Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
591527 | 2n3s RC | 25656 | 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 1.808 0.000 0.855
2 HA MET 1 HA MET 1 1.581 -0.641 -1.945
3 HB2 MET 1 HB2 MET 1 2.160 2.123 -1.007
4 HB3 MET 1 HB3 MET 1 3.092 1.517 -2.370
5 HG2 MET 1 HG2 MET 1 1.285 2.621 -3.336
6 HG3 MET 1 HG3 MET 1 0.859 0.913 -3.422
7 HE1 MET 1 HE1 MET 1 -0.076 4.273 -2.714
8 HE2 MET 1 HE2 MET 1 -1.448 3.524 -3.531
9 HE3 MET 1 HE3 MET 1 -1.643 4.186 -1.907
10 H ALA 2 H ALA 2 3.369 -1.659 -2.670
11 HA ALA 2 HA ALA 2 5.520 -2.097 -0.767
12 HB1 ALA 2 HB1 ALA 2 5.279 -4.136 -1.637
13 HB2 ALA 2 HB2 ALA 2 4.400 -3.525 -3.040
14 HB3 ALA 2 HB3 ALA 2 6.164 -3.521 -3.034
15 H LYS 3 H LYS 3 7.758 -1.890 -1.331
16 HA LYS 3 HA LYS 3 8.706 -0.674 -3.673
17 HB2 LYS 3 HB2 LYS 3 9.266 1.577 -2.756
18 HB3 LYS 3 HB3 LYS 3 7.543 1.315 -2.986
19 HG2 LYS 3 HG2 LYS 3 7.546 0.640 -0.495
20 HG3 LYS 3 HG3 LYS 3 9.104 1.469 -0.442
21 HD2 LYS 3 HD2 LYS 3 7.474 3.071 0.183
22 HD3 LYS 3 HD3 LYS 3 7.941 3.460 -1.475
23 HE2 LYS 3 HE2 LYS 3 5.924 2.818 -2.338
24 HE3 LYS 3 HE3 LYS 3 5.636 1.629 -1.069
25 HZ1 LYS 3 HZ1 LYS 3 4.493 4.090 -1.235
26 HZ2 LYS 3 HZ2 LYS 3 5.704 4.316 -0.076
27 HZ3 LYS 3 HZ3 LYS 3 4.535 3.113 0.147
28 H ASP 4 H ASP 4 10.939 0.565 -3.014
29 HA ASP 4 HA ASP 4 12.628 -1.457 -2.055
30 HB2 ASP 4 HB2 ASP 4 13.195 1.511 -2.230
31 HB3 ASP 4 HB3 ASP 4 14.400 0.231 -2.115
32 H ASP 5 H ASP 5 14.398 -0.463 -0.293
33 HA ASP 5 HA ASP 5 12.829 -0.388 2.173
34 HB2 ASP 5 HB2 ASP 5 14.672 -2.082 1.826
35 HB3 ASP 5 HB3 ASP 5 15.816 -0.744 1.899
36 H VAL 6 H VAL 6 13.252 1.953 0.379
37 HA VAL 6 HA VAL 6 14.942 3.714 1.965
38 HB VAL 6 HB VAL 6 14.374 5.430 0.274
39 HG11 VAL 6 HG11 VAL 6 15.164 3.114 -1.382
40 HG12 VAL 6 HG12 VAL 6 15.950 4.679 -1.167
41 HG13 VAL 6 HG13 VAL 6 16.136 3.422 0.057
42 HG21 VAL 6 HG21 VAL 6 12.553 5.218 -0.978
43 HG22 VAL 6 HG22 VAL 6 13.263 3.807 -1.762
44 HG23 VAL 6 HG23 VAL 6 12.267 3.606 -0.321
45 H ILE 7 H ILE 7 14.229 5.155 3.415
46 HA ILE 7 HA ILE 7 11.368 5.805 3.487
47 HB ILE 7 HB ILE 7 11.360 5.609 5.949
48 HG12 ILE 7 HG12 ILE 7 13.456 3.856 6.479
49 HG13 ILE 7 HG13 ILE 7 14.190 5.106 5.481
50 HG21 ILE 7 HG21 ILE 7 10.665 3.760 4.338
51 HG22 ILE 7 HG22 ILE 7 12.186 2.977 4.765
52 HG23 ILE 7 HG23 ILE 7 10.978 3.294 6.010
53 HD11 ILE 7 HD11 ILE 7 14.490 6.058 7.506
54 HD12 ILE 7 HD12 ILE 7 12.868 6.668 7.177
55 HD13 ILE 7 HD13 ILE 7 13.086 5.260 8.215
56 H GLN 8 H GLN 8 11.012 7.918 3.679
57 HA GLN 8 HA GLN 8 13.250 9.701 4.111
58 HB2 GLN 8 HB2 GLN 8 11.666 11.482 3.531
59 HB3 GLN 8 HB3 GLN 8 11.653 10.196 2.332
60 HG2 GLN 8 HG2 GLN 8 9.632 9.270 3.482
61 HG3 GLN 8 HG3 GLN 8 9.606 10.734 4.464
62 HE21 GLN 8 HE21 GLN 8 7.845 9.517 2.287
63 HE22 GLN 8 HE22 GLN 8 7.549 10.840 1.217
64 H MET 9 H MET 9 13.799 10.503 6.019
65 HA MET 9 HA MET 9 11.789 10.510 8.170
66 HB2 MET 9 HB2 MET 9 14.706 9.953 8.112
67 HB3 MET 9 HB3 MET 9 14.083 10.789 9.529
68 HG2 MET 9 HG2 MET 9 12.745 8.305 8.563
69 HG3 MET 9 HG3 MET 9 14.233 8.199 9.499
70 HE1 MET 9 HE1 MET 9 12.823 6.680 11.125
71 HE2 MET 9 HE2 MET 9 11.476 7.247 12.112
72 HE3 MET 9 HE3 MET 9 11.250 6.977 10.384
73 H GLN 10 H GLN 10 11.759 12.291 9.639
74 HA GLN 10 HA GLN 10 12.657 14.792 8.385
75 HB2 GLN 10 HB2 GLN 10 10.558 14.455 10.530
76 HB3 GLN 10 HB3 GLN 10 10.898 15.906 9.596
77 HG2 GLN 10 HG2 GLN 10 9.993 13.358 8.301
78 HG3 GLN 10 HG3 GLN 10 8.857 14.541 8.946
79 HE21 GLN 10 HE21 GLN 10 10.933 13.712 6.372
80 HE22 GLN 10 HE22 GLN 10 10.656 15.107 5.391
81 H GLY 11 H GLY 11 14.523 15.497 9.195
82 HA2 GLY 11 HA2 GLY 11 14.813 15.548 12.128
83 HA3 GLY 11 HA3 GLY 11 16.126 14.953 11.123
84 H GLU 12 H GLU 12 16.909 16.878 12.664
85 HA GLU 12 HA GLU 12 16.877 19.300 10.986
86 HB2 GLU 12 HB2 GLU 12 15.678 19.686 13.084
87 HB3 GLU 12 HB3 GLU 12 17.076 19.136 13.998
88 HG2 GLU 12 HG2 GLU 12 18.352 21.021 13.361
89 HG3 GLU 12 HG3 GLU 12 17.170 21.495 12.142
90 H VAL 13 H VAL 13 18.806 20.249 10.517
91 HA VAL 13 HA VAL 13 21.142 18.727 10.553
92 HB VAL 13 HB VAL 13 20.863 21.723 10.275
93 HG11 VAL 13 HG11 VAL 13 23.055 21.536 9.083
94 HG12 VAL 13 HG12 VAL 13 23.137 21.233 10.819
95 HG13 VAL 13 HG13 VAL 13 23.174 19.883 9.684
96 HG21 VAL 13 HG21 VAL 13 20.947 21.299 7.879
97 HG22 VAL 13 HG22 VAL 13 21.058 19.564 8.176
98 HG23 VAL 13 HG23 VAL 13 19.592 20.441 8.614
99 H ILE 14 H ILE 14 22.897 18.620 11.872
100 HA ILE 14 HA ILE 14 22.755 20.143 14.392
101 HB ILE 14 HB ILE 14 22.344 17.700 14.661
102 HG12 ILE 14 HG12 ILE 14 24.950 18.575 15.917
103 HG13 ILE 14 HG13 ILE 14 23.376 19.170 16.433
104 HG21 ILE 14 HG21 ILE 14 24.252 16.162 14.416
105 HG22 ILE 14 HG22 ILE 14 23.753 16.865 12.879
106 HG23 ILE 14 HG23 ILE 14 25.192 17.470 13.699
107 HD11 ILE 14 HD11 ILE 14 24.315 16.313 16.512
108 HD12 ILE 14 HD12 ILE 14 24.130 17.401 17.888
109 HD13 ILE 14 HD13 ILE 14 22.711 16.875 16.983
110 H GLU 15 H GLU 15 24.756 18.998 11.775
111 HA GLU 15 HA GLU 15 26.812 20.913 12.534
112 HB2 GLU 15 HB2 GLU 15 27.265 18.490 13.447
113 HB3 GLU 15 HB3 GLU 15 27.738 18.168 11.785
114 HG2 GLU 15 HG2 GLU 15 29.485 19.751 11.871
115 HG3 GLU 15 HG3 GLU 15 28.892 20.429 13.387
116 H ASN 16 H ASN 16 28.329 21.359 10.800
117 HA ASN 16 HA ASN 16 27.334 20.557 8.148
118 HB2 ASN 16 HB2 ASN 16 28.488 23.287 8.626
119 HB3 ASN 16 HB3 ASN 16 27.428 22.743 7.329
120 HD21 ASN 16 HD21 ASN 16 25.221 22.569 7.704
121 HD22 ASN 16 HD22 ASN 16 24.459 23.320 9.061
122 H LEU 17 H LEU 17 28.836 19.705 6.868
123 HA LEU 17 HA LEU 17 31.659 20.371 7.360
124 HB2 LEU 17 HB2 LEU 17 30.335 17.723 7.251
125 HB3 LEU 17 HB3 LEU 17 31.913 17.865 6.479
126 HG LEU 17 HG LEU 17 32.874 18.611 8.616
127 HD11 LEU 17 HD11 LEU 17 30.039 18.623 9.388
128 HD12 LEU 17 HD12 LEU 17 31.392 19.571 10.004
129 HD13 LEU 17 HD13 LEU 17 31.141 17.922 10.574
130 HD21 LEU 17 HD21 LEU 17 31.958 16.023 7.938
131 HD22 LEU 17 HD22 LEU 17 31.735 16.224 9.677
132 HD23 LEU 17 HD23 LEU 17 33.328 16.468 8.957
133 HA PRO 18 HA PRO 18 32.089 21.023 3.043
134 HB2 PRO 18 HB2 PRO 18 34.557 20.012 2.538
135 HB3 PRO 18 HB3 PRO 18 34.299 21.516 3.431
136 HG2 PRO 18 HG2 PRO 18 34.865 18.767 4.473
137 HG3 PRO 18 HG3 PRO 18 35.537 20.322 4.996
138 HD2 PRO 18 HD2 PRO 18 33.546 19.071 6.339
139 HD3 PRO 18 HD3 PRO 18 33.684 20.839 6.267
140 H ASN 19 H ASN 19 33.176 19.716 1.024
141 HA ASN 19 HA ASN 19 32.902 18.024 -0.471
142 HB2 ASN 19 HB2 ASN 19 33.996 16.785 1.552
143 HB3 ASN 19 HB3 ASN 19 32.392 16.092 1.768
144 HD21 ASN 19 HD21 ASN 19 33.552 14.081 1.359
145 HD22 ASN 19 HD22 ASN 19 33.792 13.577 -0.276
146 H ALA 20 H ALA 20 30.629 19.569 0.399
147 HA ALA 20 HA ALA 20 28.354 19.625 0.260
148 HB1 ALA 20 HB1 ALA 20 28.337 17.174 -1.422
149 HB2 ALA 20 HB2 ALA 20 27.498 18.710 -1.649
150 HB3 ALA 20 HB3 ALA 20 29.220 18.585 -2.007
151 H THR 21 H THR 21 29.538 18.024 2.409
152 HA THR 21 HA THR 21 27.483 15.955 2.781
153 HB THR 21 HB THR 21 29.872 16.303 4.572
154 HG1 THR 21 HG1 THR 21 30.979 14.855 3.182
155 HG21 THR 21 HG21 THR 21 28.063 14.790 5.278
156 HG22 THR 21 HG22 THR 21 29.558 13.915 4.948
157 HG23 THR 21 HG23 THR 21 28.243 13.887 3.774
158 H PHE 22 H PHE 22 26.356 15.809 4.777
159 HA PHE 22 HA PHE 22 26.556 17.976 6.680
160 HB2 PHE 22 HB2 PHE 22 24.191 17.671 4.840
161 HB3 PHE 22 HB3 PHE 22 24.039 18.441 6.416
162 HD1 PHE 22 HD2 PHE 22 25.245 20.540 6.887
163 HD2 PHE 22 HD1 PHE 22 25.218 18.780 3.011
164 HE1 PHE 22 HE2 PHE 22 26.001 22.671 5.918
165 HE2 PHE 22 HE1 PHE 22 25.975 20.909 2.036
166 HZ PHE 22 HZ PHE 22 26.366 22.858 3.489
167 H ARG 23 H ARG 23 25.361 17.597 8.613
168 HA ARG 23 HA ARG 23 24.459 14.806 8.901
169 HB2 ARG 23 HB2 ARG 23 26.598 15.927 10.158
170 HB3 ARG 23 HB3 ARG 23 25.324 16.229 11.332
171 HG2 ARG 23 HG2 ARG 23 24.775 13.814 11.287
172 HG3 ARG 23 HG3 ARG 23 26.157 13.560 10.220
173 HD2 ARG 23 HD2 ARG 23 27.463 14.814 12.107
174 HD3 ARG 23 HD3 ARG 23 26.096 14.323 13.106
175 HE ARG 23 HE ARG 23 26.882 12.175 13.059
176 HH11 ARG 23 HH11 ARG 23 28.434 14.010 10.540
177 HH12 ARG 23 HH12 ARG 23 29.552 12.751 10.133
178 HH21 ARG 23 HH21 ARG 23 28.349 10.510 12.533
179 HH22 ARG 23 HH22 ARG 23 29.502 10.760 11.266
180 H VAL 24 H VAL 24 22.497 14.438 9.769
181 HA VAL 24 HA VAL 24 21.080 16.674 11.043
182 HB VAL 24 HB VAL 24 20.231 16.678 8.806
183 HG11 VAL 24 HG11 VAL 24 20.228 14.862 7.532
184 HG12 VAL 24 HG12 VAL 24 20.734 13.897 8.920
185 HG13 VAL 24 HG13 VAL 24 19.018 14.112 8.572
186 HG21 VAL 24 HG21 VAL 24 18.057 16.792 9.381
187 HG22 VAL 24 HG22 VAL 24 18.025 15.139 9.995
188 HG23 VAL 24 HG23 VAL 24 18.660 16.441 11.001
189 H LYS 25 H LYS 25 19.782 16.130 12.733
190 HA LYS 25 HA LYS 25 19.907 13.340 13.612
191 HB2 LYS 25 HB2 LYS 25 19.343 14.176 15.819
192 HB3 LYS 25 HB3 LYS 25 20.694 15.093 15.166
193 HG2 LYS 25 HG2 LYS 25 18.741 16.692 14.367
194 HG3 LYS 25 HG3 LYS 25 17.915 15.948 15.737
195 HD2 LYS 25 HD2 LYS 25 20.692 16.959 16.117
196 HD3 LYS 25 HD3 LYS 25 19.369 18.125 16.038
197 HE2 LYS 25 HE2 LYS 25 19.228 15.734 17.841
198 HE3 LYS 25 HE3 LYS 25 20.067 17.202 18.341
199 HZ1 LYS 25 HZ1 LYS 25 17.742 18.188 17.459
200 HZ2 LYS 25 HZ2 LYS 25 18.047 17.788 19.074
201 HZ3 LYS 25 HZ3 LYS 25 17.231 16.696 18.071
202 H LEU 26 H LEU 26 18.166 12.059 13.693
203 HA LEU 26 HA LEU 26 15.691 12.971 12.570
204 HB2 LEU 26 HB2 LEU 26 16.065 10.337 13.944
205 HB3 LEU 26 HB3 LEU 26 15.011 10.739 12.590
206 HG LEU 26 HG LEU 26 17.566 11.192 11.610
207 HD11 LEU 26 HD11 LEU 26 17.858 8.453 12.555
208 HD12 LEU 26 HD12 LEU 26 17.952 9.649 13.848
209 HD13 LEU 26 HD13 LEU 26 19.043 9.757 12.466
210 HD21 LEU 26 HD21 LEU 26 16.912 9.728 10.013
211 HD22 LEU 26 HD22 LEU 26 15.349 9.924 10.807
212 HD23 LEU 26 HD23 LEU 26 16.360 8.527 11.180
213 H GLU 27 H GLU 27 14.074 11.149 14.270
214 HA GLU 27 HA GLU 27 13.429 13.101 16.325
215 HB2 GLU 27 HB2 GLU 27 12.033 10.796 15.062
216 HB3 GLU 27 HB3 GLU 27 11.561 11.234 16.698
217 HG2 GLU 27 HG2 GLU 27 11.441 13.648 15.647
218 HG3 GLU 27 HG3 GLU 27 11.224 12.731 14.158
219 H ASN 28 H ASN 28 14.917 9.996 16.024
220 HA ASN 28 HA ASN 28 14.613 9.256 18.785
221 HB2 ASN 28 HB2 ASN 28 16.583 8.118 16.797
222 HB3 ASN 28 HB3 ASN 28 15.961 7.348 18.253
223 HD21 ASN 28 HD21 ASN 28 13.382 7.487 18.204
224 HD22 ASN 28 HD22 ASN 28 12.698 6.819 16.765
225 H GLY 29 H GLY 29 16.694 11.306 17.038
226 HA2 GLY 29 HA2 GLY 29 18.115 12.819 18.265
227 HA3 GLY 29 HA3 GLY 29 18.438 11.521 19.404
228 H HIS 30 H HIS 30 18.665 9.716 16.915
229 HA HIS 30 HA HIS 30 21.494 9.801 16.748
230 HB2 HIS 30 HB2 HIS 30 19.648 8.366 14.839
231 HB3 HIS 30 HB3 HIS 30 21.310 7.951 15.246
232 HD1 HIS 30 HD1 HIS 30 18.351 6.420 15.684
233 HD2 HIS 30 HD2 HIS 30 21.092 7.811 18.479
234 HE1 HIS 30 HE1 HIS 30 17.899 5.106 17.780
235 H VAL 31 H VAL 31 22.844 10.630 15.233
236 HA VAL 31 HA VAL 31 21.638 12.427 13.254
237 HB VAL 31 HB VAL 31 23.961 13.370 13.069
238 HG11 VAL 31 HG11 VAL 31 23.836 14.250 15.573
239 HG12 VAL 31 HG12 VAL 31 22.675 14.750 14.342
240 HG13 VAL 31 HG13 VAL 31 22.252 13.480 15.491
241 HG21 VAL 31 HG21 VAL 31 24.468 11.657 15.499
242 HG22 VAL 31 HG22 VAL 31 25.158 11.388 13.898
243 HG23 VAL 31 HG23 VAL 31 25.575 12.842 14.806
244 H VAL 32 H VAL 32 21.828 12.095 11.122
245 HA VAL 32 HA VAL 32 23.465 9.811 10.239
246 HB VAL 32 HB VAL 32 21.975 9.592 8.335
247 HG11 VAL 32 HG11 VAL 32 21.349 8.361 10.298
248 HG12 VAL 32 HG12 VAL 32 20.534 9.771 10.977
249 HG13 VAL 32 HG13 VAL 32 19.886 8.985 9.537
250 HG21 VAL 32 HG21 VAL 32 21.437 11.973 8.061
251 HG22 VAL 32 HG22 VAL 32 19.987 10.968 8.081
252 HG23 VAL 32 HG23 VAL 32 20.432 11.903 9.509
253 H LEU 33 H LEU 33 24.884 10.032 8.562
254 HA LEU 33 HA LEU 33 25.405 12.785 7.680
255 HB2 LEU 33 HB2 LEU 33 27.639 11.803 6.989
256 HB3 LEU 33 HB3 LEU 33 27.319 11.932 8.718
257 HG LEU 33 HG LEU 33 26.694 9.342 7.413
258 HD11 LEU 33 HD11 LEU 33 28.884 10.051 6.449
259 HD12 LEU 33 HD12 LEU 33 28.957 8.586 7.427
260 HD13 LEU 33 HD13 LEU 33 29.524 10.118 8.091
261 HD21 LEU 33 HD21 LEU 33 26.537 8.763 9.547
262 HD22 LEU 33 HD22 LEU 33 27.004 10.392 10.034
263 HD23 LEU 33 HD23 LEU 33 28.240 9.158 9.783
264 H GLY 34 H GLY 34 25.276 13.353 5.584
265 HA2 GLY 34 HA2 GLY 34 25.355 11.358 3.484
266 HA3 GLY 34 HA3 GLY 34 23.786 12.116 3.713
267 H HIS 35 H HIS 35 24.443 12.606 1.355
268 HA HIS 35 HA HIS 35 25.841 15.201 1.319
269 HB2 HIS 35 HB2 HIS 35 26.585 14.724 -0.941
270 HB3 HIS 35 HB3 HIS 35 27.090 13.419 0.129
271 HD1 HIS 35 HD1 HIS 35 25.828 11.133 -0.125
272 HD2 HIS 35 HD2 HIS 35 24.870 13.991 -2.984
273 HE1 HIS 35 HE1 HIS 35 24.637 9.882 -1.953
274 H ILE 36 H ILE 36 24.963 16.852 0.069
275 HA ILE 36 HA ILE 36 22.158 16.426 -0.711
276 HB ILE 36 HB ILE 36 22.465 18.091 1.056
277 HG12 ILE 36 HG12 ILE 36 21.202 19.903 0.032
278 HG13 ILE 36 HG13 ILE 36 21.722 19.395 -1.572
279 HG21 ILE 36 HG21 ILE 36 24.742 18.795 -0.381
280 HG22 ILE 36 HG22 ILE 36 23.662 20.179 -0.535
281 HG23 ILE 36 HG23 ILE 36 24.111 19.586 1.063
282 HD11 ILE 36 HD11 ILE 36 20.432 17.246 -0.134
283 HD12 ILE 36 HD12 ILE 36 19.396 18.667 -0.278
284 HD13 ILE 36 HD13 ILE 36 20.076 17.921 -1.724
285 H SER 37 H SER 37 21.564 16.664 -2.771
286 HA SER 37 HA SER 37 23.101 18.314 -4.593
287 HB2 SER 37 HB2 SER 37 24.030 15.854 -4.493
288 HB3 SER 37 HB3 SER 37 22.624 15.498 -5.497
289 HG SER 37 HG SER 37 24.944 16.822 -6.124
290 H GLY 38 H GLY 38 22.045 18.494 -6.733
291 HA2 GLY 38 HA2 GLY 38 19.848 17.648 -7.831
292 HA3 GLY 38 HA3 GLY 38 19.130 18.356 -6.392
293 H LYS 39 H LYS 39 17.942 19.657 -7.978
294 HA LYS 39 HA LYS 39 19.391 21.625 -9.500
295 HB2 LYS 39 HB2 LYS 39 16.524 20.926 -9.075
296 HB3 LYS 39 HB3 LYS 39 16.901 22.546 -9.649
297 HG2 LYS 39 HG2 LYS 39 18.373 21.213 -11.384
298 HG3 LYS 39 HG3 LYS 39 17.228 19.925 -11.004
299 HD2 LYS 39 HD2 LYS 39 15.369 21.357 -11.615
300 HD3 LYS 39 HD3 LYS 39 16.472 22.704 -11.905
301 HE2 LYS 39 HE2 LYS 39 17.603 21.143 -13.603
302 HE3 LYS 39 HE3 LYS 39 16.138 20.171 -13.478
303 HZ1 LYS 39 HZ1 LYS 39 16.231 23.037 -14.250
304 HZ2 LYS 39 HZ2 LYS 39 14.842 22.076 -14.169
305 HZ3 LYS 39 HZ3 LYS 39 16.036 21.743 -15.321
306 H MET 40 H MET 40 16.887 21.994 -6.982
307 HA MET 40 HA MET 40 17.399 24.670 -6.423
308 HB2 MET 40 HB2 MET 40 16.398 22.598 -4.464
309 HB3 MET 40 HB3 MET 40 16.152 24.337 -4.370
310 HG2 MET 40 HG2 MET 40 15.060 22.518 -6.504
311 HG3 MET 40 HG3 MET 40 14.156 23.182 -5.145
312 HE1 MET 40 HE1 MET 40 12.490 24.291 -5.822
313 HE2 MET 40 HE2 MET 40 12.474 25.893 -6.560
314 HE3 MET 40 HE3 MET 40 12.367 24.453 -7.574
315 H ARG 41 H ARG 41 19.190 21.870 -5.584
316 HA ARG 41 HA ARG 41 20.522 23.005 -3.304
317 HB2 ARG 41 HB2 ARG 41 21.485 20.658 -4.929
318 HB3 ARG 41 HB3 ARG 41 21.789 21.003 -3.232
319 HG2 ARG 41 HG2 ARG 41 19.111 20.280 -4.403
320 HG3 ARG 41 HG3 ARG 41 20.189 19.174 -3.549
321 HD2 ARG 41 HD2 ARG 41 18.706 19.822 -1.890
322 HD3 ARG 41 HD3 ARG 41 20.070 20.911 -1.638
323 HE ARG 41 HE ARG 41 18.146 22.065 -3.379
324 HH11 ARG 41 HH11 ARG 41 18.776 21.355 -0.029
325 HH12 ARG 41 HH12 ARG 41 17.792 22.651 0.566
326 HH21 ARG 41 HH21 ARG 41 16.848 23.774 -2.608
327 HH22 ARG 41 HH22 ARG 41 16.695 24.026 -0.902
328 H MET 42 H MET 42 20.980 23.001 -6.732
329 HA MET 42 HA MET 42 23.746 23.874 -6.545
330 HB2 MET 42 HB2 MET 42 21.910 23.069 -8.745
331 HB3 MET 42 HB3 MET 42 23.232 24.157 -9.145
332 HG2 MET 42 HG2 MET 42 23.789 21.666 -7.606
333 HG3 MET 42 HG3 MET 42 23.534 21.583 -9.348
334 HE1 MET 42 HE1 MET 42 25.377 24.156 -10.693
335 HE2 MET 42 HE2 MET 42 26.458 22.798 -11.004
336 HE3 MET 42 HE3 MET 42 24.711 22.557 -11.024
337 H HIS 43 H HIS 43 21.061 25.384 -5.821
338 HA HIS 43 HA HIS 43 21.550 27.833 -7.346
339 HB2 HIS 43 HB2 HIS 43 19.210 26.796 -6.921
340 HB3 HIS 43 HB3 HIS 43 19.367 27.488 -5.309
341 HD1 HIS 43 HD1 HIS 43 18.590 29.829 -5.070
342 HD2 HIS 43 HD2 HIS 43 19.459 28.875 -9.019
343 HE1 HIS 43 HE1 HIS 43 17.912 31.844 -6.413
344 H TYR 44 H TYR 44 23.330 26.795 -5.196
345 HA TYR 44 HA TYR 44 24.488 27.535 -3.379
346 HB2 TYR 44 HB2 TYR 44 23.597 30.283 -4.259
347 HB3 TYR 44 HB3 TYR 44 25.056 29.863 -3.369
348 HD1 TYR 44 HD2 TYR 44 26.863 28.559 -4.544
349 HD2 TYR 44 HD1 TYR 44 23.557 30.253 -6.621
350 HE1 TYR 44 HE2 TYR 44 28.103 28.372 -6.660
351 HE2 TYR 44 HE1 TYR 44 24.788 30.069 -8.742
352 HH TYR 44 HH TYR 44 26.625 28.774 -9.698
353 H ILE 45 H ILE 45 22.266 26.552 -2.452
354 HA ILE 45 HA ILE 45 20.551 28.361 -1.087
355 HB ILE 45 HB ILE 45 19.822 26.337 0.194
356 HG12 ILE 45 HG12 ILE 45 21.461 24.663 -1.662
357 HG13 ILE 45 HG13 ILE 45 22.225 25.305 -0.212
358 HG21 ILE 45 HG21 ILE 45 19.815 26.522 -2.775
359 HG22 ILE 45 HG22 ILE 45 19.134 25.085 -2.015
360 HG23 ILE 45 HG23 ILE 45 18.483 26.678 -1.630
361 HD11 ILE 45 HD11 ILE 45 20.785 22.968 -0.412
362 HD12 ILE 45 HD12 ILE 45 21.237 23.796 1.078
363 HD13 ILE 45 HD13 ILE 45 19.658 24.089 0.351
364 H ARG 46 H ARG 46 20.313 28.487 1.268
365 HA ARG 46 HA ARG 46 22.943 28.667 2.551
366 HB2 ARG 46 HB2 ARG 46 20.312 30.036 3.017
367 HB3 ARG 46 HB3 ARG 46 21.538 30.006 4.277
368 HG2 ARG 46 HG2 ARG 46 23.073 31.215 2.937
369 HG3 ARG 46 HG3 ARG 46 22.068 31.021 1.499
370 HD2 ARG 46 HD2 ARG 46 21.886 33.275 2.458
371 HD3 ARG 46 HD3 ARG 46 20.346 32.416 2.481
372 HE ARG 46 HE ARG 46 20.380 32.479 4.770
373 HH11 ARG 46 HH11 ARG 46 23.547 33.260 3.552
374 HH12 ARG 46 HH12 ARG 46 24.171 33.726 5.100
375 HH21 ARG 46 HH21 ARG 46 21.190 33.089 6.814
376 HH22 ARG 46 HH22 ARG 46 22.830 33.627 6.955
377 H ILE 47 H ILE 47 23.511 27.089 3.881
378 HA ILE 47 HA ILE 47 21.393 25.607 5.298
379 HB ILE 47 HB ILE 47 24.159 24.650 4.550
380 HG12 ILE 47 HG12 ILE 47 21.506 23.660 3.504
381 HG13 ILE 47 HG13 ILE 47 22.441 24.908 2.688
382 HG21 ILE 47 HG21 ILE 47 21.938 23.443 6.147
383 HG22 ILE 47 HG22 ILE 47 23.049 22.413 5.246
384 HG23 ILE 47 HG23 ILE 47 23.666 23.495 6.495
385 HD11 ILE 47 HD11 ILE 47 24.324 23.311 2.517
386 HD12 ILE 47 HD12 ILE 47 23.277 22.067 3.203
387 HD13 ILE 47 HD13 ILE 47 22.875 22.801 1.650
388 H LEU 48 H LEU 48 21.505 25.368 7.477
389 HA LEU 48 HA LEU 48 23.909 26.102 8.924
390 HB2 LEU 48 HB2 LEU 48 21.397 27.714 8.946
391 HB3 LEU 48 HB3 LEU 48 22.363 27.595 10.415
392 HG LEU 48 HG LEU 48 23.381 28.630 7.770
393 HD11 LEU 48 HD11 LEU 48 21.574 29.983 9.011
394 HD12 LEU 48 HD12 LEU 48 23.056 30.802 8.523
395 HD13 LEU 48 HD13 LEU 48 22.839 30.296 10.199
396 HD21 LEU 48 HD21 LEU 48 25.123 27.669 9.169
397 HD22 LEU 48 HD22 LEU 48 24.583 28.642 10.538
398 HD23 LEU 48 HD23 LEU 48 25.270 29.426 9.114
399 HA PRO 49 HA PRO 49 22.513 23.094 11.797
400 HB2 PRO 49 HB2 PRO 49 23.409 24.096 14.156
401 HB3 PRO 49 HB3 PRO 49 24.485 23.410 12.934
402 HG2 PRO 49 HG2 PRO 49 23.850 26.279 13.503
403 HG3 PRO 49 HG3 PRO 49 25.418 25.528 13.152
404 HD2 PRO 49 HD2 PRO 49 23.999 26.879 11.283
405 HD3 PRO 49 HD3 PRO 49 25.035 25.495 10.879
406 H GLY 50 H GLY 50 20.419 22.819 12.256
407 HA2 GLY 50 HA2 GLY 50 18.778 23.162 14.072
408 HA3 GLY 50 HA3 GLY 50 19.082 24.884 13.895
409 H ASP 51 H ASP 51 19.080 23.324 10.914
410 HA ASP 51 HA ASP 51 16.415 24.393 10.339
411 HB2 ASP 51 HB2 ASP 51 18.262 25.149 8.904
412 HB3 ASP 51 HB3 ASP 51 18.599 23.479 8.454
413 H LYS 52 H LYS 52 14.737 23.154 9.683
414 HA LYS 52 HA LYS 52 14.920 20.317 10.121
415 HB2 LYS 52 HB2 LYS 52 12.736 22.267 9.571
416 HB3 LYS 52 HB3 LYS 52 12.434 20.574 9.201
417 HG2 LYS 52 HG2 LYS 52 11.683 20.620 11.339
418 HG3 LYS 52 HG3 LYS 52 13.381 20.247 11.649
419 HD2 LYS 52 HD2 LYS 52 13.026 21.980 13.124
420 HD3 LYS 52 HD3 LYS 52 13.634 22.851 11.714
421 HE2 LYS 52 HE2 LYS 52 11.691 23.980 12.629
422 HE3 LYS 52 HE3 LYS 52 11.324 23.329 11.032
423 HZ1 LYS 52 HZ1 LYS 52 10.699 21.410 12.998
424 HZ2 LYS 52 HZ2 LYS 52 9.666 22.169 11.895
425 HZ3 LYS 52 HZ3 LYS 52 9.955 22.875 13.405
426 H VAL 53 H VAL 53 15.440 18.856 8.643
427 HA VAL 53 HA VAL 53 14.704 19.317 5.844
428 HB VAL 53 HB VAL 53 16.867 18.621 5.020
429 HG11 VAL 53 HG11 VAL 53 17.819 20.660 5.201
430 HG12 VAL 53 HG12 VAL 53 16.316 21.055 6.039
431 HG13 VAL 53 HG13 VAL 53 17.763 20.649 6.963
432 HG21 VAL 53 HG21 VAL 53 17.397 18.106 7.904
433 HG22 VAL 53 HG22 VAL 53 17.813 17.138 6.490
434 HG23 VAL 53 HG23 VAL 53 18.742 18.589 6.870
435 H THR 54 H THR 54 14.774 17.352 4.534
436 HA THR 54 HA THR 54 14.064 15.010 6.149
437 HB THR 54 HB THR 54 13.584 15.427 3.194
438 HG1 THR 54 HG1 THR 54 11.861 16.534 3.730
439 HG21 THR 54 HG21 THR 54 13.528 13.096 3.845
440 HG22 THR 54 HG22 THR 54 11.884 13.654 3.537
441 HG23 THR 54 HG23 THR 54 12.456 13.466 5.194
442 H VAL 55 H VAL 55 14.971 12.990 5.800
443 HA VAL 55 HA VAL 55 17.197 12.801 3.903
444 HB VAL 55 HB VAL 55 18.456 11.518 5.757
445 HG11 VAL 55 HG11 VAL 55 18.407 14.399 6.436
446 HG12 VAL 55 HG12 VAL 55 19.769 13.346 6.044
447 HG13 VAL 55 HG13 VAL 55 18.741 13.976 4.756
448 HG21 VAL 55 HG21 VAL 55 16.664 13.236 7.471
449 HG22 VAL 55 HG22 VAL 55 16.571 11.479 7.344
450 HG23 VAL 55 HG23 VAL 55 18.007 12.239 8.029
451 H GLU 56 H GLU 56 17.372 10.857 2.927
452 HA GLU 56 HA GLU 56 15.432 8.803 3.713
453 HB2 GLU 56 HB2 GLU 56 16.114 9.893 1.229
454 HB3 GLU 56 HB3 GLU 56 16.820 8.283 1.225
455 HG2 GLU 56 HG2 GLU 56 14.830 7.270 1.096
456 HG3 GLU 56 HG3 GLU 56 14.070 8.395 2.220
457 H LEU 57 H LEU 57 16.182 7.199 4.918
458 HA LEU 57 HA LEU 57 18.985 6.624 5.119
459 HB2 LEU 57 HB2 LEU 57 17.331 6.470 6.998
460 HB3 LEU 57 HB3 LEU 57 16.682 5.027 6.222
461 HG LEU 57 HG LEU 57 19.243 4.283 6.413
462 HD11 LEU 57 HD11 LEU 57 19.033 6.622 8.085
463 HD12 LEU 57 HD12 LEU 57 20.452 5.666 7.659
464 HD13 LEU 57 HD13 LEU 57 19.454 5.196 9.035
465 HD21 LEU 57 HD21 LEU 57 17.080 3.258 7.331
466 HD22 LEU 57 HD22 LEU 57 17.475 4.099 8.831
467 HD23 LEU 57 HD23 LEU 57 18.586 2.896 8.175
468 H THR 58 H THR 58 20.104 4.870 4.365
469 HA THR 58 HA THR 58 18.758 3.309 2.274
470 HB THR 58 HB THR 58 21.394 2.706 1.969
471 HG1 THR 58 HG1 THR 58 22.241 5.053 2.087
472 HG21 THR 58 HG21 THR 58 21.182 3.775 -0.025
473 HG22 THR 58 HG22 THR 58 20.534 5.242 0.708
474 HG23 THR 58 HG23 THR 58 19.489 3.844 0.462
475 HA PRO 59 HA PRO 59 19.082 -0.493 4.443
476 HB2 PRO 59 HB2 PRO 59 19.719 -2.231 2.456
477 HB3 PRO 59 HB3 PRO 59 18.117 -1.501 2.617
478 HG2 PRO 59 HG2 PRO 59 20.384 -0.720 0.824
479 HG3 PRO 59 HG3 PRO 59 18.653 -0.832 0.455
480 HD2 PRO 59 HD2 PRO 59 19.884 1.525 0.967
481 HD3 PRO 59 HD3 PRO 59 18.190 1.218 1.402
482 H TYR 60 H TYR 60 21.810 0.719 2.711
483 HA TYR 60 HA TYR 60 23.730 -1.232 3.200
484 HB2 TYR 60 HB2 TYR 60 23.772 1.154 1.958
485 HB3 TYR 60 HB3 TYR 60 24.591 1.597 3.452
486 HD1 TYR 60 HD2 TYR 60 26.672 0.335 4.113
487 HD2 TYR 60 HD1 TYR 60 24.891 -0.054 0.268
488 HE1 TYR 60 HE2 TYR 60 28.776 -0.592 3.238
489 HE2 TYR 60 HE1 TYR 60 26.990 -0.983 -0.617
490 HH TYR 60 HH TYR 60 29.247 -2.292 1.002
491 H ASP 61 H ASP 61 22.667 1.458 5.242
492 HA ASP 61 HA ASP 61 23.114 0.129 7.656
493 HB2 ASP 61 HB2 ASP 61 25.485 1.369 6.510
494 HB3 ASP 61 HB3 ASP 61 25.103 2.022 8.101
495 H LEU 62 H LEU 62 23.172 1.751 9.554
496 HA LEU 62 HA LEU 62 21.241 3.855 8.919
497 HB2 LEU 62 HB2 LEU 62 20.840 2.097 10.706
498 HB3 LEU 62 HB3 LEU 62 22.076 2.923 11.653
499 HG LEU 62 HG LEU 62 20.423 4.989 11.096
500 HD11 LEU 62 HD11 LEU 62 18.334 3.105 11.839
501 HD12 LEU 62 HD12 LEU 62 18.948 2.848 10.207
502 HD13 LEU 62 HD13 LEU 62 18.310 4.425 10.669
503 HD21 LEU 62 HD21 LEU 62 21.163 4.636 13.288
504 HD22 LEU 62 HD22 LEU 62 20.449 3.025 13.367
505 HD23 LEU 62 HD23 LEU 62 19.411 4.452 13.382
506 H SER 63 H SER 63 24.327 3.861 8.694
507 HA SER 63 HA SER 63 24.734 6.371 10.186
508 HB2 SER 63 HB2 SER 63 26.147 4.165 10.679
509 HB3 SER 63 HB3 SER 63 27.081 4.756 9.305
510 HG SER 63 HG SER 63 26.443 6.297 11.602
511 H ARG 64 H ARG 64 23.730 5.750 7.396
512 HA ARG 64 HA ARG 64 25.136 7.867 6.080
513 HB2 ARG 64 HB2 ARG 64 25.810 6.492 4.101
514 HB3 ARG 64 HB3 ARG 64 26.733 6.158 5.560
515 HG2 ARG 64 HG2 ARG 64 25.138 4.221 5.946
516 HG3 ARG 64 HG3 ARG 64 24.592 4.485 4.289
517 HD2 ARG 64 HD2 ARG 64 27.345 3.728 5.241
518 HD3 ARG 64 HD3 ARG 64 26.261 2.798 4.207
519 HE ARG 64 HE ARG 64 28.089 4.812 3.381
520 HH11 ARG 64 HH11 ARG 64 24.966 3.440 2.686
521 HH12 ARG 64 HH12 ARG 64 24.996 3.891 1.013
522 HH21 ARG 64 HH21 ARG 64 28.141 5.411 1.181
523 HH22 ARG 64 HH22 ARG 64 26.803 5.011 0.158
524 H ALA 65 H ALA 65 23.504 8.969 5.238
525 HA ALA 65 HA ALA 65 21.457 7.517 3.711
526 HB1 ALA 65 HB1 ALA 65 20.360 7.918 5.768
527 HB2 ALA 65 HB2 ALA 65 20.964 9.573 5.851
528 HB3 ALA 65 HB3 ALA 65 19.758 9.135 4.642
529 H ARG 66 H ARG 66 20.010 9.274 2.553
530 HA ARG 66 HA ARG 66 21.890 11.041 1.159
531 HB2 ARG 66 HB2 ARG 66 20.305 11.040 -0.677
532 HB3 ARG 66 HB3 ARG 66 20.656 9.384 -0.197
533 HG2 ARG 66 HG2 ARG 66 18.536 9.476 1.180
534 HG3 ARG 66 HG3 ARG 66 18.172 10.983 0.337
535 HD2 ARG 66 HD2 ARG 66 18.609 8.277 -0.921
536 HD3 ARG 66 HD3 ARG 66 17.070 9.121 -0.758
537 HE ARG 66 HE ARG 66 18.795 10.797 -2.154
538 HH11 ARG 66 HH11 ARG 66 17.260 7.700 -2.571
539 HH12 ARG 66 HH12 ARG 66 17.193 7.820 -4.298
540 HH21 ARG 66 HH21 ARG 66 18.712 10.967 -4.427
541 HH22 ARG 66 HH22 ARG 66 18.020 9.678 -5.353
542 H ILE 67 H ILE 67 21.702 13.199 1.220
543 HA ILE 67 HA ILE 67 19.861 14.393 3.059
544 HB ILE 67 HB ILE 67 21.730 15.762 1.122
545 HG12 ILE 67 HG12 ILE 67 22.875 14.180 2.670
546 HG13 ILE 67 HG13 ILE 67 23.330 15.860 2.935
547 HG21 ILE 67 HG21 ILE 67 20.678 17.600 1.816
548 HG22 ILE 67 HG22 ILE 67 19.813 16.721 3.075
549 HG23 ILE 67 HG23 ILE 67 21.440 17.326 3.382
550 HD11 ILE 67 HD11 ILE 67 22.614 14.122 4.881
551 HD12 ILE 67 HD12 ILE 67 22.501 15.878 5.011
552 HD13 ILE 67 HD13 ILE 67 21.081 14.933 4.564
553 H VAL 68 H VAL 68 17.876 15.082 2.642
554 HA VAL 68 HA VAL 68 17.118 15.577 -0.162
555 HB VAL 68 HB VAL 68 15.151 15.051 2.048
556 HG11 VAL 68 HG11 VAL 68 13.845 15.640 0.310
557 HG12 VAL 68 HG12 VAL 68 15.098 15.295 -0.884
558 HG13 VAL 68 HG13 VAL 68 14.131 13.981 -0.215
559 HG21 VAL 68 HG21 VAL 68 15.314 12.669 0.733
560 HG22 VAL 68 HG22 VAL 68 17.007 13.159 0.797
561 HG23 VAL 68 HG23 VAL 68 16.073 13.017 2.286
562 H PHE 69 H PHE 69 15.423 17.229 -0.491
563 HA PHE 69 HA PHE 69 16.161 19.725 0.386
564 HB2 PHE 69 HB2 PHE 69 13.335 18.954 -0.359
565 HB3 PHE 69 HB3 PHE 69 14.073 20.546 -0.499
566 HD1 PHE 69 HD1 PHE 69 16.655 19.933 -1.716
567 HD2 PHE 69 HD2 PHE 69 12.798 18.319 -2.515
568 HE1 PHE 69 HE1 PHE 69 17.355 19.406 -4.016
569 HE2 PHE 69 HE2 PHE 69 13.492 17.789 -4.815
570 HZ PHE 69 HZ PHE 69 15.773 18.332 -5.568
571 H ARG 70 H ARG 70 14.855 21.288 1.691
572 HA ARG 70 HA ARG 70 14.769 20.598 4.350
573 HB2 ARG 70 HB2 ARG 70 13.305 22.616 4.647
574 HB3 ARG 70 HB3 ARG 70 14.778 22.905 3.730
575 HG2 ARG 70 HG2 ARG 70 13.473 22.744 1.644
576 HG3 ARG 70 HG3 ARG 70 12.007 22.553 2.607
577 HD2 ARG 70 HD2 ARG 70 12.692 24.757 3.725
578 HD3 ARG 70 HD3 ARG 70 13.803 24.946 2.369
579 HE ARG 70 HE ARG 70 11.443 24.453 1.154
580 HH11 ARG 70 HH11 ARG 70 12.428 26.712 3.613
581 HH12 ARG 70 HH12 ARG 70 11.272 27.918 3.153
582 HH21 ARG 70 HH21 ARG 70 9.917 26.033 0.538
583 HH22 ARG 70 HH22 ARG 70 9.844 27.530 1.404
584 H ALA 71 H ALA 71 12.944 20.415 5.837
585 HA ALA 71 HA ALA 71 11.074 18.442 4.933
586 HB1 ALA 71 HB1 ALA 71 10.272 19.267 7.469
587 HB2 ALA 71 HB2 ALA 71 11.301 17.890 7.074
588 HB3 ALA 71 HB3 ALA 71 12.027 19.450 7.463
589 H LYS 72 H LYS 72 9.190 18.829 3.993
590 HA LYS 72 HA LYS 72 8.106 21.424 3.698
591 HB2 LYS 72 HB2 LYS 72 7.701 19.742 2.015
592 HB3 LYS 72 HB3 LYS 72 6.912 18.695 3.188
593 HG2 LYS 72 HG2 LYS 72 5.247 19.734 1.814
594 HG3 LYS 72 HG3 LYS 72 5.134 20.393 3.447
595 HD2 LYS 72 HD2 LYS 72 5.835 22.461 2.807
596 HD3 LYS 72 HD3 LYS 72 6.876 21.831 1.528
597 HE2 LYS 72 HE2 LYS 72 5.189 21.784 -0.008
598 HE3 LYS 72 HE3 LYS 72 3.942 21.508 1.207
599 HZ1 LYS 72 HZ1 LYS 72 3.570 23.670 0.500
600 HZ2 LYS 72 HZ2 LYS 72 5.216 24.051 0.421
601 HZ3 LYS 72 HZ3 LYS 72 4.456 23.892 1.924
Start of MODEL 2
1 H1 MET 1 H MET 1 10.818 -1.748 -13.556
2 HA MET 1 HA MET 1 10.677 -3.732 -12.137
3 HB2 MET 1 HB2 MET 1 13.207 -3.707 -13.793
4 HB3 MET 1 HB3 MET 1 12.393 -5.147 -13.197
5 HG2 MET 1 HG2 MET 1 10.398 -4.506 -14.518
6 HG3 MET 1 HG3 MET 1 11.322 -3.162 -15.186
7 HE1 MET 1 HE1 MET 1 10.638 -3.757 -17.253
8 HE2 MET 1 HE2 MET 1 12.139 -4.076 -18.123
9 HE3 MET 1 HE3 MET 1 10.852 -5.282 -18.114
10 H ALA 2 H ALA 2 11.826 -1.633 -10.506
11 HA ALA 2 HA ALA 2 13.791 -3.241 -9.011
12 HB1 ALA 2 HB1 ALA 2 13.796 -0.260 -9.446
13 HB2 ALA 2 HB2 ALA 2 14.818 -1.092 -8.273
14 HB3 ALA 2 HB3 ALA 2 15.000 -1.427 -9.995
15 H LYS 3 H LYS 3 14.012 -2.019 -6.703
16 HA LYS 3 HA LYS 3 11.337 -1.388 -5.694
17 HB2 LYS 3 HB2 LYS 3 13.133 -3.469 -4.434
18 HB3 LYS 3 HB3 LYS 3 11.563 -2.950 -3.834
19 HG2 LYS 3 HG2 LYS 3 11.929 -4.206 -6.538
20 HG3 LYS 3 HG3 LYS 3 11.627 -5.146 -5.075
21 HD2 LYS 3 HD2 LYS 3 9.560 -3.801 -4.718
22 HD3 LYS 3 HD3 LYS 3 9.844 -3.032 -6.281
23 HE2 LYS 3 HE2 LYS 3 9.637 -6.014 -5.963
24 HE3 LYS 3 HE3 LYS 3 8.225 -4.995 -6.235
25 HZ1 LYS 3 HZ1 LYS 3 9.814 -4.148 -8.184
26 HZ2 LYS 3 HZ2 LYS 3 8.717 -5.421 -8.375
27 HZ3 LYS 3 HZ3 LYS 3 10.348 -5.750 -8.069
28 H ASP 4 H ASP 4 11.496 -0.729 -3.305
29 HA ASP 4 HA ASP 4 13.957 0.207 -2.268
30 HB2 ASP 4 HB2 ASP 4 13.892 2.509 -2.682
31 HB3 ASP 4 HB3 ASP 4 13.448 1.807 -4.236
32 H ASP 5 H ASP 5 13.635 1.578 -0.315
33 HA ASP 5 HA ASP 5 11.026 1.861 0.802
34 HB2 ASP 5 HB2 ASP 5 11.117 -0.498 1.168
35 HB3 ASP 5 HB3 ASP 5 12.772 -0.406 1.765
36 H VAL 6 H VAL 6 11.888 3.980 1.028
37 HA VAL 6 HA VAL 6 13.752 4.246 3.297
38 HB VAL 6 HB VAL 6 14.393 6.472 2.255
39 HG11 VAL 6 HG11 VAL 6 15.117 3.936 0.791
40 HG12 VAL 6 HG12 VAL 6 16.026 5.448 0.734
41 HG13 VAL 6 HG13 VAL 6 15.889 4.556 2.250
42 HG21 VAL 6 HG21 VAL 6 13.031 5.217 -0.125
43 HG22 VAL 6 HG22 VAL 6 12.586 6.721 0.681
44 HG23 VAL 6 HG23 VAL 6 14.106 6.613 -0.206
45 H ILE 7 H ILE 7 13.083 5.460 4.960
46 HA ILE 7 HA ILE 7 10.485 6.796 4.711
47 HB ILE 7 HB ILE 7 10.391 6.761 7.144
48 HG12 ILE 7 HG12 ILE 7 12.391 5.095 8.017
49 HG13 ILE 7 HG13 ILE 7 13.234 6.089 6.834
50 HG21 ILE 7 HG21 ILE 7 9.645 4.799 5.800
51 HG22 ILE 7 HG22 ILE 7 11.207 4.047 6.123
52 HG23 ILE 7 HG23 ILE 7 10.108 4.404 7.455
53 HD11 ILE 7 HD11 ILE 7 11.661 7.818 8.413
54 HD12 ILE 7 HD12 ILE 7 12.509 6.720 9.502
55 HD13 ILE 7 HD13 ILE 7 13.418 7.688 8.341
56 H GLN 8 H GLN 8 10.232 8.943 4.968
57 HA GLN 8 HA GLN 8 12.623 10.575 5.082
58 HB2 GLN 8 HB2 GLN 8 9.730 11.399 4.786
59 HB3 GLN 8 HB3 GLN 8 11.129 12.438 4.554
60 HG2 GLN 8 HG2 GLN 8 11.670 11.503 2.541
61 HG3 GLN 8 HG3 GLN 8 10.919 9.957 2.933
62 HE21 GLN 8 HE21 GLN 8 10.638 12.692 1.119
63 HE22 GLN 8 HE22 GLN 8 8.948 12.631 0.769
64 H MET 9 H MET 9 13.438 11.243 6.945
65 HA MET 9 HA MET 9 11.624 11.600 9.235
66 HB2 MET 9 HB2 MET 9 13.720 9.980 9.205
67 HB3 MET 9 HB3 MET 9 14.586 11.465 9.575
68 HG2 MET 9 HG2 MET 9 14.162 10.679 11.674
69 HG3 MET 9 HG3 MET 9 12.764 11.723 11.424
70 HE1 MET 9 HE1 MET 9 10.744 11.281 11.831
71 HE2 MET 9 HE2 MET 9 10.068 10.216 10.598
72 HE3 MET 9 HE3 MET 9 9.986 9.759 12.300
73 H GLN 10 H GLN 10 11.971 13.403 10.646
74 HA GLN 10 HA GLN 10 13.069 15.729 9.225
75 HB2 GLN 10 HB2 GLN 10 10.743 15.306 10.980
76 HB3 GLN 10 HB3 GLN 10 11.647 16.780 11.303
77 HG2 GLN 10 HG2 GLN 10 10.349 17.673 9.727
78 HG3 GLN 10 HG3 GLN 10 11.440 16.868 8.599
79 HE21 GLN 10 HE21 GLN 10 10.726 14.302 8.691
80 HE22 GLN 10 HE22 GLN 10 9.084 14.091 8.196
81 H GLY 11 H GLY 11 15.070 16.219 9.842
82 HA2 GLY 11 HA2 GLY 11 15.662 16.185 12.735
83 HA3 GLY 11 HA3 GLY 11 16.815 15.573 11.559
84 H GLU 12 H GLU 12 17.782 17.423 13.168
85 HA GLU 12 HA GLU 12 17.682 19.935 11.632
86 HB2 GLU 12 HB2 GLU 12 16.916 20.396 13.828
87 HB3 GLU 12 HB3 GLU 12 18.185 19.422 14.557
88 HG2 GLU 12 HG2 GLU 12 19.661 21.099 14.527
89 HG3 GLU 12 HG3 GLU 12 19.169 21.637 12.923
90 H VAL 13 H VAL 13 19.549 20.823 10.886
91 HA VAL 13 HA VAL 13 21.819 19.131 10.608
92 HB VAL 13 HB VAL 13 21.501 22.065 9.958
93 HG11 VAL 13 HG11 VAL 13 23.431 21.193 8.296
94 HG12 VAL 13 HG12 VAL 13 23.755 21.956 9.853
95 HG13 VAL 13 HG13 VAL 13 23.770 20.198 9.711
96 HG21 VAL 13 HG21 VAL 13 21.101 21.349 7.696
97 HG22 VAL 13 HG22 VAL 13 21.380 19.664 8.135
98 HG23 VAL 13 HG23 VAL 13 19.969 20.516 8.763
99 H ILE 14 H ILE 14 23.375 18.811 12.042
100 HA ILE 14 HA ILE 14 23.941 20.931 14.009
101 HB ILE 14 HB ILE 14 23.092 18.851 15.014
102 HG12 ILE 14 HG12 ILE 14 24.934 18.526 16.642
103 HG13 ILE 14 HG13 ILE 14 26.016 19.405 15.567
104 HG21 ILE 14 HG21 ILE 14 25.536 17.603 13.767
105 HG22 ILE 14 HG22 ILE 14 24.501 16.822 14.960
106 HG23 ILE 14 HG23 ILE 14 23.853 17.250 13.377
107 HD11 ILE 14 HD11 ILE 14 25.111 20.729 17.473
108 HD12 ILE 14 HD12 ILE 14 24.804 21.425 15.882
109 HD13 ILE 14 HD13 ILE 14 23.514 20.584 16.740
110 H GLU 15 H GLU 15 25.297 18.743 11.655
111 HA GLU 15 HA GLU 15 27.883 20.112 11.954
112 HB2 GLU 15 HB2 GLU 15 27.296 17.238 12.099
113 HB3 GLU 15 HB3 GLU 15 28.595 17.647 10.988
114 HG2 GLU 15 HG2 GLU 15 29.502 19.052 12.971
115 HG3 GLU 15 HG3 GLU 15 28.446 18.029 13.943
116 H ASN 16 H ASN 16 29.057 20.447 10.054
117 HA ASN 16 HA ASN 16 27.649 19.816 7.548
118 HB2 ASN 16 HB2 ASN 16 28.571 22.089 6.744
119 HB3 ASN 16 HB3 ASN 16 27.163 22.097 7.801
120 HD21 ASN 16 HD21 ASN 16 27.362 22.830 9.903
121 HD22 ASN 16 HD22 ASN 16 28.739 23.721 10.446
122 H LEU 17 H LEU 17 28.896 18.527 6.374
123 HA LEU 17 HA LEU 17 31.816 18.847 6.538
124 HB2 LEU 17 HB2 LEU 17 30.040 16.496 6.059
125 HB3 LEU 17 HB3 LEU 17 31.678 16.492 5.409
126 HG LEU 17 HG LEU 17 30.989 16.817 8.328
127 HD11 LEU 17 HD11 LEU 17 31.102 14.596 8.620
128 HD12 LEU 17 HD12 LEU 17 32.369 14.395 7.410
129 HD13 LEU 17 HD13 LEU 17 30.684 14.530 6.908
130 HD21 LEU 17 HD21 LEU 17 33.617 16.374 6.915
131 HD22 LEU 17 HD22 LEU 17 33.383 16.402 8.663
132 HD23 LEU 17 HD23 LEU 17 33.098 17.860 7.710
133 HA PRO 18 HA PRO 18 32.121 20.022 2.322
134 HB2 PRO 18 HB2 PRO 18 34.373 18.731 1.528
135 HB3 PRO 18 HB3 PRO 18 34.397 20.122 2.618
136 HG2 PRO 18 HG2 PRO 18 34.573 17.205 3.266
137 HG3 PRO 18 HG3 PRO 18 35.506 18.558 3.933
138 HD2 PRO 18 HD2 PRO 18 33.410 17.449 5.240
139 HD3 PRO 18 HD3 PRO 18 33.821 19.170 5.381
140 H ASN 19 H ASN 19 32.874 18.863 0.083
141 HA ASN 19 HA ASN 19 32.263 17.449 -1.591
142 HB2 ASN 19 HB2 ASN 19 31.604 15.329 0.433
143 HB3 ASN 19 HB3 ASN 19 32.287 15.145 -1.180
144 HD21 ASN 19 HD21 ASN 19 34.473 16.185 -1.459
145 HD22 ASN 19 HD22 ASN 19 35.598 15.981 -0.164
146 H ALA 20 H ALA 20 30.273 19.061 -0.008
147 HA ALA 20 HA ALA 20 28.040 19.497 -0.082
148 HB1 ALA 20 HB1 ALA 20 26.758 18.670 -1.916
149 HB2 ALA 20 HB2 ALA 20 28.394 18.973 -2.501
150 HB3 ALA 20 HB3 ALA 20 27.871 17.324 -2.160
151 H THR 21 H THR 21 28.503 18.229 2.089
152 HA THR 21 HA THR 21 26.332 16.280 2.322
153 HB THR 21 HB THR 21 27.680 14.814 3.767
