Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
563418 | 2m7m RC | 19196 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 1.198 0.791 0.586
2 HA MET 1 HA MET 1 2.356 0.447 -1.383
3 HB2 MET 1 HB2 MET 1 -0.262 0.757 -2.854
4 HB3 MET 1 HB3 MET 1 1.240 0.085 -3.476
5 HG2 MET 1 HG2 MET 1 0.508 -1.921 -2.918
6 HG3 MET 1 HG3 MET 1 0.618 -1.442 -1.225
7 HE1 MET 1 HE1 MET 1 -2.440 -3.534 -2.481
8 HE2 MET 1 HE2 MET 1 -0.832 -3.576 -1.758
9 HE3 MET 1 HE3 MET 1 -2.245 -3.257 -0.750
10 H ALA 2 H ALA 2 1.596 2.973 -0.036
11 HA ALA 2 HA ALA 2 2.845 4.783 -1.770
12 HB1 ALA 2 HB1 ALA 2 0.217 5.948 -1.576
13 HB2 ALA 2 HB2 ALA 2 1.236 5.702 -2.995
14 HB3 ALA 2 HB3 ALA 2 0.165 4.414 -2.445
15 H GLU 3 H GLU 3 1.911 7.205 -0.969
16 HA GLU 3 HA GLU 3 2.612 7.184 1.853
17 HB2 GLU 3 HB2 GLU 3 2.094 9.612 0.146
18 HB3 GLU 3 HB3 GLU 3 3.027 9.514 1.632
19 HG2 GLU 3 HG2 GLU 3 4.814 9.409 0.320
20 HG3 GLU 3 HG3 GLU 3 4.329 7.747 -0.009
21 H ALA 4 H ALA 4 -0.168 7.469 -0.118
22 HA ALA 4 HA ALA 4 -1.849 9.118 1.327
23 HB1 ALA 4 HB1 ALA 4 -2.335 8.026 -0.877
24 HB2 ALA 4 HB2 ALA 4 -2.723 6.554 0.014
25 HB3 ALA 4 HB3 ALA 4 -3.674 8.016 0.270
26 H LEU 5 H LEU 5 -0.688 5.947 2.110
27 HA LEU 5 HA LEU 5 -2.652 5.159 3.957
28 HB2 LEU 5 HB2 LEU 5 0.235 4.472 4.320
29 HB3 LEU 5 HB3 LEU 5 -1.192 3.477 4.611
30 HG LEU 5 HG LEU 5 0.051 4.167 1.953
31 HD11 LEU 5 HD11 LEU 5 1.049 2.188 2.078
32 HD12 LEU 5 HD12 LEU 5 -0.459 1.387 2.512
33 HD13 LEU 5 HD13 LEU 5 0.546 2.110 3.767
34 HD21 LEU 5 HD21 LEU 5 -2.123 4.152 1.288
35 HD22 LEU 5 HD22 LEU 5 -2.652 3.168 2.653
36 HD23 LEU 5 HD23 LEU 5 -1.830 2.413 1.286
37 H PHE 6 H PHE 6 0.229 7.157 4.297
38 HA PHE 6 HA PHE 6 0.277 7.321 7.097
39 HB2 PHE 6 HB2 PHE 6 2.209 8.080 5.992
40 HB3 PHE 6 HB3 PHE 6 1.289 9.122 4.913
41 HD1 PHE 6 HD2 PHE 6 0.226 11.196 5.841
42 HD2 PHE 6 HD1 PHE 6 3.035 8.871 8.039
43 HE1 PHE 6 HE2 PHE 6 0.624 13.104 7.344
44 HE2 PHE 6 HE1 PHE 6 3.436 10.775 9.545
45 HZ PHE 6 HZ PHE 6 2.231 12.895 9.198
46 H LYS 7 H LYS 7 -1.219 9.466 4.689
47 HA LYS 7 HA LYS 7 -2.408 11.161 6.665
48 HB2 LYS 7 HB2 LYS 7 -3.273 10.943 3.788
49 HB3 LYS 7 HB3 LYS 7 -3.385 12.337 4.854
50 HG2 LYS 7 HG2 LYS 7 -0.940 12.525 4.849
51 HG3 LYS 7 HG3 LYS 7 -0.850 11.151 3.745
52 HD2 LYS 7 HD2 LYS 7 -0.707 13.002 2.332
53 HD3 LYS 7 HD3 LYS 7 -2.406 12.535 2.232
54 HE2 LYS 7 HE2 LYS 7 -1.992 14.368 4.410
55 HE3 LYS 7 HE3 LYS 7 -1.353 15.043 2.911
56 HZ1 LYS 7 HZ1 LYS 7 -3.407 15.086 1.946
57 HZ2 LYS 7 HZ2 LYS 7 -3.847 15.355 3.556
58 HZ3 LYS 7 HZ3 LYS 7 -4.017 13.814 2.880
59 H GLU 8 H GLU 8 -3.340 8.258 5.008
60 HA GLU 8 HA GLU 8 -6.135 8.438 5.366
61 HB2 GLU 8 HB2 GLU 8 -4.996 6.856 3.816
62 HB3 GLU 8 HB3 GLU 8 -4.447 5.937 5.211
63 HG2 GLU 8 HG2 GLU 8 -6.289 4.728 4.745
64 HG3 GLU 8 HG3 GLU 8 -7.058 5.963 5.740
65 H ILE 9 H ILE 9 -3.564 7.011 7.340
66 HA ILE 9 HA ILE 9 -5.288 5.951 9.329
67 HB ILE 9 HB ILE 9 -2.358 6.668 9.472
68 HG12 ILE 9 HG12 ILE 9 -3.010 4.901 7.830
69 HG13 ILE 9 HG13 ILE 9 -1.958 4.315 9.114
70 HG21 ILE 9 HG21 ILE 9 -3.206 6.648 11.702
71 HG22 ILE 9 HG22 ILE 9 -4.108 5.164 11.405
72 HG23 ILE 9 HG23 ILE 9 -2.346 5.130 11.444
73 HD11 ILE 9 HD11 ILE 9 -3.760 3.230 10.206
74 HD12 ILE 9 HD12 ILE 9 -4.945 4.012 9.158
75 HD13 ILE 9 HD13 ILE 9 -3.846 2.801 8.497
76 H ASP 10 H ASP 10 -4.055 9.105 8.703
77 HA ASP 10 HA ASP 10 -4.456 10.080 11.393
78 HB2 ASP 10 HB2 ASP 10 -3.272 11.079 8.924
79 HB3 ASP 10 HB3 ASP 10 -4.250 12.297 9.737
80 H VAL 11 H VAL 11 -6.705 9.402 11.553
81 HA VAL 11 HA VAL 11 -8.749 10.408 9.901
82 HB VAL 11 HB VAL 11 -9.026 9.704 12.823
83 HG11 VAL 11 HG11 VAL 11 -11.091 10.485 12.318
84 HG12 VAL 11 HG12 VAL 11 -10.899 10.196 10.588
85 HG13 VAL 11 HG13 VAL 11 -11.286 8.857 11.669
86 HG21 VAL 11 HG21 VAL 11 -8.907 7.940 10.390
87 HG22 VAL 11 HG22 VAL 11 -7.934 7.843 11.858
88 HG23 VAL 11 HG23 VAL 11 -9.646 7.424 11.906
89 H ASN 12 H ASN 12 -6.819 11.933 12.256
90 HA ASN 12 HA ASN 12 -8.737 13.993 12.922
91 HB2 ASN 12 HB2 ASN 12 -6.648 15.025 14.032
92 HB3 ASN 12 HB3 ASN 12 -7.275 13.519 14.697
93 HD21 ASN 12 HD21 ASN 12 -5.241 13.082 15.597
94 HD22 ASN 12 HD22 ASN 12 -3.931 12.506 14.627
95 H GLY 13 H GLY 13 -6.962 13.368 10.240
96 HA2 GLY 13 HA2 GLY 13 -6.163 14.626 8.487
97 HA3 GLY 13 HA3 GLY 13 -7.472 15.718 8.912
98 H ASP 14 H ASP 14 -4.537 14.895 10.726
99 HA ASP 14 HA ASP 14 -3.923 17.759 10.867
100 HB2 ASP 14 HB2 ASP 14 -2.373 17.065 12.718
101 HB3 ASP 14 HB3 ASP 14 -4.074 16.728 13.028
102 H GLY 15 H GLY 15 -2.924 14.894 9.340
103 HA2 GLY 15 HA2 GLY 15 -1.260 14.549 7.782
104 HA3 GLY 15 HA3 GLY 15 -0.819 16.242 7.952
105 H ALA 16 H ALA 16 -0.907 14.682 10.935
106 HA ALA 16 HA ALA 16 1.943 13.984 10.810
107 HB1 ALA 16 HB1 ALA 16 0.646 16.015 12.537
108 HB2 ALA 16 HB2 ALA 16 1.906 15.014 13.259
109 HB3 ALA 16 HB3 ALA 16 2.264 15.989 11.833
110 H VAL 17 H VAL 17 2.524 12.210 11.961
111 HA VAL 17 HA VAL 17 0.454 10.961 13.650
112 HB VAL 17 HB VAL 17 1.250 8.758 12.909
113 HG11 VAL 17 HG11 VAL 17 -0.493 10.337 11.646
114 HG12 VAL 17 HG12 VAL 17 0.671 10.109 10.339
115 HG13 VAL 17 HG13 VAL 17 -0.102 8.711 11.087
116 HG21 VAL 17 HG21 VAL 17 2.610 9.071 10.597
117 HG22 VAL 17 HG22 VAL 17 3.260 10.415 11.536
118 HG23 VAL 17 HG23 VAL 17 3.376 8.768 12.156
119 H SER 18 H SER 18 1.088 10.833 15.690
120 HA SER 18 HA SER 18 3.883 11.063 16.394
121 HB2 SER 18 HB2 SER 18 2.497 10.572 18.743
122 HB3 SER 18 HB3 SER 18 2.880 12.162 18.084
123 HG SER 18 HG SER 18 0.670 12.025 18.464
124 H TYR 19 H TYR 19 4.507 9.590 18.393
125 HA TYR 19 HA TYR 19 5.089 7.079 17.479
126 HB2 TYR 19 HB2 TYR 19 5.498 6.450 19.837
127 HB3 TYR 19 HB3 TYR 19 6.173 8.026 19.440
128 HD1 TYR 19 HD1 TYR 19 5.013 10.091 20.232
129 HD2 TYR 19 HD2 TYR 19 3.835 6.210 21.515
130 HE1 TYR 19 HE1 TYR 19 3.797 11.092 22.123
131 HE2 TYR 19 HE2 TYR 19 2.615 7.199 23.407
132 HH TYR 19 HH TYR 19 1.894 10.475 23.620
133 H GLU 20 H GLU 20 2.293 8.037 19.440
134 HA GLU 20 HA GLU 20 1.191 5.501 19.826
135 HB2 GLU 20 HB2 GLU 20 -0.970 6.719 20.135
136 HB3 GLU 20 HB3 GLU 20 0.360 7.364 21.086
137 HG2 GLU 20 HG2 GLU 20 0.677 9.090 19.297
138 HG3 GLU 20 HG3 GLU 20 -0.823 8.513 18.575
139 H GLU 21 H GLU 21 0.613 7.861 17.234
140 HA GLU 21 HA GLU 21 -1.344 6.461 15.838
141 HB2 GLU 21 HB2 GLU 21 0.782 8.380 14.893
142 HB3 GLU 21 HB3 GLU 21 -0.451 7.731 13.822
143 HG2 GLU 21 HG2 GLU 21 -1.676 8.773 16.191
144 HG3 GLU 21 HG3 GLU 21 -0.617 9.986 15.473
145 H VAL 22 H VAL 22 2.183 6.267 15.610
146 HA VAL 22 HA VAL 22 2.328 4.521 13.419
147 HB VAL 22 HB VAL 22 4.227 4.896 15.735
148 HG11 VAL 22 HG11 VAL 22 4.823 2.792 14.943
149 HG12 VAL 22 HG12 VAL 22 4.436 3.204 13.271
150 HG13 VAL 22 HG13 VAL 22 5.876 3.876 14.035
151 HG21 VAL 22 HG21 VAL 22 5.018 6.668 14.642
152 HG22 VAL 22 HG22 VAL 22 5.097 5.782 13.119
153 HG23 VAL 22 HG23 VAL 22 3.594 6.563 13.607
154 H LYS 23 H LYS 23 2.527 3.783 16.903
155 HA LYS 23 HA LYS 23 2.661 1.017 16.697
156 HB2 LYS 23 HB2 LYS 23 2.175 2.960 18.776
157 HB3 LYS 23 HB3 LYS 23 1.142 1.554 19.000
158 HG2 LYS 23 HG2 LYS 23 4.084 1.264 18.515
159 HG3 LYS 23 HG3 LYS 23 3.436 1.562 20.130
160 HD2 LYS 23 HD2 LYS 23 2.572 -0.711 18.345
161 HD3 LYS 23 HD3 LYS 23 3.802 -0.849 19.605
162 HE2 LYS 23 HE2 LYS 23 1.363 0.379 20.583
163 HE3 LYS 23 HE3 LYS 23 1.071 -1.222 19.904
164 HZ1 LYS 23 HZ1 LYS 23 2.396 -0.489 22.337
165 HZ2 LYS 23 HZ2 LYS 23 3.314 -1.556 21.400
166 HZ3 LYS 23 HZ3 LYS 23 1.745 -1.979 21.870
167 H ALA 24 H ALA 24 -0.118 3.161 16.596
168 HA ALA 24 HA ALA 24 -2.109 1.154 16.817
169 HB1 ALA 24 HB1 ALA 24 -2.468 3.593 17.209
170 HB2 ALA 24 HB2 ALA 24 -2.385 3.831 15.463
171 HB3 ALA 24 HB3 ALA 24 -3.668 2.840 16.158
172 H PHE 25 H PHE 25 -0.542 2.712 14.049
173 HA PHE 25 HA PHE 25 -2.053 1.691 11.981
174 HB2 PHE 25 HB2 PHE 25 0.014 3.291 11.974
175 HB3 PHE 25 HB3 PHE 25 0.933 1.810 11.729
176 HD1 PHE 25 HD2 PHE 25 -1.852 0.855 10.199
177 HD2 PHE 25 HD1 PHE 25 1.139 3.847 9.734
178 HE1 PHE 25 HE2 PHE 25 -2.333 0.956 7.789
179 HE2 PHE 25 HE1 PHE 25 0.662 3.954 7.323
180 HZ PHE 25 HZ PHE 25 -1.075 2.507 6.347
181 H VAL 26 H VAL 26 0.848 0.220 13.435
182 HA VAL 26 HA VAL 26 0.674 -2.174 11.915
183 HB VAL 26 HB VAL 26 2.656 -1.112 13.352
184 HG11 VAL 26 HG11 VAL 26 1.671 -3.304 15.165
185 HG12 VAL 26 HG12 VAL 26 3.039 -2.219 15.417
186 HG13 VAL 26 HG13 VAL 26 1.391 -1.590 15.476
187 HG21 VAL 26 HG21 VAL 26 3.695 -3.440 13.328
188 HG22 VAL 26 HG22 VAL 26 2.155 -3.996 12.672
189 HG23 VAL 26 HG23 VAL 26 3.111 -2.806 11.788
190 H SER 27 H SER 27 -0.697 -1.117 14.939
191 HA SER 27 HA SER 27 -1.371 -3.637 16.008
192 HB2 SER 27 HB2 SER 27 -2.099 -0.826 16.523
193 HB3 SER 27 HB3 SER 27 -3.325 -2.004 16.989
194 HG SER 27 HG SER 27 -0.615 -2.320 17.721
195 H LYS 28 H LYS 28 -2.740 -1.752 13.467
196 HA LYS 28 HA LYS 28 -5.343 -2.930 13.504
197 HB2 LYS 28 HB2 LYS 28 -3.823 -1.325 11.457
198 HB3 LYS 28 HB3 LYS 28 -5.427 -1.969 11.132
199 HG2 LYS 28 HG2 LYS 28 -4.764 -0.130 13.421
200 HG3 LYS 28 HG3 LYS 28 -5.425 0.393 11.869
201 HD2 LYS 28 HD2 LYS 28 -6.742 -1.552 13.764
202 HD3 LYS 28 HD3 LYS 28 -7.166 0.152 13.591
203 HE2 LYS 28 HE2 LYS 28 -7.496 -0.428 11.095
204 HE3 LYS 28 HE3 LYS 28 -7.550 -2.100 11.651
205 HZ1 LYS 28 HZ1 LYS 28 -9.663 -0.415 11.547
206 HZ2 LYS 28 HZ2 LYS 28 -9.222 -0.328 13.177
207 HZ3 LYS 28 HZ3 LYS 28 -9.587 -1.826 12.478
208 H LYS 29 H LYS 29 -2.357 -4.162 12.725
209 HA LYS 29 HA LYS 29 -3.470 -6.054 10.765
210 HB2 LYS 29 HB2 LYS 29 -0.543 -5.710 11.372
211 HB3 LYS 29 HB3 LYS 29 -1.289 -6.419 9.945
212 HG2 LYS 29 HG2 LYS 29 -1.231 -3.510 10.708
213 HG3 LYS 29 HG3 LYS 29 -0.390 -4.283 9.363
214 HD2 LYS 29 HD2 LYS 29 -3.384 -4.078 9.686
215 HD3 LYS 29 HD3 LYS 29 -2.394 -3.090 8.610
216 HE2 LYS 29 HE2 LYS 29 -1.623 -5.512 7.790
217 HE3 LYS 29 HE3 LYS 29 -3.238 -5.920 8.366
218 HZ1 LYS 29 HZ1 LYS 29 -3.072 -3.545 6.714
219 HZ2 LYS 29 HZ2 LYS 29 -4.207 -4.799 6.697
220 HZ3 LYS 29 HZ3 LYS 29 -2.718 -4.995 5.919
221 H ARG 30 H ARG 30 -2.141 -5.734 13.936
222 HA ARG 30 HA ARG 30 -2.984 -8.289 14.749
223 HB2 ARG 30 HB2 ARG 30 -0.730 -9.284 15.207
224 HB3 ARG 30 HB3 ARG 30 -1.149 -9.186 13.502
225 HG2 ARG 30 HG2 ARG 30 0.167 -6.808 13.982
226 HG3 ARG 30 HG3 ARG 30 1.057 -7.989 14.946
227 HD2 ARG 30 HD2 ARG 30 0.522 -8.021 11.988
228 HD3 ARG 30 HD3 ARG 30 2.079 -7.966 12.813
229 HE ARG 30 HE ARG 30 1.056 -10.303 13.663
230 HH11 ARG 30 HH11 ARG 30 1.407 -8.906 10.493
231 HH12 ARG 30 HH12 ARG 30 1.578 -10.436 9.696
232 HH21 ARG 30 HH21 ARG 30 1.281 -12.322 12.625
233 HH22 ARG 30 HH22 ARG 30 1.506 -12.377 10.909
234 H ALA 31 H ALA 31 -1.515 -8.854 16.902
235 HA ALA 31 HA ALA 31 -1.538 -6.349 18.456
236 HB1 ALA 31 HB1 ALA 31 -2.663 -7.348 20.127
237 HB2 ALA 31 HB2 ALA 31 -3.157 -8.473 18.861
238 HB3 ALA 31 HB3 ALA 31 -1.812 -8.881 19.925
239 H ILE 32 H ILE 32 0.612 -5.811 18.324
240 HA ILE 32 HA ILE 32 2.456 -7.645 19.697
241 HB ILE 32 HB ILE 32 3.132 -6.030 17.236
242 HG12 ILE 32 HG12 ILE 32 3.069 -9.032 17.599
243 HG13 ILE 32 HG13 ILE 32 1.772 -8.104 16.853
244 HG21 ILE 32 HG21 ILE 32 4.845 -7.884 18.885
245 HG22 ILE 32 HG22 ILE 32 5.328 -7.091 17.387
246 HG23 ILE 32 HG23 ILE 32 4.983 -6.127 18.822
247 HD11 ILE 32 HD11 ILE 32 3.479 -7.292 15.189
248 HD12 ILE 32 HD12 ILE 32 4.569 -8.511 15.850
249 HD13 ILE 32 HD13 ILE 32 3.052 -9.000 15.096
250 H LYS 33 H LYS 33 2.683 -6.589 21.588
251 HA LYS 33 HA LYS 33 2.900 -3.713 21.704
252 HB2 LYS 33 HB2 LYS 33 3.237 -4.125 24.156
253 HB3 LYS 33 HB3 LYS 33 1.735 -4.769 23.506
254 HG2 LYS 33 HG2 LYS 33 2.252 -6.739 24.361
255 HG3 LYS 33 HG3 LYS 33 3.640 -6.821 23.274
256 HD2 LYS 33 HD2 LYS 33 4.475 -7.129 25.476
257 HD3 LYS 33 HD3 LYS 33 4.921 -5.492 24.988
258 HE2 LYS 33 HE2 LYS 33 2.637 -4.883 26.143
259 HE3 LYS 33 HE3 LYS 33 2.910 -6.404 26.991
260 HZ1 LYS 33 HZ1 LYS 33 4.440 -5.456 28.266
261 HZ2 LYS 33 HZ2 LYS 33 3.967 -3.959 27.638
262 HZ3 LYS 33 HZ3 LYS 33 5.261 -4.797 26.941
263 H ASN 34 H ASN 34 4.746 -2.867 20.946
264 HA ASN 34 HA ASN 34 7.273 -3.977 21.977
265 HB2 ASN 34 HB2 ASN 34 6.734 -2.763 19.259
266 HB3 ASN 34 HB3 ASN 34 8.337 -3.165 19.867
267 HD21 ASN 34 HD21 ASN 34 7.144 -4.208 17.525
268 HD22 ASN 34 HD22 ASN 34 6.962 -5.912 17.741
269 H GLU 35 H GLU 35 7.743 -2.602 23.603
270 HA GLU 35 HA GLU 35 7.215 0.206 23.473
271 HB2 GLU 35 HB2 GLU 35 7.697 -1.584 25.503
272 HB3 GLU 35 HB3 GLU 35 9.194 -0.664 25.451
273 HG2 GLU 35 HG2 GLU 35 6.480 0.615 25.610
274 HG3 GLU 35 HG3 GLU 35 7.440 0.190 27.026
275 H GLN 36 H GLN 36 10.105 -1.811 23.161
276 HA GLN 36 HA GLN 36 11.901 0.382 22.855
277 HB2 GLN 36 HB2 GLN 36 12.284 -2.195 23.452
278 HB3 GLN 36 HB3 GLN 36 12.586 -2.279 21.722
279 HG2 GLN 36 HG2 GLN 36 14.001 -0.047 22.720
280 HG3 GLN 36 HG3 GLN 36 14.315 -1.407 23.798
281 HE21 GLN 36 HE21 GLN 36 16.015 -2.555 23.265
282 HE22 GLN 36 HE22 GLN 36 16.626 -2.801 21.668
283 H LEU 37 H LEU 37 10.444 -1.919 20.568
284 HA LEU 37 HA LEU 37 11.604 -0.868 18.243
285 HB2 LEU 37 HB2 LEU 37 10.266 -3.052 18.638
286 HB3 LEU 37 HB3 LEU 37 8.858 -2.060 18.267
287 HG LEU 37 HG LEU 37 10.181 -1.481 16.095
288 HD11 LEU 37 HD11 LEU 37 11.307 -3.978 15.706
289 HD12 LEU 37 HD12 LEU 37 11.842 -3.514 17.321
290 HD13 LEU 37 HD13 LEU 37 12.173 -2.459 15.948
291 HD21 LEU 37 HD21 LEU 37 8.892 -4.168 16.563
292 HD22 LEU 37 HD22 LEU 37 9.177 -3.435 14.984
293 HD23 LEU 37 HD23 LEU 37 8.070 -2.670 16.126
294 H LEU 38 H LEU 38 8.636 -0.029 19.954
295 HA LEU 38 HA LEU 38 7.562 1.710 18.024
296 HB2 LEU 38 HB2 LEU 38 6.204 0.901 19.824
297 HB3 LEU 38 HB3 LEU 38 7.267 1.637 21.021
298 HG LEU 38 HG LEU 38 4.989 2.743 20.483
299 HD11 LEU 38 HD11 LEU 38 6.857 4.918 20.291
300 HD12 LEU 38 HD12 LEU 38 7.449 3.691 21.410
301 HD13 LEU 38 HD13 LEU 38 5.859 4.414 21.654
302 HD21 LEU 38 HD21 LEU 38 4.715 3.910 18.563
303 HD22 LEU 38 HD22 LEU 38 5.822 2.686 17.941
304 HD23 LEU 38 HD23 LEU 38 6.435 4.273 18.407
305 H GLN 39 H GLN 39 9.626 2.356 20.846
306 HA GLN 39 HA GLN 39 9.788 5.143 20.479
307 HB2 GLN 39 HB2 GLN 39 10.689 3.334 22.365
308 HB3 GLN 39 HB3 GLN 39 12.177 3.938 21.648
309 HG2 GLN 39 HG2 GLN 39 10.187 5.987 22.338
310 HG3 GLN 39 HG3 GLN 39 10.890 5.115 23.699
311 HE21 GLN 39 HE21 GLN 39 11.896 6.663 20.668
312 HE22 GLN 39 HE22 GLN 39 13.318 7.398 21.316
313 H LEU 40 H LEU 40 12.051 2.550 19.561
314 HA LEU 40 HA LEU 40 13.930 4.190 18.285
315 HB2 LEU 40 HB2 LEU 40 13.787 1.560 18.891
316 HB3 LEU 40 HB3 LEU 40 13.515 1.504 17.150
317 HG LEU 40 HG LEU 40 15.934 2.602 18.577
318 HD11 LEU 40 HD11 LEU 40 15.306 0.104 17.097
319 HD12 LEU 40 HD12 LEU 40 16.304 0.352 18.529
320 HD13 LEU 40 HD13 LEU 40 16.922 0.791 16.936
321 HD21 LEU 40 HD21 LEU 40 16.677 2.636 16.030
322 HD22 LEU 40 HD22 LEU 40 15.905 4.023 16.801
323 HD23 LEU 40 HD23 LEU 40 14.954 2.929 15.796
324 H ILE 41 H ILE 41 11.255 2.293 16.893
325 HA ILE 41 HA ILE 41 11.630 3.131 14.238
326 HB ILE 41 HB ILE 41 9.167 2.128 15.659
327 HG12 ILE 41 HG12 ILE 41 11.068 0.552 15.399
328 HG13 ILE 41 HG13 ILE 41 9.641 0.047 14.502
329 HG21 ILE 41 HG21 ILE 41 8.292 1.732 13.329
330 HG22 ILE 41 HG22 ILE 41 8.337 3.414 13.852
331 HG23 ILE 41 HG23 ILE 41 9.572 2.801 12.755
332 HD11 ILE 41 HD11 ILE 41 12.222 0.276 13.534
333 HD12 ILE 41 HD12 ILE 41 10.750 0.063 12.586
334 HD13 ILE 41 HD13 ILE 41 11.382 1.682 12.882
335 H PHE 42 H PHE 42 9.906 4.563 16.929
336 HA PHE 42 HA PHE 42 8.338 6.417 15.543
337 HB2 PHE 42 HB2 PHE 42 7.891 6.096 17.855
338 HB3 PHE 42 HB3 PHE 42 9.554 6.467 18.303
339 HD1 PHE 42 HD1 PHE 42 6.880 8.163 16.321
340 HD2 PHE 42 HD2 PHE 42 9.770 8.442 19.432
341 HE1 PHE 42 HE1 PHE 42 6.249 10.512 16.691
342 HE2 PHE 42 HE2 PHE 42 9.145 10.790 19.808
343 HZ PHE 42 HZ PHE 42 7.382 11.830 18.438
344 H LYS 43 H LYS 43 11.571 6.835 16.980
345 HA LYS 43 HA LYS 43 11.915 9.462 15.927
346 HB2 LYS 43 HB2 LYS 43 13.198 7.903 17.826
347 HB3 LYS 43 HB3 LYS 43 14.385 8.036 16.536
348 HG2 LYS 43 HG2 LYS 43 13.176 10.593 17.071
349 HG3 LYS 43 HG3 LYS 43 13.851 9.891 18.543
350 HD2 LYS 43 HD2 LYS 43 15.961 9.462 17.227
351 HD3 LYS 43 HD3 LYS 43 15.264 10.453 15.944
352 HE2 LYS 43 HE2 LYS 43 15.221 11.634 18.644
353 HE3 LYS 43 HE3 LYS 43 16.819 11.420 17.929
354 HZ1 LYS 43 HZ1 LYS 43 15.605 13.596 17.487
355 HZ2 LYS 43 HZ2 LYS 43 14.625 12.712 16.429
356 HZ3 LYS 43 HZ3 LYS 43 16.292 12.809 16.156
357 H SER 44 H SER 44 12.673 6.239 14.813
358 HA SER 44 HA SER 44 14.496 6.964 12.773
359 HB2 SER 44 HB2 SER 44 12.806 4.534 13.299
360 HB3 SER 44 HB3 SER 44 13.726 4.679 11.802
361 HG SER 44 HG SER 44 15.328 3.962 12.949
362 H ILE 45 H ILE 45 11.018 6.211 12.677
363 HA ILE 45 HA ILE 45 10.708 6.770 9.919
364 HB ILE 45 HB ILE 45 8.667 6.725 12.142
365 HG12 ILE 45 HG12 ILE 45 9.430 4.697 10.031
366 HG13 ILE 45 HG13 ILE 45 9.746 4.571 11.758
367 HG21 ILE 45 HG21 ILE 45 6.989 6.548 10.343
368 HG22 ILE 45 HG22 ILE 45 7.838 8.094 10.332
369 HG23 ILE 45 HG23 ILE 45 8.260 6.847 9.158
370 HD11 ILE 45 HD11 ILE 45 7.067 4.515 10.397
371 HD12 ILE 45 HD12 ILE 45 7.887 3.180 11.209
372 HD13 ILE 45 HD13 ILE 45 7.298 4.555 12.144
373 H ASP 46 H ASP 46 10.681 8.754 12.776
374 HA ASP 46 HA ASP 46 9.552 11.040 11.388
375 HB2 ASP 46 HB2 ASP 46 9.324 10.340 13.936
376 HB3 ASP 46 HB3 ASP 46 10.806 11.280 14.085
377 H ALA 47 H ALA 47 10.725 12.411 10.235
378 HA ALA 47 HA ALA 47 13.526 12.223 9.983
379 HB1 ALA 47 HB1 ALA 47 11.961 13.091 8.244
380 HB2 ALA 47 HB2 ALA 47 11.812 14.571 9.191
381 HB3 ALA 47 HB3 ALA 47 13.376 14.108 8.521
382 H ASP 48 H ASP 48 11.452 14.474 11.763
383 HA ASP 48 HA ASP 48 13.858 15.631 13.001
384 HB2 ASP 48 HB2 ASP 48 12.389 17.533 13.631
385 HB3 ASP 48 HB3 ASP 48 12.494 17.298 11.888
386 H GLY 49 H GLY 49 11.162 13.635 13.560
387 HA2 GLY 49 HA2 GLY 49 10.358 12.597 15.442
388 HA3 GLY 49 HA3 GLY 49 11.928 12.934 16.156
389 H ASN 50 H ASN 50 9.704 15.408 15.034
390 HA ASN 50 HA ASN 50 9.704 16.595 17.676
391 HB2 ASN 50 HB2 ASN 50 8.491 18.454 16.580
392 HB3 ASN 50 HB3 ASN 50 9.990 18.055 15.747
393 HD21 ASN 50 HD21 ASN 50 8.003 19.485 14.513
394 HD22 ASN 50 HD22 ASN 50 7.299 18.529 13.258
395 H GLY 51 H GLY 51 8.502 14.888 18.735
396 HA2 GLY 51 HA2 GLY 51 6.563 14.175 19.748
397 HA3 GLY 51 HA3 GLY 51 5.736 15.506 18.952
398 H GLU 52 H GLU 52 6.123 14.878 16.293
399 HA GLU 52 HA GLU 52 5.250 12.148 15.860
400 HB2 GLU 52 HB2 GLU 52 3.232 13.034 14.536
401 HB3 GLU 52 HB3 GLU 52 3.106 12.979 16.288
402 HG2 GLU 52 HG2 GLU 52 2.226 15.056 15.195
403 HG3 GLU 52 HG3 GLU 52 3.401 15.309 16.485
404 H ILE 53 H ILE 53 4.925 11.708 13.500
405 HA ILE 53 HA ILE 53 6.986 13.124 11.993
406 HB ILE 53 HB ILE 53 5.516 10.687 11.029
407 HG12 ILE 53 HG12 ILE 53 7.943 9.829 12.122
408 HG13 ILE 53 HG13 ILE 53 7.259 10.899 13.341
409 HG21 ILE 53 HG21 ILE 53 8.117 12.034 10.417
410 HG22 ILE 53 HG22 ILE 53 7.885 10.323 10.055
411 HG23 ILE 53 HG23 ILE 53 6.832 11.531 9.318
412 HD11 ILE 53 HD11 ILE 53 5.666 9.438 13.890
413 HD12 ILE 53 HD12 ILE 53 5.347 9.002 12.211
414 HD13 ILE 53 HD13 ILE 53 6.693 8.258 13.075
415 H ASP 54 H ASP 54 6.516 14.568 10.480
416 HA ASP 54 HA ASP 54 3.789 15.141 9.792
417 HB2 ASP 54 HB2 ASP 54 6.213 16.328 8.453
418 HB3 ASP 54 HB3 ASP 54 4.623 17.051 8.676
419 H GLN 55 H GLN 55 3.021 15.319 7.562
420 HA GLN 55 HA GLN 55 3.209 12.927 6.161
421 HB2 GLN 55 HB2 GLN 55 2.129 14.180 4.279
422 HB3 GLN 55 HB3 GLN 55 1.313 14.348 5.828
423 HG2 GLN 55 HG2 GLN 55 2.506 16.523 6.125
424 HG3 GLN 55 HG3 GLN 55 3.087 16.358 4.469
425 HE21 GLN 55 HE21 GLN 55 2.021 18.187 3.762
426 HE22 GLN 55 HE22 GLN 55 0.303 18.252 3.578
427 H ASN 56 H ASN 56 4.827 16.024 5.529
428 HA ASN 56 HA ASN 56 6.150 15.295 3.180
429 HB2 ASN 56 HB2 ASN 56 6.022 17.559 4.743
430 HB3 ASN 56 HB3 ASN 56 7.699 17.061 4.933
431 HD21 ASN 56 HD21 ASN 56 5.223 17.669 2.490
432 HD22 ASN 56 HD22 ASN 56 6.309 18.249 1.278
433 H GLU 57 H GLU 57 7.254 15.109 6.557
434 HA GLU 57 HA GLU 57 9.804 14.091 6.064
435 HB2 GLU 57 HB2 GLU 57 8.042 13.475 8.441
436 HB3 GLU 57 HB3 GLU 57 9.793 13.347 8.378
437 HG2 GLU 57 HG2 GLU 57 10.070 15.677 8.293
438 HG3 GLU 57 HG3 GLU 57 8.369 15.944 7.916
439 H PHE 58 H PHE 58 6.716 12.422 6.502
440 HA PHE 58 HA PHE 58 7.730 9.797 6.491
441 HB2 PHE 58 HB2 PHE 58 5.366 10.664 7.113
442 HB3 PHE 58 HB3 PHE 58 5.022 10.501 5.395
443 HD1 PHE 58 HD1 PHE 58 5.812 8.706 8.488
444 HD2 PHE 58 HD2 PHE 58 4.812 8.344 4.368
445 HE1 PHE 58 HE1 PHE 58 5.334 6.315 8.818
446 HE2 PHE 58 HE2 PHE 58 4.329 5.952 4.692
447 HZ PHE 58 HZ PHE 58 4.590 4.936 6.919
448 H ALA 59 H ALA 59 6.546 11.877 3.880
449 HA ALA 59 HA ALA 59 6.688 10.008 1.799
450 HB1 ALA 59 HB1 ALA 59 7.256 12.399 0.578
451 HB2 ALA 59 HB2 ALA 59 5.641 11.775 0.921
452 HB3 ALA 59 HB3 ALA 59 6.409 12.899 2.042
453 H LYS 60 H LYS 60 9.080 12.443 2.825
454 HA LYS 60 HA LYS 60 11.066 11.660 0.974
455 HB2 LYS 60 HB2 LYS 60 10.874 13.457 3.291
456 HB3 LYS 60 HB3 LYS 60 12.477 12.779 3.038
457 HG2 LYS 60 HG2 LYS 60 12.181 14.948 1.930
458 HG3 LYS 60 HG3 LYS 60 12.536 13.651 0.787
459 HD2 LYS 60 HD2 LYS 60 10.622 13.993 -0.300
460 HD3 LYS 60 HD3 LYS 60 9.690 13.918 1.197
461 HE2 LYS 60 HE2 LYS 60 9.354 16.066 0.157
462 HE3 LYS 60 HE3 LYS 60 10.286 16.277 1.639
463 HZ1 LYS 60 HZ1 LYS 60 12.275 16.527 0.381
464 HZ2 LYS 60 HZ2 LYS 60 11.122 17.568 -0.289
465 HZ3 LYS 60 HZ3 LYS 60 11.499 16.113 -1.064
466 H PHE 61 H PHE 61 10.087 10.410 4.044
467 HA PHE 61 HA PHE 61 12.529 8.955 4.524
468 HB2 PHE 61 HB2 PHE 61 11.429 9.540 6.506
469 HB3 PHE 61 HB3 PHE 61 9.849 9.087 5.874
470 HD1 PHE 61 HD1 PHE 61 13.126 7.334 6.253
471 HD2 PHE 61 HD2 PHE 61 8.939 7.329 7.020
472 HE1 PHE 61 HE1 PHE 61 13.330 5.135 7.337
473 HE2 PHE 61 HE2 PHE 61 9.137 5.131 8.105
474 HZ PHE 61 HZ PHE 61 11.334 4.031 8.266
475 H TYR 62 H TYR 62 9.410 8.348 3.075
476 HA TYR 62 HA TYR 62 9.389 5.563 3.063
477 HB2 TYR 62 HB2 TYR 62 7.423 6.763 2.399
478 HB3 TYR 62 HB3 TYR 62 8.278 7.550 1.077
479 HD1 TYR 62 HD2 TYR 62 7.463 4.098 2.266
480 HD2 TYR 62 HD1 TYR 62 7.951 6.719 -1.049
481 HE1 TYR 62 HE2 TYR 62 6.755 2.298 0.746
482 HE2 TYR 62 HE1 TYR 62 7.244 4.927 -2.579
483 HH TYR 62 HH TYR 62 6.573 1.661 -1.394
484 H GLY 63 H GLY 63 10.795 4.169 2.246
485 HA2 GLY 63 HA2 GLY 63 12.063 3.131 0.590
486 HA3 GLY 63 HA3 GLY 63 11.855 4.551 -0.425
487 H SER 64 H SER 64 12.812 5.598 2.562
488 HA SER 64 HA SER 64 14.729 6.602 3.282
489 HB2 SER 64 HB2 SER 64 15.319 4.331 3.877
490 HB3 SER 64 HB3 SER 64 15.860 3.998 2.232
491 HG SER 64 HG SER 64 17.542 5.463 2.531
492 H ILE 65 H ILE 65 14.043 7.819 1.067
493 HA ILE 65 HA ILE 65 16.285 7.779 -0.808
494 HB ILE 65 HB ILE 65 13.859 7.850 -1.577
495 HG12 ILE 65 HG12 ILE 65 15.028 10.213 -2.834
496 HG13 ILE 65 HG13 ILE 65 16.180 8.894 -2.662
497 HG21 ILE 65 HG21 ILE 65 13.149 9.556 0.076
498 HG22 ILE 65 HG22 ILE 65 14.104 10.751 -0.802
499 HG23 ILE 65 HG23 ILE 65 12.729 9.973 -1.585
500 HD11 ILE 65 HD11 ILE 65 14.688 9.111 -4.794
501 HD12 ILE 65 HD12 ILE 65 15.034 7.529 -4.093
502 HD13 ILE 65 HD13 ILE 65 13.487 8.314 -3.779
503 H GLN 66 H GLN 66 16.162 8.966 2.040
504 HA GLN 66 HA GLN 66 16.355 11.752 1.891
505 HB2 GLN 66 HB2 GLN 66 17.543 9.744 3.797
506 HB3 GLN 66 HB3 GLN 66 17.779 11.476 3.997
507 HG2 GLN 66 HG2 GLN 66 15.274 11.704 4.001
508 HG3 GLN 66 HG3 GLN 66 15.197 9.945 4.093
509 HE21 GLN 66 HE21 GLN 66 15.774 12.867 5.787
510 HE22 GLN 66 HE22 GLN 66 16.016 12.175 7.352
Start of MODEL 2
1 H1 MET 1 H MET 1 -1.168 7.159 -5.485
2 HA MET 1 HA MET 1 -2.607 7.689 -3.316
3 HB2 MET 1 HB2 MET 1 -2.598 4.683 -3.633
4 HB3 MET 1 HB3 MET 1 -3.075 5.536 -2.172
5 HG2 MET 1 HG2 MET 1 -4.889 6.623 -3.418
6 HG3 MET 1 HG3 MET 1 -4.424 5.713 -4.854
7 HE1 MET 1 HE1 MET 1 -7.514 3.999 -4.463
8 HE2 MET 1 HE2 MET 1 -7.741 5.112 -3.114
9 HE3 MET 1 HE3 MET 1 -6.940 5.663 -4.586
10 H ALA 2 H ALA 2 -0.134 8.293 -3.904
11 HA ALA 2 HA ALA 2 1.791 6.542 -2.663
12 HB1 ALA 2 HB1 ALA 2 1.934 8.560 -4.543
13 HB2 ALA 2 HB2 ALA 2 2.699 9.261 -3.116
14 HB3 ALA 2 HB3 ALA 2 3.298 7.742 -3.782
15 H GLU 3 H GLU 3 1.997 6.387 -0.534
16 HA GLU 3 HA GLU 3 2.161 6.923 1.671
17 HB2 GLU 3 HB2 GLU 3 3.194 9.175 0.273
18 HB3 GLU 3 HB3 GLU 3 2.233 9.777 1.616
19 HG2 GLU 3 HG2 GLU 3 4.592 9.490 2.204
20 HG3 GLU 3 HG3 GLU 3 3.527 8.483 3.183
21 H ALA 4 H ALA 4 -0.413 7.263 -0.030
22 HA ALA 4 HA ALA 4 -2.048 9.162 1.260
23 HB1 ALA 4 HB1 ALA 4 -3.533 8.526 -0.267
24 HB2 ALA 4 HB2 ALA 4 -2.328 7.378 -0.852
25 HB3 ALA 4 HB3 ALA 4 -3.533 6.865 0.329
26 H LEU 5 H LEU 5 -1.072 5.937 2.114
27 HA LEU 5 HA LEU 5 -3.115 5.314 3.945
28 HB2 LEU 5 HB2 LEU 5 -0.297 4.407 4.348
29 HB3 LEU 5 HB3 LEU 5 -1.802 3.527 4.615
30 HG LEU 5 HG LEU 5 -0.465 4.109 1.977
31 HD11 LEU 5 HD11 LEU 5 -0.057 2.071 3.772
32 HD12 LEU 5 HD12 LEU 5 0.309 2.019 2.047
33 HD13 LEU 5 HD13 LEU 5 -1.222 1.378 2.643
34 HD21 LEU 5 HD21 LEU 5 -2.552 2.399 1.474
35 HD22 LEU 5 HD22 LEU 5 -2.524 4.125 1.112
36 HD23 LEU 5 HD23 LEU 5 -3.255 3.550 2.611
37 H PHE 6 H PHE 6 -0.127 7.136 4.263
38 HA PHE 6 HA PHE 6 -0.056 7.308 7.067
39 HB2 PHE 6 HB2 PHE 6 1.920 7.938 5.962
40 HB3 PHE 6 HB3 PHE 6 1.067 9.016 4.863
41 HD1 PHE 6 HD1 PHE 6 0.128 11.165 5.755
42 HD2 PHE 6 HD2 PHE 6 2.789 8.714 7.997
43 HE1 PHE 6 HE1 PHE 6 0.637 13.070 7.228
44 HE2 PHE 6 HE2 PHE 6 3.301 10.614 9.474
45 HZ PHE 6 HZ PHE 6 2.224 12.795 9.090
46 H LYS 7 H LYS 7 -1.413 9.531 4.646
47 HA LYS 7 HA LYS 7 -2.501 11.294 6.625
48 HB2 LYS 7 HB2 LYS 7 -2.902 11.066 3.642
49 HB3 LYS 7 HB3 LYS 7 -3.700 12.287 4.624
50 HG2 LYS 7 HG2 LYS 7 -1.424 13.039 5.362
51 HG3 LYS 7 HG3 LYS 7 -0.751 11.955 4.143
52 HD2 LYS 7 HD2 LYS 7 -1.739 13.172 2.376
53 HD3 LYS 7 HD3 LYS 7 -2.790 14.064 3.478
54 HE2 LYS 7 HE2 LYS 7 -0.615 14.964 4.499
55 HE3 LYS 7 HE3 LYS 7 0.165 14.361 3.038
56 HZ1 LYS 7 HZ1 LYS 7 -0.751 15.967 1.779
57 HZ2 LYS 7 HZ2 LYS 7 -0.856 16.800 3.247
58 HZ3 LYS 7 HZ3 LYS 7 -2.208 15.989 2.638
59 H GLU 8 H GLU 8 -3.600 8.473 4.932
60 HA GLU 8 HA GLU 8 -6.383 8.836 5.257
61 HB2 GLU 8 HB2 GLU 8 -5.365 7.203 3.694
62 HB3 GLU 8 HB3 GLU 8 -4.840 6.244 5.071
63 HG2 GLU 8 HG2 GLU 8 -6.763 5.166 4.405
64 HG3 GLU 8 HG3 GLU 8 -7.336 6.205 5.710
65 H ILE 9 H ILE 9 -3.935 7.226 7.244
66 HA ILE 9 HA ILE 9 -5.746 6.254 9.200
67 HB ILE 9 HB ILE 9 -2.777 6.776 9.351
68 HG12 ILE 9 HG12 ILE 9 -3.520 5.025 7.755
69 HG13 ILE 9 HG13 ILE 9 -2.566 4.371 9.082
70 HG21 ILE 9 HG21 ILE 9 -3.525 6.859 11.587
71 HG22 ILE 9 HG22 ILE 9 -4.651 5.525 11.339
72 HG23 ILE 9 HG23 ILE 9 -2.914 5.222 11.348
73 HD11 ILE 9 HD11 ILE 9 -4.636 3.658 10.189
74 HD12 ILE 9 HD12 ILE 9 -5.561 4.267 8.816
75 HD13 ILE 9 HD13 ILE 9 -4.434 2.928 8.598
76 H ASP 10 H ASP 10 -4.275 9.327 8.645
77 HA ASP 10 HA ASP 10 -4.607 10.311 11.324
78 HB2 ASP 10 HB2 ASP 10 -3.690 11.420 8.724
79 HB3 ASP 10 HB3 ASP 10 -4.324 12.568 9.900
80 H VAL 11 H VAL 11 -6.886 9.628 11.491
81 HA VAL 11 HA VAL 11 -8.948 10.741 9.951
82 HB VAL 11 HB VAL 11 -9.156 9.973 12.861
83 HG11 VAL 11 HG11 VAL 11 -11.078 10.564 10.695
84 HG12 VAL 11 HG12 VAL 11 -11.467 9.201 11.744
85 HG13 VAL 11 HG13 VAL 11 -11.219 10.805 12.435
86 HG21 VAL 11 HG21 VAL 11 -9.171 8.256 10.389
87 HG22 VAL 11 HG22 VAL 11 -8.123 8.120 11.802
88 HG23 VAL 11 HG23 VAL 11 -9.836 7.726 11.934
89 H ASN 12 H ASN 12 -6.931 12.138 12.327
90 HA ASN 12 HA ASN 12 -8.771 14.235 13.079
91 HB2 ASN 12 HB2 ASN 12 -6.634 15.177 14.175
92 HB3 ASN 12 HB3 ASN 12 -7.289 13.669 14.808
93 HD21 ASN 12 HD21 ASN 12 -5.210 13.225 15.659
94 HD22 ASN 12 HD22 ASN 12 -3.952 12.615 14.645
95 H GLY 13 H GLY 13 -7.092 13.639 10.337
96 HA2 GLY 13 HA2 GLY 13 -6.322 14.921 8.592
97 HA3 GLY 13 HA3 GLY 13 -7.545 16.069 9.117
98 H ASP 14 H ASP 14 -4.560 14.999 10.716
99 HA ASP 14 HA ASP 14 -3.767 17.821 10.911
100 HB2 ASP 14 HB2 ASP 14 -2.240 17.017 12.726
101 HB3 ASP 14 HB3 ASP 14 -3.951 16.769 13.066
102 H GLY 15 H GLY 15 -3.010 14.904 9.343
103 HA2 GLY 15 HA2 GLY 15 -1.387 14.403 7.793
104 HA3 GLY 15 HA3 GLY 15 -0.895 16.088 7.861
105 H ALA 16 H ALA 16 -0.932 14.599 10.902
106 HA ALA 16 HA ALA 16 1.911 13.877 10.718
107 HB1 ALA 16 HB1 ALA 16 1.897 14.950 13.169
108 HB2 ALA 16 HB2 ALA 16 2.308 15.867 11.719
109 HB3 ALA 16 HB3 ALA 16 0.684 15.975 12.401
110 H VAL 17 H VAL 17 2.521 12.138 11.918
111 HA VAL 17 HA VAL 17 0.471 10.918 13.651
112 HB VAL 17 HB VAL 17 1.281 8.703 12.954
113 HG11 VAL 17 HG11 VAL 17 0.010 8.591 11.032
114 HG12 VAL 17 HG12 VAL 17 -0.562 10.098 11.749
115 HG13 VAL 17 HG13 VAL 17 0.602 10.137 10.424
116 HG21 VAL 17 HG21 VAL 17 3.270 10.341 11.553
117 HG22 VAL 17 HG22 VAL 17 3.377 8.683 12.144
118 HG23 VAL 17 HG23 VAL 17 2.598 9.020 10.598
119 H SER 18 H SER 18 1.116 10.803 15.687
120 HA SER 18 HA SER 18 3.914 11.081 16.370
121 HB2 SER 18 HB2 SER 18 2.533 10.603 18.732
122 HB3 SER 18 HB3 SER 18 2.923 12.186 18.060
123 HG SER 18 HG SER 18 0.596 11.548 18.569
124 H TYR 19 H TYR 19 4.556 9.644 18.396
125 HA TYR 19 HA TYR 19 5.175 7.131 17.520
126 HB2 TYR 19 HB2 TYR 19 5.574 6.535 19.888
127 HB3 TYR 19 HB3 TYR 19 6.233 8.114 19.475
128 HD1 TYR 19 HD2 TYR 19 5.024 10.177 20.217
129 HD2 TYR 19 HD1 TYR 19 3.920 6.297 21.571
130 HE1 TYR 19 HE2 TYR 19 3.785 11.188 22.086
