NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
8760 |
1mut   |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 HT2 MET 1 13.774 16.343 11.147
2 2H MET 1 HT1 MET 1 13.303 17.969 10.994
3 3H MET 1 HT3 MET 1 12.395 16.750 10.242
4 HA MET 1 HA MET 1 13.566 17.397 8.437
5 1HB MET 1 HB2 MET 1 14.682 19.219 9.741
6 2HB MET 1 HB1 MET 1 15.893 18.051 10.270
7 1HG MET 1 HG2 MET 1 17.021 18.265 8.334
8 2HG MET 1 HG1 MET 1 15.567 17.907 7.402
9 1HE MET 1 HE1 MET 1 14.026 19.097 6.705
10 2HE MET 1 HE3 MET 1 13.552 20.707 7.264
11 3HE MET 1 HE2 MET 1 14.465 20.523 5.769
12 H LYS 2 HN LYS 2 13.287 14.795 9.270
13 HA LYS 2 HA LYS 2 15.979 13.612 8.715
14 1HB LYS 2 HB2 LYS 2 13.668 12.278 10.151
15 2HB LYS 2 HB1 LYS 2 15.314 11.666 9.987
16 1HG LYS 2 HG2 LYS 2 14.911 14.361 11.231
17 2HG LYS 2 HG1 LYS 2 14.560 12.925 12.194
18 1HD LYS 2 HD2 LYS 2 16.767 12.777 12.624
19 2HD LYS 2 HD1 LYS 2 16.999 12.363 10.925
20 1HE LYS 2 HE2 LYS 2 17.307 14.697 10.338
21 2HE LYS 2 HE1 LYS 2 16.896 15.205 11.977
22 1HZ LYS 2 HZ2 LYS 2 19.091 13.295 11.606
23 2HZ LYS 2 HZ1 LYS 2 19.375 14.930 11.243
24 3HZ LYS 2 HZ3 LYS 2 18.880 14.481 12.803
25 H LYS 3 HN LYS 3 15.884 11.545 7.467
26 HA LYS 3 HA LYS 3 13.860 11.767 5.316
27 1HB LYS 3 HB2 LYS 3 16.543 11.273 5.228
28 2HB LYS 3 HB1 LYS 3 15.902 9.631 5.178
29 1HG LYS 3 HG2 LYS 3 15.833 10.117 2.923
30 2HG LYS 3 HG1 LYS 3 14.246 10.729 3.393
31 1HD LYS 3 HD2 LYS 3 14.828 12.852 2.898
32 2HD LYS 3 HD1 LYS 3 16.328 12.721 3.818
33 1HE LYS 3 HE2 LYS 3 17.432 12.715 1.853
34 2HE LYS 3 HE1 LYS 3 16.736 11.124 1.547
35 1HZ LYS 3 HZ1 LYS 3 14.745 12.939 0.975
36 2HZ LYS 3 HZ3 LYS 3 16.152 13.601 0.296
37 3HZ LYS 3 HZ2 LYS 3 15.656 12.035 -0.138
38 H LEU 4 HN LEU 4 12.042 10.546 5.470
39 HA LEU 4 HA LEU 4 12.206 7.965 6.973
40 1HB LEU 4 HB2 LEU 4 10.753 9.706 8.009
41 2HB LEU 4 HB1 LEU 4 9.792 9.747 6.530
42 HG LEU 4 HG LEU 4 9.326 7.313 6.812
43 1HD1 LEU 4 HD13 LEU 4 11.101 7.777 9.179
44 2HD1 LEU 4 HD12 LEU 4 9.788 6.609 9.332
45 3HD1 LEU 4 HD11 LEU 4 11.024 6.389 8.093
46 1HD2 LEU 4 HD21 LEU 4 8.516 9.428 8.749
47 2HD2 LEU 4 HD23 LEU 4 7.523 8.477 7.644
48 3HD2 LEU 4 HD22 LEU 4 8.080 7.769 9.160
49 H GLN 5 HN GLN 5 11.790 6.150 5.769
50 HA GLN 5 HA GLN 5 10.161 6.454 3.293
51 1HB GLN 5 HB2 GLN 5 12.638 4.739 3.294
52 2HB GLN 5 HB1 GLN 5 11.740 5.384 1.920
53 1HG GLN 5 HG2 GLN 5 12.399 7.715 2.859
54 2HG GLN 5 HG1 GLN 5 13.613 6.832 3.783
55 1HE2 GLN 5 HE22 GLN 5 15.741 6.376 1.013
56 2HE2 GLN 5 HE21 GLN 5 15.509 6.199 2.686
57 H ILE 6 HN ILE 6 8.517 5.030 3.438
58 HA ILE 6 HA ILE 6 8.848 2.596 5.103
59 HB ILE 6 HB ILE 6 6.276 3.660 3.933
60 1HG1 ILE 6 HG12 ILE 6 7.440 5.494 5.156
61 2HG1 ILE 6 HG11 ILE 6 5.974 4.967 5.985
62 1HG2 ILE 6 HG23 ILE 6 7.118 1.642 5.907
63 2HG2 ILE 6 HG22 ILE 6 5.777 2.665 6.423
64 3HG2 ILE 6 HG21 ILE 6 5.649 1.725 4.935
65 1HD1 ILE 6 HD12 ILE 6 8.032 3.294 6.938
66 2HD1 ILE 6 HD11 ILE 6 8.705 4.924 6.932
67 3HD1 ILE 6 HD13 ILE 6 7.219 4.587 7.820
68 H ALA 7 HN ALA 7 7.278 0.756 4.128
69 HA ALA 7 HA ALA 7 7.563 0.612 1.175
70 1HB ALA 7 HB3 ALA 7 8.948 -1.102 3.184
71 2HB ALA 7 HB2 ALA 7 8.257 -1.921 1.783
72 3HB ALA 7 HB1 ALA 7 9.454 -0.646 1.557
73 H VAL 8 HN VAL 8 5.412 0.370 0.646
74 HA VAL 8 HA VAL 8 3.821 -1.576 2.283
75 HB VAL 8 HB VAL 8 2.919 0.716 2.315
76 1HG1 VAL 8 HG11 VAL 8 3.877 1.417 0.129
77 2HG1 VAL 8 HG13 VAL 8 2.724 0.365 -0.691
78 3HG1 VAL 8 HG12 VAL 8 2.149 1.754 0.231
79 1HG2 VAL 8 HG21 VAL 8 1.451 -1.407 2.142
80 2HG2 VAL 8 HG23 VAL 8 0.682 0.137 1.781
81 3HG2 VAL 8 HG22 VAL 8 1.185 -0.927 0.467
82 H GLY 9 HN GLY 9 2.165 -2.758 1.056
83 1HA GLY 9 HA2 GLY 9 2.646 -3.091 -1.832
84 2HA GLY 9 HA1 GLY 9 2.948 -4.505 -0.820
85 H ILE 10 HN ILE 10 0.621 -3.123 -2.676
86 HA ILE 10 HA ILE 10 -1.613 -3.939 -0.912
87 HB ILE 10 HB ILE 10 -2.111 -2.872 -3.640
88 1HG1 ILE 10 HG12 ILE 10 -1.260 -1.007 -1.405
89 2HG1 ILE 10 HG11 ILE 10 -0.165 -1.524 -2.680
90 1HG2 ILE 10 HG22 ILE 10 -3.351 -2.987 -0.982
91 2HG2 ILE 10 HG21 ILE 10 -3.574 -1.452 -1.823
92 3HG2 ILE 10 HG23 ILE 10 -4.100 -2.957 -2.578
93 1HD1 ILE 10 HD12 ILE 10 -2.407 -0.791 -4.098
94 2HD1 ILE 10 HD11 ILE 10 -2.349 0.407 -2.806
95 3HD1 ILE 10 HD13 ILE 10 -0.965 0.201 -3.879
96 H ILE 11 HN ILE 11 -3.182 -5.471 -1.705
97 HA ILE 11 HA ILE 11 -2.105 -7.140 -3.940
98 HB ILE 11 HB ILE 11 -3.885 -8.623 -2.207
99 1HG1 ILE 11 HG12 ILE 11 -2.575 -6.888 -0.629
100 2HG1 ILE 11 HG11 ILE 11 -2.881 -8.543 -0.162
101 1HG2 ILE 11 HG23 ILE 11 -2.243 -9.427 -3.966
102 2HG2 ILE 11 HG22 ILE 11 -0.960 -9.096 -2.809
103 3HG2 ILE 11 HG21 ILE 11 -2.198 -10.294 -2.432
104 1HD1 ILE 11 HD13 ILE 11 -0.583 -9.131 -1.118
105 2HD1 ILE 11 HD12 ILE 11 -0.300 -7.400 -1.254
106 3HD1 ILE 11 HD11 ILE 11 -0.563 -8.125 0.328
107 H ARG 12 HN ARG 12 -3.687 -8.147 -5.280
108 HA ARG 12 HA ARG 12 -6.512 -7.382 -4.956
109 1HB ARG 12 HB2 ARG 12 -5.343 -5.415 -6.077
110 2HB ARG 12 HB1 ARG 12 -5.033 -6.489 -7.440
111 1HG ARG 12 HG2 ARG 12 -7.456 -6.925 -7.648
112 2HG ARG 12 HG1 ARG 12 -7.764 -5.823 -6.307
113 1HD ARG 12 HD2 ARG 12 -8.112 -4.525 -8.270
114 2HD ARG 12 HD1 ARG 12 -6.519 -4.050 -7.678
115 HE ARG 12 HE ARG 12 -5.966 -6.104 -9.447
116 1HH1 ARG 12 HH21 ARG 12 -6.195 -2.827 -9.545
117 2HH1 ARG 12 HH22 ARG 12 -6.593 -2.695 -11.225
118 1HH2 ARG 12 HH11 ARG 12 -7.158 -6.089 -11.635
119 2HH2 ARG 12 HH12 ARG 12 -7.138 -4.539 -12.407
120 H ASN 13 HN ASN 13 -7.482 -9.320 -5.396
121 HA ASN 13 HA ASN 13 -6.989 -10.603 -7.984
122 1HB ASN 13 HB2 ASN 13 -6.348 -12.758 -7.129
123 2HB ASN 13 HB1 ASN 13 -5.209 -11.573 -6.504
124 1HD2 ASN 13 HD22 ASN 13 -6.431 -13.749 -3.674
125 2HD2 ASN 13 HD21 ASN 13 -5.678 -14.078 -5.160
126 H GLU 14 HN GLU 14 -8.124 -13.097 -7.305
127 HA GLU 14 HA GLU 14 -10.178 -14.130 -6.786
128 1HB GLU 14 HB2 GLU 14 -10.094 -11.937 -4.994
129 2HB GLU 14 HB1 GLU 14 -11.687 -11.912 -5.752
130 1HG GLU 14 HG2 GLU 14 -11.811 -13.327 -3.791
131 2HG GLU 14 HG1 GLU 14 -11.892 -14.365 -5.215
132 H ASN 15 HN ASN 15 -11.118 -10.802 -7.318
133 HA ASN 15 HA ASN 15 -12.078 -11.409 -10.029
134 1HB ASN 15 HB2 ASN 15 -13.889 -11.811 -8.222
135 2HB ASN 15 HB1 ASN 15 -13.879 -10.061 -8.043
136 1HD2 ASN 15 HD22 ASN 15 -15.184 -9.513 -11.393
137 2HD2 ASN 15 HD21 ASN 15 -14.072 -8.854 -10.294
138 H ASN 16 HN ASN 16 -11.904 -9.070 -7.447
139 HA ASN 16 HA ASN 16 -10.316 -7.168 -8.803
140 1HB ASN 16 HB2 ASN 16 -12.589 -7.100 -10.087
141 2HB ASN 16 HB1 ASN 16 -13.179 -6.247 -8.663
142 1HD2 ASN 16 HD22 ASN 16 -10.085 -4.402 -10.665
143 2HD2 ASN 16 HD21 ASN 16 -10.033 -6.084 -10.439
144 H GLU 17 HN GLU 17 -10.666 -8.402 -6.222
145 HA GLU 17 HA GLU 17 -11.453 -6.055 -4.535
146 1HB GLU 17 HB2 GLU 17 -10.861 -8.725 -3.327
147 2HB GLU 17 HB1 GLU 17 -12.066 -7.525 -2.861
148 1HG GLU 17 HG2 GLU 17 -13.323 -8.083 -4.978
149 2HG GLU 17 HG1 GLU 17 -12.191 -9.413 -5.229
150 H ILE 18 HN ILE 18 -9.985 -5.309 -2.922
151 HA ILE 18 HA ILE 18 -7.168 -6.236 -3.303
152 HB ILE 18 HB ILE 18 -7.142 -3.729 -2.037
153 1HG1 ILE 18 HG12 ILE 18 -9.546 -3.567 -2.835
154 2HG1 ILE 18 HG11 ILE 18 -8.478 -2.287 -3.366
155 1HG2 ILE 18 HG23 ILE 18 -6.338 -4.890 -4.629
156 2HG2 ILE 18 HG22 ILE 18 -6.499 -3.134 -4.610
157 3HG2 ILE 18 HG21 ILE 18 -5.402 -3.933 -3.483
158 1HD1 ILE 18 HD12 ILE 18 -8.238 -4.312 -5.308
159 2HD1 ILE 18 HD11 ILE 18 -9.961 -4.173 -4.966
160 3HD1 ILE 18 HD13 ILE 18 -9.050 -2.758 -5.491
161 H PHE 19 HN PHE 19 -5.834 -6.206 -1.395
162 HA PHE 19 HA PHE 19 -7.361 -6.730 1.105
163 1HB PHE 19 HB2 PHE 19 -5.740 -8.431 0.799
164 2HB PHE 19 HB1 PHE 19 -4.542 -7.301 0.171
165 HD1 PHE 19 HD2 PHE 19 -6.504 -8.031 3.290
166 HD2 PHE 19 HD1 PHE 19 -2.870 -6.496 1.589
167 HE1 PHE 19 HE2 PHE 19 -5.550 -7.769 5.564
168 HE2 PHE 19 HE1 PHE 19 -1.917 -6.236 3.861
169 HZ PHE 19 HZ PHE 19 -3.252 -6.870 5.850
170 H ILE 20 HN ILE 20 -7.852 -4.323 0.898
171 HA ILE 20 HA ILE 20 -5.673 -2.494 1.353
172 HB ILE 20 HB ILE 20 -7.985 -2.216 0.116
173 1HG1 ILE 20 HG12 ILE 20 -7.428 -0.056 -0.146
174 2HG1 ILE 20 HG11 ILE 20 -7.578 0.273 1.575
175 1HG2 ILE 20 HG22 ILE 20 -9.159 -2.690 2.365
176 2HG2 ILE 20 HG21 ILE 20 -8.763 -1.015 2.751
177 3HG2 ILE 20 HG23 ILE 20 -9.780 -1.382 1.359
178 1HD1 ILE 20 HD13 ILE 20 -5.196 -1.098 0.309
179 2HD1 ILE 20 HD12 ILE 20 -5.263 0.618 0.691
180 3HD1 ILE 20 HD11 ILE 20 -5.346 -0.576 1.988
181 H THR 21 HN THR 21 -6.869 -0.667 3.071
182 HA THR 21 HA THR 21 -7.147 -2.074 5.649
183 HB THR 21 HB THR 21 -5.608 0.054 6.315
184 HG1 THR 21 HG1 THR 21 -5.060 0.602 4.260
185 1HG2 THR 21 HG23 THR 21 -5.409 -2.771 6.283
186 2HG2 THR 21 HG22 THR 21 -3.867 -2.139 5.707
187 3HG2 THR 21 HG21 THR 21 -4.491 -1.643 7.277
188 H ARG 22 HN ARG 22 -8.718 -1.132 6.875
189 HA ARG 22 HA ARG 22 -9.496 1.665 6.275
190 1HB ARG 22 HB2 ARG 22 -10.929 -0.405 5.291
191 2HB ARG 22 HB1 ARG 22 -11.678 -0.253 6.884
192 1HG ARG 22 HG2 ARG 22 -12.388 1.920 6.489
193 2HG ARG 22 HG1 ARG 22 -11.176 2.194 5.239
194 1HD ARG 22 HD2 ARG 22 -13.415 1.955 4.235
195 2HD ARG 22 HD1 ARG 22 -12.368 0.622 3.746
196 HE ARG 22 HE ARG 22 -13.650 -0.359 5.988
197 1HH1 ARG 22 HH11 ARG 22 -15.478 1.794 4.371
198 2HH1 ARG 22 HH12 ARG 22 -16.611 0.670 3.698
199 1HH2 ARG 22 HH21 ARG 22 -14.744 -2.127 4.546
200 2HH2 ARG 22 HH22 ARG 22 -16.196 -1.549 3.798
201 H ARG 23 HN ARG 23 -11.412 2.124 8.048
202 HA ARG 23 HA ARG 23 -10.069 2.058 10.592
203 1HB ARG 23 HB2 ARG 23 -12.335 3.007 11.337
204 2HB ARG 23 HB1 ARG 23 -11.434 3.951 10.161
205 1HG ARG 23 HG2 ARG 23 -12.939 3.535 8.489
206 2HG ARG 23 HG1 ARG 23 -13.265 1.896 9.054
207 1HD ARG 23 HD2 ARG 23 -14.431 3.067 11.065
208 2HD ARG 23 HD1 ARG 23 -14.445 4.491 10.025
209 HE ARG 23 HE ARG 23 -15.499 2.487 8.424
210 1HH1 ARG 23 HH11 ARG 23 -16.213 4.153 11.345
211 2HH1 ARG 23 HH12 ARG 23 -17.870 3.652 11.389
212 1HH2 ARG 23 HH21 ARG 23 -17.626 1.671 8.553
213 2HH2 ARG 23 HH22 ARG 23 -18.670 2.248 9.809
214 H ALA 24 HN ALA 24 -9.869 -0.053 11.394
215 HA ALA 24 HA ALA 24 -11.628 -2.191 11.222
216 1HB ALA 24 HB2 ALA 24 -9.746 -1.279 13.360
217 2HB ALA 24 HB1 ALA 24 -10.840 -2.616 13.716
218 3HB ALA 24 HB3 ALA 24 -9.694 -2.744 12.380
219 H ALA 25 HN ALA 25 -11.551 -0.639 14.340
220 HA ALA 25 HA ALA 25 -14.507 -0.247 14.202
221 1HB ALA 25 HB3 ALA 25 -12.930 -1.483 16.481
222 2HB ALA 25 HB2 ALA 25 -14.631 -1.028 16.575
223 3HB ALA 25 HB1 ALA 25 -14.119 -2.298 15.465
224 H ASP 26 HN ASP 26 -12.916 1.878 13.705
225 HA ASP 26 HA ASP 26 -13.265 3.502 16.159
226 1HB ASP 26 HB2 ASP 26 -10.862 2.599 15.994
227 2HB ASP 26 HB1 ASP 26 -10.682 3.663 14.599
228 H ALA 27 HN ALA 27 -11.409 5.412 14.295
229 HA ALA 27 HA ALA 27 -11.846 7.070 12.701
230 1HB ALA 27 HB3 ALA 27 -12.683 4.958 11.422
231 2HB ALA 27 HB2 ALA 27 -14.296 5.539 11.834
232 3HB ALA 27 HB1 ALA 27 -13.218 6.541 10.862
233 H HIS 28 HN HIS 28 -13.289 8.910 12.462
234 HA HIS 28 HA HIS 28 -15.248 9.071 14.702
235 1HB HIS 28 HB2 HIS 28 -13.341 10.745 14.530
236 2HB HIS 28 HB1 HIS 28 -14.120 11.359 13.071
237 HD1 HIS 28 HD1 HIS 28 -15.300 10.495 16.609
238 HD2 HIS 28 HD2 HIS 28 -15.792 13.448 13.707
239 HE1 HIS 28 HE1 HIS 28 -16.879 12.212 17.595
240 H MET 29 HN MET 29 -15.006 10.698 11.526
241 HA MET 29 HA MET 29 -17.873 9.957 11.088
242 1HB MET 29 HB2 MET 29 -18.045 12.117 9.816
243 2HB MET 29 HB1 MET 29 -17.722 12.341 11.536
244 1HG MET 29 HG2 MET 29 -15.865 13.499 11.016
245 2HG MET 29 HG1 MET 29 -15.205 12.056 10.245
246 1HE MET 29 HE1 MET 29 -17.294 14.939 10.252
247 2HE MET 29 HE3 MET 29 -16.915 15.815 8.763
248 3HE MET 29 HE2 MET 29 -18.291 14.716 8.817
249 H ALA 30 HN ALA 30 -18.458 9.512 8.885
250 HA ALA 30 HA ALA 30 -18.076 8.566 6.772
251 1HB ALA 30 HB1 ALA 30 -15.725 10.475 6.916
252 2HB ALA 30 HB3 ALA 30 -16.220 9.618 5.456
253 3HB ALA 30 HB2 ALA 30 -17.301 10.799 6.195
254 H ASN 31 HN ASN 31 -16.266 7.358 5.472
255 HA ASN 31 HA ASN 31 -14.764 5.694 7.441
256 1HB ASN 31 HB2 ASN 31 -15.508 5.084 4.563
257 2HB ASN 31 HB1 ASN 31 -14.774 3.962 5.709
258 1HD2 ASN 31 HD22 ASN 31 -17.980 4.382 7.744
259 2HD2 ASN 31 HD21 ASN 31 -16.412 4.982 7.994
260 H LYS 32 HN LYS 32 -12.526 5.329 7.131
261 HA LYS 32 HA LYS 32 -11.253 6.798 4.870
262 1HB LYS 32 HB2 LYS 32 -9.600 7.778 6.343
263 2HB LYS 32 HB1 LYS 32 -11.199 8.192 6.961
264 1HG LYS 32 HG2 LYS 32 -10.220 7.453 8.917
265 2HG LYS 32 HG1 LYS 32 -10.864 5.923 8.319
266 1HD LYS 32 HD2 LYS 32 -8.766 5.106 8.360
267 2HD LYS 32 HD1 LYS 32 -8.366 6.225 7.057
268 1HE LYS 32 HE2 LYS 32 -6.815 6.868 8.664
269 2HE LYS 32 HE1 LYS 32 -8.148 7.963 9.036
270 1HZ LYS 32 HZ2 LYS 32 -7.658 5.346 10.353
271 2HZ LYS 32 HZ1 LYS 32 -7.289 6.865 11.019
272 3HZ LYS 32 HZ3 LYS 32 -8.905 6.438 10.729
273 H LEU 33 HN LEU 33 -9.436 5.781 4.038
274 HA LEU 33 HA LEU 33 -8.413 3.378 5.475
275 1HB LEU 33 HB2 LEU 33 -8.292 2.275 3.162
276 2HB LEU 33 HB1 LEU 33 -9.868 2.378 3.928
277 HG LEU 33 HG LEU 33 -9.776 4.754 2.573
278 1HD1 LEU 33 HD12 LEU 33 -7.778 3.014 1.432
279 2HD1 LEU 33 HD11 LEU 33 -9.068 3.296 0.263
280 3HD1 LEU 33 HD13 LEU 33 -8.203 4.662 0.969
281 1HD2 LEU 33 HD23 LEU 33 -10.998 2.095 2.229
282 2HD2 LEU 33 HD22 LEU 33 -11.752 3.689 2.202
283 3HD2 LEU 33 HD21 LEU 33 -10.954 3.064 0.758
284 H GLU 34 HN GLU 34 -6.459 2.538 3.973
285 HA GLU 34 HA GLU 34 -4.957 4.676 2.698
286 1HB GLU 34 HB2 GLU 34 -4.731 4.721 5.388
287 2HB GLU 34 HB1 GLU 34 -3.467 3.562 5.000
288 1HG GLU 34 HG2 GLU 34 -3.151 5.593 3.105
289 2HG GLU 34 HG1 GLU 34 -3.501 6.446 4.608
290 H PHE 35 HN PHE 35 -2.410 3.496 3.209
291 HA PHE 35 HA PHE 35 -2.761 0.877 1.798
292 1HB PHE 35 HB2 PHE 35 -0.534 2.924 1.544
293 2HB PHE 35 HB1 PHE 35 -0.535 1.341 0.763
294 HD1 PHE 35 HD2 PHE 35 -2.408 0.768 -0.853
295 HD2 PHE 35 HD1 PHE 35 -1.737 4.746 0.618
296 HE1 PHE 35 HE2 PHE 35 -3.774 1.684 -2.708
297 HE2 PHE 35 HE1 PHE 35 -3.103 5.663 -1.238
298 HZ PHE 35 HZ PHE 35 -4.122 4.131 -2.900
299 HA PRO 36 HA PRO 36 -0.731 -1.125 5.099
300 1HB PRO 36 HB2 PRO 36 0.926 -2.731 3.358
301 2HB PRO 36 HB1 PRO 36 -0.526 -3.218 4.242
302 1HG PRO 36 HG2 PRO 36 -0.275 -2.784 1.411
303 2HG PRO 36 HG1 PRO 36 -1.734 -3.219 2.310
304 1HD PRO 36 HD2 PRO 36 -1.101 -0.682 1.094
305 2HD PRO 36 HD1 PRO 36 -2.564 -1.121 2.000
306 H GLY 37 HN GLY 37 1.992 -2.176 4.836
307 1HA GLY 37 HA2 GLY 37 4.124 -0.946 3.987
308 2HA GLY 37 HA1 GLY 37 3.448 0.426 4.860
309 H GLY 38 HN GLY 38 5.914 -0.408 5.614
310 1HA GLY 38 HA2 GLY 38 5.483 -1.135 8.393
311 2HA GLY 38 HA1 GLY 38 6.286 -2.418 7.482
312 H LYS 39 HN LYS 39 8.093 -1.384 5.949
313 HA LYS 39 HA LYS 39 9.452 0.972 6.712
314 1HB LYS 39 HB2 LYS 39 9.654 -0.471 8.862
315 2HB LYS 39 HB1 LYS 39 10.802 -1.437 7.934
316 1HG LYS 39 HG2 LYS 39 12.403 0.176 7.998
317 2HG LYS 39 HG1 LYS 39 11.236 1.479 7.768
318 1HD LYS 39 HD2 LYS 39 11.079 1.864 9.991
319 2HD LYS 39 HD1 LYS 39 10.912 0.145 10.350
320 1HE LYS 39 HE2 LYS 39 13.581 0.488 9.508
321 2HE LYS 39 HE1 LYS 39 13.249 1.833 10.599
322 1HZ LYS 39 HZ2 LYS 39 12.414 0.248 12.231
323 2HZ LYS 39 HZ1 LYS 39 12.773 -1.040 11.183
324 3HZ LYS 39 HZ3 LYS 39 14.027 -0.091 11.818
325 H ILE 40 HN ILE 40 11.474 1.191 5.564
326 HA ILE 40 HA ILE 40 12.055 -1.054 3.675
327 HB ILE 40 HB ILE 40 10.741 0.812 2.604
328 1HG1 ILE 40 HG12 ILE 40 13.599 0.388 1.671
329 2HG1 ILE 40 HG11 ILE 40 12.199 -0.592 1.233
330 1HG2 ILE 40 HG21 ILE 40 12.570 2.391 4.066
331 2HG2 ILE 40 HG23 ILE 40 12.973 2.630 2.366
332 3HG2 ILE 40 HG22 ILE 40 11.338 2.954 2.937
333 1HD1 ILE 40 HD11 ILE 40 11.570 2.146 0.699
334 2HD1 ILE 40 HD13 ILE 40 13.137 1.792 -0.027
335 3HD1 ILE 40 HD12 ILE 40 11.728 0.821 -0.452
336 H GLU 41 HN GLU 41 13.546 -0.843 5.951
337 HA GLU 41 HA GLU 41 16.050 0.510 5.022
338 1HB GLU 41 HB2 GLU 41 15.356 -0.149 7.894
339 2HB GLU 41 HB1 GLU 41 16.643 0.906 7.308
340 1HG GLU 41 HG2 GLU 41 14.391 2.005 6.147
341 2HG GLU 41 HG1 GLU 41 13.800 1.493 7.727
342 H MET 42 HN MET 42 14.698 -2.424 5.075
343 HA MET 42 HA MET 42 17.172 -3.806 6.021
344 1HB MET 42 HB2 MET 42 14.622 -4.336 6.753
345 2HB MET 42 HB1 MET 42 14.752 -5.389 5.343
346 1HG MET 42 HG2 MET 42 15.673 -6.849 6.835
347 2HG MET 42 HG1 MET 42 17.132 -5.897 6.560
348 1HE MET 42 HE2 MET 42 13.819 -5.596 8.027
349 2HE MET 42 HE1 MET 42 14.173 -6.491 9.503
350 3HE MET 42 HE3 MET 42 13.985 -4.733 9.555
351 H GLY 43 HN GLY 43 15.747 -2.710 3.221
352 1HA GLY 43 HA2 GLY 43 16.911 -4.953 1.619
353 2HA GLY 43 HA1 GLY 43 15.593 -3.927 1.052
354 H GLU 44 HN GLU 44 17.703 -4.083 -0.619
355 HA GLU 44 HA GLU 44 19.304 -1.615 -0.093
356 1HB GLU 44 HB2 GLU 44 20.175 -4.154 -0.768
357 2HB GLU 44 HB1 GLU 44 20.176 -3.312 -2.319
358 1HG GLU 44 HG2 GLU 44 21.267 -1.403 -0.715
359 2HG GLU 44 HG1 GLU 44 21.861 -2.867 0.071
360 H THR 45 HN THR 45 16.810 -2.932 -2.031
361 HA THR 45 HA THR 45 16.909 -0.512 -3.729
362 HB THR 45 HB THR 45 16.113 -2.708 -5.388
363 HG1 THR 45 HG1 THR 45 17.389 -4.005 -4.080
364 1HG2 THR 45 HG21 THR 45 17.539 -0.316 -5.532
365 2HG2 THR 45 HG23 THR 45 18.733 -1.553 -5.922
366 3HG2 THR 45 HG22 THR 45 17.246 -1.435 -6.864
367 HA PRO 46 HA PRO 46 12.560 -0.572 -3.505
368 1HB PRO 46 HB2 PRO 46 11.834 -0.517 -6.248
369 2HB PRO 46 HB1 PRO 46 12.137 0.879 -5.205
370 1HG PRO 46 HG2 PRO 46 13.777 -0.094 -7.384
371 2HG PRO 46 HG1 PRO 46 14.051 1.326 -6.369
372 1HD PRO 46 HD2 PRO 46 15.410 -1.229 -6.283
373 2HD PRO 46 HD1 PRO 46 15.771 0.244 -5.359
374 H GLU 47 HN GLU 47 14.082 -3.242 -4.782
375 HA GLU 47 HA GLU 47 11.492 -4.724 -5.000
376 1HB GLU 47 HB2 GLU 47 13.686 -4.523 -6.870
377 2HB GLU 47 HB1 GLU 47 13.526 -6.185 -6.313
378 1HG GLU 47 HG2 GLU 47 11.258 -6.321 -7.027
379 2HG GLU 47 HG1 GLU 47 11.144 -4.574 -7.241
380 H GLN 48 HN GLN 48 14.958 -5.073 -4.374
381 HA GLN 48 HA GLN 48 15.006 -7.495 -3.056
382 1HB GLN 48 HB2 GLN 48 16.498 -4.910 -2.714
383 2HB GLN 48 HB1 GLN 48 16.864 -6.306 -1.730
384 1HG GLN 48 HG2 GLN 48 16.634 -6.862 -4.603
385 2HG GLN 48 HG1 GLN 48 17.985 -5.818 -4.159
386 1HE2 GLN 48 HE22 GLN 48 19.407 -8.433 -1.981
387 2HE2 GLN 48 HE21 GLN 48 19.023 -6.783 -1.879
388 H ALA 49 HN ALA 49 14.061 -4.361 -2.012
389 HA ALA 49 HA ALA 49 13.811 -4.943 0.764
390 1HB ALA 49 HB2 ALA 49 13.944 -2.640 -0.060
391 2HB ALA 49 HB1 ALA 49 12.387 -2.833 -0.867
392 3HB ALA 49 HB3 ALA 49 12.478 -2.867 0.894
393 H VAL 50 HN VAL 50 11.166 -4.505 -1.611
394 HA VAL 50 HA VAL 50 9.216 -5.698 0.196
395 HB VAL 50 HB VAL 50 9.117 -4.023 -1.965
396 1HG1 VAL 50 HG12 VAL 50 8.048 -6.709 -2.850
397 2HG1 VAL 50 HG11 VAL 50 7.678 -5.182 -3.652
398 3HG1 VAL 50 HG13 VAL 50 9.336 -5.780 -3.616
399 1HG2 VAL 50 HG22 VAL 50 7.398 -4.944 -0.004
400 2HG2 VAL 50 HG21 VAL 50 7.035 -3.675 -1.174
401 3HG2 VAL 50 HG23 VAL 50 6.552 -5.339 -1.501
402 H VAL 51 HN VAL 51 10.743 -6.704 -2.818
403 HA VAL 51 HA VAL 51 9.684 -9.162 -3.366
404 HB VAL 51 HB VAL 51 11.742 -7.946 -4.401
405 1HG1 VAL 51 HG13 VAL 51 13.145 -8.011 -2.359
406 2HG1 VAL 51 HG12 VAL 51 13.133 -9.770 -2.416
407 3HG1 VAL 51 HG11 VAL 51 13.917 -8.852 -3.699
408 1HG2 VAL 51 HG22 VAL 51 10.761 -10.111 -5.161
409 2HG2 VAL 51 HG21 VAL 51 12.500 -9.980 -5.429
410 3HG2 VAL 51 HG23 VAL 51 11.887 -10.941 -4.084
411 H ARG 52 HN ARG 52 12.198 -8.563 -0.904
412 HA ARG 52 HA ARG 52 12.145 -11.244 0.108
413 1HB ARG 52 HB2 ARG 52 14.135 -10.429 0.757
414 2HB ARG 52 HB1 ARG 52 13.660 -8.803 0.355
415 1HG ARG 52 HG2 ARG 52 12.539 -8.579 2.531
416 2HG ARG 52 HG1 ARG 52 13.071 -10.202 2.971
417 1HD ARG 52 HD2 ARG 52 14.898 -7.881 2.281
418 2HD ARG 52 HD1 ARG 52 14.591 -8.493 3.906
419 HE ARG 52 HE ARG 52 15.466 -10.724 2.514
420 1HH1 ARG 52 HH21 ARG 52 17.033 -8.808 0.826
421 2HH1 ARG 52 HH22 ARG 52 18.518 -8.680 1.709
422 1HH2 ARG 52 HH11 ARG 52 17.206 -10.006 4.629
423 2HH2 ARG 52 HH12 ARG 52 18.616 -9.357 3.861
424 H GLU 53 HN GLU 53 10.588 -8.155 0.868
425 HA GLU 53 HA GLU 53 9.519 -8.976 3.421
426 1HB GLU 53 HB2 GLU 53 8.526 -6.920 1.420
427 2HB GLU 53 HB1 GLU 53 7.899 -7.104 3.058
428 1HG GLU 53 HG2 GLU 53 10.829 -6.912 2.944
429 2HG GLU 53 HG1 GLU 53 10.005 -5.469 2.351
430 H LEU 54 HN LEU 54 8.911 -9.972 0.253
431 HA LEU 54 HA LEU 54 6.114 -10.444 0.253
432 1HB LEU 54 HB2 LEU 54 8.056 -10.797 -1.572
433 2HB LEU 54 HB1 LEU 54 7.929 -12.458 -0.994
434 HG LEU 54 HG LEU 54 6.427 -12.066 -2.912
435 1HD1 LEU 54 HD12 LEU 54 5.816 -13.624 -1.008
436 2HD1 LEU 54 HD11 LEU 54 4.818 -12.322 -0.358
437 3HD1 LEU 54 HD13 LEU 54 4.444 -13.017 -1.936
438 1HD2 LEU 54 HD21 LEU 54 6.117 -9.569 -2.010
439 2HD2 LEU 54 HD23 LEU 54 4.881 -10.351 -2.996
440 3HD2 LEU 54 HD22 LEU 54 4.700 -10.287 -1.243
441 H GLN 55 HN GLN 55 8.694 -12.844 0.818
442 HA GLN 55 HA GLN 55 6.798 -14.581 2.235
443 1HB GLN 55 HB2 GLN 55 9.744 -15.100 2.301
444 2HB GLN 55 HB1 GLN 55 8.412 -16.231 2.067
445 1HG GLN 55 HG2 GLN 55 8.155 -14.658 -0.153
446 2HG GLN 55 HG1 GLN 55 9.905 -14.642 0.073
447 1HE2 GLN 55 HE22 GLN 55 9.892 -18.388 -0.047
448 2HE2 GLN 55 HE21 GLN 55 10.327 -17.235 1.120
449 H GLU 56 HN GLU 56 9.224 -12.204 3.037
450 HA GLU 56 HA GLU 56 9.428 -13.065 5.833
451 1HB GLU 56 HB2 GLU 56 10.338 -10.492 4.513
452 2HB GLU 56 HB1 GLU 56 10.816 -11.065 6.112
453 1HG GLU 56 HG2 GLU 56 11.211 -12.902 3.786
454 2HG GLU 56 HG1 GLU 56 12.328 -11.552 3.975
455 H GLU 57 HN GLU 57 6.710 -12.412 4.843
456 HA GLU 57 HA GLU 57 6.019 -10.478 6.968
457 1HB GLU 57 HB2 GLU 57 5.362 -10.137 4.035
458 2HB GLU 57 HB1 GLU 57 4.414 -9.364 5.305
459 1HG GLU 57 HG2 GLU 57 7.411 -9.082 5.229
460 2HG GLU 57 HG1 GLU 57 6.373 -8.014 4.285
461 H VAL 58 HN VAL 58 4.319 -12.040 4.225
462 HA VAL 58 HA VAL 58 2.506 -13.286 6.236
463 HB VAL 58 HB VAL 58 1.837 -11.556 4.206
464 1HG1 VAL 58 HG11 VAL 58 2.375 -13.251 2.498
465 2HG1 VAL 58 HG13 VAL 58 1.171 -14.317 3.218
466 3HG1 VAL 58 HG12 VAL 58 0.676 -12.790 2.494
467 1HG2 VAL 58 HG21 VAL 58 0.526 -12.280 6.175
468 2HG2 VAL 58 HG23 VAL 58 -0.418 -12.152 4.693
469 3HG2 VAL 58 HG22 VAL 58 0.085 -13.735 5.280
470 H GLY 59 HN GLY 59 4.062 -13.755 3.070
471 1HA GLY 59 HA2 GLY 59 5.312 -15.735 2.554
472 2HA GLY 59 HA1 GLY 59 4.358 -16.607 3.745
473 H ILE 60 HN ILE 60 3.517 -14.656 0.853
474 HA ILE 60 HA ILE 60 1.576 -16.782 0.107
475 HB ILE 60 HB ILE 60 1.569 -14.860 -1.940
476 1HG1 ILE 60 HG12 ILE 60 1.875 -13.565 0.773
477 2HG1 ILE 60 HG11 ILE 60 2.916 -13.316 -0.606
478 1HG2 ILE 60 HG21 ILE 60 -0.126 -15.366 0.506
479 2HG2 ILE 60 HG23 ILE 60 -0.565 -14.127 -0.670
480 3HG2 ILE 60 HG22 ILE 60 -0.455 -15.814 -1.168
481 1HD1 ILE 60 HD11 ILE 60 0.877 -12.466 -1.853
482 2HD1 ILE 60 HD13 ILE 60 0.021 -12.498 -0.313
483 3HD1 ILE 60 HD12 ILE 60 1.417 -11.441 -0.523
484 H THR 61 HN THR 61 1.686 -17.451 -2.334
485 HA THR 61 HA THR 61 4.577 -17.674 -3.039
486 HB THR 61 HB THR 61 2.422 -19.737 -2.971
487 HG1 THR 61 HG1 THR 61 4.350 -19.327 -1.529
488 1HG2 THR 61 HG22 THR 61 4.607 -19.541 -5.032
489 2HG2 THR 61 HG21 THR 61 4.089 -21.121 -4.443
490 3HG2 THR 61 HG23 THR 61 2.934 -20.056 -5.244
491 HA PRO 62 HA PRO 62 2.538 -17.375 -7.303
492 1HB PRO 62 HB2 PRO 62 -0.222 -17.399 -7.465
493 2HB PRO 62 HB1 PRO 62 0.798 -18.838 -7.626
494 1HG PRO 62 HG2 PRO 62 -0.911 -18.002 -5.358
495 2HG PRO 62 HG1 PRO 62 -0.338 -19.621 -5.785
496 1HD PRO 62 HD2 PRO 62 0.674 -17.979 -3.716
497 2HD PRO 62 HD1 PRO 62 1.421 -19.454 -4.357
498 H GLN 63 HN GLN 63 2.635 -15.291 -5.147
499 HA GLN 63 HA GLN 63 0.582 -13.348 -5.748
500 1HB GLN 63 HB2 GLN 63 1.569 -13.527 -3.477
501 2HB GLN 63 HB1 GLN 63 3.125 -13.026 -4.145
502 1HG GLN 63 HG2 GLN 63 1.996 -10.941 -5.002
503 2HG GLN 63 HG1 GLN 63 0.555 -11.421 -4.106
504 1HE2 GLN 63 HE22 GLN 63 2.208 -9.270 -1.692
505 2HE2 GLN 63 HE21 GLN 63 1.191 -9.179 -3.048
506 H HIS 64 HN HIS 64 1.343 -13.619 -8.108
507 HA HIS 64 HA HIS 64 3.756 -12.543 -9.097
508 1HB HIS 64 HB2 HIS 64 1.473 -13.464 -10.273
509 2HB HIS 64 HB1 HIS 64 1.307 -11.732 -10.564
510 HD1 HIS 64 HD1 HIS 64 1.848 -11.915 -13.085
511 HD2 HIS 64 HD2 HIS 64 4.880 -13.380 -10.628
512 HE1 HIS 64 HE1 HIS 64 3.871 -12.248 -14.568
513 H PHE 65 HN PHE 65 4.427 -10.349 -9.500
514 HA PHE 65 HA PHE 65 2.540 -8.205 -8.795
515 1HB PHE 65 HB2 PHE 65 4.395 -7.280 -7.207
516 2HB PHE 65 HB1 PHE 65 3.285 -8.509 -6.612
517 HD1 PHE 65 HD2 PHE 65 6.398 -8.491 -8.709
518 HD2 PHE 65 HD1 PHE 65 4.330 -10.159 -5.334
519 HE1 PHE 65 HE2 PHE 65 8.318 -10.002 -8.281
520 HE2 PHE 65 HE1 PHE 65 6.251 -11.670 -4.905
521 HZ PHE 65 HZ PHE 65 8.244 -11.591 -6.378
522 H SER 66 HN SER 66 3.645 -6.052 -8.944
523 HA SER 66 HA SER 66 6.069 -5.842 -10.553
524 1HB SER 66 HB2 SER 66 3.650 -6.191 -11.943
525 2HB SER 66 HB1 SER 66 3.960 -4.459 -12.003
526 HG SER 66 HG SER 66 5.389 -6.588 -13.078
527 H LEU 67 HN LEU 67 6.050 -3.271 -11.309
528 HA LEU 67 HA LEU 67 5.261 -1.856 -8.804
529 1HB LEU 67 HB2 LEU 67 7.663 -1.747 -9.324
530 2HB LEU 67 HB1 LEU 67 7.292 -1.043 -10.900
531 HG LEU 67 HG LEU 67 6.056 0.806 -9.663
532 1HD1 LEU 67 HD11 LEU 67 6.519 -0.912 -7.478
533 2HD1 LEU 67 HD13 LEU 67 7.573 0.478 -7.214
534 3HD1 LEU 67 HD12 LEU 67 5.838 0.714 -7.424
535 1HD2 LEU 67 HD23 LEU 67 8.928 0.333 -9.920
536 2HD2 LEU 67 HD22 LEU 67 8.007 1.804 -10.234
537 3HD2 LEU 67 HD21 LEU 67 8.564 1.445 -8.600
538 H PHE 68 HN PHE 68 3.662 -0.418 -8.904
539 HA PHE 68 HA PHE 68 2.446 0.235 -11.503
540 1HB PHE 68 HB2 PHE 68 0.661 0.044 -10.135
541 2HB PHE 68 HB1 PHE 68 1.644 0.131 -8.697
542 HD1 PHE 68 HD2 PHE 68 0.689 2.514 -11.458
543 HD2 PHE 68 HD1 PHE 68 0.969 1.773 -7.241
544 HE1 PHE 68 HE2 PHE 68 -0.200 4.786 -10.999
545 HE2 PHE 68 HE1 PHE 68 0.082 4.041 -6.778
546 HZ PHE 68 HZ PHE 68 -0.507 5.546 -8.655
547 H GLU 69 HN GLU 69 3.151 2.236 -8.679
548 HA GLU 69 HA GLU 69 4.968 4.009 -10.036
549 1HB GLU 69 HB2 GLU 69 2.302 4.405 -10.759
550 2HB GLU 69 HB1 GLU 69 2.616 5.655 -9.554
551 1HG GLU 69 HG2 GLU 69 4.873 5.409 -11.345
552 2HG GLU 69 HG1 GLU 69 3.392 5.677 -12.266
553 H LYS 70 HN LYS 70 6.188 4.634 -8.334
554 HA LYS 70 HA LYS 70 4.992 4.837 -5.644
555 1HB LYS 70 HB2 LYS 70 7.090 3.801 -5.538
556 2HB LYS 70 HB1 LYS 70 7.782 4.854 -6.769
557 1HG LYS 70 HG2 LYS 70 6.867 6.293 -4.372
558 2HG LYS 70 HG1 LYS 70 8.167 5.142 -4.056
559 1HD LYS 70 HD2 LYS 70 8.279 7.127 -6.336
560 2HD LYS 70 HD1 LYS 70 8.908 7.494 -4.729
561 1HE LYS 70 HE2 LYS 70 10.097 5.122 -5.075
562 2HE LYS 70 HE1 LYS 70 9.928 5.572 -6.773
563 1HZ LYS 70 HZ1 LYS 70 10.851 7.732 -5.130
564 2HZ LYS 70 HZ3 LYS 70 11.901 6.402 -5.097
565 3HZ LYS 70 HZ2 LYS 70 11.491 7.122 -6.581
566 H LEU 71 HN LEU 71 4.642 6.780 -4.572
567 HA LEU 71 HA LEU 71 4.936 9.238 -6.213
568 1HB LEU 71 HB2 LEU 71 3.544 10.211 -4.251
569 2HB LEU 71 HB1 LEU 71 2.750 9.099 -5.361
570 HG LEU 71 HG LEU 71 2.890 7.290 -3.814
571 1HD1 LEU 71 HD11 LEU 71 4.702 9.063 -2.149
572 2HD1 LEU 71 HD13 LEU 71 4.136 7.460 -1.683
573 3HD1 LEU 71 HD12 LEU 71 5.211 7.647 -3.067
574 1HD2 LEU 71 HD21 LEU 71 1.512 9.584 -3.229
575 2HD2 LEU 71 HD23 LEU 71 1.352 8.074 -2.333
576 3HD2 LEU 71 HD22 LEU 71 2.429 9.339 -1.742
577 H GLU 72 HN GLU 72 5.108 11.210 -4.393
578 HA GLU 72 HA GLU 72 7.258 10.690 -2.458
579 1HB GLU 72 HB2 GLU 72 7.771 11.826 -5.116
580 2HB GLU 72 HB1 GLU 72 8.311 12.876 -3.807
581 1HG GLU 72 HG2 GLU 72 9.546 10.978 -2.805
582 2HG GLU 72 HG1 GLU 72 9.031 9.950 -4.143
583 H TYR 73 HN TYR 73 7.097 12.194 -0.778
584 HA TYR 73 HA TYR 73 5.361 14.573 -1.292
585 1HB TYR 73 HB2 TYR 73 4.492 12.416 0.110
586 2HB TYR 73 HB1 TYR 73 5.220 13.365 1.406
587 HD1 TYR 73 HD1 TYR 73 3.524 14.486 -1.730
588 HD2 TYR 73 HD2 TYR 73 3.424 14.358 2.561
589 HE1 TYR 73 HE1 TYR 73 1.559 15.997 -1.731
590 HE2 TYR 73 HE2 TYR 73 1.458 15.870 2.560
591 HH TYR 73 HH TYR 73 0.005 16.992 1.323
592 H GLU 74 HN GLU 74 5.530 16.104 0.721
593 HA GLU 74 HA GLU 74 8.114 16.063 2.099
594 1HB GLU 74 HB2 GLU 74 8.407 17.052 -0.315
595 2HB GLU 74 HB1 GLU 74 7.606 18.468 0.366
596 1HG GLU 74 HG2 GLU 74 9.434 17.910 2.321
597 2HG GLU 74 HG1 GLU 74 10.316 17.413 0.876
598 H PHE 75 HN PHE 75 7.733 16.927 4.074
599 HA PHE 75 HA PHE 75 5.233 18.427 4.524
600 1HB PHE 75 HB2 PHE 75 6.926 16.690 6.050
601 2HB PHE 75 HB1 PHE 75 6.796 18.228 6.901
602 HD1 PHE 75 HD1 PHE 75 4.231 16.810 4.622
603 HD2 PHE 75 HD2 PHE 75 5.358 17.536 8.703
604 HE1 PHE 75 HE1 PHE 75 1.945 16.195 5.363
605 HE2 PHE 75 HE2 PHE 75 3.073 16.923 9.443
606 HZ PHE 75 HZ PHE 75 1.366 16.252 7.775
607 HA PRO 76 HA PRO 76 6.756 22.475 5.041
608 1HB PRO 76 HB2 PRO 76 6.605 22.701 7.932
609 2HB PRO 76 HB1 PRO 76 5.554 23.433 6.712
610 1HG PRO 76 HG2 PRO 76 4.900 21.263 8.443
611 2HG PRO 76 HG1 PRO 76 3.927 21.883 7.102
612 1HD PRO 76 HD2 PRO 76 5.399 19.394 7.249
613 2HD PRO 76 HD1 PRO 76 4.340 19.964 5.944
614 H ASP 77 HN ASP 77 8.223 19.973 6.852
615 HA ASP 77 HA ASP 77 10.852 21.098 6.435
616 1HB ASP 77 HB2 ASP 77 11.503 21.332 8.785
617 2HB ASP 77 HB1 ASP 77 10.136 22.390 8.429
618 H ARG 78 HN ARG 78 9.052 18.485 6.382
619 HA ARG 78 HA ARG 78 11.177 16.715 7.441
620 1HB ARG 78 HB2 ARG 78 8.204 16.179 7.254
621 2HB ARG 78 HB1 ARG 78 9.417 15.148 7.971
622 1HG ARG 78 HG2 ARG 78 9.671 17.728 9.152
623 2HG ARG 78 HG1 ARG 78 7.972 17.261 9.213
624 1HD ARG 78 HD2 ARG 78 10.173 15.376 10.058
625 2HD ARG 78 HD1 ARG 78 9.441 16.517 11.183
626 HE ARG 78 HE ARG 78 7.282 15.196 10.015
627 1HH1 ARG 78 HH11 ARG 78 10.224 13.756 10.917
628 2HH1 ARG 78 HH12 ARG 78 9.505 12.580 11.965
629 1HH2 ARG 78 HH21 ARG 78 6.313 13.905 11.711
630 2HH2 ARG 78 HH22 ARG 78 7.295 12.662 12.412
631 H HIS 79 HN HIS 79 10.775 14.422 6.286
632 HA HIS 79 HA HIS 79 10.202 14.929 3.396
633 1HB HIS 79 HB2 HIS 79 12.387 13.067 4.333
634 2HB HIS 79 HB1 HIS 79 12.142 13.746 2.724
635 HD1 HIS 79 HD1 HIS 79 14.157 14.227 5.636
636 HD2 HIS 79 HD2 HIS 79 12.351 16.803 2.903
637 HE1 HIS 79 HE1 HIS 79 15.337 16.455 5.866
638 H ILE 80 HN ILE 80 8.395 13.731 3.000
639 HA ILE 80 HA ILE 80 8.160 11.065 4.326
640 HB ILE 80 HB ILE 80 6.089 12.886 3.069
641 1HG1 ILE 80 HG12 ILE 80 6.896 13.391 5.395
642 2HG1 ILE 80 HG11 ILE 80 5.184 12.972 5.326
643 1HG2 ILE 80 HG23 ILE 80 6.089 10.040 3.236
644 2HG2 ILE 80 HG22 ILE 80 4.953 10.641 4.443
645 3HG2 ILE 80 HG21 ILE 80 4.763 11.097 2.750
646 1HD1 ILE 80 HD12 ILE 80 6.520 10.520 5.619
647 2HD1 ILE 80 HD11 ILE 80 7.340 11.623 6.725
648 3HD1 ILE 80 HD13 ILE 80 5.599 11.374 6.858
649 H THR 81 HN THR 81 8.994 9.508 3.012
650 HA THR 81 HA THR 81 8.323 9.653 0.099
651 HB THR 81 HB THR 81 10.714 8.421 1.499
652 HG1 THR 81 HG1 THR 81 10.866 10.636 1.136
653 1HG2 THR 81 HG21 THR 81 9.796 8.265 -1.381
654 2HG2 THR 81 HG23 THR 81 11.439 7.887 -0.864
655 3HG2 THR 81 HG22 THR 81 10.086 6.922 -0.274
656 H LEU 82 HN LEU 82 7.413 7.797 -0.831
657 HA LEU 82 HA LEU 82 7.212 5.340 0.802
658 1HB LEU 82 HB2 LEU 82 5.180 7.204 0.955
659 2HB LEU 82 HB1 LEU 82 4.606 6.116 -0.309
660 HG LEU 82 HG LEU 82 5.657 4.420 1.657
661 1HD1 LEU 82 HD11 LEU 82 4.408 6.880 2.814
662 2HD1 LEU 82 HD13 LEU 82 4.032 5.326 3.562
663 3HD1 LEU 82 HD12 LEU 82 5.705 5.873 3.456
664 1HD2 LEU 82 HD23 LEU 82 3.637 4.077 0.243
665 2HD2 LEU 82 HD22 LEU 82 3.309 3.764 1.947
666 3HD2 LEU 82 HD21 LEU 82 2.779 5.276 1.210
667 H TRP 83 HN TRP 83 6.118 3.568 -0.519
668 HA TRP 83 HA TRP 83 6.567 4.020 -3.444
669 1HB TRP 83 HB2 TRP 83 6.962 1.315 -2.207
670 2HB TRP 83 HB1 TRP 83 7.691 1.992 -3.663
671 HD1 TRP 83 HD1 TRP 83 7.736 2.709 0.138
672 HE1 TRP 83 HE1 TRP 83 10.125 3.432 0.784
673 HE3 TRP 83 HE3 TRP 83 9.961 2.589 -4.452
674 HZ2 TRP 83 HZ2 TRP 83 12.651 3.896 -0.484
675 HZ3 TRP 83 HZ3 TRP 83 12.355 3.173 -4.707
676 HH2 TRP 83 HH2 TRP 83 13.702 3.825 -2.730
677 H PHE 84 HN PHE 84 5.216 2.711 -4.836
678 HA PHE 84 HA PHE 84 2.814 1.536 -3.494
679 1HB PHE 84 HB2 PHE 84 3.008 3.733 -5.494
680 2HB PHE 84 HB1 PHE 84 1.749 2.538 -5.772
681 HD1 PHE 84 HD1 PHE 84 3.160 4.135 -2.668
682 HD2 PHE 84 HD2 PHE 84 -0.303 3.322 -5.073
683 HE1 PHE 84 HE1 PHE 84 1.728 5.254 -0.983
684 HE2 PHE 84 HE2 PHE 84 -1.733 4.440 -3.391
685 HZ PHE 84 HZ PHE 84 -0.720 5.411 -1.349
686 H TRP 85 HN TRP 85 3.738 -0.623 -4.012
687 HA TRP 85 HA TRP 85 3.817 -1.092 -6.969
688 1HB TRP 85 HB2 TRP 85 5.428 -2.767 -6.690
689 2HB TRP 85 HB1 TRP 85 5.921 -1.538 -5.535
690 HD1 TRP 85 HD1 TRP 85 4.306 -2.070 -3.041
691 HE1 TRP 85 HE1 TRP 85 4.481 -4.283 -1.738
692 HE3 TRP 85 HE3 TRP 85 6.125 -5.117 -6.710
693 HZ2 TRP 85 HZ2 TRP 85 5.275 -6.993 -2.189
694 HZ3 TRP 85 HZ3 TRP 85 6.587 -7.505 -6.246
695 HH2 TRP 85 HH2 TRP 85 6.163 -8.447 -3.992
696 H LEU 86 HN LEU 86 1.840 -1.738 -7.535
697 HA LEU 86 HA LEU 86 0.137 -3.332 -5.798
698 1HB LEU 86 HB2 LEU 86 -0.087 -1.872 -8.334
699 2HB LEU 86 HB1 LEU 86 -1.014 -3.367 -8.305
700 HG LEU 86 HG LEU 86 -2.348 -1.461 -7.476
701 1HD1 LEU 86 HD13 LEU 86 -1.580 -3.456 -5.320
702 2HD1 LEU 86 HD12 LEU 86 -3.052 -2.489 -5.341
703 3HD1 LEU 86 HD11 LEU 86 -2.784 -3.714 -6.579
704 1HD2 LEU 86 HD22 LEU 86 -0.139 -0.414 -6.511
705 2HD2 LEU 86 HD21 LEU 86 -1.672 -0.123 -5.689
706 3HD2 LEU 86 HD23 LEU 86 -0.557 -1.342 -5.070
707 H VAL 87 HN VAL 87 -0.365 -5.523 -6.005
708 HA VAL 87 HA VAL 87 1.356 -7.038 -7.898
709 HB VAL 87 HB VAL 87 0.961 -8.924 -6.525
710 1HG1 VAL 87 HG13 VAL 87 2.163 -6.647 -5.579
711 2HG1 VAL 87 HG12 VAL 87 1.068 -7.081 -4.266
712 3HG1 VAL 87 HG11 VAL 87 2.274 -8.239 -4.829
713 1HG2 VAL 87 HG21 VAL 87 -1.440 -7.440 -5.789
714 2HG2 VAL 87 HG23 VAL 87 -1.151 -9.180 -5.775
715 3HG2 VAL 87 HG22 VAL 87 -0.638 -8.190 -4.410
716 H GLU 88 HN GLU 88 -0.062 -9.275 -8.427
717 HA GLU 88 HA GLU 88 -2.596 -8.236 -9.616
718 1HB GLU 88 HB2 GLU 88 -0.311 -9.606 -10.818
719 2HB GLU 88 HB1 GLU 88 -1.852 -10.377 -11.198
720 1HG GLU 88 HG2 GLU 88 -2.470 -8.680 -12.553
721 2HG GLU 88 HG1 GLU 88 -2.026 -7.469 -11.350
722 H ARG 89 HN ARG 89 -1.028 -11.286 -8.467
723 HA ARG 89 HA ARG 89 -3.552 -12.065 -7.239
724 1HB ARG 89 HB2 ARG 89 -3.878 -14.117 -8.575
725 2HB ARG 89 HB1 ARG 89 -4.021 -12.669 -9.572
726 1HG ARG 89 HG2 ARG 89 -1.276 -13.354 -9.561
727 2HG ARG 89 HG1 ARG 89 -2.161 -14.856 -9.826
728 1HD ARG 89 HD2 ARG 89 -3.340 -12.701 -11.363
729 2HD ARG 89 HD1 ARG 89 -1.623 -12.846 -11.731
730 HE ARG 89 HE ARG 89 -3.481 -14.530 -12.851
731 1HH1 ARG 89 HH21 ARG 89 -0.337 -14.753 -11.861
732 2HH1 ARG 89 HH22 ARG 89 -0.301 -16.476 -11.690
733 1HH2 ARG 89 HH11 ARG 89 -3.729 -16.850 -12.062
734 2HH2 ARG 89 HH12 ARG 89 -2.221 -17.663 -11.805
735 H TRP 90 HN TRP 90 -3.345 -13.864 -5.824
736 HA TRP 90 HA TRP 90 -0.730 -15.254 -5.656
737 1HB TRP 90 HB2 TRP 90 -0.471 -14.712 -3.262
738 2HB TRP 90 HB1 TRP 90 -0.386 -13.265 -4.244
739 HD1 TRP 90 HD1 TRP 90 -2.186 -14.728 -1.385
740 HE1 TRP 90 HE1 TRP 90 -4.220 -13.282 -0.739
741 HE3 TRP 90 HE3 TRP 90 -2.405 -11.644 -5.449
742 HZ2 TRP 90 HZ2 TRP 90 -5.738 -11.108 -1.798
743 HZ3 TRP 90 HZ3 TRP 90 -4.157 -9.904 -5.601
744 HH2 TRP 90 HH2 TRP 90 -5.821 -9.626 -3.787
745 H GLU 91 HN GLU 91 -0.862 -16.714 -3.608
746 HA GLU 91 HA GLU 91 -3.614 -17.803 -3.289
747 1HB GLU 91 HB2 GLU 91 -2.154 -19.169 -4.818
748 2HB GLU 91 HB1 GLU 91 -1.070 -19.436 -3.456
749 1HG GLU 91 HG2 GLU 91 -2.695 -20.622 -2.236
750 2HG GLU 91 HG1 GLU 91 -4.012 -20.023 -3.245
751 H GLY 92 HN GLY 92 -3.696 -16.639 -1.244
752 1HA GLY 92 HA2 GLY 92 -3.286 -17.895 1.101
753 2HA GLY 92 HA1 GLY 92 -1.653 -17.321 0.778
754 H GLU 93 HN GLU 93 -2.698 -16.307 3.022
755 HA GLU 93 HA GLU 93 -4.178 -13.834 2.522
756 1HB GLU 93 HB2 GLU 93 -3.386 -15.411 4.828
757 2HB GLU 93 HB1 GLU 93 -3.020 -13.705 5.079
758 1HG GLU 93 HG2 GLU 93 -5.462 -13.405 4.043
759 2HG GLU 93 HG1 GLU 93 -5.665 -15.035 4.688
760 HA PRO 94 HA PRO 94 -0.345 -11.793 1.418
761 1HB PRO 94 HB2 PRO 94 -1.694 -9.321 1.124
762 2HB PRO 94 HB1 PRO 94 -1.278 -10.476 -0.149
763 1HG PRO 94 HG2 PRO 94 -3.900 -9.865 0.919
764 2HG PRO 94 HG1 PRO 94 -3.488 -10.950 -0.416
765 1HD PRO 94 HD2 PRO 94 -4.305 -11.659 2.260
766 2HD PRO 94 HD1 PRO 94 -3.932 -12.741 0.917
767 H TRP 95 HN TRP 95 0.848 -9.800 2.197
768 HA TRP 95 HA TRP 95 0.150 -9.143 5.025
769 1HB TRP 95 HB2 TRP 95 2.650 -8.517 5.140
770 2HB TRP 95 HB1 TRP 95 2.279 -10.228 5.087
771 HD1 TRP 95 HD1 TRP 95 3.059 -11.576 2.938
772 HE1 TRP 95 HE1 TRP 95 4.514 -10.986 0.924
773 HE3 TRP 95 HE3 TRP 95 3.283 -6.504 3.496
774 HZ2 TRP 95 HZ2 TRP 95 5.646 -8.657 -0.309
775 HZ3 TRP 95 HZ3 TRP 95 4.566 -5.127 1.880
776 HH2 TRP 95 HH2 TRP 95 5.744 -6.197 -0.017
777 H GLY 96 HN GLY 96 1.769 -6.955 5.360
778 1HA GLY 96 HA2 GLY 96 2.044 -5.021 3.447
779 2HA GLY 96 HA1 GLY 96 0.339 -4.928 3.846
780 H LYS 97 HN LYS 97 -0.183 -4.607 6.129
781 HA LYS 97 HA LYS 97 1.836 -2.885 7.473
782 1HB LYS 97 HB2 LYS 97 -1.066 -2.815 7.180
783 2HB LYS 97 HB1 LYS 97 -0.570 -2.675 8.865
784 1HG LYS 97 HG2 LYS 97 0.394 -0.961 6.557
785 2HG LYS 97 HG1 LYS 97 -0.659 -0.445 7.873
786 1HD LYS 97 HD2 LYS 97 1.714 -1.633 8.980
787 2HD LYS 97 HD1 LYS 97 2.176 -0.403 7.804
788 1HE LYS 97 HE2 LYS 97 0.013 0.192 9.800
789 2HE LYS 97 HE1 LYS 97 1.706 0.313 10.280
790 1HZ LYS 97 HZ1 LYS 97 0.596 1.643 7.874
791 2HZ LYS 97 HZ3 LYS 97 0.709 2.403 9.386
792 3HZ LYS 97 HZ2 LYS 97 2.118 1.892 8.587
793 H GLU 98 HN GLU 98 1.202 -3.038 10.088
794 HA GLU 98 HA GLU 98 1.274 -5.962 10.716
795 1HB GLU 98 HB2 GLU 98 3.513 -4.809 10.929
796 2HB GLU 98 HB1 GLU 98 2.805 -3.807 12.198
797 1HG GLU 98 HG2 GLU 98 2.160 -6.552 12.731
798 2HG GLU 98 HG1 GLU 98 3.898 -6.423 12.454
799 H GLY 99 HN GLY 99 0.795 -2.748 12.229
800 1HA GLY 99 HA2 GLY 99 -0.931 -3.933 14.283
801 2HA GLY 99 HA1 GLY 99 -0.549 -2.218 14.114
802 H GLN 100 HN GLN 100 -1.404 -3.224 11.093
803 HA GLN 100 HA GLN 100 -4.237 -2.404 11.546
804 1HB GLN 100 HB2 GLN 100 -2.225 -1.477 9.719
805 2HB GLN 100 HB1 GLN 100 -3.555 -2.181 8.800
806 1HG GLN 100 HG2 GLN 100 -4.433 -0.509 11.055
807 2HG GLN 100 HG1 GLN 100 -3.535 0.377 9.821
808 1HE2 GLN 100 HE22 GLN 100 -6.599 0.610 8.062
809 2HE2 GLN 100 HE21 GLN 100 -5.375 1.452 8.883
810 HA PRO 101 HA PRO 101 -5.222 -6.545 10.280
811 1HB PRO 101 HB2 PRO 101 -7.934 -5.796 9.770
812 2HB PRO 101 HB1 PRO 101 -7.293 -6.627 11.194
813 1HG PRO 101 HG2 PRO 101 -8.239 -3.909 11.028
814 2HG PRO 101 HG1 PRO 101 -7.585 -4.743 12.443
815 1HD PRO 101 HD2 PRO 101 -6.320 -2.694 10.840
816 2HD PRO 101 HD1 PRO 101 -5.693 -3.490 12.298
817 H GLY 102 HN GLY 102 -7.315 -4.334 8.529
818 1HA GLY 102 HA2 GLY 102 -7.162 -3.733 6.201
819 2HA GLY 102 HA1 GLY 102 -5.995 -5.022 5.959
820 H GLU 103 HN GLU 103 -8.189 -4.847 4.193
821 HA GLU 103 HA GLU 103 -9.460 -7.431 4.789
822 1HB GLU 103 HB2 GLU 103 -11.789 -6.263 4.372
823 2HB GLU 103 HB1 GLU 103 -11.089 -6.302 5.990
824 1HG GLU 103 HG2 GLU 103 -10.010 -4.048 5.415
825 2HG GLU 103 HG1 GLU 103 -11.086 -4.010 4.018
826 H TRP 104 HN TRP 104 -10.756 -8.228 3.002
827 HA TRP 104 HA TRP 104 -9.687 -7.350 0.413
828 1HB TRP 104 HB2 TRP 104 -11.819 -9.419 0.528
829 2HB TRP 104 HB1 TRP 104 -10.300 -9.423 -0.366
830 HD1 TRP 104 HD1 TRP 104 -8.240 -9.055 1.925
831 HE1 TRP 104 HE1 TRP 104 -7.862 -10.911 3.673
832 HE3 TRP 104 HE3 TRP 104 -12.644 -11.602 1.471
833 HZ2 TRP 104 HZ2 TRP 104 -9.249 -13.178 4.740
834 HZ3 TRP 104 HZ3 TRP 104 -13.089 -13.604 2.863
835 HH2 TRP 104 HH2 TRP 104 -11.399 -14.394 4.496
836 H MET 105 HN MET 105 -10.699 -5.344 -0.027
837 HA MET 105 HA MET 105 -13.629 -5.146 0.156
838 1HB MET 105 HB2 MET 105 -11.592 -3.311 0.382
839 2HB MET 105 HB1 MET 105 -12.186 -3.004 -1.250
840 1HG MET 105 HG2 MET 105 -14.552 -3.168 -0.042
841 2HG MET 105 HG1 MET 105 -13.598 -2.708 1.369
842 1HE MET 105 HE2 MET 105 -11.413 -1.432 0.489
843 2HE MET 105 HE1 MET 105 -11.412 -0.842 -1.170
844 3HE MET 105 HE3 MET 105 -11.639 0.287 0.174
845 H SER 106 HN SER 106 -14.991 -5.434 -1.547
846 HA SER 106 HA SER 106 -13.775 -5.891 -4.228
847 1HB SER 106 HB2 SER 106 -16.323 -6.903 -4.328
848 2HB SER 106 HB1 SER 106 -14.890 -7.850 -3.957
849 HG SER 106 HG SER 106 -15.760 -8.144 -2.078
850 H LEU 107 HN LEU 107 -13.903 -3.837 -5.128
851 HA LEU 107 HA LEU 107 -16.656 -2.671 -5.266
852 1HB LEU 107 HB2 LEU 107 -14.140 -1.487 -4.430
853 2HB LEU 107 HB1 LEU 107 -14.825 -0.613 -5.800
854 HG LEU 107 HG LEU 107 -16.387 -1.340 -3.311
855 1HD1 LEU 107 HD13 LEU 107 -14.505 0.299 -2.926
856 2HD1 LEU 107 HD12 LEU 107 -15.264 1.357 -4.116
857 3HD1 LEU 107 HD11 LEU 107 -16.111 0.960 -2.620
858 1HD2 LEU 107 HD23 LEU 107 -17.040 -0.244 -5.937
859 2HD2 LEU 107 HD22 LEU 107 -18.120 -0.827 -4.670
860 3HD2 LEU 107 HD21 LEU 107 -17.533 0.836 -4.633
861 H VAL 108 HN VAL 108 -13.781 -1.596 -6.961
862 HA VAL 108 HA VAL 108 -14.183 -2.972 -9.428
863 HB VAL 108 HB VAL 108 -15.776 -0.523 -8.898
864 1HG1 VAL 108 HG11 VAL 108 -14.115 -0.893 -11.372
865 2HG1 VAL 108 HG13 VAL 108 -15.727 -0.193 -11.525
866 3HG1 VAL 108 HG12 VAL 108 -14.517 0.593 -10.511
867 1HG2 VAL 108 HG22 VAL 108 -16.095 -3.171 -10.017
868 2HG2 VAL 108 HG21 VAL 108 -17.337 -2.033 -9.495
869 3HG2 VAL 108 HG23 VAL 108 -16.707 -1.958 -11.141
870 H GLY 109 HN GLY 109 -13.455 0.327 -8.259
871 1HA GLY 109 HA2 GLY 109 -10.621 0.005 -8.908
872 2HA GLY 109 HA1 GLY 109 -11.467 1.143 -9.960
873 H LEU 110 HN LEU 110 -10.449 0.522 -6.652
874 HA LEU 110 HA LEU 110 -11.584 2.512 -5.161
875 1HB LEU 110 HB2 LEU 110 -9.149 1.022 -5.077
876 2HB LEU 110 HB1 LEU 110 -8.784 2.697 -4.671
877 HG LEU 110 HG LEU 110 -10.930 0.986 -3.391
878 1HD1 LEU 110 HD13 LEU 110 -8.208 1.003 -2.912
879 2HD1 LEU 110 HD12 LEU 110 -8.812 2.165 -1.731
880 3HD1 LEU 110 HD11 LEU 110 -9.439 0.516 -1.747
881 1HD2 LEU 110 HD21 LEU 110 -10.135 3.887 -3.087
882 2HD2 LEU 110 HD23 LEU 110 -11.742 3.219 -3.373
883 3HD2 LEU 110 HD22 LEU 110 -10.972 3.020 -1.798
884 H ASN 111 HN ASN 111 -11.373 4.739 -4.923
885 HA ASN 111 HA ASN 111 -9.665 6.138 -6.937
886 1HB ASN 111 HB2 ASN 111 -12.424 6.058 -7.025
887 2HB ASN 111 HB1 ASN 111 -12.118 7.557 -6.147
888 1HD2 ASN 111 HD22 ASN 111 -11.148 7.293 -10.100
889 2HD2 ASN 111 HD21 ASN 111 -11.690 5.926 -9.251
890 H ALA 112 HN ALA 112 -10.000 8.719 -6.144
891 HA ALA 112 HA ALA 112 -8.551 8.772 -3.622
892 1HB ALA 112 HB1 ALA 112 -8.375 10.382 -5.682
893 2HB ALA 112 HB3 ALA 112 -9.728 11.216 -4.917
894 3HB ALA 112 HB2 ALA 112 -8.198 11.043 -4.056
895 H ASP 113 HN ASP 113 -11.828 8.646 -4.424
896 HA ASP 113 HA ASP 113 -13.002 10.375 -2.487
897 1HB ASP 113 HB2 ASP 113 -14.107 9.076 -4.433
898 2HB ASP 113 HB1 ASP 113 -14.188 7.727 -3.303
899 H ASP 114 HN ASP 114 -12.470 6.846 -2.328
900 HA ASP 114 HA ASP 114 -12.959 6.846 0.566
901 1HB ASP 114 HB2 ASP 114 -12.807 4.883 -1.551
902 2HB ASP 114 HB1 ASP 114 -11.765 4.406 -0.212
903 H PHE 115 HN PHE 115 -10.325 7.423 -1.502
904 HA PHE 115 HA PHE 115 -8.314 6.569 0.484
905 1HB PHE 115 HB2 PHE 115 -8.292 7.450 -2.349
906 2HB PHE 115 HB1 PHE 115 -6.875 7.883 -1.391
907 HD1 PHE 115 HD2 PHE 115 -6.294 5.798 0.368
908 HD2 PHE 115 HD1 PHE 115 -8.007 5.479 -3.557
909 HE1 PHE 115 HE2 PHE 115 -5.457 3.471 0.193
910 HE2 PHE 115 HE1 PHE 115 -7.169 3.152 -3.734
911 HZ PHE 115 HZ PHE 115 -5.894 2.148 -1.858
912 HA PRO 116 HA PRO 116 -8.936 10.536 2.490
913 1HB PRO 116 HB2 PRO 116 -6.470 9.916 3.924
914 2HB PRO 116 HB1 PRO 116 -8.114 10.054 4.555
915 1HG PRO 116 HG2 PRO 116 -6.629 7.650 4.143
916 2HG PRO 116 HG1 PRO 116 -8.325 7.785 4.626
917 1HD PRO 116 HD2 PRO 116 -7.282 6.886 2.096
918 2HD PRO 116 HD1 PRO 116 -8.982 7.039 2.581
919 HA PRO 117 HA PRO 117 -6.316 12.957 -0.085
920 1HB PRO 117 HB2 PRO 117 -6.358 15.171 1.760
921 2HB PRO 117 HB1 PRO 117 -7.268 14.983 0.256
922 1HG PRO 117 HG2 PRO 117 -8.283 14.830 2.943
923 2HG PRO 117 HG1 PRO 117 -9.180 14.607 1.435
924 1HD PRO 117 HD2 PRO 117 -8.418 12.591 3.353
925 2HD PRO 117 HD1 PRO 117 -9.325 12.373 1.844
926 H ALA 118 HN ALA 118 -4.151 12.863 -0.219
927 HA ALA 118 HA ALA 118 -2.140 13.922 1.239
928 1HB ALA 118 HB1 ALA 118 -3.128 11.439 2.647
929 2HB ALA 118 HB3 ALA 118 -1.450 11.962 2.788
930 3HB ALA 118 HB2 ALA 118 -2.751 13.016 3.342
931 H ASN 119 HN ASN 119 -3.364 11.236 -0.511
932 HA ASN 119 HA ASN 119 -0.628 10.609 -1.512
933 1HB ASN 119 HB2 ASN 119 -2.814 8.904 -0.525
934 2HB ASN 119 HB1 ASN 119 -2.178 8.410 -2.085
935 1HD2 ASN 119 HD22 ASN 119 0.425 8.439 1.108
936 2HD2 ASN 119 HD21 ASN 119 -0.850 9.559 1.074
937 H GLU 120 HN GLU 120 -2.036 12.663 -2.639
938 HA GLU 120 HA GLU 120 -3.838 11.957 -4.729
939 1HB GLU 120 HB2 GLU 120 -2.015 14.357 -4.756
940 2HB GLU 120 HB1 GLU 120 -3.625 14.204 -5.459
941 1HG GLU 120 HG2 GLU 120 -3.756 13.546 -2.662
942 2HG GLU 120 HG1 GLU 120 -2.959 15.109 -2.852
943 HA PRO 121 HA PRO 121 0.151 12.259 -7.550
944 1HB PRO 121 HB2 PRO 121 2.169 10.773 -6.110
945 2HB PRO 121 HB1 PRO 121 2.242 12.435 -6.712
946 1HG PRO 121 HG2 PRO 121 2.007 11.610 -3.989
947 2HG PRO 121 HG1 PRO 121 1.923 13.263 -4.614
948 1HD PRO 121 HD2 PRO 121 -0.232 11.601 -3.603
949 2HD PRO 121 HD1 PRO 121 -0.292 13.311 -4.070
950 H VAL 122 HN VAL 122 -0.416 9.456 -5.394
951 HA VAL 122 HA VAL 122 -0.081 7.681 -7.754
952 HB VAL 122 HB VAL 122 -0.460 5.945 -5.780
953 1HG1 VAL 122 HG11 VAL 122 1.701 6.875 -7.215
954 2HG1 VAL 122 HG13 VAL 122 2.222 7.093 -5.544
955 3HG1 VAL 122 HG12 VAL 122 1.732 5.497 -6.113
956 1HG2 VAL 122 HG22 VAL 122 0.640 8.385 -4.392
957 2HG2 VAL 122 HG21 VAL 122 -0.937 7.658 -4.095
958 3HG2 VAL 122 HG23 VAL 122 0.532 6.774 -3.688
959 H ILE 123 HN ILE 123 -2.319 8.393 -5.087
960 HA ILE 123 HA ILE 123 -4.457 6.724 -5.759
961 HB ILE 123 HB ILE 123 -4.501 9.588 -4.770
962 1HG1 ILE 123 HG12 ILE 123 -3.220 7.847 -3.456
963 2HG1 ILE 123 HG11 ILE 123 -4.539 8.616 -2.573
964 1HG2 ILE 123 HG23 ILE 123 -6.677 8.858 -5.704
965 2HG2 ILE 123 HG22 ILE 123 -6.643 7.449 -4.643
966 3HG2 ILE 123 HG21 ILE 123 -6.748 9.069 -3.954
967 1HD1 ILE 123 HD13 ILE 123 -5.922 6.570 -3.567
968 2HD1 ILE 123 HD12 ILE 123 -4.329 5.827 -3.636
969 3HD1 ILE 123 HD11 ILE 123 -4.973 6.389 -2.095
970 H ALA 124 HN ALA 124 -3.488 9.834 -7.144
971 HA ALA 124 HA ALA 124 -5.707 10.340 -8.799
972 1HB ALA 124 HB1 ALA 124 -2.760 10.763 -9.383
973 2HB ALA 124 HB3 ALA 124 -4.073 11.468 -10.326
974 3HB ALA 124 HB2 ALA 124 -3.857 11.924 -8.636
975 H LYS 125 HN LYS 125 -2.887 8.256 -9.398
976 HA LYS 125 HA LYS 125 -3.784 7.399 -12.002
977 1HB LYS 125 HB2 LYS 125 -1.847 6.083 -10.076
978 2HB LYS 125 HB1 LYS 125 -2.044 5.657 -11.776
979 1HG LYS 125 HG2 LYS 125 -1.234 8.395 -10.754
980 2HG LYS 125 HG1 LYS 125 -0.127 7.197 -11.428
981 1HD LYS 125 HD2 LYS 125 -1.710 7.209 -13.486
982 2HD LYS 125 HD1 LYS 125 -2.317 8.727 -12.823
983 1HE LYS 125 HE2 LYS 125 0.630 8.224 -13.263
984 2HE LYS 125 HE1 LYS 125 -0.403 8.925 -14.508
985 1HZ LYS 125 HZ1 LYS 125 -1.073 10.432 -12.439
986 2HZ LYS 125 HZ3 LYS 125 0.526 10.072 -12.002
987 3HZ LYS 125 HZ2 LYS 125 0.202 10.826 -13.490
988 H LEU 126 HN LEU 126 -4.028 5.989 -8.741
989 HA LEU 126 HA LEU 126 -5.266 3.556 -9.506
990 1HB LEU 126 HB2 LEU 126 -5.946 4.900 -6.914
991 2HB LEU 126 HB1 LEU 126 -5.597 3.211 -7.241
992 HG LEU 126 HG LEU 126 -3.651 5.493 -7.002
993 1HD1 LEU 126 HD12 LEU 126 -4.243 4.232 -4.970
994 2HD1 LEU 126 HD11 LEU 126 -3.796 2.727 -5.775
995 3HD1 LEU 126 HD13 LEU 126 -2.565 3.942 -5.429
996 1HD2 LEU 126 HD23 LEU 126 -3.469 3.021 -8.632
997 2HD2 LEU 126 HD22 LEU 126 -2.603 4.547 -8.806
998 3HD2 LEU 126 HD21 LEU 126 -2.078 3.366 -7.607
999 H LYS 127 HN LYS 127 -6.427 6.732 -9.699
1000 HA LYS 127 HA LYS 127 -9.146 6.481 -9.017
1001 1HB LYS 127 HB2 LYS 127 -7.626 8.123 -11.034
1002 2HB LYS 127 HB1 LYS 127 -9.374 8.230 -10.918
1003 1HG LYS 127 HG2 LYS 127 -8.862 8.486 -8.330
1004 2HG LYS 127 HG1 LYS 127 -7.301 9.046 -8.931
1005 1HD LYS 127 HD2 LYS 127 -8.451 10.709 -10.353
1006 2HD LYS 127 HD1 LYS 127 -10.005 10.165 -9.720
1007 1HE LYS 127 HE2 LYS 127 -9.157 10.714 -7.404
1008 2HE LYS 127 HE1 LYS 127 -7.748 11.454 -8.165
1009 1HZ LYS 127 HZ1 LYS 127 -9.497 12.735 -9.519
1010 2HZ LYS 127 HZ3 LYS 127 -10.569 12.294 -8.281
1011 3HZ LYS 127 HZ2 LYS 127 -9.190 13.219 -7.920
1012 H ARG 128 HN ARG 128 -7.509 5.859 -12.136
1013 HA ARG 128 HA ARG 128 -9.944 4.647 -13.205
1014 1HB ARG 128 HB2 ARG 128 -8.306 4.245 -15.180
1015 2HB ARG 128 HB1 ARG 128 -8.837 5.888 -14.860
1016 1HG ARG 128 HG2 ARG 128 -6.779 6.503 -13.946
1017 2HG ARG 128 HG1 ARG 128 -6.349 4.840 -13.544
1018 1HD ARG 128 HD2 ARG 128 -6.498 4.547 -16.191
1019 2HD ARG 128 HD1 ARG 128 -6.137 6.273 -16.157
1020 HE ARG 128 HE ARG 128 -4.262 5.168 -14.441
1021 1HH1 ARG 128 HH21 ARG 128 -5.340 4.448 -17.642
1022 2HH1 ARG 128 HH22 ARG 128 -3.769 3.988 -18.205
1023 1HH2 ARG 128 HH11 ARG 128 -2.192 4.654 -15.193
1024 2HH2 ARG 128 HH12 ARG 128 -1.991 4.104 -16.823
1025 H LEU 129 HN LEU 129 -7.572 3.641 -11.172
1026 HA LEU 129 HA LEU 129 -6.435 1.286 -11.994
1027 1HB LEU 129 HB2 LEU 129 -6.700 2.401 -9.591
1028 2HB LEU 129 HB1 LEU 129 -7.948 1.170 -9.415
1029 HG LEU 129 HG LEU 129 -5.682 -0.082 -10.600
1030 1HD1 LEU 129 HD13 LEU 129 -5.040 1.559 -8.127
1031 2HD1 LEU 129 HD12 LEU 129 -4.000 0.311 -8.813
1032 3HD1 LEU 129 HD11 LEU 129 -4.335 1.781 -9.728
1033 1HD2 LEU 129 HD23 LEU 129 -6.956 -0.173 -7.850
1034 2HD2 LEU 129 HD22 LEU 129 -7.277 -1.249 -9.210
1035 3HD2 LEU 129 HD21 LEU 129 -5.720 -1.312 -8.385
No H/Q in entry = 1035
Start of MODEL 2
1 1H MET 1 HT3 MET 1 15.957 13.264 10.586
2 2H MET 1 HT2 MET 1 14.763 14.124 11.436
3 3H MET 1 HT1 MET 1 14.317 12.924 10.319
4 HA MET 1 HA MET 1 13.956 15.050 9.314
5 1HB MET 1 HB2 MET 1 15.744 16.100 10.872