154 HG1 THR 21 HG1 THR 21 29.640 15.376 4.354
155 HG21 THR 21 HG21 THR 21 28.772 15.296 0.996
156 HG22 THR 21 HG22 THR 21 27.510 14.159 1.469
157 HG23 THR 21 HG23 THR 21 29.176 13.890 1.980
158 H PHE 22 H PHE 22 25.649 15.937 4.571
159 HA PHE 22 HA PHE 22 26.538 17.852 6.547
160 HB2 PHE 22 HB2 PHE 22 23.793 17.998 5.304
161 HB3 PHE 22 HB3 PHE 22 24.158 18.690 6.881
162 HD1 PHE 22 HD2 PHE 22 25.658 20.608 7.078
163 HD2 PHE 22 HD1 PHE 22 24.567 19.017 3.284
164 HE1 PHE 22 HE2 PHE 22 26.457 22.665 5.989
165 HE2 PHE 22 HE1 PHE 22 25.365 21.071 2.189
166 HZ PHE 22 HZ PHE 22 26.310 22.899 3.542
167 H ARG 23 H ARG 23 25.669 17.446 8.659
168 HA ARG 23 HA ARG 23 24.539 14.737 8.925
169 HB2 ARG 23 HB2 ARG 23 26.622 16.194 10.510
170 HB3 ARG 23 HB3 ARG 23 25.647 14.955 11.287
171 HG2 ARG 23 HG2 ARG 23 26.408 13.608 9.101
172 HG3 ARG 23 HG3 ARG 23 27.781 14.703 9.270
173 HD2 ARG 23 HD2 ARG 23 28.595 13.289 10.782
174 HD3 ARG 23 HD3 ARG 23 27.289 13.801 11.849
175 HE ARG 23 HE ARG 23 26.119 11.872 10.387
176 HH11 ARG 23 HH11 ARG 23 29.123 11.994 12.142
177 HH12 ARG 23 HH12 ARG 23 29.126 10.302 12.513
178 HH21 ARG 23 HH21 ARG 23 26.111 9.642 10.870
179 HH22 ARG 23 HH22 ARG 23 27.413 8.965 11.788
180 H VAL 24 H VAL 24 22.444 14.906 9.394
181 HA VAL 24 HA VAL 24 21.553 17.058 11.186
182 HB VAL 24 HB VAL 24 19.285 16.586 10.379
183 HG11 VAL 24 HG11 VAL 24 20.030 16.967 7.788
184 HG12 VAL 24 HG12 VAL 24 19.966 18.234 9.016
185 HG13 VAL 24 HG13 VAL 24 21.495 17.433 8.651
186 HG21 VAL 24 HG21 VAL 24 19.754 14.150 9.925
187 HG22 VAL 24 HG22 VAL 24 18.810 14.987 8.693
188 HG23 VAL 24 HG23 VAL 24 20.522 14.662 8.422
189 H LYS 25 H LYS 25 20.279 16.626 12.989
190 HA LYS 25 HA LYS 25 20.528 13.891 14.015
191 HB2 LYS 25 HB2 LYS 25 19.694 16.296 15.619
192 HB3 LYS 25 HB3 LYS 25 20.387 14.785 16.194
193 HG2 LYS 25 HG2 LYS 25 22.390 15.636 14.621
194 HG3 LYS 25 HG3 LYS 25 21.704 17.187 15.109
195 HD2 LYS 25 HD2 LYS 25 22.569 14.981 16.979
196 HD3 LYS 25 HD3 LYS 25 23.481 16.452 16.635
197 HE2 LYS 25 HE2 LYS 25 21.439 17.728 17.437
198 HE3 LYS 25 HE3 LYS 25 20.834 16.186 18.040
199 HZ1 LYS 25 HZ1 LYS 25 21.912 17.027 19.866
200 HZ2 LYS 25 HZ2 LYS 25 23.137 17.764 18.962
201 HZ3 LYS 25 HZ3 LYS 25 23.142 16.086 19.183
202 H LEU 26 H LEU 26 18.808 12.619 14.300
203 HA LEU 26 HA LEU 26 16.222 13.512 13.432
204 HB2 LEU 26 HB2 LEU 26 16.759 10.900 14.798
205 HB3 LEU 26 HB3 LEU 26 15.549 11.279 13.573
206 HG LEU 26 HG LEU 26 18.521 11.023 13.117
207 HD11 LEU 26 HD11 LEU 26 16.778 8.998 13.484
208 HD12 LEU 26 HD12 LEU 26 18.190 8.907 12.432
209 HD13 LEU 26 HD13 LEU 26 16.603 9.262 11.748
210 HD21 LEU 26 HD21 LEU 26 17.206 10.947 10.686
211 HD22 LEU 26 HD22 LEU 26 18.152 12.292 11.324
212 HD23 LEU 26 HD23 LEU 26 16.405 12.252 11.561
213 H GLU 27 H GLU 27 14.806 11.721 15.332
214 HA GLU 27 HA GLU 27 14.445 13.698 17.443
215 HB2 GLU 27 HB2 GLU 27 12.394 12.471 17.971
216 HB3 GLU 27 HB3 GLU 27 12.457 12.893 16.266
217 HG2 GLU 27 HG2 GLU 27 13.244 10.597 15.776
218 HG3 GLU 27 HG3 GLU 27 13.023 10.198 17.479
219 H ASN 28 H ASN 28 15.332 10.314 17.024
220 HA ASN 28 HA ASN 28 15.417 9.652 19.775
221 HB2 ASN 28 HB2 ASN 28 16.628 8.427 17.306
222 HB3 ASN 28 HB3 ASN 28 16.967 7.777 18.907
223 HD21 ASN 28 HD21 ASN 28 15.604 6.521 16.690
224 HD22 ASN 28 HD22 ASN 28 14.022 6.113 17.253
225 H GLY 29 H GLY 29 17.467 11.527 17.809
226 HA2 GLY 29 HA2 GLY 29 19.135 12.897 18.903
227 HA3 GLY 29 HA3 GLY 29 19.491 11.533 19.954
228 H HIS 30 H HIS 30 19.218 9.874 17.330
229 HA HIS 30 HA HIS 30 22.011 9.706 16.835
230 HB2 HIS 30 HB2 HIS 30 19.827 8.552 15.101
231 HB3 HIS 30 HB3 HIS 30 21.478 7.967 15.287
232 HD1 HIS 30 HD1 HIS 30 18.765 6.345 15.842
233 HD2 HIS 30 HD2 HIS 30 21.307 8.006 18.678
234 HE1 HIS 30 HE1 HIS 30 18.353 5.047 17.956
235 H VAL 31 H VAL 31 23.242 10.495 15.201
236 HA VAL 31 HA VAL 31 21.986 12.512 13.482
237 HB VAL 31 HB VAL 31 24.233 13.384 13.107
238 HG11 VAL 31 HG11 VAL 31 24.307 14.521 15.061
239 HG12 VAL 31 HG12 VAL 31 22.773 13.693 15.336
240 HG13 VAL 31 HG13 VAL 31 24.260 13.057 16.042
241 HG21 VAL 31 HG21 VAL 31 24.995 10.813 14.238
242 HG22 VAL 31 HG22 VAL 31 25.915 11.917 13.216
243 HG23 VAL 31 HG23 VAL 31 25.864 12.166 14.961
244 H VAL 32 H VAL 32 21.861 12.289 11.332
245 HA VAL 32 HA VAL 32 23.138 9.923 10.130
246 HB VAL 32 HB VAL 32 21.398 9.912 8.462
247 HG11 VAL 32 HG11 VAL 32 20.081 8.764 9.834
248 HG12 VAL 32 HG12 VAL 32 20.987 9.438 11.191
249 HG13 VAL 32 HG13 VAL 32 19.526 10.243 10.617
250 HG21 VAL 32 HG21 VAL 32 20.946 12.619 9.442
251 HG22 VAL 32 HG22 VAL 32 20.559 11.902 7.878
252 HG23 VAL 32 HG23 VAL 32 19.458 11.695 9.240
253 H LEU 33 H LEU 33 24.443 10.137 8.389
254 HA LEU 33 HA LEU 33 25.014 12.876 7.495
255 HB2 LEU 33 HB2 LEU 33 26.933 11.806 8.419
256 HB3 LEU 33 HB3 LEU 33 26.659 10.356 7.455
257 HG LEU 33 HG LEU 33 27.162 11.714 5.415
258 HD11 LEU 33 HD11 LEU 33 26.672 13.917 6.371
259 HD12 LEU 33 HD12 LEU 33 28.295 13.844 5.685
260 HD13 LEU 33 HD13 LEU 33 28.071 13.762 7.433
261 HD21 LEU 33 HD21 LEU 33 28.916 10.643 7.371
262 HD22 LEU 33 HD22 LEU 33 29.662 12.097 6.708
263 HD23 LEU 33 HD23 LEU 33 29.166 10.790 5.631
264 H GLY 34 H GLY 34 24.779 13.472 5.408
265 HA2 GLY 34 HA2 GLY 34 24.560 11.502 3.299
266 HA3 GLY 34 HA3 GLY 34 23.057 12.337 3.667
267 H HIS 35 H HIS 35 23.536 12.821 1.266
268 HA HIS 35 HA HIS 35 24.988 15.381 1.150
269 HB2 HIS 35 HB2 HIS 35 25.693 14.885 -1.110
270 HB3 HIS 35 HB3 HIS 35 26.194 13.567 -0.055
271 HD1 HIS 35 HD1 HIS 35 25.360 11.262 -0.615
272 HD2 HIS 35 HD2 HIS 35 23.456 14.234 -2.806
273 HE1 HIS 35 HE1 HIS 35 23.996 10.051 -2.347
274 H ILE 36 H ILE 36 24.079 17.018 -0.099
275 HA ILE 36 HA ILE 36 21.225 16.658 -0.651
276 HB ILE 36 HB ILE 36 21.728 18.510 0.813
277 HG12 ILE 36 HG12 ILE 36 20.691 20.352 -0.462
278 HG13 ILE 36 HG13 ILE 36 20.999 19.481 -1.960
279 HG21 ILE 36 HG21 ILE 36 23.088 20.420 0.037
280 HG22 ILE 36 HG22 ILE 36 24.021 18.932 0.188
281 HG23 ILE 36 HG23 ILE 36 23.515 19.498 -1.404
282 HD11 ILE 36 HD11 ILE 36 18.714 19.179 -1.360
283 HD12 ILE 36 HD12 ILE 36 19.553 17.648 -1.109
284 HD13 ILE 36 HD13 ILE 36 19.153 18.672 0.270
285 H SER 37 H SER 37 20.380 16.787 -2.647
286 HA SER 37 HA SER 37 21.870 17.987 -4.826
287 HB2 SER 37 HB2 SER 37 22.546 15.489 -4.538
288 HB3 SER 37 HB3 SER 37 20.957 15.151 -5.223
289 HG SER 37 HG SER 37 22.679 15.294 -6.790
290 H GLY 38 H GLY 38 20.580 17.952 -6.881
291 HA2 GLY 38 HA2 GLY 38 18.226 17.371 -7.671
292 HA3 GLY 38 HA3 GLY 38 17.718 18.205 -6.209
293 H LYS 39 H LYS 39 16.491 19.492 -7.812
294 HA LYS 39 HA LYS 39 17.971 21.284 -9.514
295 HB2 LYS 39 HB2 LYS 39 15.693 20.418 -10.073
296 HB3 LYS 39 HB3 LYS 39 15.047 21.382 -8.751
297 HG2 LYS 39 HG2 LYS 39 16.249 23.342 -10.011
298 HG3 LYS 39 HG3 LYS 39 16.114 22.248 -11.390
299 HD2 LYS 39 HD2 LYS 39 13.813 23.111 -9.637
300 HD3 LYS 39 HD3 LYS 39 14.210 23.821 -11.204
301 HE2 LYS 39 HE2 LYS 39 14.067 21.364 -12.049
302 HE3 LYS 39 HE3 LYS 39 13.149 21.098 -10.567
303 HZ1 LYS 39 HZ1 LYS 39 12.378 22.459 -12.985
304 HZ2 LYS 39 HZ2 LYS 39 12.005 23.321 -11.579
305 HZ3 LYS 39 HZ3 LYS 39 11.415 21.750 -11.789
306 H MET 40 H MET 40 16.733 21.310 -6.285
307 HA MET 40 HA MET 40 16.868 24.187 -6.015
308 HB2 MET 40 HB2 MET 40 15.312 22.450 -4.775
309 HB3 MET 40 HB3 MET 40 16.671 22.356 -3.663
310 HG2 MET 40 HG2 MET 40 15.471 24.000 -2.662
311 HG3 MET 40 HG3 MET 40 16.474 24.978 -3.731
312 HE1 MET 40 HE1 MET 40 12.404 24.199 -3.076
313 HE2 MET 40 HE2 MET 40 13.691 24.946 -2.129
314 HE3 MET 40 HE3 MET 40 12.577 25.954 -3.054
315 H ARG 41 H ARG 41 18.972 21.507 -5.659
316 HA ARG 41 HA ARG 41 20.766 22.771 -3.792
317 HB2 ARG 41 HB2 ARG 41 20.629 20.366 -3.772
318 HB3 ARG 41 HB3 ARG 41 21.015 20.283 -5.485
319 HG2 ARG 41 HG2 ARG 41 22.911 19.665 -4.056
320 HG3 ARG 41 HG3 ARG 41 23.255 21.074 -5.061
321 HD2 ARG 41 HD2 ARG 41 22.785 22.541 -3.160
322 HD3 ARG 41 HD3 ARG 41 22.440 21.132 -2.158
323 HE ARG 41 HE ARG 41 24.947 20.652 -3.039
324 HH11 ARG 41 HH11 ARG 41 23.446 23.391 -1.500
325 HH12 ARG 41 HH12 ARG 41 24.898 23.905 -0.706
326 HH21 ARG 41 HH21 ARG 41 26.864 21.319 -1.999
327 HH22 ARG 41 HH22 ARG 41 26.841 22.727 -0.991
328 H MET 42 H MET 42 20.239 22.886 -7.155
329 HA MET 42 HA MET 42 22.939 23.560 -7.895
330 HB2 MET 42 HB2 MET 42 20.326 23.743 -9.401
331 HB3 MET 42 HB3 MET 42 21.892 24.131 -10.100
332 HG2 MET 42 HG2 MET 42 21.364 21.457 -8.863
333 HG3 MET 42 HG3 MET 42 20.898 21.810 -10.525
334 HE1 MET 42 HE1 MET 42 23.923 19.918 -11.699
335 HE2 MET 42 HE2 MET 42 22.688 19.414 -10.546
336 HE3 MET 42 HE3 MET 42 22.238 20.372 -11.957
337 H HIS 43 H HIS 43 20.206 25.230 -6.670
338 HA HIS 43 HA HIS 43 21.035 27.827 -7.649
339 HB2 HIS 43 HB2 HIS 43 18.622 27.147 -7.294
340 HB3 HIS 43 HB3 HIS 43 18.932 27.237 -5.563
341 HD1 HIS 43 HD1 HIS 43 19.835 29.645 -8.374
342 HD2 HIS 43 HD2 HIS 43 17.807 29.552 -4.749
343 HE1 HIS 43 HE1 HIS 43 19.098 32.013 -7.955
344 H TYR 44 H TYR 44 22.037 25.815 -5.214
345 HA TYR 44 HA TYR 44 23.395 26.080 -3.409
346 HB2 TYR 44 HB2 TYR 44 23.716 28.965 -4.229
347 HB3 TYR 44 HB3 TYR 44 24.845 27.967 -3.320
348 HD1 TYR 44 HD2 TYR 44 25.776 25.875 -4.580
349 HD2 TYR 44 HD1 TYR 44 24.024 29.236 -6.512
350 HE1 TYR 44 HE2 TYR 44 26.928 25.269 -6.667
351 HE2 TYR 44 HE1 TYR 44 25.170 28.639 -8.605
352 HH TYR 44 HH TYR 44 27.403 25.888 -8.755
353 H ILE 45 H ILE 45 21.101 25.917 -2.445
354 HA ILE 45 HA ILE 45 19.777 28.121 -1.363
355 HB ILE 45 HB ILE 45 18.569 26.632 -0.007
356 HG12 ILE 45 HG12 ILE 45 20.417 25.616 1.203
357 HG13 ILE 45 HG13 ILE 45 19.373 24.355 0.557
358 HG21 ILE 45 HG21 ILE 45 19.140 24.506 -1.899
359 HG22 ILE 45 HG22 ILE 45 17.674 25.460 -1.678
360 HG23 ILE 45 HG23 ILE 45 18.986 26.080 -2.680
361 HD11 ILE 45 HD11 ILE 45 22.108 25.171 -0.330
362 HD12 ILE 45 HD12 ILE 45 21.515 23.577 0.140
363 HD13 ILE 45 HD13 ILE 45 21.027 24.281 -1.402
364 H ARG 46 H ARG 46 19.606 28.715 0.940
365 HA ARG 46 HA ARG 46 22.226 29.215 2.026
366 HB2 ARG 46 HB2 ARG 46 19.463 30.152 2.554
367 HB3 ARG 46 HB3 ARG 46 20.573 30.186 3.918
368 HG2 ARG 46 HG2 ARG 46 20.878 32.279 3.050
369 HG3 ARG 46 HG3 ARG 46 22.156 31.388 2.222
370 HD2 ARG 46 HD2 ARG 46 21.180 32.549 0.482
371 HD3 ARG 46 HD3 ARG 46 20.342 31.000 0.402
372 HE ARG 46 HE ARG 46 18.393 32.049 1.017
373 HH11 ARG 46 HH11 ARG 46 21.087 34.196 1.522
374 HH12 ARG 46 HH12 ARG 46 20.094 35.580 1.835
375 HH21 ARG 46 HH21 ARG 46 17.074 33.864 1.428
376 HH22 ARG 46 HH22 ARG 46 17.811 35.390 1.783
377 H ILE 47 H ILE 47 23.235 27.678 3.140
378 HA ILE 47 HA ILE 47 21.651 26.011 4.983
379 HB ILE 47 HB ILE 47 24.298 25.358 3.684
380 HG12 ILE 47 HG12 ILE 47 21.579 24.117 3.226
381 HG13 ILE 47 HG13 ILE 47 22.304 25.322 2.168
382 HG21 ILE 47 HG21 ILE 47 23.638 23.033 4.630
383 HG22 ILE 47 HG22 ILE 47 24.373 24.227 5.699
384 HG23 ILE 47 HG23 ILE 47 22.630 23.966 5.736
385 HD11 ILE 47 HD11 ILE 47 23.289 23.692 1.053
386 HD12 ILE 47 HD12 ILE 47 24.209 23.279 2.501
387 HD13 ILE 47 HD13 ILE 47 22.659 22.498 2.189
388 H LEU 48 H LEU 48 22.227 25.881 7.095
389 HA LEU 48 HA LEU 48 24.781 26.744 8.062
390 HB2 LEU 48 HB2 LEU 48 23.538 28.472 9.602
391 HB3 LEU 48 HB3 LEU 48 24.145 28.929 8.012
392 HG LEU 48 HG LEU 48 21.859 28.619 7.102
393 HD11 LEU 48 HD11 LEU 48 20.578 27.262 8.362
394 HD12 LEU 48 HD12 LEU 48 20.150 28.766 9.177
395 HD13 LEU 48 HD13 LEU 48 21.386 27.712 9.864
396 HD21 LEU 48 HD21 LEU 48 21.377 30.766 7.540
397 HD22 LEU 48 HD22 LEU 48 22.905 30.753 8.423
398 HD23 LEU 48 HD23 LEU 48 21.384 30.517 9.286
399 HA PRO 49 HA PRO 49 23.725 24.152 11.441
400 HB2 PRO 49 HB2 PRO 49 25.008 25.348 13.513
401 HB3 PRO 49 HB3 PRO 49 25.858 24.476 12.232
402 HG2 PRO 49 HG2 PRO 49 25.430 27.421 12.558
403 HG3 PRO 49 HG3 PRO 49 26.896 26.551 12.068
404 HD2 PRO 49 HD2 PRO 49 25.262 27.772 10.286
405 HD3 PRO 49 HD3 PRO 49 26.170 26.297 9.895
406 H GLY 50 H GLY 50 21.699 24.061 12.196
407 HA2 GLY 50 HA2 GLY 50 20.408 24.717 14.229
408 HA3 GLY 50 HA3 GLY 50 20.691 26.378 13.730
409 H ASP 51 H ASP 51 20.190 24.371 11.078
410 HA ASP 51 HA ASP 51 17.453 25.389 10.806
411 HB2 ASP 51 HB2 ASP 51 19.281 25.809 9.044
412 HB3 ASP 51 HB3 ASP 51 19.074 24.114 8.612
413 H LYS 52 H LYS 52 15.832 23.984 9.816
414 HA LYS 52 HA LYS 52 16.193 21.185 10.657
415 HB2 LYS 52 HB2 LYS 52 13.752 22.948 10.574
416 HB3 LYS 52 HB3 LYS 52 13.633 21.198 10.700
417 HG2 LYS 52 HG2 LYS 52 15.034 21.323 12.757
418 HG3 LYS 52 HG3 LYS 52 14.925 23.082 12.657
419 HD2 LYS 52 HD2 LYS 52 12.424 21.452 12.603
420 HD3 LYS 52 HD3 LYS 52 13.244 21.728 14.141
421 HE2 LYS 52 HE2 LYS 52 13.055 24.102 13.887
422 HE3 LYS 52 HE3 LYS 52 12.450 23.928 12.240
423 HZ1 LYS 52 HZ1 LYS 52 10.657 24.385 13.780
424 HZ2 LYS 52 HZ2 LYS 52 11.058 23.028 14.705
425 HZ3 LYS 52 HZ3 LYS 52 10.479 22.834 13.127
426 H VAL 53 H VAL 53 16.179 19.671 9.134
427 HA VAL 53 HA VAL 53 14.726 20.153 6.634
428 HB VAL 53 HB VAL 53 16.553 19.400 5.257
429 HG11 VAL 53 HG11 VAL 53 17.630 21.385 5.192
430 HG12 VAL 53 HG12 VAL 53 16.419 21.833 6.396
431 HG13 VAL 53 HG13 VAL 53 18.036 21.344 6.908
432 HG21 VAL 53 HG21 VAL 53 17.786 17.843 6.401
433 HG22 VAL 53 HG22 VAL 53 18.857 19.239 6.519
434 HG23 VAL 53 HG23 VAL 53 17.827 18.800 7.881
435 H THR 54 H THR 54 14.580 18.123 5.304
436 HA THR 54 HA THR 54 14.043 15.870 7.097
437 HB THR 54 HB THR 54 13.199 16.083 4.210
438 HG1 THR 54 HG1 THR 54 11.140 16.775 5.258
439 HG21 THR 54 HG21 THR 54 11.522 14.470 4.825
440 HG22 THR 54 HG22 THR 54 11.983 14.573 6.524
441 HG23 THR 54 HG23 THR 54 13.094 13.868 5.350
442 H VAL 55 H VAL 55 14.827 13.804 6.719
443 HA VAL 55 HA VAL 55 16.768 13.456 4.551
444 HB VAL 55 HB VAL 55 18.247 12.220 6.244
445 HG11 VAL 55 HG11 VAL 55 19.582 14.083 6.478
446 HG12 VAL 55 HG12 VAL 55 18.527 14.576 5.152
447 HG13 VAL 55 HG13 VAL 55 18.216 15.154 6.790
448 HG21 VAL 55 HG21 VAL 55 18.116 13.017 8.550
449 HG22 VAL 55 HG22 VAL 55 16.671 13.946 8.153
450 HG23 VAL 55 HG23 VAL 55 16.633 12.185 8.081
451 H GLU 56 H GLU 56 16.761 11.463 3.656
452 HA GLU 56 HA GLU 56 14.861 9.526 4.767
453 HB2 GLU 56 HB2 GLU 56 15.448 10.426 2.123
454 HB3 GLU 56 HB3 GLU 56 15.819 8.710 2.214
455 HG2 GLU 56 HG2 GLU 56 13.598 8.193 2.915
456 HG3 GLU 56 HG3 GLU 56 13.203 9.901 3.095
457 H LEU 57 H LEU 57 15.704 7.972 5.977
458 HA LEU 57 HA LEU 57 18.383 6.951 5.298
459 HB2 LEU 57 HB2 LEU 57 18.676 6.369 7.607
460 HB3 LEU 57 HB3 LEU 57 18.221 8.068 7.488
461 HG LEU 57 HG LEU 57 15.805 7.069 7.936
462 HD11 LEU 57 HD11 LEU 57 17.109 5.259 9.807
463 HD12 LEU 57 HD12 LEU 57 17.291 4.769 8.123
464 HD13 LEU 57 HD13 LEU 57 15.681 5.017 8.800
465 HD21 LEU 57 HD21 LEU 57 17.559 8.566 9.333
466 HD22 LEU 57 HD22 LEU 57 17.427 7.163 10.394
467 HD23 LEU 57 HD23 LEU 57 15.981 8.071 9.947
468 H THR 58 H THR 58 18.760 4.668 5.662
469 HA THR 58 HA THR 58 16.362 3.086 5.063
470 HB THR 58 HB THR 58 18.317 1.322 4.608
471 HG1 THR 58 HG1 THR 58 19.897 2.992 5.247
472 HG21 THR 58 HG21 THR 58 17.793 3.500 2.596
473 HG22 THR 58 HG22 THR 58 16.572 2.305 3.033
474 HG23 THR 58 HG23 THR 58 18.091 1.787 2.304
475 HA PRO 59 HA PRO 59 16.430 0.878 8.855
476 HB2 PRO 59 HB2 PRO 59 15.799 -1.641 8.063
477 HB3 PRO 59 HB3 PRO 59 14.628 -0.317 8.076
478 HG2 PRO 59 HG2 PRO 59 16.194 -1.437 5.784
479 HG3 PRO 59 HG3 PRO 59 14.488 -0.959 5.846
480 HD2 PRO 59 HD2 PRO 59 16.405 0.618 4.764
481 HD3 PRO 59 HD3 PRO 59 14.975 1.278 5.584
482 H TYR 60 H TYR 60 18.026 -0.998 6.271
483 HA TYR 60 HA TYR 60 19.712 -2.414 8.082
484 HB2 TYR 60 HB2 TYR 60 19.995 -2.045 5.093
485 HB3 TYR 60 HB3 TYR 60 20.832 -3.247 6.068
486 HD1 TYR 60 HD2 TYR 60 19.541 -5.105 7.107
487 HD2 TYR 60 HD1 TYR 60 17.758 -2.393 4.356
488 HE1 TYR 60 HE2 TYR 60 17.685 -6.683 6.763
489 HE2 TYR 60 HE1 TYR 60 15.897 -3.962 4.006
490 HH TYR 60 HH TYR 60 15.177 -6.074 4.358
491 H ASP 61 H ASP 61 20.171 0.366 5.939
492 HA ASP 61 HA ASP 61 22.846 0.773 7.082
493 HB2 ASP 61 HB2 ASP 61 21.757 2.358 4.780
494 HB3 ASP 61 HB3 ASP 61 23.430 1.964 5.164
495 H LEU 62 H LEU 62 22.168 1.656 9.065
496 HA LEU 62 HA LEU 62 20.590 4.103 9.014
497 HB2 LEU 62 HB2 LEU 62 21.753 2.535 11.311
498 HB3 LEU 62 HB3 LEU 62 20.730 3.962 11.474
499 HG LEU 62 HG LEU 62 19.722 1.553 10.012
500 HD11 LEU 62 HD11 LEU 62 18.667 1.068 12.371
501 HD12 LEU 62 HD12 LEU 62 20.140 1.851 12.942
502 HD13 LEU 62 HD13 LEU 62 20.244 0.415 11.925
503 HD21 LEU 62 HD21 LEU 62 18.379 3.680 11.677
504 HD22 LEU 62 HD22 LEU 62 17.572 2.395 10.779
505 HD23 LEU 62 HD23 LEU 62 18.459 3.652 9.916
506 H SER 63 H SER 63 23.563 3.633 8.171
507 HA SER 63 HA SER 63 24.636 5.942 9.657
508 HB2 SER 63 HB2 SER 63 25.964 3.426 8.701
509 HB3 SER 63 HB3 SER 63 26.909 4.904 8.883
510 HG SER 63 HG SER 63 26.654 3.356 10.760
511 H ARG 64 H ARG 64 23.041 5.775 7.133
512 HA ARG 64 HA ARG 64 24.478 7.726 5.659
513 HB2 ARG 64 HB2 ARG 64 24.724 6.446 3.551
514 HB3 ARG 64 HB3 ARG 64 25.752 5.841 4.842
515 HG2 ARG 64 HG2 ARG 64 23.715 4.219 5.242
516 HG3 ARG 64 HG3 ARG 64 23.394 4.588 3.547
517 HD2 ARG 64 HD2 ARG 64 25.981 3.515 4.667
518 HD3 ARG 64 HD3 ARG 64 24.772 2.581 3.787
519 HE ARG 64 HE ARG 64 25.549 4.748 2.196
520 HH11 ARG 64 HH11 ARG 64 26.863 1.794 3.487
521 HH12 ARG 64 HH12 ARG 64 27.980 1.567 2.183
522 HH21 ARG 64 HH21 ARG 64 27.016 4.461 0.473
523 HH22 ARG 64 HH22 ARG 64 28.068 3.085 0.470
524 H ALA 65 H ALA 65 22.902 9.046 5.065
525 HA ALA 65 HA ALA 65 20.457 7.905 3.901
526 HB1 ALA 65 HB1 ALA 65 19.271 9.880 5.107
527 HB2 ALA 65 HB2 ALA 65 19.624 8.398 5.996
528 HB3 ALA 65 HB3 ALA 65 20.660 9.812 6.192
529 H ARG 66 H ARG 66 19.110 9.732 2.870
530 HA ARG 66 HA ARG 66 20.956 11.370 1.285
531 HB2 ARG 66 HB2 ARG 66 19.149 11.509 -0.360
532 HB3 ARG 66 HB3 ARG 66 19.523 9.835 0.027
533 HG2 ARG 66 HG2 ARG 66 17.579 9.707 1.472
534 HG3 ARG 66 HG3 ARG 66 17.220 11.407 1.163
535 HD2 ARG 66 HD2 ARG 66 15.812 10.383 -0.336
536 HD3 ARG 66 HD3 ARG 66 17.238 10.645 -1.339
537 HE ARG 66 HE ARG 66 17.562 8.151 -0.228
538 HH11 ARG 66 HH11 ARG 66 15.203 9.724 -2.248
539 HH12 ARG 66 HH12 ARG 66 14.740 8.268 -3.066
540 HH21 ARG 66 HH21 ARG 66 16.962 6.227 -1.297
541 HH22 ARG 66 HH22 ARG 66 15.741 6.280 -2.523
542 H ILE 67 H ILE 67 20.905 13.539 1.330
543 HA ILE 67 HA ILE 67 19.357 14.852 3.352
544 HB ILE 67 HB ILE 67 21.154 16.015 1.220
545 HG12 ILE 67 HG12 ILE 67 22.260 14.493 2.857
546 HG13 ILE 67 HG13 ILE 67 22.832 16.155 2.955
547 HG21 ILE 67 HG21 ILE 67 19.601 17.691 1.963
548 HG22 ILE 67 HG22 ILE 67 19.900 17.279 3.651
549 HG23 ILE 67 HG23 ILE 67 21.175 18.020 2.684
550 HD11 ILE 67 HD11 ILE 67 22.134 16.385 5.059
551 HD12 ILE 67 HD12 ILE 67 20.603 15.567 4.744
552 HD13 ILE 67 HD13 ILE 67 22.058 14.624 5.066
553 H VAL 68 H VAL 68 17.457 15.847 3.163
554 HA VAL 68 HA VAL 68 16.402 16.322 0.450
555 HB VAL 68 HB VAL 68 14.637 15.956 2.850
556 HG11 VAL 68 HG11 VAL 68 14.308 15.739 -0.128
557 HG12 VAL 68 HG12 VAL 68 13.125 15.071 0.998
558 HG13 VAL 68 HG13 VAL 68 13.465 16.802 0.999
559 HG21 VAL 68 HG21 VAL 68 14.501 13.535 1.660
560 HG22 VAL 68 HG22 VAL 68 16.212 13.902 1.445
561 HG23 VAL 68 HG23 VAL 68 15.510 13.887 3.063
562 H PHE 69 H PHE 69 14.802 18.091 0.300
563 HA PHE 69 HA PHE 69 15.810 20.525 1.089
564 HB2 PHE 69 HB2 PHE 69 12.881 19.948 0.610
565 HB3 PHE 69 HB3 PHE 69 13.696 21.497 0.426
566 HD1 PHE 69 HD1 PHE 69 16.094 20.829 -1.051
567 HD2 PHE 69 HD2 PHE 69 12.137 19.319 -1.477
568 HE1 PHE 69 HE1 PHE 69 16.550 20.309 -3.412
569 HE2 PHE 69 HE2 PHE 69 12.588 18.795 -3.838
570 HZ PHE 69 HZ PHE 69 14.797 19.290 -4.809
571 H ARG 70 H ARG 70 14.757 22.172 2.512
572 HA ARG 70 HA ARG 70 14.875 21.469 5.168
573 HB2 ARG 70 HB2 ARG 70 13.596 23.597 5.597
574 HB3 ARG 70 HB3 ARG 70 15.014 23.771 4.571
575 HG2 ARG 70 HG2 ARG 70 13.698 23.991 2.623
576 HG3 ARG 70 HG3 ARG 70 12.240 23.459 3.464
577 HD2 ARG 70 HD2 ARG 70 13.727 25.919 4.320
578 HD3 ARG 70 HD3 ARG 70 12.547 25.974 3.011
579 HE ARG 70 HE ARG 70 12.003 25.781 5.812
580 HH11 ARG 70 HH11 ARG 70 10.819 24.965 2.641
581 HH12 ARG 70 HH12 ARG 70 9.160 24.897 3.136
582 HH21 ARG 70 HH21 ARG 70 9.823 25.695 6.475
583 HH22 ARG 70 HH22 ARG 70 8.594 25.314 5.317
584 H ALA 71 H ALA 71 13.181 21.443 6.822
585 HA ALA 71 HA ALA 71 10.858 19.918 5.886
586 HB1 ALA 71 HB1 ALA 71 10.638 19.391 8.374
587 HB2 ALA 71 HB2 ALA 71 12.015 18.696 7.516
588 HB3 ALA 71 HB3 ALA 71 12.239 20.112 8.544
589 H LYS 72 H LYS 72 8.948 20.217 7.611
590 HA LYS 72 HA LYS 72 8.021 22.902 7.203
591 HB2 LYS 72 HB2 LYS 72 6.710 20.712 8.819
592 HB3 LYS 72 HB3 LYS 72 5.936 22.139 8.142
593 HG2 LYS 72 HG2 LYS 72 7.241 20.030 6.446
594 HG3 LYS 72 HG3 LYS 72 5.541 19.979 6.917
595 HD2 LYS 72 HD2 LYS 72 5.044 21.946 5.721
596 HD3 LYS 72 HD3 LYS 72 6.749 22.371 5.554
597 HE2 LYS 72 HE2 LYS 72 6.884 20.103 4.264
598 HE3 LYS 72 HE3 LYS 72 5.145 20.324 4.083
599 HZ1 LYS 72 HZ1 LYS 72 6.500 22.726 3.465
600 HZ2 LYS 72 HZ2 LYS 72 5.493 21.791 2.479
601 HZ3 LYS 72 HZ3 LYS 72 7.151 21.458 2.552
Start of MODEL 3
1 H1 MET 1 H MET 1 16.234 -10.442 -6.782
2 HA MET 1 HA MET 1 13.445 -10.356 -6.097
3 HB2 MET 1 HB2 MET 1 15.466 -11.051 -3.959
4 HB3 MET 1 HB3 MET 1 13.784 -10.631 -3.665
5 HG2 MET 1 HG2 MET 1 13.611 -12.887 -3.614
6 HG3 MET 1 HG3 MET 1 13.365 -12.627 -5.339
7 HE1 MET 1 HE1 MET 1 14.908 -15.632 -6.006
8 HE2 MET 1 HE2 MET 1 15.033 -15.862 -4.261
9 HE3 MET 1 HE3 MET 1 13.610 -15.076 -4.948
10 H ALA 2 H ALA 2 12.874 -8.461 -4.899
11 HA ALA 2 HA ALA 2 14.986 -6.502 -4.431
12 HB1 ALA 2 HB1 ALA 2 12.704 -6.074 -6.348
13 HB2 ALA 2 HB2 ALA 2 13.687 -4.766 -5.688
14 HB3 ALA 2 HB3 ALA 2 14.432 -6.009 -6.694
15 H LYS 3 H LYS 3 13.690 -4.317 -3.761
16 HA LYS 3 HA LYS 3 11.266 -4.606 -2.360
17 HB2 LYS 3 HB2 LYS 3 12.283 -4.384 -0.028
18 HB3 LYS 3 HB3 LYS 3 12.334 -5.977 -0.770
19 HG2 LYS 3 HG2 LYS 3 14.673 -5.522 -1.463
20 HG3 LYS 3 HG3 LYS 3 14.598 -4.005 -0.563
21 HD2 LYS 3 HD2 LYS 3 15.520 -5.365 1.030
22 HD3 LYS 3 HD3 LYS 3 13.807 -5.601 1.385
23 HE2 LYS 3 HE2 LYS 3 14.807 -7.753 1.357
24 HE3 LYS 3 HE3 LYS 3 13.877 -7.603 -0.133
25 HZ1 LYS 3 HZ1 LYS 3 15.709 -7.765 -1.373
26 HZ2 LYS 3 HZ2 LYS 3 16.456 -8.378 0.015
27 HZ3 LYS 3 HZ3 LYS 3 16.613 -6.740 -0.376
28 H ASP 4 H ASP 4 10.609 -2.673 -1.315
29 HA ASP 4 HA ASP 4 12.404 -0.375 -1.719
30 HB2 ASP 4 HB2 ASP 4 9.556 -0.727 -2.587
31 HB3 ASP 4 HB3 ASP 4 10.152 0.880 -2.181
32 H ASP 5 H ASP 5 12.847 0.498 0.184
33 HA ASP 5 HA ASP 5 10.673 0.867 2.116
34 HB2 ASP 5 HB2 ASP 5 13.396 -0.284 2.754
35 HB3 ASP 5 HB3 ASP 5 12.233 0.248 3.964
36 H VAL 6 H VAL 6 10.829 3.029 1.126
37 HA VAL 6 HA VAL 6 12.958 4.611 2.409
38 HB VAL 6 HB VAL 6 12.878 6.183 0.520
39 HG11 VAL 6 HG11 VAL 6 13.389 3.525 -0.729
40 HG12 VAL 6 HG12 VAL 6 14.347 5.005 -0.795
41 HG13 VAL 6 HG13 VAL 6 14.349 4.016 0.666
42 HG21 VAL 6 HG21 VAL 6 11.722 4.651 -1.522
43 HG22 VAL 6 HG22 VAL 6 10.572 4.616 -0.185
44 HG23 VAL 6 HG23 VAL 6 11.117 6.160 -0.839
45 H ILE 7 H ILE 7 12.329 6.375 3.527
46 HA ILE 7 HA ILE 7 9.681 7.505 3.137
47 HB ILE 7 HB ILE 7 9.075 7.340 5.515
48 HG12 ILE 7 HG12 ILE 7 10.557 5.241 6.515
49 HG13 ILE 7 HG13 ILE 7 11.769 6.201 5.673
50 HG21 ILE 7 HG21 ILE 7 8.379 5.030 5.496
51 HG22 ILE 7 HG22 ILE 7 8.260 5.691 3.866
52 HG23 ILE 7 HG23 ILE 7 9.607 4.636 4.293
53 HD11 ILE 7 HD11 ILE 7 11.816 7.666 7.325
54 HD12 ILE 7 HD12 ILE 7 10.072 7.910 7.222
55 HD13 ILE 7 HD13 ILE 7 10.724 6.618 8.230
56 H GLN 8 H GLN 8 9.646 9.644 3.520
57 HA GLN 8 HA GLN 8 12.115 10.941 4.247
58 HB2 GLN 8 HB2 GLN 8 10.910 13.025 3.744
59 HB3 GLN 8 HB3 GLN 8 10.764 11.856 2.439
60 HG2 GLN 8 HG2 GLN 8 8.555 11.252 3.832
61 HG3 GLN 8 HG3 GLN 8 8.709 12.961 4.236
62 HE21 GLN 8 HE21 GLN 8 8.812 10.774 1.449
63 HE22 GLN 8 HE22 GLN 8 8.013 11.849 0.357
64 H MET 9 H MET 9 12.681 11.526 6.229
65 HA MET 9 HA MET 9 10.582 11.723 8.283
66 HB2 MET 9 HB2 MET 9 12.669 10.063 8.357
67 HB3 MET 9 HB3 MET 9 13.450 11.483 9.040
68 HG2 MET 9 HG2 MET 9 12.644 10.157 10.836
69 HG3 MET 9 HG3 MET 9 11.628 11.593 10.727
70 HE1 MET 9 HE1 MET 9 10.878 7.282 10.160
71 HE2 MET 9 HE2 MET 9 12.110 8.193 11.032
72 HE3 MET 9 HE3 MET 9 10.534 7.909 11.772
73 H GLN 10 H GLN 10 10.994 13.303 10.033
74 HA GLN 10 HA GLN 10 12.103 15.777 8.903
75 HB2 GLN 10 HB2 GLN 10 10.235 15.511 11.260
76 HB3 GLN 10 HB3 GLN 10 10.654 16.982 10.392
77 HG2 GLN 10 HG2 GLN 10 9.259 14.682 9.065
78 HG3 GLN 10 HG3 GLN 10 8.387 15.958 9.912
79 HE21 GLN 10 HE21 GLN 10 10.036 15.050 7.063
80 HE22 GLN 10 HE22 GLN 10 9.841 16.535 6.202
81 H GLY 11 H GLY 11 14.123 16.162 9.539
82 HA2 GLY 11 HA2 GLY 11 14.758 15.773 12.397
83 HA3 GLY 11 HA3 GLY 11 15.883 15.287 11.138
84 H GLU 12 H GLU 12 17.052 16.857 12.788
85 HA GLU 12 HA GLU 12 17.008 19.518 11.528
86 HB2 GLU 12 HB2 GLU 12 16.093 19.947 13.643
87 HB3 GLU 12 HB3 GLU 12 17.158 18.797 14.439
88 HG2 GLU 12 HG2 GLU 12 19.042 20.266 14.146
89 HG3 GLU 12 HG3 GLU 12 18.060 21.391 13.209
90 H VAL 13 H VAL 13 18.952 20.394 10.999
91 HA VAL 13 HA VAL 13 21.169 18.722 10.645
92 HB VAL 13 HB VAL 13 21.020 21.738 10.645
93 HG11 VAL 13 HG11 VAL 13 23.239 19.889 9.791
94 HG12 VAL 13 HG12 VAL 13 23.141 21.588 9.325
95 HG13 VAL 13 HG13 VAL 13 23.301 21.147 11.025
96 HG21 VAL 13 HG21 VAL 13 20.991 21.490 8.212
97 HG22 VAL 13 HG22 VAL 13 21.016 19.736 8.387
98 HG23 VAL 13 HG23 VAL 13 19.625 20.658 8.955
99 H ILE 14 H ILE 14 22.971 18.320 11.812
100 HA ILE 14 HA ILE 14 23.127 19.551 14.483
101 HB ILE 14 HB ILE 14 22.749 17.165 14.620
102 HG12 ILE 14 HG12 ILE 14 24.715 16.517 15.952
103 HG13 ILE 14 HG13 ILE 14 25.628 17.851 15.257
104 HG21 ILE 14 HG21 ILE 14 23.574 15.724 13.148
105 HG22 ILE 14 HG22 ILE 14 24.374 17.067 12.333
106 HG23 ILE 14 HG23 ILE 14 25.225 16.162 13.585
107 HD11 ILE 14 HD11 ILE 14 24.411 19.448 16.424
108 HD12 ILE 14 HD12 ILE 14 23.085 18.332 16.756
109 HD13 ILE 14 HD13 ILE 14 24.627 18.143 17.590
110 H GLU 15 H GLU 15 24.882 18.793 11.562
111 HA GLU 15 HA GLU 15 26.941 20.687 12.287
112 HB2 GLU 15 HB2 GLU 15 27.551 18.292 13.148
113 HB3 GLU 15 HB3 GLU 15 27.916 17.979 11.457
114 HG2 GLU 15 HG2 GLU 15 29.929 18.595 12.594
115 HG3 GLU 15 HG3 GLU 15 29.484 19.882 11.476
116 H ASN 16 H ASN 16 28.231 21.349 10.501
117 HA ASN 16 HA ASN 16 27.127 20.550 7.887
118 HB2 ASN 16 HB2 ASN 16 27.734 22.884 7.143
119 HB3 ASN 16 HB3 ASN 16 26.424 22.795 8.316
120 HD21 ASN 16 HD21 ASN 16 26.938 23.247 10.546
121 HD22 ASN 16 HD22 ASN 16 28.219 24.345 10.917
122 H LEU 17 H LEU 17 28.554 19.421 6.757
123 HA LEU 17 HA LEU 17 31.404 20.140 6.973
124 HB2 LEU 17 HB2 LEU 17 32.032 17.920 6.847
125 HB3 LEU 17 HB3 LEU 17 30.600 17.867 7.874
126 HG LEU 17 HG LEU 17 29.678 17.482 5.252
127 HD11 LEU 17 HD11 LEU 17 32.071 17.008 4.696
128 HD12 LEU 17 HD12 LEU 17 30.962 15.671 4.391
129 HD13 LEU 17 HD13 LEU 17 31.999 15.649 5.818
130 HD21 LEU 17 HD21 LEU 17 29.235 15.172 6.127
131 HD22 LEU 17 HD22 LEU 17 28.638 16.484 7.144
132 HD23 LEU 17 HD23 LEU 17 30.117 15.628 7.584
133 HA PRO 18 HA PRO 18 31.515 20.870 2.647
134 HB2 PRO 18 HB2 PRO 18 34.012 20.013 2.016
135 HB3 PRO 18 HB3 PRO 18 33.707 21.500 2.923
136 HG2 PRO 18 HG2 PRO 18 34.494 18.793 3.932
137 HG3 PRO 18 HG3 PRO 18 35.094 20.387 4.422
138 HD2 PRO 18 HD2 PRO 18 33.255 19.017 5.862
139 HD3 PRO 18 HD3 PRO 18 33.279 20.791 5.785
140 H ASN 19 H ASN 19 32.734 19.564 0.621
141 HA ASN 19 HA ASN 19 32.570 17.815 -0.827
142 HB2 ASN 19 HB2 ASN 19 31.927 16.036 1.523
143 HB3 ASN 19 HB3 ASN 19 32.685 15.590 -0.003
144 HD21 ASN 19 HD21 ASN 19 33.369 15.736 3.058
145 HD22 ASN 19 HD22 ASN 19 35.005 16.290 3.034
146 H ALA 20 H ALA 20 30.244 19.412 0.014
147 HA ALA 20 HA ALA 20 27.991 19.508 -0.304
148 HB1 ALA 20 HB1 ALA 20 27.744 17.137 -1.969
149 HB2 ALA 20 HB2 ALA 20 27.434 18.831 -2.355
150 HB3 ALA 20 HB3 ALA 20 29.072 18.187 -2.466
151 H THR 21 H THR 21 29.032 17.862 1.894
152 HA THR 21 HA THR 21 26.850 15.901 2.154
153 HB THR 21 HB THR 21 28.921 15.729 4.197
154 HG1 THR 21 HG1 THR 21 29.636 15.467 1.453
155 HG21 THR 21 HG21 THR 21 27.543 13.894 2.269
156 HG22 THR 21 HG22 THR 21 27.506 13.891 4.032
157 HG23 THR 21 HG23 THR 21 28.948 13.341 3.179
158 H PHE 22 H PHE 22 25.867 15.674 4.278
159 HA PHE 22 HA PHE 22 26.197 17.831 6.174
160 HB2 PHE 22 HB2 PHE 22 23.901 17.693 4.295
161 HB3 PHE 22 HB3 PHE 22 23.533 18.086 5.971
162 HD1 PHE 22 HD2 PHE 22 24.659 20.068 7.026
163 HD2 PHE 22 HD1 PHE 22 24.815 19.289 2.844
164 HE1 PHE 22 HE2 PHE 22 25.300 22.408 6.617
165 HE2 PHE 22 HE1 PHE 22 25.456 21.628 2.429
166 HZ PHE 22 HZ PHE 22 25.698 23.191 4.316
167 H ARG 23 H ARG 23 25.056 17.471 8.162
168 HA ARG 23 HA ARG 23 24.129 14.693 8.488
169 HB2 ARG 23 HB2 ARG 23 26.094 16.285 10.029
170 HB3 ARG 23 HB3 ARG 23 24.988 15.297 10.972
171 HG2 ARG 23 HG2 ARG 23 25.695 13.406 9.342
172 HG3 ARG 23 HG3 ARG 23 27.076 14.454 9.015
173 HD2 ARG 23 HD2 ARG 23 27.092 14.528 11.692
174 HD3 ARG 23 HD3 ARG 23 26.368 12.938 11.455
175 HE ARG 23 HE ARG 23 28.398 12.162 10.742
176 HH11 ARG 23 HH11 ARG 23 28.425 15.643 10.679
177 HH12 ARG 23 HH12 ARG 23 30.118 15.753 10.327
178 HH21 ARG 23 HH21 ARG 23 30.628 12.295 10.278
179 HH22 ARG 23 HH22 ARG 23 31.370 13.848 10.098
180 H VAL 24 H VAL 24 22.190 14.411 9.407
181 HA VAL 24 HA VAL 24 20.994 16.637 10.906
182 HB VAL 24 HB VAL 24 19.622 15.071 8.717
183 HG11 VAL 24 HG11 VAL 24 18.573 16.546 11.008
184 HG12 VAL 24 HG12 VAL 24 17.916 17.083 9.460
185 HG13 VAL 24 HG13 VAL 24 17.776 15.391 9.941
186 HG21 VAL 24 HG21 VAL 24 19.897 18.048 8.838
187 HG22 VAL 24 HG22 VAL 24 21.208 17.056 8.201
188 HG23 VAL 24 HG23 VAL 24 19.617 17.008 7.442
189 H LYS 25 H LYS 25 19.805 16.058 12.655
190 HA LYS 25 HA LYS 25 19.878 13.247 13.413
191 HB2 LYS 25 HB2 LYS 25 18.844 15.528 15.089
192 HB3 LYS 25 HB3 LYS 25 19.446 13.967 15.632
193 HG2 LYS 25 HG2 LYS 25 21.625 14.927 14.350
194 HG3 LYS 25 HG3 LYS 25 20.900 16.422 14.946
195 HD2 LYS 25 HD2 LYS 25 21.163 14.095 16.795
196 HD3 LYS 25 HD3 LYS 25 22.591 15.065 16.427
197 HE2 LYS 25 HE2 LYS 25 21.077 17.080 17.006
198 HE3 LYS 25 HE3 LYS 25 20.050 15.880 17.790
199 HZ1 LYS 25 HZ1 LYS 25 22.621 16.923 18.604
200 HZ2 LYS 25 HZ2 LYS 25 22.464 15.247 18.762
201 HZ3 LYS 25 HZ3 LYS 25 21.369 16.275 19.539
202 H LEU 26 H LEU 26 18.174 11.930 13.359
203 HA LEU 26 HA LEU 26 15.654 12.903 12.362
204 HB2 LEU 26 HB2 LEU 26 16.187 10.122 13.350
205 HB3 LEU 26 HB3 LEU 26 15.028 10.652 12.132
206 HG LEU 26 HG LEU 26 18.013 10.379 11.856
207 HD11 LEU 26 HD11 LEU 26 17.577 8.507 10.732
208 HD12 LEU 26 HD12 LEU 26 16.276 9.264 9.813
209 HD13 LEU 26 HD13 LEU 26 15.953 8.601 11.415
210 HD21 LEU 26 HD21 LEU 26 17.077 11.092 9.385
211 HD22 LEU 26 HD22 LEU 26 17.930 12.157 10.503
212 HD23 LEU 26 HD23 LEU 26 16.167 12.157 10.457
213 H GLU 27 H GLU 27 14.124 10.825 13.823
214 HA GLU 27 HA GLU 27 13.447 12.460 16.121
215 HB2 GLU 27 HB2 GLU 27 11.486 11.039 16.321
216 HB3 GLU 27 HB3 GLU 27 11.671 11.578 14.658
217 HG2 GLU 27 HG2 GLU 27 12.858 9.345 14.266
218 HG3 GLU 27 HG3 GLU 27 12.164 8.861 15.812
219 H ASN 28 H ASN 28 14.778 9.282 15.428
220 HA ASN 28 HA ASN 28 14.656 8.216 18.025
221 HB2 ASN 28 HB2 ASN 28 16.304 7.640 15.592
222 HB3 ASN 28 HB3 ASN 28 16.730 6.874 17.120
223 HD21 ASN 28 HD21 ASN 28 15.049 5.633 18.198
224 HD22 ASN 28 HD22 ASN 28 13.876 4.804 17.237
225 H GLY 29 H GLY 29 16.569 10.715 16.728
226 HA2 GLY 29 HA2 GLY 29 17.809 12.146 18.199
227 HA3 GLY 29 HA3 GLY 29 18.171 10.745 19.196
228 H HIS 30 H HIS 30 18.770 9.182 16.686
229 HA HIS 30 HA HIS 30 21.571 9.678 16.654
230 HB2 HIS 30 HB2 HIS 30 21.660 7.890 14.972
231 HB3 HIS 30 HB3 HIS 30 20.659 7.425 16.345
232 HD1 HIS 30 HD1 HIS 30 20.176 5.862 13.877
233 HD2 HIS 30 HD2 HIS 30 18.243 9.468 14.599
234 HE1 HIS 30 HE1 HIS 30 18.101 5.808 12.458
235 H VAL 31 H VAL 31 22.869 10.224 14.804
236 HA VAL 31 HA VAL 31 21.556 12.225 13.109
237 HB VAL 31 HB VAL 31 23.739 13.157 12.702
238 HG11 VAL 31 HG11 VAL 31 24.306 12.922 15.479
239 HG12 VAL 31 HG12 VAL 31 23.541 14.259 14.618
240 HG13 VAL 31 HG13 VAL 31 22.556 12.948 15.267
241 HG21 VAL 31 HG21 VAL 31 25.128 11.253 12.508
242 HG22 VAL 31 HG22 VAL 31 25.734 12.155 13.897
243 HG23 VAL 31 HG23 VAL 31 24.746 10.715 14.143
244 H VAL 32 H VAL 32 21.580 12.132 10.911
245 HA VAL 32 HA VAL 32 22.637 9.653 9.723
246 HB VAL 32 HB VAL 32 20.981 9.907 7.957
247 HG11 VAL 32 HG11 VAL 32 18.995 9.412 9.232
248 HG12 VAL 32 HG12 VAL 32 20.395 8.699 10.037
249 HG13 VAL 32 HG13 VAL 32 19.678 10.185 10.662
250 HG21 VAL 32 HG21 VAL 32 20.825 12.582 8.977
251 HG22 VAL 32 HG22 VAL 32 20.162 11.919 7.483
252 HG23 VAL 32 HG23 VAL 32 19.221 11.847 8.973
253 H LEU 33 H LEU 33 23.914 9.731 7.918
254 HA LEU 33 HA LEU 33 24.930 12.387 7.189
255 HB2 LEU 33 HB2 LEU 33 26.170 9.707 6.604
256 HB3 LEU 33 HB3 LEU 33 26.920 11.292 6.428
257 HG LEU 33 HG LEU 33 26.475 11.410 9.028
258 HD11 LEU 33 HD11 LEU 33 27.200 8.661 9.296
259 HD12 LEU 33 HD12 LEU 33 25.666 8.779 8.435
260 HD13 LEU 33 HD13 LEU 33 25.847 9.532 10.019
261 HD21 LEU 33 HD21 LEU 33 28.708 9.841 7.742
262 HD22 LEU 33 HD22 LEU 33 28.736 10.499 9.379
263 HD23 LEU 33 HD23 LEU 33 28.657 11.586 7.992
264 H GLY 34 H GLY 34 24.352 13.234 5.305
265 HA2 GLY 34 HA2 GLY 34 23.946 11.485 2.998
266 HA3 GLY 34 HA3 GLY 34 22.585 12.478 3.498
267 H HIS 35 H HIS 35 22.725 13.419 1.360
268 HA HIS 35 HA HIS 35 24.343 15.804 1.378
269 HB2 HIS 35 HB2 HIS 35 25.280 15.336 -0.920
270 HB3 HIS 35 HB3 HIS 35 25.978 14.377 0.382
271 HD1 HIS 35 HD1 HIS 35 23.902 14.100 -2.701
272 HD2 HIS 35 HD2 HIS 35 25.389 11.628 0.289
273 HE1 HIS 35 HE1 HIS 35 23.563 11.753 -3.538
274 H ILE 36 H ILE 36 23.576 17.404 -0.014
275 HA ILE 36 HA ILE 36 20.850 16.969 -0.931
276 HB ILE 36 HB ILE 36 21.277 18.973 0.374
277 HG12 ILE 36 HG12 ILE 36 20.360 20.661 -1.207
278 HG13 ILE 36 HG13 ILE 36 20.707 19.564 -2.539
279 HG21 ILE 36 HG21 ILE 36 22.674 20.665 -1.355
280 HG22 ILE 36 HG22 ILE 36 23.237 19.998 0.177
281 HG23 ILE 36 HG23 ILE 36 23.587 19.156 -1.332
282 HD11 ILE 36 HD11 ILE 36 19.131 18.311 -0.452
283 HD12 ILE 36 HD12 ILE 36 18.350 19.734 -1.143
284 HD13 ILE 36 HD13 ILE 36 18.847 18.405 -2.190
285 H SER 37 H SER 37 20.144 17.194 -3.026
286 HA SER 37 HA SER 37 22.072 17.831 -5.117
287 HB2 SER 37 HB2 SER 37 21.419 15.154 -4.462
288 HB3 SER 37 HB3 SER 37 20.602 15.521 -5.981
289 HG SER 37 HG SER 37 23.229 15.107 -5.508
290 H GLY 38 H GLY 38 21.067 18.189 -7.212
291 HA2 GLY 38 HA2 GLY 38 18.789 18.168 -8.338
292 HA3 GLY 38 HA3 GLY 38 18.256 19.035 -6.905
293 H LYS 39 H LYS 39 17.576 20.544 -8.697
294 HA LYS 39 HA LYS 39 19.738 22.149 -9.804
295 HB2 LYS 39 HB2 LYS 39 16.744 22.418 -10.134
296 HB3 LYS 39 HB3 LYS 39 17.961 23.320 -11.027
297 HG2 LYS 39 HG2 LYS 39 18.809 21.117 -11.889
298 HG3 LYS 39 HG3 LYS 39 17.377 20.375 -11.172
299 HD2 LYS 39 HD2 LYS 39 16.068 22.154 -12.511
300 HD3 LYS 39 HD3 LYS 39 17.559 22.331 -13.438
301 HE2 LYS 39 HE2 LYS 39 16.057 20.753 -14.519