131 HE2 TYR 19 HE1 TYR 19 2.678 7.298 23.444
132 HH TYR 19 HH TYR 19 2.269 10.785 23.722
133 H GLU 20 H GLU 20 2.363 8.061 19.475
134 HA GLU 20 HA GLU 20 1.294 5.513 19.866
135 HB2 GLU 20 HB2 GLU 20 0.403 8.260 20.163
136 HB3 GLU 20 HB3 GLU 20 -0.904 7.217 19.621
137 HG2 GLU 20 HG2 GLU 20 -0.068 5.664 21.547
138 HG3 GLU 20 HG3 GLU 20 0.639 7.155 22.166
139 H GLU 21 H GLU 21 0.663 7.866 17.277
140 HA GLU 21 HA GLU 21 -1.268 6.434 15.883
141 HB2 GLU 21 HB2 GLU 21 0.843 8.345 14.879
142 HB3 GLU 21 HB3 GLU 21 -0.462 7.726 13.876
143 HG2 GLU 21 HG2 GLU 21 -1.872 8.660 15.970
144 HG3 GLU 21 HG3 GLU 21 -0.502 9.769 15.988
145 H VAL 22 H VAL 22 2.258 6.273 15.676
146 HA VAL 22 HA VAL 22 2.440 4.544 13.474
147 HB VAL 22 HB VAL 22 4.309 4.908 15.817
148 HG11 VAL 22 HG11 VAL 22 6.008 3.870 14.284
149 HG12 VAL 22 HG12 VAL 22 4.793 2.760 14.918
150 HG13 VAL 22 HG13 VAL 22 4.667 3.354 13.262
151 HG21 VAL 22 HG21 VAL 22 3.686 6.613 13.735
152 HG22 VAL 22 HG22 VAL 22 5.132 6.684 14.742
153 HG23 VAL 22 HG23 VAL 22 5.172 5.828 13.200
154 H LYS 23 H LYS 23 2.610 3.779 16.954
155 HA LYS 23 HA LYS 23 2.768 1.018 16.740
156 HB2 LYS 23 HB2 LYS 23 2.230 2.943 18.815
157 HB3 LYS 23 HB3 LYS 23 1.181 1.545 19.007
158 HG2 LYS 23 HG2 LYS 23 4.169 1.373 18.700
159 HG3 LYS 23 HG3 LYS 23 3.329 1.407 20.252
160 HD2 LYS 23 HD2 LYS 23 2.896 -0.650 18.086
161 HD3 LYS 23 HD3 LYS 23 3.895 -0.883 19.523
162 HE2 LYS 23 HE2 LYS 23 0.923 -0.385 19.432
163 HE3 LYS 23 HE3 LYS 23 1.734 -1.882 19.889
164 HZ1 LYS 23 HZ1 LYS 23 2.746 -0.644 21.759
165 HZ2 LYS 23 HZ2 LYS 23 1.061 -0.750 21.859
166 HZ3 LYS 23 HZ3 LYS 23 1.790 0.693 21.361
167 H ALA 24 H ALA 24 -0.054 3.122 16.658
168 HA ALA 24 HA ALA 24 -2.006 1.075 16.786
169 HB1 ALA 24 HB1 ALA 24 -3.353 2.997 15.530
170 HB2 ALA 24 HB2 ALA 24 -2.979 3.074 17.252
171 HB3 ALA 24 HB3 ALA 24 -1.984 3.955 16.093
172 H PHE 25 H PHE 25 -0.378 2.692 14.095
173 HA PHE 25 HA PHE 25 -1.847 1.739 11.964
174 HB2 PHE 25 HB2 PHE 25 0.120 3.358 11.927
175 HB3 PHE 25 HB3 PHE 25 1.163 1.939 11.927
176 HD1 PHE 25 HD1 PHE 25 0.491 0.136 10.081
177 HD2 PHE 25 HD2 PHE 25 -0.388 4.296 9.903
178 HE1 PHE 25 HE1 PHE 25 0.288 -0.016 7.634
179 HE2 PHE 25 HE2 PHE 25 -0.593 4.151 7.456
180 HZ PHE 25 HZ PHE 25 -0.257 1.994 6.318
181 H VAL 26 H VAL 26 0.986 0.199 13.476
182 HA VAL 26 HA VAL 26 0.839 -2.153 11.887
183 HB VAL 26 HB VAL 26 2.781 -1.142 13.427
184 HG11 VAL 26 HG11 VAL 26 3.095 -2.345 15.452
185 HG12 VAL 26 HG12 VAL 26 1.453 -1.701 15.488
186 HG13 VAL 26 HG13 VAL 26 1.725 -3.403 15.111
187 HG21 VAL 26 HG21 VAL 26 3.369 -2.742 11.854
188 HG22 VAL 26 HG22 VAL 26 3.755 -3.541 13.379
189 HG23 VAL 26 HG23 VAL 26 2.270 -3.949 12.521
190 H SER 27 H SER 27 -0.612 -1.156 14.895
191 HA SER 27 HA SER 27 -1.339 -3.688 15.890
192 HB2 SER 27 HB2 SER 27 -2.109 -0.881 16.411
193 HB3 SER 27 HB3 SER 27 -3.313 -2.092 16.853
194 HG SER 27 HG SER 27 -0.672 -2.566 17.605
195 H LYS 28 H LYS 28 -2.602 -1.765 13.327
196 HA LYS 28 HA LYS 28 -5.215 -2.913 13.252
197 HB2 LYS 28 HB2 LYS 28 -3.589 -1.303 11.296
198 HB3 LYS 28 HB3 LYS 28 -5.164 -1.956 10.864
199 HG2 LYS 28 HG2 LYS 28 -4.653 -0.119 13.194
200 HG3 LYS 28 HG3 LYS 28 -5.242 0.395 11.611
201 HD2 LYS 28 HD2 LYS 28 -6.622 -1.554 13.457
202 HD3 LYS 28 HD3 LYS 28 -7.073 0.136 13.222
203 HE2 LYS 28 HE2 LYS 28 -8.419 -0.563 11.593
204 HE3 LYS 28 HE3 LYS 28 -6.967 -0.909 10.655
205 HZ1 LYS 28 HZ1 LYS 28 -8.829 -2.727 11.296
206 HZ2 LYS 28 HZ2 LYS 28 -7.709 -2.970 12.539
207 HZ3 LYS 28 HZ3 LYS 28 -7.222 -3.103 10.925
208 H LYS 29 H LYS 29 -2.215 -4.178 12.582
209 HA LYS 29 HA LYS 29 -3.271 -6.050 10.573
210 HB2 LYS 29 HB2 LYS 29 -0.370 -5.935 11.267
211 HB3 LYS 29 HB3 LYS 29 -1.138 -6.328 9.734
212 HG2 LYS 29 HG2 LYS 29 -1.691 -3.980 9.396
213 HG3 LYS 29 HG3 LYS 29 -0.948 -3.577 10.946
214 HD2 LYS 29 HD2 LYS 29 1.194 -4.533 10.066
215 HD3 LYS 29 HD3 LYS 29 0.412 -4.676 8.490
216 HE2 LYS 29 HE2 LYS 29 0.591 -2.479 8.074
217 HE3 LYS 29 HE3 LYS 29 0.138 -2.035 9.719
218 HZ1 LYS 29 HZ1 LYS 29 2.692 -3.221 9.739
219 HZ2 LYS 29 HZ2 LYS 29 2.253 -1.650 10.187
220 HZ3 LYS 29 HZ3 LYS 29 2.674 -1.986 8.582
221 H ARG 30 H ARG 30 -1.606 -5.838 13.673
222 HA ARG 30 HA ARG 30 -2.673 -8.379 14.481
223 HB2 ARG 30 HB2 ARG 30 -0.440 -9.375 15.003
224 HB3 ARG 30 HB3 ARG 30 -0.780 -9.236 13.283
225 HG2 ARG 30 HG2 ARG 30 0.503 -6.866 13.891
226 HG3 ARG 30 HG3 ARG 30 1.356 -8.075 14.853
227 HD2 ARG 30 HD2 ARG 30 0.916 -8.059 11.875
228 HD3 ARG 30 HD3 ARG 30 2.448 -7.939 12.739
229 HE ARG 30 HE ARG 30 0.971 -10.337 12.145
230 HH11 ARG 30 HH11 ARG 30 3.354 -8.863 14.209
231 HH12 ARG 30 HH12 ARG 30 4.097 -10.367 14.646
232 HH21 ARG 30 HH21 ARG 30 1.938 -12.323 12.712
233 HH22 ARG 30 HH22 ARG 30 3.291 -12.335 13.792
234 H ALA 31 H ALA 31 -1.269 -8.960 16.678
235 HA ALA 31 HA ALA 31 -1.374 -6.475 18.261
236 HB1 ALA 31 HB1 ALA 31 -3.169 -8.071 18.791
237 HB2 ALA 31 HB2 ALA 31 -1.954 -9.282 19.201
238 HB3 ALA 31 HB3 ALA 31 -2.085 -7.806 20.156
239 H ILE 32 H ILE 32 0.773 -5.915 18.217
240 HA ILE 32 HA ILE 32 2.583 -7.744 19.638
241 HB ILE 32 HB ILE 32 3.268 -7.963 17.368
242 HG12 ILE 32 HG12 ILE 32 5.539 -7.058 17.427
243 HG13 ILE 32 HG13 ILE 32 5.070 -5.914 18.681
244 HG21 ILE 32 HG21 ILE 32 2.656 -6.388 15.923
245 HG22 ILE 32 HG22 ILE 32 2.461 -5.195 17.205
246 HG23 ILE 32 HG23 ILE 32 4.044 -5.451 16.472
247 HD11 ILE 32 HD11 ILE 32 4.430 -8.584 19.500
248 HD12 ILE 32 HD12 ILE 32 6.122 -8.479 19.011
249 HD13 ILE 32 HD13 ILE 32 5.496 -7.400 20.258
250 H LYS 33 H LYS 33 2.738 -6.695 21.540
251 HA LYS 33 HA LYS 33 2.915 -3.820 21.684
252 HB2 LYS 33 HB2 LYS 33 3.199 -4.248 24.140
253 HB3 LYS 33 HB3 LYS 33 1.725 -4.913 23.448
254 HG2 LYS 33 HG2 LYS 33 3.666 -6.931 23.244
255 HG3 LYS 33 HG3 LYS 33 3.825 -6.243 24.862
256 HD2 LYS 33 HD2 LYS 33 1.078 -6.789 23.894
257 HD3 LYS 33 HD3 LYS 33 2.085 -8.186 24.279
258 HE2 LYS 33 HE2 LYS 33 2.584 -6.963 26.482
259 HE3 LYS 33 HE3 LYS 33 1.198 -5.952 26.076
260 HZ1 LYS 33 HZ1 LYS 33 0.535 -7.777 27.489
261 HZ2 LYS 33 HZ2 LYS 33 1.165 -8.904 26.397
262 HZ3 LYS 33 HZ3 LYS 33 -0.166 -7.957 25.960
263 H ASN 34 H ASN 34 4.764 -2.939 20.977
264 HA ASN 34 HA ASN 34 7.284 -4.008 22.068
265 HB2 ASN 34 HB2 ASN 34 6.760 -2.848 19.326
266 HB3 ASN 34 HB3 ASN 34 8.374 -3.134 19.971
267 HD21 ASN 34 HD21 ASN 34 7.402 -4.300 17.631
268 HD22 ASN 34 HD22 ASN 34 7.285 -6.006 17.875
269 H GLU 35 H GLU 35 7.686 -2.622 23.702
270 HA GLU 35 HA GLU 35 7.118 0.177 23.546
271 HB2 GLU 35 HB2 GLU 35 8.449 -1.614 25.541
272 HB3 GLU 35 HB3 GLU 35 8.639 0.128 25.686
273 HG2 GLU 35 HG2 GLU 35 6.052 -1.408 25.706
274 HG3 GLU 35 HG3 GLU 35 6.825 -0.612 27.078
275 H GLN 36 H GLN 36 10.044 -1.801 23.332
276 HA GLN 36 HA GLN 36 11.821 0.414 23.082
277 HB2 GLN 36 HB2 GLN 36 12.226 -2.148 23.692
278 HB3 GLN 36 HB3 GLN 36 12.554 -2.248 21.967
279 HG2 GLN 36 HG2 GLN 36 13.931 0.008 23.003
280 HG3 GLN 36 HG3 GLN 36 14.263 -1.376 24.043
281 HE21 GLN 36 HE21 GLN 36 15.691 -2.848 23.387
282 HE22 GLN 36 HE22 GLN 36 16.417 -2.903 21.820
283 H LEU 37 H LEU 37 10.449 -1.889 20.745
284 HA LEU 37 HA LEU 37 11.668 -0.807 18.460
285 HB2 LEU 37 HB2 LEU 37 10.364 -3.021 18.805
286 HB3 LEU 37 HB3 LEU 37 8.948 -2.056 18.394
287 HG LEU 37 HG LEU 37 10.312 -1.440 16.265
288 HD11 LEU 37 HD11 LEU 37 12.371 -2.324 16.309
289 HD12 LEU 37 HD12 LEU 37 11.559 -3.802 15.794
290 HD13 LEU 37 HD13 LEU 37 11.933 -3.550 17.499
291 HD21 LEU 37 HD21 LEU 37 9.180 -4.214 16.602
292 HD22 LEU 37 HD22 LEU 37 9.337 -3.312 15.094
293 HD23 LEU 37 HD23 LEU 37 8.222 -2.756 16.343
294 H LEU 38 H LEU 38 8.660 -0.015 20.111
295 HA LEU 38 HA LEU 38 7.578 1.692 18.159
296 HB2 LEU 38 HB2 LEU 38 6.218 0.873 19.955
297 HB3 LEU 38 HB3 LEU 38 7.257 1.643 21.153
298 HG LEU 38 HG LEU 38 4.960 2.699 20.574
299 HD11 LEU 38 HD11 LEU 38 5.760 4.437 21.704
300 HD12 LEU 38 HD12 LEU 38 6.853 4.879 20.392
301 HD13 LEU 38 HD13 LEU 38 7.348 3.679 21.586
302 HD21 LEU 38 HD21 LEU 38 5.830 2.640 18.047
303 HD22 LEU 38 HD22 LEU 38 6.419 4.237 18.510
304 HD23 LEU 38 HD23 LEU 38 4.702 3.858 18.644
305 H GLN 39 H GLN 39 9.597 2.398 20.999
306 HA GLN 39 HA GLN 39 9.720 5.183 20.610
307 HB2 GLN 39 HB2 GLN 39 10.568 3.470 22.556
308 HB3 GLN 39 HB3 GLN 39 12.095 3.926 21.814
309 HG2 GLN 39 HG2 GLN 39 10.114 6.020 22.597
310 HG3 GLN 39 HG3 GLN 39 11.181 5.298 23.801
311 HE21 GLN 39 HE21 GLN 39 12.317 7.167 24.185
312 HE22 GLN 39 HE22 GLN 39 13.401 7.862 23.033
313 H LEU 40 H LEU 40 12.030 2.620 19.728
314 HA LEU 40 HA LEU 40 13.894 4.283 18.456
315 HB2 LEU 40 HB2 LEU 40 13.792 1.656 19.085
316 HB3 LEU 40 HB3 LEU 40 13.539 1.579 17.343
317 HG LEU 40 HG LEU 40 15.922 2.735 18.785
318 HD11 LEU 40 HD11 LEU 40 15.307 0.127 17.935
319 HD12 LEU 40 HD12 LEU 40 16.854 0.743 18.517
320 HD13 LEU 40 HD13 LEU 40 16.490 0.762 16.792
321 HD21 LEU 40 HD21 LEU 40 14.988 2.980 15.970
322 HD22 LEU 40 HD22 LEU 40 16.716 2.795 16.272
323 HD23 LEU 40 HD23 LEU 40 15.835 4.146 16.988
324 H ILE 41 H ILE 41 11.272 2.318 17.057
325 HA ILE 41 HA ILE 41 11.651 3.134 14.397
326 HB ILE 41 HB ILE 41 9.193 2.110 15.812
327 HG12 ILE 41 HG12 ILE 41 11.123 0.562 15.576
328 HG13 ILE 41 HG13 ILE 41 9.705 0.025 14.683
329 HG21 ILE 41 HG21 ILE 41 8.323 1.686 13.494
330 HG22 ILE 41 HG22 ILE 41 8.369 3.379 13.981
331 HG23 ILE 41 HG23 ILE 41 9.606 2.739 12.898
332 HD11 ILE 41 HD11 ILE 41 12.285 0.282 13.718
333 HD12 ILE 41 HD12 ILE 41 10.818 0.034 12.770
334 HD13 ILE 41 HD13 ILE 41 11.423 1.667 13.047
335 H PHE 42 H PHE 42 9.884 4.573 17.056
336 HA PHE 42 HA PHE 42 8.302 6.388 15.634
337 HB2 PHE 42 HB2 PHE 42 7.817 6.113 17.932
338 HB3 PHE 42 HB3 PHE 42 9.477 6.454 18.407
339 HD1 PHE 42 HD1 PHE 42 6.821 8.177 16.423
340 HD2 PHE 42 HD2 PHE 42 9.756 8.444 19.495
341 HE1 PHE 42 HE1 PHE 42 6.227 10.537 16.781
342 HE2 PHE 42 HE2 PHE 42 9.167 10.804 19.857
343 HZ PHE 42 HZ PHE 42 7.399 11.854 18.501
344 H LYS 43 H LYS 43 11.510 6.876 17.105
345 HA LYS 43 HA LYS 43 11.826 9.493 16.015
346 HB2 LYS 43 HB2 LYS 43 13.110 7.977 17.955
347 HB3 LYS 43 HB3 LYS 43 14.313 8.125 16.681
348 HG2 LYS 43 HG2 LYS 43 14.348 10.462 16.828
349 HG3 LYS 43 HG3 LYS 43 12.839 10.511 17.742
350 HD2 LYS 43 HD2 LYS 43 14.315 10.820 19.453
351 HD3 LYS 43 HD3 LYS 43 14.261 9.056 19.444
352 HE2 LYS 43 HE2 LYS 43 16.223 9.344 17.711
353 HE3 LYS 43 HE3 LYS 43 16.405 10.903 18.513
354 HZ1 LYS 43 HZ1 LYS 43 17.583 9.824 20.034
355 HZ2 LYS 43 HZ2 LYS 43 17.141 8.307 19.429
356 HZ3 LYS 43 HZ3 LYS 43 16.147 9.093 20.551
357 H SER 44 H SER 44 12.659 6.264 14.968
358 HA SER 44 HA SER 44 14.500 6.986 12.943
359 HB2 SER 44 HB2 SER 44 12.938 4.545 13.638
360 HB3 SER 44 HB3 SER 44 13.599 4.654 12.006
361 HG SER 44 HG SER 44 15.212 3.763 13.151
362 H ILE 45 H ILE 45 11.036 6.169 12.802
363 HA ILE 45 HA ILE 45 10.758 6.676 10.033
364 HB ILE 45 HB ILE 45 8.692 6.642 12.234
365 HG12 ILE 45 HG12 ILE 45 9.498 4.600 10.151
366 HG13 ILE 45 HG13 ILE 45 9.792 4.495 11.884
367 HG21 ILE 45 HG21 ILE 45 7.863 7.984 10.406
368 HG22 ILE 45 HG22 ILE 45 8.315 6.737 9.245
369 HG23 ILE 45 HG23 ILE 45 7.034 6.427 10.417
370 HD11 ILE 45 HD11 ILE 45 7.122 4.421 10.500
371 HD12 ILE 45 HD12 ILE 45 7.949 3.081 11.296
372 HD13 ILE 45 HD13 ILE 45 7.352 4.438 12.249
373 H ASP 46 H ASP 46 10.745 8.725 12.829
374 HA ASP 46 HA ASP 46 9.571 10.966 11.399
375 HB2 ASP 46 HB2 ASP 46 9.353 10.327 13.959
376 HB3 ASP 46 HB3 ASP 46 10.838 11.267 14.087
377 H ALA 47 H ALA 47 10.722 12.329 10.215
378 HA ALA 47 HA ALA 47 13.516 12.157 9.927
379 HB1 ALA 47 HB1 ALA 47 11.915 13.015 8.212
380 HB2 ALA 47 HB2 ALA 47 11.791 14.502 9.154
381 HB3 ALA 47 HB3 ALA 47 13.339 14.027 8.454
382 H ASP 48 H ASP 48 11.470 14.442 11.700
383 HA ASP 48 HA ASP 48 13.894 15.588 12.914
384 HB2 ASP 48 HB2 ASP 48 12.446 17.510 13.532
385 HB3 ASP 48 HB3 ASP 48 12.540 17.256 11.792
386 H GLY 49 H GLY 49 11.190 13.619 13.511
387 HA2 GLY 49 HA2 GLY 49 10.393 12.604 15.409
388 HA3 GLY 49 HA3 GLY 49 11.965 12.951 16.115
389 H ASN 50 H ASN 50 9.733 15.405 14.963
390 HA ASN 50 HA ASN 50 9.738 16.627 17.589
391 HB2 ASN 50 HB2 ASN 50 8.528 18.475 16.468
392 HB3 ASN 50 HB3 ASN 50 10.029 18.064 15.645
393 HD21 ASN 50 HD21 ASN 50 8.075 19.482 14.372
394 HD22 ASN 50 HD22 ASN 50 7.363 18.511 13.132
395 H GLY 51 H GLY 51 8.530 14.939 18.671
396 HA2 GLY 51 HA2 GLY 51 6.588 14.245 19.690
397 HA3 GLY 51 HA3 GLY 51 5.764 15.564 18.872
398 H GLU 52 H GLU 52 6.148 14.900 16.225
399 HA GLU 52 HA GLU 52 5.284 12.163 15.826
400 HB2 GLU 52 HB2 GLU 52 3.253 13.009 14.508
401 HB3 GLU 52 HB3 GLU 52 3.140 13.000 16.263
402 HG2 GLU 52 HG2 GLU 52 2.246 15.044 15.108
403 HG3 GLU 52 HG3 GLU 52 3.413 15.333 16.396
404 H ILE 53 H ILE 53 4.936 11.705 13.466
405 HA ILE 53 HA ILE 53 6.983 13.121 11.935
406 HB ILE 53 HB ILE 53 5.551 10.656 10.995
407 HG12 ILE 53 HG12 ILE 53 7.956 9.810 12.121
408 HG13 ILE 53 HG13 ILE 53 7.282 10.911 13.319
409 HG21 ILE 53 HG21 ILE 53 8.169 11.995 10.420
410 HG22 ILE 53 HG22 ILE 53 7.911 10.294 10.036
411 HG23 ILE 53 HG23 ILE 53 6.888 11.527 9.301
412 HD11 ILE 53 HD11 ILE 53 5.328 9.040 12.247
413 HD12 ILE 53 HD12 ILE 53 6.680 8.261 13.068
414 HD13 ILE 53 HD13 ILE 53 5.707 9.461 13.917
415 H ASP 54 H ASP 54 6.512 14.480 10.336
416 HA ASP 54 HA ASP 54 3.761 15.013 9.669
417 HB2 ASP 54 HB2 ASP 54 6.142 16.235 8.292
418 HB3 ASP 54 HB3 ASP 54 4.547 16.934 8.556
419 H GLN 55 H GLN 55 2.993 15.141 7.437
420 HA GLN 55 HA GLN 55 3.218 12.738 6.071
421 HB2 GLN 55 HB2 GLN 55 2.117 13.917 4.179
422 HB3 GLN 55 HB3 GLN 55 1.320 14.178 5.724
423 HG2 GLN 55 HG2 GLN 55 1.326 16.317 5.042
424 HG3 GLN 55 HG3 GLN 55 2.958 16.296 5.708
425 HE21 GLN 55 HE21 GLN 55 3.600 17.953 4.321
426 HE22 GLN 55 HE22 GLN 55 3.891 17.676 2.639
427 H ASN 56 H ASN 56 4.851 15.824 5.447
428 HA ASN 56 HA ASN 56 6.193 15.062 3.108
429 HB2 ASN 56 HB2 ASN 56 6.011 17.365 4.596
430 HB3 ASN 56 HB3 ASN 56 7.689 16.893 4.848
431 HD21 ASN 56 HD21 ASN 56 8.716 16.081 2.687
432 HD22 ASN 56 HD22 ASN 56 8.497 17.151 1.348
433 H GLU 57 H GLU 57 7.213 14.920 6.507
434 HA GLU 57 HA GLU 57 9.798 13.936 6.068
435 HB2 GLU 57 HB2 GLU 57 8.021 13.354 8.442
436 HB3 GLU 57 HB3 GLU 57 9.777 13.268 8.398
437 HG2 GLU 57 HG2 GLU 57 9.982 15.615 8.210
438 HG3 GLU 57 HG3 GLU 57 8.259 15.808 7.889
439 H PHE 58 H PHE 58 6.715 12.260 6.490
440 HA PHE 58 HA PHE 58 7.751 9.641 6.569
441 HB2 PHE 58 HB2 PHE 58 5.364 10.530 7.122
442 HB3 PHE 58 HB3 PHE 58 5.054 10.266 5.410
443 HD1 PHE 58 HD1 PHE 58 5.273 7.973 4.463
444 HD2 PHE 58 HD2 PHE 58 5.431 8.735 8.648
445 HE1 PHE 58 HE1 PHE 58 4.819 5.597 4.909
446 HE2 PHE 58 HE2 PHE 58 4.978 6.359 9.101
447 HZ PHE 58 HZ PHE 58 4.672 4.787 7.231
448 H ALA 59 H ALA 59 6.527 11.613 3.887
449 HA ALA 59 HA ALA 59 6.744 9.691 1.866
450 HB1 ALA 59 HB1 ALA 59 6.412 12.592 2.014
451 HB2 ALA 59 HB2 ALA 59 7.236 12.038 0.555
452 HB3 ALA 59 HB3 ALA 59 5.637 11.410 0.956
453 H LYS 60 H LYS 60 9.057 12.225 2.831
454 HA LYS 60 HA LYS 60 11.078 11.454 1.016
455 HB2 LYS 60 HB2 LYS 60 10.932 13.192 3.430
456 HB3 LYS 60 HB3 LYS 60 12.524 12.686 2.884
457 HG2 LYS 60 HG2 LYS 60 12.271 13.762 0.809
458 HG3 LYS 60 HG3 LYS 60 10.532 13.966 1.038
459 HD2 LYS 60 HD2 LYS 60 10.797 15.846 2.235
460 HD3 LYS 60 HD3 LYS 60 12.157 15.184 3.145
461 HE2 LYS 60 HE2 LYS 60 13.650 15.646 1.281
462 HE3 LYS 60 HE3 LYS 60 12.297 16.250 0.326
463 HZ1 LYS 60 HZ1 LYS 60 12.932 17.459 2.938
464 HZ2 LYS 60 HZ2 LYS 60 12.116 18.137 1.621
465 HZ3 LYS 60 HZ3 LYS 60 13.793 17.918 1.555
466 H PHE 61 H PHE 61 10.117 10.246 4.109
467 HA PHE 61 HA PHE 61 12.592 8.871 4.640
468 HB2 PHE 61 HB2 PHE 61 11.459 9.441 6.602
469 HB3 PHE 61 HB3 PHE 61 9.895 8.958 5.953
470 HD1 PHE 61 HD1 PHE 61 13.191 7.258 6.396
471 HD2 PHE 61 HD2 PHE 61 8.994 7.198 7.102
472 HE1 PHE 61 HE1 PHE 61 13.412 5.073 7.505
473 HE2 PHE 61 HE2 PHE 61 9.209 5.013 8.212
474 HZ PHE 61 HZ PHE 61 11.419 3.947 8.416
475 H TYR 62 H TYR 62 9.493 8.123 3.196
476 HA TYR 62 HA TYR 62 9.653 5.326 3.209
477 HB2 TYR 62 HB2 TYR 62 7.570 6.383 2.669
478 HB3 TYR 62 HB3 TYR 62 8.287 7.231 1.302
479 HD1 TYR 62 HD2 TYR 62 7.264 3.900 2.546
480 HD2 TYR 62 HD1 TYR 62 8.430 6.210 -0.831
481 HE1 TYR 62 HE2 TYR 62 6.599 2.055 1.062
482 HE2 TYR 62 HE1 TYR 62 7.768 4.371 -2.325
483 HH TYR 62 HH TYR 62 6.841 2.357 -2.468
484 H GLY 63 H GLY 63 11.112 4.046 2.302
485 HA2 GLY 63 HA2 GLY 63 12.399 3.115 0.608
486 HA3 GLY 63 HA3 GLY 63 11.955 4.463 -0.428
487 H SER 64 H SER 64 13.010 5.716 2.446
488 HA SER 64 HA SER 64 15.599 6.376 1.271
489 HB2 SER 64 HB2 SER 64 14.208 8.226 2.096
490 HB3 SER 64 HB3 SER 64 14.205 7.512 3.707
491 HG SER 64 HG SER 64 15.876 8.810 3.902
492 H ILE 65 H ILE 65 15.010 3.736 2.471
493 HA ILE 65 HA ILE 65 16.662 3.717 4.874
494 HB ILE 65 HB ILE 65 15.497 1.276 3.567
495 HG12 ILE 65 HG12 ILE 65 14.097 3.179 5.459
496 HG13 ILE 65 HG13 ILE 65 13.664 2.879 3.779
497 HG21 ILE 65 HG21 ILE 65 17.055 1.726 5.845
498 HG22 ILE 65 HG22 ILE 65 15.431 1.386 6.439
499 HG23 ILE 65 HG23 ILE 65 16.242 0.232 5.381
500 HD11 ILE 65 HD11 ILE 65 13.252 0.490 4.426
501 HD12 ILE 65 HD12 ILE 65 13.434 0.997 6.105
502 HD13 ILE 65 HD13 ILE 65 12.140 1.672 5.114
503 H GLN 66 H GLN 66 17.563 4.131 1.949
504 HA GLN 66 HA GLN 66 19.100 1.977 1.094
505 HB2 GLN 66 HB2 GLN 66 19.105 4.898 0.623
506 HB3 GLN 66 HB3 GLN 66 20.602 4.056 0.247
507 HG2 GLN 66 HG2 GLN 66 18.685 2.454 -0.897
508 HG3 GLN 66 HG3 GLN 66 18.065 4.082 -1.167
509 HE21 GLN 66 HE21 GLN 66 20.218 5.575 -1.604
510 HE22 GLN 66 HE22 GLN 66 21.099 5.022 -2.983
Start of MODEL 3
1 H1 MET 1 H MET 1 -0.707 3.939 -4.489
2 HA MET 1 HA MET 1 -1.938 4.948 -2.362
3 HB2 MET 1 HB2 MET 1 -2.353 1.968 -2.119
4 HB3 MET 1 HB3 MET 1 -2.898 3.219 -1.010
5 HG2 MET 1 HG2 MET 1 -4.172 4.061 -3.169
6 HG3 MET 1 HG3 MET 1 -4.024 2.362 -3.612
7 HE1 MET 1 HE1 MET 1 -6.280 3.990 0.062
8 HE2 MET 1 HE2 MET 1 -4.563 4.272 -0.224
9 HE3 MET 1 HE3 MET 1 -5.765 4.983 -1.303
10 H ALA 2 H ALA 2 0.198 5.565 -2.038
11 HA ALA 2 HA ALA 2 1.943 3.480 -0.897
12 HB1 ALA 2 HB1 ALA 2 3.842 4.482 -1.826
13 HB2 ALA 2 HB2 ALA 2 2.646 4.530 -3.123
14 HB3 ALA 2 HB3 ALA 2 2.988 5.982 -2.183
15 H GLU 3 H GLU 3 1.873 7.048 -0.955
16 HA GLU 3 HA GLU 3 2.611 7.091 1.858
17 HB2 GLU 3 HB2 GLU 3 2.988 9.452 1.557
18 HB3 GLU 3 HB3 GLU 3 3.730 8.587 0.218
19 HG2 GLU 3 HG2 GLU 3 1.168 9.168 -0.671
20 HG3 GLU 3 HG3 GLU 3 1.677 10.615 0.198
21 H ALA 4 H ALA 4 -0.178 7.464 -0.115
22 HA ALA 4 HA ALA 4 -1.793 9.161 1.350
23 HB1 ALA 4 HB1 ALA 4 -3.539 8.380 0.104
24 HB2 ALA 4 HB2 ALA 4 -2.193 7.795 -0.873
25 HB3 ALA 4 HB3 ALA 4 -3.024 6.698 0.229
26 H LEU 5 H LEU 5 -0.750 5.939 2.104
27 HA LEU 5 HA LEU 5 -2.732 5.211 3.954
28 HB2 LEU 5 HB2 LEU 5 0.130 4.421 4.302
29 HB3 LEU 5 HB3 LEU 5 -1.330 3.476 4.592
30 HG LEU 5 HG LEU 5 -0.070 4.137 1.935
31 HD11 LEU 5 HD11 LEU 5 0.688 2.205 3.555
32 HD12 LEU 5 HD12 LEU 5 0.565 1.946 1.815
33 HD13 LEU 5 HD13 LEU 5 -0.727 1.396 2.882
34 HD21 LEU 5 HD21 LEU 5 -2.221 4.183 1.235
35 HD22 LEU 5 HD22 LEU 5 -2.813 3.286 2.635
36 HD23 LEU 5 HD23 LEU 5 -2.035 2.429 1.303
37 H PHE 6 H PHE 6 0.224 7.097 4.300
38 HA PHE 6 HA PHE 6 0.288 7.243 7.100
39 HB2 PHE 6 HB2 PHE 6 2.243 7.960 6.039
40 HB3 PHE 6 HB3 PHE 6 1.367 8.984 4.906
41 HD1 PHE 6 HD1 PHE 6 0.380 11.128 5.704
42 HD2 PHE 6 HD2 PHE 6 2.999 8.788 8.110
43 HE1 PHE 6 HE1 PHE 6 0.791 13.077 7.147
44 HE2 PHE 6 HE2 PHE 6 3.413 10.734 9.557
45 HZ PHE 6 HZ PHE 6 2.308 12.882 9.079
46 H LYS 7 H LYS 7 -1.158 9.447 4.714
47 HA LYS 7 HA LYS 7 -2.279 11.165 6.713
48 HB2 LYS 7 HB2 LYS 7 -2.286 12.498 4.918
49 HB3 LYS 7 HB3 LYS 7 -2.029 11.134 3.839
50 HG2 LYS 7 HG2 LYS 7 -4.440 10.700 3.823
51 HG3 LYS 7 HG3 LYS 7 -4.687 12.090 4.883
52 HD2 LYS 7 HD2 LYS 7 -3.215 12.443 2.308
53 HD3 LYS 7 HD3 LYS 7 -4.976 12.335 2.296
54 HE2 LYS 7 HE2 LYS 7 -3.556 14.212 4.151
55 HE3 LYS 7 HE3 LYS 7 -3.866 14.661 2.475
56 HZ1 LYS 7 HZ1 LYS 7 -5.875 15.284 3.124
57 HZ2 LYS 7 HZ2 LYS 7 -5.648 14.657 4.679
58 HZ3 LYS 7 HZ3 LYS 7 -6.248 13.665 3.446
59 H GLU 8 H GLU 8 -3.310 8.309 5.034
60 HA GLU 8 HA GLU 8 -6.097 8.577 5.405
61 HB2 GLU 8 HB2 GLU 8 -4.991 6.970 3.838
62 HB3 GLU 8 HB3 GLU 8 -4.510 6.012 5.231
63 HG2 GLU 8 HG2 GLU 8 -6.398 4.892 4.808
64 HG3 GLU 8 HG3 GLU 8 -7.160 6.222 5.679
65 H ILE 9 H ILE 9 -3.555 7.091 7.365
66 HA ILE 9 HA ILE 9 -5.290 6.029 9.342
67 HB ILE 9 HB ILE 9 -2.356 6.729 9.492
68 HG12 ILE 9 HG12 ILE 9 -3.053 4.957 7.853
69 HG13 ILE 9 HG13 ILE 9 -1.960 4.390 9.111
70 HG21 ILE 9 HG21 ILE 9 -3.135 6.714 11.724
71 HG22 ILE 9 HG22 ILE 9 -4.145 5.297 11.438
72 HG23 ILE 9 HG23 ILE 9 -2.389 5.139 11.455
73 HD11 ILE 9 HD11 ILE 9 -4.925 4.087 9.374
74 HD12 ILE 9 HD12 ILE 9 -3.947 2.918 8.486
75 HD13 ILE 9 HD13 ILE 9 -3.641 3.205 10.199
76 H ASP 10 H ASP 10 -4.031 9.181 8.747
77 HA ASP 10 HA ASP 10 -4.422 10.144 11.438
78 HB2 ASP 10 HB2 ASP 10 -3.324 11.191 8.930
79 HB3 ASP 10 HB3 ASP 10 -4.232 12.384 9.854
80 H VAL 11 H VAL 11 -6.671 9.433 11.596
81 HA VAL 11 HA VAL 11 -8.727 10.477 9.977
82 HB VAL 11 HB VAL 11 -8.986 9.659 12.871
83 HG11 VAL 11 HG11 VAL 11 -10.887 10.158 10.640
84 HG12 VAL 11 HG12 VAL 11 -11.263 8.871 11.790
85 HG13 VAL 11 HG13 VAL 11 -11.037 10.526 12.359
86 HG21 VAL 11 HG21 VAL 11 -7.889 7.851 11.801
87 HG22 VAL 11 HG22 VAL 11 -9.596 7.414 11.889
88 HG23 VAL 11 HG23 VAL 11 -8.909 7.988 10.369
89 H ASN 12 H ASN 12 -6.780 11.948 12.336
90 HA ASN 12 HA ASN 12 -8.705 13.947 13.138
91 HB2 ASN 12 HB2 ASN 12 -6.584 14.992 14.181
92 HB3 ASN 12 HB3 ASN 12 -7.159 13.460 14.832
93 HD21 ASN 12 HD21 ASN 12 -5.057 13.081 15.634
94 HD22 ASN 12 HD22 ASN 12 -3.793 12.534 14.591
95 H GLY 13 H GLY 13 -7.062 13.447 10.355
96 HA2 GLY 13 HA2 GLY 13 -6.397 14.773 8.598
97 HA3 GLY 13 HA3 GLY 13 -7.669 15.850 9.154
98 H ASP 14 H ASP 14 -4.573 14.935 10.642
99 HA ASP 14 HA ASP 14 -3.923 17.799 10.807
100 HB2 ASP 14 HB2 ASP 14 -2.366 17.110 12.644
101 HB3 ASP 14 HB3 ASP 14 -4.066 16.798 12.989
102 H GLY 15 H GLY 15 -3.042 14.870 9.326
103 HA2 GLY 15 HA2 GLY 15 -1.421 14.434 7.747
104 HA3 GLY 15 HA3 GLY 15 -0.942 16.121 7.850
105 H ALA 16 H ALA 16 -0.994 14.626 10.875
106 HA ALA 16 HA ALA 16 1.844 13.886 10.707
107 HB1 ALA 16 HB1 ALA 16 1.846 14.968 13.146
108 HB2 ALA 16 HB2 ALA 16 2.236 15.890 11.693
109 HB3 ALA 16 HB3 ALA 16 0.620 15.989 12.393
110 H VAL 17 H VAL 17 2.418 12.124 11.877
111 HA VAL 17 HA VAL 17 0.370 10.946 13.641
112 HB VAL 17 HB VAL 17 1.127 8.713 12.927
113 HG11 VAL 17 HG11 VAL 17 -0.197 8.628 11.044
114 HG12 VAL 17 HG12 VAL 17 -0.714 10.154 11.764
115 HG13 VAL 17 HG13 VAL 17 0.419 10.154 10.411
116 HG21 VAL 17 HG21 VAL 17 3.112 10.319 11.484
117 HG22 VAL 17 HG22 VAL 17 3.204 8.658 12.068
118 HG23 VAL 17 HG23 VAL 17 2.396 9.012 10.541
119 H SER 18 H SER 18 1.049 10.827 15.667
120 HA SER 18 HA SER 18 3.855 11.056 16.310
121 HB2 SER 18 HB2 SER 18 2.524 10.557 18.688
122 HB3 SER 18 HB3 SER 18 2.880 12.150 18.020
123 HG SER 18 HG SER 18 0.654 11.883 18.509
124 H TYR 19 H TYR 19 4.536 9.585 18.290
125 HA TYR 19 HA TYR 19 5.103 7.075 17.360
126 HB2 TYR 19 HB2 TYR 19 5.585 6.451 19.705
127 HB3 TYR 19 HB3 TYR 19 6.241 8.031 19.286
128 HD1 TYR 19 HD1 TYR 19 5.074 10.094 20.096
129 HD2 TYR 19 HD2 TYR 19 3.996 6.205 21.447
130 HE1 TYR 19 HE1 TYR 19 3.911 11.091 22.020
131 HE2 TYR 19 HE2 TYR 19 2.830 7.192 23.374
132 HH TYR 19 HH TYR 19 1.768 10.029 23.627
133 H GLU 20 H GLU 20 2.377 8.013 19.429
134 HA GLU 20 HA GLU 20 1.293 5.478 19.843
135 HB2 GLU 20 HB2 GLU 20 0.553 8.150 20.384
136 HB3 GLU 20 HB3 GLU 20 -0.808 7.414 19.552
137 HG2 GLU 20 HG2 GLU 20 0.048 5.536 21.445
138 HG3 GLU 20 HG3 GLU 20 0.052 7.097 22.262
139 H GLU 21 H GLU 21 0.638 7.828 17.262
140 HA GLU 21 HA GLU 21 -1.361 6.416 15.931
141 HB2 GLU 21 HB2 GLU 21 0.742 8.292 14.842
142 HB3 GLU 21 HB3 GLU 21 -0.626 7.706 13.907
143 HG2 GLU 21 HG2 GLU 21 -1.921 8.670 16.050
144 HG3 GLU 21 HG3 GLU 21 -0.514 9.733 16.040
145 H VAL 22 H VAL 22 2.157 6.223 15.620
146 HA VAL 22 HA VAL 22 2.250 4.484 13.417
147 HB VAL 22 HB VAL 22 4.204 4.870 15.685
148 HG11 VAL 22 HG11 VAL 22 4.208 2.979 13.427
149 HG12 VAL 22 HG12 VAL 22 5.707 3.875 13.681
150 HG13 VAL 22 HG13 VAL 22 5.032 2.893 14.983
151 HG21 VAL 22 HG21 VAL 22 4.964 6.634 14.559
152 HG22 VAL 22 HG22 VAL 22 5.018 5.731 13.046
153 HG23 VAL 22 HG23 VAL 22 3.521 6.513 13.552
154 H LYS 23 H LYS 23 2.536 3.742 16.894
155 HA LYS 23 HA LYS 23 2.665 0.974 16.677
156 HB2 LYS 23 HB2 LYS 23 2.230 2.914 18.776
157 HB3 LYS 23 HB3 LYS 23 1.223 1.494 19.026
158 HG2 LYS 23 HG2 LYS 23 4.191 1.384 18.546
159 HG3 LYS 23 HG3 LYS 23 3.443 1.404 20.145
160 HD2 LYS 23 HD2 LYS 23 2.929 -0.666 18.010
161 HD3 LYS 23 HD3 LYS 23 4.010 -0.876 19.390
162 HE2 LYS 23 HE2 LYS 23 1.029 -0.437 19.464
163 HE3 LYS 23 HE3 LYS 23 1.892 -1.917 19.874
164 HZ1 LYS 23 HZ1 LYS 23 3.057 -0.185 21.523
165 HZ2 LYS 23 HZ2 LYS 23 1.701 -1.103 21.945
166 HZ3 LYS 23 HZ3 LYS 23 1.512 0.499 21.435
167 H ALA 24 H ALA 24 -0.114 3.123 16.667
168 HA ALA 24 HA ALA 24 -2.097 1.115 16.940
169 HB1 ALA 24 HB1 ALA 24 -3.511 2.838 16.983
170 HB2 ALA 24 HB2 ALA 24 -2.081 3.869 16.909
171 HB3 ALA 24 HB3 ALA 24 -2.943 3.450 15.429
172 H PHE 25 H PHE 25 -0.611 2.689 14.137
173 HA PHE 25 HA PHE 25 -2.189 1.688 12.109
174 HB2 PHE 25 HB2 PHE 25 -0.161 3.300 12.013
175 HB3 PHE 25 HB3 PHE 25 0.797 1.838 11.809
176 HD1 PHE 25 HD2 PHE 25 -2.075 0.881 10.340
177 HD2 PHE 25 HD1 PHE 25 1.056 3.700 9.732
178 HE1 PHE 25 HE2 PHE 25 -2.565 0.898 7.930
179 HE2 PHE 25 HE1 PHE 25 0.570 3.722 7.319
180 HZ PHE 25 HZ PHE 25 -1.241 2.319 6.415
181 H VAL 26 H VAL 26 0.752 0.201 13.462
182 HA VAL 26 HA VAL 26 0.530 -2.180 11.929
183 HB VAL 26 HB VAL 26 2.555 -1.134 13.312
184 HG11 VAL 26 HG11 VAL 26 1.625 -3.334 15.143
185 HG12 VAL 26 HG12 VAL 26 2.995 -2.243 15.362
186 HG13 VAL 26 HG13 VAL 26 1.347 -1.624 15.469
187 HG21 VAL 26 HG21 VAL 26 2.365 -4.120 13.105
188 HG22 VAL 26 HG22 VAL 26 2.441 -3.101 11.669
189 HG23 VAL 26 HG23 VAL 26 3.763 -3.079 12.835
190 H SER 27 H SER 27 -0.749 -1.147 15.003
191 HA SER 27 HA SER 27 -1.397 -3.674 16.070
192 HB2 SER 27 HB2 SER 27 -2.188 -0.863 16.598
193 HB3 SER 27 HB3 SER 27 -3.296 -2.109 17.172
194 HG SER 27 HG SER 27 -0.584 -2.475 17.689
195 H LYS 28 H LYS 28 -2.835 -1.770 13.583
196 HA LYS 28 HA LYS 28 -5.438 -2.946 13.685
197 HB2 LYS 28 HB2 LYS 28 -3.972 -1.332 11.604
198 HB3 LYS 28 HB3 LYS 28 -5.586 -1.972 11.322
199 HG2 LYS 28 HG2 LYS 28 -4.855 -0.144 13.600
200 HG3 LYS 28 HG3 LYS 28 -5.559 0.386 12.071
201 HD2 LYS 28 HD2 LYS 28 -6.824 -1.568 13.993
202 HD3 LYS 28 HD3 LYS 28 -7.250 0.139 13.844
203 HE2 LYS 28 HE2 LYS 28 -7.512 -0.601 11.284
204 HE3 LYS 28 HE3 LYS 28 -7.864 -2.144 12.061
205 HZ1 LYS 28 HZ1 LYS 28 -9.474 -0.813 13.485
206 HZ2 LYS 28 HZ2 LYS 28 -9.916 -1.090 11.876
207 HZ3 LYS 28 HZ3 LYS 28 -9.308 0.420 12.337
208 H LYS 29 H LYS 29 -2.476 -4.175 12.811
209 HA LYS 29 HA LYS 29 -3.648 -6.058 10.878
210 HB2 LYS 29 HB2 LYS 29 -0.703 -5.721 11.395
211 HB3 LYS 29 HB3 LYS 29 -1.494 -6.417 9.986
212 HG2 LYS 29 HG2 LYS 29 -1.411 -3.513 10.773
213 HG3 LYS 29 HG3 LYS 29 -0.607 -4.275 9.397
214 HD2 LYS 29 HD2 LYS 29 -3.591 -4.071 9.806
215 HD3 LYS 29 HD3 LYS 29 -2.630 -3.077 8.710
216 HE2 LYS 29 HE2 LYS 29 -1.899 -5.561 7.919
217 HE3 LYS 29 HE3 LYS 29 -3.560 -5.856 8.432
218 HZ1 LYS 29 HZ1 LYS 29 -4.124 -5.114 6.427
219 HZ2 LYS 29 HZ2 LYS 29 -2.588 -4.476 6.119
220 HZ3 LYS 29 HZ3 LYS 29 -3.725 -3.564 6.976
221 H ARG 30 H ARG 30 -2.261 -5.750 14.018
222 HA ARG 30 HA ARG 30 -3.059 -8.322 14.825
223 HB2 ARG 30 HB2 ARG 30 -0.786 -9.291 15.242
224 HB3 ARG 30 HB3 ARG 30 -1.232 -9.187 13.543
225 HG2 ARG 30 HG2 ARG 30 0.061 -6.796 14.024
226 HG3 ARG 30 HG3 ARG 30 0.982 -7.973 14.961
227 HD2 ARG 30 HD2 ARG 30 0.398 -7.983 12.012
228 HD3 ARG 30 HD3 ARG 30 1.968 -7.921 12.813
229 HE ARG 30 HE ARG 30 0.977 -10.277 13.653
230 HH11 ARG 30 HH11 ARG 30 1.282 -8.843 10.496
231 HH12 ARG 30 HH12 ARG 30 1.461 -10.361 9.680
232 HH21 ARG 30 HH21 ARG 30 1.211 -12.282 12.590
233 HH22 ARG 30 HH22 ARG 30 1.419 -12.316 10.873
234 H ALA 31 H ALA 31 -1.558 -8.883 16.954
235 HA ALA 31 HA ALA 31 -1.582 -6.388 18.523
236 HB1 ALA 31 HB1 ALA 31 -2.292 -9.199 19.328
237 HB2 ALA 31 HB2 ALA 31 -2.036 -7.894 20.488
238 HB3 ALA 31 HB3 ALA 31 -3.338 -7.778 19.303
239 H ILE 32 H ILE 32 0.561 -5.831 18.367
240 HA ILE 32 HA ILE 32 2.439 -7.656 19.704
241 HB ILE 32 HB ILE 32 4.225 -6.748 18.142
242 HG12 ILE 32 HG12 ILE 32 2.254 -6.341 16.010
243 HG13 ILE 32 HG13 ILE 32 2.189 -5.111 17.268
244 HG21 ILE 32 HG21 ILE 32 2.325 -8.860 17.803
245 HG22 ILE 32 HG22 ILE 32 2.816 -8.248 16.224
246 HG23 ILE 32 HG23 ILE 32 4.033 -8.819 17.366
247 HD11 ILE 32 HD11 ILE 32 4.832 -5.844 16.127
248 HD12 ILE 32 HD12 ILE 32 3.739 -4.834 15.180
249 HD13 ILE 32 HD13 ILE 32 4.268 -4.306 16.777
250 H LYS 33 H LYS 33 2.678 -6.605 21.597
251 HA LYS 33 HA LYS 33 2.888 -3.726 21.714
252 HB2 LYS 33 HB2 LYS 33 3.225 -4.137 24.165
253 HB3 LYS 33 HB3 LYS 33 1.724 -4.783 23.516
254 HG2 LYS 33 HG2 LYS 33 2.243 -6.827 24.187
255 HG3 LYS 33 HG3 LYS 33 3.801 -6.760 23.360
256 HD2 LYS 33 HD2 LYS 33 4.924 -6.167 25.241
