774
482 HA TYR 64 HA TYR 64 -4.788 -1.805 9.707
483 HB2 TYR 64 HB3 TYR 64 -5.421 -0.465 11.862
484 HB3 TYR 64 HB2 TYR 64 -3.745 -0.574 11.352
485 HD1 TYR 64 HD1 TYR 64 -2.776 1.367 10.048
486 HD2 TYR 64 HD2 TYR 64 -6.474 1.624 12.126
487 HE1 TYR 64 HE1 TYR 64 -2.615 3.826 10.013
488 HE2 TYR 64 HE2 TYR 64 -6.331 4.079 12.094
489 HH TYR 64 HH TYR 64 -4.156 5.768 10.129
Start of MODEL 9
1 H1 GLN 1 H1 GLN 1 -0.750 -11.572 -7.815
2 H2 GLN 1 H2 GLN 1 0.386 -12.721 -7.296
3 H3 GLN 1 H3 GLN 1 -0.393 -12.919 -8.788
4 HA GLN 1 HA GLN 1 1.381 -10.645 -8.129
5 HB2 GLN 1 HB3 GLN 1 3.079 -11.775 -9.524
6 HB3 GLN 1 HB2 GLN 1 2.693 -12.675 -8.066
7 HG2 GLN 1 HG3 GLN 1 1.264 -14.170 -9.361
8 HG3 GLN 1 HG2 GLN 1 1.645 -13.266 -10.825
9 HE21 GLN 1 HE22 GLN 1 4.428 -12.862 -10.033
10 HE22 GLN 1 HE21 GLN 1 5.216 -14.383 -10.268
11 H THR 2 H THR 2 -1.262 -11.420 -9.810
12 HA THR 2 HA THR 2 -0.493 -10.672 -12.466
13 HB THR 2 HB THR 2 -3.298 -10.525 -11.382
14 HG1 THR 2 HG1 THR 2 -1.717 -12.805 -12.043
15 HG21 THR 2 HG21 THR 2 -2.274 -11.388 -14.080
16 HG22 THR 2 HG22 THR 2 -2.704 -9.724 -13.698
17 HG23 THR 2 HG23 THR 2 -3.934 -10.990 -13.632
18 H SER 3 H SER 3 0.206 -8.677 -12.895
19 HA SER 3 HA SER 3 0.406 -6.422 -12.956
20 HB2 SER 3 HB3 SER 3 -2.511 -6.479 -12.132
21 HB3 SER 3 HB2 SER 3 -1.658 -5.084 -12.796
22 HG SER 3 HG SER 3 -2.893 -6.993 -14.128
23 H GLN 4 H GLN 4 -1.321 -4.697 -11.062
24 HA GLN 4 HA GLN 4 0.555 -4.592 -8.930
25 HB2 GLN 4 HB3 GLN 4 -1.992 -3.168 -9.562
26 HB3 GLN 4 HB2 GLN 4 -1.365 -3.076 -7.921
27 HG2 GLN 4 HG3 GLN 4 -0.545 -1.185 -9.055
28 HG3 GLN 4 HG2 GLN 4 0.807 -2.308 -8.908
29 HE21 GLN 4 HE22 GLN 4 -1.809 -2.636 -11.230
30 HE22 GLN 4 HE21 GLN 4 -0.840 -2.339 -12.640
31 H ASP 5 H ASP 5 0.704 -6.113 -7.488
32 HA ASP 5 HA ASP 5 -1.749 -7.403 -6.498
33 HB2 ASP 5 HB3 ASP 5 0.078 -8.745 -7.757
34 HB3 ASP 5 HB2 ASP 5 1.009 -8.539 -6.282
35 H LEU 6 H LEU 6 -0.002 -5.053 -5.791
36 HA LEU 6 HA LEU 6 0.927 -5.646 -3.127
37 HB2 LEU 6 HB3 LEU 6 0.950 -3.098 -4.736
38 HB3 LEU 6 HB2 LEU 6 1.713 -3.320 -3.179
39 HG LEU 6 HG LEU 6 2.473 -5.140 -5.408
40 HD11 LEU 6 HD11 LEU 6 4.315 -3.353 -5.810
41 HD12 LEU 6 HD12 LEU 6 3.113 -2.240 -5.140
42 HD13 LEU 6 HD13 LEU 6 2.742 -3.177 -6.587
43 HD21 LEU 6 HD21 LEU 6 4.094 -3.866 -3.212
44 HD22 LEU 6 HD22 LEU 6 4.542 -5.235 -4.229
45 HD23 LEU 6 HD23 LEU 6 3.251 -5.402 -3.037
46 H PHE 7 H PHE 7 0.497 -3.367 -1.774
47 HA PHE 7 HA PHE 7 -2.409 -2.993 -1.647
48 HB2 PHE 7 HB3 PHE 7 -0.816 -3.304 0.882
49 HB3 PHE 7 HB2 PHE 7 -2.551 -3.405 0.661
50 HD1 PHE 7 HD2 PHE 7 -3.593 -5.432 -0.199
51 HD2 PHE 7 HD1 PHE 7 0.600 -5.223 0.497
52 HE1 PHE 7 HE2 PHE 7 -3.452 -7.884 -0.316
53 HE2 PHE 7 HE1 PHE 7 0.745 -7.675 0.376
54 HZ PHE 7 HZ PHE 7 -1.282 -9.007 -0.030
55 H SER 8 H SER 8 -2.880 -1.214 -0.022
56 HA SER 8 HA SER 8 -1.056 1.016 -0.555
57 HB2 SER 8 HB3 SER 8 -3.775 1.198 0.704
58 HB3 SER 8 HB2 SER 8 -2.880 2.460 -0.120
59 HG SER 8 HG SER 8 -4.155 1.868 -1.714
60 H TYR 9 H TYR 9 -0.155 2.201 1.093
61 HA TYR 9 HA TYR 9 -0.400 1.032 3.781
62 HB2 TYR 9 HB3 TYR 9 2.180 1.846 2.407
63 HB3 TYR 9 HB2 TYR 9 2.035 1.399 4.092
64 HD1 TYR 9 HD2 TYR 9 1.344 -0.008 0.685
65 HD2 TYR 9 HD1 TYR 9 2.431 -0.726 4.717
66 HE1 TYR 9 HE2 TYR 9 1.728 -2.378 0.149
67 HE2 TYR 9 HE1 TYR 9 2.820 -3.103 4.208
68 HH TYR 9 HH TYR 9 3.167 -4.278 1.143
69 H GLN 10 H GLN 10 0.121 2.448 5.525
70 HA GLN 10 HA GLN 10 -0.192 5.311 4.856
71 HB2 GLN 10 HB3 GLN 10 -1.980 4.161 6.268
72 HB3 GLN 10 HB2 GLN 10 -0.757 3.990 7.518
73 HG2 GLN 10 HG3 GLN 10 -0.500 6.441 7.571
74 HG3 GLN 10 HG2 GLN 10 -1.780 6.572 6.363
75 HE21 GLN 10 HE22 GLN 10 -3.903 6.082 6.953
76 HE22 GLN 10 HE21 GLN 10 -4.400 6.010 8.609
77 H ALA 11 H ALA 11 1.437 6.638 5.422
78 HA ALA 11 HA ALA 11 3.882 5.397 6.289
79 HB1 ALA 11 HB1 ALA 11 4.942 7.192 5.388
80 HB2 ALA 11 HB2 ALA 11 3.710 8.322 5.932
81 HB3 ALA 11 HB3 ALA 11 3.411 7.311 4.519
82 H LEU 12 H LEU 12 4.937 5.636 8.131
83 HA LEU 12 HA LEU 12 3.446 6.056 10.467
84 HB2 LEU 12 HB3 LEU 12 6.446 5.984 10.220
85 HB3 LEU 12 HB2 LEU 12 5.488 5.564 11.628
86 HG LEU 12 HG LEU 12 5.243 4.031 9.058
87 HD11 LEU 12 HD11 LEU 12 7.197 3.575 11.302
88 HD12 LEU 12 HD12 LEU 12 7.572 3.987 9.628
89 HD13 LEU 12 HD13 LEU 12 6.848 2.425 10.009
90 HD21 LEU 12 HD21 LEU 12 4.657 3.385 11.945
91 HD22 LEU 12 HD22 LEU 12 4.531 2.244 10.606
92 HD23 LEU 12 HD23 LEU 12 3.484 3.658 10.657
93 H TYR 13 H TYR 13 5.877 8.040 8.840
94 HA TYR 13 HA TYR 13 4.874 10.388 10.184
95 HB2 TYR 13 HB3 TYR 13 7.196 11.116 10.870
96 HB3 TYR 13 HB2 TYR 13 6.493 9.826 11.834
97 HD1 TYR 13 HD1 TYR 13 7.331 7.501 11.579
98 HD2 TYR 13 HD2 TYR 13 9.209 10.778 9.614
99 HE1 TYR 13 HE1 TYR 13 9.341 6.131 11.224
100 HE2 TYR 13 HE2 TYR 13 11.220 9.412 9.255
101 HH TYR 13 HH TYR 13 12.308 7.445 10.281
102 H SER 14 H SER 14 6.408 12.332 9.412
103 HA SER 14 HA SER 14 5.956 12.322 6.585
104 HB2 SER 14 HB3 SER 14 7.234 14.535 8.194
105 HB3 SER 14 HB2 SER 14 6.331 14.665 6.682
106 HG SER 14 HG SER 14 5.394 14.270 9.290
107 H TYR 15 H TYR 15 7.453 12.816 4.960
108 HA TYR 15 HA TYR 15 10.278 12.284 5.592
109 HB2 TYR 15 HB3 TYR 15 9.138 10.224 4.712
110 HB3 TYR 15 HB2 TYR 15 8.752 11.119 3.258
111 HD1 TYR 15 HD2 TYR 15 11.594 9.773 5.222
112 HD2 TYR 15 HD1 TYR 15 10.265 11.341 1.498
113 HE1 TYR 15 HE2 TYR 15 13.706 9.068 4.173
114 HE2 TYR 15 HE1 TYR 15 12.367 10.640 0.441
115 HH TYR 15 HH TYR 15 14.516 9.981 0.876
116 H ILE 16 H ILE 16 11.701 13.538 4.452
117 HA ILE 16 HA ILE 16 10.530 15.415 2.511
118 HB ILE 16 HB ILE 16 13.030 15.751 4.181
119 HG12 ILE 16 HG13 ILE 16 10.974 15.874 5.521
120 HG13 ILE 16 HG12 ILE 16 11.749 17.441 5.383
121 HG21 ILE 16 HG21 ILE 16 11.645 17.856 2.548
122 HG22 ILE 16 HG22 ILE 16 12.933 16.854 1.893
123 HG23 ILE 16 HG23 ILE 16 13.256 17.912 3.267
124 HD11 ILE 16 HD11 ILE 16 10.102 18.318 4.108
125 HD12 ILE 16 HD12 ILE 16 9.173 17.172 5.071
126 HD13 ILE 16 HD13 ILE 16 9.670 16.753 3.430
127 HA PRO 17 HA PRO 17 12.838 13.153 -0.515
128 HB2 PRO 17 HB2 PRO 17 12.565 15.548 -2.187
129 HB3 PRO 17 HB3 PRO 17 11.941 13.919 -2.454
130 HG2 PRO 17 HG3 PRO 17 10.360 16.015 -1.809
131 HG3 PRO 17 HG2 PRO 17 9.985 14.347 -1.351
132 HD2 PRO 17 HD3 PRO 17 11.048 16.574 0.310
133 HD3 PRO 17 HD2 PRO 17 9.983 15.238 0.763
134 H GLN 18 H GLN 18 14.957 12.965 -0.711
135 HA GLN 18 HA GLN 18 16.734 15.222 -0.295
136 HB2 GLN 18 HB3 GLN 18 17.438 12.408 -1.160
137 HB3 GLN 18 HB2 GLN 18 18.505 13.593 -0.419
138 HG2 GLN 18 HG3 GLN 18 17.426 13.392 1.669
139 HG3 GLN 18 HG2 GLN 18 16.090 12.480 0.969
140 HE21 GLN 18 HE22 GLN 18 16.434 10.340 0.326
141 HE22 GLN 18 HE21 GLN 18 17.735 9.408 0.988
142 H ASN 19 H ASN 19 15.808 12.985 -2.831
143 HA ASN 19 HA ASN 19 16.656 14.954 -4.855
144 HB2 ASN 19 HB3 ASN 19 16.378 11.940 -4.999
145 HB3 ASN 19 HB2 ASN 19 16.518 12.949 -6.432
146 HD21 ASN 19 HD22 ASN 19 18.455 11.903 -7.012
147 HD22 ASN 19 HD21 ASN 19 19.939 12.230 -6.180
148 H ASP 20 H ASP 20 15.131 15.286 -6.615
149 HA ASP 20 HA ASP 20 12.448 15.403 -5.647
150 HB2 ASP 20 HB3 ASP 20 13.724 16.136 -8.265
151 HB3 ASP 20 HB2 ASP 20 11.979 16.218 -8.039
152 H ASP 21 H ASP 21 14.126 12.898 -7.041
153 HA ASP 21 HA ASP 21 11.901 11.609 -8.324
154 HB2 ASP 21 HB3 ASP 21 14.522 10.508 -7.283
155 HB3 ASP 21 HB2 ASP 21 13.336 9.561 -8.176
156 H GLU 22 H GLU 22 13.130 11.985 -5.139
157 HA GLU 22 HA GLU 22 11.522 9.881 -3.986
158 HB2 GLU 22 HB3 GLU 22 13.135 12.085 -2.678
159 HB3 GLU 22 HB2 GLU 22 12.408 10.718 -1.843
160 HG2 GLU 22 HG3 GLU 22 13.839 9.180 -3.030
161 HG3 GLU 22 HG2 GLU 22 14.499 10.497 -3.992
162 H LEU 23 H LEU 23 9.943 10.381 -2.297
163 HA LEU 23 HA LEU 23 8.191 12.455 -3.382
164 HB2 LEU 23 HB3 LEU 23 7.474 10.074 -3.346
165 HB3 LEU 23 HB2 LEU 23 7.524 10.126 -1.595
166 HG LEU 23 HG LEU 23 5.691 11.651 -1.507
167 HD11 LEU 23 HD11 LEU 23 4.624 12.552 -3.497
168 HD12 LEU 23 HD12 LEU 23 5.825 11.758 -4.516
169 HD13 LEU 23 HD13 LEU 23 6.313 13.053 -3.423
170 HD21 LEU 23 HD21 LEU 23 3.977 10.349 -2.777
171 HD22 LEU 23 HD22 LEU 23 5.038 9.384 -1.745
172 HD23 LEU 23 HD23 LEU 23 5.319 9.446 -3.484
173 H GLU 24 H GLU 24 7.396 14.107 -2.190
174 HA GLU 24 HA GLU 24 8.380 14.516 0.481
175 HB2 GLU 24 HB3 GLU 24 7.566 16.240 -1.453
176 HB3 GLU 24 HB2 GLU 24 6.108 16.153 -0.472
177 HG2 GLU 24 HG3 GLU 24 7.518 16.690 1.524
178 HG3 GLU 24 HG2 GLU 24 8.856 16.971 0.413
179 H LEU 25 H LEU 25 7.502 13.656 2.190
180 HA LEU 25 HA LEU 25 4.880 12.344 1.932
181 HB2 LEU 25 HB3 LEU 25 7.131 11.066 2.055
182 HB3 LEU 25 HB2 LEU 25 7.128 11.535 3.736
183 HG LEU 25 HG LEU 25 6.349 9.234 3.351
184 HD11 LEU 25 HD11 LEU 25 4.085 10.870 4.397
185 HD12 LEU 25 HD12 LEU 25 5.639 10.810 5.218
186 HD13 LEU 25 HD13 LEU 25 4.713 9.326 4.980
187 HD21 LEU 25 HD21 LEU 25 4.005 8.991 2.480
188 HD22 LEU 25 HD22 LEU 25 5.230 9.389 1.270
189 HD23 LEU 25 HD23 LEU 25 4.150 10.645 1.868
190 H ARG 26 H ARG 26 3.345 12.843 3.411
191 HA ARG 26 HA ARG 26 4.230 14.263 5.842
192 HB2 ARG 26 HB3 ARG 26 2.651 15.520 4.378
193 HB3 ARG 26 HB2 ARG 26 1.459 14.258 4.640
194 HG2 ARG 26 HG3 ARG 26 1.008 16.100 6.103
195 HG3 ARG 26 HG2 ARG 26 1.555 14.723 7.060
196 HD2 ARG 26 HD3 ARG 26 3.870 15.731 6.933
197 HD3 ARG 26 HD2 ARG 26 3.102 17.172 6.279
198 HE ARG 26 HE ARG 26 2.157 16.143 8.848
199 HH11 ARG 26 HH11 ARG 26 4.034 18.517 7.088
200 HH12 ARG 26 HH12 ARG 26 4.047 19.668 8.389
201 HH21 ARG 26 HH22 ARG 26 2.167 17.640 10.571
202 HH22 ARG 26 HH21 ARG 26 2.970 19.175 10.375
203 H ASP 27 H ASP 27 3.550 13.531 7.820
204 HA ASP 27 HA ASP 27 3.312 10.826 8.215
205 HB2 ASP 27 HB3 ASP 27 2.456 11.331 10.486
206 HB3 ASP 27 HB2 ASP 27 3.878 12.257 10.047
207 H GLY 28 H GLY 28 1.836 9.363 8.115
208 HA2 GLY 28 HA3 GLY 28 -0.213 8.342 7.959
209 HA3 GLY 28 HA2 GLY 28 -0.986 9.880 8.283
210 H ASP 29 H ASP 29 1.298 9.642 5.704
211 HA ASP 29 HA ASP 29 -0.718 10.126 3.696
212 HB2 ASP 29 HB3 ASP 29 2.162 10.264 3.844
213 HB3 ASP 29 HB2 ASP 29 1.685 9.354 2.426
214 H ILE 30 H ILE 30 -1.297 8.708 2.022
215 HA ILE 30 HA ILE 30 -0.733 5.881 2.577
216 HB ILE 30 HB ILE 30 -2.982 7.097 0.952
217 HG12 ILE 30 HG13 ILE 30 -4.393 5.971 2.716
218 HG13 ILE 30 HG12 ILE 30 -2.922 5.690 3.626
219 HG21 ILE 30 HG21 ILE 30 -2.526 4.196 1.619
220 HG22 ILE 30 HG22 ILE 30 -2.135 4.922 0.066
221 HG23 ILE 30 HG23 ILE 30 -3.810 4.870 0.617
222 HD11 ILE 30 HD11 ILE 30 -4.245 7.624 4.397
223 HD12 ILE 30 HD12 ILE 30 -3.935 8.407 2.847
224 HD13 ILE 30 HD13 ILE 30 -2.592 8.024 3.931
225 H VAL 31 H VAL 31 0.354 4.681 1.114
226 HA VAL 31 HA VAL 31 1.270 6.157 -1.254
227 HB VAL 31 HB VAL 31 3.115 5.719 0.188
228 HG11 VAL 31 HG11 VAL 31 2.329 2.810 0.115
229 HG12 VAL 31 HG12 VAL 31 2.173 3.890 1.500
230 HG13 VAL 31 HG13 VAL 31 3.773 3.466 0.886
231 HG21 VAL 31 HG21 VAL 31 3.143 3.786 -2.124
232 HG22 VAL 31 HG22 VAL 31 4.567 4.363 -1.259
233 HG23 VAL 31 HG23 VAL 31 3.579 5.494 -2.182
234 H ASP 32 H ASP 32 0.909 5.460 -3.146
235 HA ASP 32 HA ASP 32 0.082 2.670 -3.592
236 HB2 ASP 32 HB3 ASP 32 -1.713 4.272 -4.142
237 HB3 ASP 32 HB2 ASP 32 -0.610 5.147 -5.200
238 H VAL 33 H VAL 33 1.698 1.551 -4.469
239 HA VAL 33 HA VAL 33 3.981 2.982 -5.377
240 HB VAL 33 HB VAL 33 4.887 1.287 -4.318
241 HG11 VAL 33 HG11 VAL 33 2.310 -0.124 -4.750
242 HG12 VAL 33 HG12 VAL 33 3.097 0.410 -3.256
243 HG13 VAL 33 HG13 VAL 33 3.719 -0.989 -4.131
244 HG21 VAL 33 HG21 VAL 33 4.291 -0.013 -6.947
245 HG22 VAL 33 HG22 VAL 33 5.231 -0.829 -5.692
246 HG23 VAL 33 HG23 VAL 33 5.800 0.695 -6.367
247 H MET 34 H MET 34 4.606 3.464 -7.241
248 HA MET 34 HA MET 34 2.966 2.810 -9.544
249 HB2 MET 34 HB3 MET 34 5.288 4.727 -9.186
250 HB3 MET 34 HB2 MET 34 4.366 4.541 -10.676
251 HG2 MET 34 HG3 MET 34 3.229 5.392 -8.033
252 HG3 MET 34 HG2 MET 34 3.683 6.486 -9.336
253 HE1 MET 34 HE1 MET 34 1.128 5.492 -12.145
254 HE2 MET 34 HE2 MET 34 2.772 4.897 -11.919
255 HE3 MET 34 HE3 MET 34 2.413 6.609 -11.685
256 H GLU 35 H GLU 35 6.066 2.073 -8.208
257 HA GLU 35 HA GLU 35 6.570 0.054 -10.188
258 HB2 GLU 35 HB3 GLU 35 7.360 2.118 -11.333
259 HB3 GLU 35 HB2 GLU 35 8.481 2.390 -10.005
260 HG2 GLU 35 HG3 GLU 35 9.543 0.221 -10.520
261 HG3 GLU 35 HG2 GLU 35 8.474 0.067 -11.912
262 H LYS 36 H LYS 36 8.103 -1.409 -9.525
263 HA LYS 36 HA LYS 36 8.913 -1.156 -6.727
264 HB2 LYS 36 HB3 LYS 36 9.076 -3.579 -8.522
265 HB3 LYS 36 HB2 LYS 36 9.320 -3.546 -6.786
266 HG2 LYS 36 HG3 LYS 36 6.967 -2.945 -6.483
267 HG3 LYS 36 HG2 LYS 36 6.739 -3.007 -8.233
268 HD2 LYS 36 HD3 LYS 36 7.488 -5.377 -8.191
269 HD3 LYS 36 HD2 LYS 36 7.537 -5.292 -6.429
270 HE2 LYS 36 HE3 LYS 36 5.127 -4.657 -6.478
271 HE3 LYS 36 HE2 LYS 36 5.132 -4.969 -8.211
272 HZ1 LYS 36 HZ1 LYS 36 5.771 -6.966 -6.103
273 HZ2 LYS 36 HZ2 LYS 36 5.745 -7.261 -7.773
274 HZ3 LYS 36 HZ3 LYS 36 4.309 -6.873 -6.959
275 H CYS 37 H CYS 37 10.905 -0.447 -6.331
276 HA CYS 37 HA CYS 37 12.964 -0.677 -8.379
277 HB2 CYS 37 HB3 CYS 37 13.108 0.638 -5.654
278 HB3 CYS 37 HB2 CYS 37 14.272 0.805 -6.962
279 HG CYS 37 HG CYS 37 11.896 1.824 -8.570
280 H ASP 38 H ASP 38 14.552 -2.119 -8.307
281 HA ASP 38 HA ASP 38 14.405 -4.402 -6.699
282 HB2 ASP 38 HB3 ASP 38 15.426 -4.408 -8.912
283 HB3 ASP 38 HB2 ASP 38 16.708 -3.350 -8.337
284 H ASP 39 H ASP 39 15.926 -1.376 -6.193
285 HA ASP 39 HA ASP 39 17.927 -2.106 -4.349
286 HB2 ASP 39 HB3 ASP 39 17.628 0.119 -5.559
287 HB3 ASP 39 HB2 ASP 39 16.419 0.508 -4.341
288 H GLY 40 H GLY 40 14.497 -1.929 -4.041
289 HA2 GLY 40 HA3 GLY 40 13.590 -3.099 -2.070
290 HA3 GLY 40 HA2 GLY 40 14.781 -2.229 -1.111
291 H TRP 41 H TRP 41 13.667 -0.215 -3.471
292 HA TRP 41 HA TRP 41 11.783 1.086 -1.623
293 HB2 TRP 41 HB3 TRP 41 13.359 2.198 -3.966
294 HB3 TRP 41 HB2 TRP 41 12.175 3.114 -3.053
295 HD1 TRP 41 HD1 TRP 41 14.770 0.871 -1.322
296 HE1 TRP 41 HE1 TRP 41 16.348 2.373 0.060
297 HE3 TRP 41 HE3 TRP 41 13.080 5.434 -2.860
298 HZ2 TRP 41 HZ2 TRP 41 16.806 5.138 0.438
299 HZ3 TRP 41 HZ3 TRP 41 14.137 7.458 -1.945
300 HH2 TRP 41 HH2 TRP 41 15.958 7.314 -0.331
301 H PHE 42 H PHE 42 9.740 1.833 -2.462
302 HA PHE 42 HA PHE 42 9.198 0.995 -5.233
303 HB2 PHE 42 HB3 PHE 42 7.008 1.490 -3.191
304 HB3 PHE 42 HB2 PHE 42 6.896 0.680 -4.735
305 HD1 PHE 42 HD1 PHE 42 8.757 -1.347 -4.855
306 HD2 PHE 42 HD2 PHE 42 6.728 0.080 -1.406
307 HE1 PHE 42 HE1 PHE 42 9.056 -3.543 -3.782
308 HE2 PHE 42 HE2 PHE 42 7.027 -2.106 -0.316
309 HZ PHE 42 HZ PHE 42 8.192 -3.922 -1.505
310 H VAL 43 H VAL 43 7.850 2.478 -6.461
311 HA VAL 43 HA VAL 43 8.248 5.265 -5.674
312 HB VAL 43 HB VAL 43 6.818 4.344 -8.155
313 HG11 VAL 43 HG11 VAL 43 8.388 6.811 -7.469
314 HG12 VAL 43 HG12 VAL 43 6.654 6.678 -7.747
315 HG13 VAL 43 HG13 VAL 43 7.778 6.439 -9.082
316 HG21 VAL 43 HG21 VAL 43 9.617 4.958 -8.566
317 HG22 VAL 43 HG22 VAL 43 8.674 3.585 -9.136
318 HG23 VAL 43 HG23 VAL 43 9.388 3.562 -7.521
319 H GLY 44 H GLY 44 6.298 6.711 -5.818
320 HA2 GLY 44 HA3 GLY 44 3.757 5.456 -5.293
321 HA3 GLY 44 HA2 GLY 44 4.562 6.014 -3.836
322 H THR 45 H THR 45 2.064 6.926 -4.889
323 HA THR 45 HA THR 45 2.777 9.690 -5.589
324 HB THR 45 HB THR 45 0.009 8.499 -5.797
325 HG1 THR 45 HG1 THR 45 0.515 7.714 -7.786
326 HG21 THR 45 HG21 THR 45 1.275 10.632 -7.499
327 HG22 THR 45 HG22 THR 45 0.511 11.006 -5.955
328 HG23 THR 45 HG23 THR 45 -0.439 10.287 -7.257
329 H SER 46 H SER 46 2.254 11.317 -4.245
330 HA SER 46 HA SER 46 1.590 10.675 -1.516
331 HB2 SER 46 HB3 SER 46 3.320 12.322 -2.031
332 HB3 SER 46 HB2 SER 46 2.134 13.310 -2.872
333 HG SER 46 HG SER 46 2.383 12.794 -0.108
334 H ARG 47 H ARG 47 -0.194 11.230 -0.349
335 HA ARG 47 HA ARG 47 -2.599 11.499 -1.846
336 HB2 ARG 47 HB3 ARG 47 -2.257 11.610 1.127
337 HB3 ARG 47 HB2 ARG 47 -3.757 11.326 0.251
338 HG2 ARG 47 HG3 ARG 47 -1.371 9.570 0.061
339 HG3 ARG 47 HG2 ARG 47 -2.688 9.293 1.202
340 HD2 ARG 47 HD3 ARG 47 -3.419 7.989 -0.491
341 HD3 ARG 47 HD2 ARG 47 -4.073 9.519 -1.060
342 HE ARG 47 HE ARG 47 -1.415 8.647 -1.945
343 HH11 ARG 47 HH11 ARG 47 -4.757 9.388 -2.724
344 HH12 ARG 47 HH12 ARG 47 -4.462 9.476 -4.438
345 HH21 ARG 47 HH22 ARG 47 -1.040 8.759 -4.182
346 HH22 ARG 47 HH21 ARG 47 -2.351 9.122 -5.271
347 H ARG 48 H ARG 48 -0.573 13.495 0.061
348 HA ARG 48 HA ARG 48 -2.442 15.596 0.482
349 HB2 ARG 48 HB3 ARG 48 -0.595 16.732 1.558
350 HB3 ARG 48 HB2 ARG 48 -0.637 15.038 2.023
351 HG2 ARG 48 HG3 ARG 48 1.151 14.519 0.520
352 HG3 ARG 48 HG2 ARG 48 1.186 16.179 -0.063
353 HD2 ARG 48 HD3 ARG 48 1.667 15.405 2.803
354 HD3 ARG 48 HD2 ARG 48 2.956 15.578 1.613
355 HE ARG 48 HE ARG 48 1.211 17.761 2.561
356 HH11 ARG 48 HH11 ARG 48 4.170 16.607 1.102
357 HH12 ARG 48 HH12 ARG 48 4.963 18.158 1.138
358 HH21 ARG 48 HH22 ARG 48 2.251 19.812 2.648
359 HH22 ARG 48 HH21 ARG 48 3.844 19.986 1.967
360 H THR 49 H THR 49 0.323 15.188 -1.718
361 HA THR 49 HA THR 49 -0.438 17.759 -2.942
362 HB THR 49 HB THR 49 1.636 17.958 -1.658
363 HG1 THR 49 HG1 THR 49 1.659 18.234 -4.463
364 HG21 THR 49 HG21 THR 49 2.718 15.854 -3.526
365 HG22 THR 49 HG22 THR 49 2.396 15.652 -1.806
366 HG23 THR 49 HG23 THR 49 3.657 16.762 -2.340
367 H LYS 50 H LYS 50 -0.611 14.614 -3.530
368 HA LYS 50 HA LYS 50 -0.598 13.226 -5.309
369 HB2 LYS 50 HB3 LYS 50 -1.359 15.837 -6.595
370 HB3 LYS 50 HB2 LYS 50 -1.523 14.269 -7.381
371 HG2 LYS 50 HG3 LYS 50 -2.805 14.978 -4.754
372 HG3 LYS 50 HG2 LYS 50 -3.601 15.101 -6.311
373 HD2 LYS 50 HD3 LYS 50 -3.215 12.704 -6.686
374 HD3 LYS 50 HD2 LYS 50 -2.485 12.602 -5.083
375 HE2 LYS 50 HE3 LYS 50 -4.793 11.858 -5.017
376 HE3 LYS 50 HE2 LYS 50 -4.597 13.338 -4.082
377 HZ1 LYS 50 HZ1 LYS 50 -5.495 14.590 -5.934
378 HZ2 LYS 50 HZ2 LYS 50 -6.588 13.389 -5.448
379 HZ3 LYS 50 HZ3 LYS 50 -5.660 13.173 -6.851
380 H GLN 51 H GLN 51 2.017 14.434 -4.733
381 HA GLN 51 HA GLN 51 3.301 14.612 -7.308
382 HB2 GLN 51 HB3 GLN 51 4.292 14.625 -4.472
383 HB3 GLN 51 HB2 GLN 51 5.409 14.450 -5.814
384 HG2 GLN 51 HG3 GLN 51 3.474 16.732 -5.644
385 HG3 GLN 51 HG2 GLN 51 5.062 16.781 -4.877
386 HE21 GLN 51 HE22 GLN 51 6.900 16.831 -6.152
387 HE22 GLN 51 HE21 GLN 51 6.855 17.243 -7.828
388 H PHE 52 H PHE 52 5.080 13.124 -7.856
389 HA PHE 52 HA PHE 52 4.353 10.370 -7.100
390 HB2 PHE 52 HB3 PHE 52 5.521 11.313 -9.742
391 HB3 PHE 52 HB2 PHE 52 5.041 9.670 -9.346
392 HD1 PHE 52 HD2 PHE 52 3.817 13.061 -10.067
393 HD2 PHE 52 HD1 PHE 52 2.777 8.978 -9.490
394 HE1 PHE 52 HE2 PHE 52 1.570 13.515 -10.957
395 HE2 PHE 52 HE1 PHE 52 0.526 9.424 -10.383
396 HZ PHE 52 HZ PHE 52 -0.080 11.694 -11.115
397 H GLY 53 H GLY 53 5.850 9.810 -5.657
398 HA2 GLY 53 HA3 GLY 53 8.681 10.258 -6.367
399 HA3 GLY 53 HA2 GLY 53 8.072 10.694 -4.775
400 H THR 54 H THR 54 10.146 8.764 -5.576
401 HA THR 54 HA THR 54 8.922 6.281 -4.611
402 HB THR 54 HB THR 54 10.216 5.989 -6.613
403 HG1 THR 54 HG1 THR 54 10.450 4.464 -4.730
404 HG21 THR 54 HG21 THR 54 12.690 6.444 -6.593
405 HG22 THR 54 HG22 THR 54 12.453 7.346 -5.094
406 HG23 THR 54 HG23 THR 54 11.674 7.884 -6.584
407 H PHE 55 H PHE 55 9.600 5.290 -2.739
408 HA PHE 55 HA PHE 55 11.823 6.285 -1.224
409 HB2 PHE 55 HB3 PHE 55 10.520 6.894 0.790
410 HB3 PHE 55 HB2 PHE 55 10.186 7.961 -0.561
411 HD1 PHE 55 HD1 PHE 55 8.003 7.840 -1.721
412 HD2 PHE 55 HD2 PHE 55 8.858 5.516 1.744
413 HE1 PHE 55 HE1 PHE 55 5.599 7.443 -1.396
414 HE2 PHE 55 HE2 PHE 55 6.454 5.110 2.071
415 HZ PHE 55 HZ PHE 55 4.822 6.075 0.499
416 HA PRO 56 HA PRO 56 12.066 2.227 0.404
417 HB2 PRO 56 HB2 PRO 56 11.625 3.191 3.181
418 HB3 PRO 56 HB3 PRO 56 12.955 2.233 2.521
419 HG2 PRO 56 HG3 PRO 56 13.270 4.819 3.113
420 HG3 PRO 56 HG2 PRO 56 14.062 4.091 1.705
421 HD2 PRO 56 HD3 PRO 56 11.683 5.886 1.827