302 HE3 LYS 39 HE3 LYS 39 17.514 19.937 -13.955
303 HZ1 LYS 39 HZ1 LYS 39 16.366 18.724 -12.471
304 HZ2 LYS 39 HZ2 LYS 39 15.054 19.045 -13.489
305 HZ3 LYS 39 HZ3 LYS 39 15.288 19.972 -12.093
306 H MET 40 H MET 40 17.550 22.181 -7.161
307 HA MET 40 HA MET 40 17.692 25.041 -6.744
308 HB2 MET 40 HB2 MET 40 15.704 23.559 -6.148
309 HB3 MET 40 HB3 MET 40 16.665 22.984 -4.794
310 HG2 MET 40 HG2 MET 40 15.281 24.672 -3.935
311 HG3 MET 40 HG3 MET 40 16.885 25.388 -4.080
312 HE1 MET 40 HE1 MET 40 16.533 28.391 -5.835
313 HE2 MET 40 HE2 MET 40 17.540 27.123 -5.135
314 HE3 MET 40 HE3 MET 40 17.221 27.140 -6.871
315 H ARG 41 H ARG 41 19.506 22.267 -5.889
316 HA ARG 41 HA ARG 41 20.675 23.374 -3.502
317 HB2 ARG 41 HB2 ARG 41 21.964 21.390 -3.387
318 HB3 ARG 41 HB3 ARG 41 20.384 20.903 -3.987
319 HG2 ARG 41 HG2 ARG 41 21.609 19.770 -5.490
320 HG3 ARG 41 HG3 ARG 41 21.652 21.328 -6.318
321 HD2 ARG 41 HD2 ARG 41 23.833 21.698 -5.800
322 HD3 ARG 41 HD3 ARG 41 23.724 20.845 -4.261
323 HE ARG 41 HE ARG 41 23.471 18.978 -6.332
324 HH11 ARG 41 HH11 ARG 41 25.851 21.112 -4.953
325 HH12 ARG 41 HH12 ARG 41 27.196 20.117 -5.404
326 HH21 ARG 41 HH21 ARG 41 25.233 17.659 -6.931
327 HH22 ARG 41 HH22 ARG 41 26.843 18.153 -6.530
328 H MET 42 H MET 42 21.270 23.543 -6.883
329 HA MET 42 HA MET 42 24.037 24.375 -6.561
330 HB2 MET 42 HB2 MET 42 22.277 24.118 -9.003
331 HB3 MET 42 HB3 MET 42 23.957 24.636 -9.050
332 HG2 MET 42 HG2 MET 42 24.761 22.549 -8.567
333 HG3 MET 42 HG3 MET 42 23.290 22.056 -7.731
334 HE1 MET 42 HE1 MET 42 24.954 20.414 -9.402
335 HE2 MET 42 HE2 MET 42 23.506 19.445 -9.676
336 HE3 MET 42 HE3 MET 42 24.445 20.035 -11.048
337 H HIS 43 H HIS 43 21.346 25.863 -5.819
338 HA HIS 43 HA HIS 43 21.869 28.393 -7.187
339 HB2 HIS 43 HB2 HIS 43 19.519 27.303 -6.745
340 HB3 HIS 43 HB3 HIS 43 19.699 28.036 -5.154
341 HD1 HIS 43 HD1 HIS 43 19.561 29.008 -8.808
342 HD2 HIS 43 HD2 HIS 43 19.118 30.708 -5.043
343 HE1 HIS 43 HE1 HIS 43 18.713 31.339 -9.219
344 H TYR 44 H TYR 44 23.630 27.204 -5.085
345 HA TYR 44 HA TYR 44 24.796 27.833 -3.232
346 HB2 TYR 44 HB2 TYR 44 23.963 30.645 -3.938
347 HB3 TYR 44 HB3 TYR 44 25.435 30.127 -3.124
348 HD1 TYR 44 HD2 TYR 44 26.929 28.455 -4.550
349 HD2 TYR 44 HD1 TYR 44 24.092 31.174 -6.181
350 HE1 TYR 44 HE2 TYR 44 28.102 28.373 -6.711
351 HE2 TYR 44 HE1 TYR 44 25.256 31.099 -8.347
352 HH TYR 44 HH TYR 44 27.822 30.534 -9.038
353 H ILE 45 H ILE 45 22.441 26.887 -2.454
354 HA ILE 45 HA ILE 45 20.820 28.667 -0.960
355 HB ILE 45 HB ILE 45 19.982 26.589 0.167
356 HG12 ILE 45 HG12 ILE 45 21.522 24.968 -1.809
357 HG13 ILE 45 HG13 ILE 45 22.344 25.481 -0.340
358 HG21 ILE 45 HG21 ILE 45 19.907 27.208 -2.694
359 HG22 ILE 45 HG22 ILE 45 19.429 25.560 -2.293
360 HG23 ILE 45 HG23 ILE 45 18.589 26.925 -1.558
361 HD11 ILE 45 HD11 ILE 45 19.784 23.905 -0.452
362 HD12 ILE 45 HD12 ILE 45 21.388 23.253 -0.118
363 HD13 ILE 45 HD13 ILE 45 20.646 24.389 1.008
364 H ARG 46 H ARG 46 20.801 29.179 1.198
365 HA ARG 46 HA ARG 46 23.334 28.907 2.578
366 HB2 ARG 46 HB2 ARG 46 20.828 30.488 3.054
367 HB3 ARG 46 HB3 ARG 46 22.023 30.311 4.332
368 HG2 ARG 46 HG2 ARG 46 23.643 31.089 2.365
369 HG3 ARG 46 HG3 ARG 46 22.149 31.849 1.813
370 HD2 ARG 46 HD2 ARG 46 23.125 33.485 3.148
371 HD3 ARG 46 HD3 ARG 46 21.954 32.724 4.224
372 HE ARG 46 HE ARG 46 24.452 31.451 4.492
373 HH11 ARG 46 HH11 ARG 46 22.843 34.444 5.251
374 HH12 ARG 46 HH12 ARG 46 23.823 34.770 6.642
375 HH21 ARG 46 HH21 ARG 46 25.750 31.869 6.321
376 HH22 ARG 46 HH22 ARG 46 25.477 33.305 7.249
377 H ILE 47 H ILE 47 23.732 27.704 4.362
378 HA ILE 47 HA ILE 47 21.494 26.263 5.602
379 HB ILE 47 HB ILE 47 24.096 24.981 4.760
380 HG12 ILE 47 HG12 ILE 47 21.314 24.282 3.828
381 HG13 ILE 47 HG13 ILE 47 22.319 25.453 2.980
382 HG21 ILE 47 HG21 ILE 47 22.535 22.928 5.491
383 HG22 ILE 47 HG22 ILE 47 23.650 23.736 6.593
384 HG23 ILE 47 HG23 ILE 47 21.938 24.162 6.601
385 HD11 ILE 47 HD11 ILE 47 22.581 23.398 1.862
386 HD12 ILE 47 HD12 ILE 47 24.058 23.642 2.796
387 HD13 ILE 47 HD13 ILE 47 22.824 22.522 3.373
388 H LEU 48 H LEU 48 21.715 25.830 7.777
389 HA LEU 48 HA LEU 48 24.219 26.483 9.112
390 HB2 LEU 48 HB2 LEU 48 21.671 28.008 9.409
391 HB3 LEU 48 HB3 LEU 48 22.735 27.819 10.801
392 HG LEU 48 HG LEU 48 23.545 29.067 8.175
393 HD11 LEU 48 HD11 LEU 48 23.626 31.053 10.017
394 HD12 LEU 48 HD12 LEU 48 22.207 30.153 10.550
395 HD13 LEU 48 HD13 LEU 48 22.288 30.776 8.902
396 HD21 LEU 48 HD21 LEU 48 25.497 29.829 9.447
397 HD22 LEU 48 HD22 LEU 48 25.404 28.068 9.385
398 HD23 LEU 48 HD23 LEU 48 24.929 28.927 10.852
399 HA PRO 49 HA PRO 49 23.103 23.244 11.852
400 HB2 PRO 49 HB2 PRO 49 24.118 24.114 14.215
401 HB3 PRO 49 HB3 PRO 49 25.133 23.549 12.883
402 HG2 PRO 49 HG2 PRO 49 24.452 26.350 13.688
403 HG3 PRO 49 HG3 PRO 49 26.015 25.679 13.189
404 HD2 PRO 49 HD2 PRO 49 24.439 27.104 11.511
405 HD3 PRO 49 HD3 PRO 49 25.488 25.786 10.948
406 H GLY 50 H GLY 50 21.326 22.640 12.949
407 HA2 GLY 50 HA2 GLY 50 19.727 22.883 14.706
408 HA3 GLY 50 HA3 GLY 50 19.946 24.624 14.621
409 H ASP 51 H ASP 51 19.805 24.379 11.596
410 HA ASP 51 HA ASP 51 17.097 25.057 11.305
411 HB2 ASP 51 HB2 ASP 51 19.193 25.501 9.768
412 HB3 ASP 51 HB3 ASP 51 18.663 24.019 8.976
413 H LYS 52 H LYS 52 15.307 23.915 10.839
414 HA LYS 52 HA LYS 52 15.442 21.040 11.024
415 HB2 LYS 52 HB2 LYS 52 13.258 23.078 10.974
416 HB3 LYS 52 HB3 LYS 52 12.860 21.408 10.594
417 HG2 LYS 52 HG2 LYS 52 12.456 21.526 12.862
418 HG3 LYS 52 HG3 LYS 52 14.089 20.858 12.799
419 HD2 LYS 52 HD2 LYS 52 14.185 22.533 14.443
420 HD3 LYS 52 HD3 LYS 52 14.900 23.269 13.008
421 HE2 LYS 52 HE2 LYS 52 13.479 24.932 13.750
422 HE3 LYS 52 HE3 LYS 52 12.485 24.106 12.551
423 HZ1 LYS 52 HZ1 LYS 52 12.046 24.417 15.345
424 HZ2 LYS 52 HZ2 LYS 52 12.015 22.783 14.909
425 HZ3 LYS 52 HZ3 LYS 52 10.979 23.882 14.146
426 H VAL 53 H VAL 53 15.537 19.667 9.376
427 HA VAL 53 HA VAL 53 14.449 20.461 6.773
428 HB VAL 53 HB VAL 53 16.392 19.672 5.569
429 HG11 VAL 53 HG11 VAL 53 17.571 21.590 5.779
430 HG12 VAL 53 HG12 VAL 53 16.230 22.034 6.837
431 HG13 VAL 53 HG13 VAL 53 17.735 21.426 7.527
432 HG21 VAL 53 HG21 VAL 53 17.139 17.934 7.077
433 HG22 VAL 53 HG22 VAL 53 18.464 19.054 6.762
434 HG23 VAL 53 HG23 VAL 53 17.585 19.135 8.288
435 H THR 54 H THR 54 14.276 18.590 5.270
436 HA THR 54 HA THR 54 13.467 16.208 6.775
437 HB THR 54 HB THR 54 12.799 16.968 3.925
438 HG1 THR 54 HG1 THR 54 11.380 18.219 4.862
439 HG21 THR 54 HG21 THR 54 11.501 14.884 5.677
440 HG22 THR 54 HG22 THR 54 12.767 14.517 4.504
441 HG23 THR 54 HG23 THR 54 11.225 15.177 3.960
442 H VAL 55 H VAL 55 14.272 14.196 6.365
443 HA VAL 55 HA VAL 55 16.219 13.881 4.197
444 HB VAL 55 HB VAL 55 17.656 12.547 5.846
445 HG11 VAL 55 HG11 VAL 55 18.015 15.245 6.792
446 HG12 VAL 55 HG12 VAL 55 19.023 14.295 5.699
447 HG13 VAL 55 HG13 VAL 55 17.666 15.226 5.064
448 HG21 VAL 55 HG21 VAL 55 16.545 14.324 7.962
449 HG22 VAL 55 HG22 VAL 55 15.711 12.814 7.596
450 HG23 VAL 55 HG23 VAL 55 17.397 12.787 8.113
451 H GLU 56 H GLU 56 16.174 11.922 3.229
452 HA GLU 56 HA GLU 56 14.211 9.996 4.247
453 HB2 GLU 56 HB2 GLU 56 14.764 11.006 1.670
454 HB3 GLU 56 HB3 GLU 56 15.245 9.316 1.652
455 HG2 GLU 56 HG2 GLU 56 12.968 8.808 2.644
456 HG3 GLU 56 HG3 GLU 56 12.542 10.471 2.244
457 H LEU 57 H LEU 57 14.970 8.338 5.368
458 HA LEU 57 HA LEU 57 17.612 7.246 4.654
459 HB2 LEU 57 HB2 LEU 57 17.552 8.374 6.853
460 HB3 LEU 57 HB3 LEU 57 16.299 7.246 7.368
461 HG LEU 57 HG LEU 57 17.953 5.393 7.025
462 HD11 LEU 57 HD11 LEU 57 20.055 7.529 7.018
463 HD12 LEU 57 HD12 LEU 57 19.401 6.879 5.515
464 HD13 LEU 57 HD13 LEU 57 20.214 5.810 6.657
465 HD21 LEU 57 HD21 LEU 57 18.111 7.518 9.077
466 HD22 LEU 57 HD22 LEU 57 19.430 6.347 9.037
467 HD23 LEU 57 HD23 LEU 57 17.767 5.797 9.247
468 H THR 58 H THR 58 17.889 4.977 4.815
469 HA THR 58 HA THR 58 15.378 3.494 4.472
470 HB THR 58 HB THR 58 17.212 1.704 3.686
471 HG1 THR 58 HG1 THR 58 18.744 3.109 2.404
472 HG21 THR 58 HG21 THR 58 16.975 3.139 1.379
473 HG22 THR 58 HG22 THR 58 15.634 3.775 2.332
474 HG23 THR 58 HG23 THR 58 15.746 2.045 2.012
475 HA PRO 59 HA PRO 59 15.892 1.109 8.120
476 HB2 PRO 59 HB2 PRO 59 15.077 -1.353 7.317
477 HB3 PRO 59 HB3 PRO 59 13.963 0.000 7.548
478 HG2 PRO 59 HG2 PRO 59 15.164 -1.053 5.017
479 HG3 PRO 59 HG3 PRO 59 13.498 -0.534 5.333
480 HD2 PRO 59 HD2 PRO 59 15.300 1.041 4.065
481 HD3 PRO 59 HD3 PRO 59 14.018 1.700 5.102
482 H TYR 60 H TYR 60 17.061 -0.682 5.263
483 HA TYR 60 HA TYR 60 18.884 -2.292 6.708
484 HB2 TYR 60 HB2 TYR 60 17.894 -2.536 4.280
485 HB3 TYR 60 HB3 TYR 60 19.334 -1.632 3.824
486 HD1 TYR 60 HD1 TYR 60 18.701 -4.381 6.283
487 HD2 TYR 60 HD2 TYR 60 20.906 -3.040 2.900
488 HE1 TYR 60 HE1 TYR 60 20.011 -6.462 6.320
489 HE2 TYR 60 HE2 TYR 60 22.222 -5.118 2.927
490 HH TYR 60 HH TYR 60 22.295 -7.213 5.521
491 H ASP 61 H ASP 61 19.254 0.727 4.898
492 HA ASP 61 HA ASP 61 22.010 0.939 5.905
493 HB2 ASP 61 HB2 ASP 61 20.885 2.710 3.760
494 HB3 ASP 61 HB3 ASP 61 22.560 2.248 4.053
495 H LEU 62 H LEU 62 21.432 1.700 7.970
496 HA LEU 62 HA LEU 62 19.926 4.182 8.159
497 HB2 LEU 62 HB2 LEU 62 19.835 2.113 9.752
498 HB3 LEU 62 HB3 LEU 62 21.258 2.857 10.481
499 HG LEU 62 HG LEU 62 19.577 4.963 10.483
500 HD11 LEU 62 HD11 LEU 62 17.359 4.284 11.074
501 HD12 LEU 62 HD12 LEU 62 17.802 2.580 10.981
502 HD13 LEU 62 HD13 LEU 62 17.763 3.561 9.516
503 HD21 LEU 62 HD21 LEU 62 20.143 2.803 12.460
504 HD22 LEU 62 HD22 LEU 62 18.969 4.056 12.863
505 HD23 LEU 62 HD23 LEU 62 20.631 4.498 12.470
506 H SER 63 H SER 63 22.870 3.665 7.172
507 HA SER 63 HA SER 63 24.046 5.890 8.708
508 HB2 SER 63 HB2 SER 63 25.214 3.715 9.046
509 HB3 SER 63 HB3 SER 63 25.542 3.656 7.314
510 HG SER 63 HG SER 63 27.319 4.593 8.112
511 H ARG 64 H ARG 64 22.363 5.909 6.261
512 HA ARG 64 HA ARG 64 23.835 7.845 4.799
513 HB2 ARG 64 HB2 ARG 64 23.907 6.642 2.631
514 HB3 ARG 64 HB3 ARG 64 24.966 5.936 3.845
515 HG2 ARG 64 HG2 ARG 64 23.128 4.273 4.308
516 HG3 ARG 64 HG3 ARG 64 22.327 4.892 2.863
517 HD2 ARG 64 HD2 ARG 64 24.715 4.451 1.805
518 HD3 ARG 64 HD3 ARG 64 24.816 3.289 3.127
519 HE ARG 64 HE ARG 64 23.403 1.945 1.954
520 HH11 ARG 64 HH11 ARG 64 22.964 5.221 0.859
521 HH12 ARG 64 HH12 ARG 64 21.837 4.792 -0.385
522 HH21 ARG 64 HH21 ARG 64 21.920 1.368 0.319
523 HH22 ARG 64 HH22 ARG 64 21.243 2.601 -0.691
524 H ALA 65 H ALA 65 22.301 9.270 4.354
525 HA ALA 65 HA ALA 65 19.752 8.312 3.250
526 HB1 ALA 65 HB1 ALA 65 20.171 9.841 5.726
527 HB2 ALA 65 HB2 ALA 65 18.908 10.458 4.661
528 HB3 ALA 65 HB3 ALA 65 18.834 8.796 5.246
529 H ARG 66 H ARG 66 18.468 10.202 2.318
530 HA ARG 66 HA ARG 66 20.327 11.869 0.779
531 HB2 ARG 66 HB2 ARG 66 18.600 12.064 -0.877
532 HB3 ARG 66 HB3 ARG 66 18.747 10.366 -0.441
533 HG2 ARG 66 HG2 ARG 66 16.826 11.077 1.273
534 HG3 ARG 66 HG3 ARG 66 16.519 12.253 -0.007
535 HD2 ARG 66 HD2 ARG 66 16.637 9.254 -0.299
536 HD3 ARG 66 HD3 ARG 66 15.194 10.263 -0.378
537 HE ARG 66 HE ARG 66 17.040 9.759 -2.483
538 HH11 ARG 66 HH11 ARG 66 14.918 12.179 -1.158
539 HH12 ARG 66 HH12 ARG 66 14.673 12.981 -2.674
540 HH21 ARG 66 HH21 ARG 66 16.726 10.806 -4.485
541 HH22 ARG 66 HH22 ARG 66 15.701 12.199 -4.566
542 H ILE 67 H ILE 67 20.358 14.025 0.968
543 HA ILE 67 HA ILE 67 18.854 15.276 3.059
544 HB ILE 67 HB ILE 67 20.750 16.417 1.008
545 HG12 ILE 67 HG12 ILE 67 21.668 14.886 2.777
546 HG13 ILE 67 HG13 ILE 67 22.336 16.514 2.807
547 HG21 ILE 67 HG21 ILE 67 20.746 18.429 2.528
548 HG22 ILE 67 HG22 ILE 67 19.288 18.193 1.567
549 HG23 ILE 67 HG23 ILE 67 19.298 17.757 3.276
550 HD11 ILE 67 HD11 ILE 67 19.993 16.146 4.515
551 HD12 ILE 67 HD12 ILE 67 21.394 15.174 4.967
552 HD13 ILE 67 HD13 ILE 67 21.537 16.928 4.850
553 H VAL 68 H VAL 68 17.017 16.405 2.934
554 HA VAL 68 HA VAL 68 15.981 17.073 0.255
555 HB VAL 68 HB VAL 68 14.172 16.558 2.591
556 HG11 VAL 68 HG11 VAL 68 12.687 15.828 0.646
557 HG12 VAL 68 HG12 VAL 68 13.041 17.550 0.792
558 HG13 VAL 68 HG13 VAL 68 13.898 16.571 -0.399
559 HG21 VAL 68 HG21 VAL 68 13.990 14.227 1.289
560 HG22 VAL 68 HG22 VAL 68 15.699 14.571 1.018
561 HG23 VAL 68 HG23 VAL 68 15.068 14.476 2.662
562 H PHE 69 H PHE 69 14.402 18.876 0.247
563 HA PHE 69 HA PHE 69 15.449 21.221 1.218
564 HB2 PHE 69 HB2 PHE 69 12.511 20.714 0.715
565 HB3 PHE 69 HB3 PHE 69 13.330 22.271 0.673
566 HD1 PHE 69 HD1 PHE 69 15.725 21.724 -0.867
567 HD2 PHE 69 HD2 PHE 69 11.753 20.298 -1.421
568 HE1 PHE 69 HE1 PHE 69 16.171 21.426 -3.268
569 HE2 PHE 69 HE2 PHE 69 12.193 19.996 -3.823
570 HZ PHE 69 HZ PHE 69 14.404 20.560 -4.749
571 H ARG 70 H ARG 70 14.452 22.765 2.783
572 HA ARG 70 HA ARG 70 14.577 21.848 5.373
573 HB2 ARG 70 HB2 ARG 70 13.520 23.958 6.040
574 HB3 ARG 70 HB3 ARG 70 14.727 24.216 4.787
575 HG2 ARG 70 HG2 ARG 70 12.641 24.014 3.198
576 HG3 ARG 70 HG3 ARG 70 11.771 24.483 4.660
577 HD2 ARG 70 HD2 ARG 70 12.214 26.543 3.762
578 HD3 ARG 70 HD3 ARG 70 13.631 26.330 4.790
579 HE ARG 70 HE ARG 70 14.013 25.375 2.111
580 HH11 ARG 70 HH11 ARG 70 14.119 28.168 4.186
581 HH12 ARG 70 HH12 ARG 70 15.250 29.026 3.193
582 HH21 ARG 70 HH21 ARG 70 15.502 26.494 0.794
583 HH22 ARG 70 HH22 ARG 70 16.036 28.073 1.263
584 H ALA 71 H ALA 71 12.897 21.729 7.038
585 HA ALA 71 HA ALA 71 10.478 20.429 5.983
586 HB1 ALA 71 HB1 ALA 71 11.478 18.832 7.295
587 HB2 ALA 71 HB2 ALA 71 12.113 20.012 8.442
588 HB3 ALA 71 HB3 ALA 71 10.399 19.595 8.463
589 H LYS 72 H LYS 72 10.729 23.295 6.188
590 HA LYS 72 HA LYS 72 9.605 24.420 8.461
591 HB2 LYS 72 HB2 LYS 72 10.533 25.493 6.250
592 HB3 LYS 72 HB3 LYS 72 8.847 25.446 5.753
593 HG2 LYS 72 HG2 LYS 72 8.204 26.824 7.613
594 HG3 LYS 72 HG3 LYS 72 9.843 26.769 8.267
595 HD2 LYS 72 HD2 LYS 72 9.671 28.852 7.178
596 HD3 LYS 72 HD3 LYS 72 10.589 27.822 6.077
597 HE2 LYS 72 HE2 LYS 72 7.617 28.013 5.819
598 HE3 LYS 72 HE3 LYS 72 8.639 29.295 5.169
599 HZ1 LYS 72 HZ1 LYS 72 8.908 28.035 3.384
600 HZ2 LYS 72 HZ2 LYS 72 8.097 26.732 4.094
601 HZ3 LYS 72 HZ3 LYS 72 9.762 26.918 4.325
Start of MODEL 4
1 H1 MET 1 H MET 1 8.272 -6.261 -11.649
2 HA MET 1 HA MET 1 9.196 -7.354 -9.766
3 HB2 MET 1 HB2 MET 1 11.562 -7.080 -11.618
4 HB3 MET 1 HB3 MET 1 11.182 -8.426 -10.552
5 HG2 MET 1 HG2 MET 1 9.029 -8.613 -11.989
6 HG3 MET 1 HG3 MET 1 9.948 -7.669 -13.159
7 HE1 MET 1 HE1 MET 1 9.346 -9.675 -14.723
8 HE2 MET 1 HE2 MET 1 10.113 -11.262 -14.659
9 HE3 MET 1 HE3 MET 1 8.800 -10.871 -13.546
10 H ALA 2 H ALA 2 9.229 -4.627 -9.124
11 HA ALA 2 HA ALA 2 11.799 -4.439 -7.699
12 HB1 ALA 2 HB1 ALA 2 11.209 -2.778 -9.717
13 HB2 ALA 2 HB2 ALA 2 10.450 -1.903 -8.386
14 HB3 ALA 2 HB3 ALA 2 12.168 -2.296 -8.317
15 H LYS 3 H LYS 3 11.465 -2.480 -5.998
16 HA LYS 3 HA LYS 3 8.866 -2.462 -4.762
17 HB2 LYS 3 HB2 LYS 3 10.196 -4.638 -4.082
18 HB3 LYS 3 HB3 LYS 3 11.030 -3.532 -2.999
19 HG2 LYS 3 HG2 LYS 3 9.187 -3.193 -1.696
20 HG3 LYS 3 HG3 LYS 3 8.059 -3.514 -3.015
21 HD2 LYS 3 HD2 LYS 3 9.134 -5.935 -2.838
22 HD3 LYS 3 HD3 LYS 3 9.438 -5.404 -1.182
23 HE2 LYS 3 HE2 LYS 3 7.355 -6.430 -1.046
24 HE3 LYS 3 HE3 LYS 3 6.958 -4.717 -1.174
25 HZ1 LYS 3 HZ1 LYS 3 7.116 -5.713 -3.762
26 HZ2 LYS 3 HZ2 LYS 3 5.732 -5.206 -2.933
27 HZ3 LYS 3 HZ3 LYS 3 6.203 -6.830 -2.878
28 H ASP 4 H ASP 4 9.014 -1.278 -2.573
29 HA ASP 4 HA ASP 4 11.201 0.678 -2.569
30 HB2 ASP 4 HB2 ASP 4 8.273 1.231 -2.834
31 HB3 ASP 4 HB3 ASP 4 9.278 2.368 -1.940
32 H ASP 5 H ASP 5 12.142 0.161 -0.683
33 HA ASP 5 HA ASP 5 10.423 0.034 1.709
34 HB2 ASP 5 HB2 ASP 5 13.093 -1.325 1.282
35 HB3 ASP 5 HB3 ASP 5 12.093 -1.434 2.729
36 H VAL 6 H VAL 6 10.819 2.476 1.355
37 HA VAL 6 HA VAL 6 13.159 3.225 2.975
38 HB VAL 6 HB VAL 6 13.222 5.384 1.659
39 HG11 VAL 6 HG11 VAL 6 14.256 4.113 -0.411
40 HG12 VAL 6 HG12 VAL 6 15.028 4.068 1.175
41 HG13 VAL 6 HG13 VAL 6 14.036 2.712 0.637
42 HG21 VAL 6 HG21 VAL 6 12.198 5.518 -0.471
43 HG22 VAL 6 HG22 VAL 6 11.710 3.824 -0.425
44 HG23 VAL 6 HG23 VAL 6 10.939 4.993 0.646
45 H ILE 7 H ILE 7 12.888 5.023 4.340
46 HA ILE 7 HA ILE 7 10.143 6.040 4.605
47 HB ILE 7 HB ILE 7 10.338 5.927 7.062
48 HG12 ILE 7 HG12 ILE 7 12.258 3.979 7.513
49 HG13 ILE 7 HG13 ILE 7 13.039 5.064 6.367
50 HG21 ILE 7 HG21 ILE 7 10.644 3.282 5.647
51 HG22 ILE 7 HG22 ILE 7 9.989 3.503 7.269
52 HG23 ILE 7 HG23 ILE 7 9.144 4.179 5.877
53 HD11 ILE 7 HD11 ILE 7 11.802 6.683 8.307
54 HD12 ILE 7 HD12 ILE 7 12.643 5.391 9.165
55 HD13 ILE 7 HD13 ILE 7 13.525 6.420 8.037
56 H GLN 8 H GLN 8 9.982 8.177 4.986
57 HA GLN 8 HA GLN 8 12.448 9.720 5.025
58 HB2 GLN 8 HB2 GLN 8 9.631 10.792 4.923
59 HB3 GLN 8 HB3 GLN 8 11.113 11.608 4.442
60 HG2 GLN 8 HG2 GLN 8 11.373 10.104 2.568
61 HG3 GLN 8 HG3 GLN 8 9.951 9.194 3.073
62 HE21 GLN 8 HE21 GLN 8 8.462 9.552 1.580
63 HE22 GLN 8 HE22 GLN 8 7.971 11.102 0.996
64 H MET 9 H MET 9 13.287 10.583 6.802
65 HA MET 9 HA MET 9 11.597 10.736 9.207
66 HB2 MET 9 HB2 MET 9 14.599 10.479 8.958
67 HB3 MET 9 HB3 MET 9 13.732 10.660 10.478
68 HG2 MET 9 HG2 MET 9 12.500 8.519 9.191
69 HG3 MET 9 HG3 MET 9 14.226 8.299 8.913
70 HE1 MET 9 HE1 MET 9 11.304 8.054 11.405
71 HE2 MET 9 HE2 MET 9 11.951 6.583 10.679
72 HE3 MET 9 HE3 MET 9 12.077 6.837 12.421
73 H GLN 10 H GLN 10 11.932 12.535 10.655
74 HA GLN 10 HA GLN 10 12.680 14.974 9.199
75 HB2 GLN 10 HB2 GLN 10 10.957 14.686 11.666
76 HB3 GLN 10 HB3 GLN 10 11.257 16.175 10.780
77 HG2 GLN 10 HG2 GLN 10 10.154 13.935 9.215
78 HG3 GLN 10 HG3 GLN 10 9.089 14.642 10.429
79 HE21 GLN 10 HE21 GLN 10 10.945 15.263 7.535
80 HE22 GLN 10 HE22 GLN 10 10.117 16.709 7.079
81 H GLY 11 H GLY 11 14.689 15.615 9.632
82 HA2 GLY 11 HA2 GLY 11 15.552 15.603 12.456
83 HA3 GLY 11 HA3 GLY 11 16.635 15.092 11.169
84 H GLU 12 H GLU 12 17.747 16.935 12.550
85 HA GLU 12 HA GLU 12 17.402 19.400 10.986
86 HB2 GLU 12 HB2 GLU 12 16.403 19.889 13.105
87 HB3 GLU 12 HB3 GLU 12 17.750 19.167 13.974
88 HG2 GLU 12 HG2 GLU 12 19.221 20.946 13.144
89 HG3 GLU 12 HG3 GLU 12 17.846 21.681 12.323
90 H VAL 13 H VAL 13 19.256 20.409 10.354
91 HA VAL 13 HA VAL 13 21.654 18.897 10.326
92 HB VAL 13 HB VAL 13 21.180 21.788 9.588
93 HG11 VAL 13 HG11 VAL 13 23.320 21.075 8.134
94 HG12 VAL 13 HG12 VAL 13 23.439 21.850 9.715
95 HG13 VAL 13 HG13 VAL 13 23.603 20.099 9.575
96 HG21 VAL 13 HG21 VAL 13 21.512 19.441 7.739
97 HG22 VAL 13 HG22 VAL 13 19.935 19.966 8.328
98 HG23 VAL 13 HG23 VAL 13 20.924 21.060 7.359
99 H ILE 14 H ILE 14 23.405 18.946 11.605
100 HA ILE 14 HA ILE 14 23.477 20.971 13.747
101 HB ILE 14 HB ILE 14 22.986 18.694 14.585
102 HG12 ILE 14 HG12 ILE 14 24.831 18.638 16.283
103 HG13 ILE 14 HG13 ILE 14 25.669 19.868 15.342
104 HG21 ILE 14 HG21 ILE 14 24.174 16.867 14.055
105 HG22 ILE 14 HG22 ILE 14 24.737 17.835 12.693
106 HG23 ILE 14 HG23 ILE 14 25.715 17.719 14.155
107 HD11 ILE 14 HD11 ILE 14 24.452 21.492 16.232
108 HD12 ILE 14 HD12 ILE 14 22.942 20.629 15.935
109 HD13 ILE 14 HD13 ILE 14 23.877 20.295 17.392
110 H GLU 15 H GLU 15 25.268 19.191 11.340
111 HA GLU 15 HA GLU 15 27.523 21.028 11.735
112 HB2 GLU 15 HB2 GLU 15 27.766 18.533 12.628
113 HB3 GLU 15 HB3 GLU 15 28.129 18.222 10.936
114 HG2 GLU 15 HG2 GLU 15 29.782 20.224 11.231
115 HG3 GLU 15 HG3 GLU 15 29.649 19.813 12.940
116 H ASN 16 H ASN 16 28.836 21.354 9.849
117 HA ASN 16 HA ASN 16 27.647 20.446 7.324
118 HB2 ASN 16 HB2 ASN 16 28.463 23.310 7.856
119 HB3 ASN 16 HB3 ASN 16 27.750 22.675 6.376
120 HD21 ASN 16 HD21 ASN 16 25.676 23.042 6.151
121 HD22 ASN 16 HD22 ASN 16 24.533 23.269 7.426
122 H LEU 17 H LEU 17 29.150 19.523 6.111
123 HA LEU 17 HA LEU 17 31.892 20.578 6.197
124 HB2 LEU 17 HB2 LEU 17 30.956 17.765 6.546
125 HB3 LEU 17 HB3 LEU 17 32.515 18.073 5.784
126 HG LEU 17 HG LEU 17 31.745 19.023 8.542
127 HD11 LEU 17 HD11 LEU 17 31.989 16.867 9.098
128 HD12 LEU 17 HD12 LEU 17 33.711 17.173 8.877
129 HD13 LEU 17 HD13 LEU 17 32.769 16.457 7.570
130 HD21 LEU 17 HD21 LEU 17 34.385 18.964 7.083
131 HD22 LEU 17 HD22 LEU 17 34.156 19.430 8.769
132 HD23 LEU 17 HD23 LEU 17 33.441 20.399 7.481
133 HA PRO 18 HA PRO 18 31.829 20.508 1.811
134 HB2 PRO 18 HB2 PRO 18 34.378 19.788 1.211
135 HB3 PRO 18 HB3 PRO 18 33.956 21.376 1.865
136 HG2 PRO 18 HG2 PRO 18 35.042 18.972 3.281
137 HG3 PRO 18 HG3 PRO 18 35.496 20.676 3.460
138 HD2 PRO 18 HD2 PRO 18 33.852 19.415 5.204
139 HD3 PRO 18 HD3 PRO 18 33.697 21.143 4.824
140 H ASN 19 H ASN 19 33.005 19.011 -0.053
141 HA ASN 19 HA ASN 19 32.926 17.043 -1.190
142 HB2 ASN 19 HB2 ASN 19 32.730 15.529 1.397
143 HB3 ASN 19 HB3 ASN 19 33.546 15.071 -0.096
144 HD21 ASN 19 HD21 ASN 19 34.267 15.584 2.882
145 HD22 ASN 19 HD22 ASN 19 35.747 16.467 2.763
146 H ALA 20 H ALA 20 30.495 18.454 -0.365
147 HA ALA 20 HA ALA 20 28.227 18.208 -0.350
148 HB1 ALA 20 HB1 ALA 20 28.720 15.659 -1.870
149 HB2 ALA 20 HB2 ALA 20 27.336 16.748 -1.981
150 HB3 ALA 20 HB3 ALA 20 28.910 17.258 -2.591
151 H THR 21 H THR 21 28.895 17.611 2.046
152 HA THR 21 HA THR 21 27.287 15.272 2.727
153 HB THR 21 HB THR 21 29.396 15.238 4.595
154 HG1 THR 21 HG1 THR 21 30.323 15.296 1.897
155 HG21 THR 21 HG21 THR 21 29.164 13.307 2.311
156 HG22 THR 21 HG22 THR 21 27.916 13.390 3.554
157 HG23 THR 21 HG23 THR 21 29.576 12.992 3.996
158 H PHE 22 H PHE 22 26.248 15.413 4.703
159 HA PHE 22 HA PHE 22 26.842 17.594 6.511
160 HB2 PHE 22 HB2 PHE 22 24.198 17.451 5.048
161 HB3 PHE 22 HB3 PHE 22 24.532 18.505 6.418
162 HD1 PHE 22 HD2 PHE 22 26.011 20.421 6.183
163 HD2 PHE 22 HD1 PHE 22 25.076 17.925 2.865
164 HE1 PHE 22 HE2 PHE 22 26.864 22.146 4.649
165 HE2 PHE 22 HE1 PHE 22 25.928 19.645 1.326
166 HZ PHE 22 HZ PHE 22 26.822 21.760 2.217
167 H ARG 23 H ARG 23 25.954 17.324 8.564
168 HA ARG 23 HA ARG 23 24.787 14.665 9.034
169 HB2 ARG 23 HB2 ARG 23 26.438 16.477 10.790
170 HB3 ARG 23 HB3 ARG 23 25.576 15.079 11.419
171 HG2 ARG 23 HG2 ARG 23 27.280 14.539 9.091
172 HG3 ARG 23 HG3 ARG 23 28.135 15.044 10.550
173 HD2 ARG 23 HD2 ARG 23 26.666 13.286 11.741
174 HD3 ARG 23 HD3 ARG 23 26.381 12.653 10.120
175 HE ARG 23 HE ARG 23 29.161 13.026 10.774
176 HH11 ARG 23 HH11 ARG 23 26.442 10.855 10.872
177 HH12 ARG 23 HH12 ARG 23 27.419 9.427 10.966
178 HH21 ARG 23 HH21 ARG 23 30.459 11.154 10.898
179 HH22 ARG 23 HH22 ARG 23 29.704 9.598 10.982
180 H VAL 24 H VAL 24 22.821 14.463 9.922
181 HA VAL 24 HA VAL 24 21.576 16.822 11.156
182 HB VAL 24 HB VAL 24 19.425 16.234 10.044
183 HG11 VAL 24 HG11 VAL 24 21.730 17.503 8.896
184 HG12 VAL 24 HG12 VAL 24 20.737 16.782 7.628
185 HG13 VAL 24 HG13 VAL 24 20.028 17.939 8.755
186 HG21 VAL 24 HG21 VAL 24 19.303 14.212 9.107
187 HG22 VAL 24 HG22 VAL 24 20.210 14.898 7.759
188 HG23 VAL 24 HG23 VAL 24 21.058 14.044 9.048
189 H LYS 25 H LYS 25 20.272 16.412 12.882
190 HA LYS 25 HA LYS 25 20.238 13.643 13.841
191 HB2 LYS 25 HB2 LYS 25 19.730 14.615 16.040
192 HB3 LYS 25 HB3 LYS 25 21.203 15.291 15.359
193 HG2 LYS 25 HG2 LYS 25 19.859 17.252 14.596
194 HG3 LYS 25 HG3 LYS 25 18.493 16.589 15.496
195 HD2 LYS 25 HD2 LYS 25 19.854 16.661 17.554
196 HD3 LYS 25 HD3 LYS 25 21.169 17.397 16.635
197 HE2 LYS 25 HE2 LYS 25 19.223 19.089 15.976
198 HE3 LYS 25 HE3 LYS 25 18.585 18.551 17.529
199 HZ1 LYS 25 HZ1 LYS 25 20.738 20.331 16.988
200 HZ2 LYS 25 HZ2 LYS 25 21.244 19.060 17.981
201 HZ3 LYS 25 HZ3 LYS 25 19.939 20.030 18.448
202 H LEU 26 H LEU 26 18.438 12.483 13.746
203 HA LEU 26 HA LEU 26 16.012 13.515 12.727
204 HB2 LEU 26 HB2 LEU 26 16.217 10.956 14.273
205 HB3 LEU 26 HB3 LEU 26 15.157 11.347 12.920
206 HG LEU 26 HG LEU 26 18.123 10.811 12.793
207 HD11 LEU 26 HD11 LEU 26 17.620 8.706 12.278
208 HD12 LEU 26 HD12 LEU 26 16.357 9.202 11.152
209 HD13 LEU 26 HD13 LEU 26 15.994 9.048 12.871
210 HD21 LEU 26 HD21 LEU 26 16.172 11.807 10.746
211 HD22 LEU 26 HD22 LEU 26 17.599 10.884 10.277
212 HD23 LEU 26 HD23 LEU 26 17.781 12.414 11.137
213 H GLU 27 H GLU 27 14.274 11.947 14.552
214 HA GLU 27 HA GLU 27 13.742 14.085 16.428
215 HB2 GLU 27 HB2 GLU 27 12.291 11.572 15.642
216 HB3 GLU 27 HB3 GLU 27 11.790 12.507 17.043
217 HG2 GLU 27 HG2 GLU 27 11.954 13.517 14.213
218 HG3 GLU 27 HG3 GLU 27 10.482 13.081 15.078
219 H ASN 28 H ASN 28 14.565 10.638 16.565
220 HA ASN 28 HA ASN 28 14.552 10.438 19.385
221 HB2 ASN 28 HB2 ASN 28 15.544 8.774 17.127
222 HB3 ASN 28 HB3 ASN 28 16.219 8.449 18.721
223 HD21 ASN 28 HD21 ASN 28 13.028 9.189 17.347
224 HD22 ASN 28 HD22 ASN 28 12.191 7.927 18.180
225 H GLY 29 H GLY 29 16.735 11.891 17.216
226 HA2 GLY 29 HA2 GLY 29 18.452 13.341 18.056
227 HA3 GLY 29 HA3 GLY 29 18.657 12.248 19.417
228 H HIS 30 H HIS 30 18.318 10.350 16.753
229 HA HIS 30 HA HIS 30 21.052 9.569 16.758
230 HB2 HIS 30 HB2 HIS 30 18.867 8.849 14.793
231 HB3 HIS 30 HB3 HIS 30 20.404 8.011 14.981
232 HD1 HIS 30 HD1 HIS 30 17.832 6.435 15.318
233 HD2 HIS 30 HD2 HIS 30 19.792 8.307 18.467
234 HE1 HIS 30 HE1 HIS 30 17.083 5.224 17.390
235 H VAL 31 H VAL 31 22.687 10.030 15.377
236 HA VAL 31 HA VAL 31 22.265 12.263 13.546
237 HB VAL 31 HB VAL 31 24.668 12.478 13.467
238 HG11 VAL 31 HG11 VAL 31 25.138 12.934 15.824
239 HG12 VAL 31 HG12 VAL 31 23.520 13.478 15.375
240 HG13 VAL 31 HG13 VAL 31 23.728 11.984 16.291
241 HG21 VAL 31 HG21 VAL 31 24.581 9.722 14.368
242 HG22 VAL 31 HG22 VAL 31 25.881 10.608 13.571
243 HG23 VAL 31 HG23 VAL 31 25.696 10.701 15.322
244 H VAL 32 H VAL 32 22.835 12.223 11.368
245 HA VAL 32 HA VAL 32 23.640 9.680 10.185
246 HB VAL 32 HB VAL 32 21.851 9.619 8.581
247 HG11 VAL 32 HG11 VAL 32 19.908 9.226 10.077
248 HG12 VAL 32 HG12 VAL 32 21.396 8.462 10.640
249 HG13 VAL 32 HG13 VAL 32 20.826 9.950 11.397
250 HG21 VAL 32 HG21 VAL 32 20.808 12.111 9.923
251 HG22 VAL 32 HG22 VAL 32 21.498 12.009 8.303
252 HG23 VAL 32 HG23 VAL 32 19.972 11.201 8.664
253 H LEU 33 H LEU 33 24.796 9.892 8.318
254 HA LEU 33 HA LEU 33 25.372 12.645 7.469
255 HB2 LEU 33 HB2 LEU 33 27.052 10.554 8.163
256 HB3 LEU 33 HB3 LEU 33 27.120 10.588 6.402
257 HG LEU 33 HG LEU 33 27.845 12.813 8.302
258 HD11 LEU 33 HD11 LEU 33 29.756 11.994 6.272
259 HD12 LEU 33 HD12 LEU 33 29.332 10.687 7.377
260 HD13 LEU 33 HD13 LEU 33 29.968 12.204 8.011
261 HD21 LEU 33 HD21 LEU 33 27.047 14.115 6.632
262 HD22 LEU 33 HD22 LEU 33 27.172 12.837 5.423
263 HD23 LEU 33 HD23 LEU 33 28.610 13.737 5.909
264 H GLY 34 H GLY 34 25.023 13.309 5.418
265 HA2 GLY 34 HA2 GLY 34 24.670 11.451 3.248
266 HA3 GLY 34 HA3 GLY 34 23.165 12.194 3.769
267 H HIS 35 H HIS 35 23.514 12.785 1.338
268 HA HIS 35 HA HIS 35 24.794 15.438 1.279
269 HB2 HIS 35 HB2 HIS 35 25.466 15.094 -0.995
270 HB3 HIS 35 HB3 HIS 35 26.007 13.695 -0.071
271 HD1 HIS 35 HD1 HIS 35 25.014 11.427 -0.677
272 HD2 HIS 35 HD2 HIS 35 23.345 14.580 -2.806
273 HE1 HIS 35 HE1 HIS 35 23.650 10.360 -2.500
274 H ILE 36 H ILE 36 23.726 17.071 0.158
275 HA ILE 36 HA ILE 36 20.880 16.539 -0.319
276 HB ILE 36 HB ILE 36 21.461 18.314 1.314
277 HG12 ILE 36 HG12 ILE 36 19.441 18.289 -0.430
278 HG13 ILE 36 HG13 ILE 36 19.671 19.609 0.711
279 HG21 ILE 36 HG21 ILE 36 23.487 19.177 0.408
280 HG22 ILE 36 HG22 ILE 36 22.695 19.613 -1.105
281 HG23 ILE 36 HG23 ILE 36 22.302 20.482 0.378
282 HD11 ILE 36 HD11 ILE 36 20.903 19.744 -2.002
283 HD12 ILE 36 HD12 ILE 36 19.199 20.134 -1.771
284 HD13 ILE 36 HD13 ILE 36 20.438 21.052 -0.914
285 H SER 37 H SER 37 19.862 17.125 -2.216
286 HA SER 37 HA SER 37 21.372 18.390 -4.345
287 HB2 SER 37 HB2 SER 37 20.718 16.461 -5.919
288 HB3 SER 37 HB3 SER 37 22.076 16.192 -4.827
289 HG SER 37 HG SER 37 19.635 14.955 -4.927
290 H GLY 38 H GLY 38 20.069 19.165 -6.048
291 HA2 GLY 38 HA2 GLY 38 17.471 18.677 -6.663
292 HA3 GLY 38 HA3 GLY 38 17.352 19.715 -5.250
293 H LYS 39 H LYS 39 16.209 21.104 -6.834
294 HA LYS 39 HA LYS 39 17.910 22.459 -8.768
295 HB2 LYS 39 HB2 LYS 39 15.862 23.621 -9.446
296 HB3 LYS 39 HB3 LYS 39 15.627 21.878 -9.426
297 HG2 LYS 39 HG2 LYS 39 14.200 21.948 -7.640
298 HG3 LYS 39 HG3 LYS 39 14.895 23.441 -7.004
299 HD2 LYS 39 HD2 LYS 39 12.969 24.311 -7.833
300 HD3 LYS 39 HD3 LYS 39 13.928 24.377 -9.314
301 HE2 LYS 39 HE2 LYS 39 11.871 23.408 -9.931
302 HE3 LYS 39 HE3 LYS 39 13.017 22.070 -9.837
303 HZ1 LYS 39 HZ1 LYS 39 12.134 21.864 -7.438
304 HZ2 LYS 39 HZ2 LYS 39 11.198 21.259 -8.710
305 HZ3 LYS 39 HZ3 LYS 39 10.811 22.749 -8.010
306 H MET 40 H MET 40 16.720 22.893 -5.570
307 HA MET 40 HA MET 40 17.123 25.759 -5.544
308 HB2 MET 40 HB2 MET 40 16.251 23.722 -3.527
309 HB3 MET 40 HB3 MET 40 16.768 25.314 -2.991
310 HG2 MET 40 HG2 MET 40 15.058 26.092 -4.852
311 HG3 MET 40 HG3 MET 40 14.358 24.511 -4.514
312 HE1 MET 40 HE1 MET 40 15.093 27.957 -3.594
313 HE2 MET 40 HE2 MET 40 14.183 28.301 -2.123
314 HE3 MET 40 HE3 MET 40 15.794 27.590 -2.017
315 H ARG 41 H ARG 41 18.979 22.934 -4.992
316 HA ARG 41 HA ARG 41 20.916 24.165 -3.253
317 HB2 ARG 41 HB2 ARG 41 20.357 21.690 -3.321
318 HB3 ARG 41 HB3 ARG 41 21.253 21.618 -4.832
319 HG2 ARG 41 HG2 ARG 41 23.113 22.780 -3.334
320 HG3 ARG 41 HG3 ARG 41 22.229 21.940 -2.058
321 HD2 ARG 41 HD2 ARG 41 23.949 20.476 -2.788
322 HD3 ARG 41 HD3 ARG 41 22.433 19.850 -3.434
323 HE ARG 41 HE ARG 41 23.225 20.224 -5.546
324 HH11 ARG 41 HH11 ARG 41 25.158 22.020 -3.275
325 HH12 ARG 41 HH12 ARG 41 26.327 22.509 -4.457
326 HH21 ARG 41 HH21 ARG 41 24.758 20.861 -7.111
327 HH22 ARG 41 HH22 ARG 41 26.098 21.849 -6.639
328 H MET 42 H MET 42 20.374 23.975 -6.635
329 HA MET 42 HA MET 42 23.110 24.433 -7.410
330 HB2 MET 42 HB2 MET 42 20.529 24.600 -8.974
331 HB3 MET 42 HB3 MET 42 22.130 24.781 -9.678
332 HG2 MET 42 HG2 MET 42 22.610 22.566 -9.519
333 HG3 MET 42 HG3 MET 42 21.594 22.334 -8.098
334 HE1 MET 42 HE1 MET 42 21.833 21.671 -11.910
335 HE2 MET 42 HE2 MET 42 20.284 22.281 -12.491
336 HE3 MET 42 HE3 MET 42 21.469 23.394 -11.805
337 H HIS 43 H HIS 43 20.780 26.343 -6.029
338 HA HIS 43 HA HIS 43 21.536 28.787 -7.433
339 HB2 HIS 43 HB2 HIS 43 19.461 28.170 -5.334
340 HB3 HIS 43 HB3 HIS 43 19.844 29.819 -5.820
341 HD1 HIS 43 HD1 HIS 43 17.131 29.485 -6.436
342 HD2 HIS 43 HD2 HIS 43 19.963 27.768 -8.944
343 HE1 HIS 43 HE1 HIS 43 15.941 29.077 -8.613
344 H TYR 44 H TYR 44 23.238 27.130 -5.486
345 HA TYR 44 HA TYR 44 24.746 27.476 -3.813
346 HB2 TYR 44 HB2 TYR 44 24.616 30.385 -4.600
347 HB3 TYR 44 HB3 TYR 44 25.985 29.507 -3.928
348 HD1 TYR 44 HD2 TYR 44 26.833 27.487 -5.397
349 HD2 TYR 44 HD1 TYR 44 24.546 30.753 -6.882
350 HE1 TYR 44 HE2 TYR 44 27.657 27.024 -7.668
351 HE2 TYR 44 HE1 TYR 44 25.363 30.298 -9.157
352 HH TYR 44 HH TYR 44 26.986 27.431 -9.988
353 H ILE 45 H ILE 45 22.388 27.201 -2.683
354 HA ILE 45 HA ILE 45 21.300 29.314 -1.228
355 HB ILE 45 HB ILE 45 20.527 27.519 0.384
356 HG12 ILE 45 HG12 ILE 45 21.710 25.626 -1.647
357 HG13 ILE 45 HG13 ILE 45 22.528 26.033 -0.143
358 HG21 ILE 45 HG21 ILE 45 19.991 27.497 -2.556
359 HG22 ILE 45 HG22 ILE 45 19.186 26.335 -1.502
360 HG23 ILE 45 HG23 ILE 45 18.970 28.064 -1.234
361 HD11 ILE 45 HD11 ILE 45 21.361 23.949 0.101
362 HD12 ILE 45 HD12 ILE 45 20.582 25.175 1.102
363 HD13 ILE 45 HD13 ILE 45 19.852 24.691 -0.429
364 H ARG 46 H ARG 46 21.294 29.041 1.357
365 HA ARG 46 HA ARG 46 24.104 29.011 2.238
366 HB2 ARG 46 HB2 ARG 46 21.972 31.061 2.812
367 HB3 ARG 46 HB3 ARG 46 23.392 30.882 3.833
368 HG2 ARG 46 HG2 ARG 46 24.621 31.085 1.485
369 HG3 ARG 46 HG3 ARG 46 23.146 31.970 1.094
370 HD2 ARG 46 HD2 ARG 46 24.650 33.595 1.882
371 HD3 ARG 46 HD3 ARG 46 23.553 33.287 3.228
372 HE ARG 46 HE ARG 46 25.791 31.609 3.467
373 HH11 ARG 46 HH11 ARG 46 24.924 34.973 3.698
374 HH12 ARG 46 HH12 ARG 46 26.171 35.351 4.840
375 HH21 ARG 46 HH21 ARG 46 27.438 32.094 4.970
376 HH22 ARG 46 HH22 ARG 46 27.601 33.713 5.562
377 H ILE 47 H ILE 47 23.503 26.800 2.877
378 HA ILE 47 HA ILE 47 21.539 26.330 4.876
379 HB ILE 47 HB ILE 47 23.946 24.613 4.276
380 HG12 ILE 47 HG12 ILE 47 21.212 24.550 2.980
381 HG13 ILE 47 HG13 ILE 47 22.678 25.157 2.217
382 HG21 ILE 47 HG21 ILE 47 22.817 23.969 6.300
383 HG22 ILE 47 HG22 ILE 47 21.254 24.009 5.487
384 HG23 ILE 47 HG23 ILE 47 22.448 22.791 5.040
385 HD11 ILE 47 HD11 ILE 47 23.548 22.735 2.844
386 HD12 ILE 47 HD12 ILE 47 21.823 22.377 2.750
387 HD13 ILE 47 HD13 ILE 47 22.659 23.065 1.358
388 H LEU 48 H LEU 48 21.805 25.898 7.083
389 HA LEU 48 HA LEU 48 24.384 26.446 8.314
390 HB2 LEU 48 HB2 LEU 48 23.045 27.975 9.965
391 HB3 LEU 48 HB3 LEU 48 23.721 28.623 8.473
392 HG LEU 48 HG LEU 48 21.475 28.387 7.425
393 HD11 LEU 48 HD11 LEU 48 20.803 27.435 10.179
394 HD12 LEU 48 HD12 LEU 48 20.342 26.759 8.617
395 HD13 LEU 48 HD13 LEU 48 19.590 28.248 9.189
396 HD21 LEU 48 HD21 LEU 48 21.254 30.527 7.960
397 HD22 LEU 48 HD22 LEU 48 22.397 30.306 9.285
398 HD23 LEU 48 HD23 LEU 48 20.669 30.087 9.565
399 HA PRO 49 HA PRO 49 23.118 23.446 11.255
400 HB2 PRO 49 HB2 PRO 49 24.266 24.360 13.539
401 HB3 PRO 49 HB3 PRO 49 25.196 23.653 12.213
402 HG2 PRO 49 HG2 PRO 49 24.745 26.535 12.883
403 HG3 PRO 49 HG3 PRO 49 26.239 25.724 12.380
404 HD2 PRO 49 HD2 PRO 49 24.721 27.173 10.669
405 HD3 PRO 49 HD3 PRO 49 25.653 25.754 10.151
406 H GLY 50 H GLY 50 21.083 23.226 11.942
407 HA2 GLY 50 HA2 GLY 50 19.670 23.656 13.945
408 HA3 GLY 50 HA3 GLY 50 19.957 25.364 13.646
409 H ASP 51 H ASP 51 19.623 23.651 10.769
410 HA ASP 51 HA ASP 51 16.917 24.716 10.431
411 HB2 ASP 51 HB2 ASP 51 18.901 25.153 8.808
412 HB3 ASP 51 HB3 ASP 51 18.567 23.526 8.221
413 H LYS 52 H LYS 52 15.169 23.461 10.108
414 HA LYS 52 HA LYS 52 15.419 20.633 10.607
415 HB2 LYS 52 HB2 LYS 52 12.986 22.327 10.007
416 HB3 LYS 52 HB3 LYS 52 12.946 20.643 10.513
417 HG2 LYS 52 HG2 LYS 52 14.038 21.280 12.627
418 HG3 LYS 52 HG3 LYS 52 13.983 22.969 12.119
419 HD2 LYS 52 HD2 LYS 52 11.449 21.412 12.084
420 HD3 LYS 52 HD3 LYS 52 12.098 21.908 13.649
421 HE2 LYS 52 HE2 LYS 52 12.181 24.237 12.841
422 HE3 LYS 52 HE3 LYS 52 11.459 23.716 11.320
423 HZ1 LYS 52 HZ1 LYS 52 9.841 24.652 12.901
424 HZ2 LYS 52 HZ2 LYS 52 10.179 23.393 13.979
425 HZ3 LYS 52 HZ3 LYS 52 9.484 23.055 12.474
426 H VAL 53 H VAL 53 15.696 19.139 9.098
427 HA VAL 53 HA VAL 53 14.491 19.523 6.454
428 HB VAL 53 HB VAL 53 16.479 18.852 5.280
429 HG11 VAL 53 HG11 VAL 53 17.688 20.866 7.071
430 HG12 VAL 53 HG12 VAL 53 17.491 20.876 5.317
431 HG13 VAL 53 HG13 VAL 53 16.128 21.280 6.362
432 HG21 VAL 53 HG21 VAL 53 18.652 18.717 6.666
433 HG22 VAL 53 HG22 VAL 53 17.579 18.416 8.033
434 HG23 VAL 53 HG23 VAL 53 17.573 17.323 6.650
435 H THR 54 H THR 54 14.163 17.572 5.270
436 HA THR 54 HA THR 54 13.738 15.281 7.010
437 HB THR 54 HB THR 54 13.026 15.448 4.085
438 HG1 THR 54 HG1 THR 54 11.119 16.413 4.675
439 HG21 THR 54 HG21 THR 54 11.361 13.799 4.639
440 HG22 THR 54 HG22 THR 54 11.742 13.930 6.357
441 HG23 THR 54 HG23 THR 54 12.922 13.242 5.241
442 H VAL 55 H VAL 55 14.591 13.232 6.674
443 HA VAL 55 HA VAL 55 16.656 12.942 4.613
444 HB VAL 55 HB VAL 55 18.036 11.703 6.410
445 HG11 VAL 55 HG11 VAL 55 18.156 14.223 5.361
446 HG12 VAL 55 HG12 VAL 55 18.190 14.542 7.096
447 HG13 VAL 55 HG13 VAL 55 19.398 13.481 6.370
448 HG21 VAL 55 HG21 VAL 55 17.772 12.500 8.682