6 2HB MET 1 HB1 MET 1 16.902 15.613 9.633
7 1HG MET 1 HG2 MET 1 16.243 17.257 8.223
8 2HG MET 1 HG1 MET 1 14.535 16.934 8.520
9 1HE MET 1 HE3 MET 1 13.636 19.113 8.534
10 2HE MET 1 HE2 MET 1 13.019 18.333 9.989
11 3HE MET 1 HE1 MET 1 13.508 20.025 10.045
12 H LYS 2 HN LYS 2 14.521 12.365 8.502
13 HA LYS 2 HA LYS 2 15.207 12.771 5.767
14 1HB LYS 2 HB2 LYS 2 17.414 11.859 5.607
15 2HB LYS 2 HB1 LYS 2 17.486 13.081 6.878
16 1HG LYS 2 HG2 LYS 2 16.857 11.014 8.427
17 2HG LYS 2 HG1 LYS 2 17.589 10.099 7.107
18 1HD LYS 2 HD2 LYS 2 18.968 12.478 8.361
19 2HD LYS 2 HD1 LYS 2 19.165 10.842 8.992
20 1HE LYS 2 HE2 LYS 2 19.691 11.617 6.111
21 2HE LYS 2 HE1 LYS 2 20.945 11.500 7.345
22 1HZ LYS 2 HZ1 LYS 2 19.422 9.172 7.468
23 2HZ LYS 2 HZ3 LYS 2 19.780 9.438 5.831
24 3HZ LYS 2 HZ2 LYS 2 21.037 9.337 6.969
25 H LYS 3 HN LYS 3 13.158 11.402 7.057
26 HA LYS 3 HA LYS 3 13.863 8.532 6.612
27 1HB LYS 3 HB2 LYS 3 12.644 9.682 8.798
28 2HB LYS 3 HB1 LYS 3 11.266 9.105 7.858
29 1HG LYS 3 HG2 LYS 3 12.627 6.902 7.630
30 2HG LYS 3 HG1 LYS 3 13.566 7.521 8.990
31 1HD LYS 3 HD2 LYS 3 11.485 7.761 10.308
32 2HD LYS 3 HD1 LYS 3 10.561 7.110 8.954
33 1HE LYS 3 HE2 LYS 3 10.896 5.129 10.053
34 2HE LYS 3 HE1 LYS 3 12.436 5.174 9.195
35 1HZ LYS 3 HZ1 LYS 3 13.379 6.336 11.140
36 2HZ LYS 3 HZ3 LYS 3 11.915 6.108 11.964
37 3HZ LYS 3 HZ2 LYS 3 12.845 4.764 11.498
38 H LEU 4 HN LEU 4 13.565 8.609 4.347
39 HA LEU 4 HA LEU 4 10.765 9.129 3.453
40 1HB LEU 4 HB2 LEU 4 12.751 8.982 1.314
41 2HB LEU 4 HB1 LEU 4 11.541 10.222 1.633
42 HG LEU 4 HG LEU 4 13.135 10.905 3.592
43 1HD1 LEU 4 HD12 LEU 4 14.618 8.801 2.281
44 2HD1 LEU 4 HD11 LEU 4 15.508 10.319 2.171
45 3HD1 LEU 4 HD13 LEU 4 15.025 9.691 3.747
46 1HD2 LEU 4 HD22 LEU 4 12.631 12.182 1.458
47 2HD2 LEU 4 HD21 LEU 4 14.234 12.479 2.132
48 3HD2 LEU 4 HD23 LEU 4 14.046 11.407 0.745
49 H GLN 5 HN GLN 5 10.365 7.900 1.300
50 HA GLN 5 HA GLN 5 9.922 5.844 0.315
51 1HB GLN 5 HB2 GLN 5 12.517 4.782 1.384
52 2HB GLN 5 HB1 GLN 5 11.778 4.529 -0.197
53 1HG GLN 5 HG2 GLN 5 12.249 6.859 -0.811
54 2HG GLN 5 HG1 GLN 5 12.951 7.149 0.781
55 1HE2 GLN 5 HE22 GLN 5 15.113 5.147 -2.047
56 2HE2 GLN 5 HE21 GLN 5 13.483 5.529 -2.325
57 H ILE 6 HN ILE 6 8.583 4.302 1.032
58 HA ILE 6 HA ILE 6 9.167 3.007 3.650
59 HB ILE 6 HB ILE 6 6.968 4.747 3.061
60 1HG1 ILE 6 HG12 ILE 6 7.732 2.971 5.387
61 2HG1 ILE 6 HG11 ILE 6 8.041 4.697 5.200
62 1HG2 ILE 6 HG23 ILE 6 5.922 2.597 2.157
63 2HG2 ILE 6 HG22 ILE 6 6.010 1.972 3.804
64 3HG2 ILE 6 HG21 ILE 6 5.032 3.397 3.452
65 1HD1 ILE 6 HD12 ILE 6 5.460 4.929 5.060
66 2HD1 ILE 6 HD11 ILE 6 5.423 3.306 5.750
67 3HD1 ILE 6 HD13 ILE 6 6.176 4.626 6.643
68 H ALA 7 HN ALA 7 7.602 0.927 3.748
69 HA ALA 7 HA ALA 7 7.781 -0.313 1.032
70 1HB ALA 7 HB3 ALA 7 8.117 -1.619 3.742
71 2HB ALA 7 HB2 ALA 7 8.145 -2.467 2.198
72 3HB ALA 7 HB1 ALA 7 9.402 -1.291 2.580
73 H VAL 8 HN VAL 8 5.516 0.432 0.693
74 HA VAL 8 HA VAL 8 3.556 -1.102 2.352
75 HB VAL 8 HB VAL 8 2.930 1.226 2.158
76 1HG1 VAL 8 HG12 VAL 8 3.252 0.789 -0.818
77 2HG1 VAL 8 HG11 VAL 8 2.522 2.223 -0.101
78 3HG1 VAL 8 HG13 VAL 8 4.221 1.858 0.195
79 1HG2 VAL 8 HG22 VAL 8 1.306 -0.835 1.547
80 2HG2 VAL 8 HG21 VAL 8 0.744 0.836 1.587
81 3HG2 VAL 8 HG23 VAL 8 1.174 0.085 0.050
82 H GLY 9 HN GLY 9 2.160 -2.598 1.362
83 1HA GLY 9 HA2 GLY 9 2.767 -3.202 -1.501
84 2HA GLY 9 HA1 GLY 9 2.688 -4.486 -0.297
85 H ILE 10 HN ILE 10 0.906 -2.748 -2.545
86 HA ILE 10 HA ILE 10 -1.688 -3.237 -1.214
87 HB ILE 10 HB ILE 10 -1.549 -2.282 -4.027
88 1HG1 ILE 10 HG12 ILE 10 -0.740 -0.532 -1.684
89 2HG1 ILE 10 HG11 ILE 10 0.345 -1.098 -2.945
90 1HG2 ILE 10 HG22 ILE 10 -3.539 -2.490 -2.234
91 2HG2 ILE 10 HG21 ILE 10 -2.987 -0.858 -1.851
92 3HG2 ILE 10 HG23 ILE 10 -3.521 -1.247 -3.486
93 1HD1 ILE 10 HD11 ILE 10 -2.047 0.121 -4.055
94 2HD1 ILE 10 HD13 ILE 10 -1.147 1.238 -3.029
95 3HD1 ILE 10 HD12 ILE 10 -0.353 0.465 -4.400
96 H ILE 11 HN ILE 11 -3.361 -4.385 -2.603
97 HA ILE 11 HA ILE 11 -2.282 -6.271 -4.591
98 HB ILE 11 HB ILE 11 -3.782 -7.635 -2.424
99 1HG1 ILE 11 HG12 ILE 11 -0.942 -6.642 -2.033
100 2HG1 ILE 11 HG11 ILE 11 -2.352 -6.114 -1.131
101 1HG2 ILE 11 HG21 ILE 11 -2.436 -8.456 -4.604
102 2HG2 ILE 11 HG23 ILE 11 -1.122 -8.523 -3.429
103 3HG2 ILE 11 HG22 ILE 11 -2.595 -9.458 -3.163
104 1HD1 ILE 11 HD12 ILE 11 -1.393 -8.981 -1.208
105 2HD1 ILE 11 HD11 ILE 11 -0.960 -7.838 0.062
106 3HD1 ILE 11 HD13 ILE 11 -2.644 -8.312 -0.162
107 H ARG 12 HN ARG 12 -3.962 -7.103 -5.886
108 HA ARG 12 HA ARG 12 -6.762 -6.718 -5.152
109 1HB ARG 12 HB2 ARG 12 -6.093 -4.440 -5.873
110 2HB ARG 12 HB1 ARG 12 -5.605 -5.096 -7.434
111 1HG ARG 12 HG2 ARG 12 -7.939 -5.997 -7.709
112 2HG ARG 12 HG1 ARG 12 -8.397 -5.120 -6.249
113 1HD ARG 12 HD2 ARG 12 -8.969 -3.662 -8.040
114 2HD ARG 12 HD1 ARG 12 -7.442 -3.029 -7.420
115 HE ARG 12 HE ARG 12 -6.663 -4.792 -9.409
116 1HH1 ARG 12 HH11 ARG 12 -8.674 -2.004 -9.110
117 2HH1 ARG 12 HH12 ARG 12 -8.537 -1.564 -10.778
118 1HH2 ARG 12 HH21 ARG 12 -6.540 -4.276 -11.608
119 2HH2 ARG 12 HH22 ARG 12 -7.328 -2.849 -12.192
120 H ASN 13 HN ASN 13 -6.446 -9.082 -5.634
121 HA ASN 13 HA ASN 13 -7.237 -9.622 -8.401
122 1HB ASN 13 HB2 ASN 13 -4.663 -10.752 -7.287
123 2HB ASN 13 HB1 ASN 13 -5.399 -11.222 -8.819
124 1HD2 ASN 13 HD22 ASN 13 -3.477 -7.610 -8.565
125 2HD2 ASN 13 HD21 ASN 13 -3.846 -8.464 -7.148
126 H GLU 14 HN GLU 14 -6.744 -12.389 -8.372
127 HA GLU 14 HA GLU 14 -7.722 -14.360 -7.581
128 1HB GLU 14 HB2 GLU 14 -6.534 -13.014 -5.299
129 2HB GLU 14 HB1 GLU 14 -7.929 -13.984 -4.823
130 1HG GLU 14 HG2 GLU 14 -5.653 -15.007 -6.544
131 2HG GLU 14 HG1 GLU 14 -5.777 -15.271 -4.804
132 H ASN 15 HN ASN 15 -8.981 -12.449 -4.955
133 HA ASN 15 HA ASN 15 -11.729 -13.110 -5.867
134 1HB ASN 15 HB2 ASN 15 -10.845 -13.424 -3.435
135 2HB ASN 15 HB1 ASN 15 -11.074 -11.679 -3.297
136 1HD2 ASN 15 HD22 ASN 15 -14.309 -13.071 -2.240
137 2HD2 ASN 15 HD21 ASN 15 -12.735 -12.914 -1.624
138 H ASN 16 HN ASN 16 -10.048 -11.016 -7.151
139 HA ASN 16 HA ASN 16 -10.167 -8.743 -7.769
140 1HB ASN 16 HB2 ASN 16 -12.058 -9.663 -8.981
141 2HB ASN 16 HB1 ASN 16 -13.074 -9.554 -7.546
142 1HD2 ASN 16 HD22 ASN 16 -14.009 -6.245 -8.271
143 2HD2 ASN 16 HD21 ASN 16 -14.363 -7.708 -7.487
144 H GLU 17 HN GLU 17 -9.690 -8.986 -5.039
145 HA GLU 17 HA GLU 17 -11.249 -6.673 -3.967
146 1HB GLU 17 HB2 GLU 17 -10.248 -9.061 -2.377
147 2HB GLU 17 HB1 GLU 17 -11.139 -7.681 -1.732
148 1HG GLU 17 HG2 GLU 17 -12.727 -8.564 -3.843
149 2HG GLU 17 HG1 GLU 17 -12.145 -10.055 -3.102
150 H ILE 18 HN ILE 18 -9.929 -5.201 -2.689
151 HA ILE 18 HA ILE 18 -7.056 -5.616 -3.243
152 HB ILE 18 HB ILE 18 -8.123 -3.054 -2.133
153 1HG1 ILE 18 HG12 ILE 18 -8.134 -3.686 -5.091
154 2HG1 ILE 18 HG11 ILE 18 -9.574 -3.874 -4.090
155 1HG2 ILE 18 HG22 ILE 18 -5.660 -3.495 -2.486
156 2HG2 ILE 18 HG21 ILE 18 -5.989 -3.605 -4.213
157 3HG2 ILE 18 HG23 ILE 18 -6.277 -2.092 -3.357
158 1HD1 ILE 18 HD12 ILE 18 -8.334 -1.318 -3.566
159 2HD1 ILE 18 HD11 ILE 18 -8.635 -1.499 -5.295
160 3HD1 ILE 18 HD13 ILE 18 -9.964 -1.658 -4.147
161 H PHE 19 HN PHE 19 -5.483 -5.114 -1.593
162 HA PHE 19 HA PHE 19 -6.448 -5.842 1.124
163 1HB PHE 19 HB2 PHE 19 -4.511 -7.116 0.095
164 2HB PHE 19 HB1 PHE 19 -3.588 -5.613 0.125
165 HD1 PHE 19 HD2 PHE 19 -5.679 -7.742 2.403
166 HD2 PHE 19 HD1 PHE 19 -2.270 -5.156 2.005
167 HE1 PHE 19 HE2 PHE 19 -5.126 -8.102 4.791
168 HE2 PHE 19 HE1 PHE 19 -1.721 -5.517 4.395
169 HZ PHE 19 HZ PHE 19 -3.150 -6.989 5.788
170 H ILE 20 HN ILE 20 -7.388 -3.647 1.299
171 HA ILE 20 HA ILE 20 -5.652 -1.325 1.217
172 HB ILE 20 HB ILE 20 -8.336 -1.556 2.578
173 1HG1 ILE 20 HG12 ILE 20 -8.298 -2.462 0.190
174 2HG1 ILE 20 HG11 ILE 20 -9.404 -1.118 0.479
175 1HG2 ILE 20 HG21 ILE 20 -6.542 0.626 1.654
176 2HG2 ILE 20 HG23 ILE 20 -8.276 0.875 1.456
177 3HG2 ILE 20 HG22 ILE 20 -7.608 0.562 3.058
178 1HD1 ILE 20 HD11 ILE 20 -6.709 -0.233 -0.213
179 2HD1 ILE 20 HD13 ILE 20 -7.457 -1.203 -1.484
180 3HD1 ILE 20 HD12 ILE 20 -8.262 0.253 -0.895
181 H THR 21 HN THR 21 -5.463 0.097 3.155
182 HA THR 21 HA THR 21 -5.261 -1.508 5.668
183 HB THR 21 HB THR 21 -3.342 0.563 5.754
184 HG1 THR 21 HG1 THR 21 -3.496 0.487 3.454
185 1HG2 THR 21 HG21 THR 21 -3.575 -2.113 6.424
186 2HG2 THR 21 HG23 THR 21 -2.303 -2.108 5.203
187 3HG2 THR 21 HG22 THR 21 -2.137 -1.118 6.653
188 H ARG 22 HN ARG 22 -6.016 -0.434 7.519
189 HA ARG 22 HA ARG 22 -6.643 2.442 7.310
190 1HB ARG 22 HB2 ARG 22 -8.580 0.460 6.872
191 2HB ARG 22 HB1 ARG 22 -8.843 1.005 8.531
192 1HG ARG 22 HG2 ARG 22 -9.106 3.257 7.865
193 2HG ARG 22 HG1 ARG 22 -8.430 2.944 6.267
194 1HD ARG 22 HD2 ARG 22 -11.008 3.176 6.470
195 2HD ARG 22 HD1 ARG 22 -10.370 1.833 5.525
196 HE ARG 22 HE ARG 22 -10.639 0.801 8.095
197 1HH1 ARG 22 HH11 ARG 22 -12.730 2.670 6.093
198 2HH1 ARG 22 HH12 ARG 22 -14.146 1.764 6.500
199 1HH2 ARG 22 HH21 ARG 22 -12.452 -0.505 8.499
200 2HH2 ARG 22 HH22 ARG 22 -13.989 -0.032 7.859
201 H ARG 23 HN ARG 23 -6.644 3.461 9.356
202 HA ARG 23 HA ARG 23 -5.184 2.216 11.423
203 1HB ARG 23 HB2 ARG 23 -6.175 4.758 10.727
204 2HB ARG 23 HB1 ARG 23 -6.783 4.403 12.334
205 1HG ARG 23 HG2 ARG 23 -3.917 4.189 11.432
206 2HG ARG 23 HG1 ARG 23 -4.570 5.454 12.470
207 1HD ARG 23 HD2 ARG 23 -4.429 2.500 13.121
208 2HD ARG 23 HD1 ARG 23 -3.480 3.784 13.870
209 HE ARG 23 HE ARG 23 -5.868 3.027 14.940
210 1HH1 ARG 23 HH11 ARG 23 -4.238 5.873 14.612
211 2HH1 ARG 23 HH12 ARG 23 -5.610 6.917 14.773
212 1HH2 ARG 23 HH21 ARG 23 -7.929 4.349 14.530
213 2HH2 ARG 23 HH22 ARG 23 -7.701 6.054 14.726
214 H ALA 24 HN ALA 24 -5.994 0.522 12.518
215 HA ALA 24 HA ALA 24 -7.341 -0.542 14.142
216 1HB ALA 24 HB2 ALA 24 -7.957 1.981 14.664
217 2HB ALA 24 HB1 ALA 24 -9.478 1.541 13.885
218 3HB ALA 24 HB3 ALA 24 -8.936 0.667 15.318
219 H ALA 25 HN ALA 25 -8.151 0.203 10.985
220 HA ALA 25 HA ALA 25 -9.586 -0.826 9.438
221 1HB ALA 25 HB2 ALA 25 -8.990 -2.828 11.500
222 2HB ALA 25 HB1 ALA 25 -10.516 -3.122 10.667
223 3HB ALA 25 HB3 ALA 25 -9.017 -2.999 9.746
224 H ASP 26 HN ASP 26 -10.642 0.900 11.761
225 HA ASP 26 HA ASP 26 -13.500 0.203 11.300
226 1HB ASP 26 HB2 ASP 26 -12.286 -0.353 13.700
227 2HB ASP 26 HB1 ASP 26 -12.926 1.265 13.990
228 H ALA 27 HN ALA 27 -14.926 2.066 11.481
229 HA ALA 27 HA ALA 27 -13.562 4.698 11.733
230 1HB ALA 27 HB3 ALA 27 -14.617 3.523 9.269
231 2HB ALA 27 HB2 ALA 27 -15.324 5.098 9.628
232 3HB ALA 27 HB1 ALA 27 -13.575 4.930 9.484
233 H HIS 28 HN HIS 28 -14.919 6.326 12.535
234 HA HIS 28 HA HIS 28 -17.603 5.393 13.438
235 1HB HIS 28 HB2 HIS 28 -15.761 7.591 14.410
236 2HB HIS 28 HB1 HIS 28 -17.428 7.429 14.965
237 HD1 HIS 28 HD1 HIS 28 -17.803 4.535 15.461
238 HD2 HIS 28 HD2 HIS 28 -14.191 6.415 16.349
239 HE1 HIS 28 HE1 HIS 28 -16.639 3.076 17.172
240 H MET 29 HN MET 29 -15.962 7.878 11.565
241 HA MET 29 HA MET 29 -18.644 8.812 10.645
242 1HB MET 29 HB2 MET 29 -16.271 10.502 11.473
243 2HB MET 29 HB1 MET 29 -17.594 11.133 10.491
244 1HG MET 29 HG2 MET 29 -18.999 9.935 12.482
245 2HG MET 29 HG1 MET 29 -17.550 10.412 13.366
246 1HE MET 29 HE3 MET 29 -20.648 11.149 13.430
247 2HE MET 29 HE2 MET 29 -21.046 12.817 13.024
248 3HE MET 29 HE1 MET 29 -20.898 11.618 11.742
249 H ALA 30 HN ALA 30 -18.783 9.084 8.430
250 HA ALA 30 HA ALA 30 -18.146 8.742 6.191
251 1HB ALA 30 HB2 ALA 30 -16.776 10.901 7.216
252 2HB ALA 30 HB1 ALA 30 -15.470 9.906 6.573
253 3HB ALA 30 HB3 ALA 30 -16.782 10.428 5.516
254 H ASN 31 HN ASN 31 -15.847 8.112 4.915
255 HA ASN 31 HA ASN 31 -14.658 5.841 6.446
256 1HB ASN 31 HB2 ASN 31 -15.556 5.673 3.557
257 2HB ASN 31 HB1 ASN 31 -14.907 4.363 4.543
258 1HD2 ASN 31 HD22 ASN 31 -18.197 3.487 5.433
259 2HD2 ASN 31 HD21 ASN 31 -16.692 2.987 4.827
260 H LYS 32 HN LYS 32 -12.510 6.284 6.521
261 HA LYS 32 HA LYS 32 -11.268 7.613 4.153
262 1HB LYS 32 HB2 LYS 32 -9.539 8.401 5.639
263 2HB LYS 32 HB1 LYS 32 -11.089 8.746 6.408
264 1HG LYS 32 HG2 LYS 32 -10.129 7.717 8.204
265 2HG LYS 32 HG1 LYS 32 -10.621 6.246 7.364
266 1HD LYS 32 HD2 LYS 32 -8.451 5.947 6.413
267 2HD LYS 32 HD1 LYS 32 -7.947 7.573 6.878
268 1HE LYS 32 HE2 LYS 32 -8.801 6.295 9.254
269 2HE LYS 32 HE1 LYS 32 -7.783 5.133 8.403
270 1HZ LYS 32 HZ2 LYS 32 -6.847 7.893 8.502
271 2HZ LYS 32 HZ1 LYS 32 -6.791 7.014 9.955
272 3HZ LYS 32 HZ3 LYS 32 -5.967 6.442 8.587
273 H LEU 33 HN LEU 33 -9.692 6.522 3.032
274 HA LEU 33 HA LEU 33 -9.009 3.784 3.968
275 1HB LEU 33 HB2 LEU 33 -9.003 5.130 1.268
276 2HB LEU 33 HB1 LEU 33 -8.231 3.594 1.548
277 HG LEU 33 HG LEU 33 -11.038 4.164 1.114
278 1HD1 LEU 33 HD12 LEU 33 -9.244 2.309 0.314
279 2HD1 LEU 33 HD11 LEU 33 -10.068 1.400 1.582
280 3HD1 LEU 33 HD13 LEU 33 -10.987 2.059 0.229
281 1HD2 LEU 33 HD21 LEU 33 -10.348 2.559 3.598
282 2HD2 LEU 33 HD23 LEU 33 -11.238 4.081 3.564
283 3HD2 LEU 33 HD22 LEU 33 -11.942 2.632 2.848
284 H GLU 34 HN GLU 34 -6.680 3.234 2.850
285 HA GLU 34 HA GLU 34 -4.808 5.444 2.974
286 1HB GLU 34 HB2 GLU 34 -5.463 4.366 5.408
287 2HB GLU 34 HB1 GLU 34 -4.049 3.422 4.958
288 1HG GLU 34 HG2 GLU 34 -2.663 5.310 4.846
289 2HG GLU 34 HG1 GLU 34 -4.026 6.415 4.661
290 H PHE 35 HN PHE 35 -2.591 3.823 3.681
291 HA PHE 35 HA PHE 35 -2.578 1.645 1.665
292 1HB PHE 35 HB2 PHE 35 -0.821 4.099 1.660
293 2HB PHE 35 HB1 PHE 35 -0.254 2.584 0.956
294 HD1 PHE 35 HD2 PHE 35 -2.366 1.379 -0.425
295 HD2 PHE 35 HD1 PHE 35 -1.640 5.584 0.068
296 HE1 PHE 35 HE2 PHE 35 -3.669 1.846 -2.483
297 HE2 PHE 35 HE1 PHE 35 -2.942 6.051 -1.990
298 HZ PHE 35 HZ PHE 35 -3.957 4.181 -3.266
299 HA PRO 36 HA PRO 36 -0.488 -0.435 4.910
300 1HB PRO 36 HB2 PRO 36 1.113 -1.971 3.057
301 2HB PRO 36 HB1 PRO 36 -0.306 -2.491 3.976
302 1HG PRO 36 HG2 PRO 36 -0.157 -1.961 1.152
303 2HG PRO 36 HG1 PRO 36 -1.579 -2.442 2.088
304 1HD PRO 36 HD2 PRO 36 -1.016 0.141 0.939
305 2HD PRO 36 HD1 PRO 36 -2.437 -0.346 1.883
306 H GLY 37 HN GLY 37 2.265 -1.451 4.427
307 1HA GLY 37 HA2 GLY 37 4.246 0.134 3.534
308 2HA GLY 37 HA1 GLY 37 3.655 1.115 4.865
309 H GLY 38 HN GLY 38 5.587 0.885 6.070
310 1HA GLY 38 HA2 GLY 38 5.880 -0.761 8.141
311 2HA GLY 38 HA1 GLY 38 6.405 -1.852 6.856
312 H LYS 39 HN LYS 39 8.250 -1.139 5.524
313 HA LYS 39 HA LYS 39 9.831 1.146 6.071
314 1HB LYS 39 HB2 LYS 39 9.941 -0.242 8.300
315 2HB LYS 39 HB1 LYS 39 11.083 -1.239 7.400
316 1HG LYS 39 HG2 LYS 39 12.594 0.544 7.096
317 2HG LYS 39 HG1 LYS 39 11.370 1.761 7.466
318 1HD LYS 39 HD2 LYS 39 11.798 -0.161 9.646
319 2HD LYS 39 HD1 LYS 39 13.229 0.797 9.261
320 1HE LYS 39 HE2 LYS 39 12.166 2.220 10.755
321 2HE LYS 39 HE1 LYS 39 11.487 2.793 9.232
322 1HZ LYS 39 HZ3 LYS 39 9.613 1.240 9.602
323 2HZ LYS 39 HZ2 LYS 39 10.245 0.887 11.138
324 3HZ LYS 39 HZ1 LYS 39 9.717 2.460 10.774
325 H ILE 40 HN ILE 40 11.323 1.292 4.451
326 HA ILE 40 HA ILE 40 12.035 -1.235 3.016
327 HB ILE 40 HB ILE 40 10.506 0.162 1.679
328 1HG1 ILE 40 HG12 ILE 40 13.379 0.247 0.702
329 2HG1 ILE 40 HG11 ILE 40 12.269 -1.112 0.516
330 1HG2 ILE 40 HG23 ILE 40 12.190 2.263 2.749
331 2HG2 ILE 40 HG22 ILE 40 12.123 2.360 0.990
332 3HG2 ILE 40 HG21 ILE 40 10.633 2.396 1.932
333 1HD1 ILE 40 HD13 ILE 40 10.716 0.722 -0.591
334 2HD1 ILE 40 HD12 ILE 40 12.249 1.551 -0.858
335 3HD1 ILE 40 HD11 ILE 40 11.987 -0.057 -1.533
336 H GLU 41 HN GLU 41 13.891 -1.147 4.606
337 HA GLU 41 HA GLU 41 15.966 0.827 3.742
338 1HB GLU 41 HB2 GLU 41 16.035 -0.784 6.296
339 2HB GLU 41 HB1 GLU 41 16.925 0.689 5.910
340 1HG GLU 41 HG2 GLU 41 14.057 1.100 5.653
341 2HG GLU 41 HG1 GLU 41 14.476 0.532 7.268
342 H MET 42 HN MET 42 18.278 -0.255 4.303
343 HA MET 42 HA MET 42 19.824 -1.772 3.362
344 1HB MET 42 HB2 MET 42 18.134 -3.053 5.281
345 2HB MET 42 HB1 MET 42 18.464 -4.207 3.988
346 1HG MET 42 HG2 MET 42 20.931 -3.462 4.215
347 2HG MET 42 HG1 MET 42 20.436 -2.761 5.756
348 1HE MET 42 HE3 MET 42 19.153 -3.787 7.389
349 2HE MET 42 HE2 MET 42 18.142 -5.110 6.815
350 3HE MET 42 HE1 MET 42 19.406 -5.428 8.002
351 H GLY 43 HN GLY 43 19.288 -1.222 1.129
352 1HA GLY 43 HA2 GLY 43 18.805 -3.382 -0.573
353 2HA GLY 43 HA1 GLY 43 17.224 -2.640 -0.318
354 H GLU 44 HN GLU 44 19.684 -2.649 -2.451
355 HA GLU 44 HA GLU 44 19.775 0.263 -2.929
356 1HB GLU 44 HB2 GLU 44 21.616 -1.736 -3.301
357 2HB GLU 44 HB1 GLU 44 20.980 -1.526 -4.934
358 1HG GLU 44 HG2 GLU 44 22.155 0.622 -3.150
359 2HG GLU 44 HG1 GLU 44 22.838 0.000 -4.653
360 H THR 45 HN THR 45 17.828 -2.371 -3.881
361 HA THR 45 HA THR 45 16.875 -0.773 -6.200
362 HB THR 45 HB THR 45 17.645 -3.628 -6.012
363 HG1 THR 45 HG1 THR 45 17.813 -1.482 -7.683
364 1HG2 THR 45 HG21 THR 45 14.962 -2.820 -6.974
365 2HG2 THR 45 HG23 THR 45 15.887 -3.829 -8.076
366 3HG2 THR 45 HG22 THR 45 15.540 -4.389 -6.444
367 HA PRO 46 HA PRO 46 13.015 -0.731 -4.185
368 1HB PRO 46 HB2 PRO 46 11.453 -0.612 -6.525
369 2HB PRO 46 HB1 PRO 46 12.141 0.766 -5.656
370 1HG PRO 46 HG2 PRO 46 12.964 -0.376 -8.227
371 2HG PRO 46 HG1 PRO 46 13.452 1.144 -7.488
372 1HD PRO 46 HD2 PRO 46 15.010 -1.210 -7.704
373 2HD PRO 46 HD1 PRO 46 15.425 0.275 -6.833
374 H GLU 47 HN GLU 47 14.063 -3.496 -5.487
375 HA GLU 47 HA GLU 47 11.374 -4.788 -5.337
376 1HB GLU 47 HB2 GLU 47 13.309 -4.834 -7.450
377 2HB GLU 47 HB1 GLU 47 13.185 -6.453 -6.766
378 1HG GLU 47 HG2 GLU 47 10.893 -6.625 -7.243
379 2HG GLU 47 HG1 GLU 47 10.698 -4.877 -7.378
380 H GLN 48 HN GLN 48 14.818 -5.689 -5.190
381 HA GLN 48 HA GLN 48 14.655 -7.986 -3.674
382 1HB GLN 48 HB2 GLN 48 16.654 -6.001 -4.318
383 2HB GLN 48 HB1 GLN 48 16.871 -6.601 -2.674
384 1HG GLN 48 HG2 GLN 48 16.361 -8.909 -3.855
385 2HG GLN 48 HG1 GLN 48 17.000 -8.046 -5.254
386 1HE2 GLN 48 HE22 GLN 48 20.072 -9.397 -3.863
387 2HE2 GLN 48 HE21 GLN 48 18.799 -9.813 -4.906
388 H ALA 49 HN ALA 49 14.311 -4.749 -2.770
389 HA ALA 49 HA ALA 49 14.582 -5.077 0.045
390 1HB ALA 49 HB1 ALA 49 13.996 -2.939 -1.740
391 2HB ALA 49 HB3 ALA 49 12.745 -2.956 -0.496
392 3HB ALA 49 HB2 ALA 49 14.445 -2.836 -0.037
393 H VAL 50 HN VAL 50 11.546 -4.411 -1.709
394 HA VAL 50 HA VAL 50 9.978 -5.550 0.481
395 HB VAL 50 HB VAL 50 9.339 -3.542 -0.875
396 1HG1 VAL 50 HG12 VAL 50 9.703 -5.431 -2.987
397 2HG1 VAL 50 HG11 VAL 50 8.006 -4.955 -2.965
398 3HG1 VAL 50 HG13 VAL 50 9.261 -3.729 -3.121
399 1HG2 VAL 50 HG21 VAL 50 7.699 -5.849 -0.147
400 2HG2 VAL 50 HG23 VAL 50 7.442 -4.138 0.197
401 3HG2 VAL 50 HG22 VAL 50 6.945 -4.810 -1.357
402 H VAL 51 HN VAL 51 11.647 -7.049 -1.892
403 HA VAL 51 HA VAL 51 9.571 -8.933 -2.760
404 HB VAL 51 HB VAL 51 11.664 -8.188 -4.108
405 1HG1 VAL 51 HG13 VAL 51 12.903 -10.236 -2.255
406 2HG1 VAL 51 HG12 VAL 51 13.675 -9.551 -3.685
407 3HG1 VAL 51 HG11 VAL 51 13.293 -8.521 -2.311
408 1HG2 VAL 51 HG22 VAL 51 10.094 -10.311 -4.330
409 2HG2 VAL 51 HG21 VAL 51 11.523 -10.104 -5.343
410 3HG2 VAL 51 HG23 VAL 51 11.593 -11.150 -3.926
411 H ARG 52 HN ARG 52 12.354 -8.726 -0.728
412 HA ARG 52 HA ARG 52 12.212 -11.333 0.460
413 1HB ARG 52 HB2 ARG 52 13.791 -8.891 0.672
414 2HB ARG 52 HB1 ARG 52 13.455 -9.582 2.252
415 1HG ARG 52 HG2 ARG 52 14.706 -11.001 -0.111
416 2HG ARG 52 HG1 ARG 52 15.518 -10.546 1.386
417 1HD ARG 52 HD2 ARG 52 13.719 -11.997 2.564
418 2HD ARG 52 HD1 ARG 52 13.421 -12.673 0.962
419 HE ARG 52 HE ARG 52 15.402 -13.689 2.505
420 1HH1 ARG 52 HH21 ARG 52 15.065 -13.346 -0.704
421 2HH1 ARG 52 HH22 ARG 52 16.744 -13.184 -1.099
422 1HH2 ARG 52 HH11 ARG 52 17.749 -12.731 2.187
423 2HH2 ARG 52 HH12 ARG 52 18.262 -12.837 0.536
424 H GLU 53 HN GLU 53 10.722 -8.176 1.066
425 HA GLU 53 HA GLU 53 9.818 -8.815 3.749
426 1HB GLU 53 HB2 GLU 53 8.761 -6.824 1.713
427 2HB GLU 53 HB1 GLU 53 8.264 -6.891 3.403
428 1HG GLU 53 HG2 GLU 53 10.740 -6.658 3.996
429 2HG GLU 53 HG1 GLU 53 11.003 -6.243 2.302
430 H LEU 54 HN LEU 54 8.716 -9.628 0.561
431 HA LEU 54 HA LEU 54 5.974 -10.168 1.149
432 1HB LEU 54 HB2 LEU 54 7.824 -10.675 -1.038
433 2HB LEU 54 HB1 LEU 54 6.715 -12.028 -0.789
434 HG LEU 54 HG LEU 54 5.908 -9.119 -1.095
435 1HD1 LEU 54 HD13 LEU 54 6.534 -11.097 -3.034
436 2HD1 LEU 54 HD12 LEU 54 4.780 -10.914 -3.032
437 3HD1 LEU 54 HD11 LEU 54 5.812 -9.511 -3.307
438 1HD2 LEU 54 HD23 LEU 54 4.570 -11.033 0.315
439 2HD2 LEU 54 HD22 LEU 54 3.770 -9.719 -0.548
440 3HD2 LEU 54 HD21 LEU 54 3.922 -11.306 -1.302
441 H GLN 55 HN GLN 55 8.832 -12.302 1.188
442 HA GLN 55 HA GLN 55 7.245 -14.485 2.320
443 1HB GLN 55 HB2 GLN 55 9.625 -15.504 2.609
444 2HB GLN 55 HB1 GLN 55 8.991 -15.292 0.978
445 1HG GLN 55 HG2 GLN 55 10.281 -13.317 0.625
446 2HG GLN 55 HG1 GLN 55 10.681 -13.186 2.338
447 1HE2 GLN 55 HE22 GLN 55 12.583 -16.102 0.135
448 2HE2 GLN 55 HE21 GLN 55 11.021 -15.614 -0.318
449 H GLU 56 HN GLU 56 9.386 -11.969 3.513
450 HA GLU 56 HA GLU 56 9.582 -13.153 6.185
451 1HB GLU 56 HB2 GLU 56 10.311 -10.372 5.224
452 2HB GLU 56 HB1 GLU 56 10.775 -11.086 6.769
453 1HG GLU 56 HG2 GLU 56 11.425 -12.615 4.289
454 2HG GLU 56 HG1 GLU 56 12.394 -11.186 4.648
455 H GLU 57 HN GLU 57 6.820 -12.582 5.215
456 HA GLU 57 HA GLU 57 5.948 -11.083 7.592
457 1HB GLU 57 HB2 GLU 57 5.732 -10.021 4.803
458 2HB GLU 57 HB1 GLU 57 4.411 -9.711 5.927
459 1HG GLU 57 HG2 GLU 57 7.329 -9.040 6.397
460 2HG GLU 57 HG1 GLU 57 6.051 -7.885 6.016
461 H VAL 58 HN VAL 58 4.679 -12.235 4.450
462 HA VAL 58 HA VAL 58 2.500 -13.634 5.966
463 HB VAL 58 HB VAL 58 1.285 -13.641 3.734
464 1HG1 VAL 58 HG13 VAL 58 1.523 -11.536 5.623
465 2HG1 VAL 58 HG12 VAL 58 1.436 -10.803 4.025
466 3HG1 VAL 58 HG11 VAL 58 0.163 -11.895 4.561
467 1HG2 VAL 58 HG21 VAL 58 3.717 -12.100 2.996
468 2HG2 VAL 58 HG23 VAL 58 2.744 -13.196 2.038
469 3HG2 VAL 58 HG22 VAL 58 2.189 -11.552 2.328
470 H GLY 59 HN GLY 59 4.542 -13.805 3.074
471 1HA GLY 59 HA2 GLY 59 5.853 -15.654 2.420
472 2HA GLY 59 HA1 GLY 59 4.954 -16.670 3.545
473 H ILE 60 HN ILE 60 3.589 -14.495 1.121
474 HA ILE 60 HA ILE 60 1.951 -16.686 0.065
475 HB ILE 60 HB ILE 60 1.518 -14.725 -1.747
476 1HG1 ILE 60 HG12 ILE 60 1.740 -13.010 0.660
477 2HG1 ILE 60 HG11 ILE 60 3.245 -13.349 -0.182
478 1HG2 ILE 60 HG23 ILE 60 0.339 -15.301 0.931
479 2HG2 ILE 60 HG22 ILE 60 -0.236 -13.889 0.045
480 3HG2 ILE 60 HG21 ILE 60 -0.362 -15.489 -0.674
481 1HD1 ILE 60 HD12 ILE 60 0.745 -12.347 -1.550
482 2HD1 ILE 60 HD11 ILE 60 2.044 -11.293 -0.991
483 3HD1 ILE 60 HD13 ILE 60 2.359 -12.490 -2.247
484 H THR 61 HN THR 61 1.897 -16.783 -2.485
485 HA THR 61 HA THR 61 4.740 -16.866 -3.401
486 HB THR 61 HB THR 61 2.523 -18.560 -4.552
487 HG1 THR 61 HG1 THR 61 3.056 -18.864 -2.202
488 1HG2 THR 61 HG23 THR 61 5.486 -18.320 -4.786
489 2HG2 THR 61 HG22 THR 61 4.770 -19.923 -4.957
490 3HG2 THR 61 HG21 THR 61 4.282 -18.617 -6.039
491 HA PRO 62 HA PRO 62 2.596 -13.591 -5.660
492 1HB PRO 62 HB2 PRO 62 5.097 -12.508 -6.411
493 2HB PRO 62 HB1 PRO 62 4.020 -11.960 -5.114
494 1HG PRO 62 HG2 PRO 62 6.557 -13.415 -4.878
495 2HG PRO 62 HG1 PRO 62 5.622 -12.602 -3.623
496 1HD PRO 62 HD2 PRO 62 5.837 -15.396 -4.012
497 2HD PRO 62 HD1 PRO 62 4.724 -14.558 -2.908
498 H GLN 63 HN GLN 63 1.901 -14.054 -7.645
499 HA GLN 63 HA GLN 63 3.465 -15.816 -9.395
500 1HB GLN 63 HB2 GLN 63 0.854 -14.552 -10.170
501 2HB GLN 63 HB1 GLN 63 1.465 -16.165 -10.543
502 1HG GLN 63 HG2 GLN 63 1.355 -16.488 -7.919
503 2HG GLN 63 HG1 GLN 63 0.196 -15.161 -8.006
504 1HE2 GLN 63 HE22 GLN 63 -0.820 -18.467 -10.241
505 2HE2 GLN 63 HE21 GLN 63 0.777 -17.894 -10.292
506 H HIS 64 HN HIS 64 2.423 -12.434 -9.296
507 HA HIS 64 HA HIS 64 4.534 -11.592 -11.042
508 1HB HIS 64 HB2 HIS 64 2.988 -12.792 -12.643
509 2HB HIS 64 HB1 HIS 64 1.783 -11.556 -12.298
510 HD1 HIS 64 HD1 HIS 64 5.177 -12.006 -13.889
511 HD2 HIS 64 HD2 HIS 64 2.266 -9.047 -13.493
512 HE1 HIS 64 HE1 HIS 64 5.837 -10.135 -15.465
513 H PHE 65 HN PHE 65 4.780 -9.855 -9.553
514 HA PHE 65 HA PHE 65 2.441 -7.999 -9.393
515 1HB PHE 65 HB2 PHE 65 3.736 -7.007 -7.422
516 2HB PHE 65 HB1 PHE 65 3.005 -8.581 -7.168
517 HD1 PHE 65 HD1 PHE 65 6.181 -6.824 -7.930
518 HD2 PHE 65 HD2 PHE 65 4.354 -10.528 -6.752
519 HE1 PHE 65 HE1 PHE 65 8.414 -7.745 -7.368
520 HE2 PHE 65 HE2 PHE 65 6.591 -11.449 -6.191
521 HZ PHE 65 HZ PHE 65 8.617 -10.058 -6.498
522 H SER 66 HN SER 66 3.308 -5.648 -9.005
523 HA SER 66 HA SER 66 5.817 -5.018 -10.361
524 1HB SER 66 HB2 SER 66 3.283 -4.092 -11.723
525 2HB SER 66 HB1 SER 66 4.939 -3.973 -12.315
526 HG SER 66 HG SER 66 4.010 -5.719 -13.313
527 H LEU 67 HN LEU 67 5.914 -2.511 -10.682
528 HA LEU 67 HA LEU 67 4.455 -1.263 -8.395
529 1HB LEU 67 HB2 LEU 67 6.857 -1.359 -7.940
530 2HB LEU 67 HB1 LEU 67 7.200 -0.592 -9.492
531 HG LEU 67 HG LEU 67 5.479 1.224 -8.504
532 1HD1 LEU 67 HD13 LEU 67 6.485 -0.357 -6.192
533 2HD1 LEU 67 HD12 LEU 67 6.465 1.397 -6.010
534 3HD1 LEU 67 HD11 LEU 67 4.973 0.532 -6.378
535 1HD2 LEU 67 HD21 LEU 67 8.398 0.901 -8.534
536 2HD2 LEU 67 HD23 LEU 67 7.415 2.282 -9.022
537 3HD2 LEU 67 HD22 LEU 67 7.835 2.055 -7.324
538 H PHE 68 HN PHE 68 2.887 0.049 -9.162
539 HA PHE 68 HA PHE 68 2.931 1.066 -11.858
540 1HB PHE 68 HB2 PHE 68 0.793 1.759 -11.405
541 2HB PHE 68 HB1 PHE 68 0.947 0.454 -10.267
542 HD1 PHE 68 HD2 PHE 68 1.007 4.141 -10.665
543 HD2 PHE 68 HD1 PHE 68 0.822 0.845 -7.919
544 HE1 PHE 68 HE2 PHE 68 0.395 5.699 -8.836
545 HE2 PHE 68 HE1 PHE 68 0.203 2.401 -6.092
546 HZ PHE 68 HZ PHE 68 -0.018 4.826 -6.552
547 H GLU 69 HN GLU 69 3.081 2.640 -8.683
548 HA GLU 69 HA GLU 69 5.174 4.434 -9.352
549 1HB GLU 69 HB2 GLU 69 2.535 5.206 -10.375
550 2HB GLU 69 HB1 GLU 69 3.287 6.453 -9.379
551 1HG GLU 69 HG2 GLU 69 5.123 5.142 -11.284
552 2HG GLU 69 HG1 GLU 69 3.829 6.075 -12.038
553 H LYS 70 HN LYS 70 5.663 5.858 -7.603
554 HA LYS 70 HA LYS 70 3.985 5.402 -5.192
555 1HB LYS 70 HB2 LYS 70 6.332 6.299 -4.208
556 2HB LYS 70 HB1 LYS 70 6.002 4.597 -4.494
557 1HG LYS 70 HG2 LYS 70 7.022 4.822 -6.759
558 2HG LYS 70 HG1 LYS 70 7.430 6.495 -6.376
559 1HD LYS 70 HD2 LYS 70 8.998 5.878 -4.743
560 2HD LYS 70 HD1 LYS 70 8.291 4.275 -4.533
561 1HE LYS 70 HE2 LYS 70 9.741 3.437 -6.041
562 2HE LYS 70 HE1 LYS 70 9.093 4.532 -7.266
563 1HZ LYS 70 HZ3 LYS 70 10.848 5.781 -5.343
564 2HZ LYS 70 HZ2 LYS 70 11.604 4.614 -6.320
565 3HZ LYS 70 HZ1 LYS 70 10.804 5.934 -7.031
566 H LEU 71 HN LEU 71 3.984 7.251 -3.629
567 HA LEU 71 HA LEU 71 4.028 9.865 -5.082
568 1HB LEU 71 HB2 LEU 71 2.394 10.514 -3.160
569 2HB LEU 71 HB1 LEU 71 1.782 9.506 -4.466
570 HG LEU 71 HG LEU 71 2.069 7.502 -3.131
571 1HD1 LEU 71 HD11 LEU 71 3.505 9.396 -1.295
572 2HD1 LEU 71 HD13 LEU 71 2.728 7.958 -0.634
573 3HD1 LEU 71 HD12 LEU 71 3.998 7.795 -1.846
574 1HD2 LEU 71 HD23 LEU 71 0.178 9.392 -2.674
575 2HD2 LEU 71 HD22 LEU 71 0.210 7.842 -1.833
576 3HD2 LEU 71 HD21 LEU 71 0.887 9.276 -1.065
577 H GLU 72 HN GLU 72 3.852 11.533 -2.835
578 HA GLU 72 HA GLU 72 6.230 10.799 -1.200
579 1HB GLU 72 HB2 GLU 72 5.925 13.627 -2.152
580 2HB GLU 72 HB1 GLU 72 7.388 12.754 -1.690
581 1HG GLU 72 HG2 GLU 72 7.338 11.455 -3.729
582 2HG GLU 72 HG1 GLU 72 5.761 12.113 -4.162
583 H TYR 73 HN TYR 73 6.330 11.963 0.829
584 HA TYR 73 HA TYR 73 4.015 13.597 1.633
585 1HB TYR 73 HB2 TYR 73 3.666 10.934 1.917
586 2HB TYR 73 HB1 TYR 73 4.528 11.269 3.419
587 HD1 TYR 73 HD1 TYR 73 3.467 14.219 3.572
588 HD2 TYR 73 HD2 TYR 73 1.564 10.405 3.039
589 HE1 TYR 73 HE1 TYR 73 1.380 15.121 4.564
590 HE2 TYR 73 HE2 TYR 73 -0.523 11.306 4.029
591 HH TYR 73 HH TYR 73 -0.740 14.710 5.076
592 H GLU 74 HN GLU 74 5.830 15.100 1.903
593 HA GLU 74 HA GLU 74 7.676 14.429 4.147
594 1HB GLU 74 HB2 GLU 74 8.816 15.175 2.151
595 2HB GLU 74 HB1 GLU 74 7.756 16.578 2.011
596 1HG GLU 74 HG2 GLU 74 8.919 16.570 4.633
597 2HG GLU 74 HG1 GLU 74 10.205 16.382 3.441
598 H PHE 75 HN PHE 75 6.990 15.080 6.079
599 HA PHE 75 HA PHE 75 5.089 17.290 6.373
600 1HB PHE 75 HB2 PHE 75 6.076 15.072 7.979
601 2HB PHE 75 HB1 PHE 75 6.089 16.570 8.902
602 HD1 PHE 75 HD2 PHE 75 3.777 15.951 6.095
603 HD2 PHE 75 HD1 PHE 75 4.227 15.982 10.366
604 HE1 PHE 75 HE2 PHE 75 1.315 15.800 6.354
605 HE2 PHE 75 HE1 PHE 75 1.765 15.831 10.626
606 HZ PHE 75 HZ PHE 75 0.310 15.741 8.620
607 HA PRO 76 HA PRO 76 7.841 20.532 7.401
608 1HB PRO 76 HB2 PRO 76 7.129 21.001 10.139
609 2HB PRO 76 HB1 PRO 76 6.558 21.866 8.706
610 1HG PRO 76 HG2 PRO 76 5.077 20.016 10.351
611 2HG PRO 76 HG1 PRO 76 4.511 20.893 8.923
612 1HD PRO 76 HD2 PRO 76 5.127 18.084 9.147
613 2HD PRO 76 HD1 PRO 76 4.537 18.960 7.722
614 H ASP 77 HN ASP 77 8.241 17.570 8.891
615 HA ASP 77 HA ASP 77 10.714 18.495 10.206
616 1HB ASP 77 HB2 ASP 77 8.754 17.602 11.685
617 2HB ASP 77 HB1 ASP 77 9.305 16.025 11.120
618 H ARG 78 HN ARG 78 9.236 15.532 8.914
619 HA ARG 78 HA ARG 78 11.935 14.780 7.915
620 1HB ARG 78 HB2 ARG 78 10.429 12.464 7.969
621 2HB ARG 78 HB1 ARG 78 11.596 12.958 9.185
622 1HG ARG 78 HG2 ARG 78 9.866 14.003 10.515
623 2HG ARG 78 HG1 ARG 78 8.666 13.711 9.256
624 1HD ARG 78 HD2 ARG 78 8.540 11.443 9.707
625 2HD ARG 78 HD1 ARG 78 10.183 11.369 10.339
626 HE ARG 78 HE ARG 78 8.029 11.490 12.021
627 1HH1 ARG 78 HH11 ARG 78 11.067 12.271 12.513
628 2HH1 ARG 78 HH12 ARG 78 10.826 13.697 13.465
629 1HH2 ARG 78 HH21 ARG 78 7.457 13.969 12.686
630 2HH2 ARG 78 HH22 ARG 78 8.782 14.659 13.564
631 H HIS 79 HN HIS 79 11.550 12.958 6.088
632 HA HIS 79 HA HIS 79 9.437 13.986 4.237
633 1HB HIS 79 HB2 HIS 79 11.989 12.971 3.078
634 2HB HIS 79 HB1 HIS 79 10.930 14.258 2.503
635 HD1 HIS 79 HD1 HIS 79 14.191 14.181 3.368
636 HD2 HIS 79 HD2 HIS 79 11.024 16.227 5.144
637 HE1 HIS 79 HE1 HIS 79 15.215 16.088 4.682
638 H ILE 80 HN ILE 80 8.060 12.223 4.558
639 HA ILE 80 HA ILE 80 9.181 9.490 4.283
640 HB ILE 80 HB ILE 80 6.340 10.303 4.927
641 1HG1 ILE 80 HG12 ILE 80 8.728 9.819 6.733
642 2HG1 ILE 80 HG11 ILE 80 7.777 11.298 6.601
643 1HG2 ILE 80 HG21 ILE 80 6.766 7.951 4.164
644 2HG2 ILE 80 HG23 ILE 80 7.887 7.760 5.512
645 3HG2 ILE 80 HG22 ILE 80 6.174 8.047 5.824
646 1HD1 ILE 80 HD13 ILE 80 5.770 9.712 7.235
647 2HD1 ILE 80 HD12 ILE 80 7.047 8.688 7.889
648 3HD1 ILE 80 HD11 ILE 80 6.834 10.328 8.498
649 H THR 81 HN THR 81 8.965 8.337 2.416
650 HA THR 81 HA THR 81 6.984 9.334 0.401
651 HB THR 81 HB THR 81 9.418 7.684 -0.278
652 HG1 THR 81 HG1 THR 81 10.312 9.827 -0.813
653 1HG2 THR 81 HG23 THR 81 7.497 8.054 -1.896
654 2HG2 THR 81 HG22 THR 81 7.928 9.765 -1.886
655 3HG2 THR 81 HG21 THR 81 9.082 8.569 -2.476
656 H LEU 82 HN LEU 82 5.292 7.939 0.213
657 HA LEU 82 HA LEU 82 5.513 5.202 1.246
658 1HB LEU 82 HB2 LEU 82 3.421 7.051 0.827
659 2HB LEU 82 HB1 LEU 82 3.080 5.682 -0.231
660 HG LEU 82 HG LEU 82 3.824 4.350 1.997
661 1HD1 LEU 82 HD11 LEU 82 3.110 7.109 2.809
662 2HD1 LEU 82 HD13 LEU 82 2.330 5.822 3.730
663 3HD1 LEU 82 HD12 LEU 82 4.089 5.906 3.649
664 1HD2 LEU 82 HD23 LEU 82 1.541 4.645 0.549
665 2HD2 LEU 82 HD22 LEU 82 1.631 3.687 2.028
666 3HD2 LEU 82 HD21 LEU 82 1.030 5.344 2.084
667 H TRP 83 HN TRP 83 5.873 3.385 0.028
668 HA TRP 83 HA TRP 83 5.820 3.691 -2.930
669 1HB TRP 83 HB2 TRP 83 8.042 3.381 -2.685
670 2HB TRP 83 HB1 TRP 83 7.883 2.873 -1.027
671 HD1 TRP 83 HD1 TRP 83 7.249 0.273 -0.625
672 HE1 TRP 83 HE1 TRP 83 7.940 -1.818 -1.984
673 HE3 TRP 83 HE3 TRP 83 8.612 2.491 -4.998
674 HZ2 TRP 83 HZ2 TRP 83 8.948 -2.439 -4.593
675 HZ3 TRP 83 HZ3 TRP 83 9.442 1.136 -6.904
676 HH2 TRP 83 HH2 TRP 83 9.607 -1.327 -6.704
677 H PHE 84 HN PHE 84 4.089 2.453 -3.704
678 HA PHE 84 HA PHE 84 3.689 -0.174 -2.356
679 1HB PHE 84 HB2 PHE 84 1.298 0.351 -3.583
680 2HB PHE 84 HB1 PHE 84 1.614 0.559 -1.868
681 HD1 PHE 84 HD1 PHE 84 2.290 2.430 -5.063
682 HD2 PHE 84 HD2 PHE 84 0.927 2.589 -0.993
683 HE1 PHE 84 HE1 PHE 84 1.804 4.847 -5.319
684 HE2 PHE 84 HE2 PHE 84 0.449 5.007 -1.246
685 HZ PHE 84 HZ PHE 84 0.876 6.133 -3.410
686 H TRP 85 HN TRP 85 4.365 -1.731 -3.697
687 HA TRP 85 HA TRP 85 4.380 -1.286 -6.597
688 1HB TRP 85 HB2 TRP 85 5.407 -3.535 -6.726
689 2HB TRP 85 HB1 TRP 85 6.267 -2.485 -5.604
690 HD1 TRP 85 HD1 TRP 85 3.340 -3.276 -3.728
691 HE1 TRP 85 HE1 TRP 85 3.676 -5.319 -2.195
692 HE3 TRP 85 HE3 TRP 85 7.570 -5.248 -5.802
693 HZ2 TRP 85 HZ2 TRP 85 5.498 -7.497 -1.886
694 HZ3 TRP 85 HZ3 TRP 85 8.586 -7.305 -4.867
695 HH2 TRP 85 HH2 TRP 85 7.558 -8.432 -2.912
696 H LEU 86 HN LEU 86 2.115 -1.135 -7.025
697 HA LEU 86 HA LEU 86 0.057 -2.800 -6.237
698 1HB LEU 86 HB2 LEU 86 0.554 -0.978 -8.393
699 2HB LEU 86 HB1 LEU 86 -0.256 -2.401 -9.041
700 HG LEU 86 HG LEU 86 -2.116 -2.143 -7.577
701 1HD1 LEU 86 HD13 LEU 86 -0.202 -1.047 -5.796
702 2HD1 LEU 86 HD12 LEU 86 -1.394 0.215 -6.085
703 3HD1 LEU 86 HD11 LEU 86 -1.909 -1.356 -5.486
704 1HD2 LEU 86 HD21 LEU 86 -1.442 -0.173 -9.360
705 2HD2 LEU 86 HD23 LEU 86 -2.990 -0.280 -8.522
706 3HD2 LEU 86 HD22 LEU 86 -1.714 0.755 -7.885
707 H VAL 87 HN VAL 87 0.230 -4.963 -6.049
708 HA VAL 87 HA VAL 87 1.802 -6.541 -7.931
709 HB VAL 87 HB VAL 87 1.155 -8.401 -6.516
710 1HG1 VAL 87 HG11 VAL 87 2.459 -6.041 -5.637
711 2HG1 VAL 87 HG13 VAL 87 1.517 -6.662 -4.281
712 3HG1 VAL 87 HG12 VAL 87 2.713 -7.691 -5.069
713 1HG2 VAL 87 HG21 VAL 87 -1.102 -6.700 -5.975
714 2HG2 VAL 87 HG23 VAL 87 -0.887 -8.407 -5.590
715 3HG2 VAL 87 HG22 VAL 87 -0.330 -7.173 -4.460
716 H GLU 88 HN GLU 88 0.659 -8.660 -8.756
717 HA GLU 88 HA GLU 88 -2.047 -7.942 -9.803
718 1HB GLU 88 HB2 GLU 88 -0.004 -9.456 -11.430
719 2HB GLU 88 HB1 GLU 88 -1.479 -8.667 -11.985
720 1HG GLU 88 HG2 GLU 88 0.353 -6.828 -10.618
721 2HG GLU 88 HG1 GLU 88 1.052 -7.552 -12.066
722 H ARG 89 HN ARG 89 0.008 -10.360 -8.405
723 HA ARG 89 HA ARG 89 -2.267 -12.146 -8.089
724 1HB ARG 89 HB2 ARG 89 -0.031 -12.765 -10.006
725 2HB ARG 89 HB1 ARG 89 -0.825 -14.075 -9.136
726 1HG ARG 89 HG2 ARG 89 -2.077 -12.099 -11.049
727 2HG ARG 89 HG1 ARG 89 -1.999 -13.852 -11.201
728 1HD ARG 89 HD2 ARG 89 -3.275 -13.791 -8.892
729 2HD ARG 89 HD1 ARG 89 -3.745 -12.184 -9.436
730 HE ARG 89 HE ARG 89 -5.101 -14.401 -10.285
731 1HH1 ARG 89 HH21 ARG 89 -3.602 -15.165 -12.508
732 2HH1 ARG 89 HH22 ARG 89 -4.017 -14.059 -13.776
733 1HH2 ARG 89 HH11 ARG 89 -5.363 -11.690 -11.628
734 2HH2 ARG 89 HH12 ARG 89 -5.016 -12.091 -13.276
735 H TRP 90 HN TRP 90 -1.458 -14.258 -7.013
736 HA TRP 90 HA TRP 90 1.041 -14.526 -5.785
737 1HB TRP 90 HB2 TRP 90 0.770 -13.715 -3.544
738 2HB TRP 90 HB1 TRP 90 0.448 -12.383 -4.625
739 HD1 TRP 90 HD1 TRP 90 -1.183 -14.687 -2.129
740 HE1 TRP 90 HE1 TRP 90 -3.573 -13.871 -1.624
741 HE3 TRP 90 HE3 TRP 90 -1.655 -11.057 -5.690
742 HZ2 TRP 90 HZ2 TRP 90 -5.436 -11.949 -2.591
743 HZ3 TRP 90 HZ3 TRP 90 -3.751 -9.752 -5.868
744 HH2 TRP 90 HH2 TRP 90 -5.641 -10.189 -4.329
745 H GLU 91 HN GLU 91 0.755 -15.771 -3.588
746 HA GLU 91 HA GLU 91 -1.596 -17.589 -3.842
747 1HB GLU 91 HB2 GLU 91 0.701 -18.335 -4.854
748 2HB GLU 91 HB1 GLU 91 1.119 -18.643 -3.169
749 1HG GLU 91 HG2 GLU 91 -1.388 -19.721 -3.328
750 2HG GLU 91 HG1 GLU 91 -0.749 -20.066 -4.934
751 H GLY 92 HN GLY 92 -2.653 -17.260 -1.902
752 1HA GLY 92 HA2 GLY 92 -2.624 -18.055 0.463
753 2HA GLY 92 HA1 GLY 92 -0.980 -17.433 0.574
754 H GLU 93 HN GLU 93 -1.699 -16.152 2.415
755 HA GLU 93 HA GLU 93 -3.465 -13.849 1.707
756 1HB GLU 93 HB2 GLU 93 -3.168 -15.507 4.058
757 2HB GLU 93 HB1 GLU 93 -2.868 -13.818 4.468
758 1HG GLU 93 HG2 GLU 93 -5.010 -13.278 3.169
759 2HG GLU 93 HG1 GLU 93 -5.336 -15.013 3.200
760 HA PRO 94 HA PRO 94 0.613 -11.904 1.526
761 1HB PRO 94 HB2 PRO 94 -0.546 -9.584 0.448
762 2HB PRO 94 HB1 PRO 94 0.294 -10.845 -0.438
763 1HG PRO 94 HG2 PRO 94 -2.560 -10.278 -0.406
764 2HG PRO 94 HG1 PRO 94 -1.684 -11.442 -1.410
765 1HD PRO 94 HD2 PRO 94 -3.382 -12.009 0.833
766 2HD PRO 94 HD1 PRO 94 -2.427 -13.166 -0.118
767 H TRP 95 HN TRP 95 1.011 -9.260 1.925
768 HA TRP 95 HA TRP 95 -0.476 -8.517 4.391
769 1HB TRP 95 HB2 TRP 95 1.801 -7.706 5.277
770 2HB TRP 95 HB1 TRP 95 1.521 -9.440 5.304
771 HD1 TRP 95 HD1 TRP 95 3.341 -10.823 4.334
772 HE1 TRP 95 HE1 TRP 95 5.304 -10.510 2.722
773 HE3 TRP 95 HE3 TRP 95 2.522 -5.989 2.921
774 HZ2 TRP 95 HZ2 TRP 95 6.393 -8.429 1.032
775 HZ3 TRP 95 HZ3 TRP 95 4.032 -4.876 1.310
776 HH2 TRP 95 HH2 TRP 95 5.956 -6.095 0.371
777 H GLY 96 HN GLY 96 0.840 -6.220 4.969
778 1HA GLY 96 HA2 GLY 96 1.282 -4.629 2.583
779 2HA GLY 96 HA1 GLY 96 -0.223 -4.266 3.397
780 H LYS 97 HN LYS 97 -0.044 -3.696 5.707
781 HA LYS 97 HA LYS 97 2.280 -1.961 6.184
782 1HB LYS 97 HB2 LYS 97 -0.236 -1.437 6.675
783 2HB LYS 97 HB1 LYS 97 0.036 -2.385 8.139
784 1HG LYS 97 HG2 LYS 97 1.348 -0.793 9.078
785 2HG LYS 97 HG1 LYS 97 2.139 -0.409 7.549
786 1HD LYS 97 HD2 LYS 97 -0.581 0.401 7.322
787 2HD LYS 97 HD1 LYS 97 0.024 1.016 8.861
788 1HE LYS 97 HE2 LYS 97 1.856 2.140 7.786
789 2HE LYS 97 HE1 LYS 97 1.528 1.335 6.251
790 1HZ LYS 97 HZ2 LYS 97 -0.773 2.446 6.497
791 2HZ LYS 97 HZ1 LYS 97 0.023 3.490 7.576
792 3HZ LYS 97 HZ3 LYS 97 0.543 3.381 5.966
793 H GLU 98 HN GLU 98 2.900 -2.007 8.722
794 HA GLU 98 HA GLU 98 3.922 -4.746 9.166
795 1HB GLU 98 HB2 GLU 98 5.312 -2.553 9.321
796 2HB GLU 98 HB1 GLU 98 4.537 -2.353 10.892
797 1HG GLU 98 HG2 GLU 98 5.282 -4.896 11.179
798 2HG GLU 98 HG1 GLU 98 6.503 -4.417 9.998
799 H GLY 99 HN GLY 99 1.832 -2.340 10.721
800 1HA GLY 99 HA2 GLY 99 0.835 -4.521 12.487
801 2HA GLY 99 HA1 GLY 99 1.321 -2.992 13.218
802 H GLN 100 HN GLN 100 0.024 -2.495 10.132
803 HA GLN 100 HA GLN 100 -2.489 -1.509 11.358
804 1HB GLN 100 HB2 GLN 100 -1.140 0.059 9.992
805 2HB GLN 100 HB1 GLN 100 -1.322 -1.016 8.606
806 1HG GLN 100 HG2 GLN 100 -3.320 -0.120 8.136
807 2HG GLN 100 HG1 GLN 100 -3.905 -0.536 9.747
808 1HE2 GLN 100 HE22 GLN 100 -3.755 3.260 9.113
809 2HE2 GLN 100 HE21 GLN 100 -4.268 2.012 8.085
810 HA PRO 101 HA PRO 101 -4.275 -5.295 9.664
811 1HB PRO 101 HB2 PRO 101 -6.834 -4.379 10.582
812 2HB PRO 101 HB1 PRO 101 -5.814 -5.629 11.305
813 1HG PRO 101 HG2 PRO 101 -6.315 -2.943 12.279
814 2HG PRO 101 HG1 PRO 101 -5.380 -4.232 13.051
815 1HD PRO 101 HD2 PRO 101 -4.363 -1.856 11.826
816 2HD PRO 101 HD1 PRO 101 -3.424 -3.212 12.481
817 H GLY 102 HN GLY 102 -4.777 -5.327 7.492
818 1HA GLY 102 HA2 GLY 102 -6.108 -2.940 6.341
819 2HA GLY 102 HA1 GLY 102 -5.244 -4.161 5.415
820 H GLU 103 HN GLU 103 -7.779 -3.456 4.531
821 HA GLU 103 HA GLU 103 -9.370 -5.846 5.395
822 1HB GLU 103 HB2 GLU 103 -11.415 -4.564 5.109
823 2HB GLU 103 HB1 GLU 103 -10.348 -3.698 6.214
824 1HG GLU 103 HG2 GLU 103 -9.509 -2.420 4.157
825 2HG GLU 103 HG1 GLU 103 -10.899 -3.096 3.307
826 H TRP 104 HN TRP 104 -10.685 -6.800 3.740
827 HA TRP 104 HA TRP 104 -9.511 -6.455 1.038
828 1HB TRP 104 HB2 TRP 104 -11.473 -8.520 1.023
829 2HB TRP 104 HB1 TRP 104 -9.723 -8.695 0.935
830 HD1 TRP 104 HD1 TRP 104 -8.414 -9.205 3.190
831 HE1 TRP 104 HE1 TRP 104 -9.190 -10.163 5.454
832 HE3 TRP 104 HE3 TRP 104 -13.460 -8.589 2.722
833 HZ2 TRP 104 HZ2 TRP 104 -11.631 -10.605 6.879
834 HZ3 TRP 104 HZ3 TRP 104 -14.987 -9.282 4.549
835 HH2 TRP 104 HH2 TRP 104 -14.078 -10.288 6.625
836 H MET 105 HN MET 105 -10.532 -4.783 -0.010
837 HA MET 105 HA MET 105 -13.471 -4.505 0.237
838 1HB MET 105 HB2 MET 105 -11.374 -2.677 -0.103
839 2HB MET 105 HB1 MET 105 -12.192 -2.711 -1.666
840 1HG MET 105 HG2 MET 105 -14.166 -1.885 -0.807
841 2HG MET 105 HG1 MET 105 -13.900 -2.609 0.779
842 1HE MET 105 HE2 MET 105 -11.577 -2.121 1.870
843 2HE MET 105 HE1 MET 105 -11.218 -0.478 2.394
844 3HE MET 105 HE3 MET 105 -12.748 -1.243 2.850
845 H SER 106 HN SER 106 -14.661 -4.102 -1.916
846 HA SER 106 HA SER 106 -13.634 -6.046 -3.947
847 1HB SER 106 HB2 SER 106 -15.694 -6.811 -2.812
848 2HB SER 106 HB1 SER 106 -16.506 -5.321 -3.282
849 HG SER 106 HG SER 106 -15.577 -6.162 -5.498
850 H LEU 107 HN LEU 107 -12.535 -3.834 -4.576
851 HA LEU 107 HA LEU 107 -12.465 -1.970 -6.013
852 1HB LEU 107 HB2 LEU 107 -13.351 -4.189 -7.391
853 2HB LEU 107 HB1 LEU 107 -14.599 -2.996 -7.759
854 HG LEU 107 HG LEU 107 -12.758 -1.378 -8.360
855 1HD1 LEU 107 HD11 LEU 107 -11.080 -2.909 -7.017
856 2HD1 LEU 107 HD13 LEU 107 -10.938 -3.756 -8.558
857 3HD1 LEU 107 HD12 LEU 107 -10.527 -2.044 -8.452
858 1HD2 LEU 107 HD23 LEU 107 -14.020 -3.112 -9.927
859 2HD2 LEU 107 HD22 LEU 107 -12.678 -2.152 -10.551
860 3HD2 LEU 107 HD21 LEU 107 -12.411 -3.824 -10.058
861 H VAL 108 HN VAL 108 -13.844 -1.117 -3.954
862 HA VAL 108 HA VAL 108 -16.405 -0.023 -5.052
863 HB VAL 108 HB VAL 108 -15.656 -0.318 -2.132
864 1HG1 VAL 108 HG12 VAL 108 -17.630 1.184 -3.399
865 2HG1 VAL 108 HG11 VAL 108 -18.475 -0.281 -2.900
866 3HG1 VAL 108 HG13 VAL 108 -17.628 0.699 -1.703
867 1HG2 VAL 108 HG22 VAL 108 -16.517 -2.301 -4.066
868 2HG2 VAL 108 HG21 VAL 108 -16.081 -2.522 -2.370
869 3HG2 VAL 108 HG23 VAL 108 -17.736 -2.095 -2.807
870 H GLY 109 HN GLY 109 -14.270 0.925 -2.347
871 1HA GLY 109 HA2 GLY 109 -14.375 3.712 -3.392
872 2HA GLY 109 HA1 GLY 109 -13.956 3.259 -1.738
873 H LEU 110 HN LEU 110 -12.625 1.600 -4.547
874 HA LEU 110 HA LEU 110 -9.953 1.935 -3.657
875 1HB LEU 110 HB2 LEU 110 -9.915 0.143 -5.017
876 2HB LEU 110 HB1 LEU 110 -11.482 0.556 -5.668
877 HG LEU 110 HG LEU 110 -10.376 2.181 -7.190
878 1HD1 LEU 110 HD11 LEU 110 -8.139 1.615 -5.535
879 2HD1 LEU 110 HD13 LEU 110 -7.751 0.991 -7.139
880 3HD1 LEU 110 HD12 LEU 110 -8.192 2.687 -6.934
881 1HD2 LEU 110 HD23 LEU 110 -9.794 -0.769 -7.280
882 2HD2 LEU 110 HD22 LEU 110 -10.925 0.167 -8.257
883 3HD2 LEU 110 HD21 LEU 110 -9.192 0.279 -8.564
884 H ASN 111 HN ASN 111 -12.068 3.861 -5.544
885 HA ASN 111 HA ASN 111 -9.981 5.344 -6.950
886 1HB ASN 111 HB2 ASN 111 -12.864 5.204 -6.983
887 2HB ASN 111 HB1 ASN 111 -12.350 6.885 -6.858
888 1HD2 ASN 111 HD22 ASN 111 -12.377 5.810 -10.482
889 2HD2 ASN 111 HD21 ASN 111 -13.548 5.761 -9.254
890 H ALA 112 HN ALA 112 -10.316 7.933 -6.641
891 HA ALA 112 HA ALA 112 -9.221 8.512 -4.042
892 1HB ALA 112 HB3 ALA 112 -9.418 9.834 -6.505
893 2HB ALA 112 HB2 ALA 112 -10.337 10.838 -5.384
894 3HB ALA 112 HB1 ALA 112 -8.651 10.450 -5.042
895 H ASP 113 HN ASP 113 -12.393 7.954 -5.016
896 HA ASP 113 HA ASP 113 -13.861 9.909 -3.567
897 1HB ASP 113 HB2 ASP 113 -14.603 8.045 -5.273
898 2HB ASP 113 HB1 ASP 113 -14.830 7.085 -3.815
899 H ASP 114 HN ASP 114 -13.015 6.558 -2.627
900 HA ASP 114 HA ASP 114 -13.738 7.200 0.165
901 1HB ASP 114 HB2 ASP 114 -14.257 4.977 -1.071
902 2HB ASP 114 HB1 ASP 114 -12.564 4.585 -0.762
903 H PHE 115 HN PHE 115 -10.990 7.460 -1.763
904 HA PHE 115 HA PHE 115 -9.123 6.793 0.424
905 1HB PHE 115 HB2 PHE 115 -8.896 7.263 -2.464
906 2HB PHE 115 HB1 PHE 115 -7.592 7.995 -1.524
907 HD1 PHE 115 HD1 PHE 115 -9.328 4.831 -2.324
908 HD2 PHE 115 HD2 PHE 115 -5.994 6.633 -0.300
909 HE1 PHE 115 HE1 PHE 115 -8.320 2.592 -1.997
910 HE2 PHE 115 HE2 PHE 115 -4.984 4.391 0.024
911 HZ PHE 115 HZ PHE 115 -6.152 2.372 -0.820
912 HA PRO 116 HA PRO 116 -9.112 10.872 2.033
913 1HB PRO 116 HB2 PRO 116 -6.531 10.593 3.198
914 2HB PRO 116 HB1 PRO 116 -8.087 10.312 3.981
915 1HG PRO 116 HG2 PRO 116 -6.110 8.357 3.241
916 2HG PRO 116 HG1 PRO 116 -7.685 8.072 3.993
917 1HD PRO 116 HD2 PRO 116 -6.884 7.605 1.229
918 2HD PRO 116 HD1 PRO 116 -8.388 7.143 2.040
919 HA PRO 117 HA PRO 117 -6.850 13.491 -0.667
920 1HB PRO 117 HB2 PRO 117 -6.125 15.397 1.364
921 2HB PRO 117 HB1 PRO 117 -7.441 15.510 0.187
922 1HG PRO 117 HG2 PRO 117 -7.651 15.015 3.024
923 2HG PRO 117 HG1 PRO 117 -8.962 15.142 1.845
924 1HD PRO 117 HD2 PRO 117 -8.006 12.765 3.153
925 2HD PRO 117 HD1 PRO 117 -9.297 12.893 1.941
926 H ALA 118 HN ALA 118 -4.630 14.883 -0.536
927 HA ALA 118 HA ALA 118 -2.300 14.879 -0.180
928 1HB ALA 118 HB2 ALA 118 -3.319 13.902 2.220
929 2HB ALA 118 HB1 ALA 118 -2.173 12.659 1.717
930 3HB ALA 118 HB3 ALA 118 -1.636 14.328 1.909
931 H ASN 119 HN ASN 119 -4.157 12.375 -1.335
932 HA ASN 119 HA ASN 119 -1.733 10.910 -2.262
933 1HB ASN 119 HB2 ASN 119 -4.169 9.982 -0.912
934 2HB ASN 119 HB1 ASN 119 -3.797 9.098 -2.382
935 1HD2 ASN 119 HD22 ASN 119 -1.087 8.977 0.708
936 2HD2 ASN 119 HD21 ASN 119 -2.130 10.308 0.570
937 H GLU 120 HN GLU 120 -2.899 13.084 -3.645
938 HA GLU 120 HA GLU 120 -4.773 12.165 -5.635
939 1HB GLU 120 HB2 GLU 120 -2.981 14.592 -5.803
940 2HB GLU 120 HB1 GLU 120 -4.532 14.341 -6.605
941 1HG GLU 120 HG2 GLU 120 -5.681 14.312 -4.443
942 2HG GLU 120 HG1 GLU 120 -4.142 14.476 -3.599
943 HA PRO 121 HA PRO 121 -0.714 12.254 -8.356
944 1HB PRO 121 HB2 PRO 121 1.372 11.198 -6.670
945 2HB PRO 121 HB1 PRO 121 1.312 12.760 -7.496
946 1HG PRO 121 HG2 PRO 121 1.057 12.288 -4.688
947 2HG PRO 121 HG1 PRO 121 0.873 13.830 -5.536
948 1HD PRO 121 HD2 PRO 121 -1.190 12.153 -4.362
949 2HD PRO 121 HD1 PRO 121 -1.359 13.775 -5.063
950 H VAL 122 HN VAL 122 -1.220 9.801 -5.797
951 HA VAL 122 HA VAL 122 -0.537 7.715 -7.792
952 HB VAL 122 HB VAL 122 -0.982 6.297 -5.582
953 1HG1 VAL 122 HG12 VAL 122 1.462 7.921 -6.298
954 2HG1 VAL 122 HG11 VAL 122 1.483 6.659 -5.071
955 3HG1 VAL 122 HG13 VAL 122 1.117 6.253 -6.746
956 1HG2 VAL 122 HG23 VAL 122 -1.663 8.402 -4.342
957 2HG2 VAL 122 HG22 VAL 122 -0.384 7.468 -3.575
958 3HG2 VAL 122 HG21 VAL 122 0.013 8.928 -4.479
959 H ILE 123 HN ILE 123 -3.110 8.521 -5.438
960 HA ILE 123 HA ILE 123 -4.991 6.572 -6.182
961 HB ILE 123 HB ILE 123 -5.516 9.477 -5.499
962 1HG1 ILE 123 HG12 ILE 123 -4.070 8.048 -3.918
963 2HG1 ILE 123 HG11 ILE 123 -5.500 8.808 -3.218
964 1HG2 ILE 123 HG22 ILE 123 -7.212 7.167 -6.073
965 2HG2 ILE 123 HG21 ILE 123 -7.539 7.873 -4.491
966 3HG2 ILE 123 HG23 ILE 123 -7.644 8.871 -5.939
967 1HD1 ILE 123 HD13 ILE 123 -5.546 5.992 -4.327
968 2HD1 ILE 123 HD12 ILE 123 -5.147 6.334 -2.645
969 3HD1 ILE 123 HD11 ILE 123 -6.737 6.761 -3.279
970 H ALA 124 HN ALA 124 -4.114 9.631 -7.711
971 HA ALA 124 HA ALA 124 -6.165 9.727 -9.675
972 1HB ALA 124 HB3 ALA 124 -3.285 10.666 -9.759
973 2HB ALA 124 HB2 ALA 124 -4.462 11.031 -11.021
974 3HB ALA 124 HB1 ALA 124 -4.710 11.634 -9.382
975 H LYS 125 HN LYS 125 -2.980 8.131 -9.712
976 HA LYS 125 HA LYS 125 -3.155 7.124 -12.374
977 1HB LYS 125 HB2 LYS 125 -1.686 6.050 -9.950
978 2HB LYS 125 HB1 LYS 125 -1.452 5.454 -11.594
979 1HG LYS 125 HG2 LYS 125 -1.067 7.999 -12.149
980 2HG LYS 125 HG1 LYS 125 -0.715 8.119 -10.425
981 1HD LYS 125 HD2 LYS 125 1.177 6.795 -10.576
982 2HD LYS 125 HD1 LYS 125 0.570 5.906 -11.973
983 1HE LYS 125 HE2 LYS 125 0.755 8.542 -12.874
984 2HE LYS 125 HE1 LYS 125 2.202 8.320 -11.892
985 1HZ LYS 125 HZ2 LYS 125 2.312 6.075 -13.189
986 2HZ LYS 125 HZ1 LYS 125 1.375 6.915 -14.330
987 3HZ LYS 125 HZ3 LYS 125 2.904 7.506 -13.890
988 H LEU 126 HN LEU 126 -4.178 5.754 -9.250
989 HA LEU 126 HA LEU 126 -4.958 3.200 -10.154
990 1HB LEU 126 HB2 LEU 126 -5.673 4.996 -7.908
991 2HB LEU 126 HB1 LEU 126 -6.761 3.663 -8.232
992 HG LEU 126 HG LEU 126 -5.055 2.038 -7.898
993 1HD1 LEU 126 HD12 LEU 126 -3.309 3.289 -9.186
994 2HD1 LEU 126 HD11 LEU 126 -3.062 4.322 -7.779
995 3HD1 LEU 126 HD13 LEU 126 -2.693 2.601 -7.683
996 1HD2 LEU 126 HD23 LEU 126 -5.507 4.118 -5.927
997 2HD2 LEU 126 HD22 LEU 126 -5.328 2.380 -5.684
998 3HD2 LEU 126 HD21 LEU 126 -3.901 3.415 -5.729
999 H LYS 127 HN LYS 127 -6.323 6.293 -10.818
1000 HA LYS 127 HA LYS 127 -9.045 5.671 -11.185
1001 1HB LYS 127 HB2 LYS 127 -7.224 7.553 -12.714
1002 2HB LYS 127 HB1 LYS 127 -8.975 7.559 -12.806
1003 1HG LYS 127 HG2 LYS 127 -8.167 7.570 -10.045
1004 2HG LYS 127 HG1 LYS 127 -7.370 8.888 -10.903
1005 1HD LYS 127 HD2 LYS 127 -9.500 9.729 -11.708
1006 2HD LYS 127 HD1 LYS 127 -10.347 8.333 -11.040
1007 1HE LYS 127 HE2 LYS 127 -9.447 9.042 -8.761
1008 2HE LYS 127 HE1 LYS 127 -8.957 10.552 -9.527
1009 1HZ LYS 127 HZ3 LYS 127 -11.614 9.944 -10.240
1010 2HZ LYS 127 HZ2 LYS 127 -11.466 9.885 -8.548
1011 3HZ LYS 127 HZ1 LYS 127 -11.025 11.290 -9.395
1012 H ARG 128 HN ARG 128 -6.380 5.598 -13.558
1013 HA ARG 128 HA ARG 128 -8.047 4.011 -15.369
1014 1HB ARG 128 HB2 ARG 128 -5.784 4.139 -16.712
1015 2HB ARG 128 HB1 ARG 128 -6.856 5.529 -16.660
1016 1HG ARG 128 HG2 ARG 128 -4.841 5.296 -14.481
1017 2HG ARG 128 HG1 ARG 128 -4.235 5.692 -16.086
1018 1HD ARG 128 HD2 ARG 128 -6.637 7.211 -15.425
1019 2HD ARG 128 HD1 ARG 128 -5.329 7.500 -14.277
1020 HE ARG 128 HE ARG 128 -4.089 7.686 -16.746
1021 1HH1 ARG 128 HH21 ARG 128 -6.720 8.593 -17.821
1022 2HH1 ARG 128 HH22 ARG 128 -6.654 10.304 -17.562
1023 1HH2 ARG 128 HH11 ARG 128 -4.042 10.125 -15.288
1024 2HH2 ARG 128 HH12 ARG 128 -5.137 11.171 -16.127
1025 H LEU 129 HN LEU 129 -6.485 3.245 -12.679
1026 HA LEU 129 HA LEU 129 -4.511 1.376 -13.030
1027 1HB LEU 129 HB2 LEU 129 -6.030 1.937 -10.936
1028 2HB LEU 129 HB1 LEU 129 -6.898 0.491 -11.444
1029 HG LEU 129 HG LEU 129 -4.464 -0.538 -11.583
1030 1HD1 LEU 129 HD12 LEU 129 -3.750 1.961 -10.810
1031 2HD1 LEU 129 HD11 LEU 129 -3.915 1.187 -9.233
1032 3HD1 LEU 129 HD13 LEU 129 -2.802 0.526 -10.431
1033 1HD2 LEU 129 HD23 LEU 129 -6.553 -0.540 -9.689
1034 2HD2 LEU 129 HD22 LEU 129 -5.255 -1.725 -9.835
1035 3HD2 LEU 129 HD21 LEU 129 -5.070 -0.342 -8.756
No H/Q in entry = 1035
Start of MODEL 3
1 1H MET 1 HT1 MET 1 13.126 14.057 12.533
2 2H MET 1 HT3 MET 1 12.453 15.613 12.586
3 3H MET 1 HT2 MET 1 11.484 14.286 12.156
4 HA MET 1 HA MET 1 11.929 14.699 10.043
5 1HB MET 1 HB2 MET 1 12.619 17.010 11.026
6 2HB MET 1 HB1 MET 1 14.271 16.455 10.753
7 1HG MET 1 HG2 MET 1 13.908 16.217 8.405
8 2HG MET 1 HG1 MET 1 12.161 16.375 8.588
9 1HE MET 1 HE2 MET 1 11.549 17.740 7.259
10 2HE MET 1 HE1 MET 1 11.076 19.222 8.086
11 3HE MET 1 HE3 MET 1 12.225 19.282 6.742
12 H LYS 2 HN LYS 2 12.944 12.374 10.967
13 HA LYS 2 HA LYS 2 15.504 12.153 9.460
14 1HB LYS 2 HB2 LYS 2 15.518 12.105 12.177
15 2HB LYS 2 HB1 LYS 2 15.231 10.398 11.837