422 HD3 PRO 56 HD2 PRO 56 12.954 5.770 0.594
423 H GLY 57 H GLY 57 10.621 0.625 0.438
424 HA2 GLY 57 HA3 GLY 57 7.859 1.228 1.074
425 HA3 GLY 57 HA2 GLY 57 8.465 -0.275 0.398
426 H ASN 58 H ASN 58 10.512 0.022 2.768
427 HA ASN 58 HA ASN 58 8.813 -1.399 4.698
428 HB2 ASN 58 HB3 ASN 58 11.784 -1.328 4.233
429 HB3 ASN 58 HB2 ASN 58 11.132 -1.885 5.769
430 HD21 ASN 58 HD22 ASN 58 9.457 -2.399 2.759
431 HD22 ASN 58 HD21 ASN 58 9.708 -4.108 2.681
432 H TYR 59 H TYR 59 8.950 1.494 4.193
433 HA TYR 59 HA TYR 59 9.778 2.444 6.852
434 HB2 TYR 59 HB3 TYR 59 11.093 3.647 5.352
435 HB3 TYR 59 HB2 TYR 59 9.865 3.628 4.098
436 HD1 TYR 59 HD1 TYR 59 8.096 5.267 4.073
437 HD2 TYR 59 HD2 TYR 59 11.137 5.385 7.039
438 HE1 TYR 59 HE1 TYR 59 7.463 7.594 4.621
439 HE2 TYR 59 HE2 TYR 59 10.514 7.693 7.603
440 HH TYR 59 HH TYR 59 7.653 9.152 6.562
441 H VAL 60 H VAL 60 7.252 1.526 5.002
442 HA VAL 60 HA VAL 60 5.346 3.387 6.253
443 HB VAL 60 HB VAL 60 5.638 3.682 3.780
444 HG11 VAL 60 HG11 VAL 60 4.446 1.922 2.372
445 HG12 VAL 60 HG12 VAL 60 4.708 0.852 3.753
446 HG13 VAL 60 HG13 VAL 60 6.086 1.575 2.922
447 HG21 VAL 60 HG21 VAL 60 3.163 3.507 3.270
448 HG22 VAL 60 HG22 VAL 60 3.650 4.503 4.643
449 HG23 VAL 60 HG23 VAL 60 3.006 2.888 4.912
450 H LYS 61 H LYS 61 3.225 2.390 6.754
451 HA LYS 61 HA LYS 61 3.468 -0.526 7.087
452 HB2 LYS 61 HB3 LYS 61 2.618 -0.456 9.273
453 HB3 LYS 61 HB2 LYS 61 3.781 0.858 9.210
454 HG2 LYS 61 HG3 LYS 61 2.147 2.486 9.292
455 HG3 LYS 61 HG2 LYS 61 0.889 1.399 8.701
456 HD2 LYS 61 HD3 LYS 61 2.239 1.186 11.382
457 HD3 LYS 61 HD2 LYS 61 0.648 1.895 11.103
458 HE2 LYS 61 HE3 LYS 61 -0.233 -0.191 10.379
459 HE3 LYS 61 HE2 LYS 61 1.371 -0.916 10.326
460 HZ1 LYS 61 HZ1 LYS 61 0.161 -1.642 12.267
461 HZ2 LYS 61 HZ2 LYS 61 -0.056 -0.039 12.780
462 HZ3 LYS 61 HZ3 LYS 61 1.497 -0.714 12.735
463 HA PRO 62 HA PRO 62 -0.337 -1.260 5.052
464 HB2 PRO 62 HB2 PRO 62 -1.518 -2.956 6.928
465 HB3 PRO 62 HB3 PRO 62 -0.415 -3.442 5.638
466 HG2 PRO 62 HG3 PRO 62 0.162 -2.875 8.514
467 HG3 PRO 62 HG2 PRO 62 0.821 -4.149 7.473
468 HD2 PRO 62 HD3 PRO 62 2.272 -2.016 8.049
469 HD3 PRO 62 HD2 PRO 62 2.277 -2.677 6.398
470 H LEU 63 H LEU 63 -2.317 -0.414 4.890
471 HA LEU 63 HA LEU 63 -3.224 1.600 6.575
472 HB2 LEU 63 HB3 LEU 63 -4.644 -0.032 4.484
473 HB3 LEU 63 HB2 LEU 63 -5.386 1.336 5.293
474 HG LEU 63 HG LEU 63 -2.930 1.416 3.544
475 HD11 LEU 63 HD11 LEU 63 -5.785 2.270 3.154
476 HD12 LEU 63 HD12 LEU 63 -4.792 1.227 2.130
477 HD13 LEU 63 HD13 LEU 63 -4.463 2.956 2.213
478 HD21 LEU 63 HD21 LEU 63 -4.345 3.608 5.038
479 HD22 LEU 63 HD22 LEU 63 -3.059 3.846 3.853
480 HD23 LEU 63 HD23 LEU 63 -2.725 2.984 5.356
481 H TYR 64 H TYR 64 -5.006 1.771 7.909
482 HA TYR 64 HA TYR 64 -5.297 -0.425 9.703
483 HB2 TYR 64 HB3 TYR 64 -6.340 2.362 9.665
484 HB3 TYR 64 HB2 TYR 64 -6.702 1.237 10.951
485 HD1 TYR 64 HD1 TYR 64 -3.859 2.858 9.187
486 HD2 TYR 64 HD2 TYR 64 -5.260 1.031 12.759
487 HE1 TYR 64 HE1 TYR 64 -1.769 3.484 10.316
488 HE2 TYR 64 HE2 TYR 64 -3.175 1.653 13.900
489 HH TYR 64 HH TYR 64 -0.863 2.186 13.324
Start of MODEL 10
1 H1 GLN 1 H1 GLN 1 -5.484 3.440 -12.122
2 H2 GLN 1 H2 GLN 1 -3.889 2.876 -12.037
3 H3 GLN 1 H3 GLN 1 -5.178 1.810 -11.773
4 HA GLN 1 HA GLN 1 -4.609 3.197 -14.323
5 HB2 GLN 1 HB3 GLN 1 -3.987 0.420 -13.339
6 HB3 GLN 1 HB2 GLN 1 -4.204 0.739 -15.052
7 HG2 GLN 1 HG3 GLN 1 -1.866 0.751 -14.506
8 HG3 GLN 1 HG2 GLN 1 -2.377 2.371 -14.967
9 HE21 GLN 1 HE22 GLN 1 -0.635 3.310 -13.920
10 HE22 GLN 1 HE21 GLN 1 -0.542 3.411 -12.192
11 H THR 2 H THR 2 -6.907 3.798 -13.912
12 HA THR 2 HA THR 2 -9.135 3.619 -14.169
13 HB THR 2 HB THR 2 -9.927 2.471 -16.198
14 HG1 THR 2 HG1 THR 2 -8.376 1.404 -17.525
15 HG21 THR 2 HG21 THR 2 -7.362 4.019 -16.537
16 HG22 THR 2 HG22 THR 2 -8.976 4.702 -16.358
17 HG23 THR 2 HG23 THR 2 -8.572 3.758 -17.791
18 H SER 3 H SER 3 -8.814 0.292 -15.227
19 HA SER 3 HA SER 3 -10.748 -0.524 -13.243
20 HB2 SER 3 HB3 SER 3 -9.277 -2.337 -15.148
21 HB3 SER 3 HB2 SER 3 -10.882 -2.556 -14.449
22 HG SER 3 HG SER 3 -11.264 -0.418 -15.667
23 H GLN 4 H GLN 4 -7.348 -0.828 -13.851
24 HA GLN 4 HA GLN 4 -6.989 -2.780 -11.736
25 HB2 GLN 4 HB3 GLN 4 -5.153 -1.572 -13.781
26 HB3 GLN 4 HB2 GLN 4 -4.511 -2.457 -12.402
27 HG2 GLN 4 HG3 GLN 4 -4.649 -3.956 -14.234
28 HG3 GLN 4 HG2 GLN 4 -5.903 -4.394 -13.074
29 HE21 GLN 4 HE22 GLN 4 -7.244 -5.388 -14.480
30 HE22 GLN 4 HE21 GLN 4 -8.083 -4.576 -15.763
31 H ASP 5 H ASP 5 -6.605 -2.258 -9.744
32 HA ASP 5 HA ASP 5 -5.332 0.321 -9.155
33 HB2 ASP 5 HB3 ASP 5 -7.824 0.311 -8.716
34 HB3 ASP 5 HB2 ASP 5 -7.516 -0.916 -7.499
35 H LEU 6 H LEU 6 -4.156 0.345 -7.176
36 HA LEU 6 HA LEU 6 -2.915 -2.261 -6.728
37 HB2 LEU 6 HB3 LEU 6 -1.946 0.549 -6.291
38 HB3 LEU 6 HB2 LEU 6 -1.024 -0.898 -5.947
39 HG LEU 6 HG LEU 6 -2.093 -0.320 -8.682
40 HD11 LEU 6 HD11 LEU 6 0.541 0.268 -8.848
41 HD12 LEU 6 HD12 LEU 6 0.139 0.896 -7.243
42 HD13 LEU 6 HD13 LEU 6 -0.739 1.466 -8.659
43 HD21 LEU 6 HD21 LEU 6 0.203 -1.720 -8.971
44 HD22 LEU 6 HD22 LEU 6 -1.399 -2.451 -8.857
45 HD23 LEU 6 HD23 LEU 6 -0.382 -2.343 -7.425
46 H PHE 7 H PHE 7 -1.655 -1.981 -4.423
47 HA PHE 7 HA PHE 7 -3.768 -1.448 -2.468
48 HB2 PHE 7 HB3 PHE 7 -1.202 -3.007 -2.137
49 HB3 PHE 7 HB2 PHE 7 -2.374 -2.720 -0.865
50 HD1 PHE 7 HD1 PHE 7 -4.707 -3.032 -3.028
51 HD2 PHE 7 HD2 PHE 7 -1.444 -5.428 -1.723
52 HE1 PHE 7 HE1 PHE 7 -5.952 -5.059 -3.661
53 HE2 PHE 7 HE2 PHE 7 -2.678 -7.459 -2.361
54 HZ PHE 7 HZ PHE 7 -4.935 -7.275 -3.330
55 H SER 8 H SER 8 -3.118 -0.426 -0.477
56 HA SER 8 HA SER 8 -1.160 1.696 -1.040
57 HB2 SER 8 HB3 SER 8 -3.738 2.090 0.452
58 HB3 SER 8 HB2 SER 8 -2.653 3.325 -0.174
59 HG SER 8 HG SER 8 -3.216 2.657 -2.298
60 H TYR 9 H TYR 9 -0.008 2.500 0.669
61 HA TYR 9 HA TYR 9 -0.380 1.142 3.263
62 HB2 TYR 9 HB3 TYR 9 2.280 2.075 2.114
63 HB3 TYR 9 HB2 TYR 9 2.026 1.293 3.656
64 HD1 TYR 9 HD2 TYR 9 1.381 0.623 0.027
65 HD2 TYR 9 HD1 TYR 9 2.500 -0.898 3.828
66 HE1 TYR 9 HE2 TYR 9 1.791 -1.577 -0.990
67 HE2 TYR 9 HE1 TYR 9 2.917 -3.114 2.829
68 HH TYR 9 HH TYR 9 2.206 -4.401 0.846
69 H GLN 10 H GLN 10 0.011 2.452 5.123
70 HA GLN 10 HA GLN 10 -0.021 5.350 4.535
71 HB2 GLN 10 HB3 GLN 10 -1.998 4.395 5.774
72 HB3 GLN 10 HB2 GLN 10 -0.904 4.006 7.096
73 HG2 GLN 10 HG3 GLN 10 -0.366 6.378 7.358
74 HG3 GLN 10 HG2 GLN 10 -1.445 6.766 6.020
75 HE21 GLN 10 HE22 GLN 10 -1.242 5.711 9.323
76 HE22 GLN 10 HE21 GLN 10 -2.904 5.987 9.723
77 H ALA 11 H ALA 11 1.573 6.607 5.312
78 HA ALA 11 HA ALA 11 3.933 5.223 6.188
79 HB1 ALA 11 HB1 ALA 11 5.106 7.179 5.697
80 HB2 ALA 11 HB2 ALA 11 3.677 8.185 5.892
81 HB3 ALA 11 HB3 ALA 11 3.816 7.116 4.496
82 H LEU 12 H LEU 12 5.009 5.409 8.045
83 HA LEU 12 HA LEU 12 3.460 5.630 10.386
84 HB2 LEU 12 HB3 LEU 12 6.466 5.600 10.185
85 HB3 LEU 12 HB2 LEU 12 5.488 5.076 11.543
86 HG LEU 12 HG LEU 12 5.304 3.715 8.871
87 HD11 LEU 12 HD11 LEU 12 7.248 3.163 11.102
88 HD12 LEU 12 HD12 LEU 12 7.615 3.619 9.436
89 HD13 LEU 12 HD13 LEU 12 6.896 2.046 9.780
90 HD21 LEU 12 HD21 LEU 12 4.658 2.892 11.695
91 HD22 LEU 12 HD22 LEU 12 4.604 1.813 10.301
92 HD23 LEU 12 HD23 LEU 12 3.520 3.198 10.385
93 H TYR 13 H TYR 13 5.844 7.726 8.886
94 HA TYR 13 HA TYR 13 4.859 9.975 10.365
95 HB2 TYR 13 HB3 TYR 13 7.089 10.704 11.189
96 HB3 TYR 13 HB2 TYR 13 6.490 9.264 11.988
97 HD1 TYR 13 HD1 TYR 13 7.503 7.039 11.408
98 HD2 TYR 13 HD2 TYR 13 9.148 10.711 10.024
99 HE1 TYR 13 HE1 TYR 13 9.640 5.908 10.957
100 HE2 TYR 13 HE2 TYR 13 11.284 9.588 9.564
101 HH TYR 13 HH TYR 13 11.620 6.240 9.484
102 H SER 14 H SER 14 6.502 11.927 9.697
103 HA SER 14 HA SER 14 6.091 12.003 6.839
104 HB2 SER 14 HB3 SER 14 6.635 14.412 7.104
105 HB3 SER 14 HB2 SER 14 5.351 13.881 8.178
106 HG SER 14 HG SER 14 8.075 14.038 8.962
107 H TYR 15 H TYR 15 7.626 12.394 5.279
108 HA TYR 15 HA TYR 15 10.434 11.985 6.058
109 HB2 TYR 15 HB3 TYR 15 9.572 9.847 5.322
110 HB3 TYR 15 HB2 TYR 15 8.879 10.568 3.888
111 HD1 TYR 15 HD2 TYR 15 12.019 9.520 5.491
112 HD2 TYR 15 HD1 TYR 15 10.187 10.980 1.950
113 HE1 TYR 15 HE2 TYR 15 14.052 8.968 4.218
114 HE2 TYR 15 HE1 TYR 15 12.203 10.429 0.662
115 HH TYR 15 HH TYR 15 14.423 9.931 0.849
116 H ILE 16 H ILE 16 11.947 13.050 4.822
117 HA ILE 16 HA ILE 16 10.867 15.006 2.890
118 HB ILE 16 HB ILE 16 13.387 15.164 4.555
119 HG12 ILE 16 HG13 ILE 16 11.344 15.415 5.891
120 HG13 ILE 16 HG12 ILE 16 12.230 16.925 5.773
121 HG21 ILE 16 HG21 ILE 16 12.155 17.364 2.926
122 HG22 ILE 16 HG22 ILE 16 13.387 16.286 2.282
123 HG23 ILE 16 HG23 ILE 16 13.757 17.315 3.667
124 HD11 ILE 16 HD11 ILE 16 10.672 17.907 4.421
125 HD12 ILE 16 HD12 ILE 16 9.669 16.927 5.494
126 HD13 ILE 16 HD13 ILE 16 10.059 16.357 3.870
127 HA PRO 17 HA PRO 17 12.939 12.707 -0.288
128 HB2 PRO 17 HB2 PRO 17 13.014 15.298 -1.706
129 HB3 PRO 17 HB3 PRO 17 12.275 13.769 -2.187
130 HG2 PRO 17 HG3 PRO 17 10.810 15.876 -1.378
131 HG3 PRO 17 HG2 PRO 17 10.321 14.201 -1.063
132 HD2 PRO 17 HD3 PRO 17 11.481 16.219 0.790
133 HD3 PRO 17 HD2 PRO 17 10.323 14.926 1.113
134 H GLN 18 H GLN 18 14.998 12.216 -0.589
135 HA GLN 18 HA GLN 18 17.112 14.148 -0.014
136 HB2 GLN 18 HB3 GLN 18 17.466 11.368 -1.131
137 HB3 GLN 18 HB2 GLN 18 18.636 12.329 -0.243
138 HG2 GLN 18 HG3 GLN 18 17.423 12.032 1.791
139 HG3 GLN 18 HG2 GLN 18 16.100 11.232 0.942
140 HE21 GLN 18 HE22 GLN 18 16.462 9.162 0.044
141 HE22 GLN 18 HE21 GLN 18 17.705 8.134 0.674
142 H ASN 19 H ASN 19 15.625 12.444 -2.658
143 HA ASN 19 HA ASN 19 17.215 13.981 -4.612
144 HB2 ASN 19 HB3 ASN 19 16.051 11.193 -4.830
145 HB3 ASN 19 HB2 ASN 19 16.733 12.077 -6.187
146 HD21 ASN 19 HD22 ASN 19 18.895 13.239 -4.593
147 HD22 ASN 19 HD21 ASN 19 20.009 11.939 -4.318
148 H ASP 20 H ASP 20 16.002 14.290 -6.721
149 HA ASP 20 HA ASP 20 13.307 15.174 -6.162
150 HB2 ASP 20 HB3 ASP 20 13.275 16.079 -8.405
151 HB3 ASP 20 HB2 ASP 20 14.809 16.491 -7.653
152 H ASP 21 H ASP 21 14.726 12.294 -7.053
153 HA ASP 21 HA ASP 21 12.592 11.088 -8.503
154 HB2 ASP 21 HB3 ASP 21 14.644 9.859 -6.645
155 HB3 ASP 21 HB2 ASP 21 13.530 8.932 -7.638
156 H GLU 22 H GLU 22 13.234 11.804 -5.176
157 HA GLU 22 HA GLU 22 11.303 9.911 -4.165
158 HB2 GLU 22 HB3 GLU 22 13.268 11.787 -2.884
159 HB3 GLU 22 HB2 GLU 22 12.029 10.979 -1.932
160 HG2 GLU 22 HG3 GLU 22 12.876 8.821 -2.585
161 HG3 GLU 22 HG2 GLU 22 14.058 9.570 -3.655
162 H LEU 23 H LEU 23 9.785 10.576 -2.515
163 HA LEU 23 HA LEU 23 8.194 12.836 -3.516
164 HB2 LEU 23 HB3 LEU 23 7.341 10.470 -3.552
165 HB3 LEU 23 HB2 LEU 23 7.374 10.505 -1.803
166 HG LEU 23 HG LEU 23 5.657 12.192 -1.747
167 HD11 LEU 23 HD11 LEU 23 4.594 13.011 -3.803
168 HD12 LEU 23 HD12 LEU 23 5.777 12.129 -4.760
169 HD13 LEU 23 HD13 LEU 23 6.296 13.471 -3.740
170 HD21 LEU 23 HD21 LEU 23 3.900 10.872 -3.074
171 HD22 LEU 23 HD22 LEU 23 4.789 10.043 -1.788
172 HD23 LEU 23 HD23 LEU 23 5.257 9.809 -3.471
173 H GLU 24 H GLU 24 7.441 14.423 -2.071
174 HA GLU 24 HA GLU 24 8.647 14.427 0.559
175 HB2 GLU 24 HB3 GLU 24 8.019 16.503 -0.983
176 HB3 GLU 24 HB2 GLU 24 6.481 16.360 -0.138
177 HG2 GLU 24 HG3 GLU 24 7.871 16.348 2.012
178 HG3 GLU 24 HG2 GLU 24 9.192 16.911 0.998
179 H LEU 25 H LEU 25 7.772 13.453 2.240
180 HA LEU 25 HA LEU 25 5.090 12.317 1.848
181 HB2 LEU 25 HB3 LEU 25 6.990 10.780 1.565
182 HB3 LEU 25 HB2 LEU 25 7.554 11.179 3.165
183 HG LEU 25 HG LEU 25 6.381 8.954 2.835
184 HD11 LEU 25 HD11 LEU 25 5.146 9.183 5.003
185 HD12 LEU 25 HD12 LEU 25 5.595 10.885 4.961
186 HD13 LEU 25 HD13 LEU 25 6.845 9.651 5.017
187 HD21 LEU 25 HD21 LEU 25 3.856 9.204 3.155
188 HD22 LEU 25 HD22 LEU 25 4.520 9.456 1.537
189 HD23 LEU 25 HD23 LEU 25 4.094 10.841 2.536
190 H ARG 26 H ARG 26 3.639 12.503 3.487
191 HA ARG 26 HA ARG 26 4.568 13.888 5.915
192 HB2 ARG 26 HB3 ARG 26 2.802 14.992 4.490
193 HB3 ARG 26 HB2 ARG 26 1.727 13.677 4.926
194 HG2 ARG 26 HG3 ARG 26 1.274 15.544 6.342
195 HG3 ARG 26 HG2 ARG 26 2.036 14.278 7.308
196 HD2 ARG 26 HD3 ARG 26 4.233 15.481 6.808
197 HD3 ARG 26 HD2 ARG 26 3.228 16.825 6.275
198 HE ARG 26 HE ARG 26 2.265 16.248 8.751
199 HH11 ARG 26 HH11 ARG 26 5.429 17.007 7.467
200 HH12 ARG 26 HH12 ARG 26 6.036 17.662 8.954
201 HH21 ARG 26 HH22 ARG 26 3.026 17.135 10.715
202 HH22 ARG 26 HH21 ARG 26 4.656 17.731 10.819
203 H ASP 27 H ASP 27 3.732 13.186 7.969
204 HA ASP 27 HA ASP 27 3.504 10.417 8.338
205 HB2 ASP 27 HB3 ASP 27 2.583 10.960 10.591
206 HB3 ASP 27 HB2 ASP 27 4.087 11.784 10.218
207 H GLY 28 H GLY 28 1.844 9.033 8.427
208 HA2 GLY 28 HA3 GLY 28 -0.227 8.159 8.021
209 HA3 GLY 28 HA2 GLY 28 -0.898 9.694 8.536
210 H ASP 29 H ASP 29 1.330 9.503 5.896
211 HA ASP 29 HA ASP 29 -0.788 10.211 4.004
212 HB2 ASP 29 HB3 ASP 29 1.345 11.558 4.140
213 HB3 ASP 29 HB2 ASP 29 2.199 10.134 3.550
214 H ILE 30 H ILE 30 -1.007 9.022 2.014
215 HA ILE 30 HA ILE 30 -0.440 6.187 2.491
216 HB ILE 30 HB ILE 30 -2.537 7.527 0.780
217 HG12 ILE 30 HG13 ILE 30 -4.079 6.233 2.297
218 HG13 ILE 30 HG12 ILE 30 -2.681 5.851 3.288
219 HG21 ILE 30 HG21 ILE 30 -2.102 4.573 1.148
220 HG22 ILE 30 HG22 ILE 30 -1.634 5.486 -0.284
221 HG23 ILE 30 HG23 ILE 30 -3.336 5.353 0.158
222 HD11 ILE 30 HD11 ILE 30 -4.062 7.710 4.142
223 HD12 ILE 30 HD12 ILE 30 -3.627 8.640 2.707
224 HD13 ILE 30 HD13 ILE 30 -2.376 8.137 3.849
225 H VAL 31 H VAL 31 0.791 5.025 1.155
226 HA VAL 31 HA VAL 31 1.734 6.346 -1.297
227 HB VAL 31 HB VAL 31 3.579 6.001 0.171
228 HG11 VAL 31 HG11 VAL 31 2.749 3.114 0.327
229 HG12 VAL 31 HG12 VAL 31 2.641 4.303 1.621
230 HG13 VAL 31 HG13 VAL 31 4.218 3.796 1.022
231 HG21 VAL 31 HG21 VAL 31 5.025 4.543 -1.162
232 HG22 VAL 31 HG22 VAL 31 4.032 5.583 -2.183
233 HG23 VAL 31 HG23 VAL 31 3.606 3.885 -1.973
234 H ASP 32 H ASP 32 1.401 5.463 -3.147
235 HA ASP 32 HA ASP 32 0.527 2.664 -3.346
236 HB2 ASP 32 HB3 ASP 32 -0.332 5.038 -5.014
237 HB3 ASP 32 HB2 ASP 32 -0.740 3.366 -5.385
238 H VAL 33 H VAL 33 1.983 1.452 -4.411
239 HA VAL 33 HA VAL 33 4.299 2.790 -5.404
240 HB VAL 33 HB VAL 33 5.051 0.977 -4.325
241 HG11 VAL 33 HG11 VAL 33 2.562 -0.427 -5.198
242 HG12 VAL 33 HG12 VAL 33 3.106 0.020 -3.578
243 HG13 VAL 33 HG13 VAL 33 3.910 -1.285 -4.445
244 HG21 VAL 33 HG21 VAL 33 4.618 -0.108 -7.096
245 HG22 VAL 33 HG22 VAL 33 5.634 -0.885 -5.877
246 HG23 VAL 33 HG23 VAL 33 6.035 0.728 -6.464
247 H MET 34 H MET 34 4.680 3.444 -7.302
248 HA MET 34 HA MET 34 3.040 2.585 -9.542
249 HB2 MET 34 HB3 MET 34 5.019 4.843 -9.176
250 HB3 MET 34 HB2 MET 34 4.264 4.472 -10.727
251 HG2 MET 34 HG3 MET 34 2.835 5.213 -8.190
252 HG3 MET 34 HG2 MET 34 3.104 6.269 -9.576
253 HE1 MET 34 HE1 MET 34 -0.799 5.355 -9.513
254 HE2 MET 34 HE2 MET 34 0.368 6.662 -9.316
255 HE3 MET 34 HE3 MET 34 0.246 5.400 -8.093
256 H GLU 35 H GLU 35 6.329 2.443 -8.395
257 HA GLU 35 HA GLU 35 6.915 0.387 -10.379
258 HB2 GLU 35 HB3 GLU 35 7.676 2.688 -11.221
259 HB3 GLU 35 HB2 GLU 35 8.856 2.648 -9.920
260 HG2 GLU 35 HG3 GLU 35 9.844 0.643 -10.846
261 HG3 GLU 35 HG2 GLU 35 8.628 0.614 -12.123
262 H LYS 36 H LYS 36 8.537 -1.038 -9.685
263 HA LYS 36 HA LYS 36 8.963 -0.873 -6.771
264 HB2 LYS 36 HB3 LYS 36 8.815 -3.388 -8.422
265 HB3 LYS 36 HB2 LYS 36 8.849 -3.264 -6.674
266 HG2 LYS 36 HG3 LYS 36 6.643 -2.358 -6.629
267 HG3 LYS 36 HG2 LYS 36 6.614 -2.226 -8.391
268 HD2 LYS 36 HD3 LYS 36 6.955 -4.821 -6.908
269 HD3 LYS 36 HD2 LYS 36 5.397 -4.220 -7.477
270 HE2 LYS 36 HE3 LYS 36 6.134 -4.310 -9.756
271 HE3 LYS 36 HE2 LYS 36 7.784 -4.678 -9.263
272 HZ1 LYS 36 HZ1 LYS 36 7.054 -6.791 -8.414
273 HZ2 LYS 36 HZ2 LYS 36 6.572 -6.643 -10.028
274 HZ3 LYS 36 HZ3 LYS 36 5.437 -6.439 -8.788
275 H CYS 37 H CYS 37 11.033 -0.808 -6.079
276 HA CYS 37 HA CYS 37 13.211 -1.767 -7.702
277 HB2 CYS 37 HB3 CYS 37 13.116 -1.276 -4.709
278 HB3 CYS 37 HB2 CYS 37 14.567 -1.486 -5.678
279 HG CYS 37 HG CYS 37 13.218 0.931 -7.180
280 H ASP 38 H ASP 38 14.097 -3.793 -7.633
281 HA ASP 38 HA ASP 38 12.267 -5.860 -7.331
282 HB2 ASP 38 HB3 ASP 38 14.268 -5.889 -8.816
283 HB3 ASP 38 HB2 ASP 38 15.260 -6.175 -7.391
284 H ASP 39 H ASP 39 14.466 -4.530 -5.012
285 HA ASP 39 HA ASP 39 13.174 -6.020 -2.929
286 HB2 ASP 39 HB3 ASP 39 14.896 -7.645 -3.695
287 HB3 ASP 39 HB2 ASP 39 16.140 -6.454 -3.327
288 H GLY 40 H GLY 40 12.663 -3.775 -2.474
289 HA2 GLY 40 HA3 GLY 40 14.027 -2.800 -0.297
290 HA3 GLY 40 HA2 GLY 40 14.725 -1.970 -1.677
291 H TRP 41 H TRP 41 13.473 -0.481 -2.831
292 HA TRP 41 HA TRP 41 11.320 0.618 -1.153
293 HB2 TRP 41 HB3 TRP 41 12.540 2.390 -3.161
294 HB3 TRP 41 HB2 TRP 41 12.187 2.686 -1.462
295 HD1 TRP 41 HD1 TRP 41 15.015 2.282 -3.754
296 HE1 TRP 41 HE1 TRP 41 17.218 1.916 -2.471
297 HE3 TRP 41 HE3 TRP 41 13.102 1.253 0.877
298 HZ2 TRP 41 HZ2 TRP 41 18.030 1.274 0.148
299 HZ3 TRP 41 HZ3 TRP 41 14.663 0.769 2.712
300 HH2 TRP 41 HH2 TRP 41 17.075 0.778 2.355
301 H PHE 42 H PHE 42 9.605 1.812 -2.270
302 HA PHE 42 HA PHE 42 9.203 0.992 -5.056
303 HB2 PHE 42 HB3 PHE 42 6.873 1.349 -3.169
304 HB3 PHE 42 HB2 PHE 42 6.935 0.515 -4.707
305 HD1 PHE 42 HD1 PHE 42 8.799 -1.461 -4.674
306 HD2 PHE 42 HD2 PHE 42 6.592 -0.016 -1.343
307 HE1 PHE 42 HE1 PHE 42 9.114 -3.622 -3.539
308 HE2 PHE 42 HE2 PHE 42 6.909 -2.169 -0.190
309 HZ PHE 42 HZ PHE 42 8.173 -3.976 -1.288
310 H VAL 43 H VAL 43 7.562 2.462 -6.138
311 HA VAL 43 HA VAL 43 8.123 5.223 -5.398
312 HB VAL 43 HB VAL 43 6.424 4.304 -7.717
313 HG11 VAL 43 HG11 VAL 43 8.003 6.792 -7.151
314 HG12 VAL 43 HG12 VAL 43 6.270 6.626 -7.428
315 HG13 VAL 43 HG13 VAL 43 7.397 6.383 -8.756
316 HG21 VAL 43 HG21 VAL 43 8.570 4.482 -9.055
317 HG22 VAL 43 HG22 VAL 43 8.391 3.061 -8.030
318 HG23 VAL 43 HG23 VAL 43 9.408 4.395 -7.511
319 H GLY 44 H GLY 44 6.102 6.741 -5.582
320 HA2 GLY 44 HA3 GLY 44 3.628 5.533 -4.736
321 HA3 GLY 44 HA2 GLY 44 4.504 6.324 -3.435
322 H THR 45 H THR 45 1.920 7.005 -4.498
323 HA THR 45 HA THR 45 2.536 9.711 -5.489
324 HB THR 45 HB THR 45 -0.210 8.446 -5.467
325 HG1 THR 45 HG1 THR 45 1.861 7.537 -6.811
326 HG21 THR 45 HG21 THR 45 0.970 10.463 -7.373
327 HG22 THR 45 HG22 THR 45 0.176 10.928 -5.869
328 HG23 THR 45 HG23 THR 45 -0.729 10.071 -7.115
329 H SER 46 H SER 46 2.203 11.368 -4.091
330 HA SER 46 HA SER 46 1.357 10.740 -1.410
331 HB2 SER 46 HB3 SER 46 3.209 12.291 -1.755
332 HB3 SER 46 HB2 SER 46 2.162 13.375 -2.669
333 HG SER 46 HG SER 46 1.898 12.670 0.088
334 H ARG 47 H ARG 47 -0.538 11.114 -0.475
335 HA ARG 47 HA ARG 47 -2.773 11.961 -2.042
336 HB2 ARG 47 HB3 ARG 47 -2.361 11.003 0.758
337 HB3 ARG 47 HB2 ARG 47 -3.893 11.738 0.314
338 HG2 ARG 47 HG3 ARG 47 -3.937 9.284 0.180
339 HG3 ARG 47 HG2 ARG 47 -4.248 10.058 -1.371
340 HD2 ARG 47 HD3 ARG 47 -1.884 9.698 -1.980
341 HD3 ARG 47 HD2 ARG 47 -1.654 8.834 -0.470
342 HE ARG 47 HE ARG 47 -2.334 7.003 -1.617
343 HH11 ARG 47 HH11 ARG 47 -4.238 9.691 -2.862
344 HH12 ARG 47 HH12 ARG 47 -5.137 8.693 -3.962
345 HH21 ARG 47 HH22 ARG 47 -3.490 5.727 -3.066
346 HH22 ARG 47 HH21 ARG 47 -4.723 6.445 -4.067
347 H ARG 48 H ARG 48 -0.394 13.701 -0.759
348 HA ARG 48 HA ARG 48 -1.931 15.843 0.424
349 HB2 ARG 48 HB3 ARG 48 0.975 15.595 -0.332
350 HB3 ARG 48 HB2 ARG 48 0.288 16.983 0.500
351 HG2 ARG 48 HG3 ARG 48 -0.284 15.580 2.398
352 HG3 ARG 48 HG2 ARG 48 0.339 14.161 1.551
353 HD2 ARG 48 HD3 ARG 48 1.985 15.000 3.131
354 HD3 ARG 48 HD2 ARG 48 2.561 15.192 1.475
355 HE ARG 48 HE ARG 48 1.264 17.468 2.784
356 HH11 ARG 48 HH11 ARG 48 4.174 15.975 1.526
357 HH12 ARG 48 HH12 ARG 48 5.105 17.448 1.574
358 HH21 ARG 48 HH22 ARG 48 2.463 19.404 2.828
359 HH22 ARG 48 HH21 ARG 48 4.127 19.395 2.309
360 H THR 49 H THR 49 0.430 15.812 -2.242
361 HA THR 49 HA THR 49 -1.130 17.958 -3.505
362 HB THR 49 HB THR 49 1.080 18.646 -2.637