257 HD3 LYS 33 HD3 LYS 33 3.574 -5.226 25.880
258 HE2 LYS 33 HE2 LYS 33 2.430 -7.258 26.535
259 HE3 LYS 33 HE3 LYS 33 3.700 -8.239 25.807
260 HZ1 LYS 33 HZ1 LYS 33 3.607 -7.056 28.386
261 HZ2 LYS 33 HZ2 LYS 33 4.986 -6.545 27.551
262 HZ3 LYS 33 HZ3 LYS 33 4.695 -8.196 27.773
263 H ASN 34 H ASN 34 4.734 -2.888 20.948
264 HA ASN 34 HA ASN 34 7.261 -3.996 21.981
265 HB2 ASN 34 HB2 ASN 34 6.732 -2.784 19.260
266 HB3 ASN 34 HB3 ASN 34 8.329 -3.212 19.868
267 HD21 ASN 34 HD21 ASN 34 5.714 -4.252 18.110
268 HD22 ASN 34 HD22 ASN 34 6.050 -5.947 18.099
269 H GLU 35 H GLU 35 7.738 -2.614 23.599
270 HA GLU 35 HA GLU 35 7.211 0.193 23.457
271 HB2 GLU 35 HB2 GLU 35 7.780 -1.627 25.483
272 HB3 GLU 35 HB3 GLU 35 9.190 -0.579 25.443
273 HG2 GLU 35 HG2 GLU 35 6.325 0.238 25.837
274 HG3 GLU 35 HG3 GLU 35 7.632 0.302 27.018
275 H GLN 36 H GLN 36 10.100 -1.827 23.147
276 HA GLN 36 HA GLN 36 11.895 0.365 22.826
277 HB2 GLN 36 HB2 GLN 36 12.853 -1.651 23.604
278 HB3 GLN 36 HB3 GLN 36 12.115 -2.593 22.315
279 HG2 GLN 36 HG2 GLN 36 13.814 -2.227 20.929
280 HG3 GLN 36 HG3 GLN 36 13.867 -0.507 21.311
281 HE21 GLN 36 HE21 GLN 36 16.180 -0.777 21.168
282 HE22 GLN 36 HE22 GLN 36 17.056 -1.369 22.535
283 H LEU 37 H LEU 37 10.419 -1.940 20.554
284 HA LEU 37 HA LEU 37 11.577 -0.904 18.221
285 HB2 LEU 37 HB2 LEU 37 10.240 -3.083 18.625
286 HB3 LEU 37 HB3 LEU 37 8.828 -2.089 18.267
287 HG LEU 37 HG LEU 37 10.133 -1.514 16.082
288 HD11 LEU 37 HD11 LEU 37 12.224 -2.483 16.430
289 HD12 LEU 37 HD12 LEU 37 11.400 -3.622 15.366
290 HD13 LEU 37 HD13 LEU 37 11.533 -3.965 17.091
291 HD21 LEU 37 HD21 LEU 37 9.173 -3.585 15.026
292 HD22 LEU 37 HD22 LEU 37 8.046 -2.640 15.999
293 HD23 LEU 37 HD23 LEU 37 8.744 -4.123 16.651
294 H LEU 38 H LEU 38 8.619 -0.049 19.938
295 HA LEU 38 HA LEU 38 7.543 1.687 18.005
296 HB2 LEU 38 HB2 LEU 38 6.192 0.884 19.818
297 HB3 LEU 38 HB3 LEU 38 7.260 1.635 21.003
298 HG LEU 38 HG LEU 38 4.974 2.729 20.454
299 HD11 LEU 38 HD11 LEU 38 5.805 4.480 21.549
300 HD12 LEU 38 HD12 LEU 38 6.937 4.859 20.250
301 HD13 LEU 38 HD13 LEU 38 7.363 3.659 21.469
302 HD21 LEU 38 HD21 LEU 38 5.809 2.660 17.917
303 HD22 LEU 38 HD22 LEU 38 6.433 4.244 18.374
304 HD23 LEU 38 HD23 LEU 38 4.711 3.897 18.530
305 H GLN 39 H GLN 39 9.615 2.339 20.819
306 HA GLN 39 HA GLN 39 9.787 5.124 20.438
307 HB2 GLN 39 HB2 GLN 39 10.629 3.381 22.366
308 HB3 GLN 39 HB3 GLN 39 12.153 3.829 21.611
309 HG2 GLN 39 HG2 GLN 39 10.203 5.939 22.424
310 HG3 GLN 39 HG3 GLN 39 11.262 5.193 23.619
311 HE21 GLN 39 HE21 GLN 39 13.473 5.551 23.514
312 HE22 GLN 39 HE22 GLN 39 14.158 6.817 22.560
313 H LEU 40 H LEU 40 12.038 2.519 19.526
314 HA LEU 40 HA LEU 40 13.921 4.146 18.238
315 HB2 LEU 40 HB2 LEU 40 13.769 1.519 18.856
316 HB3 LEU 40 HB3 LEU 40 13.491 1.455 17.117
317 HG LEU 40 HG LEU 40 15.918 2.553 18.531
318 HD11 LEU 40 HD11 LEU 40 17.090 0.749 17.439
319 HD12 LEU 40 HD12 LEU 40 15.607 0.230 16.636
320 HD13 LEU 40 HD13 LEU 40 15.753 0.097 18.389
321 HD21 LEU 40 HD21 LEU 40 15.109 2.632 15.635
322 HD22 LEU 40 HD22 LEU 40 16.784 2.790 16.165
323 HD23 LEU 40 HD23 LEU 40 15.582 3.975 16.676
324 H ILE 41 H ILE 41 11.236 2.252 16.862
325 HA ILE 41 HA ILE 41 11.607 3.075 14.201
326 HB ILE 41 HB ILE 41 9.144 2.092 15.636
327 HG12 ILE 41 HG12 ILE 41 11.031 0.502 15.373
328 HG13 ILE 41 HG13 ILE 41 9.600 0.005 14.477
329 HG21 ILE 41 HG21 ILE 41 9.539 2.777 12.736
330 HG22 ILE 41 HG22 ILE 41 8.273 1.685 13.295
331 HG23 ILE 41 HG23 ILE 41 8.293 3.363 13.837
332 HD11 ILE 41 HD11 ILE 41 11.592 -0.366 13.168
333 HD12 ILE 41 HD12 ILE 41 10.604 0.892 12.423
334 HD13 ILE 41 HD13 ILE 41 12.048 1.330 13.336
335 H PHE 42 H PHE 42 9.893 4.529 16.889
336 HA PHE 42 HA PHE 42 8.335 6.386 15.497
337 HB2 PHE 42 HB2 PHE 42 7.904 6.068 17.817
338 HB3 PHE 42 HB3 PHE 42 9.563 6.461 18.252
339 HD1 PHE 42 HD2 PHE 42 6.900 8.123 16.229
340 HD2 PHE 42 HD1 PHE 42 9.724 8.431 19.398
341 HE1 PHE 42 HE2 PHE 42 6.246 10.470 16.579
342 HE2 PHE 42 HE1 PHE 42 9.074 10.778 19.753
343 HZ PHE 42 HZ PHE 42 7.334 11.800 18.342
344 H LYS 43 H LYS 43 11.577 6.786 16.914
345 HA LYS 43 HA LYS 43 11.933 9.408 15.850
346 HB2 LYS 43 HB2 LYS 43 13.213 7.852 17.752
347 HB3 LYS 43 HB3 LYS 43 14.396 7.963 16.454
348 HG2 LYS 43 HG2 LYS 43 14.517 10.293 16.609
349 HG3 LYS 43 HG3 LYS 43 13.021 10.396 17.540
350 HD2 LYS 43 HD2 LYS 43 14.770 10.747 19.088
351 HD3 LYS 43 HD3 LYS 43 14.224 9.090 19.351
352 HE2 LYS 43 HE2 LYS 43 16.428 9.523 17.412
353 HE3 LYS 43 HE3 LYS 43 16.797 9.727 19.123
354 HZ1 LYS 43 HZ1 LYS 43 15.708 7.470 19.414
355 HZ2 LYS 43 HZ2 LYS 43 17.227 7.493 18.671
356 HZ3 LYS 43 HZ3 LYS 43 15.830 7.302 17.735
357 H SER 44 H SER 44 12.656 6.175 14.742
358 HA SER 44 HA SER 44 14.477 6.881 12.691
359 HB2 SER 44 HB2 SER 44 12.765 4.464 13.221
360 HB3 SER 44 HB3 SER 44 13.702 4.598 11.733
361 HG SER 44 HG SER 44 15.571 4.692 12.938
362 H ILE 45 H ILE 45 10.992 6.160 12.621
363 HA ILE 45 HA ILE 45 10.661 6.691 9.863
364 HB ILE 45 HB ILE 45 8.648 6.719 12.112
365 HG12 ILE 45 HG12 ILE 45 9.320 4.652 10.006
366 HG13 ILE 45 HG13 ILE 45 9.688 4.540 11.724
367 HG21 ILE 45 HG21 ILE 45 8.211 6.831 9.132
368 HG22 ILE 45 HG22 ILE 45 6.946 6.549 10.327
369 HG23 ILE 45 HG23 ILE 45 7.813 8.084 10.306
370 HD11 ILE 45 HD11 ILE 45 6.958 4.547 10.463
371 HD12 ILE 45 HD12 ILE 45 7.779 3.181 11.220
372 HD13 ILE 45 HD13 ILE 45 7.267 4.556 12.199
373 H ASP 46 H ASP 46 10.492 8.707 12.733
374 HA ASP 46 HA ASP 46 9.466 10.991 11.303
375 HB2 ASP 46 HB2 ASP 46 9.262 10.321 13.867
376 HB3 ASP 46 HB3 ASP 46 10.741 11.271 13.984
377 H ALA 47 H ALA 47 10.652 12.309 10.104
378 HA ALA 47 HA ALA 47 13.456 12.098 9.871
379 HB1 ALA 47 HB1 ALA 47 11.755 12.962 8.158
380 HB2 ALA 47 HB2 ALA 47 11.902 14.508 8.993
381 HB3 ALA 47 HB3 ALA 47 13.320 13.771 8.249
382 H ASP 48 H ASP 48 11.372 14.390 11.576
383 HA ASP 48 HA ASP 48 13.771 15.615 12.764
384 HB2 ASP 48 HB2 ASP 48 12.282 17.519 13.339
385 HB3 ASP 48 HB3 ASP 48 12.382 17.230 11.605
386 H GLY 49 H GLY 49 11.096 13.612 13.400
387 HA2 GLY 49 HA2 GLY 49 10.308 12.630 15.319
388 HA3 GLY 49 HA3 GLY 49 11.882 12.996 16.010
389 H ASN 50 H ASN 50 9.636 15.423 14.832
390 HA ASN 50 HA ASN 50 9.652 16.690 17.435
391 HB2 ASN 50 HB2 ASN 50 8.415 18.507 16.293
392 HB3 ASN 50 HB3 ASN 50 9.913 18.093 15.462
393 HD21 ASN 50 HD21 ASN 50 7.925 19.472 14.188
394 HD22 ASN 50 HD22 ASN 50 7.213 18.473 12.971
395 H GLY 51 H GLY 51 8.467 15.021 18.565
396 HA2 GLY 51 HA2 GLY 51 6.542 14.330 19.616
397 HA3 GLY 51 HA3 GLY 51 5.699 15.625 18.778
398 H GLU 52 H GLU 52 6.065 14.909 16.142
399 HA GLU 52 HA GLU 52 5.213 12.157 15.812
400 HB2 GLU 52 HB2 GLU 52 3.178 12.994 14.467
401 HB3 GLU 52 HB3 GLU 52 3.064 12.972 16.222
402 HG2 GLU 52 HG2 GLU 52 2.160 15.020 15.086
403 HG3 GLU 52 HG3 GLU 52 3.332 15.307 16.370
404 H ILE 53 H ILE 53 4.885 11.623 13.478
405 HA ILE 53 HA ILE 53 6.931 12.984 11.907
406 HB ILE 53 HB ILE 53 5.416 10.537 11.039
407 HG12 ILE 53 HG12 ILE 53 7.866 9.697 12.098
408 HG13 ILE 53 HG13 ILE 53 7.214 10.805 13.299
409 HG21 ILE 53 HG21 ILE 53 6.682 11.142 9.249
410 HG22 ILE 53 HG22 ILE 53 7.893 11.954 10.239
411 HG23 ILE 53 HG23 ILE 53 7.887 10.195 10.120
412 HD11 ILE 53 HD11 ILE 53 5.189 8.989 12.346
413 HD12 ILE 53 HD12 ILE 53 6.589 8.126 12.983
414 HD13 ILE 53 HD13 ILE 53 5.745 9.302 13.991
415 H ASP 54 H ASP 54 6.415 14.490 10.477
416 HA ASP 54 HA ASP 54 3.682 14.961 9.720
417 HB2 ASP 54 HB2 ASP 54 6.209 16.294 8.721
418 HB3 ASP 54 HB3 ASP 54 4.564 16.884 8.499
419 H GLN 55 H GLN 55 2.986 15.178 7.470
420 HA GLN 55 HA GLN 55 3.317 12.857 5.997
421 HB2 GLN 55 HB2 GLN 55 2.304 14.146 4.102
422 HB3 GLN 55 HB3 GLN 55 1.406 14.244 5.611
423 HG2 GLN 55 HG2 GLN 55 2.523 16.436 6.039
424 HG3 GLN 55 HG3 GLN 55 3.200 16.339 4.415
425 HE21 GLN 55 HE21 GLN 55 0.359 16.867 6.309
426 HE22 GLN 55 HE22 GLN 55 -0.659 17.400 5.020
427 H ASN 56 H ASN 56 4.894 16.006 5.548
428 HA ASN 56 HA ASN 56 6.345 15.391 3.246
429 HB2 ASN 56 HB2 ASN 56 6.070 17.608 4.797
430 HB3 ASN 56 HB3 ASN 56 7.712 17.123 5.208
431 HD21 ASN 56 HD21 ASN 56 5.572 17.872 2.515
432 HD22 ASN 56 HD22 ASN 56 6.813 18.431 1.449
433 H GLU 57 H GLU 57 7.327 15.144 6.659
434 HA GLU 57 HA GLU 57 9.898 14.133 6.206
435 HB2 GLU 57 HB2 GLU 57 8.082 13.595 8.562
436 HB3 GLU 57 HB3 GLU 57 9.826 13.370 8.532
437 HG2 GLU 57 HG2 GLU 57 10.260 15.596 8.681
438 HG3 GLU 57 HG3 GLU 57 8.773 16.056 7.857
439 H PHE 58 H PHE 58 6.798 12.482 6.613
440 HA PHE 58 HA PHE 58 7.789 9.853 6.656
441 HB2 PHE 58 HB2 PHE 58 5.419 10.731 7.205
442 HB3 PHE 58 HB3 PHE 58 5.120 10.579 5.477
443 HD1 PHE 58 HD2 PHE 58 5.804 8.761 8.583
444 HD2 PHE 58 HD1 PHE 58 4.913 8.428 4.434
445 HE1 PHE 58 HE2 PHE 58 5.289 6.375 8.889
446 HE2 PHE 58 HE1 PHE 58 4.396 6.041 4.733
447 HZ PHE 58 HZ PHE 58 4.585 5.011 6.962
448 H ALA 59 H ALA 59 6.670 11.889 3.980
449 HA ALA 59 HA ALA 59 6.890 9.983 1.937
450 HB1 ALA 59 HB1 ALA 59 5.827 11.723 1.020
451 HB2 ALA 59 HB2 ALA 59 6.582 12.882 2.116
452 HB3 ALA 59 HB3 ALA 59 7.442 12.345 0.672
453 H LYS 60 H LYS 60 9.216 12.473 2.981
454 HA LYS 60 HA LYS 60 11.263 11.717 1.195
455 HB2 LYS 60 HB2 LYS 60 11.018 13.459 3.564
456 HB3 LYS 60 HB3 LYS 60 12.635 12.841 3.253
457 HG2 LYS 60 HG2 LYS 60 12.246 15.033 2.224
458 HG3 LYS 60 HG3 LYS 60 12.610 13.785 1.030
459 HD2 LYS 60 HD2 LYS 60 10.589 13.954 0.063
460 HD3 LYS 60 HD3 LYS 60 9.755 14.101 1.612
461 HE2 LYS 60 HE2 LYS 60 9.380 16.189 0.760
462 HE3 LYS 60 HE3 LYS 60 10.896 16.477 1.612
463 HZ1 LYS 60 HZ1 LYS 60 11.914 16.953 -0.286
464 HZ2 LYS 60 HZ2 LYS 60 10.399 16.961 -1.037
465 HZ3 LYS 60 HZ3 LYS 60 11.340 15.556 -1.048
466 H PHE 61 H PHE 61 10.220 10.430 4.230
467 HA PHE 61 HA PHE 61 12.662 9.013 4.787
468 HB2 PHE 61 HB2 PHE 61 11.483 9.488 6.736
469 HB3 PHE 61 HB3 PHE 61 9.927 9.100 6.009
470 HD1 PHE 61 HD1 PHE 61 13.144 7.272 6.517
471 HD2 PHE 61 HD2 PHE 61 8.915 7.300 6.990
472 HE1 PHE 61 HE1 PHE 61 13.245 5.025 7.515
473 HE2 PHE 61 HE2 PHE 61 9.007 5.055 7.989
474 HZ PHE 61 HZ PHE 61 11.174 3.914 8.255
475 H TYR 62 H TYR 62 9.598 8.324 3.231
476 HA TYR 62 HA TYR 62 9.777 5.528 3.131
477 HB2 TYR 62 HB2 TYR 62 7.706 6.685 2.608
478 HB3 TYR 62 HB3 TYR 62 8.452 7.454 1.212
479 HD1 TYR 62 HD2 TYR 62 7.760 4.047 2.581
480 HD2 TYR 62 HD1 TYR 62 8.134 6.504 -0.872
481 HE1 TYR 62 HE2 TYR 62 7.047 2.163 1.171
482 HE2 TYR 62 HE1 TYR 62 7.420 4.626 -2.292
483 HH TYR 62 HH TYR 62 7.096 1.405 -1.052
484 H GLY 63 H GLY 63 11.258 4.298 2.192
485 HA2 GLY 63 HA2 GLY 63 12.563 3.449 0.466
486 HA3 GLY 63 HA3 GLY 63 12.148 4.857 -0.502
487 H SER 64 H SER 64 13.149 5.938 2.461
488 HA SER 64 HA SER 64 15.766 6.647 1.379
489 HB2 SER 64 HB2 SER 64 14.372 8.457 2.280
490 HB3 SER 64 HB3 SER 64 14.324 7.649 3.847
491 HG SER 64 HG SER 64 16.281 9.201 2.740
492 H ILE 65 H ILE 65 15.080 3.952 2.467
493 HA ILE 65 HA ILE 65 16.741 3.795 4.858
494 HB ILE 65 HB ILE 65 15.495 1.439 3.474
495 HG12 ILE 65 HG12 ILE 65 13.697 2.010 5.418
496 HG13 ILE 65 HG13 ILE 65 14.164 3.638 4.940
497 HG21 ILE 65 HG21 ILE 65 16.984 1.864 5.866
498 HG22 ILE 65 HG22 ILE 65 15.365 1.310 6.292
499 HG23 ILE 65 HG23 ILE 65 16.365 0.353 5.200
500 HD11 ILE 65 HD11 ILE 65 12.364 1.855 3.668
501 HD12 ILE 65 HD12 ILE 65 12.786 3.510 3.223
502 HD13 ILE 65 HD13 ILE 65 13.717 2.158 2.578
503 H GLN 66 H GLN 66 17.642 4.283 1.946
504 HA GLN 66 HA GLN 66 19.146 2.068 1.095
505 HB2 GLN 66 HB2 GLN 66 19.610 5.016 0.617
506 HB3 GLN 66 HB3 GLN 66 20.424 3.720 -0.250
507 HG2 GLN 66 HG2 GLN 66 18.297 2.959 -1.144
508 HG3 GLN 66 HG3 GLN 66 17.456 4.219 -0.243
509 HE21 GLN 66 HE21 GLN 66 18.999 6.394 -0.636
510 HE22 GLN 66 HE22 GLN 66 19.048 6.809 -2.313
Start of MODEL 4
1 H1 MET 1 H MET 1 -0.137 4.181 -3.982
2 HA MET 1 HA MET 1 -1.108 3.998 -1.582
3 HB2 MET 1 HB2 MET 1 -0.535 1.137 -2.368
4 HB3 MET 1 HB3 MET 1 -0.827 1.671 -0.718
5 HG2 MET 1 HG2 MET 1 -3.053 1.970 -1.056
6 HG3 MET 1 HG3 MET 1 -2.855 2.357 -2.763
7 HE1 MET 1 HE1 MET 1 -2.795 -0.991 -4.552
8 HE2 MET 1 HE2 MET 1 -3.005 0.757 -4.661
9 HE3 MET 1 HE3 MET 1 -1.440 0.082 -4.200
10 H ALA 2 H ALA 2 0.794 5.387 -1.746
11 HA ALA 2 HA ALA 2 3.275 3.945 -1.069
12 HB1 ALA 2 HB1 ALA 2 3.574 5.030 -3.180
13 HB2 ALA 2 HB2 ALA 2 2.940 6.549 -2.546
14 HB3 ALA 2 HB3 ALA 2 4.487 5.929 -1.967
15 H GLU 3 H GLU 3 2.145 7.315 -0.788
16 HA GLU 3 HA GLU 3 2.962 7.245 2.040
17 HB2 GLU 3 HB2 GLU 3 3.263 9.680 1.865
18 HB3 GLU 3 HB3 GLU 3 4.273 8.813 0.717
19 HG2 GLU 3 HG2 GLU 3 1.661 9.599 -0.337
20 HG3 GLU 3 HG3 GLU 3 2.700 10.947 0.123
21 H ALA 4 H ALA 4 0.355 7.753 -0.140
22 HA ALA 4 HA ALA 4 -1.366 9.393 1.264
23 HB1 ALA 4 HB1 ALA 4 -2.455 6.981 -0.115
24 HB2 ALA 4 HB2 ALA 4 -3.043 8.643 -0.124
25 HB3 ALA 4 HB3 ALA 4 -1.607 8.212 -1.052
26 H LEU 5 H LEU 5 -0.419 6.124 1.941
27 HA LEU 5 HA LEU 5 -2.555 5.329 3.577
28 HB2 LEU 5 HB2 LEU 5 0.265 4.499 4.127
29 HB3 LEU 5 HB3 LEU 5 -1.217 3.555 4.256
30 HG LEU 5 HG LEU 5 0.251 4.322 1.738
31 HD11 LEU 5 HD11 LEU 5 -0.042 1.860 3.364
32 HD12 LEU 5 HD12 LEU 5 1.337 2.455 2.440
33 HD13 LEU 5 HD13 LEU 5 -0.013 1.685 1.609
34 HD21 LEU 5 HD21 LEU 5 -1.752 2.558 1.048
35 HD22 LEU 5 HD22 LEU 5 -1.736 4.292 0.727
36 HD23 LEU 5 HD23 LEU 5 -2.549 3.668 2.163
37 H PHE 6 H PHE 6 0.397 7.128 4.289
38 HA PHE 6 HA PHE 6 0.175 7.153 7.085
39 HB2 PHE 6 HB2 PHE 6 2.252 7.849 6.286
40 HB3 PHE 6 HB3 PHE 6 1.542 8.923 5.086
41 HD1 PHE 6 HD1 PHE 6 0.533 11.079 5.820
42 HD2 PHE 6 HD2 PHE 6 2.788 8.608 8.451
43 HE1 PHE 6 HE1 PHE 6 0.830 12.984 7.349
44 HE2 PHE 6 HE2 PHE 6 3.089 10.509 9.983
45 HZ PHE 6 HZ PHE 6 2.109 12.701 9.434
46 H LYS 7 H LYS 7 -0.983 9.467 4.651
47 HA LYS 7 HA LYS 7 -2.215 11.183 6.578
48 HB2 LYS 7 HB2 LYS 7 -2.494 10.987 3.576
49 HB3 LYS 7 HB3 LYS 7 -3.275 12.225 4.552
50 HG2 LYS 7 HG2 LYS 7 -1.006 12.908 5.350
51 HG3 LYS 7 HG3 LYS 7 -0.324 11.795 4.160
52 HD2 LYS 7 HD2 LYS 7 -0.834 13.142 2.415
53 HD3 LYS 7 HD3 LYS 7 -2.348 13.685 3.142
54 HE2 LYS 7 HE2 LYS 7 -0.617 14.845 4.823
55 HE3 LYS 7 HE3 LYS 7 0.387 14.795 3.375
56 HZ1 LYS 7 HZ1 LYS 7 -1.524 16.666 3.974
57 HZ2 LYS 7 HZ2 LYS 7 -2.246 15.702 2.788
58 HZ3 LYS 7 HZ3 LYS 7 -0.761 16.450 2.479
59 H GLU 8 H GLU 8 -3.189 8.372 4.792
60 HA GLU 8 HA GLU 8 -5.992 8.716 4.976
61 HB2 GLU 8 HB2 GLU 8 -4.811 7.119 3.443
62 HB3 GLU 8 HB3 GLU 8 -4.477 6.106 4.841
63 HG2 GLU 8 HG2 GLU 8 -7.025 6.136 5.200
64 HG3 GLU 8 HG3 GLU 8 -7.098 6.698 3.532
65 H ILE 9 H ILE 9 -3.621 7.114 7.055
66 HA ILE 9 HA ILE 9 -5.506 6.043 8.883
67 HB ILE 9 HB ILE 9 -2.574 6.665 9.243
68 HG12 ILE 9 HG12 ILE 9 -3.131 4.965 7.521
69 HG13 ILE 9 HG13 ILE 9 -2.242 4.286 8.881
70 HG21 ILE 9 HG21 ILE 9 -3.502 6.615 11.418
71 HG22 ILE 9 HG22 ILE 9 -4.517 5.227 11.030
72 HG23 ILE 9 HG23 ILE 9 -2.770 5.032 11.158
73 HD11 ILE 9 HD11 ILE 9 -5.220 4.106 8.485
74 HD12 ILE 9 HD12 ILE 9 -4.055 2.830 8.134
75 HD13 ILE 9 HD13 ILE 9 -4.290 3.376 9.794
76 H ASP 10 H ASP 10 -4.119 9.174 8.472
77 HA ASP 10 HA ASP 10 -4.633 10.085 11.151
78 HB2 ASP 10 HB2 ASP 10 -3.570 11.262 8.645
79 HB3 ASP 10 HB3 ASP 10 -4.343 12.379 9.767
80 H VAL 11 H VAL 11 -6.888 9.377 11.220
81 HA VAL 11 HA VAL 11 -8.910 10.378 9.571
82 HB VAL 11 HB VAL 11 -9.208 9.746 12.508
83 HG11 VAL 11 HG11 VAL 11 -11.447 8.859 11.238
84 HG12 VAL 11 HG12 VAL 11 -11.297 10.421 12.043
85 HG13 VAL 11 HG13 VAL 11 -11.055 10.299 10.300
86 HG21 VAL 11 HG21 VAL 11 -9.908 7.456 11.491
87 HG22 VAL 11 HG22 VAL 11 -8.910 7.961 10.127
88 HG23 VAL 11 HG23 VAL 11 -8.199 7.814 11.735
89 H ASN 12 H ASN 12 -7.056 11.922 12.011
90 HA ASN 12 HA ASN 12 -8.973 14.023 12.526
91 HB2 ASN 12 HB2 ASN 12 -6.940 15.046 13.736
92 HB3 ASN 12 HB3 ASN 12 -7.614 13.553 14.385
93 HD21 ASN 12 HD21 ASN 12 -5.600 13.184 15.404
94 HD22 ASN 12 HD22 ASN 12 -4.258 12.559 14.512
95 H GLY 13 H GLY 13 -7.077 13.328 9.951
96 HA2 GLY 13 HA2 GLY 13 -6.185 14.542 8.214
97 HA3 GLY 13 HA3 GLY 13 -7.472 15.682 8.578
98 H ASP 14 H ASP 14 -4.596 14.766 10.452
99 HA ASP 14 HA ASP 14 -3.893 17.615 10.585
100 HB2 ASP 14 HB2 ASP 14 -2.481 16.921 12.539
101 HB3 ASP 14 HB3 ASP 14 -4.208 16.654 12.763
102 H GLY 15 H GLY 15 -2.933 14.647 9.224
103 HA2 GLY 15 HA2 GLY 15 -1.179 14.120 7.834
104 HA3 GLY 15 HA3 GLY 15 -0.763 15.827 7.827
105 H ALA 16 H ALA 16 -0.973 14.295 10.894
106 HA ALA 16 HA ALA 16 1.940 13.909 10.972
107 HB1 ALA 16 HB1 ALA 16 1.420 14.832 13.486
108 HB2 ALA 16 HB2 ALA 16 2.079 15.799 12.166
109 HB3 ALA 16 HB3 ALA 16 0.348 15.829 12.502
110 H VAL 17 H VAL 17 2.612 12.139 12.059
111 HA VAL 17 HA VAL 17 0.595 10.636 13.597
112 HB VAL 17 HB VAL 17 2.663 9.562 11.679
113 HG11 VAL 17 HG11 VAL 17 1.794 8.385 14.085
114 HG12 VAL 17 HG12 VAL 17 0.984 7.524 12.776
115 HG13 VAL 17 HG13 VAL 17 2.744 7.647 12.796
116 HG21 VAL 17 HG21 VAL 17 0.231 10.403 11.054
117 HG22 VAL 17 HG22 VAL 17 0.936 8.969 10.307
118 HG23 VAL 17 HG23 VAL 17 -0.207 8.797 11.639
119 H SER 18 H SER 18 1.155 10.644 15.666
120 HA SER 18 HA SER 18 3.918 10.965 16.468
121 HB2 SER 18 HB2 SER 18 2.402 10.489 18.763
122 HB3 SER 18 HB3 SER 18 2.869 12.064 18.123
123 HG SER 18 HG SER 18 0.611 11.908 18.407
124 H TYR 19 H TYR 19 4.541 9.561 18.490
125 HA TYR 19 HA TYR 19 5.134 7.016 17.653
126 HB2 TYR 19 HB2 TYR 19 5.601 6.490 20.025
127 HB3 TYR 19 HB3 TYR 19 6.257 8.052 19.546
128 HD1 TYR 19 HD2 TYR 19 5.090 10.144 20.269
129 HD2 TYR 19 HD1 TYR 19 3.989 6.313 21.757
130 HE1 TYR 19 HE2 TYR 19 3.914 11.216 22.143
131 HE2 TYR 19 HE1 TYR 19 2.809 7.375 23.635
132 HH TYR 19 HH TYR 19 2.424 9.297 24.718
133 H GLU 20 H GLU 20 2.395 8.033 19.669
134 HA GLU 20 HA GLU 20 1.318 5.486 20.123
135 HB2 GLU 20 HB2 GLU 20 0.490 8.246 20.490
136 HB3 GLU 20 HB3 GLU 20 -0.860 7.222 20.023
137 HG2 GLU 20 HG2 GLU 20 0.112 5.652 21.893
138 HG3 GLU 20 HG3 GLU 20 0.807 7.163 22.480
139 H GLU 21 H GLU 21 0.569 7.885 17.607
140 HA GLU 21 HA GLU 21 -1.447 6.467 16.305
141 HB2 GLU 21 HB2 GLU 21 0.461 8.614 15.507
142 HB3 GLU 21 HB3 GLU 21 -0.431 7.791 14.236
143 HG2 GLU 21 HG2 GLU 21 -2.320 8.414 16.200
144 HG3 GLU 21 HG3 GLU 21 -1.300 9.843 16.040
145 H VAL 22 H VAL 22 2.053 6.257 16.014
146 HA VAL 22 HA VAL 22 2.136 4.626 13.712
147 HB VAL 22 HB VAL 22 4.109 4.975 15.968
148 HG11 VAL 22 HG11 VAL 22 5.036 3.066 15.254
149 HG12 VAL 22 HG12 VAL 22 4.070 3.041 13.778
150 HG13 VAL 22 HG13 VAL 22 5.546 4.004 13.851
151 HG21 VAL 22 HG21 VAL 22 5.292 6.398 14.476
152 HG22 VAL 22 HG22 VAL 22 4.263 5.939 13.119
153 HG23 VAL 22 HG23 VAL 22 3.604 6.907 14.437
154 H LYS 23 H LYS 23 2.477 3.766 17.157
155 HA LYS 23 HA LYS 23 2.619 1.009 16.846
156 HB2 LYS 23 HB2 LYS 23 2.199 2.873 19.013
157 HB3 LYS 23 HB3 LYS 23 1.195 1.445 19.227
158 HG2 LYS 23 HG2 LYS 23 4.101 1.168 18.580
159 HG3 LYS 23 HG3 LYS 23 3.571 1.485 20.234
160 HD2 LYS 23 HD2 LYS 23 2.526 -0.786 18.549
161 HD3 LYS 23 HD3 LYS 23 3.887 -0.940 19.661
162 HE2 LYS 23 HE2 LYS 23 1.486 0.291 20.817
163 HE3 LYS 23 HE3 LYS 23 1.283 -1.387 20.314
164 HZ1 LYS 23 HZ1 LYS 23 3.426 -1.795 21.601
165 HZ2 LYS 23 HZ2 LYS 23 2.021 -1.519 22.501
166 HZ3 LYS 23 HZ3 LYS 23 3.160 -0.282 22.310
167 H ALA 24 H ALA 24 -0.190 3.127 17.014
168 HA ALA 24 HA ALA 24 -2.134 1.064 17.183
169 HB1 ALA 24 HB1 ALA 24 -2.108 3.945 16.979
170 HB2 ALA 24 HB2 ALA 24 -3.373 3.238 15.974
171 HB3 ALA 24 HB3 ALA 24 -3.314 2.876 17.698
172 H PHE 25 H PHE 25 -0.739 2.878 14.480
173 HA PHE 25 HA PHE 25 -2.353 2.016 12.416
174 HB2 PHE 25 HB2 PHE 25 -0.512 3.704 12.241
175 HB3 PHE 25 HB3 PHE 25 0.644 2.376 12.244
176 HD1 PHE 25 HD1 PHE 25 -2.335 1.451 10.589
177 HD2 PHE 25 HD2 PHE 25 1.298 3.606 10.062
178 HE1 PHE 25 HE1 PHE 25 -2.569 1.244 8.148
179 HE2 PHE 25 HE2 PHE 25 1.068 3.403 7.621
180 HZ PHE 25 HZ PHE 25 -0.868 2.222 6.661
181 H VAL 26 H VAL 26 0.623 0.464 13.605
182 HA VAL 26 HA VAL 26 0.412 -1.788 11.885
183 HB VAL 26 HB VAL 26 2.439 -0.828 13.335
184 HG11 VAL 26 HG11 VAL 26 1.557 -3.200 14.967
185 HG12 VAL 26 HG12 VAL 26 2.919 -2.119 15.270
186 HG13 VAL 26 HG13 VAL 26 1.267 -1.530 15.451
187 HG21 VAL 26 HG21 VAL 26 2.257 -2.704 11.536
188 HG22 VAL 26 HG22 VAL 26 3.670 -2.634 12.589
189 HG23 VAL 26 HG23 VAL 26 2.377 -3.787 12.923
190 H SER 27 H SER 27 -0.845 -1.022 15.043
191 HA SER 27 HA SER 27 -1.423 -3.598 15.971
192 HB2 SER 27 HB2 SER 27 -2.210 -0.862 16.643
193 HB3 SER 27 HB3 SER 27 -3.481 -2.042 16.963
194 HG SER 27 HG SER 27 -0.799 -2.308 17.850
195 H LYS 28 H LYS 28 -2.908 -1.685 13.517
196 HA LYS 28 HA LYS 28 -5.444 -2.996 13.509
197 HB2 LYS 28 HB2 LYS 28 -4.032 -1.023 11.819
198 HB3 LYS 28 HB3 LYS 28 -5.241 -2.002 10.998
199 HG2 LYS 28 HG2 LYS 28 -6.128 0.136 11.838
200 HG3 LYS 28 HG3 LYS 28 -6.948 -1.269 12.525
201 HD2 LYS 28 HD2 LYS 28 -5.561 -1.067 14.546
202 HD3 LYS 28 HD3 LYS 28 -4.785 0.362 13.859
203 HE2 LYS 28 HE2 LYS 28 -7.719 0.065 14.498
204 HE3 LYS 28 HE3 LYS 28 -6.542 0.977 15.441
205 HZ1 LYS 28 HZ1 LYS 28 -6.961 2.716 14.163
206 HZ2 LYS 28 HZ2 LYS 28 -8.022 1.815 13.202
207 HZ3 LYS 28 HZ3 LYS 28 -6.377 1.878 12.814
208 H LYS 29 H LYS 29 -2.391 -4.028 12.654
209 HA LYS 29 HA LYS 29 -3.414 -5.910 10.640
210 HB2 LYS 29 HB2 LYS 29 -0.508 -5.461 11.275
211 HB3 LYS 29 HB3 LYS 29 -1.217 -6.143 9.817
212 HG2 LYS 29 HG2 LYS 29 -1.290 -3.268 10.699
213 HG3 LYS 29 HG3 LYS 29 -0.409 -3.947 9.329
214 HD2 LYS 29 HD2 LYS 29 -3.411 -3.883 9.642
215 HD3 LYS 29 HD3 LYS 29 -2.459 -2.812 8.610
216 HE2 LYS 29 HE2 LYS 29 -1.684 -4.751 7.327
217 HE3 LYS 29 HE3 LYS 29 -2.643 -5.814 8.356
218 HZ1 LYS 29 HZ1 LYS 29 -3.800 -5.347 6.305
219 HZ2 LYS 29 HZ2 LYS 29 -3.703 -3.681 6.581
220 HZ3 LYS 29 HZ3 LYS 29 -4.639 -4.653 7.601
221 H ARG 30 H ARG 30 -2.095 -5.648 13.824
222 HA ARG 30 HA ARG 30 -2.837 -8.259 14.550
223 HB2 ARG 30 HB2 ARG 30 -0.549 -9.190 14.958
224 HB3 ARG 30 HB3 ARG 30 -0.980 -9.045 13.259
225 HG2 ARG 30 HG2 ARG 30 0.255 -6.642 13.824
226 HG3 ARG 30 HG3 ARG 30 1.192 -7.826 14.736
227 HD2 ARG 30 HD2 ARG 30 0.637 -7.763 11.782
228 HD3 ARG 30 HD3 ARG 30 2.197 -7.686 12.599
229 HE ARG 30 HE ARG 30 1.208 -10.091 13.355
230 HH11 ARG 30 HH11 ARG 30 1.690 -8.548 10.272
231 HH12 ARG 30 HH12 ARG 30 1.958 -10.034 9.423
232 HH21 ARG 30 HH21 ARG 30 1.557 -12.056 12.249
233 HH22 ARG 30 HH22 ARG 30 1.881 -12.029 10.548
234 H ALA 31 H ALA 31 -1.331 -8.847 16.672
235 HA ALA 31 HA ALA 31 -1.433 -6.399 18.314
236 HB1 ALA 31 HB1 ALA 31 -2.904 -7.509 19.559
237 HB2 ALA 31 HB2 ALA 31 -2.604 -9.015 18.692
238 HB3 ALA 31 HB3 ALA 31 -1.578 -8.562 20.053
239 H ILE 32 H ILE 32 0.696 -5.782 18.185
240 HA ILE 32 HA ILE 32 2.613 -7.587 19.490
241 HB ILE 32 HB ILE 32 4.384 -6.604 17.958
242 HG12 ILE 32 HG12 ILE 32 2.409 -6.198 15.827
243 HG13 ILE 32 HG13 ILE 32 2.319 -4.994 17.109
244 HG21 ILE 32 HG21 ILE 32 2.288 -8.564 17.158
245 HG22 ILE 32 HG22 ILE 32 3.536 -8.121 15.995
246 HG23 ILE 32 HG23 ILE 32 3.989 -8.826 17.546
247 HD11 ILE 32 HD11 ILE 32 4.066 -3.940 16.268
248 HD12 ILE 32 HD12 ILE 32 5.049 -5.398 16.401
249 HD13 ILE 32 HD13 ILE 32 4.103 -5.102 14.943
250 H LYS 33 H LYS 33 2.809 -6.570 21.406
251 HA LYS 33 HA LYS 33 2.970 -3.685 21.568
252 HB2 LYS 33 HB2 LYS 33 3.248 -4.128 24.022
253 HB3 LYS 33 HB3 LYS 33 1.766 -4.771 23.326
254 HG2 LYS 33 HG2 LYS 33 2.278 -6.820 23.991
255 HG3 LYS 33 HG3 LYS 33 3.850 -6.740 23.193
256 HD2 LYS 33 HD2 LYS 33 4.931 -6.293 25.112
257 HD3 LYS 33 HD3 LYS 33 3.676 -5.185 25.671
258 HE2 LYS 33 HE2 LYS 33 2.294 -7.357 26.032
259 HE3 LYS 33 HE3 LYS 33 3.866 -8.155 25.985
260 HZ1 LYS 33 HZ1 LYS 33 4.251 -7.524 28.058
261 HZ2 LYS 33 HZ2 LYS 33 2.686 -6.889 28.145
262 HZ3 LYS 33 HZ3 LYS 33 3.976 -5.898 27.681
263 H ASN 34 H ASN 34 4.830 -2.828 20.854
264 HA ASN 34 HA ASN 34 7.337 -3.923 21.951
265 HB2 ASN 34 HB2 ASN 34 6.866 -2.711 19.220
266 HB3 ASN 34 HB3 ASN 34 8.453 -3.109 19.870
267 HD21 ASN 34 HD21 ASN 34 9.094 -5.231 19.993
268 HD22 ASN 34 HD22 ASN 34 8.227 -6.518 19.233
269 H GLU 35 H GLU 35 7.736 -2.543 23.594
270 HA GLU 35 HA GLU 35 7.206 0.265 23.431
271 HB2 GLU 35 HB2 GLU 35 7.676 -1.550 25.482
272 HB3 GLU 35 HB3 GLU 35 9.097 -0.515 25.504
273 HG2 GLU 35 HG2 GLU 35 6.229 0.227 25.917
274 HG3 GLU 35 HG3 GLU 35 7.609 0.499 26.979
275 H GLN 36 H GLN 36 10.110 -1.751 23.257
276 HA GLN 36 HA GLN 36 11.914 0.445 23.012
277 HB2 GLN 36 HB2 GLN 36 12.840 -1.565 23.840
278 HB3 GLN 36 HB3 GLN 36 12.164 -2.515 22.523
279 HG2 GLN 36 HG2 GLN 36 13.922 -2.148 21.214
280 HG3 GLN 36 HG3 GLN 36 13.955 -0.427 21.592
281 HE21 GLN 36 HE21 GLN 36 14.551 -3.496 23.279
282 HE22 GLN 36 HE22 GLN 36 16.032 -2.999 24.018
283 H LEU 37 H LEU 37 10.565 -1.879 20.681
284 HA LEU 37 HA LEU 37 11.822 -0.843 18.401
285 HB2 LEU 37 HB2 LEU 37 10.467 -3.025 18.758
286 HB3 LEU 37 HB3 LEU 37 9.078 -2.035 18.312
287 HG LEU 37 HG LEU 37 10.482 -1.479 16.195
288 HD11 LEU 37 HD11 LEU 37 12.566 -2.384 16.562
289 HD12 LEU 37 HD12 LEU 37 11.792 -3.654 15.618
290 HD13 LEU 37 HD13 LEU 37 11.924 -3.815 17.368
291 HD21 LEU 37 HD21 LEU 37 8.484 -2.614 15.864
292 HD22 LEU 37 HD22 LEU 37 9.008 -4.015 16.800
293 HD23 LEU 37 HD23 LEU 37 9.682 -3.722 15.196
294 H LEU 38 H LEU 38 8.782 0.005 19.975
295 HA LEU 38 HA LEU 38 7.797 1.732 17.986
296 HB2 LEU 38 HB2 LEU 38 6.365 0.916 19.734
297 HB3 LEU 38 HB3 LEU 38 7.360 1.692 20.966
298 HG LEU 38 HG LEU 38 5.093 2.752 20.293
299 HD11 LEU 38 HD11 LEU 38 6.966 4.938 20.160
300 HD12 LEU 38 HD12 LEU 38 7.468 3.742 21.355
301 HD13 LEU 38 HD13 LEU 38 5.867 4.474 21.459
302 HD21 LEU 38 HD21 LEU 38 4.909 3.896 18.346
303 HD22 LEU 38 HD22 LEU 38 6.046 2.663 17.799
304 HD23 LEU 38 HD23 LEU 38 6.634 4.260 18.267
305 H GLN 39 H GLN 39 9.738 2.384 20.890
306 HA GLN 39 HA GLN 39 9.903 5.170 20.548
307 HB2 GLN 39 HB2 GLN 39 10.932 3.226 22.347
308 HB3 GLN 39 HB3 GLN 39 12.288 4.194 21.782
309 HG2 GLN 39 HG2 GLN 39 9.928 5.751 22.534
310 HG3 GLN 39 HG3 GLN 39 10.658 4.839 23.856
311 HE21 GLN 39 HE21 GLN 39 11.075 7.405 21.564
312 HE22 GLN 39 HE22 GLN 39 12.504 8.078 22.264
313 H LEU 40 H LEU 40 12.213 2.603 19.675
314 HA LEU 40 HA LEU 40 14.104 4.277 18.455
315 HB2 LEU 40 HB2 LEU 40 13.992 1.646 19.065
316 HB3 LEU 40 HB3 LEU 40 13.773 1.580 17.318
317 HG LEU 40 HG LEU 40 16.126 2.735 18.810
318 HD11 LEU 40 HD11 LEU 40 15.833 0.346 16.994
319 HD12 LEU 40 HD12 LEU 40 16.139 0.320 18.730
320 HD13 LEU 40 HD13 LEU 40 17.360 0.960 17.630
321 HD21 LEU 40 HD21 LEU 40 15.225 3.011 15.996
322 HD22 LEU 40 HD22 LEU 40 16.947 2.760 16.287
323 HD23 LEU 40 HD23 LEU 40 16.121 4.136 17.017
324 H ILE 41 H ILE 41 11.512 2.320 16.992
325 HA ILE 41 HA ILE 41 11.941 3.139 14.344
326 HB ILE 41 HB ILE 41 9.452 2.139 15.720
327 HG12 ILE 41 HG12 ILE 41 11.364 0.570 15.495
328 HG13 ILE 41 HG13 ILE 41 9.954 0.056 14.576
329 HG21 ILE 41 HG21 ILE 41 9.904 2.791 12.816
330 HG22 ILE 41 HG22 ILE 41 8.610 1.737 13.384
331 HG23 ILE 41 HG23 ILE 41 8.657 3.426 13.889
332 HD11 ILE 41 HD11 ILE 41 11.094 0.072 12.678
333 HD12 ILE 41 HD12 ILE 41 11.719 1.693 12.984
334 HD13 ILE 41 HD13 ILE 41 12.548 0.287 13.652
335 H PHE 42 H PHE 42 10.110 4.584 16.964
336 HA PHE 42 HA PHE 42 8.598 6.427 15.505
337 HB2 PHE 42 HB2 PHE 42 8.066 6.103 17.804
338 HB3 PHE 42 HB3 PHE 42 9.702 6.511 18.312
339 HD1 PHE 42 HD1 PHE 42 6.806 8.012 16.507
340 HD2 PHE 42 HD2 PHE 42 10.102 8.621 19.129
341 HE1 PHE 42 HE1 PHE 42 6.115 10.352 16.827
342 HE2 PHE 42 HE2 PHE 42 9.416 10.962 19.454
343 HZ PHE 42 HZ PHE 42 7.420 11.830 18.303
344 H LYS 43 H LYS 43 11.780 6.839 17.049
345 HA LYS 43 HA LYS 43 12.160 9.472 16.023
346 HB2 LYS 43 HB2 LYS 43 13.344 7.985 17.991
347 HB3 LYS 43 HB3 LYS 43 14.574 7.948 16.733
348 HG2 LYS 43 HG2 LYS 43 13.955 10.572 16.726
349 HG3 LYS 43 HG3 LYS 43 13.652 10.174 18.418
350 HD2 LYS 43 HD2 LYS 43 15.840 9.785 18.855
351 HD3 LYS 43 HD3 LYS 43 16.148 9.106 17.256
352 HE2 LYS 43 HE2 LYS 43 15.724 12.041 17.791
353 HE3 LYS 43 HE3 LYS 43 17.309 11.274 17.716
354 HZ1 LYS 43 HZ1 LYS 43 17.257 11.260 15.505
355 HZ2 LYS 43 HZ2 LYS 43 15.945 12.322 15.610
356 HZ3 LYS 43 HZ3 LYS 43 15.676 10.660 15.445
357 H SER 44 H SER 44 12.878 6.261 14.882
358 HA SER 44 HA SER 44 14.786 6.993 12.910
359 HB2 SER 44 HB2 SER 44 13.244 4.568 13.615
360 HB3 SER 44 HB3 SER 44 13.750 4.687 11.929
361 HG SER 44 HG SER 44 15.649 5.274 13.880
362 H ILE 45 H ILE 45 11.311 6.245 12.715
363 HA ILE 45 HA ILE 45 11.074 6.819 9.954
364 HB ILE 45 HB ILE 45 8.960 6.802 12.111
365 HG12 ILE 45 HG12 ILE 45 9.757 4.716 10.069
366 HG13 ILE 45 HG13 ILE 45 10.098 4.646 11.794
367 HG21 ILE 45 HG21 ILE 45 8.827 7.687 9.400
368 HG22 ILE 45 HG22 ILE 45 7.862 6.224 9.581
369 HG23 ILE 45 HG23 ILE 45 7.546 7.621 10.611
370 HD11 ILE 45 HD11 ILE 45 7.415 4.500 10.453
371 HD12 ILE 45 HD12 ILE 45 8.244 3.233 11.357
372 HD13 ILE 45 HD13 ILE 45 7.637 4.660 12.195
373 H ASP 46 H ASP 46 10.567 8.753 12.868
374 HA ASP 46 HA ASP 46 9.599 11.046 11.460
375 HB2 ASP 46 HB2 ASP 46 9.373 10.329 14.003
376 HB3 ASP 46 HB3 ASP 46 10.840 11.291 14.165
377 H ALA 47 H ALA 47 10.755 12.433 10.311
378 HA ALA 47 HA ALA 47 13.559 12.297 10.072
379 HB1 ALA 47 HB1 ALA 47 11.953 13.153 8.344
380 HB2 ALA 47 HB2 ALA 47 11.838 14.640 9.287
381 HB3 ALA 47 HB3 ALA 47 13.385 14.152 8.595