16 1HG LYS 2 HG2 LYS 2 17.526 10.372 11.710
17 2HG LYS 2 HG1 LYS 2 17.189 10.856 10.047
18 1HD LYS 2 HD2 LYS 2 17.497 13.198 10.608
19 2HD LYS 2 HD1 LYS 2 17.656 12.807 12.321
20 1HE LYS 2 HE2 LYS 2 19.837 12.267 12.090
21 2HE LYS 2 HE1 LYS 2 19.511 11.269 10.673
22 1HZ LYS 2 HZ1 LYS 2 19.181 14.033 10.089
23 2HZ LYS 2 HZ3 LYS 2 20.733 13.729 10.706
24 3HZ LYS 2 HZ2 LYS 2 20.183 12.886 9.337
25 H LYS 3 HN LYS 3 12.418 11.346 9.447
26 HA LYS 3 HA LYS 3 12.836 8.458 8.844
27 1HB LYS 3 HB2 LYS 3 10.611 10.052 9.902
28 2HB LYS 3 HB1 LYS 3 10.124 8.952 8.612
29 1HG LYS 3 HG2 LYS 3 10.175 7.259 10.090
30 2HG LYS 3 HG1 LYS 3 11.913 7.504 10.256
31 1HD LYS 3 HD2 LYS 3 11.230 7.801 12.455
32 2HD LYS 3 HD1 LYS 3 11.164 9.462 11.867
33 1HE LYS 3 HE2 LYS 3 8.828 9.447 11.690
34 2HE LYS 3 HE1 LYS 3 8.749 7.686 11.622
35 1HZ LYS 3 HZ2 LYS 3 9.939 8.704 14.037
36 2HZ LYS 3 HZ1 LYS 3 8.319 9.176 13.832
37 3HZ LYS 3 HZ3 LYS 3 8.728 7.530 13.833
38 H LEU 4 HN LEU 4 12.762 7.776 6.756
39 HA LEU 4 HA LEU 4 11.287 9.209 4.692
40 1HB LEU 4 HB2 LEU 4 13.223 9.779 3.307
41 2HB LEU 4 HB1 LEU 4 13.368 10.570 4.877
42 HG LEU 4 HG LEU 4 14.542 7.852 4.698
43 1HD1 LEU 4 HD12 LEU 4 15.091 9.695 2.637
44 2HD1 LEU 4 HD11 LEU 4 16.466 9.788 3.737
45 3HD1 LEU 4 HD13 LEU 4 16.004 8.239 3.032
46 1HD2 LEU 4 HD22 LEU 4 14.638 9.391 6.692
47 2HD2 LEU 4 HD21 LEU 4 16.222 8.870 6.119
48 3HD2 LEU 4 HD23 LEU 4 15.634 10.488 5.733
49 H GLN 5 HN GLN 5 10.993 6.555 5.506
50 HA GLN 5 HA GLN 5 11.606 5.151 3.018
51 1HB GLN 5 HB2 GLN 5 12.755 3.289 4.616
52 2HB GLN 5 HB1 GLN 5 13.675 4.494 3.719
53 1HG GLN 5 HG2 GLN 5 13.919 5.887 5.625
54 2HG GLN 5 HG1 GLN 5 12.646 5.042 6.505
55 1HE2 GLN 5 HE22 GLN 5 16.087 3.847 7.598
56 2HE2 GLN 5 HE21 GLN 5 15.430 5.403 7.431
57 H ILE 6 HN ILE 6 9.789 3.984 2.679
58 HA ILE 6 HA ILE 6 8.732 2.262 4.800
59 HB ILE 6 HB ILE 6 7.264 4.630 3.650
60 1HG1 ILE 6 HG12 ILE 6 8.329 4.796 5.876
61 2HG1 ILE 6 HG11 ILE 6 6.572 4.874 6.008
62 1HG2 ILE 6 HG21 ILE 6 6.136 1.977 4.509
63 2HG2 ILE 6 HG23 ILE 6 5.200 3.461 4.695
64 3HG2 ILE 6 HG22 ILE 6 5.726 2.945 3.092
65 1HD1 ILE 6 HD11 ILE 6 7.356 2.122 6.102
66 2HD1 ILE 6 HD13 ILE 6 8.344 3.018 7.255
67 3HD1 ILE 6 HD12 ILE 6 6.585 3.081 7.365
68 H ALA 7 HN ALA 7 7.223 0.626 3.833
69 HA ALA 7 HA ALA 7 7.154 0.598 0.871
70 1HB ALA 7 HB3 ALA 7 9.268 -0.559 1.703
71 2HB ALA 7 HB2 ALA 7 8.209 -1.777 2.416
72 3HB ALA 7 HB1 ALA 7 8.221 -1.530 0.669
73 H VAL 8 HN VAL 8 5.103 0.137 0.341
74 HA VAL 8 HA VAL 8 3.555 -1.794 2.062
75 HB VAL 8 HB VAL 8 2.657 0.498 2.263
76 1HG1 VAL 8 HG12 VAL 8 3.494 0.717 -0.385
77 2HG1 VAL 8 HG11 VAL 8 1.736 0.710 -0.499
78 3HG1 VAL 8 HG13 VAL 8 2.550 1.911 0.501
79 1HG2 VAL 8 HG23 VAL 8 1.162 -1.612 1.986
80 2HG2 VAL 8 HG22 VAL 8 0.398 -0.035 1.788
81 3HG2 VAL 8 HG21 VAL 8 0.831 -0.988 0.369
82 H GLY 9 HN GLY 9 2.291 -3.301 0.903
83 1HA GLY 9 HA2 GLY 9 2.612 -3.246 -2.066
84 2HA GLY 9 HA1 GLY 9 2.863 -4.738 -1.158
85 H ILE 10 HN ILE 10 0.613 -3.151 -2.963
86 HA ILE 10 HA ILE 10 -1.711 -4.004 -1.355
87 HB ILE 10 HB ILE 10 -2.051 -2.977 -4.115
88 1HG1 ILE 10 HG12 ILE 10 -1.382 -1.056 -1.875
89 2HG1 ILE 10 HG11 ILE 10 -0.180 -1.588 -3.040
90 1HG2 ILE 10 HG23 ILE 10 -3.459 -3.059 -1.544
91 2HG2 ILE 10 HG22 ILE 10 -3.622 -1.526 -2.402
92 3HG2 ILE 10 HG21 ILE 10 -4.109 -3.030 -3.184
93 1HD1 ILE 10 HD11 ILE 10 -2.748 -0.668 -4.172
94 2HD1 ILE 10 HD13 ILE 10 -1.723 0.571 -3.455
95 3HD1 ILE 10 HD12 ILE 10 -1.105 -0.429 -4.768
96 H ILE 11 HN ILE 11 -3.397 -5.346 -2.593
97 HA ILE 11 HA ILE 11 -2.170 -7.042 -4.689
98 HB ILE 11 HB ILE 11 -3.434 -8.746 -2.728
99 1HG1 ILE 11 HG12 ILE 11 -1.166 -6.978 -1.778
100 2HG1 ILE 11 HG11 ILE 11 -2.744 -7.182 -1.029
101 1HG2 ILE 11 HG23 ILE 11 -1.720 -9.249 -4.591
102 2HG2 ILE 11 HG22 ILE 11 -0.513 -8.599 -3.479
103 3HG2 ILE 11 HG21 ILE 11 -1.437 -10.017 -3.032
104 1HD1 ILE 11 HD13 ILE 11 -1.891 -9.761 -1.106
105 2HD1 ILE 11 HD12 ILE 11 -0.353 -8.918 -0.918
106 3HD1 ILE 11 HD11 ILE 11 -1.636 -8.689 0.262
107 H ARG 12 HN ARG 12 -3.726 -8.310 -5.851
108 HA ARG 12 HA ARG 12 -6.590 -7.627 -5.306
109 1HB ARG 12 HB2 ARG 12 -5.513 -6.335 -7.248
110 2HB ARG 12 HB1 ARG 12 -5.414 -7.884 -8.083
111 1HG ARG 12 HG2 ARG 12 -7.689 -8.034 -8.372
112 2HG ARG 12 HG1 ARG 12 -8.043 -7.168 -6.876
113 1HD ARG 12 HD2 ARG 12 -8.628 -5.557 -8.445
114 2HD ARG 12 HD1 ARG 12 -6.938 -5.139 -8.167
115 HE ARG 12 HE ARG 12 -6.849 -6.973 -10.251
116 1HH1 ARG 12 HH11 ARG 12 -7.669 -3.732 -9.623
117 2HH1 ARG 12 HH12 ARG 12 -8.095 -3.361 -11.260
118 1HH2 ARG 12 HH21 ARG 12 -7.748 -6.629 -12.370
119 2HH2 ARG 12 HH22 ARG 12 -8.140 -5.002 -12.816
120 H ASN 13 HN ASN 13 -7.739 -9.491 -5.028
121 HA ASN 13 HA ASN 13 -6.553 -12.022 -6.029
122 1HB ASN 13 HB2 ASN 13 -8.519 -12.970 -4.566
123 2HB ASN 13 HB1 ASN 13 -7.080 -12.323 -3.779
124 1HD2 ASN 13 HD22 ASN 13 -10.285 -9.747 -3.873
125 2HD2 ASN 13 HD21 ASN 13 -9.870 -10.605 -5.276
126 H GLU 14 HN GLU 14 -8.713 -13.647 -6.275
127 HA GLU 14 HA GLU 14 -9.811 -12.812 -8.838
128 1HB GLU 14 HB2 GLU 14 -10.243 -15.253 -7.104
129 2HB GLU 14 HB1 GLU 14 -11.004 -15.037 -8.681
130 1HG GLU 14 HG2 GLU 14 -8.947 -15.115 -9.822
131 2HG GLU 14 HG1 GLU 14 -8.019 -14.762 -8.363
132 H ASN 15 HN ASN 15 -10.739 -12.241 -5.664
133 HA ASN 15 HA ASN 15 -13.641 -12.321 -6.192
134 1HB ASN 15 HB2 ASN 15 -12.355 -12.795 -3.930
135 2HB ASN 15 HB1 ASN 15 -12.441 -11.041 -3.762
136 1HD2 ASN 15 HD22 ASN 15 -15.723 -11.302 -2.529
137 2HD2 ASN 15 HD21 ASN 15 -14.188 -10.590 -2.404
138 H ASN 16 HN ASN 16 -11.639 -10.447 -7.568
139 HA ASN 16 HA ASN 16 -11.507 -8.195 -8.185
140 1HB ASN 16 HB2 ASN 16 -13.652 -8.719 -9.176
141 2HB ASN 16 HB1 ASN 16 -14.461 -8.557 -7.620
142 1HD2 ASN 16 HD22 ASN 16 -15.212 -5.248 -8.681
143 2HD2 ASN 16 HD21 ASN 16 -15.838 -6.790 -8.349
144 H GLU 17 HN GLU 17 -10.755 -8.627 -5.532
145 HA GLU 17 HA GLU 17 -11.564 -6.030 -4.328
146 1HB GLU 17 HB2 GLU 17 -11.307 -8.560 -2.683
147 2HB GLU 17 HB1 GLU 17 -11.911 -6.990 -2.158
148 1HG GLU 17 HG2 GLU 17 -13.523 -7.619 -4.339
149 2HG GLU 17 HG1 GLU 17 -13.326 -9.159 -3.501
150 H ILE 18 HN ILE 18 -9.854 -5.080 -3.091
151 HA ILE 18 HA ILE 18 -7.217 -6.392 -3.521
152 HB ILE 18 HB ILE 18 -6.828 -3.822 -2.433
153 1HG1 ILE 18 HG12 ILE 18 -9.216 -3.388 -3.044
154 2HG1 ILE 18 HG11 ILE 18 -8.065 -2.360 -3.877
155 1HG2 ILE 18 HG23 ILE 18 -6.417 -5.166 -5.064
156 2HG2 ILE 18 HG22 ILE 18 -6.217 -3.414 -4.990
157 3HG2 ILE 18 HG21 ILE 18 -5.235 -4.459 -3.963
158 1HD1 ILE 18 HD11 ILE 18 -8.300 -4.628 -5.508
159 2HD1 ILE 18 HD13 ILE 18 -9.947 -4.254 -5.000
160 3HD1 ILE 18 HD12 ILE 18 -8.979 -3.032 -5.825
161 H PHE 19 HN PHE 19 -5.705 -6.447 -1.758
162 HA PHE 19 HA PHE 19 -7.048 -6.715 0.871
163 1HB PHE 19 HB2 PHE 19 -5.544 -8.522 0.358
164 2HB PHE 19 HB1 PHE 19 -4.269 -7.407 -0.117
165 HD1 PHE 19 HD1 PHE 19 -6.319 -8.518 2.791
166 HD2 PHE 19 HD2 PHE 19 -2.726 -6.562 1.483
167 HE1 PHE 19 HE1 PHE 19 -5.486 -8.492 5.124
168 HE2 PHE 19 HE2 PHE 19 -1.896 -6.531 3.816
169 HZ PHE 19 HZ PHE 19 -3.267 -7.498 5.637
170 H ILE 20 HN ILE 20 -7.409 -4.297 0.790
171 HA ILE 20 HA ILE 20 -5.087 -2.586 1.051
172 HB ILE 20 HB ILE 20 -7.494 -2.077 0.130
173 1HG1 ILE 20 HG12 ILE 20 -6.955 0.110 0.113
174 2HG1 ILE 20 HG11 ILE 20 -6.789 0.180 1.862
175 1HG2 ILE 20 HG21 ILE 20 -8.492 -2.802 2.366
176 2HG2 ILE 20 HG23 ILE 20 -7.941 -1.246 2.980
177 3HG2 ILE 20 HG22 ILE 20 -9.110 -1.309 1.661
178 1HD1 ILE 20 HD12 ILE 20 -4.736 -0.954 -0.059
179 2HD1 ILE 20 HD11 ILE 20 -4.631 0.613 0.746
180 3HD1 ILE 20 HD13 ILE 20 -4.565 -0.873 1.695
181 H THR 21 HN THR 21 -5.962 -0.885 3.115
182 HA THR 21 HA THR 21 -6.366 -2.477 5.524
183 HB THR 21 HB THR 21 -3.873 -0.947 5.750
184 HG1 THR 21 HG1 THR 21 -3.919 -3.384 4.317
185 1HG2 THR 21 HG22 THR 21 -5.108 -2.633 7.359
186 2HG2 THR 21 HG21 THR 21 -4.235 -3.840 6.414
187 3HG2 THR 21 HG23 THR 21 -3.346 -2.596 7.293
188 H ARG 22 HN ARG 22 -6.748 -1.208 7.391
189 HA ARG 22 HA ARG 22 -6.897 1.736 6.976
190 1HB ARG 22 HB2 ARG 22 -9.097 -0.100 7.099
191 2HB ARG 22 HB1 ARG 22 -9.116 0.890 8.556
192 1HG ARG 22 HG2 ARG 22 -8.762 2.894 6.965
193 2HG ARG 22 HG1 ARG 22 -9.224 1.778 5.679
194 1HD ARG 22 HD2 ARG 22 -11.092 1.496 7.831
195 2HD ARG 22 HD1 ARG 22 -10.941 3.209 7.445
196 HE ARG 22 HE ARG 22 -11.196 1.989 4.970
197 1HH1 ARG 22 HH21 ARG 22 -13.098 3.058 7.535
198 2HH1 ARG 22 HH22 ARG 22 -14.567 2.333 6.972
199 1HH2 ARG 22 HH11 ARG 22 -13.032 0.587 4.398
200 2HH2 ARG 22 HH12 ARG 22 -14.530 0.932 5.197
201 H ARG 23 HN ARG 23 -7.044 2.883 9.126
202 HA ARG 23 HA ARG 23 -5.369 1.522 11.093
203 1HB ARG 23 HB2 ARG 23 -5.415 3.733 12.202
204 2HB ARG 23 HB1 ARG 23 -4.910 3.853 10.529
205 1HG ARG 23 HG2 ARG 23 -7.144 4.569 9.871
206 2HG ARG 23 HG1 ARG 23 -7.733 4.331 11.515
207 1HD ARG 23 HD2 ARG 23 -5.608 6.317 10.658
208 2HD ARG 23 HD1 ARG 23 -7.261 6.710 11.130
209 HE ARG 23 HE ARG 23 -5.264 6.636 12.985
210 1HH1 ARG 23 HH21 ARG 23 -8.357 6.387 13.443
211 2HH1 ARG 23 HH22 ARG 23 -8.373 5.086 14.587
212 1HH2 ARG 23 HH11 ARG 23 -5.086 4.163 13.987
213 2HH2 ARG 23 HH12 ARG 23 -6.524 3.825 14.891
214 H ALA 24 HN ALA 24 -7.477 0.000 11.236
215 HA ALA 24 HA ALA 24 -9.279 -0.736 12.547
216 1HB ALA 24 HB3 ALA 24 -7.400 0.693 14.318
217 2HB ALA 24 HB2 ALA 24 -9.031 0.524 14.966
218 3HB ALA 24 HB1 ALA 24 -8.117 -0.909 14.496
219 H ALA 25 HN ALA 25 -11.147 0.155 14.027
220 HA ALA 25 HA ALA 25 -12.926 1.662 14.315
221 1HB ALA 25 HB3 ALA 25 -10.724 3.294 14.283
222 2HB ALA 25 HB2 ALA 25 -11.645 3.921 12.916
223 3HB ALA 25 HB1 ALA 25 -12.379 3.859 14.519
224 H ASP 26 HN ASP 26 -14.093 0.418 12.717
225 HA ASP 26 HA ASP 26 -13.892 1.029 9.890
226 1HB ASP 26 HB2 ASP 26 -14.911 -1.072 11.186
227 2HB ASP 26 HB1 ASP 26 -16.395 -0.128 11.047
228 H ALA 27 HN ALA 27 -14.693 2.830 8.926
229 HA ALA 27 HA ALA 27 -16.260 4.769 10.362
230 1HB ALA 27 HB2 ALA 27 -15.147 4.479 7.645
231 2HB ALA 27 HB1 ALA 27 -16.626 5.435 7.730
232 3HB ALA 27 HB3 ALA 27 -15.219 5.900 8.685
233 H HIS 28 HN HIS 28 -18.474 5.412 9.902
234 HA HIS 28 HA HIS 28 -20.114 3.222 8.695
235 1HB HIS 28 HB2 HIS 28 -21.881 4.164 10.427
236 2HB HIS 28 HB1 HIS 28 -20.677 2.982 10.940
237 HD1 HIS 28 HD1 HIS 28 -19.047 3.698 12.727
238 HD2 HIS 28 HD2 HIS 28 -21.139 6.928 11.126
239 HE1 HIS 28 HE1 HIS 28 -18.454 5.710 14.146
240 H MET 29 HN MET 29 -19.055 6.140 8.017
241 HA MET 29 HA MET 29 -21.465 6.844 6.489
242 1HB MET 29 HB2 MET 29 -20.355 8.622 8.674
243 2HB MET 29 HB1 MET 29 -21.359 9.240 7.362
244 1HG MET 29 HG2 MET 29 -23.032 7.384 8.024
245 2HG MET 29 HG1 MET 29 -22.105 7.269 9.520
246 1HE MET 29 HE2 MET 29 -24.902 7.702 9.855
247 2HE MET 29 HE1 MET 29 -25.595 9.321 9.861
248 3HE MET 29 HE3 MET 29 -25.241 8.512 8.328
249 H ALA 30 HN ALA 30 -18.240 7.991 7.533
250 HA ALA 30 HA ALA 30 -17.810 9.203 4.877
251 1HB ALA 30 HB3 ALA 30 -16.935 9.871 7.395
252 2HB ALA 30 HB2 ALA 30 -15.524 9.055 6.724
253 3HB ALA 30 HB1 ALA 30 -16.211 10.452 5.896
254 H ASN 31 HN ASN 31 -14.929 8.638 4.879
255 HA ASN 31 HA ASN 31 -14.614 5.742 4.755
256 1HB ASN 31 HB2 ASN 31 -13.920 6.297 2.140
257 2HB ASN 31 HB1 ASN 31 -15.412 5.508 2.645
258 1HD2 ASN 31 HD22 ASN 31 -17.461 8.312 1.894
259 2HD2 ASN 31 HD21 ASN 31 -17.390 6.785 2.633
260 H LYS 32 HN LYS 32 -12.504 5.349 5.205
261 HA LYS 32 HA LYS 32 -10.409 7.129 4.137
262 1HB LYS 32 HB2 LYS 32 -9.444 7.645 6.301
263 2HB LYS 32 HB1 LYS 32 -11.135 8.149 6.317
264 1HG LYS 32 HG2 LYS 32 -11.248 6.950 8.245
265 2HG LYS 32 HG1 LYS 32 -11.341 5.556 7.169
266 1HD LYS 32 HD2 LYS 32 -8.901 5.290 7.270
267 2HD LYS 32 HD1 LYS 32 -8.777 6.710 8.308
268 1HE LYS 32 HE2 LYS 32 -10.635 4.541 9.170
269 2HE LYS 32 HE1 LYS 32 -8.904 4.236 9.321
270 1HZ LYS 32 HZ1 LYS 32 -8.957 6.635 10.343
271 2HZ LYS 32 HZ3 LYS 32 -10.567 6.226 10.679
272 3HZ LYS 32 HZ2 LYS 32 -9.306 5.269 11.291
273 H LEU 33 HN LEU 33 -8.757 5.837 3.491
274 HA LEU 33 HA LEU 33 -8.432 3.179 4.788
275 1HB LEU 33 HB2 LEU 33 -8.404 4.103 1.950
276 2HB LEU 33 HB1 LEU 33 -7.383 2.757 2.407
277 HG LEU 33 HG LEU 33 -9.754 2.133 3.648
278 1HD1 LEU 33 HD11 LEU 33 -10.695 4.107 2.297
279 2HD1 LEU 33 HD13 LEU 33 -10.467 3.090 0.876
280 3HD1 LEU 33 HD12 LEU 33 -11.554 2.572 2.165
281 1HD2 LEU 33 HD21 LEU 33 -8.550 1.373 0.990
282 2HD2 LEU 33 HD23 LEU 33 -8.515 0.476 2.505
283 3HD2 LEU 33 HD22 LEU 33 -10.016 0.597 1.589
284 H GLU 34 HN GLU 34 -6.014 2.498 3.601
285 HA GLU 34 HA GLU 34 -4.152 4.712 3.861
286 1HB GLU 34 HB2 GLU 34 -4.834 3.562 6.222
287 2HB GLU 34 HB1 GLU 34 -3.475 2.552 5.750
288 1HG GLU 34 HG2 GLU 34 -2.060 4.169 6.363
289 2HG GLU 34 HG1 GLU 34 -2.787 5.260 5.188
290 H PHE 35 HN PHE 35 -1.900 3.196 4.431
291 HA PHE 35 HA PHE 35 -1.788 0.916 2.583
292 1HB PHE 35 HB2 PHE 35 -0.669 3.617 1.919
293 2HB PHE 35 HB1 PHE 35 0.253 2.189 1.448
294 HD1 PHE 35 HD1 PHE 35 -1.659 0.208 0.692
295 HD2 PHE 35 HD2 PHE 35 -1.838 4.457 0.085
296 HE1 PHE 35 HE1 PHE 35 -3.165 -0.131 -1.250
297 HE2 PHE 35 HE2 PHE 35 -3.343 4.118 -1.855
298 HZ PHE 35 HZ PHE 35 -4.005 1.824 -2.528
299 HA PRO 36 HA PRO 36 0.949 0.961 6.378
300 1HB PRO 36 HB2 PRO 36 0.355 -1.877 6.465
301 2HB PRO 36 HB1 PRO 36 -0.040 -0.634 7.661
302 1HG PRO 36 HG2 PRO 36 -1.846 -1.940 5.851
303 2HG PRO 36 HG1 PRO 36 -2.220 -0.643 6.993
304 1HD PRO 36 HD2 PRO 36 -2.084 -0.474 4.121
305 2HD PRO 36 HD1 PRO 36 -2.434 0.832 5.271
306 H GLY 37 HN GLY 37 2.974 -0.402 6.603
307 1HA GLY 37 HA2 GLY 37 3.735 -2.058 4.319
308 2HA GLY 37 HA1 GLY 37 4.545 -0.491 4.354
309 H GLY 38 HN GLY 38 6.603 -1.365 4.784
310 1HA GLY 38 HA2 GLY 38 6.932 -2.348 7.576
311 2HA GLY 38 HA1 GLY 38 7.754 -3.172 6.246
312 H LYS 39 HN LYS 39 9.203 -1.793 4.888
313 HA LYS 39 HA LYS 39 10.042 0.808 5.603
314 1HB LYS 39 HB2 LYS 39 10.651 -0.516 7.732
315 2HB LYS 39 HB1 LYS 39 11.925 -1.249 6.762
316 1HG LYS 39 HG2 LYS 39 12.590 1.169 6.146
317 2HG LYS 39 HG1 LYS 39 11.579 1.655 7.507
318 1HD LYS 39 HD2 LYS 39 13.006 -0.306 8.695
319 2HD LYS 39 HD1 LYS 39 14.187 0.229 7.500
320 1HE LYS 39 HE2 LYS 39 13.357 2.635 8.389
321 2HE LYS 39 HE1 LYS 39 13.078 1.681 9.847
322 1HZ LYS 39 HZ1 LYS 39 15.569 1.015 8.671
323 2HZ LYS 39 HZ3 LYS 39 15.484 2.686 8.948
324 3HZ LYS 39 HZ2 LYS 39 15.243 1.601 10.233
325 H ILE 40 HN ILE 40 11.958 1.452 4.415
326 HA ILE 40 HA ILE 40 12.389 -0.132 1.997
327 HB ILE 40 HB ILE 40 13.917 2.326 2.885
328 1HG1 ILE 40 HG12 ILE 40 11.436 2.644 3.104
329 2HG1 ILE 40 HG11 ILE 40 12.177 3.691 1.898
330 1HG2 ILE 40 HG23 ILE 40 13.271 1.007 0.257
331 2HG2 ILE 40 HG22 ILE 40 13.780 2.694 0.347
332 3HG2 ILE 40 HG21 ILE 40 14.854 1.415 0.919
333 1HD1 ILE 40 HD12 ILE 40 11.587 1.719 0.251
334 2HD1 ILE 40 HD11 ILE 40 10.420 1.290 1.499
335 3HD1 ILE 40 HD13 ILE 40 10.339 2.870 0.722
336 H GLU 41 HN GLU 41 13.671 -1.935 2.270
337 HA GLU 41 HA GLU 41 16.190 -1.586 3.846
338 1HB GLU 41 HB2 GLU 41 14.893 -4.244 3.250
339 2HB GLU 41 HB1 GLU 41 16.049 -3.846 4.523
340 1HG GLU 41 HG2 GLU 41 14.146 -2.164 5.278
341 2HG GLU 41 HG1 GLU 41 13.109 -3.280 4.388
342 H MET 42 HN MET 42 17.846 -3.396 3.051
343 HA MET 42 HA MET 42 19.176 -4.237 1.310
344 1HB MET 42 HB2 MET 42 16.920 -3.597 -0.590
345 2HB MET 42 HB1 MET 42 18.161 -4.839 -0.745
346 1HG MET 42 HG2 MET 42 15.857 -4.785 1.215
347 2HG MET 42 HG1 MET 42 16.138 -5.953 -0.075
348 1HE MET 42 HE2 MET 42 18.298 -6.885 -0.436
349 2HE MET 42 HE1 MET 42 19.509 -7.343 0.760
350 3HE MET 42 HE3 MET 42 18.058 -8.329 0.546
351 H GLY 43 HN GLY 43 19.501 -3.314 -1.313
352 1HA GLY 43 HA2 GLY 43 20.128 -0.434 -0.833
353 2HA GLY 43 HA1 GLY 43 21.154 -1.494 -1.791
354 H GLU 44 HN GLU 44 18.715 -2.742 -3.001
355 HA GLU 44 HA GLU 44 18.455 -0.858 -5.215
356 1HB GLU 44 HB2 GLU 44 18.169 -3.650 -4.870
357 2HB GLU 44 HB1 GLU 44 16.584 -3.050 -5.357
358 1HG GLU 44 HG2 GLU 44 17.990 -3.614 -7.316
359 2HG GLU 44 HG1 GLU 44 17.587 -1.898 -7.272
360 H THR 45 HN THR 45 15.668 -1.510 -5.847
361 HA THR 45 HA THR 45 14.073 -0.601 -3.601
362 HB THR 45 HB THR 45 14.116 1.606 -3.908
363 HG1 THR 45 HG1 THR 45 12.408 1.253 -5.362
364 1HG2 THR 45 HG22 THR 45 15.997 0.833 -6.121
365 2HG2 THR 45 HG21 THR 45 15.529 2.519 -5.906
366 3HG2 THR 45 HG23 THR 45 16.346 1.659 -4.602
367 HA PRO 46 HA PRO 46 11.156 -1.059 -7.357
368 1HB PRO 46 HB2 PRO 46 12.540 -1.916 -9.702
369 2HB PRO 46 HB1 PRO 46 11.738 -0.362 -9.432
370 1HG PRO 46 HG2 PRO 46 14.574 -0.885 -9.575
371 2HG PRO 46 HG1 PRO 46 13.764 0.667 -9.331
372 1HD PRO 46 HD2 PRO 46 15.196 -0.924 -7.395
373 2HD PRO 46 HD1 PRO 46 14.455 0.667 -7.170
374 H GLU 47 HN GLU 47 13.406 -3.214 -6.178
375 HA GLU 47 HA GLU 47 11.654 -5.468 -6.961
376 1HB GLU 47 HB2 GLU 47 14.058 -5.009 -8.308
377 2HB GLU 47 HB1 GLU 47 14.456 -6.244 -7.119
378 1HG GLU 47 HG2 GLU 47 13.163 -7.821 -8.129
379 2HG GLU 47 HG1 GLU 47 11.887 -6.666 -8.513
380 H GLN 48 HN GLN 48 14.851 -5.132 -5.546
381 HA GLN 48 HA GLN 48 14.681 -6.981 -3.509
382 1HB GLN 48 HB2 GLN 48 16.193 -4.483 -4.044
383 2HB GLN 48 HB1 GLN 48 16.285 -5.165 -2.429
384 1HG GLN 48 HG2 GLN 48 17.018 -7.280 -3.288
385 2HG GLN 48 HG1 GLN 48 16.715 -6.752 -4.941
386 1HE2 GLN 48 HE22 GLN 48 19.736 -4.562 -3.282
387 2HE2 GLN 48 HE21 GLN 48 18.196 -4.584 -2.569
388 H ALA 49 HN ALA 49 13.428 -3.831 -3.736
389 HA ALA 49 HA ALA 49 12.978 -3.364 -0.967
390 1HB ALA 49 HB3 ALA 49 12.828 -1.650 -2.842
391 2HB ALA 49 HB2 ALA 49 11.211 -2.275 -3.151
392 3HB ALA 49 HB1 ALA 49 11.591 -1.539 -1.594
393 H VAL 50 HN VAL 50 10.453 -4.119 -3.387
394 HA VAL 50 HA VAL 50 8.647 -5.027 -1.277
395 HB VAL 50 HB VAL 50 7.987 -3.786 -3.351
396 1HG1 VAL 50 HG11 VAL 50 9.478 -5.578 -4.689
397 2HG1 VAL 50 HG13 VAL 50 7.912 -6.380 -4.808
398 3HG1 VAL 50 HG12 VAL 50 8.115 -4.746 -5.440
399 1HG2 VAL 50 HG22 VAL 50 6.723 -6.045 -2.064
400 2HG2 VAL 50 HG21 VAL 50 5.994 -4.547 -2.645
401 3HG2 VAL 50 HG23 VAL 50 6.200 -5.911 -3.743
402 H VAL 51 HN VAL 51 11.128 -6.529 -2.953
403 HA VAL 51 HA VAL 51 9.920 -9.140 -3.323
404 HB VAL 51 HB VAL 51 12.068 -8.139 -4.432
405 1HG1 VAL 51 HG12 VAL 51 13.207 -9.258 -1.859
406 2HG1 VAL 51 HG11 VAL 51 14.152 -8.764 -3.263
407 3HG1 VAL 51 HG13 VAL 51 13.233 -7.567 -2.357
408 1HG2 VAL 51 HG22 VAL 51 12.028 -10.930 -3.307
409 2HG2 VAL 51 HG21 VAL 51 11.298 -10.400 -4.824
410 3HG2 VAL 51 HG23 VAL 51 13.050 -10.382 -4.635
411 H ARG 52 HN ARG 52 12.064 -7.679 -0.927
412 HA ARG 52 HA ARG 52 11.939 -9.922 0.850
413 1HB ARG 52 HB2 ARG 52 13.805 -8.790 1.413
414 2HB ARG 52 HB1 ARG 52 13.285 -7.369 0.544
415 1HG ARG 52 HG2 ARG 52 12.139 -6.494 2.382
416 2HG ARG 52 HG1 ARG 52 12.141 -8.033 3.248
417 1HD ARG 52 HD2 ARG 52 14.744 -6.711 2.522
418 2HD ARG 52 HD1 ARG 52 13.861 -6.189 3.958
419 HE ARG 52 HE ARG 52 13.959 -8.933 4.234
420 1HH1 ARG 52 HH21 ARG 52 15.793 -6.309 5.061
421 2HH1 ARG 52 HH22 ARG 52 17.290 -7.161 5.244
422 1HH2 ARG 52 HH11 ARG 52 16.090 -10.101 3.849
423 2HH2 ARG 52 HH12 ARG 52 17.459 -9.309 4.556
424 H GLU 53 HN GLU 53 9.982 -7.086 0.168
425 HA GLU 53 HA GLU 53 8.723 -6.673 2.663
426 1HB GLU 53 HB2 GLU 53 7.931 -6.327 -0.182
427 2HB GLU 53 HB1 GLU 53 6.619 -6.369 0.994
428 1HG GLU 53 HG2 GLU 53 8.672 -4.743 2.097
429 2HG GLU 53 HG1 GLU 53 8.432 -4.218 0.431
430 H LEU 54 HN LEU 54 8.588 -9.386 0.530
431 HA LEU 54 HA LEU 54 6.072 -10.484 1.334
432 1HB LEU 54 HB2 LEU 54 8.375 -11.323 -0.234
433 2HB LEU 54 HB1 LEU 54 7.753 -12.648 0.744
434 HG LEU 54 HG LEU 54 6.598 -12.690 -1.377
435 1HD1 LEU 54 HD12 LEU 54 5.192 -12.041 1.105
436 2HD1 LEU 54 HD11 LEU 54 4.250 -11.641 -0.329
437 3HD1 LEU 54 HD13 LEU 54 4.838 -13.286 -0.092
438 1HD2 LEU 54 HD21 LEU 54 6.586 -9.769 -0.964
439 2HD2 LEU 54 HD23 LEU 54 6.594 -10.694 -2.466
440 3HD2 LEU 54 HD22 LEU 54 5.079 -10.418 -1.607
441 H GLN 55 HN GLN 55 9.367 -11.490 2.335
442 HA GLN 55 HA GLN 55 8.257 -13.036 4.558
443 1HB GLN 55 HB2 GLN 55 10.567 -13.594 5.075
444 2HB GLN 55 HB1 GLN 55 10.318 -13.714 3.333
445 1HG GLN 55 HG2 GLN 55 11.477 -11.711 2.902
446 2HG GLN 55 HG1 GLN 55 11.316 -11.153 4.568
447 1HE2 GLN 55 HE22 GLN 55 14.029 -13.191 5.769
448 2HE2 GLN 55 HE21 GLN 55 12.551 -12.505 6.246
449 H GLU 56 HN GLU 56 9.716 -9.846 4.257
450 HA GLU 56 HA GLU 56 10.120 -9.554 7.125
451 1HB GLU 56 HB2 GLU 56 10.885 -7.355 6.630
452 2HB GLU 56 HB1 GLU 56 11.433 -8.364 5.292
453 1HG GLU 56 HG2 GLU 56 10.483 -6.653 4.074
454 2HG GLU 56 HG1 GLU 56 9.049 -7.656 4.297
455 H GLU 57 HN GLU 57 7.512 -8.747 4.882
456 HA GLU 57 HA GLU 57 6.204 -7.131 6.980
457 1HB GLU 57 HB2 GLU 57 4.869 -6.252 5.323
458 2HB GLU 57 HB1 GLU 57 6.259 -6.730 4.353
459 1HG GLU 57 HG2 GLU 57 5.089 -8.927 3.925
460 2HG GLU 57 HG1 GLU 57 3.661 -8.243 4.700
461 H VAL 58 HN VAL 58 5.509 -10.151 5.170
462 HA VAL 58 HA VAL 58 4.008 -11.110 7.511
463 HB VAL 58 HB VAL 58 2.119 -10.262 6.409
464 1HG1 VAL 58 HG13 VAL 58 3.854 -10.273 4.133
465 2HG1 VAL 58 HG12 VAL 58 2.359 -11.096 3.694
466 3HG1 VAL 58 HG11 VAL 58 2.307 -9.453 4.328
467 1HG2 VAL 58 HG22 VAL 58 2.455 -12.981 6.442
468 2HG2 VAL 58 HG21 VAL 58 0.944 -12.164 6.038
469 3HG2 VAL 58 HG23 VAL 58 2.033 -12.693 4.756
470 H GLY 59 HN GLY 59 4.422 -12.046 4.082
471 1HA GLY 59 HA2 GLY 59 6.214 -13.675 3.557
472 2HA GLY 59 HA1 GLY 59 5.753 -14.517 5.039
473 H ILE 60 HN ILE 60 4.424 -13.458 1.948
474 HA ILE 60 HA ILE 60 2.559 -15.798 1.941
475 HB ILE 60 HB ILE 60 2.218 -13.908 -0.229
476 1HG1 ILE 60 HG12 ILE 60 1.984 -12.799 2.591
477 2HG1 ILE 60 HG11 ILE 60 3.140 -12.261 1.374
478 1HG2 ILE 60 HG23 ILE 60 0.736 -15.573 1.512
479 2HG2 ILE 60 HG22 ILE 60 0.109 -13.947 1.717
480 3HG2 ILE 60 HG21 ILE 60 0.134 -14.679 0.117
481 1HD1 ILE 60 HD13 ILE 60 0.215 -12.261 0.713
482 2HD1 ILE 60 HD12 ILE 60 0.876 -10.954 1.693
483 3HD1 ILE 60 HD11 ILE 60 1.500 -11.242 0.069
484 H THR 61 HN THR 61 2.226 -15.678 -0.908
485 HA THR 61 HA THR 61 4.920 -16.109 -2.035
486 HB THR 61 HB THR 61 2.886 -18.274 -2.475
487 HG1 THR 61 HG1 THR 61 3.340 -17.965 -0.180
488 1HG2 THR 61 HG23 THR 61 5.562 -17.646 -3.281
489 2HG2 THR 61 HG22 THR 61 5.585 -19.139 -2.344
490 3HG2 THR 61 HG21 THR 61 4.560 -19.012 -3.773
491 HA PRO 62 HA PRO 62 2.137 -13.854 -4.823
492 1HB PRO 62 HB2 PRO 62 4.438 -12.728 -6.069
493 2HB PRO 62 HB1 PRO 62 3.348 -11.944 -4.917
494 1HG PRO 62 HG2 PRO 62 6.069 -12.843 -4.470
495 2HG PRO 62 HG1 PRO 62 5.008 -11.976 -3.358
496 1HD PRO 62 HD2 PRO 62 5.770 -14.741 -3.254
497 2HD PRO 62 HD1 PRO 62 4.694 -13.864 -2.148
498 H GLN 63 HN GLN 63 1.740 -14.183 -7.059
499 HA GLN 63 HA GLN 63 3.493 -16.218 -8.378
500 1HB GLN 63 HB2 GLN 63 0.613 -15.983 -9.144
501 2HB GLN 63 HB1 GLN 63 1.651 -17.409 -9.107
502 1HG GLN 63 HG2 GLN 63 1.617 -17.276 -6.588
503 2HG GLN 63 HG1 GLN 63 0.411 -15.995 -6.728
504 1HE2 GLN 63 HE22 GLN 63 -1.873 -18.456 -8.414
505 2HE2 GLN 63 HE21 GLN 63 -1.116 -17.021 -8.910
506 H HIS 64 HN HIS 64 1.330 -13.438 -8.816
507 HA HIS 64 HA HIS 64 2.797 -12.826 -11.343
508 1HB HIS 64 HB2 HIS 64 -0.012 -13.331 -10.969
509 2HB HIS 64 HB1 HIS 64 0.224 -11.656 -11.461
510 HD1 HIS 64 HD1 HIS 64 0.898 -11.226 -13.866
511 HD2 HIS 64 HD2 HIS 64 1.140 -15.259 -12.843
512 HE1 HIS 64 HE1 HIS 64 1.332 -12.486 -16.020
513 H PHE 65 HN PHE 65 2.145 -10.337 -11.874
514 HA PHE 65 HA PHE 65 2.032 -8.744 -9.377
515 1HB PHE 65 HB2 PHE 65 4.386 -8.959 -11.213
516 2HB PHE 65 HB1 PHE 65 4.075 -7.435 -10.390
517 HD1 PHE 65 HD1 PHE 65 4.481 -11.104 -9.768
518 HD2 PHE 65 HD2 PHE 65 4.748 -7.133 -8.154
519 HE1 PHE 65 HE1 PHE 65 5.491 -12.015 -7.695
520 HE2 PHE 65 HE2 PHE 65 5.759 -8.043 -6.081
521 HZ PHE 65 HZ PHE 65 6.129 -10.484 -5.851
522 H SER 66 HN SER 66 2.027 -6.332 -9.982
523 HA SER 66 HA SER 66 1.179 -5.700 -12.723
524 1HB SER 66 HB2 SER 66 -0.926 -6.461 -12.057
525 2HB SER 66 HB1 SER 66 -0.702 -5.876 -10.412
526 HG SER 66 HG SER 66 -1.394 -4.485 -12.746
527 H LEU 67 HN LEU 67 2.645 -4.745 -9.908
528 HA LEU 67 HA LEU 67 2.135 -2.250 -9.097
529 1HB LEU 67 HB2 LEU 67 4.217 -3.042 -8.383
530 2HB LEU 67 HB1 LEU 67 4.761 -3.386 -10.022
531 HG LEU 67 HG LEU 67 4.736 -0.849 -10.420
532 1HD1 LEU 67 HD12 LEU 67 3.304 -0.515 -8.284
533 2HD1 LEU 67 HD11 LEU 67 4.830 -0.663 -7.414
534 3HD1 LEU 67 HD13 LEU 67 4.609 0.629 -8.594
535 1HD2 LEU 67 HD21 LEU 67 6.672 -2.540 -9.400
536 2HD2 LEU 67 HD23 LEU 67 6.955 -0.899 -9.981
537 3HD2 LEU 67 HD22 LEU 67 6.690 -1.195 -8.261
538 H PHE 68 HN PHE 68 2.309 -0.112 -9.784
539 HA PHE 68 HA PHE 68 2.429 0.244 -12.729
540 1HB PHE 68 HB2 PHE 68 0.868 2.048 -12.413
541 2HB PHE 68 HB1 PHE 68 0.220 0.607 -11.694
542 HD1 PHE 68 HD2 PHE 68 0.674 0.305 -9.116
543 HD2 PHE 68 HD1 PHE 68 0.890 4.036 -11.233
544 HE1 PHE 68 HE2 PHE 68 0.367 1.533 -6.987
545 HE2 PHE 68 HE1 PHE 68 0.577 5.263 -9.102
546 HZ PHE 68 HZ PHE 68 0.316 4.013 -6.980
547 H GLU 69 HN GLU 69 2.949 1.905 -9.657
548 HA GLU 69 HA GLU 69 5.602 2.739 -10.255
549 1HB GLU 69 HB2 GLU 69 5.349 5.063 -10.847
550 2HB GLU 69 HB1 GLU 69 4.395 4.113 -11.983
551 1HG GLU 69 HG2 GLU 69 2.438 4.995 -11.256
552 2HG GLU 69 HG1 GLU 69 2.923 4.922 -9.562
553 H LYS 70 HN LYS 70 6.436 4.313 -8.630
554 HA LYS 70 HA LYS 70 4.848 4.113 -6.127
555 1HB LYS 70 HB2 LYS 70 7.359 4.918 -5.376
556 2HB LYS 70 HB1 LYS 70 6.819 3.249 -5.429
557 1HG LYS 70 HG2 LYS 70 7.661 3.077 -7.763
558 2HG LYS 70 HG1 LYS 70 8.268 4.729 -7.640
559 1HD LYS 70 HD2 LYS 70 9.976 4.144 -6.203
560 2HD LYS 70 HD1 LYS 70 9.065 2.804 -5.505
561 1HE LYS 70 HE2 LYS 70 10.415 1.503 -6.786
562 2HE LYS 70 HE1 LYS 70 9.331 1.971 -8.097
563 1HZ LYS 70 HZ3 LYS 70 11.008 4.058 -8.003
564 2HZ LYS 70 HZ2 LYS 70 12.052 2.790 -7.571
565 3HZ LYS 70 HZ1 LYS 70 11.200 2.729 -9.039
566 H LEU 71 HN LEU 71 5.780 6.053 -4.554
567 HA LEU 71 HA LEU 71 5.865 8.596 -6.064
568 1HB LEU 71 HB2 LEU 71 4.003 9.554 -4.748
569 2HB LEU 71 HB1 LEU 71 3.463 8.191 -5.714
570 HG LEU 71 HG LEU 71 4.138 6.859 -3.481
571 1HD1 LEU 71 HD12 LEU 71 3.574 9.707 -2.680
572 2HD1 LEU 71 HD11 LEU 71 3.162 8.375 -1.601
573 3HD1 LEU 71 HD13 LEU 71 4.836 8.625 -2.091
574 1HD2 LEU 71 HD22 LEU 71 1.926 6.890 -4.647
575 2HD2 LEU 71 HD21 LEU 71 1.764 6.906 -2.891
576 3HD2 LEU 71 HD23 LEU 71 1.539 8.394 -3.810
577 H GLU 72 HN GLU 72 5.430 10.259 -3.836
578 HA GLU 72 HA GLU 72 7.412 9.377 -1.803
579 1HB GLU 72 HB2 GLU 72 8.737 11.397 -2.040
580 2HB GLU 72 HB1 GLU 72 8.632 10.620 -3.620
581 1HG GLU 72 HG2 GLU 72 7.873 12.594 -4.407
582 2HG GLU 72 HG1 GLU 72 6.380 12.257 -3.530
583 H TYR 73 HN TYR 73 7.388 10.855 0.115
584 HA TYR 73 HA TYR 73 4.950 12.551 0.288
585 1HB TYR 73 HB2 TYR 73 4.608 10.119 1.155
586 2HB TYR 73 HB1 TYR 73 5.611 10.630 2.513
587 HD1 TYR 73 HD1 TYR 73 2.967 12.352 0.480
588 HD2 TYR 73 HD2 TYR 73 4.273 11.094 4.374
589 HE1 TYR 73 HE1 TYR 73 1.006 13.476 1.499
590 HE2 TYR 73 HE2 TYR 73 2.311 12.219 5.395
591 HH TYR 73 HH TYR 73 -0.203 12.870 4.311
592 H GLU 74 HN GLU 74 5.000 13.918 2.288
593 HA GLU 74 HA GLU 74 7.560 14.195 3.690
594 1HB GLU 74 HB2 GLU 74 7.608 15.444 1.340
595 2HB GLU 74 HB1 GLU 74 6.685 16.659 2.224
596 1HG GLU 74 HG2 GLU 74 8.670 16.096 4.019
597 2HG GLU 74 HG1 GLU 74 9.523 15.897 2.488
598 H PHE 75 HN PHE 75 6.700 14.316 5.688
599 HA PHE 75 HA PHE 75 4.152 15.629 6.210
600 1HB PHE 75 HB2 PHE 75 6.164 14.033 7.688
601 2HB PHE 75 HB1 PHE 75 5.247 15.174 8.656
602 HD1 PHE 75 HD1 PHE 75 2.594 15.212 7.587
603 HD2 PHE 75 HD2 PHE 75 5.296 11.888 7.889
604 HE1 PHE 75 HE1 PHE 75 0.671 13.649 7.574
605 HE2 PHE 75 HE2 PHE 75 3.371 10.323 7.876
606 HZ PHE 75 HZ PHE 75 1.057 11.205 7.719
607 HA PRO 76 HA PRO 76 5.418 19.649 7.345
608 1HB PRO 76 HB2 PRO 76 4.681 19.567 10.135
609 2HB PRO 76 HB1 PRO 76 3.821 20.338 8.796
610 1HG PRO 76 HG2 PRO 76 3.082 17.932 10.187
611 2HG PRO 76 HG1 PRO 76 2.256 18.683 8.815
612 1HD PRO 76 HD2 PRO 76 3.802 16.255 8.822
613 2HD PRO 76 HD1 PRO 76 2.983 17.020 7.446
614 H ASP 77 HN ASP 77 6.756 16.968 8.980
615 HA ASP 77 HA ASP 77 9.155 18.534 9.553
616 1HB ASP 77 HB2 ASP 77 7.418 18.417 11.577
617 2HB ASP 77 HB1 ASP 77 8.242 16.882 11.848
618 H ARG 78 HN ARG 78 7.803 15.578 8.604
619 HA ARG 78 HA ARG 78 10.448 14.301 8.902
620 1HB ARG 78 HB2 ARG 78 8.889 12.167 9.035
621 2HB ARG 78 HB1 ARG 78 9.322 13.068 10.474
622 1HG ARG 78 HG2 ARG 78 7.119 14.426 9.870
623 2HG ARG 78 HG1 ARG 78 6.714 12.934 9.026
624 1HD ARG 78 HD2 ARG 78 7.221 11.685 11.148
625 2HD ARG 78 HD1 ARG 78 7.394 13.242 11.956
626 HE ARG 78 HE ARG 78 4.903 13.393 10.744
627 1HH1 ARG 78 HH21 ARG 78 5.116 10.344 11.224
628 2HH1 ARG 78 HH22 ARG 78 4.287 10.209 12.738
629 1HH2 ARG 78 HH11 ARG 78 4.424 13.608 13.419
630 2HH2 ARG 78 HH12 ARG 78 3.897 12.057 13.982
631 H HIS 79 HN HIS 79 10.213 12.101 7.437
632 HA HIS 79 HA HIS 79 8.863 12.883 4.894
633 1HB HIS 79 HB2 HIS 79 11.592 11.617 4.856
634 2HB HIS 79 HB1 HIS 79 10.791 12.561 3.601
635 HD1 HIS 79 HD1 HIS 79 13.347 12.882 6.075
636 HD2 HIS 79 HD2 HIS 79 10.362 15.421 4.652
637 HE1 HIS 79 HE1 HIS 79 14.034 15.231 6.726
638 H ILE 80 HN ILE 80 8.413 11.028 3.498
639 HA ILE 80 HA ILE 80 8.818 8.357 4.702
640 HB ILE 80 HB ILE 80 6.076 9.499 4.087
641 1HG1 ILE 80 HG12 ILE 80 7.146 10.196 6.260
642 2HG1 ILE 80 HG11 ILE 80 5.668 9.253 6.466
643 1HG2 ILE 80 HG23 ILE 80 6.919 6.739 5.023
644 2HG2 ILE 80 HG22 ILE 80 5.255 7.299 4.861
645 3HG2 ILE 80 HG21 ILE 80 6.273 7.132 3.430
646 1HD1 ILE 80 HD13 ILE 80 8.074 7.588 6.276
647 2HD1 ILE 80 HD12 ILE 80 8.102 8.687 7.654
648 3HD1 ILE 80 HD11 ILE 80 6.771 7.546 7.464
649 H THR 81 HN THR 81 10.058 7.855 2.828
650 HA THR 81 HA THR 81 8.897 8.237 0.166
651 HB THR 81 HB THR 81 11.226 6.423 0.808
652 HG1 THR 81 HG1 THR 81 12.450 8.445 0.465
653 1HG2 THR 81 HG23 THR 81 10.193 7.960 -1.548
654 2HG2 THR 81 HG22 THR 81 11.928 7.664 -1.420
655 3HG2 THR 81 HG21 THR 81 10.804 6.306 -1.472
656 H LEU 82 HN LEU 82 6.928 7.056 0.277
657 HA LEU 82 HA LEU 82 7.218 4.125 0.731
658 1HB LEU 82 HB2 LEU 82 5.571 4.976 2.206
659 2HB LEU 82 HB1 LEU 82 4.885 6.027 0.968
660 HG LEU 82 HG LEU 82 4.009 4.118 -0.246
661 1HD1 LEU 82 HD13 LEU 82 6.069 2.721 1.071
662 2HD1 LEU 82 HD12 LEU 82 4.569 2.036 1.693
663 3HD1 LEU 82 HD11 LEU 82 4.879 2.049 -0.043
664 1HD2 LEU 82 HD21 LEU 82 3.421 4.535 2.622
665 2HD2 LEU 82 HD23 LEU 82 2.328 4.542 1.239
666 3HD2 LEU 82 HD22 LEU 82 2.827 3.012 1.962
667 H TRP 83 HN TRP 83 6.599 2.699 -0.867
668 HA TRP 83 HA TRP 83 6.301 3.845 -3.570
669 1HB TRP 83 HB2 TRP 83 6.261 0.902 -3.004
670 2HB TRP 83 HB1 TRP 83 6.966 1.761 -4.370
671 HD1 TRP 83 HD1 TRP 83 7.971 -0.003 -1.395
672 HE1 TRP 83 HE1 TRP 83 10.356 0.651 -0.660
673 HE3 TRP 83 HE3 TRP 83 8.613 4.259 -4.142
674 HZ2 TRP 83 HZ2 TRP 83 12.274 2.712 -1.166
675 HZ3 TRP 83 HZ3 TRP 83 10.724 5.550 -3.985
676 HH2 TRP 83 HH2 TRP 83 12.552 4.780 -2.501
677 H PHE 84 HN PHE 84 4.751 2.170 -4.930
678 HA PHE 84 HA PHE 84 2.213 1.776 -3.442
679 1HB PHE 84 HB2 PHE 84 2.739 3.935 -5.281
680 2HB PHE 84 HB1 PHE 84 1.536 2.854 -5.975
681 HD1 PHE 84 HD1 PHE 84 2.377 4.533 -2.731
682 HD2 PHE 84 HD2 PHE 84 -0.700 3.109 -5.368
683 HE1 PHE 84 HE1 PHE 84 0.652 5.514 -1.247
684 HE2 PHE 84 HE2 PHE 84 -2.426 4.087 -3.883
685 HZ PHE 84 HZ PHE 84 -1.752 5.294 -1.828
686 H TRP 85 HN TRP 85 3.091 -0.478 -3.848
687 HA TRP 85 HA TRP 85 3.188 -1.357 -6.633
688 1HB TRP 85 HB2 TRP 85 3.191 -3.013 -4.091
689 2HB TRP 85 HB1 TRP 85 3.670 -3.556 -5.698
690 HD1 TRP 85 HD1 TRP 85 4.758 -1.121 -2.927
691 HE1 TRP 85 HE1 TRP 85 7.277 -0.648 -3.207
692 HE3 TRP 85 HE3 TRP 85 5.639 -3.596 -7.304
693 HZ2 TRP 85 HZ2 TRP 85 9.385 -1.237 -5.045
694 HZ3 TRP 85 HZ3 TRP 85 7.908 -3.625 -8.297
695 HH2 TRP 85 HH2 TRP 85 9.779 -2.449 -7.174
696 H LEU 86 HN LEU 86 1.858 -3.017 -7.475
697 HA LEU 86 HA LEU 86 -0.759 -3.533 -6.224
698 1HB LEU 86 HB2 LEU 86 -0.560 -1.383 -7.936
699 2HB LEU 86 HB1 LEU 86 -0.953 -2.687 -9.055
700 HG LEU 86 HG LEU 86 -2.938 -3.260 -7.772
701 1HD1 LEU 86 HD11 LEU 86 -1.536 -1.970 -5.682
702 2HD1 LEU 86 HD13 LEU 86 -3.002 -1.027 -5.953
703 3HD1 LEU 86 HD12 LEU 86 -3.116 -2.749 -5.593
704 1HD2 LEU 86 HD22 LEU 86 -2.557 -0.341 -8.438
705 2HD2 LEU 86 HD21 LEU 86 -3.448 -1.567 -9.341
706 3HD2 LEU 86 HD23 LEU 86 -4.100 -0.940 -7.827
707 H VAL 87 HN VAL 87 -0.268 -5.746 -6.248
708 HA VAL 87 HA VAL 87 0.746 -6.907 -8.766
709 HB VAL 87 HB VAL 87 0.816 -8.996 -7.376
710 1HG1 VAL 87 HG13 VAL 87 2.541 -6.845 -7.455
711 2HG1 VAL 87 HG12 VAL 87 2.334 -7.118 -5.724
712 3HG1 VAL 87 HG11 VAL 87 2.918 -8.421 -6.760
713 1HG2 VAL 87 HG22 VAL 87 -0.998 -8.018 -5.819
714 2HG2 VAL 87 HG21 VAL 87 0.307 -8.962 -5.100
715 3HG2 VAL 87 HG23 VAL 87 0.350 -7.200 -5.028
716 H GLU 88 HN GLU 88 -0.345 -9.222 -9.191
717 HA GLU 88 HA GLU 88 -3.257 -8.640 -9.366
718 1HB GLU 88 HB2 GLU 88 -1.546 -9.052 -11.383
719 2HB GLU 88 HB1 GLU 88 -1.995 -10.728 -11.059
720 1HG GLU 88 HG2 GLU 88 -3.923 -10.404 -12.138
721 2HG GLU 88 HG1 GLU 88 -4.368 -9.187 -10.941
722 H ARG 89 HN ARG 89 -0.970 -11.130 -8.273
723 HA ARG 89 HA ARG 89 -3.146 -12.483 -6.880
724 1HB ARG 89 HB2 ARG 89 -1.832 -13.662 -9.318
725 2HB ARG 89 HB1 ARG 89 -2.455 -14.708 -8.043
726 1HG ARG 89 HG2 ARG 89 -4.425 -14.539 -9.144
727 2HG ARG 89 HG1 ARG 89 -4.532 -12.949 -8.393
728 1HD ARG 89 HD2 ARG 89 -3.103 -12.174 -10.448
729 2HD ARG 89 HD1 ARG 89 -3.676 -13.667 -11.185
730 HE ARG 89 HE ARG 89 -5.203 -11.399 -11.221
731 1HH1 ARG 89 HH11 ARG 89 -6.482 -11.748 -8.701
732 2HH1 ARG 89 HH12 ARG 89 -7.755 -12.884 -9.002
733 1HH2 ARG 89 HH21 ARG 89 -6.399 -14.022 -11.979
734 2HH2 ARG 89 HH22 ARG 89 -7.706 -14.172 -10.852
735 H TRP 90 HN TRP 90 -2.374 -14.060 -5.368
736 HA TRP 90 HA TRP 90 0.440 -14.727 -5.230
737 1HB TRP 90 HB2 TRP 90 0.974 -13.617 -3.141
738 2HB TRP 90 HB1 TRP 90 0.504 -12.427 -4.329
739 HD1 TRP 90 HD1 TRP 90 0.064 -13.134 -0.899
740 HE1 TRP 90 HE1 TRP 90 -2.046 -12.086 0.113
741 HE3 TRP 90 HE3 TRP 90 -2.480 -11.992 -5.204
742 HZ2 TRP 90 HZ2 TRP 90 -4.510 -10.947 -0.787
743 HZ3 TRP 90 HZ3 TRP 90 -4.712 -10.945 -5.066
744 HH2 TRP 90 HH2 TRP 90 -5.726 -10.408 -2.878
745 H GLU 91 HN GLU 91 0.621 -15.462 -2.573
746 HA GLU 91 HA GLU 91 -1.315 -17.697 -2.547
747 1HB GLU 91 HB2 GLU 91 1.068 -18.192 -2.224
748 2HB GLU 91 HB1 GLU 91 1.102 -17.154 -0.799
749 1HG GLU 91 HG2 GLU 91 -0.844 -18.648 0.051
750 2HG GLU 91 HG1 GLU 91 -0.299 -19.784 -1.181
751 H GLY 92 HN GLY 92 -0.142 -16.843 0.569
752 1HA GLY 92 HA2 GLY 92 -2.581 -16.717 1.867
753 2HA GLY 92 HA1 GLY 92 -1.178 -15.815 2.421
754 H GLU 93 HN GLU 93 -3.580 -14.514 2.855
755 HA GLU 93 HA GLU 93 -3.738 -12.576 0.606
756 1HB GLU 93 HB2 GLU 93 -5.967 -12.106 2.083
757 2HB GLU 93 HB1 GLU 93 -5.903 -13.189 0.701
758 1HG GLU 93 HG2 GLU 93 -5.342 -15.060 2.279
759 2HG GLU 93 HG1 GLU 93 -5.622 -13.943 3.617
760 HA PRO 94 HA PRO 94 -2.785 -10.112 4.579
761 1HB PRO 94 HB2 PRO 94 -0.202 -10.627 5.287
762 2HB PRO 94 HB1 PRO 94 -1.538 -11.632 5.847
763 1HG PRO 94 HG2 PRO 94 0.520 -12.257 3.790
764 2HG PRO 94 HG1 PRO 94 -0.418 -13.355 4.808
765 1HD PRO 94 HD2 PRO 94 -0.941 -12.669 2.080
766 2HD PRO 94 HD1 PRO 94 -1.911 -13.677 3.156
767 H TRP 95 HN TRP 95 0.446 -9.610 4.268
768 HA TRP 95 HA TRP 95 1.867 -8.459 2.869
769 1HB TRP 95 HB2 TRP 95 -0.072 -9.293 1.057
770 2HB TRP 95 HB1 TRP 95 0.071 -7.546 0.811
771 HD1 TRP 95 HD1 TRP 95 2.735 -10.123 1.847
772 HE1 TRP 95 HE1 TRP 95 4.736 -9.939 0.245
773 HE3 TRP 95 HE3 TRP 95 0.925 -6.602 -1.380
774 HZ2 TRP 95 HZ2 TRP 95 5.473 -8.466 -2.117
775 HZ3 TRP 95 HZ3 TRP 95 2.298 -5.827 -3.292
776 HH2 TRP 95 HH2 TRP 95 4.565 -6.755 -3.663
777 H GLY 96 HN GLY 96 1.677 -7.080 4.730
778 1HA GLY 96 HA2 GLY 96 1.707 -4.448 4.156
779 2HA GLY 96 HA1 GLY 96 0.012 -4.681 4.524
780 H LYS 97 HN LYS 97 -0.449 -4.218 6.639
781 HA LYS 97 HA LYS 97 1.756 -4.317 8.620
782 1HB LYS 97 HB2 LYS 97 -0.536 -2.660 8.231
783 2HB LYS 97 HB1 LYS 97 -0.716 -3.473 9.786
784 1HG LYS 97 HG2 LYS 97 1.782 -2.810 10.149
785 2HG LYS 97 HG1 LYS 97 1.483 -1.638 8.863
786 1HD LYS 97 HD2 LYS 97 -0.482 -0.791 10.155
787 2HD LYS 97 HD1 LYS 97 -0.045 -1.882 11.470
788 1HE LYS 97 HE2 LYS 97 1.999 -0.745 11.879
789 2HE LYS 97 HE1 LYS 97 1.923 0.109 10.338
790 1HZ LYS 97 HZ1 LYS 97 -0.320 0.510 12.143
791 2HZ LYS 97 HZ3 LYS 97 1.157 1.183 12.636
792 3HZ LYS 97 HZ2 LYS 97 0.483 1.621 11.139
793 H GLU 98 HN GLU 98 1.660 -5.602 10.495
794 HA GLU 98 HA GLU 98 -0.111 -7.958 10.285
795 1HB GLU 98 HB2 GLU 98 1.295 -8.921 12.027
796 2HB GLU 98 HB1 GLU 98 2.332 -8.213 10.787
797 1HG GLU 98 HG2 GLU 98 2.654 -6.210 12.142
798 2HG GLU 98 HG1 GLU 98 1.524 -6.813 13.354
799 H GLY 99 HN GLY 99 0.432 -5.156 12.357
800 1HA GLY 99 HA2 GLY 99 -1.597 -6.078 14.286
801 2HA GLY 99 HA1 GLY 99 -0.670 -4.583 14.402
802 H GLN 100 HN GLN 100 -1.523 -4.423 11.346
803 HA GLN 100 HA GLN 100 -4.010 -2.920 11.943
804 1HB GLN 100 HB2 GLN 100 -1.969 -1.865 10.776
805 2HB GLN 100 HB1 GLN 100 -2.436 -2.825 9.371
806 1HG GLN 100 HG2 GLN 100 -4.453 -1.699 9.101
807 2HG GLN 100 HG1 GLN 100 -4.490 -1.161 10.780
808 1HE2 GLN 100 HE22 GLN 100 -1.968 1.435 10.114
809 2HE2 GLN 100 HE21 GLN 100 -2.240 0.200 11.248
810 HA PRO 101 HA PRO 101 -6.010 -6.483 10.053
811 1HB PRO 101 HB2 PRO 101 -8.526 -5.140 10.272
812 2HB PRO 101 HB1 PRO 101 -7.895 -6.422 11.315
813 1HG PRO 101 HG2 PRO 101 -8.191 -3.603 11.929
814 2HG PRO 101 HG1 PRO 101 -7.651 -4.905 12.998
815 1HD PRO 101 HD2 PRO 101 -6.052 -2.829 11.826
816 2HD PRO 101 HD1 PRO 101 -5.500 -4.177 12.841
817 H GLY 102 HN GLY 102 -5.449 -6.327 7.850
818 1HA GLY 102 HA2 GLY 102 -6.131 -4.095 6.183
819 2HA GLY 102 HA1 GLY 102 -5.662 -5.684 5.591
820 H GLU 103 HN GLU 103 -7.690 -4.496 4.159
821 HA GLU 103 HA GLU 103 -9.971 -6.222 4.931
822 1HB GLU 103 HB2 GLU 103 -11.481 -4.157 4.328
823 2HB GLU 103 HB1 GLU 103 -10.822 -4.317 5.956
824 1HG GLU 103 HG2 GLU 103 -8.822 -2.937 5.062
825 2HG GLU 103 HG1 GLU 103 -9.890 -2.517 3.724
826 H TRP 104 HN TRP 104 -10.926 -7.105 3.180
827 HA TRP 104 HA TRP 104 -9.828 -6.481 0.537
828 1HB TRP 104 HB2 TRP 104 -12.143 -8.279 0.574
829 2HB TRP 104 HB1 TRP 104 -10.525 -8.553 -0.063
830 HD1 TRP 104 HD1 TRP 104 -8.753 -8.398 2.437
831 HE1 TRP 104 HE1 TRP 104 -8.955 -10.120 4.345
832 HE3 TRP 104 HE3 TRP 104 -13.482 -10.113 1.575
833 HZ2 TRP 104 HZ2 TRP 104 -10.873 -11.983 5.369
834 HZ3 TRP 104 HZ3 TRP 104 -14.472 -11.858 3.029
835 HH2 TRP 104 HH2 TRP 104 -13.175 -12.793 4.923
836 H MET 105 HN MET 105 -10.623 -4.406 -0.027
837 HA MET 105 HA MET 105 -13.486 -3.849 0.191
838 1HB MET 105 HB2 MET 105 -12.757 -1.709 -0.931
839 2HB MET 105 HB1 MET 105 -11.972 -2.026 0.607
840 1HG MET 105 HG2 MET 105 -9.946 -2.108 -0.372
841 2HG MET 105 HG1 MET 105 -10.520 -3.256 -1.582
842 1HE MET 105 HE2 MET 105 -11.011 0.418 -0.439
843 2HE MET 105 HE1 MET 105 -9.307 0.221 -0.839
844 3HE MET 105 HE3 MET 105 -10.325 1.305 -1.798
845 H SER 106 HN SER 106 -14.574 -2.960 -1.869
846 HA SER 106 HA SER 106 -14.060 -4.896 -4.058
847 1HB SER 106 HB2 SER 106 -16.409 -3.841 -2.896
848 2HB SER 106 HB1 SER 106 -16.325 -3.166 -4.521
849 HG SER 106 HG SER 106 -17.041 -5.599 -3.810
850 H LEU 107 HN LEU 107 -13.644 -4.211 -6.174
851 HA LEU 107 HA LEU 107 -12.714 -1.396 -6.426
852 1HB LEU 107 HB2 LEU 107 -11.360 -3.640 -7.036
853 2HB LEU 107 HB1 LEU 107 -12.212 -3.418 -8.564
854 HG LEU 107 HG LEU 107 -10.768 -1.118 -7.264
855 1HD1 LEU 107 HD13 LEU 107 -9.578 -3.530 -8.324
856 2HD1 LEU 107 HD12 LEU 107 -9.165 -2.153 -9.346
857 3HD1 LEU 107 HD11 LEU 107 -8.782 -2.119 -7.626
858 1HD2 LEU 107 HD22 LEU 107 -11.875 -1.823 -9.965
859 2HD2 LEU 107 HD21 LEU 107 -12.066 -0.334 -9.036
860 3HD2 LEU 107 HD23 LEU 107 -10.540 -0.675 -9.854
861 H VAL 108 HN VAL 108 -15.277 -1.226 -6.470
862 HA VAL 108 HA VAL 108 -16.304 -1.680 -9.227
863 HB VAL 108 HB VAL 108 -17.814 -0.666 -6.803
864 1HG1 VAL 108 HG12 VAL 108 -18.756 -0.295 -9.128
865 2HG1 VAL 108 HG11 VAL 108 -18.821 -2.049 -9.302
866 3HG1 VAL 108 HG13 VAL 108 -19.780 -1.249 -8.056
867 1HG2 VAL 108 HG23 VAL 108 -16.702 -3.247 -7.261
868 2HG2 VAL 108 HG22 VAL 108 -17.820 -2.766 -5.985
869 3HG2 VAL 108 HG21 VAL 108 -18.442 -3.376 -7.519
870 H GLY 109 HN GLY 109 -15.314 0.844 -7.044
871 1HA GLY 109 HA2 GLY 109 -15.353 2.791 -9.213
872 2HA GLY 109 HA1 GLY 109 -16.548 3.132 -7.957
873 H LEU 110 HN LEU 110 -13.365 1.656 -7.478
874 HA LEU 110 HA LEU 110 -12.641 2.984 -5.193
875 1HB LEU 110 HB2 LEU 110 -11.294 1.497 -7.222
876 2HB LEU 110 HB1 LEU 110 -10.309 2.908 -6.842
877 HG LEU 110 HG LEU 110 -11.463 1.006 -4.788
878 1HD1 LEU 110 HD13 LEU 110 -8.629 1.290 -5.843
879 2HD1 LEU 110 HD12 LEU 110 -9.129 0.231 -4.523
880 3HD1 LEU 110 HD11 LEU 110 -9.712 -0.064 -6.161
881 1HD2 LEU 110 HD21 LEU 110 -10.012 3.591 -4.689
882 2HD2 LEU 110 HD23 LEU 110 -11.100 2.867 -3.505
883 3HD2 LEU 110 HD22 LEU 110 -9.416 2.349 -3.587
884 H ASN 111 HN ASN 111 -11.643 5.001 -4.698
885 HA ASN 111 HA ASN 111 -11.008 6.875 -6.868
886 1HB ASN 111 HB2 ASN 111 -13.612 6.866 -6.127
887 2HB ASN 111 HB1 ASN 111 -12.966 8.001 -4.941
888 1HD2 ASN 111 HD22 ASN 111 -12.534 10.590 -7.295
889 2HD2 ASN 111 HD21 ASN 111 -12.458 10.108 -5.670
890 H ALA 112 HN ALA 112 -10.117 8.941 -5.970
891 HA ALA 112 HA ALA 112 -8.242 8.470 -3.871
892 1HB ALA 112 HB3 ALA 112 -9.298 11.059 -5.056
893 2HB ALA 112 HB2 ALA 112 -7.945 10.976 -3.927
894 3HB ALA 112 HB1 ALA 112 -7.821 10.209 -5.510
895 H ASP 113 HN ASP 113 -11.580 9.247 -3.785
896 HA ASP 113 HA ASP 113 -11.680 10.706 -1.316
897 1HB ASP 113 HB2 ASP 113 -13.489 10.286 -3.184
898 2HB ASP 113 HB1 ASP 113 -13.903 8.898 -2.185
899 H ASP 114 HN ASP 114 -11.635 7.283 -2.136
900 HA ASP 114 HA ASP 114 -12.201 6.427 0.600
901 1HB ASP 114 HB2 ASP 114 -11.893 5.192 -2.011
902 2HB ASP 114 HB1 ASP 114 -10.963 4.322 -0.791
903 H PHE 115 HN PHE 115 -9.643 7.975 -0.736
904 HA PHE 115 HA PHE 115 -7.742 6.681 1.168
905 1HB PHE 115 HB2 PHE 115 -7.405 7.312 -1.728
906 2HB PHE 115 HB1 PHE 115 -6.017 7.571 -0.671
907 HD1 PHE 115 HD1 PHE 115 -5.213 5.645 0.797
908 HD2 PHE 115 HD2 PHE 115 -8.067 5.131 -2.371
909 HE1 PHE 115 HE1 PHE 115 -4.767 3.207 0.783
910 HE2 PHE 115 HE2 PHE 115 -7.620 2.695 -2.384
911 HZ PHE 115 HZ PHE 115 -5.968 1.731 -0.805
912 HA PRO 116 HA PRO 116 -8.173 10.895 2.747
913 1HB PRO 116 HB2 PRO 116 -5.835 10.021 4.325
914 2HB PRO 116 HB1 PRO 116 -7.404 10.616 4.886
915 1HG PRO 116 HG2 PRO 116 -6.547 7.930 4.903
916 2HG PRO 116 HG1 PRO 116 -8.211 8.488 5.121
917 1HD PRO 116 HD2 PRO 116 -7.104 7.050 2.871
918 2HD PRO 116 HD1 PRO 116 -8.780 7.587 3.113
919 HA PRO 117 HA PRO 117 -5.222 13.164 0.481
920 1HB PRO 117 HB2 PRO 117 -4.482 14.936 2.635
921 2HB PRO 117 HB1 PRO 117 -5.574 15.252 1.278
922 1HG PRO 117 HG2 PRO 117 -6.282 14.821 4.037
923 2HG PRO 117 HG1 PRO 117 -7.369 15.121 2.674
924 1HD PRO 117 HD2 PRO 117 -6.976 12.650 4.095
925 2HD PRO 117 HD1 PRO 117 -8.038 12.947 2.705
926 H ALA 118 HN ALA 118 -3.132 12.729 -0.012
927 HA ALA 118 HA ALA 118 -0.834 12.987 1.459
928 1HB ALA 118 HB1 ALA 118 -2.247 10.422 2.145
929 2HB ALA 118 HB3 ALA 118 -0.484 10.473 2.134
930 3HB ALA 118 HB2 ALA 118 -1.391 11.537 3.210
931 H ASN 119 HN ASN 119 -2.283 10.215 -0.283
932 HA ASN 119 HA ASN 119 0.013 10.266 -2.145
933 1HB ASN 119 HB2 ASN 119 -2.057 8.104 -1.689
934 2HB ASN 119 HB1 ASN 119 -0.546 7.969 -2.566
935 1HD2 ASN 119 HD22 ASN 119 -0.010 6.642 0.899
936 2HD2 ASN 119 HD21 ASN 119 -1.051 6.233 -0.378
937 H GLU 120 HN GLU 120 -2.019 12.201 -2.427
938 HA GLU 120 HA GLU 120 -4.160 11.476 -4.137
939 1HB GLU 120 HB2 GLU 120 -2.726 14.133 -4.171
940 2HB GLU 120 HB1 GLU 120 -4.416 13.814 -4.566
941 1HG GLU 120 HG2 GLU 120 -3.771 12.799 -1.927
942 2HG GLU 120 HG1 GLU 120 -3.387 14.517 -2.049
943 HA PRO 121 HA PRO 121 -1.211 12.770 -7.791
944 1HB PRO 121 HB2 PRO 121 1.417 11.824 -7.150
945 2HB PRO 121 HB1 PRO 121 0.897 13.492 -7.423
946 1HG PRO 121 HG2 PRO 121 1.648 12.285 -4.927
947 2HG PRO 121 HG1 PRO 121 1.077 13.938 -5.197
948 1HD PRO 121 HD2 PRO 121 -0.350 11.709 -4.011
949 2HD PRO 121 HD1 PRO 121 -0.876 13.398 -4.146
950 H VAL 122 HN VAL 122 -0.399 9.829 -5.885
951 HA VAL 122 HA VAL 122 -0.165 8.310 -8.409
952 HB VAL 122 HB VAL 122 0.894 8.051 -5.762
953 1HG1 VAL 122 HG12 VAL 122 -0.903 5.788 -6.621
954 2HG1 VAL 122 HG11 VAL 122 0.518 5.502 -5.620
955 3HG1 VAL 122 HG13 VAL 122 -0.771 6.549 -5.035
956 1HG2 VAL 122 HG21 VAL 122 1.523 7.427 -8.412
957 2HG2 VAL 122 HG23 VAL 122 2.555 7.183 -7.003
958 3HG2 VAL 122 HG22 VAL 122 1.521 5.874 -7.578
959 H ILE 123 HN ILE 123 -2.247 8.598 -5.602
960 HA ILE 123 HA ILE 123 -4.098 6.530 -6.121
961 HB ILE 123 HB ILE 123 -4.467 9.288 -4.930
962 1HG1 ILE 123 HG12 ILE 123 -2.893 7.471 -3.914
963 2HG1 ILE 123 HG11 ILE 123 -4.045 8.281 -2.854
964 1HG2 ILE 123 HG22 ILE 123 -6.351 7.023 -5.380
965 2HG2 ILE 123 HG21 ILE 123 -6.460 7.883 -3.843
966 3HG2 ILE 123 HG23 ILE 123 -6.662 8.759 -5.360
967 1HD1 ILE 123 HD13 ILE 123 -4.714 5.686 -4.254
968 2HD1 ILE 123 HD12 ILE 123 -3.928 5.719 -2.675
969 3HD1 ILE 123 HD11 ILE 123 -5.534 6.421 -2.876
970 H ALA 124 HN ALA 124 -3.712 9.763 -7.465
971 HA ALA 124 HA ALA 124 -6.185 9.959 -8.851
972 1HB ALA 124 HB3 ALA 124 -3.787 11.434 -8.718
973 2HB ALA 124 HB2 ALA 124 -4.015 11.050 -10.424
974 3HB ALA 124 HB1 ALA 124 -5.277 11.903 -9.536
975 H LYS 125 HN LYS 125 -3.168 8.325 -9.713
976 HA LYS 125 HA LYS 125 -3.973 7.647 -12.394
977 1HB LYS 125 HB2 LYS 125 -1.637 7.412 -10.850
978 2HB LYS 125 HB1 LYS 125 -2.102 5.757 -11.243
979 1HG LYS 125 HG2 LYS 125 -0.776 6.418 -13.082
980 2HG LYS 125 HG1 LYS 125 -2.429 6.634 -13.656
981 1HD LYS 125 HD2 LYS 125 -1.860 8.764 -14.138
982 2HD LYS 125 HD1 LYS 125 -1.830 9.050 -12.396
983 1HE LYS 125 HE2 LYS 125 0.577 7.845 -13.722
984 2HE LYS 125 HE1 LYS 125 0.304 9.583 -13.848
985 1HZ LYS 125 HZ2 LYS 125 -0.004 9.505 -11.346
986 2HZ LYS 125 HZ1 LYS 125 0.693 7.957 -11.409
987 3HZ LYS 125 HZ3 LYS 125 1.579 9.307 -11.929
988 H LEU 126 HN LEU 126 -3.744 5.650 -9.424
989 HA LEU 126 HA LEU 126 -4.846 3.296 -10.446
990 1HB LEU 126 HB2 LEU 126 -5.941 3.823 -7.797
991 2HB LEU 126 HB1 LEU 126 -4.835 2.568 -8.327
992 HG LEU 126 HG LEU 126 -4.028 5.408 -7.658
993 1HD1 LEU 126 HD13 LEU 126 -3.800 2.800 -6.137
994 2HD1 LEU 126 HD12 LEU 126 -2.917 4.265 -5.707
995 3HD1 LEU 126 HD11 LEU 126 -4.679 4.247 -5.644
996 1HD2 LEU 126 HD22 LEU 126 -2.751 3.585 -9.295
997 2HD2 LEU 126 HD21 LEU 126 -1.945 4.879 -8.407
998 3HD2 LEU 126 HD23 LEU 126 -2.021 3.256 -7.724
999 H LYS 127 HN LYS 127 -6.449 6.325 -10.015
1000 HA LYS 127 HA LYS 127 -9.085 5.665 -9.512
1001 1HB LYS 127 HB2 LYS 127 -7.818 7.644 -11.402
1002 2HB LYS 127 HB1 LYS 127 -9.557 7.541 -11.207
1003 1HG LYS 127 HG2 LYS 127 -8.757 7.570 -8.601
1004 2HG LYS 127 HG1 LYS 127 -7.527 8.589 -9.348
1005 1HD LYS 127 HD2 LYS 127 -9.126 10.134 -10.153
1006 2HD LYS 127 HD1 LYS 127 -10.460 9.000 -9.925
1007 1HE LYS 127 HE2 LYS 127 -10.619 9.424 -7.678
1008 2HE LYS 127 HE1 LYS 127 -8.886 9.702 -7.500
1009 1HZ LYS 127 HZ3 LYS 127 -10.681 11.581 -8.926
1010 2HZ LYS 127 HZ2 LYS 127 -10.344 11.711 -7.265
1011 3HZ LYS 127 HZ1 LYS 127 -9.091 11.854 -8.405
1012 H ARG 128 HN ARG 128 -7.367 5.494 -12.624
1013 HA ARG 128 HA ARG 128 -9.653 4.069 -13.805
1014 1HB ARG 128 HB2 ARG 128 -7.313 5.583 -14.804
1015 2HB ARG 128 HB1 ARG 128 -7.817 4.211 -15.783
1016 1HG ARG 128 HG2 ARG 128 -10.204 5.155 -15.566
1017 2HG ARG 128 HG1 ARG 128 -9.426 6.633 -14.997
1018 1HD ARG 128 HD2 ARG 128 -7.947 6.338 -17.157
1019 2HD ARG 128 HD1 ARG 128 -9.300 5.351 -17.708
1020 HE ARG 128 HE ARG 128 -10.495 7.683 -16.793
1021 1HH1 ARG 128 HH11 ARG 128 -7.490 7.832 -18.231
1022 2HH1 ARG 128 HH12 ARG 128 -7.989 8.759 -19.607
1023 1HH2 ARG 128 HH21 ARG 128 -11.371 8.471 -18.912
1024 2HH2 ARG 128 HH22 ARG 128 -10.184 9.120 -19.992
1025 H LEU 129 HN LEU 129 -8.448 2.572 -11.824
1026 HA LEU 129 HA LEU 129 -6.271 0.945 -12.581
1027 1HB LEU 129 HB2 LEU 129 -8.522 0.794 -10.653
1028 2HB LEU 129 HB1 LEU 129 -7.741 -0.727 -11.056
1029 HG LEU 129 HG LEU 129 -5.954 1.579 -10.477
1030 1HD1 LEU 129 HD12 LEU 129 -7.997 0.610 -8.620
1031 2HD1 LEU 129 HD11 LEU 129 -6.363 0.440 -7.976
1032 3HD1 LEU 129 HD13 LEU 129 -6.946 2.021 -8.495
1033 1HD2 LEU 129 HD22 LEU 129 -5.656 -1.145 -10.877
1034 2HD2 LEU 129 HD21 LEU 129 -4.451 -0.087 -10.145
1035 3HD2 LEU 129 HD23 LEU 129 -5.562 -0.998 -9.122
No H/Q in entry = 1035
Start of MODEL 4
1 1H MET 1 HT2 MET 1 14.932 16.196 10.148
2 2H MET 1 HT1 MET 1 13.500 17.093 10.328
3 3H MET 1 HT3 MET 1 13.432 15.489 9.781
4 HA MET 1 HA MET 1 13.121 16.925 7.911
5 1HB MET 1 HB2 MET 1 14.445 18.797 9.175
6 2HB MET 1 HB1 MET 1 15.858 18.082 8.396
7 1HG MET 1 HG2 MET 1 15.241 18.801 6.318
8 2HG MET 1 HG1 MET 1 13.526 18.541 6.627
9 1HE MET 1 HE2 MET 1 12.553 20.150 5.756
10 2HE MET 1 HE1 MET 1 11.846 20.802 7.232
11 3HE MET 1 HE3 MET 1 12.611 21.884 6.060
12 H LYS 2 HN LYS 2 13.501 14.479 7.604
13 HA LYS 2 HA LYS 2 16.010 14.148 6.026
14 1HB LYS 2 HB2 LYS 2 15.420 12.847 8.481
15 2HB LYS 2 HB1 LYS 2 15.245 11.640 7.206
16 1HG LYS 2 HG2 LYS 2 17.472 12.152 6.356
17 2HG LYS 2 HG1 LYS 2 17.650 13.457 7.529
18 1HD LYS 2 HD2 LYS 2 18.797 11.360 8.247
19 2HD LYS 2 HD1 LYS 2 17.539 11.867 9.376
20 1HE LYS 2 HE2 LYS 2 16.299 10.015 8.989
21 2HE LYS 2 HE1 LYS 2 16.522 10.134 7.243
22 1HZ LYS 2 HZ1 LYS 2 18.531 9.083 9.159
23 2HZ LYS 2 HZ3 LYS 2 17.538 8.132 8.165
24 3HZ LYS 2 HZ2 LYS 2 18.702 9.158 7.471