363 HG1 THR 49 HG1 THR 49 0.135 19.585 -4.595
364 HG21 THR 49 HG21 THR 49 2.222 16.769 -4.702
365 HG22 THR 49 HG22 THR 49 2.217 16.482 -2.962
366 HG23 THR 49 HG23 THR 49 3.126 17.839 -3.629
367 H LYS 50 H LYS 50 -0.988 14.871 -3.791
368 HA LYS 50 HA LYS 50 -1.154 13.279 -5.384
369 HB2 LYS 50 HB3 LYS 50 -2.114 15.656 -6.966
370 HB3 LYS 50 HB2 LYS 50 -2.390 13.971 -7.395
371 HG2 LYS 50 HG3 LYS 50 -3.288 15.169 -4.795
372 HG3 LYS 50 HG2 LYS 50 -4.284 15.115 -6.228
373 HD2 LYS 50 HD3 LYS 50 -3.014 12.632 -5.170
374 HD3 LYS 50 HD2 LYS 50 -4.519 13.239 -4.474
375 HE2 LYS 50 HE3 LYS 50 -5.495 13.252 -6.732
376 HE3 LYS 50 HE2 LYS 50 -4.022 12.508 -7.349
377 HZ1 LYS 50 HZ1 LYS 50 -4.442 10.538 -6.223
378 HZ2 LYS 50 HZ2 LYS 50 -5.978 10.993 -6.773
379 HZ3 LYS 50 HZ3 LYS 50 -5.546 11.253 -5.153
380 H GLN 51 H GLN 51 1.464 14.446 -5.217
381 HA GLN 51 HA GLN 51 2.379 14.280 -7.981
382 HB2 GLN 51 HB3 GLN 51 3.764 15.139 -5.445
383 HB3 GLN 51 HB2 GLN 51 4.636 14.850 -6.944
384 HG2 GLN 51 HG3 GLN 51 2.387 16.814 -6.631
385 HG3 GLN 51 HG2 GLN 51 4.096 17.226 -6.534
386 HE21 GLN 51 HE22 GLN 51 4.023 18.604 -8.269
387 HE22 GLN 51 HE21 GLN 51 3.838 18.047 -9.904
388 H PHE 52 H PHE 52 4.451 12.995 -8.285
389 HA PHE 52 HA PHE 52 4.006 10.377 -7.013
390 HB2 PHE 52 HB3 PHE 52 4.880 10.985 -9.852
391 HB3 PHE 52 HB2 PHE 52 4.773 9.374 -9.160
392 HD1 PHE 52 HD2 PHE 52 2.691 12.382 -9.869
393 HD2 PHE 52 HD1 PHE 52 2.836 8.158 -9.398
394 HE1 PHE 52 HE2 PHE 52 0.354 12.221 -10.616
395 HE2 PHE 52 HE1 PHE 52 0.502 7.990 -10.151
396 HZ PHE 52 HZ PHE 52 -0.744 10.022 -10.761
397 H GLY 53 H GLY 53 5.597 10.007 -5.649
398 HA2 GLY 53 HA3 GLY 53 8.364 10.373 -6.607
399 HA3 GLY 53 HA2 GLY 53 7.892 10.965 -5.019
400 H THR 54 H THR 54 9.904 8.983 -5.605
401 HA THR 54 HA THR 54 8.652 6.543 -4.553
402 HB THR 54 HB THR 54 9.987 6.258 -6.573
403 HG1 THR 54 HG1 THR 54 10.097 4.741 -4.571
404 HG21 THR 54 HG21 THR 54 12.480 6.545 -6.428
405 HG22 THR 54 HG22 THR 54 12.238 7.405 -4.907
406 HG23 THR 54 HG23 THR 54 11.569 8.055 -6.406
407 H PHE 55 H PHE 55 9.507 5.497 -2.699
408 HA PHE 55 HA PHE 55 11.742 6.531 -1.287
409 HB2 PHE 55 HB3 PHE 55 10.556 7.253 0.761
410 HB3 PHE 55 HB2 PHE 55 10.203 8.279 -0.618
411 HD1 PHE 55 HD1 PHE 55 7.962 8.205 -1.677
412 HD2 PHE 55 HD2 PHE 55 8.884 5.992 1.844
413 HE1 PHE 55 HE1 PHE 55 5.564 7.947 -1.211
414 HE2 PHE 55 HE2 PHE 55 6.485 5.725 2.308
415 HZ PHE 55 HZ PHE 55 4.821 6.706 0.781
416 HA PRO 56 HA PRO 56 12.134 2.598 0.512
417 HB2 PRO 56 HB2 PRO 56 11.524 3.607 3.248
418 HB3 PRO 56 HB3 PRO 56 12.895 2.650 2.679
419 HG2 PRO 56 HG3 PRO 56 13.162 5.253 3.183
420 HG3 PRO 56 HG2 PRO 56 13.999 4.490 1.819
421 HD2 PRO 56 HD3 PRO 56 11.612 6.268 1.825
422 HD3 PRO 56 HD2 PRO 56 12.898 6.102 0.612
423 H GLY 57 H GLY 57 10.847 0.881 0.554
424 HA2 GLY 57 HA3 GLY 57 8.021 1.219 1.158
425 HA3 GLY 57 HA2 GLY 57 8.769 -0.196 0.429
426 H ASN 58 H ASN 58 10.808 0.289 2.773
427 HA ASN 58 HA ASN 58 9.431 -1.485 4.656
428 HB2 ASN 58 HB3 ASN 58 11.671 -1.798 5.654
429 HB3 ASN 58 HB2 ASN 58 11.693 -2.143 3.927
430 HD21 ASN 58 HD22 ASN 58 13.844 -1.321 5.795
431 HD22 ASN 58 HD21 ASN 58 14.540 0.102 5.086
432 H TYR 59 H TYR 59 9.029 1.468 4.247
433 HA TYR 59 HA TYR 59 9.727 2.421 6.941
434 HB2 TYR 59 HB3 TYR 59 11.097 3.650 5.500
435 HB3 TYR 59 HB2 TYR 59 9.892 3.686 4.222
436 HD1 TYR 59 HD1 TYR 59 8.115 5.306 4.242
437 HD2 TYR 59 HD2 TYR 59 11.090 5.292 7.272
438 HE1 TYR 59 HE1 TYR 59 7.444 7.591 4.902
439 HE2 TYR 59 HE2 TYR 59 10.429 7.559 7.946
440 HH TYR 59 HH TYR 59 7.567 9.037 6.876
441 H VAL 60 H VAL 60 7.344 1.456 4.932
442 HA VAL 60 HA VAL 60 5.333 3.212 6.154
443 HB VAL 60 HB VAL 60 5.741 3.683 3.730
444 HG11 VAL 60 HG11 VAL 60 4.711 2.043 2.115
445 HG12 VAL 60 HG12 VAL 60 4.801 0.864 3.422
446 HG13 VAL 60 HG13 VAL 60 6.275 1.602 2.800
447 HG21 VAL 60 HG21 VAL 60 3.298 3.529 3.093
448 HG22 VAL 60 HG22 VAL 60 3.707 4.409 4.568
449 HG23 VAL 60 HG23 VAL 60 3.070 2.773 4.671
450 H LYS 61 H LYS 61 3.220 2.175 6.466
451 HA LYS 61 HA LYS 61 3.438 -0.755 6.651
452 HB2 LYS 61 HB3 LYS 61 2.377 -0.761 8.784
453 HB3 LYS 61 HB2 LYS 61 3.685 0.409 8.874
454 HG2 LYS 61 HG3 LYS 61 2.193 2.231 8.798
455 HG3 LYS 61 HG2 LYS 61 0.847 1.200 8.312
456 HD2 LYS 61 HD3 LYS 61 2.278 0.972 10.945
457 HD3 LYS 61 HD2 LYS 61 0.793 1.891 10.708
458 HE2 LYS 61 HE3 LYS 61 1.063 -1.028 10.039
459 HE3 LYS 61 HE2 LYS 61 0.517 -0.450 11.615
460 HZ1 LYS 61 HZ1 LYS 61 -0.800 0.221 9.035
461 HZ2 LYS 61 HZ2 LYS 61 -1.349 0.614 10.589
462 HZ3 LYS 61 HZ3 LYS 61 -1.318 -1.004 10.083
463 HA PRO 62 HA PRO 62 -0.445 -1.277 4.610
464 HB2 PRO 62 HB2 PRO 62 -1.773 -2.846 6.494
465 HB3 PRO 62 HB3 PRO 62 -0.689 -3.453 5.239
466 HG2 PRO 62 HG3 PRO 62 -0.100 -2.838 8.108
467 HG3 PRO 62 HG2 PRO 62 0.443 -4.211 7.128
468 HD2 PRO 62 HD3 PRO 62 2.083 -2.203 7.635
469 HD3 PRO 62 HD2 PRO 62 2.035 -2.912 6.004
470 H LEU 63 H LEU 63 -2.537 -0.485 4.584
471 HA LEU 63 HA LEU 63 -3.067 1.780 6.133
472 HB2 LEU 63 HB3 LEU 63 -4.830 0.118 4.357
473 HB3 LEU 63 HB2 LEU 63 -5.366 1.610 5.105
474 HG LEU 63 HG LEU 63 -3.104 1.320 3.129
475 HD11 LEU 63 HD11 LEU 63 -5.321 1.120 2.128
476 HD12 LEU 63 HD12 LEU 63 -4.558 2.643 1.673
477 HD13 LEU 63 HD13 LEU 63 -5.821 2.622 2.907
478 HD21 LEU 63 HD21 LEU 63 -4.188 3.755 4.521
479 HD22 LEU 63 HD22 LEU 63 -2.991 3.755 3.222
480 HD23 LEU 63 HD23 LEU 63 -2.609 3.007 4.777
481 H TYR 64 H TYR 64 -5.014 2.182 7.381
482 HA TYR 64 HA TYR 64 -5.065 0.513 9.642
483 HB2 TYR 64 HB3 TYR 64 -6.910 2.127 10.355
484 HB3 TYR 64 HB2 TYR 64 -5.311 2.799 10.076
485 HD1 TYR 64 HD1 TYR 64 -4.872 3.926 7.875
486 HD2 TYR 64 HD2 TYR 64 -8.790 2.941 9.182
487 HE1 TYR 64 HE1 TYR 64 -5.804 5.562 6.281
488 HE2 TYR 64 HE2 TYR 64 -9.737 4.561 7.594
489 HH TYR 64 HH TYR 64 -7.922 5.964 5.097
Start of MODEL 11
1 H1 GLN 1 H1 GLN 1 -6.773 -3.784 -5.471
2 H2 GLN 1 H2 GLN 1 -6.215 -2.191 -5.345
3 H3 GLN 1 H3 GLN 1 -6.923 -2.731 -6.785
4 HA GLN 1 HA GLN 1 -8.351 -2.600 -4.207
5 HB2 GLN 1 HB3 GLN 1 -7.808 -0.342 -4.787
6 HB3 GLN 1 HB2 GLN 1 -8.213 -0.613 -6.476
7 HG2 GLN 1 HG3 GLN 1 -10.547 -0.834 -5.926
8 HG3 GLN 1 HG2 GLN 1 -10.186 -0.706 -4.207
9 HE21 GLN 1 HE22 GLN 1 -11.603 1.040 -4.067
10 HE22 GLN 1 HE21 GLN 1 -11.159 2.622 -4.633
11 H THR 2 H THR 2 -9.065 -2.108 -7.667
12 HA THR 2 HA THR 2 -11.439 -3.722 -7.459
13 HB THR 2 HB THR 2 -11.309 -3.324 -10.070
14 HG1 THR 2 HG1 THR 2 -9.738 -2.035 -10.672
15 HG21 THR 2 HG21 THR 2 -11.825 -1.066 -8.123
16 HG22 THR 2 HG22 THR 2 -12.977 -2.332 -8.560
17 HG23 THR 2 HG23 THR 2 -12.435 -1.174 -9.777
18 H SER 3 H SER 3 -8.468 -3.871 -9.395
19 HA SER 3 HA SER 3 -8.751 -6.700 -9.851
20 HB2 SER 3 HB3 SER 3 -6.359 -6.365 -10.766
21 HB3 SER 3 HB2 SER 3 -7.669 -5.535 -11.607
22 HG SER 3 HG SER 3 -5.906 -4.411 -9.660
23 H GLN 4 H GLN 4 -6.913 -8.181 -9.178
24 HA GLN 4 HA GLN 4 -6.360 -7.680 -6.375
25 HB2 GLN 4 HB3 GLN 4 -7.376 -9.822 -7.026
26 HB3 GLN 4 HB2 GLN 4 -5.984 -10.163 -8.049
27 HG2 GLN 4 HG3 GLN 4 -4.551 -10.091 -6.092
28 HG3 GLN 4 HG2 GLN 4 -5.957 -9.821 -5.068
29 HE21 GLN 4 HE22 GLN 4 -7.632 -11.604 -6.674
30 HE22 GLN 4 HE21 GLN 4 -7.154 -13.213 -6.256
31 H ASP 5 H ASP 5 -4.840 -6.073 -6.770
32 HA ASP 5 HA ASP 5 -2.225 -7.008 -7.739
33 HB2 ASP 5 HB3 ASP 5 -1.814 -4.717 -8.576
34 HB3 ASP 5 HB2 ASP 5 -3.160 -5.501 -9.392
35 H LEU 6 H LEU 6 -1.068 -4.424 -7.049
36 HA LEU 6 HA LEU 6 -0.213 -4.946 -4.450
37 HB2 LEU 6 HB3 LEU 6 -0.094 -2.449 -6.129
38 HB3 LEU 6 HB2 LEU 6 0.667 -2.595 -4.560
39 HG LEU 6 HG LEU 6 1.313 -4.522 -6.760
40 HD11 LEU 6 HD11 LEU 6 3.356 -2.873 -6.951
41 HD12 LEU 6 HD12 LEU 6 2.158 -1.699 -6.390
42 HD13 LEU 6 HD13 LEU 6 1.881 -2.603 -7.880
43 HD21 LEU 6 HD21 LEU 6 2.998 -3.486 -4.494
44 HD22 LEU 6 HD22 LEU 6 3.276 -4.909 -5.497
45 HD23 LEU 6 HD23 LEU 6 1.946 -4.890 -4.335
46 H PHE 7 H PHE 7 -0.249 -2.901 -2.900
47 HA PHE 7 HA PHE 7 -2.985 -1.993 -2.514
48 HB2 PHE 7 HB3 PHE 7 -2.659 -2.658 -0.013
49 HB3 PHE 7 HB2 PHE 7 -3.188 -3.868 -1.170
50 HD1 PHE 7 HD1 PHE 7 -0.189 -2.576 0.582
51 HD2 PHE 7 HD2 PHE 7 -1.986 -5.845 -1.459
52 HE1 PHE 7 HE1 PHE 7 1.687 -4.021 1.254
53 HE2 PHE 7 HE2 PHE 7 -0.114 -7.297 -0.795
54 HZ PHE 7 HZ PHE 7 1.726 -6.386 0.566
55 H SER 8 H SER 8 -3.159 -0.404 -0.789
56 HA SER 8 HA SER 8 -1.029 1.526 -1.062
57 HB2 SER 8 HB3 SER 8 -3.620 1.820 0.429
58 HB3 SER 8 HB2 SER 8 -2.600 3.101 -0.210
59 HG SER 8 HG SER 8 -3.040 2.093 -2.341
60 H TYR 9 H TYR 9 0.060 2.515 0.629
61 HA TYR 9 HA TYR 9 -0.017 1.059 3.197
62 HB2 TYR 9 HB3 TYR 9 2.411 2.485 2.061
63 HB3 TYR 9 HB2 TYR 9 2.331 1.523 3.518
64 HD1 TYR 9 HD2 TYR 9 1.936 1.224 -0.187
65 HD2 TYR 9 HD1 TYR 9 2.914 -0.661 3.482
66 HE1 TYR 9 HE2 TYR 9 2.674 -0.773 -1.425
67 HE2 TYR 9 HE1 TYR 9 3.658 -2.674 2.268
68 HH TYR 9 HH TYR 9 3.279 -3.755 0.101
69 H GLN 10 H GLN 10 0.231 2.308 5.092
70 HA GLN 10 HA GLN 10 -0.198 5.211 4.720
71 HB2 GLN 10 HB3 GLN 10 -1.960 3.809 5.962
72 HB3 GLN 10 HB2 GLN 10 -0.768 3.652 7.244
73 HG2 GLN 10 HG3 GLN 10 -0.745 6.070 7.559
74 HG3 GLN 10 HG2 GLN 10 -1.871 6.259 6.210
75 HE21 GLN 10 HE22 GLN 10 -2.148 7.005 9.035
76 HE22 GLN 10 HE21 GLN 10 -3.569 6.198 9.604
77 H ALA 11 H ALA 11 1.341 6.551 5.472
78 HA ALA 11 HA ALA 11 3.818 5.342 6.273
79 HB1 ALA 11 HB1 ALA 11 4.815 7.407 5.858
80 HB2 ALA 11 HB2 ALA 11 3.308 8.279 6.101
81 HB3 ALA 11 HB3 ALA 11 3.522 7.283 4.662
82 H LEU 12 H LEU 12 4.895 5.539 8.140
83 HA LEU 12 HA LEU 12 3.312 5.700 10.498
84 HB2 LEU 12 HB3 LEU 12 6.314 5.610 10.281
85 HB3 LEU 12 HB2 LEU 12 5.334 5.098 11.641
86 HG LEU 12 HG LEU 12 5.099 3.767 8.959
87 HD11 LEU 12 HD11 LEU 12 7.025 3.115 11.179
88 HD12 LEU 12 HD12 LEU 12 7.418 3.616 9.533
89 HD13 LEU 12 HD13 LEU 12 6.655 2.052 9.822
90 HD21 LEU 12 HD21 LEU 12 4.436 2.948 11.781
91 HD22 LEU 12 HD22 LEU 12 4.370 1.869 10.388
92 HD23 LEU 12 HD23 LEU 12 3.307 3.266 10.465
93 H TYR 13 H TYR 13 5.663 7.797 8.951
94 HA TYR 13 HA TYR 13 4.700 10.030 10.465
95 HB2 TYR 13 HB3 TYR 13 6.909 10.796 11.244
96 HB3 TYR 13 HB2 TYR 13 6.403 9.304 12.017
97 HD1 TYR 13 HD1 TYR 13 7.538 7.166 11.415
98 HD2 TYR 13 HD2 TYR 13 8.887 10.921 9.944
99 HE1 TYR 13 HE1 TYR 13 9.721 6.166 10.877
100 HE2 TYR 13 HE2 TYR 13 11.066 9.933 9.395
101 HH TYR 13 HH TYR 13 11.623 6.565 9.407
102 H SER 14 H SER 14 6.327 12.003 9.730
103 HA SER 14 HA SER 14 5.873 11.995 6.865
104 HB2 SER 14 HB3 SER 14 6.325 14.442 7.061
105 HB3 SER 14 HB2 SER 14 5.028 13.881 8.103
106 HG SER 14 HG SER 14 7.428 13.747 9.366
107 H TYR 15 H TYR 15 7.379 12.287 5.297
108 HA TYR 15 HA TYR 15 10.210 12.087 6.092
109 HB2 TYR 15 HB3 TYR 15 9.503 9.901 5.378
110 HB3 TYR 15 HB2 TYR 15 8.714 10.555 3.964
111 HD1 TYR 15 HD2 TYR 15 11.966 9.672 5.442
112 HD2 TYR 15 HD1 TYR 15 9.936 11.100 1.997
113 HE1 TYR 15 HE2 TYR 15 13.972 9.237 4.084
114 HE2 TYR 15 HE1 TYR 15 11.925 10.660 0.621
115 HH TYR 15 HH TYR 15 14.211 10.284 0.749
116 H ILE 16 H ILE 16 11.631 13.268 4.912
117 HA ILE 16 HA ILE 16 10.463 15.066 2.892
118 HB ILE 16 HB ILE 16 12.919 15.515 4.596
119 HG12 ILE 16 HG13 ILE 16 10.822 15.557 5.903
120 HG13 ILE 16 HG12 ILE 16 11.569 17.141 5.793
121 HG21 ILE 16 HG21 ILE 16 11.444 17.480 2.863
122 HG22 ILE 16 HG22 ILE 16 12.868 16.590 2.335
123 HG23 ILE 16 HG23 ILE 16 12.988 17.717 3.689
124 HD11 ILE 16 HD11 ILE 16 9.947 17.976 4.427
125 HD12 ILE 16 HD12 ILE 16 9.020 16.886 5.460
126 HD13 ILE 16 HD13 ILE 16 9.502 16.381 3.843
127 HA PRO 17 HA PRO 17 12.695 12.855 -0.189
128 HB2 PRO 17 HB2 PRO 17 12.852 15.483 -1.551
129 HB3 PRO 17 HB3 PRO 17 12.189 13.949 -2.125
130 HG2 PRO 17 HG3 PRO 17 10.613 15.992 -1.375
131 HG3 PRO 17 HG2 PRO 17 10.154 14.299 -1.122
132 HD2 PRO 17 HD3 PRO 17 11.102 16.317 0.840
133 HD3 PRO 17 HD2 PRO 17 9.997 14.956 1.065
134 H GLN 18 H GLN 18 14.751 12.334 -0.387
135 HA GLN 18 HA GLN 18 16.832 14.252 0.355
136 HB2 GLN 18 HB3 GLN 18 17.103 11.350 -0.445
137 HB3 GLN 18 HB2 GLN 18 18.336 12.349 0.312
138 HG2 GLN 18 HG3 GLN 18 16.934 12.539 2.309
139 HG3 GLN 18 HG2 GLN 18 15.732 11.496 1.552
140 HE21 GLN 18 HE22 GLN 18 17.244 11.133 4.018
141 HE22 GLN 18 HE21 GLN 18 18.090 9.636 3.845
142 H ASN 19 H ASN 19 15.604 12.421 -2.346
143 HA ASN 19 HA ASN 19 17.275 14.035 -4.167
144 HB2 ASN 19 HB3 ASN 19 16.099 11.274 -4.468
145 HB3 ASN 19 HB2 ASN 19 16.583 12.220 -5.871
146 HD21 ASN 19 HD22 ASN 19 18.744 12.613 -6.248
147 HD22 ASN 19 HD21 ASN 19 20.002 11.730 -5.441
148 H ASP 20 H ASP 20 16.189 14.673 -6.193
149 HA ASP 20 HA ASP 20 13.614 15.793 -5.613
150 HB2 ASP 20 HB3 ASP 20 13.769 16.848 -7.794
151 HB3 ASP 20 HB2 ASP 20 15.307 17.003 -6.954
152 H ASP 21 H ASP 21 14.696 12.897 -6.975
153 HA ASP 21 HA ASP 21 12.332 12.350 -8.534
154 HB2 ASP 21 HB3 ASP 21 14.720 11.414 -8.897
155 HB3 ASP 21 HB2 ASP 21 14.321 10.298 -7.592
156 H GLU 22 H GLU 22 13.192 12.320 -5.299
157 HA GLU 22 HA GLU 22 11.447 10.169 -4.478
158 HB2 GLU 22 HB3 GLU 22 13.232 12.101 -3.036
159 HB3 GLU 22 HB2 GLU 22 12.057 11.134 -2.154
160 HG2 GLU 22 HG3 GLU 22 13.080 9.101 -2.913
161 HG3 GLU 22 HG2 GLU 22 14.188 9.993 -3.953
162 H LEU 23 H LEU 23 10.002 10.775 -2.516
163 HA LEU 23 HA LEU 23 8.160 12.835 -3.542
164 HB2 LEU 23 HB3 LEU 23 7.496 10.430 -3.690
165 HB3 LEU 23 HB2 LEU 23 7.543 10.364 -1.942
166 HG LEU 23 HG LEU 23 5.696 11.899 -1.774
167 HD11 LEU 23 HD11 LEU 23 4.564 12.777 -3.755
168 HD12 LEU 23 HD12 LEU 23 5.790 12.041 -4.785
169 HD13 LEU 23 HD13 LEU 23 6.233 13.339 -3.679
170 HD21 LEU 23 HD21 LEU 23 4.005 10.552 -3.092
171 HD22 LEU 23 HD22 LEU 23 5.047 9.654 -1.982
172 HD23 LEU 23 HD23 LEU 23 5.397 9.656 -3.708
173 H GLU 24 H GLU 24 7.297 14.333 -2.108
174 HA GLU 24 HA GLU 24 8.381 14.417 0.566
175 HB2 GLU 24 HB3 GLU 24 7.617 16.420 -1.016
176 HB3 GLU 24 HB2 GLU 24 6.074 16.142 -0.217
177 HG2 GLU 24 HG3 GLU 24 7.467 16.241 1.966
178 HG3 GLU 24 HG2 GLU 24 8.673 17.026 0.953
179 H LEU 25 H LEU 25 7.545 13.364 2.212
180 HA LEU 25 HA LEU 25 4.915 12.108 1.809
181 HB2 LEU 25 HB3 LEU 25 6.878 10.630 1.588
182 HB3 LEU 25 HB2 LEU 25 7.380 11.065 3.202
183 HG LEU 25 HG LEU 25 6.250 8.806 2.835
184 HD11 LEU 25 HD11 LEU 25 5.020 9.023 5.008
185 HD12 LEU 25 HD12 LEU 25 5.455 10.727 4.967
186 HD13 LEU 25 HD13 LEU 25 6.715 9.504 5.013
187 HD21 LEU 25 HD21 LEU 25 3.713 9.051 3.163
188 HD22 LEU 25 HD22 LEU 25 4.377 9.287 1.542
189 HD23 LEU 25 HD23 LEU 25 3.953 10.681 2.528
190 H ARG 26 H ARG 26 3.442 12.223 3.441
191 HA ARG 26 HA ARG 26 4.238 13.795 5.797
192 HB2 ARG 26 HB3 ARG 26 2.426 14.677 4.269
193 HB3 ARG 26 HB2 ARG 26 1.432 13.331 4.798
194 HG2 ARG 26 HG3 ARG 26 0.845 15.262 6.066
195 HG3 ARG 26 HG2 ARG 26 1.683 14.130 7.127
196 HD2 ARG 26 HD3 ARG 26 3.797 15.435 6.554
197 HD3 ARG 26 HD2 ARG 26 2.714 16.659 5.899
198 HE ARG 26 HE ARG 26 1.871 16.041 8.491
199 HH11 ARG 26 HH11 ARG 26 4.540 17.598 6.846
200 HH12 ARG 26 HH12 ARG 26 4.993 18.561 8.227
201 HH21 ARG 26 HH22 ARG 26 2.446 17.304 10.300
202 HH22 ARG 26 HH21 ARG 26 3.788 18.406 10.187
203 H ASP 27 H ASP 27 3.426 13.187 7.861
204 HA ASP 27 HA ASP 27 3.367 10.423 8.390
205 HB2 ASP 27 HB3 ASP 27 2.534 11.120 10.664
206 HB3 ASP 27 HB2 ASP 27 4.040 11.861 10.149
207 H GLY 28 H GLY 28 1.810 8.988 8.580
208 HA2 GLY 28 HA3 GLY 28 -0.218 7.976 8.280
209 HA3 GLY 28 HA2 GLY 28 -0.954 9.449 8.869
210 H ASP 29 H ASP 29 1.089 9.268 6.051
211 HA ASP 29 HA ASP 29 -1.166 10.056 4.359
212 HB2 ASP 29 HB3 ASP 29 1.055 11.328 4.439
213 HB3 ASP 29 HB2 ASP 29 1.749 9.952 3.587
214 H ILE 30 H ILE 30 -1.784 8.821 2.539
215 HA ILE 30 HA ILE 30 -0.851 6.046 2.719
216 HB ILE 30 HB ILE 30 -3.344 7.155 1.409
217 HG12 ILE 30 HG13 ILE 30 -4.473 5.717 3.145
218 HG13 ILE 30 HG12 ILE 30 -2.908 5.508 3.909
219 HG21 ILE 30 HG21 ILE 30 -2.612 4.259 1.747
220 HG22 ILE 30 HG22 ILE 30 -2.302 5.166 0.271
221 HG23 ILE 30 HG23 ILE 30 -3.956 4.944 0.833
222 HD11 ILE 30 HD11 ILE 30 -4.324 7.203 4.990
223 HD12 ILE 30 HD12 ILE 30 -4.268 8.155 3.504
224 HD13 ILE 30 HD13 ILE 30 -2.783 7.837 4.408
225 H VAL 31 H VAL 31 0.293 5.130 1.151
226 HA VAL 31 HA VAL 31 0.666 6.687 -1.317
227 HB VAL 31 HB VAL 31 2.626 6.853 0.095
228 HG11 VAL 31 HG11 VAL 31 2.715 3.843 -0.021
229 HG12 VAL 31 HG12 VAL 31 2.372 4.828 1.401
230 HG13 VAL 31 HG13 VAL 31 3.973 4.877 0.661
231 HG21 VAL 31 HG21 VAL 31 3.091 5.065 -2.282
232 HG22 VAL 31 HG22 VAL 31 4.323 6.027 -1.469
233 HG23 VAL 31 HG23 VAL 31 2.990 6.824 -2.300
234 H ASP 32 H ASP 32 0.776 5.653 -3.213
235 HA ASP 32 HA ASP 32 0.379 2.739 -3.275
236 HB2 ASP 32 HB3 ASP 32 -0.565 4.915 -5.139
237 HB3 ASP 32 HB2 ASP 32 -0.466 3.238 -5.660
238 H VAL 33 H VAL 33 1.994 1.608 -4.118
239 HA VAL 33 HA VAL 33 4.263 2.951 -5.219
240 HB VAL 33 HB VAL 33 5.145 1.226 -4.128
241 HG11 VAL 33 HG11 VAL 33 2.560 -0.183 -4.576
242 HG12 VAL 33 HG12 VAL 33 3.308 0.387 -3.080
243 HG13 VAL 33 HG13 VAL 33 3.968 -1.017 -3.913
244 HG21 VAL 33 HG21 VAL 33 4.428 -0.111 -6.724
245 HG22 VAL 33 HG22 VAL 33 5.517 -0.820 -5.528
246 HG23 VAL 33 HG23 VAL 33 5.929 0.714 -6.294
247 H MET 34 H MET 34 4.654 3.445 -7.161
248 HA MET 34 HA MET 34 2.949 2.574 -9.320
249 HB2 MET 34 HB3 MET 34 5.222 4.559 -9.136
250 HB3 MET 34 HB2 MET 34 4.461 4.138 -10.672
251 HG2 MET 34 HG3 MET 34 3.105 5.350 -8.275
252 HG3 MET 34 HG2 MET 34 3.511 6.173 -9.781
253 HE1 MET 34 HE1 MET 34 0.585 6.181 -8.466
254 HE2 MET 34 HE2 MET 34 -0.412 5.943 -9.901
255 HE3 MET 34 HE3 MET 34 0.983 7.019 -9.968
256 H GLU 35 H GLU 35 6.276 2.158 -8.260
257 HA GLU 35 HA GLU 35 6.429 -0.259 -9.869
258 HB2 GLU 35 HB3 GLU 35 7.347 1.628 -11.282
259 HB3 GLU 35 HB2 GLU 35 8.623 1.802 -10.082
260 HG2 GLU 35 HG3 GLU 35 9.347 -0.472 -10.494
261 HG3 GLU 35 HG2 GLU 35 8.040 -0.697 -11.650
262 H LYS 36 H LYS 36 7.727 -1.795 -8.975
263 HA LYS 36 HA LYS 36 8.725 -1.150 -6.296
264 HB2 LYS 36 HB3 LYS 36 8.238 -3.874 -7.495
265 HB3 LYS 36 HB2 LYS 36 8.636 -3.520 -5.827
266 HG2 LYS 36 HG3 LYS 36 6.500 -2.409 -5.533
267 HG3 LYS 36 HG2 LYS 36 6.100 -2.719 -7.228
268 HD2 LYS 36 HD3 LYS 36 6.789 -4.882 -5.263
269 HD3 LYS 36 HD2 LYS 36 5.132 -4.364 -5.581
270 HE2 LYS 36 HE3 LYS 36 5.290 -5.057 -7.859
271 HE3 LYS 36 HE2 LYS 36 7.026 -5.328 -7.716
272 HZ1 LYS 36 HZ1 LYS 36 6.581 -7.127 -6.162
273 HZ2 LYS 36 HZ2 LYS 36 5.810 -7.409 -7.648
274 HZ3 LYS 36 HZ3 LYS 36 4.910 -6.876 -6.311
275 H CYS 37 H CYS 37 10.834 -1.139 -5.867
276 HA CYS 37 HA CYS 37 12.691 -2.293 -7.811
277 HB2 CYS 37 HB3 CYS 37 13.320 -0.718 -5.295
278 HB3 CYS 37 HB2 CYS 37 14.419 -1.104 -6.622
279 HG CYS 37 HG CYS 37 12.610 0.390 -8.446
280 H ASP 38 H ASP 38 13.852 -4.055 -7.410
281 HA ASP 38 HA ASP 38 12.967 -5.964 -5.602
282 HB2 ASP 38 HB3 ASP 38 15.108 -7.145 -6.141
283 HB3 ASP 38 HB2 ASP 38 14.135 -6.704 -7.533
284 H ASP 39 H ASP 39 15.456 -3.570 -5.289
285 HA ASP 39 HA ASP 39 16.835 -4.538 -3.088
286 HB2 ASP 39 HB3 ASP 39 17.516 -2.539 -4.388
287 HB3 ASP 39 HB2 ASP 39 16.204 -1.635 -3.633
288 H GLY 40 H GLY 40 13.966 -2.396 -3.082
289 HA2 GLY 40 HA3 GLY 40 12.543 -3.466 -1.093
290 HA3 GLY 40 HA2 GLY 40 13.811 -2.659 -0.192
291 H TRP 41 H TRP 41 13.471 -0.644 -2.737
292 HA TRP 41 HA TRP 41 11.420 0.858 -1.274
293 HB2 TRP 41 HB3 TRP 41 12.424 2.882 -2.524
294 HB3 TRP 41 HB2 TRP 41 13.288 2.218 -1.149
295 HD1 TRP 41 HD1 TRP 41 13.542 0.761 -4.714
296 HE1 TRP 41 HE1 TRP 41 15.978 1.019 -5.509
297 HE3 TRP 41 HE3 TRP 41 15.379 3.496 -0.810
298 HZ2 TRP 41 HZ2 TRP 41 18.357 2.223 -4.601
299 HZ3 TRP 41 HZ3 TRP 41 17.747 4.166 -0.852
300 HH2 TRP 41 HH2 TRP 41 19.203 3.544 -2.709
301 H PHE 42 H PHE 42 9.842 2.041 -2.423
302 HA PHE 42 HA PHE 42 9.388 1.002 -5.138
303 HB2 PHE 42 HB3 PHE 42 7.145 1.620 -3.198