382 H ASP 48 H ASP 48 11.439 14.516 11.841
383 HA ASP 48 HA ASP 48 13.819 15.710 13.094
384 HB2 ASP 48 HB2 ASP 48 12.310 17.579 13.729
385 HB3 ASP 48 HB3 ASP 48 12.428 17.355 11.986
386 H GLY 49 H GLY 49 11.160 13.662 13.641
387 HA2 GLY 49 HA2 GLY 49 10.373 12.602 15.518
388 HA3 GLY 49 HA3 GLY 49 11.935 12.966 16.235
389 H ASN 50 H ASN 50 9.670 15.404 15.119
390 HA ASN 50 HA ASN 50 9.641 16.577 17.767
391 HB2 ASN 50 HB2 ASN 50 8.400 18.422 16.675
392 HB3 ASN 50 HB3 ASN 50 9.913 18.053 15.850
393 HD21 ASN 50 HD21 ASN 50 7.943 19.458 14.591
394 HD22 ASN 50 HD22 ASN 50 7.251 18.497 13.333
395 H GLY 51 H GLY 51 8.460 14.844 18.809
396 HA2 GLY 51 HA2 GLY 51 6.529 14.093 19.808
397 HA3 GLY 51 HA3 GLY 51 5.684 15.416 19.018
398 H GLU 52 H GLU 52 6.096 14.811 16.356
399 HA GLU 52 HA GLU 52 5.272 12.071 15.898
400 HB2 GLU 52 HB2 GLU 52 3.233 12.906 14.591
401 HB3 GLU 52 HB3 GLU 52 3.114 12.878 16.345
402 HG2 GLU 52 HG2 GLU 52 2.183 14.918 15.260
403 HG3 GLU 52 HG3 GLU 52 3.407 15.226 16.491
404 H ILE 53 H ILE 53 4.955 11.647 13.533
405 HA ILE 53 HA ILE 53 6.988 13.121 12.041
406 HB ILE 53 HB ILE 53 5.581 10.665 11.040
407 HG12 ILE 53 HG12 ILE 53 7.990 9.818 12.160
408 HG13 ILE 53 HG13 ILE 53 7.296 10.883 13.378
409 HG21 ILE 53 HG21 ILE 53 8.032 10.380 10.158
410 HG22 ILE 53 HG22 ILE 53 6.906 11.468 9.347
411 HG23 ILE 53 HG23 ILE 53 8.116 12.116 10.454
412 HD11 ILE 53 HD11 ILE 53 6.051 9.184 14.046
413 HD12 ILE 53 HD12 ILE 53 5.195 9.262 12.504
414 HD13 ILE 53 HD13 ILE 53 6.588 8.195 12.688
415 H ASP 54 H ASP 54 6.473 14.588 10.567
416 HA ASP 54 HA ASP 54 3.736 15.081 9.864
417 HB2 ASP 54 HB2 ASP 54 6.093 16.374 8.518
418 HB3 ASP 54 HB3 ASP 54 4.499 17.050 8.841
419 H GLN 55 H GLN 55 2.965 15.252 7.643
420 HA GLN 55 HA GLN 55 3.214 12.904 6.204
421 HB2 GLN 55 HB2 GLN 55 2.135 14.138 4.333
422 HB3 GLN 55 HB3 GLN 55 1.321 14.357 5.875
423 HG2 GLN 55 HG2 GLN 55 1.344 16.517 5.295
424 HG3 GLN 55 HG3 GLN 55 2.995 16.466 5.913
425 HE21 GLN 55 HE21 GLN 55 3.927 17.945 4.615
426 HE22 GLN 55 HE22 GLN 55 4.044 17.802 2.898
427 H ASN 56 H ASN 56 4.871 15.996 5.701
428 HA ASN 56 HA ASN 56 6.218 15.353 3.343
429 HB2 ASN 56 HB2 ASN 56 6.083 17.559 4.933
430 HB3 ASN 56 HB3 ASN 56 7.722 17.010 5.269
431 HD21 ASN 56 HD21 ASN 56 9.277 17.440 3.844
432 HD22 ASN 56 HD22 ASN 56 9.029 18.136 2.282
433 H GLU 57 H GLU 57 7.303 15.026 6.719
434 HA GLU 57 HA GLU 57 9.817 13.924 6.162
435 HB2 GLU 57 HB2 GLU 57 8.097 13.378 8.585
436 HB3 GLU 57 HB3 GLU 57 9.841 13.194 8.475
437 HG2 GLU 57 HG2 GLU 57 10.215 15.478 8.481
438 HG3 GLU 57 HG3 GLU 57 8.569 15.849 7.970
439 H PHE 58 H PHE 58 6.684 12.375 6.737
440 HA PHE 58 HA PHE 58 7.609 9.715 6.661
441 HB2 PHE 58 HB2 PHE 58 5.311 10.680 7.420
442 HB3 PHE 58 HB3 PHE 58 4.862 10.488 5.728
443 HD1 PHE 58 HD1 PHE 58 4.693 8.273 4.729
444 HD2 PHE 58 HD2 PHE 58 5.629 8.781 8.850
445 HE1 PHE 58 HE1 PHE 58 4.170 5.904 5.136
446 HE2 PHE 58 HE2 PHE 58 5.108 6.413 9.264
447 HZ PHE 58 HZ PHE 58 4.378 4.970 7.405
448 H ALA 59 H ALA 59 6.421 11.887 4.141
449 HA ALA 59 HA ALA 59 6.307 10.035 2.039
450 HB1 ALA 59 HB1 ALA 59 5.294 11.923 1.347
451 HB2 ALA 59 HB2 ALA 59 6.360 12.967 2.285
452 HB3 ALA 59 HB3 ALA 59 6.900 12.321 0.736
453 H LYS 60 H LYS 60 8.914 12.292 2.942
454 HA LYS 60 HA LYS 60 10.736 11.393 0.978
455 HB2 LYS 60 HB2 LYS 60 11.324 12.738 3.622
456 HB3 LYS 60 HB3 LYS 60 12.426 12.619 2.257
457 HG2 LYS 60 HG2 LYS 60 9.773 13.892 1.830
458 HG3 LYS 60 HG3 LYS 60 11.019 14.792 2.697
459 HD2 LYS 60 HD2 LYS 60 11.550 13.478 0.046
460 HD3 LYS 60 HD3 LYS 60 10.894 15.113 0.168
461 HE2 LYS 60 HE2 LYS 60 13.461 14.199 1.459
462 HE3 LYS 60 HE3 LYS 60 13.368 15.030 -0.093
463 HZ1 LYS 60 HZ1 LYS 60 12.350 16.917 1.019
464 HZ2 LYS 60 HZ2 LYS 60 13.858 16.567 1.701
465 HZ3 LYS 60 HZ3 LYS 60 12.439 16.121 2.509
466 H PHE 61 H PHE 61 9.846 10.182 4.090
467 HA PHE 61 HA PHE 61 12.206 8.564 4.432
468 HB2 PHE 61 HB2 PHE 61 11.289 9.126 6.487
469 HB3 PHE 61 HB3 PHE 61 9.635 8.924 5.921
470 HD1 PHE 61 HD1 PHE 61 12.649 6.723 6.076
471 HD2 PHE 61 HD2 PHE 61 8.537 7.257 7.037
472 HE1 PHE 61 HE1 PHE 61 12.591 4.471 7.067
473 HE2 PHE 61 HE2 PHE 61 8.473 5.007 8.030
474 HZ PHE 61 HZ PHE 61 10.502 3.611 8.046
475 H TYR 62 H TYR 62 8.933 8.131 3.238
476 HA TYR 62 HA TYR 62 8.894 5.327 3.129
477 HB2 TYR 62 HB2 TYR 62 6.841 6.534 2.874
478 HB3 TYR 62 HB3 TYR 62 7.459 7.408 1.477
479 HD1 TYR 62 HD2 TYR 62 7.587 6.337 -0.705
480 HD2 TYR 62 HD1 TYR 62 6.070 4.241 2.672
481 HE1 TYR 62 HE2 TYR 62 6.643 4.626 -2.198
482 HE2 TYR 62 HE1 TYR 62 5.123 2.523 1.189
483 HH TYR 62 HH TYR 62 5.999 1.931 -1.732
484 H GLY 63 H GLY 63 10.139 3.996 2.003
485 HA2 GLY 63 HA2 GLY 63 11.130 3.071 0.111
486 HA3 GLY 63 HA3 GLY 63 10.731 4.534 -0.780
487 H SER 64 H SER 64 12.178 5.450 2.051
488 HA SER 64 HA SER 64 14.698 5.946 0.666
489 HB2 SER 64 HB2 SER 64 13.591 7.853 1.751
490 HB3 SER 64 HB3 SER 64 13.664 7.019 3.303
491 HG SER 64 HG SER 64 15.450 8.206 3.371
492 H ILE 65 H ILE 65 13.927 3.296 1.771
493 HA ILE 65 HA ILE 65 15.816 2.935 3.963
494 HB ILE 65 HB ILE 65 13.526 1.825 3.901
495 HG12 ILE 65 HG12 ILE 65 15.734 -0.196 4.166
496 HG13 ILE 65 HG13 ILE 65 15.628 1.166 5.276
497 HG21 ILE 65 HG21 ILE 65 14.823 -0.225 2.146
498 HG22 ILE 65 HG22 ILE 65 13.117 -0.009 2.535
499 HG23 ILE 65 HG23 ILE 65 13.924 1.124 1.452
500 HD11 ILE 65 HD11 ILE 65 14.500 -0.477 6.412
501 HD12 ILE 65 HD12 ILE 65 13.181 0.364 5.599
502 HD13 ILE 65 HD13 ILE 65 13.792 -1.156 4.946
503 H GLN 66 H GLN 66 16.438 3.445 0.981
504 HA GLN 66 HA GLN 66 17.593 1.227 -0.201
505 HB2 GLN 66 HB2 GLN 66 18.803 2.718 -1.579
506 HB3 GLN 66 HB3 GLN 66 17.310 3.556 -1.175
507 HG2 GLN 66 HG2 GLN 66 18.727 4.578 0.752
508 HG3 GLN 66 HG3 GLN 66 20.093 4.094 -0.253
509 HE21 GLN 66 HE21 GLN 66 17.034 5.865 -0.371
510 HE22 GLN 66 HE22 GLN 66 17.561 7.047 -1.517
Start of MODEL 5
1 H1 MET 1 H MET 1 0.249 4.262 -4.276
2 HA MET 1 HA MET 1 -1.063 4.170 -1.927
3 HB2 MET 1 HB2 MET 1 -1.085 1.512 -3.197
4 HB3 MET 1 HB3 MET 1 -0.560 1.521 -1.518
5 HG2 MET 1 HG2 MET 1 -2.661 1.623 -0.856
6 HG3 MET 1 HG3 MET 1 -2.859 3.155 -1.703
7 HE1 MET 1 HE1 MET 1 -5.033 3.085 -3.874
8 HE2 MET 1 HE2 MET 1 -5.998 1.951 -2.929
9 HE3 MET 1 HE3 MET 1 -4.981 3.139 -2.111
10 H ALA 2 H ALA 2 0.879 5.412 -1.678
11 HA ALA 2 HA ALA 2 3.173 3.752 -0.872
12 HB1 ALA 2 HB1 ALA 2 4.133 4.644 -2.729
13 HB2 ALA 2 HB2 ALA 2 3.111 6.082 -2.705
14 HB3 ALA 2 HB3 ALA 2 4.476 5.952 -1.596
15 H GLU 3 H GLU 3 2.394 7.228 -0.758
16 HA GLU 3 HA GLU 3 3.039 7.196 2.104
17 HB2 GLU 3 HB2 GLU 3 3.311 9.622 1.894
18 HB3 GLU 3 HB3 GLU 3 4.331 8.763 0.749
19 HG2 GLU 3 HG2 GLU 3 3.326 9.680 -1.016
20 HG3 GLU 3 HG3 GLU 3 1.717 9.468 -0.330
21 H ALA 4 H ALA 4 0.452 7.604 -0.120
22 HA ALA 4 HA ALA 4 -1.323 9.238 1.221
23 HB1 ALA 4 HB1 ALA 4 -1.871 6.785 -0.441
24 HB2 ALA 4 HB2 ALA 4 -3.115 7.918 0.092
25 HB3 ALA 4 HB3 ALA 4 -1.829 8.464 -0.983
26 H LEU 5 H LEU 5 -0.328 5.998 1.984
27 HA LEU 5 HA LEU 5 -2.460 5.201 3.619
28 HB2 LEU 5 HB2 LEU 5 0.371 4.457 4.230
29 HB3 LEU 5 HB3 LEU 5 -1.089 3.480 4.367
30 HG LEU 5 HG LEU 5 0.401 4.211 1.850
31 HD11 LEU 5 HD11 LEU 5 -0.012 1.487 1.963
32 HD12 LEU 5 HD12 LEU 5 0.350 1.919 3.634
33 HD13 LEU 5 HD13 LEU 5 1.487 2.332 2.349
34 HD21 LEU 5 HD21 LEU 5 -1.694 4.251 0.978
35 HD22 LEU 5 HD22 LEU 5 -2.376 3.269 2.274
36 HD23 LEU 5 HD23 LEU 5 -1.451 2.504 0.981
37 H PHE 6 H PHE 6 0.440 7.084 4.326
38 HA PHE 6 HA PHE 6 0.155 7.185 7.120
39 HB2 PHE 6 HB2 PHE 6 2.247 7.865 6.323
40 HB3 PHE 6 HB3 PHE 6 1.544 8.930 5.109
41 HD1 PHE 6 HD1 PHE 6 0.495 11.078 5.832
42 HD2 PHE 6 HD2 PHE 6 2.776 8.645 8.476
43 HE1 PHE 6 HE1 PHE 6 0.766 12.992 7.354
44 HE2 PHE 6 HE2 PHE 6 3.050 10.554 10.003
45 HZ PHE 6 HZ PHE 6 2.043 12.731 9.444
46 H LYS 7 H LYS 7 -0.942 9.428 4.592
47 HA LYS 7 HA LYS 7 -2.228 11.200 6.420
48 HB2 LYS 7 HB2 LYS 7 -2.071 10.908 3.464
49 HB3 LYS 7 HB3 LYS 7 -3.422 11.827 4.112
50 HG2 LYS 7 HG2 LYS 7 -0.536 12.388 4.756
51 HG3 LYS 7 HG3 LYS 7 -1.452 13.202 3.485
52 HD2 LYS 7 HD2 LYS 7 -2.182 13.180 6.414
53 HD3 LYS 7 HD3 LYS 7 -1.367 14.504 5.580
54 HE2 LYS 7 HE2 LYS 7 -3.334 15.318 4.949
55 HE3 LYS 7 HE3 LYS 7 -3.679 13.821 4.085
56 HZ1 LYS 7 HZ1 LYS 7 -5.032 13.102 5.702
57 HZ2 LYS 7 HZ2 LYS 7 -5.128 14.734 6.132
58 HZ3 LYS 7 HZ3 LYS 7 -4.065 13.705 6.952
59 H GLU 8 H GLU 8 -3.160 8.301 4.757
60 HA GLU 8 HA GLU 8 -5.971 8.635 4.920
61 HB2 GLU 8 HB2 GLU 8 -4.781 7.008 3.427
62 HB3 GLU 8 HB3 GLU 8 -4.436 6.034 4.850
63 HG2 GLU 8 HG2 GLU 8 -6.914 5.915 5.240
64 HG3 GLU 8 HG3 GLU 8 -7.120 6.656 3.654
65 H ILE 9 H ILE 9 -3.587 7.095 7.032
66 HA ILE 9 HA ILE 9 -5.465 6.068 8.894
67 HB ILE 9 HB ILE 9 -2.530 6.695 9.218
68 HG12 ILE 9 HG12 ILE 9 -3.108 4.945 7.553
69 HG13 ILE 9 HG13 ILE 9 -2.205 4.309 8.923
70 HG21 ILE 9 HG21 ILE 9 -2.718 5.117 11.182
71 HG22 ILE 9 HG22 ILE 9 -3.435 6.713 11.401
72 HG23 ILE 9 HG23 ILE 9 -4.465 5.321 11.064
73 HD11 ILE 9 HD11 ILE 9 -4.032 2.834 8.232
74 HD12 ILE 9 HD12 ILE 9 -4.237 3.420 9.883
75 HD13 ILE 9 HD13 ILE 9 -5.187 4.122 8.573
76 H ASP 10 H ASP 10 -4.063 9.186 8.407
77 HA ASP 10 HA ASP 10 -4.535 10.172 11.057
78 HB2 ASP 10 HB2 ASP 10 -3.722 11.393 8.445
79 HB3 ASP 10 HB3 ASP 10 -4.262 12.439 9.756
80 H VAL 11 H VAL 11 -6.782 9.385 11.175
81 HA VAL 11 HA VAL 11 -8.866 10.347 9.579
82 HB VAL 11 HB VAL 11 -9.079 9.702 12.520
83 HG11 VAL 11 HG11 VAL 11 -11.328 8.767 11.312
84 HG12 VAL 11 HG12 VAL 11 -11.191 10.342 12.098
85 HG13 VAL 11 HG13 VAL 11 -10.989 10.206 10.350
86 HG21 VAL 11 HG21 VAL 11 -8.774 7.935 10.133
87 HG22 VAL 11 HG22 VAL 11 -8.058 7.788 11.737
88 HG23 VAL 11 HG23 VAL 11 -9.760 7.400 11.493
89 H ASN 12 H ASN 12 -7.004 11.907 12.016
90 HA ASN 12 HA ASN 12 -8.949 13.977 12.550
91 HB2 ASN 12 HB2 ASN 12 -6.930 15.020 13.764
92 HB3 ASN 12 HB3 ASN 12 -7.580 13.512 14.402
93 HD21 ASN 12 HD21 ASN 12 -5.552 13.180 15.416
94 HD22 ASN 12 HD22 ASN 12 -4.206 12.577 14.516
95 H GLY 13 H GLY 13 -7.052 13.326 9.966
96 HA2 GLY 13 HA2 GLY 13 -6.182 14.564 8.234
97 HA3 GLY 13 HA3 GLY 13 -7.480 15.687 8.613
98 H ASP 14 H ASP 14 -4.580 14.784 10.457
99 HA ASP 14 HA ASP 14 -3.906 17.642 10.605
100 HB2 ASP 14 HB2 ASP 14 -2.492 16.958 12.561
101 HB3 ASP 14 HB3 ASP 14 -4.216 16.670 12.782
102 H GLY 15 H GLY 15 -2.921 14.681 9.245
103 HA2 GLY 15 HA2 GLY 15 -1.164 14.172 7.849
104 HA3 GLY 15 HA3 GLY 15 -0.757 15.881 7.852
105 H ALA 16 H ALA 16 -0.964 14.341 10.913
106 HA ALA 16 HA ALA 16 1.948 13.952 10.993
107 HB1 ALA 16 HB1 ALA 16 1.427 14.885 13.505
108 HB2 ALA 16 HB2 ALA 16 2.095 15.843 12.183
109 HB3 ALA 16 HB3 ALA 16 0.364 15.885 12.513
110 H VAL 17 H VAL 17 2.612 12.179 12.074
111 HA VAL 17 HA VAL 17 0.597 10.692 13.629
112 HB VAL 17 HB VAL 17 2.638 9.601 11.694
113 HG11 VAL 17 HG11 VAL 17 2.720 7.687 12.814
114 HG12 VAL 17 HG12 VAL 17 1.783 8.432 14.112
115 HG13 VAL 17 HG13 VAL 17 0.960 7.574 12.809
116 HG21 VAL 17 HG21 VAL 17 0.184 10.451 11.118
117 HG22 VAL 17 HG22 VAL 17 0.900 9.044 10.333
118 HG23 VAL 17 HG23 VAL 17 -0.225 8.828 11.673
119 H SER 18 H SER 18 1.173 10.697 15.694
120 HA SER 18 HA SER 18 3.944 11.007 16.475
121 HB2 SER 18 HB2 SER 18 2.444 10.520 18.780
122 HB3 SER 18 HB3 SER 18 2.911 12.098 18.143
123 HG SER 18 HG SER 18 0.685 12.045 18.390
124 H TYR 19 H TYR 19 4.583 9.595 18.486
125 HA TYR 19 HA TYR 19 5.166 7.051 17.633
126 HB2 TYR 19 HB2 TYR 19 5.661 6.518 19.995
127 HB3 TYR 19 HB3 TYR 19 6.310 8.081 19.517
128 HD1 TYR 19 HD1 TYR 19 5.151 10.170 20.262
129 HD2 TYR 19 HD2 TYR 19 4.070 6.330 21.745
130 HE1 TYR 19 HE1 TYR 19 3.994 11.233 22.154
131 HE2 TYR 19 HE2 TYR 19 2.908 7.384 23.641
132 HH TYR 19 HH TYR 19 2.066 9.364 24.415
133 H GLU 20 H GLU 20 2.451 8.065 19.685
134 HA GLU 20 HA GLU 20 1.375 5.519 20.145
135 HB2 GLU 20 HB2 GLU 20 0.368 8.309 20.298
136 HB3 GLU 20 HB3 GLU 20 -0.837 7.029 20.246
137 HG2 GLU 20 HG2 GLU 20 1.269 6.429 22.130
138 HG3 GLU 20 HG3 GLU 20 0.500 7.976 22.480
139 H GLU 21 H GLU 21 0.595 7.922 17.641
140 HA GLU 21 HA GLU 21 -1.429 6.502 16.358
141 HB2 GLU 21 HB2 GLU 21 0.464 8.655 15.544
142 HB3 GLU 21 HB3 GLU 21 -0.439 7.831 14.280
143 HG2 GLU 21 HG2 GLU 21 -2.315 8.443 16.255
144 HG3 GLU 21 HG3 GLU 21 -1.295 9.873 16.108
145 H VAL 22 H VAL 22 2.065 6.294 16.038
146 HA VAL 22 HA VAL 22 2.131 4.671 13.727
147 HB VAL 22 HB VAL 22 4.124 5.006 15.968
148 HG11 VAL 22 HG11 VAL 22 5.004 3.081 15.218
149 HG12 VAL 22 HG12 VAL 22 4.082 3.127 13.715
150 HG13 VAL 22 HG13 VAL 22 5.568 4.063 13.868
151 HG21 VAL 22 HG21 VAL 22 4.261 6.000 13.131
152 HG22 VAL 22 HG22 VAL 22 3.590 6.952 14.455
153 HG23 VAL 22 HG23 VAL 22 5.283 6.458 14.492
154 H LYS 23 H LYS 23 2.507 3.800 17.167
155 HA LYS 23 HA LYS 23 2.651 1.046 16.851
156 HB2 LYS 23 HB2 LYS 23 2.234 2.905 19.023
157 HB3 LYS 23 HB3 LYS 23 1.233 1.475 19.236
158 HG2 LYS 23 HG2 LYS 23 4.142 1.218 18.590
159 HG3 LYS 23 HG3 LYS 23 3.600 1.505 20.244
160 HD2 LYS 23 HD2 LYS 23 2.605 -0.753 18.511
161 HD3 LYS 23 HD3 LYS 23 3.936 -0.906 19.660
162 HE2 LYS 23 HE2 LYS 23 1.542 0.304 20.810
163 HE3 LYS 23 HE3 LYS 23 1.276 -1.331 20.207
164 HZ1 LYS 23 HZ1 LYS 23 1.971 -1.653 22.376
165 HZ2 LYS 23 HZ2 LYS 23 3.130 -0.423 22.313
166 HZ3 LYS 23 HZ3 LYS 23 3.401 -1.881 21.500
167 H ALA 24 H ALA 24 -0.169 3.149 17.052
168 HA ALA 24 HA ALA 24 -2.100 1.076 17.213
169 HB1 ALA 24 HB1 ALA 24 -2.773 3.221 17.931
170 HB2 ALA 24 HB2 ALA 24 -2.279 3.968 16.412
171 HB3 ALA 24 HB3 ALA 24 -3.681 2.900 16.454
172 H PHE 25 H PHE 25 -0.714 2.901 14.516
173 HA PHE 25 HA PHE 25 -2.336 2.058 12.451
174 HB2 PHE 25 HB2 PHE 25 -0.499 3.740 12.269
175 HB3 PHE 25 HB3 PHE 25 0.662 2.418 12.287
176 HD1 PHE 25 HD1 PHE 25 -2.317 1.497 10.615
177 HD2 PHE 25 HD2 PHE 25 1.341 3.612 10.104
178 HE1 PHE 25 HE1 PHE 25 -2.535 1.277 8.174
179 HE2 PHE 25 HE2 PHE 25 1.128 3.396 7.662
180 HZ PHE 25 HZ PHE 25 -0.812 2.229 6.694
181 H VAL 26 H VAL 26 0.638 0.488 13.624
182 HA VAL 26 HA VAL 26 0.412 -1.754 11.893
183 HB VAL 26 HB VAL 26 2.448 -0.809 13.341
184 HG11 VAL 26 HG11 VAL 26 2.933 -2.113 15.264
185 HG12 VAL 26 HG12 VAL 26 1.283 -1.517 15.458
186 HG13 VAL 26 HG13 VAL 26 1.566 -3.187 14.963
187 HG21 VAL 26 HG21 VAL 26 3.555 -2.386 12.223
188 HG22 VAL 26 HG22 VAL 26 2.755 -3.682 13.114
189 HG23 VAL 26 HG23 VAL 26 1.986 -2.987 11.687
190 H SER 27 H SER 27 -0.827 -1.000 15.062
191 HA SER 27 HA SER 27 -1.412 -3.580 15.977
192 HB2 SER 27 HB2 SER 27 -2.085 -0.861 16.720
193 HB3 SER 27 HB3 SER 27 -3.469 -1.933 16.928
194 HG SER 27 HG SER 27 -0.924 -2.683 17.869
195 H LYS 28 H LYS 28 -2.898 -1.645 13.542
196 HA LYS 28 HA LYS 28 -5.443 -2.936 13.541
197 HB2 LYS 28 HB2 LYS 28 -4.027 -0.960 11.865
198 HB3 LYS 28 HB3 LYS 28 -5.222 -1.939 11.025
199 HG2 LYS 28 HG2 LYS 28 -6.099 0.212 11.892
200 HG3 LYS 28 HG3 LYS 28 -6.959 -1.208 12.494
201 HD2 LYS 28 HD2 LYS 28 -4.698 -0.353 14.159
202 HD3 LYS 28 HD3 LYS 28 -6.012 0.820 14.050
203 HE2 LYS 28 HE2 LYS 28 -7.483 -1.338 14.482
204 HE3 LYS 28 HE3 LYS 28 -5.989 -1.914 15.220
205 HZ1 LYS 28 HZ1 LYS 28 -7.768 0.245 16.067
206 HZ2 LYS 28 HZ2 LYS 28 -6.113 0.442 16.355
207 HZ3 LYS 28 HZ3 LYS 28 -6.930 -0.893 16.998
208 H LYS 29 H LYS 29 -2.403 -3.988 12.664
209 HA LYS 29 HA LYS 29 -3.450 -5.857 10.650
210 HB2 LYS 29 HB2 LYS 29 -0.538 -5.442 11.286
211 HB3 LYS 29 HB3 LYS 29 -1.254 -6.110 9.825
212 HG2 LYS 29 HG2 LYS 29 -1.294 -3.238 10.718
213 HG3 LYS 29 HG3 LYS 29 -0.422 -3.922 9.344
214 HD2 LYS 29 HD2 LYS 29 -3.423 -3.831 9.659
215 HD3 LYS 29 HD3 LYS 29 -2.461 -2.760 8.637
216 HE2 LYS 29 HE2 LYS 29 -1.660 -4.769 7.402
217 HE3 LYS 29 HE3 LYS 29 -2.778 -5.745 8.354
218 HZ1 LYS 29 HZ1 LYS 29 -4.364 -3.780 7.400
219 HZ2 LYS 29 HZ2 LYS 29 -4.210 -5.319 6.716
220 HZ3 LYS 29 HZ3 LYS 29 -3.302 -4.028 6.107
221 H ARG 30 H ARG 30 -2.126 -5.621 13.834
222 HA ARG 30 HA ARG 30 -2.901 -8.221 14.556
223 HB2 ARG 30 HB2 ARG 30 -0.622 -9.187 14.951
224 HB3 ARG 30 HB3 ARG 30 -1.065 -9.037 13.256
225 HG2 ARG 30 HG2 ARG 30 0.211 -6.651 13.811
226 HG3 ARG 30 HG3 ARG 30 1.138 -7.851 14.713
227 HD2 ARG 30 HD2 ARG 30 0.556 -7.776 11.764
228 HD3 ARG 30 HD3 ARG 30 2.124 -7.724 12.567
229 HE ARG 30 HE ARG 30 1.155 -10.113 13.337
230 HH11 ARG 30 HH11 ARG 30 1.448 -8.583 10.223
231 HH12 ARG 30 HH12 ARG 30 1.639 -10.075 9.363
232 HH21 ARG 30 HH21 ARG 30 1.406 -12.084 12.215
233 HH22 ARG 30 HH22 ARG 30 1.614 -12.065 10.496
234 H ALA 31 H ALA 31 -1.401 -8.840 16.671
235 HA ALA 31 HA ALA 31 -1.449 -6.395 18.318
236 HB1 ALA 31 HB1 ALA 31 -2.007 -7.832 20.223
237 HB2 ALA 31 HB2 ALA 31 -3.208 -7.955 18.937
238 HB3 ALA 31 HB3 ALA 31 -2.015 -9.237 19.155
239 H ILE 32 H ILE 32 0.692 -5.819 18.179
240 HA ILE 32 HA ILE 32 2.578 -7.664 19.471
241 HB ILE 32 HB ILE 32 3.214 -5.960 17.059
242 HG12 ILE 32 HG12 ILE 32 3.127 -8.974 17.323
243 HG13 ILE 32 HG13 ILE 32 1.863 -8.002 16.578
244 HG21 ILE 32 HG21 ILE 32 5.086 -6.103 18.604
245 HG22 ILE 32 HG22 ILE 32 4.944 -7.859 18.638
246 HG23 ILE 32 HG23 ILE 32 5.413 -7.042 17.148
247 HD11 ILE 32 HD11 ILE 32 3.638 -7.169 14.983
248 HD12 ILE 32 HD12 ILE 32 4.666 -8.455 15.618
249 HD13 ILE 32 HD13 ILE 32 3.148 -8.855 14.814
250 H LYS 33 H LYS 33 2.807 -6.659 21.391
251 HA LYS 33 HA LYS 33 3.001 -3.782 21.577
252 HB2 LYS 33 HB2 LYS 33 3.326 -4.250 24.020
253 HB3 LYS 33 HB3 LYS 33 1.830 -4.886 23.348
254 HG2 LYS 33 HG2 LYS 33 2.352 -6.939 23.986
255 HG3 LYS 33 HG3 LYS 33 3.906 -6.855 23.151
256 HD2 LYS 33 HD2 LYS 33 5.034 -6.427 25.047
257 HD3 LYS 33 HD3 LYS 33 3.795 -5.322 25.647
258 HE2 LYS 33 HE2 LYS 33 2.403 -7.317 26.214
259 HE3 LYS 33 HE3 LYS 33 3.774 -8.334 25.778
260 HZ1 LYS 33 HZ1 LYS 33 4.319 -8.120 27.919
261 HZ2 LYS 33 HZ2 LYS 33 3.333 -6.767 28.156
262 HZ3 LYS 33 HZ3 LYS 33 4.880 -6.580 27.496
263 H ASN 34 H ASN 34 4.849 -2.918 20.845
264 HA ASN 34 HA ASN 34 7.374 -4.043 21.864
265 HB2 ASN 34 HB2 ASN 34 6.845 -2.776 19.169
266 HB3 ASN 34 HB3 ASN 34 8.446 -3.186 19.775
267 HD21 ASN 34 HD21 ASN 34 7.276 -4.185 17.407
268 HD22 ASN 34 HD22 ASN 34 7.094 -5.894 17.588
269 H GLU 35 H GLU 35 7.823 -2.700 23.524
270 HA GLU 35 HA GLU 35 7.297 0.111 23.437
271 HB2 GLU 35 HB2 GLU 35 7.831 -1.755 25.432
272 HB3 GLU 35 HB3 GLU 35 9.242 -0.706 25.439
273 HG2 GLU 35 HG2 GLU 35 6.629 0.650 25.339
274 HG3 GLU 35 HG3 GLU 35 7.002 -0.214 26.831
275 H GLN 36 H GLN 36 10.191 -1.905 23.138
276 HA GLN 36 HA GLN 36 11.993 0.291 22.895
277 HB2 GLN 36 HB2 GLN 36 12.325 -2.340 23.405
278 HB3 GLN 36 HB3 GLN 36 12.744 -2.309 21.697
279 HG2 GLN 36 HG2 GLN 36 14.099 -0.148 22.805
280 HG3 GLN 36 HG3 GLN 36 14.268 -1.448 23.982
281 HE21 GLN 36 HE21 GLN 36 14.460 -3.666 22.526
282 HE22 GLN 36 HE22 GLN 36 15.832 -3.613 21.479
283 H LEU 37 H LEU 37 10.566 -1.967 20.545
284 HA LEU 37 HA LEU 37 11.761 -0.877 18.257
285 HB2 LEU 37 HB2 LEU 37 10.418 -3.066 18.592
286 HB3 LEU 37 HB3 LEU 37 9.014 -2.067 18.223
287 HG LEU 37 HG LEU 37 10.340 -1.447 16.076
288 HD11 LEU 37 HD11 LEU 37 12.083 -3.373 17.292
289 HD12 LEU 37 HD12 LEU 37 12.320 -2.412 15.833
290 HD13 LEU 37 HD13 LEU 37 11.505 -3.973 15.737
291 HD21 LEU 37 HD21 LEU 37 9.420 -3.462 14.944
292 HD22 LEU 37 HD22 LEU 37 8.267 -2.651 16.005
293 HD23 LEU 37 HD23 LEU 37 9.059 -4.137 16.532
294 H LEU 38 H LEU 38 8.782 -0.055 19.950
295 HA LEU 38 HA LEU 38 7.729 1.714 18.035
296 HB2 LEU 38 HB2 LEU 38 6.349 0.885 19.807
297 HB3 LEU 38 HB3 LEU 38 7.406 1.594 21.026
298 HG LEU 38 HG LEU 38 5.140 2.724 20.492
299 HD11 LEU 38 HD11 LEU 38 5.999 4.401 21.666
300 HD12 LEU 38 HD12 LEU 38 7.064 4.871 20.342
301 HD13 LEU 38 HD13 LEU 38 7.574 3.628 21.485
302 HD21 LEU 38 HD21 LEU 38 6.605 4.285 18.455
303 HD22 LEU 38 HD22 LEU 38 4.885 3.919 18.588
304 HD23 LEU 38 HD23 LEU 38 5.998 2.707 17.954
305 H GLN 39 H GLN 39 9.778 2.308 20.877
306 HA GLN 39 HA GLN 39 9.944 5.099 20.578
307 HB2 GLN 39 HB2 GLN 39 10.789 3.321 22.455
308 HB3 GLN 39 HB3 GLN 39 12.315 3.744 21.691
309 HG2 GLN 39 HG2 GLN 39 10.356 5.613 22.998
310 HG3 GLN 39 HG3 GLN 39 11.969 5.181 23.565
311 HE21 GLN 39 HE21 GLN 39 13.773 5.772 22.127
312 HE22 GLN 39 HE22 GLN 39 13.662 7.255 21.246
313 H LEU 40 H LEU 40 12.207 2.538 19.571
314 HA LEU 40 HA LEU 40 14.058 4.226 18.310
315 HB2 LEU 40 HB2 LEU 40 13.954 1.584 18.878
316 HB3 LEU 40 HB3 LEU 40 13.676 1.552 17.137
317 HG LEU 40 HG LEU 40 16.082 2.673 18.570
318 HD11 LEU 40 HD11 LEU 40 16.465 0.418 18.508
319 HD12 LEU 40 HD12 LEU 40 17.110 0.891 16.937
320 HD13 LEU 40 HD13 LEU 40 15.500 0.180 17.051
321 HD21 LEU 40 HD21 LEU 40 15.022 3.142 15.879
322 HD22 LEU 40 HD22 LEU 40 16.709 2.631 15.921
323 HD23 LEU 40 HD23 LEU 40 16.198 4.065 16.815
324 H ILE 41 H ILE 41 11.402 2.307 16.914
325 HA ILE 41 HA ILE 41 11.736 3.171 14.266
326 HB ILE 41 HB ILE 41 9.297 2.148 15.714
327 HG12 ILE 41 HG12 ILE 41 11.194 0.580 15.396
328 HG13 ILE 41 HG13 ILE 41 9.754 0.087 14.512
329 HG21 ILE 41 HG21 ILE 41 8.446 3.475 13.935
330 HG22 ILE 41 HG22 ILE 41 9.644 2.844 12.806
331 HG23 ILE 41 HG23 ILE 41 8.363 1.794 13.410
332 HD11 ILE 41 HD11 ILE 41 11.724 -0.246 13.164
333 HD12 ILE 41 HD12 ILE 41 10.722 1.024 12.461
334 HD13 ILE 41 HD13 ILE 41 12.178 1.446 13.362
335 H PHE 42 H PHE 42 10.059 4.593 16.990
336 HA PHE 42 HA PHE 42 8.478 6.458 15.620
337 HB2 PHE 42 HB2 PHE 42 8.032 6.091 17.929
338 HB3 PHE 42 HB3 PHE 42 9.687 6.485 18.384
339 HD1 PHE 42 HD1 PHE 42 6.878 8.103 16.527
340 HD2 PHE 42 HD2 PHE 42 9.979 8.504 19.415
341 HE1 PHE 42 HE1 PHE 42 6.209 10.439 16.918
342 HE2 PHE 42 HE2 PHE 42 9.315 10.839 19.811
343 HZ PHE 42 HZ PHE 42 7.427 11.809 18.562
344 H LYS 43 H LYS 43 11.717 6.830 17.051
345 HA LYS 43 HA LYS 43 12.070 9.482 16.061
346 HB2 LYS 43 HB2 LYS 43 13.325 7.941 17.948
347 HB3 LYS 43 HB3 LYS 43 14.505 7.946 16.645
348 HG2 LYS 43 HG2 LYS 43 14.265 10.467 16.625
349 HG3 LYS 43 HG3 LYS 43 13.388 10.292 18.147
350 HD2 LYS 43 HD2 LYS 43 15.350 10.296 19.197
351 HD3 LYS 43 HD3 LYS 43 15.701 8.744 18.433
352 HE2 LYS 43 HE2 LYS 43 17.114 9.658 16.925
353 HE3 LYS 43 HE3 LYS 43 16.154 11.127 16.759
354 HZ1 LYS 43 HZ1 LYS 43 18.196 10.478 18.785
355 HZ2 LYS 43 HZ2 LYS 43 17.018 11.650 19.099
356 HZ3 LYS 43 HZ3 LYS 43 18.079 11.845 17.796
357 H SER 44 H SER 44 12.753 6.288 14.841
358 HA SER 44 HA SER 44 14.568 7.073 12.799
359 HB2 SER 44 HB2 SER 44 12.965 4.607 13.376
360 HB3 SER 44 HB3 SER 44 13.748 4.784 11.805
361 HG SER 44 HG SER 44 15.706 4.789 12.766
362 H ILE 45 H ILE 45 11.098 6.283 12.762
363 HA ILE 45 HA ILE 45 10.716 6.847 10.019
364 HB ILE 45 HB ILE 45 8.750 6.790 12.308
365 HG12 ILE 45 HG12 ILE 45 9.398 4.813 10.111
366 HG13 ILE 45 HG13 ILE 45 9.791 4.637 11.818
367 HG21 ILE 45 HG21 ILE 45 7.848 8.213 10.588
368 HG22 ILE 45 HG22 ILE 45 8.237 7.022 9.348
369 HG23 ILE 45 HG23 ILE 45 7.004 6.664 10.557
370 HD11 ILE 45 HD11 ILE 45 7.896 3.281 11.335
371 HD12 ILE 45 HD12 ILE 45 7.353 4.651 12.306
372 HD13 ILE 45 HD13 ILE 45 7.059 4.629 10.567
373 H ASP 46 H ASP 46 10.635 8.830 12.903
374 HA ASP 46 HA ASP 46 9.532 11.117 11.518
375 HB2 ASP 46 HB2 ASP 46 9.350 10.419 14.071
376 HB3 ASP 46 HB3 ASP 46 10.831 11.364 14.193
377 H ALA 47 H ALA 47 10.688 12.468 10.328
378 HA ALA 47 HA ALA 47 13.490 12.290 10.056
379 HB1 ALA 47 HB1 ALA 47 11.842 14.666 9.240
380 HB2 ALA 47 HB2 ALA 47 13.321 14.050 8.501
381 HB3 ALA 47 HB3 ALA 47 11.815 13.143 8.352
382 H ASP 48 H ASP 48 11.409 14.550 11.810
383 HA ASP 48 HA ASP 48 13.812 15.768 12.997
384 HB2 ASP 48 HB2 ASP 48 12.314 17.650 13.623
385 HB3 ASP 48 HB3 ASP 48 12.402 17.391 11.882
386 H GLY 49 H GLY 49 11.178 13.719 13.630
387 HA2 GLY 49 HA2 GLY 49 10.432 12.690 15.541
388 HA3 GLY 49 HA3 GLY 49 11.996 13.095 16.231
389 H ASN 50 H ASN 50 9.676 15.465 15.083
390 HA ASN 50 HA ASN 50 9.656 16.696 17.707
391 HB2 ASN 50 HB2 ASN 50 8.399 18.510 16.588
392 HB3 ASN 50 HB3 ASN 50 9.905 18.134 15.756
393 HD21 ASN 50 HD21 ASN 50 7.909 19.501 14.492
394 HD22 ASN 50 HD22 ASN 50 7.215 18.512 13.257
395 H GLY 51 H GLY 51 8.496 14.966 18.784
396 HA2 GLY 51 HA2 GLY 51 6.576 14.214 19.803
397 HA3 GLY 51 HA3 GLY 51 5.717 15.519 18.998
398 H GLU 52 H GLU 52 6.112 14.882 16.344
399 HA GLU 52 HA GLU 52 5.310 12.128 15.929
400 HB2 GLU 52 HB2 GLU 52 3.258 12.933 14.622
401 HB3 GLU 52 HB3 GLU 52 3.148 12.917 16.375
402 HG2 GLU 52 HG2 GLU 52 2.195 14.940 15.276
403 HG3 GLU 52 HG3 GLU 52 3.416 15.268 16.504
404 H ILE 53 H ILE 53 4.979 11.671 13.571
405 HA ILE 53 HA ILE 53 7.003 13.121 12.049
406 HB ILE 53 HB ILE 53 5.557 10.669 11.092
407 HG12 ILE 53 HG12 ILE 53 7.984 9.812 12.152
408 HG13 ILE 53 HG13 ILE 53 7.344 10.904 13.376
409 HG21 ILE 53 HG21 ILE 53 7.941 10.344 10.114
410 HG22 ILE 53 HG22 ILE 53 6.845 11.504 9.367
411 HG23 ILE 53 HG23 ILE 53 8.118 12.067 10.449
412 HD11 ILE 53 HD11 ILE 53 6.037 9.282 14.101
413 HD12 ILE 53 HD12 ILE 53 5.219 9.251 12.539
414 HD13 ILE 53 HD13 ILE 53 6.618 8.216 12.822
415 H ASP 54 H ASP 54 6.494 14.585 10.570
416 HA ASP 54 HA ASP 54 3.756 15.107 9.888
417 HB2 ASP 54 HB2 ASP 54 6.142 16.359 8.544
418 HB3 ASP 54 HB3 ASP 54 4.544 17.051 8.810
419 H GLN 55 H GLN 55 2.976 15.283 7.666
420 HA GLN 55 HA GLN 55 3.185 12.919 6.240
421 HB2 GLN 55 HB2 GLN 55 2.138 14.199 4.351
422 HB3 GLN 55 HB3 GLN 55 1.297 14.338 5.888
423 HG2 GLN 55 HG2 GLN 55 2.439 16.513 6.249
424 HG3 GLN 55 HG3 GLN 55 3.108 16.378 4.623
425 HE21 GLN 55 HE21 GLN 55 0.290 17.000 6.520
426 HE22 GLN 55 HE22 GLN 55 -0.725 17.528 5.227
427 H ASN 56 H ASN 56 4.848 16.003 5.682
428 HA ASN 56 HA ASN 56 6.176 15.319 3.326
429 HB2 ASN 56 HB2 ASN 56 6.027 17.573 4.759
430 HB3 ASN 56 HB3 ASN 56 7.611 17.022 5.299
431 HD21 ASN 56 HD21 ASN 56 8.878 16.068 3.265
432 HD22 ASN 56 HD22 ASN 56 8.982 17.181 1.949
433 H GLU 57 H GLU 57 7.287 15.043 6.696
434 HA GLU 57 HA GLU 57 9.798 13.938 6.147
435 HB2 GLU 57 HB2 GLU 57 8.074 13.410 8.573
436 HB3 GLU 57 HB3 GLU 57 9.818 13.215 8.466
437 HG2 GLU 57 HG2 GLU 57 10.204 15.498 8.454
438 HG3 GLU 57 HG3 GLU 57 8.560 15.873 7.942
439 H PHE 58 H PHE 58 6.666 12.385 6.717
440 HA PHE 58 HA PHE 58 7.594 9.727 6.668
441 HB2 PHE 58 HB2 PHE 58 5.297 10.670 7.416
442 HB3 PHE 58 HB3 PHE 58 4.854 10.517 5.719
443 HD1 PHE 58 HD1 PHE 58 4.676 8.326 4.673
444 HD2 PHE 58 HD2 PHE 58 5.594 8.741 8.808
445 HE1 PHE 58 HE1 PHE 58 4.135 5.952 5.028
446 HE2 PHE 58 HE2 PHE 58 5.056 6.368 9.170
447 HZ PHE 58 HZ PHE 58 4.326 4.970 7.278
448 H ALA 59 H ALA 59 6.400 11.866 4.120
449 HA ALA 59 HA ALA 59 6.319 9.999 2.034
450 HB1 ALA 59 HB1 ALA 59 6.380 12.940 2.248
451 HB2 ALA 59 HB2 ALA 59 6.893 12.262 0.702
452 HB3 ALA 59 HB3 ALA 59 5.293 11.887 1.342
453 H LYS 60 H LYS 60 8.908 12.275 2.939
454 HA LYS 60 HA LYS 60 10.748 11.362 0.995
455 HB2 LYS 60 HB2 LYS 60 11.309 12.752 3.622
456 HB3 LYS 60 HB3 LYS 60 12.421 12.619 2.266
457 HG2 LYS 60 HG2 LYS 60 9.764 13.865 1.796
458 HG3 LYS 60 HG3 LYS 60 10.992 14.788 2.666
459 HD2 LYS 60 HD2 LYS 60 11.542 13.447 0.029
460 HD3 LYS 60 HD3 LYS 60 10.906 15.090 0.142
461 HE2 LYS 60 HE2 LYS 60 13.490 14.099 1.344
462 HE3 LYS 60 HE3 LYS 60 13.337 15.091 -0.106
463 HZ1 LYS 60 HZ1 LYS 60 13.126 15.847 2.685
464 HZ2 LYS 60 HZ2 LYS 60 11.985 16.558 1.659
465 HZ3 LYS 60 HZ3 LYS 60 13.637 16.754 1.352
466 H PHE 61 H PHE 61 9.842 10.191 4.119
467 HA PHE 61 HA PHE 61 12.211 8.598 4.507
468 HB2 PHE 61 HB2 PHE 61 11.279 9.166 6.548
469 HB3 PHE 61 HB3 PHE 61 9.629 8.973 5.966
470 HD1 PHE 61 HD1 PHE 61 12.645 6.791 6.267
471 HD2 PHE 61 HD2 PHE 61 8.480 7.283 6.986
472 HE1 PHE 61 HE1 PHE 61 12.558 4.548 7.275
473 HE2 PHE 61 HE2 PHE 61 8.385 5.041 7.997
474 HZ PHE 61 HZ PHE 61 10.426 3.671 8.143
475 H TYR 62 H TYR 62 8.979 8.138 3.235
476 HA TYR 62 HA TYR 62 8.976 5.319 3.175
477 HB2 TYR 62 HB2 TYR 62 6.898 6.481 2.918
478 HB3 TYR 62 HB3 TYR 62 7.497 7.369 1.521
479 HD1 TYR 62 HD2 TYR 62 6.205 4.155 2.716
480 HD2 TYR 62 HD1 TYR 62 7.609 6.325 -0.665
481 HE1 TYR 62 HE2 TYR 62 5.293 2.420 1.231
482 HE2 TYR 62 HE1 TYR 62 6.698 4.597 -2.159
483 HH TYR 62 HH TYR 62 5.458 2.747 -2.295
484 H GLY 63 H GLY 63 10.240 4.006 2.052
485 HA2 GLY 63 HA2 GLY 63 11.234 3.090 0.154
486 HA3 GLY 63 HA3 GLY 63 10.823 4.550 -0.734
487 H SER 64 H SER 64 12.257 5.474 2.101
488 HA SER 64 HA SER 64 14.775 5.999 0.720
489 HB2 SER 64 HB2 SER 64 13.652 7.890 1.812
490 HB3 SER 64 HB3 SER 64 13.727 7.050 3.361
491 HG SER 64 HG SER 64 15.936 7.246 3.348
492 H ILE 65 H ILE 65 14.011 3.340 1.836
493 HA ILE 65 HA ILE 65 15.923 2.990 4.011
494 HB ILE 65 HB ILE 65 14.335 0.778 2.742
495 HG12 ILE 65 HG12 ILE 65 13.398 2.699 4.884
496 HG13 ILE 65 HG13 ILE 65 12.738 2.554 3.259
497 HG21 ILE 65 HG21 ILE 65 16.174 0.947 4.866
498 HG22 ILE 65 HG22 ILE 65 14.590 0.670 5.587
499 HG23 ILE 65 HG23 ILE 65 15.212 -0.446 4.372
500 HD11 ILE 65 HD11 ILE 65 11.235 1.419 4.636
501 HD12 ILE 65 HD12 ILE 65 12.195 0.147 3.878
502 HD13 ILE 65 HD13 ILE 65 12.525 0.630 5.543
503 H GLN 66 H GLN 66 16.512 3.485 1.020
504 HA GLN 66 HA GLN 66 17.643 1.276 -0.183
505 HB2 GLN 66 HB2 GLN 66 18.206 4.203 -0.292
506 HB3 GLN 66 HB3 GLN 66 19.348 3.107 -1.058
507 HG2 GLN 66 HG2 GLN 66 17.157 2.124 -2.137
508 HG3 GLN 66 HG3 GLN 66 16.538 3.735 -1.781
509 HE21 GLN 66 HE21 GLN 66 17.407 5.512 -2.841