25 H LYS 3 HN LYS 3 15.663 11.738 4.925
26 HA LYS 3 HA LYS 3 13.040 12.001 3.522
27 1HB LYS 3 HB2 LYS 3 15.682 10.781 2.686
28 2HB LYS 3 HB1 LYS 3 14.193 10.572 1.763
29 1HG LYS 3 HG2 LYS 3 14.002 12.929 1.368
30 2HG LYS 3 HG1 LYS 3 15.276 13.291 2.532
31 1HD LYS 3 HD2 LYS 3 16.198 13.447 0.283
32 2HD LYS 3 HD1 LYS 3 16.888 12.037 1.088
33 1HE LYS 3 HE2 LYS 3 15.148 10.616 -0.010
34 2HE LYS 3 HE1 LYS 3 14.595 12.037 -0.896
35 1HZ LYS 3 HZ1 LYS 3 17.399 11.776 -1.121
36 2HZ LYS 3 HZ3 LYS 3 16.654 10.326 -1.586
37 3HZ LYS 3 HZ2 LYS 3 16.224 11.781 -2.350
38 H LEU 4 HN LEU 4 11.901 10.800 5.188
39 HA LEU 4 HA LEU 4 12.744 8.043 5.746
40 1HB LEU 4 HB2 LEU 4 11.678 9.363 7.522
41 2HB LEU 4 HB1 LEU 4 10.234 9.558 6.528
42 HG LEU 4 HG LEU 4 10.587 6.831 6.490
43 1HD1 LEU 4 HD11 LEU 4 12.162 7.815 8.641
44 2HD1 LEU 4 HD13 LEU 4 10.733 7.066 9.353
45 3HD1 LEU 4 HD12 LEU 4 11.772 6.135 8.272
46 1HD2 LEU 4 HD21 LEU 4 8.500 8.173 6.898
47 2HD2 LEU 4 HD23 LEU 4 8.652 6.775 7.962
48 3HD2 LEU 4 HD22 LEU 4 9.021 8.388 8.570
49 H GLN 5 HN GLN 5 12.116 6.314 4.562
50 HA GLN 5 HA GLN 5 9.795 6.654 2.701
51 1HB GLN 5 HB2 GLN 5 12.258 4.914 2.357
52 2HB GLN 5 HB1 GLN 5 10.922 5.041 1.213
53 1HG GLN 5 HG2 GLN 5 11.877 6.851 0.283
54 2HG GLN 5 HG1 GLN 5 11.838 7.684 1.839
55 1HE2 GLN 5 HE22 GLN 5 15.409 7.611 1.219
56 2HE2 GLN 5 HE21 GLN 5 14.027 8.532 0.869
57 H ILE 6 HN ILE 6 8.547 4.633 2.323
58 HA ILE 6 HA ILE 6 8.904 2.606 4.476
59 HB ILE 6 HB ILE 6 6.945 4.510 4.654
60 1HG1 ILE 6 HG12 ILE 6 6.651 1.635 5.561
61 2HG1 ILE 6 HG11 ILE 6 7.710 2.811 6.340
62 1HG2 ILE 6 HG21 ILE 6 5.912 3.398 2.548
63 2HG2 ILE 6 HG23 ILE 6 5.477 2.078 3.633
64 3HG2 ILE 6 HG22 ILE 6 4.850 3.701 3.922
65 1HD1 ILE 6 HD11 ILE 6 5.053 3.913 5.958
66 2HD1 ILE 6 HD13 ILE 6 4.982 2.404 6.868
67 3HD1 ILE 6 HD12 ILE 6 5.981 3.737 7.448
68 H ALA 7 HN ALA 7 6.976 0.826 3.879
69 HA ALA 7 HA ALA 7 7.129 0.343 0.945
70 1HB ALA 7 HB3 ALA 7 8.969 -0.891 2.241
71 2HB ALA 7 HB2 ALA 7 7.673 -1.848 2.956
72 3HB ALA 7 HB1 ALA 7 7.936 -1.884 1.213
73 H VAL 8 HN VAL 8 4.962 0.458 0.502
74 HA VAL 8 HA VAL 8 3.114 -1.142 2.248
75 HB VAL 8 HB VAL 8 2.589 1.265 2.189
76 1HG1 VAL 8 HG11 VAL 8 3.614 1.690 -0.042
77 2HG1 VAL 8 HG13 VAL 8 2.264 0.841 -0.796
78 3HG1 VAL 8 HG12 VAL 8 1.981 2.344 0.082
79 1HG2 VAL 8 HG21 VAL 8 0.806 -0.655 2.073
80 2HG2 VAL 8 HG23 VAL 8 0.286 1.010 1.812
81 3HG2 VAL 8 HG22 VAL 8 0.534 -0.064 0.435
82 H GLY 9 HN GLY 9 1.834 -2.709 1.272
83 1HA GLY 9 HA2 GLY 9 2.206 -3.035 -1.679
84 2HA GLY 9 HA1 GLY 9 2.177 -4.405 -0.572
85 H ILE 10 HN ILE 10 0.355 -3.001 -2.818
86 HA ILE 10 HA ILE 10 -2.216 -3.392 -1.373
87 HB ILE 10 HB ILE 10 -2.196 -2.332 -4.145
88 1HG1 ILE 10 HG12 ILE 10 -1.408 -0.488 -1.884
89 2HG1 ILE 10 HG11 ILE 10 -0.198 -1.241 -2.923
90 1HG2 ILE 10 HG22 ILE 10 -3.560 -1.601 -1.551
91 2HG2 ILE 10 HG21 ILE 10 -3.853 -0.788 -3.090
92 3HG2 ILE 10 HG23 ILE 10 -4.255 -2.495 -2.905
93 1HD1 ILE 10 HD12 ILE 10 -2.293 -0.181 -4.570
94 2HD1 ILE 10 HD11 ILE 10 -1.745 1.077 -3.466
95 3HD1 ILE 10 HD13 ILE 10 -0.591 0.276 -4.531
96 H ILE 11 HN ILE 11 -3.692 -4.944 -2.220
97 HA ILE 11 HA ILE 11 -2.609 -6.545 -4.506
98 HB ILE 11 HB ILE 11 -4.385 -8.102 -2.836
99 1HG1 ILE 11 HG12 ILE 11 -3.079 -6.429 -1.179
100 2HG1 ILE 11 HG11 ILE 11 -3.410 -8.104 -0.780
101 1HG2 ILE 11 HG21 ILE 11 -2.802 -8.922 -4.571
102 2HG2 ILE 11 HG23 ILE 11 -1.458 -8.469 -3.526
103 3HG2 ILE 11 HG22 ILE 11 -2.584 -9.724 -3.016
104 1HD1 ILE 11 HD11 ILE 11 -1.142 -8.721 -1.673
105 2HD1 ILE 11 HD13 ILE 11 -0.810 -7.003 -1.884
106 3HD1 ILE 11 HD12 ILE 11 -1.081 -7.658 -0.269
107 H ARG 12 HN ARG 12 -4.241 -7.557 -5.832
108 HA ARG 12 HA ARG 12 -7.050 -6.780 -5.470
109 1HB ARG 12 HB2 ARG 12 -5.903 -4.778 -6.523
110 2HB ARG 12 HB1 ARG 12 -5.566 -5.798 -7.921
111 1HG ARG 12 HG2 ARG 12 -7.790 -5.912 -8.550
112 2HG ARG 12 HG1 ARG 12 -8.375 -5.687 -6.902
113 1HD ARG 12 HD2 ARG 12 -8.679 -3.505 -7.354
114 2HD ARG 12 HD1 ARG 12 -6.934 -3.342 -7.545
115 HE ARG 12 HE ARG 12 -8.627 -2.940 -9.655
116 1HH1 ARG 12 HH11 ARG 12 -8.920 -5.462 -10.733
117 2HH1 ARG 12 HH12 ARG 12 -7.444 -5.830 -11.561
118 1HH2 ARG 12 HH21 ARG 12 -5.606 -3.393 -9.909
119 2HH2 ARG 12 HH22 ARG 12 -5.566 -4.657 -11.092
120 H ASN 13 HN ASN 13 -8.236 -8.524 -6.209
121 HA ASN 13 HA ASN 13 -7.407 -9.903 -8.679
122 1HB ASN 13 HB2 ASN 13 -7.425 -12.131 -7.538
123 2HB ASN 13 HB1 ASN 13 -6.053 -11.119 -7.093
124 1HD2 ASN 13 HD22 ASN 13 -7.433 -12.415 -3.909
125 2HD2 ASN 13 HD21 ASN 13 -6.622 -13.053 -5.256
126 H GLU 14 HN GLU 14 -8.890 -12.154 -8.546
127 HA GLU 14 HA GLU 14 -11.054 -13.006 -8.715
128 1HB GLU 14 HB2 GLU 14 -11.265 -11.065 -6.465
129 2HB GLU 14 HB1 GLU 14 -12.768 -11.648 -7.183
130 1HG GLU 14 HG2 GLU 14 -11.371 -13.978 -6.977
131 2HG GLU 14 HG1 GLU 14 -10.757 -13.105 -5.574
132 H ASN 15 HN ASN 15 -12.073 -9.754 -8.060
133 HA ASN 15 HA ASN 15 -12.812 -9.413 -10.926
134 1HB ASN 15 HB2 ASN 15 -14.720 -10.111 -9.318
135 2HB ASN 15 HB1 ASN 15 -14.577 -8.473 -8.688
136 1HD2 ASN 15 HD22 ASN 15 -16.837 -7.503 -11.235
137 2HD2 ASN 15 HD21 ASN 15 -16.558 -7.640 -9.565
138 H ASN 16 HN ASN 16 -12.883 -7.678 -7.867
139 HA ASN 16 HA ASN 16 -11.030 -5.667 -8.782
140 1HB ASN 16 HB2 ASN 16 -13.293 -5.090 -9.890
141 2HB ASN 16 HB1 ASN 16 -13.830 -4.671 -8.263
142 1HD2 ASN 16 HD22 ASN 16 -10.894 -2.369 -10.008
143 2HD2 ASN 16 HD21 ASN 16 -11.096 -3.976 -10.519
144 H GLU 17 HN GLU 17 -11.403 -7.478 -6.549
145 HA GLU 17 HA GLU 17 -12.056 -5.706 -4.271
146 1HB GLU 17 HB2 GLU 17 -10.915 -8.494 -4.061
147 2HB GLU 17 HB1 GLU 17 -11.942 -7.638 -2.910
148 1HG GLU 17 HG2 GLU 17 -13.492 -7.658 -5.198
149 2HG GLU 17 HG1 GLU 17 -12.696 -9.232 -5.257
150 H ILE 18 HN ILE 18 -10.456 -5.079 -2.713
151 HA ILE 18 HA ILE 18 -7.634 -5.561 -3.567
152 HB ILE 18 HB ILE 18 -8.257 -2.948 -2.301
153 1HG1 ILE 18 HG12 ILE 18 -8.795 -3.342 -5.252
154 2HG1 ILE 18 HG11 ILE 18 -10.087 -3.388 -4.054
155 1HG2 ILE 18 HG23 ILE 18 -5.975 -3.586 -2.982
156 2HG2 ILE 18 HG22 ILE 18 -6.528 -3.803 -4.642
157 3HG2 ILE 18 HG21 ILE 18 -6.541 -2.198 -3.912
158 1HD1 ILE 18 HD11 ILE 18 -8.583 -1.108 -3.412
159 2HD1 ILE 18 HD13 ILE 18 -8.722 -1.089 -5.170
160 3HD1 ILE 18 HD12 ILE 18 -10.175 -1.143 -4.171
161 H PHE 19 HN PHE 19 -6.088 -5.441 -1.821
162 HA PHE 19 HA PHE 19 -7.349 -5.785 0.872
163 1HB PHE 19 HB2 PHE 19 -6.393 -7.895 0.284
164 2HB PHE 19 HB1 PHE 19 -4.940 -7.135 -0.367
165 HD1 PHE 19 HD2 PHE 19 -6.847 -6.680 2.831
166 HD2 PHE 19 HD1 PHE 19 -3.093 -7.659 0.985
167 HE1 PHE 19 HE2 PHE 19 -5.778 -6.800 5.065
168 HE2 PHE 19 HE1 PHE 19 -2.026 -7.775 3.220
169 HZ PHE 19 HZ PHE 19 -3.368 -7.346 5.259
170 H ILE 20 HN ILE 20 -7.114 -3.479 1.240
171 HA ILE 20 HA ILE 20 -4.298 -2.549 1.481
172 HB ILE 20 HB ILE 20 -6.628 -0.701 1.766
173 1HG1 ILE 20 HG12 ILE 20 -6.114 -0.572 -0.922
174 2HG1 ILE 20 HG11 ILE 20 -5.999 -2.309 -0.635
175 1HG2 ILE 20 HG21 ILE 20 -3.934 -0.394 1.755
176 2HG2 ILE 20 HG23 ILE 20 -4.290 -0.142 0.047
177 3HG2 ILE 20 HG22 ILE 20 -5.063 0.872 1.266
178 1HD1 ILE 20 HD12 ILE 20 -8.289 -0.759 0.529
179 2HD1 ILE 20 HD11 ILE 20 -8.336 -1.248 -1.165
180 3HD1 ILE 20 HD13 ILE 20 -8.205 -2.468 0.102
181 H THR 21 HN THR 21 -5.144 -0.417 3.303
182 HA THR 21 HA THR 21 -5.850 -2.068 5.682
183 HB THR 21 HB THR 21 -4.004 0.099 6.297
184 HG1 THR 21 HG1 THR 21 -2.927 -2.070 4.869
185 1HG2 THR 21 HG22 THR 21 -4.650 -2.624 7.078
186 2HG2 THR 21 HG21 THR 21 -2.907 -2.375 6.973
187 3HG2 THR 21 HG23 THR 21 -3.883 -1.344 8.019
188 H ARG 22 HN ARG 22 -6.933 -0.924 7.374
189 HA ARG 22 HA ARG 22 -7.877 1.805 6.627
190 1HB ARG 22 HB2 ARG 22 -9.408 -0.606 6.745
191 2HB ARG 22 HB1 ARG 22 -9.915 0.436 8.074
192 1HG ARG 22 HG2 ARG 22 -10.391 2.251 6.586
193 2HG ARG 22 HG1 ARG 22 -9.605 1.432 5.238
194 1HD ARG 22 HD2 ARG 22 -11.375 -0.013 4.898
195 2HD ARG 22 HD1 ARG 22 -11.874 0.034 6.590
196 HE ARG 22 HE ARG 22 -12.391 2.597 5.711
197 1HH1 ARG 22 HH21 ARG 22 -13.644 -0.539 5.466
198 2HH1 ARG 22 HH22 ARG 22 -14.933 -0.117 4.389
199 1HH2 ARG 22 HH11 ARG 22 -13.849 3.147 3.950
200 2HH2 ARG 22 HH12 ARG 22 -15.049 1.971 3.530
201 H ARG 23 HN ARG 23 -9.548 2.085 8.908
202 HA ARG 23 HA ARG 23 -7.585 2.814 10.885
203 1HB ARG 23 HB2 ARG 23 -9.684 3.352 12.204
204 2HB ARG 23 HB1 ARG 23 -9.539 4.182 10.662
205 1HG ARG 23 HG2 ARG 23 -11.298 3.045 9.749
206 2HG ARG 23 HG1 ARG 23 -10.881 1.542 10.573
207 1HD ARG 23 HD2 ARG 23 -11.731 2.529 12.708
208 2HD ARG 23 HD1 ARG 23 -12.253 3.949 11.803
209 HE ARG 23 HE ARG 23 -13.452 1.828 10.472
210 1HH1 ARG 23 HH11 ARG 23 -13.197 0.855 13.461
211 2HH1 ARG 23 HH12 ARG 23 -14.805 1.199 14.005
212 1HH2 ARG 23 HH21 ARG 23 -15.586 3.198 11.282
213 2HH2 ARG 23 HH22 ARG 23 -16.156 2.525 12.773
214 H ALA 24 HN ALA 24 -6.644 0.647 11.295
215 HA ALA 24 HA ALA 24 -8.387 -1.330 12.615
216 1HB ALA 24 HB2 ALA 24 -6.060 -1.530 11.130
217 2HB ALA 24 HB1 ALA 24 -5.492 -1.774 12.781
218 3HB ALA 24 HB3 ALA 24 -6.751 -2.817 12.119
219 H ALA 25 HN ALA 25 -7.231 1.496 13.637
220 HA ALA 25 HA ALA 25 -7.069 0.567 16.437
221 1HB ALA 25 HB3 ALA 25 -4.720 0.600 15.593
222 2HB ALA 25 HB2 ALA 25 -4.916 2.308 15.201
223 3HB ALA 25 HB1 ALA 25 -4.994 1.774 16.881
224 H ASP 26 HN ASP 26 -7.028 3.333 14.188
225 HA ASP 26 HA ASP 26 -9.154 4.654 15.635
226 1HB ASP 26 HB2 ASP 26 -7.313 5.141 17.201
227 2HB ASP 26 HB1 ASP 26 -6.368 5.834 15.881
228 H ALA 27 HN ALA 27 -10.160 6.033 14.231
229 HA ALA 27 HA ALA 27 -8.615 6.897 11.819
230 1HB ALA 27 HB3 ALA 27 -10.934 5.274 11.946
231 2HB ALA 27 HB2 ALA 27 -11.459 6.846 11.341
232 3HB ALA 27 HB1 ALA 27 -10.185 5.958 10.505
233 H HIS 28 HN HIS 28 -8.440 9.074 11.706
234 HA HIS 28 HA HIS 28 -9.464 10.908 13.535
235 1HB HIS 28 HB2 HIS 28 -8.537 11.142 10.697
236 2HB HIS 28 HB1 HIS 28 -9.284 12.545 11.461
237 HD1 HIS 28 HD1 HIS 28 -6.707 13.488 11.185
238 HD2 HIS 28 HD2 HIS 28 -7.339 10.534 14.060
239 HE1 HIS 28 HE1 HIS 28 -4.712 13.567 12.743
240 H MET 29 HN MET 29 -11.096 9.488 10.768
241 HA MET 29 HA MET 29 -13.526 11.057 11.531
242 1HB MET 29 HB2 MET 29 -12.923 10.104 8.725
243 2HB MET 29 HB1 MET 29 -14.167 11.244 9.238
244 1HG MET 29 HG2 MET 29 -12.625 12.962 9.617
245 2HG MET 29 HG1 MET 29 -11.273 11.842 9.794
246 1HE MET 29 HE3 MET 29 -11.064 14.396 8.251
247 2HE MET 29 HE2 MET 29 -9.724 13.257 8.154
248 3HE MET 29 HE1 MET 29 -10.356 13.987 6.682
249 H ALA 30 HN ALA 30 -15.134 9.576 9.576
250 HA ALA 30 HA ALA 30 -15.755 7.265 11.231
251 1HB ALA 30 HB3 ALA 30 -16.957 8.682 8.956
252 2HB ALA 30 HB2 ALA 30 -17.185 6.934 8.893
253 3HB ALA 30 HB1 ALA 30 -17.739 7.846 10.297
254 H ASN 31 HN ASN 31 -15.687 6.968 7.728
255 HA ASN 31 HA ASN 31 -13.928 4.585 8.049
256 1HB ASN 31 HB2 ASN 31 -15.417 5.371 5.543
257 2HB ASN 31 HB1 ASN 31 -14.851 3.771 6.024
258 1HD2 ASN 31 HD22 ASN 31 -18.569 4.746 6.962
259 2HD2 ASN 31 HD21 ASN 31 -17.659 5.449 5.714
260 H LYS 32 HN LYS 32 -11.858 4.657 7.298
261 HA LYS 32 HA LYS 32 -11.149 6.562 5.149
262 1HB LYS 32 HB2 LYS 32 -9.506 7.735 6.393
263 2HB LYS 32 HB1 LYS 32 -10.893 7.660 7.477
264 1HG LYS 32 HG2 LYS 32 -9.327 6.894 8.955
265 2HG LYS 32 HG1 LYS 32 -9.656 5.353 8.162
266 1HD LYS 32 HD2 LYS 32 -7.359 5.402 7.927
267 2HD LYS 32 HD1 LYS 32 -7.809 6.269 6.457
268 1HE LYS 32 HE2 LYS 32 -7.015 8.256 7.236
269 2HE LYS 32 HE1 LYS 32 -7.598 7.955 8.873
270 1HZ LYS 32 HZ2 LYS 32 -5.719 6.163 8.827
271 2HZ LYS 32 HZ1 LYS 32 -5.064 7.174 7.629
272 3HZ LYS 32 HZ3 LYS 32 -5.361 7.785 9.182
273 H LEU 33 HN LEU 33 -9.628 5.621 3.799
274 HA LEU 33 HA LEU 33 -8.522 3.005 4.639
275 1HB LEU 33 HB2 LEU 33 -8.967 4.407 2.058
276 2HB LEU 33 HB1 LEU 33 -7.622 3.299 2.148
277 HG LEU 33 HG LEU 33 -9.594 1.851 3.378
278 1HD1 LEU 33 HD12 LEU 33 -10.835 3.434 1.108
279 2HD1 LEU 33 HD11 LEU 33 -11.574 2.038 1.891
280 3HD1 LEU 33 HD13 LEU 33 -11.300 3.520 2.807
281 1HD2 LEU 33 HD21 LEU 33 -8.473 1.989 0.606
282 2HD2 LEU 33 HD23 LEU 33 -8.318 0.711 1.812
283 3HD2 LEU 33 HD22 LEU 33 -9.821 0.894 0.907
284 H GLU 34 HN GLU 34 -6.171 2.806 3.482
285 HA GLU 34 HA GLU 34 -4.596 5.224 3.701
286 1HB GLU 34 HB2 GLU 34 -5.105 4.034 6.101
287 2HB GLU 34 HB1 GLU 34 -3.592 3.268 5.649
288 1HG GLU 34 HG2 GLU 34 -2.654 5.565 5.191
289 2HG GLU 34 HG1 GLU 34 -4.137 6.240 5.861
290 H PHE 35 HN PHE 35 -2.172 4.005 4.344
291 HA PHE 35 HA PHE 35 -1.675 1.706 2.625
292 1HB PHE 35 HB2 PHE 35 -0.835 4.492 1.794
293 2HB PHE 35 HB1 PHE 35 -0.009 3.048 1.209
294 HD1 PHE 35 HD1 PHE 35 -1.418 1.227 0.076
295 HD2 PHE 35 HD2 PHE 35 -2.847 5.214 0.793
296 HE1 PHE 35 HE1 PHE 35 -3.176 0.906 -1.643
297 HE2 PHE 35 HE2 PHE 35 -4.604 4.893 -0.923
298 HZ PHE 35 HZ PHE 35 -4.766 2.741 -2.146
299 HA PRO 36 HA PRO 36 1.098 2.727 6.277
300 1HB PRO 36 HB2 PRO 36 0.764 0.004 7.130
301 2HB PRO 36 HB1 PRO 36 0.184 1.468 7.918
302 1HG PRO 36 HG2 PRO 36 -1.377 -0.497 6.495
303 2HG PRO 36 HG1 PRO 36 -1.951 0.956 7.321
304 1HD PRO 36 HD2 PRO 36 -1.772 0.502 4.481
305 2HD PRO 36 HD1 PRO 36 -2.324 1.967 5.314
306 H GLY 37 HN GLY 37 1.250 -0.729 5.572
307 1HA GLY 37 HA2 GLY 37 2.809 -1.740 3.968
308 2HA GLY 37 HA1 GLY 37 3.791 -0.280 4.081
309 H GLY 38 HN GLY 38 5.623 -0.602 5.233
310 1HA GLY 38 HA2 GLY 38 5.500 -1.956 7.834
311 2HA GLY 38 HA1 GLY 38 6.480 -2.784 6.619
312 H LYS 39 HN LYS 39 8.221 -1.490 5.597
313 HA LYS 39 HA LYS 39 9.058 1.051 6.501
314 1HB LYS 39 HB2 LYS 39 9.250 -0.171 8.699
315 2HB LYS 39 HB1 LYS 39 10.477 -1.199 7.958
316 1HG LYS 39 HG2 LYS 39 12.063 0.390 8.179
317 2HG LYS 39 HG1 LYS 39 11.016 1.623 7.476
318 1HD LYS 39 HD2 LYS 39 10.154 2.265 9.532
319 2HD LYS 39 HD1 LYS 39 10.454 0.690 10.266
320 1HE LYS 39 HE2 LYS 39 11.991 2.759 10.870
321 2HE LYS 39 HE1 LYS 39 12.694 1.152 10.677
322 1HZ LYS 39 HZ1 LYS 39 12.430 2.902 8.331
323 2HZ LYS 39 HZ3 LYS 39 13.700 3.171 9.422
324 3HZ LYS 39 HZ2 LYS 39 13.560 1.671 8.636
325 H ILE 40 HN ILE 40 10.620 1.703 5.099
326 HA ILE 40 HA ILE 40 12.138 -0.434 3.658
327 HB ILE 40 HB ILE 40 10.344 0.947 2.390
328 1HG1 ILE 40 HG12 ILE 40 13.140 1.072 1.245
329 2HG1 ILE 40 HG11 ILE 40 12.245 -0.443 1.401
330 1HG2 ILE 40 HG23 ILE 40 11.490 3.091 3.495
331 2HG2 ILE 40 HG22 ILE 40 12.483 2.996 2.042
332 3HG2 ILE 40 HG21 ILE 40 10.732 3.163 1.904
333 1HD1 ILE 40 HD11 ILE 40 10.339 1.064 0.235
334 2HD1 ILE 40 HD13 ILE 40 11.769 1.860 -0.423
335 3HD1 ILE 40 HD12 ILE 40 11.515 0.137 -0.698
336 H GLU 41 HN GLU 41 14.280 -0.349 4.138
337 HA GLU 41 HA GLU 41 15.386 2.052 5.423
338 1HB GLU 41 HB2 GLU 41 16.934 -0.417 4.636
339 2HB GLU 41 HB1 GLU 41 17.270 0.714 5.946
340 1HG GLU 41 HG2 GLU 41 15.421 -0.059 7.231
341 2HG GLU 41 HG1 GLU 41 14.738 -0.928 5.856
342 H MET 42 HN MET 42 16.992 3.372 4.536
343 HA MET 42 HA MET 42 17.069 3.478 1.616
344 1HB MET 42 HB2 MET 42 17.739 5.240 3.837
345 2HB MET 42 HB1 MET 42 18.999 5.250 2.600
346 1HG MET 42 HG2 MET 42 16.661 5.308 1.112
347 2HG MET 42 HG1 MET 42 16.280 6.334 2.494
348 1HE MET 42 HE1 MET 42 17.770 7.798 3.503
349 2HE MET 42 HE3 MET 42 18.951 8.862 2.726
350 3HE MET 42 HE2 MET 42 17.227 9.099 2.444
351 H GLY 43 HN GLY 43 19.229 3.625 0.476
352 1HA GLY 43 HA2 GLY 43 21.519 2.963 0.233
353 2HA GLY 43 HA1 GLY 43 21.428 2.138 1.789
354 H GLU 44 HN GLU 44 18.741 1.054 0.705
355 HA GLU 44 HA GLU 44 19.956 -1.315 -0.610
356 1HB GLU 44 HB2 GLU 44 17.881 -0.927 1.316
357 2HB GLU 44 HB1 GLU 44 17.149 -1.637 -0.122
358 1HG GLU 44 HG2 GLU 44 18.107 -3.632 0.295
359 2HG GLU 44 HG1 GLU 44 19.699 -2.889 0.452
360 H THR 45 HN THR 45 17.391 -2.097 -1.870
361 HA THR 45 HA THR 45 17.267 0.001 -3.983
362 HB THR 45 HB THR 45 16.528 -2.580 -5.015
363 HG1 THR 45 HG1 THR 45 17.887 -3.734 -3.916
364 1HG2 THR 45 HG21 THR 45 17.887 -0.245 -5.787
365 2HG2 THR 45 HG23 THR 45 19.071 -1.542 -5.938
366 3HG2 THR 45 HG22 THR 45 17.536 -1.646 -6.798
367 HA PRO 46 HA PRO 46 12.949 -0.122 -3.635
368 1HB PRO 46 HB2 PRO 46 12.147 -0.474 -6.315
369 2HB PRO 46 HB1 PRO 46 12.560 1.068 -5.547
370 1HG PRO 46 HG2 PRO 46 14.075 -0.407 -7.556
371 2HG PRO 46 HG1 PRO 46 14.405 1.200 -6.900
372 1HD PRO 46 HD2 PRO 46 15.748 -1.283 -6.291
373 2HD PRO 46 HD1 PRO 46 16.132 0.348 -5.702
374 H GLU 47 HN GLU 47 14.460 -2.934 -4.832
375 HA GLU 47 HA GLU 47 11.869 -4.418 -4.736
376 1HB GLU 47 HB2 GLU 47 14.073 -4.492 -6.572
377 2HB GLU 47 HB1 GLU 47 13.894 -6.070 -5.815
378 1HG GLU 47 HG2 GLU 47 11.305 -4.948 -6.501
379 2HG GLU 47 HG1 GLU 47 12.348 -5.040 -7.920
380 H GLN 48 HN GLN 48 15.326 -5.135 -4.099
381 HA GLN 48 HA GLN 48 15.163 -7.336 -2.531
382 1HB GLN 48 HB2 GLN 48 17.118 -5.526 -3.034
383 2HB GLN 48 HB1 GLN 48 16.789 -5.177 -1.335
384 1HG GLN 48 HG2 GLN 48 16.815 -7.766 -1.094
385 2HG GLN 48 HG1 GLN 48 17.740 -7.700 -2.594
386 1HE2 GLN 48 HE22 GLN 48 20.562 -7.329 -0.444
387 2HE2 GLN 48 HE21 GLN 48 19.726 -8.394 -1.466
388 H ALA 49 HN ALA 49 14.405 -4.123 -1.677
389 HA ALA 49 HA ALA 49 14.051 -4.448 1.074
390 1HB ALA 49 HB1 ALA 49 12.763 -2.539 -0.865
391 2HB ALA 49 HB3 ALA 49 12.500 -2.440 0.876
392 3HB ALA 49 HB2 ALA 49 14.121 -2.228 0.216
393 H VAL 50 HN VAL 50 11.353 -4.166 -1.239
394 HA VAL 50 HA VAL 50 9.534 -5.437 0.663
395 HB VAL 50 HB VAL 50 9.175 -3.561 -1.181
396 1HG1 VAL 50 HG13 VAL 50 8.390 -6.123 -2.583
397 2HG1 VAL 50 HG12 VAL 50 7.922 -4.506 -3.111
398 3HG1 VAL 50 HG11 VAL 50 9.622 -4.976 -3.112
399 1HG2 VAL 50 HG21 VAL 50 7.575 -5.002 0.527
400 2HG2 VAL 50 HG23 VAL 50 7.050 -3.615 -0.428
401 3HG2 VAL 50 HG22 VAL 50 6.792 -5.250 -1.034
402 H VAL 51 HN VAL 51 10.912 -6.285 -2.482
403 HA VAL 51 HA VAL 51 9.699 -8.640 -3.153
404 HB VAL 51 HB VAL 51 11.750 -7.545 -4.236
405 1HG1 VAL 51 HG13 VAL 51 13.131 -7.620 -2.130
406 2HG1 VAL 51 HG12 VAL 51 13.212 -9.370 -2.305
407 3HG1 VAL 51 HG11 VAL 51 13.932 -8.326 -3.531
408 1HG2 VAL 51 HG21 VAL 51 11.454 -10.515 -3.840
409 2HG2 VAL 51 HG23 VAL 51 10.958 -9.538 -5.222
410 3HG2 VAL 51 HG22 VAL 51 12.670 -9.845 -4.928
411 H ARG 52 HN ARG 52 12.234 -8.276 -0.679
412 HA ARG 52 HA ARG 52 12.149 -11.014 0.149
413 1HB ARG 52 HB2 ARG 52 14.128 -10.214 0.877
414 2HB ARG 52 HB1 ARG 52 13.614 -8.561 0.665
415 1HG ARG 52 HG2 ARG 52 12.514 -8.562 2.814
416 2HG ARG 52 HG1 ARG 52 12.914 -10.262 3.065
417 1HD ARG 52 HD2 ARG 52 15.319 -8.850 2.401
418 2HD ARG 52 HD1 ARG 52 14.503 -7.982 3.702
419 HE ARG 52 HE ARG 52 14.406 -10.629 4.514
420 1HH1 ARG 52 HH21 ARG 52 16.820 -8.357 3.551
421 2HH1 ARG 52 HH22 ARG 52 18.079 -9.109 4.471
422 1HH2 ARG 52 HH11 ARG 52 16.052 -11.644 5.685
423 2HH2 ARG 52 HH12 ARG 52 17.645 -10.967 5.677
424 H GLU 53 HN GLU 53 10.657 -7.946 1.180
425 HA GLU 53 HA GLU 53 9.469 -9.017 3.580
426 1HB GLU 53 HB2 GLU 53 8.746 -6.651 1.831
427 2HB GLU 53 HB1 GLU 53 7.908 -7.029 3.335
428 1HG GLU 53 HG2 GLU 53 10.801 -7.076 3.679
429 2HG GLU 53 HG1 GLU 53 10.239 -5.511 3.090
430 H LEU 54 HN LEU 54 8.865 -9.727 0.335
431 HA LEU 54 HA LEU 54 5.987 -10.040 0.547
432 1HB LEU 54 HB2 LEU 54 7.811 -10.047 -1.566
433 2HB LEU 54 HB1 LEU 54 7.196 -11.701 -1.505
434 HG LEU 54 HG LEU 54 5.551 -9.159 -1.676
435 1HD1 LEU 54 HD12 LEU 54 6.698 -10.802 -3.657
436 2HD1 LEU 54 HD11 LEU 54 4.989 -11.233 -3.615
437 3HD1 LEU 54 HD13 LEU 54 5.468 -9.559 -3.890
438 1HD2 LEU 54 HD22 LEU 54 4.896 -11.636 -0.455
439 2HD2 LEU 54 HD21 LEU 54 3.806 -10.300 -0.822
440 3HD2 LEU 54 HD23 LEU 54 4.044 -11.592 -1.998
441 H GLN 55 HN GLN 55 8.677 -12.391 0.375
442 HA GLN 55 HA GLN 55 6.895 -14.550 1.227
443 1HB GLN 55 HB2 GLN 55 8.869 -15.963 1.105
444 2HB GLN 55 HB1 GLN 55 8.876 -14.899 -0.303
445 1HG GLN 55 HG2 GLN 55 10.404 -13.352 0.891
446 2HG GLN 55 HG1 GLN 55 10.430 -14.459 2.264
447 1HE2 GLN 55 HE22 GLN 55 13.332 -15.167 -0.076
448 2HE2 GLN 55 HE21 GLN 55 12.777 -13.734 0.645
449 H GLU 56 HN GLU 56 9.184 -12.345 2.706
450 HA GLU 56 HA GLU 56 9.223 -13.804 5.250
451 1HB GLU 56 HB2 GLU 56 10.115 -10.953 4.765
452 2HB GLU 56 HB1 GLU 56 10.647 -12.050 6.040
453 1HG GLU 56 HG2 GLU 56 11.030 -12.802 3.153
454 2HG GLU 56 HG1 GLU 56 12.175 -11.719 3.945
455 H GLU 57 HN GLU 57 6.557 -13.048 4.298
456 HA GLU 57 HA GLU 57 5.693 -11.591 6.707
457 1HB GLU 57 HB2 GLU 57 5.315 -10.584 3.890
458 2HB GLU 57 HB1 GLU 57 4.172 -10.158 5.164
459 1HG GLU 57 HG2 GLU 57 6.402 -9.578 6.493
460 2HG GLU 57 HG1 GLU 57 7.050 -9.389 4.863
461 H VAL 58 HN VAL 58 4.211 -12.551 3.563
462 HA VAL 58 HA VAL 58 2.351 -14.238 5.154
463 HB VAL 58 HB VAL 58 1.509 -12.027 4.037
464 1HG1 VAL 58 HG11 VAL 58 2.470 -13.320 1.744
465 2HG1 VAL 58 HG13 VAL 58 0.719 -13.512 1.672
466 3HG1 VAL 58 HG12 VAL 58 1.427 -11.902 1.796
467 1HG2 VAL 58 HG22 VAL 58 0.397 -14.588 4.567
468 2HG2 VAL 58 HG21 VAL 58 -0.373 -13.003 4.664
469 3HG2 VAL 58 HG23 VAL 58 -0.396 -13.904 3.148
470 H GLY 59 HN GLY 59 4.373 -13.946 2.322
471 1HA GLY 59 HA2 GLY 59 5.238 -15.614 0.930
472 2HA GLY 59 HA1 GLY 59 4.574 -16.790 2.056
473 H ILE 60 HN ILE 60 3.496 -14.556 -0.522
474 HA ILE 60 HA ILE 60 1.207 -16.369 -1.095
475 HB ILE 60 HB ILE 60 1.436 -14.300 -3.074
476 1HG1 ILE 60 HG12 ILE 60 1.884 -13.405 -0.222
477 2HG1 ILE 60 HG11 ILE 60 2.804 -12.944 -1.639
478 1HG2 ILE 60 HG22 ILE 60 -0.621 -15.417 -2.173
479 2HG2 ILE 60 HG21 ILE 60 -0.409 -14.512 -0.675
480 3HG2 ILE 60 HG23 ILE 60 -0.737 -13.658 -2.183
481 1HD1 ILE 60 HD12 ILE 60 0.587 -11.948 -2.520
482 2HD1 ILE 60 HD11 ILE 60 0.030 -12.074 -0.853
483 3HD1 ILE 60 HD13 ILE 60 1.427 -11.070 -1.242
484 H THR 61 HN THR 61 1.001 -16.867 -3.647
485 HA THR 61 HA THR 61 3.771 -17.493 -4.578
486 HB THR 61 HB THR 61 2.200 -19.457 -5.722
487 HG1 THR 61 HG1 THR 61 1.521 -19.375 -2.997
488 1HG2 THR 61 HG23 THR 61 4.442 -19.664 -4.712
489 2HG2 THR 61 HG22 THR 61 3.708 -19.562 -3.110
490 3HG2 THR 61 HG21 THR 61 3.343 -20.929 -4.165
491 HA PRO 62 HA PRO 62 1.436 -16.856 -8.667
492 1HB PRO 62 HB2 PRO 62 -1.335 -16.646 -8.539
493 2HB PRO 62 HB1 PRO 62 -0.446 -18.126 -8.932
494 1HG PRO 62 HG2 PRO 62 -1.861 -17.423 -6.438
495 2HG PRO 62 HG1 PRO 62 -1.391 -19.015 -7.037
496 1HD PRO 62 HD2 PRO 62 -0.145 -17.557 -4.961
497 2HD PRO 62 HD1 PRO 62 0.463 -19.009 -5.776
498 H GLN 63 HN GLN 63 2.154 -14.743 -6.907
499 HA GLN 63 HA GLN 63 0.057 -12.726 -7.265
500 1HB GLN 63 HB2 GLN 63 1.093 -13.034 -4.984
501 2HB GLN 63 HB1 GLN 63 2.610 -12.452 -5.673
502 1HG GLN 63 HG2 GLN 63 1.569 -10.335 -6.291
503 2HG GLN 63 HG1 GLN 63 0.000 -10.911 -5.736
504 1HE2 GLN 63 HE22 GLN 63 2.758 -10.477 -2.728
505 2HE2 GLN 63 HE21 GLN 63 3.201 -11.288 -4.152
506 H HIS 64 HN HIS 64 0.639 -12.856 -9.576
507 HA HIS 64 HA HIS 64 3.183 -11.889 -10.535
508 1HB HIS 64 HB2 HIS 64 1.039 -13.002 -11.761
509 2HB HIS 64 HB1 HIS 64 0.743 -11.304 -12.137
510 HD1 HIS 64 HD1 HIS 64 4.132 -12.997 -11.860
511 HD2 HIS 64 HD2 HIS 64 1.721 -11.204 -14.750
512 HE1 HIS 64 HE1 HIS 64 5.531 -12.845 -13.965
513 H PHE 65 HN PHE 65 3.873 -9.891 -9.730
514 HA PHE 65 HA PHE 65 1.897 -7.659 -9.998
515 1HB PHE 65 HB2 PHE 65 2.806 -6.606 -8.039
516 2HB PHE 65 HB1 PHE 65 2.398 -8.260 -7.627
517 HD1 PHE 65 HD1 PHE 65 4.264 -10.021 -7.647
518 HD2 PHE 65 HD2 PHE 65 5.020 -5.797 -7.829
519 HE1 PHE 65 HE1 PHE 65 6.610 -10.412 -6.950
520 HE2 PHE 65 HE2 PHE 65 7.368 -6.189 -7.132
521 HZ PHE 65 HZ PHE 65 8.162 -8.496 -6.692
522 H SER 66 HN SER 66 3.134 -5.533 -9.708
523 HA SER 66 HA SER 66 5.794 -5.332 -10.871
524 1HB SER 66 HB2 SER 66 3.340 -4.719 -12.519
525 2HB SER 66 HB1 SER 66 4.839 -3.833 -12.780
526 HG SER 66 HG SER 66 4.927 -5.591 -14.100
527 H LEU 67 HN LEU 67 6.652 -3.418 -10.031
528 HA LEU 67 HA LEU 67 5.282 -1.915 -8.119
529 1HB LEU 67 HB2 LEU 67 7.668 -1.627 -8.318
530 2HB LEU 67 HB1 LEU 67 7.505 -0.996 -9.959
531 HG LEU 67 HG LEU 67 6.124 0.898 -9.034
532 1HD1 LEU 67 HD11 LEU 67 5.623 -0.530 -6.907
533 2HD1 LEU 67 HD13 LEU 67 7.151 0.116 -6.314
534 3HD1 LEU 67 HD12 LEU 67 5.832 1.210 -6.733
535 1HD2 LEU 67 HD23 LEU 67 8.928 0.492 -8.930
536 2HD2 LEU 67 HD22 LEU 67 8.074 2.034 -8.978
537 3HD2 LEU 67 HD21 LEU 67 8.494 1.306 -7.428
538 H PHE 68 HN PHE 68 3.198 -1.351 -8.724
539 HA PHE 68 HA PHE 68 2.204 -0.279 -11.073
540 1HB PHE 68 HB2 PHE 68 0.560 -0.484 -9.465
541 2HB PHE 68 HB1 PHE 68 1.597 0.082 -8.172
542 HD1 PHE 68 HD1 PHE 68 0.069 1.381 -11.349
543 HD2 PHE 68 HD2 PHE 68 1.124 2.147 -7.260
544 HE1 PHE 68 HE1 PHE 68 -0.948 3.638 -11.508
545 HE2 PHE 68 HE2 PHE 68 0.115 4.397 -7.421
546 HZ PHE 68 HZ PHE 68 -0.920 5.138 -9.534
547 H GLU 69 HN GLU 69 2.897 1.910 -8.415
548 HA GLU 69 HA GLU 69 4.724 3.556 -10.007
549 1HB GLU 69 HB2 GLU 69 1.880 4.169 -9.847
550 2HB GLU 69 HB1 GLU 69 2.862 5.470 -9.172
551 1HG GLU 69 HG2 GLU 69 3.170 4.224 -11.918
552 2HG GLU 69 HG1 GLU 69 2.581 5.849 -11.563
553 H LYS 70 HN LYS 70 4.870 5.807 -8.512
554 HA LYS 70 HA LYS 70 4.902 4.947 -5.664
555 1HB LYS 70 HB2 LYS 70 7.191 5.028 -7.303
556 2HB LYS 70 HB1 LYS 70 7.274 6.478 -6.301
557 1HG LYS 70 HG2 LYS 70 7.107 5.192 -4.280
558 2HG LYS 70 HG1 LYS 70 6.704 3.726 -5.175
559 1HD LYS 70 HD2 LYS 70 9.338 5.218 -5.380
560 2HD LYS 70 HD1 LYS 70 9.080 3.743 -4.447
561 1HE LYS 70 HE2 LYS 70 9.379 2.491 -6.290
562 2HE LYS 70 HE1 LYS 70 8.074 3.347 -7.111
563 1HZ LYS 70 HZ2 LYS 70 9.769 5.159 -7.506
564 2HZ LYS 70 HZ1 LYS 70 10.951 4.032 -7.038
565 3HZ LYS 70 HZ3 LYS 70 9.979 3.726 -8.394
566 H LEU 71 HN LEU 71 4.731 6.698 -4.184
567 HA LEU 71 HA LEU 71 4.276 9.370 -5.453
568 1HB LEU 71 HB2 LEU 71 2.675 9.634 -3.387
569 2HB LEU 71 HB1 LEU 71 2.113 8.772 -4.816
570 HG LEU 71 HG LEU 71 2.771 6.624 -3.770
571 1HD1 LEU 71 HD13 LEU 71 3.699 8.503 -1.611
572 2HD1 LEU 71 HD12 LEU 71 3.206 6.860 -1.202
573 3HD1 LEU 71 HD11 LEU 71 4.543 7.126 -2.321
574 1HD2 LEU 71 HD22 LEU 71 0.736 8.470 -2.739
575 2HD2 LEU 71 HD21 LEU 71 0.587 6.766 -3.175
576 3HD2 LEU 71 HD23 LEU 71 1.183 7.220 -1.578
577 H GLU 72 HN GLU 72 4.173 11.040 -3.451
578 HA GLU 72 HA GLU 72 6.069 10.440 -1.311
579 1HB GLU 72 HB2 GLU 72 7.685 12.224 -1.994
580 2HB GLU 72 HB1 GLU 72 7.660 10.857 -3.109
581 1HG GLU 72 HG2 GLU 72 5.730 12.397 -4.223
582 2HG GLU 72 HG1 GLU 72 6.753 13.653 -3.523
583 H TYR 73 HN TYR 73 5.954 12.019 0.345
584 HA TYR 73 HA TYR 73 4.105 14.305 -0.188
585 1HB TYR 73 HB2 TYR 73 3.321 12.162 1.261
586 2HB TYR 73 HB1 TYR 73 4.092 13.109 2.533
587 HD1 TYR 73 HD1 TYR 73 2.170 14.129 -0.517
588 HD2 TYR 73 HD2 TYR 73 2.418 14.183 3.770
589 HE1 TYR 73 HE1 TYR 73 0.190 15.620 -0.423
590 HE2 TYR 73 HE2 TYR 73 0.439 15.675 3.866
591 HH TYR 73 HH TYR 73 -0.749 17.247 2.450
592 H GLU 74 HN GLU 74 4.277 15.440 2.374
593 HA GLU 74 HA GLU 74 7.109 15.715 3.106
594 1HB GLU 74 HB2 GLU 74 6.332 17.282 1.023
595 2HB GLU 74 HB1 GLU 74 5.880 18.318 2.378
596 1HG GLU 74 HG2 GLU 74 8.106 18.324 3.244
597 2HG GLU 74 HG1 GLU 74 8.598 17.006 2.178
598 H PHE 75 HN PHE 75 7.000 15.760 5.254
599 HA PHE 75 HA PHE 75 4.573 16.583 6.639
600 1HB PHE 75 HB2 PHE 75 7.165 15.300 7.289
601 2HB PHE 75 HB1 PHE 75 6.434 16.229 8.587
602 HD1 PHE 75 HD2 PHE 75 3.573 15.877 8.184
603 HD2 PHE 75 HD1 PHE 75 6.752 13.032 7.710
604 HE1 PHE 75 HE2 PHE 75 1.973 14.028 8.576
605 HE2 PHE 75 HE1 PHE 75 5.151 11.179 8.100
606 HZ PHE 75 HZ PHE 75 2.757 11.677 8.528
607 HA PRO 76 HA PRO 76 5.455 20.722 7.680
608 1HB PRO 76 HB2 PRO 76 5.695 20.403 10.543
609 2HB PRO 76 HB1 PRO 76 4.340 21.065 9.618
610 1HG PRO 76 HG2 PRO 76 4.467 18.514 10.935
611 2HG PRO 76 HG1 PRO 76 3.140 19.158 9.961
612 1HD PRO 76 HD2 PRO 76 4.961 17.043 9.268
613 2HD PRO 76 HD1 PRO 76 3.643 17.711 8.285
614 H ASP 77 HN ASP 77 7.757 18.331 8.426
615 HA ASP 77 HA ASP 77 9.816 20.407 8.545
616 1HB ASP 77 HB2 ASP 77 8.929 19.202 10.888
617 2HB ASP 77 HB1 ASP 77 10.424 18.350 10.500
618 H ARG 78 HN ARG 78 8.922 17.175 7.696
619 HA ARG 78 HA ARG 78 11.658 16.795 6.631
620 1HB ARG 78 HB2 ARG 78 10.890 14.273 7.032
621 2HB ARG 78 HB1 ARG 78 11.718 15.202 8.269
622 1HG ARG 78 HG2 ARG 78 9.429 15.893 9.119
623 2HG ARG 78 HG1 ARG 78 8.751 14.692 8.021
624 1HD ARG 78 HD2 ARG 78 10.850 13.400 9.403
625 2HD ARG 78 HD1 ARG 78 9.937 14.294 10.617
626 HE ARG 78 HE ARG 78 7.982 13.038 9.107
627 1HH1 ARG 78 HH21 ARG 78 10.482 12.303 11.318
628 2HH1 ARG 78 HH22 ARG 78 10.044 10.635 11.485
629 1HH2 ARG 78 HH11 ARG 78 7.548 10.778 9.079
630 2HH2 ARG 78 HH12 ARG 78 8.381 9.769 10.215
631 H HIS 79 HN HIS 79 11.458 14.718 5.074
632 HA HIS 79 HA HIS 79 9.096 15.190 3.297
633 1HB HIS 79 HB2 HIS 79 11.747 14.235 2.247
634 2HB HIS 79 HB1 HIS 79 10.470 15.114 1.405
635 HD1 HIS 79 HD1 HIS 79 13.724 15.745 2.415
636 HD2 HIS 79 HD2 HIS 79 10.166 17.804 3.105
637 HE1 HIS 79 HE1 HIS 79 14.375 18.116 3.020
638 H ILE 80 HN ILE 80 7.863 13.370 3.143
639 HA ILE 80 HA ILE 80 9.128 10.771 3.856
640 HB ILE 80 HB ILE 80 6.354 10.399 3.511
641 1HG1 ILE 80 HG12 ILE 80 6.941 12.902 5.127
642 2HG1 ILE 80 HG11 ILE 80 6.096 12.869 3.579
643 1HG2 ILE 80 HG22 ILE 80 8.375 10.351 5.646
644 2HG2 ILE 80 HG21 ILE 80 6.736 10.644 6.224
645 3HG2 ILE 80 HG23 ILE 80 7.093 9.195 5.284
646 1HD1 ILE 80 HD13 ILE 80 5.111 11.126 5.811
647 2HD1 ILE 80 HD12 ILE 80 4.721 12.845 5.829
648 3HD1 ILE 80 HD11 ILE 80 4.210 11.842 4.473
649 H THR 81 HN THR 81 8.483 8.863 2.549
650 HA THR 81 HA THR 81 7.499 9.408 -0.176
651 HB THR 81 HB THR 81 10.270 8.289 0.343
652 HG1 THR 81 HG1 THR 81 10.965 10.174 -0.526
653 1HG2 THR 81 HG21 THR 81 8.768 7.380 -1.602
654 2HG2 THR 81 HG23 THR 81 9.118 8.935 -2.354
655 3HG2 THR 81 HG22 THR 81 10.436 7.839 -1.942
656 H LEU 82 HN LEU 82 5.882 7.880 -0.094
657 HA LEU 82 HA LEU 82 6.372 5.261 1.155
658 1HB LEU 82 HB2 LEU 82 4.072 6.854 0.471
659 2HB LEU 82 HB1 LEU 82 3.909 5.250 -0.246
660 HG LEU 82 HG LEU 82 4.340 4.206 1.927
661 1HD1 LEU 82 HD12 LEU 82 4.866 7.061 2.702
662 2HD1 LEU 82 HD11 LEU 82 4.272 5.928 3.916
663 3HD1 LEU 82 HD13 LEU 82 5.798 5.614 3.087
664 1HD2 LEU 82 HD22 LEU 82 2.090 5.864 1.281
665 2HD2 LEU 82 HD21 LEU 82 2.118 4.386 2.245
666 3HD2 LEU 82 HD23 LEU 82 2.368 5.951 3.020
667 H TRP 83 HN TRP 83 6.316 3.253 0.000
668 HA TRP 83 HA TRP 83 6.886 3.542 -2.907
669 1HB TRP 83 HB2 TRP 83 8.790 2.529 -2.188
670 2HB TRP 83 HB1 TRP 83 8.069 2.026 -0.676
671 HD1 TRP 83 HD1 TRP 83 6.552 -0.183 -0.750
672 HE1 TRP 83 HE1 TRP 83 6.828 -2.321 -2.190
673 HE3 TRP 83 HE3 TRP 83 9.564 1.629 -4.435
674 HZ2 TRP 83 HZ2 TRP 83 8.152 -3.132 -4.600
675 HZ3 TRP 83 HZ3 TRP 83 10.320 0.169 -6.289
676 HH2 TRP 83 HH2 TRP 83 9.619 -2.208 -6.377
677 H PHE 84 HN PHE 84 5.157 2.939 -4.110
678 HA PHE 84 HA PHE 84 3.108 1.138 -2.946
679 1HB PHE 84 HB2 PHE 84 3.198 3.257 -4.994
680 2HB PHE 84 HB1 PHE 84 2.170 1.889 -5.407
681 HD1 PHE 84 HD1 PHE 84 2.951 3.969 -2.369
682 HD2 PHE 84 HD2 PHE 84 -0.044 2.048 -4.773
683 HE1 PHE 84 HE1 PHE 84 1.183 4.855 -0.875
684 HE2 PHE 84 HE2 PHE 84 -1.813 2.933 -3.279
685 HZ PHE 84 HZ PHE 84 -1.201 4.341 -1.337
686 H TRP 85 HN TRP 85 3.810 -1.023 -3.282
687 HA TRP 85 HA TRP 85 4.486 -1.719 -6.107
688 1HB TRP 85 HB2 TRP 85 5.606 -3.675 -5.313
689 2HB TRP 85 HB1 TRP 85 6.138 -2.354 -4.284
690 HD1 TRP 85 HD1 TRP 85 4.932 -2.186 -1.828
691 HE1 TRP 85 HE1 TRP 85 4.080 -4.081 -0.300
692 HE3 TRP 85 HE3 TRP 85 4.591 -5.969 -5.231
693 HZ2 TRP 85 HZ2 TRP 85 3.344 -6.841 -0.501
694 HZ3 TRP 85 HZ3 TRP 85 3.818 -8.219 -4.542
695 HH2 TRP 85 HH2 TRP 85 3.195 -8.662 -2.183
696 H LEU 86 HN LEU 86 2.262 -1.606 -6.698
697 HA LEU 86 HA LEU 86 0.282 -3.283 -5.391
698 1HB LEU 86 HB2 LEU 86 -0.525 -1.288 -6.423
699 2HB LEU 86 HB1 LEU 86 0.291 -1.662 -7.942
700 HG LEU 86 HG LEU 86 -1.174 -3.613 -8.264
701 1HD1 LEU 86 HD12 LEU 86 -1.555 -3.402 -5.515
702 2HD1 LEU 86 HD11 LEU 86 -3.102 -2.898 -6.189
703 3HD1 LEU 86 HD13 LEU 86 -2.433 -4.478 -6.599
704 1HD2 LEU 86 HD23 LEU 86 -2.093 -0.838 -8.082
705 2HD2 LEU 86 HD22 LEU 86 -2.366 -2.026 -9.357
706 3HD2 LEU 86 HD21 LEU 86 -3.415 -1.997 -7.940
707 H VAL 87 HN VAL 87 -0.613 -5.217 -6.159
708 HA VAL 87 HA VAL 87 0.973 -6.595 -8.258
709 HB VAL 87 HB VAL 87 0.368 -8.629 -7.097
710 1HG1 VAL 87 HG13 VAL 87 2.083 -6.710 -6.130
711 2HG1 VAL 87 HG12 VAL 87 1.088 -7.075 -4.721
712 3HG1 VAL 87 HG11 VAL 87 1.983 -8.363 -5.527
713 1HG2 VAL 87 HG21 VAL 87 -1.833 -7.249 -6.257
714 2HG2 VAL 87 HG23 VAL 87 -1.310 -8.796 -5.592
715 3HG2 VAL 87 HG22 VAL 87 -0.855 -7.291 -4.793
716 H GLU 88 HN GLU 88 -0.819 -8.729 -8.666
717 HA GLU 88 HA GLU 88 -3.362 -7.429 -9.488
718 1HB GLU 88 HB2 GLU 88 -1.263 -8.528 -11.281
719 2HB GLU 88 HB1 GLU 88 -2.935 -8.911 -11.694
720 1HG GLU 88 HG2 GLU 88 -3.445 -6.742 -12.207
721 2HG GLU 88 HG1 GLU 88 -2.412 -6.093 -10.933
722 H ARG 89 HN ARG 89 -1.577 -10.417 -8.809
723 HA ARG 89 HA ARG 89 -4.191 -11.727 -8.287
724 1HB ARG 89 HB2 ARG 89 -2.004 -12.858 -10.052
725 2HB ARG 89 HB1 ARG 89 -3.340 -13.814 -9.413
726 1HG ARG 89 HG2 ARG 89 -4.753 -13.035 -10.986
727 2HG ARG 89 HG1 ARG 89 -4.297 -11.366 -10.656
728 1HD ARG 89 HD2 ARG 89 -3.639 -11.728 -12.905
729 2HD ARG 89 HD1 ARG 89 -2.147 -11.867 -11.976
730 HE ARG 89 HE ARG 89 -2.946 -13.870 -13.652
731 1HH1 ARG 89 HH21 ARG 89 -4.677 -15.107 -11.654
732 2HH1 ARG 89 HH22 ARG 89 -3.598 -16.117 -10.751
733 1HH2 ARG 89 HH11 ARG 89 -0.736 -14.508 -11.869
734 2HH2 ARG 89 HH12 ARG 89 -1.365 -15.777 -10.873
735 H TRP 90 HN TRP 90 -3.418 -14.164 -7.493
736 HA TRP 90 HA TRP 90 -1.158 -14.875 -6.237
737 1HB TRP 90 HB2 TRP 90 -0.913 -13.994 -4.080
738 2HB TRP 90 HB1 TRP 90 -1.117 -12.612 -5.103
739 HD1 TRP 90 HD1 TRP 90 -2.684 -14.539 -2.311
740 HE1 TRP 90 HE1 TRP 90 -4.732 -13.280 -1.398
741 HE3 TRP 90 HE3 TRP 90 -3.163 -10.878 -5.860
742 HZ2 TRP 90 HZ2 TRP 90 -6.362 -11.044 -2.062
743 HZ3 TRP 90 HZ3 TRP 90 -4.981 -9.214 -5.684
744 HH2 TRP 90 HH2 TRP 90 -6.575 -9.283 -3.795
745 H GLU 91 HN GLU 91 -1.351 -16.255 -4.423
746 HA GLU 91 HA GLU 91 -4.104 -17.316 -3.989
747 1HB GLU 91 HB2 GLU 91 -2.760 -18.731 -5.506
748 2HB GLU 91 HB1 GLU 91 -1.522 -18.876 -4.266
749 1HG GLU 91 HG2 GLU 91 -3.227 -19.838 -2.732
750 2HG GLU 91 HG1 GLU 91 -4.390 -19.808 -4.057
751 H GLY 92 HN GLY 92 -4.213 -16.205 -1.931
752 1HA GLY 92 HA2 GLY 92 -3.560 -17.541 0.367
753 2HA GLY 92 HA1 GLY 92 -2.085 -16.644 0.033
754 H GLU 93 HN GLU 93 -2.516 -15.467 2.031
755 HA GLU 93 HA GLU 93 -4.563 -13.318 1.659
756 1HB GLU 93 HB2 GLU 93 -4.258 -15.169 3.802
757 2HB GLU 93 HB1 GLU 93 -3.746 -13.596 4.406
758 1HG GLU 93 HG2 GLU 93 -6.308 -13.970 2.853
759 2HG GLU 93 HG1 GLU 93 -6.240 -14.122 4.609
760 HA PRO 94 HA PRO 94 -0.260 -11.721 1.059
761 1HB PRO 94 HB2 PRO 94 -1.810 -9.350 0.278
762 2HB PRO 94 HB1 PRO 94 -0.595 -10.255 -0.637
763 1HG PRO 94 HG2 PRO 94 -3.419 -10.376 -0.989
764 2HG PRO 94 HG1 PRO 94 -2.212 -11.425 -1.748
765 1HD PRO 94 HD2 PRO 94 -4.137 -12.158 0.250
766 2HD PRO 94 HD1 PRO 94 -2.855 -13.178 -0.434
767 H TRP 95 HN TRP 95 0.879 -9.983 2.072
768 HA TRP 95 HA TRP 95 -0.341 -9.090 4.628
769 1HB TRP 95 HB2 TRP 95 2.086 -8.440 5.136
770 2HB TRP 95 HB1 TRP 95 1.799 -10.167 4.938
771 HD1 TRP 95 HD1 TRP 95 2.894 -11.370 2.969
772 HE1 TRP 95 HE1 TRP 95 4.523 -10.720 1.118
773 HE3 TRP 95 HE3 TRP 95 2.922 -6.298 3.578
774 HZ2 TRP 95 HZ2 TRP 95 5.721 -8.346 0.029
775 HZ3 TRP 95 HZ3 TRP 95 4.339 -4.878 2.110
776 HH2 TRP 95 HH2 TRP 95 5.727 -5.902 0.354
777 H GLY 96 HN GLY 96 1.274 -6.832 5.035
778 1HA GLY 96 HA2 GLY 96 1.676 -5.022 3.048
779 2HA GLY 96 HA1 GLY 96 -0.064 -4.944 3.271
780 H LYS 97 HN LYS 97 0.437 -5.655 6.193
781 HA LYS 97 HA LYS 97 1.717 -3.195 7.197
782 1HB LYS 97 HB2 LYS 97 -0.578 -2.503 6.951
783 2HB LYS 97 HB1 LYS 97 -1.157 -3.984 7.710
784 1HG LYS 97 HG2 LYS 97 -0.350 -3.366 9.832
785 2HG LYS 97 HG1 LYS 97 0.725 -2.140 9.162
786 1HD LYS 97 HD2 LYS 97 -0.993 -0.611 8.834
787 2HD LYS 97 HD1 LYS 97 -2.222 -1.869 8.718
788 1HE LYS 97 HE2 LYS 97 -1.615 -2.347 11.213
789 2HE LYS 97 HE1 LYS 97 -0.932 -0.721 11.178
790 1HZ LYS 97 HZ1 LYS 97 -3.120 0.016 10.248
791 2HZ LYS 97 HZ3 LYS 97 -3.730 -1.523 10.620
792 3HZ LYS 97 HZ2 LYS 97 -3.164 -0.512 11.862
793 H GLU 98 HN GLU 98 2.094 -3.339 9.571
794 HA GLU 98 HA GLU 98 3.215 -5.716 10.463
795 1HB GLU 98 HB2 GLU 98 2.660 -3.230 11.613
796 2HB GLU 98 HB1 GLU 98 1.808 -4.379 12.646
797 1HG GLU 98 HG2 GLU 98 3.776 -4.876 13.619
798 2HG GLU 98 HG1 GLU 98 4.309 -5.561 12.084
799 H GLY 99 HN GLY 99 2.141 -7.640 10.201
800 1HA GLY 99 HA2 GLY 99 0.653 -9.322 11.033
801 2HA GLY 99 HA1 GLY 99 -0.309 -8.056 11.805
802 H GLN 100 HN GLN 100 -2.340 -8.229 10.861
803 HA GLN 100 HA GLN 100 -2.487 -7.779 7.957
804 1HB GLN 100 HB2 GLN 100 -2.444 -10.206 8.151
805 2HB GLN 100 HB1 GLN 100 -3.732 -10.159 9.356
806 1HG GLN 100 HG2 GLN 100 -5.212 -10.273 7.680
807 2HG GLN 100 HG1 GLN 100 -4.690 -8.660 7.191
808 1HE2 GLN 100 HE22 GLN 100 -3.488 -11.901 5.033
809 2HE2 GLN 100 HE21 GLN 100 -4.356 -12.106 6.476
810 HA PRO 101 HA PRO 101 -5.815 -5.888 10.741
811 1HB PRO 101 HB2 PRO 101 -4.939 -3.255 10.329
812 2HB PRO 101 HB1 PRO 101 -4.670 -4.213 11.793
813 1HG PRO 101 HG2 PRO 101 -2.745 -3.465 9.697
814 2HG PRO 101 HG1 PRO 101 -2.434 -4.095 11.320
815 1HD PRO 101 HD2 PRO 101 -2.211 -5.530 8.868
816 2HD PRO 101 HD1 PRO 101 -2.115 -6.201 10.510
817 H GLY 102 HN GLY 102 -4.458 -5.442 7.628
818 1HA GLY 102 HA2 GLY 102 -6.313 -3.577 6.526
819 2HA GLY 102 HA1 GLY 102 -5.372 -4.726 5.582
820 H GLU 103 HN GLU 103 -7.614 -4.609 4.409
821 HA GLU 103 HA GLU 103 -9.075 -7.040 5.190
822 1HB GLU 103 HB2 GLU 103 -11.293 -5.799 5.129
823 2HB GLU 103 HB1 GLU 103 -10.294 -5.476 6.547
824 1HG GLU 103 HG2 GLU 103 -9.816 -3.709 4.214
825 2HG GLU 103 HG1 GLU 103 -11.377 -3.515 5.014
826 H TRP 104 HN TRP 104 -10.863 -7.466 3.517
827 HA TRP 104 HA TRP 104 -9.810 -6.686 0.844
828 1HB TRP 104 HB2 TRP 104 -11.620 -8.928 1.777
829 2HB TRP 104 HB1 TRP 104 -11.350 -8.568 0.073
830 HD1 TRP 104 HD1 TRP 104 -8.339 -7.888 2.117
831 HE1 TRP 104 HE1 TRP 104 -6.599 -9.764 1.803
832 HE3 TRP 104 HE3 TRP 104 -11.212 -11.356 -0.288
833 HZ2 TRP 104 HZ2 TRP 104 -6.447 -12.394 0.675
834 HZ3 TRP 104 HZ3 TRP 104 -10.248 -13.535 -0.968
835 HH2 TRP 104 HH2 TRP 104 -7.873 -14.059 -0.489
836 H MET 105 HN MET 105 -10.802 -4.789 0.218
837 HA MET 105 HA MET 105 -13.609 -4.275 0.903
838 1HB MET 105 HB2 MET 105 -11.343 -2.721 0.032
839 2HB MET 105 HB1 MET 105 -12.713 -2.414 -1.037
840 1HG MET 105 HG2 MET 105 -13.951 -1.429 0.611
841 2HG MET 105 HG1 MET 105 -13.339 -2.515 1.859
842 1HE MET 105 HE2 MET 105 -10.952 -2.728 2.220
843 2HE MET 105 HE1 MET 105 -9.822 -1.796 1.241
844 3HE MET 105 HE3 MET 105 -10.089 -1.371 2.937
845 H SER 106 HN SER 106 -15.181 -3.714 -0.855
846 HA SER 106 HA SER 106 -14.655 -5.262 -3.355
847 1HB SER 106 HB2 SER 106 -16.522 -5.918 -1.347
848 2HB SER 106 HB1 SER 106 -17.464 -5.226 -2.664
849 HG SER 106 HG SER 106 -17.185 -7.401 -3.072
850 H LEU 107 HN LEU 107 -14.236 -3.326 -4.512
851 HA LEU 107 HA LEU 107 -14.762 -1.338 -5.643
852 1HB LEU 107 HB2 LEU 107 -17.361 -2.870 -5.618
853 2HB LEU 107 HB1 LEU 107 -17.198 -1.330 -6.466
854 HG LEU 107 HG LEU 107 -14.977 -3.132 -7.038
855 1HD1 LEU 107 HD12 LEU 107 -16.933 -4.740 -6.632
856 2HD1 LEU 107 HD11 LEU 107 -17.690 -4.006 -8.046
857 3HD1 LEU 107 HD13 LEU 107 -16.148 -4.846 -8.209
858 1HD2 LEU 107 HD23 LEU 107 -16.728 -1.190 -8.333
859 2HD2 LEU 107 HD22 LEU 107 -15.076 -1.651 -8.745
860 3HD2 LEU 107 HD21 LEU 107 -16.436 -2.592 -9.361
861 H VAL 108 HN VAL 108 -14.551 -0.790 -2.999
862 HA VAL 108 HA VAL 108 -16.999 0.758 -2.281
863 HB VAL 108 HB VAL 108 -14.584 0.083 -0.571
864 1HG1 VAL 108 HG13 VAL 108 -16.773 1.920 -0.258
865 2HG1 VAL 108 HG12 VAL 108 -16.936 0.628 0.930
866 3HG1 VAL 108 HG11 VAL 108 -15.455 1.583 0.863
867 1HG2 VAL 108 HG21 VAL 108 -16.031 -1.874 -1.333
868 2HG2 VAL 108 HG23 VAL 108 -15.918 -1.654 0.413
869 3HG2 VAL 108 HG22 VAL 108 -17.360 -1.122 -0.452
870 H GLY 109 HN GLY 109 -14.913 1.499 -4.310
871 1HA GLY 109 HA2 GLY 109 -14.427 3.834 -4.863
872 2HA GLY 109 HA1 GLY 109 -14.233 4.156 -3.140
873 H LEU 110 HN LEU 110 -12.825 1.868 -5.529
874 HA LEU 110 HA LEU 110 -10.343 1.626 -4.192
875 1HB LEU 110 HB2 LEU 110 -10.460 -0.058 -5.694
876 2HB LEU 110 HB1 LEU 110 -11.702 0.775 -6.602
877 HG LEU 110 HG LEU 110 -9.932 2.175 -7.642
878 1HD1 LEU 110 HD11 LEU 110 -8.306 1.289 -5.666
879 2HD1 LEU 110 HD13 LEU 110 -7.879 0.138 -6.931
880 3HD1 LEU 110 HD12 LEU 110 -7.688 1.869 -7.213
881 1HD2 LEU 110 HD23 LEU 110 -10.140 -0.793 -8.003
882 2HD2 LEU 110 HD22 LEU 110 -10.673 0.501 -9.076
883 3HD2 LEU 110 HD21 LEU 110 -8.960 0.099 -8.963
884 H ASN 111 HN ASN 111 -11.725 4.138 -6.001
885 HA ASN 111 HA ASN 111 -9.262 5.257 -7.068
886 1HB ASN 111 HB2 ASN 111 -12.139 5.932 -7.021
887 2HB ASN 111 HB1 ASN 111 -11.049 7.312 -7.069
888 1HD2 ASN 111 HD22 ASN 111 -10.530 4.623 -10.134
889 2HD2 ASN 111 HD21 ASN 111 -10.687 4.055 -8.542
890 H ALA 112 HN ALA 112 -9.056 7.808 -6.396
891 HA ALA 112 HA ALA 112 -7.982 7.800 -3.752
892 1HB ALA 112 HB2 ALA 112 -7.528 9.409 -5.770
893 2HB ALA 112 HB1 ALA 112 -8.867 10.341 -5.101
894 3HB ALA 112 HB3 ALA 112 -7.426 10.045 -4.128
895 H ASP 113 HN ASP 113 -11.211 8.041 -4.812
896 HA ASP 113 HA ASP 113 -12.350 9.834 -2.930
897 1HB ASP 113 HB2 ASP 113 -13.447 8.654 -4.940
898 2HB ASP 113 HB1 ASP 113 -13.707 7.301 -3.840
899 H ASP 114 HN ASP 114 -12.014 6.279 -2.729
900 HA ASP 114 HA ASP 114 -12.830 6.289 0.082
901 1HB ASP 114 HB2 ASP 114 -13.004 4.381 -1.768
902 2HB ASP 114 HB1 ASP 114 -11.412 3.957 -1.141
903 H PHE 115 HN PHE 115 -10.042 7.191 -1.475
904 HA PHE 115 HA PHE 115 -8.341 6.305 0.809
905 1HB PHE 115 HB2 PHE 115 -7.748 6.932 -2.062
906 2HB PHE 115 HB1 PHE 115 -6.477 7.137 -0.852
907 HD1 PHE 115 HD2 PHE 115 -6.493 5.086 0.977
908 HD2 PHE 115 HD1 PHE 115 -7.788 4.859 -3.113
909 HE1 PHE 115 HE2 PHE 115 -6.141 2.631 0.998
910 HE2 PHE 115 HE1 PHE 115 -7.439 2.406 -3.091
911 HZ PHE 115 HZ PHE 115 -6.615 1.291 -1.036
912 HA PRO 116 HA PRO 116 -9.120 10.507 2.177
913 1HB PRO 116 HB2 PRO 116 -6.965 9.952 4.079
914 2HB PRO 116 HB1 PRO 116 -8.673 10.279 4.395
915 1HG PRO 116 HG2 PRO 116 -7.373 7.761 4.571
916 2HG PRO 116 HG1 PRO 116 -9.114 8.058 4.647
917 1HD PRO 116 HD2 PRO 116 -7.621 6.794 2.522
918 2HD PRO 116 HD1 PRO 116 -9.373 7.052 2.628
919 HA PRO 117 HA PRO 117 -6.015 12.896 0.259
920 1HB PRO 117 HB2 PRO 117 -5.739 14.786 2.421
921 2HB PRO 117 HB1 PRO 117 -6.634 14.980 0.907
922 1HG PRO 117 HG2 PRO 117 -7.719 14.589 3.545
923 2HG PRO 117 HG1 PRO 117 -8.607 14.754 2.025
924 1HD PRO 117 HD2 PRO 117 -8.239 12.370 3.603
925 2HD PRO 117 HD1 PRO 117 -9.123 12.538 2.072
926 H ALA 118 HN ALA 118 -3.946 12.167 0.145
927 HA ALA 118 HA ALA 118 -1.836 12.760 1.805
928 1HB ALA 118 HB3 ALA 118 -3.360 10.364 2.818
929 2HB ALA 118 HB2 ALA 118 -1.617 10.480 3.063
930 3HB ALA 118 HB1 ALA 118 -2.685 11.712 3.735
931 H ASN 119 HN ASN 119 -3.358 10.115 0.015
932 HA ASN 119 HA ASN 119 -0.702 9.535 -1.218
933 1HB ASN 119 HB2 ASN 119 -2.823 7.821 -0.134
934 2HB ASN 119 HB1 ASN 119 -2.318 7.366 -1.757
935 1HD2 ASN 119 HD22 ASN 119 0.810 7.567 0.889
936 2HD2 ASN 119 HD21 ASN 119 -0.260 8.877 0.750
937 H GLU 120 HN GLU 120 -2.426 11.620 -2.116
938 HA GLU 120 HA GLU 120 -4.113 10.771 -4.272
939 1HB GLU 120 HB2 GLU 120 -2.809 13.438 -3.705
940 2HB GLU 120 HB1 GLU 120 -4.055 13.171 -4.926
941 1HG GLU 120 HG2 GLU 120 -5.086 11.983 -2.614
942 2HG GLU 120 HG1 GLU 120 -4.341 13.475 -2.043
943 HA PRO 121 HA PRO 121 -0.195 12.089 -6.906
944 1HB PRO 121 HB2 PRO 121 2.005 10.797 -5.531
945 2HB PRO 121 HB1 PRO 121 1.832 12.496 -5.996
946 1HG PRO 121 HG2 PRO 121 1.680 11.441 -3.361
947 2HG PRO 121 HG1 PRO 121 1.296 13.092 -3.863
948 1HD PRO 121 HD2 PRO 121 -0.525 10.967 -3.068
949 2HD PRO 121 HD1 PRO 121 -0.891 12.678 -3.368
950 H VAL 122 HN VAL 122 -0.267 8.992 -5.069
951 HA VAL 122 HA VAL 122 0.337 7.625 -7.644
952 HB VAL 122 HB VAL 122 1.142 7.172 -4.941
953 1HG1 VAL 122 HG12 VAL 122 -0.744 5.101 -5.994
954 2HG1 VAL 122 HG11 VAL 122 0.701 4.572 -5.143
955 3HG1 VAL 122 HG13 VAL 122 -0.457 5.624 -4.337
956 1HG2 VAL 122 HG22 VAL 122 1.619 5.626 -7.498
957 2HG2 VAL 122 HG21 VAL 122 2.571 6.989 -6.910
958 3HG2 VAL 122 HG23 VAL 122 2.575 5.463 -6.024
959 H ILE 123 HN ILE 123 -2.003 7.709 -4.979
960 HA ILE 123 HA ILE 123 -3.829 5.770 -5.903
961 HB ILE 123 HB ILE 123 -4.326 8.420 -4.527
962 1HG1 ILE 123 HG12 ILE 123 -2.847 6.610 -3.450
963 2HG1 ILE 123 HG11 ILE 123 -4.218 7.179 -2.497
964 1HG2 ILE 123 HG23 ILE 123 -6.122 6.269 -5.470
965 2HG2 ILE 123 HG22 ILE 123 -6.383 6.794 -3.807
966 3HG2 ILE 123 HG21 ILE 123 -6.474 7.961 -5.126
967 1HD1 ILE 123 HD13 ILE 123 -4.844 4.928 -4.302
968 2HD1 ILE 123 HD12 ILE 123 -3.695 4.536 -3.024
969 3HD1 ILE 123 HD11 ILE 123 -5.287 5.172 -2.614
970 H ALA 124 HN ALA 124 -3.125 8.998 -7.012
971 HA ALA 124 HA ALA 124 -5.476 9.285 -8.669
972 1HB ALA 124 HB2 ALA 124 -2.796 10.696 -8.668
973 2HB ALA 124 HB1 ALA 124 -4.120 11.133 -9.748
974 3HB ALA 124 HB3 ALA 124 -4.318 11.290 -8.002
975 H LYS 125 HN LYS 125 -2.196 8.073 -9.183
976 HA LYS 125 HA LYS 125 -2.438 7.811 -12.034
977 1HB LYS 125 HB2 LYS 125 -0.483 7.142 -9.971
978 2HB LYS 125 HB1 LYS 125 -0.573 5.913 -11.233
979 1HG LYS 125 HG2 LYS 125 0.668 7.250 -12.547
980 2HG LYS 125 HG1 LYS 125 -0.673 8.396 -12.572
981 1HD LYS 125 HD2 LYS 125 0.306 9.778 -11.028
982 2HD LYS 125 HD1 LYS 125 1.030 8.438 -10.138
983 1HE LYS 125 HE2 LYS 125 2.210 8.521 -12.744
984 2HE LYS 125 HE1 LYS 125 2.276 10.143 -12.054
985 1HZ LYS 125 HZ3 LYS 125 3.048 7.773 -10.472
986 2HZ LYS 125 HZ2 LYS 125 4.159 8.538 -11.506
987 3HZ LYS 125 HZ1 LYS 125 3.463 9.398 -10.218
988 H LEU 126 HN LEU 126 -2.771 5.398 -9.379
989 HA LEU 126 HA LEU 126 -3.600 3.361 -11.268
990 1HB LEU 126 HB2 LEU 126 -4.078 2.081 -9.135
991 2HB LEU 126 HB1 LEU 126 -2.414 2.553 -9.381
992 HG LEU 126 HG LEU 126 -2.770 4.485 -7.862
993 1HD1 LEU 126 HD13 LEU 126 -5.548 3.300 -7.726
994 2HD1 LEU 126 HD12 LEU 126 -4.925 4.393 -6.492
995 3HD1 LEU 126 HD11 LEU 126 -5.100 4.947 -8.155
996 1HD2 LEU 126 HD23 LEU 126 -2.866 1.684 -7.156
997 2HD2 LEU 126 HD22 LEU 126 -2.041 3.007 -6.331
998 3HD2 LEU 126 HD21 LEU 126 -3.727 2.647 -5.955
999 H LYS 127 HN LYS 127 -5.256 5.937 -10.804
1000 HA LYS 127 HA LYS 127 -7.717 5.214 -9.573
1001 1HB LYS 127 HB2 LYS 127 -6.871 7.219 -11.660
1002 2HB LYS 127 HB1 LYS 127 -8.553 7.050 -11.191
1003 1HG LYS 127 HG2 LYS 127 -7.607 7.208 -8.753
1004 2HG LYS 127 HG1 LYS 127 -6.220 7.940 -9.550
1005 1HD LYS 127 HD2 LYS 127 -7.553 9.709 -10.463
1006 2HD LYS 127 HD1 LYS 127 -9.052 8.898 -10.007
1007 1HE LYS 127 HE2 LYS 127 -7.516 9.146 -7.638
1008 2HE LYS 127 HE1 LYS 127 -7.446 10.710 -8.448
1009 1HZ LYS 127 HZ1 LYS 127 -9.880 10.630 -8.652
1010 2HZ LYS 127 HZ3 LYS 127 -9.900 9.184 -7.766
1011 3HZ LYS 127 HZ2 LYS 127 -9.366 10.620 -7.032
1012 H ARG 128 HN ARG 128 -6.475 4.973 -12.864
1013 HA ARG 128 HA ARG 128 -8.904 3.835 -13.944
1014 1HB ARG 128 HB2 ARG 128 -6.101 4.279 -14.951
1015 2HB ARG 128 HB1 ARG 128 -7.287 3.396 -15.897
1016 1HG ARG 128 HG2 ARG 128 -7.811 5.481 -16.683
1017 2HG ARG 128 HG1 ARG 128 -8.770 5.553 -15.204
1018 1HD ARG 128 HD2 ARG 128 -7.178 6.845 -14.076
1019 2HD ARG 128 HD1 ARG 128 -5.872 6.355 -15.154
1020 HE ARG 128 HE ARG 128 -7.187 8.722 -15.528
1021 1HH1 ARG 128 HH11 ARG 128 -5.871 6.388 -17.475
1022 2HH1 ARG 128 HH12 ARG 128 -6.739 6.816 -18.911
1023 1HH2 ARG 128 HH21 ARG 128 -8.880 9.008 -17.289
1024 2HH2 ARG 128 HH22 ARG 128 -8.441 8.298 -18.808
1025 H LEU 129 HN LEU 129 -6.860 2.558 -11.793
1026 HA LEU 129 HA LEU 129 -5.687 0.226 -12.383
1027 1HB LEU 129 HB2 LEU 129 -6.923 1.199 -10.122
1028 2HB LEU 129 HB1 LEU 129 -7.833 -0.276 -10.433
1029 HG LEU 129 HG LEU 129 -5.738 -1.569 -10.500
1030 1HD1 LEU 129 HD13 LEU 129 -4.603 1.106 -10.675
1031 2HD1 LEU 129 HD12 LEU 129 -3.865 0.183 -9.365
1032 3HD1 LEU 129 HD11 LEU 129 -3.842 -0.449 -11.011
1033 1HD2 LEU 129 HD23 LEU 129 -7.006 -0.827 -8.312
1034 2HD2 LEU 129 HD22 LEU 129 -5.442 -1.632 -8.182
1035 3HD2 LEU 129 HD21 LEU 129 -5.547 0.121 -8.023
No H/Q in entry = 1035
Start of MODEL 5
1 1H MET 1 HT3 MET 1 11.572 11.965 13.008
2 2H MET 1 HT2 MET 1 12.972 12.822 13.449
3 3H MET 1 HT1 MET 1 11.467 13.608 13.415
4 HA MET 1 HA MET 1 11.404 13.754 11.148
5 1HB MET 1 HB2 MET 1 13.218 15.163 11.802
6 2HB MET 1 HB1 MET 1 14.302 13.789 12.016
7 1HG MET 1 HG2 MET 1 14.455 13.405 9.678
8 2HG MET 1 HG1 MET 1 13.057 14.425 9.339
9 1HE MET 1 HE2 MET 1 12.816 16.616 10.124
10 2HE MET 1 HE1 MET 1 13.966 17.263 11.291
11 3HE MET 1 HE3 MET 1 13.949 17.873 9.630
12 H LYS 2 HN LYS 2 13.833 11.291 12.056
13 HA LYS 2 HA LYS 2 14.547 9.377 10.883
14 1HB LYS 2 HB2 LYS 2 11.711 9.260 9.851
15 2HB LYS 2 HB1 LYS 2 12.778 7.921 10.277
16 1HG LYS 2 HG2 LYS 2 12.465 9.657 12.556
17 2HG LYS 2 HG1 LYS 2 10.876 9.202 11.942
18 1HD LYS 2 HD2 LYS 2 11.637 7.540 13.569
19 2HD LYS 2 HD1 LYS 2 11.580 6.816 11.960
20 1HE LYS 2 HE2 LYS 2 14.137 7.866 12.065
21 2HE LYS 2 HE1 LYS 2 13.885 7.284 13.710
22 1HZ LYS 2 HZ1 LYS 2 13.234 5.631 11.347
23 2HZ LYS 2 HZ3 LYS 2 14.784 5.635 12.036
24 3HZ LYS 2 HZ2 LYS 2 13.448 5.131 12.957
25 H LYS 3 HN LYS 3 13.094 8.541 8.332
26 HA LYS 3 HA LYS 3 13.956 10.712 6.501
27 1HB LYS 3 HB2 LYS 3 15.212 8.022 6.777
28 2HB LYS 3 HB1 LYS 3 14.986 8.642 5.140
29 1HG LYS 3 HG2 LYS 3 16.302 10.567 5.565
30 2HG LYS 3 HG1 LYS 3 16.223 10.334 7.310
31 1HD LYS 3 HD2 LYS 3 18.428 9.671 6.275
32 2HD LYS 3 HD1 LYS 3 17.639 8.385 7.188
33 1HE LYS 3 HE2 LYS 3 16.759 8.414 4.412