304 HB3 PHE 42 HB2 PHE 42 7.070 0.717 -4.696
305 HD1 PHE 42 HD1 PHE 42 9.017 -1.306 -4.573
306 HD2 PHE 42 HD2 PHE 42 6.701 0.296 -1.386
307 HE1 PHE 42 HE1 PHE 42 9.275 -3.417 -3.333
308 HE2 PHE 42 HE2 PHE 42 6.961 -1.808 -0.136
309 HZ PHE 42 HZ PHE 42 8.248 -3.668 -1.109
310 H VAL 43 H VAL 43 7.767 2.409 -6.343
311 HA VAL 43 HA VAL 43 8.360 5.226 -5.861
312 HB VAL 43 HB VAL 43 6.540 4.194 -8.025
313 HG11 VAL 43 HG11 VAL 43 8.377 6.572 -7.838
314 HG12 VAL 43 HG12 VAL 43 6.615 6.577 -7.799
315 HG13 VAL 43 HG13 VAL 43 7.457 6.119 -9.273
316 HG21 VAL 43 HG21 VAL 43 8.632 4.138 -9.470
317 HG22 VAL 43 HG22 VAL 43 8.391 2.801 -8.348
318 HG23 VAL 43 HG23 VAL 43 9.525 4.083 -7.952
319 H GLY 44 H GLY 44 6.357 6.738 -5.993
320 HA2 GLY 44 HA3 GLY 44 3.980 5.567 -4.836
321 HA3 GLY 44 HA2 GLY 44 4.987 6.427 -3.688
322 H THR 45 H THR 45 2.295 7.009 -4.452
323 HA THR 45 HA THR 45 2.744 9.754 -5.426
324 HB THR 45 HB THR 45 0.092 8.302 -5.537
325 HG1 THR 45 HG1 THR 45 2.320 7.910 -7.055
326 HG21 THR 45 HG21 THR 45 1.066 10.517 -7.314
327 HG22 THR 45 HG22 THR 45 0.374 10.855 -5.733
328 HG23 THR 45 HG23 THR 45 -0.592 10.032 -6.953
329 H SER 46 H SER 46 2.292 11.319 -3.952
330 HA SER 46 HA SER 46 1.317 10.508 -1.343
331 HB2 SER 46 HB3 SER 46 3.243 12.019 -1.461
332 HB3 SER 46 HB2 SER 46 2.273 13.209 -2.324
333 HG SER 46 HG SER 46 1.649 12.230 0.283
334 H ARG 47 H ARG 47 -0.514 11.148 -0.366
335 HA ARG 47 HA ARG 47 -2.769 11.696 -1.995
336 HB2 ARG 47 HB3 ARG 47 -2.597 11.917 1.003
337 HB3 ARG 47 HB2 ARG 47 -4.037 11.639 0.033
338 HG2 ARG 47 HG3 ARG 47 -2.309 9.577 -0.649
339 HG3 ARG 47 HG2 ARG 47 -2.164 9.753 1.103
340 HD2 ARG 47 HD3 ARG 47 -4.707 9.463 -0.452
341 HD3 ARG 47 HD2 ARG 47 -3.945 8.205 0.512
342 HE ARG 47 HE ARG 47 -4.282 10.095 2.353
343 HH11 ARG 47 HH11 ARG 47 -6.491 8.887 -0.080
344 HH12 ARG 47 HH12 ARG 47 -7.916 9.228 0.848
345 HH21 ARG 47 HH22 ARG 47 -6.155 10.533 3.604
346 HH22 ARG 47 HH21 ARG 47 -7.731 10.187 2.939
347 H ARG 48 H ARG 48 -0.470 13.696 -0.556
348 HA ARG 48 HA ARG 48 -2.186 15.899 0.122
349 HB2 ARG 48 HB3 ARG 48 0.799 15.572 -0.027
350 HB3 ARG 48 HB2 ARG 48 0.036 17.093 0.413
351 HG2 ARG 48 HG3 ARG 48 -0.905 16.127 2.380
352 HG3 ARG 48 HG2 ARG 48 -0.401 14.508 1.883
353 HD2 ARG 48 HD3 ARG 48 1.086 15.492 3.590
354 HD3 ARG 48 HD2 ARG 48 1.915 15.106 2.085
355 HE ARG 48 HE ARG 48 1.001 17.856 2.528
356 HH11 ARG 48 HH11 ARG 48 3.646 15.564 2.248
357 HH12 ARG 48 HH12 ARG 48 4.857 16.803 2.099
358 HH21 ARG 48 HH22 ARG 48 2.622 19.475 2.312
359 HH22 ARG 48 HH21 ARG 48 4.289 18.987 2.130
360 H THR 49 H THR 49 0.705 16.129 -1.871
361 HA THR 49 HA THR 49 -0.604 18.259 -3.346
362 HB THR 49 HB THR 49 1.525 18.763 -2.313
363 HG1 THR 49 HG1 THR 49 1.132 19.815 -4.275
364 HG21 THR 49 HG21 THR 49 2.715 16.611 -4.060
365 HG22 THR 49 HG22 THR 49 2.463 16.496 -2.317
366 HG23 THR 49 HG23 THR 49 3.597 17.682 -2.970
367 H LYS 50 H LYS 50 -0.644 15.137 -3.742
368 HA LYS 50 HA LYS 50 -0.989 13.691 -5.457
369 HB2 LYS 50 HB3 LYS 50 -1.456 16.128 -7.175
370 HB3 LYS 50 HB2 LYS 50 -2.117 14.515 -7.396
371 HG2 LYS 50 HG3 LYS 50 -2.806 16.466 -5.213
372 HG3 LYS 50 HG2 LYS 50 -3.825 15.985 -6.564
373 HD2 LYS 50 HD3 LYS 50 -3.821 13.677 -5.680
374 HD3 LYS 50 HD2 LYS 50 -2.892 14.242 -4.290
375 HE2 LYS 50 HE3 LYS 50 -4.755 15.886 -3.866
376 HE3 LYS 50 HE2 LYS 50 -5.689 15.022 -5.086
377 HZ1 LYS 50 HZ1 LYS 50 -5.369 12.983 -3.720
378 HZ2 LYS 50 HZ2 LYS 50 -6.287 14.189 -2.956
379 HZ3 LYS 50 HZ3 LYS 50 -4.670 13.952 -2.515
380 H GLN 51 H GLN 51 1.708 14.464 -5.026
381 HA GLN 51 HA GLN 51 2.850 14.634 -7.701
382 HB2 GLN 51 HB3 GLN 51 4.031 14.922 -4.947
383 HB3 GLN 51 HB2 GLN 51 5.040 14.763 -6.378
384 HG2 GLN 51 HG3 GLN 51 2.936 16.882 -6.123
385 HG3 GLN 51 HG2 GLN 51 4.582 17.109 -5.540
386 HE21 GLN 51 HE22 GLN 51 4.956 18.785 -6.990
387 HE22 GLN 51 HE21 GLN 51 5.198 18.501 -8.688
388 H PHE 52 H PHE 52 4.693 13.203 -8.195
389 HA PHE 52 HA PHE 52 4.154 10.486 -7.194
390 HB2 PHE 52 HB3 PHE 52 5.076 11.316 -9.965
391 HB3 PHE 52 HB2 PHE 52 4.818 9.662 -9.427
392 HD1 PHE 52 HD2 PHE 52 3.130 12.857 -10.192
393 HD2 PHE 52 HD1 PHE 52 2.664 8.697 -9.441
394 HE1 PHE 52 HE2 PHE 52 0.792 12.988 -10.943
395 HE2 PHE 52 HE1 PHE 52 0.324 8.819 -10.197
396 HZ PHE 52 HZ PHE 52 -0.614 10.969 -10.949
397 H GLY 53 H GLY 53 5.760 10.021 -5.841
398 HA2 GLY 53 HA3 GLY 53 8.523 10.518 -6.753
399 HA3 GLY 53 HA2 GLY 53 8.014 11.002 -5.140
400 H THR 54 H THR 54 10.114 9.131 -5.819
401 HA THR 54 HA THR 54 8.964 6.590 -4.889
402 HB THR 54 HB THR 54 10.313 6.403 -6.879
403 HG1 THR 54 HG1 THR 54 10.553 4.857 -4.952
404 HG21 THR 54 HG21 THR 54 12.784 6.897 -6.754
405 HG22 THR 54 HG22 THR 54 12.469 7.769 -5.252
406 HG23 THR 54 HG23 THR 54 11.734 8.312 -6.761
407 H PHE 55 H PHE 55 9.834 5.521 -3.051
408 HA PHE 55 HA PHE 55 11.987 6.606 -1.552
409 HB2 PHE 55 HB3 PHE 55 10.747 7.235 0.480
410 HB3 PHE 55 HB2 PHE 55 10.328 8.263 -0.877
411 HD1 PHE 55 HD1 PHE 55 8.102 8.069 -1.939
412 HD2 PHE 55 HD2 PHE 55 9.155 5.818 1.517
413 HE1 PHE 55 HE1 PHE 55 5.725 7.604 -1.514
414 HE2 PHE 55 HE2 PHE 55 6.781 5.347 1.940
415 HZ PHE 55 HZ PHE 55 5.063 6.243 0.425
416 HA PRO 56 HA PRO 56 12.398 2.602 0.172
417 HB2 PRO 56 HB2 PRO 56 11.947 3.654 2.924
418 HB3 PRO 56 HB3 PRO 56 13.279 2.682 2.291
419 HG2 PRO 56 HG3 PRO 56 13.597 5.289 2.758
420 HG3 PRO 56 HG2 PRO 56 14.353 4.508 1.357
421 HD2 PRO 56 HD3 PRO 56 11.966 6.290 1.477
422 HD3 PRO 56 HD2 PRO 56 13.200 6.138 0.211
423 H GLY 57 H GLY 57 11.057 0.906 0.349
424 HA2 GLY 57 HA3 GLY 57 8.275 1.442 1.057
425 HA3 GLY 57 HA2 GLY 57 8.868 0.024 0.210
426 H ASN 58 H ASN 58 11.014 0.387 2.586
427 HA ASN 58 HA ASN 58 9.510 -1.307 4.463
428 HB2 ASN 58 HB3 ASN 58 11.740 -2.095 3.555
429 HB3 ASN 58 HB2 ASN 58 12.494 -0.763 4.419
430 HD21 ASN 58 HD22 ASN 58 12.932 -0.985 6.549
431 HD22 ASN 58 HD21 ASN 58 12.556 -2.395 7.479
432 H TYR 59 H TYR 59 9.272 1.590 4.050
433 HA TYR 59 HA TYR 59 10.022 2.537 6.730
434 HB2 TYR 59 HB3 TYR 59 11.305 3.855 5.292
435 HB3 TYR 59 HB2 TYR 59 10.078 3.852 4.031
436 HD1 TYR 59 HD1 TYR 59 8.245 5.384 4.089
437 HD2 TYR 59 HD2 TYR 59 11.211 5.437 7.124
438 HE1 TYR 59 HE1 TYR 59 7.428 7.595 4.841
439 HE2 TYR 59 HE2 TYR 59 10.413 7.628 7.889
440 HH TYR 59 HH TYR 59 9.167 9.556 6.988
441 H VAL 60 H VAL 60 7.603 1.801 4.524
442 HA VAL 60 HA VAL 60 5.590 3.315 6.038
443 HB VAL 60 HB VAL 60 5.910 4.087 3.674
444 HG11 VAL 60 HG11 VAL 60 4.880 2.610 1.904
445 HG12 VAL 60 HG12 VAL 60 5.054 1.293 3.065
446 HG13 VAL 60 HG13 VAL 60 6.482 2.148 2.486
447 HG21 VAL 60 HG21 VAL 60 3.465 3.943 3.080
448 HG22 VAL 60 HG22 VAL 60 3.868 4.620 4.658
449 HG23 VAL 60 HG23 VAL 60 3.291 2.962 4.536
450 H LYS 61 H LYS 61 3.561 2.192 6.347
451 HA LYS 61 HA LYS 61 3.895 -0.717 6.196
452 HB2 LYS 61 HB3 LYS 61 2.705 0.903 8.449
453 HB3 LYS 61 HB2 LYS 61 2.706 -0.856 8.363
454 HG2 LYS 61 HG3 LYS 61 5.238 -0.672 8.184
455 HG3 LYS 61 HG2 LYS 61 5.029 1.000 8.691
456 HD2 LYS 61 HD3 LYS 61 5.500 -0.360 10.620
457 HD3 LYS 61 HD2 LYS 61 3.833 0.216 10.690
458 HE2 LYS 61 HE3 LYS 61 3.086 -1.953 9.767
459 HE3 LYS 61 HE2 LYS 61 4.757 -2.517 9.814
460 HZ1 LYS 61 HZ1 LYS 61 3.577 -3.275 11.755
461 HZ2 LYS 61 HZ2 LYS 61 3.133 -1.686 12.159
462 HZ3 LYS 61 HZ3 LYS 61 4.762 -2.154 12.216
463 HA PRO 62 HA PRO 62 0.027 -1.364 4.241
464 HB2 PRO 62 HB2 PRO 62 -1.081 -3.241 5.960
465 HB3 PRO 62 HB3 PRO 62 0.074 -3.605 4.672
466 HG2 PRO 62 HG3 PRO 62 0.583 -3.127 7.591
467 HG3 PRO 62 HG2 PRO 62 1.251 -4.389 6.543
468 HD2 PRO 62 HD3 PRO 62 2.718 -2.295 7.130
469 HD3 PRO 62 HD2 PRO 62 2.676 -2.881 5.449
470 H LEU 63 H LEU 63 -2.061 -0.661 4.287
471 HA LEU 63 HA LEU 63 -2.941 1.139 6.234
472 HB2 LEU 63 HB3 LEU 63 -4.478 -0.396 4.145
473 HB3 LEU 63 HB2 LEU 63 -5.167 0.888 5.124
474 HG LEU 63 HG LEU 63 -2.888 1.189 3.166
475 HD11 LEU 63 HD11 LEU 63 -5.059 0.862 2.083
476 HD12 LEU 63 HD12 LEU 63 -4.484 2.518 1.878
477 HD13 LEU 63 HD13 LEU 63 -5.745 2.161 3.057
478 HD21 LEU 63 HD21 LEU 63 -4.319 3.252 4.821
479 HD22 LEU 63 HD22 LEU 63 -3.033 3.549 3.648
480 HD23 LEU 63 HD23 LEU 63 -2.695 2.629 5.118
481 H TYR 64 H TYR 64 -3.940 0.896 8.112
482 HA TYR 64 HA TYR 64 -4.552 -1.758 9.024
483 HB2 TYR 64 HB3 TYR 64 -4.782 -0.601 11.209
484 HB3 TYR 64 HB2 TYR 64 -3.196 -0.454 10.493
485 HD1 TYR 64 HD1 TYR 64 -6.432 1.349 10.368
486 HD2 TYR 64 HD2 TYR 64 -2.223 1.634 10.772
487 HE1 TYR 64 HE1 TYR 64 -6.639 3.790 10.630
488 HE2 TYR 64 HE2 TYR 64 -2.400 4.078 11.027
489 HH TYR 64 HH TYR 64 -5.359 5.652 11.608
Start of MODEL 12
1 H1 GLN 1 H1 GLN 1 -4.255 -2.119 -13.280
2 H2 GLN 1 H2 GLN 1 -4.712 -3.720 -12.965
3 H3 GLN 1 H3 GLN 1 -5.688 -2.444 -12.428
4 HA GLN 1 HA GLN 1 -6.679 -3.445 -14.351
5 HB2 GLN 1 HB3 GLN 1 -6.343 -0.800 -13.970
6 HB3 GLN 1 HB2 GLN 1 -5.512 -0.962 -15.510
7 HG2 GLN 1 HG3 GLN 1 -8.329 -1.886 -15.001
8 HG3 GLN 1 HG2 GLN 1 -7.906 -0.318 -15.681
9 HE21 GLN 1 HE22 GLN 1 -5.729 -1.278 -17.284
10 HE22 GLN 1 HE21 GLN 1 -6.414 -2.196 -18.580
11 H THR 2 H THR 2 -6.038 -5.061 -15.617
12 HA THR 2 HA THR 2 -4.923 -6.291 -17.172
13 HB THR 2 HB THR 2 -3.369 -3.783 -17.856
14 HG1 THR 2 HG1 THR 2 -5.464 -4.726 -19.472
15 HG21 THR 2 HG21 THR 2 -2.920 -4.887 -19.967
16 HG22 THR 2 HG22 THR 2 -3.869 -6.290 -19.469
17 HG23 THR 2 HG23 THR 2 -2.362 -5.904 -18.639
18 H SER 3 H SER 3 -2.574 -3.963 -15.829
19 HA SER 3 HA SER 3 -0.898 -6.185 -14.938
20 HB2 SER 3 HB3 SER 3 -0.467 -3.186 -14.773
21 HB3 SER 3 HB2 SER 3 0.716 -4.419 -14.331
22 HG SER 3 HG SER 3 -0.215 -4.894 -16.804
23 H GLN 4 H GLN 4 -0.571 -6.647 -12.788
24 HA GLN 4 HA GLN 4 -2.694 -6.282 -11.019
25 HB2 GLN 4 HB3 GLN 4 -0.909 -8.104 -11.083
26 HB3 GLN 4 HB2 GLN 4 0.128 -6.973 -10.231
27 HG2 GLN 4 HG3 GLN 4 -1.554 -6.859 -8.429
28 HG3 GLN 4 HG2 GLN 4 -2.480 -8.094 -9.284
29 HE21 GLN 4 HE22 GLN 4 -1.675 -10.213 -9.392
30 HE22 GLN 4 HE21 GLN 4 -0.417 -10.768 -8.323
31 H ASP 5 H ASP 5 -3.261 -4.449 -9.970
32 HA ASP 5 HA ASP 5 -1.333 -2.408 -9.347
33 HB2 ASP 5 HB3 ASP 5 -4.163 -2.736 -8.387
34 HB3 ASP 5 HB2 ASP 5 -3.156 -1.350 -8.043
35 H LEU 6 H LEU 6 -0.743 -1.791 -7.265
36 HA LEU 6 HA LEU 6 -0.444 -4.078 -5.496
37 HB2 LEU 6 HB3 LEU 6 1.063 -1.487 -5.738
38 HB3 LEU 6 HB2 LEU 6 1.367 -2.690 -4.507
39 HG LEU 6 HG LEU 6 1.480 -3.462 -7.392
40 HD11 LEU 6 HD11 LEU 6 4.047 -3.041 -6.896
41 HD12 LEU 6 HD12 LEU 6 3.365 -1.783 -5.859
42 HD13 LEU 6 HD13 LEU 6 3.007 -1.794 -7.583
43 HD21 LEU 6 HD21 LEU 6 3.046 -4.429 -5.007
44 HD22 LEU 6 HD22 LEU 6 2.891 -5.202 -6.586
45 HD23 LEU 6 HD23 LEU 6 1.502 -5.122 -5.496
46 H PHE 7 H PHE 7 0.098 -2.945 -3.125
47 HA PHE 7 HA PHE 7 -2.623 -2.113 -2.413
48 HB2 PHE 7 HB3 PHE 7 -0.535 -3.185 -0.525
49 HB3 PHE 7 HB2 PHE 7 -2.275 -3.126 -0.294
50 HD1 PHE 7 HD1 PHE 7 -3.189 -4.240 -2.889
51 HD2 PHE 7 HD2 PHE 7 -0.037 -5.448 -0.300
52 HE1 PHE 7 HE1 PHE 7 -3.387 -6.547 -3.734
53 HE2 PHE 7 HE2 PHE 7 -0.222 -7.751 -1.142
54 HZ PHE 7 HZ PHE 7 -1.896 -8.303 -2.861
55 H SER 8 H SER 8 -2.914 -0.612 -0.705
56 HA SER 8 HA SER 8 -0.977 1.561 -0.819
57 HB2 SER 8 HB3 SER 8 -3.691 1.577 0.468
58 HB3 SER 8 HB2 SER 8 -2.744 2.960 -0.056
59 HG SER 8 HG SER 8 -2.972 2.143 -2.233
60 H TYR 9 H TYR 9 -0.091 2.509 0.998
61 HA TYR 9 HA TYR 9 -0.418 1.039 3.524
62 HB2 TYR 9 HB3 TYR 9 2.239 1.901 2.325
63 HB3 TYR 9 HB2 TYR 9 2.020 1.324 3.961
64 HD1 TYR 9 HD2 TYR 9 1.276 0.185 0.461
65 HD2 TYR 9 HD1 TYR 9 2.466 -0.843 4.399
66 HE1 TYR 9 HE2 TYR 9 1.590 -2.147 -0.254
67 HE2 TYR 9 HE1 TYR 9 2.781 -3.185 3.707
68 HH TYR 9 HH TYR 9 2.815 -4.142 0.431
69 H GLN 10 H GLN 10 0.095 2.284 5.418
70 HA GLN 10 HA GLN 10 -0.253 5.175 4.947
71 HB2 GLN 10 HB3 GLN 10 -2.064 3.896 6.210
72 HB3 GLN 10 HB2 GLN 10 -0.885 3.688 7.498
73 HG2 GLN 10 HG3 GLN 10 -0.769 6.057 7.869
74 HG3 GLN 10 HG2 GLN 10 -1.753 6.368 6.437
75 HE21 GLN 10 HE22 GLN 10 -2.197 7.109 9.245
76 HE22 GLN 10 HE21 GLN 10 -3.737 6.447 9.664
77 H ALA 11 H ALA 11 1.275 6.511 5.639
78 HA ALA 11 HA ALA 11 3.756 5.317 6.439
79 HB1 ALA 11 HB1 ALA 11 4.747 7.327 5.823
80 HB2 ALA 11 HB2 ALA 11 3.280 8.246 6.127
81 HB3 ALA 11 HB3 ALA 11 3.373 7.177 4.729
82 H LEU 12 H LEU 12 4.871 5.602 8.288
83 HA LEU 12 HA LEU 12 3.300 5.975 10.644
84 HB2 LEU 12 HB3 LEU 12 6.278 5.605 10.400
85 HB3 LEU 12 HB2 LEU 12 5.283 5.286 11.811
86 HG LEU 12 HG LEU 12 4.867 3.808 9.231
87 HD11 LEU 12 HD11 LEU 12 6.755 3.120 11.474
88 HD12 LEU 12 HD12 LEU 12 7.171 3.499 9.801
89 HD13 LEU 12 HD13 LEU 12 6.276 2.025 10.175
90 HD21 LEU 12 HD21 LEU 12 4.180 3.261 12.115
91 HD22 LEU 12 HD22 LEU 12 3.967 2.107 10.796
92 HD23 LEU 12 HD23 LEU 12 3.070 3.620 10.792
93 H TYR 13 H TYR 13 5.614 7.859 8.878
94 HA TYR 13 HA TYR 13 5.293 10.101 10.713
95 HB2 TYR 13 HB3 TYR 13 7.975 8.906 9.966
96 HB3 TYR 13 HB2 TYR 13 7.778 10.493 10.698
97 HD1 TYR 13 HD2 TYR 13 6.513 10.545 12.972
98 HD2 TYR 13 HD1 TYR 13 8.283 7.049 11.323
99 HE1 TYR 13 HE2 TYR 13 6.568 9.528 15.208
100 HE2 TYR 13 HE1 TYR 13 8.344 6.016 13.553
101 HH TYR 13 HH TYR 13 8.399 6.861 15.978
102 H SER 14 H SER 14 6.654 12.011 9.701
103 HA SER 14 HA SER 14 5.972 12.134 6.879
104 HB2 SER 14 HB3 SER 14 7.215 14.334 8.536
105 HB3 SER 14 HB2 SER 14 6.286 14.483 7.043
106 HG SER 14 HG SER 14 5.363 13.824 9.634
107 H TYR 15 H TYR 15 7.421 12.241 5.239
108 HA TYR 15 HA TYR 15 10.242 11.728 5.931
109 HB2 TYR 15 HB3 TYR 15 8.934 9.935 4.659
110 HB3 TYR 15 HB2 TYR 15 8.860 11.081 3.334
111 HD1 TYR 15 HD2 TYR 15 11.260 9.098 5.362
112 HD2 TYR 15 HD1 TYR 15 10.605 11.389 1.842
113 HE1 TYR 15 HE2 TYR 15 13.422 8.328 4.461
114 HE2 TYR 15 HE1 TYR 15 12.752 10.626 0.926
115 HH TYR 15 HH TYR 15 14.714 9.619 1.428
116 H ILE 16 H ILE 16 11.740 13.132 5.228
117 HA ILE 16 HA ILE 16 10.924 15.163 3.265
118 HB ILE 16 HB ILE 16 13.257 15.268 5.187
119 HG12 ILE 16 HG13 ILE 16 11.077 15.425 6.338
120 HG13 ILE 16 HG12 ILE 16 11.959 16.941 6.383
121 HG21 ILE 16 HG21 ILE 16 12.144 17.584 3.666
122 HG22 ILE 16 HG22 ILE 16 13.279 16.479 2.904
123 HG23 ILE 16 HG23 ILE 16 13.758 17.366 4.351
124 HD11 ILE 16 HD11 ILE 16 10.511 18.004 5.000
125 HD12 ILE 16 HD12 ILE 16 9.419 16.891 5.826
126 HD13 ILE 16 HD13 ILE 16 10.026 16.507 4.215
127 HA PRO 17 HA PRO 17 13.195 12.691 0.374
128 HB2 PRO 17 HB2 PRO 17 13.269 15.270 -1.101
129 HB3 PRO 17 HB3 PRO 17 12.699 13.684 -1.631
130 HG2 PRO 17 HG3 PRO 17 10.981 15.630 -1.015
131 HG3 PRO 17 HG2 PRO 17 10.637 13.936 -0.622
132 HD2 PRO 17 HD3 PRO 17 11.492 16.159 1.165
133 HD3 PRO 17 HD2 PRO 17 10.425 14.792 1.499
134 H GLN 18 H GLN 18 15.292 12.215 0.274
135 HA GLN 18 HA GLN 18 17.329 14.092 1.087
136 HB2 GLN 18 HB3 GLN 18 17.659 11.394 -0.248
137 HB3 GLN 18 HB2 GLN 18 18.886 12.280 0.646
138 HG2 GLN 18 HG3 GLN 18 17.687 11.977 2.696
139 HG3 GLN 18 HG2 GLN 18 16.329 11.248 1.844
140 HE21 GLN 18 HE22 GLN 18 16.418 9.354 2.971
141 HE22 GLN 18 HE21 GLN 18 17.688 8.193 2.773
142 H ASN 19 H ASN 19 16.041 12.733 -1.825
143 HA ASN 19 HA ASN 19 17.161 14.978 -3.360
144 HB2 ASN 19 HB3 ASN 19 17.008 12.061 -4.130
145 HB3 ASN 19 HB2 ASN 19 17.020 13.323 -5.355
146 HD21 ASN 19 HD22 ASN 19 18.943 11.203 -4.788
147 HD22 ASN 19 HD21 ASN 19 20.460 11.994 -4.509
148 H ASP 20 H ASP 20 15.690 15.620 -5.139
149 HA ASP 20 HA ASP 20 12.996 15.551 -4.165
150 HB2 ASP 20 HB3 ASP 20 14.107 17.514 -5.357
151 HB3 ASP 20 HB2 ASP 20 13.833 16.627 -6.854
152 H ASP 21 H ASP 21 14.770 13.515 -6.174
153 HA ASP 21 HA ASP 21 12.745 12.353 -7.741
154 HB2 ASP 21 HB3 ASP 21 15.090 10.997 -6.387
155 HB3 ASP 21 HB2 ASP 21 14.129 10.316 -7.696
156 H GLU 22 H GLU 22 13.554 12.204 -4.390
157 HA GLU 22 HA GLU 22 11.716 10.060 -3.777
158 HB2 GLU 22 HB3 GLU 22 13.408 11.897 -2.080
159 HB3 GLU 22 HB2 GLU 22 12.310 10.707 -1.395
160 HG2 GLU 22 HG3 GLU 22 13.593 8.933 -2.058
161 HG3 GLU 22 HG2 GLU 22 14.340 9.820 -3.386
162 H LEU 23 H LEU 23 10.015 10.362 -2.208
163 HA LEU 23 HA LEU 23 8.381 12.604 -3.083
164 HB2 LEU 23 HB3 LEU 23 7.642 10.212 -3.196
165 HB3 LEU 23 HB2 LEU 23 7.628 10.194 -1.446
166 HG LEU 23 HG LEU 23 5.820 11.757 -1.366
167 HD11 LEU 23 HD11 LEU 23 4.821 12.696 -3.396
168 HD12 LEU 23 HD12 LEU 23 6.085 11.944 -4.363
169 HD13 LEU 23 HD13 LEU 23 6.498 13.212 -3.210
170 HD21 LEU 23 HD21 LEU 23 4.151 10.493 -2.809
171 HD22 LEU 23 HD22 LEU 23 5.086 9.548 -1.643
172 HD23 LEU 23 HD23 LEU 23 5.543 9.547 -3.346
173 H GLU 24 H GLU 24 7.780 14.255 -1.764
174 HA GLU 24 HA GLU 24 8.701 14.294 0.968
175 HB2 GLU 24 HB3 GLU 24 8.232 16.315 -0.700
176 HB3 GLU 24 HB2 GLU 24 6.619 16.213 -0.003
177 HG2 GLU 24 HG3 GLU 24 7.849 16.275 2.268
178 HG3 GLU 24 HG2 GLU 24 9.214 16.860 1.329
179 H LEU 25 H LEU 25 7.674 13.346 2.568
180 HA LEU 25 HA LEU 25 4.986 12.286 2.001
181 HB2 LEU 25 HB3 LEU 25 6.928 10.697 1.919
182 HB3 LEU 25 HB2 LEU 25 7.227 11.054 3.596
183 HG LEU 25 HG LEU 25 6.028 8.881 2.950
184 HD11 LEU 25 HD11 LEU 25 4.497 9.297 5.029
185 HD12 LEU 25 HD12 LEU 25 5.472 10.761 5.144
186 HD13 LEU 25 HD13 LEU 25 6.250 9.187 5.169
187 HD21 LEU 25 HD21 LEU 25 3.497 9.298 3.143
188 HD22 LEU 25 HD22 LEU 25 4.286 9.523 1.576
189 HD23 LEU 25 HD23 LEU 25 3.898 10.923 2.570
190 H ARG 26 H ARG 26 3.440 12.511 3.565
191 HA ARG 26 HA ARG 26 4.259 13.980 5.975
192 HB2 ARG 26 HB3 ARG 26 2.575 15.039 4.438
193 HB3 ARG 26 HB2 ARG 26 1.469 13.739 4.847
194 HG2 ARG 26 HG3 ARG 26 0.994 15.706 6.165
195 HG3 ARG 26 HG2 ARG 26 1.573 14.402 7.202
196 HD2 ARG 26 HD3 ARG 26 3.873 15.425 6.969
197 HD3 ARG 26 HD2 ARG 26 3.070 16.818 6.249
198 HE ARG 26 HE ARG 26 2.179 15.929 8.889
199 HH11 ARG 26 HH11 ARG 26 3.878 18.266 6.920
200 HH12 ARG 26 HH12 ARG 26 4.017 19.445 8.192
201 HH21 ARG 26 HH22 ARG 26 2.298 17.490 10.560
202 HH22 ARG 26 HH21 ARG 26 3.088 19.015 10.259
203 H ASP 27 H ASP 27 3.434 13.372 8.005
204 HA ASP 27 HA ASP 27 3.402 10.648 8.542
205 HB2 ASP 27 HB3 ASP 27 2.636 11.198 10.782
206 HB3 ASP 27 HB2 ASP 27 3.882 12.308 10.255
207 H GLY 28 H GLY 28 1.931 9.124 8.648
208 HA2 GLY 28 HA3 GLY 28 -0.040 7.997 8.428
209 HA3 GLY 28 HA2 GLY 28 -0.858 9.450 8.967
210 H ASP 29 H ASP 29 1.165 9.454 6.153
211 HA ASP 29 HA ASP 29 -1.145 10.024 4.476
212 HB2 ASP 29 HB3 ASP 29 0.969 11.391 4.367
213 HB3 ASP 29 HB2 ASP 29 1.776 9.975 3.698
214 H ILE 30 H ILE 30 -1.771 8.743 2.720
215 HA ILE 30 HA ILE 30 -0.812 5.981 2.891
216 HB ILE 30 HB ILE 30 -3.347 7.085 1.661
217 HG12 ILE 30 HG13 ILE 30 -4.394 5.566 3.402
218 HG13 ILE 30 HG12 ILE 30 -2.800 5.416 4.118
219 HG21 ILE 30 HG21 ILE 30 -2.531 4.198 1.881
220 HG22 ILE 30 HG22 ILE 30 -2.377 5.157 0.413
221 HG23 ILE 30 HG23 ILE 30 -3.972 4.847 1.101
222 HD11 ILE 30 HD11 ILE 30 -4.203 7.033 5.279
223 HD12 ILE 30 HD12 ILE 30 -4.334 7.979 3.797
224 HD13 ILE 30 HD13 ILE 30 -2.767 7.782 4.582
225 H VAL 31 H VAL 31 0.424 5.187 1.352
226 HA VAL 31 HA VAL 31 0.712 6.776 -1.107
227 HB VAL 31 HB VAL 31 2.695 6.848 0.322
228 HG11 VAL 31 HG11 VAL 31 2.794 3.857 -0.043
229 HG12 VAL 31 HG12 VAL 31 2.475 4.718 1.463
230 HG13 VAL 31 HG13 VAL 31 4.057 4.841 0.694
231 HG21 VAL 31 HG21 VAL 31 3.076 5.293 -2.232
232 HG22 VAL 31 HG22 VAL 31 4.362 6.120 -1.352
233 HG23 VAL 31 HG23 VAL 31 3.037 7.048 -2.051
234 H ASP 32 H ASP 32 0.908 5.771 -3.049
235 HA ASP 32 HA ASP 32 0.476 2.861 -3.143
236 HB2 ASP 32 HB3 ASP 32 -0.632 5.032 -4.925
237 HB3 ASP 32 HB2 ASP 32 -0.562 3.348 -5.435
238 H VAL 33 H VAL 33 2.002 1.764 -4.171
239 HA VAL 33 HA VAL 33 4.258 3.193 -5.177
240 HB VAL 33 HB VAL 33 5.182 1.446 -4.203
241 HG11 VAL 33 HG11 VAL 33 2.577 0.063 -4.585
242 HG12 VAL 33 HG12 VAL 33 3.423 0.541 -3.107
243 HG13 VAL 33 HG13 VAL 33 4.008 -0.828 -4.051