510 HE22 GLN 66 HE22 GLN 66 18.373 5.355 -4.265
Start of MODEL 6
1 H1 MET 1 H MET 1 -0.652 3.623 -4.287
2 HA MET 1 HA MET 1 -1.951 4.644 -2.098
3 HB2 MET 1 HB2 MET 1 -2.485 2.507 -0.830
4 HB3 MET 1 HB3 MET 1 -3.599 2.947 -2.117
5 HG2 MET 1 HG2 MET 1 -1.504 1.266 -3.134
6 HG3 MET 1 HG3 MET 1 -2.290 0.512 -1.750
7 HE1 MET 1 HE1 MET 1 -5.868 -0.091 -2.814
8 HE2 MET 1 HE2 MET 1 -4.630 -0.152 -1.558
9 HE3 MET 1 HE3 MET 1 -5.408 1.381 -1.957
10 H ALA 2 H ALA 2 0.192 5.371 -1.868
11 HA ALA 2 HA ALA 2 2.030 3.363 -0.738
12 HB1 ALA 2 HB1 ALA 2 2.663 4.348 -3.003
13 HB2 ALA 2 HB2 ALA 2 2.963 5.853 -2.132
14 HB3 ALA 2 HB3 ALA 2 3.883 4.403 -1.730
15 H GLU 3 H GLU 3 1.874 6.924 -0.896
16 HA GLU 3 HA GLU 3 2.640 7.054 1.911
17 HB2 GLU 3 HB2 GLU 3 2.977 9.427 1.529
18 HB3 GLU 3 HB3 GLU 3 3.781 8.500 0.269
19 HG2 GLU 3 HG2 GLU 3 2.002 8.988 -1.284
20 HG3 GLU 3 HG3 GLU 3 1.090 9.814 -0.023
21 H ALA 4 H ALA 4 -0.145 7.411 -0.085
22 HA ALA 4 HA ALA 4 -1.752 9.139 1.349
23 HB1 ALA 4 HB1 ALA 4 -2.158 7.021 -0.597
24 HB2 ALA 4 HB2 ALA 4 -3.509 7.179 0.526
25 HB3 ALA 4 HB3 ALA 4 -2.983 8.570 -0.420
26 H LEU 5 H LEU 5 -0.749 5.912 2.147
27 HA LEU 5 HA LEU 5 -2.741 5.231 4.001
28 HB2 LEU 5 HB2 LEU 5 0.112 4.419 4.375
29 HB3 LEU 5 HB3 LEU 5 -1.358 3.491 4.667
30 HG LEU 5 HG LEU 5 -0.075 4.106 2.011
31 HD11 LEU 5 HD11 LEU 5 1.022 2.298 3.055
32 HD12 LEU 5 HD12 LEU 5 -0.101 1.583 1.899
33 HD13 LEU 5 HD13 LEU 5 -0.497 1.601 3.617
34 HD21 LEU 5 HD21 LEU 5 -2.841 3.511 2.669
35 HD22 LEU 5 HD22 LEU 5 -2.135 2.323 1.571
36 HD23 LEU 5 HD23 LEU 5 -2.127 4.035 1.143
37 H PHE 6 H PHE 6 0.225 7.102 4.330
38 HA PHE 6 HA PHE 6 0.294 7.283 7.125
39 HB2 PHE 6 HB2 PHE 6 2.243 7.995 6.048
40 HB3 PHE 6 HB3 PHE 6 1.359 9.006 4.911
41 HD1 PHE 6 HD1 PHE 6 0.369 11.154 5.695
42 HD2 PHE 6 HD2 PHE 6 3.007 8.844 8.107
43 HE1 PHE 6 HE1 PHE 6 0.780 13.118 7.119
44 HE2 PHE 6 HE2 PHE 6 3.423 10.804 9.536
45 HZ PHE 6 HZ PHE 6 2.308 12.945 9.043
46 H LYS 7 H LYS 7 -1.161 9.466 4.725
47 HA LYS 7 HA LYS 7 -2.288 11.188 6.718
48 HB2 LYS 7 HB2 LYS 7 -2.282 12.520 4.922
49 HB3 LYS 7 HB3 LYS 7 -2.028 11.153 3.843
50 HG2 LYS 7 HG2 LYS 7 -4.439 10.729 3.822
51 HG3 LYS 7 HG3 LYS 7 -4.686 12.117 4.885
52 HD2 LYS 7 HD2 LYS 7 -3.198 12.487 2.324
53 HD3 LYS 7 HD3 LYS 7 -4.958 12.358 2.288
54 HE2 LYS 7 HE2 LYS 7 -3.434 14.301 4.017
55 HE3 LYS 7 HE3 LYS 7 -4.095 14.696 2.431
56 HZ1 LYS 7 HZ1 LYS 7 -6.106 13.511 3.995
57 HZ2 LYS 7 HZ2 LYS 7 -6.050 15.077 3.361
58 HZ3 LYS 7 HZ3 LYS 7 -5.399 14.761 4.890
59 H GLU 8 H GLU 8 -3.306 8.328 5.042
60 HA GLU 8 HA GLU 8 -6.095 8.592 5.392
61 HB2 GLU 8 HB2 GLU 8 -4.957 6.976 3.849
62 HB3 GLU 8 HB3 GLU 8 -4.515 6.022 5.258
63 HG2 GLU 8 HG2 GLU 8 -6.501 5.047 5.319
64 HG3 GLU 8 HG3 GLU 8 -7.337 6.597 5.248
65 H ILE 9 H ILE 9 -3.562 7.153 7.390
66 HA ILE 9 HA ILE 9 -5.302 6.080 9.356
67 HB ILE 9 HB ILE 9 -2.378 6.813 9.502
68 HG12 ILE 9 HG12 ILE 9 -2.986 4.994 7.930
69 HG13 ILE 9 HG13 ILE 9 -2.002 4.421 9.273
70 HG21 ILE 9 HG21 ILE 9 -4.144 5.421 11.502
71 HG22 ILE 9 HG22 ILE 9 -2.384 5.314 11.524
72 HG23 ILE 9 HG23 ILE 9 -3.174 6.876 11.736
73 HD11 ILE 9 HD11 ILE 9 -4.798 4.209 9.902
74 HD12 ILE 9 HD12 ILE 9 -4.423 3.383 8.390
75 HD13 ILE 9 HD13 ILE 9 -3.553 2.961 9.864
76 H ASP 10 H ASP 10 -4.057 9.243 8.761
77 HA ASP 10 HA ASP 10 -4.484 10.228 11.432
78 HB2 ASP 10 HB2 ASP 10 -3.589 11.377 8.838
79 HB3 ASP 10 HB3 ASP 10 -4.291 12.487 10.012
80 H VAL 11 H VAL 11 -6.725 9.415 11.554
81 HA VAL 11 HA VAL 11 -8.811 10.397 9.953
82 HB VAL 11 HB VAL 11 -9.044 9.641 12.866
83 HG11 VAL 11 HG11 VAL 11 -11.273 8.722 11.673
84 HG12 VAL 11 HG12 VAL 11 -11.147 10.325 12.399
85 HG13 VAL 11 HG13 VAL 11 -10.941 10.125 10.658
86 HG21 VAL 11 HG21 VAL 11 -8.768 7.941 10.414
87 HG22 VAL 11 HG22 VAL 11 -7.939 7.799 11.963
88 HG23 VAL 11 HG23 VAL 11 -9.641 7.358 11.831
89 H ASN 12 H ASN 12 -6.944 11.915 12.387
90 HA ASN 12 HA ASN 12 -8.918 13.916 13.056
91 HB2 ASN 12 HB2 ASN 12 -6.877 14.976 14.223
92 HB3 ASN 12 HB3 ASN 12 -7.470 13.437 14.841
93 HD21 ASN 12 HD21 ASN 12 -5.392 13.136 15.770
94 HD22 ASN 12 HD22 ASN 12 -4.070 12.583 14.804
95 H GLY 13 H GLY 13 -7.119 13.395 10.378
96 HA2 GLY 13 HA2 GLY 13 -6.372 14.705 8.644
97 HA3 GLY 13 HA3 GLY 13 -7.650 15.805 9.140
98 H ASP 14 H ASP 14 -4.645 14.846 10.777
99 HA ASP 14 HA ASP 14 -3.985 17.695 11.037
100 HB2 ASP 14 HB2 ASP 14 -2.401 16.901 12.817
101 HB3 ASP 14 HB3 ASP 14 -4.100 16.587 13.161
102 H GLY 15 H GLY 15 -3.090 14.871 9.376
103 HA2 GLY 15 HA2 GLY 15 -1.467 14.534 7.777
104 HA3 GLY 15 HA3 GLY 15 -1.012 16.221 7.963
105 H ALA 16 H ALA 16 -1.008 14.655 10.931
106 HA ALA 16 HA ALA 16 1.826 13.911 10.699
107 HB1 ALA 16 HB1 ALA 16 0.629 15.976 12.446
108 HB2 ALA 16 HB2 ALA 16 1.856 14.934 13.167
109 HB3 ALA 16 HB3 ALA 16 2.239 15.884 11.732
110 H VAL 17 H VAL 17 2.442 12.152 11.871
111 HA VAL 17 HA VAL 17 0.398 10.907 13.593
112 HB VAL 17 HB VAL 17 1.187 8.701 12.850
113 HG11 VAL 17 HG11 VAL 17 0.570 10.015 10.277
114 HG12 VAL 17 HG12 VAL 17 -0.214 8.648 11.072
115 HG13 VAL 17 HG13 VAL 17 -0.567 10.295 11.595
116 HG21 VAL 17 HG21 VAL 17 3.184 10.351 11.467
117 HG22 VAL 17 HG22 VAL 17 3.287 8.687 12.044
118 HG23 VAL 17 HG23 VAL 17 2.507 9.038 10.503
119 H SER 18 H SER 18 1.063 10.812 15.625
120 HA SER 18 HA SER 18 3.866 11.044 16.290
121 HB2 SER 18 HB2 SER 18 2.484 10.531 18.651
122 HB3 SER 18 HB3 SER 18 2.903 12.121 18.011
123 HG SER 18 HG SER 18 0.769 12.275 18.167
124 H TYR 19 H TYR 19 4.529 9.576 18.279
125 HA TYR 19 HA TYR 19 5.110 7.066 17.357
126 HB2 TYR 19 HB2 TYR 19 5.560 6.444 19.710
127 HB3 TYR 19 HB3 TYR 19 6.223 8.021 19.297
128 HD1 TYR 19 HD1 TYR 19 5.066 10.085 20.099
129 HD2 TYR 19 HD2 TYR 19 3.932 6.203 21.422
130 HE1 TYR 19 HE1 TYR 19 3.881 11.088 22.007
131 HE2 TYR 19 HE2 TYR 19 2.744 7.195 23.332
132 HH TYR 19 HH TYR 19 3.214 10.144 24.460
133 H GLU 20 H GLU 20 2.352 8.005 19.385
134 HA GLU 20 HA GLU 20 1.268 5.470 19.793
135 HB2 GLU 20 HB2 GLU 20 0.156 8.241 19.780
136 HB3 GLU 20 HB3 GLU 20 -0.964 6.888 19.826
137 HG2 GLU 20 HG2 GLU 20 0.968 6.306 21.752
138 HG3 GLU 20 HG3 GLU 20 0.622 8.025 21.934
139 H GLU 21 H GLU 21 0.646 7.803 17.189
140 HA GLU 21 HA GLU 21 -1.328 6.386 15.833
141 HB2 GLU 21 HB2 GLU 21 0.781 8.298 14.839
142 HB3 GLU 21 HB3 GLU 21 -0.468 7.640 13.793
143 HG2 GLU 21 HG2 GLU 21 -1.615 8.728 16.199
144 HG3 GLU 21 HG3 GLU 21 -0.616 9.924 15.374
145 H VAL 22 H VAL 22 2.193 6.180 15.584
146 HA VAL 22 HA VAL 22 2.322 4.425 13.397
147 HB VAL 22 HB VAL 22 4.234 4.808 15.702
148 HG11 VAL 22 HG11 VAL 22 5.712 3.813 13.624
149 HG12 VAL 22 HG12 VAL 22 5.167 2.890 15.025
150 HG13 VAL 22 HG13 VAL 22 4.233 2.858 13.528
151 HG21 VAL 22 HG21 VAL 22 3.595 6.465 13.574
152 HG22 VAL 22 HG22 VAL 22 5.035 6.566 14.587
153 HG23 VAL 22 HG23 VAL 22 5.087 5.669 13.069
154 H LYS 23 H LYS 23 2.548 3.701 16.883
155 HA LYS 23 HA LYS 23 2.658 0.929 16.679
156 HB2 LYS 23 HB2 LYS 23 2.163 2.886 18.769
157 HB3 LYS 23 HB3 LYS 23 1.217 1.423 19.012
158 HG2 LYS 23 HG2 LYS 23 4.192 1.456 18.561
159 HG3 LYS 23 HG3 LYS 23 3.422 1.414 20.150
160 HD2 LYS 23 HD2 LYS 23 3.045 -0.646 17.976
161 HD3 LYS 23 HD3 LYS 23 4.110 -0.823 19.373
162 HE2 LYS 23 HE2 LYS 23 1.110 -0.526 19.402
163 HE3 LYS 23 HE3 LYS 23 2.035 -1.974 19.797
164 HZ1 LYS 23 HZ1 LYS 23 1.495 -1.049 21.846
165 HZ2 LYS 23 HZ2 LYS 23 1.803 0.535 21.338
166 HZ3 LYS 23 HZ3 LYS 23 3.088 -0.534 21.596
167 H ALA 24 H ALA 24 -0.096 3.102 16.606
168 HA ALA 24 HA ALA 24 -2.106 1.119 16.878
169 HB1 ALA 24 HB1 ALA 24 -3.536 2.841 16.812
170 HB2 ALA 24 HB2 ALA 24 -2.087 3.846 16.875
171 HB3 ALA 24 HB3 ALA 24 -2.842 3.486 15.323
172 H PHE 25 H PHE 25 -0.574 2.649 14.073
173 HA PHE 25 HA PHE 25 -2.131 1.632 12.038
174 HB2 PHE 25 HB2 PHE 25 -0.031 3.204 12.001
175 HB3 PHE 25 HB3 PHE 25 0.847 1.705 11.715
176 HD1 PHE 25 HD1 PHE 25 -1.968 0.792 10.249
177 HD2 PHE 25 HD2 PHE 25 1.010 3.791 9.743
178 HE1 PHE 25 HE1 PHE 25 -2.516 0.928 7.855
179 HE2 PHE 25 HE2 PHE 25 0.466 3.932 7.348
180 HZ PHE 25 HZ PHE 25 -1.300 2.501 6.401
181 H VAL 26 H VAL 26 0.780 0.137 13.450
182 HA VAL 26 HA VAL 26 0.553 -2.262 11.946
183 HB VAL 26 HB VAL 26 2.573 -1.215 13.337
184 HG11 VAL 26 HG11 VAL 26 1.601 -3.381 15.188
185 HG12 VAL 26 HG12 VAL 26 2.980 -2.303 15.406
186 HG13 VAL 26 HG13 VAL 26 1.339 -1.663 15.487
187 HG21 VAL 26 HG21 VAL 26 2.575 -4.175 13.327
188 HG22 VAL 26 HG22 VAL 26 2.261 -3.369 11.790
189 HG23 VAL 26 HG23 VAL 26 3.752 -3.038 12.670
190 H SER 27 H SER 27 -0.751 -1.176 14.989
191 HA SER 27 HA SER 27 -1.433 -3.684 16.079
192 HB2 SER 27 HB2 SER 27 -1.979 -0.882 16.661
193 HB3 SER 27 HB3 SER 27 -3.370 -1.913 17.001
194 HG SER 27 HG SER 27 -0.879 -2.810 17.862
195 H LYS 28 H LYS 28 -2.825 -1.792 13.559
196 HA LYS 28 HA LYS 28 -5.445 -2.927 13.652
197 HB2 LYS 28 HB2 LYS 28 -3.936 -1.370 11.559
198 HB3 LYS 28 HB3 LYS 28 -5.560 -1.985 11.275
199 HG2 LYS 28 HG2 LYS 28 -4.813 -0.140 13.534
200 HG3 LYS 28 HG3 LYS 28 -5.489 0.385 11.990
201 HD2 LYS 28 HD2 LYS 28 -6.816 -1.518 13.921
202 HD3 LYS 28 HD3 LYS 28 -7.203 0.195 13.748
203 HE2 LYS 28 HE2 LYS 28 -7.345 -0.776 11.163
204 HE3 LYS 28 HE3 LYS 28 -8.030 -2.078 12.135
205 HZ1 LYS 28 HZ1 LYS 28 -9.890 -0.920 12.311
206 HZ2 LYS 28 HZ2 LYS 28 -9.233 0.329 11.379
207 HZ3 LYS 28 HZ3 LYS 28 -9.065 0.353 13.062
208 H LYS 29 H LYS 29 -2.491 -4.209 12.817
209 HA LYS 29 HA LYS 29 -3.680 -6.109 10.909
210 HB2 LYS 29 HB2 LYS 29 -0.733 -5.791 11.429
211 HB3 LYS 29 HB3 LYS 29 -1.525 -6.508 10.032
212 HG2 LYS 29 HG2 LYS 29 -1.419 -3.590 10.760
213 HG3 LYS 29 HG3 LYS 29 -0.618 -4.388 9.403
214 HD2 LYS 29 HD2 LYS 29 -3.602 -4.154 9.798
215 HD3 LYS 29 HD3 LYS 29 -2.631 -3.182 8.689
216 HE2 LYS 29 HE2 LYS 29 -3.109 -6.155 8.582
217 HE3 LYS 29 HE3 LYS 29 -3.679 -4.940 7.441
218 HZ1 LYS 29 HZ1 LYS 29 -1.778 -6.079 6.545
219 HZ2 LYS 29 HZ2 LYS 29 -0.853 -5.719 7.914
220 HZ3 LYS 29 HZ3 LYS 29 -1.350 -4.476 6.879
221 H ARG 30 H ARG 30 -2.318 -5.765 14.052
222 HA ARG 30 HA ARG 30 -3.140 -8.314 14.896
223 HB2 ARG 30 HB2 ARG 30 -0.872 -9.294 15.341
224 HB3 ARG 30 HB3 ARG 30 -1.325 -9.232 13.643
225 HG2 ARG 30 HG2 ARG 30 -0.007 -6.838 14.059
226 HG3 ARG 30 HG3 ARG 30 0.909 -8.005 15.014
227 HD2 ARG 30 HD2 ARG 30 0.296 -8.076 12.071
228 HD3 ARG 30 HD3 ARG 30 1.874 -8.001 12.854
229 HE ARG 30 HE ARG 30 0.889 -10.333 13.761
230 HH11 ARG 30 HH11 ARG 30 1.149 -8.977 10.565
231 HH12 ARG 30 HH12 ARG 30 1.308 -10.515 9.784
232 HH21 ARG 30 HH21 ARG 30 1.099 -12.364 12.744
233 HH22 ARG 30 HH22 ARG 30 1.279 -12.441 11.024
234 H ALA 31 H ALA 31 -1.645 -8.858 17.037
235 HA ALA 31 HA ALA 31 -1.653 -6.339 18.566
236 HB1 ALA 31 HB1 ALA 31 -1.856 -8.415 20.401
237 HB2 ALA 31 HB2 ALA 31 -3.151 -7.343 19.868
238 HB3 ALA 31 HB3 ALA 31 -2.905 -8.895 19.067
239 H ILE 32 H ILE 32 0.494 -5.797 18.403
240 HA ILE 32 HA ILE 32 2.359 -7.608 19.773
241 HB ILE 32 HB ILE 32 3.013 -6.023 17.287
242 HG12 ILE 32 HG12 ILE 32 1.640 -8.046 16.864
243 HG13 ILE 32 HG13 ILE 32 3.258 -8.173 16.183
244 HG21 ILE 32 HG21 ILE 32 5.043 -7.840 17.774
245 HG22 ILE 32 HG22 ILE 32 5.102 -6.101 18.055
246 HG23 ILE 32 HG23 ILE 32 4.657 -7.192 19.368
247 HD11 ILE 32 HD11 ILE 32 1.972 -9.999 17.837
248 HD12 ILE 32 HD12 ILE 32 3.668 -10.009 17.347
249 HD13 ILE 32 HD13 ILE 32 3.190 -9.232 18.856
250 H LYS 33 H LYS 33 2.607 -6.522 21.645
251 HA LYS 33 HA LYS 33 2.837 -3.641 21.703
252 HB2 LYS 33 HB2 LYS 33 3.166 -4.005 24.162
253 HB3 LYS 33 HB3 LYS 33 1.659 -4.649 23.524
254 HG2 LYS 33 HG2 LYS 33 3.564 -6.716 23.347
255 HG3 LYS 33 HG3 LYS 33 3.732 -5.993 24.949
256 HD2 LYS 33 HD2 LYS 33 1.025 -6.144 24.700
257 HD3 LYS 33 HD3 LYS 33 1.540 -7.578 23.808
258 HE2 LYS 33 HE2 LYS 33 1.236 -8.267 26.050
259 HE3 LYS 33 HE3 LYS 33 2.978 -8.149 25.802
260 HZ1 LYS 33 HZ1 LYS 33 2.896 -5.937 26.843
261 HZ2 LYS 33 HZ2 LYS 33 2.398 -7.165 27.894
262 HZ3 LYS 33 HZ3 LYS 33 1.250 -6.158 27.167
263 H ASN 34 H ASN 34 4.693 -2.830 20.933
264 HA ASN 34 HA ASN 34 7.208 -3.947 21.986
265 HB2 ASN 34 HB2 ASN 34 6.430 -3.203 19.222
266 HB3 ASN 34 HB3 ASN 34 8.056 -2.754 19.725
267 HD21 ASN 34 HD21 ASN 34 5.960 -5.561 20.300
268 HD22 ASN 34 HD22 ASN 34 7.116 -6.740 19.791
269 H GLU 35 H GLU 35 7.683 -2.551 23.594
270 HA GLU 35 HA GLU 35 7.191 0.261 23.410
271 HB2 GLU 35 HB2 GLU 35 7.658 -1.513 25.474
272 HB3 GLU 35 HB3 GLU 35 9.140 -0.571 25.425
273 HG2 GLU 35 HG2 GLU 35 6.491 0.804 25.409
274 HG3 GLU 35 HG3 GLU 35 7.175 0.202 26.918
275 H GLN 36 H GLN 36 10.045 -1.807 23.130
276 HA GLN 36 HA GLN 36 11.889 0.345 22.828
277 HB2 GLN 36 HB2 GLN 36 12.178 -2.278 23.379
278 HB3 GLN 36 HB3 GLN 36 12.558 -2.294 21.662
279 HG2 GLN 36 HG2 GLN 36 13.984 -0.138 22.705
280 HG3 GLN 36 HG3 GLN 36 14.159 -1.432 23.889
281 HE21 GLN 36 HE21 GLN 36 14.900 -0.348 20.699
282 HE22 GLN 36 HE22 GLN 36 15.999 -1.617 20.292
283 H LEU 37 H LEU 37 10.439 -1.947 20.519
284 HA LEU 37 HA LEU 37 11.609 -0.886 18.208
285 HB2 LEU 37 HB2 LEU 37 10.164 -3.047 18.662
286 HB3 LEU 37 HB3 LEU 37 8.854 -2.009 18.102
287 HG LEU 37 HG LEU 37 10.170 -1.637 15.999
288 HD11 LEU 37 HD11 LEU 37 12.377 -2.162 16.603
289 HD12 LEU 37 HD12 LEU 37 11.867 -3.473 15.541
290 HD13 LEU 37 HD13 LEU 37 11.910 -3.719 17.287
291 HD21 LEU 37 HD21 LEU 37 8.365 -3.500 16.559
292 HD22 LEU 37 HD22 LEU 37 9.732 -4.564 16.224
293 HD23 LEU 37 HD23 LEU 37 9.180 -3.423 14.996
294 H LEU 38 H LEU 38 8.635 -0.038 19.906
295 HA LEU 38 HA LEU 38 7.573 1.709 17.980
296 HB2 LEU 38 HB2 LEU 38 6.215 0.913 19.788
297 HB3 LEU 38 HB3 LEU 38 7.289 1.646 20.978
298 HG LEU 38 HG LEU 38 5.013 2.764 20.439
299 HD11 LEU 38 HD11 LEU 38 7.280 4.685 20.277
300 HD12 LEU 38 HD12 LEU 38 7.155 3.633 21.685
301 HD13 LEU 38 HD13 LEU 38 5.831 4.727 21.281
302 HD21 LEU 38 HD21 LEU 38 6.475 4.287 18.370
303 HD22 LEU 38 HD22 LEU 38 4.753 3.938 18.520
304 HD23 LEU 38 HD23 LEU 38 5.852 2.706 17.899
305 H GLN 39 H GLN 39 9.649 2.349 20.794
306 HA GLN 39 HA GLN 39 9.829 5.132 20.426
307 HB2 GLN 39 HB2 GLN 39 10.665 3.395 22.346
308 HB3 GLN 39 HB3 GLN 39 12.193 3.799 21.575
309 HG2 GLN 39 HG2 GLN 39 10.231 5.815 22.642
310 HG3 GLN 39 HG3 GLN 39 11.645 5.226 23.514
311 HE21 GLN 39 HE21 GLN 39 13.735 5.680 22.629
312 HE22 GLN 39 HE22 GLN 39 13.973 7.075 21.640
313 H LEU 40 H LEU 40 12.076 2.533 19.491
314 HA LEU 40 HA LEU 40 13.945 4.169 18.192
315 HB2 LEU 40 HB2 LEU 40 13.807 1.540 18.809
316 HB3 LEU 40 HB3 LEU 40 13.522 1.478 17.071
317 HG LEU 40 HG LEU 40 15.950 2.585 18.476
318 HD11 LEU 40 HD11 LEU 40 15.550 0.048 18.144
319 HD12 LEU 40 HD12 LEU 40 17.107 0.743 17.693
320 HD13 LEU 40 HD13 LEU 40 15.907 0.386 16.450
321 HD21 LEU 40 HD21 LEU 40 14.900 2.999 15.760
322 HD22 LEU 40 HD22 LEU 40 16.598 2.528 15.851
323 HD23 LEU 40 HD23 LEU 40 16.035 3.967 16.702
324 H ILE 41 H ILE 41 11.262 2.262 16.830
325 HA ILE 41 HA ILE 41 11.609 3.082 14.168
326 HB ILE 41 HB ILE 41 9.156 2.106 15.622
327 HG12 ILE 41 HG12 ILE 41 11.043 0.514 15.352
328 HG13 ILE 41 HG13 ILE 41 9.603 0.015 14.471
329 HG21 ILE 41 HG21 ILE 41 8.268 1.692 13.291
330 HG22 ILE 41 HG22 ILE 41 8.296 3.372 13.826
331 HG23 ILE 41 HG23 ILE 41 9.533 2.780 12.716
332 HD11 ILE 41 HD11 ILE 41 11.587 -0.362 13.147
333 HD12 ILE 41 HD12 ILE 41 10.589 0.888 12.404
334 HD13 ILE 41 HD13 ILE 41 12.040 1.334 13.301
335 H PHE 42 H PHE 42 9.915 4.543 16.863
336 HA PHE 42 HA PHE 42 8.351 6.399 15.476
337 HB2 PHE 42 HB2 PHE 42 7.921 6.088 17.794
338 HB3 PHE 42 HB3 PHE 42 9.585 6.466 18.227
339 HD1 PHE 42 HD2 PHE 42 6.987 8.178 16.164
340 HD2 PHE 42 HD1 PHE 42 9.712 8.411 19.425
341 HE1 PHE 42 HE2 PHE 42 6.354 10.529 16.519
342 HE2 PHE 42 HE1 PHE 42 9.084 10.763 19.786
343 HZ PHE 42 HZ PHE 42 7.404 11.825 18.332
344 H LYS 43 H LYS 43 11.598 6.797 16.882
345 HA LYS 43 HA LYS 43 11.953 9.418 15.816
346 HB2 LYS 43 HB2 LYS 43 13.228 7.880 17.724
347 HB3 LYS 43 HB3 LYS 43 14.409 7.956 16.423
348 HG2 LYS 43 HG2 LYS 43 14.771 10.175 16.692
349 HG3 LYS 43 HG3 LYS 43 13.115 10.498 17.207
350 HD2 LYS 43 HD2 LYS 43 14.562 10.851 19.083
351 HD3 LYS 43 HD3 LYS 43 13.646 9.370 19.369
352 HE2 LYS 43 HE2 LYS 43 15.577 8.060 18.566
353 HE3 LYS 43 HE3 LYS 43 16.487 9.556 18.372
354 HZ1 LYS 43 HZ1 LYS 43 16.742 8.172 20.523
355 HZ2 LYS 43 HZ2 LYS 43 15.289 8.906 20.979
356 HZ3 LYS 43 HZ3 LYS 43 16.644 9.857 20.631
357 H SER 44 H SER 44 12.662 6.185 14.706
358 HA SER 44 HA SER 44 14.482 6.886 12.650
359 HB2 SER 44 HB2 SER 44 12.705 4.470 13.032
360 HB3 SER 44 HB3 SER 44 13.874 4.617 11.720
361 HG SER 44 HG SER 44 14.787 5.101 14.306
362 H ILE 45 H ILE 45 10.997 6.157 12.587
363 HA ILE 45 HA ILE 45 10.663 6.693 9.830
364 HB ILE 45 HB ILE 45 8.648 6.704 12.078
365 HG12 ILE 45 HG12 ILE 45 9.346 4.642 9.976
366 HG13 ILE 45 HG13 ILE 45 9.697 4.532 11.697
367 HG21 ILE 45 HG21 ILE 45 7.813 8.065 10.266
368 HG22 ILE 45 HG22 ILE 45 8.211 6.807 9.098
369 HG23 ILE 45 HG23 ILE 45 6.948 6.529 10.296
370 HD11 ILE 45 HD11 ILE 45 6.988 4.499 10.396
371 HD12 ILE 45 HD12 ILE 45 7.807 3.162 11.204
372 HD13 ILE 45 HD13 ILE 45 7.259 4.555 12.137
373 H ASP 46 H ASP 46 10.554 8.703 12.695
374 HA ASP 46 HA ASP 46 9.490 10.987 11.278
375 HB2 ASP 46 HB2 ASP 46 9.291 10.310 13.840
376 HB3 ASP 46 HB3 ASP 46 10.770 11.260 13.958
377 H ALA 47 H ALA 47 10.666 12.324 10.091
378 HA ALA 47 HA ALA 47 13.464 12.116 9.828
379 HB1 ALA 47 HB1 ALA 47 13.317 13.812 8.238
380 HB2 ALA 47 HB2 ALA 47 11.742 13.024 8.156
381 HB3 ALA 47 HB3 ALA 47 11.919 14.552 9.017
382 H ASP 48 H ASP 48 11.410 14.401 11.583
383 HA ASP 48 HA ASP 48 13.827 15.575 12.783
384 HB2 ASP 48 HB2 ASP 48 12.371 17.493 13.387
385 HB3 ASP 48 HB3 ASP 48 12.455 17.223 11.648
386 H GLY 49 H GLY 49 11.127 13.599 13.395
387 HA2 GLY 49 HA2 GLY 49 10.336 12.594 15.300
388 HA3 GLY 49 HA3 GLY 49 11.912 12.943 15.999
389 H ASN 50 H ASN 50 9.684 15.399 14.846
390 HA ASN 50 HA ASN 50 9.706 16.641 17.460
391 HB2 ASN 50 HB2 ASN 50 8.475 18.471 16.341
392 HB3 ASN 50 HB3 ASN 50 9.959 18.053 15.489
393 HD21 ASN 50 HD21 ASN 50 7.897 19.450 14.292
394 HD22 ASN 50 HD22 ASN 50 7.190 18.465 13.060
395 H GLY 51 H GLY 51 8.525 14.955 18.575
396 HA2 GLY 51 HA2 GLY 51 6.604 14.254 19.628
397 HA3 GLY 51 HA3 GLY 51 5.760 15.564 18.815
398 H GLU 52 H GLU 52 6.106 14.883 16.166
399 HA GLU 52 HA GLU 52 5.240 12.140 15.805
400 HB2 GLU 52 HB2 GLU 52 3.202 12.988 14.490
401 HB3 GLU 52 HB3 GLU 52 3.100 12.976 16.244
402 HG2 GLU 52 HG2 GLU 52 2.201 15.024 15.106
403 HG3 GLU 52 HG3 GLU 52 3.385 15.309 16.380
404 H ILE 53 H ILE 53 4.892 11.641 13.463
405 HA ILE 53 HA ILE 53 6.931 13.024 11.898
406 HB ILE 53 HB ILE 53 5.438 10.573 11.008
407 HG12 ILE 53 HG12 ILE 53 7.880 9.730 12.072
408 HG13 ILE 53 HG13 ILE 53 7.226 10.830 13.280
409 HG21 ILE 53 HG21 ILE 53 7.925 12.000 10.246
410 HG22 ILE 53 HG22 ILE 53 7.903 10.243 10.093
411 HG23 ILE 53 HG23 ILE 53 6.711 11.218 9.234
412 HD11 ILE 53 HD11 ILE 53 6.630 8.173 13.038
413 HD12 ILE 53 HD12 ILE 53 5.677 9.368 13.918
414 HD13 ILE 53 HD13 ILE 53 5.255 8.953 12.256
415 H ASP 54 H ASP 54 6.419 14.495 10.429
416 HA ASP 54 HA ASP 54 3.669 14.953 9.699
417 HB2 ASP 54 HB2 ASP 54 6.200 16.328 8.772
418 HB3 ASP 54 HB3 ASP 54 4.559 16.881 8.447
419 H GLN 55 H GLN 55 2.972 15.178 7.450
420 HA GLN 55 HA GLN 55 3.322 12.877 5.958
421 HB2 GLN 55 HB2 GLN 55 2.324 14.181 4.064
422 HB3 GLN 55 HB3 GLN 55 1.412 14.261 5.566
423 HG2 GLN 55 HG2 GLN 55 2.536 16.450 6.025
424 HG3 GLN 55 HG3 GLN 55 3.197 16.374 4.393
425 HE21 GLN 55 HE21 GLN 55 0.036 15.770 5.897
426 HE22 GLN 55 HE22 GLN 55 -0.866 16.742 4.789
427 H ASN 56 H ASN 56 4.900 16.031 5.545
428 HA ASN 56 HA ASN 56 6.368 15.433 3.249
429 HB2 ASN 56 HB2 ASN 56 6.068 17.648 4.769
430 HB3 ASN 56 HB3 ASN 56 7.686 17.160 5.263
431 HD21 ASN 56 HD21 ASN 56 8.951 18.587 4.266
432 HD22 ASN 56 HD22 ASN 56 8.978 18.871 2.562
433 H GLU 57 H GLU 57 7.325 15.164 6.667
434 HA GLU 57 HA GLU 57 9.900 14.160 6.224
435 HB2 GLU 57 HB2 GLU 57 8.068 13.620 8.567
436 HB3 GLU 57 HB3 GLU 57 9.810 13.380 8.546
437 HG2 GLU 57 HG2 GLU 57 10.264 15.614 8.666
438 HG3 GLU 57 HG3 GLU 57 8.747 16.076 7.896
439 H PHE 58 H PHE 58 6.799 12.506 6.609
440 HA PHE 58 HA PHE 58 7.791 9.876 6.647
441 HB2 PHE 58 HB2 PHE 58 5.426 10.721 7.206
442 HB3 PHE 58 HB3 PHE 58 5.124 10.640 5.473
443 HD1 PHE 58 HD2 PHE 58 5.829 8.688 8.498
444 HD2 PHE 58 HD1 PHE 58 4.874 8.540 4.352
445 HE1 PHE 58 HE2 PHE 58 5.300 6.295 8.708
446 HE2 PHE 58 HE1 PHE 58 4.341 6.148 4.557
447 HZ PHE 58 HZ PHE 58 4.555 5.021 6.736
448 H ALA 59 H ALA 59 6.708 11.934 3.975
449 HA ALA 59 HA ALA 59 6.932 10.033 1.924
450 HB1 ALA 59 HB1 ALA 59 5.878 11.778 1.005
451 HB2 ALA 59 HB2 ALA 59 6.622 12.930 2.115
452 HB3 ALA 59 HB3 ALA 59 7.495 12.402 0.676
453 H LYS 60 H LYS 60 9.252 12.516 2.994
454 HA LYS 60 HA LYS 60 11.310 11.774 1.217
455 HB2 LYS 60 HB2 LYS 60 11.191 13.359 3.755
456 HB3 LYS 60 HB3 LYS 60 12.757 12.929 3.078
457 HG2 LYS 60 HG2 LYS 60 12.498 14.282 1.255
458 HG3 LYS 60 HG3 LYS 60 10.737 14.185 1.295
459 HD2 LYS 60 HD2 LYS 60 10.694 16.144 2.345
460 HD3 LYS 60 HD3 LYS 60 11.531 15.399 3.709
461 HE2 LYS 60 HE2 LYS 60 12.906 16.566 1.292
462 HE3 LYS 60 HE3 LYS 60 12.657 17.431 2.809
463 HZ1 LYS 60 HZ1 LYS 60 14.866 16.143 2.344
464 HZ2 LYS 60 HZ2 LYS 60 13.974 14.812 2.889
465 HZ3 LYS 60 HZ3 LYS 60 14.187 16.156 3.894
466 H PHE 61 H PHE 61 10.247 10.456 4.232
467 HA PHE 61 HA PHE 61 12.681 9.028 4.790
468 HB2 PHE 61 HB2 PHE 61 11.484 9.484 6.733
469 HB3 PHE 61 HB3 PHE 61 9.936 9.097 5.990
470 HD1 PHE 61 HD1 PHE 61 13.152 7.260 6.465
471 HD2 PHE 61 HD2 PHE 61 8.928 7.302 6.985
472 HE1 PHE 61 HE1 PHE 61 13.254 5.004 7.443
473 HE2 PHE 61 HE2 PHE 61 9.022 5.046 7.964
474 HZ PHE 61 HZ PHE 61 11.187 3.895 8.194
475 H TYR 62 H TYR 62 9.608 8.344 3.237
476 HA TYR 62 HA TYR 62 9.784 5.557 3.095
477 HB2 TYR 62 HB2 TYR 62 7.719 6.671 2.551
478 HB3 TYR 62 HB3 TYR 62 8.480 7.540 1.224
479 HD1 TYR 62 HD1 TYR 62 7.371 4.201 2.364
480 HD2 TYR 62 HD2 TYR 62 8.685 6.556 -0.927
481 HE1 TYR 62 HE1 TYR 62 6.723 2.397 0.823
482 HE2 TYR 62 HE2 TYR 62 8.041 4.759 -2.478
483 HH TYR 62 HH TYR 62 7.648 1.770 -1.765
484 H GLY 63 H GLY 63 11.269 4.325 2.166
485 HA2 GLY 63 HA2 GLY 63 12.598 3.482 0.456
486 HA3 GLY 63 HA3 GLY 63 12.199 4.895 -0.510
487 H SER 64 H SER 64 13.164 5.963 2.469
488 HA SER 64 HA SER 64 15.797 6.668 1.423
489 HB2 SER 64 HB2 SER 64 14.384 8.473 2.316
490 HB3 SER 64 HB3 SER 64 14.337 7.665 3.883
491 HG SER 64 HG SER 64 16.236 8.447 4.317
492 H ILE 65 H ILE 65 15.110 3.969 2.476
493 HA ILE 65 HA ILE 65 16.716 3.796 4.902
494 HB ILE 65 HB ILE 65 15.519 1.447 3.464
495 HG12 ILE 65 HG12 ILE 65 13.688 2.014 5.399
496 HG13 ILE 65 HG13 ILE 65 14.136 3.636 4.881
497 HG21 ILE 65 HG21 ILE 65 16.491 2.041 6.224
498 HG22 ILE 65 HG22 ILE 65 15.283 0.782 5.969
499 HG23 ILE 65 HG23 ILE 65 16.854 0.670 5.177
500 HD11 ILE 65 HD11 ILE 65 13.766 2.422 2.495
501 HD12 ILE 65 HD12 ILE 65 12.592 1.568 3.497
502 HD13 ILE 65 HD13 ILE 65 12.525 3.325 3.364
503 H GLN 66 H GLN 66 17.681 4.322 2.015
504 HA GLN 66 HA GLN 66 19.219 2.127 1.175
505 HB2 GLN 66 HB2 GLN 66 19.091 5.008 0.569
506 HB3 GLN 66 HB3 GLN 66 20.653 4.257 0.271
507 HG2 GLN 66 HG2 GLN 66 18.715 2.524 -0.798
508 HG3 GLN 66 HG3 GLN 66 18.269 4.155 -1.295
509 HE21 GLN 66 HE21 GLN 66 20.722 5.337 -1.550
510 HE22 GLN 66 HE22 GLN 66 21.600 4.587 -2.835
Start of MODEL 7
1 H1 MET 1 H MET 1 1.748 5.615 -6.274
2 HA MET 1 HA MET 1 1.659 7.005 -4.461
3 HB2 MET 1 HB2 MET 1 -1.342 6.689 -4.501
4 HB3 MET 1 HB3 MET 1 -0.411 7.966 -3.729
5 HG2 MET 1 HG2 MET 1 -0.709 9.180 -5.550
6 HG3 MET 1 HG3 MET 1 0.342 8.052 -6.404
7 HE1 MET 1 HE1 MET 1 -1.434 8.596 -9.004
8 HE2 MET 1 HE2 MET 1 -2.945 9.236 -8.358
9 HE3 MET 1 HE3 MET 1 -1.401 9.809 -7.724
10 H ALA 2 H ALA 2 2.452 6.100 -2.688
11 HA ALA 2 HA ALA 2 0.821 4.082 -1.290
12 HB1 ALA 2 HB1 ALA 2 2.950 3.282 -2.541
13 HB2 ALA 2 HB2 ALA 2 3.808 4.004 -1.179
14 HB3 ALA 2 HB3 ALA 2 2.640 2.711 -0.902
15 H GLU 3 H GLU 3 1.157 7.034 -0.945
16 HA GLU 3 HA GLU 3 2.219 7.026 1.805
17 HB2 GLU 3 HB2 GLU 3 1.979 9.354 -0.111
18 HB3 GLU 3 HB3 GLU 3 2.602 9.439 1.531
19 HG2 GLU 3 HG2 GLU 3 4.611 9.133 0.649
20 HG3 GLU 3 HG3 GLU 3 4.128 7.461 0.371
21 H ALA 4 H ALA 4 -0.529 7.510 -0.179
22 HA ALA 4 HA ALA 4 -2.084 9.287 1.257
23 HB1 ALA 4 HB1 ALA 4 -2.738 6.928 -0.455
24 HB2 ALA 4 HB2 ALA 4 -4.024 7.782 0.401
25 HB3 ALA 4 HB3 ALA 4 -3.010 8.644 -0.757
26 H LEU 5 H LEU 5 -1.171 6.036 2.049
27 HA LEU 5 HA LEU 5 -3.198 5.407 3.889
28 HB2 LEU 5 HB2 LEU 5 -0.377 4.493 4.264
29 HB3 LEU 5 HB3 LEU 5 -1.880 3.614 4.543
30 HG LEU 5 HG LEU 5 -0.567 4.208 1.895
31 HD11 LEU 5 HD11 LEU 5 -0.263 1.873 1.721
32 HD12 LEU 5 HD12 LEU 5 -1.297 1.558 3.114
33 HD13 LEU 5 HD13 LEU 5 0.278 2.318 3.340
34 HD21 LEU 5 HD21 LEU 5 -2.701 4.332 1.164
35 HD22 LEU 5 HD22 LEU 5 -3.352 3.495 2.573
36 HD23 LEU 5 HD23 LEU 5 -2.602 2.575 1.267
37 H PHE 6 H PHE 6 -0.177 7.182 4.229
38 HA PHE 6 HA PHE 6 -0.114 7.340 7.031
39 HB2 PHE 6 HB2 PHE 6 1.870 7.962 5.946
40 HB3 PHE 6 HB3 PHE 6 1.033 9.044 4.838
41 HD1 PHE 6 HD2 PHE 6 0.112 11.205 5.712
42 HD2 PHE 6 HD1 PHE 6 2.722 8.734 7.992
43 HE1 PHE 6 HE2 PHE 6 0.626 13.109 7.183
44 HE2 PHE 6 HE1 PHE 6 3.239 10.633 9.467
45 HZ PHE 6 HZ PHE 6 2.191 12.825 9.063
46 H LYS 7 H LYS 7 -1.463 9.581 4.624
47 HA LYS 7 HA LYS 7 -2.522 11.355 6.609
48 HB2 LYS 7 HB2 LYS 7 -2.989 11.125 3.634
49 HB3 LYS 7 HB3 LYS 7 -3.711 12.377 4.636
50 HG2 LYS 7 HG2 LYS 7 -1.404 13.073 5.289
51 HG3 LYS 7 HG3 LYS 7 -0.786 11.933 4.094
52 HD2 LYS 7 HD2 LYS 7 -2.432 13.209 2.494
53 HD3 LYS 7 HD3 LYS 7 -2.271 14.490 3.696
54 HE2 LYS 7 HE2 LYS 7 -0.315 15.077 2.825
55 HE3 LYS 7 HE3 LYS 7 0.319 13.461 3.135
56 HZ1 LYS 7 HZ1 LYS 7 -1.165 13.068 0.932
57 HZ2 LYS 7 HZ2 LYS 7 0.498 13.375 0.920
58 HZ3 LYS 7 HZ3 LYS 7 -0.596 14.638 0.663
59 H GLU 8 H GLU 8 -3.659 8.540 4.927
60 HA GLU 8 HA GLU 8 -6.435 8.926 5.282
61 HB2 GLU 8 HB2 GLU 8 -5.408 7.280 3.714
62 HB3 GLU 8 HB3 GLU 8 -4.943 6.304 5.100
63 HG2 GLU 8 HG2 GLU 8 -7.079 5.618 5.516
64 HG3 GLU 8 HG3 GLU 8 -7.800 7.059 4.803
65 H ILE 9 H ILE 9 -3.971 7.322 7.249
66 HA ILE 9 HA ILE 9 -5.760 6.339 9.218
67 HB ILE 9 HB ILE 9 -2.795 6.882 9.352
68 HG12 ILE 9 HG12 ILE 9 -3.530 5.131 7.755
69 HG13 ILE 9 HG13 ILE 9 -2.570 4.479 9.079
70 HG21 ILE 9 HG21 ILE 9 -2.911 5.321 11.344
71 HG22 ILE 9 HG22 ILE 9 -3.528 6.954 11.590
72 HG23 ILE 9 HG23 ILE 9 -4.649 5.615 11.348
73 HD11 ILE 9 HD11 ILE 9 -4.191 3.073 9.599
74 HD12 ILE 9 HD12 ILE 9 -5.333 4.405 9.789
75 HD13 ILE 9 HD13 ILE 9 -5.105 3.657 8.208
76 H ASP 10 H ASP 10 -4.312 9.421 8.651
77 HA ASP 10 HA ASP 10 -4.624 10.408 11.330
78 HB2 ASP 10 HB2 ASP 10 -3.812 11.566 8.702
79 HB3 ASP 10 HB3 ASP 10 -4.351 12.669 9.965
80 H VAL 11 H VAL 11 -6.894 9.701 11.528
81 HA VAL 11 HA VAL 11 -8.985 10.803 10.011
82 HB VAL 11 HB VAL 11 -9.156 10.006 12.917
83 HG11 VAL 11 HG11 VAL 11 -11.464 9.215 11.764
84 HG12 VAL 11 HG12 VAL 11 -11.242 10.780 12.550
85 HG13 VAL 11 HG13 VAL 11 -11.098 10.643 10.797
86 HG21 VAL 11 HG21 VAL 11 -9.846 7.765 11.946
87 HG22 VAL 11 HG22 VAL 11 -9.142 8.319 10.427
88 HG23 VAL 11 HG23 VAL 11 -8.130 8.162 11.862
89 H ASN 12 H ASN 12 -6.963 12.192 12.395
90 HA ASN 12 HA ASN 12 -8.816 14.268 13.172
91 HB2 ASN 12 HB2 ASN 12 -6.683 15.213 14.273
92 HB3 ASN 12 HB3 ASN 12 -7.325 13.694 14.892
93 HD21 ASN 12 HD21 ASN 12 -5.234 13.275 15.735
94 HD22 ASN 12 HD22 ASN 12 -3.977 12.677 14.712
95 H GLY 13 H GLY 13 -7.151 13.713 10.417
96 HA2 GLY 13 HA2 GLY 13 -6.403 15.017 8.678
97 HA3 GLY 13 HA3 GLY 13 -7.615 16.160 9.234
98 H ASP 14 H ASP 14 -4.596 15.052 10.747
99 HA ASP 14 HA ASP 14 -3.793 17.872 10.974
100 HB2 ASP 14 HB2 ASP 14 -2.260 17.047 12.775
101 HB3 ASP 14 HB3 ASP 14 -3.969 16.806 13.124
102 H GLY 15 H GLY 15 -3.073 14.961 9.380
103 HA2 GLY 15 HA2 GLY 15 -1.466 14.459 7.813
104 HA3 GLY 15 HA3 GLY 15 -0.956 16.138 7.894
105 H ALA 16 H ALA 16 -0.988 14.622 10.921
106 HA ALA 16 HA ALA 16 1.843 13.867 10.711
107 HB1 ALA 16 HB1 ALA 16 1.837 14.925 13.180
108 HB2 ALA 16 HB2 ALA 16 2.293 15.829 11.735
109 HB3 ALA 16 HB3 ALA 16 0.664 15.984 12.394
110 H VAL 17 H VAL 17 2.453 12.130 11.923
111 HA VAL 17 HA VAL 17 0.388 10.908 13.636
112 HB VAL 17 HB VAL 17 1.220 8.693 12.946
113 HG11 VAL 17 HG11 VAL 17 0.523 10.136 10.423
114 HG12 VAL 17 HG12 VAL 17 -0.047 8.575 11.018
115 HG13 VAL 17 HG13 VAL 17 -0.637 10.067 11.749
116 HG21 VAL 17 HG21 VAL 17 3.305 8.673 12.119
117 HG22 VAL 17 HG22 VAL 17 2.530 9.047 10.579
118 HG23 VAL 17 HG23 VAL 17 3.205 10.345 11.565
119 H SER 18 H SER 18 1.007 10.751 15.678
120 HA SER 18 HA SER 18 3.796 11.050 16.394
121 HB2 SER 18 HB2 SER 18 2.405 10.545 18.739
122 HB3 SER 18 HB3 SER 18 2.768 12.138 18.076
123 HG SER 18 HG SER 18 0.722 12.385 17.725
124 H TYR 19 H TYR 19 4.431 9.598 18.411
125 HA TYR 19 HA TYR 19 5.074 7.097 17.517
126 HB2 TYR 19 HB2 TYR 19 5.451 6.481 19.887
127 HB3 TYR 19 HB3 TYR 19 6.111 8.064 19.489
128 HD1 TYR 19 HD2 TYR 19 4.918 10.119 20.252
129 HD2 TYR 19 HD1 TYR 19 3.757 6.232 21.535
130 HE1 TYR 19 HE2 TYR 19 3.661 11.116 22.116
131 HE2 TYR 19 HE1 TYR 19 2.497 7.218 23.403