34 2HE LYS 3 HE1 LYS 3 18.510 8.231 4.537
35 1HZ LYS 3 HZ1 LYS 3 18.057 6.474 6.237
36 2HZ LYS 3 HZ3 LYS 3 16.421 6.553 5.799
37 3HZ LYS 3 HZ2 LYS 3 17.584 6.080 4.654
38 H LEU 4 HN LEU 4 13.300 10.121 4.182
39 HA LEU 4 HA LEU 4 10.544 9.088 4.272
40 1HB LEU 4 HB2 LEU 4 10.440 9.884 1.927
41 2HB LEU 4 HB1 LEU 4 11.003 11.149 3.019
42 HG LEU 4 HG LEU 4 13.366 9.949 2.336
43 1HD1 LEU 4 HD13 LEU 4 11.806 8.646 0.644
44 2HD1 LEU 4 HD12 LEU 4 11.939 10.134 -0.293
45 3HD1 LEU 4 HD11 LEU 4 13.390 9.225 0.130
46 1HD2 LEU 4 HD21 LEU 4 12.848 12.372 2.342
47 2HD2 LEU 4 HD23 LEU 4 13.691 11.903 0.866
48 3HD2 LEU 4 HD22 LEU 4 11.949 12.178 0.838
49 H GLN 5 HN GLN 5 10.106 6.988 3.845
50 HA GLN 5 HA GLN 5 10.932 5.531 1.613
51 1HB GLN 5 HB2 GLN 5 12.570 3.945 3.016
52 2HB GLN 5 HB1 GLN 5 13.172 5.329 2.105
53 1HG GLN 5 HG2 GLN 5 13.620 6.548 3.992
54 2HG GLN 5 HG1 GLN 5 12.243 5.884 4.873
55 1HE2 GLN 5 HE22 GLN 5 14.072 3.134 6.205
56 2HE2 GLN 5 HE21 GLN 5 12.522 3.759 5.909
57 H ILE 6 HN ILE 6 8.890 4.596 1.762
58 HA ILE 6 HA ILE 6 8.465 2.795 4.102
59 HB ILE 6 HB ILE 6 6.733 4.864 2.947
60 1HG1 ILE 6 HG12 ILE 6 5.584 3.807 5.251
61 2HG1 ILE 6 HG11 ILE 6 7.311 3.523 5.474
62 1HG2 ILE 6 HG23 ILE 6 5.550 2.108 3.424
63 2HG2 ILE 6 HG22 ILE 6 4.627 3.586 3.148
64 3HG2 ILE 6 HG21 ILE 6 5.643 2.928 1.865
65 1HD1 ILE 6 HD12 ILE 6 7.640 5.967 4.758
66 2HD1 ILE 6 HD11 ILE 6 5.901 6.149 4.990
67 3HD1 ILE 6 HD13 ILE 6 6.929 5.700 6.349
68 H ALA 7 HN ALA 7 6.977 0.920 3.484
69 HA ALA 7 HA ALA 7 7.316 0.172 0.622
70 1HB ALA 7 HB2 ALA 7 8.190 -1.352 3.062
71 2HB ALA 7 HB1 ALA 7 7.704 -2.226 1.609
72 3HB ALA 7 HB3 ALA 7 9.054 -1.093 1.547
73 H VAL 8 HN VAL 8 5.030 0.766 0.520
74 HA VAL 8 HA VAL 8 3.165 -0.919 2.097
75 HB VAL 8 HB VAL 8 2.621 1.479 1.706
76 1HG1 VAL 8 HG12 VAL 8 2.839 0.584 -1.132
77 2HG1 VAL 8 HG11 VAL 8 1.737 1.888 -0.721
78 3HG1 VAL 8 HG13 VAL 8 3.459 2.049 -0.383
79 1HG2 VAL 8 HG23 VAL 8 0.907 -0.581 1.705
80 2HG2 VAL 8 HG22 VAL 8 0.363 1.080 1.460
81 3HG2 VAL 8 HG21 VAL 8 0.600 0.014 0.075
82 H GLY 9 HN GLY 9 2.007 -2.618 1.233
83 1HA GLY 9 HA2 GLY 9 2.463 -3.220 -1.659
84 2HA GLY 9 HA1 GLY 9 2.649 -4.473 -0.432
85 H ILE 10 HN ILE 10 0.502 -3.236 -2.636
86 HA ILE 10 HA ILE 10 -1.877 -3.936 -1.008
87 HB ILE 10 HB ILE 10 -2.214 -3.030 -3.805
88 1HG1 ILE 10 HG12 ILE 10 -1.318 -1.073 -1.659
89 2HG1 ILE 10 HG11 ILE 10 -0.263 -1.646 -2.949
90 1HG2 ILE 10 HG23 ILE 10 -3.479 -2.725 -1.131
91 2HG2 ILE 10 HG22 ILE 10 -3.762 -1.456 -2.323
92 3HG2 ILE 10 HG21 ILE 10 -4.214 -3.123 -2.685
93 1HD1 ILE 10 HD13 ILE 10 -2.862 -0.708 -3.920
94 2HD1 ILE 10 HD12 ILE 10 -1.915 0.550 -3.124
95 3HD1 ILE 10 HD11 ILE 10 -1.240 -0.328 -4.494
96 H ILE 11 HN ILE 11 -3.584 -5.235 -2.326
97 HA ILE 11 HA ILE 11 -2.325 -7.088 -4.250
98 HB ILE 11 HB ILE 11 -3.935 -8.561 -2.339
99 1HG1 ILE 11 HG12 ILE 11 -2.633 -6.690 -0.945
100 2HG1 ILE 11 HG11 ILE 11 -2.804 -8.333 -0.371
101 1HG2 ILE 11 HG21 ILE 11 -2.328 -9.385 -4.158
102 2HG2 ILE 11 HG23 ILE 11 -1.025 -8.987 -3.044
103 3HG2 ILE 11 HG22 ILE 11 -2.228 -10.190 -2.594
104 1HD1 ILE 11 HD11 ILE 11 -0.551 -8.835 -1.431
105 2HD1 ILE 11 HD13 ILE 11 -0.382 -7.104 -1.699
106 3HD1 ILE 11 HD12 ILE 11 -0.504 -7.735 -0.059
107 H ARG 12 HN ARG 12 -3.840 -8.315 -5.433
108 HA ARG 12 HA ARG 12 -6.713 -8.009 -5.058
109 1HB ARG 12 HB2 ARG 12 -5.600 -5.907 -6.372
110 2HB ARG 12 HB1 ARG 12 -5.880 -7.006 -7.722
111 1HG ARG 12 HG2 ARG 12 -8.238 -7.276 -6.420
112 2HG ARG 12 HG1 ARG 12 -7.843 -5.613 -5.985
113 1HD ARG 12 HD2 ARG 12 -9.151 -5.726 -8.092
114 2HD ARG 12 HD1 ARG 12 -7.545 -5.042 -8.346
115 HE ARG 12 HE ARG 12 -7.202 -7.753 -8.829
116 1HH1 ARG 12 HH21 ARG 12 -9.807 -8.221 -9.835
117 2HH1 ARG 12 HH22 ARG 12 -9.783 -7.624 -11.460
118 1HH2 ARG 12 HH11 ARG 12 -6.931 -5.706 -10.991
119 2HH2 ARG 12 HH12 ARG 12 -8.154 -6.199 -12.115
120 H ASN 13 HN ASN 13 -7.377 -10.062 -5.581
121 HA ASN 13 HA ASN 13 -5.791 -11.539 -7.633
122 1HB ASN 13 HB2 ASN 13 -6.650 -12.282 -5.089
123 2HB ASN 13 HB1 ASN 13 -7.757 -13.120 -6.172
124 1HD2 ASN 13 HD22 ASN 13 -4.428 -14.984 -5.653
125 2HD2 ASN 13 HD21 ASN 13 -5.399 -14.168 -4.525
126 H GLU 14 HN GLU 14 -7.862 -13.545 -7.970
127 HA GLU 14 HA GLU 14 -9.376 -12.212 -10.085
128 1HB GLU 14 HB2 GLU 14 -9.426 -15.080 -9.098
129 2HB GLU 14 HB1 GLU 14 -10.258 -14.491 -10.539
130 1HG GLU 14 HG2 GLU 14 -8.367 -14.638 -11.750
131 2HG GLU 14 HG1 GLU 14 -7.502 -13.635 -10.585
132 H ASN 15 HN ASN 15 -9.840 -12.565 -6.795
133 HA ASN 15 HA ASN 15 -12.719 -12.989 -6.823
134 1HB ASN 15 HB2 ASN 15 -12.430 -12.247 -4.398
135 2HB ASN 15 HB1 ASN 15 -11.569 -13.706 -4.861
136 1HD2 ASN 15 HD22 ASN 15 -8.872 -11.965 -3.238
137 2HD2 ASN 15 HD21 ASN 15 -10.116 -13.084 -2.955
138 H ASN 16 HN ASN 16 -10.944 -10.524 -7.951
139 HA ASN 16 HA ASN 16 -11.281 -8.254 -8.286
140 1HB ASN 16 HB2 ASN 16 -13.348 -9.276 -9.255
141 2HB ASN 16 HB1 ASN 16 -14.132 -9.057 -7.698
142 1HD2 ASN 16 HD22 ASN 16 -13.836 -5.941 -10.256
143 2HD2 ASN 16 HD21 ASN 16 -13.313 -7.500 -10.668
144 H GLU 17 HN GLU 17 -10.434 -8.911 -5.705
145 HA GLU 17 HA GLU 17 -11.785 -6.771 -4.125
146 1HB GLU 17 HB2 GLU 17 -10.813 -9.411 -2.981
147 2HB GLU 17 HB1 GLU 17 -11.625 -8.115 -2.100
148 1HG GLU 17 HG2 GLU 17 -13.346 -8.622 -4.218
149 2HG GLU 17 HG1 GLU 17 -12.773 -10.228 -3.766
150 H ILE 18 HN ILE 18 -10.310 -5.626 -2.728
151 HA ILE 18 HA ILE 18 -7.445 -6.127 -3.408
152 HB ILE 18 HB ILE 18 -8.199 -3.546 -2.164
153 1HG1 ILE 18 HG12 ILE 18 -8.874 -4.064 -5.071
154 2HG1 ILE 18 HG11 ILE 18 -10.087 -4.090 -3.790
155 1HG2 ILE 18 HG23 ILE 18 -5.933 -4.365 -3.147
156 2HG2 ILE 18 HG22 ILE 18 -6.666 -4.013 -4.712
157 3HG2 ILE 18 HG21 ILE 18 -6.467 -2.726 -3.522
158 1HD1 ILE 18 HD12 ILE 18 -8.229 -1.742 -4.202
159 2HD1 ILE 18 HD11 ILE 18 -9.793 -1.858 -5.008
160 3HD1 ILE 18 HD13 ILE 18 -9.710 -1.799 -3.247
161 H PHE 19 HN PHE 19 -5.883 -5.871 -1.668
162 HA PHE 19 HA PHE 19 -7.066 -6.516 0.994
163 1HB PHE 19 HB2 PHE 19 -5.490 -8.176 0.137
164 2HB PHE 19 HB1 PHE 19 -4.279 -6.923 -0.116
165 HD1 PHE 19 HD1 PHE 19 -6.554 -8.001 2.676
166 HD2 PHE 19 HD2 PHE 19 -2.595 -6.850 1.473
167 HE1 PHE 19 HE1 PHE 19 -5.768 -8.273 5.012
168 HE2 PHE 19 HE2 PHE 19 -1.810 -7.122 3.805
169 HZ PHE 19 HZ PHE 19 -3.386 -7.833 5.575
170 H ILE 20 HN ILE 20 -7.512 -4.074 1.066
171 HA ILE 20 HA ILE 20 -5.202 -2.318 1.433
172 HB ILE 20 HB ILE 20 -7.971 -1.607 2.343
173 1HG1 ILE 20 HG12 ILE 20 -8.476 -2.706 0.270
174 2HG1 ILE 20 HG11 ILE 20 -8.428 -0.979 -0.087
175 1HG2 ILE 20 HG21 ILE 20 -5.493 -0.292 1.668
176 2HG2 ILE 20 HG23 ILE 20 -6.795 0.317 0.647
177 3HG2 ILE 20 HG22 ILE 20 -6.944 0.390 2.403
178 1HD1 ILE 20 HD13 ILE 20 -5.789 -1.769 -0.386
179 2HD1 ILE 20 HD12 ILE 20 -6.699 -3.120 -1.062
180 3HD1 ILE 20 HD11 ILE 20 -6.935 -1.491 -1.697
181 H THR 21 HN THR 21 -5.523 -0.842 3.591
182 HA THR 21 HA THR 21 -6.281 -2.471 5.915
183 HB THR 21 HB THR 21 -3.609 -1.507 6.376
184 HG1 THR 21 HG1 THR 21 -3.796 -3.556 4.451
185 1HG2 THR 21 HG22 THR 21 -5.126 -3.364 7.475
186 2HG2 THR 21 HG21 THR 21 -4.373 -4.400 6.263
187 3HG2 THR 21 HG23 THR 21 -3.373 -3.555 7.446
188 H ARG 22 HN ARG 22 -6.670 -1.163 7.721
189 HA ARG 22 HA ARG 22 -5.806 1.639 7.703
190 1HB ARG 22 HB2 ARG 22 -8.317 0.802 6.615
191 2HB ARG 22 HB1 ARG 22 -8.614 1.700 8.098
192 1HG ARG 22 HG2 ARG 22 -6.569 3.088 6.729
193 2HG ARG 22 HG1 ARG 22 -7.792 2.690 5.522
194 1HD ARG 22 HD2 ARG 22 -8.376 4.824 6.515
195 2HD ARG 22 HD1 ARG 22 -9.535 3.617 7.075
196 HE ARG 22 HE ARG 22 -7.578 3.595 9.030
197 1HH1 ARG 22 HH11 ARG 22 -9.946 5.697 7.716
198 2HH1 ARG 22 HH12 ARG 22 -9.827 6.860 8.994
199 1HH2 ARG 22 HH21 ARG 22 -7.233 5.218 10.604
200 2HH2 ARG 22 HH22 ARG 22 -8.291 6.588 10.630
201 H ARG 23 HN ARG 23 -5.371 2.122 9.819
202 HA ARG 23 HA ARG 23 -6.362 0.386 11.949
203 1HB ARG 23 HB2 ARG 23 -4.801 1.574 13.310
204 2HB ARG 23 HB1 ARG 23 -4.007 1.332 11.767
205 1HG ARG 23 HG2 ARG 23 -5.116 3.676 11.212
206 2HG ARG 23 HG1 ARG 23 -5.095 3.849 12.968
207 1HD ARG 23 HD2 ARG 23 -2.702 3.481 13.038
208 2HD ARG 23 HD1 ARG 23 -2.669 3.085 11.318
209 HE ARG 23 HE ARG 23 -3.727 5.644 11.382
210 1HH1 ARG 23 HH11 ARG 23 -2.207 6.167 13.855
211 2HH1 ARG 23 HH12 ARG 23 -0.658 6.665 13.262
212 1HH2 ARG 23 HH21 ARG 23 -1.171 5.394 10.078
213 2HH2 ARG 23 HH22 ARG 23 -0.072 6.228 11.125
214 H ALA 24 HN ALA 24 -8.514 1.699 10.759
215 HA ALA 24 HA ALA 24 -9.119 4.143 12.254
216 1HB ALA 24 HB3 ALA 24 -9.994 3.104 9.856
217 2HB ALA 24 HB2 ALA 24 -11.359 2.777 10.924
218 3HB ALA 24 HB1 ALA 24 -10.771 4.427 10.725
219 H ALA 25 HN ALA 25 -9.923 4.124 14.282
220 HA ALA 25 HA ALA 25 -10.906 1.606 15.447
221 1HB ALA 25 HB2 ALA 25 -9.554 3.805 16.464
222 2HB ALA 25 HB1 ALA 25 -11.195 4.031 17.070
223 3HB ALA 25 HB3 ALA 25 -10.322 2.541 17.428
224 H ASP 26 HN ASP 26 -12.170 4.715 14.385
225 HA ASP 26 HA ASP 26 -14.900 3.895 15.248
226 1HB ASP 26 HB2 ASP 26 -15.523 6.230 14.857
227 2HB ASP 26 HB1 ASP 26 -14.098 6.168 15.895
228 H ALA 27 HN ALA 27 -15.871 5.851 13.062
229 HA ALA 27 HA ALA 27 -16.614 5.672 10.844
230 1HB ALA 27 HB2 ALA 27 -13.964 5.288 10.667
231 2HB ALA 27 HB1 ALA 27 -14.494 3.679 10.176
232 3HB ALA 27 HB3 ALA 27 -15.025 5.098 9.272
233 H HIS 28 HN HIS 28 -18.465 4.480 11.720
234 HA HIS 28 HA HIS 28 -18.343 1.546 11.711
235 1HB HIS 28 HB2 HIS 28 -20.666 1.654 12.430
236 2HB HIS 28 HB1 HIS 28 -19.727 2.822 13.361
237 HD1 HIS 28 HD1 HIS 28 -22.371 2.575 10.722
238 HD2 HIS 28 HD2 HIS 28 -20.246 5.562 12.709
239 HE1 HIS 28 HE1 HIS 28 -23.535 4.761 10.188
240 H MET 29 HN MET 29 -19.353 0.211 10.185
241 HA MET 29 HA MET 29 -20.217 -0.401 8.093
242 1HB MET 29 HB2 MET 29 -21.986 1.374 9.013
243 2HB MET 29 HB1 MET 29 -21.360 2.327 7.666
244 1HG MET 29 HG2 MET 29 -22.238 0.919 6.085
245 2HG MET 29 HG1 MET 29 -21.990 -0.517 7.079
246 1HE MET 29 HE3 MET 29 -23.827 -1.339 6.152
247 2HE MET 29 HE2 MET 29 -24.647 -1.764 7.651
248 3HE MET 29 HE1 MET 29 -25.527 -0.911 6.386
249 H ALA 30 HN ALA 30 -18.300 -0.550 6.920
250 HA ALA 30 HA ALA 30 -16.763 0.025 5.245
251 1HB ALA 30 HB1 ALA 30 -19.120 1.136 4.447
252 2HB ALA 30 HB3 ALA 30 -18.105 2.573 4.565
253 3HB ALA 30 HB2 ALA 30 -17.624 1.238 3.517
254 H ASN 31 HN ASN 31 -14.798 0.980 5.468
255 HA ASN 31 HA ASN 31 -14.641 3.468 7.130
256 1HB ASN 31 HB2 ASN 31 -12.520 1.322 6.848
257 2HB ASN 31 HB1 ASN 31 -12.494 2.701 7.947
258 1HD2 ASN 31 HD22 ASN 31 -13.709 0.192 10.229
259 2HD2 ASN 31 HD21 ASN 31 -12.284 0.921 9.660
260 H LYS 32 HN LYS 32 -12.105 4.251 6.675
261 HA LYS 32 HA LYS 32 -12.156 4.912 3.789
262 1HB LYS 32 HB2 LYS 32 -11.050 6.147 6.231
263 2HB LYS 32 HB1 LYS 32 -9.996 6.249 4.818
264 1HG LYS 32 HG2 LYS 32 -11.853 7.192 3.496
265 2HG LYS 32 HG1 LYS 32 -12.908 7.089 4.903
266 1HD LYS 32 HD2 LYS 32 -11.089 8.506 6.096
267 2HD LYS 32 HD1 LYS 32 -10.531 8.885 4.469
268 1HE LYS 32 HE2 LYS 32 -12.077 10.613 5.033
269 2HE LYS 32 HE1 LYS 32 -12.937 9.536 3.933
270 1HZ LYS 32 HZ1 LYS 32 -13.202 8.669 6.622
271 2HZ LYS 32 HZ3 LYS 32 -13.713 10.278 6.468
272 3HZ LYS 32 HZ2 LYS 32 -14.412 9.070 5.500
273 H LEU 33 HN LEU 33 -9.883 4.936 2.727
274 HA LEU 33 HA LEU 33 -8.605 2.322 3.332
275 1HB LEU 33 HB2 LEU 33 -8.658 4.087 0.889
276 2HB LEU 33 HB1 LEU 33 -7.697 2.640 1.030
277 HG LEU 33 HG LEU 33 -9.820 2.172 -0.111
278 1HD1 LEU 33 HD11 LEU 33 -8.751 0.848 2.179
279 2HD1 LEU 33 HD13 LEU 33 -10.509 0.700 2.233
280 3HD1 LEU 33 HD12 LEU 33 -9.618 0.138 0.817
281 1HD2 LEU 33 HD23 LEU 33 -10.971 4.008 1.384
282 2HD2 LEU 33 HD22 LEU 33 -11.902 2.623 0.813
283 3HD2 LEU 33 HD21 LEU 33 -11.275 2.645 2.461
284 H GLU 34 HN GLU 34 -6.193 2.403 2.575
285 HA GLU 34 HA GLU 34 -4.866 4.957 2.974
286 1HB GLU 34 HB2 GLU 34 -5.470 3.654 5.289
287 2HB GLU 34 HB1 GLU 34 -3.869 3.017 4.946
288 1HG GLU 34 HG2 GLU 34 -2.857 5.103 5.122
289 2HG GLU 34 HG1 GLU 34 -4.331 5.965 4.681
290 H PHE 35 HN PHE 35 -2.398 3.968 3.752
291 HA PHE 35 HA PHE 35 -1.660 1.866 1.802
292 1HB PHE 35 HB2 PHE 35 -0.716 4.730 1.751
293 2HB PHE 35 HB1 PHE 35 0.327 3.437 1.158
294 HD1 PHE 35 HD1 PHE 35 -3.103 4.856 0.813
295 HD2 PHE 35 HD2 PHE 35 0.026 2.556 -1.010
296 HE1 PHE 35 HE1 PHE 35 -4.363 4.837 -1.322
297 HE2 PHE 35 HE2 PHE 35 -1.234 2.530 -3.145
298 HZ PHE 35 HZ PHE 35 -3.430 3.673 -3.301
299 HA PRO 36 HA PRO 36 0.292 1.396 5.928
300 1HB PRO 36 HB2 PRO 36 0.449 -1.410 5.291
301 2HB PRO 36 HB1 PRO 36 -0.591 -0.618 6.482
302 1HG PRO 36 HG2 PRO 36 -1.370 -1.757 3.953
303 2HG PRO 36 HG1 PRO 36 -2.394 -0.963 5.152
304 1HD PRO 36 HD2 PRO 36 -1.583 0.055 2.591
305 2HD PRO 36 HD1 PRO 36 -2.603 0.849 3.808
306 H GLY 37 HN GLY 37 2.131 -0.913 5.827
307 1HA GLY 37 HA2 GLY 37 3.913 -1.241 3.835
308 2HA GLY 37 HA1 GLY 37 4.306 0.405 4.334
309 H GLY 38 HN GLY 38 6.428 -0.767 4.805
310 1HA GLY 38 HA2 GLY 38 6.443 -1.484 7.677
311 2HA GLY 38 HA1 GLY 38 7.121 -2.667 6.556
312 H LYS 39 HN LYS 39 7.449 0.623 5.632
313 HA LYS 39 HA LYS 39 9.289 2.069 5.594
314 1HB LYS 39 HB2 LYS 39 9.347 0.901 8.137
315 2HB LYS 39 HB1 LYS 39 10.985 0.694 7.511
316 1HG LYS 39 HG2 LYS 39 10.844 2.843 8.638
317 2HG LYS 39 HG1 LYS 39 11.002 3.123 6.904
318 1HD LYS 39 HD2 LYS 39 9.233 4.540 7.378
319 2HD LYS 39 HD1 LYS 39 8.347 3.061 7.005
320 1HE LYS 39 HE2 LYS 39 9.234 3.282 9.810
321 2HE LYS 39 HE1 LYS 39 8.045 4.489 9.321
322 1HZ LYS 39 HZ3 LYS 39 7.267 2.027 8.259
323 2HZ LYS 39 HZ2 LYS 39 7.640 1.776 9.896
324 3HZ LYS 39 HZ1 LYS 39 6.487 2.944 9.454
325 H ILE 40 HN ILE 40 11.332 2.121 4.562
326 HA ILE 40 HA ILE 40 12.104 -0.455 3.316
327 HB ILE 40 HB ILE 40 11.874 2.215 2.369
328 1HG1 ILE 40 HG12 ILE 40 13.271 0.310 0.625
329 2HG1 ILE 40 HG11 ILE 40 11.831 -0.360 1.394
330 1HG2 ILE 40 HG23 ILE 40 14.254 2.488 3.184
331 2HG2 ILE 40 HG22 ILE 40 14.717 1.219 2.050
332 3HG2 ILE 40 HG21 ILE 40 14.038 2.732 1.451
333 1HD1 ILE 40 HD12 ILE 40 11.917 2.261 -0.129
334 2HD1 ILE 40 HD11 ILE 40 11.302 0.739 -0.773
335 3HD1 ILE 40 HD13 ILE 40 10.485 1.517 0.582
336 H GLU 41 HN GLU 41 14.005 -1.463 3.878
337 HA GLU 41 HA GLU 41 15.991 0.116 5.451
338 1HB GLU 41 HB2 GLU 41 15.459 -2.737 6.197
339 2HB GLU 41 HB1 GLU 41 16.056 -1.413 7.197
340 1HG GLU 41 HG2 GLU 41 13.684 -0.376 6.760
341 2HG GLU 41 HG1 GLU 41 13.233 -2.039 6.378
342 H MET 42 HN MET 42 17.488 -2.431 5.906
343 HA MET 42 HA MET 42 19.421 -2.376 3.972
344 1HB MET 42 HB2 MET 42 19.703 -4.885 4.402
345 2HB MET 42 HB1 MET 42 19.731 -3.842 5.824
346 1HG MET 42 HG2 MET 42 17.124 -4.294 5.817
347 2HG MET 42 HG1 MET 42 17.591 -5.726 4.900
348 1HE MET 42 HE3 MET 42 17.814 -7.670 5.781
349 2HE MET 42 HE2 MET 42 19.565 -7.521 5.919
350 3HE MET 42 HE1 MET 42 18.635 -8.183 7.261
351 H GLY 43 HN GLY 43 19.866 -3.827 2.103
352 1HA GLY 43 HA2 GLY 43 18.436 -5.535 0.651
353 2HA GLY 43 HA1 GLY 43 17.426 -4.104 0.437
354 H GLU 44 HN GLU 44 17.941 -4.211 -1.867
355 HA GLU 44 HA GLU 44 20.661 -3.111 -2.462
356 1HB GLU 44 HB2 GLU 44 19.111 -4.697 -4.489
357 2HB GLU 44 HB1 GLU 44 20.852 -4.455 -4.364
358 1HG GLU 44 HG2 GLU 44 20.492 -5.718 -2.042
359 2HG GLU 44 HG1 GLU 44 19.098 -6.377 -2.899
360 H THR 45 HN THR 45 17.218 -3.142 -3.252
361 HA THR 45 HA THR 45 17.357 -0.357 -4.088
362 HB THR 45 HB THR 45 17.902 -2.218 -6.056
363 HG1 THR 45 HG1 THR 45 17.375 0.398 -5.840
364 1HG2 THR 45 HG21 THR 45 15.551 -3.030 -5.982
365 2HG2 THR 45 HG23 THR 45 15.004 -1.407 -6.398
366 3HG2 THR 45 HG22 THR 45 15.981 -2.327 -7.540
367 HA PRO 46 HA PRO 46 13.202 -0.166 -2.794
368 1HB PRO 46 HB2 PRO 46 11.955 0.721 -5.239
369 2HB PRO 46 HB1 PRO 46 12.388 1.674 -3.812
370 1HG PRO 46 HG2 PRO 46 13.688 1.681 -6.376
371 2HG PRO 46 HG1 PRO 46 14.144 2.593 -4.933
372 1HD PRO 46 HD2 PRO 46 15.490 0.328 -6.088
373 2HD PRO 46 HD1 PRO 46 15.957 1.250 -4.648
374 H GLU 47 HN GLU 47 13.951 -2.398 -5.216
375 HA GLU 47 HA GLU 47 11.170 -3.438 -5.345
376 1HB GLU 47 HB2 GLU 47 13.433 -3.408 -7.162
377 2HB GLU 47 HB1 GLU 47 12.868 -5.057 -6.899
378 1HG GLU 47 HG2 GLU 47 11.028 -4.693 -8.148
379 2HG GLU 47 HG1 GLU 47 10.618 -3.257 -7.208
380 H GLN 48 HN GLN 48 14.494 -4.637 -4.847
381 HA GLN 48 HA GLN 48 13.770 -7.156 -3.786
382 1HB GLN 48 HB2 GLN 48 16.122 -5.782 -4.434
383 2HB GLN 48 HB1 GLN 48 16.235 -6.084 -2.697
384 1HG GLN 48 HG2 GLN 48 15.777 -8.429 -3.037
385 2HG GLN 48 HG1 GLN 48 15.532 -8.158 -4.762
386 1HE2 GLN 48 HE22 GLN 48 19.137 -9.221 -3.868
387 2HE2 GLN 48 HE21 GLN 48 17.663 -9.795 -3.253
388 H ALA 49 HN ALA 49 14.658 -4.134 -2.333
389 HA ALA 49 HA ALA 49 14.633 -4.722 0.354
390 1HB ALA 49 HB2 ALA 49 13.601 -2.294 -1.103
391 2HB ALA 49 HB1 ALA 49 13.602 -2.376 0.658
392 3HB ALA 49 HB3 ALA 49 15.122 -2.481 -0.230
393 H VAL 50 HN VAL 50 11.746 -3.912 -1.588
394 HA VAL 50 HA VAL 50 9.908 -4.505 0.603
395 HB VAL 50 HB VAL 50 9.629 -2.864 -1.361
396 1HG1 VAL 50 HG12 VAL 50 9.914 -5.181 -2.852
397 2HG1 VAL 50 HG11 VAL 50 8.175 -4.907 -2.871
398 3HG1 VAL 50 HG13 VAL 50 9.271 -3.657 -3.458
399 1HG2 VAL 50 HG22 VAL 50 7.856 -4.002 0.318
400 2HG2 VAL 50 HG21 VAL 50 7.403 -2.807 -0.896
401 3HG2 VAL 50 HG23 VAL 50 7.194 -4.526 -1.232
402 H VAL 51 HN VAL 51 11.428 -6.263 -1.915
403 HA VAL 51 HA VAL 51 9.538 -8.362 -2.332
404 HB VAL 51 HB VAL 51 12.049 -7.657 -3.284
405 1HG1 VAL 51 HG12 VAL 51 12.311 -10.157 -1.609
406 2HG1 VAL 51 HG11 VAL 51 13.366 -9.813 -2.976
407 3HG1 VAL 51 HG13 VAL 51 13.338 -8.726 -1.593
408 1HG2 VAL 51 HG21 VAL 51 10.070 -9.739 -3.711
409 2HG2 VAL 51 HG23 VAL 51 10.950 -8.755 -4.879
410 3HG2 VAL 51 HG22 VAL 51 11.695 -10.210 -4.213
411 H ARG 52 HN ARG 52 12.284 -7.988 -0.301
412 HA ARG 52 HA ARG 52 12.162 -10.289 1.286
413 1HB ARG 52 HB2 ARG 52 13.608 -7.856 1.122
414 2HB ARG 52 HB1 ARG 52 13.052 -8.008 2.780
415 1HG ARG 52 HG2 ARG 52 14.530 -10.118 1.201
416 2HG ARG 52 HG1 ARG 52 15.234 -9.122 2.478
417 1HD ARG 52 HD2 ARG 52 13.658 -10.073 4.108
418 2HD ARG 52 HD1 ARG 52 12.913 -11.044 2.837
419 HE ARG 52 HE ARG 52 15.016 -12.006 4.291
420 1HH1 ARG 52 HH11 ARG 52 17.142 -10.939 2.756
421 2HH1 ARG 52 HH12 ARG 52 17.288 -11.989 1.386
422 1HH2 ARG 52 HH21 ARG 52 14.132 -13.370 1.779
423 2HH2 ARG 52 HH22 ARG 52 15.583 -13.365 0.832
424 H GLU 53 HN GLU 53 10.460 -7.144 1.598
425 HA GLU 53 HA GLU 53 9.430 -7.655 4.243
426 1HB GLU 53 HB2 GLU 53 8.415 -5.932 1.966
427 2HB GLU 53 HB1 GLU 53 7.662 -5.960 3.562
428 1HG GLU 53 HG2 GLU 53 10.464 -5.666 3.960
429 2HG GLU 53 HG1 GLU 53 9.991 -4.509 2.718
430 H LEU 54 HN LEU 54 8.540 -8.785 1.099
431 HA LEU 54 HA LEU 54 5.856 -9.637 1.767
432 1HB LEU 54 HB2 LEU 54 6.297 -9.356 -0.537
433 2HB LEU 54 HB1 LEU 54 7.798 -10.246 -0.452
434 HG LEU 54 HG LEU 54 6.730 -12.319 -0.437
435 1HD1 LEU 54 HD13 LEU 54 4.806 -11.040 1.212
436 2HD1 LEU 54 HD12 LEU 54 3.931 -11.693 -0.167
437 3HD1 LEU 54 HD11 LEU 54 4.928 -12.749 0.825
438 1HD2 LEU 54 HD21 LEU 54 6.180 -10.639 -2.467
439 2HD2 LEU 54 HD23 LEU 54 5.600 -12.303 -2.433
440 3HD2 LEU 54 HD22 LEU 54 4.533 -10.988 -1.940
441 H GLN 55 HN GLN 55 8.593 -11.660 0.851
442 HA GLN 55 HA GLN 55 7.589 -14.032 2.024
443 1HB GLN 55 HB2 GLN 55 9.806 -14.960 1.704
444 2HB GLN 55 HB1 GLN 55 9.425 -13.916 0.334
445 1HG GLN 55 HG2 GLN 55 11.459 -12.996 0.790
446 2HG GLN 55 HG1 GLN 55 10.565 -12.117 2.031
447 1HE2 GLN 55 HE22 GLN 55 12.688 -15.429 3.262
448 2HE2 GLN 55 HE21 GLN 55 11.957 -15.444 1.730
449 H GLU 56 HN GLU 56 9.177 -11.361 3.594
450 HA GLU 56 HA GLU 56 10.005 -12.968 5.897
451 1HB GLU 56 HB2 GLU 56 10.779 -10.924 6.851
452 2HB GLU 56 HB1 GLU 56 11.120 -10.809 5.125
453 1HG GLU 56 HG2 GLU 56 9.189 -9.420 4.759
454 2HG GLU 56 HG1 GLU 56 8.607 -9.698 6.398
455 H GLU 57 HN GLU 57 7.000 -12.090 4.878
456 HA GLU 57 HA GLU 57 5.977 -12.067 7.673
457 1HB GLU 57 HB2 GLU 57 5.885 -9.777 6.854
458 2HB GLU 57 HB1 GLU 57 5.071 -10.309 5.382
459 1HG GLU 57 HG2 GLU 57 3.088 -10.812 6.498
460 2HG GLU 57 HG1 GLU 57 3.893 -10.965 8.060
461 H VAL 58 HN VAL 58 4.741 -12.196 4.302
462 HA VAL 58 HA VAL 58 2.961 -14.446 5.170
463 HB VAL 58 HB VAL 58 1.316 -13.073 4.386
464 1HG1 VAL 58 HG11 VAL 58 3.008 -11.204 4.425
465 2HG1 VAL 58 HG13 VAL 58 3.309 -11.535 2.720
466 3HG1 VAL 58 HG12 VAL 58 1.711 -11.005 3.244
467 1HG2 VAL 58 HG23 VAL 58 2.635 -13.660 1.718
468 2HG2 VAL 58 HG22 VAL 58 1.336 -14.582 2.476
469 3HG2 VAL 58 HG21 VAL 58 1.037 -12.943 1.902
470 H GLY 59 HN GLY 59 4.962 -13.176 2.580
471 1HA GLY 59 HA2 GLY 59 6.148 -14.226 0.883
472 2HA GLY 59 HA1 GLY 59 6.181 -15.642 1.937
473 H ILE 60 HN ILE 60 4.048 -13.903 -0.302
474 HA ILE 60 HA ILE 60 2.427 -16.316 -0.763
475 HB ILE 60 HB ILE 60 1.931 -14.469 -2.854
476 1HG1 ILE 60 HG12 ILE 60 2.239 -13.071 -0.181
477 2HG1 ILE 60 HG11 ILE 60 3.193 -12.735 -1.621
478 1HG2 ILE 60 HG23 ILE 60 0.575 -15.065 -0.215
479 2HG2 ILE 60 HG22 ILE 60 -0.151 -14.023 -1.437
480 3HG2 ILE 60 HG21 ILE 60 0.175 -15.716 -1.804
481 1HD1 ILE 60 HD11 ILE 60 0.750 -12.448 -2.687
482 2HD1 ILE 60 HD13 ILE 60 0.364 -12.027 -1.019
483 3HD1 ILE 60 HD12 ILE 60 1.589 -11.112 -1.897
484 H THR 61 HN THR 61 2.368 -17.225 -3.112
485 HA THR 61 HA THR 61 5.186 -17.239 -4.072
486 HB THR 61 HB THR 61 2.991 -19.268 -4.167
487 HG1 THR 61 HG1 THR 61 4.373 -20.209 -2.934
488 1HG2 THR 61 HG21 THR 61 3.774 -18.941 -6.543
489 2HG2 THR 61 HG23 THR 61 5.407 -19.327 -6.001
490 3HG2 THR 61 HG22 THR 61 4.132 -20.540 -5.891
491 HA PRO 62 HA PRO 62 2.972 -16.503 -8.240
492 1HB PRO 62 HB2 PRO 62 0.160 -16.341 -8.044
493 2HB PRO 62 HB1 PRO 62 1.094 -17.664 -8.748
494 1HG PRO 62 HG2 PRO 62 -0.364 -17.625 -6.231
495 2HG PRO 62 HG1 PRO 62 0.376 -18.996 -7.055
496 1HD PRO 62 HD2 PRO 62 1.348 -17.702 -4.703
497 2HD PRO 62 HD1 PRO 62 2.127 -18.969 -5.654
498 H GLN 63 HN GLN 63 3.624 -14.534 -6.329
499 HA GLN 63 HA GLN 63 1.558 -12.501 -6.213
500 1HB GLN 63 HB2 GLN 63 3.452 -11.145 -5.185
501 2HB GLN 63 HB1 GLN 63 3.001 -12.608 -4.310
502 1HG GLN 63 HG2 GLN 63 5.016 -13.568 -4.670
503 2HG GLN 63 HG1 GLN 63 5.014 -13.113 -6.373
504 1HE2 GLN 63 HE22 GLN 63 7.675 -11.220 -4.377
505 2HE2 GLN 63 HE21 GLN 63 7.260 -12.866 -4.386
506 H HIS 64 HN HIS 64 1.811 -12.955 -8.821
507 HA HIS 64 HA HIS 64 3.918 -11.591 -10.192
508 1HB HIS 64 HB2 HIS 64 2.007 -13.180 -11.086
509 2HB HIS 64 HB1 HIS 64 1.136 -11.664 -11.320
510 HD1 HIS 64 HD1 HIS 64 2.856 -9.742 -12.542
511 HD2 HIS 64 HD2 HIS 64 3.489 -13.788 -13.323
512 HE1 HIS 64 HE1 HIS 64 4.207 -9.857 -14.682
513 H PHE 65 HN PHE 65 4.363 -9.435 -10.067
514 HA PHE 65 HA PHE 65 2.046 -7.560 -9.901
515 1HB PHE 65 HB2 PHE 65 3.327 -6.146 -8.351
516 2HB PHE 65 HB1 PHE 65 3.079 -7.748 -7.672
517 HD1 PHE 65 HD2 PHE 65 5.528 -5.505 -9.294
518 HD2 PHE 65 HD1 PHE 65 4.929 -9.275 -7.331
519 HE1 PHE 65 HE2 PHE 65 7.982 -5.798 -9.109
520 HE2 PHE 65 HE1 PHE 65 7.383 -9.571 -7.149
521 HZ PHE 65 HZ PHE 65 8.910 -7.832 -8.037
522 H SER 66 HN SER 66 3.188 -5.237 -10.032
523 HA SER 66 HA SER 66 5.314 -5.087 -12.061
524 1HB SER 66 HB2 SER 66 3.095 -5.524 -13.263
525 2HB SER 66 HB1 SER 66 2.618 -3.915 -12.723
526 HG SER 66 HG SER 66 5.035 -3.683 -13.734
527 H LEU 67 HN LEU 67 3.666 -3.740 -9.475
528 HA LEU 67 HA LEU 67 3.751 -1.708 -8.377
529 1HB LEU 67 HB2 LEU 67 6.100 -2.000 -8.207
530 2HB LEU 67 HB1 LEU 67 6.335 -1.679 -9.923
531 HG LEU 67 HG LEU 67 5.496 0.678 -9.526
532 1HD1 LEU 67 HD13 LEU 67 5.341 -0.410 -6.741
533 2HD1 LEU 67 HD12 LEU 67 5.826 1.270 -6.952
534 3HD1 LEU 67 HD11 LEU 67 4.270 0.719 -7.571
535 1HD2 LEU 67 HD22 LEU 67 7.987 -0.472 -8.346
536 2HD2 LEU 67 HD21 LEU 67 7.799 0.703 -9.647
537 3HD2 LEU 67 HD23 LEU 67 7.608 1.209 -7.969
538 H PHE 68 HN PHE 68 2.210 -0.326 -8.945
539 HA PHE 68 HA PHE 68 1.679 0.682 -11.542
540 1HB PHE 68 HB2 PHE 68 -0.078 1.115 -10.100
541 2HB PHE 68 HB1 PHE 68 0.975 1.407 -8.732
542 HD1 PHE 68 HD1 PHE 68 0.139 2.910 -12.071
543 HD2 PHE 68 HD2 PHE 68 1.190 3.580 -7.961
544 HE1 PHE 68 HE1 PHE 68 -0.067 5.357 -12.413
545 HE2 PHE 68 HE2 PHE 68 0.984 6.023 -8.307
546 HZ PHE 68 HZ PHE 68 0.361 6.902 -10.524
547 H GLU 69 HN GLU 69 2.830 2.677 -8.884
548 HA GLU 69 HA GLU 69 5.172 3.613 -10.391
549 1HB GLU 69 HB2 GLU 69 2.686 5.041 -10.516
550 2HB GLU 69 HB1 GLU 69 3.847 6.003 -9.599
551 1HG GLU 69 HG2 GLU 69 5.488 5.795 -11.403
552 2HG GLU 69 HG1 GLU 69 4.383 4.765 -12.314
553 H LYS 70 HN LYS 70 5.836 5.830 -8.906
554 HA LYS 70 HA LYS 70 5.527 5.106 -6.043
555 1HB LYS 70 HB2 LYS 70 7.607 3.985 -7.147
556 2HB LYS 70 HB1 LYS 70 8.287 5.613 -7.143
557 1HG LYS 70 HG2 LYS 70 7.423 5.550 -4.610
558 2HG LYS 70 HG1 LYS 70 7.652 3.817 -4.845
559 1HD LYS 70 HD2 LYS 70 9.733 5.985 -5.253
560 2HD LYS 70 HD1 LYS 70 9.720 4.768 -3.979
561 1HE LYS 70 HE2 LYS 70 10.376 3.068 -5.401
562 2HE LYS 70 HE1 LYS 70 9.614 3.813 -6.807
563 1HZ LYS 70 HZ3 LYS 70 12.013 4.921 -5.465
564 2HZ LYS 70 HZ2 LYS 70 12.085 3.882 -6.807
565 3HZ LYS 70 HZ1 LYS 70 11.347 5.406 -6.947
566 H LEU 71 HN LEU 71 5.198 6.977 -4.896
567 HA LEU 71 HA LEU 71 6.140 9.523 -6.153
568 1HB LEU 71 HB2 LEU 71 4.343 10.547 -4.597
569 2HB LEU 71 HB1 LEU 71 3.790 9.681 -6.025
570 HG LEU 71 HG LEU 71 3.439 7.651 -4.649
571 1HD1 LEU 71 HD13 LEU 71 4.597 9.456 -2.548
572 2HD1 LEU 71 HD12 LEU 71 3.426 8.224 -2.078
573 3HD1 LEU 71 HD11 LEU 71 4.933 7.754 -2.863
574 1HD2 LEU 71 HD21 LEU 71 1.798 9.778 -4.853
575 2HD2 LEU 71 HD23 LEU 71 1.369 8.353 -3.906
576 3HD2 LEU 71 HD22 LEU 71 2.029 9.779 -3.104
577 H GLU 72 HN GLU 72 5.975 11.220 -4.014
578 HA GLU 72 HA GLU 72 7.483 9.991 -1.783
579 1HB GLU 72 HB2 GLU 72 9.290 11.659 -1.940
580 2HB GLU 72 HB1 GLU 72 9.213 10.690 -3.411
581 1HG GLU 72 HG2 GLU 72 7.591 12.612 -4.221
582 2HG GLU 72 HG1 GLU 72 8.429 13.551 -2.985
583 H TYR 73 HN TYR 73 7.130 11.083 0.156
584 HA TYR 73 HA TYR 73 5.572 13.622 -0.026
585 1HB TYR 73 HB2 TYR 73 4.718 11.075 0.965
586 2HB TYR 73 HB1 TYR 73 4.829 12.192 2.324
587 HD1 TYR 73 HD1 TYR 73 4.283 14.765 0.815
588 HD2 TYR 73 HD2 TYR 73 2.346 10.930 0.711
589 HE1 TYR 73 HE1 TYR 73 2.177 15.849 0.084
590 HE2 TYR 73 HE2 TYR 73 0.240 12.016 -0.021
591 HH TYR 73 HH TYR 73 -0.721 14.564 0.308
592 H GLU 74 HN GLU 74 5.562 14.748 2.173
593 HA GLU 74 HA GLU 74 7.770 14.169 4.000
594 1HB GLU 74 HB2 GLU 74 8.544 15.536 1.786
595 2HB GLU 74 HB1 GLU 74 8.008 16.878 2.798
596 1HG GLU 74 HG2 GLU 74 9.416 15.651 4.658
597 2HG GLU 74 HG1 GLU 74 10.227 14.915 3.275
598 H PHE 75 HN PHE 75 6.709 14.540 5.876
599 HA PHE 75 HA PHE 75 4.512 16.454 6.007
600 1HB PHE 75 HB2 PHE 75 5.565 14.276 7.617
601 2HB PHE 75 HB1 PHE 75 5.196 15.680 8.616
602 HD1 PHE 75 HD2 PHE 75 3.658 14.207 5.523
603 HD2 PHE 75 HD1 PHE 75 3.071 15.481 9.583
604 HE1 PHE 75 HE2 PHE 75 1.238 13.697 5.331
605 HE2 PHE 75 HE1 PHE 75 0.651 14.971 9.392
606 HZ PHE 75 HZ PHE 75 -0.265 14.081 7.267
607 HA PRO 76 HA PRO 76 6.486 19.997 7.600
608 1HB PRO 76 HB2 PRO 76 5.272 20.185 10.185
609 2HB PRO 76 HB1 PRO 76 4.791 21.016 8.701
610 1HG PRO 76 HG2 PRO 76 3.435 18.835 10.030
611 2HG PRO 76 HG1 PRO 76 2.932 19.707 8.576
612 1HD PRO 76 HD2 PRO 76 3.977 17.031 8.750
613 2HD PRO 76 HD1 PRO 76 3.488 17.913 7.290
614 H ASP 77 HN ASP 77 7.154 17.060 9.054
615 HA ASP 77 HA ASP 77 9.370 18.286 10.529
616 1HB ASP 77 HB2 ASP 77 7.065 17.273 11.814
617 2HB ASP 77 HB1 ASP 77 8.374 16.132 12.126
618 H ARG 78 HN ARG 78 8.052 15.472 8.934
619 HA ARG 78 HA ARG 78 10.766 14.278 9.051
620 1HB ARG 78 HB2 ARG 78 9.290 12.099 8.859
621 2HB ARG 78 HB1 ARG 78 9.632 12.818 10.423
622 1HG ARG 78 HG2 ARG 78 7.469 14.112 10.179
623 2HG ARG 78 HG1 ARG 78 7.121 13.115 8.766
624 1HD ARG 78 HD2 ARG 78 6.550 11.339 10.038
625 2HD ARG 78 HD1 ARG 78 7.955 11.533 11.083
626 HE ARG 78 HE ARG 78 6.245 13.610 11.814
627 1HH1 ARG 78 HH11 ARG 78 5.373 10.398 11.067
628 2HH1 ARG 78 HH12 ARG 78 4.509 10.133 12.542
629 1HH2 ARG 78 HH21 ARG 78 5.415 13.167 13.942
630 2HH2 ARG 78 HH22 ARG 78 4.531 11.695 14.165
631 H HIS 79 HN HIS 79 10.759 12.359 7.355
632 HA HIS 79 HA HIS 79 9.571 13.394 4.809
633 1HB HIS 79 HB2 HIS 79 12.028 11.672 4.810
634 2HB HIS 79 HB1 HIS 79 11.548 12.931 3.672
635 HD1 HIS 79 HD1 HIS 79 14.262 12.578 5.596
636 HD2 HIS 79 HD2 HIS 79 11.214 15.410 5.844
637 HE1 HIS 79 HE1 HIS 79 15.228 14.560 6.844
638 H ILE 80 HN ILE 80 8.375 11.882 3.656
639 HA ILE 80 HA ILE 80 8.681 9.019 4.359
640 HB ILE 80 HB ILE 80 6.100 10.580 4.621
641 1HG1 ILE 80 HG12 ILE 80 7.774 10.556 6.533
642 2HG1 ILE 80 HG11 ILE 80 6.188 9.895 6.927
643 1HG2 ILE 80 HG21 ILE 80 6.593 7.783 3.950
644 2HG2 ILE 80 HG23 ILE 80 5.683 7.947 5.453
645 3HG2 ILE 80 HG22 ILE 80 5.072 8.676 3.969
646 1HD1 ILE 80 HD11 ILE 80 7.081 7.606 6.440
647 2HD1 ILE 80 HD13 ILE 80 8.678 8.320 6.221
648 3HD1 ILE 80 HD12 ILE 80 7.888 8.393 7.797
649 H THR 81 HN THR 81 9.121 8.213 2.364
650 HA THR 81 HA THR 81 7.493 9.156 0.045
651 HB THR 81 HB THR 81 10.136 7.702 0.287
652 HG1 THR 81 HG1 THR 81 9.782 9.759 -1.488
653 1HG2 THR 81 HG22 THR 81 8.123 7.458 -1.816
654 2HG2 THR 81 HG21 THR 81 9.664 8.063 -2.428
655 3HG2 THR 81 HG23 THR 81 9.599 6.527 -1.563
656 H LEU 82 HN LEU 82 5.617 7.928 0.031
657 HA LEU 82 HA LEU 82 5.643 5.162 0.960
658 1HB LEU 82 HB2 LEU 82 3.659 7.184 0.259
659 2HB LEU 82 HB1 LEU 82 3.231 5.594 -0.368
660 HG LEU 82 HG LEU 82 4.268 5.428 2.347
661 1HD1 LEU 82 HD12 LEU 82 2.169 7.446 1.710
662 2HD1 LEU 82 HD11 LEU 82 1.885 6.415 3.112
663 3HD1 LEU 82 HD13 LEU 82 3.335 7.415 3.033
664 1HD2 LEU 82 HD21 LEU 82 2.261 4.259 0.626
665 2HD2 LEU 82 HD23 LEU 82 2.967 3.605 2.104
666 3HD2 LEU 82 HD22 LEU 82 1.553 4.656 2.192
667 H TRP 83 HN TRP 83 5.875 3.358 -0.273
668 HA TRP 83 HA TRP 83 5.848 3.678 -3.235
669 1HB TRP 83 HB2 TRP 83 8.044 3.174 -2.942
670 2HB TRP 83 HB1 TRP 83 7.800 2.593 -1.316
671 HD1 TRP 83 HD1 TRP 83 6.735 0.085 -1.120
672 HE1 TRP 83 HE1 TRP 83 7.243 -2.003 -2.562
673 HE3 TRP 83 HE3 TRP 83 8.708 2.331 -5.242
674 HZ2 TRP 83 HZ2 TRP 83 8.352 -2.619 -5.129
675 HZ3 TRP 83 HZ3 TRP 83 9.489 0.983 -7.168
676 HH2 TRP 83 HH2 TRP 83 9.310 -1.490 -7.118
677 H PHE 84 HN PHE 84 4.226 2.406 -4.170
678 HA PHE 84 HA PHE 84 3.414 0.003 -2.619
679 1HB PHE 84 HB2 PHE 84 1.219 0.682 -4.179
680 2HB PHE 84 HB1 PHE 84 1.354 0.883 -2.438
681 HD1 PHE 84 HD2 PHE 84 2.990 3.109 -1.905
682 HD2 PHE 84 HD1 PHE 84 0.400 2.509 -5.275
683 HE1 PHE 84 HE2 PHE 84 2.821 5.561 -2.208
684 HE2 PHE 84 HE1 PHE 84 0.224 4.952 -5.575
685 HZ PHE 84 HZ PHE 84 1.436 6.488 -4.049
686 H TRP 85 HN TRP 85 3.809 -1.783 -3.652
687 HA TRP 85 HA TRP 85 4.071 -1.699 -6.609
688 1HB TRP 85 HB2 TRP 85 5.257 -3.845 -6.392
689 2HB TRP 85 HB1 TRP 85 5.999 -2.629 -5.356
690 HD1 TRP 85 HD1 TRP 85 5.066 -2.698 -2.690
691 HE1 TRP 85 HE1 TRP 85 4.609 -4.778 -1.241
692 HE3 TRP 85 HE3 TRP 85 4.642 -6.237 -6.340
693 HZ2 TRP 85 HZ2 TRP 85 4.132 -7.576 -1.585
694 HZ3 TRP 85 HZ3 TRP 85 4.193 -8.602 -5.752
695 HH2 TRP 85 HH2 TRP 85 3.940 -9.276 -3.379
696 H LEU 86 HN LEU 86 1.824 -1.721 -7.061
697 HA LEU 86 HA LEU 86 -0.099 -3.431 -5.957
698 1HB LEU 86 HB2 LEU 86 0.222 -2.013 -8.574
699 2HB LEU 86 HB1 LEU 86 -1.100 -3.149 -8.374
700 HG LEU 86 HG LEU 86 -1.956 -1.009 -7.746
701 1HD1 LEU 86 HD12 LEU 86 -2.245 -3.070 -6.156
702 2HD1 LEU 86 HD11 LEU 86 -1.232 -2.124 -5.066
703 3HD1 LEU 86 HD13 LEU 86 -2.776 -1.475 -5.621
704 1HD2 LEU 86 HD23 LEU 86 0.280 0.055 -7.452
705 2HD2 LEU 86 HD22 LEU 86 -0.831 0.445 -6.139
706 3HD2 LEU 86 HD21 LEU 86 0.431 -0.763 -5.898
707 H VAL 87 HN VAL 87 -0.482 -5.571 -6.143
708 HA VAL 87 HA VAL 87 1.159 -7.084 -8.099
709 HB VAL 87 HB VAL 87 0.901 -8.929 -6.643
710 1HG1 VAL 87 HG12 VAL 87 2.310 -6.886 -5.883
711 2HG1 VAL 87 HG11 VAL 87 1.040 -6.663 -4.682
712 3HG1 VAL 87 HG13 VAL 87 1.978 -8.155 -4.705
713 1HG2 VAL 87 HG23 VAL 87 -1.584 -7.675 -6.014
714 2HG2 VAL 87 HG22 VAL 87 -1.045 -9.299 -5.587
715 3HG2 VAL 87 HG21 VAL 87 -0.695 -7.943 -4.517
716 H GLU 88 HN GLU 88 -0.312 -9.370 -8.419
717 HA GLU 88 HA GLU 88 -3.020 -8.469 -9.273
718 1HB GLU 88 HB2 GLU 88 -0.780 -9.185 -11.005
719 2HB GLU 88 HB1 GLU 88 -2.213 -10.164 -11.320
720 1HG GLU 88 HG2 GLU 88 -3.407 -7.774 -11.113
721 2HG GLU 88 HG1 GLU 88 -1.816 -7.227 -11.643
722 H ARG 89 HN ARG 89 -0.829 -11.188 -8.617
723 HA ARG 89 HA ARG 89 -3.209 -12.769 -7.799
724 1HB ARG 89 HB2 ARG 89 -1.033 -13.806 -9.635
725 2HB ARG 89 HB1 ARG 89 -2.349 -14.768 -8.965
726 1HG ARG 89 HG2 ARG 89 -3.744 -14.090 -10.593
727 2HG ARG 89 HG1 ARG 89 -3.410 -12.397 -10.229
728 1HD ARG 89 HD2 ARG 89 -2.555 -12.467 -12.365
729 2HD ARG 89 HD1 ARG 89 -1.118 -12.984 -11.484
730 HE ARG 89 HE ARG 89 -2.179 -14.550 -13.448
731 1HH1 ARG 89 HH11 ARG 89 -4.072 -16.080 -12.176
732 2HH1 ARG 89 HH12 ARG 89 -3.225 -17.249 -11.219
733 1HH2 ARG 89 HH21 ARG 89 -0.224 -15.515 -11.277
734 2HH2 ARG 89 HH22 ARG 89 -1.048 -16.929 -10.712
735 H TRP 90 HN TRP 90 -2.278 -14.974 -6.815
736 HA TRP 90 HA TRP 90 0.288 -15.249 -5.780
737 1HB TRP 90 HB2 TRP 90 0.235 -14.379 -3.542
738 2HB TRP 90 HB1 TRP 90 -0.061 -13.067 -4.650
739 HD1 TRP 90 HD1 TRP 90 -1.710 -15.197 -1.994
740 HE1 TRP 90 HE1 TRP 90 -3.978 -14.155 -1.343
741 HE3 TRP 90 HE3 TRP 90 -2.069 -11.589 -5.579
742 HZ2 TRP 90 HZ2 TRP 90 -5.717 -12.062 -2.240
743 HZ3 TRP 90 HZ3 TRP 90 -4.030 -10.097 -5.659
744 HH2 TRP 90 HH2 TRP 90 -5.850 -10.315 -3.996
745 H GLU 91 HN GLU 91 0.376 -16.551 -3.825
746 HA GLU 91 HA GLU 91 -2.061 -18.224 -3.441
747 1HB GLU 91 HB2 GLU 91 -0.102 -19.203 -4.829
748 2HB GLU 91 HB1 GLU 91 0.747 -19.303 -3.287
749 1HG GLU 91 HG2 GLU 91 -1.420 -20.442 -2.436
750 2HG GLU 91 HG1 GLU 91 -1.772 -20.692 -4.145
751 H GLY 92 HN GLY 92 -2.639 -17.382 -1.419
752 1HA GLY 92 HA2 GLY 92 -1.997 -18.196 0.974
753 2HA GLY 92 HA1 GLY 92 -0.508 -17.309 0.665
754 H GLU 93 HN GLU 93 -1.388 -16.139 2.681
755 HA GLU 93 HA GLU 93 -3.467 -14.141 1.993
756 1HB GLU 93 HB2 GLU 93 -2.317 -15.285 4.497
757 2HB GLU 93 HB1 GLU 93 -2.857 -13.614 4.556
758 1HG GLU 93 HG2 GLU 93 -4.804 -15.218 3.156
759 2HG GLU 93 HG1 GLU 93 -4.462 -15.929 4.734
760 HA PRO 94 HA PRO 94 0.171 -11.739 0.831
761 1HB PRO 94 HB2 PRO 94 -1.592 -9.521 0.361
762 2HB PRO 94 HB1 PRO 94 -0.755 -10.535 -0.823
763 1HG PRO 94 HG2 PRO 94 -3.566 -10.548 -0.158
764 2HG PRO 94 HG1 PRO 94 -2.723 -11.517 -1.370
765 1HD PRO 94 HD2 PRO 94 -3.804 -12.427 1.117
766 2HD PRO 94 HD1 PRO 94 -2.849 -13.366 -0.047
767 H TRP 95 HN TRP 95 0.755 -9.361 1.352
768 HA TRP 95 HA TRP 95 -0.015 -8.709 4.174
769 1HB TRP 95 HB2 TRP 95 2.355 -7.809 4.386
770 2HB TRP 95 HB1 TRP 95 2.239 -9.550 4.276
771 HD1 TRP 95 HD1 TRP 95 2.383 -10.437 1.523
772 HE1 TRP 95 HE1 TRP 95 4.110 -9.683 -0.226
773 HE3 TRP 95 HE3 TRP 95 3.946 -6.060 3.652
774 HZ2 TRP 95 HZ2 TRP 95 5.918 -7.525 -0.668
775 HZ3 TRP 95 HZ3 TRP 95 5.682 -4.681 2.533
776 HH2 TRP 95 HH2 TRP 95 6.659 -5.415 0.386
777 H GLY 96 HN GLY 96 1.324 -6.357 4.432
778 1HA GLY 96 HA2 GLY 96 1.271 -4.535 2.300
779 2HA GLY 96 HA1 GLY 96 -0.320 -4.492 3.041
780 H LYS 97 HN LYS 97 0.718 -5.149 5.673
781 HA LYS 97 HA LYS 97 2.231 -2.682 6.354
782 1HB LYS 97 HB2 LYS 97 -0.343 -2.871 6.958
783 2HB LYS 97 HB1 LYS 97 0.264 -3.883 8.273
784 1HG LYS 97 HG2 LYS 97 2.009 -1.779 8.331
785 2HG LYS 97 HG1 LYS 97 0.503 -0.985 7.881
786 1HD LYS 97 HD2 LYS 97 -0.504 -1.450 9.891
787 2HD LYS 97 HD1 LYS 97 0.329 -2.996 10.061
788 1HE LYS 97 HE2 LYS 97 1.564 -1.901 11.624
789 2HE LYS 97 HE1 LYS 97 2.426 -1.252 10.229
790 1HZ LYS 97 HZ2 LYS 97 0.242 0.353 10.448
791 2HZ LYS 97 HZ1 LYS 97 0.674 0.073 12.067
792 3HZ LYS 97 HZ3 LYS 97 1.808 0.729 10.991
793 H GLU 98 HN GLU 98 2.060 -3.667 9.226
794 HA GLU 98 HA GLU 98 4.094 -5.842 8.970
795 1HB GLU 98 HB2 GLU 98 3.814 -3.889 11.270
796 2HB GLU 98 HB1 GLU 98 5.163 -4.977 10.941
797 1HG GLU 98 HG2 GLU 98 5.754 -3.743 8.943
798 2HG GLU 98 HG1 GLU 98 4.308 -2.742 9.081
799 H GLY 99 HN GLY 99 1.274 -6.333 9.049
800 1HA GLY 99 HA2 GLY 99 0.263 -8.254 10.183
801 2HA GLY 99 HA1 GLY 99 1.107 -7.772 11.656
802 H GLN 100 HN GLN 100 -1.049 -6.094 9.333
803 HA GLN 100 HA GLN 100 -2.631 -5.171 11.698
804 1HB GLN 100 HB2 GLN 100 -1.336 -3.679 9.622
805 2HB GLN 100 HB1 GLN 100 -3.078 -3.464 9.469
806 1HG GLN 100 HG2 GLN 100 -2.753 -3.271 12.180
807 2HG GLN 100 HG1 GLN 100 -1.253 -2.548 11.598
808 1HE2 GLN 100 HE22 GLN 100 -3.591 -0.319 9.499
809 2HE2 GLN 100 HE21 GLN 100 -2.697 -1.685 9.035
810 HA PRO 101 HA PRO 101 -6.155 -7.078 9.939
811 1HB PRO 101 HB2 PRO 101 -8.002 -5.081 10.760
812 2HB PRO 101 HB1 PRO 101 -7.560 -6.547 11.647
813 1HG PRO 101 HG2 PRO 101 -6.835 -3.788 12.242
814 2HG PRO 101 HG1 PRO 101 -6.549 -5.237 13.216
815 1HD PRO 101 HD2 PRO 101 -4.620 -3.749 11.703
816 2HD PRO 101 HD1 PRO 101 -4.355 -5.254 12.608
817 H GLY 102 HN GLY 102 -5.895 -6.805 7.664
818 1HA GLY 102 HA2 GLY 102 -6.454 -4.201 6.435
819 2HA GLY 102 HA1 GLY 102 -6.058 -5.684 5.570
820 H GLU 103 HN GLU 103 -7.993 -4.743 4.234
821 HA GLU 103 HA GLU 103 -10.404 -6.180 5.166
822 1HB GLU 103 HB2 GLU 103 -11.814 -4.159 4.519
823 2HB GLU 103 HB1 GLU 103 -10.886 -3.988 6.009
824 1HG GLU 103 HG2 GLU 103 -9.057 -3.067 4.252
825 2HG GLU 103 HG1 GLU 103 -10.532 -2.625 3.390
826 H TRP 104 HN TRP 104 -11.098 -7.376 3.474
827 HA TRP 104 HA TRP 104 -10.050 -6.894 0.794
828 1HB TRP 104 HB2 TRP 104 -12.266 -8.811 1.547
829 2HB TRP 104 HB1 TRP 104 -11.161 -8.920 0.177
830 HD1 TRP 104 HD1 TRP 104 -11.385 -9.538 3.919
831 HE1 TRP 104 HE1 TRP 104 -9.306 -10.860 4.681
832 HE3 TRP 104 HE3 TRP 104 -8.618 -9.380 -0.372
833 HZ2 TRP 104 HZ2 TRP 104 -6.801 -11.734 3.611
834 HZ3 TRP 104 HZ3 TRP 104 -6.391 -10.465 -0.472
835 HH2 TRP 104 HH2 TRP 104 -5.480 -11.640 1.512
836 H MET 105 HN MET 105 -10.958 -4.755 0.407
837 HA MET 105 HA MET 105 -13.865 -4.429 0.357
838 1HB MET 105 HB2 MET 105 -12.609 -2.462 0.878
839 2HB MET 105 HB1 MET 105 -11.546 -2.689 -0.511
840 1HG MET 105 HG2 MET 105 -13.332 -2.192 -2.051
841 2HG MET 105 HG1 MET 105 -14.524 -2.201 -0.753
842 1HE MET 105 HE2 MET 105 -11.020 -0.783 -1.546
843 2HE MET 105 HE1 MET 105 -10.980 0.702 -0.600
844 3HE MET 105 HE3 MET 105 -11.084 -0.865 0.214
845 H SER 106 HN SER 106 -15.136 -4.239 -1.554
846 HA SER 106 HA SER 106 -14.478 -6.004 -3.679
847 1HB SER 106 HB2 SER 106 -16.747 -4.699 -2.905
848 2HB SER 106 HB1 SER 106 -16.320 -3.789 -4.352
849 HG SER 106 HG SER 106 -17.133 -5.416 -5.392
850 H LEU 107 HN LEU 107 -14.135 -5.431 -5.965
851 HA LEU 107 HA LEU 107 -12.705 -2.838 -6.328
852 1HB LEU 107 HB2 LEU 107 -11.097 -4.741 -6.038
853 2HB LEU 107 HB1 LEU 107 -11.824 -5.526 -7.435
854 HG LEU 107 HG LEU 107 -9.653 -3.972 -7.651
855 1HD1 LEU 107 HD11 LEU 107 -11.499 -5.099 -9.381
856 2HD1 LEU 107 HD13 LEU 107 -11.463 -3.407 -9.878
857 3HD1 LEU 107 HD12 LEU 107 -9.973 -4.350 -9.850
858 1HD2 LEU 107 HD23 LEU 107 -11.082 -2.015 -6.726
859 2HD2 LEU 107 HD22 LEU 107 -10.107 -1.709 -8.163
860 3HD2 LEU 107 HD21 LEU 107 -11.840 -2.000 -8.319
861 H VAL 108 HN VAL 108 -15.000 -2.436 -7.167
862 HA VAL 108 HA VAL 108 -15.408 -3.597 -9.883
863 HB VAL 108 HB VAL 108 -17.291 -2.022 -8.099
864 1HG1 VAL 108 HG11 VAL 108 -17.734 -3.384 -10.773
865 2HG1 VAL 108 HG13 VAL 108 -19.008 -2.695 -9.767
866 3HG1 VAL 108 HG12 VAL 108 -17.776 -1.647 -10.474
867 1HG2 VAL 108 HG21 VAL 108 -16.528 -4.787 -8.169
868 2HG2 VAL 108 HG23 VAL 108 -17.739 -4.013 -7.146
869 3HG2 VAL 108 HG22 VAL 108 -18.197 -4.654 -8.725
870 H GLY 109 HN GLY 109 -15.282 -0.467 -8.175
871 1HA GLY 109 HA2 GLY 109 -14.443 0.769 -10.749
872 2HA GLY 109 HA1 GLY 109 -15.772 1.505 -9.848
873 H LEU 110 HN LEU 110 -12.648 0.094 -8.823
874 HA LEU 110 HA LEU 110 -12.124 1.669 -6.639
875 1HB LEU 110 HB2 LEU 110 -10.581 0.073 -8.441
876 2HB LEU 110 HB1 LEU 110 -9.694 1.561 -8.118
877 HG LEU 110 HG LEU 110 -10.846 -0.299 -6.025
878 1HD1 LEU 110 HD11 LEU 110 -8.140 0.077 -7.243
879 2HD1 LEU 110 HD13 LEU 110 -8.227 -0.286 -5.519
880 3HD1 LEU 110 HD12 LEU 110 -8.924 -1.404 -6.692
881 1HD2 LEU 110 HD23 LEU 110 -9.885 2.476 -5.959
882 2HD2 LEU 110 HD22 LEU 110 -10.808 1.581 -4.753
883 3HD2 LEU 110 HD21 LEU 110 -9.052 1.429 -4.809
884 H ASN 111 HN ASN 111 -11.397 3.747 -6.265
885 HA ASN 111 HA ASN 111 -10.531 5.468 -8.470
886 1HB ASN 111 HB2 ASN 111 -13.247 5.351 -8.006
887 2HB ASN 111 HB1 ASN 111 -12.754 6.716 -7.005
888 1HD2 ASN 111 HD22 ASN 111 -12.797 8.765 -9.872
889 2HD2 ASN 111 HD21 ASN 111 -13.288 8.536 -8.263
890 H ALA 112 HN ALA 112 -10.575 7.896 -7.326
891 HA ALA 112 HA ALA 112 -8.741 7.574 -5.067
892 1HB ALA 112 HB1 ALA 112 -8.517 9.309 -6.912
893 2HB ALA 112 HB3 ALA 112 -9.872 10.157 -6.168
894 3HB ALA 112 HB2 ALA 112 -8.372 9.934 -5.270
895 H ASP 113 HN ASP 113 -12.123 7.868 -5.384
896 HA ASP 113 HA ASP 113 -12.722 9.504 -3.135
897 1HB ASP 113 HB2 ASP 113 -14.920 8.148 -3.246
898 2HB ASP 113 HB1 ASP 113 -14.506 9.166 -4.615
899 H ASP 114 HN ASP 114 -12.155 5.995 -3.438
900 HA ASP 114 HA ASP 114 -12.644 5.705 -0.531
901 1HB ASP 114 HB2 ASP 114 -12.825 3.952 -2.838
902 2HB ASP 114 HB1 ASP 114 -11.813 3.240 -1.586
903 H PHE 115 HN PHE 115 -10.265 7.122 -1.699
904 HA PHE 115 HA PHE 115 -8.249 5.609 -0.146
905 1HB PHE 115 HB2 PHE 115 -8.221 5.911 -3.067
906 2HB PHE 115 HB1 PHE 115 -6.737 6.468 -2.291
907 HD1 PHE 115 HD2 PHE 115 -6.266 4.769 -0.054
908 HD2 PHE 115 HD1 PHE 115 -7.979 3.739 -3.856
909 HE1 PHE 115 HE2 PHE 115 -5.574 2.410 0.264
910 HE2 PHE 115 HE1 PHE 115 -7.287 1.383 -3.534
911 HZ PHE 115 HZ PHE 115 -6.087 0.719 -1.471
912 HA PRO 116 HA PRO 116 -7.814 10.037 0.641
913 1HB PRO 116 HB2 PRO 116 -8.312 9.811 3.338
914 2HB PRO 116 HB1 PRO 116 -9.585 9.980 2.119
915 1HG PRO 116 HG2 PRO 116 -8.906 7.636 3.754
916 2HG PRO 116 HG1 PRO 116 -10.325 7.897 2.730
917 1HD PRO 116 HD2 PRO 116 -7.890 6.373 2.125
918 2HD PRO 116 HD1 PRO 116 -9.426 6.422 1.228
919 HA PRO 117 HA PRO 117 -3.972 8.486 3.119
920 1HB PRO 117 HB2 PRO 117 -2.234 7.978 0.985
921 2HB PRO 117 HB1 PRO 117 -3.058 6.743 1.952
922 1HG PRO 117 HG2 PRO 117 -3.624 7.594 -0.812
923 2HG PRO 117 HG1 PRO 117 -4.164 6.152 0.038
924 1HD PRO 117 HD2 PRO 117 -5.719 8.409 -0.556
925 2HD PRO 117 HD1 PRO 117 -6.147 7.032 0.481
926 H ALA 118 HN ALA 118 -4.894 10.689 0.770
927 HA ALA 118 HA ALA 118 -4.205 12.940 0.491
928 1HB ALA 118 HB1 ALA 118 -2.934 12.305 2.834
929 2HB ALA 118 HB3 ALA 118 -1.559 12.601 1.770
930 3HB ALA 118 HB2 ALA 118 -2.773 13.858 2.015
931 H ASN 119 HN ASN 119 -3.471 10.467 -1.065
932 HA ASN 119 HA ASN 119 -0.984 11.376 -2.392
933 1HB ASN 119 HB2 ASN 119 -2.450 8.752 -2.172
934 2HB ASN 119 HB1 ASN 119 -1.266 9.027 -3.436
935 1HD2 ASN 119 HD22 ASN 119 1.335 9.624 -0.808
936 2HD2 ASN 119 HD21 ASN 119 0.671 10.555 -2.064
937 H GLU 120 HN GLU 120 -3.384 12.803 -2.839
938 HA GLU 120 HA GLU 120 -5.058 12.034 -4.910
939 1HB GLU 120 HB2 GLU 120 -3.833 14.771 -4.490
940 2HB GLU 120 HB1 GLU 120 -5.233 14.438 -5.506
941 1HG GLU 120 HG2 GLU 120 -5.835 13.182 -3.087
942 2HG GLU 120 HG1 GLU 120 -5.080 14.703 -2.608
943 HA PRO 121 HA PRO 121 -1.774 13.621 -8.136
944 1HB PRO 121 HB2 PRO 121 0.817 12.969 -7.050
945 2HB PRO 121 HB1 PRO 121 0.196 14.549 -7.549
946 1HG PRO 121 HG2 PRO 121 0.661 13.656 -4.876
947 2HG PRO 121 HG1 PRO 121 -0.096 15.173 -5.379
948 1HD PRO 121 HD2 PRO 121 -1.348 12.828 -4.221
949 2HD PRO 121 HD1 PRO 121 -2.074 14.407 -4.554
950 H VAL 122 HN VAL 122 -0.861 10.781 -6.078
951 HA VAL 122 HA VAL 122 -0.144 9.308 -8.523
952 HB VAL 122 HB VAL 122 0.226 9.003 -5.588
953 1HG1 VAL 122 HG13 VAL 122 -0.483 6.755 -7.384
954 2HG1 VAL 122 HG12 VAL 122 0.900 6.511 -6.316
955 3HG1 VAL 122 HG11 VAL 122 -0.679 6.913 -5.638
956 1HG2 VAL 122 HG23 VAL 122 1.816 8.516 -8.108
957 2HG2 VAL 122 HG22 VAL 122 2.102 9.721 -6.852
958 3HG2 VAL 122 HG21 VAL 122 2.404 8.016 -6.523
959 H ILE 123 HN ILE 123 -2.365 8.916 -5.776
960 HA ILE 123 HA ILE 123 -3.955 6.812 -6.597
961 HB ILE 123 HB ILE 123 -4.864 9.453 -5.421
962 1HG1 ILE 123 HG12 ILE 123 -3.009 8.073 -4.265
963 2HG1 ILE 123 HG11 ILE 123 -4.411 8.521 -3.295
964 1HG2 ILE 123 HG21 ILE 123 -6.272 7.021 -6.175
965 2HG2 ILE 123 HG23 ILE 123 -6.449 7.377 -4.457
966 3HG2 ILE 123 HG22 ILE 123 -6.921 8.577 -5.659
967 1HD1 ILE 123 HD11 ILE 123 -4.107 5.870 -4.736
968 2HD1 ILE 123 HD13 ILE 123 -3.764 6.116 -3.024
969 3HD1 ILE 123 HD12 ILE 123 -5.406 6.322 -3.632
970 H ALA 124 HN ALA 124 -3.881 10.123 -7.812
971 HA ALA 124 HA ALA 124 -6.237 10.162 -9.353
972 1HB ALA 124 HB1 ALA 124 -4.689 12.098 -9.104
973 2HB ALA 124 HB3 ALA 124 -3.535 11.283 -10.159
974 3HB ALA 124 HB2 ALA 124 -5.102 11.791 -10.791
975 H LYS 125 HN LYS 125 -2.996 9.082 -10.372
976 HA LYS 125 HA LYS 125 -3.823 8.093 -12.919
977 1HB LYS 125 HB2 LYS 125 -1.444 7.758 -11.159
978 2HB LYS 125 HB1 LYS 125 -1.680 6.552 -12.425
979 1HG LYS 125 HG2 LYS 125 -0.642 8.051 -13.777
980 2HG LYS 125 HG1 LYS 125 -2.190 8.897 -13.770
981 1HD LYS 125 HD2 LYS 125 -1.208 9.900 -11.496
982 2HD LYS 125 HD1 LYS 125 0.325 9.531 -12.288
983 1HE LYS 125 HE2 LYS 125 -1.899 11.308 -13.317
984 2HE LYS 125 HE1 LYS 125 -0.245 11.775 -12.919
985 1HZ LYS 125 HZ2 LYS 125 0.018 9.741 -14.730
986 2HZ LYS 125 HZ1 LYS 125 -1.275 10.664 -15.332
987 3HZ LYS 125 HZ3 LYS 125 0.226 11.398 -15.041
988 H LEU 126 HN LEU 126 -3.498 6.467 -9.751
989 HA LEU 126 HA LEU 126 -4.167 3.855 -10.681
990 1HB LEU 126 HB2 LEU 126 -4.679 5.028 -7.951
991 2HB LEU 126 HB1 LEU 126 -4.447 3.342 -8.361
992 HG LEU 126 HG LEU 126 -2.267 5.106 -9.244
993 1HD1 LEU 126 HD12 LEU 126 -3.134 4.940 -6.399
994 2HD1 LEU 126 HD11 LEU 126 -1.408 4.774 -6.721
995 3HD1 LEU 126 HD13 LEU 126 -2.265 6.226 -7.237
996 1HD2 LEU 126 HD23 LEU 126 -2.652 2.400 -7.997
997 2HD2 LEU 126 HD22 LEU 126 -1.867 2.820 -9.521
998 3HD2 LEU 126 HD21 LEU 126 -1.054 3.146 -7.989
999 H LYS 127 HN LYS 127 -6.080 6.623 -10.570
1000 HA LYS 127 HA LYS 127 -8.543 5.698 -9.584
1001 1HB LYS 127 HB2 LYS 127 -7.787 7.654 -11.760
1002 2HB LYS 127 HB1 LYS 127 -9.458 7.366 -11.299
1003 1HG LYS 127 HG2 LYS 127 -8.686 7.789 -8.882
1004 2HG LYS 127 HG1 LYS 127 -7.228 8.462 -9.603
1005 1HD LYS 127 HD2 LYS 127 -8.720 9.974 -10.978
1006 2HD LYS 127 HD1 LYS 127 -10.072 9.416 -9.990
1007 1HE LYS 127 HE2 LYS 127 -9.467 10.731 -8.257
1008 2HE LYS 127 HE1 LYS 127 -7.788 10.201 -8.355
1009 1HZ LYS 127 HZ2 LYS 127 -7.701 11.704 -10.410
1010 2HZ LYS 127 HZ1 LYS 127 -9.115 12.412 -9.787
1011 3HZ LYS 127 HZ3 LYS 127 -7.683 12.440 -8.878
1012 H ARG 128 HN ARG 128 -7.223 5.542 -12.903
1013 HA ARG 128 HA ARG 128 -9.356 3.717 -13.708
1014 1HB ARG 128 HB2 ARG 128 -6.980 4.850 -15.205
1015 2HB ARG 128 HB1 ARG 128 -8.294 3.934 -15.915
1016 1HG ARG 128 HG2 ARG 128 -9.759 5.682 -15.821
1017 2HG ARG 128 HG1 ARG 128 -9.117 6.254 -14.281
1018 1HD ARG 128 HD2 ARG 128 -8.386 7.938 -15.712
1019 2HD ARG 128 HD1 ARG 128 -6.996 6.852 -15.734
1020 HE ARG 128 HE ARG 128 -8.581 5.950 -17.823
1021 1HH1 ARG 128 HH21 ARG 128 -8.507 9.211 -17.111
1022 2HH1 ARG 128 HH22 ARG 128 -7.781 9.710 -18.603
1023 1HH2 ARG 128 HH11 ARG 128 -7.089 6.480 -19.655
1024 2HH2 ARG 128 HH12 ARG 128 -6.980 8.166 -20.041
1025 H LEU 129 HN LEU 129 -7.467 2.834 -11.650
1026 HA LEU 129 HA LEU 129 -5.291 1.335 -12.318
1027 1HB LEU 129 HB2 LEU 129 -7.529 0.999 -10.399
1028 2HB LEU 129 HB1 LEU 129 -6.548 -0.423 -10.699
1029 HG LEU 129 HG LEU 129 -5.110 2.144 -10.233
1030 1HD1 LEU 129 HD12 LEU 129 -6.470 0.529 -8.052
1031 2HD1 LEU 129 HD11 LEU 129 -5.250 1.769 -7.765
1032 3HD1 LEU 129 HD13 LEU 129 -6.803 2.209 -8.473
1033 1HD2 LEU 129 HD23 LEU 129 -4.525 -0.647 -10.354
1034 2HD2 LEU 129 HD22 LEU 129 -3.401 0.682 -10.068
1035 3HD2 LEU 129 HD21 LEU 129 -4.195 -0.109 -8.707
No H/Q in entry = 1035
Start of MODEL 6
1 1H MET 1 HT2 MET 1 14.019 14.084 9.058
2 2H MET 1 HT1 MET 1 14.577 15.306 10.097
3 3H MET 1 HT3 MET 1 13.603 15.706 8.768
4 HA MET 1 HA MET 1 15.308 15.756 7.361
5 1HB MET 1 HB2 MET 1 16.273 16.202 10.048
6 2HB MET 1 HB1 MET 1 17.548 15.480 9.062
7 1HG MET 1 HG2 MET 1 15.904 17.741 7.957
8 2HG MET 1 HG1 MET 1 17.245 18.085 9.049
9 1HE MET 1 HE2 MET 1 16.238 18.106 5.675
10 2HE MET 1 HE1 MET 1 17.312 17.122 4.684
11 3HE MET 1 HE3 MET 1 16.123 16.350 5.743
12 H LYS 2 HN LYS 2 17.877 14.618 7.364
13 HA LYS 2 HA LYS 2 18.958 12.634 6.742
14 1HB LYS 2 HB2 LYS 2 17.041 11.646 8.857
15 2HB LYS 2 HB1 LYS 2 18.172 10.564 8.046
16 1HG LYS 2 HG2 LYS 2 19.166 13.131 9.256
17 2HG LYS 2 HG1 LYS 2 18.900 11.721 10.281
18 1HD LYS 2 HD2 LYS 2 20.341 10.390 8.706
19 2HD LYS 2 HD1 LYS 2 20.714 11.893 7.861
20 1HE LYS 2 HE2 LYS 2 21.344 12.748 10.271
21 2HE LYS 2 HE1 LYS 2 21.508 11.028 10.624
22 1HZ LYS 2 HZ3 LYS 2 22.844 12.413 8.364
23 2HZ LYS 2 HZ2 LYS 2 23.587 12.067 9.852
24 3HZ LYS 2 HZ1 LYS 2 23.071 10.802 8.841
25 H LYS 3 HN LYS 3 16.542 10.317 7.142
26 HA LYS 3 HA LYS 3 15.044 10.811 4.710
27 1HB LYS 3 HB2 LYS 3 17.606 9.463 4.518
28 2HB LYS 3 HB1 LYS 3 16.296 8.402 3.997
29 1HG LYS 3 HG2 LYS 3 15.512 10.030 2.401
30 2HG LYS 3 HG1 LYS 3 16.616 11.254 3.029
31 1HD LYS 3 HD2 LYS 3 18.023 8.815 2.269
32 2HD LYS 3 HD1 LYS 3 17.133 9.510 0.915
33 1HE LYS 3 HE2 LYS 3 18.226 11.642 1.194
34 2HE LYS 3 HE1 LYS 3 18.971 11.119 2.705
35 1HZ LYS 3 HZ1 LYS 3 20.154 9.398 1.443
36 2HZ LYS 3 HZ3 LYS 3 19.493 10.004 0.003
37 3HZ LYS 3 HZ2 LYS 3 20.553 10.965 0.919
38 H LEU 4 HN LEU 4 13.322 9.327 4.493
39 HA LEU 4 HA LEU 4 13.250 6.934 6.206
40 1HB LEU 4 HB2 LEU 4 11.290 7.600 7.461
41 2HB LEU 4 HB1 LEU 4 12.510 8.858 7.667
42 HG LEU 4 HG LEU 4 11.234 9.738 5.418
43 1HD1 LEU 4 HD12 LEU 4 9.594 7.737 6.020