244 HG21 VAL 33 HG21 VAL 33 4.428 0.177 -6.818
245 HG22 VAL 33 HG22 VAL 33 5.538 -0.562 -5.661
246 HG23 VAL 33 HG23 VAL 33 5.932 0.992 -6.388
247 H MET 34 H MET 34 4.699 3.796 -7.049
248 HA MET 34 HA MET 34 3.015 3.157 -9.302
249 HB2 MET 34 HB3 MET 34 5.411 4.983 -8.992
250 HB3 MET 34 HB2 MET 34 4.520 4.787 -10.499
251 HG2 MET 34 HG3 MET 34 3.366 5.779 -7.903
252 HG3 MET 34 HG2 MET 34 3.843 6.791 -9.265
253 HE1 MET 34 HE1 MET 34 2.879 5.040 -11.766
254 HE2 MET 34 HE2 MET 34 2.628 6.781 -11.614
255 HE3 MET 34 HE3 MET 34 1.273 5.727 -12.019
256 H GLU 35 H GLU 35 6.321 2.538 -8.233
257 HA GLU 35 HA GLU 35 6.419 0.293 -10.094
258 HB2 GLU 35 HB3 GLU 35 7.483 2.161 -11.319
259 HB3 GLU 35 HB2 GLU 35 8.634 2.346 -9.999
260 HG2 GLU 35 HG3 GLU 35 9.627 1.106 -11.815
261 HG3 GLU 35 HG2 GLU 35 9.438 0.079 -10.394
262 H LYS 36 H LYS 36 7.518 -1.425 -9.332
263 HA LYS 36 HA LYS 36 8.423 -1.195 -6.558
264 HB2 LYS 36 HB3 LYS 36 8.231 -3.906 -7.545
265 HB3 LYS 36 HB2 LYS 36 7.370 -3.151 -6.212
266 HG2 LYS 36 HG3 LYS 36 5.677 -3.843 -7.613
267 HG3 LYS 36 HG2 LYS 36 5.880 -2.156 -8.069
268 HD2 LYS 36 HD3 LYS 36 7.263 -2.839 -9.969
269 HD3 LYS 36 HD2 LYS 36 7.059 -4.531 -9.513
270 HE2 LYS 36 HE3 LYS 36 4.686 -4.380 -9.873
271 HE3 LYS 36 HE2 LYS 36 4.812 -2.659 -10.217
272 HZ1 LYS 36 HZ1 LYS 36 6.212 -3.228 -12.150
273 HZ2 LYS 36 HZ2 LYS 36 4.645 -3.867 -12.266
274 HZ3 LYS 36 HZ3 LYS 36 5.937 -4.870 -11.842
275 H CYS 37 H CYS 37 10.543 -1.229 -6.164
276 HA CYS 37 HA CYS 37 12.338 -2.340 -8.199
277 HB2 CYS 37 HB3 CYS 37 13.030 -0.567 -5.842
278 HB3 CYS 37 HB2 CYS 37 14.071 -0.988 -7.207
279 HG CYS 37 HG CYS 37 13.549 1.288 -8.289
280 H ASP 38 H ASP 38 13.555 -4.067 -7.802
281 HA ASP 38 HA ASP 38 13.045 -5.742 -5.579
282 HB2 ASP 38 HB3 ASP 38 15.260 -5.829 -7.629
283 HB3 ASP 38 HB2 ASP 38 14.924 -7.113 -6.477
284 H ASP 39 H ASP 39 14.951 -3.039 -5.901
285 HA ASP 39 HA ASP 39 17.121 -3.765 -4.184
286 HB2 ASP 39 HB3 ASP 39 16.180 -1.038 -5.076
287 HB3 ASP 39 HB2 ASP 39 17.729 -1.396 -4.317
288 H GLY 40 H GLY 40 13.894 -2.876 -3.642
289 HA2 GLY 40 HA3 GLY 40 13.160 -3.345 -1.354
290 HA3 GLY 40 HA2 GLY 40 14.575 -2.467 -0.797
291 H TRP 41 H TRP 41 13.456 -0.707 -3.366
292 HA TRP 41 HA TRP 41 11.692 0.829 -1.589
293 HB2 TRP 41 HB3 TRP 41 12.544 2.887 -2.792
294 HB3 TRP 41 HB2 TRP 41 13.683 2.110 -1.702
295 HD1 TRP 41 HD1 TRP 41 12.917 2.071 -5.505
296 HE1 TRP 41 HE1 TRP 41 15.156 1.924 -6.765
297 HE3 TRP 41 HE3 TRP 41 16.060 1.750 -1.495
298 HZ2 TRP 41 HZ2 TRP 41 17.898 1.708 -6.132
299 HZ3 TRP 41 HZ3 TRP 41 18.482 1.583 -1.905
300 HH2 TRP 41 HH2 TRP 41 19.380 1.563 -4.177
301 H PHE 42 H PHE 42 10.023 2.038 -2.637
302 HA PHE 42 HA PHE 42 9.428 1.088 -5.352
303 HB2 PHE 42 HB3 PHE 42 7.289 1.712 -3.292
304 HB3 PHE 42 HB2 PHE 42 7.108 0.902 -4.834
305 HD1 PHE 42 HD1 PHE 42 8.985 -1.197 -4.904
306 HD2 PHE 42 HD2 PHE 42 6.836 0.298 -1.553
307 HE1 PHE 42 HE1 PHE 42 9.192 -3.388 -3.803
308 HE2 PHE 42 HE2 PHE 42 7.046 -1.888 -0.439
309 HZ PHE 42 HZ PHE 42 8.226 -3.733 -1.562
310 H VAL 43 H VAL 43 8.042 2.601 -6.573
311 HA VAL 43 HA VAL 43 8.559 5.388 -5.840
312 HB VAL 43 HB VAL 43 6.851 4.572 -8.157
313 HG11 VAL 43 HG11 VAL 43 8.726 6.859 -7.649
314 HG12 VAL 43 HG12 VAL 43 6.966 6.900 -7.779
315 HG13 VAL 43 HG13 VAL 43 7.947 6.551 -9.202
316 HG21 VAL 43 HG21 VAL 43 9.094 4.606 -9.475
317 HG22 VAL 43 HG22 VAL 43 8.590 3.139 -8.638
318 HG23 VAL 43 HG23 VAL 43 9.788 4.194 -7.910
319 H GLY 44 H GLY 44 6.667 6.878 -5.731
320 HA2 GLY 44 HA3 GLY 44 4.172 5.561 -5.027
321 HA3 GLY 44 HA2 GLY 44 5.046 6.293 -3.692
322 H THR 45 H THR 45 2.436 6.925 -4.715
323 HA THR 45 HA THR 45 2.923 9.709 -5.528
324 HB THR 45 HB THR 45 0.251 8.301 -5.674
325 HG1 THR 45 HG1 THR 45 1.209 8.293 -8.077
326 HG21 THR 45 HG21 THR 45 1.339 10.448 -7.473
327 HG22 THR 45 HG22 THR 45 0.575 10.831 -5.931
328 HG23 THR 45 HG23 THR 45 -0.342 9.996 -7.183
329 H SER 46 H SER 46 2.468 11.259 -4.052
330 HA SER 46 HA SER 46 1.243 10.495 -1.528
331 HB2 SER 46 HB3 SER 46 3.220 11.891 -1.395
332 HB3 SER 46 HB2 SER 46 2.483 13.099 -2.443
333 HG SER 46 HG SER 46 1.663 12.359 0.191
334 H ARG 47 H ARG 47 -0.649 11.227 -0.731
335 HA ARG 47 HA ARG 47 -2.674 11.848 -2.640
336 HB2 ARG 47 HB3 ARG 47 -2.828 11.791 0.354
337 HB3 ARG 47 HB2 ARG 47 -4.189 11.797 -0.753
338 HG2 ARG 47 HG3 ARG 47 -3.630 9.631 -1.548
339 HG3 ARG 47 HG2 ARG 47 -2.110 9.637 -0.640
340 HD2 ARG 47 HD3 ARG 47 -4.897 9.662 0.474
341 HD3 ARG 47 HD2 ARG 47 -3.696 8.376 0.616
342 HE ARG 47 HE ARG 47 -2.350 10.307 1.769
343 HH11 ARG 47 HH11 ARG 47 -5.758 9.525 2.160
344 HH12 ARG 47 HH12 ARG 47 -5.846 10.208 3.757
345 HH21 ARG 47 HH22 ARG 47 -2.488 11.223 3.825
346 HH22 ARG 47 HH21 ARG 47 -4.002 11.232 4.682
347 H ARG 48 H ARG 48 -0.484 13.791 -1.063
348 HA ARG 48 HA ARG 48 -2.139 15.843 -0.040
349 HB2 ARG 48 HB3 ARG 48 0.771 15.766 -0.791
350 HB3 ARG 48 HB2 ARG 48 0.013 17.173 -0.051
351 HG2 ARG 48 HG3 ARG 48 -0.629 15.737 1.873
352 HG3 ARG 48 HG2 ARG 48 0.285 14.417 1.137
353 HD2 ARG 48 HD3 ARG 48 1.595 15.594 2.843
354 HD3 ARG 48 HD2 ARG 48 2.319 15.739 1.241
355 HE ARG 48 HE ARG 48 0.569 17.915 2.027
356 HH11 ARG 48 HH11 ARG 48 3.836 16.677 1.917
357 HH12 ARG 48 HH12 ARG 48 4.585 18.238 2.011
358 HH21 ARG 48 HH22 ARG 48 1.537 19.989 2.173
359 HH22 ARG 48 HH21 ARG 48 3.275 20.125 2.176
360 H THR 49 H THR 49 -0.158 15.716 -2.976
361 HA THR 49 HA THR 49 -1.977 17.629 -4.235
362 HB THR 49 HB THR 49 -0.044 18.853 -3.304
363 HG1 THR 49 HG1 THR 49 0.323 18.852 -6.109
364 HG21 THR 49 HG21 THR 49 1.650 17.294 -5.248
365 HG22 THR 49 HG22 THR 49 1.552 16.944 -3.517
366 HG23 THR 49 HG23 THR 49 2.185 18.500 -4.075
367 H LYS 50 H LYS 50 -1.278 14.691 -4.361
368 HA LYS 50 HA LYS 50 -1.097 13.017 -5.879
369 HB2 LYS 50 HB3 LYS 50 -1.696 15.092 -7.985
370 HB3 LYS 50 HB2 LYS 50 -2.002 13.364 -8.062
371 HG2 LYS 50 HG3 LYS 50 -3.375 15.296 -6.211
372 HG3 LYS 50 HG2 LYS 50 -4.041 14.667 -7.713
373 HD2 LYS 50 HD3 LYS 50 -3.878 12.385 -6.766
374 HD3 LYS 50 HD2 LYS 50 -3.335 13.090 -5.241
375 HE2 LYS 50 HE3 LYS 50 -5.426 14.367 -5.103
376 HE3 LYS 50 HE2 LYS 50 -5.969 13.635 -6.609
377 HZ1 LYS 50 HZ1 LYS 50 -6.981 12.481 -4.828
378 HZ2 LYS 50 HZ2 LYS 50 -5.508 12.266 -4.017
379 HZ3 LYS 50 HZ3 LYS 50 -5.800 11.446 -5.471
380 H GLN 51 H GLN 51 1.314 14.129 -5.144
381 HA GLN 51 HA GLN 51 2.837 14.481 -7.600
382 HB2 GLN 51 HB3 GLN 51 4.700 15.110 -6.090
383 HB3 GLN 51 HB2 GLN 51 3.286 16.133 -5.908
384 HG2 GLN 51 HG3 GLN 51 2.647 14.906 -3.903
385 HG3 GLN 51 HG2 GLN 51 4.052 13.860 -4.094
386 HE21 GLN 51 HE22 GLN 51 3.389 15.552 -1.851
387 HE22 GLN 51 HE21 GLN 51 4.676 16.699 -1.681
388 H PHE 52 H PHE 52 4.891 13.312 -7.825
389 HA PHE 52 HA PHE 52 4.504 10.543 -6.903
390 HB2 PHE 52 HB3 PHE 52 5.562 11.505 -9.577
391 HB3 PHE 52 HB2 PHE 52 5.456 9.823 -9.077
392 HD1 PHE 52 HD2 PHE 52 3.453 12.825 -9.886
393 HD2 PHE 52 HD1 PHE 52 3.464 8.609 -9.327
394 HE1 PHE 52 HE2 PHE 52 1.179 12.703 -10.811
395 HE2 PHE 52 HE1 PHE 52 1.188 8.476 -10.255
396 HZ PHE 52 HZ PHE 52 0.043 10.527 -10.994
397 H GLY 53 H GLY 53 6.038 9.999 -5.536
398 HA2 GLY 53 HA3 GLY 53 8.832 10.704 -6.204
399 HA3 GLY 53 HA2 GLY 53 8.217 10.961 -4.575
400 H THR 54 H THR 54 10.395 9.197 -5.518
401 HA THR 54 HA THR 54 9.243 6.585 -4.824
402 HB THR 54 HB THR 54 10.570 6.558 -6.837
403 HG1 THR 54 HG1 THR 54 10.790 4.836 -5.105
404 HG21 THR 54 HG21 THR 54 13.054 7.017 -6.685
405 HG22 THR 54 HG22 THR 54 12.745 7.775 -5.119
406 HG23 THR 54 HG23 THR 54 12.015 8.437 -6.586
407 H PHE 55 H PHE 55 9.961 5.412 -3.044
408 HA PHE 55 HA PHE 55 12.200 6.237 -1.485
409 HB2 PHE 55 HB3 PHE 55 10.970 6.759 0.594
410 HB3 PHE 55 HB2 PHE 55 10.661 7.932 -0.670
411 HD1 PHE 55 HD1 PHE 55 8.441 8.009 -1.778
412 HD2 PHE 55 HD2 PHE 55 9.260 5.368 1.465
413 HE1 PHE 55 HE1 PHE 55 6.033 7.677 -1.435
414 HE2 PHE 55 HE2 PHE 55 6.850 5.034 1.804
415 HZ PHE 55 HZ PHE 55 5.232 6.190 0.355
416 HA PRO 56 HA PRO 56 12.258 2.058 -0.166
417 HB2 PRO 56 HB2 PRO 56 12.349 2.951 2.665
418 HB3 PRO 56 HB3 PRO 56 13.471 1.921 1.771
419 HG2 PRO 56 HG3 PRO 56 14.102 4.445 2.369
420 HG3 PRO 56 HG2 PRO 56 14.584 3.715 0.827
421 HD2 PRO 56 HD3 PRO 56 12.399 5.669 1.399
422 HD3 PRO 56 HD2 PRO 56 13.458 5.538 -0.019
423 H GLY 57 H GLY 57 10.726 0.556 0.132
424 HA2 GLY 57 HA3 GLY 57 8.120 1.397 1.081
425 HA3 GLY 57 HA2 GLY 57 8.522 -0.165 0.381
426 H ASN 58 H ASN 58 10.828 0.269 2.562
427 HA ASN 58 HA ASN 58 9.476 -1.412 4.529
428 HB2 ASN 58 HB3 ASN 58 12.379 -0.726 4.048
429 HB3 ASN 58 HB2 ASN 58 11.836 -1.641 5.450
430 HD21 ASN 58 HD22 ASN 58 13.562 -2.329 3.124
431 HD22 ASN 58 HD21 ASN 58 12.860 -3.775 2.479
432 H TYR 59 H TYR 59 8.980 1.472 4.256
433 HA TYR 59 HA TYR 59 9.849 2.367 6.920
434 HB2 TYR 59 HB3 TYR 59 11.159 3.685 5.521
435 HB3 TYR 59 HB2 TYR 59 9.950 3.720 4.248
436 HD1 TYR 59 HD1 TYR 59 8.162 5.300 4.284
437 HD2 TYR 59 HD2 TYR 59 11.108 5.297 7.346
438 HE1 TYR 59 HE1 TYR 59 7.429 7.556 4.985
439 HE2 TYR 59 HE2 TYR 59 10.389 7.538 8.061
440 HH TYR 59 HH TYR 59 9.231 9.476 7.156
441 H VAL 60 H VAL 60 7.374 1.491 4.956
442 HA VAL 60 HA VAL 60 5.421 3.232 6.307
443 HB VAL 60 HB VAL 60 5.697 3.668 3.847
444 HG11 VAL 60 HG11 VAL 60 4.553 1.997 2.333
445 HG12 VAL 60 HG12 VAL 60 4.755 0.844 3.654
446 HG13 VAL 60 HG13 VAL 60 6.168 1.591 2.914
447 HG21 VAL 60 HG21 VAL 60 3.218 3.518 3.348
448 HG22 VAL 60 HG22 VAL 60 3.707 4.426 4.779
449 HG23 VAL 60 HG23 VAL 60 3.070 2.795 4.950
450 H LYS 61 H LYS 61 3.322 2.189 6.732
451 HA LYS 61 HA LYS 61 3.562 -0.733 6.912
452 HB2 LYS 61 HB3 LYS 61 2.404 1.162 8.950
453 HB3 LYS 61 HB2 LYS 61 2.289 -0.592 9.039
454 HG2 LYS 61 HG3 LYS 61 4.834 -0.572 8.893
455 HG3 LYS 61 HG2 LYS 61 4.711 1.139 9.272
456 HD2 LYS 61 HD3 LYS 61 5.060 -0.085 11.309
457 HD3 LYS 61 HD2 LYS 61 3.419 0.567 11.289
458 HE2 LYS 61 HE3 LYS 61 2.599 -1.630 10.507
459 HE3 LYS 61 HE2 LYS 61 4.239 -2.264 10.649
460 HZ1 LYS 61 HZ1 LYS 61 4.179 -1.679 13.026
461 HZ2 LYS 61 HZ2 LYS 61 3.005 -2.828 12.605
462 HZ3 LYS 61 HZ3 LYS 61 2.554 -1.215 12.862
463 HA PRO 62 HA PRO 62 -0.233 -1.462 4.891
464 HB2 PRO 62 HB2 PRO 62 -1.448 -3.179 6.702
465 HB3 PRO 62 HB3 PRO 62 -0.241 -3.659 5.505
466 HG2 PRO 62 HG3 PRO 62 0.138 -2.957 8.395
467 HG3 PRO 62 HG2 PRO 62 0.836 -4.304 7.478
468 HD2 PRO 62 HD3 PRO 62 2.302 -2.178 7.975
469 HD3 PRO 62 HD2 PRO 62 2.338 -2.903 6.351
470 H LEU 63 H LEU 63 -2.283 -0.766 4.752
471 HA LEU 63 HA LEU 63 -3.258 1.221 6.488
472 HB2 LEU 63 HB3 LEU 63 -4.593 -0.357 4.300
473 HB3 LEU 63 HB2 LEU 63 -5.374 0.959 5.151
474 HG LEU 63 HG LEU 63 -2.922 1.154 3.403
475 HD11 LEU 63 HD11 LEU 63 -5.029 0.931 2.181
476 HD12 LEU 63 HD12 LEU 63 -4.357 2.552 2.008
477 HD13 LEU 63 HD13 LEU 63 -5.710 2.270 3.103
478 HD21 LEU 63 HD21 LEU 63 -4.349 3.296 4.964
479 HD22 LEU 63 HD22 LEU 63 -2.982 3.527 3.871
480 HD23 LEU 63 HD23 LEU 63 -2.778 2.599 5.358
481 H TYR 64 H TYR 64 -5.496 1.162 7.362
482 HA TYR 64 HA TYR 64 -5.823 -0.904 9.245
483 HB2 TYR 64 HB3 TYR 64 -8.151 0.257 9.472
484 HB3 TYR 64 HB2 TYR 64 -6.701 1.092 10.004
485 HD1 TYR 64 HD1 TYR 64 -5.673 2.785 8.456
486 HD2 TYR 64 HD2 TYR 64 -9.567 1.201 7.835
487 HE1 TYR 64 HE1 TYR 64 -6.218 4.710 7.020
488 HE2 TYR 64 HE2 TYR 64 -10.124 3.109 6.389
489 HH TYR 64 HH TYR 64 -7.842 5.204 5.140
Start of MODEL 13
1 H1 GLN 1 H1 GLN 1 -5.441 4.129 -16.420
2 H2 GLN 1 H2 GLN 1 -5.159 3.955 -14.759
3 H3 GLN 1 H3 GLN 1 -4.908 5.454 -15.505
4 HA GLN 1 HA GLN 1 -6.949 5.479 -14.254
5 HB2 GLN 1 HB3 GLN 1 -8.454 6.223 -16.029
6 HB3 GLN 1 HB2 GLN 1 -6.821 6.796 -16.331
7 HG2 GLN 1 HG3 GLN 1 -6.504 4.989 -17.959
8 HG3 GLN 1 HG2 GLN 1 -8.161 4.457 -17.676
9 HE21 GLN 1 HE22 GLN 1 -9.869 5.703 -18.452
10 HE22 GLN 1 HE21 GLN 1 -9.634 6.942 -19.639
11 H THR 2 H THR 2 -8.842 4.576 -13.648
12 HA THR 2 HA THR 2 -10.094 2.789 -12.977
13 HB THR 2 HB THR 2 -11.468 1.842 -14.922
14 HG1 THR 2 HG1 THR 2 -11.223 3.524 -16.750
15 HG21 THR 2 HG21 THR 2 -11.377 4.824 -14.458
16 HG22 THR 2 HG22 THR 2 -12.248 3.643 -13.478
17 HG23 THR 2 HG23 THR 2 -12.730 3.930 -15.150
18 H SER 3 H SER 3 -7.580 1.874 -12.916
19 HA SER 3 HA SER 3 -7.747 -0.816 -14.098
20 HB2 SER 3 HB3 SER 3 -5.277 0.586 -13.048
21 HB3 SER 3 HB2 SER 3 -5.337 -0.905 -13.987
22 HG SER 3 HG SER 3 -6.606 1.159 -15.236
23 H GLN 4 H GLN 4 -6.464 -2.447 -12.611
24 HA GLN 4 HA GLN 4 -7.720 -2.442 -10.057
25 HB2 GLN 4 HB3 GLN 4 -5.662 -4.210 -11.342
26 HB3 GLN 4 HB2 GLN 4 -6.061 -4.391 -9.639
27 HG2 GLN 4 HG3 GLN 4 -8.442 -4.668 -10.300
28 HG3 GLN 4 HG2 GLN 4 -7.919 -4.681 -11.984
29 HE21 GLN 4 HE22 GLN 4 -6.054 -6.097 -9.399
30 HE22 GLN 4 HE21 GLN 4 -6.270 -7.741 -9.884
31 H ASP 5 H ASP 5 -7.144 -1.369 -8.361
32 HA ASP 5 HA ASP 5 -4.751 0.154 -8.230
33 HB2 ASP 5 HB3 ASP 5 -6.493 -0.511 -5.874
34 HB3 ASP 5 HB2 ASP 5 -5.491 0.907 -6.103
35 H LEU 6 H LEU 6 -3.017 -0.111 -6.810
36 HA LEU 6 HA LEU 6 -2.326 -2.884 -6.368
37 HB2 LEU 6 HB3 LEU 6 -0.803 -0.307 -6.266
38 HB3 LEU 6 HB2 LEU 6 -0.115 -1.792 -5.648
39 HG LEU 6 HG LEU 6 -1.047 -1.323 -8.461
40 HD11 LEU 6 HD11 LEU 6 1.742 -1.864 -7.517
41 HD12 LEU 6 HD12 LEU 6 1.093 -0.231 -7.624
42 HD13 LEU 6 HD13 LEU 6 1.207 -1.230 -9.076
43 HD21 LEU 6 HD21 LEU 6 0.114 -3.547 -8.823
44 HD22 LEU 6 HD22 LEU 6 -1.450 -3.590 -8.008
45 HD23 LEU 6 HD23 LEU 6 0.034 -3.746 -7.073
46 H PHE 7 H PHE 7 -0.523 -2.278 -4.120
47 HA PHE 7 HA PHE 7 -2.571 -2.321 -2.039
48 HB2 PHE 7 HB3 PHE 7 0.313 -2.855 -1.472
49 HB3 PHE 7 HB2 PHE 7 -1.114 -3.535 -0.711
50 HD1 PHE 7 HD1 PHE 7 -2.639 -4.745 -2.726
51 HD2 PHE 7 HD2 PHE 7 1.593 -4.481 -2.461
52 HE1 PHE 7 HE1 PHE 7 -2.435 -6.779 -4.100
53 HE2 PHE 7 HE2 PHE 7 1.813 -6.506 -3.838
54 HZ PHE 7 HZ PHE 7 -0.204 -7.659 -4.660
55 H SER 8 H SER 8 -2.461 -0.956 -0.280
56 HA SER 8 HA SER 8 -0.775 1.409 -0.714
57 HB2 SER 8 HB3 SER 8 -3.609 1.434 0.286
58 HB3 SER 8 HB2 SER 8 -2.617 2.830 -0.081
59 HG SER 8 HG SER 8 -2.813 1.066 -2.164
60 H TYR 9 H TYR 9 -0.074 2.501 1.073
61 HA TYR 9 HA TYR 9 -0.448 1.184 3.664
62 HB2 TYR 9 HB3 TYR 9 2.247 1.947 2.485
63 HB3 TYR 9 HB2 TYR 9 1.976 1.401 4.124
64 HD1 TYR 9 HD2 TYR 9 1.466 0.247 0.591
65 HD2 TYR 9 HD1 TYR 9 2.252 -0.773 4.630
66 HE1 TYR 9 HE2 TYR 9 1.802 -2.098 -0.078
67 HE2 TYR 9 HE1 TYR 9 2.590 -3.126 3.988
68 HH TYR 9 HH TYR 9 1.786 -4.632 2.032
69 H GLN 10 H GLN 10 0.037 2.555 5.472
70 HA GLN 10 HA GLN 10 -0.101 5.431 4.822
71 HB2 GLN 10 HB3 GLN 10 -2.050 4.670 6.051
72 HB3 GLN 10 HB2 GLN 10 -1.032 3.903 7.260
73 HG2 GLN 10 HG3 GLN 10 -0.274 6.018 8.069
74 HG3 GLN 10 HG2 GLN 10 -1.074 6.874 6.751
75 HE21 GLN 10 HE22 GLN 10 -1.384 7.174 9.639
76 HE22 GLN 10 HE21 GLN 10 -3.073 6.922 9.956
77 H ALA 11 H ALA 11 1.507 6.715 5.529
78 HA ALA 11 HA ALA 11 3.889 5.356 6.371
79 HB1 ALA 11 HB1 ALA 11 5.041 7.331 5.844
80 HB2 ALA 11 HB2 ALA 11 3.583 8.301 5.994
81 HB3 ALA 11 HB3 ALA 11 3.754 7.185 4.643
82 H LEU 12 H LEU 12 4.989 5.534 8.203
83 HA LEU 12 HA LEU 12 3.507 6.064 10.578
84 HB2 LEU 12 HB3 LEU 12 6.444 5.464 10.261
85 HB3 LEU 12 HB2 LEU 12 5.481 5.253 11.712
86 HG LEU 12 HG LEU 12 4.854 3.744 9.194
87 HD11 LEU 12 HD11 LEU 12 6.781 2.972 11.373
88 HD12 LEU 12 HD12 LEU 12 7.162 3.286 9.677
89 HD13 LEU 12 HD13 LEU 12 6.178 1.887 10.116
90 HD21 LEU 12 HD21 LEU 12 4.297 3.272 12.116
91 HD22 LEU 12 HD22 LEU 12 3.866 2.171 10.806
92 HD23 LEU 12 HD23 LEU 12 3.141 3.776 10.882
93 H TYR 13 H TYR 13 5.966 7.741 8.757
94 HA TYR 13 HA TYR 13 5.818 10.021 10.575
95 HB2 TYR 13 HB3 TYR 13 8.472 8.864 9.709
96 HB3 TYR 13 HB2 TYR 13 8.223 10.262 10.738
97 HD1 TYR 13 HD2 TYR 13 7.446 9.970 13.064
98 HD2 TYR 13 HD1 TYR 13 8.399 6.640 10.598
99 HE1 TYR 13 HE2 TYR 13 7.586 8.538 15.060
100 HE2 TYR 13 HE1 TYR 13 8.545 5.199 12.583
101 HH TYR 13 HH TYR 13 7.614 6.351 15.765
102 H SER 14 H SER 14 6.604 11.947 9.605
103 HA SER 14 HA SER 14 6.267 12.111 6.779
104 HB2 SER 14 HB3 SER 14 7.425 14.216 8.620
105 HB3 SER 14 HB2 SER 14 6.664 14.464 7.049
106 HG SER 14 HG SER 14 5.315 14.885 8.938
107 H TYR 15 H TYR 15 7.742 12.233 5.199
108 HA TYR 15 HA TYR 15 10.584 11.956 5.917
109 HB2 TYR 15 HB3 TYR 15 9.766 9.824 5.159
110 HB3 TYR 15 HB2 TYR 15 8.999 10.548 3.772
111 HD1 TYR 15 HD1 TYR 15 10.313 11.250 1.855
112 HD2 TYR 15 HD2 TYR 15 12.138 9.307 5.156
113 HE1 TYR 15 HE1 TYR 15 12.270 10.743 0.453
114 HE2 TYR 15 HE2 TYR 15 14.111 8.802 3.775
115 HH TYR 15 HH TYR 15 14.491 10.100 0.539
116 H ILE 16 H ILE 16 11.936 13.266 4.908
117 HA ILE 16 HA ILE 16 10.835 15.126 2.921
118 HB ILE 16 HB ILE 16 13.325 15.393 4.614
119 HG12 ILE 16 HG13 ILE 16 11.275 15.560 5.949
120 HG13 ILE 16 HG12 ILE 16 12.070 17.120 5.809
121 HG21 ILE 16 HG21 ILE 16 12.006 17.535 2.976
122 HG22 ILE 16 HG22 ILE 16 13.295 16.515 2.344
123 HG23 ILE 16 HG23 ILE 16 13.602 17.560 3.732
124 HD11 ILE 16 HD11 ILE 16 10.458 17.991 4.451
125 HD12 ILE 16 HD12 ILE 16 9.510 16.951 5.518
126 HD13 ILE 16 HD13 ILE 16 9.947 16.405 3.897
127 HA PRO 17 HA PRO 17 12.890 12.853 -0.226
128 HB2 PRO 17 HB2 PRO 17 13.077 15.472 -1.603
129 HB3 PRO 17 HB3 PRO 17 12.345 13.961 -2.150
130 HG2 PRO 17 HG3 PRO 17 10.858 16.050 -1.356
131 HG3 PRO 17 HG2 PRO 17 10.359 14.374 -1.071
132 HD2 PRO 17 HD3 PRO 17 11.452 16.372 0.834
133 HD3 PRO 17 HD2 PRO 17 10.298 15.066 1.110
134 H GLN 18 H GLN 18 14.944 12.271 -0.435
135 HA GLN 18 HA GLN 18 17.079 14.188 0.145
136 HB2 GLN 18 HB3 GLN 18 17.291 11.251 -0.555
137 HB3 GLN 18 HB2 GLN 18 18.563 12.266 0.111
138 HG2 GLN 18 HG3 GLN 18 17.198 12.522 2.165
139 HG3 GLN 18 HG2 GLN 18 16.041 11.379 1.488
140 HE21 GLN 18 HE22 GLN 18 19.187 11.795 2.876
141 HE22 GLN 18 HE21 GLN 18 19.524 10.119 3.119
142 H ASN 19 H ASN 19 15.672 12.248 -2.370
143 HA ASN 19 HA ASN 19 17.277 13.668 -4.401
144 HB2 ASN 19 HB3 ASN 19 16.007 10.913 -4.471
145 HB3 ASN 19 HB2 ASN 19 16.664 11.715 -5.891
146 HD21 ASN 19 HD22 ASN 19 18.099 9.975 -6.152
147 HD22 ASN 19 HD21 ASN 19 19.526 9.843 -5.175
148 H ASP 20 H ASP 20 16.087 14.366 -6.298
149 HA ASP 20 HA ASP 20 13.424 15.222 -5.589
150 HB2 ASP 20 HB3 ASP 20 15.267 15.840 -7.862
151 HB3 ASP 20 HB2 ASP 20 13.553 16.218 -8.003
152 H ASP 21 H ASP 21 14.563 12.433 -6.833
153 HA ASP 21 HA ASP 21 12.232 11.864 -8.476
154 HB2 ASP 21 HB3 ASP 21 14.350 9.963 -7.441
155 HB3 ASP 21 HB2 ASP 21 13.145 9.611 -8.674
156 H GLU 22 H GLU 22 13.112 11.964 -5.253
157 HA GLU 22 HA GLU 22 11.295 9.894 -4.365
158 HB2 GLU 22 HB3 GLU 22 12.980 11.838 -2.779
159 HB3 GLU 22 HB2 GLU 22 12.105 10.456 -2.126
160 HG2 GLU 22 HG3 GLU 22 13.479 8.962 -3.513
161 HG3 GLU 22 HG2 GLU 22 14.386 10.361 -4.083
162 H LEU 23 H LEU 23 9.935 10.623 -2.375
163 HA LEU 23 HA LEU 23 8.223 12.783 -3.421
164 HB2 LEU 23 HB3 LEU 23 7.397 10.394 -3.390
165 HB3 LEU 23 HB2 LEU 23 7.450 10.485 -1.645
166 HG LEU 23 HG LEU 23 5.709 12.136 -1.606
167 HD11 LEU 23 HD11 LEU 23 4.630 12.919 -3.689
168 HD12 LEU 23 HD12 LEU 23 5.866 12.083 -4.617
169 HD13 LEU 23 HD13 LEU 23 6.314 13.434 -3.581
170 HD21 LEU 23 HD21 LEU 23 3.953 10.808 -2.926
171 HD22 LEU 23 HD22 LEU 23 4.851 9.974 -1.651
172 HD23 LEU 23 HD23 LEU 23 5.310 9.756 -3.338
173 H GLU 24 H GLU 24 7.556 14.416 -2.029
174 HA GLU 24 HA GLU 24 8.672 14.454 0.623
175 HB2 GLU 24 HB3 GLU 24 8.017 16.510 -0.879
176 HB3 GLU 24 HB2 GLU 24 6.415 16.252 -0.189
177 HG2 GLU 24 HG3 GLU 24 7.855 16.162 2.052
178 HG3 GLU 24 HG2 GLU 24 8.910 17.182 1.083
179 H LEU 25 H LEU 25 7.834 13.389 2.240
180 HA LEU 25 HA LEU 25 5.136 12.286 1.887
181 HB2 LEU 25 HB3 LEU 25 6.997 10.712 1.505
182 HB3 LEU 25 HB2 LEU 25 7.606 11.052 3.105
183 HG LEU 25 HG LEU 25 6.360 8.869 2.735