449 HG22 VAL 55 HG22 VAL 55 16.409 13.509 8.198
450 HG23 VAL 55 HG23 VAL 55 16.272 11.752 8.134
451 H GLU 56 H GLU 56 16.752 10.954 3.709
452 HA GLU 56 HA GLU 56 14.831 8.967 4.689
453 HB2 GLU 56 HB2 GLU 56 15.629 9.873 2.078
454 HB3 GLU 56 HB3 GLU 56 15.908 8.143 2.215
455 HG2 GLU 56 HG2 GLU 56 13.574 7.852 2.945
456 HG3 GLU 56 HG3 GLU 56 13.310 9.578 2.708
457 H LEU 57 H LEU 57 15.552 7.276 5.784
458 HA LEU 57 HA LEU 57 18.367 6.481 5.462
459 HB2 LEU 57 HB2 LEU 57 17.722 7.260 7.706
460 HB3 LEU 57 HB3 LEU 57 16.505 5.988 7.782
461 HG LEU 57 HG LEU 57 18.847 4.612 7.270
462 HD11 LEU 57 HD11 LEU 57 19.614 6.270 9.579
463 HD12 LEU 57 HD12 LEU 57 19.772 7.034 7.999
464 HD13 LEU 57 HD13 LEU 57 20.612 5.520 8.333
465 HD21 LEU 57 HD21 LEU 57 18.654 4.153 9.814
466 HD22 LEU 57 HD22 LEU 57 17.333 3.676 8.748
467 HD23 LEU 57 HD23 LEU 57 17.202 5.149 9.710
468 H THR 58 H THR 58 18.904 4.352 5.118
469 HA THR 58 HA THR 58 16.683 2.622 4.281
470 HB THR 58 HB THR 58 18.954 1.345 3.426
471 HG1 THR 58 HG1 THR 58 20.345 2.905 2.639
472 HG21 THR 58 HG21 THR 58 16.706 2.344 2.298
473 HG22 THR 58 HG22 THR 58 18.045 1.657 1.378
474 HG23 THR 58 HG23 THR 58 17.921 3.404 1.585
475 HA PRO 59 HA PRO 59 17.351 -0.330 7.459
476 HB2 PRO 59 HB2 PRO 59 16.988 -2.680 6.148
477 HB3 PRO 59 HB3 PRO 59 15.661 -1.574 6.524
478 HG2 PRO 59 HG2 PRO 59 17.164 -1.928 3.959
479 HG3 PRO 59 HG3 PRO 59 15.421 -1.727 4.216
480 HD2 PRO 59 HD2 PRO 59 17.021 0.309 3.424
481 HD3 PRO 59 HD3 PRO 59 15.591 0.560 4.446
482 H TYR 60 H TYR 60 19.407 -0.245 4.728
483 HA TYR 60 HA TYR 60 21.113 -2.406 5.201
484 HB2 TYR 60 HB2 TYR 60 21.763 0.308 4.032
485 HB3 TYR 60 HB3 TYR 60 22.795 -1.113 3.921
486 HD1 TYR 60 HD2 TYR 60 20.860 -3.235 3.312
487 HD2 TYR 60 HD1 TYR 60 21.085 0.756 1.853
488 HE1 TYR 60 HE2 TYR 60 19.694 -3.925 1.260
489 HE2 TYR 60 HE1 TYR 60 19.919 0.076 -0.203
490 HH TYR 60 HH TYR 60 18.419 -1.693 -0.970
491 H ASP 61 H ASP 61 21.182 0.898 6.471
492 HA ASP 61 HA ASP 61 22.559 0.042 8.833
493 HB2 ASP 61 HB2 ASP 61 24.035 1.426 6.647
494 HB3 ASP 61 HB3 ASP 61 24.381 1.917 8.303
495 H LEU 62 H LEU 62 22.814 1.786 10.399
496 HA LEU 62 HA LEU 62 20.813 3.892 9.958
497 HB2 LEU 62 HB2 LEU 62 21.952 2.990 12.592
498 HB3 LEU 62 HB3 LEU 62 20.527 3.991 12.320
499 HG LEU 62 HG LEU 62 20.601 1.169 11.322
500 HD11 LEU 62 HD11 LEU 62 21.093 0.654 13.503
501 HD12 LEU 62 HD12 LEU 62 19.334 0.745 13.570
502 HD13 LEU 62 HD13 LEU 62 20.309 2.100 14.138
503 HD21 LEU 62 HD21 LEU 62 18.577 3.273 11.853
504 HD22 LEU 62 HD22 LEU 62 18.104 1.594 12.111
505 HD23 LEU 62 HD23 LEU 62 18.687 2.113 10.529
506 H SER 63 H SER 63 23.840 3.744 9.340
507 HA SER 63 HA SER 63 24.545 6.282 10.665
508 HB2 SER 63 HB2 SER 63 26.405 4.081 9.733
509 HB3 SER 63 HB3 SER 63 26.914 5.617 10.434
510 HG SER 63 HG SER 63 26.364 3.429 11.727
511 H ARG 64 H ARG 64 23.063 5.939 8.191
512 HA ARG 64 HA ARG 64 24.460 7.804 6.580
513 HB2 ARG 64 HB2 ARG 64 24.559 6.265 4.537
514 HB3 ARG 64 HB3 ARG 64 25.803 6.059 5.762
515 HG2 ARG 64 HG2 ARG 64 24.487 4.173 6.700
516 HG3 ARG 64 HG3 ARG 64 23.371 4.338 5.343
517 HD2 ARG 64 HD2 ARG 64 25.109 2.574 5.038
518 HD3 ARG 64 HD3 ARG 64 25.091 3.803 3.774
519 HE ARG 64 HE ARG 64 26.938 4.437 5.851
520 HH11 ARG 64 HH11 ARG 64 26.487 2.485 3.004
521 HH12 ARG 64 HH12 ARG 64 28.180 2.378 2.650
522 HH21 ARG 64 HH21 ARG 64 29.169 4.303 5.396
523 HH22 ARG 64 HH22 ARG 64 29.704 3.411 4.012
524 H ALA 65 H ALA 65 23.140 8.742 5.036
525 HA ALA 65 HA ALA 65 20.698 7.587 4.146
526 HB1 ALA 65 HB1 ALA 65 20.644 9.303 6.552
527 HB2 ALA 65 HB2 ALA 65 19.408 9.609 5.331
528 HB3 ALA 65 HB3 ALA 65 19.556 8.008 6.054
529 H ARG 66 H ARG 66 19.294 9.343 3.056
530 HA ARG 66 HA ARG 66 21.124 11.115 1.602
531 HB2 ARG 66 HB2 ARG 66 19.561 11.084 -0.200
532 HB3 ARG 66 HB3 ARG 66 19.747 9.424 0.349
533 HG2 ARG 66 HG2 ARG 66 17.654 9.589 1.589
534 HG3 ARG 66 HG3 ARG 66 17.468 11.261 1.054
535 HD2 ARG 66 HD2 ARG 66 17.529 8.807 -0.699
536 HD3 ARG 66 HD3 ARG 66 16.114 9.786 -0.314
537 HE ARG 66 HE ARG 66 17.972 11.496 -1.446
538 HH11 ARG 66 HH11 ARG 66 16.188 8.657 -2.386
539 HH12 ARG 66 HH12 ARG 66 16.135 9.087 -4.063
540 HH21 ARG 66 HH21 ARG 66 17.908 12.072 -3.652
541 HH22 ARG 66 HH22 ARG 66 17.114 11.029 -4.783
542 H ILE 67 H ILE 67 20.929 13.277 1.654
543 HA ILE 67 HA ILE 67 19.191 14.464 3.599
544 HB ILE 67 HB ILE 67 20.957 15.841 1.574
545 HG12 ILE 67 HG12 ILE 67 22.179 14.250 3.054
546 HG13 ILE 67 HG13 ILE 67 22.650 15.928 3.300
547 HG21 ILE 67 HG21 ILE 67 19.475 17.451 2.390
548 HG22 ILE 67 HG22 ILE 67 19.494 16.776 4.018
549 HG23 ILE 67 HG23 ILE 67 20.907 17.634 3.403
550 HD11 ILE 67 HD11 ILE 67 21.876 15.970 5.408
551 HD12 ILE 67 HD12 ILE 67 20.496 14.934 5.039
552 HD13 ILE 67 HD13 ILE 67 22.090 14.224 5.289
553 H VAL 68 H VAL 68 17.369 15.647 3.306
554 HA VAL 68 HA VAL 68 16.406 15.989 0.541
555 HB VAL 68 HB VAL 68 14.520 15.517 2.828
556 HG11 VAL 68 HG11 VAL 68 14.379 15.335 -0.166
557 HG12 VAL 68 HG12 VAL 68 13.167 14.583 0.873
558 HG13 VAL 68 HG13 VAL 68 13.414 16.329 0.926
559 HG21 VAL 68 HG21 VAL 68 15.485 13.492 3.072
560 HG22 VAL 68 HG22 VAL 68 14.552 13.105 1.626
561 HG23 VAL 68 HG23 VAL 68 16.253 13.546 1.485
562 H PHE 69 H PHE 69 14.739 17.688 0.315
563 HA PHE 69 HA PHE 69 15.591 20.154 1.183
564 HB2 PHE 69 HB2 PHE 69 12.971 19.150 0.139
565 HB3 PHE 69 HB3 PHE 69 13.083 20.806 0.727
566 HD1 PHE 69 HD2 PHE 69 15.276 18.590 -1.330
567 HD2 PHE 69 HD1 PHE 69 13.258 22.321 -0.976
568 HE1 PHE 69 HE2 PHE 69 16.201 19.292 -3.499
569 HE2 PHE 69 HE1 PHE 69 14.179 23.028 -3.145
570 HZ PHE 69 HZ PHE 69 15.654 21.514 -4.409
571 H ARG 70 H ARG 70 14.370 21.737 2.553
572 HA ARG 70 HA ARG 70 14.383 21.027 5.206
573 HB2 ARG 70 HB2 ARG 70 12.622 23.164 3.996
574 HB3 ARG 70 HB3 ARG 70 13.193 23.090 5.657
575 HG2 ARG 70 HG2 ARG 70 15.505 23.342 4.844
576 HG3 ARG 70 HG3 ARG 70 14.883 23.500 3.200
577 HD2 ARG 70 HD2 ARG 70 14.328 25.330 5.531
578 HD3 ARG 70 HD3 ARG 70 15.318 25.691 4.118
579 HE ARG 70 HE ARG 70 12.702 24.992 3.317
580 HH11 ARG 70 HH11 ARG 70 14.497 27.569 4.821
581 HH12 ARG 70 HH12 ARG 70 13.415 28.811 4.284
582 HH21 ARG 70 HH21 ARG 70 11.271 26.619 2.604
583 HH22 ARG 70 HH22 ARG 70 11.581 28.270 3.024
584 H ALA 71 H ALA 71 12.701 20.718 6.768
585 HA ALA 71 HA ALA 71 10.570 19.026 5.752
586 HB1 ALA 71 HB1 ALA 71 11.662 18.076 7.591
587 HB2 ALA 71 HB2 ALA 71 11.643 19.590 8.498
588 HB3 ALA 71 HB3 ALA 71 10.146 18.691 8.250
589 H LYS 72 H LYS 72 9.944 21.403 4.838
590 HA LYS 72 HA LYS 72 8.599 23.214 6.467
591 HB2 LYS 72 HB2 LYS 72 9.207 23.256 3.903
592 HB3 LYS 72 HB3 LYS 72 7.572 22.632 3.718
593 HG2 LYS 72 HG2 LYS 72 7.036 24.678 5.332
594 HG3 LYS 72 HG3 LYS 72 8.502 25.307 4.575
595 HD2 LYS 72 HD2 LYS 72 6.244 24.166 2.954
596 HD3 LYS 72 HD3 LYS 72 6.262 25.856 3.463
597 HE2 LYS 72 HE2 LYS 72 8.027 26.388 2.104
598 HE3 LYS 72 HE3 LYS 72 8.688 24.754 2.141
599 HZ1 LYS 72 HZ1 LYS 72 7.853 24.966 0.006
600 HZ2 LYS 72 HZ2 LYS 72 6.474 25.810 0.502
601 HZ3 LYS 72 HZ3 LYS 72 6.606 24.151 0.807
Start of MODEL 5
1 H1 MET 1 H MET 1 17.149 -7.093 -2.127
2 HA MET 1 HA MET 1 14.698 -8.606 -1.712
3 HB2 MET 1 HB2 MET 1 15.728 -6.596 0.298
4 HB3 MET 1 HB3 MET 1 14.119 -7.305 0.318
5 HG2 MET 1 HG2 MET 1 15.500 -9.555 0.321
6 HG3 MET 1 HG3 MET 1 16.735 -8.509 1.018
7 HE1 MET 1 HE1 MET 1 16.604 -10.023 3.530
8 HE2 MET 1 HE2 MET 1 15.008 -10.685 3.886
9 HE3 MET 1 HE3 MET 1 15.753 -10.976 2.313
10 H ALA 2 H ALA 2 13.549 -7.789 -3.354
11 HA ALA 2 HA ALA 2 13.804 -5.210 -4.424
12 HB1 ALA 2 HB1 ALA 2 12.389 -7.523 -5.055
13 HB2 ALA 2 HB2 ALA 2 11.156 -6.284 -4.822
14 HB3 ALA 2 HB3 ALA 2 12.454 -6.028 -5.988
15 H LYS 3 H LYS 3 11.962 -6.422 -1.739
16 HA LYS 3 HA LYS 3 9.967 -4.520 -1.488
17 HB2 LYS 3 HB2 LYS 3 11.540 -5.749 0.782
18 HB3 LYS 3 HB3 LYS 3 9.922 -5.065 0.879
19 HG2 LYS 3 HG2 LYS 3 9.169 -6.826 -0.724
20 HG3 LYS 3 HG3 LYS 3 10.768 -7.559 -0.575
21 HD2 LYS 3 HD2 LYS 3 10.264 -7.458 1.984
22 HD3 LYS 3 HD3 LYS 3 8.584 -7.332 1.456
23 HE2 LYS 3 HE2 LYS 3 8.717 -9.419 0.304
24 HE3 LYS 3 HE3 LYS 3 10.461 -9.505 0.545
25 HZ1 LYS 3 HZ1 LYS 3 10.039 -10.650 2.378
26 HZ2 LYS 3 HZ2 LYS 3 8.375 -10.365 2.264
27 HZ3 LYS 3 HZ3 LYS 3 9.370 -9.254 3.062
28 H ASP 4 H ASP 4 10.326 -2.400 -1.751
29 HA ASP 4 HA ASP 4 12.656 -1.155 -0.507
30 HB2 ASP 4 HB2 ASP 4 10.756 -0.400 -2.671
31 HB3 ASP 4 HB3 ASP 4 11.490 0.906 -1.744
32 H ASP 5 H ASP 5 12.319 -0.809 1.612
33 HA ASP 5 HA ASP 5 9.744 0.247 2.507
34 HB2 ASP 5 HB2 ASP 5 12.088 -1.009 3.896
35 HB3 ASP 5 HB3 ASP 5 10.934 -0.042 4.811
36 H VAL 6 H VAL 6 11.119 2.049 0.974
37 HA VAL 6 HA VAL 6 12.778 3.792 2.495
38 HB VAL 6 HB VAL 6 12.554 5.362 0.657
39 HG11 VAL 6 HG11 VAL 6 13.173 3.786 -1.247
40 HG12 VAL 6 HG12 VAL 6 14.147 3.690 0.221
41 HG13 VAL 6 HG13 VAL 6 12.908 2.475 -0.098
42 HG21 VAL 6 HG21 VAL 6 11.042 4.180 -1.289
43 HG22 VAL 6 HG22 VAL 6 10.103 3.843 0.165
44 HG23 VAL 6 HG23 VAL 6 10.512 5.506 -0.255
45 H ILE 7 H ILE 7 12.288 5.533 3.713
46 HA ILE 7 HA ILE 7 9.565 6.588 3.700
47 HB ILE 7 HB ILE 7 9.391 6.510 6.145
48 HG12 ILE 7 HG12 ILE 7 11.125 4.580 7.013
49 HG13 ILE 7 HG13 ILE 7 12.131 5.466 5.872
50 HG21 ILE 7 HG21 ILE 7 9.851 3.802 4.899
51 HG22 ILE 7 HG22 ILE 7 8.920 4.123 6.361
52 HG23 ILE 7 HG23 ILE 7 8.364 4.745 4.808
53 HD11 ILE 7 HD11 ILE 7 10.707 7.304 7.539
54 HD12 ILE 7 HD12 ILE 7 11.563 6.121 8.528
55 HD13 ILE 7 HD13 ILE 7 12.445 7.083 7.342
56 H GLN 8 H GLN 8 9.527 8.741 3.898
57 HA GLN 8 HA GLN 8 12.018 10.160 4.185
58 HB2 GLN 8 HB2 GLN 8 9.207 11.224 3.862
59 HB3 GLN 8 HB3 GLN 8 10.686 12.163 3.712
60 HG2 GLN 8 HG2 GLN 8 11.202 11.292 1.669
61 HG3 GLN 8 HG3 GLN 8 10.359 9.776 1.979
62 HE21 GLN 8 HE21 GLN 8 9.953 13.153 1.146
63 HE22 GLN 8 HE22 GLN 8 8.393 12.985 0.423
64 H MET 9 H MET 9 12.829 10.928 6.015
65 HA MET 9 HA MET 9 11.047 11.160 8.345
66 HB2 MET 9 HB2 MET 9 13.885 10.341 8.013
67 HB3 MET 9 HB3 MET 9 13.470 11.222 9.477
68 HG2 MET 9 HG2 MET 9 11.782 8.908 8.686
69 HG3 MET 9 HG3 MET 9 13.376 8.601 9.373
70 HE1 MET 9 HE1 MET 9 9.585 9.045 10.755
71 HE2 MET 9 HE2 MET 9 10.606 7.741 10.150
72 HE3 MET 9 HE3 MET 9 10.395 7.962 11.887
73 H GLN 10 H GLN 10 11.260 12.959 9.744
74 HA GLN 10 HA GLN 10 12.399 15.330 8.423
75 HB2 GLN 10 HB2 GLN 10 9.891 14.837 9.862
76 HB3 GLN 10 HB3 GLN 10 10.720 16.304 10.364
77 HG2 GLN 10 HG2 GLN 10 9.655 17.266 8.664
78 HG3 GLN 10 HG3 GLN 10 10.864 16.482 7.649
79 HE21 GLN 10 HE21 GLN 10 10.159 13.958 7.476
80 HE22 GLN 10 HE22 GLN 10 8.570 13.770 6.824
81 H GLY 11 H GLY 11 14.316 15.841 9.260
82 HA2 GLY 11 HA2 GLY 11 14.573 15.831 12.201
83 HA3 GLY 11 HA3 GLY 11 15.860 15.222 11.171
84 H GLU 12 H GLU 12 16.776 17.021 12.751
85 HA GLU 12 HA GLU 12 16.755 19.555 11.246
86 HB2 GLU 12 HB2 GLU 12 15.779 19.878 13.439
87 HB3 GLU 12 HB3 GLU 12 17.155 19.098 14.206
88 HG2 GLU 12 HG2 GLU 12 18.597 20.926 13.349
89 HG3 GLU 12 HG3 GLU 12 17.148 21.729 12.748
90 H VAL 13 H VAL 13 18.685 20.484 10.710
91 HA VAL 13 HA VAL 13 20.947 18.828 10.458
92 HB VAL 13 HB VAL 13 20.782 21.838 10.247
93 HG11 VAL 13 HG11 VAL 13 22.883 19.927 9.230
94 HG12 VAL 13 HG12 VAL 13 22.829 21.664 8.922
95 HG13 VAL 13 HG13 VAL 13 23.075 21.065 10.563
96 HG21 VAL 13 HG21 VAL 13 20.547 21.481 7.863
97 HG22 VAL 13 HG22 VAL 13 20.647 19.735 8.088
98 HG23 VAL 13 HG23 VAL 13 19.265 20.628 8.724
99 H ILE 14 H ILE 14 22.765 18.587 11.648
100 HA ILE 14 HA ILE 14 22.945 20.134 14.152
101 HB ILE 14 HB ILE 14 22.378 17.775 14.560
102 HG12 ILE 14 HG12 ILE 14 25.229 18.340 15.387
103 HG13 ILE 14 HG13 ILE 14 23.834 19.123 16.121
104 HG21 ILE 14 HG21 ILE 14 25.023 17.176 13.242
105 HG22 ILE 14 HG22 ILE 14 23.972 16.007 14.041
106 HG23 ILE 14 HG23 ILE 14 23.432 16.818 12.571
107 HD11 ILE 14 HD11 ILE 14 23.832 17.449 17.573
108 HD12 ILE 14 HD12 ILE 14 23.229 16.435 16.262
109 HD13 ILE 14 HD13 ILE 14 24.958 16.503 16.600
110 H GLU 15 H GLU 15 24.630 18.814 11.397
111 HA GLU 15 HA GLU 15 26.946 20.478 12.078
112 HB2 GLU 15 HB2 GLU 15 26.907 17.540 11.675
113 HB3 GLU 15 HB3 GLU 15 28.222 18.418 10.907
114 HG2 GLU 15 HG2 GLU 15 28.889 19.345 13.043
115 HG3 GLU 15 HG3 GLU 15 27.533 18.543 13.834
116 H ASN 16 H ASN 16 28.299 21.003 10.235
117 HA ASN 16 HA ASN 16 27.064 20.567 7.615
118 HB2 ASN 16 HB2 ASN 16 26.140 22.669 8.093
119 HB3 ASN 16 HB3 ASN 16 27.594 23.225 8.915
120 HD21 ASN 16 HD21 ASN 16 27.794 25.069 7.699
121 HD22 ASN 16 HD22 ASN 16 28.244 25.051 6.031
122 H LEU 17 H LEU 17 28.572 19.740 6.342
123 HA LEU 17 HA LEU 17 31.322 20.768 6.558
124 HB2 LEU 17 HB2 LEU 17 30.325 17.976 6.576
125 HB3 LEU 17 HB3 LEU 17 31.808 18.299 5.681
126 HG LEU 17 HG LEU 17 32.555 19.432 7.924
127 HD11 LEU 17 HD11 LEU 17 31.292 17.473 9.518
128 HD12 LEU 17 HD12 LEU 17 30.027 18.331 8.638
129 HD13 LEU 17 HD13 LEU 17 31.168 19.228 9.639
130 HD21 LEU 17 HD21 LEU 17 32.467 16.515 7.246
131 HD22 LEU 17 HD22 LEU 17 33.255 17.081 8.719
132 HD23 LEU 17 HD23 LEU 17 33.819 17.644 7.145
133 HA PRO 18 HA PRO 18 31.287 21.388 2.215
134 HB2 PRO 18 HB2 PRO 18 33.806 20.672 1.499
135 HB3 PRO 18 HB3 PRO 18 33.447 22.149 2.400
136 HG2 PRO 18 HG2 PRO 18 34.431 19.507 3.407
137 HG3 PRO 18 HG3 PRO 18 34.954 21.141 3.857
138 HD2 PRO 18 HD2 PRO 18 33.255 19.684 5.381
139 HD3 PRO 18 HD3 PRO 18 33.172 21.455 5.284
140 H ASN 19 H ASN 19 32.331 20.189 0.114
141 HA ASN 19 HA ASN 19 32.125 18.452 -1.340
142 HB2 ASN 19 HB2 ASN 19 32.144 16.581 1.023
143 HB3 ASN 19 HB3 ASN 19 32.718 16.277 -0.614
144 HD21 ASN 19 HD21 ASN 19 34.505 17.814 -1.317
145 HD22 ASN 19 HD22 ASN 19 35.754 18.104 -0.159
146 H ALA 20 H ALA 20 29.769 19.703 -0.185
147 HA ALA 20 HA ALA 20 27.504 19.475 -0.145
148 HB1 ALA 20 HB1 ALA 20 26.676 18.534 -2.007
149 HB2 ALA 20 HB2 ALA 20 28.371 18.288 -2.427
150 HB3 ALA 20 HB3 ALA 20 27.448 16.980 -1.688
151 H THR 21 H THR 21 28.872 18.341 2.038
152 HA THR 21 HA THR 21 27.280 15.935 2.627
153 HB THR 21 HB THR 21 28.897 15.349 4.310
154 HG1 THR 21 HG1 THR 21 30.123 17.844 3.673
155 HG21 THR 21 HG21 THR 21 30.944 15.106 2.935
156 HG22 THR 21 HG22 THR 21 30.247 16.213 1.751
157 HG23 THR 21 HG23 THR 21 29.478 14.658 2.064
158 H PHE 22 H PHE 22 25.992 15.845 4.425
159 HA PHE 22 HA PHE 22 26.017 17.974 6.379
160 HB2 PHE 22 HB2 PHE 22 23.871 17.715 4.310
161 HB3 PHE 22 HB3 PHE 22 23.433 18.235 5.934
162 HD1 PHE 22 HD2 PHE 22 24.423 20.314 6.866
163 HD2 PHE 22 HD1 PHE 22 24.954 19.171 2.801
164 HE1 PHE 22 HE2 PHE 22 25.092 22.616 6.310
165 HE2 PHE 22 HE1 PHE 22 25.625 21.470 2.238
166 HZ PHE 22 HZ PHE 22 25.693 23.197 3.994
167 H ARG 23 H ARG 23 24.831 17.484 8.261
168 HA ARG 23 HA ARG 23 23.751 14.748 8.383
169 HB2 ARG 23 HB2 ARG 23 25.870 16.022 10.014
170 HB3 ARG 23 HB3 ARG 23 24.690 15.059 10.893
171 HG2 ARG 23 HG2 ARG 23 25.181 13.185 9.292
172 HG3 ARG 23 HG3 ARG 23 26.523 14.160 8.688
173 HD2 ARG 23 HD2 ARG 23 27.277 14.294 11.131
174 HD3 ARG 23 HD3 ARG 23 26.142 12.977 11.421
175 HE ARG 23 HE ARG 23 27.989 12.482 9.270
176 HH11 ARG 23 HH11 ARG 23 27.442 12.256 12.701
177 HH12 ARG 23 HH12 ARG 23 28.586 10.976 12.931
178 HH21 ARG 23 HH21 ARG 23 29.499 10.796 9.560
179 HH22 ARG 23 HH22 ARG 23 29.756 10.147 11.144
180 H VAL 24 H VAL 24 21.891 14.477 9.514
181 HA VAL 24 HA VAL 24 20.867 16.742 11.078
182 HB VAL 24 HB VAL 24 18.621 16.430 10.107
183 HG11 VAL 24 HG11 VAL 24 19.754 17.016 7.608
184 HG12 VAL 24 HG12 VAL 24 19.251 18.156 8.858
185 HG13 VAL 24 HG13 VAL 24 20.915 17.571 8.814
186 HG21 VAL 24 HG21 VAL 24 18.181 15.030 8.282
187 HG22 VAL 24 HG22 VAL 24 19.894 14.783 7.942
188 HG23 VAL 24 HG23 VAL 24 19.160 14.040 9.364
189 H LYS 25 H LYS 25 19.479 16.206 12.762
190 HA LYS 25 HA LYS 25 19.537 13.375 13.522
191 HB2 LYS 25 HB2 LYS 25 20.482 14.769 15.204
192 HB3 LYS 25 HB3 LYS 25 19.148 15.910 15.106
193 HG2 LYS 25 HG2 LYS 25 17.649 14.332 16.116
194 HG3 LYS 25 HG3 LYS 25 18.884 13.072 16.075
195 HD2 LYS 25 HD2 LYS 25 19.261 13.729 18.199
196 HD3 LYS 25 HD3 LYS 25 20.197 15.011 17.428
197 HE2 LYS 25 HE2 LYS 25 17.273 15.401 17.875
198 HE3 LYS 25 HE3 LYS 25 18.382 15.576 19.234
199 HZ1 LYS 25 HZ1 LYS 25 19.502 16.990 17.144
200 HZ2 LYS 25 HZ2 LYS 25 18.767 17.625 18.528
201 HZ3 LYS 25 HZ3 LYS 25 17.858 17.386 17.122
202 H LEU 26 H LEU 26 17.744 12.174 13.605
203 HA LEU 26 HA LEU 26 15.247 13.317 12.729
204 HB2 LEU 26 HB2 LEU 26 15.757 10.502 13.665
205 HB3 LEU 26 HB3 LEU 26 14.430 11.075 12.656
206 HG LEU 26 HG LEU 26 15.747 10.066 11.083
207 HD11 LEU 26 HD11 LEU 26 17.310 12.595 10.999
208 HD12 LEU 26 HD12 LEU 26 15.558 12.678 10.828
209 HD13 LEU 26 HD13 LEU 26 16.509 11.715 9.697
210 HD21 LEU 26 HD21 LEU 26 17.834 9.374 11.453
211 HD22 LEU 26 HD22 LEU 26 17.663 10.060 13.069
212 HD23 LEU 26 HD23 LEU 26 18.405 11.010 11.781
213 H GLU 27 H GLU 27 13.662 11.345 14.280
214 HA GLU 27 HA GLU 27 13.197 13.032 16.589
215 HB2 GLU 27 HB2 GLU 27 11.201 11.652 16.932
216 HB3 GLU 27 HB3 GLU 27 11.289 12.248 15.281
217 HG2 GLU 27 HG2 GLU 27 12.183 10.066 14.570
218 HG3 GLU 27 HG3 GLU 27 11.994 9.478 16.221
219 H ASN 28 H ASN 28 14.250 9.737 15.899
220 HA ASN 28 HA ASN 28 14.266 8.782 18.544
221 HB2 ASN 28 HB2 ASN 28 16.166 7.911 16.364
222 HB3 ASN 28 HB3 ASN 28 15.581 6.961 17.727
223 HD21 ASN 28 HD21 ASN 28 12.900 7.508 17.660
224 HD22 ASN 28 HD22 ASN 28 12.216 6.869 16.207
225 H GLY 29 H GLY 29 16.260 11.051 16.976
226 HA2 GLY 29 HA2 GLY 29 17.749 12.422 18.256
227 HA3 GLY 29 HA3 GLY 29 18.066 11.043 19.297
228 H HIS 30 H HIS 30 18.217 9.448 16.641
229 HA HIS 30 HA HIS 30 21.055 9.506 16.455
230 HB2 HIS 30 HB2 HIS 30 19.031 8.163 14.651
231 HB3 HIS 30 HB3 HIS 30 20.762 7.837 14.669
232 HD1 HIS 30 HD1 HIS 30 21.611 7.050 17.225
233 HD2 HIS 30 HD2 HIS 30 17.646 6.410 16.160
234 HE1 HIS 30 HE1 HIS 30 20.769 5.279 18.800
235 H VAL 31 H VAL 31 22.386 10.317 14.882
236 HA VAL 31 HA VAL 31 21.173 12.312 13.105
237 HB VAL 31 HB VAL 31 23.480 13.205 12.872
238 HG11 VAL 31 HG11 VAL 31 22.389 14.452 14.428
239 HG12 VAL 31 HG12 VAL 31 22.017 13.059 15.446
240 HG13 VAL 31 HG13 VAL 31 23.634 13.762 15.469
241 HG21 VAL 31 HG21 VAL 31 24.142 10.724 14.121
242 HG22 VAL 31 HG22 VAL 31 25.219 11.946 13.445
243 HG23 VAL 31 HG23 VAL 31 24.715 12.050 15.132
244 H VAL 32 H VAL 32 21.074 11.982 10.985
245 HA VAL 32 HA VAL 32 22.568 9.723 9.849
246 HB VAL 32 HB VAL 32 20.978 9.765 8.007
247 HG11 VAL 32 HG11 VAL 32 18.846 9.380 9.407
248 HG12 VAL 32 HG12 VAL 32 20.249 8.351 9.705
249 HG13 VAL 32 HG13 VAL 32 19.887 9.689 10.796
250 HG21 VAL 32 HG21 VAL 32 18.938 11.462 8.899
251 HG22 VAL 32 HG22 VAL 32 20.427 12.401 9.020
252 HG23 VAL 32 HG23 VAL 32 19.965 11.674 7.480
253 H LEU 33 H LEU 33 23.935 9.959 8.137
254 HA LEU 33 HA LEU 33 24.606 12.721 7.394
255 HB2 LEU 33 HB2 LEU 33 26.484 11.648 8.321
256 HB3 LEU 33 HB3 LEU 33 26.184 10.167 7.415
257 HG LEU 33 HG LEU 33 26.795 11.391 5.334
258 HD11 LEU 33 HD11 LEU 33 28.153 13.507 6.861
259 HD12 LEU 33 HD12 LEU 33 26.399 13.650 6.753
260 HD13 LEU 33 HD13 LEU 33 27.368 13.565 5.282
261 HD21 LEU 33 HD21 LEU 33 28.433 9.986 6.381
262 HD22 LEU 33 HD22 LEU 33 28.838 11.247 7.546
263 HD23 LEU 33 HD23 LEU 33 29.229 11.464 5.839
264 H GLY 34 H GLY 34 24.486 13.413 5.328
265 HA2 GLY 34 HA2 GLY 34 24.352 11.558 3.117
266 HA3 GLY 34 HA3 GLY 34 22.830 12.368 3.458
267 H HIS 35 H HIS 35 23.415 12.978 1.110
268 HA HIS 35 HA HIS 35 24.861 15.543 1.194
269 HB2 HIS 35 HB2 HIS 35 25.657 15.167 -1.064
270 HB3 HIS 35 HB3 HIS 35 26.131 13.806 -0.050
271 HD1 HIS 35 HD1 HIS 35 24.293 11.709 -0.230
272 HD2 HIS 35 HD2 HIS 35 24.554 14.384 -3.398
273 HE1 HIS 35 HE1 HIS 35 23.280 10.519 -2.200
274 H ILE 36 H ILE 36 23.998 17.245 0.005
275 HA ILE 36 HA ILE 36 21.184 16.886 -0.746
276 HB ILE 36 HB ILE 36 21.718 18.610 0.961
277 HG12 ILE 36 HG12 ILE 36 19.858 18.708 -0.947
278 HG13 ILE 36 HG13 ILE 36 20.061 20.008 0.221
279 HG21 ILE 36 HG21 ILE 36 23.224 19.861 -1.327
280 HG22 ILE 36 HG22 ILE 36 22.751 20.736 0.129
281 HG23 ILE 36 HG23 ILE 36 23.859 19.369 0.243
282 HD11 ILE 36 HD11 ILE 36 21.530 20.090 -2.374
283 HD12 ILE 36 HD12 ILE 36 19.833 20.565 -2.290
284 HD13 ILE 36 HD13 ILE 36 21.036 21.415 -1.320
285 H SER 37 H SER 37 20.384 17.562 -2.719
286 HA SER 37 HA SER 37 22.241 18.647 -4.691
287 HB2 SER 37 HB2 SER 37 20.641 16.139 -5.245
288 HB3 SER 37 HB3 SER 37 21.780 16.932 -6.333
289 HG SER 37 HG SER 37 22.382 15.675 -3.860
290 H GLY 38 H GLY 38 21.213 19.598 -6.515
291 HA2 GLY 38 HA2 GLY 38 18.657 19.631 -7.341
292 HA3 GLY 38 HA3 GLY 38 18.569 20.613 -5.886
293 H LYS 39 H LYS 39 17.797 21.913 -7.999
294 HA LYS 39 HA LYS 39 19.960 23.185 -9.413
295 HB2 LYS 39 HB2 LYS 39 16.996 23.774 -9.326
296 HB3 LYS 39 HB3 LYS 39 18.141 24.599 -10.376
297 HG2 LYS 39 HG2 LYS 39 18.720 22.223 -11.213
298 HG3 LYS 39 HG3 LYS 39 17.176 21.774 -10.486
299 HD2 LYS 39 HD2 LYS 39 17.538 23.978 -12.514
300 HD3 LYS 39 HD3 LYS 39 17.014 22.337 -12.901
301 HE2 LYS 39 HE2 LYS 39 15.587 24.161 -10.971
302 HE3 LYS 39 HE3 LYS 39 15.158 23.994 -12.672
303 HZ1 LYS 39 HZ1 LYS 39 15.230 21.716 -10.774
304 HZ2 LYS 39 HZ2 LYS 39 14.599 21.726 -12.343
305 HZ3 LYS 39 HZ3 LYS 39 13.829 22.601 -11.117
306 H MET 40 H MET 40 18.250 23.712 -6.487
307 HA MET 40 HA MET 40 18.856 26.538 -6.339
308 HB2 MET 40 HB2 MET 40 16.802 25.793 -5.323
309 HB3 MET 40 HB3 MET 40 17.660 24.609 -4.346
310 HG2 MET 40 HG2 MET 40 17.003 26.539 -3.027
311 HG3 MET 40 HG3 MET 40 18.756 26.388 -3.114
312 HE1 MET 40 HE1 MET 40 18.346 29.598 -2.331
313 HE2 MET 40 HE2 MET 40 16.850 30.057 -3.144
314 HE3 MET 40 HE3 MET 40 16.914 28.580 -2.181
315 H ARG 41 H ARG 41 20.375 23.579 -5.530
316 HA ARG 41 HA ARG 41 22.056 24.644 -3.450
317 HB2 ARG 41 HB2 ARG 41 21.473 22.284 -3.423
318 HB3 ARG 41 HB3 ARG 41 22.196 22.060 -5.011
319 HG2 ARG 41 HG2 ARG 41 23.986 23.176 -2.964
320 HG3 ARG 41 HG3 ARG 41 23.441 21.522 -2.681
321 HD2 ARG 41 HD2 ARG 41 24.146 21.000 -5.038
322 HD3 ARG 41 HD3 ARG 41 24.888 22.599 -5.092
323 HE ARG 41 HE ARG 41 25.740 20.982 -2.868
324 HH11 ARG 41 HH11 ARG 41 26.301 21.814 -6.202
325 HH12 ARG 41 HH12 ARG 41 27.964 21.328 -6.179
326 HH21 ARG 41 HH21 ARG 41 27.928 20.339 -2.825
327 HH22 ARG 41 HH22 ARG 41 28.888 20.489 -4.258
328 H MET 42 H MET 42 22.078 24.642 -6.857
329 HA MET 42 HA MET 42 24.959 24.948 -7.080
330 HB2 MET 42 HB2 MET 42 22.706 24.541 -8.946
331 HB3 MET 42 HB3 MET 42 24.020 25.536 -9.556
332 HG2 MET 42 HG2 MET 42 24.521 23.353 -10.230
333 HG3 MET 42 HG3 MET 42 25.578 23.674 -8.857
334 HE1 MET 42 HE1 MET 42 22.857 20.204 -9.392
335 HE2 MET 42 HE2 MET 42 22.835 21.642 -10.412
336 HE3 MET 42 HE3 MET 42 24.318 20.701 -10.247
337 H HIS 43 H HIS 43 22.765 26.909 -5.905
338 HA HIS 43 HA HIS 43 23.664 29.306 -7.350
339 HB2 HIS 43 HB2 HIS 43 21.217 28.670 -5.744
340 HB3 HIS 43 HB3 HIS 43 21.745 30.344 -5.890
341 HD1 HIS 43 HD1 HIS 43 21.698 27.666 -8.582
342 HD2 HIS 43 HD2 HIS 43 19.987 31.347 -7.700
343 HE1 HIS 43 HE1 HIS 43 20.365 28.294 -10.621
344 H TYR 44 H TYR 44 25.138 27.754 -5.251
345 HA TYR 44 HA TYR 44 26.511 28.176 -3.488
346 HB2 TYR 44 HB2 TYR 44 25.901 31.101 -3.907
347 HB3 TYR 44 HB3 TYR 44 27.350 30.391 -3.205
348 HD1 TYR 44 HD2 TYR 44 28.866 29.021 -4.723
349 HD2 TYR 44 HD1 TYR 44 25.770 31.531 -6.211
350 HE1 TYR 44 HE2 TYR 44 29.949 29.037 -6.931
351 HE2 TYR 44 HE1 TYR 44 26.844 31.554 -8.424
352 HH TYR 44 HH TYR 44 28.998 29.434 -9.443
353 H ILE 45 H ILE 45 24.447 27.223 -2.439
354 HA ILE 45 HA ILE 45 22.791 28.920 -0.883
355 HB ILE 45 HB ILE 45 22.105 26.872 0.295
356 HG12 ILE 45 HG12 ILE 45 23.163 24.730 -0.899
357 HG13 ILE 45 HG13 ILE 45 24.541 25.814 -1.053
358 HG21 ILE 45 HG21 ILE 45 20.946 27.342 -1.717
359 HG22 ILE 45 HG22 ILE 45 22.278 26.742 -2.705
360 HG23 ILE 45 HG23 ILE 45 21.317 25.618 -1.744
361 HD11 ILE 45 HD11 ILE 45 24.125 24.222 1.058
362 HD12 ILE 45 HD12 ILE 45 24.999 25.752 1.147
363 HD13 ILE 45 HD13 ILE 45 23.300 25.678 1.612
364 H ARG 46 H ARG 46 22.690 28.185 1.631
365 HA ARG 46 HA ARG 46 25.300 28.062 2.859
366 HB2 ARG 46 HB2 ARG 46 23.646 30.569 2.871
367 HB3 ARG 46 HB3 ARG 46 24.717 30.196 4.215
368 HG2 ARG 46 HG2 ARG 46 26.589 30.025 2.569
369 HG3 ARG 46 HG3 ARG 46 25.477 30.629 1.339
370 HD2 ARG 46 HD2 ARG 46 25.872 32.125 3.901
371 HD3 ARG 46 HD3 ARG 46 27.028 32.294 2.581
372 HE ARG 46 HE ARG 46 24.421 32.671 1.594
373 HH11 ARG 46 HH11 ARG 46 26.794 34.229 3.610
374 HH12 ARG 46 HH12 ARG 46 26.231 35.830 3.260
375 HH21 ARG 46 HH21 ARG 46 23.670 34.774 1.126
376 HH22 ARG 46 HH22 ARG 46 24.453 36.139 1.848
377 H ILE 47 H ILE 47 23.956 26.090 3.403
378 HA ILE 47 HA ILE 47 21.788 26.350 5.235
379 HB ILE 47 HB ILE 47 23.549 23.962 4.667
380 HG12 ILE 47 HG12 ILE 47 20.763 24.067 3.694
381 HG13 ILE 47 HG13 ILE 47 21.870 25.198 2.923
382 HG21 ILE 47 HG21 ILE 47 21.468 22.743 5.545
383 HG22 ILE 47 HG22 ILE 47 22.545 23.497 6.719
384 HG23 ILE 47 HG23 ILE 47 21.037 24.292 6.268
385 HD11 ILE 47 HD11 ILE 47 23.330 22.925 2.850
386 HD12 ILE 47 HD12 ILE 47 21.693 22.284 2.708
387 HD13 ILE 47 HD13 ILE 47 22.275 23.481 1.551
388 H LEU 48 H LEU 48 21.741 26.104 7.448
389 HA LEU 48 HA LEU 48 24.345 26.035 8.820
390 HB2 LEU 48 HB2 LEU 48 23.815 27.803 10.186
391 HB3 LEU 48 HB3 LEU 48 23.100 28.305 8.656
392 HG LEU 48 HG LEU 48 21.597 27.097 10.978
393 HD11 LEU 48 HD11 LEU 48 20.613 29.384 11.132
394 HD12 LEU 48 HD12 LEU 48 21.846 29.934 9.998
395 HD13 LEU 48 HD13 LEU 48 22.318 29.294 11.573
396 HD21 LEU 48 HD21 LEU 48 19.747 28.272 9.405
397 HD22 LEU 48 HD22 LEU 48 20.173 26.563 9.317
398 HD23 LEU 48 HD23 LEU 48 20.892 27.711 8.186
399 HA PRO 49 HA PRO 49 22.709 22.861 11.373
400 HB2 PRO 49 HB2 PRO 49 23.970 23.365 13.724
401 HB3 PRO 49 HB3 PRO 49 24.800 22.700 12.312
402 HG2 PRO 49 HG2 PRO 49 24.716 25.523 13.304
403 HG3 PRO 49 HG3 PRO 49 26.095 24.594 12.689
404 HD2 PRO 49 HD2 PRO 49 24.765 26.401 11.175
405 HD3 PRO 49 HD3 PRO 49 25.510 24.944 10.487
406 H GLY 50 H GLY 50 20.685 22.784 12.114
407 HA2 GLY 50 HA2 GLY 50 19.373 23.195 14.196
408 HA3 GLY 50 HA3 GLY 50 19.816 24.884 14.004
409 H ASP 51 H ASP 51 19.255 23.417 11.029
410 HA ASP 51 HA ASP 51 16.619 24.699 10.878
411 HB2 ASP 51 HB2 ASP 51 18.343 25.446 9.265
412 HB3 ASP 51 HB3 ASP 51 18.444 23.804 8.637
413 H LYS 52 H LYS 52 14.809 23.611 10.218
414 HA LYS 52 HA LYS 52 14.855 20.748 10.532
415 HB2 LYS 52 HB2 LYS 52 13.012 22.568 11.181
416 HB3 LYS 52 HB3 LYS 52 12.409 22.153 9.582
417 HG2 LYS 52 HG2 LYS 52 11.866 20.011 10.189
418 HG3 LYS 52 HG3 LYS 52 13.057 19.962 11.491
419 HD2 LYS 52 HD2 LYS 52 10.878 21.941 11.769
420 HD3 LYS 52 HD3 LYS 52 10.421 20.242 11.914
421 HE2 LYS 52 HE2 LYS 52 12.242 19.978 13.601
422 HE3 LYS 52 HE3 LYS 52 12.492 21.721 13.531
423 HZ1 LYS 52 HZ1 LYS 52 9.760 21.201 13.937
424 HZ2 LYS 52 HZ2 LYS 52 10.845 21.997 14.962
425 HZ3 LYS 52 HZ3 LYS 52 10.648 20.321 15.077
426 H VAL 53 H VAL 53 15.196 19.348 8.948
427 HA VAL 53 HA VAL 53 14.236 19.968 6.250
428 HB VAL 53 HB VAL 53 16.286 19.241 5.203
429 HG11 VAL 53 HG11 VAL 53 17.604 21.135 5.600
430 HG12 VAL 53 HG12 VAL 53 15.971 21.637 6.044
431 HG13 VAL 53 HG13 VAL 53 17.136 21.214 7.299
432 HG21 VAL 53 HG21 VAL 53 18.325 18.876 6.650
433 HG22 VAL 53 HG22 VAL 53 17.224 18.757 8.022
434 HG23 VAL 53 HG23 VAL 53 17.110 17.598 6.698
435 H THR 54 H THR 54 14.172 18.049 4.841
436 HA THR 54 HA THR 54 13.445 15.680 6.406
437 HB THR 54 HB THR 54 12.878 16.152 3.479
438 HG1 THR 54 HG1 THR 54 11.347 17.474 4.077
439 HG21 THR 54 HG21 THR 54 11.134 14.491 3.811
440 HG22 THR 54 HG22 THR 54 11.547 14.369 5.521
441 HG23 THR 54 HG23 THR 54 12.695 13.832 4.296
442 H VAL 55 H VAL 55 14.257 13.640 5.961
443 HA VAL 55 HA VAL 55 16.385 13.418 3.960
444 HB VAL 55 HB VAL 55 17.724 12.084 5.677
445 HG11 VAL 55 HG11 VAL 55 18.960 13.969 6.303
446 HG12 VAL 55 HG12 VAL 55 18.163 14.450 4.804
447 HG13 VAL 55 HG13 VAL 55 17.530 15.000 6.356
448 HG21 VAL 55 HG21 VAL 55 17.067 11.949 7.804
449 HG22 VAL 55 HG22 VAL 55 16.718 13.675 7.886
450 HG23 VAL 55 HG23 VAL 55 15.504 12.559 7.260
451 H GLU 56 H GLU 56 16.458 11.484 2.945
452 HA GLU 56 HA GLU 56 14.461 9.496 3.756
453 HB2 GLU 56 HB2 GLU 56 15.213 10.577 1.254
454 HB3 GLU 56 HB3 GLU 56 15.706 8.889 1.242
455 HG2 GLU 56 HG2 GLU 56 13.305 8.460 2.139
456 HG3 GLU 56 HG3 GLU 56 12.975 10.060 1.476
457 H LEU 57 H LEU 57 15.117 7.748 4.802
458 HA LEU 57 HA LEU 57 17.854 6.766 4.329
459 HB2 LEU 57 HB2 LEU 57 17.623 7.766 6.547
460 HB3 LEU 57 HB3 LEU 57 16.270 6.691 6.894
461 HG LEU 57 HG LEU 57 18.128 4.848 6.379
462 HD11 LEU 57 HD11 LEU 57 20.153 5.939 7.766
463 HD12 LEU 57 HD12 LEU 57 19.601 7.354 6.870
464 HD13 LEU 57 HD13 LEU 57 20.088 5.897 6.004
465 HD21 LEU 57 HD21 LEU 57 18.464 5.934 9.073
466 HD22 LEU 57 HD22 LEU 57 17.872 4.358 8.548
467 HD23 LEU 57 HD23 LEU 57 16.781 5.745 8.579
468 H THR 58 H THR 58 18.114 4.634 3.918
469 HA THR 58 HA THR 58 15.668 3.043 3.638
470 HB THR 58 HB THR 58 17.437 1.481 2.427
471 HG1 THR 58 HG1 THR 58 19.256 2.453 1.916
472 HG21 THR 58 HG21 THR 58 15.726 3.674 1.565
473 HG22 THR 58 HG22 THR 58 15.939 2.067 0.869
474 HG23 THR 58 HG23 THR 58 17.053 3.367 0.445
475 HA PRO 59 HA PRO 59 16.650 0.236 6.866
476 HB2 PRO 59 HB2 PRO 59 15.880 -2.144 5.811
477 HB3 PRO 59 HB3 PRO 59 14.730 -0.904 6.324
478 HG2 PRO 59 HG2 PRO 59 15.728 -1.540 3.574
479 HG3 PRO 59 HG3 PRO 59 14.078 -1.169 4.108
480 HD2 PRO 59 HD2 PRO 59 15.668 0.666 2.910
481 HD3 PRO 59 HD3 PRO 59 14.463 1.103 4.138
482 H TYR 60 H TYR 60 18.020 -0.323 3.710
483 HA TYR 60 HA TYR 60 19.692 -2.486 4.224
484 HB2 TYR 60 HB2 TYR 60 20.335 -0.122 2.452
485 HB3 TYR 60 HB3 TYR 60 21.008 -1.744 2.330
486 HD1 TYR 60 HD2 TYR 60 18.992 -3.610 2.235
487 HD2 TYR 60 HD1 TYR 60 18.790 0.403 0.835
488 HE1 TYR 60 HE2 TYR 60 17.187 -4.246 0.691
489 HE2 TYR 60 HE1 TYR 60 16.983 -0.222 -0.712
490 HH TYR 60 HH TYR 60 15.890 -3.581 -1.000
491 H ASP 61 H ASP 61 19.911 0.802 5.265
492 HA ASP 61 HA ASP 61 21.943 0.244 7.143
493 HB2 ASP 61 HB2 ASP 61 23.243 0.339 4.938
494 HB3 ASP 61 HB3 ASP 61 22.886 2.063 4.932
495 H LEU 62 H LEU 62 21.607 1.593 8.779
496 HA LEU 62 HA LEU 62 20.043 4.012 8.309
497 HB2 LEU 62 HB2 LEU 62 19.652 4.036 10.676
498 HB3 LEU 62 HB3 LEU 62 19.343 2.417 10.052
499 HG LEU 62 HG LEU 62 22.033 2.943 11.187
500 HD11 LEU 62 HD11 LEU 62 19.495 3.015 12.752
501 HD12 LEU 62 HD12 LEU 62 20.972 3.956 12.957
502 HD13 LEU 62 HD13 LEU 62 20.929 2.264 13.451
503 HD21 LEU 62 HD21 LEU 62 20.501 0.729 10.370
504 HD22 LEU 62 HD22 LEU 62 20.676 0.603 12.121
505 HD23 LEU 62 HD23 LEU 62 22.107 0.728 11.097
506 H SER 63 H SER 63 23.029 3.613 7.794
507 HA SER 63 HA SER 63 23.956 5.924 9.372
508 HB2 SER 63 HB2 SER 63 26.059 4.996 9.608
509 HB3 SER 63 HB3 SER 63 25.068 3.538 9.626
510 HG SER 63 HG SER 63 25.915 2.950 7.790
511 H ARG 64 H ARG 64 22.568 5.745 6.724
512 HA ARG 64 HA ARG 64 24.104 7.720 5.378
513 HB2 ARG 64 HB2 ARG 64 24.453 6.420 3.267
514 HB3 ARG 64 HB3 ARG 64 25.455 5.895 4.614
515 HG2 ARG 64 HG2 ARG 64 23.680 4.118 5.030
516 HG3 ARG 64 HG3 ARG 64 23.056 4.538 3.434
517 HD2 ARG 64 HD2 ARG 64 25.866 3.626 4.040
518 HD3 ARG 64 HD3 ARG 64 24.590 2.625 3.349
519 HE ARG 64 HE ARG 64 26.214 4.533 1.974
520 HH11 ARG 64 HH11 ARG 64 23.091 2.996 2.017
521 HH12 ARG 64 HH12 ARG 64 22.814 3.216 0.321
522 HH21 ARG 64 HH21 ARG 64 25.861 4.830 -0.260
523 HH22 ARG 64 HH22 ARG 64 24.390 4.259 -0.973
524 H ALA 65 H ALA 65 22.539 9.040 4.748
525 HA ALA 65 HA ALA 65 20.221 7.914 3.339
526 HB1 ALA 65 HB1 ALA 65 20.217 9.502 5.821
527 HB2 ALA 65 HB2 ALA 65 19.043 9.983 4.596
528 HB3 ALA 65 HB3 ALA 65 19.044 8.332 5.216
529 H ARG 66 H ARG 66 18.919 9.781 2.301
530 HA ARG 66 HA ARG 66 20.857 11.508 0.933
531 HB2 ARG 66 HB2 ARG 66 19.174 11.712 -0.829
532 HB3 ARG 66 HB3 ARG 66 19.528 10.023 -0.493
533 HG2 ARG 66 HG2 ARG 66 17.484 9.897 0.879
534 HG3 ARG 66 HG3 ARG 66 17.119 11.567 0.441
535 HD2 ARG 66 HD2 ARG 66 17.236 9.154 -1.351
536 HD3 ARG 66 HD3 ARG 66 15.854 10.197 -1.018
537 HE ARG 66 HE ARG 66 17.970 10.666 -2.913
538 HH11 ARG 66 HH11 ARG 66 15.473 12.120 -0.971
539 HH12 ARG 66 HH12 ARG 66 15.325 13.522 -1.978
540 HH21 ARG 66 HH21 ARG 66 17.785 12.508 -4.246
541 HH22 ARG 66 HH22 ARG 66 16.640 13.741 -3.841
542 H ILE 67 H ILE 67 20.786 13.670 1.087
543 HA ILE 67 HA ILE 67 19.079 14.873 3.048
544 HB ILE 67 HB ILE 67 21.007 16.165 1.116
545 HG12 ILE 67 HG12 ILE 67 22.035 14.551 2.704
546 HG13 ILE 67 HG13 ILE 67 22.567 16.207 2.971
547 HG21 ILE 67 HG21 ILE 67 20.913 17.962 2.998
548 HG22 ILE 67 HG22 ILE 67 19.657 17.919 1.762
549 HG23 ILE 67 HG23 ILE 67 19.348 17.233 3.357
550 HD11 ILE 67 HD11 ILE 67 21.794 16.211 5.050
551 HD12 ILE 67 HD12 ILE 67 20.241 15.533 4.560
552 HD13 ILE 67 HD13 ILE 67 21.610 14.466 4.874
553 H VAL 68 H VAL 68 17.182 15.849 2.762
554 HA VAL 68 HA VAL 68 16.338 16.469 0.006
555 HB VAL 68 HB VAL 68 14.412 15.929 2.248
556 HG11 VAL 68 HG11 VAL 68 14.295 16.171 -0.715
557 HG12 VAL 68 HG12 VAL 68 13.152 15.093 0.089
558 HG13 VAL 68 HG13 VAL 68 13.201 16.804 0.514
559 HG21 VAL 68 HG21 VAL 68 14.262 13.601 1.455
560 HG22 VAL 68 HG22 VAL 68 15.638 13.890 0.392
561 HG23 VAL 68 HG23 VAL 68 15.843 13.975 2.141
562 H PHE 69 H PHE 69 14.739 18.232 -0.176
563 HA PHE 69 HA PHE 69 15.646 20.625 0.825
564 HB2 PHE 69 HB2 PHE 69 13.014 19.758 -0.309
565 HB3 PHE 69 HB3 PHE 69 13.175 21.383 0.349
566 HD1 PHE 69 HD2 PHE 69 14.196 19.099 -2.312
567 HD2 PHE 69 HD1 PHE 69 14.562 23.035 -0.734
568 HE1 PHE 69 HE2 PHE 69 15.184 19.854 -4.435
569 HE2 PHE 69 HE1 PHE 69 15.550 23.797 -2.855
570 HZ PHE 69 HZ PHE 69 15.863 22.206 -4.708
571 H ARG 70 H ARG 70 14.453 22.181 2.246
572 HA ARG 70 HA ARG 70 14.385 21.343 4.863
573 HB2 ARG 70 HB2 ARG 70 13.287 23.428 5.397
574 HB3 ARG 70 HB3 ARG 70 14.463 23.709 4.121
575 HG2 ARG 70 HG2 ARG 70 12.643 23.651 2.464
576 HG3 ARG 70 HG3 ARG 70 11.484 23.449 3.779
577 HD2 ARG 70 HD2 ARG 70 11.945 25.594 4.646
578 HD3 ARG 70 HD3 ARG 70 13.400 25.761 3.665
579 HE ARG 70 HE ARG 70 11.297 25.480 1.896
580 HH11 ARG 70 HH11 ARG 70 12.256 27.706 4.395
581 HH12 ARG 70 HH12 ARG 70 11.487 29.071 3.655
582 HH21 ARG 70 HH21 ARG 70 10.281 27.270 0.912
583 HH22 ARG 70 HH22 ARG 70 10.363 28.822 1.674
584 H ALA 71 H ALA 71 12.596 21.149 6.380
585 HA ALA 71 HA ALA 71 10.384 19.637 5.195
586 HB1 ALA 71 HB1 ALA 71 10.007 19.063 7.699
587 HB2 ALA 71 HB2 ALA 71 11.349 18.318 6.828
588 HB3 ALA 71 HB3 ALA 71 11.646 19.684 7.904
589 H LYS 72 H LYS 72 8.279 20.214 5.406
590 HA LYS 72 HA LYS 72 7.753 22.822 6.665
591 HB2 LYS 72 HB2 LYS 72 6.447 21.405 4.349
592 HB3 LYS 72 HB3 LYS 72 5.678 22.761 5.163
593 HG2 LYS 72 HG2 LYS 72 7.216 24.281 4.382
594 HG3 LYS 72 HG3 LYS 72 8.467 23.057 4.151
595 HD2 LYS 72 HD2 LYS 72 7.687 23.760 1.994
596 HD3 LYS 72 HD3 LYS 72 7.111 22.117 2.284
597 HE2 LYS 72 HE2 LYS 72 5.387 23.583 1.293
598 HE3 LYS 72 HE3 LYS 72 4.921 22.940 2.867
599 HZ1 LYS 72 HZ1 LYS 72 4.698 25.497 2.230