132 HH TYR 19 HH TYR 19 2.372 10.739 23.878
133 H GLU 20 H GLU 20 2.232 7.999 19.440
134 HA GLU 20 HA GLU 20 1.178 5.437 19.804
135 HB2 GLU 20 HB2 GLU 20 0.254 8.180 20.095
136 HB3 GLU 20 HB3 GLU 20 -1.034 7.105 19.569
137 HG2 GLU 20 HG2 GLU 20 -0.060 5.601 21.521
138 HG3 GLU 20 HG3 GLU 20 0.462 7.173 22.123
139 H GLU 21 H GLU 21 0.535 7.816 17.240
140 HA GLU 21 HA GLU 21 -1.367 6.382 15.813
141 HB2 GLU 21 HB2 GLU 21 0.739 8.314 14.836
142 HB3 GLU 21 HB3 GLU 21 -0.567 7.705 13.830
143 HG2 GLU 21 HG2 GLU 21 -1.986 8.613 15.919
144 HG3 GLU 21 HG3 GLU 21 -0.610 9.712 15.982
145 H VAL 22 H VAL 22 2.163 6.258 15.620
146 HA VAL 22 HA VAL 22 2.369 4.547 13.407
147 HB VAL 22 HB VAL 22 4.229 4.921 15.754
148 HG11 VAL 22 HG11 VAL 22 4.895 2.852 14.952
149 HG12 VAL 22 HG12 VAL 22 4.484 3.253 13.283
150 HG13 VAL 22 HG13 VAL 22 5.913 3.962 14.036
151 HG21 VAL 22 HG21 VAL 22 3.596 6.593 13.619
152 HG22 VAL 22 HG22 VAL 22 4.977 6.738 14.706
153 HG23 VAL 22 HG23 VAL 22 5.142 5.863 13.183
154 H LYS 23 H LYS 23 2.538 3.762 16.882
155 HA LYS 23 HA LYS 23 2.730 1.005 16.650
156 HB2 LYS 23 HB2 LYS 23 2.176 2.908 18.736
157 HB3 LYS 23 HB3 LYS 23 1.127 1.508 18.916
158 HG2 LYS 23 HG2 LYS 23 4.051 1.120 18.465
159 HG3 LYS 23 HG3 LYS 23 3.452 1.549 20.069
160 HD2 LYS 23 HD2 LYS 23 2.426 -0.783 18.456
161 HD3 LYS 23 HD3 LYS 23 3.700 -0.910 19.671
162 HE2 LYS 23 HE2 LYS 23 1.308 0.480 20.613
163 HE3 LYS 23 HE3 LYS 23 1.011 -1.191 20.135
164 HZ1 LYS 23 HZ1 LYS 23 1.618 -1.436 22.314
165 HZ2 LYS 23 HZ2 LYS 23 2.718 -0.151 22.286
166 HZ3 LYS 23 HZ3 LYS 23 3.122 -1.625 21.562
167 H ALA 24 H ALA 24 -0.106 3.080 16.536
168 HA ALA 24 HA ALA 24 -2.045 1.018 16.666
169 HB1 ALA 24 HB1 ALA 24 -3.630 2.682 15.961
170 HB2 ALA 24 HB2 ALA 24 -2.510 3.411 17.113
171 HB3 ALA 24 HB3 ALA 24 -2.334 3.732 15.388
172 H PHE 25 H PHE 25 -0.434 2.653 13.972
173 HA PHE 25 HA PHE 25 -1.877 1.658 11.843
174 HB2 PHE 25 HB2 PHE 25 0.067 3.315 11.814
175 HB3 PHE 25 HB3 PHE 25 1.129 1.910 11.799
176 HD1 PHE 25 HD1 PHE 25 0.434 0.103 9.949
177 HD2 PHE 25 HD2 PHE 25 -0.433 4.267 9.796
178 HE1 PHE 25 HE1 PHE 25 0.217 -0.035 7.501
179 HE2 PHE 25 HE2 PHE 25 -0.652 4.136 7.349
180 HZ PHE 25 HZ PHE 25 -0.328 1.983 6.199
181 H VAL 26 H VAL 26 0.992 0.188 13.361
182 HA VAL 26 HA VAL 26 0.889 -2.178 11.787
183 HB VAL 26 HB VAL 26 2.820 -1.116 13.296
184 HG11 VAL 26 HG11 VAL 26 1.824 -3.369 15.026
185 HG12 VAL 26 HG12 VAL 26 3.170 -2.272 15.341
186 HG13 VAL 26 HG13 VAL 26 1.514 -1.669 15.375
187 HG21 VAL 26 HG21 VAL 26 2.695 -4.100 13.014
188 HG22 VAL 26 HG22 VAL 26 2.832 -3.046 11.606
189 HG23 VAL 26 HG23 VAL 26 4.086 -3.031 12.845
190 H SER 27 H SER 27 -0.567 -1.191 14.795
191 HA SER 27 HA SER 27 -1.231 -3.732 15.812
192 HB2 SER 27 HB2 SER 27 -2.154 -0.940 16.284
193 HB3 SER 27 HB3 SER 27 -3.202 -2.244 16.844
194 HG SER 27 HG SER 27 -0.581 -1.601 17.634
195 H LYS 28 H LYS 28 -2.555 -1.851 13.247
196 HA LYS 28 HA LYS 28 -5.140 -3.064 13.198
197 HB2 LYS 28 HB2 LYS 28 -3.575 -1.418 11.221
198 HB3 LYS 28 HB3 LYS 28 -5.144 -2.103 10.814
199 HG2 LYS 28 HG2 LYS 28 -4.635 -0.254 13.135
200 HG3 LYS 28 HG3 LYS 28 -5.255 0.248 11.560
201 HD2 LYS 28 HD2 LYS 28 -6.572 -1.729 13.423
202 HD3 LYS 28 HD3 LYS 28 -7.057 -0.047 13.200
203 HE2 LYS 28 HE2 LYS 28 -7.183 -0.764 10.673
204 HE3 LYS 28 HE3 LYS 28 -7.352 -2.378 11.363
205 HZ1 LYS 28 HZ1 LYS 28 -9.478 -1.938 11.714
206 HZ2 LYS 28 HZ2 LYS 28 -9.298 -0.365 11.120
207 HZ3 LYS 28 HZ3 LYS 28 -9.059 -0.681 12.765
208 H LYS 29 H LYS 29 -2.120 -4.261 12.517
209 HA LYS 29 HA LYS 29 -3.156 -6.171 10.531
210 HB2 LYS 29 HB2 LYS 29 -0.245 -5.768 11.178
211 HB3 LYS 29 HB3 LYS 29 -0.956 -6.488 9.740
212 HG2 LYS 29 HG2 LYS 29 -0.971 -3.579 10.512
213 HG3 LYS 29 HG3 LYS 29 -0.087 -4.330 9.181
214 HD2 LYS 29 HD2 LYS 29 -3.091 -4.194 9.446
215 HD3 LYS 29 HD3 LYS 29 -2.104 -3.176 8.396
216 HE2 LYS 29 HE2 LYS 29 -1.275 -5.325 7.335
217 HE3 LYS 29 HE3 LYS 29 -2.563 -6.144 8.216
218 HZ1 LYS 29 HZ1 LYS 29 -2.968 -5.321 5.811
219 HZ2 LYS 29 HZ2 LYS 29 -3.206 -3.814 6.540
220 HZ3 LYS 29 HZ3 LYS 29 -4.184 -5.126 6.971
221 H ARG 30 H ARG 30 -1.923 -5.813 13.727
222 HA ARG 30 HA ARG 30 -2.700 -8.397 14.516
223 HB2 ARG 30 HB2 ARG 30 -0.431 -9.313 15.044
224 HB3 ARG 30 HB3 ARG 30 -0.794 -9.226 13.326
225 HG2 ARG 30 HG2 ARG 30 0.420 -6.805 13.854
226 HG3 ARG 30 HG3 ARG 30 1.318 -7.954 14.848
227 HD2 ARG 30 HD2 ARG 30 0.890 -7.998 11.873
228 HD3 ARG 30 HD3 ARG 30 2.412 -7.896 12.754
229 HE ARG 30 HE ARG 30 1.393 -10.270 13.552
230 HH11 ARG 30 HH11 ARG 30 1.972 -8.840 10.432
231 HH12 ARG 30 HH12 ARG 30 2.258 -10.356 9.644
232 HH21 ARG 30 HH21 ARG 30 1.769 -12.273 12.527
233 HH22 ARG 30 HH22 ARG 30 2.142 -12.309 10.837
234 H ALA 31 H ALA 31 -1.271 -8.908 16.713
235 HA ALA 31 HA ALA 31 -1.439 -6.406 18.264
236 HB1 ALA 31 HB1 ALA 31 -2.005 -9.231 19.158
237 HB2 ALA 31 HB2 ALA 31 -2.025 -7.809 20.203
238 HB3 ALA 31 HB3 ALA 31 -3.191 -7.953 18.887
239 H ILE 32 H ILE 32 0.694 -5.790 18.192
240 HA ILE 32 HA ILE 32 2.559 -7.541 19.637
241 HB ILE 32 HB ILE 32 4.388 -6.618 18.133
242 HG12 ILE 32 HG12 ILE 32 2.485 -6.305 15.919
243 HG13 ILE 32 HG13 ILE 32 2.364 -5.044 17.142
244 HG21 ILE 32 HG21 ILE 32 4.039 -8.325 16.439
245 HG22 ILE 32 HG22 ILE 32 3.577 -8.929 18.029
246 HG23 ILE 32 HG23 ILE 32 2.335 -8.436 16.879
247 HD11 ILE 32 HD11 ILE 32 4.137 -5.134 15.031
248 HD12 ILE 32 HD12 ILE 32 4.222 -4.067 16.433
249 HD13 ILE 32 HD13 ILE 32 5.112 -5.590 16.428
250 H LYS 33 H LYS 33 2.688 -6.446 21.515
251 HA LYS 33 HA LYS 33 2.850 -3.557 21.562
252 HB2 LYS 33 HB2 LYS 33 3.309 -5.285 23.966
253 HB3 LYS 33 HB3 LYS 33 2.555 -3.699 23.866
254 HG2 LYS 33 HG2 LYS 33 0.651 -4.850 24.112
255 HG3 LYS 33 HG3 LYS 33 0.834 -5.174 22.386
256 HD2 LYS 33 HD2 LYS 33 0.801 -7.342 22.903
257 HD3 LYS 33 HD3 LYS 33 2.398 -7.109 23.618
258 HE2 LYS 33 HE2 LYS 33 0.028 -6.419 25.267
259 HE3 LYS 33 HE3 LYS 33 0.360 -8.128 24.988
260 HZ1 LYS 33 HZ1 LYS 33 2.361 -6.208 26.044
261 HZ2 LYS 33 HZ2 LYS 33 2.515 -7.889 25.940
262 HZ3 LYS 33 HZ3 LYS 33 1.405 -7.207 27.020
263 H ASN 34 H ASN 34 4.740 -2.726 20.901
264 HA ASN 34 HA ASN 34 7.196 -3.785 22.137
265 HB2 ASN 34 HB2 ASN 34 6.837 -2.676 19.346
266 HB3 ASN 34 HB3 ASN 34 8.397 -3.048 20.074
267 HD21 ASN 34 HD21 ASN 34 8.406 -5.351 21.075
268 HD22 ASN 34 HD22 ASN 34 7.813 -6.594 20.031
269 H GLU 35 H GLU 35 7.528 -2.346 23.744
270 HA GLU 35 HA GLU 35 7.020 0.456 23.453
271 HB2 GLU 35 HB2 GLU 35 7.319 -1.250 25.592
272 HB3 GLU 35 HB3 GLU 35 8.814 -0.328 25.633
273 HG2 GLU 35 HG2 GLU 35 5.999 0.651 25.896
274 HG3 GLU 35 HG3 GLU 35 7.353 0.856 27.006
275 H GLN 36 H GLN 36 9.924 -1.572 23.507
276 HA GLN 36 HA GLN 36 11.744 0.605 23.254
277 HB2 GLN 36 HB2 GLN 36 12.030 -1.984 23.962
278 HB3 GLN 36 HB3 GLN 36 12.575 -2.067 22.292
279 HG2 GLN 36 HG2 GLN 36 13.854 0.165 23.344
280 HG3 GLN 36 HG3 GLN 36 13.923 -1.045 24.624
281 HE21 GLN 36 HE21 GLN 36 14.167 -1.087 21.081
282 HE22 GLN 36 HE22 GLN 36 15.637 -1.993 21.023
283 H LEU 37 H LEU 37 10.523 -1.823 20.956
284 HA LEU 37 HA LEU 37 11.884 -0.893 18.699
285 HB2 LEU 37 HB2 LEU 37 10.380 -3.015 19.144
286 HB3 LEU 37 HB3 LEU 37 9.134 -2.000 18.422
287 HG LEU 37 HG LEU 37 10.597 -1.763 16.412
288 HD11 LEU 37 HD11 LEU 37 12.255 -3.888 16.436
289 HD12 LEU 37 HD12 LEU 37 12.370 -3.376 18.119
290 HD13 LEU 37 HD13 LEU 37 12.757 -2.243 16.825
291 HD21 LEU 37 HD21 LEU 37 9.000 -3.943 17.243
292 HD22 LEU 37 HD22 LEU 37 10.370 -4.600 16.347
293 HD23 LEU 37 HD23 LEU 37 9.328 -3.388 15.601
294 H LEU 38 H LEU 38 8.701 -0.019 19.987
295 HA LEU 38 HA LEU 38 7.882 1.664 17.912
296 HB2 LEU 38 HB2 LEU 38 6.362 0.906 19.633
297 HB3 LEU 38 HB3 LEU 38 7.269 1.787 20.861
298 HG LEU 38 HG LEU 38 5.030 2.752 19.981
299 HD11 LEU 38 HD11 LEU 38 7.277 3.848 21.151
300 HD12 LEU 38 HD12 LEU 38 5.692 4.610 21.012
301 HD13 LEU 38 HD13 LEU 38 6.935 4.932 19.802
302 HD21 LEU 38 HD21 LEU 38 6.690 4.116 17.937
303 HD22 LEU 38 HD22 LEU 38 4.958 3.784 17.956
304 HD23 LEU 38 HD23 LEU 38 6.099 2.497 17.561
305 H GLN 39 H GLN 39 9.709 2.386 20.866
306 HA GLN 39 HA GLN 39 9.890 5.162 20.501
307 HB2 GLN 39 HB2 GLN 39 10.863 3.256 22.341
308 HB3 GLN 39 HB3 GLN 39 12.266 4.137 21.753
309 HG2 GLN 39 HG2 GLN 39 9.925 5.760 22.515
310 HG3 GLN 39 HG3 GLN 39 10.774 4.937 23.823
311 HE21 GLN 39 HE21 GLN 39 11.747 6.600 20.838
312 HE22 GLN 39 HE22 GLN 39 12.906 7.636 21.593
313 H LEU 40 H LEU 40 12.214 2.595 19.661
314 HA LEU 40 HA LEU 40 14.106 4.270 18.442
315 HB2 LEU 40 HB2 LEU 40 14.000 1.641 19.074
316 HB3 LEU 40 HB3 LEU 40 13.804 1.562 17.325
317 HG LEU 40 HG LEU 40 16.132 2.729 18.846
318 HD11 LEU 40 HD11 LEU 40 15.545 0.128 17.836
319 HD12 LEU 40 HD12 LEU 40 16.986 0.694 18.678
320 HD13 LEU 40 HD13 LEU 40 16.888 0.814 16.921
321 HD21 LEU 40 HD21 LEU 40 15.259 3.029 16.029
322 HD22 LEU 40 HD22 LEU 40 16.977 2.764 16.325
323 HD23 LEU 40 HD23 LEU 40 16.156 4.140 17.064
324 H ILE 41 H ILE 41 11.549 2.271 16.970
325 HA ILE 41 HA ILE 41 11.990 3.064 14.322
326 HB ILE 41 HB ILE 41 9.703 1.842 15.780
327 HG12 ILE 41 HG12 ILE 41 10.001 0.094 14.108
328 HG13 ILE 41 HG13 ILE 41 11.139 1.103 13.221
329 HG21 ILE 41 HG21 ILE 41 9.492 3.188 13.105
330 HG22 ILE 41 HG22 ILE 41 8.433 1.859 13.572
331 HG23 ILE 41 HG23 ILE 41 8.437 3.354 14.507
332 HD11 ILE 41 HD11 ILE 41 12.331 -0.562 14.474
333 HD12 ILE 41 HD12 ILE 41 12.657 1.030 15.159
334 HD13 ILE 41 HD13 ILE 41 11.532 -0.063 15.964
335 H PHE 42 H PHE 42 10.211 4.576 16.925
336 HA PHE 42 HA PHE 42 8.738 6.418 15.364
337 HB2 PHE 42 HB2 PHE 42 8.036 6.022 17.616
338 HB3 PHE 42 HB3 PHE 42 9.618 6.460 18.252
339 HD1 PHE 42 HD1 PHE 42 6.878 7.941 16.197
340 HD2 PHE 42 HD2 PHE 42 9.862 8.547 19.171
341 HE1 PHE 42 HE1 PHE 42 6.112 10.261 16.488
342 HE2 PHE 42 HE2 PHE 42 9.100 10.868 19.468
343 HZ PHE 42 HZ PHE 42 7.221 11.727 18.127
344 H LYS 43 H LYS 43 11.944 6.518 16.816
345 HA LYS 43 HA LYS 43 12.421 9.268 16.208
346 HB2 LYS 43 HB2 LYS 43 13.579 7.910 18.006
347 HB3 LYS 43 HB3 LYS 43 14.500 7.140 16.719
348 HG2 LYS 43 HG2 LYS 43 15.924 8.833 16.643
349 HG3 LYS 43 HG3 LYS 43 14.612 9.998 16.453
350 HD2 LYS 43 HD2 LYS 43 15.804 10.576 18.437
351 HD3 LYS 43 HD3 LYS 43 14.264 9.872 18.933
352 HE2 LYS 43 HE2 LYS 43 15.629 8.709 20.326
353 HE3 LYS 43 HE3 LYS 43 15.733 7.653 18.919
354 HZ1 LYS 43 HZ1 LYS 43 17.773 8.798 18.273
355 HZ2 LYS 43 HZ2 LYS 43 17.919 8.105 19.809
356 HZ3 LYS 43 HZ3 LYS 43 17.679 9.773 19.652
357 H SER 44 H SER 44 13.245 6.194 14.666
358 HA SER 44 HA SER 44 14.800 7.375 12.585
359 HB2 SER 44 HB2 SER 44 13.934 4.690 13.356
360 HB3 SER 44 HB3 SER 44 13.974 4.925 11.609
361 HG SER 44 HG SER 44 16.147 5.859 13.081
362 H ILE 45 H ILE 45 11.458 6.245 12.851
363 HA ILE 45 HA ILE 45 10.758 6.661 10.145
364 HB ILE 45 HB ILE 45 9.466 5.309 11.866
365 HG12 ILE 45 HG12 ILE 45 7.397 7.003 10.696
366 HG13 ILE 45 HG13 ILE 45 8.666 6.597 9.545
367 HG21 ILE 45 HG21 ILE 45 8.355 8.022 12.570
368 HG22 ILE 45 HG22 ILE 45 7.792 6.469 13.184
369 HG23 ILE 45 HG23 ILE 45 9.404 7.050 13.599
370 HD11 ILE 45 HD11 ILE 45 8.268 4.173 10.490
371 HD12 ILE 45 HD12 ILE 45 6.688 4.846 10.889
372 HD13 ILE 45 HD13 ILE 45 7.252 4.850 9.218
373 H ASP 46 H ASP 46 10.901 8.774 12.921
374 HA ASP 46 HA ASP 46 9.567 10.932 11.481
375 HB2 ASP 46 HB2 ASP 46 9.343 10.312 14.038
376 HB3 ASP 46 HB3 ASP 46 10.793 11.303 14.182
377 H ALA 47 H ALA 47 10.659 12.347 10.301
378 HA ALA 47 HA ALA 47 13.450 12.308 10.008
379 HB1 ALA 47 HB1 ALA 47 11.798 13.130 8.319
380 HB2 ALA 47 HB2 ALA 47 11.634 14.598 9.282
381 HB3 ALA 47 HB3 ALA 47 13.190 14.186 8.562
382 H ASP 48 H ASP 48 11.326 14.503 11.810
383 HA ASP 48 HA ASP 48 13.711 15.710 13.040
384 HB2 ASP 48 HB2 ASP 48 12.186 17.570 13.689
385 HB3 ASP 48 HB3 ASP 48 12.316 17.354 11.946
386 H GLY 49 H GLY 49 11.054 13.663 13.614
387 HA2 GLY 49 HA2 GLY 49 10.282 12.609 15.501
388 HA3 GLY 49 HA3 GLY 49 11.853 12.968 16.201
389 H ASN 50 H ASN 50 9.584 15.411 15.108
390 HA ASN 50 HA ASN 50 9.575 16.569 17.767
391 HB2 ASN 50 HB2 ASN 50 8.379 18.447 16.689
392 HB3 ASN 50 HB3 ASN 50 9.885 18.058 15.863
393 HD21 ASN 50 HD21 ASN 50 7.953 19.515 14.611
394 HD22 ASN 50 HD22 ASN 50 7.243 18.580 13.343
395 H GLY 51 H GLY 51 8.358 14.859 18.794
396 HA2 GLY 51 HA2 GLY 51 6.406 14.138 19.776
397 HA3 GLY 51 HA3 GLY 51 5.588 15.471 18.976
398 H GLU 52 H GLU 52 6.020 14.858 16.318
399 HA GLU 52 HA GLU 52 5.164 12.129 15.853
400 HB2 GLU 52 HB2 GLU 52 3.152 13.001 14.519
401 HB3 GLU 52 HB3 GLU 52 3.011 12.957 16.271
402 HG2 GLU 52 HG2 GLU 52 2.136 15.024 15.140
403 HG3 GLU 52 HG3 GLU 52 3.277 15.286 16.458
404 H ILE 53 H ILE 53 4.840 11.725 13.476
405 HA ILE 53 HA ILE 53 6.902 13.187 12.002
406 HB ILE 53 HB ILE 53 5.545 10.713 10.990
407 HG12 ILE 53 HG12 ILE 53 7.930 9.904 12.209
408 HG13 ILE 53 HG13 ILE 53 7.148 10.943 13.395
409 HG21 ILE 53 HG21 ILE 53 7.914 10.385 10.089
410 HG22 ILE 53 HG22 ILE 53 6.941 11.671 9.377
411 HG23 ILE 53 HG23 ILE 53 8.190 12.062 10.559
412 HD11 ILE 53 HD11 ILE 53 6.139 9.031 13.990
413 HD12 ILE 53 HD12 ILE 53 5.063 9.419 12.647
414 HD13 ILE 53 HD13 ILE 53 6.391 8.281 12.413
415 H ASP 54 H ASP 54 6.453 14.496 10.347
416 HA ASP 54 HA ASP 54 3.695 15.001 9.659
417 HB2 ASP 54 HB2 ASP 54 6.072 16.272 8.322
418 HB3 ASP 54 HB3 ASP 54 4.461 16.941 8.569
419 H GLN 55 H GLN 55 2.955 15.115 7.420
420 HA GLN 55 HA GLN 55 3.223 12.728 6.050
421 HB2 GLN 55 HB2 GLN 55 2.207 13.946 4.110
422 HB3 GLN 55 HB3 GLN 55 1.334 14.133 5.625
423 HG2 GLN 55 HG2 GLN 55 2.580 16.314 5.917
424 HG3 GLN 55 HG3 GLN 55 3.097 16.131 4.242
425 HE21 GLN 55 HE21 GLN 55 2.007 17.795 3.349
426 HE22 GLN 55 HE22 GLN 55 0.284 17.921 3.310
427 H ASN 56 H ASN 56 4.867 15.815 5.448
428 HA ASN 56 HA ASN 56 6.269 15.063 3.151
429 HB2 ASN 56 HB2 ASN 56 6.048 17.363 4.554
430 HB3 ASN 56 HB3 ASN 56 7.666 16.866 5.039
431 HD21 ASN 56 HD21 ASN 56 7.427 19.153 3.683
432 HD22 ASN 56 HD22 ASN 56 8.007 18.978 2.064
433 H GLU 57 H GLU 57 7.273 14.937 6.563
434 HA GLU 57 HA GLU 57 9.829 13.890 6.155
435 HB2 GLU 57 HB2 GLU 57 8.010 13.353 8.509
436 HB3 GLU 57 HB3 GLU 57 9.763 13.213 8.487
437 HG2 GLU 57 HG2 GLU 57 10.061 15.533 8.361
438 HG3 GLU 57 HG3 GLU 57 8.380 15.808 7.909
439 H PHE 58 H PHE 58 6.722 12.252 6.596
440 HA PHE 58 HA PHE 58 7.707 9.623 6.679
441 HB2 PHE 58 HB2 PHE 58 5.349 10.481 7.236
442 HB3 PHE 58 HB3 PHE 58 5.035 10.373 5.507
443 HD1 PHE 58 HD2 PHE 58 5.166 8.162 4.375
444 HD2 PHE 58 HD1 PHE 58 5.359 8.564 8.608
445 HE1 PHE 58 HE2 PHE 58 4.627 5.775 4.622
446 HE2 PHE 58 HE1 PHE 58 4.822 6.177 8.862
447 HZ PHE 58 HZ PHE 58 4.454 4.778 6.868
448 H ALA 59 H ALA 59 6.641 11.640 3.973
449 HA ALA 59 HA ALA 59 6.831 9.696 1.958
450 HB1 ALA 59 HB1 ALA 59 7.371 11.962 0.600
451 HB2 ALA 59 HB2 ALA 59 5.749 11.475 1.097
452 HB3 ALA 59 HB3 ALA 59 6.659 12.633 2.068
453 H LYS 60 H LYS 60 9.188 12.164 2.982
454 HA LYS 60 HA LYS 60 11.230 11.390 1.209
455 HB2 LYS 60 HB2 LYS 60 11.494 12.715 3.915
456 HB3 LYS 60 HB3 LYS 60 12.726 12.682 2.661
457 HG2 LYS 60 HG2 LYS 60 10.066 13.805 1.974
458 HG3 LYS 60 HG3 LYS 60 11.141 14.759 2.999
459 HD2 LYS 60 HD2 LYS 60 12.035 13.558 0.388
460 HD3 LYS 60 HD3 LYS 60 11.298 15.158 0.493
461 HE2 LYS 60 HE2 LYS 60 13.212 16.063 1.178
462 HE3 LYS 60 HE3 LYS 60 13.379 14.866 2.462
463 HZ1 LYS 60 HZ1 LYS 60 15.155 14.223 1.287
464 HZ2 LYS 60 HZ2 LYS 60 14.631 14.964 -0.139
465 HZ3 LYS 60 HZ3 LYS 60 14.037 13.439 0.288
466 H PHE 61 H PHE 61 10.196 10.117 4.270
467 HA PHE 61 HA PHE 61 12.595 8.619 4.771
468 HB2 PHE 61 HB2 PHE 61 11.345 9.214 6.697
469 HB3 PHE 61 HB3 PHE 61 9.845 8.610 6.004
470 HD1 PHE 61 HD1 PHE 61 13.207 7.037 6.287
471 HD2 PHE 61 HD2 PHE 61 9.096 6.921 7.384
472 HE1 PHE 61 HE1 PHE 61 13.570 4.874 7.403
473 HE2 PHE 61 HE2 PHE 61 9.451 4.759 8.502
474 HZ PHE 61 HZ PHE 61 11.690 3.733 8.513
475 H TYR 62 H TYR 62 9.482 8.013 3.272
476 HA TYR 62 HA TYR 62 9.645 5.208 3.122
477 HB2 TYR 62 HB2 TYR 62 7.534 6.281 2.739
478 HB3 TYR 62 HB3 TYR 62 8.189 7.220 1.402
479 HD1 TYR 62 HD2 TYR 62 8.552 6.198 -0.779
480 HD2 TYR 62 HD1 TYR 62 6.941 3.945 2.451
481 HE1 TYR 62 HE2 TYR 62 7.840 4.453 -2.359
482 HE2 TYR 62 HE1 TYR 62 6.227 2.192 0.880
483 HH TYR 62 HH TYR 62 6.288 1.471 -1.226
484 H GLY 63 H GLY 63 11.048 3.990 2.054
485 HA2 GLY 63 HA2 GLY 63 12.114 3.202 0.108
486 HA3 GLY 63 HA3 GLY 63 11.904 4.787 -0.622
487 H SER 64 H SER 64 13.028 5.245 2.456
488 HA SER 64 HA SER 64 15.724 5.747 1.455
489 HB2 SER 64 HB2 SER 64 14.570 7.563 2.653
490 HB3 SER 64 HB3 SER 64 14.436 6.536 4.080
491 HG SER 64 HG SER 64 16.552 6.729 4.445
492 H ILE 65 H ILE 65 14.643 3.038 2.145
493 HA ILE 65 HA ILE 65 16.274 2.287 4.444
494 HB ILE 65 HB ILE 65 13.928 1.383 4.048
495 HG12 ILE 65 HG12 ILE 65 15.946 -0.832 4.271
496 HG13 ILE 65 HG13 ILE 65 15.834 0.405 5.518
497 HG21 ILE 65 HG21 ILE 65 14.786 0.839 1.557
498 HG22 ILE 65 HG22 ILE 65 15.050 -0.727 2.322
499 HG23 ILE 65 HG23 ILE 65 13.443 -0.001 2.331
500 HD11 ILE 65 HD11 ILE 65 13.225 -0.605 4.923
501 HD12 ILE 65 HD12 ILE 65 14.325 -1.938 5.277
502 HD13 ILE 65 HD13 ILE 65 14.118 -0.631 6.444
503 H GLN 66 H GLN 66 17.224 3.065 1.612
504 HA GLN 66 HA GLN 66 18.347 0.861 0.334
505 HB2 GLN 66 HB2 GLN 66 20.054 2.546 -0.514
506 HB3 GLN 66 HB3 GLN 66 18.364 2.914 -0.832
507 HG2 GLN 66 HG2 GLN 66 18.524 4.846 0.229
508 HG3 GLN 66 HG3 GLN 66 19.156 4.056 1.673
509 HE21 GLN 66 HE21 GLN 66 19.875 6.617 0.486
510 HE22 GLN 66 HE22 GLN 66 21.570 6.538 0.163
Start of MODEL 8
1 H1 MET 1 H MET 1 -1.159 4.567 -1.060
2 HA MET 1 HA MET 1 -0.908 2.741 -3.226
3 HB2 MET 1 HB2 MET 1 -0.253 5.619 -3.873
4 HB3 MET 1 HB3 MET 1 -0.106 4.232 -4.945
5 HG2 MET 1 HG2 MET 1 -2.720 5.173 -3.800
6 HG3 MET 1 HG3 MET 1 -2.083 5.711 -5.352
7 HE1 MET 1 HE1 MET 1 -1.175 2.788 -7.038
8 HE2 MET 1 HE2 MET 1 -2.698 3.245 -7.801
9 HE3 MET 1 HE3 MET 1 -1.605 4.491 -7.200
10 H ALA 2 H ALA 2 0.615 5.471 -1.546
11 HA ALA 2 HA ALA 2 2.905 3.783 -0.934
12 HB1 ALA 2 HB1 ALA 2 4.421 5.758 -1.633
13 HB2 ALA 2 HB2 ALA 2 3.818 4.662 -2.876
14 HB3 ALA 2 HB3 ALA 2 3.056 6.236 -2.642
15 H GLU 3 H GLU 3 2.423 7.306 -0.849
16 HA GLU 3 HA GLU 3 3.011 7.267 2.011
17 HB2 GLU 3 HB2 GLU 3 3.238 9.709 1.781
18 HB3 GLU 3 HB3 GLU 3 4.277 8.841 0.660
19 HG2 GLU 3 HG2 GLU 3 1.614 9.616 -0.346
20 HG3 GLU 3 HG3 GLU 3 2.762 10.920 -0.050
21 H ALA 4 H ALA 4 0.377 7.661 -0.161
22 HA ALA 4 HA ALA 4 -1.374 9.283 1.235
23 HB1 ALA 4 HB1 ALA 4 -3.039 7.382 0.180
24 HB2 ALA 4 HB2 ALA 4 -2.412 8.788 -0.681
25 HB3 ALA 4 HB3 ALA 4 -1.597 7.230 -0.826
26 H LEU 5 H LEU 5 -0.324 6.063 1.955
27 HA LEU 5 HA LEU 5 -2.442 5.224 3.602
28 HB2 LEU 5 HB2 LEU 5 0.398 4.466 4.151
29 HB3 LEU 5 HB3 LEU 5 -1.062 3.487 4.286
30 HG LEU 5 HG LEU 5 0.388 4.275 1.764
31 HD11 LEU 5 HD11 LEU 5 0.104 1.592 1.721
32 HD12 LEU 5 HD12 LEU 5 0.253 1.874 3.455
33 HD13 LEU 5 HD13 LEU 5 1.520 2.427 2.360
34 HD21 LEU 5 HD21 LEU 5 -1.409 2.679 0.777
35 HD22 LEU 5 HD22 LEU 5 -1.809 4.374 1.056
36 HD23 LEU 5 HD23 LEU 5 -2.343 3.142 2.200
37 H PHE 6 H PHE 6 0.455 7.122 4.272
38 HA PHE 6 HA PHE 6 0.244 7.164 7.074
39 HB2 PHE 6 HB2 PHE 6 2.306 7.887 6.252
40 HB3 PHE 6 HB3 PHE 6 1.567 8.947 5.056
41 HD1 PHE 6 HD1 PHE 6 0.528 11.087 5.793
42 HD2 PHE 6 HD2 PHE 6 2.840 8.656 8.413
43 HE1 PHE 6 HE1 PHE 6 0.802 12.998 7.318
44 HE2 PHE 6 HE2 PHE 6 3.117 10.563 9.943
45 HZ PHE 6 HZ PHE 6 2.097 12.737 9.396
46 H LYS 7 H LYS 7 -0.951 9.434 4.617
47 HA LYS 7 HA LYS 7 -2.221 11.142 6.526
48 HB2 LYS 7 HB2 LYS 7 -2.548 10.917 3.529
49 HB3 LYS 7 HB3 LYS 7 -3.268 12.182 4.516
50 HG2 LYS 7 HG2 LYS 7 -0.988 12.861 5.216
51 HG3 LYS 7 HG3 LYS 7 -0.332 11.672 4.089
52 HD2 LYS 7 HD2 LYS 7 -0.533 13.118 2.412
53 HD3 LYS 7 HD3 LYS 7 -2.263 13.275 2.726
54 HE2 LYS 7 HE2 LYS 7 -0.536 14.722 4.606
55 HE3 LYS 7 HE3 LYS 7 -0.447 15.293 2.941
56 HZ1 LYS 7 HZ1 LYS 7 -2.802 15.636 2.923
57 HZ2 LYS 7 HZ2 LYS 7 -2.161 16.424 4.275
58 HZ3 LYS 7 HZ3 LYS 7 -2.974 14.953 4.461
59 H GLU 8 H GLU 8 -3.140 8.298 4.766
60 HA GLU 8 HA GLU 8 -5.949 8.591 4.949
61 HB2 GLU 8 HB2 GLU 8 -4.764 7.011 3.417
62 HB3 GLU 8 HB3 GLU 8 -4.369 6.019 4.813
63 HG2 GLU 8 HG2 GLU 8 -6.364 5.052 4.804
64 HG3 GLU 8 HG3 GLU 8 -7.196 6.601 4.687
65 H ILE 9 H ILE 9 -3.556 7.001 7.018
66 HA ILE 9 HA ILE 9 -5.431 5.939 8.863
67 HB ILE 9 HB ILE 9 -2.492 6.548 9.196
68 HG12 ILE 9 HG12 ILE 9 -3.068 4.848 7.483
69 HG13 ILE 9 HG13 ILE 9 -2.178 4.166 8.839
70 HG21 ILE 9 HG21 ILE 9 -3.416 6.508 11.380
71 HG22 ILE 9 HG22 ILE 9 -4.422 5.110 11.002
72 HG23 ILE 9 HG23 ILE 9 -2.672 4.931 11.120
73 HD11 ILE 9 HD11 ILE 9 -5.042 4.030 9.238
74 HD12 ILE 9 HD12 ILE 9 -4.525 3.208 7.765
75 HD13 ILE 9 HD13 ILE 9 -3.823 2.758 9.319
76 H ASP 10 H ASP 10 -4.038 9.064 8.435
77 HA ASP 10 HA ASP 10 -4.522 9.980 11.118
78 HB2 ASP 10 HB2 ASP 10 -3.763 11.381 8.557
79 HB3 ASP 10 HB3 ASP 10 -4.068 12.256 10.055
80 H VAL 11 H VAL 11 -6.787 9.247 11.166
81 HA VAL 11 HA VAL 11 -8.808 10.297 9.544
82 HB VAL 11 HB VAL 11 -9.112 9.577 12.459
83 HG11 VAL 11 HG11 VAL 11 -11.349 8.723 11.193
84 HG12 VAL 11 HG12 VAL 11 -11.193 10.293 11.984
85 HG13 VAL 11 HG13 VAL 11 -10.955 10.154 10.241
86 HG21 VAL 11 HG21 VAL 11 -8.914 7.837 10.020
87 HG22 VAL 11 HG22 VAL 11 -8.033 7.707 11.542
88 HG23 VAL 11 HG23 VAL 11 -9.749 7.304 11.481
89 H ASN 12 H ASN 12 -6.941 11.773 12.008
90 HA ASN 12 HA ASN 12 -8.859 13.850 12.609
91 HB2 ASN 12 HB2 ASN 12 -6.812 14.845 13.819
92 HB3 ASN 12 HB3 ASN 12 -7.477 13.336 14.436
93 HD21 ASN 12 HD21 ASN 12 -5.463 12.914 15.419
94 HD22 ASN 12 HD22 ASN 12 -4.128 12.323 14.495
95 H GLY 13 H GLY 13 -6.993 13.238 9.991
96 HA2 GLY 13 HA2 GLY 13 -6.115 14.506 8.285
97 HA3 GLY 13 HA3 GLY 13 -7.417 15.619 8.683
98 H ASP 14 H ASP 14 -4.563 14.711 10.585
99 HA ASP 14 HA ASP 14 -3.894 17.559 10.784
100 HB2 ASP 14 HB2 ASP 14 -2.439 16.817 12.689
101 HB3 ASP 14 HB3 ASP 14 -4.156 16.507 12.926
102 H GLY 15 H GLY 15 -2.885 14.670 9.294
103 HA2 GLY 15 HA2 GLY 15 -1.148 14.251 7.847
104 HA3 GLY 15 HA3 GLY 15 -0.750 15.961 7.932
105 H ALA 16 H ALA 16 -0.910 14.335 10.935
106 HA ALA 16 HA ALA 16 1.999 13.909 10.952
107 HB1 ALA 16 HB1 ALA 16 1.949 15.944 12.038
108 HB2 ALA 16 HB2 ALA 16 0.392 15.619 12.801
109 HB3 ALA 16 HB3 ALA 16 1.847 14.811 13.387
110 H VAL 17 H VAL 17 2.697 12.162 12.095
111 HA VAL 17 HA VAL 17 0.657 10.613 13.554
112 HB VAL 17 HB VAL 17 2.766 9.614 11.647
113 HG11 VAL 17 HG11 VAL 17 3.003 7.770 12.859
114 HG12 VAL 17 HG12 VAL 17 1.848 8.367 14.052
115 HG13 VAL 17 HG13 VAL 17 1.282 7.446 12.658
116 HG21 VAL 17 HG21 VAL 17 1.051 8.945 10.298
117 HG22 VAL 17 HG22 VAL 17 -0.067 8.715 11.642
118 HG23 VAL 17 HG23 VAL 17 0.287 10.341 11.059
119 H SER 18 H SER 18 1.158 10.628 15.641
120 HA SER 18 HA SER 18 3.904 10.947 16.512
121 HB2 SER 18 HB2 SER 18 2.330 10.506 18.773
122 HB3 SER 18 HB3 SER 18 2.818 12.072 18.125
123 HG SER 18 HG SER 18 0.870 12.364 17.325
124 H TYR 19 H TYR 19 4.457 9.554 18.565
125 HA TYR 19 HA TYR 19 5.060 7.001 17.769
126 HB2 TYR 19 HB2 TYR 19 5.432 6.485 20.160
127 HB3 TYR 19 HB3 TYR 19 6.116 8.040 19.699
128 HD1 TYR 19 HD2 TYR 19 4.935 10.143 20.365
129 HD2 TYR 19 HD1 TYR 19 3.754 6.327 21.829
130 HE1 TYR 19 HE2 TYR 19 3.695 11.233 22.187
131 HE2 TYR 19 HE1 TYR 19 2.508 7.406 23.655
132 HH TYR 19 HH TYR 19 2.950 10.398 24.664
133 H GLU 20 H GLU 20 2.249 8.046 19.669
134 HA GLU 20 HA GLU 20 1.140 5.508 20.098
135 HB2 GLU 20 HB2 GLU 20 0.121 8.302 20.157
136 HB3 GLU 20 HB3 GLU 20 -1.068 7.009 20.097
137 HG2 GLU 20 HG2 GLU 20 0.822 6.289 22.057
138 HG3 GLU 20 HG3 GLU 20 0.419 7.984 22.322
139 H GLU 21 H GLU 21 0.504 7.891 17.538
140 HA GLU 21 HA GLU 21 -1.468 6.486 16.167
141 HB2 GLU 21 HB2 GLU 21 0.483 8.613 15.454
142 HB3 GLU 21 HB3 GLU 21 -0.298 7.764 14.127
143 HG2 GLU 21 HG2 GLU 21 -2.359 8.382 15.890
144 HG3 GLU 21 HG3 GLU 21 -1.333 9.815 15.861
145 H VAL 22 H VAL 22 2.044 6.256 15.972
146 HA VAL 22 HA VAL 22 2.191 4.579 13.715
147 HB VAL 22 HB VAL 22 4.078 4.930 16.042
148 HG11 VAL 22 HG11 VAL 22 5.619 3.909 14.063
149 HG12 VAL 22 HG12 VAL 22 4.939 2.957 15.385
150 HG13 VAL 22 HG13 VAL 22 4.124 3.006 13.820
151 HG21 VAL 22 HG21 VAL 22 4.325 5.860 13.187
152 HG22 VAL 22 HG22 VAL 22 3.683 6.856 14.493
153 HG23 VAL 22 HG23 VAL 22 5.353 6.296 14.551
154 H LYS 23 H LYS 23 2.383 3.756 17.181
155 HA LYS 23 HA LYS 23 2.492 0.992 16.900
156 HB2 LYS 23 HB2 LYS 23 1.438 2.763 19.094
157 HB3 LYS 23 HB3 LYS 23 1.400 1.011 19.233
158 HG2 LYS 23 HG2 LYS 23 3.992 1.499 18.478
159 HG3 LYS 23 HG3 LYS 23 3.622 2.864 19.535
160 HD2 LYS 23 HD2 LYS 23 4.148 1.464 21.206
161 HD3 LYS 23 HD3 LYS 23 2.554 0.762 20.920
162 HE2 LYS 23 HE2 LYS 23 4.843 -0.201 19.282
163 HE3 LYS 23 HE3 LYS 23 4.738 -0.725 20.961
164 HZ1 LYS 23 HZ1 LYS 23 2.442 -0.968 19.115
165 HZ2 LYS 23 HZ2 LYS 23 2.705 -1.774 20.578
166 HZ3 LYS 23 HZ3 LYS 23 3.626 -2.170 19.217
167 H ALA 24 H ALA 24 -0.270 3.166 16.899
168 HA ALA 24 HA ALA 24 -2.270 1.159 17.064
169 HB1 ALA 24 HB1 ALA 24 -2.779 3.448 17.637
170 HB2 ALA 24 HB2 ALA 24 -2.408 3.975 15.996
171 HB3 ALA 24 HB3 ALA 24 -3.801 2.936 16.294
172 H PHE 25 H PHE 25 -0.745 2.850 14.348
173 HA PHE 25 HA PHE 25 -2.290 1.925 12.260
174 HB2 PHE 25 HB2 PHE 25 -0.367 3.574 12.155
175 HB3 PHE 25 HB3 PHE 25 0.716 2.186 12.123
176 HD1 PHE 25 HD2 PHE 25 -2.199 1.246 10.480
177 HD2 PHE 25 HD1 PHE 25 1.290 3.627 9.958
178 HE1 PHE 25 HE2 PHE 25 -2.467 1.097 8.038
179 HE2 PHE 25 HE1 PHE 25 1.028 3.483 7.516
180 HZ PHE 25 HZ PHE 25 -0.852 2.215 6.553
181 H VAL 26 H VAL 26 0.633 0.392 13.600
182 HA VAL 26 HA VAL 26 0.442 -1.927 11.968
183 HB VAL 26 HB VAL 26 2.445 -0.931 13.419
184 HG11 VAL 26 HG11 VAL 26 2.861 -2.122 15.429
185 HG12 VAL 26 HG12 VAL 26 1.211 -1.506 15.539
186 HG13 VAL 26 HG13 VAL 26 1.495 -3.202 15.150
187 HG21 VAL 26 HG21 VAL 26 1.964 -3.814 12.696
188 HG22 VAL 26 HG22 VAL 26 2.799 -2.584 11.748
189 HG23 VAL 26 HG23 VAL 26 3.527 -3.197 13.233
190 H SER 27 H SER 27 -0.889 -1.018 15.057
191 HA SER 27 HA SER 27 -1.528 -3.568 16.046
192 HB2 SER 27 HB2 SER 27 -2.089 -0.830 16.742
193 HB3 SER 27 HB3 SER 27 -3.557 -1.796 16.892
194 HG SER 27 HG SER 27 -1.125 -2.735 17.951
195 H LYS 28 H LYS 28 -2.926 -1.668 13.537
196 HA LYS 28 HA LYS 28 -5.505 -2.895 13.536
197 HB2 LYS 28 HB2 LYS 28 -3.992 -1.115 11.669
198 HB3 LYS 28 HB3 LYS 28 -5.430 -1.942 11.082
199 HG2 LYS 28 HG2 LYS 28 -6.789 -0.886 12.752
200 HG3 LYS 28 HG3 LYS 28 -5.367 -0.175 13.518
201 HD2 LYS 28 HD2 LYS 28 -4.927 1.088 11.434
202 HD3 LYS 28 HD3 LYS 28 -6.420 0.434 10.756
203 HE2 LYS 28 HE2 LYS 28 -6.820 1.622 13.376
204 HE3 LYS 28 HE3 LYS 28 -6.157 2.771 12.215
205 HZ1 LYS 28 HZ1 LYS 28 -8.249 1.223 11.065
206 HZ2 LYS 28 HZ2 LYS 28 -8.104 2.903 11.188
207 HZ3 LYS 28 HZ3 LYS 28 -8.785 2.019 12.458
208 H LYS 29 H LYS 29 -2.496 -4.070 12.772
209 HA LYS 29 HA LYS 29 -3.562 -5.957 10.780
210 HB2 LYS 29 HB2 LYS 29 -0.644 -5.570 11.400
211 HB3 LYS 29 HB3 LYS 29 -1.374 -6.264 9.959
212 HG2 LYS 29 HG2 LYS 29 -1.368 -3.369 10.776
213 HG3 LYS 29 HG3 LYS 29 -0.506 -4.102 9.421
214 HD2 LYS 29 HD2 LYS 29 -3.505 -3.954 9.733
215 HD3 LYS 29 HD3 LYS 29 -2.527 -2.929 8.681
216 HE2 LYS 29 HE2 LYS 29 -2.938 -5.906 8.478
217 HE3 LYS 29 HE3 LYS 29 -3.487 -4.670 7.348
218 HZ1 LYS 29 HZ1 LYS 29 -0.684 -5.479 7.887
219 HZ2 LYS 29 HZ2 LYS 29 -1.113 -4.142 6.945
220 HZ3 LYS 29 HZ3 LYS 29 -1.554 -5.699 6.452
221 H ARG 30 H ARG 30 -2.218 -5.648 13.952
222 HA ARG 30 HA ARG 30 -3.035 -8.213 14.754
223 HB2 ARG 30 HB2 ARG 30 -0.774 -9.209 15.165
224 HB3 ARG 30 HB3 ARG 30 -1.217 -9.094 13.468
225 HG2 ARG 30 HG2 ARG 30 0.102 -6.719 13.957
226 HG3 ARG 30 HG3 ARG 30 1.008 -7.909 14.893
227 HD2 ARG 30 HD2 ARG 30 0.430 -7.906 11.943
228 HD3 ARG 30 HD3 ARG 30 1.999 -7.861 12.746
229 HE ARG 30 HE ARG 30 0.978 -10.209 13.580
230 HH11 ARG 30 HH11 ARG 30 1.322 -8.771 10.428
231 HH12 ARG 30 HH12 ARG 30 1.491 -10.289 9.611
232 HH21 ARG 30 HH21 ARG 30 1.199 -12.214 12.514
233 HH22 ARG 30 HH22 ARG 30 1.420 -12.248 10.798
234 H ALA 31 H ALA 31 -1.508 -8.792 16.873
235 HA ALA 31 HA ALA 31 -1.529 -6.303 18.453
236 HB1 ALA 31 HB1 ALA 31 -3.162 -7.456 19.519
237 HB2 ALA 31 HB2 ALA 31 -2.531 -9.027 19.026
238 HB3 ALA 31 HB3 ALA 31 -1.778 -8.153 20.361
239 H ILE 32 H ILE 32 0.613 -5.740 18.286
240 HA ILE 32 HA ILE 32 2.502 -7.562 19.607
241 HB ILE 32 HB ILE 32 4.276 -6.656 18.032
242 HG12 ILE 32 HG12 ILE 32 2.290 -6.249 15.914
243 HG13 ILE 32 HG13 ILE 32 2.235 -5.018 17.172
244 HG21 ILE 32 HG21 ILE 32 3.728 -8.901 17.755
245 HG22 ILE 32 HG22 ILE 32 2.099 -8.532 17.190
246 HG23 ILE 32 HG23 ILE 32 3.485 -8.219 16.146
247 HD11 ILE 32 HD11 ILE 32 4.094 -5.341 15.022
248 HD12 ILE 32 HD12 ILE 32 3.913 -4.002 16.156
249 HD13 ILE 32 HD13 ILE 32 4.942 -5.372 16.567
250 H LYS 33 H LYS 33 2.749 -6.508 21.497
251 HA LYS 33 HA LYS 33 2.969 -3.627 21.601
252 HB2 LYS 33 HB2 LYS 33 3.293 -4.027 24.056
253 HB3 LYS 33 HB3 LYS 33 1.789 -4.666 23.404
254 HG2 LYS 33 HG2 LYS 33 3.693 -6.727 23.197
255 HG3 LYS 33 HG3 LYS 33 3.871 -6.025 24.807
256 HD2 LYS 33 HD2 LYS 33 1.107 -6.517 23.868
257 HD3 LYS 33 HD3 LYS 33 2.086 -7.941 24.231