184 HD11 LEU 25 HD11 LEU 25 5.159 9.098 4.938
185 HD12 LEU 25 HD12 LEU 25 5.731 10.766 4.937
186 HD13 LEU 25 HD13 LEU 25 6.887 9.444 4.920
187 HD21 LEU 25 HD21 LEU 25 3.854 9.180 3.129
188 HD22 LEU 25 HD22 LEU 25 4.479 9.472 1.502
189 HD23 LEU 25 HD23 LEU 25 4.122 10.832 2.563
190 H ARG 26 H ARG 26 3.758 12.425 3.613
191 HA ARG 26 HA ARG 26 4.866 13.655 6.049
192 HB2 ARG 26 HB3 ARG 26 2.150 14.036 4.795
193 HB3 ARG 26 HB2 ARG 26 2.588 14.626 6.392
194 HG2 ARG 26 HG3 ARG 26 3.894 15.410 3.798
195 HG3 ARG 26 HG2 ARG 26 2.765 16.390 4.735
196 HD2 ARG 26 HD3 ARG 26 4.299 16.507 6.564
197 HD3 ARG 26 HD2 ARG 26 5.394 15.373 5.779
198 HE ARG 26 HE ARG 26 5.410 17.276 3.970
199 HH11 ARG 26 HH11 ARG 26 5.407 17.636 7.454
200 HH12 ARG 26 HH12 ARG 26 6.330 19.111 7.426
201 HH21 ARG 26 HH22 ARG 26 6.633 19.181 3.918
202 HH22 ARG 26 HH21 ARG 26 7.072 19.974 5.407
203 H ASP 27 H ASP 27 4.001 13.002 8.053
204 HA ASP 27 HA ASP 27 3.544 10.268 8.298
205 HB2 ASP 27 HB3 ASP 27 3.004 10.645 10.616
206 HB3 ASP 27 HB2 ASP 27 4.338 11.679 10.149
207 H GLY 28 H GLY 28 1.820 9.011 8.364
208 HA2 GLY 28 HA3 GLY 28 -0.363 8.309 8.139
209 HA3 GLY 28 HA2 GLY 28 -0.879 9.920 8.600
210 H ASP 29 H ASP 29 1.206 9.200 5.878
211 HA ASP 29 HA ASP 29 -0.949 10.047 4.067
212 HB2 ASP 29 HB3 ASP 29 1.152 11.408 4.085
213 HB3 ASP 29 HB2 ASP 29 2.026 9.979 3.530
214 H ILE 30 H ILE 30 -1.269 8.841 2.097
215 HA ILE 30 HA ILE 30 -0.649 6.011 2.556
216 HB ILE 30 HB ILE 30 -2.829 7.284 0.888
217 HG12 ILE 30 HG13 ILE 30 -4.306 6.044 2.513
218 HG13 ILE 30 HG12 ILE 30 -2.875 5.715 3.473
219 HG21 ILE 30 HG21 ILE 30 -2.330 4.351 1.367
220 HG22 ILE 30 HG22 ILE 30 -1.971 5.203 -0.131
221 HG23 ILE 30 HG23 ILE 30 -3.639 5.058 0.421
222 HD11 ILE 30 HD11 ILE 30 -4.236 7.592 4.309
223 HD12 ILE 30 HD12 ILE 30 -3.887 8.470 2.816
224 HD13 ILE 30 HD13 ILE 30 -2.575 8.039 3.919
225 H VAL 31 H VAL 31 0.469 4.824 1.118
226 HA VAL 31 HA VAL 31 1.491 6.259 -1.241
227 HB VAL 31 HB VAL 31 3.267 5.719 0.302
228 HG11 VAL 31 HG11 VAL 31 2.362 2.857 0.067
229 HG12 VAL 31 HG12 VAL 31 2.232 3.883 1.495
230 HG13 VAL 31 HG13 VAL 31 3.819 3.405 0.894
231 HG21 VAL 31 HG21 VAL 31 3.838 5.598 -2.041
232 HG22 VAL 31 HG22 VAL 31 3.310 3.916 -2.114
233 HG23 VAL 31 HG23 VAL 31 4.721 4.358 -1.152
234 H ASP 32 H ASP 32 1.464 5.360 -3.197
235 HA ASP 32 HA ASP 32 0.396 2.650 -3.560
236 HB2 ASP 32 HB3 ASP 32 -1.445 4.242 -3.964
237 HB3 ASP 32 HB2 ASP 32 -0.437 5.113 -5.112
238 H VAL 33 H VAL 33 1.787 1.489 -4.799
239 HA VAL 33 HA VAL 33 4.156 2.868 -5.563
240 HB VAL 33 HB VAL 33 4.902 0.974 -4.698
241 HG11 VAL 33 HG11 VAL 33 2.308 -0.247 -5.508
242 HG12 VAL 33 HG12 VAL 33 3.000 0.026 -3.904
243 HG13 VAL 33 HG13 VAL 33 3.650 -1.243 -4.939
244 HG21 VAL 33 HG21 VAL 33 4.375 0.116 -7.526
245 HG22 VAL 33 HG22 VAL 33 5.286 -0.871 -6.379
246 HG23 VAL 33 HG23 VAL 33 5.870 0.732 -6.818
247 H MET 34 H MET 34 4.743 3.613 -7.354
248 HA MET 34 HA MET 34 3.214 3.140 -9.788
249 HB2 MET 34 HB3 MET 34 5.473 5.071 -9.191
250 HB3 MET 34 HB2 MET 34 4.576 5.001 -10.704
251 HG2 MET 34 HG3 MET 34 3.296 5.544 -8.046
252 HG3 MET 34 HG2 MET 34 3.918 6.814 -9.093
253 HE1 MET 34 HE1 MET 34 0.180 4.224 -9.896
254 HE2 MET 34 HE2 MET 34 0.969 4.415 -8.333
255 HE3 MET 34 HE3 MET 34 1.759 3.492 -9.609
256 H GLU 35 H GLU 35 6.339 2.556 -8.395
257 HA GLU 35 HA GLU 35 6.981 0.596 -10.414
258 HB2 GLU 35 HB3 GLU 35 7.826 2.810 -11.325
259 HB3 GLU 35 HB2 GLU 35 8.931 2.861 -9.957
260 HG2 GLU 35 HG3 GLU 35 10.051 2.009 -11.926
261 HG3 GLU 35 HG2 GLU 35 9.929 0.757 -10.689
262 H LYS 36 H LYS 36 8.407 -0.933 -9.639
263 HA LYS 36 HA LYS 36 9.025 -0.647 -6.795
264 HB2 LYS 36 HB3 LYS 36 9.102 -3.311 -7.324
265 HB3 LYS 36 HB2 LYS 36 7.710 -2.467 -6.673
266 HG2 LYS 36 HG3 LYS 36 6.898 -3.763 -8.443
267 HG3 LYS 36 HG2 LYS 36 7.027 -2.135 -9.108
268 HD2 LYS 36 HD3 LYS 36 9.141 -2.708 -10.160
269 HD3 LYS 36 HD2 LYS 36 9.091 -4.315 -9.431
270 HE2 LYS 36 HE3 LYS 36 7.028 -4.788 -10.666
271 HE3 LYS 36 HE2 LYS 36 7.131 -3.199 -11.422
272 HZ1 LYS 36 HZ1 LYS 36 8.006 -4.961 -12.846
273 HZ2 LYS 36 HZ2 LYS 36 9.167 -5.351 -11.672
274 HZ3 LYS 36 HZ3 LYS 36 9.213 -3.837 -12.441
275 H CYS 37 H CYS 37 11.080 -0.610 -6.202
276 HA CYS 37 HA CYS 37 13.169 -1.562 -7.999
277 HB2 CYS 37 HB3 CYS 37 13.398 -0.388 -5.213
278 HB3 CYS 37 HB2 CYS 37 14.715 -0.636 -6.356
279 HG CYS 37 HG CYS 37 12.361 1.790 -6.299
280 H ASP 38 H ASP 38 14.611 -3.219 -7.421
281 HA ASP 38 HA ASP 38 13.220 -5.511 -6.622
282 HB2 ASP 38 HB3 ASP 38 16.187 -5.133 -6.955
283 HB3 ASP 38 HB2 ASP 38 15.367 -6.686 -6.862
284 H ASP 39 H ASP 39 15.147 -3.332 -4.750
285 HA ASP 39 HA ASP 39 15.690 -5.182 -2.631
286 HB2 ASP 39 HB3 ASP 39 17.138 -3.229 -3.091
287 HB3 ASP 39 HB2 ASP 39 15.825 -2.164 -2.600
288 H GLY 40 H GLY 40 13.028 -3.173 -3.482
289 HA2 GLY 40 HA3 GLY 40 10.933 -3.729 -2.294
290 HA3 GLY 40 HA2 GLY 40 11.860 -3.630 -0.805
291 H TRP 41 H TRP 41 12.760 -1.294 -3.079
292 HA TRP 41 HA TRP 41 11.320 0.783 -1.608
293 HB2 TRP 41 HB3 TRP 41 13.554 0.945 -3.652
294 HB3 TRP 41 HB2 TRP 41 12.805 2.337 -2.895
295 HD1 TRP 41 HD1 TRP 41 14.182 -0.905 -1.294
296 HE1 TRP 41 HE1 TRP 41 15.870 -0.241 0.529
297 HE3 TRP 41 HE3 TRP 41 14.060 4.162 -1.915
298 HZ2 TRP 41 HZ2 TRP 41 17.000 2.134 1.567
299 HZ3 TRP 41 HZ3 TRP 41 15.480 5.563 -0.473
300 HH2 TRP 41 HH2 TRP 41 16.919 4.567 1.232
301 H PHE 42 H PHE 42 9.451 1.581 -2.473
302 HA PHE 42 HA PHE 42 9.102 1.154 -5.368
303 HB2 PHE 42 HB3 PHE 42 6.739 1.511 -3.528
304 HB3 PHE 42 HB2 PHE 42 6.828 0.722 -5.086
305 HD1 PHE 42 HD1 PHE 42 8.493 -1.367 -5.113
306 HD2 PHE 42 HD2 PHE 42 6.480 0.158 -1.693
307 HE1 PHE 42 HE1 PHE 42 8.684 -3.567 -4.025
308 HE2 PHE 42 HE2 PHE 42 6.668 -2.036 -0.596
309 HZ PHE 42 HZ PHE 42 7.773 -3.904 -1.764
310 H VAL 43 H VAL 43 7.879 2.747 -6.513
311 HA VAL 43 HA VAL 43 8.206 5.450 -5.474
312 HB VAL 43 HB VAL 43 6.962 4.690 -8.107
313 HG11 VAL 43 HG11 VAL 43 8.346 7.172 -7.145
314 HG12 VAL 43 HG12 VAL 43 6.641 6.970 -7.543
315 HG13 VAL 43 HG13 VAL 43 7.856 6.887 -8.814
316 HG21 VAL 43 HG21 VAL 43 9.804 5.453 -8.106
317 HG22 VAL 43 HG22 VAL 43 8.951 4.284 -9.109
318 HG23 VAL 43 HG23 VAL 43 9.446 3.856 -7.467
319 H GLY 44 H GLY 44 6.293 6.885 -5.555
320 HA2 GLY 44 HA3 GLY 44 3.743 5.542 -5.271
321 HA3 GLY 44 HA2 GLY 44 4.448 6.092 -3.760
322 H THR 45 H THR 45 1.986 6.959 -4.961
323 HA THR 45 HA THR 45 2.679 9.742 -5.591
324 HB THR 45 HB THR 45 -0.035 8.432 -5.931
325 HG1 THR 45 HG1 THR 45 1.202 8.728 -8.274
326 HG21 THR 45 HG21 THR 45 1.185 10.782 -7.376
327 HG22 THR 45 HG22 THR 45 0.167 10.938 -5.946
328 HG23 THR 45 HG23 THR 45 -0.492 10.242 -7.425
329 H SER 46 H SER 46 2.252 11.267 -4.114
330 HA SER 46 HA SER 46 1.187 10.488 -1.557
331 HB2 SER 46 HB3 SER 46 3.082 12.026 -1.673
332 HB3 SER 46 HB2 SER 46 2.113 13.179 -2.591
333 HG SER 46 HG SER 46 1.674 12.322 0.096
334 H ARG 47 H ARG 47 -0.750 10.875 -0.731
335 HA ARG 47 HA ARG 47 -2.932 11.611 -2.354
336 HB2 ARG 47 HB3 ARG 47 -2.494 10.943 0.508
337 HB3 ARG 47 HB2 ARG 47 -4.002 11.732 0.075
338 HG2 ARG 47 HG3 ARG 47 -4.198 9.294 0.147
339 HG3 ARG 47 HG2 ARG 47 -4.539 9.954 -1.452
340 HD2 ARG 47 HD3 ARG 47 -2.044 9.432 -1.916
341 HD3 ARG 47 HD2 ARG 47 -2.191 8.360 -0.524
342 HE ARG 47 HE ARG 47 -4.323 7.904 -2.326
343 HH11 ARG 47 HH11 ARG 47 -0.885 7.319 -1.974
344 HH12 ARG 47 HH12 ARG 47 -0.905 5.914 -2.994
345 HH21 ARG 47 HH22 ARG 47 -4.349 6.089 -3.661
346 HH22 ARG 47 HH21 ARG 47 -2.886 5.208 -3.959
347 H ARG 48 H ARG 48 -0.643 13.501 -0.864
348 HA ARG 48 HA ARG 48 -2.307 15.664 0.005
349 HB2 ARG 48 HB3 ARG 48 0.661 15.442 -0.462
350 HB3 ARG 48 HB2 ARG 48 -0.124 16.839 0.262
351 HG2 ARG 48 HG3 ARG 48 -0.806 15.546 2.159
352 HG3 ARG 48 HG2 ARG 48 -0.233 14.055 1.400
353 HD2 ARG 48 HD3 ARG 48 1.333 14.971 3.095
354 HD3 ARG 48 HD2 ARG 48 2.041 14.821 1.487
355 HE ARG 48 HE ARG 48 0.927 17.407 2.322
356 HH11 ARG 48 HH11 ARG 48 3.723 15.448 1.504
357 HH12 ARG 48 HH12 ARG 48 4.787 16.812 1.357
358 HH21 ARG 48 HH22 ARG 48 2.312 19.197 2.048
359 HH22 ARG 48 HH21 ARG 48 3.979 18.936 1.615
360 H THR 49 H THR 49 0.415 15.951 -2.217
361 HA THR 49 HA THR 49 -1.043 18.023 -3.656
362 HB THR 49 HB THR 49 1.127 18.642 -2.778
363 HG1 THR 49 HG1 THR 49 0.567 18.683 -5.448
364 HG21 THR 49 HG21 THR 49 2.276 16.439 -4.489
365 HG22 THR 49 HG22 THR 49 2.120 16.392 -2.731
366 HG23 THR 49 HG23 THR 49 3.188 17.572 -3.493
367 H LYS 50 H LYS 50 -0.961 14.879 -3.998
368 HA LYS 50 HA LYS 50 -1.226 13.377 -5.646
369 HB2 LYS 50 HB3 LYS 50 -2.141 15.891 -6.952
370 HB3 LYS 50 HB2 LYS 50 -2.078 14.395 -7.868
371 HG2 LYS 50 HG3 LYS 50 -4.292 14.829 -6.942
372 HG3 LYS 50 HG2 LYS 50 -3.592 13.346 -6.321
373 HD2 LYS 50 HD3 LYS 50 -3.026 14.431 -4.244
374 HD3 LYS 50 HD2 LYS 50 -3.572 15.978 -4.880
375 HE2 LYS 50 HE3 LYS 50 -5.853 15.029 -5.108
376 HE3 LYS 50 HE2 LYS 50 -5.273 13.547 -4.347
377 HZ1 LYS 50 HZ1 LYS 50 -5.419 16.250 -3.123
378 HZ2 LYS 50 HZ2 LYS 50 -4.652 14.925 -2.394
379 HZ3 LYS 50 HZ3 LYS 50 -6.318 14.882 -2.692
380 H GLN 51 H GLN 51 1.455 14.591 -5.354
381 HA GLN 51 HA GLN 51 2.505 14.161 -8.043
382 HB2 GLN 51 HB3 GLN 51 3.760 15.222 -5.524
383 HB3 GLN 51 HB2 GLN 51 4.720 14.755 -6.921
384 HG2 GLN 51 HG3 GLN 51 3.444 16.367 -8.281
385 HG3 GLN 51 HG2 GLN 51 2.605 16.873 -6.818
386 HE21 GLN 51 HE22 GLN 51 5.003 16.562 -5.170
387 HE22 GLN 51 HE21 GLN 51 6.020 17.912 -5.537
388 H PHE 52 H PHE 52 4.463 12.790 -8.205
389 HA PHE 52 HA PHE 52 4.103 10.419 -6.514
390 HB2 PHE 52 HB3 PHE 52 4.291 8.975 -8.333
391 HB3 PHE 52 HB2 PHE 52 3.216 10.243 -8.887
392 HD1 PHE 52 HD1 PHE 52 6.529 8.812 -9.128
393 HD2 PHE 52 HD2 PHE 52 3.847 11.684 -10.715
394 HE1 PHE 52 HE1 PHE 52 8.000 9.075 -11.103
395 HE2 PHE 52 HE2 PHE 52 5.298 11.976 -12.683
396 HZ PHE 52 HZ PHE 52 7.380 10.669 -12.879
397 H GLY 53 H GLY 53 5.748 9.864 -5.396
398 HA2 GLY 53 HA3 GLY 53 8.468 10.351 -6.422
399 HA3 GLY 53 HA2 GLY 53 8.027 10.885 -4.804
400 H THR 54 H THR 54 10.088 8.958 -5.446
401 HA THR 54 HA THR 54 8.856 6.473 -4.491
402 HB THR 54 HB THR 54 10.221 6.284 -6.508
403 HG1 THR 54 HG1 THR 54 10.227 4.672 -4.588
404 HG21 THR 54 HG21 THR 54 12.593 7.023 -4.783
405 HG22 THR 54 HG22 THR 54 11.826 8.127 -5.923
406 HG23 THR 54 HG23 THR 54 12.598 6.654 -6.506
407 H PHE 55 H PHE 55 9.490 5.454 -2.620
408 HA PHE 55 HA PHE 55 11.725 6.355 -1.085
409 HB2 PHE 55 HB3 PHE 55 10.439 6.991 0.939
410 HB3 PHE 55 HB2 PHE 55 10.193 8.101 -0.396
411 HD1 PHE 55 HD1 PHE 55 8.021 8.169 -1.571
412 HD2 PHE 55 HD2 PHE 55 8.669 5.683 1.828
413 HE1 PHE 55 HE1 PHE 55 5.592 7.928 -1.285
414 HE2 PHE 55 HE2 PHE 55 6.238 5.435 2.112
415 HZ PHE 55 HZ PHE 55 4.698 6.559 0.556
416 HA PRO 56 HA PRO 56 11.848 2.297 0.477
417 HB2 PRO 56 HB2 PRO 56 11.595 3.199 3.291
418 HB3 PRO 56 HB3 PRO 56 12.872 2.254 2.521
419 HG2 PRO 56 HG3 PRO 56 13.235 4.826 3.175
420 HG3 PRO 56 HG2 PRO 56 13.957 4.123 1.715
421 HD2 PRO 56 HD3 PRO 56 11.603 5.934 1.982
422 HD3 PRO 56 HD2 PRO 56 12.821 5.838 0.695
423 H GLY 57 H GLY 57 10.364 0.727 0.569
424 HA2 GLY 57 HA3 GLY 57 7.684 1.299 1.500
425 HA3 GLY 57 HA2 GLY 57 8.239 -0.194 0.754
426 H ASN 58 H ASN 58 10.480 0.270 3.000
427 HA ASN 58 HA ASN 58 9.138 -1.473 4.924
428 HB2 ASN 58 HB3 ASN 58 11.319 -1.972 5.796
429 HB3 ASN 58 HB2 ASN 58 11.448 -2.008 4.042
430 HD21 ASN 58 HD22 ASN 58 12.633 -0.412 2.987
431 HD22 ASN 58 HD21 ASN 58 13.713 0.643 3.841
432 H TYR 59 H TYR 59 8.900 1.576 4.534
433 HA TYR 59 HA TYR 59 9.627 2.417 7.254
434 HB2 TYR 59 HB3 TYR 59 11.093 3.529 5.797
435 HB3 TYR 59 HB2 TYR 59 9.870 3.719 4.557
436 HD1 TYR 59 HD1 TYR 59 8.248 5.485 4.686
437 HD2 TYR 59 HD2 TYR 59 11.348 5.142 7.569
438 HE1 TYR 59 HE1 TYR 59 7.879 7.843 5.359
439 HE2 TYR 59 HE2 TYR 59 10.985 7.471 8.264
440 HH TYR 59 HH TYR 59 8.275 9.304 7.230
441 H VAL 60 H VAL 60 7.204 1.501 5.397
442 HA VAL 60 HA VAL 60 5.266 3.436 6.463
443 HB VAL 60 HB VAL 60 5.674 3.646 4.002
444 HG11 VAL 60 HG11 VAL 60 4.589 1.878 2.565
445 HG12 VAL 60 HG12 VAL 60 4.652 0.839 3.990
446 HG13 VAL 60 HG13 VAL 60 6.142 1.472 3.292
447 HG21 VAL 60 HG21 VAL 60 3.251 3.540 3.364
448 HG22 VAL 60 HG22 VAL 60 3.647 4.496 4.796
449 HG23 VAL 60 HG23 VAL 60 2.965 2.883 4.976
450 H LYS 61 H LYS 61 3.087 2.471 6.874
451 HA LYS 61 HA LYS 61 3.277 -0.438 7.328
452 HB2 LYS 61 HB3 LYS 61 2.136 -0.272 9.381
453 HB3 LYS 61 HB2 LYS 61 3.331 1.013 9.420
454 HG2 LYS 61 HG3 LYS 61 1.705 2.676 9.075
455 HG3 LYS 61 HG2 LYS 61 0.489 1.493 8.595
456 HD2 LYS 61 HD3 LYS 61 1.723 1.617 11.335
457 HD3 LYS 61 HD2 LYS 61 0.199 2.395 10.915
458 HE2 LYS 61 HE3 LYS 61 0.693 -0.542 10.502
459 HE3 LYS 61 HE2 LYS 61 0.070 0.102 12.022
460 HZ1 LYS 61 HZ1 LYS 61 -1.211 0.385 9.352
461 HZ2 LYS 61 HZ2 LYS 61 -1.809 1.032 10.803
462 HZ3 LYS 61 HZ3 LYS 61 -1.719 -0.649 10.597
463 HA PRO 62 HA PRO 62 -0.381 -1.179 4.992
464 HB2 PRO 62 HB2 PRO 62 -1.751 -2.824 6.751
465 HB3 PRO 62 HB3 PRO 62 -0.464 -3.362 5.664
466 HG2 PRO 62 HG3 PRO 62 -0.293 -2.572 8.556
467 HG3 PRO 62 HG2 PRO 62 0.439 -3.963 7.739
468 HD2 PRO 62 HD3 PRO 62 1.909 -1.847 8.283
469 HD3 PRO 62 HD2 PRO 62 2.066 -2.636 6.695
470 H LEU 63 H LEU 63 -2.398 -0.367 4.716
471 HA LEU 63 HA LEU 63 -3.409 1.620 6.424
472 HB2 LEU 63 HB3 LEU 63 -4.697 0.095 4.164
473 HB3 LEU 63 HB2 LEU 63 -5.459 1.448 4.980
474 HG LEU 63 HG LEU 63 -2.890 1.545 3.399
475 HD11 LEU 63 HD11 LEU 63 -5.690 2.501 2.856
476 HD12 LEU 63 HD12 LEU 63 -4.691 1.425 1.877
477 HD13 LEU 63 HD13 LEU 63 -4.284 3.133 2.002
478 HD21 LEU 63 HD21 LEU 63 -4.381 3.732 4.828
479 HD22 LEU 63 HD22 LEU 63 -2.939 3.930 3.830
480 HD23 LEU 63 HD23 LEU 63 -2.852 3.010 5.332
481 H TYR 64 H TYR 64 -5.300 1.655 7.675
482 HA TYR 64 HA TYR 64 -5.778 -0.839 9.020
483 HB2 TYR 64 HB3 TYR 64 -6.972 0.571 10.680
484 HB3 TYR 64 HB2 TYR 64 -5.278 0.973 10.486
485 HD1 TYR 64 HD1 TYR 64 -4.788 2.894 8.822
486 HD2 TYR 64 HD2 TYR 64 -8.558 2.257 10.662
487 HE1 TYR 64 HE1 TYR 64 -5.377 5.256 8.418
488 HE2 TYR 64 HE2 TYR 64 -9.163 4.604 10.264
489 HH TYR 64 HH TYR 64 -7.971 6.778 9.913
Start of MODEL 14
1 H1 GLN 1 H1 GLN 1 -3.559 -16.947 -14.834
2 H2 GLN 1 H2 GLN 1 -3.715 -15.996 -16.229
3 H3 GLN 1 H3 GLN 1 -4.816 -17.245 -15.935
4 HA GLN 1 HA GLN 1 -5.776 -15.078 -15.456
5 HB2 GLN 1 HB3 GLN 1 -5.284 -16.717 -12.963
6 HB3 GLN 1 HB2 GLN 1 -6.609 -15.592 -13.221
7 HG2 GLN 1 HG3 GLN 1 -7.471 -17.024 -15.006
8 HG3 GLN 1 HG2 GLN 1 -6.144 -18.152 -14.732
9 HE21 GLN 1 HE22 GLN 1 -6.245 -17.726 -11.820
10 HE22 GLN 1 HE21 GLN 1 -7.631 -18.607 -11.273
11 H THR 2 H THR 2 -4.649 -13.187 -15.526
12 HA THR 2 HA THR 2 -2.590 -12.493 -13.688
13 HB THR 2 HB THR 2 -4.385 -10.608 -15.237
14 HG1 THR 2 HG1 THR 2 -3.423 -11.440 -16.932
15 HG21 THR 2 HG21 THR 2 -2.474 -9.075 -15.097
16 HG22 THR 2 HG22 THR 2 -1.584 -10.266 -14.148
17 HG23 THR 2 HG23 THR 2 -3.044 -9.526 -13.490
18 H SER 3 H SER 3 -2.975 -12.434 -11.555
19 HA SER 3 HA SER 3 -5.529 -11.273 -10.652
20 HB2 SER 3 HB3 SER 3 -4.054 -13.587 -9.378
21 HB3 SER 3 HB2 SER 3 -5.606 -12.921 -8.867
22 HG SER 3 HG SER 3 -5.056 -14.154 -11.368
23 H GLN 4 H GLN 4 -5.470 -10.574 -8.362
24 HA GLN 4 HA GLN 4 -4.656 -9.446 -6.593
25 HB2 GLN 4 HB3 GLN 4 -2.020 -10.521 -7.546
26 HB3 GLN 4 HB2 GLN 4 -2.162 -9.464 -6.150
27 HG2 GLN 4 HG3 GLN 4 -3.781 -11.138 -5.199
28 HG3 GLN 4 HG2 GLN 4 -3.295 -12.222 -6.505
29 HE21 GLN 4 HE22 GLN 4 -2.303 -10.590 -3.609
30 HE22 GLN 4 HE21 GLN 4 -0.871 -11.517 -3.325
31 H ASP 5 H ASP 5 -4.558 -7.373 -6.331
32 HA ASP 5 HA ASP 5 -3.350 -5.693 -8.404
33 HB2 ASP 5 HB3 ASP 5 -5.198 -5.026 -6.115
34 HB3 ASP 5 HB2 ASP 5 -4.507 -3.827 -7.196
35 H LEU 6 H LEU 6 -2.540 -3.489 -7.129
36 HA LEU 6 HA LEU 6 -0.304 -4.367 -5.565
37 HB2 LEU 6 HB3 LEU 6 -1.273 -1.644 -6.425
38 HB3 LEU 6 HB2 LEU 6 0.166 -1.904 -5.466
39 HG LEU 6 HG LEU 6 -0.143 -3.254 -8.118
40 HD11 LEU 6 HD11 LEU 6 1.358 -1.196 -8.794
41 HD12 LEU 6 HD12 LEU 6 0.431 -0.412 -7.509
42 HD13 LEU 6 HD13 LEU 6 -0.401 -1.121 -8.888
43 HD21 LEU 6 HD21 LEU 6 2.307 -2.257 -6.687
44 HD22 LEU 6 HD22 LEU 6 2.216 -3.399 -8.025
45 HD23 LEU 6 HD23 LEU 6 1.635 -3.864 -6.426
46 H PHE 7 H PHE 7 0.067 -2.515 -3.677
47 HA PHE 7 HA PHE 7 -2.292 -2.694 -1.937
48 HB2 PHE 7 HB3 PHE 7 0.568 -3.085 -1.046
49 HB3 PHE 7 HB2 PHE 7 -0.857 -3.198 -0.043
50 HD1 PHE 7 HD2 PHE 7 -2.622 -4.996 -0.810
51 HD2 PHE 7 HD1 PHE 7 1.490 -4.995 -1.854
52 HE1 PHE 7 HE2 PHE 7 -2.746 -7.411 -1.265
53 HE2 PHE 7 HE1 PHE 7 1.384 -7.413 -2.323
54 HZ PHE 7 HZ PHE 7 -0.743 -8.623 -2.025
55 H SER 8 H SER 8 -2.290 -1.127 -0.211
56 HA SER 8 HA SER 8 -0.680 1.262 -0.800
57 HB2 SER 8 HB3 SER 8 -3.485 1.302 0.282
58 HB3 SER 8 HB2 SER 8 -2.535 2.671 -0.280
59 HG SER 8 HG SER 8 -2.922 0.616 -2.104
60 H TYR 9 H TYR 9 0.055 2.400 0.973
61 HA TYR 9 HA TYR 9 -0.258 1.050 3.568
62 HB2 TYR 9 HB3 TYR 9 2.338 2.200 2.495
63 HB3 TYR 9 HB2 TYR 9 2.101 1.425 4.047
64 HD1 TYR 9 HD2 TYR 9 1.732 0.652 0.392
65 HD2 TYR 9 HD1 TYR 9 2.702 -0.735 4.282
66 HE1 TYR 9 HE2 TYR 9 2.395 -1.515 -0.562
67 HE2 TYR 9 HE1 TYR 9 3.372 -2.916 3.351
68 HH TYR 9 HH TYR 9 2.967 -4.273 1.372
69 H GLN 10 H GLN 10 0.038 2.425 5.412
70 HA GLN 10 HA GLN 10 -0.284 5.305 4.821
71 HB2 GLN 10 HB3 GLN 10 -2.162 4.155 6.076
72 HB3 GLN 10 HB2 GLN 10 -1.025 3.874 7.388
73 HG2 GLN 10 HG3 GLN 10 -0.705 6.316 7.600
74 HG3 GLN 10 HG2 GLN 10 -1.903 6.556 6.329
75 HE21 GLN 10 HE22 GLN 10 -4.063 6.167 6.760
76 HE22 GLN 10 HE21 GLN 10 -4.670 6.010 8.372
77 H ALA 11 H ALA 11 1.240 6.652 5.556
78 HA ALA 11 HA ALA 11 3.686 5.429 6.426
79 HB1 ALA 11 HB1 ALA 11 4.730 7.410 5.826
80 HB2 ALA 11 HB2 ALA 11 3.282 8.366 6.103
81 HB3 ALA 11 HB3 ALA 11 3.375 7.300 4.704
82 H LEU 12 H LEU 12 4.748 5.672 8.285
83 HA LEU 12 HA LEU 12 3.191 6.097 10.626
84 HB2 LEU 12 HB3 LEU 12 6.185 5.835 10.425
85 HB3 LEU 12 HB2 LEU 12 5.176 5.455 11.807
86 HG LEU 12 HG LEU 12 4.891 3.959 9.218
87 HD11 LEU 12 HD11 LEU 12 6.795 3.379 11.480
88 HD12 LEU 12 HD12 LEU 12 7.207 3.787 9.811
89 HD13 LEU 12 HD13 LEU 12 6.398 2.260 10.172
90 HD21 LEU 12 HD21 LEU 12 4.211 3.363 12.093
91 HD22 LEU 12 HD22 LEU 12 4.108 2.184 10.782
92 HD23 LEU 12 HD23 LEU 12 3.092 3.625 10.755
93 H TYR 13 H TYR 13 5.592 7.918 8.867
94 HA TYR 13 HA TYR 13 5.054 10.307 10.440
95 HB2 TYR 13 HB3 TYR 13 7.840 9.134 10.124
96 HB3 TYR 13 HB2 TYR 13 7.502 10.755 10.717
97 HD1 TYR 13 HD2 TYR 13 6.098 10.970 12.834
98 HD2 TYR 13 HD1 TYR 13 7.900 7.321 11.596
99 HE1 TYR 13 HE2 TYR 13 5.892 10.101 15.119
100 HE2 TYR 13 HE1 TYR 13 7.698 6.440 13.883
101 HH TYR 13 HH TYR 13 7.535 7.419 16.219
102 H SER 14 H SER 14 6.648 12.085 9.412
103 HA SER 14 HA SER 14 6.022 11.972 6.570
104 HB2 SER 14 HB3 SER 14 6.483 14.460 6.703
105 HB3 SER 14 HB2 SER 14 5.123 13.881 7.647
106 HG SER 14 HG SER 14 6.121 14.342 9.442
107 H TYR 15 H TYR 15 7.474 12.085 4.983
108 HA TYR 15 HA TYR 15 10.327 11.928 5.707
109 HB2 TYR 15 HB3 TYR 15 9.246 9.887 4.649
110 HB3 TYR 15 HB2 TYR 15 8.971 10.867 3.229
111 HD1 TYR 15 HD2 TYR 15 11.714 9.483 5.327
112 HD2 TYR 15 HD1 TYR 15 10.557 11.184 1.611
113 HE1 TYR 15 HE2 TYR 15 13.920 8.919 4.385
114 HE2 TYR 15 HE1 TYR 15 12.743 10.622 0.652
115 HH TYR 15 HH TYR 15 14.804 9.907 1.078
116 H ILE 16 H ILE 16 11.719 13.330 4.756
117 HA ILE 16 HA ILE 16 10.627 15.185 2.755
118 HB ILE 16 HB ILE 16 13.093 15.478 4.478
119 HG12 ILE 16 HG13 ILE 16 11.022 15.652 5.778
120 HG13 ILE 16 HG12 ILE 16 11.812 17.210 5.636
121 HG21 ILE 16 HG21 ILE 16 11.810 17.627 2.836
122 HG22 ILE 16 HG22 ILE 16 13.046 16.568 2.171
123 HG23 ILE 16 HG23 ILE 16 13.422 17.599 3.552
124 HD11 ILE 16 HD11 ILE 16 10.218 18.067 4.250