44 2HD1 LEU 4 HD11 LEU 4 8.946 8.914 7.164
45 3HD1 LEU 4 HD13 LEU 4 8.962 9.278 5.438
46 1HD2 LEU 4 HD21 LEU 4 11.081 10.309 8.330
47 2HD2 LEU 4 HD23 LEU 4 11.476 11.387 6.990
48 3HD2 LEU 4 HD22 LEU 4 9.792 10.999 7.342
49 H GLN 5 HN GLN 5 12.360 5.394 4.913
50 HA GLN 5 HA GLN 5 10.136 6.202 3.087
51 1HB GLN 5 HB2 GLN 5 12.425 4.343 2.380
52 2HB GLN 5 HB1 GLN 5 11.074 4.773 1.329
53 1HG GLN 5 HG2 GLN 5 11.768 7.073 1.242
54 2HG GLN 5 HG1 GLN 5 12.964 6.819 2.513
55 1HE2 GLN 5 HE22 GLN 5 15.103 4.858 0.248
56 2HE2 GLN 5 HE21 GLN 5 14.454 4.710 1.809
57 H ILE 6 HN ILE 6 8.587 4.527 2.686
58 HA ILE 6 HA ILE 6 8.834 2.167 4.495
59 HB ILE 6 HB ILE 6 6.461 3.914 3.824
60 1HG1 ILE 6 HG12 ILE 6 7.834 3.032 6.378
61 2HG1 ILE 6 HG11 ILE 6 7.732 4.669 5.730
62 1HG2 ILE 6 HG21 ILE 6 6.503 1.161 5.088
63 2HG2 ILE 6 HG23 ILE 6 5.110 2.242 5.100
64 3HG2 ILE 6 HG22 ILE 6 5.723 1.612 3.571
65 1HD1 ILE 6 HD12 ILE 6 5.348 3.012 6.602
66 2HD1 ILE 6 HD11 ILE 6 6.104 4.271 7.578
67 3HD1 ILE 6 HD13 ILE 6 5.314 4.689 6.058
68 H ALA 7 HN ALA 7 7.414 0.302 3.707
69 HA ALA 7 HA ALA 7 7.173 0.299 0.731
70 1HB ALA 7 HB2 ALA 7 9.178 -1.038 2.067
71 2HB ALA 7 HB1 ALA 7 7.936 -2.281 1.916
72 3HB ALA 7 HB3 ALA 7 8.559 -1.478 0.475
73 H VAL 8 HN VAL 8 4.971 0.182 0.518
74 HA VAL 8 HA VAL 8 3.565 -1.970 2.081
75 HB VAL 8 HB VAL 8 2.807 0.279 2.773
76 1HG1 VAL 8 HG11 VAL 8 3.336 1.103 0.275
77 2HG1 VAL 8 HG13 VAL 8 1.622 0.744 0.067
78 3HG1 VAL 8 HG12 VAL 8 2.136 1.917 1.278
79 1HG2 VAL 8 HG22 VAL 8 1.275 -1.802 2.362
80 2HG2 VAL 8 HG21 VAL 8 0.520 -0.232 2.636
81 3HG2 VAL 8 HG23 VAL 8 0.663 -0.866 0.998
82 H GLY 9 HN GLY 9 4.031 -3.411 0.289
83 1HA GLY 9 HA2 GLY 9 3.096 -2.817 -2.382
84 2HA GLY 9 HA1 GLY 9 3.494 -4.429 -1.773
85 H ILE 10 HN ILE 10 0.944 -2.568 -2.845
86 HA ILE 10 HA ILE 10 -1.069 -3.503 -0.977
87 HB ILE 10 HB ILE 10 -1.696 -2.576 -3.756
88 1HG1 ILE 10 HG12 ILE 10 -1.479 -0.285 -2.118
89 2HG1 ILE 10 HG11 ILE 10 0.000 -1.188 -1.868
90 1HG2 ILE 10 HG21 ILE 10 -3.082 -2.966 -1.294
91 2HG2 ILE 10 HG23 ILE 10 -3.095 -1.240 -1.657
92 3HG2 ILE 10 HG22 ILE 10 -3.736 -2.391 -2.829
93 1HD1 ILE 10 HD13 ILE 10 -0.391 -1.351 -4.614
94 2HD1 ILE 10 HD12 ILE 10 -0.873 0.299 -4.221
95 3HD1 ILE 10 HD11 ILE 10 0.739 -0.275 -3.793
96 H ILE 11 HN ILE 11 -3.084 -4.640 -2.483
97 HA ILE 11 HA ILE 11 -1.753 -6.855 -3.957
98 HB ILE 11 HB ILE 11 -3.761 -7.920 -2.160
99 1HG1 ILE 11 HG12 ILE 11 -1.470 -6.350 -0.953
100 2HG1 ILE 11 HG11 ILE 11 -3.192 -6.134 -0.647
101 1HG2 ILE 11 HG21 ILE 11 -1.957 -9.212 -3.316
102 2HG2 ILE 11 HG23 ILE 11 -0.762 -8.382 -2.318
103 3HG2 ILE 11 HG22 ILE 11 -1.943 -9.456 -1.570
104 1HD1 ILE 11 HD13 ILE 11 -1.669 -8.672 -0.026
105 2HD1 ILE 11 HD12 ILE 11 -1.993 -7.402 1.156
106 3HD1 ILE 11 HD11 ILE 11 -3.329 -8.290 0.426
107 H ARG 12 HN ARG 12 -3.086 -8.006 -5.341
108 HA ARG 12 HA ARG 12 -5.944 -7.307 -5.583
109 1HB ARG 12 HB2 ARG 12 -4.764 -5.626 -6.982
110 2HB ARG 12 HB1 ARG 12 -3.962 -6.929 -7.858
111 1HG ARG 12 HG2 ARG 12 -5.976 -7.675 -8.836
112 2HG ARG 12 HG1 ARG 12 -6.968 -6.822 -7.655
113 1HD ARG 12 HD2 ARG 12 -7.166 -5.260 -9.299
114 2HD ARG 12 HD1 ARG 12 -5.571 -4.746 -8.747
115 HE ARG 12 HE ARG 12 -5.004 -6.717 -10.597
116 1HH1 ARG 12 HH21 ARG 12 -5.186 -3.475 -10.637
117 2HH1 ARG 12 HH22 ARG 12 -5.729 -3.294 -12.272
118 1HH2 ARG 12 HH11 ARG 12 -6.454 -6.661 -12.683
119 2HH2 ARG 12 HH12 ARG 12 -6.447 -5.097 -13.430
120 H ASN 13 HN ASN 13 -7.023 -9.212 -6.060
121 HA ASN 13 HA ASN 13 -5.342 -11.526 -6.863
122 1HB ASN 13 HB2 ASN 13 -7.588 -11.186 -5.129
123 2HB ASN 13 HB1 ASN 13 -8.044 -12.306 -6.406
124 1HD2 ASN 13 HD22 ASN 13 -6.138 -14.007 -3.534
125 2HD2 ASN 13 HD21 ASN 13 -7.374 -12.844 -3.483
126 H GLU 14 HN GLU 14 -7.388 -13.113 -7.932
127 HA GLU 14 HA GLU 14 -7.578 -11.935 -10.637
128 1HB GLU 14 HB2 GLU 14 -6.747 -14.194 -10.495
129 2HB GLU 14 HB1 GLU 14 -8.160 -14.712 -9.583
130 1HG GLU 14 HG2 GLU 14 -9.606 -14.292 -11.483
131 2HG GLU 14 HG1 GLU 14 -8.272 -13.576 -12.390
132 H ASN 15 HN ASN 15 -9.451 -12.070 -7.881
133 HA ASN 15 HA ASN 15 -12.033 -12.318 -9.270
134 1HB ASN 15 HB2 ASN 15 -11.418 -12.994 -6.786
135 2HB ASN 15 HB1 ASN 15 -11.750 -11.295 -6.463
136 1HD2 ASN 15 HD22 ASN 15 -14.848 -13.674 -7.769
137 2HD2 ASN 15 HD21 ASN 15 -13.255 -14.098 -8.173
138 H ASN 16 HN ASN 16 -9.827 -10.111 -9.573
139 HA ASN 16 HA ASN 16 -9.800 -7.836 -10.052
140 1HB ASN 16 HB2 ASN 16 -11.560 -8.379 -11.600
141 2HB ASN 16 HB1 ASN 16 -12.746 -8.452 -10.301
142 1HD2 ASN 16 HD22 ASN 16 -13.385 -4.985 -10.390
143 2HD2 ASN 16 HD21 ASN 16 -13.814 -6.505 -9.770
144 H GLU 17 HN GLU 17 -9.580 -8.361 -7.371
145 HA GLU 17 HA GLU 17 -11.066 -6.055 -6.201
146 1HB GLU 17 HB2 GLU 17 -10.880 -7.653 -4.023
147 2HB GLU 17 HB1 GLU 17 -12.299 -7.618 -5.067
148 1HG GLU 17 HG2 GLU 17 -11.354 -9.497 -6.384
149 2HG GLU 17 HG1 GLU 17 -9.972 -9.550 -5.289
150 H ILE 18 HN ILE 18 -9.978 -5.468 -4.002
151 HA ILE 18 HA ILE 18 -7.029 -5.927 -4.237
152 HB ILE 18 HB ILE 18 -8.005 -3.385 -3.025
153 1HG1 ILE 18 HG12 ILE 18 -7.912 -3.836 -6.027
154 2HG1 ILE 18 HG11 ILE 18 -9.385 -3.626 -5.081
155 1HG2 ILE 18 HG23 ILE 18 -5.704 -4.155 -4.850
156 2HG2 ILE 18 HG22 ILE 18 -5.964 -2.539 -4.193
157 3HG2 ILE 18 HG21 ILE 18 -5.614 -3.885 -3.109
158 1HD1 ILE 18 HD12 ILE 18 -7.591 -1.503 -4.408
159 2HD1 ILE 18 HD11 ILE 18 -7.692 -1.598 -6.166
160 3HD1 ILE 18 HD13 ILE 18 -9.160 -1.392 -5.208
161 H PHE 19 HN PHE 19 -5.885 -5.781 -2.184
162 HA PHE 19 HA PHE 19 -7.638 -6.523 0.118
163 1HB PHE 19 HB2 PHE 19 -6.080 -8.285 -0.389
164 2HB PHE 19 HB1 PHE 19 -4.745 -7.145 -0.535
165 HD1 PHE 19 HD2 PHE 19 -7.040 -8.830 1.828
166 HD2 PHE 19 HD1 PHE 19 -3.629 -6.254 1.412
167 HE1 PHE 19 HE2 PHE 19 -6.532 -9.110 4.237
168 HE2 PHE 19 HE1 PHE 19 -3.121 -6.537 3.819
169 HZ PHE 19 HZ PHE 19 -4.563 -7.967 5.228
170 H ILE 20 HN ILE 20 -8.044 -4.219 0.548
171 HA ILE 20 HA ILE 20 -5.794 -2.482 1.080
172 HB ILE 20 HB ILE 20 -8.182 -1.892 0.257
173 1HG1 ILE 20 HG12 ILE 20 -7.871 0.304 0.796
174 2HG1 ILE 20 HG11 ILE 20 -7.434 -0.055 2.460
175 1HG2 ILE 20 HG23 ILE 20 -9.384 -3.001 2.084
176 2HG2 ILE 20 HG22 ILE 20 -8.636 -1.896 3.238
177 3HG2 ILE 20 HG21 ILE 20 -9.763 -1.279 2.029
178 1HD1 ILE 20 HD11 ILE 20 -5.657 -0.788 0.129
179 2HD1 ILE 20 HD13 ILE 20 -5.537 0.768 0.951
180 3HD1 ILE 20 HD12 ILE 20 -5.229 -0.725 1.838
181 H THR 21 HN THR 21 -6.296 -1.155 3.296
182 HA THR 21 HA THR 21 -6.430 -3.179 5.479
183 HB THR 21 HB THR 21 -4.662 -1.066 6.226
184 HG1 THR 21 HG1 THR 21 -4.439 -0.930 3.895
185 1HG2 THR 21 HG23 THR 21 -4.795 -3.972 6.132
186 2HG2 THR 21 HG22 THR 21 -3.169 -3.382 5.790
187 3HG2 THR 21 HG21 THR 21 -3.973 -2.929 7.292
188 H ARG 22 HN ARG 22 -7.465 -2.461 7.368
189 HA ARG 22 HA ARG 22 -8.276 0.380 7.511
190 1HB ARG 22 HB2 ARG 22 -9.995 -1.661 6.629
191 2HB ARG 22 HB1 ARG 22 -10.460 -1.343 8.303
192 1HG ARG 22 HG2 ARG 22 -10.738 0.995 7.863
193 2HG ARG 22 HG1 ARG 22 -10.014 0.834 6.266
194 1HD ARG 22 HD2 ARG 22 -12.517 -0.672 7.026
195 2HD ARG 22 HD1 ARG 22 -12.586 0.962 6.368
196 HE ARG 22 HE ARG 22 -10.982 -0.423 4.573
197 1HH1 ARG 22 HH21 ARG 22 -14.207 -0.423 5.757
198 2HH1 ARG 22 HH22 ARG 22 -14.824 -1.413 4.477
199 1HH2 ARG 22 HH11 ARG 22 -11.728 -1.881 2.985
200 2HH2 ARG 22 HH12 ARG 22 -13.422 -2.239 2.907
201 H ARG 23 HN ARG 23 -9.121 0.931 9.699
202 HA ARG 23 HA ARG 23 -7.610 -0.478 11.765
203 1HB ARG 23 HB2 ARG 23 -8.514 1.382 13.183
204 2HB ARG 23 HB1 ARG 23 -7.600 1.944 11.796
205 1HG ARG 23 HG2 ARG 23 -9.612 2.468 10.589
206 2HG ARG 23 HG1 ARG 23 -10.613 1.645 11.786
207 1HD ARG 23 HD2 ARG 23 -9.069 3.549 13.206
208 2HD ARG 23 HD1 ARG 23 -9.691 4.377 11.780
209 HE ARG 23 HE ARG 23 -11.265 4.012 13.978
210 1HH1 ARG 23 HH11 ARG 23 -11.451 3.441 10.632
211 2HH1 ARG 23 HH12 ARG 23 -13.061 2.804 10.674
212 1HH2 ARG 23 HH21 ARG 23 -13.265 2.830 14.134
213 2HH2 ARG 23 HH22 ARG 23 -14.088 2.459 12.656
214 H ALA 24 HN ALA 24 -9.380 -2.316 10.973
215 HA ALA 24 HA ALA 24 -11.137 -3.684 11.716
216 1HB ALA 24 HB2 ALA 24 -9.823 -3.058 13.925
217 2HB ALA 24 HB1 ALA 24 -11.272 -2.113 14.268
218 3HB ALA 24 HB3 ALA 24 -11.393 -3.855 14.023
219 H ALA 25 HN ALA 25 -13.485 -3.440 12.743
220 HA ALA 25 HA ALA 25 -15.591 -2.395 12.644
221 1HB ALA 25 HB2 ALA 25 -13.995 -0.433 13.558
222 2HB ALA 25 HB1 ALA 25 -14.410 0.263 11.991
223 3HB ALA 25 HB3 ALA 25 -15.685 -0.148 13.139
224 H ASP 26 HN ASP 26 -16.767 -0.700 10.991
225 HA ASP 26 HA ASP 26 -15.736 -1.362 8.263
226 1HB ASP 26 HB2 ASP 26 -17.869 -2.605 9.175
227 2HB ASP 26 HB1 ASP 26 -18.676 -1.079 8.812
228 H ALA 27 HN ALA 27 -14.888 0.656 7.771
229 HA ALA 27 HA ALA 27 -16.125 3.149 8.484
230 1HB ALA 27 HB2 ALA 27 -13.884 2.256 6.769
231 2HB ALA 27 HB1 ALA 27 -14.625 3.786 6.304
232 3HB ALA 27 HB3 ALA 27 -13.956 3.587 7.922
233 H HIS 28 HN HIS 28 -17.800 4.201 7.515
234 HA HIS 28 HA HIS 28 -19.234 2.941 5.329
235 1HB HIS 28 HB2 HIS 28 -20.017 4.587 7.310
236 2HB HIS 28 HB1 HIS 28 -19.784 5.784 6.035
237 HD1 HIS 28 HD1 HIS 28 -22.394 6.115 5.880
238 HD2 HIS 28 HD2 HIS 28 -21.085 2.273 4.928
239 HE1 HIS 28 HE1 HIS 28 -24.343 4.953 4.756
240 H MET 29 HN MET 29 -19.931 5.533 4.036
241 HA MET 29 HA MET 29 -18.012 5.461 1.908
242 1HB MET 29 HB2 MET 29 -20.430 6.987 2.585
243 2HB MET 29 HB1 MET 29 -19.246 7.919 1.667
244 1HG MET 29 HG2 MET 29 -19.143 6.121 -0.023
245 2HG MET 29 HG1 MET 29 -20.338 5.199 0.887
246 1HE MET 29 HE3 MET 29 -19.334 7.770 -1.343
247 2HE MET 29 HE2 MET 29 -20.763 8.574 -1.991
248 3HE MET 29 HE1 MET 29 -20.063 9.124 -0.470
249 H ALA 30 HN ALA 30 -18.024 7.060 4.950
250 HA ALA 30 HA ALA 30 -15.912 8.956 4.032
251 1HB ALA 30 HB3 ALA 30 -17.999 9.707 5.372
252 2HB ALA 30 HB2 ALA 30 -17.207 8.958 6.758
253 3HB ALA 30 HB1 ALA 30 -16.427 10.294 5.911
254 H ASN 31 HN ASN 31 -15.122 9.064 7.019
255 HA ASN 31 HA ASN 31 -13.626 7.952 8.457
256 1HB ASN 31 HB2 ASN 31 -15.043 5.829 7.166
257 2HB ASN 31 HB1 ASN 31 -13.332 5.400 7.209
258 1HD2 ASN 31 HD22 ASN 31 -15.067 6.222 10.855
259 2HD2 ASN 31 HD21 ASN 31 -15.480 7.175 9.513
260 H LYS 32 HN LYS 32 -11.576 6.142 7.811
261 HA LYS 32 HA LYS 32 -10.228 7.345 5.447
262 1HB LYS 32 HB2 LYS 32 -8.213 7.819 6.712
263 2HB LYS 32 HB1 LYS 32 -9.568 8.614 7.515
264 1HG LYS 32 HG2 LYS 32 -8.797 7.574 9.382
265 2HG LYS 32 HG1 LYS 32 -9.591 6.147 8.714
266 1HD LYS 32 HD2 LYS 32 -7.457 5.594 7.517
267 2HD LYS 32 HD1 LYS 32 -6.685 6.937 8.361
268 1HE LYS 32 HE2 LYS 32 -6.787 5.880 10.426
269 2HE LYS 32 HE1 LYS 32 -8.173 4.892 9.966
270 1HZ LYS 32 HZ1 LYS 32 -5.430 4.575 8.876
271 2HZ LYS 32 HZ3 LYS 32 -6.100 3.614 10.102
272 3HZ LYS 32 HZ2 LYS 32 -6.769 3.585 8.541
273 H LEU 33 HN LEU 33 -8.907 5.893 4.372
274 HA LEU 33 HA LEU 33 -8.801 3.129 5.461
275 1HB LEU 33 HB2 LEU 33 -8.657 4.294 2.681
276 2HB LEU 33 HB1 LEU 33 -8.253 2.628 3.027
277 HG LEU 33 HG LEU 33 -10.909 3.974 3.534
278 1HD1 LEU 33 HD11 LEU 33 -10.418 3.277 1.190
279 2HD1 LEU 33 HD13 LEU 33 -10.154 1.633 1.768
280 3HD1 LEU 33 HD12 LEU 33 -11.751 2.370 1.904
281 1HD2 LEU 33 HD21 LEU 33 -9.741 1.372 4.458
282 2HD2 LEU 33 HD23 LEU 33 -10.762 2.510 5.337
283 3HD2 LEU 33 HD22 LEU 33 -11.467 1.464 4.104
284 H GLU 34 HN GLU 34 -6.656 2.054 4.204
285 HA GLU 34 HA GLU 34 -4.395 3.880 4.208
286 1HB GLU 34 HB2 GLU 34 -5.100 2.989 6.682
287 2HB GLU 34 HB1 GLU 34 -3.960 1.746 6.187
288 1HG GLU 34 HG2 GLU 34 -2.388 3.648 5.521
289 2HG GLU 34 HG1 GLU 34 -3.485 4.726 6.383
290 H PHE 35 HN PHE 35 -2.452 1.933 4.808
291 HA PHE 35 HA PHE 35 -2.885 -0.344 2.988
292 1HB PHE 35 HB2 PHE 35 -0.714 1.712 2.460
293 2HB PHE 35 HB1 PHE 35 -0.952 0.211 1.569
294 HD1 PHE 35 HD1 PHE 35 -2.325 3.567 2.264
295 HD2 PHE 35 HD2 PHE 35 -2.756 -0.034 -0.036
296 HE1 PHE 35 HE1 PHE 35 -3.940 4.714 0.771
297 HE2 PHE 35 HE2 PHE 35 -4.371 1.112 -1.529
298 HZ PHE 35 HZ PHE 35 -4.962 3.487 -1.126
299 HA PRO 36 HA PRO 36 -0.184 -2.309 5.831
300 1HB PRO 36 HB2 PRO 36 1.120 -3.924 3.844
301 2HB PRO 36 HB1 PRO 36 -0.207 -4.391 4.917
302 1HG PRO 36 HG2 PRO 36 -0.324 -3.896 2.075
303 2HG PRO 36 HG1 PRO 36 -1.641 -4.385 3.149
304 1HD PRO 36 HD2 PRO 36 -1.217 -1.802 1.939
305 2HD PRO 36 HD1 PRO 36 -2.536 -2.298 3.017
306 H GLY 37 HN GLY 37 2.442 -3.345 5.000
307 1HA GLY 37 HA2 GLY 37 4.593 -2.566 4.295
308 2HA GLY 37 HA1 GLY 37 3.906 -0.959 4.053
309 H GLY 38 HN GLY 38 6.174 -0.786 5.338
310 1HA GLY 38 HA2 GLY 38 5.506 0.253 7.930
311 2HA GLY 38 HA1 GLY 38 6.319 -1.303 8.106
312 H LYS 39 HN LYS 39 8.093 -1.097 5.883
313 HA LYS 39 HA LYS 39 9.571 1.393 6.004
314 1HB LYS 39 HB2 LYS 39 10.014 -0.061 8.216
315 2HB LYS 39 HB1 LYS 39 11.177 -0.843 7.144
316 1HG LYS 39 HG2 LYS 39 12.491 1.030 6.974
317 2HG LYS 39 HG1 LYS 39 11.120 2.132 7.108
318 1HD LYS 39 HD2 LYS 39 11.341 0.679 9.564
319 2HD LYS 39 HD1 LYS 39 12.930 1.334 9.163
320 1HE LYS 39 HE2 LYS 39 10.412 3.006 9.046
321 2HE LYS 39 HE1 LYS 39 11.393 2.877 10.504
322 1HZ LYS 39 HZ1 LYS 39 13.317 3.492 8.935
323 2HZ LYS 39 HZ3 LYS 39 12.100 4.055 7.896
324 3HZ LYS 39 HZ2 LYS 39 12.261 4.721 9.451
325 H ILE 40 HN ILE 40 11.758 1.096 4.854
326 HA ILE 40 HA ILE 40 11.659 -1.192 2.941
327 HB ILE 40 HB ILE 40 10.706 0.996 1.996
328 1HG1 ILE 40 HG12 ILE 40 13.172 -0.154 0.649
329 2HG1 ILE 40 HG11 ILE 40 11.566 -0.885 0.599
330 1HG2 ILE 40 HG23 ILE 40 12.493 2.396 3.141
331 2HG2 ILE 40 HG22 ILE 40 13.629 1.782 1.942
332 3HG2 ILE 40 HG21 ILE 40 12.246 2.747 1.431
333 1HD1 ILE 40 HD11 ILE 40 11.815 1.989 -0.183
334 2HD1 ILE 40 HD13 ILE 40 12.390 0.772 -1.322
335 3HD1 ILE 40 HD12 ILE 40 10.710 0.754 -0.787
336 H GLU 41 HN GLU 41 13.600 -2.229 2.953
337 HA GLU 41 HA GLU 41 15.878 -1.024 4.331
338 1HB GLU 41 HB2 GLU 41 15.895 -3.599 2.751
339 2HB GLU 41 HB1 GLU 41 16.922 -3.151 4.114
340 1HG GLU 41 HG2 GLU 41 15.167 -3.385 5.669
341 2HG GLU 41 HG1 GLU 41 13.928 -3.312 4.420
342 H MET 42 HN MET 42 17.557 0.015 3.390
343 HA MET 42 HA MET 42 17.759 -0.082 0.403
344 1HB MET 42 HB2 MET 42 17.082 2.141 1.199
345 2HB MET 42 HB1 MET 42 18.457 2.182 2.302
346 1HG MET 42 HG2 MET 42 20.012 2.088 0.411
347 2HG MET 42 HG1 MET 42 18.661 1.966 -0.717
348 1HE MET 42 HE2 MET 42 20.941 3.639 1.247
349 2HE MET 42 HE1 MET 42 20.923 5.297 0.653
350 3HE MET 42 HE3 MET 42 20.063 4.877 2.141
351 H GLY 43 HN GLY 43 19.148 -2.039 1.001
352 1HA GLY 43 HA2 GLY 43 21.938 -1.097 1.508
353 2HA GLY 43 HA1 GLY 43 21.327 -2.556 2.288
354 H GLU 44 HN GLU 44 19.895 -2.431 -0.699
355 HA GLU 44 HA GLU 44 22.160 -3.587 -2.190
356 1HB GLU 44 HB2 GLU 44 20.017 -5.198 -0.960
357 2HB GLU 44 HB1 GLU 44 20.299 -5.536 -2.668
358 1HG GLU 44 HG2 GLU 44 22.631 -5.991 -2.275
359 2HG GLU 44 HG1 GLU 44 22.522 -5.407 -0.614
360 H THR 45 HN THR 45 18.586 -3.809 -2.529
361 HA THR 45 HA THR 45 18.681 -1.857 -4.711
362 HB THR 45 HB THR 45 19.198 -4.496 -5.360
363 HG1 THR 45 HG1 THR 45 18.764 -2.156 -6.564
364 1HG2 THR 45 HG23 THR 45 16.528 -4.641 -4.914
365 2HG2 THR 45 HG22 THR 45 16.533 -4.124 -6.600
366 3HG2 THR 45 HG21 THR 45 17.361 -5.604 -6.129
367 HA PRO 46 HA PRO 46 14.548 -1.035 -3.659
368 1HB PRO 46 HB2 PRO 46 13.378 -1.038 -6.255
369 2HB PRO 46 HB1 PRO 46 14.043 0.347 -5.379
370 1HG PRO 46 HG2 PRO 46 15.155 -0.997 -7.691
371 2HG PRO 46 HG1 PRO 46 15.776 0.429 -6.856
372 1HD PRO 46 HD2 PRO 46 16.819 -2.256 -6.784
373 2HD PRO 46 HD1 PRO 46 17.459 -0.812 -5.974
374 H GLU 47 HN GLU 47 14.927 -3.808 -5.823
375 HA GLU 47 HA GLU 47 12.209 -4.772 -5.408
376 1HB GLU 47 HB2 GLU 47 14.546 -5.520 -6.986
377 2HB GLU 47 HB1 GLU 47 13.771 -6.925 -6.260
378 1HG GLU 47 HG2 GLU 47 12.724 -6.522 -8.407
379 2HG GLU 47 HG1 GLU 47 11.570 -6.079 -7.148
380 H GLN 48 HN GLN 48 15.288 -6.372 -4.618
381 HA GLN 48 HA GLN 48 14.628 -8.262 -2.828
382 1HB GLN 48 HB2 GLN 48 16.933 -7.128 -3.586
383 2HB GLN 48 HB1 GLN 48 16.799 -6.442 -1.966
384 1HG GLN 48 HG2 GLN 48 16.367 -8.722 -1.097
385 2HG GLN 48 HG1 GLN 48 16.694 -9.353 -2.711
386 1HE2 GLN 48 HE22 GLN 48 20.064 -9.649 -1.613
387 2HE2 GLN 48 HE21 GLN 48 18.654 -10.488 -2.049
388 H ALA 49 HN ALA 49 14.752 -4.884 -2.362
389 HA ALA 49 HA ALA 49 14.552 -4.661 0.378
390 1HB ALA 49 HB1 ALA 49 14.022 -2.948 -1.888
391 2HB ALA 49 HB3 ALA 49 12.882 -2.631 -0.579
392 3HB ALA 49 HB2 ALA 49 14.617 -2.516 -0.285
393 H VAL 50 HN VAL 50 11.671 -4.337 -1.718
394 HA VAL 50 HA VAL 50 9.928 -4.939 0.539
395 HB VAL 50 HB VAL 50 9.289 -3.306 -1.145
396 1HG1 VAL 50 HG13 VAL 50 10.413 -4.500 -3.060
397 2HG1 VAL 50 HG12 VAL 50 9.080 -5.654 -3.049
398 3HG1 VAL 50 HG11 VAL 50 8.776 -3.958 -3.424
399 1HG2 VAL 50 HG22 VAL 50 7.618 -4.820 0.098
400 2HG2 VAL 50 HG21 VAL 50 7.026 -3.964 -1.326
401 3HG2 VAL 50 HG23 VAL 50 7.449 -5.672 -1.438
402 H VAL 51 HN VAL 51 10.790 -6.594 -2.482
403 HA VAL 51 HA VAL 51 9.085 -8.762 -2.447
404 HB VAL 51 HB VAL 51 10.710 -8.588 -4.194
405 1HG1 VAL 51 HG13 VAL 51 12.392 -7.713 -2.207
406 2HG1 VAL 51 HG12 VAL 51 13.065 -9.294 -2.599
407 3HG1 VAL 51 HG11 VAL 51 12.880 -8.078 -3.860
408 1HG2 VAL 51 HG21 VAL 51 10.253 -10.953 -2.923
409 2HG2 VAL 51 HG23 VAL 51 11.183 -10.796 -4.414
410 3HG2 VAL 51 HG22 VAL 51 12.014 -10.868 -2.860
411 H ARG 52 HN ARG 52 12.126 -8.492 -0.563
412 HA ARG 52 HA ARG 52 11.598 -10.939 0.870
413 1HB ARG 52 HB2 ARG 52 13.826 -10.725 0.874
414 2HB ARG 52 HB1 ARG 52 13.733 -9.053 0.388
415 1HG ARG 52 HG2 ARG 52 13.335 -8.381 2.709
416 2HG ARG 52 HG1 ARG 52 13.470 -10.062 3.231
417 1HD ARG 52 HD2 ARG 52 15.778 -10.139 2.322
418 2HD ARG 52 HD1 ARG 52 15.640 -8.442 1.862
419 HE ARG 52 HE ARG 52 15.059 -8.438 4.570
420 1HH1 ARG 52 HH21 ARG 52 17.681 -7.837 2.770
421 2HH1 ARG 52 HH22 ARG 52 18.871 -8.431 3.880
422 1HH2 ARG 52 HH11 ARG 52 16.554 -9.985 5.939
423 2HH2 ARG 52 HH12 ARG 52 18.232 -9.649 5.674
424 H GLU 53 HN GLU 53 10.979 -7.491 1.374
425 HA GLU 53 HA GLU 53 10.665 -7.709 4.248
426 1HB GLU 53 HB2 GLU 53 9.801 -5.661 2.211
427 2HB GLU 53 HB1 GLU 53 9.393 -5.504 3.918
428 1HG GLU 53 HG2 GLU 53 12.225 -6.145 3.366
429 2HG GLU 53 HG1 GLU 53 11.698 -4.554 2.818
430 H LEU 54 HN LEU 54 8.131 -7.015 1.825
431 HA LEU 54 HA LEU 54 5.941 -7.568 3.489
432 1HB LEU 54 HB2 LEU 54 6.370 -7.645 0.528
433 2HB LEU 54 HB1 LEU 54 4.842 -8.231 1.187
434 HG LEU 54 HG LEU 54 5.974 -5.557 2.004
435 1HD1 LEU 54 HD12 LEU 54 5.229 -6.258 -0.617
436 2HD1 LEU 54 HD11 LEU 54 3.846 -5.388 0.044
437 3HD1 LEU 54 HD13 LEU 54 5.438 -4.629 0.021
438 1HD2 LEU 54 HD21 LEU 54 3.998 -6.874 3.142
439 2HD2 LEU 54 HD23 LEU 54 3.820 -5.148 2.826
440 3HD2 LEU 54 HD22 LEU 54 3.077 -6.323 1.742
441 H GLN 55 HN GLN 55 7.838 -9.846 1.515
442 HA GLN 55 HA GLN 55 6.088 -12.083 1.961
443 1HB GLN 55 HB2 GLN 55 7.867 -13.444 1.076
444 2HB GLN 55 HB1 GLN 55 7.858 -11.934 0.166
445 1HG GLN 55 HG2 GLN 55 9.711 -11.068 1.451
446 2HG GLN 55 HG1 GLN 55 9.640 -12.435 2.561
447 1HE2 GLN 55 HE22 GLN 55 10.610 -13.753 -1.168
448 2HE2 GLN 55 HE21 GLN 55 9.125 -12.984 -0.875
449 H GLU 56 HN GLU 56 8.772 -10.727 3.817
450 HA GLU 56 HA GLU 56 8.900 -13.029 5.610
451 1HB GLU 56 HB2 GLU 56 10.484 -11.717 6.889
452 2HB GLU 56 HB1 GLU 56 10.850 -11.506 5.177
453 1HG GLU 56 HG2 GLU 56 10.274 -9.303 5.197
454 2HG GLU 56 HG1 GLU 56 8.910 -9.567 6.283
455 H GLU 57 HN GLU 57 6.667 -10.580 5.219
456 HA GLU 57 HA GLU 57 6.040 -10.363 8.109
457 1HB GLU 57 HB2 GLU 57 5.921 -8.489 6.163
458 2HB GLU 57 HB1 GLU 57 4.270 -9.105 6.083
459 1HG GLU 57 HG2 GLU 57 4.982 -8.829 8.838
460 2HG GLU 57 HG1 GLU 57 5.384 -7.324 8.012
461 H VAL 58 HN VAL 58 4.431 -11.333 5.062
462 HA VAL 58 HA VAL 58 2.548 -12.943 6.734
463 HB VAL 58 HB VAL 58 1.090 -11.543 5.633
464 1HG1 VAL 58 HG13 VAL 58 3.124 -11.438 3.397
465 2HG1 VAL 58 HG12 VAL 58 1.540 -10.667 3.313
466 3HG1 VAL 58 HG11 VAL 58 2.704 -10.155 4.532
467 1HG2 VAL 58 HG23 VAL 58 1.663 -13.706 3.587
468 2HG2 VAL 58 HG22 VAL 58 0.419 -13.713 4.836
469 3HG2 VAL 58 HG21 VAL 58 0.296 -12.598 3.475
470 H GLY 59 HN GLY 59 4.779 -12.927 4.039
471 1HA GLY 59 HA2 GLY 59 5.940 -14.721 3.082
472 2HA GLY 59 HA1 GLY 59 5.169 -15.773 4.261
473 H ILE 60 HN ILE 60 4.895 -14.375 1.067
474 HA ILE 60 HA ILE 60 2.632 -16.236 0.493
475 HB ILE 60 HB ILE 60 3.070 -14.250 -1.576
476 1HG1 ILE 60 HG12 ILE 60 3.856 -13.017 0.617
477 2HG1 ILE 60 HG11 ILE 60 2.731 -12.223 -0.459
478 1HG2 ILE 60 HG22 ILE 60 0.820 -14.996 0.291
479 2HG2 ILE 60 HG21 ILE 60 0.649 -13.767 -0.969
480 3HG2 ILE 60 HG23 ILE 60 1.005 -15.439 -1.402
481 1HD1 ILE 60 HD13 ILE 60 1.364 -13.908 1.508
482 2HD1 ILE 60 HD12 ILE 60 2.333 -12.640 2.253
483 3HD1 ILE 60 HD11 ILE 60 1.090 -12.223 1.095
484 H THR 61 HN THR 61 2.733 -16.969 -1.945
485 HA THR 61 HA THR 61 5.605 -17.470 -2.614
486 HB THR 61 HB THR 61 4.231 -19.531 -3.833
487 HG1 THR 61 HG1 THR 61 3.141 -19.033 -1.257
488 1HG2 THR 61 HG23 THR 61 5.734 -19.227 -1.261
489 2HG2 THR 61 HG22 THR 61 5.038 -20.789 -1.698
490 3HG2 THR 61 HG21 THR 61 6.227 -20.026 -2.754
491 HA PRO 62 HA PRO 62 3.569 -16.913 -6.889
492 1HB PRO 62 HB2 PRO 62 0.769 -16.829 -6.928
493 2HB PRO 62 HB1 PRO 62 1.769 -18.216 -7.383
494 1HG PRO 62 HG2 PRO 62 0.125 -17.862 -4.985
495 2HG PRO 62 HG1 PRO 62 0.874 -19.329 -5.603
496 1HD PRO 62 HD2 PRO 62 1.714 -17.775 -3.362
497 2HD PRO 62 HD1 PRO 62 2.517 -19.169 -4.102
498 H GLN 63 HN GLN 63 3.887 -14.881 -4.819
499 HA GLN 63 HA GLN 63 1.827 -12.877 -5.099
500 1HB GLN 63 HB2 GLN 63 3.540 -11.477 -3.817
501 2HB GLN 63 HB1 GLN 63 2.926 -12.909 -2.993
502 1HG GLN 63 HG2 GLN 63 4.930 -13.998 -3.102
503 2HG GLN 63 HG1 GLN 63 5.311 -13.343 -4.695
504 1HE2 GLN 63 HE22 GLN 63 7.527 -11.023 -3.265
505 2HE2 GLN 63 HE21 GLN 63 7.184 -12.104 -4.528
506 H HIS 64 HN HIS 64 2.417 -13.268 -7.619
507 HA HIS 64 HA HIS 64 4.716 -11.878 -8.660
508 1HB HIS 64 HB2 HIS 64 3.133 -13.537 -9.879
509 2HB HIS 64 HB1 HIS 64 2.093 -12.136 -10.137
510 HD1 HIS 64 HD1 HIS 64 4.580 -13.925 -11.859
511 HD2 HIS 64 HD2 HIS 64 3.966 -9.853 -11.207
512 HE1 HIS 64 HE1 HIS 64 5.899 -12.707 -13.645
513 H PHE 65 HN PHE 65 5.042 -9.663 -8.753
514 HA PHE 65 HA PHE 65 2.640 -7.932 -8.889
515 1HB PHE 65 HB2 PHE 65 3.363 -6.543 -7.027
516 2HB PHE 65 HB1 PHE 65 3.160 -8.201 -6.488
517 HD1 PHE 65 HD2 PHE 65 5.381 -9.710 -6.824
518 HD2 PHE 65 HD1 PHE 65 5.297 -5.441 -6.358
519 HE1 PHE 65 HE2 PHE 65 7.742 -9.746 -6.061
520 HE2 PHE 65 HE1 PHE 65 7.655 -5.476 -5.596
521 HZ PHE 65 HZ PHE 65 8.877 -7.629 -5.446
522 H SER 66 HN SER 66 3.511 -5.558 -8.727
523 HA SER 66 HA SER 66 6.076 -5.038 -10.012
524 1HB SER 66 HB2 SER 66 3.533 -4.491 -11.578
525 2HB SER 66 HB1 SER 66 5.170 -4.079 -12.076
526 HG SER 66 HG SER 66 4.171 -6.133 -12.872
527 H LEU 67 HN LEU 67 6.608 -2.808 -9.709
528 HA LEU 67 HA LEU 67 4.969 -1.417 -7.772
529 1HB LEU 67 HB2 LEU 67 7.351 -1.027 -7.716
530 2HB LEU 67 HB1 LEU 67 7.348 -0.485 -9.397
531 HG LEU 67 HG LEU 67 5.748 1.362 -8.705
532 1HD1 LEU 67 HD13 LEU 67 5.205 0.026 -6.524
533 2HD1 LEU 67 HD12 LEU 67 6.652 0.808 -5.887
534 3HD1 LEU 67 HD11 LEU 67 5.296 1.786 -6.446
535 1HD2 LEU 67 HD21 LEU 67 8.573 1.129 -8.353
536 2HD2 LEU 67 HD23 LEU 67 7.638 2.591 -8.665
537 3HD2 LEU 67 HD22 LEU 67 7.948 2.081 -7.006
538 H PHE 68 HN PHE 68 2.951 -0.934 -8.616
539 HA PHE 68 HA PHE 68 2.230 -0.056 -11.153
540 1HB PHE 68 HB2 PHE 68 0.376 -0.212 -9.790
541 2HB PHE 68 HB1 PHE 68 1.218 0.422 -8.389
542 HD1 PHE 68 HD1 PHE 68 0.349 1.679 -11.831
543 HD2 PHE 68 HD2 PHE 68 0.371 2.418 -7.600
544 HE1 PHE 68 HE1 PHE 68 -0.643 3.921 -12.215
545 HE2 PHE 68 HE2 PHE 68 -0.621 4.655 -7.983
546 HZ PHE 68 HZ PHE 68 -1.120 5.405 -10.289
547 H GLU 69 HN GLU 69 2.483 2.316 -8.567
548 HA GLU 69 HA GLU 69 4.474 3.931 -9.989
549 1HB GLU 69 HB2 GLU 69 2.152 4.383 -11.057
550 2HB GLU 69 HB1 GLU 69 1.777 5.209 -9.544
551 1HG GLU 69 HG2 GLU 69 2.883 7.028 -10.266
552 2HG GLU 69 HG1 GLU 69 4.363 6.075 -10.383
553 H LYS 70 HN LYS 70 5.682 4.862 -8.392
554 HA LYS 70 HA LYS 70 4.611 4.931 -5.663
555 1HB LYS 70 HB2 LYS 70 6.965 5.566 -5.131
556 2HB LYS 70 HB1 LYS 70 6.848 4.044 -5.999
557 1HG LYS 70 HG2 LYS 70 7.565 5.023 -8.025
558 2HG LYS 70 HG1 LYS 70 7.246 6.657 -7.449
559 1HD LYS 70 HD2 LYS 70 9.574 6.512 -7.249
560 2HD LYS 70 HD1 LYS 70 9.032 6.091 -5.624
561 1HE LYS 70 HE2 LYS 70 10.593 4.398 -6.143
562 2HE LYS 70 HE1 LYS 70 9.035 3.645 -6.480
563 1HZ LYS 70 HZ1 LYS 70 9.434 4.630 -8.831
564 2HZ LYS 70 HZ3 LYS 70 11.062 4.637 -8.359
565 3HZ LYS 70 HZ2 LYS 70 10.191 3.178 -8.382
566 H LEU 71 HN LEU 71 4.593 6.867 -4.401
567 HA LEU 71 HA LEU 71 4.609 9.387 -6.019
568 1HB LEU 71 HB2 LEU 71 3.062 10.189 -4.069
569 2HB LEU 71 HB1 LEU 71 2.375 9.164 -5.325
570 HG LEU 71 HG LEU 71 2.812 7.171 -3.879
571 1HD1 LEU 71 HD13 LEU 71 4.073 9.291 -2.248
572 2HD1 LEU 71 HD12 LEU 71 3.074 8.150 -1.345
573 3HD1 LEU 71 HD11 LEU 71 4.424 7.563 -2.315
574 1HD2 LEU 71 HD21 LEU 71 0.753 8.999 -3.740
575 2HD2 LEU 71 HD23 LEU 71 0.762 7.432 -2.932
576 3HD2 LEU 71 HD22 LEU 71 1.255 8.880 -2.053
577 H GLU 72 HN GLU 72 4.600 11.220 -3.919
578 HA GLU 72 HA GLU 72 6.677 10.493 -1.987
579 1HB GLU 72 HB2 GLU 72 8.320 12.160 -2.788
580 2HB GLU 72 HB1 GLU 72 8.047 10.897 -3.986
581 1HG GLU 72 HG2 GLU 72 6.434 13.438 -4.057
582 2HG GLU 72 HG1 GLU 72 8.041 13.377 -4.781
583 H TYR 73 HN TYR 73 7.180 12.326 -0.529
584 HA TYR 73 HA TYR 73 5.445 14.694 -0.687
585 1HB TYR 73 HB2 TYR 73 4.283 12.595 0.515
586 2HB TYR 73 HB1 TYR 73 5.225 13.190 1.882
587 HD1 TYR 73 HD1 TYR 73 5.220 15.967 1.891
588 HD2 TYR 73 HD2 TYR 73 2.095 13.384 0.470
589 HE1 TYR 73 HE1 TYR 73 3.563 17.776 2.251
590 HE2 TYR 73 HE2 TYR 73 0.438 15.194 0.830
591 HH TYR 73 HH TYR 73 0.746 17.978 0.906
592 H GLU 74 HN GLU 74 6.628 16.385 0.084
593 HA GLU 74 HA GLU 74 9.042 15.758 1.713
594 1HB GLU 74 HB2 GLU 74 9.320 17.098 -0.380
595 2HB GLU 74 HB1 GLU 74 8.284 18.344 0.319
596 1HG GLU 74 HG2 GLU 74 10.443 17.505 2.118
597 2HG GLU 74 HG1 GLU 74 11.032 18.207 0.610
598 H PHE 75 HN PHE 75 8.949 16.113 3.843
599 HA PHE 75 HA PHE 75 6.709 17.620 4.998
600 1HB PHE 75 HB2 PHE 75 8.538 15.569 5.845
601 2HB PHE 75 HB1 PHE 75 8.612 16.909 6.988
602 HD1 PHE 75 HD2 PHE 75 5.678 15.992 4.909
603 HD2 PHE 75 HD1 PHE 75 7.425 15.919 8.832
604 HE1 PHE 75 HE2 PHE 75 3.503 15.279 5.863
605 HE2 PHE 75 HE1 PHE 75 5.250 15.205 9.786
606 HZ PHE 75 HZ PHE 75 3.288 14.883 8.300
607 HA PRO 76 HA PRO 76 8.603 21.427 5.942
608 1HB PRO 76 HB2 PRO 76 8.971 21.137 8.801
609 2HB PRO 76 HB1 PRO 76 7.773 22.107 7.933
610 1HG PRO 76 HG2 PRO 76 7.303 19.676 9.361
611 2HG PRO 76 HG1 PRO 76 6.143 20.573 8.371
612 1HD PRO 76 HD2 PRO 76 7.415 18.044 7.779
613 2HD PRO 76 HD1 PRO 76 6.198 18.907 6.819
614 H ASP 77 HN ASP 77 10.290 18.583 6.786
615 HA ASP 77 HA ASP 77 12.818 19.939 6.348
616 1HB ASP 77 HB2 ASP 77 11.994 20.032 8.918
617 2HB ASP 77 HB1 ASP 77 12.870 18.500 8.929
618 H ARG 78 HN ARG 78 11.013 17.092 6.195
619 HA ARG 78 HA ARG 78 13.497 15.551 5.726
620 1HB ARG 78 HB2 ARG 78 11.735 13.627 6.357
621 2HB ARG 78 HB1 ARG 78 12.756 14.407 7.551
622 1HG ARG 78 HG2 ARG 78 10.827 16.099 7.819
623 2HG ARG 78 HG1 ARG 78 9.849 14.918 6.951
624 1HD ARG 78 HD2 ARG 78 9.488 14.222 9.129
625 2HD ARG 78 HD1 ARG 78 10.899 13.246 8.720
626 HE ARG 78 HE ARG 78 11.985 15.578 9.751
627 1HH1 ARG 78 HH21 ARG 78 9.126 14.247 10.941
628 2HH1 ARG 78 HH22 ARG 78 9.712 14.000 12.551
629 1HH2 ARG 78 HH11 ARG 78 12.983 14.844 11.778
630 2HH2 ARG 78 HH12 ARG 78 11.892 14.339 13.024
631 H HIS 79 HN HIS 79 12.523 13.328 4.571
632 HA HIS 79 HA HIS 79 10.771 14.257 2.339
633 1HB HIS 79 HB2 HIS 79 13.108 12.409 1.880
634 2HB HIS 79 HB1 HIS 79 12.228 13.387 0.703
635 HD1 HIS 79 HD1 HIS 79 15.346 13.385 2.370
636 HD2 HIS 79 HD2 HIS 79 12.519 16.351 1.612
637 HE1 HIS 79 HE1 HIS 79 16.550 15.597 2.618
638 H ILE 80 HN ILE 80 9.005 13.086 3.201
639 HA ILE 80 HA ILE 80 9.300 10.239 3.842
640 HB ILE 80 HB ILE 80 6.801 11.934 3.552
641 1HG1 ILE 80 HG12 ILE 80 8.572 11.244 5.908
642 2HG1 ILE 80 HG11 ILE 80 8.124 12.848 5.327
643 1HG2 ILE 80 HG23 ILE 80 6.650 9.362 3.384
644 2HG2 ILE 80 HG22 ILE 80 7.117 9.352 5.084
645 3HG2 ILE 80 HG21 ILE 80 5.627 10.153 4.585
646 1HD1 ILE 80 HD12 ILE 80 5.681 11.564 5.795
647 2HD1 ILE 80 HD11 ILE 80 6.697 11.095 7.158
648 3HD1 ILE 80 HD13 ILE 80 6.424 12.802 6.808
649 H THR 81 HN THR 81 9.765 9.021 2.031
650 HA THR 81 HA THR 81 8.040 9.432 -0.371
651 HB THR 81 HB THR 81 10.458 7.675 -0.438
652 HG1 THR 81 HG1 THR 81 11.114 9.566 0.669
653 1HG2 THR 81 HG22 THR 81 8.997 7.980 -2.413
654 2HG2 THR 81 HG21 THR 81 9.292 9.718 -2.349
655 3HG2 THR 81 HG23 THR 81 10.619 8.610 -2.701
656 H LEU 82 HN LEU 82 6.516 7.907 -0.769
657 HA LEU 82 HA LEU 82 6.862 5.221 0.505
658 1HB LEU 82 HB2 LEU 82 4.864 7.018 1.072
659 2HB LEU 82 HB1 LEU 82 4.116 6.044 -0.194
660 HG LEU 82 HG LEU 82 5.560 4.378 1.706
661 1HD1 LEU 82 HD12 LEU 82 3.669 6.451 2.737
662 2HD1 LEU 82 HD11 LEU 82 3.564 4.827 3.417
663 3HD1 LEU 82 HD13 LEU 82 5.076 5.728 3.517
664 1HD2 LEU 82 HD22 LEU 82 2.706 4.597 0.714
665 2HD2 LEU 82 HD21 LEU 82 3.936 3.441 0.205
666 3HD2 LEU 82 HD23 LEU 82 3.244 3.335 1.823
667 H TRP 83 HN TRP 83 6.192 3.411 -0.783
668 HA TRP 83 HA TRP 83 5.796 4.076 -3.675
669 1HB TRP 83 HB2 TRP 83 6.883 1.407 -3.148
670 2HB TRP 83 HB1 TRP 83 7.445 2.643 -4.270
671 HD1 TRP 83 HD1 TRP 83 7.813 1.496 -0.637
672 HE1 TRP 83 HE1 TRP 83 9.958 2.546 0.342
673 HE3 TRP 83 HE3 TRP 83 9.106 4.596 -4.478
674 HZ2 TRP 83 HZ2 TRP 83 11.958 4.451 -0.411
675 HZ3 TRP 83 HZ3 TRP 83 11.131 6.016 -4.325
676 HH2 TRP 83 HH2 TRP 83 12.557 5.946 -2.298
677 H PHE 84 HN PHE 84 4.333 2.740 -4.840
678 HA PHE 84 HA PHE 84 2.533 1.111 -3.091
679 1HB PHE 84 HB2 PHE 84 2.018 2.857 -5.489
680 2HB PHE 84 HB1 PHE 84 0.902 1.552 -5.088
681 HD1 PHE 84 HD2 PHE 84 2.865 4.051 -3.084
682 HD2 PHE 84 HD1 PHE 84 -0.973 2.326 -3.946
683 HE1 PHE 84 HE2 PHE 84 1.834 5.472 -1.333
684 HE2 PHE 84 HE1 PHE 84 -2.006 3.749 -2.195
685 HZ PHE 84 HZ PHE 84 -0.602 5.320 -0.890
686 H TRP 85 HN TRP 85 3.575 -0.912 -3.395
687 HA TRP 85 HA TRP 85 4.102 -1.798 -6.165
688 1HB TRP 85 HB2 TRP 85 4.594 -3.030 -3.448
689 2HB TRP 85 HB1 TRP 85 4.807 -3.950 -4.936
690 HD1 TRP 85 HD1 TRP 85 6.259 -1.022 -2.975
691 HE1 TRP 85 HE1 TRP 85 8.575 -0.433 -3.944
692 HE3 TRP 85 HE3 TRP 85 6.284 -4.041 -7.094
693 HZ2 TRP 85 HZ2 TRP 85 10.222 -1.151 -6.175
694 HZ3 TRP 85 HZ3 TRP 85 8.234 -4.070 -8.621
695 HH2 TRP 85 HH2 TRP 85 10.201 -2.631 -8.168
696 H LEU 86 HN LEU 86 1.986 -1.927 -7.010
697 HA LEU 86 HA LEU 86 -0.077 -3.476 -5.652
698 1HB LEU 86 HB2 LEU 86 -0.353 -1.479 -7.307
699 2HB LEU 86 HB1 LEU 86 -0.131 -2.691 -8.565
700 HG LEU 86 HG LEU 86 -2.078 -3.902 -7.869
701 1HD1 LEU 86 HD12 LEU 86 -1.991 -2.094 -5.448
702 2HD1 LEU 86 HD11 LEU 86 -3.390 -3.084 -5.855
703 3HD1 LEU 86 HD13 LEU 86 -1.851 -3.852 -5.473
704 1HD2 LEU 86 HD21 LEU 86 -2.209 -1.350 -8.828
705 2HD2 LEU 86 HD23 LEU 86 -3.619 -2.385 -8.606
706 3HD2 LEU 86 HD22 LEU 86 -3.188 -1.204 -7.370
707 H VAL 87 HN VAL 87 -0.040 -5.684 -5.641
708 HA VAL 87 HA VAL 87 1.543 -7.122 -7.639
709 HB VAL 87 HB VAL 87 1.297 -8.977 -6.198
710 1HG1 VAL 87 HG11 VAL 87 2.344 -6.640 -5.308
711 2HG1 VAL 87 HG13 VAL 87 1.145 -6.954 -4.053
712 3HG1 VAL 87 HG12 VAL 87 2.403 -8.143 -4.387
713 1HG2 VAL 87 HG21 VAL 87 -1.268 -7.768 -5.676
714 2HG2 VAL 87 HG23 VAL 87 -0.746 -9.423 -5.363
715 3HG2 VAL 87 HG22 VAL 87 -0.456 -8.165 -4.164
716 H GLU 88 HN GLU 88 0.043 -9.521 -7.764
717 HA GLU 88 HA GLU 88 -2.575 -8.740 -8.905
718 1HB GLU 88 HB2 GLU 88 -0.235 -9.768 -10.474
719 2HB GLU 88 HB1 GLU 88 -1.869 -10.203 -10.974
720 1HG GLU 88 HG2 GLU 88 -2.495 -7.914 -11.263
721 2HG GLU 88 HG1 GLU 88 -1.048 -7.342 -10.431
722 H ARG 89 HN ARG 89 -0.339 -11.373 -7.984
723 HA ARG 89 HA ARG 89 -2.722 -13.009 -7.335
724 1HB ARG 89 HB2 ARG 89 -0.546 -13.801 -9.265
725 2HB ARG 89 HB1 ARG 89 -1.501 -15.008 -8.408
726 1HG ARG 89 HG2 ARG 89 -3.261 -14.709 -9.781
727 2HG ARG 89 HG1 ARG 89 -3.197 -12.959 -9.592
728 1HD ARG 89 HD2 ARG 89 -2.465 -12.872 -11.727
729 2HD ARG 89 HD1 ARG 89 -0.948 -13.544 -11.132
730 HE ARG 89 HE ARG 89 -2.428 -14.909 -12.957
731 1HH1 ARG 89 HH11 ARG 89 -0.440 -15.840 -10.574
732 2HH1 ARG 89 HH12 ARG 89 -1.205 -17.351 -10.208
733 1HH2 ARG 89 HH21 ARG 89 -4.049 -16.663 -12.069
734 2HH2 ARG 89 HH22 ARG 89 -3.249 -17.816 -11.054
735 H TRP 90 HN TRP 90 -2.118 -14.946 -6.037
736 HA TRP 90 HA TRP 90 0.459 -15.447 -5.016
737 1HB TRP 90 HB2 TRP 90 0.520 -14.444 -2.876
738 2HB TRP 90 HB1 TRP 90 0.188 -13.172 -4.013
739 HD1 TRP 90 HD1 TRP 90 -1.121 -14.812 -0.965
740 HE1 TRP 90 HE1 TRP 90 -3.386 -13.794 -0.283
741 HE3 TRP 90 HE3 TRP 90 -2.152 -12.100 -5.181
742 HZ2 TRP 90 HZ2 TRP 90 -5.384 -12.073 -1.399
743 HZ3 TRP 90 HZ3 TRP 90 -4.244 -10.792 -5.334
744 HH2 TRP 90 HH2 TRP 90 -5.859 -10.769 -3.456
745 H GLU 91 HN GLU 91 0.325 -16.686 -2.920
746 HA GLU 91 HA GLU 91 -2.179 -18.314 -2.985
747 1HB GLU 91 HB2 GLU 91 -0.235 -19.496 -3.826
748 2HB GLU 91 HB1 GLU 91 0.662 -19.141 -2.358
749 1HG GLU 91 HG2 GLU 91 -0.808 -20.468 -1.022
750 2HG GLU 91 HG1 GLU 91 -1.969 -20.626 -2.341
751 H GLY 92 HN GLY 92 0.331 -18.796 -0.608
752 1HA GLY 92 HA2 GLY 92 -0.921 -19.182 1.677
753 2HA GLY 92 HA1 GLY 92 0.419 -18.051 1.676
754 H GLU 93 HN GLU 93 -0.033 -15.842 1.738
755 HA GLU 93 HA GLU 93 -2.874 -15.094 2.160
756 1HB GLU 93 HB2 GLU 93 -0.622 -15.010 4.009
757 2HB GLU 93 HB1 GLU 93 -1.337 -13.419 3.779
758 1HG GLU 93 HG2 GLU 93 -3.599 -14.841 4.031
759 2HG GLU 93 HG1 GLU 93 -2.526 -15.876 4.973
760 HA PRO 94 HA PRO 94 -2.596 -11.586 -0.415
761 1HB PRO 94 HB2 PRO 94 -2.430 -9.614 1.675
762 2HB PRO 94 HB1 PRO 94 -3.801 -10.052 0.658
763 1HG PRO 94 HG2 PRO 94 -3.159 -10.920 3.399
764 2HG PRO 94 HG1 PRO 94 -4.724 -10.929 2.576
765 1HD PRO 94 HD2 PRO 94 -3.324 -13.192 3.135
766 2HD PRO 94 HD1 PRO 94 -4.358 -13.064 1.706
767 H TRP 95 HN TRP 95 -0.801 -9.809 1.995
768 HA TRP 95 HA TRP 95 1.821 -10.566 1.494
769 1HB TRP 95 HB2 TRP 95 1.111 -9.941 -0.935
770 2HB TRP 95 HB1 TRP 95 1.267 -8.280 -0.373
771 HD1 TRP 95 HD1 TRP 95 3.530 -10.992 1.024
772 HE1 TRP 95 HE1 TRP 95 5.949 -10.553 0.275
773 HE3 TRP 95 HE3 TRP 95 2.752 -7.182 -2.299
774 HZ2 TRP 95 HZ2 TRP 95 7.374 -8.819 -1.486
775 HZ3 TRP 95 HZ3 TRP 95 4.669 -6.154 -3.492
776 HH2 TRP 95 HH2 TRP 95 6.980 -6.965 -3.084
777 H GLY 96 HN GLY 96 -0.407 -8.028 2.257
778 1HA GLY 96 HA2 GLY 96 1.823 -6.480 3.509
779 2HA GLY 96 HA1 GLY 96 0.255 -5.793 3.107
780 H LYS 97 HN LYS 97 -1.371 -5.940 4.623
781 HA LYS 97 HA LYS 97 -2.188 -6.032 6.818
782 1HB LYS 97 HB2 LYS 97 -2.815 -8.194 5.781
783 2HB LYS 97 HB1 LYS 97 -1.313 -8.889 6.383
784 1HG LYS 97 HG2 LYS 97 -2.420 -7.647 8.609
785 2HG LYS 97 HG1 LYS 97 -3.803 -8.377 7.792
786 1HD LYS 97 HD2 LYS 97 -1.833 -10.340 7.635
787 2HD LYS 97 HD1 LYS 97 -1.625 -9.668 9.252
788 1HE LYS 97 HE2 LYS 97 -4.146 -9.913 9.540
789 2HE LYS 97 HE1 LYS 97 -4.131 -10.869 8.057
790 1HZ LYS 97 HZ2 LYS 97 -2.121 -11.966 9.461
791 2HZ LYS 97 HZ1 LYS 97 -3.207 -11.558 10.701
792 3HZ LYS 97 HZ3 LYS 97 -3.712 -12.564 9.433
793 H GLU 98 HN GLU 98 -0.695 -4.815 8.055
794 HA GLU 98 HA GLU 98 1.475 -6.418 9.353
795 1HB GLU 98 HB2 GLU 98 2.250 -4.500 7.930
796 2HB GLU 98 HB1 GLU 98 1.367 -3.409 9.001
797 1HG GLU 98 HG2 GLU 98 3.349 -3.330 10.128
798 2HG GLU 98 HG1 GLU 98 2.775 -4.844 10.827
799 H GLY 99 HN GLY 99 -0.951 -6.732 10.515
800 1HA GLY 99 HA2 GLY 99 -1.452 -6.691 12.900
801 2HA GLY 99 HA1 GLY 99 -0.666 -5.115 13.000
802 H GLN 100 HN GLN 100 -2.485 -5.096 10.222
803 HA GLN 100 HA GLN 100 -4.849 -3.992 11.673
804 1HB GLN 100 HB2 GLN 100 -3.038 -2.669 9.906
805 2HB GLN 100 HB1 GLN 100 -4.604 -2.783 9.102
806 1HG GLN 100 HG2 GLN 100 -5.687 -1.853 11.140
807 2HG GLN 100 HG1 GLN 100 -4.096 -1.671 11.877
808 1HE2 GLN 100 HE22 GLN 100 -5.404 1.281 9.579
809 2HE2 GLN 100 HE21 GLN 100 -6.393 0.120 10.322
810 HA PRO 101 HA PRO 101 -6.910 -7.161 9.297
811 1HB PRO 101 HB2 PRO 101 -9.434 -5.909 9.900
812 2HB PRO 101 HB1 PRO 101 -8.753 -7.379 10.608
813 1HG PRO 101 HG2 PRO 101 -9.031 -4.804 11.860
814 2HG PRO 101 HG1 PRO 101 -8.313 -6.267 12.547
815 1HD PRO 101 HD2 PRO 101 -6.958 -3.874 11.669
816 2HD PRO 101 HD1 PRO 101 -6.245 -5.337 12.379
817 H GLY 102 HN GLY 102 -6.720 -6.811 7.093
818 1HA GLY 102 HA2 GLY 102 -7.742 -4.280 5.951
819 2HA GLY 102 HA1 GLY 102 -6.755 -5.465 5.097
820 H GLU 103 HN GLU 103 -8.762 -4.745 3.581
821 HA GLU 103 HA GLU 103 -10.714 -6.995 3.897
822 1HB GLU 103 HB2 GLU 103 -11.766 -4.419 2.833
823 2HB GLU 103 HB1 GLU 103 -12.587 -5.674 3.760
824 1HG GLU 103 HG2 GLU 103 -10.475 -3.843 4.922
825 2HG GLU 103 HG1 GLU 103 -12.210 -3.541 5.034
826 H TRP 104 HN TRP 104 -11.862 -7.517 1.908
827 HA TRP 104 HA TRP 104 -10.120 -7.157 -0.471
828 1HB TRP 104 HB2 TRP 104 -12.539 -8.950 -0.070
829 2HB TRP 104 HB1 TRP 104 -11.454 -8.974 -1.458
830 HD1 TRP 104 HD1 TRP 104 -9.247 -8.350 1.289
831 HE1 TRP 104 HE1 TRP 104 -8.181 -10.517 2.194
832 HE3 TRP 104 HE3 TRP 104 -12.331 -11.815 -0.851
833 HZ2 TRP 104 HZ2 TRP 104 -8.584 -13.346 2.031
834 HZ3 TRP 104 HZ3 TRP 104 -11.969 -14.234 -0.459
835 HH2 TRP 104 HH2 TRP 104 -10.100 -15.005 0.978
836 H MET 105 HN MET 105 -10.714 -5.035 -1.151
837 HA MET 105 HA MET 105 -13.542 -4.353 -1.496
838 1HB MET 105 HB2 MET 105 -11.075 -2.933 -1.351
839 2HB MET 105 HB1 MET 105 -11.817 -2.557 -2.907
840 1HG MET 105 HG2 MET 105 -13.210 -1.148 -1.843
841 2HG MET 105 HG1 MET 105 -13.918 -2.540 -1.023
842 1HE MET 105 HE2 MET 105 -10.832 -0.256 -1.119
843 2HE MET 105 HE1 MET 105 -12.197 0.747 -0.632
844 3HE MET 105 HE3 MET 105 -10.854 0.469 0.487
845 H SER 106 HN SER 106 -13.789 -3.137 -3.871
846 HA SER 106 HA SER 106 -13.267 -5.336 -5.825
847 1HB SER 106 HB2 SER 106 -15.641 -4.042 -5.181
848 2HB SER 106 HB1 SER 106 -15.137 -3.245 -6.667
849 HG SER 106 HG SER 106 -15.898 -4.968 -7.596
850 H LEU 107 HN LEU 107 -12.748 -4.617 -8.068
851 HA LEU 107 HA LEU 107 -11.108 -2.124 -7.994
852 1HB LEU 107 HB2 LEU 107 -9.881 -4.240 -8.427
853 2HB LEU 107 HB1 LEU 107 -10.894 -4.518 -9.843
854 HG LEU 107 HG LEU 107 -10.022 -1.951 -10.276
855 1HD1 LEU 107 HD13 LEU 107 -8.020 -3.440 -8.625
856 2HD1 LEU 107 HD12 LEU 107 -7.427 -2.443 -9.953
857 3HD1 LEU 107 HD11 LEU 107 -8.380 -1.714 -8.660
858 1HD2 LEU 107 HD21 LEU 107 -8.737 -4.570 -11.118
859 2HD2 LEU 107 HD23 LEU 107 -10.072 -3.755 -11.933
860 3HD2 LEU 107 HD22 LEU 107 -8.469 -3.018 -11.914
861 H VAL 108 HN VAL 108 -13.841 -1.768 -8.424
862 HA VAL 108 HA VAL 108 -14.091 -1.433 -11.383
863 HB VAL 108 HB VAL 108 -16.252 -1.066 -9.290
864 1HG1 VAL 108 HG12 VAL 108 -16.177 -1.286 -12.301
865 2HG1 VAL 108 HG11 VAL 108 -17.656 -1.585 -11.387
866 3HG1 VAL 108 HG13 VAL 108 -16.879 -0.004 -11.315
867 1HG2 VAL 108 HG21 VAL 108 -15.255 -3.514 -10.728
868 2HG2 VAL 108 HG23 VAL 108 -15.748 -3.341 -9.044
869 3HG2 VAL 108 HG22 VAL 108 -16.965 -3.375 -10.320
870 H GLY 109 HN GLY 109 -12.604 0.239 -9.265
871 1HA GLY 109 HA2 GLY 109 -12.282 2.672 -10.109
872 2HA GLY 109 HA1 GLY 109 -13.997 2.836 -9.715
873 H LEU 110 HN LEU 110 -10.885 1.891 -8.251
874 HA LEU 110 HA LEU 110 -11.549 1.713 -5.594
875 1HB LEU 110 HB2 LEU 110 -9.177 2.422 -7.109
876 2HB LEU 110 HB1 LEU 110 -9.246 3.299 -5.586
877 HG LEU 110 HG LEU 110 -9.433 0.301 -5.958
878 1HD1 LEU 110 HD12 LEU 110 -7.270 2.135 -5.439
879 2HD1 LEU 110 HD11 LEU 110 -7.488 1.069 -4.053
880 3HD1 LEU 110 HD13 LEU 110 -7.207 0.387 -5.656
881 1HD2 LEU 110 HD22 LEU 110 -10.477 2.018 -3.876
882 2HD2 LEU 110 HD21 LEU 110 -10.606 0.267 -4.032
883 3HD2 LEU 110 HD23 LEU 110 -9.210 0.980 -3.225
884 H ASN 111 HN ASN 111 -12.152 3.113 -3.978
885 HA ASN 111 HA ASN 111 -12.969 5.826 -4.826
886 1HB ASN 111 HB2 ASN 111 -14.076 3.900 -3.113
887 2HB ASN 111 HB1 ASN 111 -13.504 5.183 -2.045
888 1HD2 ASN 111 HD22 ASN 111 -15.606 7.670 -3.790
889 2HD2 ASN 111 HD21 ASN 111 -13.975 7.513 -3.342
890 H ALA 112 HN ALA 112 -11.114 7.103 -4.809
891 HA ALA 112 HA ALA 112 -9.044 6.960 -2.827
892 1HB ALA 112 HB2 ALA 112 -8.805 8.070 -5.056
893 2HB ALA 112 HB1 ALA 112 -9.881 9.350 -4.496
894 3HB ALA 112 HB3 ALA 112 -8.316 9.114 -3.720
895 H ASP 113 HN ASP 113 -12.198 8.377 -2.855
896 HA ASP 113 HA ASP 113 -11.807 10.380 -0.843
897 1HB ASP 113 HB2 ASP 113 -13.791 9.826 -2.522
898 2HB ASP 113 HB1 ASP 113 -14.414 8.970 -1.119
899 H ASP 114 HN ASP 114 -12.356 6.929 -0.768
900 HA ASP 114 HA ASP 114 -13.054 6.889 2.066
901 1HB ASP 114 HB2 ASP 114 -13.381 5.099 0.021
902 2HB ASP 114 HB1 ASP 114 -11.971 4.424 0.838
903 H PHE 115 HN PHE 115 -10.216 7.335 0.288
904 HA PHE 115 HA PHE 115 -8.493 6.136 2.396
905 1HB PHE 115 HB2 PHE 115 -8.039 7.168 -0.375
906 2HB PHE 115 HB1 PHE 115 -6.690 7.219 0.762
907 HD1 PHE 115 HD2 PHE 115 -6.432 4.977 2.232
908 HD2 PHE 115 HD1 PHE 115 -8.315 5.228 -1.620
909 HE1 PHE 115 HE2 PHE 115 -6.072 2.550 1.893
910 HE2 PHE 115 HE1 PHE 115 -7.955 2.800 -1.957
911 HZ PHE 115 HZ PHE 115 -6.832 1.462 -0.201
912 HA PRO 116 HA PRO 116 -7.928 9.920 4.481
913 1HB PRO 116 HB2 PRO 116 -5.187 9.484 5.114
914 2HB PRO 116 HB1 PRO 116 -6.582 9.112 6.123
915 1HG PRO 116 HG2 PRO 116 -4.828 7.261 4.813
916 2HG PRO 116 HG1 PRO 116 -6.277 6.893 5.758
917 1HD PRO 116 HD2 PRO 116 -5.923 6.824 2.855
918 2HD PRO 116 HD1 PRO 116 -7.285 6.231 3.819
919 HA PRO 117 HA PRO 117 -6.151 12.715 1.550
920 1HB PRO 117 HB2 PRO 117 -5.767 14.770 3.502
921 2HB PRO 117 HB1 PRO 117 -7.115 14.601 2.369
922 1HG PRO 117 HG2 PRO 117 -7.137 14.170 5.231
923 2HG PRO 117 HG1 PRO 117 -8.494 14.060 4.101
924 1HD PRO 117 HD2 PRO 117 -7.112 11.898 5.409
925 2HD PRO 117 HD1 PRO 117 -8.464 11.791 4.262
926 H ALA 118 HN ALA 118 -4.037 12.280 0.950
927 HA ALA 118 HA ALA 118 -1.792 13.531 1.948
928 1HB ALA 118 HB3 ALA 118 -2.462 11.065 3.529
929 2HB ALA 118 HB2 ALA 118 -0.773 11.503 3.270
930 3HB ALA 118 HB1 ALA 118 -1.858 12.621 4.099
931 H ASN 119 HN ASN 119 -3.169 10.686 0.496
932 HA ASN 119 HA ASN 119 -0.631 10.284 -1.017
933 1HB ASN 119 HB2 ASN 119 -2.404 8.423 0.368
934 2HB ASN 119 HB1 ASN 119 -2.155 7.978 -1.319
935 1HD2 ASN 119 HD22 ASN 119 1.107 8.096 1.187
936 2HD2 ASN 119 HD21 ASN 119 -0.254 9.040 1.552
937 H GLU 120 HN GLU 120 -2.435 12.212 -1.825
938 HA GLU 120 HA GLU 120 -4.405 11.276 -3.677
939 1HB GLU 120 HB2 GLU 120 -3.026 13.943 -3.867
940 2HB GLU 120 HB1 GLU 120 -4.693 13.535 -4.273
941 1HG GLU 120 HG2 GLU 120 -4.922 12.894 -1.769
942 2HG GLU 120 HG1 GLU 120 -3.444 13.831 -1.546
943 HA PRO 121 HA PRO 121 -0.858 12.297 -6.910
944 1HB PRO 121 HB2 PRO 121 1.439 10.914 -5.800
945 2HB PRO 121 HB1 PRO 121 1.305 12.597 -6.326
946 1HG PRO 121 HG2 PRO 121 1.478 11.678 -3.643
947 2HG PRO 121 HG1 PRO 121 1.116 13.325 -4.174
948 1HD PRO 121 HD2 PRO 121 -0.678 11.353 -3.018
949 2HD PRO 121 HD1 PRO 121 -0.994 13.068 -3.345
950 H VAL 122 HN VAL 122 -0.784 9.274 -4.947
951 HA VAL 122 HA VAL 122 -0.726 7.791 -7.530
952 HB VAL 122 HB VAL 122 0.559 7.384 -4.995
953 1HG1 VAL 122 HG12 VAL 122 -1.305 5.153 -5.843
954 2HG1 VAL 122 HG11 VAL 122 0.057 4.935 -4.744
955 3HG1 VAL 122 HG13 VAL 122 -1.284 5.986 -4.289
956 1HG2 VAL 122 HG22 VAL 122 0.966 6.879 -7.692
957 2HG2 VAL 122 HG21 VAL 122 2.047 6.410 -6.379
958 3HG2 VAL 122 HG23 VAL 122 0.848 5.266 -6.986
959 H ILE 123 HN ILE 123 -2.536 8.180 -4.523
960 HA ILE 123 HA ILE 123 -4.512 6.198 -4.881
961 HB ILE 123 HB ILE 123 -4.673 8.978 -3.695
962 1HG1 ILE 123 HG12 ILE 123 -3.169 7.080 -2.737
963 2HG1 ILE 123 HG11 ILE 123 -4.239 7.936 -1.628
964 1HG2 ILE 123 HG23 ILE 123 -6.892 8.118 -4.452
965 2HG2 ILE 123 HG22 ILE 123 -6.660 6.711 -3.415
966 3HG2 ILE 123 HG21 ILE 123 -6.781 8.321 -2.704
967 1HD1 ILE 123 HD13 ILE 123 -5.939 6.125 -1.945
968 2HD1 ILE 123 HD12 ILE 123 -4.770 5.251 -2.933
969 3HD1 ILE 123 HD11 ILE 123 -4.438 5.540 -1.226
970 H ALA 124 HN ALA 124 -4.227 9.463 -6.219
971 HA ALA 124 HA ALA 124 -6.770 9.679 -7.427
972 1HB ALA 124 HB2 ALA 124 -5.051 11.499 -7.346
973 2HB ALA 124 HB1 ALA 124 -4.144 10.646 -8.595
974 3HB ALA 124 HB3 ALA 124 -5.750 11.282 -8.951
975 H LYS 125 HN LYS 125 -3.782 8.234 -8.725
976 HA LYS 125 HA LYS 125 -4.938 7.445 -11.226
977 1HB LYS 125 HB2 LYS 125 -2.431 6.987 -9.765
978 2HB LYS 125 HB1 LYS 125 -2.920 5.621 -10.768
979 1HG LYS 125 HG2 LYS 125 -3.179 8.298 -12.020
980 2HG LYS 125 HG1 LYS 125 -1.531 7.741 -11.729
981 1HD LYS 125 HD2 LYS 125 -2.212 5.545 -12.831
982 2HD LYS 125 HD1 LYS 125 -3.687 6.365 -13.344
983 1HE LYS 125 HE2 LYS 125 -2.129 6.574 -15.156
984 2HE LYS 125 HE1 LYS 125 -2.201 8.152 -14.373
985 1HZ LYS 125 HZ1 LYS 125 -0.260 6.556 -13.104
986 2HZ LYS 125 HZ3 LYS 125 0.034 6.553 -14.775
987 3HZ LYS 125 HZ2 LYS 125 -0.052 8.026 -13.931
988 H LEU 126 HN LEU 126 -4.751 5.901 -8.050
989 HA LEU 126 HA LEU 126 -5.452 3.272 -8.719
990 1HB LEU 126 HB2 LEU 126 -5.713 5.040 -6.377
991 2HB LEU 126 HB1 LEU 126 -6.791 3.658 -6.399
992 HG LEU 126 HG LEU 126 -4.983 2.110 -6.525
993 1HD1 LEU 126 HD12 LEU 126 -3.211 4.527 -7.016
994 2HD1 LEU 126 HD11 LEU 126 -2.635 2.870 -6.825
995 3HD1 LEU 126 HD13 LEU 126 -3.644 3.299 -8.208
996 1HD2 LEU 126 HD23 LEU 126 -4.750 4.341 -4.574
997 2HD2 LEU 126 HD22 LEU 126 -4.959 2.614 -4.288
998 3HD2 LEU 126 HD21 LEU 126 -3.365 3.254 -4.686
999 H LYS 127 HN LYS 127 -7.383 6.185 -8.747
1000 HA LYS 127 HA LYS 127 -9.974 5.070 -8.622
1001 1HB LYS 127 HB2 LYS 127 -8.834 7.459 -10.095
1002 2HB LYS 127 HB1 LYS 127 -10.551 7.107 -10.014
1003 1HG LYS 127 HG2 LYS 127 -10.317 7.055 -7.486
1004 2HG LYS 127 HG1 LYS 127 -8.692 7.699 -7.711
1005 1HD LYS 127 HD2 LYS 127 -10.039 9.450 -9.238
1006 2HD LYS 127 HD1 LYS 127 -11.328 9.025 -8.110
1007 1HE LYS 127 HE2 LYS 127 -10.170 9.852 -6.262
1008 2HE LYS 127 HE1 LYS 127 -8.598 9.669 -7.038
1009 1HZ LYS 127 HZ3 LYS 127 -9.905 11.410 -8.657
1010 2HZ LYS 127 HZ2 LYS 127 -10.425 11.879 -7.109
1011 3HZ LYS 127 HZ1 LYS 127 -8.765 11.832 -7.474
1012 H ARG 128 HN ARG 128 -7.860 5.722 -11.413
1013 HA ARG 128 HA ARG 128 -9.626 4.267 -13.210
1014 1HB ARG 128 HB2 ARG 128 -7.216 5.971 -13.415
1015 2HB ARG 128 HB1 ARG 128 -7.367 4.714 -14.638
1016 1HG ARG 128 HG2 ARG 128 -9.182 5.697 -15.615
1017 2HG ARG 128 HG1 ARG 128 -9.844 6.219 -14.064
1018 1HD ARG 128 HD2 ARG 128 -9.005 8.074 -15.633
1019 2HD ARG 128 HD1 ARG 128 -8.425 8.119 -13.969
1020 HE ARG 128 HE ARG 128 -6.508 6.628 -15.325
1021 1HH1 ARG 128 HH11 ARG 128 -7.513 8.495 -17.580
1022 2HH1 ARG 128 HH12 ARG 128 -6.344 9.767 -17.471
1023 1HH2 ARG 128 HH21 ARG 128 -5.196 8.804 -14.344
1024 2HH2 ARG 128 HH22 ARG 128 -5.029 9.943 -15.638
1025 H LEU 129 HN LEU 129 -7.398 3.337 -10.925
1026 HA LEU 129 HA LEU 129 -5.623 1.522 -11.983
1027 1HB LEU 129 HB2 LEU 129 -6.467 1.952 -9.491
1028 2HB LEU 129 HB1 LEU 129 -7.374 0.475 -9.799
1029 HG LEU 129 HG LEU 129 -4.894 -0.176 -10.785
1030 1HD1 LEU 129 HD13 LEU 129 -4.197 2.095 -9.692
1031 2HD1 LEU 129 HD12 LEU 129 -4.326 1.209 -8.172
1032 3HD1 LEU 129 HD11 LEU 129 -3.191 0.675 -9.410
1033 1HD2 LEU 129 HD21 LEU 129 -6.587 -0.837 -8.551
1034 2HD2 LEU 129 HD23 LEU 129 -5.418 -1.861 -9.384
1035 3HD2 LEU 129 HD22 LEU 129 -4.904 -0.861 -8.026
No H/Q in entry = 1035
Start of MODEL 7
1 1H MET 1 HT3 MET 1 13.226 15.617 5.396
2 2H MET 1 HT2 MET 1 13.497 15.190 7.018
3 3H MET 1 HT1 MET 1 13.072 16.786 6.617
4 HA MET 1 HA MET 1 15.142 17.351 5.992
5 1HB MET 1 HB2 MET 1 15.427 14.949 7.796
6 2HB MET 1 HB1 MET 1 16.846 15.834 7.236
7 1HG MET 1 HG2 MET 1 16.361 17.681 8.500
8 2HG MET 1 HG1 MET 1 14.620 17.481 8.309
9 1HE MET 1 HE2 MET 1 13.467 15.511 8.990
10 2HE MET 1 HE1 MET 1 13.649 14.660 10.522
11 3HE MET 1 HE3 MET 1 13.094 16.338 10.500
12 H LYS 2 HN LYS 2 16.405 14.108 6.122
13 HA LYS 2 HA LYS 2 17.402 14.292 3.420
14 1HB LYS 2 HB2 LYS 2 18.625 13.032 5.128
15 2HB LYS 2 HB1 LYS 2 17.263 11.925 5.301
16 1HG LYS 2 HG2 LYS 2 18.509 10.709 3.790
17 2HG LYS 2 HG1 LYS 2 17.613 11.714 2.650
18 1HD LYS 2 HD2 LYS 2 19.432 13.140 2.272
19 2HD LYS 2 HD1 LYS 2 20.220 12.693 3.786
20 1HE LYS 2 HE2 LYS 2 19.796 10.675 1.583
21 2HE LYS 2 HE1 LYS 2 21.214 11.724 1.609
22 1HZ LYS 2 HZ2 LYS 2 21.698 10.916 3.852
23 2HZ LYS 2 HZ1 LYS 2 20.370 9.860 3.761
24 3HZ LYS 2 HZ3 LYS 2 21.691 9.653 2.717
25 H LYS 3 HN LYS 3 15.612 11.500 4.576
26 HA LYS 3 HA LYS 3 13.249 11.828 3.054
27 1HB LYS 3 HB2 LYS 3 15.568 11.177 1.463
28 2HB LYS 3 HB1 LYS 3 14.409 9.850 1.397
29 1HG LYS 3 HG2 LYS 3 12.977 11.049 0.131
30 2HG LYS 3 HG1 LYS 3 13.090 12.442 1.207
31 1HD LYS 3 HD2 LYS 3 15.572 12.384 -0.055
32 2HD LYS 3 HD1 LYS 3 14.438 11.958 -1.338
33 1HE LYS 3 HE2 LYS 3 13.040 13.967 -0.332
34 2HE LYS 3 HE1 LYS 3 14.615 14.479 0.272
35 1HZ LYS 3 HZ2 LYS 3 15.223 13.851 -2.241
36 2HZ LYS 3 HZ1 LYS 3 13.621 14.372 -2.451
37 3HZ LYS 3 HZ3 LYS 3 14.763 15.412 -1.750
38 H LEU 4 HN LEU 4 11.946 10.478 4.182
39 HA LEU 4 HA LEU 4 13.079 7.957 5.279
40 1HB LEU 4 HB2 LEU 4 11.753 9.606 6.718
41 2HB LEU 4 HB1 LEU 4 10.330 9.114 5.801
42 HG LEU 4 HG LEU 4 10.555 6.831 6.527
43 1HD1 LEU 4 HD12 LEU 4 13.226 7.780 7.570
44 2HD1 LEU 4 HD11 LEU 4 12.475 6.298 8.157
45 3HD1 LEU 4 HD13 LEU 4 12.900 6.454 6.454
46 1HD2 LEU 4 HD23 LEU 4 10.395 9.038 8.399
47 2HD2 LEU 4 HD22 LEU 4 9.508 7.515 8.404
48 3HD2 LEU 4 HD21 LEU 4 11.088 7.618 9.180
49 H GLN 5 HN GLN 5 11.871 5.924 4.936
50 HA GLN 5 HA GLN 5 9.902 5.997 2.715
51 1HB GLN 5 HB2 GLN 5 12.590 4.650 2.640
52 2HB GLN 5 HB1 GLN 5 11.243 4.013 1.698