258 HE2 LYS 33 HE2 LYS 33 1.821 -5.632 26.139
259 HE3 LYS 33 HE3 LYS 33 0.691 -6.984 26.132
260 HZ1 LYS 33 HZ1 LYS 33 3.442 -6.874 27.047
261 HZ2 LYS 33 HZ2 LYS 33 3.013 -8.278 26.207
262 HZ3 LYS 33 HZ3 LYS 33 2.155 -7.827 27.594
263 H ASN 34 H ASN 34 4.825 -2.799 20.850
264 HA ASN 34 HA ASN 34 7.341 -3.934 21.885
265 HB2 ASN 34 HB2 ASN 34 6.800 -2.716 19.169
266 HB3 ASN 34 HB3 ASN 34 8.409 -3.098 19.775
267 HD21 ASN 34 HD21 ASN 34 9.071 -4.766 18.612
268 HD22 ASN 34 HD22 ASN 34 8.196 -6.236 18.374
269 H GLU 35 H GLU 35 7.811 -2.572 23.522
270 HA GLU 35 HA GLU 35 7.317 0.243 23.397
271 HB2 GLU 35 HB2 GLU 35 8.221 -1.681 25.377
272 HB3 GLU 35 HB3 GLU 35 9.151 -0.191 25.450
273 HG2 GLU 35 HG2 GLU 35 6.171 -0.491 25.702
274 HG3 GLU 35 HG3 GLU 35 7.312 -0.022 26.960
275 H GLN 36 H GLN 36 10.183 -1.812 23.106
276 HA GLN 36 HA GLN 36 12.015 0.354 22.833
277 HB2 GLN 36 HB2 GLN 36 12.933 -1.686 23.592
278 HB3 GLN 36 HB3 GLN 36 12.193 -2.598 22.282
279 HG2 GLN 36 HG2 GLN 36 13.914 -2.242 20.921
280 HG3 GLN 36 HG3 GLN 36 13.988 -0.527 21.324
281 HE21 GLN 36 HE21 GLN 36 15.339 -3.616 21.814
282 HE22 GLN 36 HE22 GLN 36 16.562 -3.160 22.945
283 H LEU 37 H LEU 37 10.532 -1.894 20.512
284 HA LEU 37 HA LEU 37 11.732 -0.839 18.207
285 HB2 LEU 37 HB2 LEU 37 10.366 -3.007 18.558
286 HB3 LEU 37 HB3 LEU 37 8.969 -1.994 18.208
287 HG LEU 37 HG LEU 37 10.283 -1.393 16.042
288 HD11 LEU 37 HD11 LEU 37 11.367 -4.041 15.872
289 HD12 LEU 37 HD12 LEU 37 12.091 -3.176 17.227
290 HD13 LEU 37 HD13 LEU 37 12.159 -2.487 15.605
291 HD21 LEU 37 HD21 LEU 37 9.333 -4.192 15.944
292 HD22 LEU 37 HD22 LEU 37 8.897 -2.808 14.941
293 HD23 LEU 37 HD23 LEU 37 8.198 -2.986 16.552
294 H LEU 38 H LEU 38 8.778 0.040 19.916
295 HA LEU 38 HA LEU 38 7.733 1.808 17.997
296 HB2 LEU 38 HB2 LEU 38 6.306 1.083 19.730
297 HB3 LEU 38 HB3 LEU 38 7.428 1.618 20.979
298 HG LEU 38 HG LEU 38 5.276 2.971 20.589
299 HD11 LEU 38 HD11 LEU 38 7.731 3.603 21.607
300 HD12 LEU 38 HD12 LEU 38 6.292 4.618 21.708
301 HD13 LEU 38 HD13 LEU 38 7.472 4.889 20.427
302 HD21 LEU 38 HD21 LEU 38 5.009 4.207 18.730
303 HD22 LEU 38 HD22 LEU 38 6.088 3.014 18.009
304 HD23 LEU 38 HD23 LEU 38 6.731 4.553 18.584
305 H GLN 39 H GLN 39 9.792 2.415 20.832
306 HA GLN 39 HA GLN 39 10.009 5.195 20.480
307 HB2 GLN 39 HB2 GLN 39 11.042 3.238 22.253
308 HB3 GLN 39 HB3 GLN 39 12.412 4.150 21.631
309 HG2 GLN 39 HG2 GLN 39 10.485 6.064 22.255
310 HG3 GLN 39 HG3 GLN 39 10.438 4.903 23.580
311 HE21 GLN 39 HE21 GLN 39 11.749 5.343 25.187
312 HE22 GLN 39 HE22 GLN 39 13.244 6.202 25.082
313 H LEU 40 H LEU 40 12.231 2.578 19.531
314 HA LEU 40 HA LEU 40 14.122 4.202 18.252
315 HB2 LEU 40 HB2 LEU 40 13.951 1.570 18.844
316 HB3 LEU 40 HB3 LEU 40 13.670 1.526 17.105
317 HG LEU 40 HG LEU 40 16.107 2.597 18.523
318 HD11 LEU 40 HD11 LEU 40 16.112 0.433 16.477
319 HD12 LEU 40 HD12 LEU 40 15.630 0.052 18.130
320 HD13 LEU 40 HD13 LEU 40 17.226 0.729 17.811
321 HD21 LEU 40 HD21 LEU 40 15.891 4.031 16.706
322 HD22 LEU 40 HD22 LEU 40 15.218 2.776 15.667
323 HD23 LEU 40 HD23 LEU 40 16.931 2.748 16.086
324 H ILE 41 H ILE 41 11.428 2.331 16.858
325 HA ILE 41 HA ILE 41 11.793 3.181 14.208
326 HB ILE 41 HB ILE 41 9.328 2.201 15.640
327 HG12 ILE 41 HG12 ILE 41 11.205 0.602 15.358
328 HG13 ILE 41 HG13 ILE 41 9.768 0.122 14.463
329 HG21 ILE 41 HG21 ILE 41 8.484 3.497 13.854
330 HG22 ILE 41 HG22 ILE 41 9.721 2.908 12.744
331 HG23 ILE 41 HG23 ILE 41 8.446 1.823 13.300
332 HD11 ILE 41 HD11 ILE 41 12.220 1.439 13.323
333 HD12 ILE 41 HD12 ILE 41 11.747 -0.252 13.140
334 HD13 ILE 41 HD13 ILE 41 10.769 1.022 12.413
335 H PHE 42 H PHE 42 10.122 4.632 16.918
336 HA PHE 42 HA PHE 42 8.570 6.513 15.539
337 HB2 PHE 42 HB2 PHE 42 8.137 6.143 17.861
338 HB3 PHE 42 HB3 PHE 42 9.789 6.567 18.300
339 HD1 PHE 42 HD2 PHE 42 7.011 8.149 16.367
340 HD2 PHE 42 HD1 PHE 42 9.993 8.573 19.374
341 HE1 PHE 42 HE2 PHE 42 6.310 10.480 16.728
342 HE2 PHE 42 HE1 PHE 42 9.296 10.903 19.741
343 HZ PHE 42 HZ PHE 42 7.453 11.861 18.416
344 H LYS 43 H LYS 43 11.828 6.822 16.934
345 HA LYS 43 HA LYS 43 12.219 9.476 15.970
346 HB2 LYS 43 HB2 LYS 43 13.480 7.879 17.808
347 HB3 LYS 43 HB3 LYS 43 14.635 7.885 16.480
348 HG2 LYS 43 HG2 LYS 43 14.552 10.372 16.505
349 HG3 LYS 43 HG3 LYS 43 13.541 10.274 17.948
350 HD2 LYS 43 HD2 LYS 43 15.279 9.291 19.215
351 HD3 LYS 43 HD3 LYS 43 16.246 8.967 17.775
352 HE2 LYS 43 HE2 LYS 43 15.554 11.789 18.169
353 HE3 LYS 43 HE3 LYS 43 16.571 11.105 19.436
354 HZ1 LYS 43 HZ1 LYS 43 17.160 11.500 16.592
355 HZ2 LYS 43 HZ2 LYS 43 17.889 10.198 17.388
356 HZ3 LYS 43 HZ3 LYS 43 18.140 11.777 17.943
357 H SER 44 H SER 44 12.900 6.273 14.729
358 HA SER 44 HA SER 44 14.652 7.068 12.645
359 HB2 SER 44 HB2 SER 44 13.048 4.604 13.232
360 HB3 SER 44 HB3 SER 44 13.813 4.788 11.654
361 HG SER 44 HG SER 44 15.786 5.247 12.940
362 H ILE 45 H ILE 45 11.180 6.283 12.671
363 HA ILE 45 HA ILE 45 10.749 6.875 9.940
364 HB ILE 45 HB ILE 45 8.823 6.790 12.261
365 HG12 ILE 45 HG12 ILE 45 9.469 4.834 10.046
366 HG13 ILE 45 HG13 ILE 45 9.841 4.642 11.755
367 HG21 ILE 45 HG21 ILE 45 8.252 7.029 9.310
368 HG22 ILE 45 HG22 ILE 45 7.046 6.683 10.550
369 HG23 ILE 45 HG23 ILE 45 7.898 8.227 10.555
370 HD11 ILE 45 HD11 ILE 45 7.415 4.619 12.229
371 HD12 ILE 45 HD12 ILE 45 7.113 4.674 10.493
372 HD13 ILE 45 HD13 ILE 45 7.947 3.290 11.199
373 H ASP 46 H ASP 46 10.668 8.819 12.859
374 HA ASP 46 HA ASP 46 9.576 11.125 11.490
375 HB2 ASP 46 HB2 ASP 46 9.344 10.387 14.028
376 HB3 ASP 46 HB3 ASP 46 10.821 11.331 14.195
377 H ALA 47 H ALA 47 10.754 12.495 10.344
378 HA ALA 47 HA ALA 47 13.563 12.327 10.131
379 HB1 ALA 47 HB1 ALA 47 13.422 14.160 8.626
380 HB2 ALA 47 HB2 ALA 47 11.983 13.171 8.372
381 HB3 ALA 47 HB3 ALA 47 11.870 14.671 9.293
382 H ASP 48 H ASP 48 11.431 14.538 11.883
383 HA ASP 48 HA ASP 48 13.800 15.770 13.121
384 HB2 ASP 48 HB2 ASP 48 12.269 17.623 13.752
385 HB3 ASP 48 HB3 ASP 48 12.386 17.392 12.009
386 H GLY 49 H GLY 49 11.172 13.688 13.685
387 HA2 GLY 49 HA2 GLY 49 10.402 12.628 15.569
388 HA3 GLY 49 HA3 GLY 49 11.960 13.017 16.281
389 H ASN 50 H ASN 50 9.653 15.413 15.158
390 HA ASN 50 HA ASN 50 9.613 16.595 17.803
391 HB2 ASN 50 HB2 ASN 50 8.362 18.427 16.707
392 HB3 ASN 50 HB3 ASN 50 9.873 18.067 15.878
393 HD21 ASN 50 HD21 ASN 50 7.854 19.452 14.643
394 HD22 ASN 50 HD22 ASN 50 7.179 18.484 13.381
395 H GLY 51 H GLY 51 8.450 14.843 18.839
396 HA2 GLY 51 HA2 GLY 51 6.525 14.068 19.832
397 HA3 GLY 51 HA3 GLY 51 5.670 15.390 19.052
398 H GLU 52 H GLU 52 6.081 14.808 16.386
399 HA GLU 52 HA GLU 52 5.270 12.065 15.913
400 HB2 GLU 52 HB2 GLU 52 3.240 12.926 14.589
401 HB3 GLU 52 HB3 GLU 52 3.106 12.844 16.340
402 HG2 GLU 52 HG2 GLU 52 2.182 14.915 15.291
403 HG3 GLU 52 HG3 GLU 52 3.371 15.181 16.566
404 H ILE 53 H ILE 53 4.961 11.650 13.546
405 HA ILE 53 HA ILE 53 7.002 13.125 12.067
406 HB ILE 53 HB ILE 53 5.584 10.677 11.060
407 HG12 ILE 53 HG12 ILE 53 8.003 9.824 12.152
408 HG13 ILE 53 HG13 ILE 53 7.326 10.889 13.380
409 HG21 ILE 53 HG21 ILE 53 6.896 11.550 9.368
410 HG22 ILE 53 HG22 ILE 53 8.153 12.089 10.481
411 HG23 ILE 53 HG23 ILE 53 7.979 10.374 10.111
412 HD11 ILE 53 HD11 ILE 53 5.225 9.250 12.497
413 HD12 ILE 53 HD12 ILE 53 6.624 8.204 12.736
414 HD13 ILE 53 HD13 ILE 53 6.049 9.223 14.056
415 H ASP 54 H ASP 54 6.510 14.587 10.580
416 HA ASP 54 HA ASP 54 3.777 15.114 9.883
417 HB2 ASP 54 HB2 ASP 54 6.173 16.373 8.564
418 HB3 ASP 54 HB3 ASP 54 4.572 17.063 8.819
419 H GLN 55 H GLN 55 3.011 15.303 7.657
420 HA GLN 55 HA GLN 55 3.234 12.946 6.220
421 HB2 GLN 55 HB2 GLN 55 2.191 14.227 4.334
422 HB3 GLN 55 HB3 GLN 55 1.345 14.370 5.869
423 HG2 GLN 55 HG2 GLN 55 2.575 16.537 6.214
424 HG3 GLN 55 HG3 GLN 55 3.113 16.402 4.541
425 HE21 GLN 55 HE21 GLN 55 1.823 17.130 2.984
426 HE22 GLN 55 HE22 GLN 55 0.185 17.635 3.197
427 H ASN 56 H ASN 56 4.895 16.034 5.690
428 HA ASN 56 HA ASN 56 6.240 15.365 3.338
429 HB2 ASN 56 HB2 ASN 56 6.081 17.608 4.802
430 HB3 ASN 56 HB3 ASN 56 7.673 17.058 5.316
431 HD21 ASN 56 HD21 ASN 56 5.837 17.228 2.280
432 HD22 ASN 56 HD22 ASN 56 7.114 17.930 1.351
433 H GLU 57 H GLU 57 7.339 15.086 6.714
434 HA GLU 57 HA GLU 57 9.851 13.985 6.175
435 HB2 GLU 57 HB2 GLU 57 8.115 13.442 8.589
436 HB3 GLU 57 HB3 GLU 57 9.860 13.253 8.492
437 HG2 GLU 57 HG2 GLU 57 10.241 15.536 8.492
438 HG3 GLU 57 HG3 GLU 57 8.600 15.910 7.971
439 H PHE 58 H PHE 58 6.724 12.417 6.739
440 HA PHE 58 HA PHE 58 7.662 9.763 6.675
441 HB2 PHE 58 HB2 PHE 58 5.365 10.684 7.432
442 HB3 PHE 58 HB3 PHE 58 4.919 10.559 5.734
443 HD1 PHE 58 HD1 PHE 58 4.745 8.385 4.651
444 HD2 PHE 58 HD2 PHE 58 5.661 8.733 8.793
445 HE1 PHE 58 HE1 PHE 58 4.205 6.005 4.967
446 HE2 PHE 58 HE2 PHE 58 5.123 6.353 9.114
447 HZ PHE 58 HZ PHE 58 4.395 4.986 7.200
448 H ALA 59 H ALA 59 6.459 11.909 4.136
449 HA ALA 59 HA ALA 59 6.380 10.057 2.040
450 HB1 ALA 59 HB1 ALA 59 6.973 12.329 0.726
451 HB2 ALA 59 HB2 ALA 59 5.366 11.949 1.347
452 HB3 ALA 59 HB3 ALA 59 6.445 12.994 2.271
453 H LYS 60 H LYS 60 8.978 12.317 2.958
454 HA LYS 60 HA LYS 60 10.817 11.409 1.014
455 HB2 LYS 60 HB2 LYS 60 11.370 12.779 3.651
456 HB3 LYS 60 HB3 LYS 60 12.498 12.639 2.309
457 HG2 LYS 60 HG2 LYS 60 9.856 13.917 1.824
458 HG3 LYS 60 HG3 LYS 60 11.098 14.824 2.691
459 HD2 LYS 60 HD2 LYS 60 11.651 13.462 0.069
460 HD3 LYS 60 HD3 LYS 60 11.001 15.101 0.154
461 HE2 LYS 60 HE2 LYS 60 13.528 14.235 1.547
462 HE3 LYS 60 HE3 LYS 60 13.501 14.937 -0.070
463 HZ1 LYS 60 HZ1 LYS 60 13.946 16.562 1.718
464 HZ2 LYS 60 HZ2 LYS 60 12.401 16.271 2.342
465 HZ3 LYS 60 HZ3 LYS 60 12.576 16.944 0.800
466 H PHE 61 H PHE 61 9.906 10.222 4.131
467 HA PHE 61 HA PHE 61 12.263 8.611 4.508
468 HB2 PHE 61 HB2 PHE 61 11.335 9.149 6.555
469 HB3 PHE 61 HB3 PHE 61 9.683 8.998 5.963
470 HD1 PHE 61 HD1 PHE 61 12.657 6.754 6.245
471 HD2 PHE 61 HD2 PHE 61 8.498 7.314 6.953
472 HE1 PHE 61 HE1 PHE 61 12.522 4.498 7.218
473 HE2 PHE 61 HE2 PHE 61 8.356 5.061 7.929
474 HZ PHE 61 HZ PHE 61 10.370 3.649 8.063
475 H TYR 62 H TYR 62 9.029 8.173 3.230
476 HA TYR 62 HA TYR 62 9.003 5.360 3.144
477 HB2 TYR 62 HB2 TYR 62 6.942 6.547 2.864
478 HB3 TYR 62 HB3 TYR 62 7.569 7.432 1.478
479 HD1 TYR 62 HD2 TYR 62 7.725 6.378 -0.708
480 HD2 TYR 62 HD1 TYR 62 6.205 4.242 2.644
481 HE1 TYR 62 HE2 TYR 62 6.815 4.663 -2.219
482 HE2 TYR 62 HE1 TYR 62 5.293 2.521 1.142
483 HH TYR 62 HH TYR 62 4.893 1.956 -0.984
484 H GLY 63 H GLY 63 10.284 4.044 2.042
485 HA2 GLY 63 HA2 GLY 63 11.340 3.124 0.191
486 HA3 GLY 63 HA3 GLY 63 10.874 4.538 -0.742
487 H SER 64 H SER 64 12.285 5.597 2.061
488 HA SER 64 HA SER 64 14.654 6.440 0.675
489 HB2 SER 64 HB2 SER 64 13.253 7.627 2.590
490 HB3 SER 64 HB3 SER 64 14.378 6.757 3.632
491 HG SER 64 HG SER 64 16.074 7.814 2.664
492 H ILE 65 H ILE 65 14.960 3.890 0.438
493 HA ILE 65 HA ILE 65 16.466 2.803 2.687
494 HB ILE 65 HB ILE 65 14.796 1.433 1.338
495 HG12 ILE 65 HG12 ILE 65 17.507 0.147 1.311
496 HG13 ILE 65 HG13 ILE 65 16.780 0.631 2.839
497 HG21 ILE 65 HG21 ILE 65 16.034 2.366 -0.831
498 HG22 ILE 65 HG22 ILE 65 16.945 0.873 -0.619
499 HG23 ILE 65 HG23 ILE 65 15.192 0.817 -0.810
500 HD11 ILE 65 HD11 ILE 65 14.794 -0.771 1.453
501 HD12 ILE 65 HD12 ILE 65 16.285 -1.692 1.252
502 HD13 ILE 65 HD13 ILE 65 15.705 -1.296 2.869
503 H GLN 66 H GLN 66 17.323 5.018 0.715
504 HA GLN 66 HA GLN 66 19.419 4.135 -0.885
505 HB2 GLN 66 HB2 GLN 66 18.453 6.659 0.127
506 HB3 GLN 66 HB3 GLN 66 20.212 6.629 0.138
507 HG2 GLN 66 HG2 GLN 66 18.890 5.655 -2.315
508 HG3 GLN 66 HG3 GLN 66 18.764 7.380 -1.976
509 HE21 GLN 66 HE21 GLN 66 20.653 8.629 -1.891
510 HE22 GLN 66 HE22 GLN 66 22.125 8.092 -2.618
Start of MODEL 9
1 H1 MET 1 H MET 1 -1.149 5.394 -1.228
2 HA MET 1 HA MET 1 -1.265 2.760 -2.282
3 HB2 MET 1 HB2 MET 1 -0.170 4.849 -4.168
4 HB3 MET 1 HB3 MET 1 -0.292 3.119 -4.459
5 HG2 MET 1 HG2 MET 1 -2.648 4.944 -4.052
6 HG3 MET 1 HG3 MET 1 -2.010 4.469 -5.624
7 HE1 MET 1 HE1 MET 1 -5.083 2.366 -3.209
8 HE2 MET 1 HE2 MET 1 -4.158 3.782 -2.708
9 HE3 MET 1 HE3 MET 1 -5.166 3.853 -4.155
10 H ALA 2 H ALA 2 0.730 5.681 -1.994
11 HA ALA 2 HA ALA 2 2.938 3.974 -1.039
12 HB1 ALA 2 HB1 ALA 2 4.149 6.316 -1.750
13 HB2 ALA 2 HB2 ALA 2 4.061 4.870 -2.755
14 HB3 ALA 2 HB3 ALA 2 2.887 6.168 -2.972
15 H GLU 3 H GLU 3 2.145 7.449 -0.889
16 HA GLU 3 HA GLU 3 2.818 7.393 1.968
17 HB2 GLU 3 HB2 GLU 3 3.003 9.863 1.745
18 HB3 GLU 3 HB3 GLU 3 4.121 8.983 0.713
19 HG2 GLU 3 HG2 GLU 3 1.539 9.673 -0.514
20 HG3 GLU 3 HG3 GLU 3 2.586 11.034 -0.113
21 H ALA 4 H ALA 4 0.216 7.806 -0.234
22 HA ALA 4 HA ALA 4 -1.551 9.423 1.154
23 HB1 ALA 4 HB1 ALA 4 -1.765 7.358 -0.912
24 HB2 ALA 4 HB2 ALA 4 -3.225 7.576 0.056
25 HB3 ALA 4 HB3 ALA 4 -2.525 8.947 -0.807
26 H LEU 5 H LEU 5 -0.512 6.197 1.860
27 HA LEU 5 HA LEU 5 -2.658 5.347 3.467
28 HB2 LEU 5 HB2 LEU 5 0.168 4.565 4.045
29 HB3 LEU 5 HB3 LEU 5 -1.300 3.593 4.139
30 HG LEU 5 HG LEU 5 0.198 4.412 1.655
31 HD11 LEU 5 HD11 LEU 5 0.261 1.901 1.382
32 HD12 LEU 5 HD12 LEU 5 -0.286 1.795 3.054
33 HD13 LEU 5 HD13 LEU 5 1.255 2.567 2.679
34 HD21 LEU 5 HD21 LEU 5 -1.593 2.835 0.617
35 HD22 LEU 5 HD22 LEU 5 -1.981 4.532 0.905
36 HD23 LEU 5 HD23 LEU 5 -2.547 3.294 2.028
37 H PHE 6 H PHE 6 0.221 7.247 4.179
38 HA PHE 6 HA PHE 6 0.001 7.249 6.981
39 HB2 PHE 6 HB2 PHE 6 2.059 8.000 6.175
40 HB3 PHE 6 HB3 PHE 6 1.315 9.071 4.992
41 HD1 PHE 6 HD1 PHE 6 0.257 11.191 5.755
42 HD2 PHE 6 HD2 PHE 6 2.579 8.744 8.350
43 HE1 PHE 6 HE1 PHE 6 0.510 13.084 7.307
44 HE2 PHE 6 HE2 PHE 6 2.836 10.632 9.906
45 HZ PHE 6 HZ PHE 6 1.800 12.804 9.387
46 H LYS 7 H LYS 7 -1.193 9.555 4.556
47 HA LYS 7 HA LYS 7 -2.501 11.205 6.494
48 HB2 LYS 7 HB2 LYS 7 -2.254 11.133 3.543
49 HB3 LYS 7 HB3 LYS 7 -3.689 11.922 4.184
50 HG2 LYS 7 HG2 LYS 7 -0.864 12.612 4.964
51 HG3 LYS 7 HG3 LYS 7 -1.818 13.473 3.753
52 HD2 LYS 7 HD2 LYS 7 -2.551 13.151 6.664
53 HD3 LYS 7 HD3 LYS 7 -1.862 14.604 5.934
54 HE2 LYS 7 HE2 LYS 7 -4.010 14.082 4.313
55 HE3 LYS 7 HE3 LYS 7 -4.607 13.596 5.899
56 HZ1 LYS 7 HZ1 LYS 7 -4.453 16.158 4.901
57 HZ2 LYS 7 HZ2 LYS 7 -3.217 16.066 6.053
58 HZ3 LYS 7 HZ3 LYS 7 -4.811 15.708 6.493
59 H GLU 8 H GLU 8 -3.371 8.412 4.627
60 HA GLU 8 HA GLU 8 -6.182 8.683 4.756
61 HB2 GLU 8 HB2 GLU 8 -4.996 7.151 3.205
62 HB3 GLU 8 HB3 GLU 8 -4.552 6.145 4.576
63 HG2 GLU 8 HG2 GLU 8 -6.399 4.997 4.134
64 HG3 GLU 8 HG3 GLU 8 -7.270 6.356 4.844
65 H ILE 9 H ILE 9 -3.845 6.994 6.823
66 HA ILE 9 HA ILE 9 -5.777 5.932 8.609
67 HB ILE 9 HB ILE 9 -2.818 6.214 8.623
68 HG12 ILE 9 HG12 ILE 9 -3.032 3.775 9.210
69 HG13 ILE 9 HG13 ILE 9 -4.779 3.960 9.089
70 HG21 ILE 9 HG21 ILE 9 -2.825 5.255 10.974
71 HG22 ILE 9 HG22 ILE 9 -3.187 6.974 10.820
72 HG23 ILE 9 HG23 ILE 9 -4.492 5.819 11.086
73 HD11 ILE 9 HD11 ILE 9 -3.990 3.030 7.052
74 HD12 ILE 9 HD12 ILE 9 -4.451 4.702 6.731
75 HD13 ILE 9 HD13 ILE 9 -2.749 4.273 6.896
76 H ASP 10 H ASP 10 -4.130 8.988 8.383
77 HA ASP 10 HA ASP 10 -4.672 9.842 11.055
78 HB2 ASP 10 HB2 ASP 10 -3.774 11.244 8.549
79 HB3 ASP 10 HB3 ASP 10 -4.168 12.150 10.007
80 H VAL 11 H VAL 11 -6.962 9.192 11.057
81 HA VAL 11 HA VAL 11 -8.916 10.408 9.453
82 HB VAL 11 HB VAL 11 -9.306 9.501 12.304
83 HG11 VAL 11 HG11 VAL 11 -11.549 8.816 10.971
84 HG12 VAL 11 HG12 VAL 11 -11.342 10.347 11.826
85 HG13 VAL 11 HG13 VAL 11 -11.083 10.267 10.082
86 HG21 VAL 11 HG21 VAL 11 -9.954 7.313 11.234
87 HG22 VAL 11 HG22 VAL 11 -9.204 7.906 9.752
88 HG23 VAL 11 HG23 VAL 11 -8.232 7.690 11.207
89 H ASN 12 H ASN 12 -7.013 11.671 11.985
90 HA ASN 12 HA ASN 12 -8.872 13.743 12.756
91 HB2 ASN 12 HB2 ASN 12 -6.782 14.619 13.985
92 HB3 ASN 12 HB3 ASN 12 -7.461 13.083 14.514
93 HD21 ASN 12 HD21 ASN 12 -5.441 12.551 15.420
94 HD22 ASN 12 HD22 ASN 12 -4.135 12.006 14.429
95 H GLY 13 H GLY 13 -7.069 13.265 10.066
96 HA2 GLY 13 HA2 GLY 13 -6.189 14.626 8.431
97 HA3 GLY 13 HA3 GLY 13 -7.476 15.723 8.910
98 H ASP 14 H ASP 14 -4.640 14.688 10.764
99 HA ASP 14 HA ASP 14 -3.935 17.509 11.113
100 HB2 ASP 14 HB2 ASP 14 -2.462 16.640 12.950
101 HB3 ASP 14 HB3 ASP 14 -4.179 16.324 13.187
102 H GLY 15 H GLY 15 -2.960 14.709 9.439
103 HA2 GLY 15 HA2 GLY 15 -1.227 14.344 7.974
104 HA3 GLY 15 HA3 GLY 15 -0.860 16.058 8.098
105 H ALA 16 H ALA 16 -0.933 14.334 11.053
106 HA ALA 16 HA ALA 16 1.979 13.952 11.006
107 HB1 ALA 16 HB1 ALA 16 0.453 15.807 12.691
108 HB2 ALA 16 HB2 ALA 16 1.605 14.792 13.560
109 HB3 ALA 16 HB3 ALA 16 2.158 15.820 12.238
110 H VAL 17 H VAL 17 2.726 12.216 12.148
111 HA VAL 17 HA VAL 17 0.719 10.613 13.595
112 HB VAL 17 HB VAL 17 2.790 9.722 11.609
113 HG11 VAL 17 HG11 VAL 17 1.743 7.392 12.585
114 HG12 VAL 17 HG12 VAL 17 3.331 8.045 12.991
115 HG13 VAL 17 HG13 VAL 17 1.954 8.349 14.051
116 HG21 VAL 17 HG21 VAL 17 1.029 8.831 10.428
117 HG22 VAL 17 HG22 VAL 17 0.019 8.644 11.861
118 HG23 VAL 17 HG23 VAL 17 0.262 10.243 11.157
119 H SER 18 H SER 18 1.220 10.653 15.683
120 HA SER 18 HA SER 18 3.967 10.990 16.551
121 HB2 SER 18 HB2 SER 18 2.384 10.559 18.812
122 HB3 SER 18 HB3 SER 18 2.888 12.119 18.163
123 HG SER 18 HG SER 18 0.877 12.464 17.711
124 H TYR 19 H TYR 19 4.506 9.613 18.627
125 HA TYR 19 HA TYR 19 5.138 7.063 17.858
126 HB2 TYR 19 HB2 TYR 19 5.457 6.553 20.258
127 HB3 TYR 19 HB3 TYR 19 6.141 8.112 19.809
128 HD1 TYR 19 HD1 TYR 19 4.933 10.209 20.442
129 HD2 TYR 19 HD2 TYR 19 3.742 6.389 21.889
130 HE1 TYR 19 HE1 TYR 19 3.643 11.296 22.231
131 HE2 TYR 19 HE2 TYR 19 2.448 7.466 23.682
132 HH TYR 19 HH TYR 19 1.478 10.488 23.690
133 H GLU 20 H GLU 20 2.274 8.090 19.685
134 HA GLU 20 HA GLU 20 1.178 5.538 20.086
135 HB2 GLU 20 HB2 GLU 20 0.329 8.297 20.406
136 HB3 GLU 20 HB3 GLU 20 -0.991 7.274 19.857
137 HG2 GLU 20 HG2 GLU 20 -0.153 5.699 21.776
138 HG3 GLU 20 HG3 GLU 20 0.539 7.194 22.405
139 H GLU 21 H GLU 21 0.571 7.937 17.531
140 HA GLU 21 HA GLU 21 -1.367 6.535 16.114
141 HB2 GLU 21 HB2 GLU 21 0.592 8.669 15.453
142 HB3 GLU 21 HB3 GLU 21 -0.156 7.824 14.105
143 HG2 GLU 21 HG2 GLU 21 -2.237 8.450 15.872
144 HG3 GLU 21 HG3 GLU 21 -1.224 9.889 15.776
145 H VAL 22 H VAL 22 2.154 6.342 15.939
146 HA VAL 22 HA VAL 22 2.337 4.664 13.694
147 HB VAL 22 HB VAL 22 4.185 5.065 16.039
148 HG11 VAL 22 HG11 VAL 22 4.892 2.971 15.442
149 HG12 VAL 22 HG12 VAL 22 4.364 3.149 13.768
150 HG13 VAL 22 HG13 VAL 22 5.837 3.948 14.319
151 HG21 VAL 22 HG21 VAL 22 4.330 6.984 14.799
152 HG22 VAL 22 HG22 VAL 22 5.546 6.002 13.983
153 HG23 VAL 22 HG23 VAL 22 3.935 6.169 13.286
154 H LYS 23 H LYS 23 2.500 3.827 17.158
155 HA LYS 23 HA LYS 23 2.630 1.068 16.878
156 HB2 LYS 23 HB2 LYS 23 2.057 2.959 19.008
157 HB3 LYS 23 HB3 LYS 23 1.113 1.485 19.180
158 HG2 LYS 23 HG2 LYS 23 4.044 1.308 18.653
159 HG3 LYS 23 HG3 LYS 23 3.459 1.668 20.279
160 HD2 LYS 23 HD2 LYS 23 2.548 -0.699 18.648
161 HD3 LYS 23 HD3 LYS 23 3.863 -0.762 19.822
162 HE2 LYS 23 HE2 LYS 23 1.398 0.439 20.847
163 HE3 LYS 23 HE3 LYS 23 1.228 -1.250 20.368
164 HZ1 LYS 23 HZ1 LYS 23 3.075 -0.105 22.380
165 HZ2 LYS 23 HZ2 LYS 23 3.278 -1.661 21.751
166 HZ3 LYS 23 HZ3 LYS 23 1.873 -1.273 22.610
167 H ALA 24 H ALA 24 -0.152 3.216 16.827
168 HA ALA 24 HA ALA 24 -2.137 1.192 16.951
169 HB1 ALA 24 HB1 ALA 24 -3.161 3.412 15.536
170 HB2 ALA 24 HB2 ALA 24 -3.403 2.991 17.232
171 HB3 ALA 24 HB3 ALA 24 -2.060 4.035 16.766
172 H PHE 25 H PHE 25 -0.545 2.870 14.271
173 HA PHE 25 HA PHE 25 -2.042 1.957 12.144
174 HB2 PHE 25 HB2 PHE 25 -0.068 3.577 12.122
175 HB3 PHE 25 HB3 PHE 25 0.966 2.154 12.051
176 HD1 PHE 25 HD2 PHE 25 0.225 0.413 10.165
177 HD2 PHE 25 HD1 PHE 25 -0.606 4.588 10.143
178 HE1 PHE 25 HE2 PHE 25 -0.038 0.345 7.719
179 HE2 PHE 25 HE1 PHE 25 -0.872 4.526 7.697
180 HZ PHE 25 HZ PHE 25 -0.586 2.402 6.482
181 H VAL 26 H VAL 26 0.820 0.392 13.576
182 HA VAL 26 HA VAL 26 0.653 -1.926 11.940
183 HB VAL 26 HB VAL 26 2.619 -0.949 13.459
184 HG11 VAL 26 HG11 VAL 26 2.960 -2.159 15.472
185 HG12 VAL 26 HG12 VAL 26 1.314 -1.527 15.535
186 HG13 VAL 26 HG13 VAL 26 1.594 -3.223 15.142
187 HG21 VAL 26 HG21 VAL 26 2.061 -3.692 12.447
188 HG22 VAL 26 HG22 VAL 26 3.266 -2.518 11.919
189 HG23 VAL 26 HG23 VAL 26 3.512 -3.424 13.411
190 H SER 27 H SER 27 -0.761 -0.997 14.986
191 HA SER 27 HA SER 27 -1.449 -3.518 15.989
192 HB2 SER 27 HB2 SER 27 -2.043 -0.777 16.602
193 HB3 SER 27 HB3 SER 27 -3.531 -1.721 16.667
194 HG SER 27 HG SER 27 -1.256 -2.794 17.874
195 H LYS 28 H LYS 28 -2.753 -1.682 13.378
196 HA LYS 28 HA LYS 28 -5.309 -2.952 13.280
197 HB2 LYS 28 HB2 LYS 28 -3.779 -1.055 11.611
198 HB3 LYS 28 HB3 LYS 28 -4.938 -2.055 10.746
199 HG2 LYS 28 HG2 LYS 28 -5.834 0.138 11.479
200 HG3 LYS 28 HG3 LYS 28 -6.743 -1.248 12.086
201 HD2 LYS 28 HD2 LYS 28 -6.218 -0.809 14.232
202 HD3 LYS 28 HD3 LYS 28 -4.564 -0.336 13.834
203 HE2 LYS 28 HE2 LYS 28 -6.134 1.663 12.724
204 HE3 LYS 28 HE3 LYS 28 -6.915 1.306 14.263
205 HZ1 LYS 28 HZ1 LYS 28 -5.386 2.680 15.099
206 HZ2 LYS 28 HZ2 LYS 28 -4.385 2.581 13.738
207 HZ3 LYS 28 HZ3 LYS 28 -4.306 1.388 14.935
208 H LYS 29 H LYS 29 -2.235 -4.064 12.637
209 HA LYS 29 HA LYS 29 -3.176 -6.000 10.635
210 HB2 LYS 29 HB2 LYS 29 -0.303 -5.582 11.424
211 HB3 LYS 29 HB3 LYS 29 -0.939 -6.299 9.950
212 HG2 LYS 29 HG2 LYS 29 -1.003 -3.394 10.730
213 HG3 LYS 29 HG3 LYS 29 -0.061 -4.138 9.437
214 HD2 LYS 29 HD2 LYS 29 -3.073 -4.008 9.573
215 HD3 LYS 29 HD3 LYS 29 -2.043 -2.988 8.566
216 HE2 LYS 29 HE2 LYS 29 -1.237 -4.975 7.385
217 HE3 LYS 29 HE3 LYS 29 -2.261 -5.994 8.396
218 HZ1 LYS 29 HZ1 LYS 29 -2.936 -4.583 6.043
219 HZ2 LYS 29 HZ2 LYS 29 -3.908 -4.049 7.319
220 HZ3 LYS 29 HZ3 LYS 29 -3.865 -5.691 6.920
221 H ARG 30 H ARG 30 -1.981 -5.649 13.870
222 HA ARG 30 HA ARG 30 -2.850 -8.194 14.673
223 HB2 ARG 30 HB2 ARG 30 -0.613 -9.201 15.190
224 HB3 ARG 30 HB3 ARG 30 -0.993 -9.113 13.476
225 HG2 ARG 30 HG2 ARG 30 0.327 -6.739 13.974
226 HG3 ARG 30 HG3 ARG 30 1.191 -7.923 14.956
227 HD2 ARG 30 HD2 ARG 30 0.710 -7.958 11.989
228 HD3 ARG 30 HD3 ARG 30 2.252 -7.911 12.841
229 HE ARG 30 HE ARG 30 1.194 -10.240 13.678
230 HH11 ARG 30 HH11 ARG 30 1.633 -8.853 10.515
231 HH12 ARG 30 HH12 ARG 30 1.815 -10.384 9.725
232 HH21 ARG 30 HH21 ARG 30 1.432 -12.263 12.649
233 HH22 ARG 30 HH22 ARG 30 1.700 -12.323 10.940
234 H ALA 31 H ALA 31 -1.422 -8.758 16.860
235 HA ALA 31 HA ALA 31 -1.476 -6.246 18.403
236 HB1 ALA 31 HB1 ALA 31 -3.268 -7.597 19.149
237 HB2 ALA 31 HB2 ALA 31 -2.255 -9.040 19.198
238 HB3 ALA 31 HB3 ALA 31 -2.000 -7.745 20.366
239 H ILE 32 H ILE 32 0.679 -5.713 18.307
240 HA ILE 32 HA ILE 32 2.490 -7.534 19.736
241 HB ILE 32 HB ILE 32 3.207 -5.964 17.257
242 HG12 ILE 32 HG12 ILE 32 1.897 -8.019 16.821
243 HG13 ILE 32 HG13 ILE 32 3.544 -8.136 16.210
244 HG21 ILE 32 HG21 ILE 32 5.038 -5.988 18.850
245 HG22 ILE 32 HG22 ILE 32 4.902 -7.738 19.008
246 HG23 ILE 32 HG23 ILE 32 5.409 -7.030 17.476
247 HD11 ILE 32 HD11 ILE 32 3.442 -9.137 18.885
248 HD12 ILE 32 HD12 ILE 32 2.202 -9.917 17.902
249 HD13 ILE 32 HD13 ILE 32 3.890 -9.966 17.394
250 H LYS 33 H LYS 33 2.680 -6.452 21.616
251 HA LYS 33 HA LYS 33 2.909 -3.575 21.694
252 HB2 LYS 33 HB2 LYS 33 3.185 -3.951 24.159
253 HB3 LYS 33 HB3 LYS 33 1.695 -4.599 23.484
254 HG2 LYS 33 HG2 LYS 33 3.590 -6.665 23.327
255 HG3 LYS 33 HG3 LYS 33 3.765 -5.942 24.928
256 HD2 LYS 33 HD2 LYS 33 1.057 -6.079 24.687
257 HD3 LYS 33 HD3 LYS 33 1.561 -7.515 23.793
258 HE2 LYS 33 HE2 LYS 33 1.218 -8.135 26.080
259 HE3 LYS 33 HE3 LYS 33 2.949 -8.168 25.753
260 HZ1 LYS 33 HZ1 LYS 33 1.406 -6.240 27.356
261 HZ2 LYS 33 HZ2 LYS 33 2.878 -5.774 26.666
262 HZ3 LYS 33 HZ3 LYS 33 2.828 -7.065 27.757
263 H ASN 34 H ASN 34 4.777 -2.752 20.967
264 HA ASN 34 HA ASN 34 7.273 -3.859 22.075
265 HB2 ASN 34 HB2 ASN 34 6.803 -2.690 19.324
266 HB3 ASN 34 HB3 ASN 34 8.390 -3.087 19.975
267 HD21 ASN 34 HD21 ASN 34 7.253 -4.167 17.626
268 HD22 ASN 34 HD22 ASN 34 7.058 -5.866 17.867
269 H GLU 35 H GLU 35 7.701 -2.457 23.691
270 HA GLU 35 HA GLU 35 7.202 0.352 23.491
271 HB2 GLU 35 HB2 GLU 35 7.598 -1.401 25.571
272 HB3 GLU 35 HB3 GLU 35 9.106 -0.497 25.550
273 HG2 GLU 35 HG2 GLU 35 6.323 0.506 25.993
274 HG3 GLU 35 HG3 GLU 35 7.740 0.673 27.027
275 H GLN 36 H GLN 36 10.082 -1.696 23.319
276 HA GLN 36 HA GLN 36 11.907 0.475 23.027
277 HB2 GLN 36 HB2 GLN 36 12.215 -2.129 23.654
278 HB3 GLN 36 HB3 GLN 36 12.649 -2.183 21.951
279 HG2 GLN 36 HG2 GLN 36 14.009 0.021 22.992
280 HG3 GLN 36 HG3 GLN 36 14.172 -1.252 24.200
281 HE21 GLN 36 HE21 GLN 36 14.074 -1.228 20.654
282 HE22 GLN 36 HE22 GLN 36 15.557 -2.089 20.436
283 H LEU 37 H LEU 37 10.511 -1.865 20.740
284 HA LEU 37 HA LEU 37 11.758 -0.876 18.435
285 HB2 LEU 37 HB2 LEU 37 10.373 -3.034 18.837
286 HB3 LEU 37 HB3 LEU 37 8.998 -2.031 18.382
287 HG LEU 37 HG LEU 37 10.382 -1.531 16.248
288 HD11 LEU 37 HD11 LEU 37 12.010 -3.076 15.603
289 HD12 LEU 37 HD12 LEU 37 11.578 -4.207 16.886
290 HD13 LEU 37 HD13 LEU 37 12.408 -2.702 17.281
291 HD21 LEU 37 HD21 LEU 37 9.494 -3.611 15.195
292 HD22 LEU 37 HD22 LEU 37 8.312 -2.726 16.160
293 HD23 LEU 37 HD23 LEU 37 9.067 -4.185 16.807
294 H LEU 38 H LEU 38 8.741 0.030 20.021
295 HA LEU 38 HA LEU 38 7.760 1.744 18.018
296 HB2 LEU 38 HB2 LEU 38 6.341 0.962 19.801
297 HB3 LEU 38 HB3 LEU 38 7.350 1.762 21.004
298 HG LEU 38 HG LEU 38 5.081 2.815 20.325
299 HD11 LEU 38 HD11 LEU 38 7.068 4.937 20.126
300 HD12 LEU 38 HD12 LEU 38 7.392 3.795 21.430
301 HD13 LEU 38 HD13 LEU 38 5.845 4.638 21.361
302 HD21 LEU 38 HD21 LEU 38 6.617 4.264 18.250
303 HD22 LEU 38 HD22 LEU 38 4.889 3.924 18.356
304 HD23 LEU 38 HD23 LEU 38 6.006 2.665 17.828
305 H GLN 39 H GLN 39 9.747 2.403 20.888
306 HA GLN 39 HA GLN 39 9.940 5.184 20.516
307 HB2 GLN 39 HB2 GLN 39 10.769 3.406 22.436
308 HB3 GLN 39 HB3 GLN 39 12.294 3.911 21.719
309 HG2 GLN 39 HG2 GLN 39 10.196 5.783 22.794
310 HG3 GLN 39 HG3 GLN 39 11.633 5.261 23.671
311 HE21 GLN 39 HE21 GLN 39 10.339 7.513 21.532
312 HE22 GLN 39 HE22 GLN 39 11.806 8.307 21.085
313 H LEU 40 H LEU 40 12.212 2.582 19.645
314 HA LEU 40 HA LEU 40 14.101 4.223 18.376
315 HB2 LEU 40 HB2 LEU 40 13.971 1.600 19.023
316 HB3 LEU 40 HB3 LEU 40 13.735 1.516 17.278
317 HG LEU 40 HG LEU 40 16.113 2.664 18.735
318 HD11 LEU 40 HD11 LEU 40 15.630 0.184 17.120
319 HD12 LEU 40 HD12 LEU 40 16.326 0.339 18.732
320 HD13 LEU 40 HD13 LEU 40 17.247 0.859 17.321
321 HD21 LEU 40 HD21 LEU 40 15.208 2.890 15.910
322 HD22 LEU 40 HD22 LEU 40 16.931 2.691 16.230
323 HD23 LEU 40 HD23 LEU 40 16.057 4.058 16.923
324 H ILE 41 H ILE 41 11.473 2.268 16.974
325 HA ILE 41 HA ILE 41 11.873 3.045 14.311
326 HB ILE 41 HB ILE 41 9.391 2.093 15.733
327 HG12 ILE 41 HG12 ILE 41 11.280 0.498 15.517
328 HG13 ILE 41 HG13 ILE 41 9.857 -0.014 14.616
329 HG21 ILE 41 HG21 ILE 41 9.816 2.676 12.811
330 HG22 ILE 41 HG22 ILE 41 8.509 1.665 13.422
331 HG23 ILE 41 HG23 ILE 41 8.598 3.364 13.885
332 HD11 ILE 41 HD11 ILE 41 11.858 -0.410 13.331
333 HD12 ILE 41 HD12 ILE 41 10.882 0.838 12.557
334 HD13 ILE 41 HD13 ILE 41 12.319 1.285 13.477
335 H PHE 42 H PHE 42 10.119 4.559 16.939
336 HA PHE 42 HA PHE 42 8.599 6.393 15.468
337 HB2 PHE 42 HB2 PHE 42 8.066 6.132 17.764
338 HB3 PHE 42 HB3 PHE 42 9.720 6.468 18.265
339 HD1 PHE 42 HD2 PHE 42 6.922 8.108 16.422
340 HD2 PHE 42 HD1 PHE 42 10.180 8.543 19.125
341 HE1 PHE 42 HE2 PHE 42 6.336 10.477 16.743
342 HE2 PHE 42 HE1 PHE 42 9.600 10.912 19.450
343 HZ PHE 42 HZ PHE 42 7.676 11.882 18.256
344 H LYS 43 H LYS 43 11.814 6.766 16.948
345 HA LYS 43 HA LYS 43 12.215 9.392 15.914
346 HB2 LYS 43 HB2 LYS 43 13.408 7.926 17.865
347 HB3 LYS 43 HB3 LYS 43 14.598 7.781 16.579
348 HG2 LYS 43 HG2 LYS 43 14.895 10.131 16.470
349 HG3 LYS 43 HG3 LYS 43 13.500 10.420 17.511
350 HD2 LYS 43 HD2 LYS 43 15.466 10.715 18.835
351 HD3 LYS 43 HD3 LYS 43 14.712 9.199 19.330
352 HE2 LYS 43 HE2 LYS 43 17.086 8.865 19.152
353 HE3 LYS 43 HE3 LYS 43 16.289 7.988 17.847
354 HZ1 LYS 43 HZ1 LYS 43 16.847 10.516 16.871
355 HZ2 LYS 43 HZ2 LYS 43 17.599 9.063 16.444
356 HZ3 LYS 43 HZ3 LYS 43 18.246 10.020 17.681
357 H SER 44 H SER 44 12.845 6.171 14.750
358 HA SER 44 HA SER 44 14.706 6.886 12.721
359 HB2 SER 44 HB2 SER 44 13.332 4.476 13.610
360 HB3 SER 44 HB3 SER 44 13.454 4.558 11.853
361 HG SER 44 HG SER 44 15.727 5.192 13.337
362 H ILE 45 H ILE 45 11.225 6.142 12.637
363 HA ILE 45 HA ILE 45 10.902 6.700 9.883
364 HB ILE 45 HB ILE 45 8.862 6.707 12.111
365 HG12 ILE 45 HG12 ILE 45 9.573 4.611 10.046
366 HG13 ILE 45 HG13 ILE 45 9.976 4.543 11.759
367 HG21 ILE 45 HG21 ILE 45 7.660 6.129 9.632
368 HG22 ILE 45 HG22 ILE 45 7.409 7.542 10.658
369 HG23 ILE 45 HG23 ILE 45 8.641 7.576 9.395
370 HD11 ILE 45 HD11 ILE 45 7.528 4.575 12.244
371 HD12 ILE 45 HD12 ILE 45 7.247 4.405 10.511
372 HD13 ILE 45 HD13 ILE 45 8.100 3.140 11.395
373 H ASP 46 H ASP 46 10.595 8.669 12.789
374 HA ASP 46 HA ASP 46 9.577 10.959 11.383
375 HB2 ASP 46 HB2 ASP 46 9.365 10.267 13.929
376 HB3 ASP 46 HB3 ASP 46 10.856 11.196 14.072
377 H ALA 47 H ALA 47 10.729 12.334 10.217
378 HA ALA 47 HA ALA 47 13.524 12.163 9.925
379 HB1 ALA 47 HB1 ALA 47 11.906 13.050 8.229
380 HB2 ALA 47 HB2 ALA 47 11.816 14.530 9.185
381 HB3 ALA 47 HB3 ALA 47 13.349 14.036 8.467
382 H ASP 48 H ASP 48 11.475 14.396 11.755