125 HD12 ILE 16 HD12 ILE 16 9.258 17.021 5.299
126 HD13 ILE 16 HD13 ILE 16 9.729 16.473 3.693
127 HA PRO 17 HA PRO 17 12.811 12.839 -0.292
128 HB2 PRO 17 HB2 PRO 17 12.720 15.370 -1.825
129 HB3 PRO 17 HB3 PRO 17 12.102 13.772 -2.251
130 HG2 PRO 17 HG3 PRO 17 10.460 15.766 -1.547
131 HG3 PRO 17 HG2 PRO 17 10.126 14.081 -1.111
132 HD2 PRO 17 HD3 PRO 17 11.142 16.309 0.589
133 HD3 PRO 17 HD2 PRO 17 10.069 14.967 1.009
134 H GLN 18 H GLN 18 14.935 12.444 -0.513
135 HA GLN 18 HA GLN 18 16.906 14.501 0.005
136 HB2 GLN 18 HB3 GLN 18 17.378 11.752 -1.158
137 HB3 GLN 18 HB2 GLN 18 18.552 12.784 -0.360
138 HG2 GLN 18 HG3 GLN 18 17.400 12.482 1.753
139 HG3 GLN 18 HG2 GLN 18 16.182 11.485 0.958
140 HE21 GLN 18 HE22 GLN 18 16.607 9.645 2.129
141 HE22 GLN 18 HE21 GLN 18 18.073 8.733 1.953
142 H ASN 19 H ASN 19 15.786 12.567 -2.718
143 HA ASN 19 HA ASN 19 17.036 14.484 -4.584
144 HB2 ASN 19 HB3 ASN 19 16.276 11.577 -4.928
145 HB3 ASN 19 HB2 ASN 19 16.771 12.610 -6.260
146 HD21 ASN 19 HD22 ASN 19 18.747 13.994 -4.481
147 HD22 ASN 19 HD21 ASN 19 20.070 12.883 -4.341
148 H ASP 20 H ASP 20 15.814 14.694 -6.668
149 HA ASP 20 HA ASP 20 13.138 15.519 -6.108
150 HB2 ASP 20 HB3 ASP 20 14.688 15.370 -8.696
151 HB3 ASP 20 HB2 ASP 20 13.064 16.038 -8.568
152 H ASP 21 H ASP 21 14.523 12.599 -7.105
153 HA ASP 21 HA ASP 21 12.277 11.523 -8.516
154 HB2 ASP 21 HB3 ASP 21 14.596 10.143 -7.143
155 HB3 ASP 21 HB2 ASP 21 13.389 9.317 -8.122
156 H GLU 22 H GLU 22 13.142 12.000 -5.247
157 HA GLU 22 HA GLU 22 11.388 9.965 -4.190
158 HB2 GLU 22 HB3 GLU 22 13.137 12.081 -2.968
159 HB3 GLU 22 HB2 GLU 22 11.996 11.168 -1.990
160 HG2 GLU 22 HG3 GLU 22 13.134 9.181 -2.288
161 HG3 GLU 22 HG2 GLU 22 13.983 9.760 -3.724
162 H LEU 23 H LEU 23 9.806 10.537 -2.539
163 HA LEU 23 HA LEU 23 8.078 12.680 -3.571
164 HB2 LEU 23 HB3 LEU 23 7.336 10.287 -3.642
165 HB3 LEU 23 HB2 LEU 23 7.369 10.288 -1.894
166 HG LEU 23 HG LEU 23 5.576 11.887 -1.797
167 HD11 LEU 23 HD11 LEU 23 4.507 12.748 -3.816
168 HD12 LEU 23 HD12 LEU 23 5.697 11.913 -4.810
169 HD13 LEU 23 HD13 LEU 23 6.201 13.233 -3.757
170 HD21 LEU 23 HD21 LEU 23 3.867 10.539 -3.143
171 HD22 LEU 23 HD22 LEU 23 4.823 9.687 -1.922
172 HD23 LEU 23 HD23 LEU 23 5.261 9.564 -3.624
173 H GLU 24 H GLU 24 7.266 14.226 -2.182
174 HA GLU 24 HA GLU 24 8.408 14.383 0.452
175 HB2 GLU 24 HB3 GLU 24 7.526 16.315 -1.166
176 HB3 GLU 24 HB2 GLU 24 6.028 16.028 -0.286
177 HG2 GLU 24 HG3 GLU 24 7.524 16.239 1.821
178 HG3 GLU 24 HG2 GLU 24 8.654 17.025 0.723
179 H LEU 25 H LEU 25 7.674 13.281 2.099
180 HA LEU 25 HA LEU 25 5.051 11.980 1.836
181 HB2 LEU 25 HB3 LEU 25 7.275 10.662 1.838
182 HB3 LEU 25 HB2 LEU 25 7.357 11.077 3.528
183 HG LEU 25 HG LEU 25 6.437 8.771 2.782
184 HD11 LEU 25 HD11 LEU 25 4.657 9.186 4.743
185 HD12 LEU 25 HD12 LEU 25 5.716 10.581 4.956
186 HD13 LEU 25 HD13 LEU 25 6.384 8.958 5.004
187 HD21 LEU 25 HD21 LEU 25 3.853 8.996 2.810
188 HD22 LEU 25 HD22 LEU 25 4.733 9.246 1.297
189 HD23 LEU 25 HD23 LEU 25 4.181 10.631 2.229
190 H ARG 26 H ARG 26 3.602 12.193 3.507
191 HA ARG 26 HA ARG 26 4.538 13.801 5.784
192 HB2 ARG 26 HB3 ARG 26 1.895 13.892 4.348
193 HB3 ARG 26 HB2 ARG 26 2.166 14.649 5.911
194 HG2 ARG 26 HG3 ARG 26 3.678 15.265 3.381
195 HG3 ARG 26 HG2 ARG 26 2.395 16.252 4.086
196 HD2 ARG 26 HD3 ARG 26 3.697 16.726 6.001
197 HD3 ARG 26 HD2 ARG 26 4.900 15.515 5.573
198 HE ARG 26 HE ARG 26 4.856 17.338 3.490
199 HH11 ARG 26 HH11 ARG 26 5.578 17.381 6.922
200 HH12 ARG 26 HH12 ARG 26 6.743 18.663 6.795
201 HH21 ARG 26 HH22 ARG 26 6.388 18.981 3.304
202 HH22 ARG 26 HH21 ARG 26 7.216 19.581 4.719
203 H ASP 27 H ASP 27 3.582 13.407 7.835
204 HA ASP 27 HA ASP 27 3.372 10.744 8.567
205 HB2 ASP 27 HB3 ASP 27 1.963 12.998 9.982
206 HB3 ASP 27 HB2 ASP 27 2.447 11.471 10.680
207 H GLY 28 H GLY 28 1.806 9.258 8.548
208 HA2 GLY 28 HA3 GLY 28 -0.196 8.228 8.144
209 HA3 GLY 28 HA2 GLY 28 -0.964 9.721 8.645
210 H ASP 29 H ASP 29 1.216 9.348 5.904
211 HA ASP 29 HA ASP 29 -0.998 10.039 4.109
212 HB2 ASP 29 HB3 ASP 29 1.068 11.441 4.047
213 HB3 ASP 29 HB2 ASP 29 1.970 10.016 3.531
214 H ILE 30 H ILE 30 -1.356 8.791 2.182
215 HA ILE 30 HA ILE 30 -0.620 5.988 2.643
216 HB ILE 30 HB ILE 30 -2.868 7.142 0.976
217 HG12 ILE 30 HG13 ILE 30 -4.279 5.868 2.647
218 HG13 ILE 30 HG12 ILE 30 -2.826 5.654 3.611
219 HG21 ILE 30 HG21 ILE 30 -2.225 4.250 1.528
220 HG22 ILE 30 HG22 ILE 30 -1.931 5.074 0.001
221 HG23 ILE 30 HG23 ILE 30 -3.582 4.861 0.586
222 HD11 ILE 30 HD11 ILE 30 -4.289 7.488 4.374
223 HD12 ILE 30 HD12 ILE 30 -3.987 8.323 2.849
224 HD13 ILE 30 HD13 ILE 30 -2.655 8.008 3.965
225 H VAL 31 H VAL 31 0.552 4.860 1.211
226 HA VAL 31 HA VAL 31 1.404 6.309 -1.198
227 HB VAL 31 HB VAL 31 3.291 5.936 0.239
228 HG11 VAL 31 HG11 VAL 31 2.550 3.012 0.190
229 HG12 VAL 31 HG12 VAL 31 2.405 4.097 1.574
230 HG13 VAL 31 HG13 VAL 31 3.999 3.694 0.933
231 HG21 VAL 31 HG21 VAL 31 3.332 3.972 -2.049
232 HG22 VAL 31 HG22 VAL 31 4.750 4.607 -1.216
233 HG23 VAL 31 HG23 VAL 31 3.714 5.691 -2.144
234 H ASP 32 H ASP 32 1.216 5.440 -3.115
235 HA ASP 32 HA ASP 32 0.345 2.642 -3.391
236 HB2 ASP 32 HB3 ASP 32 -1.540 4.163 -3.873
237 HB3 ASP 32 HB2 ASP 32 -0.545 5.030 -5.036
238 H VAL 33 H VAL 33 1.851 1.506 -4.470
239 HA VAL 33 HA VAL 33 4.115 2.951 -5.412
240 HB VAL 33 HB VAL 33 4.997 1.186 -4.410
241 HG11 VAL 33 HG11 VAL 33 2.462 -0.241 -5.020
242 HG12 VAL 33 HG12 VAL 33 3.194 0.201 -3.472
243 HG13 VAL 33 HG13 VAL 33 3.878 -1.114 -4.427
244 HG21 VAL 33 HG21 VAL 33 4.448 0.057 -7.135
245 HG22 VAL 33 HG22 VAL 33 5.453 -0.773 -5.938
246 HG23 VAL 33 HG23 VAL 33 5.918 0.822 -6.527
247 H MET 34 H MET 34 4.605 3.571 -7.278
248 HA MET 34 HA MET 34 2.966 2.923 -9.576
249 HB2 MET 34 HB3 MET 34 5.263 4.868 -9.216
250 HB3 MET 34 HB2 MET 34 4.296 4.713 -10.681
251 HG2 MET 34 HG3 MET 34 3.209 5.453 -7.984
252 HG3 MET 34 HG2 MET 34 3.650 6.612 -9.235
253 HE1 MET 34 HE1 MET 34 2.389 6.873 -11.536
254 HE2 MET 34 HE2 MET 34 1.071 5.823 -12.060
255 HE3 MET 34 HE3 MET 34 2.703 5.175 -11.894
256 H GLU 35 H GLU 35 6.153 2.356 -8.342
257 HA GLU 35 HA GLU 35 6.759 0.445 -10.436
258 HB2 GLU 35 HB3 GLU 35 7.542 2.609 -11.368
259 HB3 GLU 35 HB2 GLU 35 8.538 2.844 -9.939
260 HG2 GLU 35 HG3 GLU 35 9.723 0.718 -10.541
261 HG3 GLU 35 HG2 GLU 35 8.837 0.748 -12.065
262 H LYS 36 H LYS 36 8.228 -1.091 -9.740
263 HA LYS 36 HA LYS 36 8.905 -0.883 -6.879
264 HB2 LYS 36 HB3 LYS 36 8.465 -3.310 -8.604
265 HB3 LYS 36 HB2 LYS 36 9.060 -3.379 -6.957
266 HG2 LYS 36 HG3 LYS 36 6.952 -2.288 -6.231
267 HG3 LYS 36 HG2 LYS 36 6.367 -2.434 -7.894
268 HD2 LYS 36 HD3 LYS 36 6.764 -4.876 -7.768
269 HD3 LYS 36 HD2 LYS 36 7.208 -4.687 -6.071
270 HE2 LYS 36 HE3 LYS 36 4.956 -3.684 -5.691
271 HE3 LYS 36 HE2 LYS 36 4.542 -4.133 -7.345
272 HZ1 LYS 36 HZ1 LYS 36 5.258 -5.966 -5.116
273 HZ2 LYS 36 HZ2 LYS 36 5.094 -6.462 -6.734
274 HZ3 LYS 36 HZ3 LYS 36 3.757 -5.841 -5.902
275 H CYS 37 H CYS 37 10.962 -0.796 -6.294
276 HA CYS 37 HA CYS 37 13.029 -1.835 -8.094
277 HB2 CYS 37 HB3 CYS 37 13.359 -0.425 -5.426
278 HB3 CYS 37 HB2 CYS 37 14.632 -0.794 -6.587
279 HG CYS 37 HG CYS 37 12.631 0.908 -8.359
280 H ASP 38 H ASP 38 13.885 -3.799 -7.719
281 HA ASP 38 HA ASP 38 12.499 -5.576 -6.038
282 HB2 ASP 38 HB3 ASP 38 13.635 -6.185 -8.172
283 HB3 ASP 38 HB2 ASP 38 15.178 -6.006 -7.350
284 H ASP 39 H ASP 39 15.102 -3.489 -5.392
285 HA ASP 39 HA ASP 39 16.257 -5.049 -3.265
286 HB2 ASP 39 HB3 ASP 39 17.618 -3.010 -2.850
287 HB3 ASP 39 HB2 ASP 39 17.706 -3.579 -4.513
288 H GLY 40 H GLY 40 13.554 -2.947 -3.508
289 HA2 GLY 40 HA3 GLY 40 12.233 -3.402 -1.348
290 HA3 GLY 40 HA2 GLY 40 13.585 -2.596 -0.576
291 H TRP 41 H TRP 41 13.643 -0.743 -3.053
292 HA TRP 41 HA TRP 41 11.906 1.242 -1.873
293 HB2 TRP 41 HB3 TRP 41 13.790 1.284 -4.227
294 HB3 TRP 41 HB2 TRP 41 12.758 2.644 -3.827
295 HD1 TRP 41 HD1 TRP 41 15.296 0.481 -1.856
296 HE1 TRP 41 HE1 TRP 41 16.744 2.062 -0.424
297 HE3 TRP 41 HE3 TRP 41 13.143 4.918 -3.149
298 HZ2 TRP 41 HZ2 TRP 41 16.938 4.839 0.080
299 HZ3 TRP 41 HZ3 TRP 41 14.017 6.992 -2.160
300 HH2 TRP 41 HH2 TRP 41 15.876 6.952 -0.577
301 H PHE 42 H PHE 42 9.890 1.844 -2.604
302 HA PHE 42 HA PHE 42 9.240 1.069 -5.366
303 HB2 PHE 42 HB3 PHE 42 7.069 1.499 -3.304
304 HB3 PHE 42 HB2 PHE 42 6.998 0.648 -4.830
305 HD1 PHE 42 HD1 PHE 42 8.815 -1.374 -4.924
306 HD2 PHE 42 HD2 PHE 42 6.920 0.170 -1.448
307 HE1 PHE 42 HE1 PHE 42 9.170 -3.526 -3.780
308 HE2 PHE 42 HE2 PHE 42 7.279 -1.972 -0.296
309 HZ PHE 42 HZ PHE 42 8.404 -3.822 -1.462
310 H VAL 43 H VAL 43 7.873 2.599 -6.497
311 HA VAL 43 HA VAL 43 8.245 5.344 -5.595
312 HB VAL 43 HB VAL 43 6.845 4.446 -8.110
313 HG11 VAL 43 HG11 VAL 43 8.223 7.017 -7.360
314 HG12 VAL 43 HG12 VAL 43 6.498 6.755 -7.600
315 HG13 VAL 43 HG13 VAL 43 7.601 6.638 -8.967
316 HG21 VAL 43 HG21 VAL 43 9.657 5.297 -8.290
317 HG22 VAL 43 HG22 VAL 43 8.794 4.057 -9.197
318 HG23 VAL 43 HG23 VAL 43 9.383 3.721 -7.562
319 H GLY 44 H GLY 44 6.217 6.770 -5.801
320 HA2 GLY 44 HA3 GLY 44 3.736 5.423 -5.240
321 HA3 GLY 44 HA2 GLY 44 4.507 6.067 -3.802
322 H THR 45 H THR 45 1.976 6.815 -4.951
323 HA THR 45 HA THR 45 2.572 9.616 -5.611
324 HB THR 45 HB THR 45 -0.156 8.352 -5.850
325 HG1 THR 45 HG1 THR 45 0.500 7.220 -7.512
326 HG21 THR 45 HG21 THR 45 1.150 10.482 -7.532
327 HG22 THR 45 HG22 THR 45 0.250 10.847 -6.063
328 HG23 THR 45 HG23 THR 45 -0.563 10.082 -7.425
329 H SER 46 H SER 46 2.133 11.132 -4.118
330 HA SER 46 HA SER 46 1.164 10.311 -1.529
331 HB2 SER 46 HB3 SER 46 3.012 11.850 -1.599
332 HB3 SER 46 HB2 SER 46 2.101 12.977 -2.603
333 HG SER 46 HG SER 46 1.618 12.270 0.115
334 H ARG 47 H ARG 47 -0.723 10.786 -0.549
335 HA ARG 47 HA ARG 47 -2.965 11.570 -2.103
336 HB2 ARG 47 HB3 ARG 47 -2.457 10.797 0.720
337 HB3 ARG 47 HB2 ARG 47 -3.952 11.644 0.358
338 HG2 ARG 47 HG3 ARG 47 -4.304 9.273 0.365
339 HG3 ARG 47 HG2 ARG 47 -4.520 9.917 -1.259
340 HD2 ARG 47 HD3 ARG 47 -2.253 9.151 -1.833
341 HD3 ARG 47 HD2 ARG 47 -2.100 8.462 -0.220
342 HE ARG 47 HE ARG 47 -4.268 7.209 -0.983
343 HH11 ARG 47 HH11 ARG 47 -1.364 7.817 -2.863
344 HH12 ARG 47 HH12 ARG 47 -1.614 6.443 -3.893
345 HH21 ARG 47 HH22 ARG 47 -4.572 5.417 -2.304
346 HH22 ARG 47 HH21 ARG 47 -3.449 5.070 -3.580
347 H ARG 48 H ARG 48 -0.599 13.337 -0.507
348 HA ARG 48 HA ARG 48 -2.392 15.597 -0.010
349 HB2 ARG 48 HB3 ARG 48 0.351 14.888 0.945
350 HB3 ARG 48 HB2 ARG 48 -0.177 16.565 0.978
351 HG2 ARG 48 HG3 ARG 48 -2.177 15.783 2.292
352 HG3 ARG 48 HG2 ARG 48 -1.358 14.224 2.429
353 HD2 ARG 48 HD3 ARG 48 -1.001 15.744 4.373
354 HD3 ARG 48 HD2 ARG 48 0.484 15.213 3.584
355 HE ARG 48 HE ARG 48 -0.006 17.554 2.349
356 HH11 ARG 48 HH11 ARG 48 -0.044 16.734 5.761
357 HH12 ARG 48 HH12 ARG 48 0.574 18.285 6.263
358 HH21 ARG 48 HH22 ARG 48 0.818 19.580 3.010
359 HH22 ARG 48 HH21 ARG 48 1.058 19.896 4.705
360 H THR 49 H THR 49 0.923 15.232 -1.259
361 HA THR 49 HA THR 49 0.751 17.801 -2.514
362 HB THR 49 HB THR 49 2.839 16.947 -1.466
363 HG1 THR 49 HG1 THR 49 3.930 18.208 -2.773
364 HG21 THR 49 HG21 THR 49 3.074 15.222 -3.927
365 HG22 THR 49 HG22 THR 49 2.662 14.626 -2.320
366 HG23 THR 49 HG23 THR 49 4.237 15.363 -2.610
367 H LYS 50 H LYS 50 -0.255 14.770 -3.465
368 HA LYS 50 HA LYS 50 -0.996 13.861 -5.407
369 HB2 LYS 50 HB3 LYS 50 -1.133 16.789 -6.110
370 HB3 LYS 50 HB2 LYS 50 -1.773 15.519 -7.145
371 HG2 LYS 50 HG3 LYS 50 -2.621 15.971 -4.295
372 HG3 LYS 50 HG2 LYS 50 -3.475 16.599 -5.702
373 HD2 LYS 50 HD3 LYS 50 -2.892 13.676 -5.292
374 HD3 LYS 50 HD2 LYS 50 -4.382 14.450 -4.748
375 HE2 LYS 50 HE3 LYS 50 -4.847 15.145 -7.056
376 HE3 LYS 50 HE2 LYS 50 -3.361 14.358 -7.586
377 HZ1 LYS 50 HZ1 LYS 50 -4.249 12.240 -6.972
378 HZ2 LYS 50 HZ2 LYS 50 -5.382 13.017 -7.960
379 HZ3 LYS 50 HZ3 LYS 50 -5.625 12.944 -6.280
380 H GLN 51 H GLN 51 1.890 14.235 -5.084
381 HA GLN 51 HA GLN 51 2.693 14.305 -7.896
382 HB2 GLN 51 HB3 GLN 51 4.265 14.908 -5.396
383 HB3 GLN 51 HB2 GLN 51 5.002 14.713 -6.979
384 HG2 GLN 51 HG3 GLN 51 2.914 16.740 -6.268
385 HG3 GLN 51 HG2 GLN 51 4.642 17.064 -6.405
386 HE21 GLN 51 HE22 GLN 51 1.697 16.422 -8.115
387 HE22 GLN 51 HE21 GLN 51 2.289 16.803 -9.693
388 H PHE 52 H PHE 52 4.704 12.934 -8.279
389 HA PHE 52 HA PHE 52 4.088 10.263 -7.190
390 HB2 PHE 52 HB3 PHE 52 5.096 10.981 -9.965
391 HB3 PHE 52 HB2 PHE 52 4.765 9.355 -9.387
392 HD1 PHE 52 HD2 PHE 52 3.147 12.623 -10.090
393 HD2 PHE 52 HD1 PHE 52 2.655 8.421 -9.639
394 HE1 PHE 52 HE2 PHE 52 0.838 12.810 -10.918
395 HE2 PHE 52 HE1 PHE 52 0.346 8.597 -10.471
396 HZ PHE 52 HZ PHE 52 -0.568 10.794 -11.110
397 H GLY 53 H GLY 53 5.668 9.868 -5.761
398 HA2 GLY 53 HA3 GLY 53 8.454 10.279 -6.659
399 HA3 GLY 53 HA2 GLY 53 7.927 10.843 -5.081
400 H THR 54 H THR 54 10.018 8.947 -5.664
401 HA THR 54 HA THR 54 8.847 6.451 -4.664
402 HB THR 54 HB THR 54 10.154 6.165 -6.662
403 HG1 THR 54 HG1 THR 54 10.392 4.679 -4.711
404 HG21 THR 54 HG21 THR 54 12.608 6.642 -6.650
405 HG22 THR 54 HG22 THR 54 12.397 7.492 -5.117
406 HG23 THR 54 HG23 THR 54 11.604 8.089 -6.578
407 H PHE 55 H PHE 55 9.555 5.485 -2.789
408 HA PHE 55 HA PHE 55 11.810 6.472 -1.342
409 HB2 PHE 55 HB3 PHE 55 10.573 7.095 0.716
410 HB3 PHE 55 HB2 PHE 55 10.246 8.178 -0.623
411 HD1 PHE 55 HD1 PHE 55 8.035 8.176 -1.716
412 HD2 PHE 55 HD2 PHE 55 8.884 5.726 1.664
413 HE1 PHE 55 HE1 PHE 55 5.629 7.859 -1.341
414 HE2 PHE 55 HE2 PHE 55 6.477 5.400 2.038
415 HZ PHE 55 HZ PHE 55 4.845 6.469 0.537
416 HA PRO 56 HA PRO 56 12.089 2.419 0.270
417 HB2 PRO 56 HB2 PRO 56 11.833 3.421 3.061
418 HB3 PRO 56 HB3 PRO 56 13.098 2.424 2.334
419 HG2 PRO 56 HG3 PRO 56 13.517 5.004 2.867
420 HG3 PRO 56 HG2 PRO 56 14.187 4.244 1.413
421 HD2 PRO 56 HD3 PRO 56 11.861 6.093 1.683
422 HD3 PRO 56 HD2 PRO 56 13.041 5.941 0.366
423 H GLY 57 H GLY 57 10.616 0.829 0.415
424 HA2 GLY 57 HA3 GLY 57 7.939 1.498 1.356
425 HA3 GLY 57 HA2 GLY 57 8.382 0.079 0.430
426 H ASN 58 H ASN 58 10.317 0.887 3.157
427 HA ASN 58 HA ASN 58 8.847 -1.045 4.819
428 HB2 ASN 58 HB3 ASN 58 11.040 -1.927 3.805
429 HB3 ASN 58 HB2 ASN 58 11.855 -0.795 4.876
430 HD21 ASN 58 HD22 ASN 58 8.901 -2.381 5.828
431 HD22 ASN 58 HD21 ASN 58 9.609 -3.433 6.999
432 H TYR 59 H TYR 59 8.999 1.920 4.522
433 HA TYR 59 HA TYR 59 9.697 2.606 7.297
434 HB2 TYR 59 HB3 TYR 59 11.108 3.871 5.885
435 HB3 TYR 59 HB2 TYR 59 9.850 4.110 4.686
436 HD1 TYR 59 HD1 TYR 59 8.174 5.809 4.980
437 HD2 TYR 59 HD2 TYR 59 11.319 5.344 7.799
438 HE1 TYR 59 HE1 TYR 59 7.708 8.069 5.867
439 HE2 TYR 59 HE2 TYR 59 10.861 7.584 8.704
440 HH TYR 59 HH TYR 59 9.840 9.672 8.014
441 H VAL 60 H VAL 60 7.312 1.813 5.272
442 HA VAL 60 HA VAL 60 5.288 3.545 6.516
443 HB VAL 60 HB VAL 60 5.684 4.011 4.097
444 HG11 VAL 60 HG11 VAL 60 4.756 2.325 2.473
445 HG12 VAL 60 HG12 VAL 60 4.862 1.156 3.792
446 HG13 VAL 60 HG13 VAL 60 6.321 1.944 3.192
447 HG21 VAL 60 HG21 VAL 60 3.294 3.814 3.400
448 HG22 VAL 60 HG22 VAL 60 3.582 4.615 4.946
449 HG23 VAL 60 HG23 VAL 60 3.024 2.947 4.912
450 H LYS 61 H LYS 61 3.158 2.451 6.814
451 HA LYS 61 HA LYS 61 3.517 -0.460 7.079
452 HB2 LYS 61 HB3 LYS 61 2.386 -0.483 9.144
453 HB3 LYS 61 HB2 LYS 61 3.507 0.865 9.253
454 HG2 LYS 61 HG3 LYS 61 1.791 2.448 9.024
455 HG3 LYS 61 HG2 LYS 61 0.636 1.235 8.473
456 HD2 LYS 61 HD3 LYS 61 1.881 1.275 11.211
457 HD3 LYS 61 HD2 LYS 61 0.297 1.950 10.833
458 HE2 LYS 61 HE3 LYS 61 1.060 -0.912 10.298
459 HE3 LYS 61 HE2 LYS 61 0.295 -0.382 11.799
460 HZ1 LYS 61 HZ1 LYS 61 -0.844 -0.130 9.064
461 HZ2 LYS 61 HZ2 LYS 61 -1.575 0.447 10.482
462 HZ3 LYS 61 HZ3 LYS 61 -1.343 -1.221 10.259
463 HA PRO 62 HA PRO 62 -0.079 -1.297 4.690
464 HB2 PRO 62 HB2 PRO 62 -1.332 -3.143 6.319
465 HB3 PRO 62 HB3 PRO 62 0.008 -3.516 5.229
466 HG2 PRO 62 HG3 PRO 62 0.082 -2.876 8.162
467 HG3 PRO 62 HG2 PRO 62 0.916 -4.171 7.290
468 HD2 PRO 62 HD3 PRO 62 2.240 -2.004 7.956
469 HD3 PRO 62 HD2 PRO 62 2.453 -2.689 6.329
470 H LEU 63 H LEU 63 -2.196 -0.697 4.465
471 HA LEU 63 HA LEU 63 -3.317 1.156 6.282
472 HB2 LEU 63 HB3 LEU 63 -4.529 -0.307 3.941
473 HB3 LEU 63 HB2 LEU 63 -5.347 0.961 4.833
474 HG LEU 63 HG LEU 63 -2.822 1.261 3.216
475 HD11 LEU 63 HD11 LEU 63 -4.842 1.058 1.859
476 HD12 LEU 63 HD12 LEU 63 -4.204 2.702 1.799
477 HD13 LEU 63 HD13 LEU 63 -5.609 2.337 2.801
478 HD21 LEU 63 HD21 LEU 63 -4.371 3.316 4.776
479 HD22 LEU 63 HD22 LEU 63 -2.951 3.612 3.769
480 HD23 LEU 63 HD23 LEU 63 -2.809 2.630 5.227
481 H TYR 64 H TYR 64 -5.164 1.019 7.518
482 HA TYR 64 HA TYR 64 -5.568 -1.439 8.894
483 HB2 TYR 64 HB3 TYR 64 -5.879 1.162 9.568
484 HB3 TYR 64 HB2 TYR 64 -7.549 0.739 9.210
485 HD1 TYR 64 HD1 TYR 64 -4.630 -0.631 11.062
486 HD2 TYR 64 HD2 TYR 64 -8.838 -0.057 10.965
487 HE1 TYR 64 HE1 TYR 64 -4.805 -1.630 13.303
488 HE2 TYR 64 HE2 TYR 64 -9.034 -1.055 13.207
489 HH TYR 64 HH TYR 64 -6.304 -1.613 15.202
Start of MODEL 15
1 H1 GLN 1 H1 GLN 1 -18.129 -5.833 -7.710
2 H2 GLN 1 H2 GLN 1 -17.399 -6.285 -6.246
3 H3 GLN 1 H3 GLN 1 -18.362 -7.393 -7.092
4 HA GLN 1 HA GLN 1 -16.821 -7.536 -8.863
5 HB2 GLN 1 HB3 GLN 1 -14.710 -6.289 -8.819
6 HB3 GLN 1 HB2 GLN 1 -16.088 -5.201 -8.861
7 HG2 GLN 1 HG3 GLN 1 -15.849 -4.740 -6.503
8 HG3 GLN 1 HG2 GLN 1 -14.541 -5.917 -6.380
9 HE21 GLN 1 HE22 GLN 1 -14.540 -3.071 -5.762
10 HE22 GLN 1 HE21 GLN 1 -13.315 -2.350 -6.751
11 H THR 2 H THR 2 -15.173 -9.065 -8.817
12 HA THR 2 HA THR 2 -14.529 -10.093 -6.140
13 HB THR 2 HB THR 2 -13.629 -12.064 -7.641
14 HG1 THR 2 HG1 THR 2 -13.962 -11.119 -9.658
15 HG21 THR 2 HG21 THR 2 -15.891 -13.085 -7.580
16 HG22 THR 2 HG22 THR 2 -16.549 -11.511 -7.138
17 HG23 THR 2 HG23 THR 2 -15.420 -12.329 -6.056
18 H SER 3 H SER 3 -13.280 -8.213 -8.558
19 HA SER 3 HA SER 3 -10.503 -8.972 -8.184
20 HB2 SER 3 HB3 SER 3 -10.140 -7.029 -9.789
21 HB3 SER 3 HB2 SER 3 -11.082 -8.379 -10.424
22 HG SER 3 HG SER 3 -11.998 -5.852 -9.532
23 H GLN 4 H GLN 4 -8.918 -7.273 -7.602
24 HA GLN 4 HA GLN 4 -10.033 -5.178 -5.893
25 HB2 GLN 4 HB3 GLN 4 -8.524 -5.600 -4.127
26 HB3 GLN 4 HB2 GLN 4 -9.188 -7.169 -4.557
27 HG2 GLN 4 HG3 GLN 4 -6.685 -6.304 -5.854
28 HG3 GLN 4 HG2 GLN 4 -6.610 -6.794 -4.164
29 HE21 GLN 4 HE22 GLN 4 -5.390 -8.607 -4.569
30 HE22 GLN 4 HE21 GLN 4 -6.014 -10.005 -5.379
31 H ASP 5 H ASP 5 -8.715 -3.332 -5.653
32 HA ASP 5 HA ASP 5 -7.036 -2.796 -7.954
33 HB2 ASP 5 HB3 ASP 5 -8.772 -1.210 -6.788
34 HB3 ASP 5 HB2 ASP 5 -7.448 -0.881 -5.679
35 H LEU 6 H LEU 6 -5.210 -0.991 -6.778
36 HA LEU 6 HA LEU 6 -3.206 -2.790 -5.910
37 HB2 LEU 6 HB3 LEU 6 -3.328 0.213 -6.009
38 HB3 LEU 6 HB2 LEU 6 -1.912 -0.688 -5.519
39 HG LEU 6 HG LEU 6 -3.188 -1.094 -8.198
40 HD11 LEU 6 HD11 LEU 6 -1.057 0.396 -8.773
41 HD12 LEU 6 HD12 LEU 6 -1.441 1.056 -7.176
42 HD13 LEU 6 HD13 LEU 6 -2.645 1.100 -8.462
43 HD21 LEU 6 HD21 LEU 6 -0.336 -1.492 -7.349
44 HD22 LEU 6 HD22 LEU 6 -1.168 -2.151 -8.757
45 HD23 LEU 6 HD23 LEU 6 -1.557 -2.745 -7.139
46 H PHE 7 H PHE 7 -1.843 -2.019 -3.964
47 HA PHE 7 HA PHE 7 -3.672 -1.816 -1.678
48 HB2 PHE 7 HB3 PHE 7 -1.567 -2.835 -0.452
49 HB3 PHE 7 HB2 PHE 7 -2.755 -3.850 -1.247
50 HD1 PHE 7 HD1 PHE 7 0.604 -2.360 -1.561
51 HD2 PHE 7 HD2 PHE 7 -2.163 -5.203 -3.097
52 HE1 PHE 7 HE1 PHE 7 2.395 -3.364 -2.913
53 HE2 PHE 7 HE2 PHE 7 -0.378 -6.209 -4.454
54 HZ PHE 7 HZ PHE 7 1.904 -5.292 -4.366
55 H SER 8 H SER 8 -3.266 -0.466 -0.075
56 HA SER 8 HA SER 8 -1.277 1.619 -0.677
57 HB2 SER 8 HB3 SER 8 -3.918 1.978 0.716
58 HB3 SER 8 HB2 SER 8 -2.823 3.246 0.178
59 HG SER 8 HG SER 8 -3.168 2.371 -2.005
60 H TYR 9 H TYR 9 -0.222 2.615 1.026
61 HA TYR 9 HA TYR 9 -0.450 1.241 3.620
62 HB2 TYR 9 HB3 TYR 9 2.153 2.192 2.365