53 1HG GLN 5 HG2 GLN 5 11.480 5.635 0.154
54 2HG GLN 5 HG1 GLN 5 11.426 6.887 1.394
55 1HE2 GLN 5 HE22 GLN 5 15.030 5.647 -0.064
56 2HE2 GLN 5 HE21 GLN 5 13.599 4.853 -0.518
57 H ILE 6 HN ILE 6 8.255 4.609 3.127
58 HA ILE 6 HA ILE 6 8.638 2.534 5.220
59 HB ILE 6 HB ILE 6 5.972 3.344 4.085
60 1HG1 ILE 6 HG12 ILE 6 7.168 5.455 4.579
61 2HG1 ILE 6 HG11 ILE 6 5.876 5.173 5.749
62 1HG2 ILE 6 HG22 ILE 6 6.882 1.645 6.113
63 2HG2 ILE 6 HG21 ILE 6 6.272 3.070 6.957
64 3HG2 ILE 6 HG23 ILE 6 5.221 2.180 5.856
65 1HD1 ILE 6 HD12 ILE 6 7.576 4.133 7.280
66 2HD1 ILE 6 HD11 ILE 6 8.831 4.623 6.142
67 3HD1 ILE 6 HD13 ILE 6 7.864 5.845 6.968
68 H ALA 7 HN ALA 7 6.475 0.846 4.449
69 HA ALA 7 HA ALA 7 7.111 0.047 1.659
70 1HB ALA 7 HB3 ALA 7 7.391 -1.797 4.048
71 2HB ALA 7 HB2 ALA 7 7.520 -2.291 2.361
72 3HB ALA 7 HB1 ALA 7 8.712 -1.189 3.050
73 H VAL 8 HN VAL 8 5.154 -0.190 0.689
74 HA VAL 8 HA VAL 8 2.995 -1.618 2.202
75 HB VAL 8 HB VAL 8 2.350 0.726 2.230
76 1HG1 VAL 8 HG12 VAL 8 3.931 1.229 0.234
77 2HG1 VAL 8 HG11 VAL 8 2.555 0.786 -0.777
78 3HG1 VAL 8 HG13 VAL 8 2.426 2.142 0.342
79 1HG2 VAL 8 HG22 VAL 8 0.662 -1.081 1.528
80 2HG2 VAL 8 HG21 VAL 8 0.246 0.579 1.098
81 3HG2 VAL 8 HG23 VAL 8 0.900 -0.510 -0.125
82 H GLY 9 HN GLY 9 2.183 -3.277 1.017
83 1HA GLY 9 HA2 GLY 9 2.696 -3.236 -1.928
84 2HA GLY 9 HA1 GLY 9 2.721 -4.721 -0.975
85 H ILE 10 HN ILE 10 0.834 -2.985 -3.032
86 HA ILE 10 HA ILE 10 -1.700 -3.642 -1.661
87 HB ILE 10 HB ILE 10 -1.680 -2.387 -4.363
88 1HG1 ILE 10 HG12 ILE 10 -1.051 -0.719 -1.907
89 2HG1 ILE 10 HG11 ILE 10 0.223 -1.319 -2.960
90 1HG2 ILE 10 HG22 ILE 10 -3.535 -2.890 -2.412
91 2HG2 ILE 10 HG21 ILE 10 -3.123 -1.205 -2.089
92 3HG2 ILE 10 HG23 ILE 10 -3.720 -1.679 -3.680
93 1HD1 ILE 10 HD11 ILE 10 -2.047 -0.036 -4.342
94 2HD1 ILE 10 HD13 ILE 10 -1.037 1.035 -3.372
95 3HD1 ILE 10 HD12 ILE 10 -0.318 0.076 -4.665
96 H ILE 11 HN ILE 11 -3.355 -4.827 -2.907
97 HA ILE 11 HA ILE 11 -2.393 -6.411 -5.209
98 HB ILE 11 HB ILE 11 -3.515 -8.135 -3.099
99 1HG1 ILE 11 HG12 ILE 11 -0.798 -6.832 -2.740
100 2HG1 ILE 11 HG11 ILE 11 -2.189 -6.678 -1.671
101 1HG2 ILE 11 HG21 ILE 11 -2.147 -8.510 -5.435
102 2HG2 ILE 11 HG23 ILE 11 -0.833 -8.636 -4.265
103 3HG2 ILE 11 HG22 ILE 11 -2.224 -9.713 -4.147
104 1HD1 ILE 11 HD11 ILE 11 -1.478 -9.464 -2.203
105 2HD1 ILE 11 HD13 ILE 11 -0.173 -8.566 -1.427
106 3HD1 ILE 11 HD12 ILE 11 -1.759 -8.656 -0.661
107 H ARG 12 HN ARG 12 -4.153 -7.285 -6.385
108 HA ARG 12 HA ARG 12 -6.870 -7.165 -5.271
109 1HB ARG 12 HB2 ARG 12 -6.391 -4.819 -6.009
110 2HB ARG 12 HB1 ARG 12 -6.153 -5.425 -7.643
111 1HG ARG 12 HG2 ARG 12 -8.515 -6.525 -7.276
112 2HG ARG 12 HG1 ARG 12 -8.686 -5.284 -6.034
113 1HD ARG 12 HD2 ARG 12 -9.543 -4.247 -7.975
114 2HD ARG 12 HD1 ARG 12 -7.893 -3.631 -7.868
115 HE ARG 12 HE ARG 12 -7.656 -5.902 -9.444
116 1HH1 ARG 12 HH11 ARG 12 -10.296 -5.648 -10.556
117 2HH1 ARG 12 HH12 ARG 12 -10.126 -4.457 -11.802
118 1HH2 ARG 12 HH21 ARG 12 -7.111 -3.238 -10.594
119 2HH2 ARG 12 HH22 ARG 12 -8.322 -3.092 -11.824
120 H ASN 13 HN ASN 13 -6.719 -9.470 -5.877
121 HA ASN 13 HA ASN 13 -7.670 -9.918 -8.608
122 1HB ASN 13 HB2 ASN 13 -5.062 -11.140 -7.694
123 2HB ASN 13 HB1 ASN 13 -5.915 -11.566 -9.174
124 1HD2 ASN 13 HD22 ASN 13 -3.952 -7.961 -8.991
125 2HD2 ASN 13 HD21 ASN 13 -4.299 -8.791 -7.554
126 H GLU 14 HN GLU 14 -7.791 -12.474 -8.892
127 HA GLU 14 HA GLU 14 -8.470 -14.562 -8.031
128 1HB GLU 14 HB2 GLU 14 -8.392 -13.372 -5.262
129 2HB GLU 14 HB1 GLU 14 -8.291 -15.065 -5.724
130 1HG GLU 14 HG2 GLU 14 -6.209 -13.532 -7.032
131 2HG GLU 14 HG1 GLU 14 -6.135 -13.319 -5.282
132 H ASN 15 HN ASN 15 -9.766 -12.204 -5.778
133 HA ASN 15 HA ASN 15 -12.511 -12.998 -6.658
134 1HB ASN 15 HB2 ASN 15 -11.774 -13.350 -4.202
135 2HB ASN 15 HB1 ASN 15 -11.864 -11.592 -4.064
136 1HD2 ASN 15 HD22 ASN 15 -15.218 -13.132 -3.228
137 2HD2 ASN 15 HD21 ASN 15 -13.648 -13.414 -2.649
138 H ASN 16 HN ASN 16 -10.563 -10.943 -7.732
139 HA ASN 16 HA ASN 16 -10.598 -8.705 -8.450
140 1HB ASN 16 HB2 ASN 16 -12.512 -9.487 -9.705
141 2HB ASN 16 HB1 ASN 16 -13.545 -9.370 -8.283
142 1HD2 ASN 16 HD22 ASN 16 -12.493 -5.933 -10.281
143 2HD2 ASN 16 HD21 ASN 16 -11.573 -7.343 -10.502
144 H GLU 17 HN GLU 17 -10.094 -8.891 -5.752
145 HA GLU 17 HA GLU 17 -11.468 -6.449 -4.732
146 1HB GLU 17 HB2 GLU 17 -10.964 -8.860 -2.968
147 2HB GLU 17 HB1 GLU 17 -11.903 -7.417 -2.585
148 1HG GLU 17 HG2 GLU 17 -13.165 -8.296 -4.854
149 2HG GLU 17 HG1 GLU 17 -12.684 -9.819 -4.106
150 H ILE 18 HN ILE 18 -10.074 -5.192 -3.359
151 HA ILE 18 HA ILE 18 -7.235 -5.984 -3.616
152 HB ILE 18 HB ILE 18 -8.043 -3.381 -2.412
153 1HG1 ILE 18 HG12 ILE 18 -7.938 -3.704 -5.408
154 2HG1 ILE 18 HG11 ILE 18 -9.459 -3.905 -4.538
155 1HG2 ILE 18 HG22 ILE 18 -5.652 -4.200 -2.742
156 2HG2 ILE 18 HG21 ILE 18 -5.923 -3.995 -4.468
157 3HG2 ILE 18 HG23 ILE 18 -6.020 -2.604 -3.393
158 1HD1 ILE 18 HD11 ILE 18 -8.924 -1.632 -3.443
159 2HD1 ILE 18 HD13 ILE 18 -7.722 -1.445 -4.721
160 3HD1 ILE 18 HD12 ILE 18 -9.429 -1.614 -5.133
161 H PHE 19 HN PHE 19 -5.812 -5.954 -1.820
162 HA PHE 19 HA PHE 19 -7.179 -6.421 0.794
163 1HB PHE 19 HB2 PHE 19 -5.667 -8.231 0.139
164 2HB PHE 19 HB1 PHE 19 -4.363 -7.076 -0.148
165 HD1 PHE 19 HD1 PHE 19 -6.771 -8.076 2.548
166 HD2 PHE 19 HD2 PHE 19 -2.825 -6.682 1.576
167 HE1 PHE 19 HE1 PHE 19 -6.138 -8.200 4.941
168 HE2 PHE 19 HE2 PHE 19 -2.193 -6.808 3.972
169 HZ PHE 19 HZ PHE 19 -3.849 -7.568 5.654
170 H ILE 20 HN ILE 20 -7.496 -4.034 0.876
171 HA ILE 20 HA ILE 20 -5.172 -2.323 0.985
172 HB ILE 20 HB ILE 20 -7.559 -1.753 0.259
173 1HG1 ILE 20 HG12 ILE 20 -7.271 0.497 0.660
174 2HG1 ILE 20 HG11 ILE 20 -6.641 0.232 2.281
175 1HG2 ILE 20 HG21 ILE 20 -7.890 -1.585 3.253
176 2HG2 ILE 20 HG23 ILE 20 -9.035 -0.929 2.083
177 3HG2 ILE 20 HG22 ILE 20 -8.753 -2.668 2.162
178 1HD1 ILE 20 HD11 ILE 20 -5.194 -0.522 -0.270
179 2HD1 ILE 20 HD13 ILE 20 -4.880 0.944 0.655
180 3HD1 ILE 20 HD12 ILE 20 -4.549 -0.634 1.365
181 H THR 21 HN THR 21 -5.306 -0.723 2.972
182 HA THR 21 HA THR 21 -5.183 -2.404 5.428
183 HB THR 21 HB THR 21 -3.764 -0.033 5.887
184 HG1 THR 21 HG1 THR 21 -3.792 0.234 3.594
185 1HG2 THR 21 HG21 THR 21 -3.291 -2.405 6.628
186 2HG2 THR 21 HG23 THR 21 -2.606 -2.690 5.029
187 3HG2 THR 21 HG22 THR 21 -1.871 -1.499 6.103
188 H ARG 22 HN ARG 22 -6.401 -1.680 7.177
189 HA ARG 22 HA ARG 22 -7.782 0.945 6.820
190 1HB ARG 22 HB2 ARG 22 -8.905 -1.683 6.962
191 2HB ARG 22 HB1 ARG 22 -9.385 -0.796 8.408
192 1HG ARG 22 HG2 ARG 22 -9.969 1.136 6.815
193 2HG ARG 22 HG1 ARG 22 -9.830 -0.045 5.518
194 1HD ARG 22 HD2 ARG 22 -12.016 0.387 7.376
195 2HD ARG 22 HD1 ARG 22 -11.979 -0.601 5.918
196 HE ARG 22 HE ARG 22 -10.691 -2.208 7.723
197 1HH1 ARG 22 HH11 ARG 22 -13.755 -0.726 7.323
198 2HH1 ARG 22 HH12 ARG 22 -14.529 -1.669 8.552
199 1HH2 ARG 22 HH21 ARG 22 -11.622 -3.297 9.510
200 2HH2 ARG 22 HH22 ARG 22 -13.322 -3.124 9.791
201 H ARG 23 HN ARG 23 -7.681 2.285 8.571
202 HA ARG 23 HA ARG 23 -5.884 1.965 10.652
203 1HB ARG 23 HB2 ARG 23 -7.396 3.668 11.826
204 2HB ARG 23 HB1 ARG 23 -6.758 4.128 10.259
205 1HG ARG 23 HG2 ARG 23 -8.904 4.541 9.672
206 2HG ARG 23 HG1 ARG 23 -9.116 2.792 9.636
207 1HD ARG 23 HD2 ARG 23 -9.352 3.297 12.311
208 2HD ARG 23 HD1 ARG 23 -10.060 4.758 11.622
209 HE ARG 23 HE ARG 23 -11.498 2.436 11.812
210 1HH1 ARG 23 HH11 ARG 23 -11.363 4.966 9.701
211 2HH1 ARG 23 HH12 ARG 23 -12.043 4.131 8.345
212 1HH2 ARG 23 HH21 ARG 23 -11.865 1.009 9.834
213 2HH2 ARG 23 HH22 ARG 23 -12.326 1.895 8.419
214 H ALA 24 HN ALA 24 -5.916 0.088 11.848
215 HA ALA 24 HA ALA 24 -6.745 -1.605 13.262
216 1HB ALA 24 HB1 ALA 24 -6.852 0.802 14.499
217 2HB ALA 24 HB3 ALA 24 -8.551 0.341 14.585
218 3HB ALA 24 HB2 ALA 24 -7.319 -0.707 15.286
219 H ALA 25 HN ALA 25 -9.348 -1.594 14.576
220 HA ALA 25 HA ALA 25 -10.914 -2.722 12.366
221 1HB ALA 25 HB3 ALA 25 -10.762 -3.082 15.199
222 2HB ALA 25 HB2 ALA 25 -12.418 -2.636 14.792
223 3HB ALA 25 HB1 ALA 25 -11.670 -4.036 14.027
224 H ASP 26 HN ASP 26 -12.185 -0.730 15.032
225 HA ASP 26 HA ASP 26 -14.008 0.579 13.143
226 1HB ASP 26 HB2 ASP 26 -15.085 1.498 15.058
227 2HB ASP 26 HB1 ASP 26 -14.601 -0.130 15.534
228 H ALA 27 HN ALA 27 -14.229 3.052 13.333
229 HA ALA 27 HA ALA 27 -11.484 4.246 13.351
230 1HB ALA 27 HB1 ALA 27 -13.156 4.112 11.218
231 2HB ALA 27 HB3 ALA 27 -13.674 5.646 11.920
232 3HB ALA 27 HB2 ALA 27 -11.989 5.414 11.450
233 H HIS 28 HN HIS 28 -11.465 6.605 13.941
234 HA HIS 28 HA HIS 28 -13.273 7.045 16.245
235 1HB HIS 28 HB2 HIS 28 -10.763 8.450 15.297
236 2HB HIS 28 HB1 HIS 28 -11.725 9.011 16.665
237 HD1 HIS 28 HD1 HIS 28 -10.071 8.422 18.522
238 HD2 HIS 28 HD2 HIS 28 -10.959 5.178 16.060
239 HE1 HIS 28 HE1 HIS 28 -9.083 6.377 19.646
240 H MET 29 HN MET 29 -15.032 7.335 14.483
241 HA MET 29 HA MET 29 -16.488 8.783 13.345
242 1HB MET 29 HB2 MET 29 -15.012 11.017 14.750
243 2HB MET 29 HB1 MET 29 -16.696 10.989 14.227
244 1HG MET 29 HG2 MET 29 -17.247 9.307 15.880
245 2HG MET 29 HG1 MET 29 -15.550 9.123 16.321
246 1HE MET 29 HE2 MET 29 -18.711 10.308 17.196
247 2HE MET 29 HE1 MET 29 -17.780 9.705 18.564
248 3HE MET 29 HE3 MET 29 -18.410 11.358 18.578
249 H ALA 30 HN ALA 30 -14.720 8.017 11.597
250 HA ALA 30 HA ALA 30 -14.451 10.039 9.684
251 1HB ALA 30 HB3 ALA 30 -12.448 10.231 11.781
252 2HB ALA 30 HB2 ALA 30 -11.695 9.953 10.211
253 3HB ALA 30 HB1 ALA 30 -12.766 11.334 10.441
254 H ASN 31 HN ASN 31 -14.460 8.693 7.946
255 HA ASN 31 HA ASN 31 -13.281 6.029 8.078
256 1HB ASN 31 HB2 ASN 31 -14.441 7.577 5.738
257 2HB ASN 31 HB1 ASN 31 -14.006 5.867 5.708
258 1HD2 ASN 31 HD22 ASN 31 -16.700 4.995 8.030
259 2HD2 ASN 31 HD21 ASN 31 -15.053 4.661 7.798
260 H LYS 32 HN LYS 32 -11.153 5.637 7.735
261 HA LYS 32 HA LYS 32 -9.716 7.207 5.678
262 1HB LYS 32 HB2 LYS 32 -8.865 6.995 8.579
263 2HB LYS 32 HB1 LYS 32 -7.790 7.522 7.283
264 1HG LYS 32 HG2 LYS 32 -10.469 8.844 7.681
265 2HG LYS 32 HG1 LYS 32 -9.071 9.341 8.634
266 1HD LYS 32 HD2 LYS 32 -8.268 9.112 5.890
267 2HD LYS 32 HD1 LYS 32 -9.722 10.107 5.972
268 1HE LYS 32 HE2 LYS 32 -8.005 10.851 8.139
269 2HE LYS 32 HE1 LYS 32 -7.053 10.847 6.655
270 1HZ LYS 32 HZ3 LYS 32 -9.353 12.009 5.872
271 2HZ LYS 32 HZ2 LYS 32 -9.199 12.592 7.461
272 3HZ LYS 32 HZ1 LYS 32 -7.954 12.849 6.333
273 H LEU 33 HN LEU 33 -8.533 5.814 4.466
274 HA LEU 33 HA LEU 33 -8.105 3.059 5.448
275 1HB LEU 33 HB2 LEU 33 -7.883 4.418 2.760
276 2HB LEU 33 HB1 LEU 33 -7.312 2.787 3.034
277 HG LEU 33 HG LEU 33 -10.129 3.829 3.105
278 1HD1 LEU 33 HD11 LEU 33 -8.853 2.623 1.135
279 2HD1 LEU 33 HD13 LEU 33 -9.225 1.169 2.061
280 3HD1 LEU 33 HD12 LEU 33 -10.530 2.209 1.490
281 1HD2 LEU 33 HD21 LEU 33 -9.038 1.387 4.526
282 2HD2 LEU 33 HD23 LEU 33 -10.013 2.688 5.210
283 3HD2 LEU 33 HD22 LEU 33 -10.736 1.546 4.076
284 H GLU 34 HN GLU 34 -5.767 2.420 4.042
285 HA GLU 34 HA GLU 34 -3.777 4.420 4.832
286 1HB GLU 34 HB2 GLU 34 -4.390 2.502 6.665
287 2HB GLU 34 HB1 GLU 34 -3.079 1.727 5.789
288 1HG GLU 34 HG2 GLU 34 -1.565 3.064 6.763
289 2HG GLU 34 HG1 GLU 34 -2.451 4.505 6.261
290 H PHE 35 HN PHE 35 -1.566 2.817 4.656
291 HA PHE 35 HA PHE 35 -1.629 1.224 2.227
292 1HB PHE 35 HB2 PHE 35 -0.816 4.086 2.141
293 2HB PHE 35 HB1 PHE 35 0.182 2.943 1.242
294 HD1 PHE 35 HD1 PHE 35 -1.319 1.074 -0.051
295 HD2 PHE 35 HD2 PHE 35 -2.569 5.059 0.963
296 HE1 PHE 35 HE1 PHE 35 -3.019 0.999 -1.855
297 HE2 PHE 35 HE2 PHE 35 -4.270 4.982 -0.841
298 HZ PHE 35 HZ PHE 35 -4.490 2.953 -2.251
299 HA PRO 36 HA PRO 36 3.048 1.878 3.622
300 1HB PRO 36 HB2 PRO 36 2.581 2.943 6.318
301 2HB PRO 36 HB1 PRO 36 3.723 3.484 5.081
302 1HG PRO 36 HG2 PRO 36 1.245 4.735 5.778
303 2HG PRO 36 HG1 PRO 36 2.321 5.174 4.443
304 1HD PRO 36 HD2 PRO 36 -0.277 4.002 4.234
305 2HD PRO 36 HD1 PRO 36 0.874 4.285 2.915
306 H GLY 37 HN GLY 37 4.076 0.275 4.910
307 1HA GLY 37 HA2 GLY 37 2.162 -1.539 6.295
308 2HA GLY 37 HA1 GLY 37 3.607 -2.080 5.455
309 H GLY 38 HN GLY 38 5.643 -1.687 6.445
310 1HA GLY 38 HA2 GLY 38 5.455 -1.141 9.380
311 2HA GLY 38 HA1 GLY 38 6.575 -2.314 8.686
312 H LYS 39 HN LYS 39 7.962 -1.172 6.801
313 HA LYS 39 HA LYS 39 8.593 1.558 6.875
314 1HB LYS 39 HB2 LYS 39 9.228 0.372 9.325
315 2HB LYS 39 HB1 LYS 39 10.771 0.481 8.478
316 1HG LYS 39 HG2 LYS 39 10.651 2.810 8.289
317 2HG LYS 39 HG1 LYS 39 8.901 2.836 8.512
318 1HD LYS 39 HD2 LYS 39 9.210 3.202 10.708
319 2HD LYS 39 HD1 LYS 39 10.010 1.635 10.833
320 1HE LYS 39 HE2 LYS 39 12.069 2.572 10.952
321 2HE LYS 39 HE1 LYS 39 11.715 3.716 9.657
322 1HZ LYS 39 HZ3 LYS 39 10.434 4.081 12.272
323 2HZ LYS 39 HZ2 LYS 39 12.058 4.543 12.084
324 3HZ LYS 39 HZ1 LYS 39 10.855 5.239 11.108
325 H ILE 40 HN ILE 40 11.023 1.898 6.247
326 HA ILE 40 HA ILE 40 12.169 -0.433 4.820
327 HB ILE 40 HB ILE 40 10.674 1.680 3.534
328 1HG1 ILE 40 HG12 ILE 40 12.217 -0.734 2.556
329 2HG1 ILE 40 HG11 ILE 40 10.492 -0.646 2.914
330 1HG2 ILE 40 HG23 ILE 40 13.617 1.533 2.832
331 2HG2 ILE 40 HG22 ILE 40 12.393 2.175 1.738
332 3HG2 ILE 40 HG21 ILE 40 12.690 2.961 3.285
333 1HD1 ILE 40 HD11 ILE 40 11.048 1.449 1.086
334 2HD1 ILE 40 HD13 ILE 40 11.850 0.008 0.462
335 3HD1 ILE 40 HD12 ILE 40 10.116 -0.019 0.786
336 H GLU 41 HN GLU 41 14.067 -0.408 5.998
337 HA GLU 41 HA GLU 41 15.622 2.144 5.952
338 1HB GLU 41 HB2 GLU 41 16.598 1.265 8.180
339 2HB GLU 41 HB1 GLU 41 14.973 1.949 8.218
340 1HG GLU 41 HG2 GLU 41 14.049 -0.026 8.803
341 2HG GLU 41 HG1 GLU 41 14.956 -0.901 7.570
342 H MET 42 HN MET 42 15.490 -1.024 4.942
343 HA MET 42 HA MET 42 18.075 -2.059 5.353
344 1HB MET 42 HB2 MET 42 16.078 -2.314 3.120
345 2HB MET 42 HB1 MET 42 17.686 -3.015 2.928
346 1HG MET 42 HG2 MET 42 16.342 -4.751 3.866
347 2HG MET 42 HG1 MET 42 17.314 -4.129 5.201
348 1HE MET 42 HE2 MET 42 15.369 -5.837 5.710
349 2HE MET 42 HE1 MET 42 14.159 -5.216 6.829
350 3HE MET 42 HE3 MET 42 13.741 -5.495 5.132
351 H GLY 43 HN GLY 43 17.002 0.562 3.305
352 1HA GLY 43 HA2 GLY 43 18.217 2.075 1.984
353 2HA GLY 43 HA1 GLY 43 19.603 1.646 2.983
354 H GLU 44 HN GLU 44 18.118 -0.995 1.443
355 HA GLU 44 HA GLU 44 20.489 -1.364 -0.253
356 1HB GLU 44 HB2 GLU 44 18.047 -3.128 0.098
357 2HB GLU 44 HB1 GLU 44 19.552 -3.586 -0.700
358 1HG GLU 44 HG2 GLU 44 19.619 -2.554 2.121
359 2HG GLU 44 HG1 GLU 44 19.181 -4.236 1.817
360 H THR 45 HN THR 45 17.127 -2.134 -1.170
361 HA THR 45 HA THR 45 17.281 -0.167 -3.364
362 HB THR 45 HB THR 45 16.370 -2.601 -4.541
363 HG1 THR 45 HG1 THR 45 17.689 -3.493 -2.812
364 1HG2 THR 45 HG23 THR 45 17.945 -0.370 -5.144
365 2HG2 THR 45 HG22 THR 45 19.040 -1.743 -5.310
366 3HG2 THR 45 HG21 THR 45 17.541 -1.692 -6.238
367 HA PRO 46 HA PRO 46 12.941 -0.003 -3.070
368 1HB PRO 46 HB2 PRO 46 12.191 -0.346 -5.780
369 2HB PRO 46 HB1 PRO 46 12.604 1.180 -4.987
370 1HG PRO 46 HG2 PRO 46 14.144 -0.267 -6.974
371 2HG PRO 46 HG1 PRO 46 14.508 1.298 -6.242
372 1HD PRO 46 HD2 PRO 46 15.739 -1.259 -5.697
373 2HD PRO 46 HD1 PRO 46 16.176 0.336 -5.047
374 H GLU 47 HN GLU 47 13.908 -2.675 -5.232
375 HA GLU 47 HA GLU 47 11.414 -4.133 -4.697
376 1HB GLU 47 HB2 GLU 47 13.609 -4.283 -6.598
377 2HB GLU 47 HB1 GLU 47 13.246 -5.868 -5.918
378 1HG GLU 47 HG2 GLU 47 10.842 -4.331 -6.594
379 2HG GLU 47 HG1 GLU 47 11.862 -4.672 -7.992
380 H GLN 48 HN GLN 48 14.869 -4.705 -4.110
381 HA GLN 48 HA GLN 48 14.883 -7.002 -2.652
382 1HB GLN 48 HB2 GLN 48 16.659 -5.003 -3.214
383 2HB GLN 48 HB1 GLN 48 16.476 -4.843 -1.467
384 1HG GLN 48 HG2 GLN 48 17.103 -7.055 -1.077
385 2HG GLN 48 HG1 GLN 48 16.873 -7.505 -2.766
386 1HE2 GLN 48 HE22 GLN 48 19.988 -5.946 -3.811
387 2HE2 GLN 48 HE21 GLN 48 18.388 -6.169 -4.336
388 H ALA 49 HN ALA 49 13.804 -3.903 -1.728
389 HA ALA 49 HA ALA 49 13.680 -4.451 1.077
390 1HB ALA 49 HB3 ALA 49 13.272 -2.184 -0.543
391 2HB ALA 49 HB2 ALA 49 11.758 -2.440 0.326
392 3HB ALA 49 HB1 ALA 49 13.265 -2.249 1.220
393 H VAL 50 HN VAL 50 11.002 -4.075 -1.278
394 HA VAL 50 HA VAL 50 9.125 -5.359 0.565
395 HB VAL 50 HB VAL 50 8.815 -3.506 -1.308
396 1HG1 VAL 50 HG11 VAL 50 9.326 -5.477 -3.018
397 2HG1 VAL 50 HG13 VAL 50 7.612 -5.819 -2.776
398 3HG1 VAL 50 HG12 VAL 50 8.119 -4.249 -3.399
399 1HG2 VAL 50 HG23 VAL 50 7.163 -5.052 0.319
400 2HG2 VAL 50 HG22 VAL 50 6.715 -3.567 -0.521
401 3HG2 VAL 50 HG21 VAL 50 6.420 -5.133 -1.277
402 H VAL 51 HN VAL 51 11.421 -6.592 -1.463
403 HA VAL 51 HA VAL 51 9.878 -8.853 -2.501
404 HB VAL 51 HB VAL 51 11.959 -7.729 -3.585
405 1HG1 VAL 51 HG12 VAL 51 13.293 -9.490 -1.516
406 2HG1 VAL 51 HG11 VAL 51 14.111 -8.692 -2.860
407 3HG1 VAL 51 HG13 VAL 51 13.363 -7.736 -1.592
408 1HG2 VAL 51 HG21 VAL 51 10.875 -9.984 -4.132
409 2HG2 VAL 51 HG23 VAL 51 12.535 -9.725 -4.667
410 3HG2 VAL 51 HG22 VAL 51 12.214 -10.696 -3.229
411 H ARG 52 HN ARG 52 12.309 -8.109 -0.138
412 HA ARG 52 HA ARG 52 12.403 -10.676 1.141
413 1HB ARG 52 HB2 ARG 52 13.604 -8.043 1.382
414 2HB ARG 52 HB1 ARG 52 13.138 -8.664 2.960
415 1HG ARG 52 HG2 ARG 52 14.515 -10.492 1.048
416 2HG ARG 52 HG1 ARG 52 15.484 -9.289 1.899
417 1HD ARG 52 HD2 ARG 52 15.508 -10.636 3.703
418 2HD ARG 52 HD1 ARG 52 13.761 -10.427 3.835
419 HE ARG 52 HE ARG 52 14.039 -12.393 1.907
420 1HH1 ARG 52 HH21 ARG 52 14.250 -11.972 5.264
421 2HH1 ARG 52 HH22 ARG 52 14.724 -13.604 5.602
422 1HH2 ARG 52 HH11 ARG 52 15.066 -14.476 2.263
423 2HH2 ARG 52 HH12 ARG 52 15.186 -15.022 3.901
424 H GLU 53 HN GLU 53 10.420 -7.756 1.396
425 HA GLU 53 HA GLU 53 9.299 -8.507 3.984
426 1HB GLU 53 HB2 GLU 53 8.471 -6.498 1.878
427 2HB GLU 53 HB1 GLU 53 7.596 -6.719 3.393
428 1HG GLU 53 HG2 GLU 53 10.270 -6.530 4.174
429 2HG GLU 53 HG1 GLU 53 10.103 -5.317 2.906
430 H LEU 54 HN LEU 54 8.728 -9.448 0.718
431 HA LEU 54 HA LEU 54 5.931 -10.135 0.983
432 1HB LEU 54 HB2 LEU 54 8.069 -10.522 -1.009
433 2HB LEU 54 HB1 LEU 54 6.841 -11.791 -0.986
434 HG LEU 54 HG LEU 54 6.172 -8.835 -1.061
435 1HD1 LEU 54 HD13 LEU 54 7.168 -10.537 -3.166
436 2HD1 LEU 54 HD12 LEU 54 5.496 -10.094 -3.504
437 3HD1 LEU 54 HD11 LEU 54 6.707 -8.837 -3.247
438 1HD2 LEU 54 HD23 LEU 54 4.670 -11.274 -0.704
439 2HD2 LEU 54 HD22 LEU 54 4.095 -9.607 -0.666
440 3HD2 LEU 54 HD21 LEU 54 4.170 -10.479 -2.197
441 H GLN 55 HN GLN 55 8.859 -12.208 0.984
442 HA GLN 55 HA GLN 55 7.259 -14.450 1.958
443 1HB GLN 55 HB2 GLN 55 10.177 -14.078 1.304
444 2HB GLN 55 HB1 GLN 55 9.596 -15.546 2.092
445 1HG GLN 55 HG2 GLN 55 7.811 -15.020 -0.044
446 2HG GLN 55 HG1 GLN 55 9.440 -14.822 -0.691
447 1HE2 GLN 55 HE22 GLN 55 8.553 -18.488 0.971
448 2HE2 GLN 55 HE21 GLN 55 7.896 -17.089 1.671
449 H GLU 56 HN GLU 56 9.646 -12.217 3.386
450 HA GLU 56 HA GLU 56 9.651 -13.708 5.898
451 1HB GLU 56 HB2 GLU 56 11.302 -12.242 6.622
452 2HB GLU 56 HB1 GLU 56 11.532 -12.197 4.877
453 1HG GLU 56 HG2 GLU 56 11.328 -9.955 5.038
454 2HG GLU 56 HG1 GLU 56 9.612 -10.228 5.342
455 H GLU 57 HN GLU 57 6.977 -12.805 5.094
456 HA GLU 57 HA GLU 57 6.321 -11.398 7.610
457 1HB GLU 57 HB2 GLU 57 6.008 -10.226 4.889
458 2HB GLU 57 HB1 GLU 57 4.693 -9.969 6.032
459 1HG GLU 57 HG2 GLU 57 7.380 -9.550 7.171
460 2HG GLU 57 HG1 GLU 57 6.947 -8.412 5.895
461 H VAL 58 HN VAL 58 4.785 -12.392 4.532
462 HA VAL 58 HA VAL 58 2.766 -13.852 6.155
463 HB VAL 58 HB VAL 58 2.026 -11.699 4.992
464 1HG1 VAL 58 HG12 VAL 58 3.325 -12.651 2.812
465 2HG1 VAL 58 HG11 VAL 58 1.688 -13.213 2.473
466 3HG1 VAL 58 HG13 VAL 58 1.995 -11.496 2.726
467 1HG2 VAL 58 HG21 VAL 58 0.688 -14.288 4.286
468 2HG2 VAL 58 HG23 VAL 58 0.475 -13.371 5.776
469 3HG2 VAL 58 HG22 VAL 58 -0.067 -12.692 4.241
470 H GLY 59 HN GLY 59 5.206 -14.009 3.860
471 1HA GLY 59 HA2 GLY 59 6.067 -15.705 2.579
472 2HA GLY 59 HA1 GLY 59 5.135 -16.804 3.591
473 H ILE 60 HN ILE 60 4.809 -14.658 0.765
474 HA ILE 60 HA ILE 60 2.732 -16.546 -0.287
475 HB ILE 60 HB ILE 60 2.734 -14.314 -1.953
476 1HG1 ILE 60 HG12 ILE 60 2.881 -13.411 0.930
477 2HG1 ILE 60 HG11 ILE 60 4.103 -13.088 -0.293
478 1HG2 ILE 60 HG22 ILE 60 0.977 -15.232 0.308
479 2HG2 ILE 60 HG21 ILE 60 0.587 -13.772 -0.601
480 3HG2 ILE 60 HG23 ILE 60 0.689 -15.324 -1.428
481 1HD1 ILE 60 HD12 ILE 60 1.263 -12.355 -0.866
482 2HD1 ILE 60 HD11 ILE 60 2.213 -11.306 0.185
483 3HD1 ILE 60 HD13 ILE 60 2.745 -11.620 -1.468
484 H THR 61 HN THR 61 2.825 -16.312 -2.871
485 HA THR 61 HA THR 61 5.676 -16.326 -3.730
486 HB THR 61 HB THR 61 3.624 -18.347 -4.678
487 HG1 THR 61 HG1 THR 61 4.624 -19.771 -3.361
488 1HG2 THR 61 HG22 THR 61 6.562 -17.867 -5.194
489 2HG2 THR 61 HG21 THR 61 5.748 -19.373 -5.619
490 3HG2 THR 61 HG23 THR 61 5.246 -17.857 -6.368
491 HA PRO 62 HA PRO 62 3.104 -13.376 -6.028
492 1HB PRO 62 HB2 PRO 62 5.502 -12.013 -6.755
493 2HB PRO 62 HB1 PRO 62 4.294 -11.536 -5.549
494 1HG PRO 62 HG2 PRO 62 6.970 -12.598 -5.091
495 2HG PRO 62 HG1 PRO 62 5.824 -11.954 -3.915
496 1HD PRO 62 HD2 PRO 62 6.527 -14.683 -4.295
497 2HD PRO 62 HD1 PRO 62 5.267 -14.038 -3.222
498 H GLN 63 HN GLN 63 2.551 -13.738 -8.093
499 HA GLN 63 HA GLN 63 4.249 -15.431 -9.763
500 1HB GLN 63 HB2 GLN 63 1.658 -14.140 -10.608
501 2HB GLN 63 HB1 GLN 63 2.348 -15.677 -11.138
502 1HG GLN 63 HG2 GLN 63 2.100 -15.844 -8.317
503 2HG GLN 63 HG1 GLN 63 0.579 -15.176 -8.910
504 1HE2 GLN 63 HE22 GLN 63 -0.144 -18.113 -10.927
505 2HE2 GLN 63 HE21 GLN 63 -0.275 -16.422 -10.984
506 H HIS 64 HN HIS 64 3.132 -12.039 -9.736
507 HA HIS 64 HA HIS 64 5.439 -11.272 -11.312
508 1HB HIS 64 HB2 HIS 64 3.844 -12.311 -13.004
509 2HB HIS 64 HB1 HIS 64 2.781 -10.939 -12.702
510 HD1 HIS 64 HD1 HIS 64 5.960 -9.529 -12.260
511 HD2 HIS 64 HD2 HIS 64 3.865 -10.742 -15.654
512 HE1 HIS 64 HE1 HIS 64 6.998 -8.305 -14.219
513 H PHE 65 HN PHE 65 4.664 -10.200 -8.871
514 HA PHE 65 HA PHE 65 2.891 -8.066 -8.811
515 1HB PHE 65 HB2 PHE 65 4.635 -6.921 -7.310
516 2HB PHE 65 HB1 PHE 65 4.048 -8.494 -6.803
517 HD1 PHE 65 HD1 PHE 65 6.702 -7.177 -9.116
518 HD2 PHE 65 HD2 PHE 65 5.669 -9.934 -5.987
519 HE1 PHE 65 HE1 PHE 65 9.035 -8.019 -9.087
520 HE2 PHE 65 HE2 PHE 65 8.000 -10.778 -5.960
521 HZ PHE 65 HZ PHE 65 9.683 -9.816 -7.505
522 H SER 66 HN SER 66 3.627 -5.676 -8.806
523 HA SER 66 HA SER 66 5.677 -4.964 -10.765
524 1HB SER 66 HB2 SER 66 3.029 -5.486 -11.693
525 2HB SER 66 HB1 SER 66 3.299 -3.749 -11.794
526 HG SER 66 HG SER 66 4.665 -5.868 -13.032
527 H LEU 67 HN LEU 67 5.944 -2.608 -10.905
528 HA LEU 67 HA LEU 67 4.658 -1.226 -8.593
529 1HB LEU 67 HB2 LEU 67 7.101 -1.451 -8.355
530 2HB LEU 67 HB1 LEU 67 7.326 -0.652 -9.913
531 HG LEU 67 HG LEU 67 6.082 1.337 -8.984
532 1HD1 LEU 67 HD11 LEU 67 6.175 -0.417 -6.537
533 2HD1 LEU 67 HD13 LEU 67 6.169 1.339 -6.368
534 3HD1 LEU 67 HD12 LEU 67 4.832 0.525 -7.176
535 1HD2 LEU 67 HD23 LEU 67 8.683 0.851 -8.922
536 2HD2 LEU 67 HD22 LEU 67 8.022 2.252 -8.078
537 3HD2 LEU 67 HD21 LEU 67 8.417 0.785 -7.180
538 H PHE 68 HN PHE 68 2.862 -0.426 -9.712
539 HA PHE 68 HA PHE 68 2.846 0.715 -12.277
540 1HB PHE 68 HB2 PHE 68 0.700 1.192 -11.791
541 2HB PHE 68 HB1 PHE 68 0.972 0.272 -10.338
542 HD1 PHE 68 HD2 PHE 68 0.936 3.708 -11.774
543 HD2 PHE 68 HD1 PHE 68 0.849 1.317 -8.207
544 HE1 PHE 68 HE2 PHE 68 0.399 5.725 -10.437
545 HE2 PHE 68 HE1 PHE 68 0.311 3.334 -6.869
546 HZ PHE 68 HZ PHE 68 0.088 5.539 -7.985
547 H GLU 69 HN GLU 69 3.016 2.502 -9.216
548 HA GLU 69 HA GLU 69 5.085 4.280 -10.200
549 1HB GLU 69 HB2 GLU 69 2.670 4.944 -11.205
550 2HB GLU 69 HB1 GLU 69 2.590 5.807 -9.668
551 1HG GLU 69 HG2 GLU 69 3.628 7.407 -10.990
552 2HG GLU 69 HG1 GLU 69 5.037 6.566 -10.341
553 H LYS 70 HN LYS 70 6.022 5.401 -8.498
554 HA LYS 70 HA LYS 70 4.651 5.184 -5.844
555 1HB LYS 70 HB2 LYS 70 6.511 3.706 -5.722
556 2HB LYS 70 HB1 LYS 70 7.557 4.822 -6.600
557 1HG LYS 70 HG2 LYS 70 6.405 5.951 -4.135
558 2HG LYS 70 HG1 LYS 70 7.485 4.584 -3.863
559 1HD LYS 70 HD2 LYS 70 8.203 6.949 -5.612
560 2HD LYS 70 HD1 LYS 70 8.637 6.836 -3.906
561 1HE LYS 70 HE2 LYS 70 9.561 4.457 -4.668
562 2HE LYS 70 HE1 LYS 70 9.665 5.264 -6.233
563 1HZ LYS 70 HZ3 LYS 70 10.650 7.066 -4.407
564 2HZ LYS 70 HZ2 LYS 70 11.313 5.573 -3.939
565 3HZ LYS 70 HZ1 LYS 70 11.549 6.154 -5.518
566 H LEU 71 HN LEU 71 4.589 7.079 -4.625
567 HA LEU 71 HA LEU 71 5.790 9.479 -5.938
568 1HB LEU 71 HB2 LEU 71 4.074 10.687 -4.402
569 2HB LEU 71 HB1 LEU 71 3.478 9.868 -5.843
570 HG LEU 71 HG LEU 71 2.804 7.935 -4.539
571 1HD1 LEU 71 HD12 LEU 71 4.279 9.375 -2.336
572 2HD1 LEU 71 HD11 LEU 71 3.034 8.181 -1.967
573 3HD1 LEU 71 HD13 LEU 71 4.469 7.707 -2.877
574 1HD2 LEU 71 HD21 LEU 71 1.988 10.632 -3.466
575 2HD2 LEU 71 HD23 LEU 71 1.095 9.561 -4.539
576 3HD2 LEU 71 HD22 LEU 71 1.272 9.150 -2.835
577 H GLU 72 HN GLU 72 5.800 11.282 -3.935
578 HA GLU 72 HA GLU 72 7.172 10.059 -1.603
579 1HB GLU 72 HB2 GLU 72 9.088 11.585 -1.824
580 2HB GLU 72 HB1 GLU 72 8.948 10.574 -3.263
581 1HG GLU 72 HG2 GLU 72 8.410 12.333 -4.609
582 2HG GLU 72 HG1 GLU 72 7.433 13.112 -3.363
583 H TYR 73 HN TYR 73 7.728 11.997 -0.005
584 HA TYR 73 HA TYR 73 5.801 14.221 -0.267
585 1HB TYR 73 HB2 TYR 73 4.914 11.991 0.998
586 2HB TYR 73 HB1 TYR 73 5.664 12.839 2.352
587 HD1 TYR 73 HD2 TYR 73 3.335 13.392 -0.528
588 HD2 TYR 73 HD1 TYR 73 4.514 14.577 3.428
589 HE1 TYR 73 HE2 TYR 73 1.389 14.925 -0.407
590 HE2 TYR 73 HE1 TYR 73 2.569 16.109 3.549
591 HH TYR 73 HH TYR 73 1.111 17.368 1.723
592 H GLU 74 HN GLU 74 6.106 15.833 1.504
593 HA GLU 74 HA GLU 74 8.709 15.628 2.918
594 1HB GLU 74 HB2 GLU 74 8.522 17.014 0.545
595 2HB GLU 74 HB1 GLU 74 8.224 18.276 1.743
596 1HG GLU 74 HG2 GLU 74 10.292 17.807 2.876
597 2HG GLU 74 HG1 GLU 74 10.547 16.343 1.927
598 H PHE 75 HN PHE 75 8.005 15.847 5.018
599 HA PHE 75 HA PHE 75 5.671 17.516 5.624
600 1HB PHE 75 HB2 PHE 75 7.303 15.537 6.987
601 2HB PHE 75 HB1 PHE 75 7.011 16.936 8.018
602 HD1 PHE 75 HD1 PHE 75 4.976 15.222 5.377
603 HD2 PHE 75 HD2 PHE 75 5.215 16.514 9.467
604 HE1 PHE 75 HE1 PHE 75 2.647 14.455 5.756
605 HE2 PHE 75 HE2 PHE 75 2.887 15.749 9.845
606 HZ PHE 75 HZ PHE 75 1.604 14.720 7.991
607 HA PRO 76 HA PRO 76 7.374 21.382 6.683
608 1HB PRO 76 HB2 PRO 76 7.141 21.180 9.582
609 2HB PRO 76 HB1 PRO 76 6.205 22.184 8.464
610 1HG PRO 76 HG2 PRO 76 5.312 19.819 9.800
611 2HG PRO 76 HG1 PRO 76 4.440 20.742 8.569
612 1HD PRO 76 HD2 PRO 76 5.634 18.135 8.302
613 2HD PRO 76 HD1 PRO 76 4.757 19.057 7.067
614 H ASP 77 HN ASP 77 8.491 18.627 8.426
615 HA ASP 77 HA ASP 77 11.250 19.604 8.215
616 1HB ASP 77 HB2 ASP 77 10.249 20.219 10.514
617 2HB ASP 77 HB1 ASP 77 10.313 18.489 10.853
618 H ARG 78 HN ARG 78 9.102 17.149 7.713
619 HA ARG 78 HA ARG 78 11.204 15.087 7.986
620 1HB ARG 78 HB2 ARG 78 8.370 14.249 7.831
621 2HB ARG 78 HB1 ARG 78 9.678 13.641 8.816
622 1HG ARG 78 HG2 ARG 78 9.494 15.770 10.197
623 2HG ARG 78 HG1 ARG 78 7.983 16.068 9.342
624 1HD ARG 78 HD2 ARG 78 7.275 14.918 11.268
625 2HD ARG 78 HD1 ARG 78 7.362 13.643 10.054
626 HE ARG 78 HE ARG 78 9.878 13.619 11.206
627 1HH1 ARG 78 HH21 ARG 78 6.662 12.746 11.908
628 2HH1 ARG 78 HH22 ARG 78 7.019 12.094 13.472
629 1HH2 ARG 78 HH11 ARG 78 10.340 13.084 13.422
630 2HH2 ARG 78 HH12 ARG 78 9.099 12.285 14.329
631 H HIS 79 HN HIS 79 9.831 13.132 6.535
632 HA HIS 79 HA HIS 79 9.037 14.170 3.917
633 1HB HIS 79 HB2 HIS 79 11.037 12.729 2.926
634 2HB HIS 79 HB1 HIS 79 11.311 14.407 3.410
635 HD1 HIS 79 HD1 HIS 79 13.787 13.952 4.144
636 HD2 HIS 79 HD2 HIS 79 10.937 11.714 6.189
637 HE1 HIS 79 HE1 HIS 79 14.958 12.952 6.153
638 H ILE 80 HN ILE 80 7.310 12.786 3.666
639 HA ILE 80 HA ILE 80 7.662 9.950 4.478
640 HB ILE 80 HB ILE 80 5.154 11.430 3.638
641 1HG1 ILE 80 HG12 ILE 80 5.936 12.379 5.702
642 2HG1 ILE 80 HG11 ILE 80 4.669 11.230 6.135
643 1HG2 ILE 80 HG23 ILE 80 5.684 8.672 4.765
644 2HG2 ILE 80 HG22 ILE 80 4.094 9.434 4.834
645 3HG2 ILE 80 HG21 ILE 80 4.840 9.087 3.274
646 1HD1 ILE 80 HD11 ILE 80 6.750 9.553 6.231
647 2HD1 ILE 80 HD13 ILE 80 7.619 11.052 6.564
648 3HD1 ILE 80 HD12 ILE 80 6.298 10.545 7.619
649 H THR 81 HN THR 81 8.058 8.445 2.958
650 HA THR 81 HA THR 81 7.177 8.983 0.154
651 HB THR 81 HB THR 81 9.798 7.700 0.991
652 HG1 THR 81 HG1 THR 81 10.007 9.846 1.325
653 1HG2 THR 81 HG22 THR 81 8.587 7.029 -1.211
654 2HG2 THR 81 HG21 THR 81 9.043 8.640 -1.767
655 3HG2 THR 81 HG23 THR 81 10.289 7.483 -1.295
656 H LEU 82 HN LEU 82 5.700 7.413 -0.337
657 HA LEU 82 HA LEU 82 6.012 4.758 0.990
658 1HB LEU 82 HB2 LEU 82 3.747 6.470 0.460
659 2HB LEU 82 HB1 LEU 82 3.510 4.900 -0.305
660 HG LEU 82 HG LEU 82 2.705 5.045 2.095
661 1HD1 LEU 82 HD13 LEU 82 4.194 3.013 0.758
662 2HD1 LEU 82 HD12 LEU 82 4.672 2.992 2.456
663 3HD1 LEU 82 HD11 LEU 82 2.973 2.813 2.014
664 1HD2 LEU 82 HD21 LEU 82 4.968 6.392 2.585
665 2HD2 LEU 82 HD23 LEU 82 4.175 5.431 3.834
666 3HD2 LEU 82 HD22 LEU 82 5.553 4.769 2.953
667 H TRP 83 HN TRP 83 5.714 2.847 -0.288
668 HA TRP 83 HA TRP 83 6.304 3.261 -3.189
669 1HB TRP 83 HB2 TRP 83 6.772 0.685 -1.694
670 2HB TRP 83 HB1 TRP 83 7.549 1.261 -3.168
671 HD1 TRP 83 HD1 TRP 83 7.289 2.350 0.539
672 HE1 TRP 83 HE1 TRP 83 9.571 3.324 1.243
673 HE3 TRP 83 HE3 TRP 83 9.801 1.994 -3.890
674 HZ2 TRP 83 HZ2 TRP 83 12.127 3.874 0.077
675 HZ3 TRP 83 HZ3 TRP 83 12.155 2.746 -4.065
676 HH2 TRP 83 HH2 TRP 83 13.318 3.687 -2.088
677 H PHE 84 HN PHE 84 4.558 2.839 -4.459
678 HA PHE 84 HA PHE 84 2.440 1.034 -3.400
679 1HB PHE 84 HB2 PHE 84 2.546 3.164 -5.525
680 2HB PHE 84 HB1 PHE 84 1.282 1.938 -5.581
681 HD1 PHE 84 HD1 PHE 84 2.900 3.671 -2.670
682 HD2 PHE 84 HD2 PHE 84 -0.702 2.951 -4.900
683 HE1 PHE 84 HE1 PHE 84 1.599 4.952 -0.988
684 HE2 PHE 84 HE2 PHE 84 -1.999 4.228 -3.219
685 HZ PHE 84 HZ PHE 84 -0.851 5.233 -1.268
686 H TRP 85 HN TRP 85 4.131 -0.814 -3.946
687 HA TRP 85 HA TRP 85 4.411 -1.280 -6.823
688 1HB TRP 85 HB2 TRP 85 5.565 -3.352 -6.208
689 2HB TRP 85 HB1 TRP 85 6.211 -1.997 -5.292
690 HD1 TRP 85 HD1 TRP 85 5.375 -1.781 -2.705
691 HE1 TRP 85 HE1 TRP 85 4.747 -3.635 -1.025
692 HE3 TRP 85 HE3 TRP 85 4.526 -5.653 -5.931
693 HZ2 TRP 85 HZ2 TRP 85 3.982 -6.390 -1.049
694 HZ3 TRP 85 HZ3 TRP 85 3.851 -7.876 -5.072
695 HH2 TRP 85 HH2 TRP 85 3.578 -8.250 -2.638
696 H LEU 86 HN LEU 86 2.222 -1.288 -7.418
697 HA LEU 86 HA LEU 86 0.233 -3.015 -6.316
698 1HB LEU 86 HB2 LEU 86 0.357 -1.065 -8.329
699 2HB LEU 86 HB1 LEU 86 -0.118 -2.544 -9.164
700 HG LEU 86 HG LEU 86 -1.893 -2.891 -7.431
701 1HD1 LEU 86 HD11 LEU 86 -0.728 -1.503 -5.692
702 2HD1 LEU 86 HD13 LEU 86 -1.173 -0.063 -6.609
703 3HD1 LEU 86 HD12 LEU 86 -2.429 -1.084 -5.907
704 1HD2 LEU 86 HD23 LEU 86 -1.783 -0.582 -9.314
705 2HD2 LEU 86 HD22 LEU 86 -2.888 -1.956 -9.285
706 3HD2 LEU 86 HD21 LEU 86 -3.126 -0.611 -8.169
707 H VAL 87 HN VAL 87 0.158 -5.201 -6.418
708 HA VAL 87 HA VAL 87 1.691 -6.511 -8.629
709 HB VAL 87 HB VAL 87 2.506 -7.562 -6.776
710 1HG1 VAL 87 HG13 VAL 87 1.255 -6.199 -5.197
711 2HG1 VAL 87 HG12 VAL 87 -0.161 -7.227 -5.426
712 3HG1 VAL 87 HG11 VAL 87 1.298 -7.885 -4.683
713 1HG2 VAL 87 HG22 VAL 87 -0.092 -9.073 -7.154
714 2HG2 VAL 87 HG21 VAL 87 1.399 -9.342 -8.056
715 3HG2 VAL 87 HG23 VAL 87 1.336 -9.698 -6.330
716 H GLU 88 HN GLU 88 0.648 -8.455 -9.631
717 HA GLU 88 HA GLU 88 -2.308 -8.044 -9.787
718 1HB GLU 88 HB2 GLU 88 -2.128 -8.837 -12.137
719 2HB GLU 88 HB1 GLU 88 -1.196 -7.366 -11.851
720 1HG GLU 88 HG2 GLU 88 0.350 -9.785 -11.300
721 2HG GLU 88 HG1 GLU 88 -0.216 -9.717 -12.968
722 H ARG 89 HN ARG 89 0.259 -10.395 -9.377
723 HA ARG 89 HA ARG 89 -1.829 -12.427 -8.845
724 1HB ARG 89 HB2 ARG 89 0.248 -12.577 -10.996
725 2HB ARG 89 HB1 ARG 89 -0.227 -14.058 -10.165
726 1HG ARG 89 HG2 ARG 89 -2.161 -14.150 -11.316
727 2HG ARG 89 HG1 ARG 89 -2.569 -12.501 -10.839
728 1HD ARG 89 HD2 ARG 89 -0.981 -11.695 -12.644
729 2HD ARG 89 HD1 ARG 89 -0.883 -13.365 -13.202
730 HE ARG 89 HE ARG 89 -2.871 -11.712 -14.078
731 1HH1 ARG 89 HH11 ARG 89 -4.906 -11.952 -12.304
732 2HH1 ARG 89 HH12 ARG 89 -5.605 -13.524 -12.508
733 1HH2 ARG 89 HH21 ARG 89 -2.868 -14.814 -14.196
734 2HH2 ARG 89 HH22 ARG 89 -4.453 -15.142 -13.579
735 H TRP 90 HN TRP 90 -1.101 -14.159 -7.511
736 HA TRP 90 HA TRP 90 1.636 -14.392 -6.625
737 1HB TRP 90 HB2 TRP 90 1.388 -13.655 -4.332
738 2HB TRP 90 HB1 TRP 90 0.969 -12.324 -5.389
739 HD1 TRP 90 HD1 TRP 90 -0.400 -14.546 -2.725
740 HE1 TRP 90 HE1 TRP 90 -2.857 -13.942 -2.232
741 HE3 TRP 90 HE3 TRP 90 -1.348 -11.380 -6.634
742 HZ2 TRP 90 HZ2 TRP 90 -4.940 -12.350 -3.338
743 HZ3 TRP 90 HZ3 TRP 90 -3.591 -10.338 -6.876
744 HH2 TRP 90 HH2 TRP 90 -5.378 -10.818 -5.237
745 H GLU 91 HN GLU 91 1.428 -15.640 -4.309
746 HA GLU 91 HA GLU 91 -0.753 -17.641 -4.594
747 1HB GLU 91 HB2 GLU 91 1.657 -18.177 -5.569
748 2HB GLU 91 HB1 GLU 91 1.988 -18.537 -3.874
749 1HG GLU 91 HG2 GLU 91 -0.115 -19.947 -3.885
750 2HG GLU 91 HG1 GLU 91 -0.138 -19.750 -5.638
751 H GLY 92 HN GLY 92 -1.817 -17.544 -2.650
752 1HA GLY 92 HA2 GLY 92 -1.778 -18.228 -0.289
753 2HA GLY 92 HA1 GLY 92 -0.147 -17.568 -0.175
754 H GLU 93 HN GLU 93 -1.949 -16.751 1.704
755 HA GLU 93 HA GLU 93 -3.296 -14.291 0.899
756 1HB GLU 93 HB2 GLU 93 -3.341 -16.032 3.143
757 2HB GLU 93 HB1 GLU 93 -2.867 -14.439 3.737
758 1HG GLU 93 HG2 GLU 93 -4.860 -13.710 2.067
759 2HG GLU 93 HG1 GLU 93 -5.431 -15.317 2.516
760 HA PRO 94 HA PRO 94 0.616 -12.076 1.247
761 1HB PRO 94 HB2 PRO 94 -0.619 -9.688 0.370
762 2HB PRO 94 HB1 PRO 94 0.275 -10.838 -0.627
763 1HG PRO 94 HG2 PRO 94 -2.581 -10.338 -0.611
764 2HG PRO 94 HG1 PRO 94 -1.666 -11.416 -1.672
765 1HD PRO 94 HD2 PRO 94 -3.379 -12.131 0.544
766 2HD PRO 94 HD1 PRO 94 -2.508 -13.209 -0.559
767 H TRP 95 HN TRP 95 1.158 -9.785 2.149
768 HA TRP 95 HA TRP 95 -0.467 -9.223 4.578
769 1HB TRP 95 HB2 TRP 95 1.767 -8.200 5.399
770 2HB TRP 95 HB1 TRP 95 1.649 -9.948 5.361
771 HD1 TRP 95 HD1 TRP 95 3.570 -11.081 4.297
772 HE1 TRP 95 HE1 TRP 95 5.390 -10.558 2.607
773 HE3 TRP 95 HE3 TRP 95 2.190 -6.353 3.029
774 HZ2 TRP 95 HZ2 TRP 95 6.204 -8.360 0.931
775 HZ3 TRP 95 HZ3 TRP 95 3.516 -5.061 1.387
776 HH2 TRP 95 HH2 TRP 95 5.519 -6.062 0.338
777 H GLY 96 HN GLY 96 0.772 -6.780 5.193
778 1HA GLY 96 HA2 GLY 96 1.049 -4.972 3.042
779 2HA GLY 96 HA1 GLY 96 -0.630 -4.960 3.536
780 H LYS 97 HN LYS 97 -0.012 -5.559 6.300
781 HA LYS 97 HA LYS 97 1.399 -3.079 7.170
782 1HB LYS 97 HB2 LYS 97 -1.368 -3.683 7.461
783 2HB LYS 97 HB1 LYS 97 -0.631 -3.823 9.058
784 1HG LYS 97 HG2 LYS 97 0.272 -1.497 7.485
785 2HG LYS 97 HG1 LYS 97 -1.431 -1.461 7.946
786 1HD LYS 97 HD2 LYS 97 -0.689 -2.025 10.309
787 2HD LYS 97 HD1 LYS 97 0.965 -1.727 9.775
788 1HE LYS 97 HE2 LYS 97 -1.278 0.287 9.483
789 2HE LYS 97 HE1 LYS 97 -0.146 0.274 10.835
790 1HZ LYS 97 HZ3 LYS 97 1.657 0.352 9.104
791 2HZ LYS 97 HZ2 LYS 97 0.445 0.703 7.966
792 3HZ LYS 97 HZ1 LYS 97 0.729 1.762 9.264
793 H GLU 98 HN GLU 98 1.205 -3.583 9.943
794 HA GLU 98 HA GLU 98 3.329 -5.402 10.387
795 1HB GLU 98 HB2 GLU 98 2.609 -5.367 12.774
796 2HB GLU 98 HB1 GLU 98 2.676 -3.750 12.073
797 1HG GLU 98 HG2 GLU 98 0.195 -3.990 11.566
798 2HG GLU 98 HG1 GLU 98 0.218 -5.443 12.567
799 H GLY 99 HN GLY 99 -0.182 -5.884 10.673
800 1HA GLY 99 HA2 GLY 99 0.314 -8.829 10.484
801 2HA GLY 99 HA1 GLY 99 -0.944 -8.161 11.530
802 H GLN 100 HN GLN 100 -2.896 -8.606 10.562
803 HA GLN 100 HA GLN 100 -3.120 -7.923 7.662
804 1HB GLN 100 HB2 GLN 100 -3.521 -10.438 8.896
805 2HB GLN 100 HB1 GLN 100 -5.120 -9.830 8.464
806 1HG GLN 100 HG2 GLN 100 -3.253 -9.282 6.332
807 2HG GLN 100 HG1 GLN 100 -3.220 -11.000 6.735
808 1HE2 GLN 100 HE22 GLN 100 -6.023 -11.131 4.510
809 2HE2 GLN 100 HE21 GLN 100 -4.351 -11.402 4.627
810 HA PRO 101 HA PRO 101 -6.408 -5.898 10.486
811 1HB PRO 101 HB2 PRO 101 -5.308 -3.305 10.255
812 2HB PRO 101 HB1 PRO 101 -5.302 -4.322 11.704
813 1HG PRO 101 HG2 PRO 101 -3.069 -3.661 9.928
814 2HG PRO 101 HG1 PRO 101 -3.029 -4.440 11.515
815 1HD PRO 101 HD2 PRO 101 -2.622 -5.697 8.989
816 2HD PRO 101 HD1 PRO 101 -2.777 -6.483 10.573
817 H GLY 102 HN GLY 102 -4.852 -5.470 7.490
818 1HA GLY 102 HA2 GLY 102 -6.391 -3.392 6.312
819 2HA GLY 102 HA1 GLY 102 -5.592 -4.679 5.411
820 H GLU 103 HN GLU 103 -7.862 -4.060 4.240
821 HA GLU 103 HA GLU 103 -9.680 -6.269 5.088
822 1HB GLU 103 HB2 GLU 103 -11.654 -4.877 4.953
823 2HB GLU 103 HB1 GLU 103 -10.521 -4.114 6.068
824 1HG GLU 103 HG2 GLU 103 -10.021 -2.392 4.601
825 2HG GLU 103 HG1 GLU 103 -10.394 -3.357 3.172
826 H TRP 104 HN TRP 104 -11.218 -6.877 3.368
827 HA TRP 104 HA TRP 104 -9.934 -6.640 0.722
828 1HB TRP 104 HB2 TRP 104 -12.074 -8.380 1.915
829 2HB TRP 104 HB1 TRP 104 -11.938 -8.246 0.162
830 HD1 TRP 104 HD1 TRP 104 -9.070 -8.329 2.738
831 HE1 TRP 104 HE1 TRP 104 -7.525 -10.311 2.160
832 HE3 TRP 104 HE3 TRP 104 -11.690 -10.392 -1.127
833 HZ2 TRP 104 HZ2 TRP 104 -7.416 -12.486 0.303
834 HZ3 TRP 104 HZ3 TRP 104 -10.846 -12.415 -2.282
835 HH2 TRP 104 HH2 TRP 104 -8.714 -13.464 -1.573
836 H MET 105 HN MET 105 -10.460 -4.697 -0.234
837 HA MET 105 HA MET 105 -13.193 -3.628 -0.013
838 1HB MET 105 HB2 MET 105 -11.452 -1.985 0.077
839 2HB MET 105 HB1 MET 105 -10.662 -2.652 -1.353
840 1HG MET 105 HG2 MET 105 -12.706 -2.065 -2.681
841 2HG MET 105 HG1 MET 105 -13.347 -1.256 -1.252
842 1HE MET 105 HE3 MET 105 -11.590 0.068 0.209
843 2HE MET 105 HE2 MET 105 -10.009 -0.482 -0.341
844 3HE MET 105 HE1 MET 105 -10.429 1.225 -0.459
845 H SER 106 HN SER 106 -14.746 -3.968 -1.542
846 HA SER 106 HA SER 106 -14.010 -5.509 -3.955
847 1HB SER 106 HB2 SER 106 -16.764 -5.035 -3.976
848 2HB SER 106 HB1 SER 106 -15.961 -6.496 -3.414
849 HG SER 106 HG SER 106 -17.252 -4.582 -2.009
850 H LEU 107 HN LEU 107 -12.884 -3.457 -4.765
851 HA LEU 107 HA LEU 107 -12.872 -1.536 -6.126
852 1HB LEU 107 HB2 LEU 107 -14.288 -3.479 -7.376
853 2HB LEU 107 HB1 LEU 107 -15.525 -2.226 -7.266
854 HG LEU 107 HG LEU 107 -13.882 -0.607 -8.256
855 1HD1 LEU 107 HD11 LEU 107 -12.174 -2.977 -7.969
856 2HD1 LEU 107 HD13 LEU 107 -12.089 -2.250 -9.574
857 3HD1 LEU 107 HD12 LEU 107 -11.721 -1.283 -8.146
858 1HD2 LEU 107 HD21 LEU 107 -15.335 -2.726 -9.518
859 2HD2 LEU 107 HD23 LEU 107 -14.955 -1.131 -10.168
860 3HD2 LEU 107 HD22 LEU 107 -13.843 -2.475 -10.422
861 H VAL 108 HN VAL 108 -13.743 -0.856 -3.632
862 HA VAL 108 HA VAL 108 -15.857 1.148 -4.246
863 HB VAL 108 HB VAL 108 -15.781 -0.500 -1.704
864 1HG1 VAL 108 HG13 VAL 108 -16.838 1.993 -2.114
865 2HG1 VAL 108 HG12 VAL 108 -18.211 0.966 -2.525
866 3HG1 VAL 108 HG11 VAL 108 -17.457 0.836 -0.935
867 1HG2 VAL 108 HG23 VAL 108 -17.139 -0.893 -4.321
868 2HG2 VAL 108 HG22 VAL 108 -16.649 -2.085 -3.118
869 3HG2 VAL 108 HG21 VAL 108 -18.124 -1.151 -2.880
870 H GLY 109 HN GLY 109 -14.489 2.922 -4.138
871 1HA GLY 109 HA2 GLY 109 -13.570 4.677 -2.774
872 2HA GLY 109 HA1 GLY 109 -13.349 3.509 -1.471
873 H LEU 110 HN LEU 110 -12.337 2.440 -4.579
874 HA LEU 110 HA LEU 110 -9.659 2.030 -3.796
875 1HB LEU 110 HB2 LEU 110 -9.985 0.696 -5.582
876 2HB LEU 110 HB1 LEU 110 -11.435 1.573 -6.011
877 HG LEU 110 HG LEU 110 -9.988 3.308 -7.083
878 1HD1 LEU 110 HD13 LEU 110 -7.943 1.777 -5.837
879 2HD1 LEU 110 HD12 LEU 110 -7.733 1.585 -7.577
880 3HD1 LEU 110 HD11 LEU 110 -7.744 3.198 -6.863
881 1HD2 LEU 110 HD23 LEU 110 -11.073 1.121 -8.147
882 2HD2 LEU 110 HD22 LEU 110 -10.045 2.186 -9.107
883 3HD2 LEU 110 HD21 LEU 110 -9.382 0.703 -8.422
884 H ASN 111 HN ASN 111 -11.327 4.781 -4.926
885 HA ASN 111 HA ASN 111 -9.050 6.158 -6.088
886 1HB ASN 111 HB2 ASN 111 -11.875 6.860 -5.344
887 2HB ASN 111 HB1 ASN 111 -10.732 8.131 -5.743
888 1HD2 ASN 111 HD22 ASN 111 -11.940 7.512 -9.060
889 2HD2 ASN 111 HD21 ASN 111 -12.137 8.512 -7.703
890 H ALA 112 HN ALA 112 -8.672 8.506 -5.058
891 HA ALA 112 HA ALA 112 -7.450 8.068 -2.491
892 1HB ALA 112 HB3 ALA 112 -7.472 10.123 -4.477
893 2HB ALA 112 HB2 ALA 112 -7.867 10.865 -2.927
894 3HB ALA 112 HB1 ALA 112 -6.374 9.945 -3.109
895 H ASP 113 HN ASP 113 -10.670 8.565 -3.323
896 HA ASP 113 HA ASP 113 -11.594 10.321 -1.293
897 1HB ASP 113 HB2 ASP 113 -12.810 9.260 -3.352
898 2HB ASP 113 HB1 ASP 113 -13.215 7.975 -2.218
899 H ASP 114 HN ASP 114 -11.519 6.735 -1.325
900 HA ASP 114 HA ASP 114 -12.219 6.640 1.512
901 1HB ASP 114 HB2 ASP 114 -12.484 4.855 -0.531
902 2HB ASP 114 HB1 ASP 114 -11.032 4.239 0.256
903 H PHE 115 HN PHE 115 -9.376 7.122 -0.285
904 HA PHE 115 HA PHE 115 -7.660 6.044 1.878
905 1HB PHE 115 HB2 PHE 115 -7.147 7.045 -0.912
906 2HB PHE 115 HB1 PHE 115 -5.825 6.984 0.257
907 HD1 PHE 115 HD1 PHE 115 -6.178 4.655 1.827
908 HD2 PHE 115 HD2 PHE 115 -7.095 5.200 -2.335
909 HE1 PHE 115 HE1 PHE 115 -5.982 2.211 1.460
910 HE2 PHE 115 HE2 PHE 115 -6.895 2.759 -2.702
911 HZ PHE 115 HZ PHE 115 -6.341 1.264 -0.805
912 HA PRO 116 HA PRO 116 -7.484 9.923 3.887
913 1HB PRO 116 HB2 PRO 116 -4.811 9.406 4.836
914 2HB PRO 116 HB1 PRO 116 -6.322 9.299 5.737
915 1HG PRO 116 HG2 PRO 116 -4.674 7.134 4.901
916 2HG PRO 116 HG1 PRO 116 -6.286 7.029 5.626
917 1HD PRO 116 HD2 PRO 116 -5.506 6.568 2.850
918 2HD PRO 116 HD1 PRO 116 -7.061 6.246 3.630
919 HA PRO 117 HA PRO 117 -5.406 12.607 1.109
920 1HB PRO 117 HB2 PRO 117 -4.837 14.562 3.149
921 2HB PRO 117 HB1 PRO 117 -6.116 14.599 1.928
922 1HG PRO 117 HG2 PRO 117 -6.399 14.109 4.755
923 2HG PRO 117 HG1 PRO 117 -7.672 14.150 3.529
924 1HD PRO 117 HD2 PRO 117 -6.627 11.845 4.896
925 2HD PRO 117 HD1 PRO 117 -7.874 11.886 3.633
926 H ALA 118 HN ALA 118 -3.353 12.172 0.453
927 HA ALA 118 HA ALA 118 -0.994 13.066 1.561
928 1HB ALA 118 HB2 ALA 118 -1.902 10.496 2.833
929 2HB ALA 118 HB1 ALA 118 -0.179 10.797 2.606
930 3HB ALA 118 HB3 ALA 118 -1.146 11.899 3.586
931 H ASN 119 HN ASN 119 -2.668 10.527 -0.147
932 HA ASN 119 HA ASN 119 -0.248 10.141 -1.850
933 1HB ASN 119 HB2 ASN 119 -2.033 8.239 -0.523
934 2HB ASN 119 HB1 ASN 119 -1.859 7.931 -2.246
935 1HD2 ASN 119 HD22 ASN 119 1.413 7.572 0.198
936 2HD2 ASN 119 HD21 ASN 119 0.051 8.426 0.738
937 H GLU 120 HN GLU 120 -2.091 12.198 -2.366
938 HA GLU 120 HA GLU 120 -4.197 11.439 -4.140
939 1HB GLU 120 HB2 GLU 120 -2.745 14.064 -4.338
940 2HB GLU 120 HB1 GLU 120 -4.460 13.729 -4.571
941 1HG GLU 120 HG2 GLU 120 -4.436 12.996 -2.081
942 2HG GLU 120 HG1 GLU 120 -2.908 13.873 -1.991
943 HA PRO 121 HA PRO 121 -0.925 12.525 -7.593
944 1HB PRO 121 HB2 PRO 121 1.609 11.540 -6.662
945 2HB PRO 121 HB1 PRO 121 1.170 13.198 -7.092
946 1HG PRO 121 HG2 PRO 121 1.667 12.171 -4.467
947 2HG PRO 121 HG1 PRO 121 1.121 13.797 -4.896
948 1HD PRO 121 HD2 PRO 121 -0.409 11.627 -3.706
949 2HD PRO 121 HD1 PRO 121 -0.905 13.312 -3.967
950 H VAL 122 HN VAL 122 -0.445 9.633 -5.520
951 HA VAL 122 HA VAL 122 0.016 8.020 -7.955
952 HB VAL 122 HB VAL 122 0.698 7.827 -5.126
953 1HG1 VAL 122 HG12 VAL 122 -0.813 5.561 -6.367
954 2HG1 VAL 122 HG11 VAL 122 0.537 5.214 -5.288
955 3HG1 VAL 122 HG13 VAL 122 -0.839 6.149 -4.705
956 1HG2 VAL 122 HG22 VAL 122 1.602 6.662 -7.741
957 2HG2 VAL 122 HG21 VAL 122 2.477 7.711 -6.625
958 3HG2 VAL 122 HG23 VAL 122 2.233 6.009 -6.228
959 H ILE 123 HN ILE 123 -2.173 8.161 -5.158
960 HA ILE 123 HA ILE 123 -4.058 6.229 -5.877
961 HB ILE 123 HB ILE 123 -4.510 8.967 -4.677
962 1HG1 ILE 123 HG12 ILE 123 -2.891 7.232 -3.613
963 2HG1 ILE 123 HG11 ILE 123 -4.129 7.953 -2.584
964 1HG2 ILE 123 HG22 ILE 123 -6.308 6.797 -5.432
965 2HG2 ILE 123 HG21 ILE 123 -6.415 7.186 -3.716
966 3HG2 ILE 123 HG23 ILE 123 -6.687 8.440 -4.924
967 1HD1 ILE 123 HD13 ILE 123 -5.062 5.556 -3.996
968 2HD1 ILE 123 HD12 ILE 123 -3.707 5.234 -2.915
969 3HD1 ILE 123 HD11 ILE 123 -5.181 5.967 -2.286
970 H ALA 124 HN ALA 124 -3.551 9.482 -7.143
971 HA ALA 124 HA ALA 124 -5.937 9.850 -8.597
972 1HB ALA 124 HB3 ALA 124 -3.202 10.890 -8.703
973 2HB ALA 124 HB2 ALA 124 -3.967 10.837 -10.291
974 3HB ALA 124 HB1 ALA 124 -4.729 11.729 -8.974
975 H LYS 125 HN LYS 125 -2.955 8.176 -9.605
976 HA LYS 125 HA LYS 125 -3.958 7.403 -12.176
977 1HB LYS 125 HB2 LYS 125 -1.511 7.361 -11.150
978 2HB LYS 125 HB1 LYS 125 -1.959 5.704 -10.739
979 1HG LYS 125 HG2 LYS 125 -1.136 5.336 -12.860
980 2HG LYS 125 HG1 LYS 125 -2.810 5.707 -13.273
981 1HD LYS 125 HD2 LYS 125 -2.204 8.063 -13.661
982 2HD LYS 125 HD1 LYS 125 -0.531 7.707 -13.228
983 1HE LYS 125 HE2 LYS 125 -1.620 5.912 -15.286
984 2HE LYS 125 HE1 LYS 125 -1.547 7.602 -15.786
985 1HZ LYS 125 HZ2 LYS 125 0.816 7.275 -14.552
986 2HZ LYS 125 HZ1 LYS 125 0.594 5.743 -15.252
987 3HZ LYS 125 HZ3 LYS 125 0.579 7.130 -16.228
988 H LEU 126 HN LEU 126 -4.275 6.031 -8.961
989 HA LEU 126 HA LEU 126 -5.164 3.425 -9.782
990 1HB LEU 126 HB2 LEU 126 -5.927 4.812 -7.214
991 2HB LEU 126 HB1 LEU 126 -5.663 3.101 -7.502
992 HG LEU 126 HG LEU 126 -3.561 5.269 -7.465
993 1HD1 LEU 126 HD12 LEU 126 -4.629 3.538 -5.477
994 2HD1 LEU 126 HD11 LEU 126 -3.007 2.958 -5.859
995 3HD1 LEU 126 HD13 LEU 126 -3.247 4.624 -5.335
996 1HD2 LEU 126 HD23 LEU 126 -3.184 3.610 -9.292
997 2HD2 LEU 126 HD22 LEU 126 -1.958 3.510 -8.027
998 3HD2 LEU 126 HD21 LEU 126 -3.256 2.319 -8.094
999 H LYS 127 HN LYS 127 -6.613 6.495 -9.960
1000 HA LYS 127 HA LYS 127 -9.312 5.999 -9.356
1001 1HB LYS 127 HB2 LYS 127 -8.038 7.737 -11.485
1002 2HB LYS 127 HB1 LYS 127 -9.723 7.827 -11.006
1003 1HG LYS 127 HG2 LYS 127 -8.024 7.881 -8.672
1004 2HG LYS 127 HG1 LYS 127 -7.565 9.155 -9.797
1005 1HD LYS 127 HD2 LYS 127 -9.496 10.311 -9.475
1006 2HD LYS 127 HD1 LYS 127 -10.475 8.844 -9.434
1007 1HE LYS 127 HE2 LYS 127 -10.647 9.531 -7.221
1008 2HE LYS 127 HE1 LYS 127 -9.244 8.467 -7.122
1009 1HZ LYS 127 HZ1 LYS 127 -8.905 11.332 -7.721
1010 2HZ LYS 127 HZ3 LYS 127 -9.099 10.813 -6.118
1011 3HZ LYS 127 HZ2 LYS 127 -7.793 10.240 -7.040
1012 H ARG 128 HN ARG 128 -7.646 5.708 -12.497
1013 HA ARG 128 HA ARG 128 -9.908 4.107 -13.491
1014 1HB ARG 128 HB2 ARG 128 -8.124 4.331 -15.581
1015 2HB ARG 128 HB1 ARG 128 -9.505 5.384 -15.313
1016 1HG ARG 128 HG2 ARG 128 -8.039 6.881 -13.951
1017 2HG ARG 128 HG1 ARG 128 -6.665 5.860 -14.374
1018 1HD ARG 128 HD2 ARG 128 -6.422 7.073 -16.255
1019 2HD ARG 128 HD1 ARG 128 -7.968 6.429 -16.808
1020 HE ARG 128 HE ARG 128 -8.678 8.525 -15.137
1021 1HH1 ARG 128 HH21 ARG 128 -8.128 8.054 -18.346
1022 2HH1 ARG 128 HH22 ARG 128 -7.686 9.686 -18.722
1023 1HH2 ARG 128 HH11 ARG 128 -7.461 10.669 -15.405
1024 2HH2 ARG 128 HH12 ARG 128 -7.306 11.166 -17.057
1025 H LEU 129 HN LEU 129 -7.850 3.160 -11.537
1026 HA LEU 129 HA LEU 129 -5.853 1.523 -12.505
1027 1HB LEU 129 HB2 LEU 129 -6.982 1.778 -10.089
1028 2HB LEU 129 HB1 LEU 129 -7.730 0.252 -10.560
1029 HG LEU 129 HG LEU 129 -5.268 -0.393 -11.257
1030 1HD1 LEU 129 HD11 LEU 129 -4.390 1.902 -10.799
1031 2HD1 LEU 129 HD13 LEU 129 -4.800 1.685 -9.097
1032 3HD1 LEU 129 HD12 LEU 129 -3.575 0.661 -9.847
1033 1HD2 LEU 129 HD21 LEU 129 -6.337 -0.252 -8.425
1034 2HD2 LEU 129 HD23 LEU 129 -6.458 -1.606 -9.549
1035 3HD2 LEU 129 HD22 LEU 129 -4.894 -1.165 -8.863
No H/Q in entry = 1035
Start of MODEL 8
1 1H MET 1 HT2 MET 1 16.111 14.335 10.835
2 2H MET 1 HT1 MET 1 17.534 15.260 10.885
3 3H MET 1 HT3 MET 1 16.032 16.004 11.136
4 HA MET 1 HA MET 1 15.409 15.844 8.921
5 1HB MET 1 HB2 MET 1 18.339 16.462 9.271
6 2HB MET 1 HB1 MET 1 17.590 16.547 7.676
7 1HG MET 1 HG2 MET 1 15.828 17.871 9.453
8 2HG MET 1 HG1 MET 1 17.448 18.450 9.838
9 1HE MET 1 HE1 MET 1 14.591 18.161 7.386
10 2HE MET 1 HE3 MET 1 14.623 19.683 8.286
11 3HE MET 1 HE2 MET 1 14.779 19.690 6.532
12 H LYS 2 HN LYS 2 15.379 13.197 9.415
13 HA LYS 2 HA LYS 2 17.223 11.949 7.430
14 1HB LYS 2 HB2 LYS 2 15.900 11.021 9.911
15 2HB LYS 2 HB1 LYS 2 15.907 9.855 8.588
16 1HG LYS 2 HG2 LYS 2 17.933 9.465 9.787
17 2HG LYS 2 HG1 LYS 2 18.404 10.367 8.346
18 1HD LYS 2 HD2 LYS 2 18.016 12.466 9.897
19 2HD LYS 2 HD1 LYS 2 18.256 11.296 11.194
20 1HE LYS 2 HE2 LYS 2 20.441 12.033 10.798
21 2HE LYS 2 HE1 LYS 2 20.359 10.580 9.804
22 1HZ LYS 2 HZ3 LYS 2 19.385 12.817 8.370
23 2HZ LYS 2 HZ2 LYS 2 20.941 13.145 8.968
24 3HZ LYS 2 HZ1 LYS 2 20.673 11.782 7.988
25 H LYS 3 HN LYS 3 16.018 9.967 6.309
26 HA LYS 3 HA LYS 3 13.483 11.084 5.190
27 1HB LYS 3 HB2 LYS 3 15.018 8.849 3.900
28 2HB LYS 3 HB1 LYS 3 14.015 10.090 3.148
29 1HG LYS 3 HG2 LYS 3 15.913 11.224 2.712
30 2HG LYS 3 HG1 LYS 3 16.046 11.514 4.447
31 1HD LYS 3 HD2 LYS 3 17.637 9.889 4.740
32 2HD LYS 3 HD1 LYS 3 16.973 8.863 3.468
33 1HE LYS 3 HE2 LYS 3 17.788 10.703 1.838
34 2HE LYS 3 HE1 LYS 3 18.773 11.263 3.189
35 1HZ LYS 3 HZ3 LYS 3 19.364 8.714 3.288
36 2HZ LYS 3 HZ2 LYS 3 18.971 8.795 1.637
37 3HZ LYS 3 HZ1 LYS 3 20.201 9.781 2.271
38 H LEU 4 HN LEU 4 11.607 9.887 5.356
39 HA LEU 4 HA LEU 4 11.825 7.283 6.804
40 1HB LEU 4 HB2 LEU 4 9.159 8.536 6.450
41 2HB LEU 4 HB1 LEU 4 9.863 7.772 7.875
42 HG LEU 4 HG LEU 4 10.414 10.563 6.836
43 1HD1 LEU 4 HD12 LEU 4 8.855 9.363 9.071
44 2HD1 LEU 4 HD11 LEU 4 9.766 10.827 9.443
45 3HD1 LEU 4 HD13 LEU 4 8.556 10.843 8.160
46 1HD2 LEU 4 HD22 LEU 4 12.146 8.782 8.254
47 2HD2 LEU 4 HD21 LEU 4 12.419 10.479 7.860
48 3HD2 LEU 4 HD23 LEU 4 11.628 10.041 9.374
49 H GLN 5 HN GLN 5 12.137 5.869 5.053
50 HA GLN 5 HA GLN 5 10.189 5.991 2.817
51 1HB GLN 5 HB2 GLN 5 12.741 4.429 3.259
52 2HB GLN 5 HB1 GLN 5 11.668 4.132 1.890
53 1HG GLN 5 HG2 GLN 5 11.935 6.878 1.845
54 2HG GLN 5 HG1 GLN 5 13.541 6.349 2.351
55 1HE2 GLN 5 HE22 GLN 5 14.154 5.943 -1.131
56 2HE2 GLN 5 HE21 GLN 5 14.472 6.896 0.236
57 H ILE 6 HN ILE 6 8.319 4.879 3.163
58 HA ILE 6 HA ILE 6 8.378 2.494 4.924
59 HB ILE 6 HB ILE 6 5.856 3.596 3.746
60 1HG1 ILE 6 HG12 ILE 6 7.096 5.610 4.444
61 2HG1 ILE 6 HG11 ILE 6 5.764 5.293 5.555