600 HZ2 LYS 72 HZ2 LYS 72 6.265 25.522 2.866
601 HZ3 LYS 72 HZ3 LYS 72 4.977 24.972 3.815
Start of MODEL 6
1 H1 MET 1 H MET 1 10.786 -5.789 -4.418
2 HA MET 1 HA MET 1 9.751 -4.089 -2.994
3 HB2 MET 1 HB2 MET 1 7.403 -4.437 -3.555
4 HB3 MET 1 HB3 MET 1 8.431 -4.848 -4.921
5 HG2 MET 1 HG2 MET 1 7.635 -7.021 -3.063
6 HG3 MET 1 HG3 MET 1 6.425 -6.380 -4.172
7 HE1 MET 1 HE1 MET 1 7.913 -6.010 -7.145
8 HE2 MET 1 HE2 MET 1 7.214 -7.588 -7.510
9 HE3 MET 1 HE3 MET 1 6.354 -6.465 -6.455
10 H ALA 2 H ALA 2 10.868 -5.975 -1.174
11 HA ALA 2 HA ALA 2 8.812 -5.864 0.902
12 HB1 ALA 2 HB1 ALA 2 10.177 -8.344 -0.054
13 HB2 ALA 2 HB2 ALA 2 9.691 -8.198 1.636
14 HB3 ALA 2 HB3 ALA 2 8.482 -8.083 0.357
15 H LYS 3 H LYS 3 9.620 -5.737 3.017
16 HA LYS 3 HA LYS 3 11.067 -5.081 4.644
17 HB2 LYS 3 HB2 LYS 3 13.157 -6.478 2.965
18 HB3 LYS 3 HB3 LYS 3 13.281 -6.081 4.674
19 HG2 LYS 3 HG2 LYS 3 11.265 -7.572 5.025
20 HG3 LYS 3 HG3 LYS 3 11.511 -8.123 3.366
21 HD2 LYS 3 HD2 LYS 3 13.778 -8.840 3.938
22 HD3 LYS 3 HD3 LYS 3 13.541 -8.278 5.595
23 HE2 LYS 3 HE2 LYS 3 11.829 -9.910 5.970
24 HE3 LYS 3 HE3 LYS 3 11.829 -10.373 4.269
25 HZ1 LYS 3 HZ1 LYS 3 14.199 -11.059 4.613
26 HZ2 LYS 3 HZ2 LYS 3 13.054 -12.004 5.423
27 HZ3 LYS 3 HZ3 LYS 3 13.956 -10.854 6.274
28 H ASP 4 H ASP 4 10.636 -3.418 2.227
29 HA ASP 4 HA ASP 4 12.907 -2.124 1.325
30 HB2 ASP 4 HB2 ASP 4 11.413 -0.147 0.964
31 HB3 ASP 4 HB3 ASP 4 10.768 -1.658 0.328
32 H ASP 5 H ASP 5 13.992 -0.226 1.952
33 HA ASP 5 HA ASP 5 13.617 0.569 4.762
34 HB2 ASP 5 HB2 ASP 5 16.127 -0.244 3.341
35 HB3 ASP 5 HB3 ASP 5 16.212 0.931 4.650
36 H VAL 6 H VAL 6 12.352 2.044 2.984
37 HA VAL 6 HA VAL 6 14.036 4.444 2.709
38 HB VAL 6 HB VAL 6 12.691 5.029 0.672
39 HG11 VAL 6 HG11 VAL 6 14.690 4.393 -0.120
40 HG12 VAL 6 HG12 VAL 6 14.750 2.960 0.908
41 HG13 VAL 6 HG13 VAL 6 13.853 2.921 -0.610
42 HG21 VAL 6 HG21 VAL 6 12.001 2.359 -0.081
43 HG22 VAL 6 HG22 VAL 6 11.222 2.751 1.451
44 HG23 VAL 6 HG23 VAL 6 10.964 3.780 0.042
45 H ILE 7 H ILE 7 13.275 6.058 3.890
46 HA ILE 7 HA ILE 7 10.418 6.578 3.998
47 HB ILE 7 HB ILE 7 10.385 6.778 6.453
48 HG12 ILE 7 HG12 ILE 7 12.481 5.185 7.315
49 HG13 ILE 7 HG13 ILE 7 13.229 6.215 6.100
50 HG21 ILE 7 HG21 ILE 7 9.623 4.723 5.291
51 HG22 ILE 7 HG22 ILE 7 11.219 4.023 5.561
52 HG23 ILE 7 HG23 ILE 7 10.191 4.431 6.935
53 HD11 ILE 7 HD11 ILE 7 12.225 6.867 8.769
54 HD12 ILE 7 HD12 ILE 7 13.489 7.632 7.806
55 HD13 ILE 7 HD13 ILE 7 11.796 8.028 7.512
56 H GLN 8 H GLN 8 10.002 8.703 3.988
57 HA GLN 8 HA GLN 8 12.267 10.535 4.175
58 HB2 GLN 8 HB2 GLN 8 9.431 11.089 3.288
59 HB3 GLN 8 HB3 GLN 8 10.809 12.168 3.118
60 HG2 GLN 8 HG2 GLN 8 11.780 10.866 1.451
61 HG3 GLN 8 HG3 GLN 8 10.811 9.452 1.863
62 HE21 GLN 8 HE21 GLN 8 8.910 9.143 0.867
63 HE22 GLN 8 HE22 GLN 8 8.209 10.233 -0.275
64 H MET 9 H MET 9 12.560 11.938 5.796
65 HA MET 9 HA MET 9 10.334 12.530 7.602
66 HB2 MET 9 HB2 MET 9 12.929 11.233 8.339
67 HB3 MET 9 HB3 MET 9 12.145 12.307 9.489
68 HG2 MET 9 HG2 MET 9 10.698 10.008 8.221
69 HG3 MET 9 HG3 MET 9 11.666 9.819 9.681
70 HE1 MET 9 HE1 MET 9 7.650 9.972 9.560
71 HE2 MET 9 HE2 MET 9 9.044 8.913 9.350
72 HE3 MET 9 HE3 MET 9 8.435 9.259 10.970
73 H GLN 10 H GLN 10 10.939 14.317 9.158
74 HA GLN 10 HA GLN 10 12.525 16.316 7.702
75 HB2 GLN 10 HB2 GLN 10 10.603 16.913 9.938
76 HB3 GLN 10 HB3 GLN 10 11.197 17.997 8.686
77 HG2 GLN 10 HG2 GLN 10 9.416 15.635 8.147
78 HG3 GLN 10 HG3 GLN 10 8.826 17.274 8.421
79 HE21 GLN 10 HE21 GLN 10 10.283 15.097 6.206
80 HE22 GLN 10 HE22 GLN 10 10.333 16.162 4.847
81 H GLY 11 H GLY 11 14.583 16.048 8.439
82 HA2 GLY 11 HA2 GLY 11 15.032 15.906 11.332
83 HA3 GLY 11 HA3 GLY 11 16.228 15.588 10.084
84 H GLU 12 H GLU 12 17.246 17.061 11.915
85 HA GLU 12 HA GLU 12 17.215 19.784 10.815
86 HB2 GLU 12 HB2 GLU 12 15.904 19.851 12.867
87 HB3 GLU 12 HB3 GLU 12 17.203 19.062 13.750
88 HG2 GLU 12 HG2 GLU 12 18.532 20.947 13.750
89 HG3 GLU 12 HG3 GLU 12 17.711 21.652 12.359
90 H VAL 13 H VAL 13 19.181 20.732 10.597
91 HA VAL 13 HA VAL 13 21.491 19.123 10.609
92 HB VAL 13 HB VAL 13 21.223 22.127 10.464
93 HG11 VAL 13 HG11 VAL 13 23.444 21.600 11.225
94 HG12 VAL 13 HG12 VAL 13 23.623 20.369 9.974
95 HG13 VAL 13 HG13 VAL 13 23.519 22.072 9.528
96 HG21 VAL 13 HG21 VAL 13 21.659 21.742 8.050
97 HG22 VAL 13 HG22 VAL 13 21.564 20.006 8.346
98 HG23 VAL 13 HG23 VAL 13 20.149 21.025 8.612
99 H ILE 14 H ILE 14 22.899 18.639 12.161
100 HA ILE 14 HA ILE 14 22.866 20.255 14.627
101 HB ILE 14 HB ILE 14 21.900 17.976 14.918
102 HG12 ILE 14 HG12 ILE 14 23.338 17.379 16.893
103 HG13 ILE 14 HG13 ILE 14 24.480 18.610 16.364
104 HG21 ILE 14 HG21 ILE 14 24.704 17.046 14.312
105 HG22 ILE 14 HG22 ILE 14 23.362 16.035 14.844
106 HG23 ILE 14 HG23 ILE 14 23.301 16.823 13.268
107 HD11 ILE 14 HD11 ILE 14 22.625 19.094 18.177
108 HD12 ILE 14 HD12 ILE 14 23.144 20.322 17.023
109 HD13 ILE 14 HD13 ILE 14 21.655 19.420 16.741
110 H GLU 15 H GLU 15 24.779 18.571 12.244
111 HA GLU 15 HA GLU 15 27.136 20.029 13.130
112 HB2 GLU 15 HB2 GLU 15 26.757 17.219 13.631
113 HB3 GLU 15 HB3 GLU 15 28.105 17.453 12.528
114 HG2 GLU 15 HG2 GLU 15 29.279 17.679 14.421
115 HG3 GLU 15 HG3 GLU 15 28.671 19.333 14.367
116 H ASN 16 H ASN 16 28.861 20.029 11.537
117 HA ASN 16 HA ASN 16 27.881 19.429 8.822
118 HB2 ASN 16 HB2 ASN 16 29.375 21.376 8.120
119 HB3 ASN 16 HB3 ASN 16 27.901 21.791 8.990
120 HD21 ASN 16 HD21 ASN 16 28.051 22.949 10.800
121 HD22 ASN 16 HD22 ASN 16 29.528 23.371 11.589
122 H LEU 17 H LEU 17 29.331 18.587 7.339
123 HA LEU 17 HA LEU 17 32.043 17.994 8.278
124 HB2 LEU 17 HB2 LEU 17 29.900 16.069 7.651
125 HB3 LEU 17 HB3 LEU 17 31.481 15.708 6.959
126 HG LEU 17 HG LEU 17 32.246 16.124 9.471
127 HD11 LEU 17 HD11 LEU 17 29.422 16.167 9.666
128 HD12 LEU 17 HD12 LEU 17 30.614 16.234 10.963
129 HD13 LEU 17 HD13 LEU 17 29.993 14.676 10.416
130 HD21 LEU 17 HD21 LEU 17 31.757 13.604 9.803
131 HD22 LEU 17 HD22 LEU 17 32.825 14.106 8.493
132 HD23 LEU 17 HD23 LEU 17 31.150 13.674 8.149
133 HA PRO 18 HA PRO 18 33.355 18.964 4.206
134 HB2 PRO 18 HB2 PRO 18 35.348 17.170 3.782
135 HB3 PRO 18 HB3 PRO 18 35.505 18.535 4.894
136 HG2 PRO 18 HG2 PRO 18 34.882 15.668 5.490
137 HG3 PRO 18 HG3 PRO 18 35.973 16.777 6.342
138 HD2 PRO 18 HD2 PRO 18 33.482 16.210 7.238
139 HD3 PRO 18 HD3 PRO 18 34.251 17.790 7.491
140 H ASN 19 H ASN 19 34.205 17.614 2.107
141 HA ASN 19 HA ASN 19 33.580 16.358 0.316
142 HB2 ASN 19 HB2 ASN 19 33.041 14.646 2.639
143 HB3 ASN 19 HB3 ASN 19 32.086 14.236 1.217
144 HD21 ASN 19 HD21 ASN 19 35.004 13.832 2.770
145 HD22 ASN 19 HD22 ASN 19 35.912 13.162 1.462
146 H ALA 20 H ALA 20 31.745 18.384 1.646
147 HA ALA 20 HA ALA 20 29.720 19.325 1.205
148 HB1 ALA 20 HB1 ALA 20 28.861 17.508 -0.901
149 HB2 ALA 20 HB2 ALA 20 29.129 19.251 -0.946
150 HB3 ALA 20 HB3 ALA 20 30.486 18.145 -1.157
151 H THR 21 H THR 21 29.981 17.062 3.054
152 HA THR 21 HA THR 21 27.269 15.927 2.882
153 HB THR 21 HB THR 21 27.989 14.098 4.244
154 HG1 THR 21 HG1 THR 21 29.518 14.475 5.647
155 HG21 THR 21 HG21 THR 21 29.288 12.995 2.713
156 HG22 THR 21 HG22 THR 21 30.385 14.359 2.497
157 HG23 THR 21 HG23 THR 21 28.795 14.376 1.735
158 H PHE 22 H PHE 22 25.848 16.168 4.548
159 HA PHE 22 HA PHE 22 26.757 17.740 6.867
160 HB2 PHE 22 HB2 PHE 22 24.074 17.999 5.496
161 HB3 PHE 22 HB3 PHE 22 24.651 18.951 6.860
162 HD1 PHE 22 HD2 PHE 22 27.384 19.601 6.036
163 HD2 PHE 22 HD1 PHE 22 23.781 19.511 3.772
164 HE1 PHE 22 HE2 PHE 22 28.324 21.259 4.481
165 HE2 PHE 22 HE1 PHE 22 24.716 21.168 2.212
166 HZ PHE 22 HZ PHE 22 26.990 22.045 2.566
167 H ARG 23 H ARG 23 25.650 17.372 8.843
168 HA ARG 23 HA ARG 23 24.278 14.767 8.941
169 HB2 ARG 23 HB2 ARG 23 26.277 16.063 10.733
170 HB3 ARG 23 HB3 ARG 23 25.062 15.026 11.467
171 HG2 ARG 23 HG2 ARG 23 25.824 13.360 9.578
172 HG3 ARG 23 HG3 ARG 23 27.295 14.333 9.637
173 HD2 ARG 23 HD2 ARG 23 26.049 13.207 12.124
174 HD3 ARG 23 HD3 ARG 23 27.160 12.258 11.138
175 HE ARG 23 HE ARG 23 28.213 14.827 11.832
176 HH11 ARG 23 HH11 ARG 23 27.748 11.562 12.948
177 HH12 ARG 23 HH12 ARG 23 29.083 11.610 14.051
178 HH21 ARG 23 HH21 ARG 23 29.973 14.903 13.280
179 HH22 ARG 23 HH22 ARG 23 30.348 13.511 14.239
180 H VAL 24 H VAL 24 22.266 14.687 9.725
181 HA VAL 24 HA VAL 24 21.273 16.944 11.323
182 HB VAL 24 HB VAL 24 19.197 17.028 10.105
183 HG11 VAL 24 HG11 VAL 24 20.787 17.138 7.707
184 HG12 VAL 24 HG12 VAL 24 20.085 18.455 8.649
185 HG13 VAL 24 HG13 VAL 24 21.672 17.814 9.074
186 HG21 VAL 24 HG21 VAL 24 18.993 14.687 9.502
187 HG22 VAL 24 HG22 VAL 24 18.843 15.696 8.063
188 HG23 VAL 24 HG23 VAL 24 20.348 14.834 8.382
189 H LYS 25 H LYS 25 19.879 16.418 12.942
190 HA LYS 25 HA LYS 25 19.615 13.590 13.553
191 HB2 LYS 25 HB2 LYS 25 18.703 14.427 15.726
192 HB3 LYS 25 HB3 LYS 25 20.330 14.987 15.366
193 HG2 LYS 25 HG2 LYS 25 19.501 17.148 14.719
194 HG3 LYS 25 HG3 LYS 25 17.832 16.600 14.894
195 HD2 LYS 25 HD2 LYS 25 18.518 17.914 16.828
196 HD3 LYS 25 HD3 LYS 25 18.208 16.239 17.290
197 HE2 LYS 25 HE2 LYS 25 20.981 16.981 16.530
198 HE3 LYS 25 HE3 LYS 25 20.376 17.550 18.085
199 HZ1 LYS 25 HZ1 LYS 25 21.194 14.927 17.312
200 HZ2 LYS 25 HZ2 LYS 25 19.643 14.920 17.986
201 HZ3 LYS 25 HZ3 LYS 25 20.941 15.562 18.860
202 H LEU 26 H LEU 26 17.816 12.427 13.305
203 HA LEU 26 HA LEU 26 15.497 13.649 12.105
204 HB2 LEU 26 HB2 LEU 26 15.676 10.802 13.028
205 HB3 LEU 26 HB3 LEU 26 14.719 11.476 11.709
206 HG LEU 26 HG LEU 26 17.681 10.937 11.760
207 HD11 LEU 26 HD11 LEU 26 15.602 9.315 11.082
208 HD12 LEU 26 HD12 LEU 26 17.243 9.175 10.452
209 HD13 LEU 26 HD13 LEU 26 16.015 10.040 9.528
210 HD21 LEU 26 HD21 LEU 26 17.145 11.787 9.233
211 HD22 LEU 26 HD22 LEU 26 17.878 12.779 10.494
212 HD23 LEU 26 HD23 LEU 26 16.143 12.878 10.190
213 H GLU 27 H GLU 27 13.672 11.653 13.336
214 HA GLU 27 HA GLU 27 12.913 13.269 15.626
215 HB2 GLU 27 HB2 GLU 27 10.803 12.191 15.519
216 HB3 GLU 27 HB3 GLU 27 11.284 12.489 13.854
217 HG2 GLU 27 HG2 GLU 27 10.535 10.345 13.691
218 HG3 GLU 27 HG3 GLU 27 12.242 10.058 14.021
219 H ASN 28 H ASN 28 14.318 10.177 14.949
220 HA ASN 28 HA ASN 28 13.763 8.986 17.485
221 HB2 ASN 28 HB2 ASN 28 14.485 7.911 15.176
222 HB3 ASN 28 HB3 ASN 28 16.103 8.131 15.835
223 HD21 ASN 28 HD21 ASN 28 12.983 7.174 17.228
224 HD22 ASN 28 HD22 ASN 28 13.558 5.708 17.939
225 H GLY 29 H GLY 29 15.982 11.332 16.410
226 HA2 GLY 29 HA2 GLY 29 17.214 12.607 18.035
227 HA3 GLY 29 HA3 GLY 29 17.404 11.139 18.982
228 H HIS 30 H HIS 30 18.066 9.607 16.498
229 HA HIS 30 HA HIS 30 20.889 9.929 16.637
230 HB2 HIS 30 HB2 HIS 30 20.967 8.165 14.930
231 HB3 HIS 30 HB3 HIS 30 19.860 7.742 16.232
232 HD1 HIS 30 HD1 HIS 30 19.448 6.264 13.688
233 HD2 HIS 30 HD2 HIS 30 17.663 9.945 14.412
234 HE1 HIS 30 HE1 HIS 30 17.456 6.358 12.155
235 H VAL 31 H VAL 31 22.331 10.466 14.916
236 HA VAL 31 HA VAL 31 21.231 12.535 13.152
237 HB VAL 31 HB VAL 31 23.491 13.367 12.916
238 HG11 VAL 31 HG11 VAL 31 23.956 13.978 15.265
239 HG12 VAL 31 HG12 VAL 31 22.254 14.161 14.835
240 HG13 VAL 31 HG13 VAL 31 22.781 12.772 15.786
241 HG21 VAL 31 HG21 VAL 31 25.341 12.324 14.226
242 HG22 VAL 31 HG22 VAL 31 24.274 10.958 14.550
243 HG23 VAL 31 HG23 VAL 31 24.751 11.330 12.894
244 H VAL 32 H VAL 32 21.317 12.401 10.976
245 HA VAL 32 HA VAL 32 22.472 9.943 9.835
246 HB VAL 32 HB VAL 32 20.887 10.122 8.024
247 HG11 VAL 32 HG11 VAL 32 19.464 10.532 10.651
248 HG12 VAL 32 HG12 VAL 32 18.820 9.725 9.220
249 HG13 VAL 32 HG13 VAL 32 20.169 9.011 10.105
250 HG21 VAL 32 HG21 VAL 32 20.538 12.831 9.090
251 HG22 VAL 32 HG22 VAL 32 20.338 12.223 7.447
252 HG23 VAL 32 HG23 VAL 32 19.039 12.027 8.623
253 H LEU 33 H LEU 33 23.847 10.048 8.112
254 HA LEU 33 HA LEU 33 24.823 12.728 7.410
255 HB2 LEU 33 HB2 LEU 33 26.863 11.588 6.666
256 HB3 LEU 33 HB3 LEU 33 26.500 11.284 8.364
257 HG LEU 33 HG LEU 33 25.381 9.102 7.339
258 HD11 LEU 33 HD11 LEU 33 26.968 10.211 5.165
259 HD12 LEU 33 HD12 LEU 33 25.750 8.936 5.146
260 HD13 LEU 33 HD13 LEU 33 27.417 8.556 5.579
261 HD21 LEU 33 HD21 LEU 33 28.267 8.749 7.418
262 HD22 LEU 33 HD22 LEU 33 27.014 8.082 8.465
263 HD23 LEU 33 HD23 LEU 33 27.654 9.697 8.774
264 H GLY 34 H GLY 34 24.724 13.481 5.371
265 HA2 GLY 34 HA2 GLY 34 24.396 11.706 3.116
266 HA3 GLY 34 HA3 GLY 34 22.959 12.644 3.496
267 H HIS 35 H HIS 35 23.621 13.226 1.140
268 HA HIS 35 HA HIS 35 25.254 15.674 1.284
269 HB2 HIS 35 HB2 HIS 35 25.905 15.248 -1.086
270 HB3 HIS 35 HB3 HIS 35 26.516 14.037 0.037
271 HD1 HIS 35 HD1 HIS 35 25.267 11.691 0.004
272 HD2 HIS 35 HD2 HIS 35 24.308 14.281 -3.099
273 HE1 HIS 35 HE1 HIS 35 24.139 10.267 -1.735
274 H ILE 36 H ILE 36 24.552 17.442 0.071
275 HA ILE 36 HA ILE 36 21.720 17.587 -0.317
276 HB ILE 36 HB ILE 36 22.839 19.542 0.512
277 HG12 ILE 36 HG12 ILE 36 22.009 21.227 -1.024
278 HG13 ILE 36 HG13 ILE 36 22.026 20.074 -2.354
279 HG21 ILE 36 HG21 ILE 36 24.762 18.891 -1.531
280 HG22 ILE 36 HG22 ILE 36 24.281 20.583 -1.638
281 HG23 ILE 36 HG23 ILE 36 24.929 19.945 -0.127
282 HD11 ILE 36 HD11 ILE 36 19.890 20.688 -0.704
283 HD12 ILE 36 HD12 ILE 36 20.002 19.341 -1.837
284 HD13 ILE 36 HD13 ILE 36 20.441 19.109 -0.145
285 H SER 37 H SER 37 20.560 17.512 -2.157
286 HA SER 37 HA SER 37 21.988 17.449 -4.722
287 HB2 SER 37 HB2 SER 37 20.233 15.611 -5.349
288 HB3 SER 37 HB3 SER 37 21.684 15.156 -4.455
289 HG SER 37 HG SER 37 19.075 15.027 -3.703
290 H GLY 38 H GLY 38 20.464 17.668 -6.597
291 HA2 GLY 38 HA2 GLY 38 18.327 18.386 -7.432
292 HA3 GLY 38 HA3 GLY 38 18.029 19.161 -5.883
293 H LYS 39 H LYS 39 17.430 20.940 -7.419
294 HA LYS 39 HA LYS 39 19.586 22.313 -8.747
295 HB2 LYS 39 HB2 LYS 39 17.114 22.262 -9.449
296 HB3 LYS 39 HB3 LYS 39 16.858 23.455 -8.183
297 HG2 LYS 39 HG2 LYS 39 18.730 24.780 -9.351
298 HG3 LYS 39 HG3 LYS 39 18.421 23.709 -10.720
299 HD2 LYS 39 HD2 LYS 39 16.301 25.356 -9.345
300 HD3 LYS 39 HD3 LYS 39 17.166 25.868 -10.796
301 HE2 LYS 39 HE2 LYS 39 15.560 23.326 -10.584
302 HE3 LYS 39 HE3 LYS 39 14.934 24.840 -11.233
303 HZ1 LYS 39 HZ1 LYS 39 17.135 23.182 -12.327
304 HZ2 LYS 39 HZ2 LYS 39 16.806 24.752 -12.864
305 HZ3 LYS 39 HZ3 LYS 39 15.647 23.534 -13.053
306 H MET 40 H MET 40 18.097 22.381 -5.635
307 HA MET 40 HA MET 40 18.521 24.955 -4.759
308 HB2 MET 40 HB2 MET 40 18.607 22.297 -3.385
309 HB3 MET 40 HB3 MET 40 19.045 23.747 -2.492
310 HG2 MET 40 HG2 MET 40 16.814 23.557 -2.008
311 HG3 MET 40 HG3 MET 40 16.788 24.662 -3.380
312 HE1 MET 40 HE1 MET 40 15.677 23.080 -6.254
313 HE2 MET 40 HE2 MET 40 14.330 23.692 -5.293
314 HE3 MET 40 HE3 MET 40 15.889 24.517 -5.253
315 H ARG 41 H ARG 41 20.828 22.246 -4.500
316 HA ARG 41 HA ARG 41 22.956 23.579 -3.378
317 HB2 ARG 41 HB2 ARG 41 24.376 21.859 -4.264
318 HB3 ARG 41 HB3 ARG 41 22.833 21.128 -3.845
319 HG2 ARG 41 HG2 ARG 41 22.322 21.652 -6.393
320 HG3 ARG 41 HG3 ARG 41 24.080 21.546 -6.497
321 HD2 ARG 41 HD2 ARG 41 22.692 19.416 -4.981
322 HD3 ARG 41 HD3 ARG 41 22.473 19.421 -6.730
323 HE ARG 41 HE ARG 41 25.217 19.644 -5.892
324 HH11 ARG 41 HH11 ARG 41 22.614 17.464 -6.659
325 HH12 ARG 41 HH12 ARG 41 23.663 16.142 -7.051
326 HH21 ARG 41 HH21 ARG 41 26.608 17.912 -6.405
327 HH22 ARG 41 HH22 ARG 41 25.935 16.397 -6.905
328 H MET 42 H MET 42 21.724 23.806 -6.612
329 HA MET 42 HA MET 42 24.083 25.199 -7.587
330 HB2 MET 42 HB2 MET 42 21.477 24.822 -9.053
331 HB3 MET 42 HB3 MET 42 23.067 25.139 -9.735
332 HG2 MET 42 HG2 MET 42 22.291 22.618 -8.288
333 HG3 MET 42 HG3 MET 42 22.308 22.814 -10.039
334 HE1 MET 42 HE1 MET 42 23.655 21.466 -10.992
335 HE2 MET 42 HE2 MET 42 24.949 22.562 -11.477
336 HE3 MET 42 HE3 MET 42 25.336 21.052 -10.652
337 H HIS 43 H HIS 43 20.847 25.883 -6.474
338 HA HIS 43 HA HIS 43 20.932 28.643 -7.344
339 HB2 HIS 43 HB2 HIS 43 18.929 26.835 -6.150
340 HB3 HIS 43 HB3 HIS 43 18.803 28.521 -5.657
341 HD1 HIS 43 HD1 HIS 43 19.514 29.883 -8.327
342 HD2 HIS 43 HD2 HIS 43 16.901 26.674 -7.960
343 HE1 HIS 43 HE1 HIS 43 18.027 29.993 -10.351
344 H TYR 44 H TYR 44 22.508 27.084 -5.003
345 HA TYR 44 HA TYR 44 23.491 27.653 -3.032
346 HB2 TYR 44 HB2 TYR 44 22.882 30.514 -3.775
347 HB3 TYR 44 HB3 TYR 44 24.207 29.915 -2.782
348 HD1 TYR 44 HD2 TYR 44 25.852 28.262 -4.003
349 HD2 TYR 44 HD1 TYR 44 23.289 31.012 -5.998
350 HE1 TYR 44 HE2 TYR 44 27.301 28.163 -5.988
351 HE2 TYR 44 HE1 TYR 44 24.730 30.919 -7.989
352 HH TYR 44 HH TYR 44 27.523 28.747 -8.136
353 H ILE 45 H ILE 45 21.733 26.699 -1.855
354 HA ILE 45 HA ILE 45 19.669 28.474 -0.834
355 HB ILE 45 HB ILE 45 18.849 26.445 0.358
356 HG12 ILE 45 HG12 ILE 45 20.681 24.758 -1.282
357 HG13 ILE 45 HG13 ILE 45 21.322 25.470 0.194
358 HG21 ILE 45 HG21 ILE 45 17.791 25.576 -1.507
359 HG22 ILE 45 HG22 ILE 45 18.296 27.168 -2.069
360 HG23 ILE 45 HG23 ILE 45 19.223 25.739 -2.523
361 HD11 ILE 45 HD11 ILE 45 20.473 23.198 0.530
362 HD12 ILE 45 HD12 ILE 45 19.600 24.387 1.497
363 HD13 ILE 45 HD13 ILE 45 18.869 23.736 0.030
364 H ARG 46 H ARG 46 19.391 29.017 1.329
365 HA ARG 46 HA ARG 46 21.738 29.482 2.817
366 HB2 ARG 46 HB2 ARG 46 18.813 29.799 3.312
367 HB3 ARG 46 HB3 ARG 46 19.902 29.877 4.691
368 HG2 ARG 46 HG2 ARG 46 20.240 31.571 2.231
369 HG3 ARG 46 HG3 ARG 46 19.310 32.077 3.643
370 HD2 ARG 46 HD2 ARG 46 21.197 32.154 5.008
371 HD3 ARG 46 HD3 ARG 46 22.138 31.131 3.924
372 HE ARG 46 HE ARG 46 22.728 32.995 2.731
373 HH11 ARG 46 HH11 ARG 46 20.043 33.766 4.808
374 HH12 ARG 46 HH12 ARG 46 20.113 35.467 4.486
375 HH21 ARG 46 HH21 ARG 46 22.831 35.232 2.298
376 HH22 ARG 46 HH22 ARG 46 21.699 36.299 3.057
377 H ILE 47 H ILE 47 22.821 28.241 4.199
378 HA ILE 47 HA ILE 47 21.442 25.964 5.447
379 HB ILE 47 HB ILE 47 24.196 25.852 4.209
380 HG12 ILE 47 HG12 ILE 47 21.686 24.356 3.433
381 HG13 ILE 47 HG13 ILE 47 22.266 25.798 2.607
382 HG21 ILE 47 HG21 ILE 47 22.609 23.770 5.703
383 HG22 ILE 47 HG22 ILE 47 24.104 23.458 4.821
384 HG23 ILE 47 HG23 ILE 47 24.114 24.528 6.222
385 HD11 ILE 47 HD11 ILE 47 23.021 24.036 1.296
386 HD12 ILE 47 HD12 ILE 47 24.432 24.487 2.254
387 HD13 ILE 47 HD13 ILE 47 23.483 23.068 2.696
388 H LEU 48 H LEU 48 21.762 25.815 7.574
389 HA LEU 48 HA LEU 48 24.207 26.779 8.793
390 HB2 LEU 48 HB2 LEU 48 21.553 28.099 9.145
391 HB3 LEU 48 HB3 LEU 48 22.680 28.044 10.499
392 HG LEU 48 HG LEU 48 23.288 29.267 7.808
393 HD11 LEU 48 HD11 LEU 48 21.491 30.368 9.292
394 HD12 LEU 48 HD12 LEU 48 22.811 31.364 8.679
395 HD13 LEU 48 HD13 LEU 48 22.841 30.790 10.346
396 HD21 LEU 48 HD21 LEU 48 25.265 28.464 8.974
397 HD22 LEU 48 HD22 LEU 48 24.775 29.327 10.433
398 HD23 LEU 48 HD23 LEU 48 25.215 30.227 8.981
399 HA PRO 49 HA PRO 49 23.463 23.549 11.667
400 HB2 PRO 49 HB2 PRO 49 24.493 24.573 13.961
401 HB3 PRO 49 HB3 PRO 49 25.500 24.049 12.606
402 HG2 PRO 49 HG2 PRO 49 24.623 26.811 13.357
403 HG3 PRO 49 HG3 PRO 49 26.216 26.252 12.815
404 HD2 PRO 49 HD2 PRO 49 24.466 27.490 11.161
405 HD3 PRO 49 HD3 PRO 49 25.597 26.245 10.595
406 H GLY 50 H GLY 50 21.402 23.105 12.199
407 HA2 GLY 50 HA2 GLY 50 19.853 23.087 14.080
408 HA3 GLY 50 HA3 GLY 50 20.137 24.813 14.249
409 H ASP 51 H ASP 51 19.929 23.913 11.014
410 HA ASP 51 HA ASP 51 17.300 25.145 10.809
411 HB2 ASP 51 HB2 ASP 51 19.371 25.655 9.319
412 HB3 ASP 51 HB3 ASP 51 18.917 24.181 8.468
413 H LYS 52 H LYS 52 15.501 24.179 9.893
414 HA LYS 52 HA LYS 52 15.362 21.317 10.191
415 HB2 LYS 52 HB2 LYS 52 13.421 23.524 9.724
416 HB3 LYS 52 HB3 LYS 52 12.944 21.906 9.226
417 HG2 LYS 52 HG2 LYS 52 13.797 21.328 11.677
418 HG3 LYS 52 HG3 LYS 52 13.356 23.018 11.937
419 HD2 LYS 52 HD2 LYS 52 11.125 22.638 11.527
420 HD3 LYS 52 HD3 LYS 52 11.441 21.228 10.513
421 HE2 LYS 52 HE2 LYS 52 11.722 19.824 12.331
422 HE3 LYS 52 HE3 LYS 52 12.107 21.151 13.426
423 HZ1 LYS 52 HZ1 LYS 52 9.509 20.126 12.591
424 HZ2 LYS 52 HZ2 LYS 52 9.630 21.800 12.804
425 HZ3 LYS 52 HZ3 LYS 52 9.996 20.756 14.084
426 H VAL 53 H VAL 53 15.734 19.883 8.643
427 HA VAL 53 HA VAL 53 15.142 20.581 5.859
428 HB VAL 53 HB VAL 53 17.231 19.687 5.044
429 HG11 VAL 53 HG11 VAL 53 16.948 22.101 6.195
430 HG12 VAL 53 HG12 VAL 53 18.297 21.468 7.141
431 HG13 VAL 53 HG13 VAL 53 18.423 21.576 5.384
432 HG21 VAL 53 HG21 VAL 53 17.631 18.955 7.907
433 HG22 VAL 53 HG22 VAL 53 17.922 18.003 6.451
434 HG23 VAL 53 HG23 VAL 53 19.039 19.292 6.900
435 H THR 54 H THR 54 14.630 18.834 4.530
436 HA THR 54 HA THR 54 13.719 16.476 5.960
437 HB THR 54 HB THR 54 13.367 17.282 3.066
438 HG1 THR 54 HG1 THR 54 11.665 18.313 3.780
439 HG21 THR 54 HG21 THR 54 11.699 15.494 2.961
440 HG22 THR 54 HG22 THR 54 12.090 15.024 4.615
441 HG23 THR 54 HG23 THR 54 13.294 14.847 3.339
442 H VAL 55 H VAL 55 14.364 14.374 5.553
443 HA VAL 55 HA VAL 55 16.591 13.956 3.696
444 HB VAL 55 HB VAL 55 17.661 12.477 5.493
445 HG11 VAL 55 HG11 VAL 55 17.837 15.318 6.341
446 HG12 VAL 55 HG12 VAL 55 19.120 14.156 6.000
447 HG13 VAL 55 HG13 VAL 55 18.249 14.924 4.673
448 HG21 VAL 55 HG21 VAL 55 15.828 12.431 7.068
449 HG22 VAL 55 HG22 VAL 55 17.230 13.194 7.818
450 HG23 VAL 55 HG23 VAL 55 15.891 14.185 7.240
451 H GLU 56 H GLU 56 16.894 11.764 3.057
452 HA GLU 56 HA GLU 56 14.670 9.962 3.736
453 HB2 GLU 56 HB2 GLU 56 14.643 11.195 1.402
454 HB3 GLU 56 HB3 GLU 56 15.805 9.949 0.972
455 HG2 GLU 56 HG2 GLU 56 14.235 8.218 1.430
456 HG3 GLU 56 HG3 GLU 56 13.094 9.364 2.130
457 H LEU 57 H LEU 57 15.371 8.099 4.522
458 HA LEU 57 HA LEU 57 18.148 7.388 4.414
459 HB2 LEU 57 HB2 LEU 57 16.044 6.855 6.116
460 HB3 LEU 57 HB3 LEU 57 16.330 5.305 5.327
461 HG LEU 57 HG LEU 57 18.659 5.353 6.080
462 HD11 LEU 57 HD11 LEU 57 18.694 7.291 8.066
463 HD12 LEU 57 HD12 LEU 57 17.999 8.105 6.665
464 HD13 LEU 57 HD13 LEU 57 19.575 7.325 6.538
465 HD21 LEU 57 HD21 LEU 57 18.140 5.281 8.586
466 HD22 LEU 57 HD22 LEU 57 17.256 4.177 7.532
467 HD23 LEU 57 HD23 LEU 57 16.478 5.648 8.120
468 H THR 58 H THR 58 19.092 6.327 2.815
469 HA THR 58 HA THR 58 17.743 5.241 0.612
470 HB THR 58 HB THR 58 19.936 4.183 0.035
471 HG1 THR 58 HG1 THR 58 20.449 4.942 2.671
472 HG21 THR 58 HG21 THR 58 21.062 6.703 0.545
473 HG22 THR 58 HG22 THR 58 19.331 6.978 0.349
474 HG23 THR 58 HG23 THR 58 20.246 6.172 -0.924
475 HA PRO 59 HA PRO 59 16.567 1.190 1.833
476 HB2 PRO 59 HB2 PRO 59 16.867 -0.163 -0.501
477 HB3 PRO 59 HB3 PRO 59 15.561 0.995 -0.223
478 HG2 PRO 59 HG2 PRO 59 18.152 1.375 -1.673
479 HG3 PRO 59 HG3 PRO 59 16.526 1.922 -2.124
480 HD2 PRO 59 HD2 PRO 59 18.354 3.566 -0.988
481 HD3 PRO 59 HD3 PRO 59 16.610 3.740 -0.709
482 H TYR 60 H TYR 60 19.697 1.709 0.390
483 HA TYR 60 HA TYR 60 20.797 -0.845 0.608
484 HB2 TYR 60 HB2 TYR 60 21.728 1.458 -0.356
485 HB3 TYR 60 HB3 TYR 60 22.524 1.506 1.213
486 HD1 TYR 60 HD1 TYR 60 21.954 -0.895 -1.598
487 HD2 TYR 60 HD2 TYR 60 24.627 0.572 1.369
488 HE1 TYR 60 HE1 TYR 60 23.713 -2.386 -2.454
489 HE2 TYR 60 HE2 TYR 60 26.394 -0.914 0.521
490 HH TYR 60 HH TYR 60 26.969 -2.084 -1.569
491 H ASP 61 H ASP 61 20.628 1.781 2.977
492 HA ASP 61 HA ASP 61 20.634 -0.032 5.170
493 HB2 ASP 61 HB2 ASP 61 23.192 1.195 4.332
494 HB3 ASP 61 HB3 ASP 61 22.824 1.295 6.052
495 H LEU 62 H LEU 62 21.091 1.360 7.297
496 HA LEU 62 HA LEU 62 19.406 3.746 7.006
497 HB2 LEU 62 HB2 LEU 62 20.096 2.472 9.623
498 HB3 LEU 62 HB3 LEU 62 18.685 3.436 9.193
499 HG LEU 62 HG LEU 62 19.220 0.594 8.329
500 HD11 LEU 62 HD11 LEU 62 18.540 0.259 10.462
501 HD12 LEU 62 HD12 LEU 62 16.951 0.473 9.726
502 HD13 LEU 62 HD13 LEU 62 17.722 1.818 10.567
503 HD21 LEU 62 HD21 LEU 62 17.077 0.633 7.293
504 HD22 LEU 62 HD22 LEU 62 17.980 2.021 6.684
505 HD23 LEU 62 HD23 LEU 62 16.737 2.248 7.916
506 H SER 63 H SER 63 22.596 2.941 7.272
507 HA SER 63 HA SER 63 23.326 5.215 8.956
508 HB2 SER 63 HB2 SER 63 25.198 3.243 7.639
509 HB3 SER 63 HB3 SER 63 25.540 4.313 8.998
510 HG SER 63 HG SER 63 24.264 1.869 8.946
511 H ARG 64 H ARG 64 22.104 5.708 6.405
512 HA ARG 64 HA ARG 64 23.810 7.708 5.418
513 HB2 ARG 64 HB2 ARG 64 24.275 6.766 3.164
514 HB3 ARG 64 HB3 ARG 64 25.121 5.927 4.458
515 HG2 ARG 64 HG2 ARG 64 23.004 4.356 4.352
516 HG3 ARG 64 HG3 ARG 64 22.918 4.988 2.706
517 HD2 ARG 64 HD2 ARG 64 25.294 3.626 3.970
518 HD3 ARG 64 HD3 ARG 64 24.200 2.916 2.784
519 HE ARG 64 HE ARG 64 26.395 4.654 2.260
520 HH11 ARG 64 HH11 ARG 64 23.218 3.755 1.156
521 HH12 ARG 64 HH12 ARG 64 23.510 4.232 -0.484
522 HH21 ARG 64 HH21 ARG 64 26.792 5.286 0.105
523 HH22 ARG 64 HH22 ARG 64 25.544 5.102 -1.081
524 H ALA 65 H ALA 65 22.347 9.187 4.912
525 HA ALA 65 HA ALA 65 19.986 8.358 3.355
526 HB1 ALA 65 HB1 ALA 65 18.558 9.298 4.793
527 HB2 ALA 65 HB2 ALA 65 19.895 9.253 5.944
528 HB3 ALA 65 HB3 ALA 65 19.578 10.720 5.017
529 H ARG 66 H ARG 66 18.928 10.292 2.262
530 HA ARG 66 HA ARG 66 21.046 11.891 1.013
531 HB2 ARG 66 HB2 ARG 66 19.597 12.139 -0.875
532 HB3 ARG 66 HB3 ARG 66 19.583 10.441 -0.417
533 HG2 ARG 66 HG2 ARG 66 17.465 11.056 0.923
534 HG3 ARG 66 HG3 ARG 66 17.440 12.498 -0.094
535 HD2 ARG 66 HD2 ARG 66 16.056 10.822 -1.109
536 HD3 ARG 66 HD3 ARG 66 17.507 11.024 -2.090
537 HE ARG 66 HE ARG 66 18.069 8.963 -0.361
538 HH11 ARG 66 HH11 ARG 66 15.671 9.621 -2.798
539 HH12 ARG 66 HH12 ARG 66 15.458 7.956 -3.224
540 HH21 ARG 66 HH21 ARG 66 17.797 6.766 -0.913
541 HH22 ARG 66 HH22 ARG 66 16.667 6.332 -2.150
542 H ILE 67 H ILE 67 21.122 14.048 1.203
543 HA ILE 67 HA ILE 67 19.384 15.349 3.073
544 HB ILE 67 HB ILE 67 21.542 16.497 1.300
545 HG12 ILE 67 HG12 ILE 67 21.577 15.767 4.237
546 HG13 ILE 67 HG13 ILE 67 22.336 14.835 2.951
547 HG21 ILE 67 HG21 ILE 67 19.943 18.207 1.946
548 HG22 ILE 67 HG22 ILE 67 20.086 17.726 3.636
549 HG23 ILE 67 HG23 ILE 67 21.467 18.437 2.802
550 HD11 ILE 67 HD11 ILE 67 23.839 16.674 2.478
551 HD12 ILE 67 HD12 ILE 67 23.053 17.654 3.716
552 HD13 ILE 67 HD13 ILE 67 23.944 16.203 4.174
553 H VAL 68 H VAL 68 17.744 16.752 2.709
554 HA VAL 68 HA VAL 68 17.094 17.394 -0.092
555 HB VAL 68 HB VAL 68 14.952 16.948 1.964
556 HG11 VAL 68 HG11 VAL 68 15.112 17.197 -1.004
557 HG12 VAL 68 HG12 VAL 68 13.801 16.261 -0.285
558 HG13 VAL 68 HG13 VAL 68 14.003 17.964 0.132
559 HG21 VAL 68 HG21 VAL 68 15.661 14.812 2.095
560 HG22 VAL 68 HG22 VAL 68 14.859 14.661 0.531
561 HG23 VAL 68 HG23 VAL 68 16.602 14.920 0.607
562 H PHE 69 H PHE 69 15.642 19.279 -0.320
563 HA PHE 69 HA PHE 69 16.648 21.561 0.832
564 HB2 PHE 69 HB2 PHE 69 14.378 22.591 0.171
565 HB3 PHE 69 HB3 PHE 69 15.358 21.871 -1.102
566 HD1 PHE 69 HD2 PHE 69 12.781 20.754 1.360
567 HD2 PHE 69 HD1 PHE 69 14.224 20.619 -2.642
568 HE1 PHE 69 HE2 PHE 69 10.892 19.308 0.732
569 HE2 PHE 69 HE1 PHE 69 12.336 19.174 -3.277
570 HZ PHE 69 HZ PHE 69 10.668 18.516 -1.589
571 H ARG 70 H ARG 70 15.475 23.156 2.227
572 HA ARG 70 HA ARG 70 15.151 22.233 4.797
573 HB2 ARG 70 HB2 ARG 70 13.893 24.680 3.544
574 HB3 ARG 70 HB3 ARG 70 14.024 24.389 5.273
575 HG2 ARG 70 HG2 ARG 70 16.328 24.679 5.276
576 HG3 ARG 70 HG3 ARG 70 16.459 24.411 3.537
577 HD2 ARG 70 HD2 ARG 70 16.773 26.748 3.972
578 HD3 ARG 70 HD3 ARG 70 15.213 26.531 3.177
579 HE ARG 70 HE ARG 70 15.067 26.579 6.051
580 HH11 ARG 70 HH11 ARG 70 15.069 28.490 3.141
581 HH12 ARG 70 HH12 ARG 70 14.229 29.824 3.861
582 HH21 ARG 70 HH21 ARG 70 13.961 28.328 7.010
583 HH22 ARG 70 HH22 ARG 70 13.600 29.731 6.062
584 H ALA 71 H ALA 71 13.383 21.789 6.132
585 HA ALA 71 HA ALA 71 11.210 20.445 4.842
586 HB1 ALA 71 HB1 ALA 71 11.749 19.351 6.769
587 HB2 ALA 71 HB2 ALA 71 12.107 20.838 7.647
588 HB3 ALA 71 HB3 ALA 71 10.432 20.363 7.365
589 H LYS 72 H LYS 72 8.993 20.930 4.986
590 HA LYS 72 HA LYS 72 8.430 23.789 5.398
591 HB2 LYS 72 HB2 LYS 72 8.075 22.820 3.103
592 HB3 LYS 72 HB3 LYS 72 6.809 21.810 3.790
593 HG2 LYS 72 HG2 LYS 72 5.445 23.668 4.269
594 HG3 LYS 72 HG3 LYS 72 6.768 24.805 4.001
595 HD2 LYS 72 HD2 LYS 72 5.727 23.015 1.821
596 HD3 LYS 72 HD3 LYS 72 5.020 24.598 2.156
597 HE2 LYS 72 HE2 LYS 72 7.948 24.166 1.597
598 HE3 LYS 72 HE3 LYS 72 6.767 24.551 0.346
599 HZ1 LYS 72 HZ1 LYS 72 6.934 26.277 2.713
600 HZ2 LYS 72 HZ2 LYS 72 6.490 26.666 1.128
601 HZ3 LYS 72 HZ3 LYS 72 8.120 26.427 1.515
Start of MODEL 7
1 H1 MET 1 H MET 1 8.623 -8.913 1.538
2 HA MET 1 HA MET 1 8.745 -10.199 -1.111
3 HB2 MET 1 HB2 MET 1 6.670 -8.972 -1.653
4 HB3 MET 1 HB3 MET 1 6.459 -10.082 -0.306
5 HG2 MET 1 HG2 MET 1 6.916 -8.031 1.177
6 HG3 MET 1 HG3 MET 1 6.585 -7.096 -0.280
7 HE1 MET 1 HE1 MET 1 4.381 -8.966 2.773
8 HE2 MET 1 HE2 MET 1 3.859 -10.166 1.590
9 HE3 MET 1 HE3 MET 1 5.579 -9.899 1.875
10 H ALA 2 H ALA 2 8.773 -8.699 -2.959
11 HA ALA 2 HA ALA 2 10.782 -6.700 -2.601
12 HB1 ALA 2 HB1 ALA 2 10.824 -7.946 -4.624
13 HB2 ALA 2 HB2 ALA 2 9.150 -7.526 -4.992
14 HB3 ALA 2 HB3 ALA 2 10.403 -6.286 -5.048
15 H LYS 3 H LYS 3 9.738 -5.264 -1.112
16 HA LYS 3 HA LYS 3 7.915 -3.391 -2.462
17 HB2 LYS 3 HB2 LYS 3 6.814 -3.024 -0.232
18 HB3 LYS 3 HB3 LYS 3 6.514 -4.600 -0.953
19 HG2 LYS 3 HG2 LYS 3 7.705 -5.712 0.636
20 HG3 LYS 3 HG3 LYS 3 8.791 -4.352 0.933
21 HD2 LYS 3 HD2 LYS 3 7.559 -4.254 2.848
22 HD3 LYS 3 HD3 LYS 3 6.544 -3.246 1.815
23 HE2 LYS 3 HE2 LYS 3 5.013 -4.998 1.441
24 HE3 LYS 3 HE3 LYS 3 6.126 -6.211 2.071
25 HZ1 LYS 3 HZ1 LYS 3 5.806 -5.441 4.259
26 HZ2 LYS 3 HZ2 LYS 3 4.259 -5.548 3.585
27 HZ3 LYS 3 HZ3 LYS 3 5.007 -4.040 3.747
28 H ASP 4 H ASP 4 8.348 -1.256 -2.178
29 HA ASP 4 HA ASP 4 10.887 -0.402 -1.498
30 HB2 ASP 4 HB2 ASP 4 8.849 0.803 -2.693
31 HB3 ASP 4 HB3 ASP 4 8.607 1.479 -1.085
32 H ASP 5 H ASP 5 11.866 -0.594 0.402
33 HA ASP 5 HA ASP 5 10.299 -0.314 2.863
34 HB2 ASP 5 HB2 ASP 5 12.903 -1.627 2.185
35 HB3 ASP 5 HB3 ASP 5 12.598 -1.126 3.846
36 H VAL 6 H VAL 6 11.190 1.938 1.137
37 HA VAL 6 HA VAL 6 13.190 3.286 2.767
38 HB VAL 6 HB VAL 6 11.706 4.456 0.419
39 HG11 VAL 6 HG11 VAL 6 12.857 6.243 1.132
40 HG12 VAL 6 HG12 VAL 6 13.941 5.270 2.128
41 HG13 VAL 6 HG13 VAL 6 14.246 5.442 0.399
42 HG21 VAL 6 HG21 VAL 6 14.003 2.545 0.482
43 HG22 VAL 6 HG22 VAL 6 12.602 2.578 -0.589
44 HG23 VAL 6 HG23 VAL 6 13.898 3.755 -0.796
45 H ILE 7 H ILE 7 12.832 5.280 3.813
46 HA ILE 7 HA ILE 7 10.107 6.252 4.076
47 HB ILE 7 HB ILE 7 10.135 6.169 6.534
48 HG12 ILE 7 HG12 ILE 7 11.923 4.225 7.240
49 HG13 ILE 7 HG13 ILE 7 12.836 5.113 6.026
50 HG21 ILE 7 HG21 ILE 7 9.166 4.342 5.025
51 HG22 ILE 7 HG22 ILE 7 10.557 3.379 5.519
52 HG23 ILE 7 HG23 ILE 7 9.410 3.955 6.728
53 HD11 ILE 7 HD11 ILE 7 13.221 6.787 7.425
54 HD12 ILE 7 HD12 ILE 7 11.524 6.885 7.896
55 HD13 ILE 7 HD13 ILE 7 12.598 5.741 8.701
56 H GLN 8 H GLN 8 10.083 8.403 4.232
57 HA GLN 8 HA GLN 8 12.624 9.787 4.622
58 HB2 GLN 8 HB2 GLN 8 11.487 11.745 3.712
59 HB3 GLN 8 HB3 GLN 8 11.288 10.361 2.645
60 HG2 GLN 8 HG2 GLN 8 9.058 10.050 3.991
61 HG3 GLN 8 HG3 GLN 8 9.281 11.767 4.326
62 HE21 GLN 8 HE21 GLN 8 7.229 10.401 2.755
63 HE22 GLN 8 HE22 GLN 8 7.297 11.098 1.176
64 H MET 9 H MET 9 13.127 10.785 6.456
65 HA MET 9 HA MET 9 10.983 11.253 8.417
66 HB2 MET 9 HB2 MET 9 13.119 9.715 8.817
67 HB3 MET 9 HB3 MET 9 13.849 11.261 9.229
68 HG2 MET 9 HG2 MET 9 13.100 10.429 11.261
69 HG3 MET 9 HG3 MET 9 11.856 11.584 10.789
70 HE1 MET 9 HE1 MET 9 12.243 7.991 12.253
71 HE2 MET 9 HE2 MET 9 11.697 9.504 12.977
72 HE3 MET 9 HE3 MET 9 10.551 8.190 12.708
73 H GLN 10 H GLN 10 11.185 13.153 9.790
74 HA GLN 10 HA GLN 10 12.372 15.406 8.318
75 HB2 GLN 10 HB2 GLN 10 9.859 15.038 9.797
76 HB3 GLN 10 HB3 GLN 10 10.690 16.546 10.152
77 HG2 GLN 10 HG2 GLN 10 9.572 17.318 8.381
78 HG3 GLN 10 HG3 GLN 10 10.832 16.509 7.450
79 HE21 GLN 10 HE21 GLN 10 10.312 14.047 7.211
80 HE22 GLN 10 HE22 GLN 10 8.716 13.705 6.648
81 H GLY 11 H GLY 11 14.283 15.981 9.125
82 HA2 GLY 11 HA2 GLY 11 14.524 16.194 12.060
83 HA3 GLY 11 HA3 GLY 11 15.815 15.504 11.087
84 H GLU 12 H GLU 12 16.417 17.576 12.714
85 HA GLU 12 HA GLU 12 16.545 19.916 10.933
86 HB2 GLU 12 HB2 GLU 12 15.473 20.488 12.995
87 HB3 GLU 12 HB3 GLU 12 16.725 19.690 13.936
88 HG2 GLU 12 HG2 GLU 12 18.258 21.385 13.584
89 HG3 GLU 12 HG3 GLU 12 17.416 21.986 12.157
90 H VAL 13 H VAL 13 18.482 20.791 10.371
91 HA VAL 13 HA VAL 13 20.780 19.153 10.443
92 HB VAL 13 HB VAL 13 20.540 22.089 9.772
93 HG11 VAL 13 HG11 VAL 13 22.791 21.967 10.009
94 HG12 VAL 13 HG12 VAL 13 22.831 20.218 9.785
95 HG13 VAL 13 HG13 VAL 13 22.682 21.284 8.388
96 HG21 VAL 13 HG21 VAL 13 20.714 19.721 7.917
97 HG22 VAL 13 HG22 VAL 13 19.200 20.495 8.385
98 HG23 VAL 13 HG23 VAL 13 20.413 21.405 7.485
99 H ILE 14 H ILE 14 22.545 19.133 11.733
100 HA ILE 14 HA ILE 14 22.588 21.039 13.982
101 HB ILE 14 HB ILE 14 23.376 18.126 13.970
102 HG12 ILE 14 HG12 ILE 14 20.956 18.610 14.193
103 HG13 ILE 14 HG13 ILE 14 21.630 17.885 15.649
104 HG21 ILE 14 HG21 ILE 14 25.014 19.313 15.258
105 HG22 ILE 14 HG22 ILE 14 23.760 20.225 16.097
106 HG23 ILE 14 HG23 ILE 14 23.921 18.490 16.371
107 HD11 ILE 14 HD11 ILE 14 20.131 20.228 15.444
108 HD12 ILE 14 HD12 ILE 14 20.958 19.599 16.870
109 HD13 ILE 14 HD13 ILE 14 21.778 20.744 15.808
110 H GLU 15 H GLU 15 24.428 19.295 11.575
111 HA GLU 15 HA GLU 15 26.628 21.169 11.931
112 HB2 GLU 15 HB2 GLU 15 26.755 18.540 12.957
113 HB3 GLU 15 HB3 GLU 15 27.760 18.561 11.515
114 HG2 GLU 15 HG2 GLU 15 29.366 19.352 12.826
115 HG3 GLU 15 HG3 GLU 15 28.483 20.878 12.797
116 H ASN 16 H ASN 16 28.009 21.330 10.103
117 HA ASN 16 HA ASN 16 26.964 20.037 7.672
118 HB2 ASN 16 HB2 ASN 16 27.473 22.125 6.440
119 HB3 ASN 16 HB3 ASN 16 26.250 22.364 7.685
120 HD21 ASN 16 HD21 ASN 16 26.724 23.601 9.476
121 HD22 ASN 16 HD22 ASN 16 28.125 24.608 9.568
122 H LEU 17 H LEU 17 28.441 18.755 6.802
123 HA LEU 17 HA LEU 17 31.276 19.269 7.320
124 HB2 LEU 17 HB2 LEU 17 29.657 16.879 6.638
125 HB3 LEU 17 HB3 LEU 17 31.324 16.919 6.066
126 HG LEU 17 HG LEU 17 32.147 17.070 8.325
127 HD11 LEU 17 HD11 LEU 17 29.243 17.339 9.041
128 HD12 LEU 17 HD12 LEU 17 30.580 18.419 9.437
129 HD13 LEU 17 HD13 LEU 17 30.463 16.839 10.213
130 HD21 LEU 17 HD21 LEU 17 31.695 14.841 7.472
131 HD22 LEU 17 HD22 LEU 17 30.032 14.936 8.051
132 HD23 LEU 17 HD23 LEU 17 31.368 14.915 9.203
133 HA PRO 18 HA PRO 18 32.251 20.514 3.228
134 HB2 PRO 18 HB2 PRO 18 34.617 19.261 2.780
135 HB3 PRO 18 HB3 PRO 18 34.449 20.630 3.886
136 HG2 PRO 18 HG2 PRO 18 34.556 17.701 4.498
137 HG3 PRO 18 HG3 PRO 18 35.353 19.048 5.332
138 HD2 PRO 18 HD2 PRO 18 33.089 17.893 6.265
139 HD3 PRO 18 HD3 PRO 18 33.450 19.615 6.503
140 H ASN 19 H ASN 19 33.171 19.536 1.061
141 HA ASN 19 HA ASN 19 32.818 18.180 -0.730
142 HB2 ASN 19 HB2 ASN 19 32.310 15.963 1.258
143 HB3 ASN 19 HB3 ASN 19 32.851 15.804 -0.410
144 HD21 ASN 19 HD21 ASN 19 33.763 16.432 2.842
145 HD22 ASN 19 HD22 ASN 19 35.470 16.494 2.582
146 H ALA 20 H ALA 20 30.605 19.602 0.559
147 HA ALA 20 HA ALA 20 28.361 19.859 0.275
148 HB1 ALA 20 HB1 ALA 20 29.123 18.951 -2.060
149 HB2 ALA 20 HB2 ALA 20 28.224 17.517 -1.563
150 HB3 ALA 20 HB3 ALA 20 27.409 19.078 -1.662
151 H THR 21 H THR 21 29.248 18.312 2.443
152 HA THR 21 HA THR 21 27.182 16.224 2.649
153 HB THR 21 HB THR 21 29.496 16.505 4.550
154 HG1 THR 21 HG1 THR 21 30.599 15.000 3.200