63 HB3 TYR 9 HB2 TYR 9 1.965 1.445 3.934
64 HD1 TYR 9 HD2 TYR 9 1.216 0.675 0.339
65 HD2 TYR 9 HD1 TYR 9 2.423 -0.747 4.148
66 HE1 TYR 9 HE2 TYR 9 1.589 -1.554 -0.626
67 HE2 TYR 9 HE1 TYR 9 2.806 -2.990 3.203
68 HH TYR 9 HH TYR 9 2.843 -3.567 -0.175
69 H GLN 10 H GLN 10 0.074 2.517 5.454
70 HA GLN 10 HA GLN 10 -0.155 5.425 4.980
71 HB2 GLN 10 HB3 GLN 10 -2.023 4.566 6.269
72 HB3 GLN 10 HB2 GLN 10 -0.931 3.759 7.386
73 HG2 GLN 10 HG3 GLN 10 -0.132 5.886 8.202
74 HG3 GLN 10 HG2 GLN 10 -1.120 6.748 7.022
75 HE21 GLN 10 HE22 GLN 10 -1.110 4.930 9.981
76 HE22 GLN 10 HE21 GLN 10 -2.725 5.321 10.457
77 H ALA 11 H ALA 11 1.473 6.695 5.605
78 HA ALA 11 HA ALA 11 3.901 5.405 6.436
79 HB1 ALA 11 HB1 ALA 11 4.997 7.369 5.866
80 HB2 ALA 11 HB2 ALA 11 3.571 8.358 6.150
81 HB3 ALA 11 HB3 ALA 11 3.644 7.307 4.736
82 H LEU 12 H LEU 12 4.986 5.610 8.269
83 HA LEU 12 HA LEU 12 3.471 5.791 10.632
84 HB2 LEU 12 HB3 LEU 12 6.472 5.882 10.385
85 HB3 LEU 12 HB2 LEU 12 5.537 5.326 11.761
86 HG LEU 12 HG LEU 12 5.371 3.954 9.093
87 HD11 LEU 12 HD11 LEU 12 7.335 3.473 11.322
88 HD12 LEU 12 HD12 LEU 12 7.690 3.958 9.662
89 HD13 LEU 12 HD13 LEU 12 7.033 2.354 9.989
90 HD21 LEU 12 HD21 LEU 12 4.756 3.136 11.928
91 HD22 LEU 12 HD22 LEU 12 4.753 2.033 10.551
92 HD23 LEU 12 HD23 LEU 12 3.610 3.371 10.606
93 H TYR 13 H TYR 13 5.740 8.008 9.113
94 HA TYR 13 HA TYR 13 4.765 10.183 10.724
95 HB2 TYR 13 HB3 TYR 13 7.047 10.895 11.449
96 HB3 TYR 13 HB2 TYR 13 6.485 9.425 12.227
97 HD1 TYR 13 HD1 TYR 13 7.529 7.264 11.704
98 HD2 TYR 13 HD2 TYR 13 8.936 10.879 9.952
99 HE1 TYR 13 HE1 TYR 13 9.615 6.133 11.054
100 HE2 TYR 13 HE2 TYR 13 11.021 9.757 9.293
101 HH TYR 13 HH TYR 13 11.409 6.404 9.356
102 H SER 14 H SER 14 6.302 12.203 10.058
103 HA SER 14 HA SER 14 5.930 12.317 7.196
104 HB2 SER 14 HB3 SER 14 6.394 14.716 7.461
105 HB3 SER 14 HB2 SER 14 5.172 14.174 8.603
106 HG SER 14 HG SER 14 6.627 15.435 9.718
107 H TYR 15 H TYR 15 7.487 12.530 5.673
108 HA TYR 15 HA TYR 15 10.278 12.246 6.559
109 HB2 TYR 15 HB3 TYR 15 9.507 10.077 5.859
110 HB3 TYR 15 HB2 TYR 15 8.808 10.732 4.401
111 HD1 TYR 15 HD2 TYR 15 11.920 9.674 6.023
112 HD2 TYR 15 HD1 TYR 15 10.164 11.257 2.498
113 HE1 TYR 15 HE2 TYR 15 13.968 9.132 4.767
114 HE2 TYR 15 HE1 TYR 15 12.190 10.703 1.219
115 HH TYR 15 HH TYR 15 14.432 10.158 1.443
116 H ILE 16 H ILE 16 11.749 13.409 5.464
117 HA ILE 16 HA ILE 16 10.721 15.228 3.388
118 HB ILE 16 HB ILE 16 13.101 15.587 5.220
119 HG12 ILE 16 HG13 ILE 16 10.952 15.739 6.414
120 HG13 ILE 16 HG12 ILE 16 11.754 17.297 6.319
121 HG21 ILE 16 HG21 ILE 16 11.830 17.630 3.422
122 HG22 ILE 16 HG22 ILE 16 13.210 16.650 2.943
123 HG23 ILE 16 HG23 ILE 16 13.353 17.758 4.307
124 HD11 ILE 16 HD11 ILE 16 10.225 18.167 4.877
125 HD12 ILE 16 HD12 ILE 16 9.214 17.100 5.852
126 HD13 ILE 16 HD13 ILE 16 9.777 16.583 4.263
127 HA PRO 17 HA PRO 17 13.036 12.914 0.450
128 HB2 PRO 17 HB2 PRO 17 13.309 15.496 -0.969
129 HB3 PRO 17 HB3 PRO 17 12.621 13.971 -1.530
130 HG2 PRO 17 HG3 PRO 17 11.083 16.079 -0.892
131 HG3 PRO 17 HG2 PRO 17 10.559 14.410 -0.617
132 HD2 PRO 17 HD3 PRO 17 11.507 16.444 1.333
133 HD3 PRO 17 HD2 PRO 17 10.339 15.131 1.545
134 H GLN 18 H GLN 18 15.082 12.358 0.402
135 HA GLN 18 HA GLN 18 17.164 14.208 1.258
136 HB2 GLN 18 HB3 GLN 18 17.387 11.336 0.325
137 HB3 GLN 18 HB2 GLN 18 18.617 12.259 1.174
138 HG2 GLN 18 HG3 GLN 18 17.382 12.239 3.180
139 HG3 GLN 18 HG2 GLN 18 15.928 11.662 2.365
140 HE21 GLN 18 HE22 GLN 18 17.337 9.735 0.752
141 HE22 GLN 18 HE21 GLN 18 17.789 8.437 1.804
142 H ASN 19 H ASN 19 16.039 12.480 -1.540
143 HA ASN 19 HA ASN 19 17.794 14.097 -3.276
144 HB2 ASN 19 HB3 ASN 19 16.776 11.273 -3.558
145 HB3 ASN 19 HB2 ASN 19 17.274 12.198 -4.967
146 HD21 ASN 19 HD22 ASN 19 18.858 12.580 -1.889
147 HD22 ASN 19 HD21 ASN 19 20.337 11.806 -2.334
148 H ASP 20 H ASP 20 16.777 14.592 -5.408
149 HA ASP 20 HA ASP 20 14.232 15.801 -4.899
150 HB2 ASP 20 HB3 ASP 20 15.908 15.675 -7.407
151 HB3 ASP 20 HB2 ASP 20 14.423 16.609 -7.262
152 H ASP 21 H ASP 21 15.171 12.793 -6.104
153 HA ASP 21 HA ASP 21 12.796 12.376 -7.717
154 HB2 ASP 21 HB3 ASP 21 13.664 10.034 -7.922
155 HB3 ASP 21 HB2 ASP 21 14.798 11.266 -8.471
156 H GLU 22 H GLU 22 13.612 12.237 -4.462
157 HA GLU 22 HA GLU 22 11.800 10.099 -3.761
158 HB2 GLU 22 HB3 GLU 22 13.295 12.055 -2.003
159 HB3 GLU 22 HB2 GLU 22 12.440 10.619 -1.453
160 HG2 GLU 22 HG3 GLU 22 13.974 9.196 -2.666
161 HG3 GLU 22 HG2 GLU 22 14.797 10.609 -3.322
162 H LEU 23 H LEU 23 10.217 10.572 -1.961
163 HA LEU 23 HA LEU 23 8.461 12.668 -3.012
164 HB2 LEU 23 HB3 LEU 23 7.769 10.260 -2.966
165 HB3 LEU 23 HB2 LEU 23 7.818 10.338 -1.219
166 HG LEU 23 HG LEU 23 5.967 11.852 -1.157
167 HD11 LEU 23 HD11 LEU 23 4.873 12.682 -3.176
168 HD12 LEU 23 HD12 LEU 23 6.085 11.886 -4.167
169 HD13 LEU 23 HD13 LEU 23 6.551 13.217 -3.113
170 HD21 LEU 23 HD21 LEU 23 4.271 10.480 -2.423
171 HD22 LEU 23 HD22 LEU 23 5.312 9.592 -1.307
172 HD23 LEU 23 HD23 LEU 23 5.643 9.556 -3.036
173 H GLU 24 H GLU 24 7.833 14.386 -1.762
174 HA GLU 24 HA GLU 24 8.785 14.537 0.957
175 HB2 GLU 24 HB3 GLU 24 8.261 16.504 -0.747
176 HB3 GLU 24 HB2 GLU 24 6.652 16.382 -0.040
177 HG2 GLU 24 HG3 GLU 24 7.818 16.547 2.222
178 HG3 GLU 24 HG2 GLU 24 9.241 17.042 1.313
179 H LEU 25 H LEU 25 7.811 13.615 2.598
180 HA LEU 25 HA LEU 25 5.168 12.441 2.084
181 HB2 LEU 25 HB3 LEU 25 7.118 10.920 1.954
182 HB3 LEU 25 HB2 LEU 25 7.527 11.330 3.600
183 HG LEU 25 HG LEU 25 6.381 9.102 3.162
184 HD11 LEU 25 HD11 LEU 25 4.910 9.408 5.210
185 HD12 LEU 25 HD12 LEU 25 5.523 11.058 5.227
186 HD13 LEU 25 HD13 LEU 25 6.639 9.709 5.370
187 HD21 LEU 25 HD21 LEU 25 3.834 9.376 3.270
188 HD22 LEU 25 HD22 LEU 25 4.638 9.609 1.714
189 HD23 LEU 25 HD23 LEU 25 4.141 11.006 2.664
190 H ARG 26 H ARG 26 3.643 12.599 3.652
191 HA ARG 26 HA ARG 26 4.422 14.101 6.060
192 HB2 ARG 26 HB3 ARG 26 1.801 14.032 4.568
193 HB3 ARG 26 HB2 ARG 26 2.017 14.812 6.129
194 HG2 ARG 26 HG3 ARG 26 3.508 15.510 3.605
195 HG3 ARG 26 HG2 ARG 26 2.144 16.405 4.279
196 HD2 ARG 26 HD3 ARG 26 3.360 17.052 6.165
197 HD3 ARG 26 HD2 ARG 26 4.620 15.858 5.876
198 HE ARG 26 HE ARG 26 4.472 17.707 3.729
199 HH11 ARG 26 HH11 ARG 26 5.500 17.493 7.066
200 HH12 ARG 26 HH12 ARG 26 6.838 18.586 6.859
201 HH21 ARG 26 HH22 ARG 26 6.269 19.111 3.440
202 HH22 ARG 26 HH21 ARG 26 7.255 19.511 4.818
203 H ASP 27 H ASP 27 3.456 13.541 8.052
204 HA ASP 27 HA ASP 27 3.324 10.788 8.548
205 HB2 ASP 27 HB3 ASP 27 2.375 11.442 10.785
206 HB3 ASP 27 HB2 ASP 27 3.893 12.216 10.358
207 H GLY 28 H GLY 28 1.777 9.342 8.557
208 HA2 GLY 28 HA3 GLY 28 -0.270 8.351 8.278
209 HA3 GLY 28 HA2 GLY 28 -1.013 9.866 8.752
210 H ASP 29 H ASP 29 1.187 9.623 6.077
211 HA ASP 29 HA ASP 29 -0.947 10.312 4.217
212 HB2 ASP 29 HB3 ASP 29 1.251 11.520 4.197
213 HB3 ASP 29 HB2 ASP 29 2.015 10.015 3.697
214 H ILE 30 H ILE 30 -1.477 9.030 2.424
215 HA ILE 30 HA ILE 30 -0.791 6.207 2.795
216 HB ILE 30 HB ILE 30 -3.074 7.496 1.287
217 HG12 ILE 30 HG13 ILE 30 -4.443 6.171 2.932
218 HG13 ILE 30 HG12 ILE 30 -2.957 5.799 3.785
219 HG21 ILE 30 HG21 ILE 30 -2.543 4.554 1.620
220 HG22 ILE 30 HG22 ILE 30 -2.179 5.469 0.161
221 HG23 ILE 30 HG23 ILE 30 -3.848 5.311 0.705
222 HD11 ILE 30 HD11 ILE 30 -4.266 7.617 4.804
223 HD12 ILE 30 HD12 ILE 30 -4.014 8.576 3.343
224 HD13 ILE 30 HD13 ILE 30 -2.635 8.097 4.336
225 H VAL 31 H VAL 31 0.374 5.130 1.332
226 HA VAL 31 HA VAL 31 1.080 6.570 -1.133
227 HB VAL 31 HB VAL 31 2.960 6.567 0.388
228 HG11 VAL 31 HG11 VAL 31 2.712 3.563 0.384
229 HG12 VAL 31 HG12 VAL 31 2.397 4.638 1.745
230 HG13 VAL 31 HG13 VAL 31 4.033 4.479 1.109
231 HG21 VAL 31 HG21 VAL 31 3.380 4.622 -1.876
232 HG22 VAL 31 HG22 VAL 31 4.645 5.524 -1.041
233 HG23 VAL 31 HG23 VAL 31 3.432 6.381 -1.993
234 H ASP 32 H ASP 32 1.221 5.484 -2.991
235 HA ASP 32 HA ASP 32 0.661 2.599 -3.019
236 HB2 ASP 32 HB3 ASP 32 -0.274 4.722 -4.972
237 HB3 ASP 32 HB2 ASP 32 -0.421 2.986 -5.249
238 H VAL 33 H VAL 33 2.125 1.424 -4.139
239 HA VAL 33 HA VAL 33 4.423 2.788 -5.151
240 HB VAL 33 HB VAL 33 5.265 0.937 -4.263
241 HG11 VAL 33 HG11 VAL 33 2.635 -0.355 -4.798
242 HG12 VAL 33 HG12 VAL 33 3.426 0.041 -3.267
243 HG13 VAL 33 HG13 VAL 33 4.036 -1.287 -4.255
244 HG21 VAL 33 HG21 VAL 33 4.468 -0.117 -6.963
245 HG22 VAL 33 HG22 VAL 33 5.586 -0.944 -5.872
246 HG23 VAL 33 HG23 VAL 33 5.985 0.657 -6.497
247 H MET 34 H MET 34 4.730 3.529 -6.976
248 HA MET 34 HA MET 34 2.965 3.029 -9.205
249 HB2 MET 34 HB3 MET 34 5.381 4.836 -8.870
250 HB3 MET 34 HB2 MET 34 4.375 4.779 -10.317
251 HG2 MET 34 HG3 MET 34 2.489 5.612 -9.117
252 HG3 MET 34 HG2 MET 34 3.337 5.463 -7.580
253 HE1 MET 34 HE1 MET 34 3.216 7.329 -11.035
254 HE2 MET 34 HE2 MET 34 4.879 6.746 -10.968
255 HE3 MET 34 HE3 MET 34 4.545 8.476 -10.864
256 H GLU 35 H GLU 35 6.353 2.578 -8.369
257 HA GLU 35 HA GLU 35 6.525 0.440 -10.358
258 HB2 GLU 35 HB3 GLU 35 7.413 2.500 -11.450
259 HB3 GLU 35 HB2 GLU 35 8.599 2.631 -10.160
260 HG2 GLU 35 HG3 GLU 35 9.619 1.635 -12.092
261 HG3 GLU 35 HG2 GLU 35 9.505 0.446 -10.795
262 H LYS 36 H LYS 36 8.063 -1.112 -9.868
263 HA LYS 36 HA LYS 36 8.815 -1.068 -7.019
264 HB2 LYS 36 HB3 LYS 36 8.563 -3.503 -8.777
265 HB3 LYS 36 HB2 LYS 36 8.659 -3.452 -7.027
266 HG2 LYS 36 HG3 LYS 36 6.461 -2.566 -6.865
267 HG3 LYS 36 HG2 LYS 36 6.372 -2.323 -8.613
268 HD2 LYS 36 HD3 LYS 36 6.656 -4.790 -8.892
269 HD3 LYS 36 HD2 LYS 36 6.525 -4.951 -7.140
270 HE2 LYS 36 HE3 LYS 36 4.302 -3.967 -7.214
271 HE3 LYS 36 HE2 LYS 36 4.432 -3.778 -8.963
272 HZ1 LYS 36 HZ1 LYS 36 4.631 -6.191 -9.154
273 HZ2 LYS 36 HZ2 LYS 36 3.170 -5.750 -8.415
274 HZ3 LYS 36 HZ3 LYS 36 4.448 -6.352 -7.476
275 H CYS 37 H CYS 37 10.955 -0.949 -6.565
276 HA CYS 37 HA CYS 37 12.941 -1.720 -8.513
277 HB2 CYS 37 HB3 CYS 37 13.157 -1.030 -5.571
278 HB3 CYS 37 HB2 CYS 37 14.535 -1.374 -6.610
279 HG CYS 37 HG CYS 37 12.747 0.928 -8.078
280 H ASP 38 H ASP 38 14.280 -3.546 -8.339
281 HA ASP 38 HA ASP 38 12.759 -5.862 -7.964
282 HB2 ASP 38 HB3 ASP 38 15.725 -5.541 -8.368
283 HB3 ASP 38 HB2 ASP 38 14.890 -7.089 -8.414
284 H ASP 39 H ASP 39 14.728 -4.149 -5.715
285 HA ASP 39 HA ASP 39 13.822 -5.877 -3.621
286 HB2 ASP 39 HB3 ASP 39 15.753 -7.177 -4.391
287 HB3 ASP 39 HB2 ASP 39 16.787 -5.767 -4.195
288 H GLY 40 H GLY 40 12.930 -3.645 -3.197
289 HA2 GLY 40 HA3 GLY 40 13.766 -2.762 -0.832
290 HA3 GLY 40 HA2 GLY 40 14.874 -1.911 -1.890
291 H TRP 41 H TRP 41 13.985 -0.412 -3.428
292 HA TRP 41 HA TRP 41 12.008 1.179 -2.029
293 HB2 TRP 41 HB3 TRP 41 13.791 1.747 -4.402
294 HB3 TRP 41 HB2 TRP 41 12.637 2.905 -3.760
295 HD1 TRP 41 HD1 TRP 41 15.006 0.705 -1.662
296 HE1 TRP 41 HE1 TRP 41 16.538 2.250 -0.281
297 HE3 TRP 41 HE3 TRP 41 13.511 5.199 -3.571
298 HZ2 TRP 41 HZ2 TRP 41 17.043 5.030 -0.059
299 HZ3 TRP 41 HZ3 TRP 41 14.568 7.251 -2.728
300 HH2 TRP 41 HH2 TRP 41 16.295 7.166 -1.010
301 H PHE 42 H PHE 42 10.051 1.857 -2.810
302 HA PHE 42 HA PHE 42 9.345 1.042 -5.541
303 HB2 PHE 42 HB3 PHE 42 7.278 1.427 -3.349
304 HB3 PHE 42 HB2 PHE 42 7.085 0.676 -4.918
305 HD1 PHE 42 HD1 PHE 42 8.985 -1.299 -5.225
306 HD2 PHE 42 HD2 PHE 42 7.101 -0.070 -1.621
307 HE1 PHE 42 HE1 PHE 42 9.383 -3.531 -4.269
308 HE2 PHE 42 HE2 PHE 42 7.503 -2.294 -0.645
309 HZ PHE 42 HZ PHE 42 8.646 -4.030 -1.972
310 H VAL 43 H VAL 43 7.823 2.577 -6.568
311 HA VAL 43 HA VAL 43 8.428 5.315 -5.736
312 HB VAL 43 HB VAL 43 6.668 4.635 -8.057
313 HG11 VAL 43 HG11 VAL 43 8.547 6.886 -7.433
314 HG12 VAL 43 HG12 VAL 43 6.793 6.931 -7.604
315 HG13 VAL 43 HG13 VAL 43 7.804 6.651 -9.016
316 HG21 VAL 43 HG21 VAL 43 8.758 4.605 -9.472
317 HG22 VAL 43 HG22 VAL 43 8.483 3.180 -8.469
318 HG23 VAL 43 HG23 VAL 43 9.650 4.395 -7.970
319 H GLY 44 H GLY 44 6.636 6.849 -5.513
320 HA2 GLY 44 HA3 GLY 44 4.178 5.584 -4.549
321 HA3 GLY 44 HA2 GLY 44 5.183 6.421 -3.375
322 H THR 45 H THR 45 2.479 7.033 -4.087
323 HA THR 45 HA THR 45 2.920 9.740 -5.149
324 HB THR 45 HB THR 45 0.327 8.190 -5.416
325 HG1 THR 45 HG1 THR 45 2.660 8.145 -6.996
326 HG21 THR 45 HG21 THR 45 1.337 10.408 -7.168
327 HG22 THR 45 HG22 THR 45 0.516 10.751 -5.649
328 HG23 THR 45 HG23 THR 45 -0.321 9.858 -6.918
329 H SER 46 H SER 46 2.412 11.324 -3.731
330 HA SER 46 HA SER 46 1.134 10.697 -1.226
331 HB2 SER 46 HB3 SER 46 2.363 13.183 -2.391
332 HB3 SER 46 HB2 SER 46 1.538 13.187 -0.840
333 HG SER 46 HG SER 46 3.012 11.639 -0.097
334 H ARG 47 H ARG 47 -0.797 11.287 -0.489
335 HA ARG 47 HA ARG 47 -2.954 11.815 -2.162
336 HB2 ARG 47 HB3 ARG 47 -2.448 11.632 0.734
337 HB3 ARG 47 HB2 ARG 47 -3.888 12.527 0.271
338 HG2 ARG 47 HG3 ARG 47 -4.334 10.162 0.732
339 HG3 ARG 47 HG2 ARG 47 -4.735 10.639 -0.914
340 HD2 ARG 47 HD3 ARG 47 -2.390 9.765 -1.507
341 HD3 ARG 47 HD2 ARG 47 -2.477 8.944 0.054
342 HE ARG 47 HE ARG 47 -4.837 8.374 -1.265
343 HH11 ARG 47 HH11 ARG 47 -1.414 7.797 -1.749
344 HH12 ARG 47 HH12 ARG 47 -1.676 6.334 -2.658
345 HH21 ARG 47 HH22 ARG 47 -5.163 6.456 -2.462
346 HH22 ARG 47 HH21 ARG 47 -3.777 5.574 -3.055
347 H ARG 48 H ARG 48 -0.720 13.997 -0.836
348 HA ARG 48 HA ARG 48 -2.313 16.202 -0.272
349 HB2 ARG 48 HB3 ARG 48 -0.188 17.465 -0.413
350 HB3 ARG 48 HB2 ARG 48 -0.074 15.979 0.520
351 HG2 ARG 48 HG3 ARG 48 0.913 14.860 -1.439
352 HG3 ARG 48 HG2 ARG 48 0.923 16.412 -2.276
353 HD2 ARG 48 HD3 ARG 48 2.255 16.000 0.385
354 HD3 ARG 48 HD2 ARG 48 3.081 15.691 -1.141
355 HE ARG 48 HE ARG 48 2.035 18.251 -1.320
356 HH11 ARG 48 HH11 ARG 48 4.321 16.553 0.716
357 HH12 ARG 48 HH12 ARG 48 5.295 17.966 1.021
358 HH21 ARG 48 HH22 ARG 48 3.325 20.089 -0.963
359 HH22 ARG 48 HH21 ARG 48 4.721 19.978 0.070
360 H THR 49 H THR 49 -0.599 15.419 -3.282
361 HA THR 49 HA THR 49 -2.355 17.197 -4.758
362 HB THR 49 HB THR 49 -0.550 18.613 -3.870
363 HG1 THR 49 HG1 THR 49 -0.223 18.270 -6.688
364 HG21 THR 49 HG21 THR 49 1.330 17.004 -5.576
365 HG22 THR 49 HG22 THR 49 1.136 16.769 -3.834
366 HG23 THR 49 HG23 THR 49 1.729 18.313 -4.462
367 H LYS 50 H LYS 50 -1.522 14.283 -4.648
368 HA LYS 50 HA LYS 50 -0.938 12.548 -5.975
369 HB2 LYS 50 HB3 LYS 50 -1.867 14.480 -8.102
370 HB3 LYS 50 HB2 LYS 50 -1.512 12.786 -8.403
371 HG2 LYS 50 HG3 LYS 50 -3.639 13.849 -6.563
372 HG3 LYS 50 HG2 LYS 50 -3.889 13.141 -8.153
373 HD2 LYS 50 HD3 LYS 50 -2.817 11.053 -7.263
374 HD3 LYS 50 HD2 LYS 50 -2.879 11.793 -5.665
375 HE2 LYS 50 HE3 LYS 50 -5.213 11.169 -7.463
376 HE3 LYS 50 HE2 LYS 50 -4.790 10.363 -5.956
377 HZ1 LYS 50 HZ1 LYS 50 -5.236 12.374 -4.753
378 HZ2 LYS 50 HZ2 LYS 50 -6.591 11.977 -5.690
379 HZ3 LYS 50 HZ3 LYS 50 -5.549 13.215 -6.187
380 H GLN 51 H GLN 51 1.198 14.383 -5.279
381 HA GLN 51 HA GLN 51 2.915 14.422 -7.593
382 HB2 GLN 51 HB3 GLN 51 4.657 15.226 -6.092
383 HB3 GLN 51 HB2 GLN 51 3.187 16.156 -5.883
384 HG2 GLN 51 HG3 GLN 51 2.667 14.887 -3.872
385 HG3 GLN 51 HG2 GLN 51 4.137 13.942 -4.084
386 HE21 GLN 51 HE22 GLN 51 4.978 14.595 -2.104
387 HE22 GLN 51 HE21 GLN 51 5.586 16.194 -1.847
388 H PHE 52 H PHE 52 4.924 13.235 -7.642
389 HA PHE 52 HA PHE 52 4.501 10.577 -6.494
390 HB2 PHE 52 HB3 PHE 52 4.902 9.514 -8.525
391 HB3 PHE 52 HB2 PHE 52 3.839 10.846 -8.931
392 HD1 PHE 52 HD1 PHE 52 7.161 9.488 -9.168
393 HD2 PHE 52 HD2 PHE 52 4.615 12.671 -10.328
394 HE1 PHE 52 HE1 PHE 52 8.793 10.139 -10.908
395 HE2 PHE 52 HE2 PHE 52 6.232 13.354 -12.059
396 HZ PHE 52 HZ PHE 52 8.324 12.086 -12.352
397 H GLY 53 H GLY 53 6.046 9.969 -5.261
398 HA2 GLY 53 HA3 GLY 53 8.824 10.620 -6.015
399 HA3 GLY 53 HA2 GLY 53 8.268 10.911 -4.372
400 H THR 54 H THR 54 10.388 9.106 -5.309
401 HA THR 54 HA THR 54 9.192 6.506 -4.661
402 HB THR 54 HB THR 54 10.468 6.503 -6.701
403 HG1 THR 54 HG1 THR 54 10.749 4.752 -4.956
404 HG21 THR 54 HG21 THR 54 12.944 6.954 -6.629
405 HG22 THR 54 HG22 THR 54 12.709 7.634 -5.015
406 HG23 THR 54 HG23 THR 54 11.924 8.377 -6.412
407 H PHE 55 H PHE 55 9.888 5.283 -2.937
408 HA PHE 55 HA PHE 55 12.191 5.940 -1.400
409 HB2 PHE 55 HB3 PHE 55 11.051 6.486 0.716
410 HB3 PHE 55 HB2 PHE 55 10.747 7.698 -0.511
411 HD1 PHE 55 HD1 PHE 55 8.497 7.886 -1.539
412 HD2 PHE 55 HD2 PHE 55 9.320 5.170 1.637
413 HE1 PHE 55 HE1 PHE 55 6.092 7.672 -1.097
414 HE2 PHE 55 HE2 PHE 55 6.913 4.954 2.078
415 HZ PHE 55 HZ PHE 55 5.297 6.205 0.712
416 HA PRO 56 HA PRO 56 12.042 1.736 -0.184
417 HB2 PRO 56 HB2 PRO 56 12.089 2.431 2.694
418 HB3 PRO 56 HB3 PRO 56 13.227 1.467 1.751
419 HG2 PRO 56 HG3 PRO 56 13.818 3.949 2.588
420 HG3 PRO 56 HG2 PRO 56 14.411 3.308 1.044
421 HD2 PRO 56 HD3 PRO 56 12.227 5.269 1.573
422 HD3 PRO 56 HD2 PRO 56 13.356 5.168 0.208
423 H GLY 57 H GLY 57 10.427 0.287 -0.018
424 HA2 GLY 57 HA3 GLY 57 7.870 1.143 1.043
425 HA3 GLY 57 HA2 GLY 57 8.203 -0.375 0.229
426 H ASN 58 H ASN 58 10.566 -0.137 2.402
427 HA ASN 58 HA ASN 58 9.188 -1.825 4.339
428 HB2 ASN 58 HB3 ASN 58 12.124 -1.107 4.108
429 HB3 ASN 58 HB2 ASN 58 11.438 -2.326 5.182
430 HD21 ASN 58 HD22 ASN 58 10.829 -4.300 4.362
431 HD22 ASN 58 HD21 ASN 58 11.238 -4.816 2.753
432 H TYR 59 H TYR 59 9.004 1.199 4.017
433 HA TYR 59 HA TYR 59 9.906 2.003 6.700
434 HB2 TYR 59 HB3 TYR 59 11.154 3.362 5.303
435 HB3 TYR 59 HB2 TYR 59 9.926 3.374 4.044
436 HD1 TYR 59 HD2 TYR 59 11.024 4.919 7.190
437 HD2 TYR 59 HD1 TYR 59 8.148 4.966 4.059
438 HE1 TYR 59 HE2 TYR 59 10.243 7.122 7.949
439 HE2 TYR 59 HE1 TYR 59 7.354 7.173 4.811
440 HH TYR 59 HH TYR 59 9.051 9.081 7.030
441 H VAL 60 H VAL 60 7.278 1.352 4.762
442 HA VAL 60 HA VAL 60 5.508 3.153 6.285
443 HB VAL 60 HB VAL 60 5.731 3.729 3.862
444 HG11 VAL 60 HG11 VAL 60 4.484 2.184 2.267
445 HG12 VAL 60 HG12 VAL 60 4.709 0.951 3.510
446 HG13 VAL 60 HG13 VAL 60 6.110 1.719 2.767
447 HG21 VAL 60 HG21 VAL 60 3.225 3.655 3.389
448 HG22 VAL 60 HG22 VAL 60 3.785 4.510 4.828
449 HG23 VAL 60 HG23 VAL 60 3.103 2.896 4.977
450 H LYS 61 H LYS 61 3.352 2.251 6.725
451 HA LYS 61 HA LYS 61 3.487 -0.685 6.892
452 HB2 LYS 61 HB3 LYS 61 2.580 -0.666 9.057
453 HB3 LYS 61 HB2 LYS 61 3.796 0.600 9.069
454 HG2 LYS 61 HG3 LYS 61 2.171 2.303 9.019
455 HG3 LYS 61 HG2 LYS 61 0.886 1.166 8.607
456 HD2 LYS 61 HD3 LYS 61 2.439 1.169 11.184
457 HD3 LYS 61 HD2 LYS 61 0.822 1.843 10.978
458 HE2 LYS 61 HE3 LYS 61 1.508 -1.020 10.368
459 HE3 LYS 61 HE2 LYS 61 0.955 -0.488 11.955
460 HZ1 LYS 61 HZ1 LYS 61 -1.104 0.227 11.021
461 HZ2 LYS 61 HZ2 LYS 61 -0.829 -1.370 10.516
462 HZ3 LYS 61 HZ3 LYS 61 -0.575 -0.084 9.438
463 HA PRO 62 HA PRO 62 -0.430 -1.212 4.946
464 HB2 PRO 62 HB2 PRO 62 -1.679 -2.849 6.813
465 HB3 PRO 62 HB3 PRO 62 -0.574 -3.406 5.550
466 HG2 PRO 62 HG3 PRO 62 0.000 -2.772 8.419
467 HG3 PRO 62 HG2 PRO 62 0.566 -4.142 7.449
468 HD2 PRO 62 HD3 PRO 62 2.181 -2.111 7.917
469 HD3 PRO 62 HD2 PRO 62 2.112 -2.821 6.289
470 H LEU 63 H LEU 63 -2.473 -0.405 4.944
471 HA LEU 63 HA LEU 63 -3.132 1.715 6.649
472 HB2 LEU 63 HB3 LEU 63 -4.808 0.117 4.720
473 HB3 LEU 63 HB2 LEU 63 -5.396 1.543 5.554
474 HG LEU 63 HG LEU 63 -3.104 1.440 3.593
475 HD11 LEU 63 HD11 LEU 63 -5.318 1.239 2.564
476 HD12 LEU 63 HD12 LEU 63 -4.560 2.784 2.183
477 HD13 LEU 63 HD13 LEU 63 -5.835 2.703 3.400
478 HD21 LEU 63 HD21 LEU 63 -4.282 3.776 5.077
479 HD22 LEU 63 HD22 LEU 63 -3.038 3.850 3.826
480 HD23 LEU 63 HD23 LEU 63 -2.701 3.042 5.357
481 H TYR 64 H TYR 64 -4.437 1.913 8.360
482 HA TYR 64 HA TYR 64 -4.920 -0.287 10.037
483 HB2 TYR 64 HB3 TYR 64 -4.665 2.305 10.495
484 HB3 TYR 64 HB2 TYR 64 -6.421 2.276 10.356
485 HD1 TYR 64 HD1 TYR 64 -3.851 0.096 11.901
486 HD2 TYR 64 HD2 TYR 64 -7.475 2.248 12.411
487 HE1 TYR 64 HE1 TYR 64 -3.977 -0.689 14.234
488 HE2 TYR 64 HE2 TYR 64 -7.620 1.474 14.740
489 HH TYR 64 HH TYR 64 -4.987 -0.099 16.315