383 HA ASP 48 HA ASP 48 13.898 15.552 12.961
384 HB2 ASP 48 HB2 ASP 48 12.423 17.434 13.643
385 HB3 ASP 48 HB3 ASP 48 12.506 17.224 11.897
386 H GLY 49 H GLY 49 11.220 13.539 13.554
387 HA2 GLY 49 HA2 GLY 49 10.462 12.476 15.441
388 HA3 GLY 49 HA3 GLY 49 12.046 12.812 16.125
389 H ASN 50 H ASN 50 9.791 15.291 15.079
390 HA ASN 50 HA ASN 50 9.838 16.438 17.739
391 HB2 ASN 50 HB2 ASN 50 8.624 18.321 16.693
392 HB3 ASN 50 HB3 ASN 50 10.104 17.924 15.824
393 HD21 ASN 50 HD21 ASN 50 8.061 19.386 14.680
394 HD22 ASN 50 HD22 ASN 50 7.341 18.457 13.413
395 H GLY 51 H GLY 51 8.643 14.707 18.776
396 HA2 GLY 51 HA2 GLY 51 6.716 13.979 19.800
397 HA3 GLY 51 HA3 GLY 51 5.884 15.334 19.050
398 H GLU 52 H GLU 52 6.230 14.768 16.370
399 HA GLU 52 HA GLU 52 5.337 12.055 15.881
400 HB2 GLU 52 HB2 GLU 52 3.294 12.963 14.628
401 HB3 GLU 52 HB3 GLU 52 3.206 12.895 16.382
402 HG2 GLU 52 HG2 GLU 52 2.305 14.982 15.345
403 HG3 GLU 52 HG3 GLU 52 3.535 15.228 16.583
404 H ILE 53 H ILE 53 4.962 11.681 13.515
405 HA ILE 53 HA ILE 53 6.990 13.149 12.006
406 HB ILE 53 HB ILE 53 5.549 10.719 10.996
407 HG12 ILE 53 HG12 ILE 53 7.966 9.840 12.085
408 HG13 ILE 53 HG13 ILE 53 7.277 10.884 13.324
409 HG21 ILE 53 HG21 ILE 53 8.008 10.430 10.104
410 HG22 ILE 53 HG22 ILE 53 6.865 11.503 9.297
411 HG23 ILE 53 HG23 ILE 53 8.076 12.169 10.391
412 HD11 ILE 53 HD11 ILE 53 5.182 9.262 12.395
413 HD12 ILE 53 HD12 ILE 53 6.580 8.210 12.625
414 HD13 ILE 53 HD13 ILE 53 5.995 9.204 13.959
415 H ASP 54 H ASP 54 6.471 14.616 10.532
416 HA ASP 54 HA ASP 54 3.727 15.165 9.905
417 HB2 ASP 54 HB2 ASP 54 6.084 16.396 8.498
418 HB3 ASP 54 HB3 ASP 54 4.508 17.107 8.830
419 H GLN 55 H GLN 55 2.892 15.343 7.708
420 HA GLN 55 HA GLN 55 3.053 12.982 6.273
421 HB2 GLN 55 HB2 GLN 55 1.955 14.257 4.419
422 HB3 GLN 55 HB3 GLN 55 1.167 14.427 5.981
423 HG2 GLN 55 HG2 GLN 55 2.397 16.587 6.267
424 HG3 GLN 55 HG3 GLN 55 2.933 16.424 4.595
425 HE21 GLN 55 HE21 GLN 55 1.832 17.786 3.389
426 HE22 GLN 55 HE22 GLN 55 0.127 18.060 3.458
427 H ASN 56 H ASN 56 4.706 16.062 5.662
428 HA ASN 56 HA ASN 56 5.979 15.356 3.280
429 HB2 ASN 56 HB2 ASN 56 5.885 17.607 4.809
430 HB3 ASN 56 HB3 ASN 56 7.536 17.073 5.107
431 HD21 ASN 56 HD21 ASN 56 5.554 18.811 3.089
432 HD22 ASN 56 HD22 ASN 56 6.604 18.939 1.722
433 H GLU 57 H GLU 57 7.147 15.106 6.631
434 HA GLU 57 HA GLU 57 9.665 14.039 6.069
435 HB2 GLU 57 HB2 GLU 57 7.948 13.443 8.484
436 HB3 GLU 57 HB3 GLU 57 9.695 13.277 8.377
437 HG2 GLU 57 HG2 GLU 57 10.022 15.598 8.312
438 HG3 GLU 57 HG3 GLU 57 8.323 15.910 7.960
439 H PHE 58 H PHE 58 6.544 12.447 6.524
440 HA PHE 58 HA PHE 58 7.503 9.795 6.483
441 HB2 PHE 58 HB2 PHE 58 5.185 10.677 7.190
442 HB3 PHE 58 HB3 PHE 58 4.784 10.601 5.478
443 HD1 PHE 58 HD1 PHE 58 4.894 8.399 4.297
444 HD2 PHE 58 HD2 PHE 58 5.193 8.746 8.528
445 HE1 PHE 58 HE1 PHE 58 4.349 6.011 4.527
446 HE2 PHE 58 HE2 PHE 58 4.650 6.358 8.766
447 HZ PHE 58 HZ PHE 58 4.228 4.988 6.764
448 H ALA 59 H ALA 59 6.351 11.949 3.925
449 HA ALA 59 HA ALA 59 6.383 10.092 1.821
450 HB1 ALA 59 HB1 ALA 59 6.975 12.475 0.605
451 HB2 ALA 59 HB2 ALA 59 5.354 11.897 0.996
452 HB3 ALA 59 HB3 ALA 59 6.190 12.990 2.099
453 H LYS 60 H LYS 60 8.851 12.467 2.804
454 HA LYS 60 HA LYS 60 10.778 11.636 0.907
455 HB2 LYS 60 HB2 LYS 60 11.205 13.052 3.545
456 HB3 LYS 60 HB3 LYS 60 12.364 12.960 2.226
457 HG2 LYS 60 HG2 LYS 60 9.672 14.101 1.680
458 HG3 LYS 60 HG3 LYS 60 10.848 15.074 2.567
459 HD2 LYS 60 HD2 LYS 60 11.531 13.728 -0.032
460 HD3 LYS 60 HD3 LYS 60 10.788 15.328 0.024
461 HE2 LYS 60 HE2 LYS 60 13.358 14.576 1.412
462 HE3 LYS 60 HE3 LYS 60 13.264 15.382 -0.154
463 HZ1 LYS 60 HZ1 LYS 60 12.282 16.439 2.441
464 HZ2 LYS 60 HZ2 LYS 60 12.041 17.196 0.949
465 HZ3 LYS 60 HZ3 LYS 60 13.608 17.004 1.556
466 H PHE 61 H PHE 61 9.840 10.422 4.002
467 HA PHE 61 HA PHE 61 12.265 8.926 4.443
468 HB2 PHE 61 HB2 PHE 61 11.210 9.547 6.442
469 HB3 PHE 61 HB3 PHE 61 9.613 9.108 5.844
470 HD1 PHE 61 HD1 PHE 61 12.861 7.288 6.117
471 HD2 PHE 61 HD2 PHE 61 8.714 7.400 7.074
472 HE1 PHE 61 HE1 PHE 61 13.058 5.094 7.214
473 HE2 PHE 61 HE2 PHE 61 8.906 5.207 8.172
474 HZ PHE 61 HZ PHE 61 11.080 4.051 8.243
475 H TYR 62 H TYR 62 9.090 8.355 3.090
476 HA TYR 62 HA TYR 62 9.076 5.562 3.076
477 HB2 TYR 62 HB2 TYR 62 7.063 6.746 2.551
478 HB3 TYR 62 HB3 TYR 62 7.825 7.561 1.189
479 HD1 TYR 62 HD1 TYR 62 6.408 4.389 2.388
480 HD2 TYR 62 HD2 TYR 62 8.087 6.449 -0.934
481 HE1 TYR 62 HE1 TYR 62 5.621 2.603 0.891
482 HE2 TYR 62 HE2 TYR 62 7.304 4.670 -2.441
483 HH TYR 62 HH TYR 62 6.338 1.690 -1.419
484 H GLY 63 H GLY 63 10.439 4.188 2.155
485 HA2 GLY 63 HA2 GLY 63 11.532 3.183 0.336
486 HA3 GLY 63 HA3 GLY 63 11.387 4.691 -0.555
487 H SER 64 H SER 64 12.481 5.429 2.477
488 HA SER 64 HA SER 64 14.474 6.248 3.224
489 HB2 SER 64 HB2 SER 64 14.942 3.903 3.597
490 HB3 SER 64 HB3 SER 64 15.419 3.688 1.913
491 HG SER 64 HG SER 64 17.187 5.040 2.291
492 H ILE 65 H ILE 65 13.800 7.692 1.141
493 HA ILE 65 HA ILE 65 15.975 7.688 -0.807
494 HB ILE 65 HB ILE 65 13.696 9.644 -0.776
495 HG12 ILE 65 HG12 ILE 65 13.690 6.853 -1.945
496 HG13 ILE 65 HG13 ILE 65 12.692 7.423 -0.612
497 HG21 ILE 65 HG21 ILE 65 14.595 8.628 -3.330
498 HG22 ILE 65 HG22 ILE 65 14.495 10.289 -2.750
499 HG23 ILE 65 HG23 ILE 65 15.923 9.317 -2.398
500 HD11 ILE 65 HD11 ILE 65 12.571 8.444 -3.440
501 HD12 ILE 65 HD12 ILE 65 11.449 7.295 -2.708
502 HD13 ILE 65 HD13 ILE 65 11.540 8.948 -2.101
503 H GLN 66 H GLN 66 16.032 8.606 2.140
504 HA GLN 66 HA GLN 66 16.407 11.372 2.250
505 HB2 GLN 66 HB2 GLN 66 17.697 9.185 3.891
506 HB3 GLN 66 HB3 GLN 66 17.768 10.898 4.284
507 HG2 GLN 66 HG2 GLN 66 15.401 10.986 4.618
508 HG3 GLN 66 HG3 GLN 66 15.211 9.336 4.027
509 HE21 GLN 66 HE21 GLN 66 15.490 7.665 5.398
510 HE22 GLN 66 HE22 GLN 66 15.890 7.832 7.070
Start of MODEL 10
1 H1 MET 1 H MET 1 0.144 4.149 -3.863
2 HA MET 1 HA MET 1 -0.962 3.821 -1.522
3 HB2 MET 1 HB2 MET 1 -0.454 1.055 -2.592
4 HB3 MET 1 HB3 MET 1 -0.515 1.373 -0.864
5 HG2 MET 1 HG2 MET 1 -2.787 2.230 -1.100
6 HG3 MET 1 HG3 MET 1 -2.725 1.917 -2.832
7 HE1 MET 1 HE1 MET 1 -5.167 -0.858 -1.984
8 HE2 MET 1 HE2 MET 1 -5.143 0.550 -0.923
9 HE3 MET 1 HE3 MET 1 -4.896 0.749 -2.658
10 H ALA 2 H ALA 2 1.008 5.243 -1.753
11 HA ALA 2 HA ALA 2 3.418 3.788 -0.879
12 HB1 ALA 2 HB1 ALA 2 3.214 6.376 -2.410
13 HB2 ALA 2 HB2 ALA 2 4.714 5.704 -1.770
14 HB3 ALA 2 HB3 ALA 2 3.815 4.830 -3.009
15 H GLU 3 H GLU 3 2.418 7.202 -0.756
16 HA GLU 3 HA GLU 3 3.099 7.204 2.103
17 HB2 GLU 3 HB2 GLU 3 3.479 9.569 1.910
18 HB3 GLU 3 HB3 GLU 3 4.348 8.762 0.611
19 HG2 GLU 3 HG2 GLU 3 1.811 9.382 -0.412
20 HG3 GLU 3 HG3 GLU 3 2.357 10.810 0.465
21 H ALA 4 H ALA 4 0.519 7.563 -0.131
22 HA ALA 4 HA ALA 4 -1.268 9.200 1.205
23 HB1 ALA 4 HB1 ALA 4 -2.820 7.151 0.105
24 HB2 ALA 4 HB2 ALA 4 -2.389 8.689 -0.643
25 HB3 ALA 4 HB3 ALA 4 -1.387 7.263 -0.918
26 H LEU 5 H LEU 5 -0.223 5.994 1.984
27 HA LEU 5 HA LEU 5 -2.383 5.160 3.580
28 HB2 LEU 5 HB2 LEU 5 0.445 4.417 4.208
29 HB3 LEU 5 HB3 LEU 5 -1.014 3.435 4.315
30 HG LEU 5 HG LEU 5 0.495 4.205 1.822
31 HD11 LEU 5 HD11 LEU 5 0.563 1.955 3.602
32 HD12 LEU 5 HD12 LEU 5 1.570 2.303 2.197
33 HD13 LEU 5 HD13 LEU 5 0.041 1.448 1.995
34 HD21 LEU 5 HD21 LEU 5 -1.579 4.219 0.916
35 HD22 LEU 5 HD22 LEU 5 -2.277 3.250 2.215
36 HD23 LEU 5 HD23 LEU 5 -1.339 2.471 0.939
37 H PHE 6 H PHE 6 0.497 7.062 4.314
38 HA PHE 6 HA PHE 6 0.188 7.134 7.110
39 HB2 PHE 6 HB2 PHE 6 2.290 7.819 6.368
40 HB3 PHE 6 HB3 PHE 6 1.619 8.862 5.119
41 HD1 PHE 6 HD1 PHE 6 0.572 11.029 5.767
42 HD2 PHE 6 HD2 PHE 6 2.750 8.632 8.529
43 HE1 PHE 6 HE1 PHE 6 0.808 12.970 7.260
44 HE2 PHE 6 HE2 PHE 6 2.989 10.570 10.027
45 HZ PHE 6 HZ PHE 6 2.017 12.742 9.393
46 H LYS 7 H LYS 7 -0.895 9.374 4.576
47 HA LYS 7 HA LYS 7 -2.192 11.145 6.405
48 HB2 LYS 7 HB2 LYS 7 -1.964 10.885 3.456
49 HB3 LYS 7 HB3 LYS 7 -3.356 11.768 4.067
50 HG2 LYS 7 HG2 LYS 7 -0.503 12.388 4.798
51 HG3 LYS 7 HG3 LYS 7 -1.408 13.199 3.517
52 HD2 LYS 7 HD2 LYS 7 -2.207 13.116 6.427
53 HD3 LYS 7 HD3 LYS 7 -1.401 14.472 5.633
54 HE2 LYS 7 HE2 LYS 7 -3.398 15.254 5.054
55 HE3 LYS 7 HE3 LYS 7 -3.618 13.835 4.032
56 HZ1 LYS 7 HZ1 LYS 7 -5.205 13.131 5.380
57 HZ2 LYS 7 HZ2 LYS 7 -5.042 14.528 6.320
58 HZ3 LYS 7 HZ3 LYS 7 -4.152 13.141 6.705
59 H GLU 8 H GLU 8 -3.106 8.262 4.703
60 HA GLU 8 HA GLU 8 -5.920 8.605 4.841
61 HB2 GLU 8 HB2 GLU 8 -4.763 7.010 3.315
62 HB3 GLU 8 HB3 GLU 8 -4.360 6.020 4.712
63 HG2 GLU 8 HG2 GLU 8 -6.244 4.928 4.287
64 HG3 GLU 8 HG3 GLU 8 -7.070 6.331 4.963
65 H ILE 9 H ILE 9 -3.559 7.015 6.942
66 HA ILE 9 HA ILE 9 -5.451 5.956 8.768
67 HB ILE 9 HB ILE 9 -2.519 6.579 9.120
68 HG12 ILE 9 HG12 ILE 9 -3.117 4.836 7.440
69 HG13 ILE 9 HG13 ILE 9 -2.189 4.205 8.795
70 HG21 ILE 9 HG21 ILE 9 -2.723 4.980 11.071
71 HG22 ILE 9 HG22 ILE 9 -3.418 6.584 11.300
72 HG23 ILE 9 HG23 ILE 9 -4.468 5.210 10.953
73 HD11 ILE 9 HD11 ILE 9 -5.076 4.055 9.177
74 HD12 ILE 9 HD12 ILE 9 -4.479 3.119 7.806
75 HD13 ILE 9 HD13 ILE 9 -3.829 2.833 9.422
76 H ASP 10 H ASP 10 -4.069 9.088 8.344
77 HA ASP 10 HA ASP 10 -4.519 10.039 11.002
78 HB2 ASP 10 HB2 ASP 10 -3.713 11.236 8.400
79 HB3 ASP 10 HB3 ASP 10 -4.406 12.319 9.605
80 H VAL 11 H VAL 11 -6.738 9.191 11.181
81 HA VAL 11 HA VAL 11 -8.887 10.143 9.651
82 HB VAL 11 HB VAL 11 -9.023 9.372 12.565
83 HG11 VAL 11 HG11 VAL 11 -11.154 9.993 12.177
84 HG12 VAL 11 HG12 VAL 11 -10.988 9.854 10.425
85 HG13 VAL 11 HG13 VAL 11 -11.264 8.412 11.403
86 HG21 VAL 11 HG21 VAL 11 -7.895 7.566 11.599
87 HG22 VAL 11 HG22 VAL 11 -9.589 7.079 11.564
88 HG23 VAL 11 HG23 VAL 11 -8.813 7.675 10.097
89 H ASN 12 H ASN 12 -6.954 11.708 11.983
90 HA ASN 12 HA ASN 12 -8.965 13.688 12.677
91 HB2 ASN 12 HB2 ASN 12 -6.778 14.706 13.797
92 HB3 ASN 12 HB3 ASN 12 -7.658 13.372 14.537
93 HD21 ASN 12 HD21 ASN 12 -5.426 13.474 11.790
94 HD22 ASN 12 HD22 ASN 12 -4.295 12.345 12.446
95 H GLY 13 H GLY 13 -7.075 13.172 10.057
96 HA2 GLY 13 HA2 GLY 13 -6.246 14.491 8.366
97 HA3 GLY 13 HA3 GLY 13 -7.559 15.576 8.799
98 H ASP 14 H ASP 14 -4.608 14.649 10.554
99 HA ASP 14 HA ASP 14 -3.988 17.510 10.822
100 HB2 ASP 14 HB2 ASP 14 -2.633 16.871 12.765
101 HB3 ASP 14 HB3 ASP 14 -4.292 16.304 12.937
102 H GLY 15 H GLY 15 -2.987 14.649 9.292
103 HA2 GLY 15 HA2 GLY 15 -1.238 14.228 7.861
104 HA3 GLY 15 HA3 GLY 15 -0.859 15.942 7.935
105 H ALA 16 H ALA 16 -0.989 14.359 10.956
106 HA ALA 16 HA ALA 16 1.919 13.934 10.961
107 HB1 ALA 16 HB1 ALA 16 1.801 14.899 13.369
108 HB2 ALA 16 HB2 ALA 16 1.876 16.001 11.993
109 HB3 ALA 16 HB3 ALA 16 0.333 15.688 12.788
110 H VAL 17 H VAL 17 2.600 12.175 12.068
111 HA VAL 17 HA VAL 17 0.593 10.701 13.647
112 HB VAL 17 HB VAL 17 2.614 9.587 11.703
113 HG11 VAL 17 HG11 VAL 17 1.800 8.440 14.127
114 HG12 VAL 17 HG12 VAL 17 0.894 7.602 12.864
115 HG13 VAL 17 HG13 VAL 17 2.656 7.656 12.800
116 HG21 VAL 17 HG21 VAL 17 0.738 8.733 10.515
117 HG22 VAL 17 HG22 VAL 17 -0.369 9.181 11.812
118 HG23 VAL 17 HG23 VAL 17 0.409 10.433 10.844
119 H SER 18 H SER 18 1.194 10.752 15.706
120 HA SER 18 HA SER 18 3.972 11.040 16.455
121 HB2 SER 18 HB2 SER 18 2.493 10.576 18.779
122 HB3 SER 18 HB3 SER 18 2.960 12.148 18.127
123 HG SER 18 HG SER 18 0.920 12.481 17.819
124 H TYR 19 H TYR 19 4.626 9.640 18.470
125 HA TYR 19 HA TYR 19 5.193 7.090 17.630
126 HB2 TYR 19 HB2 TYR 19 5.691 6.567 19.999
127 HB3 TYR 19 HB3 TYR 19 6.354 8.120 19.501
128 HD1 TYR 19 HD2 TYR 19 5.222 10.226 20.232
129 HD2 TYR 19 HD1 TYR 19 4.102 6.414 21.756
130 HE1 TYR 19 HE2 TYR 19 4.086 11.321 22.119
131 HE2 TYR 19 HE1 TYR 19 2.961 7.498 23.646
132 HH TYR 19 HH TYR 19 2.326 10.846 23.734
133 H GLU 20 H GLU 20 2.495 8.119 19.697
134 HA GLU 20 HA GLU 20 1.414 5.582 20.180
135 HB2 GLU 20 HB2 GLU 20 0.507 8.370 20.414
136 HB3 GLU 20 HB3 GLU 20 -0.787 7.205 20.177
137 HG2 GLU 20 HG2 GLU 20 0.814 6.035 22.102
138 HG3 GLU 20 HG3 GLU 20 0.818 7.748 22.522
139 H GLU 21 H GLU 21 0.601 7.970 17.668
140 HA GLU 21 HA GLU 21 -1.419 6.533 16.403
141 HB2 GLU 21 HB2 GLU 21 0.478 8.671 15.545
142 HB3 GLU 21 HB3 GLU 21 -0.463 7.847 14.310
143 HG2 GLU 21 HG2 GLU 21 -2.385 8.427 16.131
144 HG3 GLU 21 HG3 GLU 21 -1.294 9.797 16.329
145 H VAL 22 H VAL 22 2.079 6.362 16.023
146 HA VAL 22 HA VAL 22 2.133 4.711 13.740
147 HB VAL 22 HB VAL 22 4.137 5.070 15.967
148 HG11 VAL 22 HG11 VAL 22 4.951 3.097 15.229
149 HG12 VAL 22 HG12 VAL 22 4.115 3.207 13.679
150 HG13 VAL 22 HG13 VAL 22 5.613 4.101 13.940
151 HG21 VAL 22 HG21 VAL 22 5.293 6.497 14.458
152 HG22 VAL 22 HG22 VAL 22 4.247 6.034 13.115
153 HG23 VAL 22 HG23 VAL 22 3.603 7.000 14.442
154 H LYS 23 H LYS 23 2.524 3.863 17.182
155 HA LYS 23 HA LYS 23 2.679 1.107 16.887
156 HB2 LYS 23 HB2 LYS 23 2.281 2.977 19.043
157 HB3 LYS 23 HB3 LYS 23 1.247 1.571 19.269
158 HG2 LYS 23 HG2 LYS 23 4.171 1.296 18.663
159 HG3 LYS 23 HG3 LYS 23 3.572 1.517 20.309
160 HD2 LYS 23 HD2 LYS 23 2.661 -0.674 18.447
161 HD3 LYS 23 HD3 LYS 23 3.924 -0.865 19.665
162 HE2 LYS 23 HE2 LYS 23 1.521 0.310 20.775
163 HE3 LYS 23 HE3 LYS 23 1.195 -1.247 20.017
164 HZ1 LYS 23 HZ1 LYS 23 1.929 -2.130 21.904
165 HZ2 LYS 23 HZ2 LYS 23 2.580 -0.668 22.451
166 HZ3 LYS 23 HZ3 LYS 23 3.486 -1.666 21.430
167 H ALA 24 H ALA 24 -0.149 3.201 17.061
168 HA ALA 24 HA ALA 24 -2.076 1.129 17.250
169 HB1 ALA 24 HB1 ALA 24 -2.984 3.561 15.916
170 HB2 ALA 24 HB2 ALA 24 -3.549 2.804 17.406
171 HB3 ALA 24 HB3 ALA 24 -2.138 3.862 17.435
172 H PHE 25 H PHE 25 -0.675 2.895 14.523
173 HA PHE 25 HA PHE 25 -2.290 2.008 12.469
174 HB2 PHE 25 HB2 PHE 25 -0.443 3.687 12.272
175 HB3 PHE 25 HB3 PHE 25 0.709 2.355 12.298
176 HD1 PHE 25 HD2 PHE 25 -2.258 1.393 10.651
177 HD2 PHE 25 HD1 PHE 25 1.356 3.572 10.097
178 HE1 PHE 25 HE2 PHE 25 -2.489 1.152 8.214
179 HE2 PHE 25 HE1 PHE 25 1.130 3.335 7.658
180 HZ PHE 25 HZ PHE 25 -0.794 2.122 6.714
181 H VAL 26 H VAL 26 0.682 0.467 13.684
182 HA VAL 26 HA VAL 26 0.455 -1.814 12.002
183 HB VAL 26 HB VAL 26 2.496 -0.832 13.417
184 HG11 VAL 26 HG11 VAL 26 1.623 -3.170 15.102
185 HG12 VAL 26 HG12 VAL 26 2.990 -2.087 15.372
186 HG13 VAL 26 HG13 VAL 26 1.340 -1.489 15.556
187 HG21 VAL 26 HG21 VAL 26 2.074 -2.984 11.775
188 HG22 VAL 26 HG22 VAL 26 3.639 -2.474 12.410
189 HG23 VAL 26 HG23 VAL 26 2.723 -3.738 13.230
190 H SER 27 H SER 27 -0.773 -0.988 15.157
191 HA SER 27 HA SER 27 -1.374 -3.585 16.073
192 HB2 SER 27 HB2 SER 27 -2.119 -0.823 16.817
193 HB3 SER 27 HB3 SER 27 -3.278 -2.067 17.283
194 HG SER 27 HG SER 27 -0.582 -2.563 17.791
195 H LYS 28 H LYS 28 -2.867 -1.551 13.733
196 HA LYS 28 HA LYS 28 -5.470 -2.718 13.818
197 HB2 LYS 28 HB2 LYS 28 -4.020 -1.023 11.796
198 HB3 LYS 28 HB3 LYS 28 -5.633 -1.651 11.490
199 HG2 LYS 28 HG2 LYS 28 -4.897 0.077 13.842
200 HG3 LYS 28 HG3 LYS 28 -5.612 0.670 12.341
201 HD2 LYS 28 HD2 LYS 28 -6.858 -1.362 14.192
202 HD3 LYS 28 HD3 LYS 28 -7.295 0.345 14.103
203 HE2 LYS 28 HE2 LYS 28 -7.562 -0.307 11.521
204 HE3 LYS 28 HE3 LYS 28 -7.901 -1.879 12.244
205 HZ1 LYS 28 HZ1 LYS 28 -9.408 0.628 12.458
206 HZ2 LYS 28 HZ2 LYS 28 -9.456 -0.455 13.756
207 HZ3 LYS 28 HZ3 LYS 28 -9.972 -0.949 12.222
208 H LYS 29 H LYS 29 -2.528 -3.922 12.835
209 HA LYS 29 HA LYS 29 -3.751 -5.724 10.855
210 HB2 LYS 29 HB2 LYS 29 -0.794 -5.411 11.321
211 HB3 LYS 29 HB3 LYS 29 -1.615 -6.058 9.906
212 HG2 LYS 29 HG2 LYS 29 -1.513 -3.184 10.791
213 HG3 LYS 29 HG3 LYS 29 -0.739 -3.898 9.374
214 HD2 LYS 29 HD2 LYS 29 -3.714 -3.709 9.852
215 HD3 LYS 29 HD3 LYS 29 -2.776 -2.674 8.773
216 HE2 LYS 29 HE2 LYS 29 -2.158 -4.632 7.441
217 HE3 LYS 29 HE3 LYS 29 -3.092 -5.665 8.523
218 HZ1 LYS 29 HZ1 LYS 29 -4.046 -4.568 6.270
219 HZ2 LYS 29 HZ2 LYS 29 -4.559 -3.435 7.417
220 HZ3 LYS 29 HZ3 LYS 29 -5.010 -5.058 7.571
221 H ARG 30 H ARG 30 -2.334 -5.545 13.983
222 HA ARG 30 HA ARG 30 -3.107 -8.152 14.691
223 HB2 ARG 30 HB2 ARG 30 -0.826 -9.128 15.041
224 HB3 ARG 30 HB3 ARG 30 -1.293 -8.957 13.355
225 HG2 ARG 30 HG2 ARG 30 -0.003 -6.581 13.917
226 HG3 ARG 30 HG3 ARG 30 0.935 -7.793 14.793
227 HD2 ARG 30 HD2 ARG 30 0.311 -7.684 11.853
228 HD3 ARG 30 HD3 ARG 30 1.891 -7.647 12.635
229 HE ARG 30 HE ARG 30 0.912 -10.041 13.389
230 HH11 ARG 30 HH11 ARG 30 1.211 -8.474 10.295
231 HH12 ARG 30 HH12 ARG 30 1.395 -9.956 9.417
232 HH21 ARG 30 HH21 ARG 30 1.153 -11.999 12.244
233 HH22 ARG 30 HH22 ARG 30 1.362 -11.960 10.526
234 H ALA 31 H ALA 31 -1.576 -8.794 16.777
235 HA ALA 31 HA ALA 31 -1.592 -6.365 18.447
236 HB1 ALA 31 HB1 ALA 31 -1.972 -9.159 19.486
237 HB2 ALA 31 HB2 ALA 31 -2.341 -7.628 20.283
238 HB3 ALA 31 HB3 ALA 31 -3.319 -8.170 18.920
239 H ILE 32 H ILE 32 0.551 -5.799 18.277
240 HA ILE 32 HA ILE 32 2.448 -7.662 19.533
241 HB ILE 32 HB ILE 32 4.213 -6.710 17.972
242 HG12 ILE 32 HG12 ILE 32 2.212 -6.241 15.882
243 HG13 ILE 32 HG13 ILE 32 2.169 -5.046 17.173
244 HG21 ILE 32 HG21 ILE 32 2.020 -8.469 16.887
245 HG22 ILE 32 HG22 ILE 32 3.603 -8.274 16.136
246 HG23 ILE 32 HG23 ILE 32 3.472 -8.980 17.746
247 HD11 ILE 32 HD11 ILE 32 4.853 -5.662 16.192
248 HD12 ILE 32 HD12 ILE 32 3.781 -4.932 14.997
249 HD13 ILE 32 HD13 ILE 32 4.088 -4.108 16.526
250 H LYS 33 H LYS 33 2.709 -6.662 21.450
251 HA LYS 33 HA LYS 33 2.931 -3.786 21.637
252 HB2 LYS 33 HB2 LYS 33 3.274 -4.258 24.076
253 HB3 LYS 33 HB3 LYS 33 1.766 -4.877 23.419
254 HG2 LYS 33 HG2 LYS 33 3.686 -6.924 23.141
255 HG3 LYS 33 HG3 LYS 33 3.840 -6.277 24.776
256 HD2 LYS 33 HD2 LYS 33 1.116 -6.841 23.709
257 HD3 LYS 33 HD3 LYS 33 2.122 -8.197 24.227
258 HE2 LYS 33 HE2 LYS 33 2.465 -6.906 26.392
259 HE3 LYS 33 HE3 LYS 33 1.155 -5.858 25.852
260 HZ1 LYS 33 HZ1 LYS 33 0.287 -8.481 25.556
261 HZ2 LYS 33 HZ2 LYS 33 -0.266 -7.328 26.662
262 HZ3 LYS 33 HZ3 LYS 33 0.989 -8.379 27.091
263 H ASN 34 H ASN 34 4.782 -2.947 20.877
264 HA ASN 34 HA ASN 34 7.303 -4.092 21.884
265 HB2 ASN 34 HB2 ASN 34 6.834 -2.782 19.196
266 HB3 ASN 34 HB3 ASN 34 8.385 -3.363 19.794
267 HD21 ASN 34 HD21 ASN 34 5.821 -4.099 17.885
268 HD22 ASN 34 HD22 ASN 34 5.973 -5.820 17.845
269 H GLU 35 H GLU 35 7.781 -2.735 23.524
270 HA GLU 35 HA GLU 35 7.285 0.081 23.410
271 HB2 GLU 35 HB2 GLU 35 8.170 -1.849 25.383
272 HB3 GLU 35 HB3 GLU 35 9.137 -0.382 25.453
273 HG2 GLU 35 HG2 GLU 35 6.425 0.389 25.224
274 HG3 GLU 35 HG3 GLU 35 6.530 -0.850 26.472
275 H GLN 36 H GLN 36 10.146 -1.975 23.096
276 HA GLN 36 HA GLN 36 11.984 0.185 22.836
277 HB2 GLN 36 HB2 GLN 36 12.295 -2.430 23.349
278 HB3 GLN 36 HB3 GLN 36 12.636 -2.445 21.624
279 HG2 GLN 36 HG2 GLN 36 14.078 -0.288 22.694
280 HG3 GLN 36 HG3 GLN 36 14.311 -1.643 23.796
281 HE21 GLN 36 HE21 GLN 36 14.775 -3.764 22.635
282 HE22 GLN 36 HE22 GLN 36 15.919 -3.687 21.342
283 H LEU 37 H LEU 37 10.493 -2.032 20.486
284 HA LEU 37 HA LEU 37 11.677 -0.929 18.194
285 HB2 LEU 37 HB2 LEU 37 8.950 -2.195 18.317
286 HB3 LEU 37 HB3 LEU 37 10.047 -2.128 16.938
287 HG LEU 37 HG LEU 37 10.389 -3.768 19.446
288 HD11 LEU 37 HD11 LEU 37 8.872 -4.309 17.248
289 HD12 LEU 37 HD12 LEU 37 9.594 -5.521 18.306
290 HD13 LEU 37 HD13 LEU 37 10.414 -5.050 16.817
291 HD21 LEU 37 HD21 LEU 37 12.266 -3.053 17.253
292 HD22 LEU 37 HD22 LEU 37 12.312 -4.694 17.895
293 HD23 LEU 37 HD23 LEU 37 12.578 -3.320 18.968
294 H LEU 38 H LEU 38 8.736 -0.095 19.943
295 HA LEU 38 HA LEU 38 7.644 1.679 18.059
296 HB2 LEU 38 HB2 LEU 38 6.320 0.862 19.884
297 HB3 LEU 38 HB3 LEU 38 7.415 1.584 21.061
298 HG LEU 38 HG LEU 38 5.132 2.709 20.581
299 HD11 LEU 38 HD11 LEU 38 7.291 4.710 20.348
300 HD12 LEU 38 HD12 LEU 38 7.408 3.577 21.693
301 HD13 LEU 38 HD13 LEU 38 5.972 4.586 21.513
302 HD21 LEU 38 HD21 LEU 38 5.905 2.659 18.021
303 HD22 LEU 38 HD22 LEU 38 6.546 4.237 18.479
304 HD23 LEU 38 HD23 LEU 38 4.827 3.892 18.674
305 H GLN 39 H GLN 39 9.782 2.269 20.837
306 HA GLN 39 HA GLN 39 9.964 5.058 20.507
307 HB2 GLN 39 HB2 GLN 39 11.211 3.020 22.142
308 HB3 GLN 39 HB3 GLN 39 12.389 4.220 21.624
309 HG2 GLN 39 HG2 GLN 39 9.772 4.906 22.937
310 HG3 GLN 39 HG3 GLN 39 11.289 4.691 23.811
311 HE21 GLN 39 HE21 GLN 39 11.545 6.745 24.521
312 HE22 GLN 39 HE22 GLN 39 11.791 8.103 23.482
313 H LEU 40 H LEU 40 12.182 2.464 19.489
314 HA LEU 40 HA LEU 40 14.028 4.113 18.175
315 HB2 LEU 40 HB2 LEU 40 13.899 1.477 18.763
316 HB3 LEU 40 HB3 LEU 40 13.577 1.436 17.030
317 HG LEU 40 HG LEU 40 16.034 2.540 18.388
318 HD11 LEU 40 HD11 LEU 40 15.918 0.311 16.392
319 HD12 LEU 40 HD12 LEU 40 15.661 0.009 18.110
320 HD13 LEU 40 HD13 LEU 40 17.185 0.702 17.555
321 HD21 LEU 40 HD21 LEU 40 15.754 3.954 16.563
322 HD22 LEU 40 HD22 LEU 40 15.079 2.677 15.551
323 HD23 LEU 40 HD23 LEU 40 16.802 2.682 15.935
324 H ILE 41 H ILE 41 11.315 2.226 16.845
325 HA ILE 41 HA ILE 41 11.610 3.077 14.186
326 HB ILE 41 HB ILE 41 9.175 2.099 15.672
327 HG12 ILE 41 HG12 ILE 41 10.750 0.667 13.543
328 HG13 ILE 41 HG13 ILE 41 11.229 0.604 15.236
329 HG21 ILE 41 HG21 ILE 41 9.526 2.748 12.756
330 HG22 ILE 41 HG22 ILE 41 8.247 1.698 13.364
331 HG23 ILE 41 HG23 ILE 41 8.320 3.385 13.873
332 HD11 ILE 41 HD11 ILE 41 8.831 -0.552 13.902
333 HD12 ILE 41 HD12 ILE 41 9.966 -1.297 15.028
334 HD13 ILE 41 HD13 ILE 41 8.768 -0.145 15.616
335 H PHE 42 H PHE 42 9.988 4.516 16.935
336 HA PHE 42 HA PHE 42 8.396 6.389 15.599
337 HB2 PHE 42 HB2 PHE 42 8.017 6.043 17.926
338 HB3 PHE 42 HB3 PHE 42 9.688 6.432 18.326
339 HD1 PHE 42 HD1 PHE 42 6.902 8.081 16.460
340 HD2 PHE 42 HD2 PHE 42 9.951 8.425 19.410
341 HE1 PHE 42 HE1 PHE 42 6.256 10.424 16.850
342 HE2 PHE 42 HE2 PHE 42 9.311 10.767 19.805
343 HZ PHE 42 HZ PHE 42 7.460 11.770 18.524
344 H LYS 43 H LYS 43 11.679 6.748 16.931
345 HA LYS 43 HA LYS 43 12.020 9.387 15.903
346 HB2 LYS 43 HB2 LYS 43 13.326 7.831 17.762
347 HB3 LYS 43 HB3 LYS 43 14.474 7.874 16.430
348 HG2 LYS 43 HG2 LYS 43 14.646 10.220 16.518
349 HG3 LYS 43 HG3 LYS 43 13.224 10.362 17.554
350 HD2 LYS 43 HD2 LYS 43 14.427 10.036 19.411
351 HD3 LYS 43 HD3 LYS 43 15.284 8.662 18.708
352 HE2 LYS 43 HE2 LYS 43 16.418 10.689 17.339
353 HE3 LYS 43 HE3 LYS 43 16.045 11.509 18.855
354 HZ1 LYS 43 HZ1 LYS 43 17.130 9.335 19.832
355 HZ2 LYS 43 HZ2 LYS 43 18.072 10.659 19.363
356 HZ3 LYS 43 HZ3 LYS 43 17.918 9.325 18.334
357 H SER 44 H SER 44 12.675 6.171 14.716
358 HA SER 44 HA SER 44 14.440 6.911 12.621
359 HB2 SER 44 HB2 SER 44 13.861 4.553 13.676
360 HB3 SER 44 HB3 SER 44 12.679 4.509 12.368
361 HG SER 44 HG SER 44 15.483 4.577 12.239
362 H ILE 45 H ILE 45 10.956 6.194 12.674
363 HA ILE 45 HA ILE 45 10.518 6.722 9.934
364 HB ILE 45 HB ILE 45 8.611 6.755 12.272
365 HG12 ILE 45 HG12 ILE 45 9.139 4.724 10.091
366 HG13 ILE 45 HG13 ILE 45 9.595 4.570 11.784
367 HG21 ILE 45 HG21 ILE 45 6.819 6.638 10.564
368 HG22 ILE 45 HG22 ILE 45 7.694 8.169 10.555
369 HG23 ILE 45 HG23 ILE 45 8.030 6.954 9.321
370 HD11 ILE 45 HD11 ILE 45 7.178 4.651 12.366
371 HD12 ILE 45 HD12 ILE 45 6.818 4.600 10.640
372 HD13 ILE 45 HD13 ILE 45 7.654 3.250 11.407
373 H ASP 46 H ASP 46 10.520 8.753 12.793
374 HA ASP 46 HA ASP 46 9.462 11.045 11.382
375 HB2 ASP 46 HB2 ASP 46 9.297 10.388 13.950
376 HB3 ASP 46 HB3 ASP 46 10.796 11.309 14.037
377 H ALA 47 H ALA 47 10.637 12.345 10.156
378 HA ALA 47 HA ALA 47 13.435 12.097 9.868
379 HB1 ALA 47 HB1 ALA 47 11.874 14.509 9.004
380 HB2 ALA 47 HB2 ALA 47 13.289 13.779 8.248
381 HB3 ALA 47 HB3 ALA 47 11.729 12.961 8.173
382 H ASP 48 H ASP 48 11.410 14.424 11.596
383 HA ASP 48 HA ASP 48 13.842 15.634 12.726
384 HB2 ASP 48 HB2 ASP 48 12.381 17.552 13.325
385 HB3 ASP 48 HB3 ASP 48 12.442 17.253 11.590
386 H GLY 49 H GLY 49 11.185 13.640 13.432
387 HA2 GLY 49 HA2 GLY 49 10.447 12.662 15.372
388 HA3 GLY 49 HA3 GLY 49 12.023 13.061 16.038
389 H ASN 50 H ASN 50 9.720 15.435 14.860
390 HA ASN 50 HA ASN 50 9.752 16.735 17.449
391 HB2 ASN 50 HB2 ASN 50 8.481 18.522 16.302
392 HB3 ASN 50 HB3 ASN 50 9.969 18.115 15.453
393 HD21 ASN 50 HD21 ASN 50 7.911 19.454 14.217
394 HD22 ASN 50 HD22 ASN 50 7.205 18.434 13.015
395 H GLY 51 H GLY 51 8.606 15.042 18.598
396 HA2 GLY 51 HA2 GLY 51 6.704 14.328 19.676
397 HA3 GLY 51 HA3 GLY 51 5.835 15.618 18.856
398 H GLU 52 H GLU 52 6.162 14.914 16.213
399 HA GLU 52 HA GLU 52 5.336 12.155 15.886
400 HB2 GLU 52 HB2 GLU 52 3.265 12.965 14.590
401 HB3 GLU 52 HB3 GLU 52 3.186 12.950 16.346
402 HG2 GLU 52 HG2 GLU 52 2.229 14.980 15.249
403 HG3 GLU 52 HG3 GLU 52 3.459 15.296 16.470
404 H ILE 53 H ILE 53 4.973 11.625 13.557
405 HA ILE 53 HA ILE 53 6.975 13.011 11.956
406 HB ILE 53 HB ILE 53 5.453 10.565 11.100
407 HG12 ILE 53 HG12 ILE 53 7.917 9.711 12.091
408 HG13 ILE 53 HG13 ILE 53 7.317 10.827 13.313
409 HG21 ILE 53 HG21 ILE 53 7.996 11.917 10.316
410 HG22 ILE 53 HG22 ILE 53 7.805 10.186 10.049
411 HG23 ILE 53 HG23 ILE 53 6.682 11.322 9.302
412 HD11 ILE 53 HD11 ILE 53 6.567 8.131 12.828
413 HD12 ILE 53 HD12 ILE 53 6.026 9.223 14.105
414 HD13 ILE 53 HD13 ILE 53 5.162 9.168 12.569
415 H ASP 54 H ASP 54 6.410 14.554 10.587
416 HA ASP 54 HA ASP 54 3.671 15.018 9.877
417 HB2 ASP 54 HB2 ASP 54 6.167 16.356 8.812
418 HB3 ASP 54 HB3 ASP 54 4.517 16.954 8.662
419 H GLN 55 H GLN 55 2.911 15.237 7.655
420 HA GLN 55 HA GLN 55 3.200 12.931 6.157
421 HB2 GLN 55 HB2 GLN 55 2.165 14.248 4.286
422 HB3 GLN 55 HB3 GLN 55 1.290 14.323 5.811
423 HG2 GLN 55 HG2 GLN 55 2.427 16.506 6.255
424 HG3 GLN 55 HG3 GLN 55 3.059 16.436 4.611
425 HE21 GLN 55 HE21 GLN 55 1.894 17.378 3.100
426 HE22 GLN 55 HE22 GLN 55 0.212 17.762 3.202
427 H ASN 56 H ASN 56 4.801 16.066 5.705
428 HA ASN 56 HA ASN 56 6.193 15.461 3.363
429 HB2 ASN 56 HB2 ASN 56 5.960 17.677 4.870
430 HB3 ASN 56 HB3 ASN 56 7.569 17.162 5.369
431 HD21 ASN 56 HD21 ASN 56 5.801 17.144 2.291
432 HD22 ASN 56 HD22 ASN 56 7.022 17.972 1.391
433 H GLU 57 H GLU 57 7.246 15.161 6.751
434 HA GLU 57 HA GLU 57 9.791 14.113 6.212
435 HB2 GLU 57 HB2 GLU 57 8.054 13.597 8.631
436 HB3 GLU 57 HB3 GLU 57 9.795 13.373 8.540
437 HG2 GLU 57 HG2 GLU 57 10.235 15.599 8.666
438 HG3 GLU 57 HG3 GLU 57 8.715 16.057 7.900
439 H PHE 58 H PHE 58 6.680 12.517 6.753
440 HA PHE 58 HA PHE 58 7.648 9.871 6.733
441 HB2 PHE 58 HB2 PHE 58 5.343 10.738 7.473
442 HB3 PHE 58 HB3 PHE 58 4.908 10.666 5.768
443 HD1 PHE 58 HD2 PHE 58 4.795 8.512 4.606
444 HD2 PHE 58 HD1 PHE 58 5.578 8.759 8.784
445 HE1 PHE 58 HE2 PHE 58 4.254 6.124 4.845
446 HE2 PHE 58 HE1 PHE 58 5.039 6.371 9.029
447 HZ PHE 58 HZ PHE 58 4.374 5.050 7.060
448 H ALA 59 H ALA 59 6.400 11.953 4.154
449 HA ALA 59 HA ALA 59 6.417 10.068 2.085
450 HB1 ALA 59 HB1 ALA 59 6.299 12.993 2.294
451 HB2 ALA 59 HB2 ALA 59 6.949 12.380 0.772
452 HB3 ALA 59 HB3 ALA 59 5.345 11.883 1.310
453 H LYS 60 H LYS 60 8.905 12.453 2.990
454 HA LYS 60 HA LYS 60 10.797 11.601 1.069
455 HB2 LYS 60 HB2 LYS 60 10.845 13.329 3.494
456 HB3 LYS 60 HB3 LYS 60 12.386 12.740 2.884
457 HG2 LYS 60 HG2 LYS 60 12.044 13.796 0.779
458 HG3 LYS 60 HG3 LYS 60 10.374 14.196 1.187
459 HD2 LYS 60 HD2 LYS 60 11.008 15.859 2.681
460 HD3 LYS 60 HD3 LYS 60 12.633 15.200 2.879
461 HE2 LYS 60 HE2 LYS 60 13.169 15.864 0.579
462 HE3 LYS 60 HE3 LYS 60 11.549 16.536 0.401
463 HZ1 LYS 60 HZ1 LYS 60 13.530 17.450 2.414
464 HZ2 LYS 60 HZ2 LYS 60 12.023 18.147 2.090
465 HZ3 LYS 60 HZ3 LYS 60 13.253 18.215 0.930
466 H PHE 61 H PHE 61 9.912 10.412 4.192
467 HA PHE 61 HA PHE 61 12.337 8.912 4.605
468 HB2 PHE 61 HB2 PHE 61 11.355 9.469 6.632
469 HB3 PHE 61 HB3 PHE 61 9.723 9.175 6.040
470 HD1 PHE 61 HD1 PHE 61 12.851 7.156 6.349
471 HD2 PHE 61 HD2 PHE 61 8.674 7.451 7.113
472 HE1 PHE 61 HE1 PHE 61 12.885 4.923 7.382
473 HE2 PHE 61 HE2 PHE 61 8.701 5.220 8.148
474 HZ PHE 61 HZ PHE 61 10.809 3.953 8.285
475 H TYR 62 H TYR 62 9.132 8.320 3.318
476 HA TYR 62 HA TYR 62 9.228 5.506 3.272
477 HB2 TYR 62 HB2 TYR 62 7.120 6.616 2.974
478 HB3 TYR 62 HB3 TYR 62 7.712 7.482 1.560
479 HD1 TYR 62 HD2 TYR 62 7.909 6.365 -0.591
480 HD2 TYR 62 HD1 TYR 62 6.467 4.282 2.826
481 HE1 TYR 62 HE2 TYR 62 7.065 4.572 -2.048
482 HE2 TYR 62 HE1 TYR 62 5.620 2.483 1.379
483 HH TYR 62 HH TYR 62 4.863 2.473 -1.292
484 H GLY 63 H GLY 63 10.548 4.225 2.176
485 HA2 GLY 63 HA2 GLY 63 11.608 3.329 0.307
486 HA3 GLY 63 HA3 GLY 63 11.155 4.762 -0.604
487 H SER 64 H SER 64 12.514 5.772 2.239
488 HA SER 64 HA SER 64 15.030 6.373 0.885
489 HB2 SER 64 HB2 SER 64 13.810 8.231 1.941
490 HB3 SER 64 HB3 SER 64 13.919 7.418 3.502
491 HG SER 64 HG SER 64 15.707 9.012 2.327
492 H ILE 65 H ILE 65 14.356 3.701 2.018
493 HA ILE 65 HA ILE 65 16.243 3.452 4.228
494 HB ILE 65 HB ILE 65 14.765 1.162 2.966
495 HG12 ILE 65 HG12 ILE 65 13.193 1.780 5.078
496 HG13 ILE 65 HG13 ILE 65 13.685 3.397 4.585
497 HG21 ILE 65 HG21 ILE 65 14.820 0.724 5.634
498 HG22 ILE 65 HG22 ILE 65 16.058 0.164 4.512
499 HG23 ILE 65 HG23 ILE 65 16.303 1.655 5.422
500 HD11 ILE 65 HD11 ILE 65 11.877 1.495 3.288
501 HD12 ILE 65 HD12 ILE 65 11.909 3.258 3.235
502 HD13 ILE 65 HD13 ILE 65 12.992 2.324 2.202
503 H GLN 66 H GLN 66 16.859 3.933 1.241
504 HA GLN 66 HA GLN 66 18.179 1.662 0.234
505 HB2 GLN 66 HB2 GLN 66 18.069 4.532 -0.399
506 HB3 GLN 66 HB3 GLN 66 19.569 3.741 -0.864
507 HG2 GLN 66 HG2 GLN 66 17.441 2.061 -1.660
508 HG3 GLN 66 HG3 GLN 66 17.049 3.702 -2.170
509 HE21 GLN 66 HE21 GLN 66 19.507 4.730 -2.728
510 HE22 GLN 66 HE22 GLN 66 20.215 3.881 -4.054