155 HG21 THR 21 HG21 THR 21 27.769 15.032 5.310
156 HG22 THR 21 HG22 THR 21 29.108 14.032 4.745
157 HG23 THR 21 HG23 THR 21 27.676 14.241 3.737
158 H PHE 22 H PHE 22 26.099 15.995 4.727
159 HA PHE 22 HA PHE 22 26.168 18.234 6.555
160 HB2 PHE 22 HB2 PHE 22 23.834 17.730 4.722
161 HB3 PHE 22 HB3 PHE 22 23.617 18.517 6.282
162 HD1 PHE 22 HD2 PHE 22 24.691 20.697 6.724
163 HD2 PHE 22 HD1 PHE 22 24.779 18.877 2.877
164 HE1 PHE 22 HE2 PHE 22 25.307 22.857 5.719
165 HE2 PHE 22 HE1 PHE 22 25.396 21.034 1.867
166 HZ PHE 22 HZ PHE 22 25.659 23.028 3.288
167 H ARG 23 H ARG 23 24.945 17.861 8.490
168 HA ARG 23 HA ARG 23 24.180 15.040 8.867
169 HB2 ARG 23 HB2 ARG 23 25.649 16.873 10.766
170 HB3 ARG 23 HB3 ARG 23 24.972 15.320 11.236
171 HG2 ARG 23 HG2 ARG 23 26.785 15.339 8.900
172 HG3 ARG 23 HG3 ARG 23 27.505 15.626 10.486
173 HD2 ARG 23 HD2 ARG 23 26.303 13.553 11.273
174 HD3 ARG 23 HD3 ARG 23 25.909 13.239 9.583
175 HE ARG 23 HE ARG 23 28.079 12.582 9.229
176 HH11 ARG 23 HH11 ARG 23 27.850 14.220 12.292
177 HH12 ARG 23 HH12 ARG 23 29.458 13.803 12.783
178 HH21 ARG 23 HH21 ARG 23 30.198 12.027 9.864
179 HH22 ARG 23 HH22 ARG 23 30.793 12.556 11.400
180 H VAL 24 H VAL 24 22.033 14.994 9.030
181 HA VAL 24 HA VAL 24 20.664 17.153 10.478
182 HB VAL 24 HB VAL 24 19.522 15.058 8.624
183 HG11 VAL 24 HG11 VAL 24 17.643 15.503 9.777
184 HG12 VAL 24 HG12 VAL 24 18.292 16.996 10.459
185 HG13 VAL 24 HG13 VAL 24 17.630 16.986 8.823
186 HG21 VAL 24 HG21 VAL 24 19.677 18.013 8.120
187 HG22 VAL 24 HG22 VAL 24 20.984 16.923 7.658
188 HG23 VAL 24 HG23 VAL 24 19.374 16.712 6.969
189 H LYS 25 H LYS 25 19.420 16.767 12.252
190 HA LYS 25 HA LYS 25 19.660 14.097 13.440
191 HB2 LYS 25 HB2 LYS 25 19.723 16.805 14.476
192 HB3 LYS 25 HB3 LYS 25 18.548 15.820 15.338
193 HG2 LYS 25 HG2 LYS 25 21.149 14.535 14.900
194 HG3 LYS 25 HG3 LYS 25 21.181 15.959 15.942
195 HD2 LYS 25 HD2 LYS 25 19.256 13.671 16.315
196 HD3 LYS 25 HD3 LYS 25 20.823 13.765 17.122
197 HE2 LYS 25 HE2 LYS 25 18.579 15.769 17.347
198 HE3 LYS 25 HE3 LYS 25 19.039 14.585 18.569
199 HZ1 LYS 25 HZ1 LYS 25 20.151 16.408 19.319
200 HZ2 LYS 25 HZ2 LYS 25 20.391 17.058 17.776
201 HZ3 LYS 25 HZ3 LYS 25 21.346 15.767 18.308
202 H LEU 26 H LEU 26 17.971 12.782 13.389
203 HA LEU 26 HA LEU 26 15.418 13.614 12.453
204 HB2 LEU 26 HB2 LEU 26 15.927 11.038 13.898
205 HB3 LEU 26 HB3 LEU 26 14.779 11.370 12.602
206 HG LEU 26 HG LEU 26 17.776 11.158 12.320
207 HD11 LEU 26 HD11 LEU 26 17.368 9.116 11.165
208 HD12 LEU 26 HD12 LEU 26 15.623 9.359 11.228
209 HD13 LEU 26 HD13 LEU 26 16.521 9.031 12.710
210 HD21 LEU 26 HD21 LEU 26 16.351 11.061 9.852
211 HD22 LEU 26 HD22 LEU 26 17.597 12.198 10.370
212 HD23 LEU 26 HD23 LEU 26 15.899 12.530 10.717
213 H GLU 27 H GLU 27 13.909 11.842 14.286
214 HA GLU 27 HA GLU 27 13.416 13.839 16.356
215 HB2 GLU 27 HB2 GLU 27 11.841 11.504 15.300
216 HB3 GLU 27 HB3 GLU 27 11.394 12.303 16.801
217 HG2 GLU 27 HG2 GLU 27 11.719 13.786 14.212
218 HG3 GLU 27 HG3 GLU 27 10.194 13.057 14.713
219 H ASN 28 H ASN 28 14.072 10.366 16.049
220 HA ASN 28 HA ASN 28 14.064 9.789 18.807
221 HB2 ASN 28 HB2 ASN 28 15.532 8.384 16.563
222 HB3 ASN 28 HB3 ASN 28 15.258 7.725 18.173
223 HD21 ASN 28 HD21 ASN 28 12.851 7.848 18.827
224 HD22 ASN 28 HD22 ASN 28 11.739 7.274 17.636
225 H GLY 29 H GLY 29 16.294 11.477 16.868
226 HA2 GLY 29 HA2 GLY 29 18.011 12.767 17.982
227 HA3 GLY 29 HA3 GLY 29 18.239 11.417 19.083
228 H HIS 30 H HIS 30 17.840 10.021 16.167
229 HA HIS 30 HA HIS 30 20.587 9.331 15.920
230 HB2 HIS 30 HB2 HIS 30 18.279 8.865 14.022
231 HB3 HIS 30 HB3 HIS 30 19.866 8.113 13.887
232 HD1 HIS 30 HD1 HIS 30 17.287 6.435 14.224
233 HD2 HIS 30 HD2 HIS 30 19.771 7.594 17.346
234 HE1 HIS 30 HE1 HIS 30 16.868 4.777 16.068
235 H VAL 31 H VAL 31 22.140 10.048 14.548
236 HA VAL 31 HA VAL 31 21.522 12.489 13.044
237 HB VAL 31 HB VAL 31 23.999 12.789 12.953
238 HG11 VAL 31 HG11 VAL 31 24.108 12.949 15.634
239 HG12 VAL 31 HG12 VAL 31 23.234 14.104 14.625
240 HG13 VAL 31 HG13 VAL 31 22.367 12.785 15.412
241 HG21 VAL 31 HG21 VAL 31 25.360 11.110 13.461
242 HG22 VAL 31 HG22 VAL 31 24.731 11.087 15.108
243 HG23 VAL 31 HG23 VAL 31 23.971 10.100 13.860
244 H VAL 32 H VAL 32 21.316 12.395 10.914
245 HA VAL 32 HA VAL 32 22.385 10.063 9.485
246 HB VAL 32 HB VAL 32 20.840 10.631 7.683
247 HG11 VAL 32 HG11 VAL 32 18.729 10.189 8.862
248 HG12 VAL 32 HG12 VAL 32 20.042 9.168 9.450
249 HG13 VAL 32 HG13 VAL 32 19.517 10.563 10.394
250 HG21 VAL 32 HG21 VAL 32 20.231 12.762 7.454
251 HG22 VAL 32 HG22 VAL 32 19.098 12.496 8.779
252 HG23 VAL 32 HG23 VAL 32 20.704 13.146 9.110
253 H LEU 33 H LEU 33 23.973 10.255 8.031
254 HA LEU 33 HA LEU 33 24.879 12.972 7.346
255 HB2 LEU 33 HB2 LEU 33 27.088 12.161 7.197
256 HB3 LEU 33 HB3 LEU 33 26.414 11.505 8.688
257 HG LEU 33 HG LEU 33 25.912 9.438 7.087
258 HD11 LEU 33 HD11 LEU 33 27.875 11.086 5.648
259 HD12 LEU 33 HD12 LEU 33 26.767 9.852 5.050
260 HD13 LEU 33 HD13 LEU 33 28.288 9.378 5.807
261 HD21 LEU 33 HD21 LEU 33 27.978 8.432 7.908
262 HD22 LEU 33 HD22 LEU 33 27.187 9.377 9.169
263 HD23 LEU 33 HD23 LEU 33 28.596 10.029 8.331
264 H GLY 34 H GLY 34 25.109 13.555 5.249
265 HA2 GLY 34 HA2 GLY 34 25.464 11.806 3.080
266 HA3 GLY 34 HA3 GLY 34 23.746 12.138 3.244
267 H HIS 35 H HIS 35 23.956 13.087 1.102
268 HA HIS 35 HA HIS 35 24.955 15.854 1.247
269 HB2 HIS 35 HB2 HIS 35 25.546 15.729 -1.122
270 HB3 HIS 35 HB3 HIS 35 26.399 14.489 -0.207
271 HD1 HIS 35 HD1 HIS 35 25.197 12.025 -0.343
272 HD2 HIS 35 HD2 HIS 35 24.245 14.783 -3.301
273 HE1 HIS 35 HE1 HIS 35 24.225 10.677 -2.231
274 H ILE 36 H ILE 36 23.730 17.442 0.212
275 HA ILE 36 HA ILE 36 20.925 16.740 -0.126
276 HB ILE 36 HB ILE 36 21.533 18.691 1.264
277 HG12 ILE 36 HG12 ILE 36 19.420 18.441 -0.355
278 HG13 ILE 36 HG13 ILE 36 19.666 19.862 0.653
279 HG21 ILE 36 HG21 ILE 36 23.474 19.512 0.162
280 HG22 ILE 36 HG22 ILE 36 22.590 19.763 -1.342
281 HG23 ILE 36 HG23 ILE 36 22.247 20.774 0.061
282 HD11 ILE 36 HD11 ILE 36 19.038 20.171 -1.822
283 HD12 ILE 36 HD12 ILE 36 20.320 21.172 -1.137
284 HD13 ILE 36 HD13 ILE 36 20.728 19.778 -2.137
285 H SER 37 H SER 37 19.738 17.077 -1.982
286 HA SER 37 HA SER 37 21.308 17.626 -4.415
287 HB2 SER 37 HB2 SER 37 19.875 16.103 -5.624
288 HB3 SER 37 HB3 SER 37 20.481 15.272 -4.192
289 HG SER 37 HG SER 37 18.443 15.930 -3.184
290 H GLY 38 H GLY 38 20.325 18.825 -6.083
291 HA2 GLY 38 HA2 GLY 38 18.024 19.802 -6.703
292 HA3 GLY 38 HA3 GLY 38 18.148 20.560 -5.123
293 H LYS 39 H LYS 39 17.820 22.443 -6.699
294 HA LYS 39 HA LYS 39 20.250 23.271 -8.065
295 HB2 LYS 39 HB2 LYS 39 17.464 24.391 -7.882
296 HB3 LYS 39 HB3 LYS 39 18.782 25.335 -8.563
297 HG2 LYS 39 HG2 LYS 39 19.174 23.509 -10.198
298 HG3 LYS 39 HG3 LYS 39 17.741 22.695 -9.565
299 HD2 LYS 39 HD2 LYS 39 16.587 24.993 -10.052
300 HD3 LYS 39 HD3 LYS 39 17.950 25.218 -11.151
301 HE2 LYS 39 HE2 LYS 39 17.346 23.370 -12.457
302 HE3 LYS 39 HE3 LYS 39 16.288 22.720 -11.206
303 HZ1 LYS 39 HZ1 LYS 39 14.590 23.863 -12.018
304 HZ2 LYS 39 HZ2 LYS 39 15.554 24.300 -13.337
305 HZ3 LYS 39 HZ3 LYS 39 15.453 25.317 -11.989
306 H MET 40 H MET 40 18.609 23.809 -5.078
307 HA MET 40 HA MET 40 19.492 26.335 -4.354
308 HB2 MET 40 HB2 MET 40 19.044 25.727 -2.104
309 HB3 MET 40 HB3 MET 40 17.892 24.838 -3.090
310 HG2 MET 40 HG2 MET 40 19.335 22.849 -2.932
311 HG3 MET 40 HG3 MET 40 20.420 23.750 -1.876
312 HE1 MET 40 HE1 MET 40 20.626 23.133 0.057
313 HE2 MET 40 HE2 MET 40 19.519 23.900 1.195
314 HE3 MET 40 HE3 MET 40 19.548 22.142 1.041
315 H ARG 41 H ARG 41 21.277 23.420 -4.732
316 HA ARG 41 HA ARG 41 23.515 24.281 -3.113
317 HB2 ARG 41 HB2 ARG 41 24.525 22.206 -3.656
318 HB3 ARG 41 HB3 ARG 41 22.814 21.868 -3.432
319 HG2 ARG 41 HG2 ARG 41 22.685 22.182 -6.009
320 HG3 ARG 41 HG3 ARG 41 24.425 21.892 -5.941
321 HD2 ARG 41 HD2 ARG 41 22.875 19.995 -4.359
322 HD3 ARG 41 HD3 ARG 41 22.468 19.964 -6.074
323 HE ARG 41 HE ARG 41 25.295 19.900 -5.519
324 HH11 ARG 41 HH11 ARG 41 22.400 18.022 -5.980
325 HH12 ARG 41 HH12 ARG 41 23.250 16.583 -6.436
326 HH21 ARG 41 HH21 ARG 41 26.426 18.011 -6.118
327 HH22 ARG 41 HH22 ARG 41 25.539 16.577 -6.513
328 H MET 42 H MET 42 22.501 24.464 -6.419
329 HA MET 42 HA MET 42 25.118 25.045 -7.470
330 HB2 MET 42 HB2 MET 42 22.338 25.041 -8.597
331 HB3 MET 42 HB3 MET 42 23.656 25.777 -9.499
332 HG2 MET 42 HG2 MET 42 24.875 23.644 -9.416
333 HG3 MET 42 HG3 MET 42 23.508 22.918 -8.575
334 HE1 MET 42 HE1 MET 42 23.092 21.016 -10.195
335 HE2 MET 42 HE2 MET 42 21.564 21.785 -9.766
336 HE3 MET 42 HE3 MET 42 21.867 21.295 -11.434
337 H HIS 43 H HIS 43 22.572 26.816 -5.996
338 HA HIS 43 HA HIS 43 23.378 29.371 -7.097
339 HB2 HIS 43 HB2 HIS 43 21.231 28.424 -5.252
340 HB3 HIS 43 HB3 HIS 43 21.701 30.120 -5.185
341 HD1 HIS 43 HD1 HIS 43 21.436 28.034 -8.331
342 HD2 HIS 43 HD2 HIS 43 19.546 31.224 -6.457
343 HE1 HIS 43 HE1 HIS 43 19.773 28.906 -10.003
344 H TYR 44 H TYR 44 24.523 27.362 -4.710
345 HA TYR 44 HA TYR 44 26.051 27.609 -3.044
346 HB2 TYR 44 HB2 TYR 44 26.424 30.454 -3.975
347 HB3 TYR 44 HB3 TYR 44 27.586 29.426 -3.144
348 HD1 TYR 44 HD2 TYR 44 28.076 27.134 -4.477
349 HD2 TYR 44 HD1 TYR 44 26.756 30.780 -6.229
350 HE1 TYR 44 HE2 TYR 44 29.000 26.422 -6.642
351 HE2 TYR 44 HE1 TYR 44 27.676 30.077 -8.399
352 HH TYR 44 HH TYR 44 28.565 26.943 -9.090
353 H ILE 45 H ILE 45 23.754 27.632 -1.957
354 HA ILE 45 HA ILE 45 22.940 30.058 -0.698
355 HB ILE 45 HB ILE 45 21.478 28.612 0.679
356 HG12 ILE 45 HG12 ILE 45 22.689 26.329 -0.891
357 HG13 ILE 45 HG13 ILE 45 23.071 26.687 0.789
358 HG21 ILE 45 HG21 ILE 45 20.486 29.317 -1.308
359 HG22 ILE 45 HG22 ILE 45 21.528 28.298 -2.300
360 HG23 ILE 45 HG23 ILE 45 20.252 27.569 -1.324
361 HD11 ILE 45 HD11 ILE 45 20.418 25.834 -0.334
362 HD12 ILE 45 HD12 ILE 45 21.478 24.922 0.742
363 HD13 ILE 45 HD13 ILE 45 20.663 26.373 1.327
364 H ARG 46 H ARG 46 22.549 29.725 1.872
365 HA ARG 46 HA ARG 46 25.189 29.104 3.024
366 HB2 ARG 46 HB2 ARG 46 23.472 31.512 3.293
367 HB3 ARG 46 HB3 ARG 46 24.296 30.957 4.744
368 HG2 ARG 46 HG2 ARG 46 26.356 30.902 3.050
369 HG3 ARG 46 HG3 ARG 46 25.391 32.162 2.280
370 HD2 ARG 46 HD2 ARG 46 26.646 33.415 3.735
371 HD3 ARG 46 HD3 ARG 46 25.221 33.093 4.722
372 HE ARG 46 HE ARG 46 27.226 31.105 5.088
373 HH11 ARG 46 HH11 ARG 46 26.322 34.349 5.968
374 HH12 ARG 46 HH12 ARG 46 27.185 34.322 7.470
375 HH21 ARG 46 HH21 ARG 46 28.366 31.056 7.063
376 HH22 ARG 46 HH22 ARG 46 28.348 32.448 8.091
377 H ILE 47 H ILE 47 24.128 26.978 3.361
378 HA ILE 47 HA ILE 47 21.926 26.686 5.113
379 HB ILE 47 HB ILE 47 24.116 24.676 4.586
380 HG12 ILE 47 HG12 ILE 47 21.491 25.031 3.126
381 HG13 ILE 47 HG13 ILE 47 23.050 25.567 2.509
382 HG21 ILE 47 HG21 ILE 47 21.793 23.292 4.919
383 HG22 ILE 47 HG22 ILE 47 22.998 23.563 6.176
384 HG23 ILE 47 HG23 ILE 47 21.591 24.619 6.063
385 HD11 ILE 47 HD11 ILE 47 23.670 23.494 1.912
386 HD12 ILE 47 HD12 ILE 47 22.901 22.743 3.310
387 HD13 ILE 47 HD13 ILE 47 21.930 23.204 1.912
388 H LEU 48 H LEU 48 21.849 26.111 7.292
389 HA LEU 48 HA LEU 48 24.298 26.080 8.849
390 HB2 LEU 48 HB2 LEU 48 22.376 28.330 8.829
391 HB3 LEU 48 HB3 LEU 48 22.968 27.805 10.404
392 HG LEU 48 HG LEU 48 25.309 28.043 9.133
393 HD11 LEU 48 HD11 LEU 48 24.599 30.485 8.001
394 HD12 LEU 48 HD12 LEU 48 23.400 29.337 7.404
395 HD13 LEU 48 HD13 LEU 48 25.118 29.028 7.154
396 HD21 LEU 48 HD21 LEU 48 24.141 29.255 11.196
397 HD22 LEU 48 HD22 LEU 48 24.147 30.606 10.062
398 HD23 LEU 48 HD23 LEU 48 25.662 29.818 10.505
399 HA PRO 49 HA PRO 49 22.061 23.349 11.453
400 HB2 PRO 49 HB2 PRO 49 23.033 23.954 13.914
401 HB3 PRO 49 HB3 PRO 49 23.981 23.103 12.690
402 HG2 PRO 49 HG2 PRO 49 24.024 26.000 13.442
403 HG3 PRO 49 HG3 PRO 49 25.382 24.912 13.102
404 HD2 PRO 49 HD2 PRO 49 24.440 26.681 11.281
405 HD3 PRO 49 HD3 PRO 49 25.135 25.114 10.819
406 H GLY 50 H GLY 50 20.110 23.260 12.424
407 HA2 GLY 50 HA2 GLY 50 18.592 24.078 14.146
408 HA3 GLY 50 HA3 GLY 50 19.117 25.706 13.745
409 H ASP 51 H ASP 51 18.754 23.820 10.984
410 HA ASP 51 HA ASP 51 16.133 25.052 10.462
411 HB2 ASP 51 HB2 ASP 51 18.168 25.632 9.010
412 HB3 ASP 51 HB3 ASP 51 18.016 24.003 8.357
413 H LYS 52 H LYS 52 14.414 23.825 9.934
414 HA LYS 52 HA LYS 52 14.623 20.974 10.295
415 HB2 LYS 52 HB2 LYS 52 12.715 22.438 11.121
416 HB3 LYS 52 HB3 LYS 52 12.174 22.520 9.449
417 HG2 LYS 52 HG2 LYS 52 10.933 20.747 10.029
418 HG3 LYS 52 HG3 LYS 52 12.427 19.851 9.747
419 HD2 LYS 52 HD2 LYS 52 12.171 21.010 12.434
420 HD3 LYS 52 HD3 LYS 52 10.982 19.764 12.048
421 HE2 LYS 52 HE2 LYS 52 12.830 18.268 11.371
422 HE3 LYS 52 HE3 LYS 52 13.982 19.507 11.865
423 HZ1 LYS 52 HZ1 LYS 52 11.980 18.314 13.698
424 HZ2 LYS 52 HZ2 LYS 52 13.283 19.310 14.109
425 HZ3 LYS 52 HZ3 LYS 52 13.564 17.740 13.546
426 H VAL 53 H VAL 53 14.961 19.536 8.743
427 HA VAL 53 HA VAL 53 14.013 20.096 6.027
428 HB VAL 53 HB VAL 53 16.082 19.394 5.006
429 HG11 VAL 53 HG11 VAL 53 17.173 21.318 6.961
430 HG12 VAL 53 HG12 VAL 53 17.121 21.393 5.198
431 HG13 VAL 53 HG13 VAL 53 15.686 21.795 6.142
432 HG21 VAL 53 HG21 VAL 53 16.700 18.523 7.726
433 HG22 VAL 53 HG22 VAL 53 17.306 17.928 6.180
434 HG23 VAL 53 HG23 VAL 53 18.034 19.352 6.923
435 H THR 54 H THR 54 14.091 18.128 4.635
436 HA THR 54 HA THR 54 13.295 15.799 6.221
437 HB THR 54 HB THR 54 12.954 16.091 3.242
438 HG1 THR 54 HG1 THR 54 11.450 17.523 3.604
439 HG21 THR 54 HG21 THR 54 11.480 14.504 5.348
440 HG22 THR 54 HG22 THR 54 12.606 13.860 4.154
441 HG23 THR 54 HG23 THR 54 11.070 14.552 3.634
442 H VAL 55 H VAL 55 14.137 13.741 5.866
443 HA VAL 55 HA VAL 55 16.451 13.519 4.079
444 HB VAL 55 HB VAL 55 17.707 12.286 5.836
445 HG11 VAL 55 HG11 VAL 55 18.489 14.249 7.010
446 HG12 VAL 55 HG12 VAL 55 18.142 14.664 5.330
447 HG13 VAL 55 HG13 VAL 55 17.009 15.118 6.604
448 HG21 VAL 55 HG21 VAL 55 15.615 13.393 7.706
449 HG22 VAL 55 HG22 VAL 55 15.758 11.700 7.233
450 HG23 VAL 55 HG23 VAL 55 17.048 12.468 8.158
451 H GLU 56 H GLU 56 16.971 11.372 3.453
452 HA GLU 56 HA GLU 56 14.922 9.360 4.094
453 HB2 GLU 56 HB2 GLU 56 15.745 10.418 1.455
454 HB3 GLU 56 HB3 GLU 56 15.546 8.675 1.558
455 HG2 GLU 56 HG2 GLU 56 13.278 8.865 2.154
456 HG3 GLU 56 HG3 GLU 56 13.430 10.590 2.483
457 H LEU 57 H LEU 57 15.693 7.414 4.638
458 HA LEU 57 HA LEU 57 18.572 6.934 4.262
459 HB2 LEU 57 HB2 LEU 57 17.755 7.106 6.599
460 HB3 LEU 57 HB3 LEU 57 16.721 5.710 6.302
461 HG LEU 57 HG LEU 57 19.059 4.610 5.660
462 HD11 LEU 57 HD11 LEU 57 20.137 6.888 6.194
463 HD12 LEU 57 HD12 LEU 57 20.894 5.425 6.823
464 HD13 LEU 57 HD13 LEU 57 19.904 6.430 7.882
465 HD21 LEU 57 HD21 LEU 57 17.264 4.432 7.741
466 HD22 LEU 57 HD22 LEU 57 18.801 4.717 8.557
467 HD23 LEU 57 HD23 LEU 57 18.628 3.352 7.452
468 H THR 58 H THR 58 19.294 4.948 3.517
469 HA THR 58 HA THR 58 17.232 3.294 2.221
470 HB THR 58 HB THR 58 19.427 2.462 0.963
471 HG1 THR 58 HG1 THR 58 20.070 5.190 1.344
472 HG21 THR 58 HG21 THR 58 18.801 3.801 -0.859
473 HG22 THR 58 HG22 THR 58 18.272 5.123 0.180
474 HG23 THR 58 HG23 THR 58 17.322 3.640 0.087
475 HA PRO 59 HA PRO 59 18.278 -0.251 4.587
476 HB2 PRO 59 HB2 PRO 59 18.120 -2.239 2.746
477 HB3 PRO 59 HB3 PRO 59 16.699 -1.402 3.379
478 HG2 PRO 59 HG2 PRO 59 18.162 -0.968 0.804
479 HG3 PRO 59 HG3 PRO 59 16.415 -1.018 1.103
480 HD2 PRO 59 HD2 PRO 59 17.780 1.304 0.828
481 HD3 PRO 59 HD3 PRO 59 16.359 1.151 1.881
482 H TYR 60 H TYR 60 20.225 0.657 1.909
483 HA TYR 60 HA TYR 60 22.168 -1.372 1.955
484 HB2 TYR 60 HB2 TYR 60 22.048 1.429 0.951
485 HB3 TYR 60 HB3 TYR 60 23.636 0.689 1.112
486 HD1 TYR 60 HD1 TYR 60 20.425 0.563 -0.657
487 HD2 TYR 60 HD2 TYR 60 24.312 -1.135 -0.325
488 HE1 TYR 60 HE1 TYR 60 20.108 -0.569 -2.818
489 HE2 TYR 60 HE2 TYR 60 24.007 -2.271 -2.485
490 HH TYR 60 HH TYR 60 21.516 -3.005 -3.841
491 H ASP 61 H ASP 61 21.924 1.684 3.722
492 HA ASP 61 HA ASP 61 23.669 0.630 5.783
493 HB2 ASP 61 HB2 ASP 61 24.407 2.987 4.063
494 HB3 ASP 61 HB3 ASP 61 25.014 2.833 5.710
495 H LEU 62 H LEU 62 23.168 1.400 7.767
496 HA LEU 62 HA LEU 62 21.005 3.377 7.898
497 HB2 LEU 62 HB2 LEU 62 20.481 2.488 10.054
498 HB3 LEU 62 HB3 LEU 62 20.646 1.151 8.917
499 HG LEU 62 HG LEU 62 23.006 1.885 10.576
500 HD11 LEU 62 HD11 LEU 62 22.137 0.337 12.351
501 HD12 LEU 62 HD12 LEU 62 20.548 0.483 11.601
502 HD13 LEU 62 HD13 LEU 62 21.342 1.909 12.268
503 HD21 LEU 62 HD21 LEU 62 22.384 -0.112 8.763
504 HD22 LEU 62 HD22 LEU 62 22.244 -0.903 10.334
505 HD23 LEU 62 HD23 LEU 62 23.748 -0.097 9.882
506 H SER 63 H SER 63 24.017 3.822 7.670
507 HA SER 63 HA SER 63 24.281 5.576 10.025
508 HB2 SER 63 HB2 SER 63 25.926 3.539 9.599
509 HB3 SER 63 HB3 SER 63 26.697 4.690 8.508
510 HG SER 63 HG SER 63 26.415 4.784 11.296
511 H ARG 64 H ARG 64 23.108 6.044 7.308
512 HA ARG 64 HA ARG 64 24.019 8.661 6.911
513 HB2 ARG 64 HB2 ARG 64 25.082 8.361 4.659
514 HB3 ARG 64 HB3 ARG 64 26.038 7.756 6.005
515 HG2 ARG 64 HG2 ARG 64 25.031 5.475 5.477
516 HG3 ARG 64 HG3 ARG 64 24.503 6.198 3.956
517 HD2 ARG 64 HD2 ARG 64 27.310 5.823 4.967
518 HD3 ARG 64 HD3 ARG 64 26.577 5.152 3.511
519 HE ARG 64 HE ARG 64 27.735 7.762 3.824
520 HH11 ARG 64 HH11 ARG 64 25.455 5.843 2.024
521 HH12 ARG 64 HH12 ARG 64 25.513 6.855 0.620
522 HH21 ARG 64 HH21 ARG 64 27.821 9.102 1.981
523 HH22 ARG 64 HH22 ARG 64 26.860 8.708 0.596
524 H ALA 65 H ALA 65 22.546 9.780 5.753
525 HA ALA 65 HA ALA 65 20.721 8.295 3.996
526 HB1 ALA 65 HB1 ALA 65 18.940 8.638 5.275
527 HB2 ALA 65 HB2 ALA 65 20.019 9.240 6.535
528 HB3 ALA 65 HB3 ALA 65 19.292 10.363 5.387
529 H ARG 66 H ARG 66 19.668 9.575 2.394
530 HA ARG 66 HA ARG 66 21.316 11.672 1.372
531 HB2 ARG 66 HB2 ARG 66 19.569 11.807 -0.417
532 HB3 ARG 66 HB3 ARG 66 20.256 10.204 -0.195
533 HG2 ARG 66 HG2 ARG 66 18.308 9.462 0.983
534 HG3 ARG 66 HG3 ARG 66 17.639 11.096 0.992
535 HD2 ARG 66 HD2 ARG 66 16.646 9.588 -0.730
536 HD3 ARG 66 HD3 ARG 66 17.354 11.067 -1.380
537 HE ARG 66 HE ARG 66 19.144 8.813 -1.381
538 HH11 ARG 66 HH11 ARG 66 16.660 10.511 -3.133
539 HH12 ARG 66 HH12 ARG 66 17.149 9.899 -4.678
540 HH21 ARG 66 HH21 ARG 66 19.798 8.002 -3.410
541 HH22 ARG 66 HH22 ARG 66 18.934 8.471 -4.834
542 H ILE 67 H ILE 67 21.140 13.804 1.637
543 HA ILE 67 HA ILE 67 19.161 14.862 3.426
544 HB ILE 67 HB ILE 67 21.296 16.264 1.816
545 HG12 ILE 67 HG12 ILE 67 22.166 14.706 3.511
546 HG13 ILE 67 HG13 ILE 67 22.503 16.378 3.944
547 HG21 ILE 67 HG21 ILE 67 20.886 18.108 3.508
548 HG22 ILE 67 HG22 ILE 67 19.653 17.890 2.267
549 HG23 ILE 67 HG23 ILE 67 19.380 17.276 3.897
550 HD11 ILE 67 HD11 ILE 67 21.187 14.390 5.461
551 HD12 ILE 67 HD12 ILE 67 21.530 16.064 5.899
552 HD13 ILE 67 HD13 ILE 67 20.015 15.656 5.094
553 H VAL 68 H VAL 68 17.312 15.874 2.953
554 HA VAL 68 HA VAL 68 16.756 16.468 0.119
555 HB VAL 68 HB VAL 68 14.606 16.010 2.164
556 HG11 VAL 68 HG11 VAL 68 13.470 16.701 0.349
557 HG12 VAL 68 HG12 VAL 68 14.796 16.323 -0.753
558 HG13 VAL 68 HG13 VAL 68 13.713 15.044 -0.204
559 HG21 VAL 68 HG21 VAL 68 15.419 13.929 2.431
560 HG22 VAL 68 HG22 VAL 68 14.700 13.643 0.846
561 HG23 VAL 68 HG23 VAL 68 16.417 14.020 0.979
562 H PHE 69 H PHE 69 15.201 18.242 -0.253
563 HA PHE 69 HA PHE 69 16.037 20.646 0.786
564 HB2 PHE 69 HB2 PHE 69 13.256 20.059 -0.250
565 HB3 PHE 69 HB3 PHE 69 14.038 21.635 -0.188
566 HD1 PHE 69 HD1 PHE 69 15.970 22.109 -1.667
567 HD2 PHE 69 HD2 PHE 69 13.666 18.549 -2.021
568 HE1 PHE 69 HE1 PHE 69 16.881 21.749 -3.924
569 HE2 PHE 69 HE2 PHE 69 14.573 18.182 -4.279
570 HZ PHE 69 HZ PHE 69 16.183 19.783 -5.233
571 H ARG 70 H ARG 70 14.735 22.243 2.054
572 HA ARG 70 HA ARG 70 14.389 21.461 4.663
573 HB2 ARG 70 HB2 ARG 70 13.474 23.582 5.086
574 HB3 ARG 70 HB3 ARG 70 14.508 23.825 3.685
575 HG2 ARG 70 HG2 ARG 70 11.543 23.363 3.501
576 HG3 ARG 70 HG3 ARG 70 12.286 24.962 3.581
577 HD2 ARG 70 HD2 ARG 70 12.309 24.821 1.340
578 HD3 ARG 70 HD3 ARG 70 13.728 23.806 1.592
579 HE ARG 70 HE ARG 70 12.500 21.970 0.953
580 HH11 ARG 70 HH11 ARG 70 10.379 24.682 1.469
581 HH12 ARG 70 HH12 ARG 70 8.995 23.898 0.782
582 HH21 ARG 70 HH21 ARG 70 10.686 20.927 0.045
583 HH22 ARG 70 HH22 ARG 70 9.171 21.761 -0.027
584 H ALA 71 H ALA 71 12.429 21.368 5.992
585 HA ALA 71 HA ALA 71 10.499 19.580 4.821
586 HB1 ALA 71 HB1 ALA 71 11.525 19.610 7.240
587 HB2 ALA 71 HB2 ALA 71 10.163 20.682 7.566
588 HB3 ALA 71 HB3 ALA 71 9.876 19.051 6.960
589 H LYS 72 H LYS 72 8.611 20.122 3.956
590 HA LYS 72 HA LYS 72 7.769 22.742 3.556
591 HB2 LYS 72 HB2 LYS 72 6.250 20.138 3.458
592 HB3 LYS 72 HB3 LYS 72 5.534 21.674 2.990
593 HG2 LYS 72 HG2 LYS 72 7.191 21.944 1.241
594 HG3 LYS 72 HG3 LYS 72 7.981 20.446 1.735
595 HD2 LYS 72 HD2 LYS 72 5.081 20.418 1.020
596 HD3 LYS 72 HD3 LYS 72 6.294 20.451 -0.262
597 HE2 LYS 72 HE2 LYS 72 7.329 18.497 1.220
598 HE3 LYS 72 HE3 LYS 72 5.640 18.316 1.693
599 HZ1 LYS 72 HZ1 LYS 72 5.273 17.247 -0.192
600 HZ2 LYS 72 HZ2 LYS 72 6.887 17.445 -0.659
601 HZ3 LYS 72 HZ3 LYS 72 5.735 18.609 -1.084
Start of MODEL 8
1 H1 MET 1 H MET 1 4.416 -1.957 -11.415
2 HA MET 1 HA MET 1 6.777 -3.327 -12.042
3 HB2 MET 1 HB2 MET 1 7.180 -1.462 -13.647
4 HB3 MET 1 HB3 MET 1 5.568 -2.155 -13.760
5 HG2 MET 1 HG2 MET 1 4.715 -0.284 -12.387
6 HG3 MET 1 HG3 MET 1 6.327 0.427 -12.416
7 HE1 MET 1 HE1 MET 1 4.695 2.676 -13.479
8 HE2 MET 1 HE2 MET 1 3.627 2.330 -14.839
9 HE3 MET 1 HE3 MET 1 3.401 1.490 -13.304
10 H ALA 2 H ALA 2 6.185 -0.609 -9.974
11 HA ALA 2 HA ALA 2 9.088 -0.343 -9.531
12 HB1 ALA 2 HB1 ALA 2 7.501 1.932 -8.652
13 HB2 ALA 2 HB2 ALA 2 8.959 1.882 -9.643
14 HB3 ALA 2 HB3 ALA 2 7.379 1.636 -10.387
15 H LYS 3 H LYS 3 9.840 -0.465 -7.475
16 HA LYS 3 HA LYS 3 7.968 -0.415 -5.241
17 HB2 LYS 3 HB2 LYS 3 9.853 -2.745 -5.585
18 HB3 LYS 3 HB3 LYS 3 8.587 -2.553 -4.380
19 HG2 LYS 3 HG2 LYS 3 6.881 -2.787 -6.058
20 HG3 LYS 3 HG3 LYS 3 8.096 -2.817 -7.338
21 HD2 LYS 3 HD2 LYS 3 9.038 -4.843 -5.954
22 HD3 LYS 3 HD3 LYS 3 7.386 -4.912 -5.337
23 HE2 LYS 3 HE2 LYS 3 6.521 -5.121 -7.589
24 HE3 LYS 3 HE3 LYS 3 8.141 -4.935 -8.258
25 HZ1 LYS 3 HZ1 LYS 3 8.550 -7.081 -7.957
26 HZ2 LYS 3 HZ2 LYS 3 6.912 -7.291 -7.591
27 HZ3 LYS 3 HZ3 LYS 3 8.031 -7.045 -6.347
28 H ASP 4 H ASP 4 8.912 0.090 -3.267
29 HA ASP 4 HA ASP 4 11.766 0.239 -2.964
30 HB2 ASP 4 HB2 ASP 4 10.133 2.706 -3.459
31 HB3 ASP 4 HB3 ASP 4 11.541 2.784 -2.404
32 H ASP 5 H ASP 5 12.406 0.882 -0.810
33 HA ASP 5 HA ASP 5 10.234 0.978 1.157
34 HB2 ASP 5 HB2 ASP 5 11.519 -0.651 2.581
35 HB3 ASP 5 HB3 ASP 5 10.816 -1.347 1.123
36 H VAL 6 H VAL 6 10.904 3.239 1.169
37 HA VAL 6 HA VAL 6 13.122 3.651 3.040
38 HB VAL 6 HB VAL 6 13.755 5.734 1.783
39 HG11 VAL 6 HG11 VAL 6 15.403 4.606 0.739
40 HG12 VAL 6 HG12 VAL 6 14.688 3.211 1.549
41 HG13 VAL 6 HG13 VAL 6 14.281 3.561 -0.132
42 HG21 VAL 6 HG21 VAL 6 12.416 4.514 -0.602
43 HG22 VAL 6 HG22 VAL 6 11.540 5.628 0.448
44 HG23 VAL 6 HG23 VAL 6 13.006 6.161 -0.375
45 H ILE 7 H ILE 7 12.923 5.485 4.367
46 HA ILE 7 HA ILE 7 10.359 6.916 4.212
47 HB ILE 7 HB ILE 7 10.146 6.814 6.661
48 HG12 ILE 7 HG12 ILE 7 11.666 4.662 7.457
49 HG13 ILE 7 HG13 ILE 7 12.770 5.529 6.396
50 HG21 ILE 7 HG21 ILE 7 9.110 5.128 5.062
51 HG22 ILE 7 HG22 ILE 7 10.366 4.014 5.600
52 HG23 ILE 7 HG23 ILE 7 9.207 4.662 6.760
53 HD11 ILE 7 HD11 ILE 7 11.923 6.148 9.079
54 HD12 ILE 7 HD12 ILE 7 13.258 6.808 8.134
55 HD13 ILE 7 HD13 ILE 7 11.644 7.502 7.984
56 H GLN 8 H GLN 8 10.508 9.059 4.473
57 HA GLN 8 HA GLN 8 13.138 10.190 5.017
58 HB2 GLN 8 HB2 GLN 8 12.224 12.273 4.167
59 HB3 GLN 8 HB3 GLN 8 11.873 10.964 3.046
60 HG2 GLN 8 HG2 GLN 8 9.604 10.814 4.189
61 HG3 GLN 8 HG3 GLN 8 10.002 12.369 4.918
62 HE21 GLN 8 HE21 GLN 8 7.809 12.097 3.309
63 HE22 GLN 8 HE22 GLN 8 8.061 12.952 1.829
64 H MET 9 H MET 9 13.681 11.164 6.863
65 HA MET 9 HA MET 9 11.555 11.631 8.845
66 HB2 MET 9 HB2 MET 9 14.498 11.309 9.425
67 HB3 MET 9 HB3 MET 9 13.163 11.253 10.568
68 HG2 MET 9 HG2 MET 9 12.427 9.235 9.006
69 HG3 MET 9 HG3 MET 9 14.163 9.182 8.710
70 HE1 MET 9 HE1 MET 9 11.543 7.494 10.782
71 HE2 MET 9 HE2 MET 9 11.899 7.951 12.448
72 HE3 MET 9 HE3 MET 9 11.343 9.169 11.298
73 H GLN 10 H GLN 10 12.018 13.424 10.404
74 HA GLN 10 HA GLN 10 13.109 15.728 8.937
75 HB2 GLN 10 HB2 GLN 10 11.143 15.718 11.234
76 HB3 GLN 10 HB3 GLN 10 11.657 17.123 10.308
77 HG2 GLN 10 HG2 GLN 10 10.412 14.836 8.870
78 HG3 GLN 10 HG3 GLN 10 9.385 15.919 9.808
79 HE21 GLN 10 HE21 GLN 10 11.963 15.983 7.378
80 HE22 GLN 10 HE22 GLN 10 11.337 17.330 6.497
81 H GLY 11 H GLY 11 15.115 16.205 9.552
82 HA2 GLY 11 HA2 GLY 11 15.695 16.219 12.448
83 HA3 GLY 11 HA3 GLY 11 16.846 15.569 11.289
84 H GLU 12 H GLU 12 17.590 17.564 13.026
85 HA GLU 12 HA GLU 12 17.659 19.974 11.338
86 HB2 GLU 12 HB2 GLU 12 16.700 20.391 13.527
87 HB3 GLU 12 HB3 GLU 12 18.094 19.662 14.312
88 HG2 GLU 12 HG2 GLU 12 19.518 21.447 13.468
89 HG3 GLU 12 HG3 GLU 12 18.134 22.174 12.654
90 H VAL 13 H VAL 13 19.582 20.859 10.724
91 HA VAL 13 HA VAL 13 21.848 19.181 10.583
92 HB VAL 13 HB VAL 13 21.626 22.151 10.078
93 HG11 VAL 13 HG11 VAL 13 23.834 20.190 9.505
94 HG12 VAL 13 HG12 VAL 13 23.689 21.742 8.677
95 HG13 VAL 13 HG13 VAL 13 23.922 21.691 10.425
96 HG21 VAL 13 HG21 VAL 13 20.212 20.547 8.702
97 HG22 VAL 13 HG22 VAL 13 21.276 21.632 7.807
98 HG23 VAL 13 HG23 VAL 13 21.731 19.944 8.040
99 H ILE 14 H ILE 14 23.653 19.034 11.796
100 HA ILE 14 HA ILE 14 23.873 20.838 14.117
101 HB ILE 14 HB ILE 14 23.257 18.504 14.724
102 HG12 ILE 14 HG12 ILE 14 26.006 19.395 15.621
103 HG13 ILE 14 HG13 ILE 14 24.477 19.950 16.295
104 HG21 ILE 14 HG21 ILE 14 26.017 17.769 13.774
105 HG22 ILE 14 HG22 ILE 14 24.778 16.696 14.422
106 HG23 ILE 14 HG23 ILE 14 24.548 17.459 12.849
107 HD11 ILE 14 HD11 ILE 14 25.941 17.437 16.729
108 HD12 ILE 14 HD12 ILE 14 24.912 18.363 17.822
109 HD13 ILE 14 HD13 ILE 14 24.186 17.303 16.614
110 H GLU 15 H GLU 15 25.517 19.186 11.521
111 HA GLU 15 HA GLU 15 27.819 20.935 11.901
112 HB2 GLU 15 HB2 GLU 15 28.053 18.510 12.966
113 HB3 GLU 15 HB3 GLU 15 28.427 18.079 11.303
114 HG2 GLU 15 HG2 GLU 15 29.835 20.347 12.649
115 HG3 GLU 15 HG3 GLU 15 30.350 18.680 12.901
116 H ASN 16 H ASN 16 29.007 21.325 10.016
117 HA ASN 16 HA ASN 16 27.920 20.165 7.542
118 HB2 ASN 16 HB2 ASN 16 28.420 22.564 6.590
119 HB3 ASN 16 HB3 ASN 16 26.902 22.240 7.422
120 HD21 ASN 16 HD21 ASN 16 26.615 23.007 9.537
121 HD22 ASN 16 HD22 ASN 16 27.577 24.298 10.163
122 H LEU 17 H LEU 17 29.384 19.737 5.946
123 HA LEU 17 HA LEU 17 32.127 20.683 6.228
124 HB2 LEU 17 HB2 LEU 17 31.247 17.839 6.434
125 HB3 LEU 17 HB3 LEU 17 32.803 18.213 5.698
126 HG LEU 17 HG LEU 17 31.995 18.999 8.496
127 HD11 LEU 17 HD11 LEU 17 33.364 17.210 9.283
128 HD12 LEU 17 HD12 LEU 17 33.875 16.806 7.645
129 HD13 LEU 17 HD13 LEU 17 32.204 16.538 8.138
130 HD21 LEU 17 HD21 LEU 17 33.645 20.489 7.518
131 HD22 LEU 17 HD22 LEU 17 34.642 19.110 7.053
132 HD23 LEU 17 HD23 LEU 17 34.387 19.479 8.759
133 HA PRO 18 HA PRO 18 32.090 20.825 1.842
134 HB2 PRO 18 HB2 PRO 18 34.657 20.192 1.227
135 HB3 PRO 18 HB3 PRO 18 34.197 21.736 1.953
136 HG2 PRO 18 HG2 PRO 18 35.328 19.291 3.258
137 HG3 PRO 18 HG3 PRO 18 35.743 20.994 3.524
138 HD2 PRO 18 HD2 PRO 18 34.117 19.614 5.192
139 HD3 PRO 18 HD3 PRO 18 33.926 21.354 4.895
140 H ASN 19 H ASN 19 33.283 19.453 -0.091
141 HA ASN 19 HA ASN 19 33.230 17.548 -1.331
142 HB2 ASN 19 HB2 ASN 19 33.163 15.911 1.189
143 HB3 ASN 19 HB3 ASN 19 33.933 15.538 -0.351
144 HD21 ASN 19 HD21 ASN 19 35.505 17.525 -0.940
145 HD22 ASN 19 HD22 ASN 19 36.665 17.843 0.301
146 H ALA 20 H ALA 20 30.777 18.824 -0.484
147 HA ALA 20 HA ALA 20 28.519 18.500 -0.452
148 HB1 ALA 20 HB1 ALA 20 29.400 17.398 -2.667
149 HB2 ALA 20 HB2 ALA 20 28.851 15.913 -1.889
150 HB3 ALA 20 HB3 ALA 20 27.714 17.229 -2.180
151 H THR 21 H THR 21 29.221 17.937 1.940
152 HA THR 21 HA THR 21 27.743 15.506 2.626
153 HB THR 21 HB THR 21 30.287 16.137 4.100
154 HG1 THR 21 HG1 THR 21 31.405 14.838 2.715
155 HG21 THR 21 HG21 THR 21 28.737 13.570 3.732
156 HG22 THR 21 HG22 THR 21 28.615 14.634 5.134
157 HG23 THR 21 HG23 THR 21 30.135 13.813 4.779
158 H PHE 22 H PHE 22 26.678 15.581 4.602
159 HA PHE 22 HA PHE 22 27.040 17.839 6.371
160 HB2 PHE 22 HB2 PHE 22 24.574 17.512 4.672
161 HB3 PHE 22 HB3 PHE 22 24.533 18.380 6.204
162 HD1 PHE 22 HD2 PHE 22 25.815 20.462 6.481
163 HD2 PHE 22 HD1 PHE 22 25.553 18.468 2.730
164 HE1 PHE 22 HE2 PHE 22 26.587 22.504 5.345
165 HE2 PHE 22 HE1 PHE 22 26.326 20.506 1.588
166 HZ PHE 22 HZ PHE 22 26.843 22.528 2.896
167 H ARG 23 H ARG 23 25.870 17.624 8.364
168 HA ARG 23 HA ARG 23 24.792 14.924 8.831
169 HB2 ARG 23 HB2 ARG 23 26.934 16.398 10.270
170 HB3 ARG 23 HB3 ARG 23 25.810 15.463 11.248
171 HG2 ARG 23 HG2 ARG 23 26.343 13.534 9.628
172 HG3 ARG 23 HG3 ARG 23 27.739 14.512 9.170
173 HD2 ARG 23 HD2 ARG 23 28.185 14.646 11.710
174 HD3 ARG 23 HD3 ARG 23 27.086 13.271 11.819
175 HE ARG 23 HE ARG 23 28.896 12.557 9.901
176 HH11 ARG 23 HH11 ARG 23 29.091 13.581 13.223
177 HH12 ARG 23 HH12 ARG 23 30.531 12.676 13.554
178 HH21 ARG 23 HH21 ARG 23 30.791 11.361 10.324
179 HH22 ARG 23 HH22 ARG 23 31.497 11.413 11.904
180 H VAL 24 H VAL 24 22.909 14.822 9.908
181 HA VAL 24 HA VAL 24 21.981 17.184 11.381
182 HB VAL 24 HB VAL 24 19.810 17.146 10.372
183 HG11 VAL 24 HG11 VAL 24 20.438 18.333 8.584
184 HG12 VAL 24 HG12 VAL 24 22.089 17.923 9.053
185 HG13 VAL 24 HG13 VAL 24 21.249 16.953 7.843
186 HG21 VAL 24 HG21 VAL 24 19.584 14.743 10.056
187 HG22 VAL 24 HG22 VAL 24 19.226 15.602 8.557
188 HG23 VAL 24 HG23 VAL 24 20.777 14.787 8.757
189 H LYS 25 H LYS 25 20.702 16.757 13.138
190 HA LYS 25 HA LYS 25 20.497 13.932 13.895
191 HB2 LYS 25 HB2 LYS 25 21.692 15.404 15.451
192 HB3 LYS 25 HB3 LYS 25 20.272 16.434 15.580
193 HG2 LYS 25 HG2 LYS 25 19.041 14.411 16.458
194 HG3 LYS 25 HG3 LYS 25 20.615 13.620 16.574
195 HD2 LYS 25 HD2 LYS 25 19.939 16.250 17.887
196 HD3 LYS 25 HD3 LYS 25 19.839 14.684 18.696
197 HE2 LYS 25 HE2 LYS 25 22.190 14.329 18.441
198 HE3 LYS 25 HE3 LYS 25 22.345 15.744 17.402
199 HZ1 LYS 25 HZ1 LYS 25 23.085 16.105 19.722
200 HZ2 LYS 25 HZ2 LYS 25 21.494 15.861 20.243
201 HZ3 LYS 25 HZ3 LYS 25 21.862 17.168 19.234
202 H LEU 26 H LEU 26 18.588 12.934 14.157
203 HA LEU 26 HA LEU 26 16.191 14.304 13.335
204 HB2 LEU 26 HB2 LEU 26 16.237 11.534 14.458
205 HB3 LEU 26 HB3 LEU 26 15.187 12.215 13.217
206 HG LEU 26 HG LEU 26 17.696 12.335 12.070
207 HD11 LEU 26 HD11 LEU 26 19.019 10.695 12.778
208 HD12 LEU 26 HD12 LEU 26 17.695 9.531 12.785
209 HD13 LEU 26 HD13 LEU 26 17.964 10.567 14.186
210 HD21 LEU 26 HD21 LEU 26 16.737 11.054 10.460
211 HD22 LEU 26 HD22 LEU 26 15.279 11.470 11.362
212 HD23 LEU 26 HD23 LEU 26 16.059 9.908 11.617
213 H GLU 27 H GLU 27 14.462 12.620 15.044
214 HA GLU 27 HA GLU 27 14.439 14.393 17.363
215 HB2 GLU 27 HB2 GLU 27 12.170 13.767 17.673
216 HB3 GLU 27 HB3 GLU 27 12.385 14.003 15.944
217 HG2 GLU 27 HG2 GLU 27 11.192 12.061 15.959
218 HG3 GLU 27 HG3 GLU 27 12.837 11.427 15.955
219 H ASN 28 H ASN 28 14.815 11.019 16.517
220 HA ASN 28 HA ASN 28 14.534 9.901 19.081
221 HB2 ASN 28 HB2 ASN 28 15.834 9.035 16.531
222 HB3 ASN 28 HB3 ASN 28 16.168 8.126 18.002
223 HD21 ASN 28 HD21 ASN 28 14.325 8.119 15.367
224 HD22 ASN 28 HD22 ASN 28 12.915 7.319 15.963
225 H GLY 29 H GLY 29 16.975 11.874 17.759
226 HA2 GLY 29 HA2 GLY 29 18.647 12.868 19.128
227 HA3 GLY 29 HA3 GLY 29 18.601 11.449 20.165
228 H HIS 30 H HIS 30 18.622 10.718 16.848
229 HA HIS 30 HA HIS 30 21.454 9.959 17.040
230 HB2 HIS 30 HB2 HIS 30 19.302 8.926 15.181
231 HB3 HIS 30 HB3 HIS 30 20.964 8.348 15.245
232 HD1 HIS 30 HD1 HIS 30 18.456 6.538 15.777
233 HD2 HIS 30 HD2 HIS 30 20.814 8.314 18.701
234 HE1 HIS 30 HE1 HIS 30 18.126 5.145 17.845
235 H VAL 31 H VAL 31 22.933 10.592 15.528
236 HA VAL 31 HA VAL 31 22.076 12.739 13.727
237 HB VAL 31 HB VAL 31 24.530 13.216 13.527
238 HG11 VAL 31 HG11 VAL 31 22.903 13.473 15.974
239 HG12 VAL 31 HG12 VAL 31 24.628 13.801 16.151
240 HG13 VAL 31 HG13 VAL 31 23.671 14.714 14.983
241 HG21 VAL 31 HG21 VAL 31 24.738 10.704 14.790
242 HG22 VAL 31 HG22 VAL 31 26.043 11.787 14.306
243 HG23 VAL 31 HG23 VAL 31 25.357 11.901 15.927
244 H VAL 32 H VAL 32 22.008 12.467 11.594
245 HA VAL 32 HA VAL 32 23.112 9.988 10.472
246 HB VAL 32 HB VAL 32 21.643 10.453 8.524
247 HG11 VAL 32 HG11 VAL 32 20.363 10.273 11.244
248 HG12 VAL 32 HG12 VAL 32 19.489 10.013 9.732
249 HG13 VAL 32 HG13 VAL 32 20.822 8.947 10.177
250 HG21 VAL 32 HG21 VAL 32 21.515 13.013 9.625
251 HG22 VAL 32 HG22 VAL 32 20.619 12.407 8.232
252 HG23 VAL 32 HG23 VAL 32 19.901 12.335 9.841
253 H LEU 33 H LEU 33 24.569 9.988 8.823
254 HA LEU 33 HA LEU 33 25.552 12.616 7.922
255 HB2 LEU 33 HB2 LEU 33 27.781 11.561 7.717
256 HB3 LEU 33 HB3 LEU 33 27.184 11.644 9.373
257 HG LEU 33 HG LEU 33 26.407 9.177 8.859
258 HD11 LEU 33 HD11 LEU 33 27.697 9.786 6.480
259 HD12 LEU 33 HD12 LEU 33 27.236 8.183 7.054
260 HD13 LEU 33 HD13 LEU 33 28.857 8.802 7.372
261 HD21 LEU 33 HD21 LEU 33 28.375 10.311 10.336
262 HD22 LEU 33 HD22 LEU 33 29.316 9.276 9.261
263 HD23 LEU 33 HD23 LEU 33 28.050 8.579 10.272
264 H GLY 34 H GLY 34 25.867 12.920 5.772
265 HA2 GLY 34 HA2 GLY 34 26.261 10.900 3.861
266 HA3 GLY 34 HA3 GLY 34 24.543 11.263 3.931
267 H HIS 35 H HIS 35 24.811 11.926 1.694
268 HA HIS 35 HA HIS 35 25.983 14.619 1.458
269 HB2 HIS 35 HB2 HIS 35 26.192 14.129 -0.980
270 HB3 HIS 35 HB3 HIS 35 27.175 13.078 0.034
271 HD1 HIS 35 HD1 HIS 35 24.257 13.053 -2.284
272 HD2 HIS 35 HD2 HIS 35 26.394 10.376 0.067
273 HE1 HIS 35 HE1 HIS 35 23.516 10.767 -3.026
274 H ILE 36 H ILE 36 24.815 16.218 0.397
275 HA ILE 36 HA ILE 36 21.947 15.867 0.472
276 HB ILE 36 HB ILE 36 22.987 17.938 1.322
277 HG12 ILE 36 HG12 ILE 36 20.641 17.701 0.066
278 HG13 ILE 36 HG13 ILE 36 21.213 19.241 0.698
279 HG21 ILE 36 HG21 ILE 36 23.771 18.302 -1.561
280 HG22 ILE 36 HG22 ILE 36 23.761 19.612 -0.383
281 HG23 ILE 36 HG23 ILE 36 24.829 18.228 -0.153
282 HD11 ILE 36 HD11 ILE 36 20.261 19.119 -1.697
283 HD12 ILE 36 HD12 ILE 36 21.725 20.056 -1.398
284 HD13 ILE 36 HD13 ILE 36 21.838 18.446 -2.109
285 H SER 37 H SER 37 20.528 16.092 -1.254
286 HA SER 37 HA SER 37 21.612 16.364 -3.943
287 HB2 SER 37 HB2 SER 37 21.683 13.920 -3.382
288 HB3 SER 37 HB3 SER 37 19.931 13.964 -3.187
289 HG SER 37 HG SER 37 21.041 13.413 -5.360
290 H GLY 38 H GLY 38 20.056 16.921 -5.516
291 HA2 GLY 38 HA2 GLY 38 17.515 17.010 -5.837
292 HA3 GLY 38 HA3 GLY 38 17.548 17.931 -4.341
293 H LYS 39 H LYS 39 16.453 19.545 -5.721
294 HA LYS 39 HA LYS 39 18.168 20.925 -7.629
295 HB2 LYS 39 HB2 LYS 39 16.240 22.144 -8.286
296 HB3 LYS 39 HB3 LYS 39 15.714 20.482 -8.054
297 HG2 LYS 39 HG2 LYS 39 14.803 21.061 -5.872
298 HG3 LYS 39 HG3 LYS 39 15.354 22.725 -6.076
299 HD2 LYS 39 HD2 LYS 39 13.947 22.538 -8.308
300 HD3 LYS 39 HD3 LYS 39 13.105 21.286 -7.391
301 HE2 LYS 39 HE2 LYS 39 13.595 24.039 -6.288
302 HE3 LYS 39 HE3 LYS 39 12.172 23.651 -7.252
303 HZ1 LYS 39 HZ1 LYS 39 12.048 23.481 -4.699
304 HZ2 LYS 39 HZ2 LYS 39 12.855 22.009 -4.905
305 HZ3 LYS 39 HZ3 LYS 39 11.348 22.256 -5.633
306 H MET 40 H MET 40 17.025 21.224 -4.374
307 HA MET 40 HA MET 40 17.265 23.947 -3.915
308 HB2 MET 40 HB2 MET 40 17.460 21.506 -2.242
309 HB3 MET 40 HB3 MET 40 18.123 22.983 -1.555
310 HG2 MET 40 HG2 MET 40 15.860 22.739 -0.832
311 HG3 MET 40 HG3 MET 40 15.956 24.096 -1.952
312 HE1 MET 40 HE1 MET 40 13.122 23.990 -2.537
313 HE2 MET 40 HE2 MET 40 12.409 22.384 -2.388
314 HE3 MET 40 HE3 MET 40 13.385 23.042 -1.074
315 H ARG 41 H ARG 41 19.713 21.613 -4.547
316 HA ARG 41 HA ARG 41 21.855 23.246 -3.467
317 HB2 ARG 41 HB2 ARG 41 23.314 21.461 -4.025
318 HB3 ARG 41 HB3 ARG 41 21.843 20.715 -3.414
319 HG2 ARG 41 HG2 ARG 41 21.167 20.589 -5.912
320 HG3 ARG 41 HG3 ARG 41 22.892 20.814 -6.207
321 HD2 ARG 41 HD2 ARG 41 23.277 18.883 -4.616
322 HD3 ARG 41 HD3 ARG 41 21.540 18.591 -4.697
323 HE ARG 41 HE ARG 41 22.243 18.622 -7.292
324 HH11 ARG 41 HH11 ARG 41 23.543 16.954 -4.526
325 HH12 ARG 41 HH12 ARG 41 24.089 15.589 -5.443
326 HH21 ARG 41 HH21 ARG 41 22.958 16.830 -8.510
327 HH22 ARG 41 HH22 ARG 41 23.757 15.520 -7.708
328 H MET 42 H MET 42 20.266 22.685 -6.489
329 HA MET 42 HA MET 42 22.378 23.771 -8.116
330 HB2 MET 42 HB2 MET 42 19.540 22.932 -8.638
331 HB3 MET 42 HB3 MET 42 20.466 23.794 -9.860
332 HG2 MET 42 HG2 MET 42 22.191 22.017 -9.727
333 HG3 MET 42 HG3 MET 42 21.136 21.135 -8.625
334 HE1 MET 42 HE1 MET 42 22.556 20.685 -11.529
335 HE2 MET 42 HE2 MET 42 21.404 20.233 -12.786
336 HE3 MET 42 HE3 MET 42 21.796 21.932 -12.517
337 H HIS 43 H HIS 43 19.533 24.964 -6.494
338 HA HIS 43 HA HIS 43 19.599 27.516 -7.866
339 HB2 HIS 43 HB2 HIS 43 17.922 26.524 -5.552
340 HB3 HIS 43 HB3 HIS 43 17.738 28.102 -6.312
341 HD1 HIS 43 HD1 HIS 43 17.564 27.638 -9.183
342 HD2 HIS 43 HD2 HIS 43 15.990 24.899 -6.483
343 HE1 HIS 43 HE1 HIS 43 15.854 26.324 -10.477
344 H TYR 44 H TYR 44 21.236 26.107 -5.308
345 HA TYR 44 HA TYR 44 22.678 26.901 -3.739
346 HB2 TYR 44 HB2 TYR 44 22.402 29.606 -5.046
347 HB3 TYR 44 HB3 TYR 44 23.767 28.986 -4.124
348 HD1 TYR 44 HD2 TYR 44 24.423 26.464 -5.236
349 HD2 TYR 44 HD1 TYR 44 22.979 29.921 -7.253
350 HE1 TYR 44 HE2 TYR 44 25.479 25.684 -7.316
351 HE2 TYR 44 HE1 TYR 44 24.029 29.150 -9.339
352 HH TYR 44 HH TYR 44 24.804 26.349 -10.081
353 H ILE 45 H ILE 45 20.612 26.538 -2.440
354 HA ILE 45 HA ILE 45 19.287 28.922 -1.487
355 HB ILE 45 HB ILE 45 17.985 27.456 -0.078
356 HG12 ILE 45 HG12 ILE 45 18.651 24.867 -0.609
357 HG13 ILE 45 HG13 ILE 45 20.242 25.620 -0.571
358 HG21 ILE 45 HG21 ILE 45 17.161 27.553 -2.281
359 HG22 ILE 45 HG22 ILE 45 18.421 26.478 -2.885
360 HG23 ILE 45 HG23 ILE 45 17.143 25.843 -1.848
361 HD11 ILE 45 HD11 ILE 45 20.007 26.265 1.655
362 HD12 ILE 45 HD12 ILE 45 18.258 26.040 1.631
363 HD13 ILE 45 HD13 ILE 45 19.328 24.639 1.594
364 H ARG 46 H ARG 46 19.139 29.390 0.851
365 HA ARG 46 HA ARG 46 21.743 29.659 1.976
366 HB2 ARG 46 HB2 ARG 46 20.568 30.714 3.876
367 HB3 ARG 46 HB3 ARG 46 20.072 31.382 2.326
368 HG2 ARG 46 HG2 ARG 46 18.178 29.550 2.554
369 HG3 ARG 46 HG3 ARG 46 18.541 29.750 4.270
370 HD2 ARG 46 HD2 ARG 46 17.841 31.980 2.362
371 HD3 ARG 46 HD3 ARG 46 16.726 31.231 3.504
372 HE ARG 46 HE ARG 46 18.679 33.223 4.079
373 HH11 ARG 46 HH11 ARG 46 17.026 30.463 5.408
374 HH12 ARG 46 HH12 ARG 46 17.202 30.984 7.051
375 HH21 ARG 46 HH21 ARG 46 18.917 33.921 6.238
376 HH22 ARG 46 HH22 ARG 46 18.276 32.952 7.521
377 H ILE 47 H ILE 47 22.815 28.209 3.130
378 HA ILE 47 HA ILE 47 21.279 26.207 4.655
379 HB ILE 47 HB ILE 47 23.956 25.816 3.311
380 HG12 ILE 47 HG12 ILE 47 21.237 24.645 2.684
381 HG13 ILE 47 HG13 ILE 47 22.078 25.858 1.726
382 HG21 ILE 47 HG21 ILE 47 23.734 23.479 4.024
383 HG22 ILE 47 HG22 ILE 47 23.807 24.582 5.397
384 HG23 ILE 47 HG23 ILE 47 22.261 23.895 4.901
385 HD11 ILE 47 HD11 ILE 47 22.633 22.951 2.017
386 HD12 ILE 47 HD12 ILE 47 22.552 23.947 0.563
387 HD13 ILE 47 HD13 ILE 47 23.955 24.050 1.626
388 H LEU 48 H LEU 48 21.940 25.730 6.718
389 HA LEU 48 HA LEU 48 24.419 26.590 7.816
390 HB2 LEU 48 HB2 LEU 48 23.134 28.093 9.540
391 HB3 LEU 48 HB3 LEU 48 23.722 28.750 8.014
392 HG LEU 48 HG LEU 48 21.440 28.483 7.076
393 HD11 LEU 48 HD11 LEU 48 20.528 26.739 8.393
394 HD12 LEU 48 HD12 LEU 48 19.595 28.189 8.761
395 HD13 LEU 48 HD13 LEU 48 20.823 27.621 9.891
396 HD21 LEU 48 HD21 LEU 48 22.356 30.567 8.265
397 HD22 LEU 48 HD22 LEU 48 21.290 30.107 9.593
398 HD23 LEU 48 HD23 LEU 48 20.616 30.458 8.001
399 HA PRO 49 HA PRO 49 23.409 23.583 10.847
400 HB2 PRO 49 HB2 PRO 49 24.659 24.546 13.056
401 HB3 PRO 49 HB3 PRO 49 25.531 23.854 11.683
402 HG2 PRO 49 HG2 PRO 49 25.039 26.728 12.361
403 HG3 PRO 49 HG3 PRO 49 26.524 25.955 11.777
404 HD2 PRO 49 HD2 PRO 49 24.870 27.347 10.147
405 HD3 PRO 49 HD3 PRO 49 25.811 25.951 9.586
406 H GLY 50 H GLY 50 21.566 23.197 11.899
407 HA2 GLY 50 HA2 GLY 50 20.170 23.594 13.835
408 HA3 GLY 50 HA3 GLY 50 20.468 25.314 13.633
409 H ASP 51 H ASP 51 19.965 23.798 10.673
410 HA ASP 51 HA ASP 51 17.247 24.888 10.559
411 HB2 ASP 51 HB2 ASP 51 18.816 25.718 8.873
412 HB3 ASP 51 HB3 ASP 51 19.126 24.070 8.333
413 H LYS 52 H LYS 52 15.490 23.677 9.966
414 HA LYS 52 HA LYS 52 15.710 20.833 10.372
415 HB2 LYS 52 HB2 LYS 52 13.417 22.721 9.907
416 HB3 LYS 52 HB3 LYS 52 13.176 20.979 9.868
417 HG2 LYS 52 HG2 LYS 52 14.432 21.117 12.191
418 HG3 LYS 52 HG3 LYS 52 13.796 22.763 12.156
419 HD2 LYS 52 HD2 LYS 52 11.988 21.788 13.097
420 HD3 LYS 52 HD3 LYS 52 11.595 21.391 11.423
421 HE2 LYS 52 HE2 LYS 52 12.470 19.196 11.651
422 HE3 LYS 52 HE3 LYS 52 13.209 19.580 13.205
423 HZ1 LYS 52 HZ1 LYS 52 10.981 19.860 14.132
424 HZ2 LYS 52 HZ2 LYS 52 11.202 18.301 13.514
425 HZ3 LYS 52 HZ3 LYS 52 10.295 19.434 12.645
426 H VAL 53 H VAL 53 15.992 19.357 8.842
427 HA VAL 53 HA VAL 53 15.022 19.890 6.128
428 HB VAL 53 HB VAL 53 17.062 19.152 5.090
429 HG11 VAL 53 HG11 VAL 53 18.247 21.032 7.027
430 HG12 VAL 53 HG12 VAL 53 18.142 21.126 5.268
431 HG13 VAL 53 HG13 VAL 53 16.749 21.558 6.260
432 HG21 VAL 53 HG21 VAL 53 17.843 18.486 7.889
433 HG22 VAL 53 HG22 VAL 53 18.039 17.545 6.410
434 HG23 VAL 53 HG23 VAL 53 19.099 18.918 6.729
435 H THR 54 H THR 54 14.914 17.937 4.789
436 HA THR 54 HA THR 54 14.053 15.667 6.390
437 HB THR 54 HB THR 54 13.885 15.300 3.507
438 HG1 THR 54 HG1 THR 54 13.352 17.305 3.066
439 HG21 THR 54 HG21 THR 54 11.976 14.263 4.081
440 HG22 THR 54 HG22 THR 54 11.422 15.625 5.055
441 HG23 THR 54 HG23 THR 54 12.544 14.450 5.739
442 H VAL 55 H VAL 55 14.854 13.577 6.195
443 HA VAL 55 HA VAL 55 17.209 13.146 4.520
444 HB VAL 55 HB VAL 55 18.375 12.040 6.469
445 HG11 VAL 55 HG11 VAL 55 19.531 13.959 6.970
446 HG12 VAL 55 HG12 VAL 55 18.690 14.459 5.502
447 HG13 VAL 55 HG13 VAL 55 18.070 14.940 7.082
448 HG21 VAL 55 HG21 VAL 55 17.415 11.930 8.470
449 HG22 VAL 55 HG22 VAL 55 17.161 13.675 8.495
450 HG23 VAL 55 HG23 VAL 55 15.954 12.618 7.762
451 H GLU 56 H GLU 56 17.337 11.124 3.715
452 HA GLU 56 HA GLU 56 15.256 9.231 4.547
453 HB2 GLU 56 HB2 GLU 56 16.107 10.085 2.028
454 HB3 GLU 56 HB3 GLU 56 16.756 8.459 2.187
455 HG2 GLU 56 HG2 GLU 56 14.640 7.507 2.417
456 HG3 GLU 56 HG3 GLU 56 13.885 9.055 2.791
457 H LEU 57 H LEU 57 15.744 7.388 5.552
458 HA LEU 57 HA LEU 57 18.586 6.652 5.772
459 HB2 LEU 57 HB2 LEU 57 16.329 6.656 7.665
460 HB3 LEU 57 HB3 LEU 57 17.394 5.254 7.754
461 HG LEU 57 HG LEU 57 18.334 8.111 7.985
462 HD11 LEU 57 HD11 LEU 57 18.628 6.797 10.430
463 HD12 LEU 57 HD12 LEU 57 16.987 6.434 9.896
464 HD13 LEU 57 HD13 LEU 57 17.514 8.110 10.047
465 HD21 LEU 57 HD21 LEU 57 19.801 5.698 8.952
466 HD22 LEU 57 HD22 LEU 57 20.424 7.275 8.466
467 HD23 LEU 57 HD23 LEU 57 19.866 6.132 7.244
468 H THR 58 H THR 58 19.256 4.655 5.200
469 HA THR 58 HA THR 58 17.249 2.880 3.998
470 HB THR 58 HB THR 58 19.530 1.771 3.163
471 HG1 THR 58 HG1 THR 58 21.076 3.065 3.922
472 HG21 THR 58 HG21 THR 58 19.202 4.012 1.459
473 HG22 THR 58 HG22 THR 58 17.611 3.588 2.090
474 HG23 THR 58 HG23 THR 58 18.576 2.378 1.245
475 HA PRO 59 HA PRO 59 17.794 -0.301 6.971
476 HB2 PRO 59 HB2 PRO 59 17.713 -2.540 5.438
477 HB3 PRO 59 HB3 PRO 59 16.287 -1.548 5.766
478 HG2 PRO 59 HG2 PRO 59 18.051 -1.586 3.348
479 HG3 PRO 59 HG3 PRO 59 16.282 -1.507 3.441
480 HD2 PRO 59 HD2 PRO 59 17.817 0.678 2.991
481 HD3 PRO 59 HD3 PRO 59 16.281 0.756 3.879
482 H TYR 60 H TYR 60 20.039 -0.046 4.343
483 HA TYR 60 HA TYR 60 21.835 -2.087 4.930
484 HB2 TYR 60 HB2 TYR 60 22.141 0.616 3.662
485 HB3 TYR 60 HB3 TYR 60 23.554 -0.392 3.950
486 HD1 TYR 60 HD1 TYR 60 20.226 -0.396 2.286
487 HD2 TYR 60 HD2 TYR 60 24.136 -2.067 2.427
488 HE1 TYR 60 HE1 TYR 60 19.776 -1.610 0.195
489 HE2 TYR 60 HE2 TYR 60 23.697 -3.285 0.335
490 HH TYR 60 HH TYR 60 21.269 -2.573 -1.732
491 H ASP 61 H ASP 61 21.619 1.190 6.249
492 HA ASP 61 HA ASP 61 22.905 0.363 8.679
493 HB2 ASP 61 HB2 ASP 61 24.403 1.861 6.606
494 HB3 ASP 61 HB3 ASP 61 24.565 2.447 8.259
495 H LEU 62 H LEU 62 22.765 1.943 10.348
496 HA LEU 62 HA LEU 62 20.680 3.935 9.827
497 HB2 LEU 62 HB2 LEU 62 20.658 2.096 11.700
498 HB3 LEU 62 HB3 LEU 62 21.660 3.262 12.562
499 HG LEU 62 HG LEU 62 19.061 4.176 11.424
500 HD11 LEU 62 HD11 LEU 62 18.031 3.516 13.646
501 HD12 LEU 62 HD12 LEU 62 19.397 2.417 13.836
502 HD13 LEU 62 HD13 LEU 62 18.290 2.220 12.477
503 HD21 LEU 62 HD21 LEU 62 19.650 5.989 12.557
504 HD22 LEU 62 HD22 LEU 62 21.086 5.170 13.174
505 HD23 LEU 62 HD23 LEU 62 19.562 5.063 14.056
506 H SER 63 H SER 63 24.014 3.675 10.349
507 HA SER 63 HA SER 63 24.263 6.378 11.430
508 HB2 SER 63 HB2 SER 63 26.527 4.501 10.750
509 HB3 SER 63 HB3 SER 63 26.545 5.872 11.860
510 HG SER 63 HG SER 63 26.385 3.766 12.876
511 H ARG 64 H ARG 64 23.195 6.160 8.825
512 HA ARG 64 HA ARG 64 24.757 8.038 7.445
513 HB2 ARG 64 HB2 ARG 64 25.417 6.642 5.487
514 HB3 ARG 64 HB3 ARG 64 26.286 6.246 6.964
515 HG2 ARG 64 HG2 ARG 64 24.630 4.376 7.299
516 HG3 ARG 64 HG3 ARG 64 24.063 4.704 5.660
517 HD2 ARG 64 HD2 ARG 64 26.781 3.772 6.543
518 HD3 ARG 64 HD3 ARG 64 25.641 2.953 5.476
519 HE ARG 64 HE ARG 64 27.577 4.899 4.730
520 HH11 ARG 64 HH11 ARG 64 24.385 3.724 3.990
521 HH12 ARG 64 HH12 ARG 64 24.435 4.243 2.338
522 HH21 ARG 64 HH21 ARG 64 27.656 5.587 2.557
523 HH22 ARG 64 HH22 ARG 64 26.297 5.302 1.523
524 H ALA 65 H ALA 65 23.181 9.198 6.575
525 HA ALA 65 HA ALA 65 21.100 7.822 5.027
526 HB1 ALA 65 HB1 ALA 65 19.990 10.141 6.301
527 HB2 ALA 65 HB2 ALA 65 19.448 8.463 6.363
528 HB3 ALA 65 HB3 ALA 65 20.654 9.043 7.512
529 H ARG 66 H ARG 66 20.107 9.115 3.388
530 HA ARG 66 HA ARG 66 21.945 10.980 2.195
531 HB2 ARG 66 HB2 ARG 66 20.433 10.978 0.304
532 HB3 ARG 66 HB3 ARG 66 20.685 9.326 0.852
533 HG2 ARG 66 HG2 ARG 66 18.528 9.503 2.105
534 HG3 ARG 66 HG3 ARG 66 18.270 11.057 1.310
535 HD2 ARG 66 HD2 ARG 66 18.591 8.377 -0.034
536 HD3 ARG 66 HD3 ARG 66 17.099 9.304 0.116
537 HE ARG 66 HE ARG 66 18.907 10.950 -1.168
538 HH11 ARG 66 HH11 ARG 66 17.406 7.862 -1.747
539 HH12 ARG 66 HH12 ARG 66 17.445 8.021 -3.472
540 HH21 ARG 66 HH21 ARG 66 18.964 11.170 -3.438
541 HH22 ARG 66 HH22 ARG 66 18.332 9.902 -4.433
542 H ILE 67 H ILE 67 21.886 13.133 2.291
543 HA ILE 67 HA ILE 67 19.946 14.437 3.954
544 HB ILE 67 HB ILE 67 22.304 15.424 2.373
545 HG12 ILE 67 HG12 ILE 67 22.978 16.137 4.735
546 HG13 ILE 67 HG13 ILE 67 21.625 15.163 5.301
547 HG21 ILE 67 HG21 ILE 67 21.845 17.655 3.453
548 HG22 ILE 67 HG22 ILE 67 20.754 17.200 2.146
549 HG23 ILE 67 HG23 ILE 67 20.231 17.051 3.823
550 HD11 ILE 67 HD11 ILE 67 23.338 13.716 3.463
551 HD12 ILE 67 HD12 ILE 67 24.197 14.295 4.891
552 HD13 ILE 67 HD13 ILE 67 22.769 13.276 5.074
553 H VAL 68 H VAL 68 18.276 15.738 3.382
554 HA VAL 68 HA VAL 68 17.776 16.107 0.500
555 HB VAL 68 HB VAL 68 15.538 15.795 2.476
556 HG11 VAL 68 HG11 VAL 68 14.568 14.830 0.221
557 HG12 VAL 68 HG12 VAL 68 14.625 16.567 0.525
558 HG13 VAL 68 HG13 VAL 68 15.857 15.806 -0.482
559 HG21 VAL 68 HG21 VAL 68 17.323 13.704 1.433
560 HG22 VAL 68 HG22 VAL 68 16.279 13.701 2.855
561 HG23 VAL 68 HG23 VAL 68 15.598 13.377 1.261
562 H PHE 69 H PHE 69 16.293 17.914 0.010
563 HA PHE 69 HA PHE 69 17.171 20.328 0.986
564 HB2 PHE 69 HB2 PHE 69 14.911 21.213 0.104
565 HB3 PHE 69 HB3 PHE 69 15.990 20.416 -1.036
566 HD1 PHE 69 HD2 PHE 69 13.314 19.420 1.372
567 HD2 PHE 69 HD1 PHE 69 14.984 19.001 -2.521
568 HE1 PHE 69 HE2 PHE 69 11.514 17.853 0.772
569 HE2 PHE 69 HE1 PHE 69 13.186 17.434 -3.127
570 HZ PHE 69 HZ PHE 69 11.449 16.857 -1.479
571 H ARG 70 H ARG 70 15.911 22.008 2.168
572 HA ARG 70 HA ARG 70 15.427 21.290 4.786
573 HB2 ARG 70 HB2 ARG 70 14.324 23.486 5.031
574 HB3 ARG 70 HB3 ARG 70 15.834 23.593 4.137
575 HG2 ARG 70 HG2 ARG 70 14.579 24.869 2.769
576 HG3 ARG 70 HG3 ARG 70 14.143 23.300 2.087
577 HD2 ARG 70 HD2 ARG 70 12.161 24.662 2.468
578 HD3 ARG 70 HD3 ARG 70 12.153 23.238 3.507
579 HE ARG 70 HE ARG 70 12.302 24.609 5.342
580 HH11 ARG 70 HH11 ARG 70 12.980 26.443 2.462
581 HH12 ARG 70 HH12 ARG 70 12.961 27.973 3.274
582 HH21 ARG 70 HH21 ARG 70 12.274 26.618 6.423
583 HH22 ARG 70 HH22 ARG 70 12.560 28.071 5.527
584 H ALA 71 H ALA 71 13.504 21.140 6.045
585 HA ALA 71 HA ALA 71 11.453 19.592 4.783
586 HB1 ALA 71 HB1 ALA 71 11.693 20.644 7.598
587 HB2 ALA 71 HB2 ALA 71 10.449 19.523 7.043
588 HB3 ALA 71 HB3 ALA 71 12.144 19.039 7.024
589 H LYS 72 H LYS 72 9.521 20.220 4.043
590 HA LYS 72 HA LYS 72 8.864 23.057 4.142
591 HB2 LYS 72 HB2 LYS 72 8.814 21.612 2.021
592 HB3 LYS 72 HB3 LYS 72 7.330 20.924 2.669
593 HG2 LYS 72 HG2 LYS 72 6.387 23.227 2.768
594 HG3 LYS 72 HG3 LYS 72 7.835 23.799 1.936
595 HD2 LYS 72 HD2 LYS 72 6.282 21.543 0.755
596 HD3 LYS 72 HD3 LYS 72 5.661 23.187 0.593
597 HE2 LYS 72 HE2 LYS 72 6.940 22.980 -1.313
598 HE3 LYS 72 HE3 LYS 72 8.081 23.729 -0.198
599 HZ1 LYS 72 HZ1 LYS 72 8.348 21.311 -1.564
600 HZ2 LYS 72 HZ2 LYS 72 8.242 20.943 0.084
601 HZ3 LYS 72 HZ3 LYS 72 9.430 22.013 -0.469
Start of MODEL 9
1 H1 MET 1 H MET 1 9.556 -7.929 -9.745
2 HA MET 1 HA MET 1 12.062 -8.439 -8.807
3 HB2 MET 1 HB2 MET 1 12.894 -7.030 -10.738
4 HB3 MET 1 HB3 MET 1 11.744 -8.294 -11.153
5 HG2 MET 1 HG2 MET 1 9.946 -6.577 -11.128
6 HG3 MET 1 HG3 MET 1 11.189 -5.351 -10.891
7 HE1 MET 1 HE1 MET 1 12.485 -4.215 -13.089
8 HE2 MET 1 HE2 MET 1 13.394 -5.546 -12.373
9 HE3 MET 1 HE3 MET 1 13.227 -5.435 -14.126
10 H ALA 2 H ALA 2 10.227 -5.529 -8.406
11 HA ALA 2 HA ALA 2 12.524 -4.304 -7.020
12 HB1 ALA 2 HB1 ALA 2 10.524 -3.109 -8.876
13 HB2 ALA 2 HB2 ALA 2 11.178 -2.118 -7.572
14 HB3 ALA 2 HB3 ALA 2 12.263 -2.837 -8.762
15 H LYS 3 H LYS 3 12.023 -2.996 -5.172
16 HA LYS 3 HA LYS 3 9.388 -3.541 -3.978
17 HB2 LYS 3 HB2 LYS 3 11.966 -3.518 -2.412
18 HB3 LYS 3 HB3 LYS 3 10.373 -4.008 -1.852
19 HG2 LYS 3 HG2 LYS 3 11.961 -5.442 -3.971
20 HG3 LYS 3 HG3 LYS 3 11.891 -5.906 -2.269
21 HD2 LYS 3 HD2 LYS 3 9.326 -5.557 -3.733
22 HD3 LYS 3 HD3 LYS 3 10.293 -6.992 -4.082
23 HE2 LYS 3 HE2 LYS 3 10.148 -7.763 -1.877
24 HE3 LYS 3 HE3 LYS 3 9.649 -6.187 -1.264
25 HZ1 LYS 3 HZ1 LYS 3 8.042 -8.321 -2.184
26 HZ2 LYS 3 HZ2 LYS 3 7.745 -6.946 -3.123
27 HZ3 LYS 3 HZ3 LYS 3 7.567 -6.877 -1.443
28 H ASP 4 H ASP 4 9.120 -2.105 -1.931
29 HA ASP 4 HA ASP 4 10.258 0.561 -2.416
30 HB2 ASP 4 HB2 ASP 4 7.350 0.061 -1.760
31 HB3 ASP 4 HB3 ASP 4 8.106 1.613 -2.113
32 H ASP 5 H ASP 5 11.618 0.429 -0.655
33 HA ASP 5 HA ASP 5 10.275 0.407 1.965
34 HB2 ASP 5 HB2 ASP 5 13.080 -0.616 1.574
35 HB3 ASP 5 HB3 ASP 5 12.002 -0.865 2.945
36 H VAL 6 H VAL 6 10.272 2.768 1.406
37 HA VAL 6 HA VAL 6 12.785 3.988 2.337
38 HB VAL 6 HB VAL 6 12.174 5.982 0.888
39 HG11 VAL 6 HG11 VAL 6 12.804 3.525 -0.721
40 HG12 VAL 6 HG12 VAL 6 13.399 5.172 -0.945
41 HG13 VAL 6 HG13 VAL 6 13.950 4.213 0.429
42 HG21 VAL 6 HG21 VAL 6 9.841 5.236 0.462
43 HG22 VAL 6 HG22 VAL 6 10.736 5.634 -1.005
44 HG23 VAL 6 HG23 VAL 6 10.482 3.947 -0.556
45 H ILE 7 H ILE 7 12.577 5.864 3.598
46 HA ILE 7 HA ILE 7 9.920 6.806 4.296
47 HB ILE 7 HB ILE 7 10.279 6.514 6.718
48 HG12 ILE 7 HG12 ILE 7 12.123 4.444 6.889
49 HG13 ILE 7 HG13 ILE 7 12.877 5.581 5.777
50 HG21 ILE 7 HG21 ILE 7 9.575 4.267 6.819
51 HG22 ILE 7 HG22 ILE 7 9.031 4.865 5.252
52 HG23 ILE 7 HG23 ILE 7 10.463 3.841 5.356
53 HD11 ILE 7 HD11 ILE 7 11.849 7.087 7.922
54 HD12 ILE 7 HD12 ILE 7 12.691 5.699 8.611
55 HD13 ILE 7 HD13 ILE 7 13.535 6.784 7.505
56 H GLN 8 H GLN 8 9.950 8.938 4.591
57 HA GLN 8 HA GLN 8 12.526 10.289 4.757
58 HB2 GLN 8 HB2 GLN 8 11.238 12.332 4.275
59 HB3 GLN 8 HB3 GLN 8 10.956 11.078 3.075
60 HG2 GLN 8 HG2 GLN 8 8.850 10.501 4.213
61 HG3 GLN 8 HG3 GLN 8 9.126 11.824 5.344
62 HE21 GLN 8 HE21 GLN 8 6.835 11.911 4.052
63 HE22 GLN 8 HE22 GLN 8 6.844 13.101 2.800
64 H MET 9 H MET 9 13.313 11.140 6.567
65 HA MET 9 HA MET 9 11.517 11.368 8.887
66 HB2 MET 9 HB2 MET 9 14.335 10.520 8.567
67 HB3 MET 9 HB3 MET 9 13.976 11.486 9.992
68 HG2 MET 9 HG2 MET 9 12.752 9.855 10.964
69 HG3 MET 9 HG3 MET 9 12.150 9.238 9.428
70 HE1 MET 9 HE1 MET 9 14.422 6.802 11.895
71 HE2 MET 9 HE2 MET 9 13.083 7.936 12.076
72 HE3 MET 9 HE3 MET 9 12.918 6.539 11.011
73 H GLN 10 H GLN 10 11.871 13.149 10.361
74 HA GLN 10 HA GLN 10 12.771 15.559 8.942
75 HB2 GLN 10 HB2 GLN 10 10.973 15.386 11.363
76 HB3 GLN 10 HB3 GLN 10 11.313 16.820 10.403
77 HG2 GLN 10 HG2 GLN 10 10.020 14.387 9.220
78 HG3 GLN 10 HG3 GLN 10 9.089 15.648 10.026
79 HE21 GLN 10 HE21 GLN 10 10.739 14.709 7.188
80 HE22 GLN 10 HE22 GLN 10 10.447 16.141 6.268
81 H GLY 11 H GLY 11 14.778 16.135 9.462
82 HA2 GLY 11 HA2 GLY 11 15.529 16.064 12.317
83 HA3 GLY 11 HA3 GLY 11 16.645 15.539 11.065
84 H GLU 12 H GLU 12 17.750 17.333 12.521
85 HA GLU 12 HA GLU 12 17.556 19.819 10.967
86 HB2 GLU 12 HB2 GLU 12 16.451 20.329 13.027
87 HB3 GLU 12 HB3 GLU 12 17.719 19.557 13.968
88 HG2 GLU 12 HG2 GLU 12 19.295 21.293 13.246
89 HG3 GLU 12 HG3 GLU 12 17.997 22.078 12.349
90 H VAL 13 H VAL 13 19.471 20.779 10.452
91 HA VAL 13 HA VAL 13 21.808 19.232 10.427
92 HB VAL 13 HB VAL 13 21.537 22.220 10.072
93 HG11 VAL 13 HG11 VAL 13 23.814 21.860 10.434
94 HG12 VAL 13 HG12 VAL 13 23.801 20.316 9.579
95 HG13 VAL 13 HG13 VAL 13 23.656 21.826 8.678
96 HG21 VAL 13 HG21 VAL 13 21.506 21.720 7.680
97 HG22 VAL 13 HG22 VAL 13 21.570 19.994 8.034
98 HG23 VAL 13 HG23 VAL 13 20.159 20.939 8.510
99 H ILE 14 H ILE 14 23.470 19.013 11.800
100 HA ILE 14 HA ILE 14 23.502 20.733 14.194
101 HB ILE 14 HB ILE 14 22.915 18.353 14.642
102 HG12 ILE 14 HG12 ILE 14 24.702 18.033 16.423
103 HG13 ILE 14 HG13 ILE 14 25.485 19.467 15.770
104 HG21 ILE 14 HG21 ILE 14 25.736 17.815 13.721
105 HG22 ILE 14 HG22 ILE 14 24.642 16.642 14.453
106 HG23 ILE 14 HG23 ILE 14 24.265 17.335 12.875
107 HD11 ILE 14 HD11 ILE 14 22.662 19.866 16.346
108 HD12 ILE 14 HD12 ILE 14 23.617 19.429 17.763
109 HD13 ILE 14 HD13 ILE 14 24.065 20.835 16.797
110 H GLU 15 H GLU 15 25.368 19.250 11.645
111 HA GLU 15 HA GLU 15 27.534 21.105 12.133
112 HB2 GLU 15 HB2 GLU 15 27.805 18.764 13.416
113 HB3 GLU 15 HB3 GLU 15 28.449 18.295 11.849
114 HG2 GLU 15 HG2 GLU 15 30.269 18.977 13.210
115 HG3 GLU 15 HG3 GLU 15 30.015 20.223 11.989
116 H ASN 16 H ASN 16 29.085 21.162 10.374
117 HA ASN 16 HA ASN 16 28.030 19.991 7.884
118 HB2 ASN 16 HB2 ASN 16 27.636 22.459 8.084
119 HB3 ASN 16 HB3 ASN 16 29.382 22.684 8.138
120 HD21 ASN 16 HD21 ASN 16 27.566 23.742 6.207
121 HD22 ASN 16 HD22 ASN 16 28.023 23.101 4.670
122 H LEU 17 H LEU 17 29.397 18.575 7.043
123 HA LEU 17 HA LEU 17 32.276 18.911 7.554
124 HB2 LEU 17 HB2 LEU 17 30.532 16.520 7.160
125 HB3 LEU 17 HB3 LEU 17 32.242 16.423 6.746
126 HG LEU 17 HG LEU 17 31.174 17.148 9.473
127 HD11 LEU 17 HD11 LEU 17 31.845 14.918 10.149
128 HD12 LEU 17 HD12 LEU 17 32.341 14.544 8.499
129 HD13 LEU 17 HD13 LEU 17 30.640 14.832 8.864
130 HD21 LEU 17 HD21 LEU 17 33.958 16.510 8.502
131 HD22 LEU 17 HD22 LEU 17 33.493 16.775 10.182
132 HD23 LEU 17 HD23 LEU 17 33.367 18.091 9.014
133 HA PRO 18 HA PRO 18 33.170 19.493 3.298
134 HB2 PRO 18 HB2 PRO 18 35.476 18.091 2.997
135 HB3 PRO 18 HB3 PRO 18 35.388 19.619 3.882
136 HG2 PRO 18 HG2 PRO 18 35.405 16.817 4.936
137 HG3 PRO 18 HG3 PRO 18 36.273 18.242 5.535
138 HD2 PRO 18 HD2 PRO 18 33.995 17.336 6.684
139 HD3 PRO 18 HD3 PRO 18 34.426 19.058 6.645
140 H ASN 19 H ASN 19 34.257 17.982 1.391
141 HA ASN 19 HA ASN 19 33.874 16.328 -0.123
142 HB2 ASN 19 HB2 ASN 19 32.703 14.611 2.049
143 HB3 ASN 19 HB3 ASN 19 33.627 14.121 0.633
144 HD21 ASN 19 HD21 ASN 19 33.811 14.126 3.792
145 HD22 ASN 19 HD22 ASN 19 35.497 14.416 4.040
146 H ALA 20 H ALA 20 31.781 18.285 0.706
147 HA ALA 20 HA ALA 20 29.604 18.780 0.253
148 HB1 ALA 20 HB1 ALA 20 30.509 17.923 -1.993
149 HB2 ALA 20 HB2 ALA 20 29.566 16.470 -1.658
150 HB3 ALA 20 HB3 ALA 20 28.761 18.034 -1.788
151 H THR 21 H THR 21 29.545 17.648 2.545
152 HA THR 21 HA THR 21 27.193 15.942 2.488
153 HB THR 21 HB THR 21 28.570 14.630 4.436
154 HG1 THR 21 HG1 THR 21 30.578 15.430 4.012
155 HG21 THR 21 HG21 THR 21 28.115 12.839 3.155
156 HG22 THR 21 HG22 THR 21 29.018 13.476 1.780
157 HG23 THR 21 HG23 THR 21 27.358 14.000 2.065
158 H PHE 22 H PHE 22 25.878 16.218 4.235
159 HA PHE 22 HA PHE 22 26.879 17.945 6.401
160 HB2 PHE 22 HB2 PHE 22 24.089 18.022 5.236
161 HB3 PHE 22 HB3 PHE 22 24.744 19.086 6.476
162 HD1 PHE 22 HD2 PHE 22 27.378 19.746 5.359
163 HD2 PHE 22 HD1 PHE 22 23.583 19.418 3.460
164 HE1 PHE 22 HE2 PHE 22 28.117 21.319 3.618
165 HE2 PHE 22 HE1 PHE 22 24.317 20.991 1.716
166 HZ PHE 22 HZ PHE 22 26.586 21.945 1.794
167 H ARG 23 H ARG 23 25.838 17.686 8.458
168 HA ARG 23 HA ARG 23 24.625 15.021 8.793
169 HB2 ARG 23 HB2 ARG 23 26.495 16.569 10.580
170 HB3 ARG 23 HB3 ARG 23 25.557 15.200 11.161
171 HG2 ARG 23 HG2 ARG 23 26.621 13.830 9.346
172 HG3 ARG 23 HG3 ARG 23 27.691 15.201 9.046
173 HD2 ARG 23 HD2 ARG 23 28.829 14.918 11.004
174 HD3 ARG 23 HD3 ARG 23 27.436 14.231 11.839
175 HE ARG 23 HE ARG 23 28.292 12.450 9.839
176 HH11 ARG 23 HH11 ARG 23 29.292 13.718 12.923
177 HH12 ARG 23 HH12 ARG 23 30.197 12.306 13.357
178 HH21 ARG 23 HH21 ARG 23 29.479 10.585 10.399
179 HH22 ARG 23 HH22 ARG 23 30.303 10.525 11.921
180 H VAL 24 H VAL 24 22.716 14.864 9.823
181 HA VAL 24 HA VAL 24 21.698 17.205 11.276
182 HB VAL 24 HB VAL 24 19.522 17.032 10.240
183 HG11 VAL 24 HG11 VAL 24 20.896 17.067 7.716
184 HG12 VAL 24 HG12 VAL 24 20.194 18.405 8.627
185 HG13 VAL 24 HG13 VAL 24 21.852 17.894 8.945
186 HG21 VAL 24 HG21 VAL 24 19.491 14.627 9.840
187 HG22 VAL 24 HG22 VAL 24 19.099 15.512 8.366
188 HG23 VAL 24 HG23 VAL 24 20.704 14.811 8.572
189 H LYS 25 H LYS 25 20.475 16.752 13.049
190 HA LYS 25 HA LYS 25 20.380 13.952 13.869
191 HB2 LYS 25 HB2 LYS 25 19.904 14.825 16.104
192 HB3 LYS 25 HB3 LYS 25 21.344 15.575 15.430
193 HG2 LYS 25 HG2 LYS 25 19.562 17.387 14.654
194 HG3 LYS 25 HG3 LYS 25 18.704 16.754 16.061
195 HD2 LYS 25 HD2 LYS 25 21.588 17.585 16.206
196 HD3 LYS 25 HD3 LYS 25 20.274 18.745 16.421
197 HE2 LYS 25 HE2 LYS 25 19.534 17.733 18.376
198 HE3 LYS 25 HE3 LYS 25 20.325 16.202 17.999
199 HZ1 LYS 25 HZ1 LYS 25 21.529 17.288 19.733
200 HZ2 LYS 25 HZ2 LYS 25 21.643 18.723 18.845
201 HZ3 LYS 25 HZ3 LYS 25 22.476 17.344 18.332
202 H LEU 26 H LEU 26 18.577 12.786 13.821
203 HA LEU 26 HA LEU 26 16.101 13.990 12.972
204 HB2 LEU 26 HB2 LEU 26 16.440 11.145 13.858
205 HB3 LEU 26 HB3 LEU 26 15.286 11.807 12.703
206 HG LEU 26 HG LEU 26 18.228 11.314 12.296
207 HD11 LEU 26 HD11 LEU 26 16.069 10.364 10.489
208 HD12 LEU 26 HD12 LEU 26 16.290 9.545 12.035
209 HD13 LEU 26 HD13 LEU 26 17.623 9.629 10.884
210 HD21 LEU 26 HD21 LEU 26 17.889 12.242 10.032
211 HD22 LEU 26 HD22 LEU 26 17.721 13.454 11.302
212 HD23 LEU 26 HD23 LEU 26 16.285 12.789 10.523
213 H GLU 27 H GLU 27 14.479 11.991 14.451
214 HA GLU 27 HA GLU 27 13.974 13.621 16.780
215 HB2 GLU 27 HB2 GLU 27 12.591 11.066 15.954
216 HB3 GLU 27 HB3 GLU 27 11.994 12.278 17.078
217 HG2 GLU 27 HG2 GLU 27 10.819 12.910 15.261
218 HG3 GLU 27 HG3 GLU 27 12.287 13.833 14.943
219 H ASN 28 H ASN 28 15.154 10.373 16.084
220 HA ASN 28 HA ASN 28 15.182 9.401 18.722
221 HB2 ASN 28 HB2 ASN 28 16.526 8.652 16.169
222 HB3 ASN 28 HB3 ASN 28 17.171 7.979 17.663
223 HD21 ASN 28 HD21 ASN 28 16.318 6.146 18.314
224 HD22 ASN 28 HD22 ASN 28 14.765 5.532 17.873
225 H GLY 29 H GLY 29 17.101 11.759 17.190
226 HA2 GLY 29 HA2 GLY 29 18.523 13.180 18.485
227 HA3 GLY 29 HA3 GLY 29 18.873 11.815 19.535
228 H HIS 30 H HIS 30 19.200 10.112 17.046
229 HA HIS 30 HA HIS 30 22.021 10.405 16.832
230 HB2 HIS 30 HB2 HIS 30 21.919 8.544 15.282
231 HB3 HIS 30 HB3 HIS 30 20.844 8.227 16.641
232 HD1 HIS 30 HD1 HIS 30 20.650 7.038 13.657
233 HD2 HIS 30 HD2 HIS 30 18.301 10.033 15.324
234 HE1 HIS 30 HE1 HIS 30 18.516 7.038 12.327
235 H VAL 31 H VAL 31 23.276 11.035 15.068
236 HA VAL 31 HA VAL 31 21.929 12.899 13.247
237 HB VAL 31 HB VAL 31 24.121 13.871 12.837
238 HG11 VAL 31 HG11 VAL 31 23.252 13.517 15.681
239 HG12 VAL 31 HG12 VAL 31 24.662 14.501 15.283
240 HG13 VAL 31 HG13 VAL 31 23.078 14.921 14.629
241 HG21 VAL 31 HG21 VAL 31 25.532 11.941 12.951
242 HG22 VAL 31 HG22 VAL 31 26.076 13.085 14.178
243 HG23 VAL 31 HG23 VAL 31 25.122 11.678 14.646
244 H VAL 32 H VAL 32 21.895 12.615 11.090
245 HA VAL 32 HA VAL 32 23.220 10.208 10.030
246 HB VAL 32 HB VAL 32 21.534 10.124 8.307
247 HG11 VAL 32 HG11 VAL 32 21.107 9.507 10.896
248 HG12 VAL 32 HG12 VAL 32 19.762 10.612 10.611
249 HG13 VAL 32 HG13 VAL 32 19.952 9.175 9.606
250 HG21 VAL 32 HG21 VAL 32 20.659 12.057 7.620
251 HG22 VAL 32 HG22 VAL 32 19.572 11.946 9.004
252 HG23 VAL 32 HG23 VAL 32 21.069 12.869 9.131
253 H LEU 33 H LEU 33 24.492 10.327 8.233
254 HA LEU 33 HA LEU 33 25.170 13.034 7.315
255 HB2 LEU 33 HB2 LEU 33 27.002 11.754 8.283
256 HB3 LEU 33 HB3 LEU 33 26.720 10.454 7.126
257 HG LEU 33 HG LEU 33 27.173 12.465 5.414
258 HD11 LEU 33 HD11 LEU 33 27.559 14.181 7.013
259 HD12 LEU 33 HD12 LEU 33 29.122 13.753 6.318
260 HD13 LEU 33 HD13 LEU 33 28.681 13.168 7.922
261 HD21 LEU 33 HD21 LEU 33 28.907 10.455 6.730
262 HD22 LEU 33 HD22 LEU 33 29.699 11.690 5.751
263 HD23 LEU 33 HD23 LEU 33 28.474 10.644 5.031
264 H GLY 34 H GLY 34 24.944 13.630 5.228
265 HA2 GLY 34 HA2 GLY 34 24.664 11.691 3.113
266 HA3 GLY 34 HA3 GLY 34 23.161 12.511 3.512
267 H HIS 35 H HIS 35 23.547 13.062 1.132
268 HA HIS 35 HA HIS 35 25.029 15.605 1.010
269 HB2 HIS 35 HB2 HIS 35 25.574 15.141 -1.326
270 HB3 HIS 35 HB3 HIS 35 26.193 13.862 -0.285
271 HD1 HIS 35 HD1 HIS 35 24.101 14.441 -3.215
272 HD2 HIS 35 HD2 HIS 35 24.576 11.438 -0.384
273 HE1 HIS 35 HE1 HIS 35 23.008 12.404 -4.205
274 H ILE 36 H ILE 36 24.091 17.281 -0.162
275 HA ILE 36 HA ILE 36 21.209 17.105 -0.407
276 HB ILE 36 HB ILE 36 22.053 19.091 0.635
277 HG12 ILE 36 HG12 ILE 36 21.017 20.812 -0.737
278 HG13 ILE 36 HG13 ILE 36 21.171 19.803 -2.171
279 HG21 ILE 36 HG21 ILE 36 24.076 19.822 0.075
280 HG22 ILE 36 HG22 ILE 36 24.042 18.929 -1.444
281 HG23 ILE 36 HG23 ILE 36 23.347 20.547 -1.357
282 HD11 ILE 36 HD11 ILE 36 18.997 19.974 -0.440
283 HD12 ILE 36 HD12 ILE 36 19.238 18.815 -1.749
284 HD13 ILE 36 HD13 ILE 36 19.740 18.409 -0.108
285 H SER 37 H SER 37 20.046 17.135 -2.257
286 HA SER 37 HA SER 37 21.438 17.554 -4.801
287 HB2 SER 37 HB2 SER 37 19.996 15.532 -5.641
288 HB3 SER 37 HB3 SER 37 21.525 15.230 -4.815
289 HG SER 37 HG SER 37 18.941 14.697 -4.010
290 H GLY 38 H GLY 38 20.050 18.091 -6.567
291 HA2 GLY 38 HA2 GLY 38 17.531 18.260 -7.087
292 HA3 GLY 38 HA3 GLY 38 17.514 19.274 -5.652
293 H LYS 39 H LYS 39 16.548 20.548 -7.662
294 HA LYS 39 HA LYS 39 18.646 21.907 -9.160
295 HB2 LYS 39 HB2 LYS 39 16.884 22.879 -10.462
296 HB3 LYS 39 HB3 LYS 39 16.521 21.170 -10.260
297 HG2 LYS 39 HG2 LYS 39 14.924 21.709 -8.497
298 HG3 LYS 39 HG3 LYS 39 15.295 23.425 -8.682
299 HD2 LYS 39 HD2 LYS 39 13.454 23.317 -10.018
300 HD3 LYS 39 HD3 LYS 39 14.679 22.884 -11.212
301 HE2 LYS 39 HE2 LYS 39 12.802 21.360 -11.355
302 HE3 LYS 39 HE3 LYS 39 14.233 20.505 -10.779
303 HZ1 LYS 39 HZ1 LYS 39 11.715 20.821 -9.517
304 HZ2 LYS 39 HZ2 LYS 39 12.942 21.428 -8.523
305 HZ3 LYS 39 HZ3 LYS 39 13.013 19.830 -9.075
306 H MET 40 H MET 40 16.720 22.351 -6.359
307 HA MET 40 HA MET 40 16.965 25.234 -6.327
308 HB2 MET 40 HB2 MET 40 15.021 23.879 -5.356
309 HB3 MET 40 HB3 MET 40 16.103 23.494 -4.024
310 HG2 MET 40 HG2 MET 40 15.137 25.311 -3.116
311 HG3 MET 40 HG3 MET 40 16.385 26.145 -4.038
312 HE1 MET 40 HE1 MET 40 13.085 27.337 -3.120
313 HE2 MET 40 HE2 MET 40 11.971 26.598 -4.271
314 HE3 MET 40 HE3 MET 40 12.936 25.581 -3.200
315 H ARG 41 H ARG 41 18.800 22.534 -5.306
316 HA ARG 41 HA ARG 41 20.217 23.886 -3.196
317 HB2 ARG 41 HB2 ARG 41 21.600 21.888 -3.108
318 HB3 ARG 41 HB3 ARG 41 19.900 21.442 -3.177
319 HG2 ARG 41 HG2 ARG 41 20.135 20.373 -5.126
320 HG3 ARG 41 HG3 ARG 41 21.195 21.616 -5.793
321 HD2 ARG 41 HD2 ARG 41 23.016 20.692 -4.317
322 HD3 ARG 41 HD3 ARG 41 21.936 19.344 -3.962
323 HE ARG 41 HE ARG 41 22.018 19.416 -6.678
324 HH11 ARG 41 HH11 ARG 41 24.432 19.254 -4.174
325 HH12 ARG 41 HH12 ARG 41 25.560 18.360 -5.139
326 HH21 ARG 41 HH21 ARG 41 23.495 18.240 -7.958
327 HH22 ARG 41 HH22 ARG 41 25.026 17.785 -7.292
328 H MET 42 H MET 42 20.413 23.783 -6.592
329 HA MET 42 HA MET 42 23.237 24.317 -6.782
330 HB2 MET 42 HB2 MET 42 21.417 23.332 -8.537
331 HB3 MET 42 HB3 MET 42 21.494 25.008 -9.065
332 HG2 MET 42 HG2 MET 42 23.109 24.037 -10.366
333 HG3 MET 42 HG3 MET 42 24.061 24.632 -9.008
334 HE1 MET 42 HE1 MET 42 22.094 20.772 -9.388
335 HE2 MET 42 HE2 MET 42 22.255 21.955 -10.686
336 HE3 MET 42 HE3 MET 42 23.357 20.580 -10.604
337 H HIS 43 H HIS 43 20.724 26.125 -5.714
338 HA HIS 43 HA HIS 43 21.439 28.631 -6.977
339 HB2 HIS 43 HB2 HIS 43 19.395 27.795 -4.945
340 HB3 HIS 43 HB3 HIS 43 19.765 29.501 -5.178
341 HD1 HIS 43 HD1 HIS 43 19.810 29.943 -8.069
342 HD2 HIS 43 HD2 HIS 43 17.177 27.223 -6.357
343 HE1 HIS 43 HE1 HIS 43 17.948 29.669 -9.737
344 H TYR 44 H TYR 44 22.946 26.840 -4.761
345 HA TYR 44 HA TYR 44 24.404 27.210 -3.049
346 HB2 TYR 44 HB2 TYR 44 24.695 29.979 -4.214
347 HB3 TYR 44 HB3 TYR 44 25.898 29.051 -3.325
348 HD1 TYR 44 HD2 TYR 44 26.427 26.673 -4.465
349 HD2 TYR 44 HD1 TYR 44 24.951 30.106 -6.498
350 HE1 TYR 44 HE2 TYR 44 27.319 25.795 -6.582
351 HE2 TYR 44 HE1 TYR 44 25.838 29.238 -8.621
352 HH TYR 44 HH TYR 44 27.786 27.583 -9.263
353 H ILE 45 H ILE 45 22.029 27.349 -2.000
354 HA ILE 45 HA ILE 45 21.298 29.843 -0.846
355 HB ILE 45 HB ILE 45 19.614 28.712 0.292
356 HG12 ILE 45 HG12 ILE 45 20.941 27.174 1.590
357 HG13 ILE 45 HG13 ILE 45 19.696 26.254 0.752
358 HG21 ILE 45 HG21 ILE 45 19.949 28.232 -2.353
359 HG22 ILE 45 HG22 ILE 45 19.806 26.590 -1.729
360 HG23 ILE 45 HG23 ILE 45 18.522 27.762 -1.429
361 HD11 ILE 45 HD11 ILE 45 22.627 26.402 0.148
362 HD12 ILE 45 HD12 ILE 45 21.654 24.990 0.559
363 HD13 ILE 45 HD13 ILE 45 21.455 25.772 -1.009
364 H ARG 46 H ARG 46 20.981 29.815 1.695
365 HA ARG 46 HA ARG 46 23.675 29.576 2.791
366 HB2 ARG 46 HB2 ARG 46 22.845 30.971 4.621
367 HB3 ARG 46 HB3 ARG 46 22.504 31.711 3.062
368 HG2 ARG 46 HG2 ARG 46 20.203 30.455 3.363
369 HG3 ARG 46 HG3 ARG 46 20.645 30.564 5.069
370 HD2 ARG 46 HD2 ARG 46 21.171 33.074 4.353
371 HD3 ARG 46 HD3 ARG 46 19.950 32.704 3.137
372 HE ARG 46 HE ARG 46 18.806 31.880 5.451
373 HH11 ARG 46 HH11 ARG 46 20.276 34.863 4.421
374 HH12 ARG 46 HH12 ARG 46 19.285 35.854 5.439
375 HH21 ARG 46 HH21 ARG 46 17.495 33.174 6.795
376 HH22 ARG 46 HH22 ARG 46 17.703 34.893 6.789
377 H ILE 47 H ILE 47 24.255 27.963 4.079
378 HA ILE 47 HA ILE 47 22.139 26.420 5.434
379 HB ILE 47 HB ILE 47 24.794 25.350 4.475
380 HG12 ILE 47 HG12 ILE 47 22.025 24.993 3.308
381 HG13 ILE 47 HG13 ILE 47 23.333 25.922 2.586
382 HG21 ILE 47 HG21 ILE 47 23.820 23.162 5.000
383 HG22 ILE 47 HG22 ILE 47 23.925 24.192 6.427
384 HG23 ILE 47 HG23 ILE 47 22.375 23.960 5.619
385 HD11 ILE 47 HD11 ILE 47 23.183 23.815 1.480
386 HD12 ILE 47 HD12 ILE 47 24.657 23.828 2.448
387 HD13 ILE 47 HD13 ILE 47 23.237 22.948 3.015
388 H LEU 48 H LEU 48 22.244 26.351 7.579
389 HA LEU 48 HA LEU 48 24.832 26.668 8.911
390 HB2 LEU 48 HB2 LEU 48 23.457 28.120 10.609
391 HB3 LEU 48 HB3 LEU 48 24.206 28.841 9.186
392 HG LEU 48 HG LEU 48 22.001 28.717 8.038
393 HD11 LEU 48 HD11 LEU 48 20.045 28.516 9.722
394 HD12 LEU 48 HD12 LEU 48 21.202 27.611 10.698
395 HD13 LEU 48 HD13 LEU 48 20.784 27.049 9.079
396 HD21 LEU 48 HD21 LEU 48 20.943 30.526 9.456
397 HD22 LEU 48 HD22 LEU 48 22.604 30.816 8.936
398 HD23 LEU 48 HD23 LEU 48 22.275 30.289 10.587
399 HA PRO 49 HA PRO 49 23.433 23.532 11.642
400 HB2 PRO 49 HB2 PRO 49 24.517 24.301 14.009
401 HB3 PRO 49 HB3 PRO 49 25.481 23.655 12.676
402 HG2 PRO 49 HG2 PRO 49 25.045 26.502 13.492
403 HG3 PRO 49 HG3 PRO 49 26.545 25.699 12.992
404 HD2 PRO 49 HD2 PRO 49 25.101 27.261 11.317
405 HD3 PRO 49 HD3 PRO 49 26.032 25.860 10.750
406 H GLY 50 H GLY 50 21.343 23.356 12.173
407 HA2 GLY 50 HA2 GLY 50 19.863 23.664 14.159
408 HA3 GLY 50 HA3 GLY 50 20.208 25.380 14.004
409 H ASP 51 H ASP 51 19.952 23.901 10.993
410 HA ASP 51 HA ASP 51 17.313 25.098 10.608
411 HB2 ASP 51 HB2 ASP 51 19.354 25.527 9.083
412 HB3 ASP 51 HB3 ASP 51 19.025 23.924 8.430
413 H LYS 52 H LYS 52 15.515 23.961 10.137
414 HA LYS 52 HA LYS 52 15.562 21.118 10.557
415 HB2 LYS 52 HB2 LYS 52 13.408 23.149 10.064
416 HB3 LYS 52 HB3 LYS 52 13.043 21.431 9.972
417 HG2 LYS 52 HG2 LYS 52 12.518 21.859 12.152
418 HG3 LYS 52 HG3 LYS 52 14.207 21.373 12.319
419 HD2 LYS 52 HD2 LYS 52 14.221 23.297 13.559
420 HD3 LYS 52 HD3 LYS 52 14.628 23.954 11.971
421 HE2 LYS 52 HE2 LYS 52 11.756 23.741 12.713
422 HE3 LYS 52 HE3 LYS 52 12.719 25.006 13.475
423 HZ1 LYS 52 HZ1 LYS 52 13.281 24.998 10.733
424 HZ2 LYS 52 HZ2 LYS 52 12.527 26.207 11.644
425 HZ3 LYS 52 HZ3 LYS 52 11.599 24.995 10.914
426 H VAL 53 H VAL 53 15.885 19.643 9.039
427 HA VAL 53 HA VAL 53 14.916 20.144 6.318
428 HB VAL 53 HB VAL 53 16.955 19.364 5.295
429 HG11 VAL 53 HG11 VAL 53 18.035 21.343 5.417
430 HG12 VAL 53 HG12 VAL 53 16.639 21.803 6.392
431 HG13 VAL 53 HG13 VAL 53 18.137 21.301 7.176
432 HG21 VAL 53 HG21 VAL 53 17.724 17.766 6.897
433 HG22 VAL 53 HG22 VAL 53 18.990 18.977 6.697
434 HG23 VAL 53 HG23 VAL 53 17.948 19.017 8.119
435 H THR 54 H THR 54 14.542 18.248 5.078
436 HA THR 54 HA THR 54 13.922 15.931 6.733
437 HB THR 54 HB THR 54 13.247 16.415 3.825
438 HG1 THR 54 HG1 THR 54 11.367 17.270 4.537
439 HG21 THR 54 HG21 THR 54 13.210 14.052 4.474
440 HG22 THR 54 HG22 THR 54 11.581 14.653 4.164
441 HG23 THR 54 HG23 THR 54 12.141 14.437 5.822
442 H VAL 55 H VAL 55 14.670 13.853 6.337
443 HA VAL 55 HA VAL 55 16.751 13.520 4.299
444 HB VAL 55 HB VAL 55 18.103 12.213 6.002
445 HG11 VAL 55 HG11 VAL 55 19.357 14.085 6.601
446 HG12 VAL 55 HG12 VAL 55 18.510 14.602 5.142
447 HG13 VAL 55 HG13 VAL 55 17.933 15.117 6.727
448 HG21 VAL 55 HG21 VAL 55 17.416 12.014 8.108
449 HG22 VAL 55 HG22 VAL 55 17.197 13.758 8.258
450 HG23 VAL 55 HG23 VAL 55 15.892 12.756 7.623
451 H GLU 56 H GLU 56 16.757 11.560 3.333
452 HA GLU 56 HA GLU 56 14.715 9.651 4.216
453 HB2 GLU 56 HB2 GLU 56 15.338 10.675 1.707
454 HB3 GLU 56 HB3 GLU 56 16.003 9.048 1.678
455 HG2 GLU 56 HG2 GLU 56 13.282 9.275 2.761
456 HG3 GLU 56 HG3 GLU 56 13.456 9.666 1.051
457 H LEU 57 H LEU 57 15.310 7.875 5.253
458 HA LEU 57 HA LEU 57 18.008 6.796 4.774
459 HB2 LEU 57 HB2 LEU 57 17.815 7.922 6.968
460 HB3 LEU 57 HB3 LEU 57 16.518 6.808 7.395
461 HG LEU 57 HG LEU 57 18.106 4.936 7.271
462 HD11 LEU 57 HD11 LEU 57 20.514 5.415 7.122
463 HD12 LEU 57 HD12 LEU 57 20.141 7.097 6.748
464 HD13 LEU 57 HD13 LEU 57 19.654 5.818 5.636
465 HD21 LEU 57 HD21 LEU 57 17.997 6.986 9.218
466 HD22 LEU 57 HD22 LEU 57 19.675 6.457 9.094
467 HD23 LEU 57 HD23 LEU 57 18.403 5.284 9.440
468 H THR 58 H THR 58 18.237 4.496 5.123
469 HA THR 58 HA THR 58 15.704 3.043 4.717
470 HB THR 58 HB THR 58 17.443 1.307 3.677
471 HG1 THR 58 HG1 THR 58 19.280 2.194 3.109
472 HG21 THR 58 HG21 THR 58 17.070 2.878 1.483
473 HG22 THR 58 HG22 THR 58 15.821 3.491 2.568
474 HG23 THR 58 HG23 THR 58 15.860 1.779 2.144
475 HA PRO 59 HA PRO 59 16.547 0.491 8.187
476 HB2 PRO 59 HB2 PRO 59 15.679 -1.937 7.338
477 HB3 PRO 59 HB3 PRO 59 14.582 -0.608 7.731
478 HG2 PRO 59 HG2 PRO 59 15.564 -1.527 5.056
479 HG3 PRO 59 HG3 PRO 59 13.929 -1.040 5.541
480 HD2 PRO 59 HD2 PRO 59 15.604 0.612 4.200
481 HD3 PRO 59 HD3 PRO 59 14.414 1.207 5.375
482 H TYR 60 H TYR 60 17.734 -0.691 5.079
483 HA TYR 60 HA TYR 60 19.410 -2.728 5.964
484 HB2 TYR 60 HB2 TYR 60 19.614 -0.868 3.597
485 HB3 TYR 60 HB3 TYR 60 20.746 -2.189 3.862
486 HD1 TYR 60 HD2 TYR 60 19.919 -4.542 3.827
487 HD2 TYR 60 HD1 TYR 60 17.437 -1.266 2.728
488 HE1 TYR 60 HE2 TYR 60 18.375 -6.095 2.709
489 HE2 TYR 60 HE1 TYR 60 15.885 -2.811 1.607
490 HH TYR 60 HH TYR 60 16.191 -6.264 1.910
491 H ASP 61 H ASP 61 20.037 0.741 5.635
492 HA ASP 61 HA ASP 61 22.306 0.441 7.462
493 HB2 ASP 61 HB2 ASP 61 22.574 2.273 5.101
494 HB3 ASP 61 HB3 ASP 61 23.835 1.574 6.114
495 H LEU 62 H LEU 62 22.071 1.789 9.109
496 HA LEU 62 HA LEU 62 20.391 4.173 8.752
497 HB2 LEU 62 HB2 LEU 62 20.167 4.151 11.198
498 HB3 LEU 62 HB3 LEU 62 19.588 2.666 10.446
499 HG LEU 62 HG LEU 62 22.005 1.810 11.058
500 HD11 LEU 62 HD11 LEU 62 22.531 2.796 13.370
501 HD12 LEU 62 HD12 LEU 62 21.580 4.182 12.837
502 HD13 LEU 62 HD13 LEU 62 23.023 3.707 11.941
503 HD21 LEU 62 HD21 LEU 62 20.126 2.062 13.362
504 HD22 LEU 62 HD22 LEU 62 21.051 0.665 12.811
505 HD23 LEU 62 HD23 LEU 62 19.619 1.183 11.920
506 H SER 63 H SER 63 23.364 3.745 8.192
507 HA SER 63 HA SER 63 24.343 5.996 9.826
508 HB2 SER 63 HB2 SER 63 25.674 3.469 8.951
509 HB3 SER 63 HB3 SER 63 26.657 4.927 9.086
510 HG SER 63 HG SER 63 26.512 3.623 11.033
511 H ARG 64 H ARG 64 22.921 5.931 7.198
512 HA ARG 64 HA ARG 64 24.408 7.947 5.901
513 HB2 ARG 64 HB2 ARG 64 24.921 6.750 3.793
514 HB3 ARG 64 HB3 ARG 64 25.846 6.148 5.162
515 HG2 ARG 64 HG2 ARG 64 23.763 4.466 5.265
516 HG3 ARG 64 HG3 ARG 64 23.779 4.818 3.535
517 HD2 ARG 64 HD2 ARG 64 26.329 4.126 4.925
518 HD3 ARG 64 HD3 ARG 64 25.195 2.843 4.502
519 HE ARG 64 HE ARG 64 25.604 4.445 2.244
520 HH11 ARG 64 HH11 ARG 64 27.346 2.211 4.268
521 HH12 ARG 64 HH12 ARG 64 28.405 1.686 3.001
522 HH21 ARG 64 HH21 ARG 64 26.993 3.763 0.568
523 HH22 ARG 64 HH22 ARG 64 28.204 2.570 0.897
524 H ALA 65 H ALA 65 22.836 9.210 5.186
525 HA ALA 65 HA ALA 65 20.569 7.992 3.767
526 HB1 ALA 65 HB1 ALA 65 19.178 8.537 5.408
527 HB2 ALA 65 HB2 ALA 65 20.464 9.359 6.292
528 HB3 ALA 65 HB3 ALA 65 19.528 10.234 5.079
529 H ARG 66 H ARG 66 19.215 9.853 2.721
530 HA ARG 66 HA ARG 66 21.133 11.551 1.290
531 HB2 ARG 66 HB2 ARG 66 19.397 11.731 -0.442
532 HB3 ARG 66 HB3 ARG 66 19.814 10.055 -0.109
533 HG2 ARG 66 HG2 ARG 66 17.808 9.767 1.194
534 HG3 ARG 66 HG3 ARG 66 17.411 11.478 1.015
535 HD2 ARG 66 HD2 ARG 66 16.389 11.074 -0.914
536 HD3 ARG 66 HD3 ARG 66 17.853 10.338 -1.567
537 HE ARG 66 HE ARG 66 15.541 8.977 -0.519
538 HH11 ARG 66 HH11 ARG 66 18.935 8.742 -1.255
539 HH12 ARG 66 HH12 ARG 66 18.921 7.015 -1.387
540 HH21 ARG 66 HH21 ARG 66 15.509 6.703 -0.690
541 HH22 ARG 66 HH22 ARG 66 16.971 5.856 -1.066
542 H ILE 67 H ILE 67 21.051 13.718 1.385
543 HA ILE 67 HA ILE 67 19.371 14.959 3.347
544 HB ILE 67 HB ILE 67 21.269 16.212 1.359
545 HG12 ILE 67 HG12 ILE 67 21.646 15.566 4.291
546 HG13 ILE 67 HG13 ILE 67 22.337 14.648 2.957
547 HG21 ILE 67 HG21 ILE 67 19.596 17.799 2.141
548 HG22 ILE 67 HG22 ILE 67 19.966 17.381 3.813
549 HG23 ILE 67 HG23 ILE 67 21.182 18.178 2.815
550 HD11 ILE 67 HD11 ILE 67 23.951 16.170 3.987
551 HD12 ILE 67 HD12 ILE 67 23.657 16.562 2.292
552 HD13 ILE 67 HD13 ILE 67 22.920 17.536 3.564
553 H VAL 68 H VAL 68 17.602 16.219 3.074
554 HA VAL 68 HA VAL 68 16.672 16.675 0.314
555 HB VAL 68 HB VAL 68 14.762 16.211 2.585
556 HG11 VAL 68 HG11 VAL 68 13.359 15.425 0.604
557 HG12 VAL 68 HG12 VAL 68 13.696 17.154 0.718
558 HG13 VAL 68 HG13 VAL 68 14.604 16.150 -0.414
559 HG21 VAL 68 HG21 VAL 68 16.159 14.238 2.540
560 HG22 VAL 68 HG22 VAL 68 14.582 13.859 1.848
561 HG23 VAL 68 HG23 VAL 68 15.971 14.108 0.792
562 H PHE 69 H PHE 69 15.094 18.454 0.119
563 HA PHE 69 HA PHE 69 16.045 20.852 1.075
564 HB2 PHE 69 HB2 PHE 69 13.157 20.317 0.359
565 HB3 PHE 69 HB3 PHE 69 13.999 21.861 0.282
566 HD1 PHE 69 HD1 PHE 69 16.470 21.272 -1.055
567 HD2 PHE 69 HD2 PHE 69 12.583 19.696 -1.776
568 HE1 PHE 69 HE1 PHE 69 17.092 20.817 -3.392
569 HE2 PHE 69 HE2 PHE 69 13.199 19.237 -4.114
570 HZ PHE 69 HZ PHE 69 15.456 19.797 -4.924
571 H ARG 70 H ARG 70 14.843 22.452 2.460
572 HA ARG 70 HA ARG 70 14.800 21.703 5.093
573 HB2 ARG 70 HB2 ARG 70 14.833 24.003 4.727
574 HB3 ARG 70 HB3 ARG 70 13.471 23.945 3.616
575 HG2 ARG 70 HG2 ARG 70 11.914 23.892 5.308
576 HG3 ARG 70 HG3 ARG 70 13.057 23.232 6.480
577 HD2 ARG 70 HD2 ARG 70 12.642 25.504 7.075
578 HD3 ARG 70 HD3 ARG 70 14.270 25.416 6.404
579 HE ARG 70 HE ARG 70 12.253 26.102 4.473
580 HH11 ARG 70 HH11 ARG 70 14.439 27.322 6.892
581 HH12 ARG 70 HH12 ARG 70 14.510 28.914 6.212
582 HH21 ARG 70 HH21 ARG 70 12.338 28.194 3.568
583 HH22 ARG 70 HH22 ARG 70 13.314 29.409 4.322
584 H ALA 71 H ALA 71 13.244 21.097 6.588
585 HA ALA 71 HA ALA 71 11.441 19.182 6.041
586 HB1 ALA 71 HB1 ALA 71 11.786 21.079 8.226
587 HB2 ALA 71 HB2 ALA 71 10.129 20.497 8.062
588 HB3 ALA 71 HB3 ALA 71 11.450 19.348 8.268
589 H LYS 72 H LYS 72 9.395 18.964 5.289
590 HA LYS 72 HA LYS 72 8.278 21.157 3.806
591 HB2 LYS 72 HB2 LYS 72 8.264 18.571 3.299
592 HB3 LYS 72 HB3 LYS 72 6.795 18.601 4.267
593 HG2 LYS 72 HG2 LYS 72 7.019 20.614 2.112
594 HG3 LYS 72 HG3 LYS 72 6.798 18.932 1.626
595 HD2 LYS 72 HD2 LYS 72 4.715 18.784 2.603
596 HD3 LYS 72 HD3 LYS 72 5.050 20.075 3.759
597 HE2 LYS 72 HE2 LYS 72 5.147 21.583 1.646
598 HE3 LYS 72 HE3 LYS 72 4.266 20.264 0.876
599 HZ1 LYS 72 HZ1 LYS 72 3.384 22.146 2.916
600 HZ2 LYS 72 HZ2 LYS 72 2.821 20.558 3.067
601 HZ3 LYS 72 HZ3 LYS 72 2.515 21.432 1.652
Start of MODEL 10
1 H1 MET 1 H MET 1 10.846 0.460 -12.369
2 HA MET 1 HA MET 1 8.553 -1.379 -12.163
3 HB2 MET 1 HB2 MET 1 10.005 -1.239 -14.378
4 HB3 MET 1 HB3 MET 1 11.086 -2.276 -13.458
5 HG2 MET 1 HG2 MET 1 9.389 -3.938 -13.208
6 HG3 MET 1 HG3 MET 1 8.174 -2.871 -13.910
7 HE1 MET 1 HE1 MET 1 8.993 -2.739 -17.614
8 HE2 MET 1 HE2 MET 1 8.254 -1.950 -16.220
9 HE3 MET 1 HE3 MET 1 9.958 -1.680 -16.586
10 H ALA 2 H ALA 2 9.487 -0.578 -9.839
11 HA ALA 2 HA ALA 2 10.528 -2.951 -8.661
12 HB1 ALA 2 HB1 ALA 2 12.512 -1.416 -9.673
13 HB2 ALA 2 HB2 ALA 2 12.387 -0.760 -8.040
14 HB3 ALA 2 HB3 ALA 2 12.694 -2.481 -8.279
15 H LYS 3 H LYS 3 10.746 -2.751 -6.296
16 HA LYS 3 HA LYS 3 9.397 -0.411 -5.159
17 HB2 LYS 3 HB2 LYS 3 8.632 -3.220 -4.374
18 HB3 LYS 3 HB3 LYS 3 7.839 -1.718 -3.917
19 HG2 LYS 3 HG2 LYS 3 7.955 -2.797 -6.725
20 HG3 LYS 3 HG3 LYS 3 6.603 -3.025 -5.614
21 HD2 LYS 3 HD2 LYS 3 7.565 -0.253 -6.084
22 HD3 LYS 3 HD3 LYS 3 6.658 -1.042 -7.377
23 HE2 LYS 3 HE2 LYS 3 4.729 -1.160 -6.134
24 HE3 LYS 3 HE3 LYS 3 5.592 -1.154 -4.597
25 HZ1 LYS 3 HZ1 LYS 3 5.442 1.045 -4.472
26 HZ2 LYS 3 HZ2 LYS 3 4.345 0.980 -5.757
27 HZ3 LYS 3 HZ3 LYS 3 5.984 1.267 -6.058
28 H ASP 4 H ASP 4 9.641 -0.255 -2.809
29 HA ASP 4 HA ASP 4 11.657 -1.913 -1.558
30 HB2 ASP 4 HB2 ASP 4 12.151 1.056 -1.856
31 HB3 ASP 4 HB3 ASP 4 13.198 -0.115 -1.057
32 H ASP 5 H ASP 5 12.227 -0.655 0.682
33 HA ASP 5 HA ASP 5 9.667 0.257 1.813
34 HB2 ASP 5 HB2 ASP 5 10.328 -1.002 3.913
35 HB3 ASP 5 HB3 ASP 5 9.846 -1.998 2.543
36 H VAL 6 H VAL 6 11.066 2.262 1.168
37 HA VAL 6 HA VAL 6 13.062 2.942 3.174
38 HB VAL 6 HB VAL 6 13.389 5.001 1.901
39 HG11 VAL 6 HG11 VAL 6 14.559 4.033 0.187
40 HG12 VAL 6 HG12 VAL 6 14.270 2.619 1.202
41 HG13 VAL 6 HG13 VAL 6 13.260 2.911 -0.214
42 HG21 VAL 6 HG21 VAL 6 11.954 4.628 -0.449
43 HG22 VAL 6 HG22 VAL 6 10.791 4.302 0.836
44 HG23 VAL 6 HG23 VAL 6 11.649 5.843 0.793
45 H ILE 7 H ILE 7 12.903 4.727 4.571
46 HA ILE 7 HA ILE 7 10.207 5.850 4.919
47 HB ILE 7 HB ILE 7 10.428 5.694 7.351
48 HG12 ILE 7 HG12 ILE 7 12.391 3.764 7.763
49 HG13 ILE 7 HG13 ILE 7 13.137 4.897 6.642
50 HG21 ILE 7 HG21 ILE 7 9.565 3.785 5.740
51 HG22 ILE 7 HG22 ILE 7 10.916 2.905 6.453
52 HG23 ILE 7 HG23 ILE 7 9.643 3.555 7.487
53 HD11 ILE 7 HD11 ILE 7 11.863 6.432 8.626
54 HD12 ILE 7 HD12 ILE 7 12.746 5.144 9.447
55 HD13 ILE 7 HD13 ILE 7 13.591 6.227 8.341
56 H GLN 8 H GLN 8 10.136 7.990 5.310
57 HA GLN 8 HA GLN 8 12.681 9.423 5.369
58 HB2 GLN 8 HB2 GLN 8 11.463 11.356 4.671
59 HB3 GLN 8 HB3 GLN 8 10.898 10.004 3.698
60 HG2 GLN 8 HG2 GLN 8 8.945 9.791 5.193
61 HG3 GLN 8 HG3 GLN 8 9.496 11.220 6.066
62 HE21 GLN 8 HE21 GLN 8 8.160 10.012 3.090
63 HE22 GLN 8 HE22 GLN 8 7.650 11.540 2.464
64 H MET 9 H MET 9 13.404 10.534 7.083
65 HA MET 9 HA MET 9 11.660 10.650 9.452
66 HB2 MET 9 HB2 MET 9 14.664 10.494 9.208
67 HB3 MET 9 HB3 MET 9 13.841 10.852 10.720
68 HG2 MET 9 HG2 MET 9 13.413 8.354 9.099
69 HG3 MET 9 HG3 MET 9 14.514 8.485 10.469
70 HE1 MET 9 HE1 MET 9 12.506 7.525 13.319
71 HE2 MET 9 HE2 MET 9 14.024 7.557 12.422
72 HE3 MET 9 HE3 MET 9 13.406 9.034 13.163
73 H GLN 10 H GLN 10 11.749 12.525 10.793
74 HA GLN 10 HA GLN 10 12.493 14.949 9.301
75 HB2 GLN 10 HB2 GLN 10 10.499 14.673 11.556
76 HB3 GLN 10 HB3 GLN 10 10.807 16.122 10.608
77 HG2 GLN 10 HG2 GLN 10 10.059 13.736 9.063
78 HG3 GLN 10 HG3 GLN 10 8.809 14.384 10.123
79 HE21 GLN 10 HE21 GLN 10 10.171 14.570 7.111
80 HE22 GLN 10 HE22 GLN 10 9.561 16.111 6.625
81 H GLY 11 H GLY 11 14.389 15.733 9.950
82 HA2 GLY 11 HA2 GLY 11 14.849 15.987 12.850
83 HA3 GLY 11 HA3 GLY 11 16.110 15.335 11.813
84 H GLU 12 H GLU 12 17.009 17.342 13.126
85 HA GLU 12 HA GLU 12 16.776 19.677 11.343
86 HB2 GLU 12 HB2 GLU 12 15.849 20.250 13.489
87 HB3 GLU 12 HB3 GLU 12 17.248 19.590 14.325
88 HG2 GLU 12 HG2 GLU 12 18.606 21.368 13.732
89 HG3 GLU 12 HG3 GLU 12 17.568 21.841 12.387
90 H VAL 13 H VAL 13 18.628 20.615 10.607
91 HA VAL 13 HA VAL 13 20.975 19.074 10.487
92 HB VAL 13 HB VAL 13 20.594 22.012 9.895
93 HG11 VAL 13 HG11 VAL 13 22.934 21.567 10.247
94 HG12 VAL 13 HG12 VAL 13 22.861 20.148 9.201
95 HG13 VAL 13 HG13 VAL 13 22.640 21.759 8.519
96 HG21 VAL 13 HG21 VAL 13 20.382 21.322 7.584
97 HG22 VAL 13 HG22 VAL 13 20.630 19.635 8.036
98 HG23 VAL 13 HG23 VAL 13 19.180 20.487 8.568
99 H ILE 14 H ILE 14 22.707 18.939 11.768
100 HA ILE 14 HA ILE 14 22.962 20.899 13.956
101 HB ILE 14 HB ILE 14 22.360 18.610 14.714
102 HG12 ILE 14 HG12 ILE 14 25.134 19.524 15.509
103 HG13 ILE 14 HG13 ILE 14 23.625 20.151 16.165
104 HG21 ILE 14 HG21 ILE 14 25.040 17.887 13.537
105 HG22 ILE 14 HG22 ILE 14 24.083 16.846 14.589
106 HG23 ILE 14 HG23 ILE 14 23.461 17.307 13.005
107 HD11 ILE 14 HD11 ILE 14 25.147 17.896 16.998
108 HD12 ILE 14 HD12 ILE 14 23.699 18.593 17.725
109 HD13 ILE 14 HD13 ILE 14 23.551 17.356 16.477
110 H GLU 15 H GLU 15 24.565 19.158 11.408
111 HA GLU 15 HA GLU 15 26.964 20.790 11.867
112 HB2 GLU 15 HB2 GLU 15 27.070 18.240 12.538
113 HB3 GLU 15 HB3 GLU 15 27.273 18.014 10.806
114 HG2 GLU 15 HG2 GLU 15 29.220 19.485 10.838
115 HG3 GLU 15 HG3 GLU 15 29.017 19.715 12.574
116 H ASN 16 H ASN 16 28.063 21.452 10.022
117 HA ASN 16 HA ASN 16 26.830 20.759 7.444
118 HB2 ASN 16 HB2 ASN 16 27.239 23.195 6.792
119 HB3 ASN 16 HB3 ASN 16 25.903 22.889 7.897
120 HD21 ASN 16 HD21 ASN 16 28.578 24.752 7.328
121 HD22 ASN 16 HD22 ASN 16 28.815 25.389 8.916
122 H LEU 17 H LEU 17 28.251 20.165 5.940
123 HA LEU 17 HA LEU 17 31.019 21.116 6.127
124 HB2 LEU 17 HB2 LEU 17 30.063 18.286 6.093
125 HB3 LEU 17 HB3 LEU 17 31.608 18.695 5.349
126 HG LEU 17 HG LEU 17 30.946 19.322 8.220
127 HD11 LEU 17 HD11 LEU 17 32.265 16.886 7.041
128 HD12 LEU 17 HD12 LEU 17 30.807 16.949 8.030
129 HD13 LEU 17 HD13 LEU 17 32.373 17.342 8.741
130 HD21 LEU 17 HD21 LEU 17 32.752 20.625 7.166
131 HD22 LEU 17 HD22 LEU 17 33.576 19.120 6.756
132 HD23 LEU 17 HD23 LEU 17 33.343 19.566 8.447
133 HA PRO 18 HA PRO 18 30.807 21.674 1.780
134 HB2 PRO 18 HB2 PRO 18 33.330 21.045 1.001
135 HB3 PRO 18 HB3 PRO 18 32.939 22.524 1.887
136 HG2 PRO 18 HG2 PRO 18 34.058 19.943 2.910
137 HG3 PRO 18 HG3 PRO 18 34.527 21.604 3.315
138 HD2 PRO 18 HD2 PRO 18 32.934 20.109 4.915
139 HD3 PRO 18 HD3 PRO 18 32.776 21.873 4.789
140 H ASN 19 H ASN 19 31.873 20.468 -0.323
141 HA ASN 19 HA ASN 19 31.718 18.691 -1.734
142 HB2 ASN 19 HB2 ASN 19 33.113 17.717 0.316
143 HB3 ASN 19 HB3 ASN 19 31.674 16.719 0.501
144 HD21 ASN 19 HD21 ASN 19 33.772 17.884 -2.117
145 HD22 ASN 19 HD22 ASN 19 33.886 16.363 -2.929
146 H ALA 20 H ALA 20 29.336 19.918 -0.601
147 HA ALA 20 HA ALA 20 27.077 19.626 -0.477
148 HB1 ALA 20 HB1 ALA 20 26.114 18.452 -2.243
149 HB2 ALA 20 HB2 ALA 20 27.710 18.889 -2.856
150 HB3 ALA 20 HB3 ALA 20 27.406 17.252 -2.275
151 H THR 21 H THR 21 27.896 18.770 1.788
152 HA THR 21 HA THR 21 26.408 16.296 2.263
153 HB THR 21 HB THR 21 29.012 16.687 3.699
154 HG1 THR 21 HG1 THR 21 28.789 15.114 1.350
155 HG21 THR 21 HG21 THR 21 27.392 14.240 2.977
156 HG22 THR 21 HG22 THR 21 27.416 15.034 4.552
157 HG23 THR 21 HG23 THR 21 28.872 14.254 3.935
158 H PHE 22 H PHE 22 25.534 16.105 4.349
159 HA PHE 22 HA PHE 22 25.999 18.187 6.301
160 HB2 PHE 22 HB2 PHE 22 23.400 17.953 4.795
161 HB3 PHE 22 HB3 PHE 22 23.481 18.676 6.398
162 HD1 PHE 22 HD2 PHE 22 24.735 20.761 6.754
163 HD2 PHE 22 HD1 PHE 22 24.192 19.105 2.871
164 HE1 PHE 22 HE2 PHE 22 25.364 22.917 5.750
165 HE2 PHE 22 HE1 PHE 22 24.821 21.258 1.861
166 HZ PHE 22 HZ PHE 22 25.407 23.169 3.300
167 H ARG 23 H ARG 23 25.047 17.732 8.356
168 HA ARG 23 HA ARG 23 24.138 14.942 8.639
169 HB2 ARG 23 HB2 ARG 23 26.506 15.791 9.542
170 HB3 ARG 23 HB3 ARG 23 25.514 16.284 10.908
171 HG2 ARG 23 HG2 ARG 23 24.661 13.945 11.040
172 HG3 ARG 23 HG3 ARG 23 25.840 13.507 9.801
173 HD2 ARG 23 HD2 ARG 23 27.510 14.693 11.460
174 HD3 ARG 23 HD3 ARG 23 26.263 14.297 12.641
175 HE ARG 23 HE ARG 23 26.832 12.080 12.460
176 HH11 ARG 23 HH11 ARG 23 28.316 13.879 9.876
177 HH12 ARG 23 HH12 ARG 23 29.313 12.561 9.355
178 HH21 ARG 23 HH21 ARG 23 28.140 10.337 11.785
179 HH22 ARG 23 HH22 ARG 23 29.212 10.547 10.442
180 H VAL 24 H VAL 24 22.086 14.863 9.246
181 HA VAL 24 HA VAL 24 20.982 17.066 10.846
182 HB VAL 24 HB VAL 24 19.872 16.472 8.673
183 HG11 VAL 24 HG11 VAL 24 19.119 13.970 10.181
184 HG12 VAL 24 HG12 VAL 24 18.446 14.472 8.629
185 HG13 VAL 24 HG13 VAL 24 20.157 14.060 8.759
186 HG21 VAL 24 HG21 VAL 24 18.477 17.704 10.011
187 HG22 VAL 24 HG22 VAL 24 17.533 16.223 9.852
188 HG23 VAL 24 HG23 VAL 24 18.484 16.510 11.309
189 H LYS 25 H LYS 25 20.058 16.733 12.812
190 HA LYS 25 HA LYS 25 20.470 14.086 14.005
191 HB2 LYS 25 HB2 LYS 25 20.522 15.149 16.121
192 HB3 LYS 25 HB3 LYS 25 21.464 16.175 15.046
193 HG2 LYS 25 HG2 LYS 25 19.586 17.698 14.819
194 HG3 LYS 25 HG3 LYS 25 18.600 16.655 15.847
195 HD2 LYS 25 HD2 LYS 25 21.212 17.788 16.802
196 HD3 LYS 25 HD3 LYS 25 19.709 18.707 16.920
197 HE2 LYS 25 HE2 LYS 25 19.694 17.677 18.958
198 HE3 LYS 25 HE3 LYS 25 18.836 16.466 18.008
199 HZ1 LYS 25 HZ1 LYS 25 21.030 16.005 19.523
200 HZ2 LYS 25 HZ2 LYS 25 21.689 16.133 17.971
201 HZ3 LYS 25 HZ3 LYS 25 20.473 14.999 18.282
202 H LEU 26 H LEU 26 18.828 12.862 14.748
203 HA LEU 26 HA LEU 26 16.142 13.611 14.025
204 HB2 LEU 26 HB2 LEU 26 16.865 11.180 15.616
205 HB3 LEU 26 HB3 LEU 26 15.541 11.404 14.475
206 HG LEU 26 HG LEU 26 17.781 11.709 12.898
207 HD11 LEU 26 HD11 LEU 26 19.494 10.454 13.587
208 HD12 LEU 26 HD12 LEU 26 18.439 9.175 14.188
209 HD13 LEU 26 HD13 LEU 26 18.771 10.588 15.190
210 HD21 LEU 26 HD21 LEU 26 16.328 9.117 13.391
211 HD22 LEU 26 HD22 LEU 26 17.107 9.653 11.903
212 HD23 LEU 26 HD23 LEU 26 15.647 10.462 12.475
213 H GLU 27 H GLU 27 14.972 12.039 16.254
214 HA GLU 27 HA GLU 27 14.813 14.237 18.165
215 HB2 GLU 27 HB2 GLU 27 13.116 11.805 17.651
216 HB3 GLU 27 HB3 GLU 27 12.913 12.780 19.100
217 HG2 GLU 27 HG2 GLU 27 12.703 13.827 16.287
218 HG3 GLU 27 HG3 GLU 27 11.336 13.355 17.295
219 H ASN 28 H ASN 28 15.652 10.817 18.017
220 HA ASN 28 HA ASN 28 16.020 10.437 20.794
221 HB2 ASN 28 HB2 ASN 28 17.411 8.452 20.046
222 HB3 ASN 28 HB3 ASN 28 15.756 8.494 19.444
223 HD21 ASN 28 HD21 ASN 28 16.609 6.998 17.846
224 HD22 ASN 28 HD22 ASN 28 17.384 7.631 16.437
225 H GLY 29 H GLY 29 17.814 12.174 18.513
226 HA2 GLY 29 HA2 GLY 29 19.565 13.626 19.380
227 HA3 GLY 29 HA3 GLY 29 20.092 12.286 20.387
228 H HIS 30 H HIS 30 19.680 10.416 18.068
229 HA HIS 30 HA HIS 30 22.309 10.310 17.153
230 HB2 HIS 30 HB2 HIS 30 19.740 9.061 16.273
231 HB3 HIS 30 HB3 HIS 30 21.153 8.907 15.234
232 HD1 HIS 30 HD1 HIS 30 21.132 6.332 15.709
233 HD2 HIS 30 HD2 HIS 30 21.819 8.716 19.042
234 HE1 HIS 30 HE1 HIS 30 22.007 4.775 17.480
235 H VAL 31 H VAL 31 23.098 10.548 14.929
236 HA VAL 31 HA VAL 31 21.703 12.626 13.390
237 HB VAL 31 HB VAL 31 23.945 13.677 12.921
238 HG11 VAL 31 HG11 VAL 31 23.944 14.373 15.615
239 HG12 VAL 31 HG12 VAL 31 23.044 15.158 14.316
240 HG13 VAL 31 HG13 VAL 31 22.284 13.886 15.274
241 HG21 VAL 31 HG21 VAL 31 24.796 12.063 15.324
242 HG22 VAL 31 HG22 VAL 31 25.322 11.777 13.665
243 HG23 VAL 31 HG23 VAL 31 25.761 13.276 14.482
244 H VAL 32 H VAL 32 21.663 12.267 11.254
245 HA VAL 32 HA VAL 32 23.276 10.033 10.219
246 HB VAL 32 HB VAL 32 21.615 9.755 8.482
247 HG11 VAL 32 HG11 VAL 32 19.558 9.752 10.362
248 HG12 VAL 32 HG12 VAL 32 20.654 8.421 9.982
249 HG13 VAL 32 HG13 VAL 32 21.034 9.530 11.300
250 HG21 VAL 32 HG21 VAL 32 19.586 11.105 8.399
251 HG22 VAL 32 HG22 VAL 32 20.175 12.091 9.738
252 HG23 VAL 32 HG23 VAL 32 21.019 12.113 8.189
253 H LEU 33 H LEU 33 24.535 10.275 8.426
254 HA LEU 33 HA LEU 33 24.896 13.029 7.470
255 HB2 LEU 33 HB2 LEU 33 26.828 11.843 8.511
256 HB3 LEU 33 HB3 LEU 33 26.770 10.688 7.182
257 HG LEU 33 HG LEU 33 27.144 12.685 5.643
258 HD11 LEU 33 HD11 LEU 33 27.126 13.998 8.227
259 HD12 LEU 33 HD12 LEU 33 27.030 14.686 6.607
260 HD13 LEU 33 HD13 LEU 33 28.602 14.326 7.319
261 HD21 LEU 33 HD21 LEU 33 29.183 11.611 7.562
262 HD22 LEU 33 HD22 LEU 33 29.625 12.758 6.297
263 HD23 LEU 33 HD23 LEU 33 28.926 11.197 5.867
264 H GLY 34 H GLY 34 24.629 13.558 5.367
265 HA2 GLY 34 HA2 GLY 34 24.573 11.542 3.298
266 HA3 GLY 34 HA3 GLY 34 22.999 12.237 3.657
267 H HIS 35 H HIS 35 23.395 12.740 1.257
268 HA HIS 35 HA HIS 35 24.627 15.410 1.086
269 HB2 HIS 35 HB2 HIS 35 25.058 14.833 -1.355
270 HB3 HIS 35 HB3 HIS 35 26.067 14.006 -0.171
271 HD1 HIS 35 HD1 HIS 35 23.245 13.400 -2.574
272 HD2 HIS 35 HD2 HIS 35 25.781 11.247 -0.084
273 HE1 HIS 35 HE1 HIS 35 22.904 10.986 -3.191
274 H ILE 36 H ILE 36 23.561 16.953 -0.154
275 HA ILE 36 HA ILE 36 20.742 16.339 -0.675
276 HB ILE 36 HB ILE 36 21.254 18.244 0.825
277 HG12 ILE 36 HG12 ILE 36 19.289 18.063 -0.971
278 HG13 ILE 36 HG13 ILE 36 19.473 19.470 0.070
279 HG21 ILE 36 HG21 ILE 36 23.299 19.058 -0.079
280 HG22 ILE 36 HG22 ILE 36 22.555 19.362 -1.648
281 HG23 ILE 36 HG23 ILE 36 22.104 20.343 -0.254
282 HD11 ILE 36 HD11 ILE 36 20.792 19.412 -2.604
283 HD12 ILE 36 HD12 ILE 36 19.075 19.791 -2.462
284 HD13 ILE 36 HD13 ILE 36 20.271 20.792 -1.638
285 H SER 37 H SER 37 19.761 16.762 -2.633
286 HA SER 37 HA SER 37 21.480 17.641 -4.845
287 HB2 SER 37 HB2 SER 37 21.451 15.192 -4.908
288 HB3 SER 37 HB3 SER 37 19.687 15.201 -4.897
289 HG SER 37 HG SER 37 21.363 15.451 -6.979
290 H GLY 38 H GLY 38 20.348 18.500 -6.666
291 HA2 GLY 38 HA2 GLY 38 17.741 18.717 -7.246
292 HA3 GLY 38 HA3 GLY 38 17.882 19.821 -5.886
293 H LYS 39 H LYS 39 17.028 21.098 -7.919
294 HA LYS 39 HA LYS 39 19.217 22.067 -9.581
295 HB2 LYS 39 HB2 LYS 39 16.337 22.971 -9.620
296 HB3 LYS 39 HB3 LYS 39 17.546 23.187 -10.879
297 HG2 LYS 39 HG2 LYS 39 17.543 20.851 -11.380
298 HG3 LYS 39 HG3 LYS 39 16.515 20.505 -9.987
299 HD2 LYS 39 HD2 LYS 39 15.627 22.344 -12.190
300 HD3 LYS 39 HD3 LYS 39 15.405 20.596 -12.294
301 HE2 LYS 39 HE2 LYS 39 14.325 20.853 -9.948
302 HE3 LYS 39 HE3 LYS 39 14.178 22.553 -10.390
303 HZ1 LYS 39 HZ1 LYS 39 12.464 22.100 -11.702
304 HZ2 LYS 39 HZ2 LYS 39 12.441 20.540 -11.050
305 HZ3 LYS 39 HZ3 LYS 39 13.282 20.843 -12.485
306 H MET 40 H MET 40 17.513 22.928 -6.738
307 HA MET 40 HA MET 40 18.127 25.750 -6.902
308 HB2 MET 40 HB2 MET 40 16.757 23.985 -4.910
309 HB3 MET 40 HB3 MET 40 17.319 25.574 -4.410
310 HG2 MET 40 HG2 MET 40 15.245 26.166 -5.054
311 HG3 MET 40 HG3 MET 40 16.026 26.276 -6.630
312 HE1 MET 40 HE1 MET 40 14.162 24.119 -4.159
313 HE2 MET 40 HE2 MET 40 13.265 22.948 -5.126
314 HE3 MET 40 HE3 MET 40 14.989 22.714 -4.832
315 H ARG 41 H ARG 41 19.653 22.895 -5.793
316 HA ARG 41 HA ARG 41 21.345 24.171 -3.844
317 HB2 ARG 41 HB2 ARG 41 22.435 22.024 -3.648
318 HB3 ARG 41 HB3 ARG 41 20.694 21.781 -3.688
319 HG2 ARG 41 HG2 ARG 41 20.824 20.501 -5.497
320 HG3 ARG 41 HG3 ARG 41 21.853 21.664 -6.336
321 HD2 ARG 41 HD2 ARG 41 23.213 20.245 -4.177
322 HD3 ARG 41 HD3 ARG 41 22.623 19.181 -5.454
323 HE ARG 41 HE ARG 41 23.912 21.307 -6.690
324 HH11 ARG 41 HH11 ARG 41 24.708 18.686 -4.541
325 HH12 ARG 41 HH12 ARG 41 26.342 18.550 -5.102
326 HH21 ARG 41 HH21 ARG 41 26.060 21.138 -7.436
327 HH22 ARG 41 HH22 ARG 41 27.110 19.946 -6.748
328 H MET 42 H MET 42 21.304 23.988 -7.208
329 HA MET 42 HA MET 42 24.154 24.020 -7.622
330 HB2 MET 42 HB2 MET 42 22.212 23.253 -9.232
331 HB3 MET 42 HB3 MET 42 22.213 24.949 -9.698
332 HG2 MET 42 HG2 MET 42 24.839 23.610 -9.635
333 HG3 MET 42 HG3 MET 42 23.716 23.081 -10.885
334 HE1 MET 42 HE1 MET 42 25.469 23.596 -12.438
335 HE2 MET 42 HE2 MET 42 24.241 24.416 -13.402
336 HE3 MET 42 HE3 MET 42 25.806 25.183 -13.130
337 H HIS 43 H HIS 43 21.847 26.293 -6.681
338 HA HIS 43 HA HIS 43 23.294 28.568 -7.798
339 HB2 HIS 43 HB2 HIS 43 20.679 28.269 -7.568
340 HB3 HIS 43 HB3 HIS 43 20.972 28.880 -5.942
341 HD1 HIS 43 HD1 HIS 43 21.129 31.354 -5.699
342 HD2 HIS 43 HD2 HIS 43 21.577 30.130 -9.644
343 HE1 HIS 43 HE1 HIS 43 21.190 33.470 -7.057
344 H TYR 44 H TYR 44 24.200 26.691 -5.546
345 HA TYR 44 HA TYR 44 25.296 26.817 -3.552
346 HB2 TYR 44 HB2 TYR 44 26.523 28.494 -5.142
347 HB3 TYR 44 HB3 TYR 44 25.828 29.719 -4.087
348 HD1 TYR 44 HD1 TYR 44 27.365 26.371 -3.438
349 HD2 TYR 44 HD2 TYR 44 27.451 30.557 -2.680
350 HE1 TYR 44 HE1 TYR 44 29.211 26.039 -1.846
351 HE2 TYR 44 HE2 TYR 44 29.298 30.236 -1.087
352 HH TYR 44 HH TYR 44 30.077 28.074 0.415
353 H ILE 45 H ILE 45 22.714 26.926 -3.040
354 HA ILE 45 HA ILE 45 21.660 29.200 -1.813
355 HB ILE 45 HB ILE 45 20.215 27.571 -0.527
356 HG12 ILE 45 HG12 ILE 45 21.315 25.417 -2.284
357 HG13 ILE 45 HG13 ILE 45 22.153 25.790 -0.781
358 HG21 ILE 45 HG21 ILE 45 20.449 27.733 -3.483
359 HG22 ILE 45 HG22 ILE 45 19.310 26.571 -2.803
360 HG23 ILE 45 HG23 ILE 45 19.157 28.285 -2.417
361 HD11 ILE 45 HD11 ILE 45 19.252 25.442 -0.531
362 HD12 ILE 45 HD12 ILE 45 20.150 24.002 -1.010
363 HD13 ILE 45 HD13 ILE 45 20.565 24.845 0.483
364 H ARG 46 H ARG 46 21.302 29.623 0.464
365 HA ARG 46 HA ARG 46 23.723 29.175 2.003
366 HB2 ARG 46 HB2 ARG 46 21.276 30.818 2.679
367 HB3 ARG 46 HB3 ARG 46 22.804 30.830 3.549
368 HG2 ARG 46 HG2 ARG 46 22.521 31.622 0.661
369 HG3 ARG 46 HG3 ARG 46 22.452 32.759 2.009
370 HD2 ARG 46 HD2 ARG 46 24.770 30.889 1.674
371 HD3 ARG 46 HD3 ARG 46 24.699 32.415 0.794
372 HE ARG 46 HE ARG 46 24.224 32.882 3.529
373 HH11 ARG 46 HH11 ARG 46 26.785 31.998 1.343
374 HH12 ARG 46 HH12 ARG 46 28.037 32.682 2.326
375 HH21 ARG 46 HH21 ARG 46 25.864 33.787 4.832
376 HH22 ARG 46 HH22 ARG 46 27.512 33.699 4.310
377 H ILE 47 H ILE 47 23.930 27.669 3.516
378 HA ILE 47 HA ILE 47 21.499 26.588 4.778
379 HB ILE 47 HB ILE 47 23.910 24.973 3.940
380 HG12 ILE 47 HG12 ILE 47 21.083 24.971 2.860
381 HG13 ILE 47 HG13 ILE 47 22.486 25.647 2.040
382 HG21 ILE 47 HG21 ILE 47 21.342 24.175 5.300
383 HG22 ILE 47 HG22 ILE 47 22.520 23.041 4.641
384 HG23 ILE 47 HG23 ILE 47 22.970 24.104 5.974
385 HD11 ILE 47 HD11 ILE 47 22.039 23.526 1.084
386 HD12 ILE 47 HD12 ILE 47 23.491 23.360 2.071
387 HD13 ILE 47 HD13 ILE 47 21.944 22.761 2.669
388 H LEU 48 H LEU 48 21.652 26.025 6.937
389 HA LEU 48 HA LEU 48 24.184 26.184 8.322
390 HB2 LEU 48 HB2 LEU 48 22.132 28.322 8.453
391 HB3 LEU 48 HB3 LEU 48 22.916 27.855 9.961
392 HG LEU 48 HG LEU 48 25.081 28.217 8.392
393 HD11 LEU 48 HD11 LEU 48 23.825 30.655 7.536
394 HD12 LEU 48 HD12 LEU 48 22.996 29.260 6.847
395 HD13 LEU 48 HD13 LEU 48 24.729 29.468 6.595
396 HD21 LEU 48 HD21 LEU 48 23.552 29.966 10.246
397 HD22 LEU 48 HD22 LEU 48 24.900 30.674 9.354
398 HD23 LEU 48 HD23 LEU 48 25.171 29.284 10.407
399 HA PRO 49 HA PRO 49 22.276 23.366 11.090
400 HB2 PRO 49 HB2 PRO 49 23.383 24.041 13.474
401 HB3 PRO 49 HB3 PRO 49 24.287 23.229 12.191
402 HG2 PRO 49 HG2 PRO 49 24.233 26.131 12.924
403 HG3 PRO 49 HG3 PRO 49 25.619 25.111 12.496
404 HD2 PRO 49 HD2 PRO 49 24.463 26.813 10.735
405 HD3 PRO 49 HD3 PRO 49 25.204 25.280 10.235
406 H GLY 50 H GLY 50 20.394 23.192 12.174
407 HA2 GLY 50 HA2 GLY 50 18.974 23.957 14.012
408 HA3 GLY 50 HA3 GLY 50 19.366 25.603 13.536
409 H ASP 51 H ASP 51 18.913 23.623 10.854
410 HA ASP 51 HA ASP 51 16.200 24.702 10.494
411 HB2 ASP 51 HB2 ASP 51 17.944 25.401 8.847
412 HB3 ASP 51 HB3 ASP 51 18.112 23.714 8.369
413 H LYS 52 H LYS 52 14.503 23.384 10.121
414 HA LYS 52 HA LYS 52 14.847 20.571 10.622
415 HB2 LYS 52 HB2 LYS 52 12.371 22.166 9.933
416 HB3 LYS 52 HB3 LYS 52 12.381 20.483 10.446
417 HG2 LYS 52 HG2 LYS 52 13.337 21.146 12.597
418 HG3 LYS 52 HG3 LYS 52 13.311 22.834 12.082
419 HD2 LYS 52 HD2 LYS 52 10.770 22.327 11.648
420 HD3 LYS 52 HD3 LYS 52 11.050 21.030 12.812
421 HE2 LYS 52 HE2 LYS 52 10.446 22.703 14.242
422 HE3 LYS 52 HE3 LYS 52 12.185 22.985 14.179
423 HZ1 LYS 52 HZ1 LYS 52 11.593 24.555 12.255
424 HZ2 LYS 52 HZ2 LYS 52 11.292 25.073 13.837
425 HZ3 LYS 52 HZ3 LYS 52 10.020 24.505 12.878
426 H VAL 53 H VAL 53 15.180 19.058 9.141
427 HA VAL 53 HA VAL 53 14.087 19.414 6.445
428 HB VAL 53 HB VAL 53 16.147 18.707 5.381
429 HG11 VAL 53 HG11 VAL 53 17.086 20.766 5.355
430 HG12 VAL 53 HG12 VAL 53 15.657 21.175 6.305
431 HG13 VAL 53 HG13 VAL 53 17.193 20.859 7.113
432 HG21 VAL 53 HG21 VAL 53 17.145 17.284 6.982
433 HG22 VAL 53 HG22 VAL 53 18.254 18.642 6.786
434 HG23 VAL 53 HG23 VAL 53 17.198 18.563 8.196
435 H THR 54 H THR 54 14.072 17.397 5.190
436 HA THR 54 HA THR 54 13.583 15.108 6.955
437 HB THR 54 HB THR 54 12.822 15.264 4.045
438 HG1 THR 54 HG1 THR 54 11.717 16.970 4.837
439 HG21 THR 54 HG21 THR 54 11.781 13.690 6.402
440 HG22 THR 54 HG22 THR 54 12.676 13.062 5.018
441 HG23 THR 54 HG23 THR 54 11.044 13.695 4.801
442 H VAL 55 H VAL 55 14.483 13.087 6.581
443 HA VAL 55 HA VAL 55 16.510 12.868 4.475
444 HB VAL 55 HB VAL 55 17.965 11.659 6.234
445 HG11 VAL 55 HG11 VAL 55 18.217 14.006 5.101
446 HG12 VAL 55 HG12 VAL 55 17.863 14.599 6.724
447 HG13 VAL 55 HG13 VAL 55 19.254 13.550 6.452
448 HG21 VAL 55 HG21 VAL 55 17.737 12.504 8.515
449 HG22 VAL 55 HG22 VAL 55 16.287 13.392 8.048
450 HG23 VAL 55 HG23 VAL 55 16.289 11.629 8.015
451 H GLU 56 H GLU 56 16.634 10.891 3.554
452 HA GLU 56 HA GLU 56 14.799 8.844 4.574
453 HB2 GLU 56 HB2 GLU 56 15.324 9.838 1.989
454 HB3 GLU 56 HB3 GLU 56 15.952 8.196 2.017
455 HG2 GLU 56 HG2 GLU 56 13.898 7.260 2.262
456 HG3 GLU 56 HG3 GLU 56 13.245 8.646 3.132
457 H LEU 57 H LEU 57 15.577 7.129 5.593
458 HA LEU 57 HA LEU 57 18.413 6.433 5.209
459 HB2 LEU 57 HB2 LEU 57 16.786 5.540 7.553
460 HB3 LEU 57 HB3 LEU 57 18.533 5.723 7.417
461 HG LEU 57 HG LEU 57 17.871 8.281 7.174
462 HD11 LEU 57 HD11 LEU 57 16.001 8.512 9.023
463 HD12 LEU 57 HD12 LEU 57 15.489 6.961 8.360
464 HD13 LEU 57 HD13 LEU 57 15.598 8.375 7.311
465 HD21 LEU 57 HD21 LEU 57 19.369 7.417 8.853
466 HD22 LEU 57 HD22 LEU 57 18.018 6.739 9.762
467 HD23 LEU 57 HD23 LEU 57 18.194 8.488 9.617
468 H THR 58 H THR 58 18.988 4.185 5.229
469 HA THR 58 HA THR 58 16.832 2.475 4.184
470 HB THR 58 HB THR 58 19.117 1.143 3.525
471 HG1 THR 58 HG1 THR 58 20.507 2.786 4.160
472 HG21 THR 58 HG21 THR 58 17.207 2.897 2.164
473 HG22 THR 58 HG22 THR 58 17.816 1.308 1.700
474 HG23 THR 58 HG23 THR 58 18.758 2.754 1.338
475 HA PRO 59 HA PRO 59 17.212 -0.389 7.487
476 HB2 PRO 59 HB2 PRO 59 16.918 -2.770 6.217
477 HB3 PRO 59 HB3 PRO 59 15.581 -1.639 6.459
478 HG2 PRO 59 HG2 PRO 59 17.272 -2.083 4.028
479 HG3 PRO 59 HG3 PRO 59 15.517 -1.855 4.144
480 HD2 PRO 59 HD2 PRO 59 17.201 0.139 3.423
481 HD3 PRO 59 HD3 PRO 59 15.700 0.435 4.324
482 H TYR 60 H TYR 60 19.072 -1.412 4.623
483 HA TYR 60 HA TYR 60 20.897 -3.019 6.083
484 HB2 TYR 60 HB2 TYR 60 20.356 -3.088 3.568
485 HB3 TYR 60 HB3 TYR 60 21.496 -1.756 3.415
486 HD1 TYR 60 HD1 TYR 60 21.489 -4.972 5.330
487 HD2 TYR 60 HD2 TYR 60 23.508 -2.463 2.551
488 HE1 TYR 60 HE1 TYR 60 23.347 -6.581 5.237
489 HE2 TYR 60 HE2 TYR 60 25.371 -4.065 2.448
490 HH TYR 60 HH TYR 60 25.273 -7.052 3.213
491 H ASP 61 H ASP 61 21.034 0.298 4.851
492 HA ASP 61 HA ASP 61 23.506 0.706 6.400
493 HB2 ASP 61 HB2 ASP 61 22.462 2.364 4.095
494 HB3 ASP 61 HB3 ASP 61 24.010 2.561 4.911
495 H LEU 62 H LEU 62 23.252 1.764 8.242
496 HA LEU 62 HA LEU 62 21.009 3.656 8.486
497 HB2 LEU 62 HB2 LEU 62 21.061 3.246 10.870
498 HB3 LEU 62 HB3 LEU 62 20.870 1.734 9.986
499 HG LEU 62 HG LEU 62 23.625 2.490 10.773
500 HD11 LEU 62 HD11 LEU 62 21.453 1.800 12.715
501 HD12 LEU 62 HD12 LEU 62 22.696 3.044 12.831
502 HD13 LEU 62 HD13 LEU 62 23.129 1.345 13.019
503 HD21 LEU 62 HD21 LEU 62 23.061 -0.123 11.482
504 HD22 LEU 62 HD22 LEU 62 23.845 0.414 9.996
505 HD23 LEU 62 HD23 LEU 62 22.103 0.138 10.024
506 H SER 63 H SER 63 24.380 3.375 8.378
507 HA SER 63 HA SER 63 24.833 5.860 9.850
508 HB2 SER 63 HB2 SER 63 27.298 5.231 9.110
509 HB3 SER 63 HB3 SER 63 26.522 4.416 10.468
510 HG SER 63 HG SER 63 27.348 2.836 9.163
511 H ARG 64 H ARG 64 23.454 5.701 7.215
512 HA ARG 64 HA ARG 64 24.639 7.974 6.019
513 HB2 ARG 64 HB2 ARG 64 25.200 6.893 3.818
514 HB3 ARG 64 HB3 ARG 64 26.297 6.504 5.136
515 HG2 ARG 64 HG2 ARG 64 24.154 4.586 4.992
516 HG3 ARG 64 HG3 ARG 64 24.989 4.724 3.443
517 HD2 ARG 64 HD2 ARG 64 27.108 4.661 5.079
518 HD3 ARG 64 HD3 ARG 64 25.967 3.737 6.055
519 HE ARG 64 HE ARG 64 25.794 2.627 3.568
520 HH11 ARG 64 HH11 ARG 64 28.377 3.227 5.823
521 HH12 ARG 64 HH12 ARG 64 29.316 1.864 5.312
522 HH21 ARG 64 HH21 ARG 64 27.021 0.829 2.886
523 HH22 ARG 64 HH22 ARG 64 28.544 0.501 3.640
524 H ALA 65 H ALA 65 22.938 9.062 5.309
525 HA ALA 65 HA ALA 65 20.773 7.591 3.964
526 HB1 ALA 65 HB1 ALA 65 19.318 9.505 5.072
527 HB2 ALA 65 HB2 ALA 65 19.659 7.992 5.911
528 HB3 ALA 65 HB3 ALA 65 20.598 9.437 6.283
529 H ARG 66 H ARG 66 19.225 9.298 2.902
530 HA ARG 66 HA ARG 66 20.948 11.068 1.320
531 HB2 ARG 66 HB2 ARG 66 19.249 10.989 -0.385
532 HB3 ARG 66 HB3 ARG 66 19.599 9.346 0.134
533 HG2 ARG 66 HG2 ARG 66 17.568 9.774 1.748
534 HG3 ARG 66 HG3 ARG 66 17.152 10.983 0.531
535 HD2 ARG 66 HD2 ARG 66 16.045 8.920 -0.012
536 HD3 ARG 66 HD3 ARG 66 17.309 9.220 -1.203
537 HE ARG 66 HE ARG 66 18.452 7.634 0.743
538 HH11 ARG 66 HH11 ARG 66 15.794 7.401 -1.494
539 HH12 ARG 66 HH12 ARG 66 15.907 5.679 -1.652
540 HH21 ARG 66 HH21 ARG 66 18.611 5.367 0.543
541 HH22 ARG 66 HH22 ARG 66 17.510 4.523 -0.492
542 H ILE 67 H ILE 67 20.728 13.224 1.353
543 HA ILE 67 HA ILE 67 19.037 14.426 3.329
544 HB ILE 67 HB ILE 67 20.764 15.728 1.220
545 HG12 ILE 67 HG12 ILE 67 21.993 14.293 2.836
546 HG13 ILE 67 HG13 ILE 67 22.409 15.997 2.984
547 HG21 ILE 67 HG21 ILE 67 19.171 17.330 1.907
548 HG22 ILE 67 HG22 ILE 67 19.297 16.841 3.596
549 HG23 ILE 67 HG23 ILE 67 20.638 17.684 2.820
550 HD11 ILE 67 HD11 ILE 67 20.225 15.261 4.732
551 HD12 ILE 67 HD12 ILE 67 21.674 14.298 5.024
552 HD13 ILE 67 HD13 ILE 67 21.754 16.058 5.100
553 H VAL 68 H VAL 68 17.094 15.339 3.092
554 HA VAL 68 HA VAL 68 16.057 15.687 0.353
555 HB VAL 68 HB VAL 68 14.290 15.173 2.729
556 HG11 VAL 68 HG11 VAL 68 13.996 15.038 -0.253
557 HG12 VAL 68 HG12 VAL 68 12.876 14.199 0.821
558 HG13 VAL 68 HG13 VAL 68 13.043 15.953 0.915
559 HG21 VAL 68 HG21 VAL 68 15.842 13.312 2.661
560 HG22 VAL 68 HG22 VAL 68 14.255 12.793 2.093
561 HG23 VAL 68 HG23 VAL 68 15.549 13.099 0.935
562 H PHE 69 H PHE 69 14.338 17.330 0.151
563 HA PHE 69 HA PHE 69 15.131 19.836 0.947
564 HB2 PHE 69 HB2 PHE 69 12.658 20.465 0.519
565 HB3 PHE 69 HB3 PHE 69 13.589 19.783 -0.810
566 HD1 PHE 69 HD2 PHE 69 11.569 18.480 2.050
567 HD2 PHE 69 HD1 PHE 69 12.452 18.289 -2.110
568 HE1 PHE 69 HE2 PHE 69 9.876 16.716 1.775
569 HE2 PHE 69 HE1 PHE 69 10.759 16.526 -2.392
570 HZ PHE 69 HZ PHE 69 9.469 15.736 -0.448
571 H ARG 70 H ARG 70 13.910 21.404 2.335
572 HA ARG 70 HA ARG 70 14.038 20.731 4.999
573 HB2 ARG 70 HB2 ARG 70 12.481 22.875 3.570
574 HB3 ARG 70 HB3 ARG 70 12.460 22.733 5.323
575 HG2 ARG 70 HG2 ARG 70 14.641 23.393 5.544
576 HG3 ARG 70 HG3 ARG 70 15.086 22.837 3.929
577 HD2 ARG 70 HD2 ARG 70 13.373 25.240 4.557
578 HD3 ARG 70 HD3 ARG 70 15.071 25.284 4.083
579 HE ARG 70 HE ARG 70 12.822 24.998 2.358
580 HH11 ARG 70 HH11 ARG 70 16.155 24.084 2.776
581 HH12 ARG 70 HH12 ARG 70 16.446 23.873 1.081
582 HH21 ARG 70 HH21 ARG 70 13.192 24.724 0.124
583 HH22 ARG 70 HH22 ARG 70 14.759 24.238 -0.426
584 H ALA 71 H ALA 71 12.419 20.405 6.621
585 HA ALA 71 HA ALA 71 10.257 18.696 5.677
586 HB1 ALA 71 HB1 ALA 71 11.017 17.532 7.427
587 HB2 ALA 71 HB2 ALA 71 11.823 18.936 8.128
588 HB3 ALA 71 HB3 ALA 71 10.102 18.674 8.411
589 H LYS 72 H LYS 72 8.259 18.866 7.334
590 HA LYS 72 HA LYS 72 6.789 21.085 6.590
591 HB2 LYS 72 HB2 LYS 72 5.735 19.067 7.430
592 HB3 LYS 72 HB3 LYS 72 6.451 19.315 9.017
593 HG2 LYS 72 HG2 LYS 72 5.039 21.090 9.517
594 HG3 LYS 72 HG3 LYS 72 4.631 21.368 7.822
595 HD2 LYS 72 HD2 LYS 72 3.883 18.837 9.265
596 HD3 LYS 72 HD3 LYS 72 2.850 20.268 9.272
597 HE2 LYS 72 HE2 LYS 72 3.862 19.122 6.696
598 HE3 LYS 72 HE3 LYS 72 2.452 18.427 7.494
599 HZ1 LYS 72 HZ1 LYS 72 1.623 20.006 5.997
600 HZ2 LYS 72 HZ2 LYS 72 2.776 21.167 6.425
601 HZ3 LYS 72 HZ3 LYS 72 1.539 20.767 7.506