62 1HG2 ILE 6 HG21 ILE 6 6.702 1.843 5.872
63 2HG2 ILE 6 HG23 ILE 6 5.732 3.161 6.528
64 3HG2 ILE 6 HG22 ILE 6 5.075 2.131 5.255
65 1HD1 ILE 6 HD13 ILE 6 8.651 4.483 6.006
66 2HD1 ILE 6 HD12 ILE 6 7.836 5.839 6.786
67 3HD1 ILE 6 HD11 ILE 6 7.313 4.189 7.115
68 H ALA 7 HN ALA 7 6.458 0.890 4.010
69 HA ALA 7 HA ALA 7 6.747 0.544 1.084
70 1HB ALA 7 HB2 ALA 7 8.680 -0.659 2.114
71 2HB ALA 7 HB1 ALA 7 7.539 -1.634 3.042
72 3HB ALA 7 HB3 ALA 7 7.567 -1.746 1.281
73 H VAL 8 HN VAL 8 4.527 0.618 0.726
74 HA VAL 8 HA VAL 8 2.861 -1.282 2.339
75 HB VAL 8 HB VAL 8 2.129 1.086 2.441
76 1HG1 VAL 8 HG12 VAL 8 2.441 0.824 -0.482
77 2HG1 VAL 8 HG11 VAL 8 1.000 1.687 0.040
78 3HG1 VAL 8 HG13 VAL 8 2.595 2.247 0.540
79 1HG2 VAL 8 HG21 VAL 8 0.467 -1.031 1.144
80 2HG2 VAL 8 HG23 VAL 8 0.261 -0.245 2.710
81 3HG2 VAL 8 HG22 VAL 8 -0.197 0.600 1.232
82 H GLY 9 HN GLY 9 1.877 -2.959 1.279
83 1HA GLY 9 HA2 GLY 9 2.255 -3.024 -1.686
84 2HA GLY 9 HA1 GLY 9 2.351 -4.459 -0.670
85 H ILE 10 HN ILE 10 0.288 -2.518 -2.527
86 HA ILE 10 HA ILE 10 -2.176 -3.407 -1.207
87 HB ILE 10 HB ILE 10 -2.097 -2.252 -3.979
88 1HG1 ILE 10 HG12 ILE 10 -2.101 -0.373 -1.644
89 2HG1 ILE 10 HG11 ILE 10 -0.550 -0.984 -2.190
90 1HG2 ILE 10 HG21 ILE 10 -4.129 -2.994 -2.431
91 2HG2 ILE 10 HG23 ILE 10 -3.893 -1.380 -1.762
92 3HG2 ILE 10 HG22 ILE 10 -4.246 -1.580 -3.478
93 1HD1 ILE 10 HD12 ILE 10 -2.553 0.187 -4.112
94 2HD1 ILE 10 HD11 ILE 10 -1.360 1.183 -3.282
95 3HD1 ILE 10 HD13 ILE 10 -0.832 -0.097 -4.371
96 H ILE 11 HN ILE 11 -3.497 -5.119 -2.054
97 HA ILE 11 HA ILE 11 -2.237 -6.592 -4.328
98 HB ILE 11 HB ILE 11 -3.512 -8.118 -2.096
99 1HG1 ILE 11 HG12 ILE 11 -0.714 -6.956 -2.097
100 2HG1 ILE 11 HG11 ILE 11 -2.012 -6.553 -0.978
101 1HG2 ILE 11 HG23 ILE 11 -2.401 -8.883 -4.430
102 2HG2 ILE 11 HG22 ILE 11 -0.952 -8.856 -3.430
103 3HG2 ILE 11 HG21 ILE 11 -2.316 -9.880 -2.979
104 1HD1 ILE 11 HD12 ILE 11 -1.244 -9.423 -1.281
105 2HD1 ILE 11 HD11 ILE 11 -0.188 -8.371 -0.340
106 3HD1 ILE 11 HD13 ILE 11 -1.874 -8.578 0.133
107 H ARG 12 HN ARG 12 -3.586 -7.121 -5.869
108 HA ARG 12 HA ARG 12 -6.495 -7.427 -5.287
109 1HB ARG 12 HB2 ARG 12 -5.495 -5.110 -6.407
110 2HB ARG 12 HB1 ARG 12 -5.927 -6.058 -7.830
111 1HG ARG 12 HG2 ARG 12 -8.193 -6.293 -7.105
112 2HG ARG 12 HG1 ARG 12 -7.811 -5.683 -5.495
113 1HD ARG 12 HD2 ARG 12 -8.933 -3.999 -7.020
114 2HD ARG 12 HD1 ARG 12 -7.393 -3.470 -6.342
115 HE ARG 12 HE ARG 12 -6.707 -4.643 -8.768
116 1HH1 ARG 12 HH21 ARG 12 -8.709 -2.083 -7.613
117 2HH1 ARG 12 HH22 ARG 12 -8.693 -1.219 -9.113
118 1HH2 ARG 12 HH11 ARG 12 -6.747 -3.569 -10.758
119 2HH2 ARG 12 HH12 ARG 12 -7.583 -2.057 -10.892
120 H ASN 13 HN ASN 13 -7.211 -9.297 -6.225
121 HA ASN 13 HA ASN 13 -5.640 -10.350 -8.546
122 1HB ASN 13 HB2 ASN 13 -6.573 -12.621 -7.699
123 2HB ASN 13 HB1 ASN 13 -5.254 -11.881 -6.796
124 1HD2 ASN 13 HD22 ASN 13 -7.295 -12.338 -3.934
125 2HD2 ASN 13 HD21 ASN 13 -5.874 -12.802 -4.739
126 H GLU 14 HN GLU 14 -7.337 -12.371 -9.344
127 HA GLU 14 HA GLU 14 -9.367 -10.895 -10.778
128 1HB GLU 14 HB2 GLU 14 -9.089 -13.900 -10.493
129 2HB GLU 14 HB1 GLU 14 -9.955 -13.036 -11.763
130 1HG GLU 14 HG2 GLU 14 -7.733 -11.910 -12.328
131 2HG GLU 14 HG1 GLU 14 -6.972 -13.099 -11.270
132 H ASN 15 HN ASN 15 -9.316 -11.938 -7.623
133 HA ASN 15 HA ASN 15 -12.076 -12.880 -7.429
134 1HB ASN 15 HB2 ASN 15 -9.930 -13.252 -5.857
135 2HB ASN 15 HB1 ASN 15 -10.611 -11.843 -5.050
136 1HD2 ASN 15 HD22 ASN 15 -13.500 -13.594 -3.868
137 2HD2 ASN 15 HD21 ASN 15 -12.867 -12.058 -4.206
138 H ASN 16 HN ASN 16 -10.910 -9.954 -8.204
139 HA ASN 16 HA ASN 16 -11.699 -7.771 -8.042
140 1HB ASN 16 HB2 ASN 16 -13.708 -8.710 -8.979
141 2HB ASN 16 HB1 ASN 16 -14.182 -9.382 -7.423
142 1HD2 ASN 16 HD22 ASN 16 -15.963 -6.472 -6.580
143 2HD2 ASN 16 HD21 ASN 16 -15.783 -8.153 -6.430
144 H GLU 17 HN GLU 17 -10.280 -8.552 -5.816
145 HA GLU 17 HA GLU 17 -11.617 -6.948 -3.716
146 1HB GLU 17 HB2 GLU 17 -10.271 -9.505 -2.886
147 2HB GLU 17 HB1 GLU 17 -11.485 -8.559 -2.027
148 1HG GLU 17 HG2 GLU 17 -12.984 -9.191 -4.121
149 2HG GLU 17 HG1 GLU 17 -11.843 -10.529 -4.250
150 H ILE 18 HN ILE 18 -10.138 -5.620 -2.736
151 HA ILE 18 HA ILE 18 -7.285 -6.041 -3.466
152 HB ILE 18 HB ILE 18 -8.123 -3.547 -2.084
153 1HG1 ILE 18 HG12 ILE 18 -8.675 -2.937 -4.718
154 2HG1 ILE 18 HG11 ILE 18 -9.420 -4.524 -4.537
155 1HG2 ILE 18 HG21 ILE 18 -5.821 -3.986 -2.945
156 2HG2 ILE 18 HG23 ILE 18 -6.481 -4.081 -4.577
157 3HG2 ILE 18 HG22 ILE 18 -6.561 -2.564 -3.680
158 1HD1 ILE 18 HD11 ILE 18 -10.143 -3.259 -2.193
159 2HD1 ILE 18 HD13 ILE 18 -10.206 -1.947 -3.370
160 3HD1 ILE 18 HD12 ILE 18 -11.166 -3.405 -3.622
161 H PHE 19 HN PHE 19 -5.668 -5.618 -1.710
162 HA PHE 19 HA PHE 19 -6.830 -6.267 0.965
163 1HB PHE 19 HB2 PHE 19 -5.495 -8.164 0.124
164 2HB PHE 19 HB1 PHE 19 -4.113 -7.089 -0.113
165 HD1 PHE 19 HD1 PHE 19 -6.650 -7.402 2.617
166 HD2 PHE 19 HD2 PHE 19 -2.498 -7.509 1.542
167 HE1 PHE 19 HE1 PHE 19 -6.047 -7.617 5.009
168 HE2 PHE 19 HE2 PHE 19 -1.889 -7.732 3.941
169 HZ PHE 19 HZ PHE 19 -3.666 -7.778 5.672
170 H ILE 20 HN ILE 20 -6.969 -3.948 1.301
171 HA ILE 20 HA ILE 20 -4.315 -2.710 1.850
172 HB ILE 20 HB ILE 20 -6.496 -0.801 1.610
173 1HG1 ILE 20 HG12 ILE 20 -6.403 -1.113 -1.016
174 2HG1 ILE 20 HG11 ILE 20 -6.079 -2.796 -0.596
175 1HG2 ILE 20 HG22 ILE 20 -3.734 -1.259 0.607
176 2HG2 ILE 20 HG21 ILE 20 -4.747 -0.130 -0.294
177 3HG2 ILE 20 HG23 ILE 20 -4.422 0.149 1.416
178 1HD1 ILE 20 HD11 ILE 20 -8.254 -1.658 0.985
179 2HD1 ILE 20 HD13 ILE 20 -8.589 -1.615 -0.747
180 3HD1 ILE 20 HD12 ILE 20 -8.214 -3.148 0.042
181 H THR 21 HN THR 21 -5.416 -0.508 3.269
182 HA THR 21 HA THR 21 -6.562 -1.960 5.616
183 HB THR 21 HB THR 21 -5.417 0.379 6.572
184 HG1 THR 21 HG1 THR 21 -4.144 0.847 4.932
185 1HG2 THR 21 HG21 THR 21 -4.940 -2.508 6.680
186 2HG2 THR 21 HG23 THR 21 -3.492 -1.549 6.984
187 3HG2 THR 21 HG22 THR 21 -4.926 -1.320 7.983
188 H ARG 22 HN ARG 22 -8.387 -1.090 6.560
189 HA ARG 22 HA ARG 22 -9.337 1.540 5.526
190 1HB ARG 22 HB2 ARG 22 -10.567 -0.089 4.260
191 2HB ARG 22 HB1 ARG 22 -10.865 -1.068 5.696
192 1HG ARG 22 HG2 ARG 22 -12.623 0.200 6.336
193 2HG ARG 22 HG1 ARG 22 -11.768 1.703 5.985
194 1HD ARG 22 HD2 ARG 22 -13.738 1.433 4.516
195 2HD ARG 22 HD1 ARG 22 -12.241 1.425 3.584
196 HE ARG 22 HE ARG 22 -12.709 -1.254 4.102
197 1HH1 ARG 22 HH21 ARG 22 -13.096 0.501 1.497
198 2HH1 ARG 22 HH22 ARG 22 -14.637 -0.104 0.986
199 1HH2 ARG 22 HH11 ARG 22 -15.318 -1.672 4.002
200 2HH2 ARG 22 HH12 ARG 22 -15.894 -1.334 2.404
201 H ARG 23 HN ARG 23 -9.714 2.858 7.245
202 HA ARG 23 HA ARG 23 -9.538 2.105 9.930
203 1HB ARG 23 HB2 ARG 23 -9.845 4.318 10.292
204 2HB ARG 23 HB1 ARG 23 -9.917 4.471 8.545
205 1HG ARG 23 HG2 ARG 23 -12.381 4.200 8.634
206 2HG ARG 23 HG1 ARG 23 -12.293 4.097 10.394
207 1HD ARG 23 HD2 ARG 23 -11.373 6.459 8.728
208 2HD ARG 23 HD1 ARG 23 -12.866 6.388 9.663
209 HE ARG 23 HE ARG 23 -10.545 7.282 10.793
210 1HH1 ARG 23 HH21 ARG 23 -13.108 6.203 12.233
211 2HH1 ARG 23 HH22 ARG 23 -12.367 5.179 13.417
212 1HH2 ARG 23 HH11 ARG 23 -9.266 5.181 11.861
213 2HH2 ARG 23 HH12 ARG 23 -10.190 4.600 13.206
214 H ALA 24 HN ALA 24 -10.723 0.457 10.767
215 HA ALA 24 HA ALA 24 -13.315 -0.333 9.915
216 1HB ALA 24 HB1 ALA 24 -11.694 -1.679 11.330
217 2HB ALA 24 HB3 ALA 24 -12.202 -0.702 12.708
218 3HB ALA 24 HB2 ALA 24 -13.371 -1.725 11.875
219 H ALA 25 HN ALA 25 -15.049 1.033 9.966
220 HA ALA 25 HA ALA 25 -16.075 1.994 12.489
221 1HB ALA 25 HB1 ALA 25 -14.235 3.714 11.112
222 2HB ALA 25 HB3 ALA 25 -15.843 4.434 11.041
223 3HB ALA 25 HB2 ALA 25 -15.127 4.031 12.601
224 H ASP 26 HN ASP 26 -17.471 0.457 10.922
225 HA ASP 26 HA ASP 26 -19.399 0.263 9.596
226 1HB ASP 26 HB2 ASP 26 -19.670 3.034 10.770
227 2HB ASP 26 HB1 ASP 26 -20.912 2.340 9.728
228 H ALA 27 HN ALA 27 -19.217 3.706 8.941
229 HA ALA 27 HA ALA 27 -19.144 4.785 6.846
230 1HB ALA 27 HB2 ALA 27 -16.671 3.054 6.931
231 2HB ALA 27 HB1 ALA 27 -16.983 4.150 5.585
232 3HB ALA 27 HB3 ALA 27 -16.803 4.788 7.219
233 H HIS 28 HN HIS 28 -17.577 1.978 5.456
234 HA HIS 28 HA HIS 28 -18.387 0.352 3.946
235 1HB HIS 28 HB2 HIS 28 -20.663 0.965 5.448
236 2HB HIS 28 HB1 HIS 28 -21.162 1.228 3.777
237 HD1 HIS 28 HD1 HIS 28 -21.663 -0.821 2.414
238 HD2 HIS 28 HD2 HIS 28 -19.477 -1.733 5.844
239 HE1 HIS 28 HE1 HIS 28 -21.525 -3.347 2.524
240 H MET 29 HN MET 29 -18.298 0.496 1.734
241 HA MET 29 HA MET 29 -18.332 1.462 -0.405
242 1HB MET 29 HB2 MET 29 -20.613 2.697 1.007
243 2HB MET 29 HB1 MET 29 -19.987 3.640 -0.346
244 1HG MET 29 HG2 MET 29 -20.311 1.832 -1.879
245 2HG MET 29 HG1 MET 29 -20.608 0.689 -0.571
246 1HE MET 29 HE3 MET 29 -22.555 -0.299 -1.052
247 2HE MET 29 HE2 MET 29 -24.133 0.394 -1.421
248 3HE MET 29 HE1 MET 29 -22.860 0.423 -2.639
249 H ALA 30 HN ALA 30 -19.093 4.569 1.027
250 HA ALA 30 HA ALA 30 -16.486 5.594 0.126
251 1HB ALA 30 HB3 ALA 30 -18.831 6.769 -0.024
252 2HB ALA 30 HB2 ALA 30 -18.508 7.220 1.650
253 3HB ALA 30 HB1 ALA 30 -17.408 7.734 0.370
254 H ASN 31 HN ASN 31 -14.952 4.758 1.575
255 HA ASN 31 HA ASN 31 -15.209 5.757 4.377
256 1HB ASN 31 HB2 ASN 31 -15.592 3.241 4.090
257 2HB ASN 31 HB1 ASN 31 -13.894 3.140 3.632
258 1HD2 ASN 31 HD22 ASN 31 -14.347 4.630 7.423
259 2HD2 ASN 31 HD21 ASN 31 -15.160 5.374 6.135
260 H LYS 32 HN LYS 32 -12.901 5.576 5.456
261 HA LYS 32 HA LYS 32 -11.031 6.895 3.567
262 1HB LYS 32 HB2 LYS 32 -10.916 6.611 6.585
263 2HB LYS 32 HB1 LYS 32 -9.801 7.561 5.601
264 1HG LYS 32 HG2 LYS 32 -12.795 8.007 5.799
265 2HG LYS 32 HG1 LYS 32 -11.557 9.001 6.567
266 1HD LYS 32 HD2 LYS 32 -10.891 8.741 3.798
267 2HD LYS 32 HD1 LYS 32 -12.585 9.217 3.911
268 1HE LYS 32 HE2 LYS 32 -11.689 10.926 5.702
269 2HE LYS 32 HE1 LYS 32 -10.144 10.665 4.892
270 1HZ LYS 32 HZ2 LYS 32 -11.562 11.054 2.770
271 2HZ LYS 32 HZ1 LYS 32 -12.617 11.849 3.840
272 3HZ LYS 32 HZ3 LYS 32 -11.014 12.381 3.677
273 H LEU 33 HN LEU 33 -9.350 5.774 2.724
274 HA LEU 33 HA LEU 33 -8.605 3.168 3.944
275 1HB LEU 33 HB2 LEU 33 -8.344 4.318 1.160
276 2HB LEU 33 HB1 LEU 33 -7.603 2.813 1.661
277 HG LEU 33 HG LEU 33 -10.560 3.433 1.761
278 1HD1 LEU 33 HD13 LEU 33 -9.678 3.046 -0.520
279 2HD1 LEU 33 HD12 LEU 33 -8.987 1.515 0.018
280 3HD1 LEU 33 HD11 LEU 33 -10.736 1.734 -0.004
281 1HD2 LEU 33 HD23 LEU 33 -8.916 1.044 2.615
282 2HD2 LEU 33 HD22 LEU 33 -10.088 1.954 3.566
283 3HD2 LEU 33 HD21 LEU 33 -10.637 0.910 2.255
284 H GLU 34 HN GLU 34 -6.087 2.786 3.081
285 HA GLU 34 HA GLU 34 -4.489 5.203 3.313
286 1HB GLU 34 HB2 GLU 34 -5.253 4.074 5.691
287 2HB GLU 34 HB1 GLU 34 -3.698 3.314 5.406
288 1HG GLU 34 HG2 GLU 34 -2.549 5.342 5.445
289 2HG GLU 34 HG1 GLU 34 -3.981 6.276 5.011
290 H PHE 35 HN PHE 35 -2.147 4.038 4.167
291 HA PHE 35 HA PHE 35 -1.591 1.648 2.542
292 1HB PHE 35 HB2 PHE 35 -0.415 4.365 1.882
293 2HB PHE 35 HB1 PHE 35 0.235 2.844 1.276
294 HD1 PHE 35 HD1 PHE 35 -1.588 1.224 0.186
295 HD2 PHE 35 HD2 PHE 35 -1.993 5.483 0.581
296 HE1 PHE 35 HE1 PHE 35 -3.256 1.234 -1.646
297 HE2 PHE 35 HE2 PHE 35 -3.664 5.492 -1.251
298 HZ PHE 35 HZ PHE 35 -4.294 3.367 -2.365
299 HA PRO 36 HA PRO 36 0.829 2.361 6.478
300 1HB PRO 36 HB2 PRO 36 0.355 -0.408 7.088
301 2HB PRO 36 HB1 PRO 36 -0.273 1.010 7.924
302 1HG PRO 36 HG2 PRO 36 -1.722 -0.805 6.220
303 2HG PRO 36 HG1 PRO 36 -2.346 0.614 7.068
304 1HD PRO 36 HD2 PRO 36 -1.860 0.317 4.238
305 2HD PRO 36 HD1 PRO 36 -2.493 1.738 5.092
306 H GLY 37 HN GLY 37 0.932 -1.033 5.493
307 1HA GLY 37 HA2 GLY 37 2.616 -2.033 4.048
308 2HA GLY 37 HA1 GLY 37 3.607 -0.590 4.267
309 H GLY 38 HN GLY 38 5.428 -1.811 4.990
310 1HA GLY 38 HA2 GLY 38 5.167 -2.730 7.810
311 2HA GLY 38 HA1 GLY 38 5.931 -3.802 6.635
312 H LYS 39 HN LYS 39 6.359 -0.366 6.313
313 HA LYS 39 HA LYS 39 8.223 1.011 6.671
314 1HB LYS 39 HB2 LYS 39 8.350 -0.947 8.819
315 2HB LYS 39 HB1 LYS 39 9.962 -0.451 8.299
316 1HG LYS 39 HG2 LYS 39 8.948 1.008 10.102
317 2HG LYS 39 HG1 LYS 39 9.437 1.877 8.647
318 1HD LYS 39 HD2 LYS 39 7.293 2.405 8.088
319 2HD LYS 39 HD1 LYS 39 6.674 0.832 8.588
320 1HE LYS 39 HE2 LYS 39 6.758 1.501 10.935
321 2HE LYS 39 HE1 LYS 39 7.493 3.042 10.496
322 1HZ LYS 39 HZ2 LYS 39 5.341 3.103 8.961
323 2HZ LYS 39 HZ1 LYS 39 4.733 2.160 10.237
324 3HZ LYS 39 HZ3 LYS 39 5.354 3.708 10.548
325 H ILE 40 HN ILE 40 10.282 1.247 5.746
326 HA ILE 40 HA ILE 40 11.149 -1.041 4.042
327 HB ILE 40 HB ILE 40 10.608 1.555 3.384
328 1HG1 ILE 40 HG12 ILE 40 12.747 0.460 1.727
329 2HG1 ILE 40 HG11 ILE 40 11.513 -0.737 2.132
330 1HG2 ILE 40 HG23 ILE 40 13.601 1.364 3.817
331 2HG2 ILE 40 HG22 ILE 40 12.816 2.609 2.846
332 3HG2 ILE 40 HG21 ILE 40 12.494 2.508 4.577
333 1HD1 ILE 40 HD11 ILE 40 10.224 1.750 1.516
334 2HD1 ILE 40 HD13 ILE 40 11.340 1.352 0.213
335 3HD1 ILE 40 HD12 ILE 40 10.083 0.206 0.677
336 H GLU 41 HN GLU 41 12.887 -2.170 4.803
337 HA GLU 41 HA GLU 41 14.530 -1.087 6.962
338 1HB GLU 41 HB2 GLU 41 15.410 -3.517 5.481
339 2HB GLU 41 HB1 GLU 41 15.315 -3.236 7.218
340 1HG GLU 41 HG2 GLU 41 13.444 -4.495 7.185
341 2HG GLU 41 HG1 GLU 41 12.654 -3.135 6.395
342 H MET 42 HN MET 42 17.071 -2.139 6.162
343 HA MET 42 HA MET 42 18.353 -0.001 4.982
344 1HB MET 42 HB2 MET 42 18.962 -2.797 5.401
345 2HB MET 42 HB1 MET 42 19.625 -2.260 3.858
346 1HG MET 42 HG2 MET 42 21.316 -1.310 5.003
347 2HG MET 42 HG1 MET 42 20.148 -0.162 5.654
348 1HE MET 42 HE2 MET 42 19.152 -0.060 7.572
349 2HE MET 42 HE1 MET 42 18.347 -1.589 7.920
350 3HE MET 42 HE3 MET 42 19.504 -0.912 9.075
351 H GLY 43 HN GLY 43 17.088 -2.831 3.197
352 1HA GLY 43 HA2 GLY 43 16.404 -3.039 0.968
353 2HA GLY 43 HA1 GLY 43 15.966 -1.335 1.072
354 H GLU 44 HN GLU 44 17.771 -3.395 -0.693
355 HA GLU 44 HA GLU 44 19.954 -1.416 -1.176
356 1HB GLU 44 HB2 GLU 44 19.724 -4.339 -1.963
357 2HB GLU 44 HB1 GLU 44 21.083 -3.290 -2.367
358 1HG GLU 44 HG2 GLU 44 21.495 -2.906 0.043
359 2HG GLU 44 HG1 GLU 44 20.155 -3.984 0.437
360 H THR 45 HN THR 45 16.995 -2.507 -2.368
361 HA THR 45 HA THR 45 17.275 -0.906 -4.780
362 HB THR 45 HB THR 45 18.083 -3.544 -5.003
363 HG1 THR 45 HG1 THR 45 17.571 -1.445 -6.582
364 1HG2 THR 45 HG21 THR 45 15.423 -3.897 -4.805
365 2HG2 THR 45 HG23 THR 45 15.539 -3.597 -6.536
366 3HG2 THR 45 HG22 THR 45 16.446 -4.919 -5.806
367 HA PRO 46 HA PRO 46 12.958 -0.395 -4.390
368 1HB PRO 46 HB2 PRO 46 12.138 -1.268 -7.008
369 2HB PRO 46 HB1 PRO 46 12.354 0.389 -6.426
370 1HG PRO 46 HG2 PRO 46 14.033 -1.043 -8.266
371 2HG PRO 46 HG1 PRO 46 14.279 0.588 -7.630
372 1HD PRO 46 HD2 PRO 46 15.729 -1.820 -6.966
373 2HD PRO 46 HD1 PRO 46 16.021 -0.173 -6.380
374 H GLU 47 HN GLU 47 13.753 -3.494 -5.972
375 HA GLU 47 HA GLU 47 11.213 -4.660 -5.046
376 1HB GLU 47 HB2 GLU 47 13.244 -5.324 -6.992
377 2HB GLU 47 HB1 GLU 47 12.942 -6.705 -5.937
378 1HG GLU 47 HG2 GLU 47 10.399 -5.961 -6.350
379 2HG GLU 47 HG1 GLU 47 11.098 -5.342 -7.846
380 H GLN 48 HN GLN 48 14.647 -5.416 -4.529
381 HA GLN 48 HA GLN 48 14.642 -7.305 -2.625
382 1HB GLN 48 HB2 GLN 48 16.466 -5.518 -3.583
383 2HB GLN 48 HB1 GLN 48 16.319 -5.004 -1.903
384 1HG GLN 48 HG2 GLN 48 16.864 -7.140 -1.090
385 2HG GLN 48 HG1 GLN 48 16.654 -7.878 -2.678
386 1HE2 GLN 48 HE22 GLN 48 19.761 -6.193 -3.868
387 2HE2 GLN 48 HE21 GLN 48 18.130 -6.212 -4.342
388 H ALA 49 HN ALA 49 13.742 -4.024 -2.251
389 HA ALA 49 HA ALA 49 13.659 -4.002 0.569
390 1HB ALA 49 HB2 ALA 49 12.409 -2.284 -1.524
391 2HB ALA 49 HB1 ALA 49 11.854 -2.123 0.142
392 3HB ALA 49 HB3 ALA 49 13.550 -1.842 -0.254
393 H VAL 50 HN VAL 50 10.797 -4.103 -1.592
394 HA VAL 50 HA VAL 50 9.180 -5.168 0.608
395 HB VAL 50 HB VAL 50 8.500 -3.605 -1.361
396 1HG1 VAL 50 HG12 VAL 50 8.019 -6.341 -2.556
397 2HG1 VAL 50 HG11 VAL 50 7.378 -4.832 -3.203
398 3HG1 VAL 50 HG13 VAL 50 9.119 -5.116 -3.187
399 1HG2 VAL 50 HG22 VAL 50 6.839 -5.835 -0.221
400 2HG2 VAL 50 HG21 VAL 50 6.918 -4.156 0.311
401 3HG2 VAL 50 HG23 VAL 50 6.146 -4.559 -1.221
402 H VAL 51 HN VAL 51 10.361 -6.405 -2.492
403 HA VAL 51 HA VAL 51 9.245 -8.895 -2.665
404 HB VAL 51 HB VAL 51 11.093 -7.873 -4.120
405 1HG1 VAL 51 HG11 VAL 51 12.700 -7.558 -2.224
406 2HG1 VAL 51 HG13 VAL 51 12.848 -9.310 -2.108
407 3HG1 VAL 51 HG12 VAL 51 13.385 -8.473 -3.565
408 1HG2 VAL 51 HG23 VAL 51 10.422 -10.608 -3.512
409 2HG2 VAL 51 HG22 VAL 51 10.849 -9.890 -5.067
410 3HG2 VAL 51 HG21 VAL 51 12.114 -10.498 -3.998
411 H ARG 52 HN ARG 52 12.037 -8.071 -0.582
412 HA ARG 52 HA ARG 52 12.143 -10.666 0.629
413 1HB ARG 52 HB2 ARG 52 14.169 -9.763 0.998
414 2HB ARG 52 HB1 ARG 52 13.602 -8.170 0.582
415 1HG ARG 52 HG2 ARG 52 12.849 -7.745 2.799
416 2HG ARG 52 HG1 ARG 52 13.128 -9.416 3.292
417 1HD ARG 52 HD2 ARG 52 15.506 -8.126 2.144
418 2HD ARG 52 HD1 ARG 52 14.932 -7.350 3.621
419 HE ARG 52 HE ARG 52 14.920 -10.041 4.258
420 1HH1 ARG 52 HH21 ARG 52 17.229 -8.936 2.136
421 2HH1 ARG 52 HH22 ARG 52 18.591 -9.237 3.162
422 1HH2 ARG 52 HH11 ARG 52 16.668 -9.957 5.954
423 2HH2 ARG 52 HH12 ARG 52 18.274 -9.814 5.322
424 H GLU 53 HN GLU 53 10.610 -7.536 1.371
425 HA GLU 53 HA GLU 53 9.871 -8.137 4.066
426 1HB GLU 53 HB2 GLU 53 8.711 -6.373 1.923
427 2HB GLU 53 HB1 GLU 53 7.850 -6.595 3.444
428 1HG GLU 53 HG2 GLU 53 10.434 -6.126 4.291
429 2HG GLU 53 HG1 GLU 53 10.289 -5.060 2.892
430 H LEU 54 HN LEU 54 8.811 -9.375 1.055
431 HA LEU 54 HA LEU 54 6.197 -10.283 1.887
432 1HB LEU 54 HB2 LEU 54 7.988 -10.764 -0.476
433 2HB LEU 54 HB1 LEU 54 6.595 -11.811 -0.220
434 HG LEU 54 HG LEU 54 6.291 -8.814 -0.161
435 1HD1 LEU 54 HD13 LEU 54 6.507 -10.642 -2.542
436 2HD1 LEU 54 HD12 LEU 54 5.489 -9.204 -2.609
437 3HD1 LEU 54 HD11 LEU 54 7.220 -9.047 -2.306
438 1HD2 LEU 54 HD22 LEU 54 4.454 -11.138 -0.817
439 2HD2 LEU 54 HD21 LEU 54 4.420 -10.182 0.659
440 3HD2 LEU 54 HD23 LEU 54 3.983 -9.441 -0.881
441 H GLN 55 HN GLN 55 9.014 -12.268 0.906
442 HA GLN 55 HA GLN 55 8.004 -14.604 2.159
443 1HB GLN 55 HB2 GLN 55 10.346 -15.472 1.935
444 2HB GLN 55 HB1 GLN 55 9.729 -14.746 0.450
445 1HG GLN 55 HG2 GLN 55 11.197 -13.001 0.538
446 2HG GLN 55 HG1 GLN 55 11.095 -12.875 2.294
447 1HE2 GLN 55 HE22 GLN 55 14.485 -14.218 1.331
448 2HE2 GLN 55 HE21 GLN 55 13.621 -12.822 0.898
449 H GLU 56 HN GLU 56 9.898 -11.975 3.540
450 HA GLU 56 HA GLU 56 10.659 -13.488 5.902
451 1HB GLU 56 HB2 GLU 56 11.493 -11.444 6.769
452 2HB GLU 56 HB1 GLU 56 11.754 -11.333 5.030
453 1HG GLU 56 HG2 GLU 56 10.665 -9.357 5.168
454 2HG GLU 56 HG1 GLU 56 9.198 -10.327 5.317
455 H GLU 57 HN GLU 57 7.682 -12.619 4.847
456 HA GLU 57 HA GLU 57 6.570 -12.719 7.581
457 1HB GLU 57 HB2 GLU 57 6.319 -10.477 5.631
458 2HB GLU 57 HB1 GLU 57 4.889 -10.905 6.567
459 1HG GLU 57 HG2 GLU 57 7.399 -10.752 8.119
460 2HG GLU 57 HG1 GLU 57 6.816 -9.217 7.473
461 H VAL 58 HN VAL 58 5.223 -12.205 4.261
462 HA VAL 58 HA VAL 58 3.529 -14.612 4.720
463 HB VAL 58 HB VAL 58 2.493 -12.244 4.404
464 1HG1 VAL 58 HG13 VAL 58 3.150 -12.943 1.527
465 2HG1 VAL 58 HG12 VAL 58 2.066 -11.653 2.040
466 3HG1 VAL 58 HG11 VAL 58 3.782 -11.564 2.429
467 1HG2 VAL 58 HG22 VAL 58 1.372 -14.519 4.277
468 2HG2 VAL 58 HG21 VAL 58 0.566 -13.191 3.441
469 3HG2 VAL 58 HG23 VAL 58 1.507 -14.367 2.525
470 H GLY 59 HN GLY 59 5.124 -12.754 2.121
471 1HA GLY 59 HA2 GLY 59 6.591 -13.517 0.503
472 2HA GLY 59 HA1 GLY 59 6.426 -15.133 1.161
473 H ILE 60 HN ILE 60 3.942 -12.960 -0.376
474 HA ILE 60 HA ILE 60 3.102 -15.300 -1.981
475 HB ILE 60 HB ILE 60 1.914 -13.227 -3.267
476 1HG1 ILE 60 HG12 ILE 60 2.087 -12.402 -0.379
477 2HG1 ILE 60 HG11 ILE 60 2.929 -11.606 -1.705
478 1HG2 ILE 60 HG21 ILE 60 1.048 -14.878 -0.918
479 2HG2 ILE 60 HG23 ILE 60 -0.025 -13.629 -1.549
480 3HG2 ILE 60 HG22 ILE 60 0.505 -14.946 -2.595
481 1HD1 ILE 60 HD13 ILE 60 0.712 -11.271 -2.829
482 2HD1 ILE 60 HD12 ILE 60 -0.061 -11.867 -1.360
483 3HD1 ILE 60 HD11 ILE 60 0.888 -10.381 -1.316
484 H THR 61 HN THR 61 4.080 -15.765 -3.822
485 HA THR 61 HA THR 61 5.259 -13.609 -5.458
486 HB THR 61 HB THR 61 6.967 -14.476 -3.805
487 HG1 THR 61 HG1 THR 61 8.556 -14.612 -5.442
488 1HG2 THR 61 HG22 THR 61 6.248 -16.839 -3.902
489 2HG2 THR 61 HG21 THR 61 6.758 -16.918 -5.588
490 3HG2 THR 61 HG23 THR 61 7.955 -16.671 -4.315
491 HA PRO 62 HA PRO 62 4.101 -17.687 -7.759
492 1HB PRO 62 HB2 PRO 62 1.433 -16.941 -8.389
493 2HB PRO 62 HB1 PRO 62 1.974 -18.365 -7.488
494 1HG PRO 62 HG2 PRO 62 0.690 -16.023 -6.458
495 2HG PRO 62 HG1 PRO 62 1.207 -17.446 -5.567
496 1HD PRO 62 HD2 PRO 62 2.381 -14.816 -5.533
497 2HD PRO 62 HD1 PRO 62 2.895 -16.273 -4.662
498 H GLN 63 HN GLN 63 2.603 -14.570 -8.151
499 HA GLN 63 HA GLN 63 4.138 -13.970 -10.561
500 1HB GLN 63 HB2 GLN 63 1.861 -13.593 -11.821
501 2HB GLN 63 HB1 GLN 63 2.563 -15.211 -11.766
502 1HG GLN 63 HG2 GLN 63 1.171 -15.630 -9.679
503 2HG GLN 63 HG1 GLN 63 0.345 -14.112 -10.022
504 1HE2 GLN 63 HE22 GLN 63 -0.488 -15.838 -13.386
505 2HE2 GLN 63 HE21 GLN 63 0.750 -14.729 -13.040
506 H HIS 64 HN HIS 64 1.573 -13.152 -8.310
507 HA HIS 64 HA HIS 64 0.804 -10.635 -8.985
508 1HB HIS 64 HB2 HIS 64 0.016 -10.461 -6.855
509 2HB HIS 64 HB1 HIS 64 0.418 -12.164 -6.845
510 HD1 HIS 64 HD1 HIS 64 0.857 -9.286 -4.826
511 HD2 HIS 64 HD2 HIS 64 3.372 -12.424 -5.909
512 HE1 HIS 64 HE1 HIS 64 2.734 -9.303 -3.139
513 H PHE 65 HN PHE 65 1.908 -8.932 -9.677
514 HA PHE 65 HA PHE 65 3.565 -7.403 -8.066
515 1HB PHE 65 HB2 PHE 65 4.963 -9.668 -9.124
516 2HB PHE 65 HB1 PHE 65 5.586 -8.189 -9.847
517 HD1 PHE 65 HD2 PHE 65 5.314 -6.180 -7.793
518 HD2 PHE 65 HD1 PHE 65 6.439 -10.307 -7.406
519 HE1 PHE 65 HE2 PHE 65 6.531 -5.651 -5.699
520 HE2 PHE 65 HE1 PHE 65 7.656 -9.778 -5.310
521 HZ PHE 65 HZ PHE 65 7.701 -7.449 -4.457
522 H SER 66 HN SER 66 3.639 -5.434 -8.999
523 HA SER 66 HA SER 66 4.058 -5.070 -11.841
524 1HB SER 66 HB2 SER 66 1.338 -5.234 -10.820
525 2HB SER 66 HB1 SER 66 1.653 -3.693 -11.612
526 HG SER 66 HG SER 66 1.260 -6.091 -12.709
527 H LEU 67 HN LEU 67 3.106 -3.686 -8.778
528 HA LEU 67 HA LEU 67 3.262 -1.483 -7.960
529 1HB LEU 67 HB2 LEU 67 5.515 -2.269 -7.530
530 2HB LEU 67 HB1 LEU 67 5.987 -1.918 -9.192
531 HG LEU 67 HG LEU 67 5.350 0.505 -8.753
532 1HD1 LEU 67 HD13 LEU 67 4.914 -0.696 -6.041
533 2HD1 LEU 67 HD12 LEU 67 5.531 0.953 -6.149
534 3HD1 LEU 67 HD11 LEU 67 3.983 0.540 -6.883
535 1HD2 LEU 67 HD23 LEU 67 7.664 -0.983 -7.831
536 2HD2 LEU 67 HD22 LEU 67 7.594 0.627 -8.548
537 3HD2 LEU 67 HD21 LEU 67 7.384 0.426 -6.808
538 H PHE 68 HN PHE 68 1.840 -0.246 -9.119
539 HA PHE 68 HA PHE 68 2.248 0.561 -11.826
540 1HB PHE 68 HB2 PHE 68 0.338 1.898 -11.505
541 2HB PHE 68 HB1 PHE 68 0.091 0.488 -10.519
542 HD1 PHE 68 HD1 PHE 68 0.185 0.615 -8.079
543 HD2 PHE 68 HD2 PHE 68 0.700 4.093 -10.546
544 HE1 PHE 68 HE1 PHE 68 -0.205 2.069 -6.109
545 HE2 PHE 68 HE2 PHE 68 0.316 5.548 -8.575
546 HZ PHE 68 HZ PHE 68 -0.143 4.532 -6.360
547 H GLU 69 HN GLU 69 2.575 2.402 -8.818
548 HA GLU 69 HA GLU 69 4.985 3.714 -9.570
549 1HB GLU 69 HB2 GLU 69 3.149 4.626 -11.244
550 2HB GLU 69 HB1 GLU 69 2.722 5.653 -9.875
551 1HG GLU 69 HG2 GLU 69 5.448 5.882 -9.879
552 2HG GLU 69 HG1 GLU 69 5.113 5.723 -11.603
553 H LYS 70 HN LYS 70 5.811 4.681 -7.763
554 HA LYS 70 HA LYS 70 4.062 4.922 -5.406
555 1HB LYS 70 HB2 LYS 70 6.180 5.087 -4.212
556 2HB LYS 70 HB1 LYS 70 6.221 3.700 -5.285
557 1HG LYS 70 HG2 LYS 70 7.808 4.632 -6.637
558 2HG LYS 70 HG1 LYS 70 7.161 6.262 -6.446
559 1HD LYS 70 HD2 LYS 70 8.875 6.664 -5.034
560 2HD LYS 70 HD1 LYS 70 8.084 5.573 -3.895
561 1HE LYS 70 HE2 LYS 70 9.694 4.032 -4.163
562 2HE LYS 70 HE1 LYS 70 9.491 4.058 -5.914
563 1HZ LYS 70 HZ1 LYS 70 10.757 6.429 -5.126
564 2HZ LYS 70 HZ3 LYS 70 11.582 5.134 -4.404
565 3HZ LYS 70 HZ2 LYS 70 11.376 5.175 -6.090
566 H LEU 71 HN LEU 71 4.527 6.895 -3.984
567 HA LEU 71 HA LEU 71 5.059 9.313 -5.665
568 1HB LEU 71 HB2 LEU 71 3.361 10.432 -4.056
569 2HB LEU 71 HB1 LEU 71 2.722 9.394 -5.326
570 HG LEU 71 HG LEU 71 2.738 7.492 -3.672
571 1HD1 LEU 71 HD13 LEU 71 3.743 9.731 -1.960
572 2HD1 LEU 71 HD12 LEU 71 2.676 8.536 -1.221
573 3HD1 LEU 71 HD11 LEU 71 4.196 8.027 -1.954
574 1HD2 LEU 71 HD22 LEU 71 1.017 9.876 -3.664
575 2HD2 LEU 71 HD21 LEU 71 0.572 8.170 -3.720
576 3HD2 LEU 71 HD23 LEU 71 0.925 8.939 -2.173
577 H GLU 72 HN GLU 72 4.977 11.212 -3.637
578 HA GLU 72 HA GLU 72 6.603 10.315 -1.372
579 1HB GLU 72 HB2 GLU 72 8.549 11.754 -1.947
580 2HB GLU 72 HB1 GLU 72 8.328 10.445 -3.109
581 1HG GLU 72 HG2 GLU 72 6.797 12.321 -4.289
582 2HG GLU 72 HG1 GLU 72 7.943 13.377 -3.460
583 H TYR 73 HN TYR 73 6.542 11.830 0.298
584 HA TYR 73 HA TYR 73 5.267 14.456 -0.332
585 1HB TYR 73 HB2 TYR 73 3.785 12.597 0.794
586 2HB TYR 73 HB1 TYR 73 4.685 13.027 2.247
587 HD1 TYR 73 HD1 TYR 73 5.040 16.014 1.092
588 HD2 TYR 73 HD2 TYR 73 1.698 13.433 1.891
589 HE1 TYR 73 HE1 TYR 73 3.586 17.995 1.410
590 HE2 TYR 73 HE2 TYR 73 0.244 15.418 2.206
591 HH TYR 73 HH TYR 73 1.557 18.647 2.360
592 H GLU 74 HN GLU 74 7.190 15.625 -0.126
593 HA GLU 74 HA GLU 74 8.927 15.240 2.223
594 1HB GLU 74 HB2 GLU 74 9.381 16.148 -0.332
595 2HB GLU 74 HB1 GLU 74 9.301 17.658 0.574
596 1HG GLU 74 HG2 GLU 74 10.815 15.889 2.166
597 2HG GLU 74 HG1 GLU 74 11.416 15.691 0.520
598 H PHE 75 HN PHE 75 8.142 15.997 4.108
599 HA PHE 75 HA PHE 75 6.336 18.292 4.218
600 1HB PHE 75 HB2 PHE 75 7.197 16.155 5.972
601 2HB PHE 75 HB1 PHE 75 7.296 17.706 6.805
602 HD1 PHE 75 HD2 PHE 75 4.981 16.325 4.197
603 HD2 PHE 75 HD1 PHE 75 5.387 18.044 8.112
604 HE1 PHE 75 HE2 PHE 75 2.514 16.335 4.445
605 HE2 PHE 75 HE1 PHE 75 2.920 18.056 8.362
606 HZ PHE 75 HZ PHE 75 1.483 17.201 6.527
607 HA PRO 76 HA PRO 76 9.258 21.444 5.158
608 1HB PRO 76 HB2 PRO 76 8.268 22.413 7.626
609 2HB PRO 76 HB1 PRO 76 7.780 22.946 6.010
610 1HG PRO 76 HG2 PRO 76 6.232 21.412 7.919
611 2HG PRO 76 HG1 PRO 76 5.728 22.004 6.331
612 1HD PRO 76 HD2 PRO 76 6.437 19.292 7.099
613 2HD PRO 76 HD1 PRO 76 5.797 19.866 5.545
614 H ASP 77 HN ASP 77 10.161 18.850 6.207
615 HA ASP 77 HA ASP 77 12.333 19.596 7.785
616 1HB ASP 77 HB2 ASP 77 9.900 19.513 9.297
617 2HB ASP 77 HB1 ASP 77 10.960 18.215 9.850
618 H ARG 78 HN ARG 78 10.064 17.136 6.850
619 HA ARG 78 HA ARG 78 12.211 15.109 7.166
620 1HB ARG 78 HB2 ARG 78 9.899 13.666 7.109
621 2HB ARG 78 HB1 ARG 78 10.706 14.177 8.583
622 1HG ARG 78 HG2 ARG 78 9.295 16.131 8.754
623 2HG ARG 78 HG1 ARG 78 8.578 15.802 7.178
624 1HD ARG 78 HD2 ARG 78 7.263 14.088 7.975
625 2HD ARG 78 HD1 ARG 78 8.427 13.629 9.216
626 HE ARG 78 HE ARG 78 6.200 15.098 9.835
627 1HH1 ARG 78 HH11 ARG 78 9.426 15.051 10.712
628 2HH1 ARG 78 HH12 ARG 78 9.424 16.593 11.500
629 1HH2 ARG 78 HH21 ARG 78 6.243 17.441 10.415
630 2HH2 ARG 78 HH22 ARG 78 7.624 17.946 11.332
631 H HIS 79 HN HIS 79 11.802 13.207 5.623
632 HA HIS 79 HA HIS 79 10.704 14.202 3.024
633 1HB HIS 79 HB2 HIS 79 13.029 12.292 3.170
634 2HB HIS 79 HB1 HIS 79 12.554 13.360 1.848
635 HD1 HIS 79 HD1 HIS 79 15.172 13.140 4.128
636 HD2 HIS 79 HD2 HIS 79 12.595 16.263 3.141
637 HE1 HIS 79 HE1 HIS 79 16.312 15.272 4.881
638 H ILE 80 HN ILE 80 8.747 13.050 3.318
639 HA ILE 80 HA ILE 80 8.783 10.209 4.008
640 HB ILE 80 HB ILE 80 6.515 11.879 2.881
641 1HG1 ILE 80 HG12 ILE 80 7.529 12.750 5.028
642 2HG1 ILE 80 HG11 ILE 80 5.842 12.258 5.174
643 1HG2 ILE 80 HG21 ILE 80 6.816 9.084 3.586
644 2HG2 ILE 80 HG23 ILE 80 5.600 9.849 4.609
645 3HG2 ILE 80 HG22 ILE 80 5.435 9.901 2.853
646 1HD1 ILE 80 HD13 ILE 80 6.630 10.021 5.999
647 2HD1 ILE 80 HD12 ILE 80 8.276 10.652 6.001
648 3HD1 ILE 80 HD11 ILE 80 7.060 11.355 7.068
649 H THR 81 HN THR 81 8.709 8.494 2.587
650 HA THR 81 HA THR 81 8.086 8.961 -0.253
651 HB THR 81 HB THR 81 10.638 7.515 0.084
652 HG1 THR 81 HG1 THR 81 11.655 9.060 1.046
653 1HG2 THR 81 HG22 THR 81 9.381 8.279 -2.053
654 2HG2 THR 81 HG21 THR 81 10.033 9.877 -1.687
655 3HG2 THR 81 HG23 THR 81 11.127 8.525 -1.985
656 H LEU 82 HN LEU 82 6.357 7.481 0.329
657 HA LEU 82 HA LEU 82 7.235 4.686 0.849
658 1HB LEU 82 HB2 LEU 82 4.512 4.675 1.107
659 2HB LEU 82 HB1 LEU 82 5.630 4.909 2.442
660 HG LEU 82 HG LEU 82 5.513 7.389 1.988
661 1HD1 LEU 82 HD13 LEU 82 4.641 6.987 -0.390
662 2HD1 LEU 82 HD12 LEU 82 3.070 6.681 0.350
663 3HD1 LEU 82 HD11 LEU 82 3.840 8.258 0.531
664 1HD2 LEU 82 HD23 LEU 82 3.155 5.730 2.848
665 2HD2 LEU 82 HD22 LEU 82 4.221 6.736 3.828
666 3HD2 LEU 82 HD21 LEU 82 3.008 7.487 2.790
667 H TRP 83 HN TRP 83 6.102 2.991 -0.428
668 HA TRP 83 HA TRP 83 5.000 4.013 -2.978
669 1HB TRP 83 HB2 TRP 83 6.118 1.911 -3.943
670 2HB TRP 83 HB1 TRP 83 7.109 3.328 -3.695
671 HD1 TRP 83 HD1 TRP 83 6.200 1.183 -0.676
672 HE1 TRP 83 HE1 TRP 83 8.306 -0.065 0.113
673 HE3 TRP 83 HE3 TRP 83 9.367 2.269 -4.530
674 HZ2 TRP 83 HZ2 TRP 83 10.981 -0.550 -0.776
675 HZ3 TRP 83 HZ3 TRP 83 11.686 1.398 -4.534
676 HH2 TRP 83 HH2 TRP 83 12.493 -0.007 -2.660
677 H PHE 84 HN PHE 84 3.473 2.609 -4.010
678 HA PHE 84 HA PHE 84 2.478 0.394 -2.261
679 1HB PHE 84 HB2 PHE 84 0.503 1.428 -4.160
680 2HB PHE 84 HB1 PHE 84 0.321 1.069 -2.450
681 HD1 PHE 84 HD1 PHE 84 2.396 2.949 -1.309
682 HD2 PHE 84 HD2 PHE 84 -0.554 3.494 -4.375
683 HE1 PHE 84 HE1 PHE 84 2.334 5.372 -0.811
684 HE2 PHE 84 HE2 PHE 84 -0.620 5.916 -3.878
685 HZ PHE 84 HZ PHE 84 0.820 6.864 -2.106
686 H TRP 85 HN TRP 85 2.760 -1.541 -3.261
687 HA TRP 85 HA TRP 85 3.228 -1.499 -6.189
688 1HB TRP 85 HB2 TRP 85 3.583 -3.780 -4.216
689 2HB TRP 85 HB1 TRP 85 4.132 -3.752 -5.890
690 HD1 TRP 85 HD1 TRP 85 4.542 -1.283 -2.919
691 HE1 TRP 85 HE1 TRP 85 7.022 -0.596 -2.796
692 HE3 TRP 85 HE3 TRP 85 6.415 -4.036 -6.792
693 HZ2 TRP 85 HZ2 TRP 85 9.475 -1.139 -4.158
694 HZ3 TRP 85 HZ3 TRP 85 8.827 -3.932 -7.355
695 HH2 TRP 85 HH2 TRP 85 10.357 -2.488 -6.043
696 H LEU 86 HN LEU 86 1.202 -1.446 -7.132
697 HA LEU 86 HA LEU 86 -1.019 -3.044 -6.197
698 1HB LEU 86 HB2 LEU 86 -0.555 -1.084 -8.238
699 2HB LEU 86 HB1 LEU 86 -1.280 -2.504 -8.990
700 HG LEU 86 HG LEU 86 -3.144 -2.458 -7.471
701 1HD1 LEU 86 HD12 LEU 86 -1.324 -1.275 -5.707
702 2HD1 LEU 86 HD11 LEU 86 -2.507 -0.009 -6.025
703 3HD1 LEU 86 HD13 LEU 86 -3.034 -1.570 -5.402
704 1HD2 LEU 86 HD23 LEU 86 -2.373 0.217 -8.634
705 2HD2 LEU 86 HD22 LEU 86 -3.565 -0.938 -9.227
706 3HD2 LEU 86 HD21 LEU 86 -3.901 0.011 -7.780
707 H VAL 87 HN VAL 87 -0.159 -5.137 -5.973
708 HA VAL 87 HA VAL 87 1.346 -6.496 -7.947
709 HB VAL 87 HB VAL 87 1.158 -8.347 -6.609
710 1HG1 VAL 87 HG12 VAL 87 1.366 -5.989 -5.278
711 2HG1 VAL 87 HG11 VAL 87 0.015 -6.740 -4.430
712 3HG1 VAL 87 HG13 VAL 87 1.568 -7.571 -4.527
713 1HG2 VAL 87 HG23 VAL 87 -1.272 -8.688 -7.072
714 2HG2 VAL 87 HG22 VAL 87 -0.845 -9.041 -5.404
715 3HG2 VAL 87 HG21 VAL 87 -1.643 -7.522 -5.804
716 H GLU 88 HN GLU 88 0.443 -8.612 -8.969
717 HA GLU 88 HA GLU 88 -1.928 -7.802 -10.581
718 1HB GLU 88 HB2 GLU 88 0.411 -9.601 -11.008
719 2HB GLU 88 HB1 GLU 88 -1.099 -10.059 -11.795
720 1HG GLU 88 HG2 GLU 88 -0.003 -7.253 -11.984
721 2HG GLU 88 HG1 GLU 88 0.476 -8.514 -13.120
722 H ARG 89 HN ARG 89 -0.778 -11.010 -9.499
723 HA ARG 89 HA ARG 89 -3.193 -11.488 -7.948
724 1HB ARG 89 HB2 ARG 89 -3.825 -13.499 -9.344
725 2HB ARG 89 HB1 ARG 89 -4.126 -11.948 -10.128
726 1HG ARG 89 HG2 ARG 89 -1.423 -12.848 -10.643
727 2HG ARG 89 HG1 ARG 89 -2.597 -14.068 -11.144
728 1HD ARG 89 HD2 ARG 89 -3.793 -12.447 -12.496
729 2HD ARG 89 HD1 ARG 89 -2.785 -11.135 -11.888
730 HE ARG 89 HE ARG 89 -0.977 -12.907 -13.032
731 1HH1 ARG 89 HH21 ARG 89 -3.788 -11.141 -13.987
732 2HH1 ARG 89 HH22 ARG 89 -3.343 -11.084 -15.659
733 1HH2 ARG 89 HH11 ARG 89 -0.416 -12.887 -15.224
734 2HH2 ARG 89 HH12 ARG 89 -1.439 -12.070 -16.359
735 H TRP 90 HN TRP 90 -2.881 -13.379 -6.606
736 HA TRP 90 HA TRP 90 -0.230 -14.681 -6.956
737 1HB TRP 90 HB2 TRP 90 0.065 -14.531 -4.455
738 2HB TRP 90 HB1 TRP 90 0.144 -12.984 -5.281
739 HD1 TRP 90 HD1 TRP 90 -1.519 -14.645 -2.499
740 HE1 TRP 90 HE1 TRP 90 -3.573 -13.319 -1.699
741 HE3 TRP 90 HE3 TRP 90 -2.043 -11.359 -6.389
742 HZ2 TRP 90 HZ2 TRP 90 -5.222 -11.161 -2.572
743 HZ3 TRP 90 HZ3 TRP 90 -3.873 -9.691 -6.372
744 HH2 TRP 90 HH2 TRP 90 -5.458 -9.585 -4.473
745 H GLU 91 HN GLU 91 -0.148 -16.336 -4.862
746 HA GLU 91 HA GLU 91 -2.683 -17.892 -4.919
747 1HB GLU 91 HB2 GLU 91 -0.638 -18.696 -6.352
748 2HB GLU 91 HB1 GLU 91 0.016 -19.196 -4.792
749 1HG GLU 91 HG2 GLU 91 -2.149 -20.396 -4.364
750 2HG GLU 91 HG1 GLU 91 -2.602 -20.047 -6.033
751 H GLY 92 HN GLY 92 0.271 -16.991 -3.188
752 1HA GLY 92 HA2 GLY 92 -0.283 -18.543 -0.819
753 2HA GLY 92 HA1 GLY 92 0.860 -17.206 -0.925
754 H GLU 93 HN GLU 93 0.303 -15.893 0.774
755 HA GLU 93 HA GLU 93 -2.565 -15.074 0.950
756 1HB GLU 93 HB2 GLU 93 -0.867 -16.227 2.932
757 2HB GLU 93 HB1 GLU 93 -1.199 -14.562 3.410
758 1HG GLU 93 HG2 GLU 93 -3.669 -15.124 2.811
759 2HG GLU 93 HG1 GLU 93 -3.148 -16.805 2.922
760 HA PRO 94 HA PRO 94 -0.925 -11.024 0.114
761 1HB PRO 94 HB2 PRO 94 -3.387 -9.789 0.825
762 2HB PRO 94 HB1 PRO 94 -2.854 -10.235 -0.802
763 1HG PRO 94 HG2 PRO 94 -4.934 -11.465 0.761
764 2HG PRO 94 HG1 PRO 94 -4.408 -11.901 -0.863
765 1HD PRO 94 HD2 PRO 94 -3.902 -13.279 1.644
766 2HD PRO 94 HD1 PRO 94 -3.508 -13.810 0.004
767 H TRP 95 HN TRP 95 0.376 -10.031 1.626
768 HA TRP 95 HA TRP 95 -0.805 -9.535 4.327
769 1HB TRP 95 HB2 TRP 95 1.128 -10.269 5.330
770 2HB TRP 95 HB1 TRP 95 0.984 -11.353 3.953
771 HD1 TRP 95 HD1 TRP 95 3.703 -10.899 5.279
772 HE1 TRP 95 HE1 TRP 95 5.671 -9.868 4.016
773 HE3 TRP 95 HE3 TRP 95 1.225 -8.430 1.503
774 HZ2 TRP 95 HZ2 TRP 95 6.174 -8.196 1.783
775 HZ3 TRP 95 HZ3 TRP 95 2.511 -7.127 -0.159
776 HH2 TRP 95 HH2 TRP 95 4.980 -7.009 -0.030
777 H GLY 96 HN GLY 96 -0.793 -7.555 2.222
778 1HA GLY 96 HA2 GLY 96 1.340 -5.751 2.227
779 2HA GLY 96 HA1 GLY 96 -0.335 -5.229 2.081
780 H LYS 97 HN LYS 97 -0.755 -6.549 4.824
781 HA LYS 97 HA LYS 97 0.220 -4.227 6.403
782 1HB LYS 97 HB2 LYS 97 -2.275 -5.775 6.288
783 2HB LYS 97 HB1 LYS 97 -1.695 -5.473 7.922
784 1HG LYS 97 HG2 LYS 97 -3.128 -3.625 7.247
785 2HG LYS 97 HG1 LYS 97 -1.463 -3.051 7.339
786 1HD LYS 97 HD2 LYS 97 -2.461 -2.227 5.277
787 2HD LYS 97 HD1 LYS 97 -1.243 -3.439 4.877
788 1HE LYS 97 HE2 LYS 97 -3.546 -4.946 5.228
789 2HE LYS 97 HE1 LYS 97 -4.133 -3.489 4.430
790 1HZ LYS 97 HZ2 LYS 97 -1.834 -5.116 3.492
791 2HZ LYS 97 HZ1 LYS 97 -3.410 -5.217 2.864
792 3HZ LYS 97 HZ3 LYS 97 -2.525 -3.782 2.696
793 H GLU 98 HN GLU 98 0.043 -5.129 8.934
794 HA GLU 98 HA GLU 98 1.516 -7.708 9.100
795 1HB GLU 98 HB2 GLU 98 3.259 -5.986 9.010
796 2HB GLU 98 HB1 GLU 98 2.462 -5.084 10.298
797 1HG GLU 98 HG2 GLU 98 2.816 -7.785 11.182
798 2HG GLU 98 HG1 GLU 98 4.358 -7.198 10.556
799 H GLY 99 HN GLY 99 -0.066 -5.030 10.808
800 1HA GLY 99 HA2 GLY 99 -1.376 -6.987 12.590
801 2HA GLY 99 HA1 GLY 99 -0.370 -5.769 13.376
802 H GLN 100 HN GLN 100 -2.012 -4.940 10.437
803 HA GLN 100 HA GLN 100 -3.745 -3.089 11.995
804 1HB GLN 100 HB2 GLN 100 -2.255 -2.893 9.519
805 2HB GLN 100 HB1 GLN 100 -3.957 -2.524 9.244
806 1HG GLN 100 HG2 GLN 100 -3.724 -0.522 10.241
807 2HG GLN 100 HG1 GLN 100 -3.102 -1.291 11.701
808 1HE2 GLN 100 HE22 GLN 100 -0.467 0.943 10.120
809 2HE2 GLN 100 HE21 GLN 100 -2.089 1.219 10.535
810 HA PRO 101 HA PRO 101 -7.486 -5.005 10.770
811 1HB PRO 101 HB2 PRO 101 -8.844 -2.770 9.677
812 2HB PRO 101 HB1 PRO 101 -8.875 -3.310 11.361
813 1HG PRO 101 HG2 PRO 101 -7.576 -0.957 10.257
814 2HG PRO 101 HG1 PRO 101 -7.718 -1.439 11.953
815 1HD PRO 101 HD2 PRO 101 -5.380 -1.573 10.264
816 2HD PRO 101 HD1 PRO 101 -5.523 -2.041 11.972
817 H GLY 102 HN GLY 102 -5.379 -3.993 8.425
818 1HA GLY 102 HA2 GLY 102 -6.630 -3.692 6.010
819 2HA GLY 102 HA1 GLY 102 -5.224 -4.718 6.164
820 H GLU 103 HN GLU 103 -7.645 -4.979 4.481
821 HA GLU 103 HA GLU 103 -8.121 -7.823 5.009
822 1HB GLU 103 HB2 GLU 103 -10.504 -7.698 5.361
823 2HB GLU 103 HB1 GLU 103 -9.733 -6.641 6.545
824 1HG GLU 103 HG2 GLU 103 -10.058 -4.789 4.727
825 2HG GLU 103 HG1 GLU 103 -11.262 -5.896 4.066
826 H TRP 104 HN TRP 104 -10.242 -8.359 3.434
827 HA TRP 104 HA TRP 104 -9.283 -7.494 0.769
828 1HB TRP 104 HB2 TRP 104 -11.390 -9.569 1.410
829 2HB TRP 104 HB1 TRP 104 -10.507 -9.371 -0.103
830 HD1 TRP 104 HD1 TRP 104 -7.854 -8.760 2.069
831 HE1 TRP 104 HE1 TRP 104 -6.548 -10.880 2.736
832 HE3 TRP 104 HE3 TRP 104 -11.257 -12.334 0.769
833 HZ2 TRP 104 HZ2 TRP 104 -6.903 -13.720 2.720
834 HZ3 TRP 104 HZ3 TRP 104 -10.749 -14.737 1.104
835 HH2 TRP 104 HH2 TRP 104 -8.578 -15.433 2.076
836 H MET 105 HN MET 105 -10.225 -5.486 0.340
837 HA MET 105 HA MET 105 -13.057 -5.023 0.959
838 1HB MET 105 HB2 MET 105 -10.737 -3.413 0.256
839 2HB MET 105 HB1 MET 105 -12.140 -2.973 -0.717
840 1HG MET 105 HG2 MET 105 -12.141 -1.655 1.337
841 2HG MET 105 HG1 MET 105 -13.491 -2.790 1.372
842 1HE MET 105 HE1 MET 105 -9.854 -2.562 1.774
843 2HE MET 105 HE3 MET 105 -10.057 -1.793 3.353
844 3HE MET 105 HE2 MET 105 -9.399 -3.423 3.242
845 H SER 106 HN SER 106 -13.824 -3.562 -1.321
846 HA SER 106 HA SER 106 -13.562 -5.476 -3.580
847 1HB SER 106 HB2 SER 106 -15.698 -5.757 -2.004
848 2HB SER 106 HB1 SER 106 -16.292 -4.417 -2.981
849 HG SER 106 HG SER 106 -15.051 -6.548 -4.290
850 H LEU 107 HN LEU 107 -12.588 -4.044 -4.984
851 HA LEU 107 HA LEU 107 -14.183 -1.638 -5.703
852 1HB LEU 107 HB2 LEU 107 -11.268 -1.707 -4.919
853 2HB LEU 107 HB1 LEU 107 -11.907 -0.435 -5.962
854 HG LEU 107 HG LEU 107 -13.306 -1.103 -3.385
855 1HD1 LEU 107 HD11 LEU 107 -10.685 0.263 -3.749
856 2HD1 LEU 107 HD13 LEU 107 -11.832 1.025 -2.648
857 3HD1 LEU 107 HD12 LEU 107 -11.303 -0.633 -2.361
858 1HD2 LEU 107 HD21 LEU 107 -12.986 1.395 -5.079
859 2HD2 LEU 107 HD23 LEU 107 -14.428 0.386 -4.966
860 3HD2 LEU 107 HD22 LEU 107 -13.895 1.320 -3.568
861 H VAL 108 HN VAL 108 -10.960 -2.719 -6.750
862 HA VAL 108 HA VAL 108 -10.202 -3.465 -8.829
863 HB VAL 108 HB VAL 108 -12.511 -4.817 -8.329
864 1HG1 VAL 108 HG12 VAL 108 -13.515 -2.956 -10.015
865 2HG1 VAL 108 HG11 VAL 108 -12.936 -4.126 -11.198
866 3HG1 VAL 108 HG13 VAL 108 -14.108 -4.614 -9.975
867 1HG2 VAL 108 HG21 VAL 108 -10.264 -5.481 -9.422
868 2HG2 VAL 108 HG23 VAL 108 -11.702 -6.391 -9.888
869 3HG2 VAL 108 HG22 VAL 108 -11.066 -5.137 -10.954
870 H GLY 109 HN GLY 109 -11.240 -0.751 -8.239
871 1HA GLY 109 HA2 GLY 109 -10.800 0.498 -10.742
872 2HA GLY 109 HA1 GLY 109 -12.548 0.410 -10.480
873 H LEU 110 HN LEU 110 -9.916 0.796 -8.149
874 HA LEU 110 HA LEU 110 -11.022 2.412 -6.297
875 1HB LEU 110 HB2 LEU 110 -8.362 1.904 -7.228
876 2HB LEU 110 HB1 LEU 110 -8.506 3.617 -6.857
877 HG LEU 110 HG LEU 110 -9.263 1.344 -5.000
878 1HD1 LEU 110 HD11 LEU 110 -6.743 2.231 -5.584
879 2HD1 LEU 110 HD13 LEU 110 -7.174 3.294 -4.246
880 3HD1 LEU 110 HD12 LEU 110 -7.213 1.544 -4.031
881 1HD2 LEU 110 HD23 LEU 110 -10.638 3.449 -4.796
882 2HD2 LEU 110 HD22 LEU 110 -9.695 3.072 -3.355
883 3HD2 LEU 110 HD21 LEU 110 -9.146 4.328 -4.464
884 H ASN 111 HN ASN 111 -11.239 4.745 -5.991
885 HA ASN 111 HA ASN 111 -11.131 6.337 -8.511
886 1HB ASN 111 HB2 ASN 111 -13.503 5.426 -7.419
887 2HB ASN 111 HB1 ASN 111 -13.363 7.051 -6.747
888 1HD2 ASN 111 HD22 ASN 111 -13.821 6.587 -10.800
889 2HD2 ASN 111 HD21 ASN 111 -13.347 5.261 -9.854
890 H ALA 112 HN ALA 112 -9.853 6.049 -5.583
891 HA ALA 112 HA ALA 112 -8.621 7.592 -4.298
892 1HB ALA 112 HB2 ALA 112 -8.544 8.807 -6.595
893 2HB ALA 112 HB1 ALA 112 -9.798 9.843 -5.914
894 3HB ALA 112 HB3 ALA 112 -8.217 9.746 -5.138
895 H ASP 113 HN ASP 113 -12.012 7.636 -4.689
896 HA ASP 113 HA ASP 113 -12.625 9.742 -2.808
897 1HB ASP 113 HB2 ASP 113 -14.120 8.586 -4.648
898 2HB ASP 113 HB1 ASP 113 -14.484 7.455 -3.346
899 H ASP 114 HN ASP 114 -12.363 6.205 -2.645
900 HA ASP 114 HA ASP 114 -12.993 6.138 0.193
901 1HB ASP 114 HB2 ASP 114 -12.059 3.746 -0.121
902 2HB ASP 114 HB1 ASP 114 -13.550 4.149 -0.959
903 H PHE 115 HN PHE 115 -10.402 7.284 -1.481
904 HA PHE 115 HA PHE 115 -8.498 6.502 0.683
905 1HB PHE 115 HB2 PHE 115 -8.157 6.786 -2.268
906 2HB PHE 115 HB1 PHE 115 -6.814 7.289 -1.240
907 HD1 PHE 115 HD2 PHE 115 -5.736 5.667 0.317
908 HD2 PHE 115 HD1 PHE 115 -8.784 4.473 -2.464
909 HE1 PHE 115 HE2 PHE 115 -5.105 3.293 0.631
910 HE2 PHE 115 HE1 PHE 115 -8.149 2.099 -2.146
911 HZ PHE 115 HZ PHE 115 -6.307 1.509 -0.596
912 HA PRO 116 HA PRO 116 -9.246 10.811 1.775
913 1HB PRO 116 HB2 PRO 116 -6.742 10.279 3.271
914 2HB PRO 116 HB1 PRO 116 -8.289 10.894 3.868
915 1HG PRO 116 HG2 PRO 116 -7.338 8.280 4.201
916 2HG PRO 116 HG1 PRO 116 -9.027 8.780 4.382
917 1HD PRO 116 HD2 PRO 116 -7.870 7.118 2.306
918 2HD PRO 116 HD1 PRO 116 -9.574 7.569 2.536
919 HA PRO 117 HA PRO 117 -6.733 12.946 -1.083
920 1HB PRO 117 HB2 PRO 117 -6.279 15.188 0.688
921 2HB PRO 117 HB1 PRO 117 -7.375 15.082 -0.695
922 1HG PRO 117 HG2 PRO 117 -8.080 15.089 2.092
923 2HG PRO 117 HG1 PRO 117 -9.166 14.926 0.706
924 1HD PRO 117 HD2 PRO 117 -8.410 12.891 2.596
925 2HD PRO 117 HD1 PRO 117 -9.481 12.726 1.191
926 H ALA 118 HN ALA 118 -4.649 14.748 -0.547
927 HA ALA 118 HA ALA 118 -2.424 14.916 0.242
928 1HB ALA 118 HB1 ALA 118 -3.455 13.606 2.303
929 2HB ALA 118 HB3 ALA 118 -2.582 12.247 1.594
930 3HB ALA 118 HB2 ALA 118 -1.708 13.699 2.083
931 H ASN 119 HN ASN 119 -3.560 11.681 -0.754
932 HA ASN 119 HA ASN 119 -1.013 11.226 -2.165
933 1HB ASN 119 HB2 ASN 119 -3.400 9.507 -1.473
934 2HB ASN 119 HB1 ASN 119 -2.099 8.958 -2.514
935 1HD2 ASN 119 HD22 ASN 119 -0.332 7.929 0.352
936 2HD2 ASN 119 HD21 ASN 119 -0.934 7.516 -1.178
937 H GLU 120 HN GLU 120 -2.921 13.233 -3.094
938 HA GLU 120 HA GLU 120 -4.555 12.294 -5.218
939 1HB GLU 120 HB2 GLU 120 -3.284 14.935 -4.574
940 2HB GLU 120 HB1 GLU 120 -4.177 14.717 -6.080
941 1HG GLU 120 HG2 GLU 120 -5.830 13.561 -4.159
942 2HG GLU 120 HG1 GLU 120 -5.190 14.994 -3.355
943 HA PRO 121 HA PRO 121 -0.701 13.410 -8.032
944 1HB PRO 121 HB2 PRO 121 1.559 12.325 -6.579
945 2HB PRO 121 HB1 PRO 121 1.326 13.962 -7.208
946 1HG PRO 121 HG2 PRO 121 1.245 13.167 -4.476
947 2HG PRO 121 HG1 PRO 121 0.816 14.753 -5.131
948 1HD PRO 121 HD2 PRO 121 -0.940 12.686 -4.090
949 2HD PRO 121 HD1 PRO 121 -1.357 14.343 -4.571
950 H VAL 122 HN VAL 122 -0.473 10.498 -5.895
951 HA VAL 122 HA VAL 122 0.080 8.912 -8.337
952 HB VAL 122 HB VAL 122 0.767 8.710 -5.518
953 1HG1 VAL 122 HG12 VAL 122 -0.481 6.298 -6.839
954 2HG1 VAL 122 HG11 VAL 122 0.593 6.198 -5.443
955 3HG1 VAL 122 HG13 VAL 122 -0.948 7.046 -5.312
956 1HG2 VAL 122 HG22 VAL 122 2.329 8.703 -7.451
957 2HG2 VAL 122 HG21 VAL 122 2.534 7.282 -6.426
958 3HG2 VAL 122 HG23 VAL 122 1.666 7.149 -7.955
959 H ILE 123 HN ILE 123 -2.180 9.017 -5.584
960 HA ILE 123 HA ILE 123 -3.972 6.994 -6.274
961 HB ILE 123 HB ILE 123 -4.580 9.783 -5.258
962 1HG1 ILE 123 HG12 ILE 123 -2.972 8.157 -4.001
963 2HG1 ILE 123 HG11 ILE 123 -4.274 8.922 -3.091
964 1HG2 ILE 123 HG21 ILE 123 -6.241 7.253 -5.262
965 2HG2 ILE 123 HG23 ILE 123 -6.653 8.721 -4.377
966 3HG2 ILE 123 HG22 ILE 123 -6.593 8.742 -6.140
967 1HD1 ILE 123 HD12 ILE 123 -4.967 6.356 -4.410
968 2HD1 ILE 123 HD11 ILE 123 -3.823 6.244 -3.074
969 3HD1 ILE 123 HD13 ILE 123 -5.415 6.958 -2.814
970 H ALA 124 HN ALA 124 -3.561 10.198 -7.701
971 HA ALA 124 HA ALA 124 -5.898 10.365 -9.265
972 1HB ALA 124 HB3 ALA 124 -3.188 11.517 -9.357
973 2HB ALA 124 HB2 ALA 124 -3.998 11.446 -10.922
974 3HB ALA 124 HB1 ALA 124 -4.752 12.301 -9.577
975 H LYS 125 HN LYS 125 -2.806 8.787 -10.051
976 HA LYS 125 HA LYS 125 -3.491 7.935 -12.670
977 1HB LYS 125 HB2 LYS 125 -1.406 7.372 -10.713
978 2HB LYS 125 HB1 LYS 125 -1.849 5.931 -11.627
979 1HG LYS 125 HG2 LYS 125 -1.572 7.218 -13.739
980 2HG LYS 125 HG1 LYS 125 -1.041 8.609 -12.794
981 1HD LYS 125 HD2 LYS 125 1.052 7.785 -12.798
982 2HD LYS 125 HD1 LYS 125 0.475 6.380 -11.901
983 1HE LYS 125 HE2 LYS 125 -0.343 6.011 -14.589
984 2HE LYS 125 HE1 LYS 125 1.343 6.524 -14.641
985 1HZ LYS 125 HZ1 LYS 125 1.404 4.783 -12.627
986 2HZ LYS 125 HZ3 LYS 125 0.179 4.091 -13.576
987 3HZ LYS 125 HZ2 LYS 125 1.718 4.361 -14.243
988 H LEU 126 HN LEU 126 -3.695 6.122 -9.590
989 HA LEU 126 HA LEU 126 -4.837 3.774 -10.632
990 1HB LEU 126 HB2 LEU 126 -6.099 4.442 -8.098
991 2HB LEU 126 HB1 LEU 126 -5.008 3.127 -8.495
992 HG LEU 126 HG LEU 126 -4.139 5.953 -7.845
993 1HD1 LEU 126 HD11 LEU 126 -5.088 4.696 -5.915
994 2HD1 LEU 126 HD13 LEU 126 -3.932 3.401 -6.223
995 3HD1 LEU 126 HD12 LEU 126 -3.359 4.996 -5.739
996 1HD2 LEU 126 HD21 LEU 126 -2.697 4.522 -9.420
997 2HD2 LEU 126 HD23 LEU 126 -1.902 5.110 -7.959
998 3HD2 LEU 126 HD22 LEU 126 -2.461 3.440 -8.047
999 H LYS 127 HN LYS 127 -6.270 6.903 -10.485
1000 HA LYS 127 HA LYS 127 -8.980 6.361 -10.136
1001 1HB LYS 127 HB2 LYS 127 -7.540 8.275 -11.984
1002 2HB LYS 127 HB1 LYS 127 -9.282 8.280 -11.766
1003 1HG LYS 127 HG2 LYS 127 -8.427 8.238 -9.169
1004 2HG LYS 127 HG1 LYS 127 -7.173 9.207 -9.938
1005 1HD LYS 127 HD2 LYS 127 -8.607 10.924 -10.428
1006 2HD LYS 127 HD1 LYS 127 -9.975 9.841 -10.696
1007 1HE LYS 127 HE2 LYS 127 -10.248 9.515 -8.307
1008 2HE LYS 127 HE1 LYS 127 -8.796 10.457 -7.971
1009 1HZ LYS 127 HZ3 LYS 127 -10.857 11.739 -9.584
1010 2HZ LYS 127 HZ2 LYS 127 -11.217 11.503 -7.941
1011 3HZ LYS 127 HZ1 LYS 127 -9.844 12.396 -8.392
1012 H ARG 128 HN ARG 128 -7.107 6.243 -13.169
1013 HA ARG 128 HA ARG 128 -9.311 4.782 -14.451
1014 1HB ARG 128 HB2 ARG 128 -6.940 6.328 -15.344
1015 2HB ARG 128 HB1 ARG 128 -7.419 4.975 -16.360
1016 1HG ARG 128 HG2 ARG 128 -9.471 5.915 -16.892
1017 2HG ARG 128 HG1 ARG 128 -9.541 6.840 -15.390
1018 1HD ARG 128 HD2 ARG 128 -7.260 7.758 -16.793
1019 2HD ARG 128 HD1 ARG 128 -8.574 7.681 -17.968
1020 HE ARG 128 HE ARG 128 -9.724 8.908 -15.765
1021 1HH1 ARG 128 HH21 ARG 128 -6.718 9.405 -17.381
1022 2HH1 ARG 128 HH22 ARG 128 -6.819 11.132 -17.311
1023 1HH2 ARG 128 HH11 ARG 128 -9.950 11.162 -15.827
1024 2HH2 ARG 128 HH12 ARG 128 -8.646 12.124 -16.436
1025 H LEU 129 HN LEU 129 -8.129 3.332 -12.402
1026 HA LEU 129 HA LEU 129 -5.891 1.766 -12.929
1027 1HB LEU 129 HB2 LEU 129 -8.390 1.456 -11.366
1028 2HB LEU 129 HB1 LEU 129 -7.527 -0.029 -11.732
1029 HG LEU 129 HG LEU 129 -5.837 2.218 -10.814
1030 1HD1 LEU 129 HD13 LEU 129 -8.217 1.602 -9.387
1031 2HD1 LEU 129 HD12 LEU 129 -6.877 0.901 -8.480
1032 3HD1 LEU 129 HD11 LEU 129 -6.879 2.624 -8.862
1033 1HD2 LEU 129 HD21 LEU 129 -5.546 -0.501 -11.180
1034 2HD2 LEU 129 HD23 LEU 129 -4.465 0.508 -10.218
1035 3HD2 LEU 129 HD22 LEU 129 -5.771 -0.381 -9.435
No H/Q in entry = 1035
Start of MODEL 9
1 1H MET 1 HT2 MET 1 14.566 13.050 10.660
2 2H MET 1 HT1 MET 1 15.202 14.037 11.888
3 3H MET 1 HT3 MET 1 13.526 13.962 11.647
4 HA MET 1 HA MET 1 13.547 15.471 10.024
5 1HB MET 1 HB2 MET 1 14.933 16.587 11.694
6 2HB MET 1 HB1 MET 1 16.376 15.783 11.077
7 1HG MET 1 HG2 MET 1 16.651 17.449 9.596
8 2HG MET 1 HG1 MET 1 15.104 17.027 8.861
9 1HE MET 1 HE1 MET 1 14.627 18.870 8.033
10 2HE MET 1 HE3 MET 1 13.128 19.332 8.853
11 3HE MET 1 HE2 MET 1 14.456 20.483 8.725
12 H LYS 2 HN LYS 2 13.483 14.949 7.901
13 HA LYS 2 HA LYS 2 14.192 14.328 5.759
14 1HB LYS 2 HB2 LYS 2 15.974 15.982 6.078
15 2HB LYS 2 HB1 LYS 2 16.938 14.797 6.959
16 1HG LYS 2 HG2 LYS 2 16.062 13.739 4.398
17 2HG LYS 2 HG1 LYS 2 16.969 15.239 4.194
18 1HD LYS 2 HD2 LYS 2 18.226 13.563 6.192
19 2HD LYS 2 HD1 LYS 2 18.030 12.678 4.679
20 1HE LYS 2 HE2 LYS 2 19.234 14.324 3.443
21 2HE LYS 2 HE1 LYS 2 19.159 15.481 4.774
22 1HZ LYS 2 HZ1 LYS 2 20.572 12.873 4.896
23 2HZ LYS 2 HZ3 LYS 2 21.328 14.357 4.573
24 3HZ LYS 2 HZ2 LYS 2 20.584 14.094 6.078
25 H LYS 3 HN LYS 3 13.318 12.186 6.613
26 HA LYS 3 HA LYS 3 14.833 10.021 5.744
27 1HB LYS 3 HB2 LYS 3 15.864 10.981 8.209
28 2HB LYS 3 HB1 LYS 3 15.055 9.452 8.550
29 1HG LYS 3 HG2 LYS 3 16.499 8.232 7.235
30 2HG LYS 3 HG1 LYS 3 16.770 9.565 6.113
31 1HD LYS 3 HD2 LYS 3 18.810 9.200 7.380
32 2HD LYS 3 HD1 LYS 3 18.094 10.725 7.901
33 1HE LYS 3 HE2 LYS 3 18.620 9.665 9.934
34 2HE LYS 3 HE1 LYS 3 16.910 9.289 9.719
35 1HZ LYS 3 HZ3 LYS 3 18.866 7.455 8.556
36 2HZ LYS 3 HZ2 LYS 3 18.677 7.431 10.244
37 3HZ LYS 3 HZ1 LYS 3 17.346 7.129 9.234
38 H LEU 4 HN LEU 4 12.743 9.388 5.113
39 HA LEU 4 HA LEU 4 11.254 7.873 7.131
40 1HB LEU 4 HB2 LEU 4 10.463 10.445 6.937
41 2HB LEU 4 HB1 LEU 4 9.534 9.762 5.602
42 HG LEU 4 HG LEU 4 8.226 9.659 7.677
43 1HD1 LEU 4 HD13 LEU 4 8.590 7.621 5.900
44 2HD1 LEU 4 HD12 LEU 4 8.987 6.810 7.415
45 3HD1 LEU 4 HD11 LEU 4 7.413 7.578 7.213
46 1HD2 LEU 4 HD22 LEU 4 10.372 9.518 9.105
47 2HD2 LEU 4 HD21 LEU 4 8.994 8.551 9.633
48 3HD2 LEU 4 HD23 LEU 4 10.330 7.786 8.773
49 H GLN 5 HN GLN 5 11.556 6.037 5.846
50 HA GLN 5 HA GLN 5 10.152 6.090 3.211
51 1HB GLN 5 HB2 GLN 5 12.761 4.659 3.783
52 2HB GLN 5 HB1 GLN 5 11.907 4.705 2.240
53 1HG GLN 5 HG2 GLN 5 12.167 7.190 2.216
54 2HG GLN 5 HG1 GLN 5 13.125 7.072 3.693
55 1HE2 GLN 5 HE22 GLN 5 15.521 7.052 0.841
56 2HE2 GLN 5 HE21 GLN 5 14.398 8.156 1.473
57 H ILE 6 HN ILE 6 8.950 4.234 2.764
58 HA ILE 6 HA ILE 6 9.250 1.869 4.483
59 HB ILE 6 HB ILE 6 6.894 3.732 4.524
60 1HG1 ILE 6 HG12 ILE 6 8.344 2.015 6.563
61 2HG1 ILE 6 HG11 ILE 6 8.454 3.766 6.395
62 1HG2 ILE 6 HG22 ILE 6 6.811 0.724 4.828
63 2HG2 ILE 6 HG21 ILE 6 5.570 1.790 5.489
64 3HG2 ILE 6 HG23 ILE 6 5.841 1.725 3.747
65 1HD1 ILE 6 HD12 ILE 6 5.820 3.622 6.682
66 2HD1 ILE 6 HD11 ILE 6 6.218 2.103 7.485
67 3HD1 ILE 6 HD13 ILE 6 6.881 3.620 8.090
68 H ALA 7 HN ALA 7 8.059 0.016 3.549
69 HA ALA 7 HA ALA 7 7.554 0.413 0.631
70 1HB ALA 7 HB1 ALA 7 8.528 -2.012 2.169
71 2HB ALA 7 HB3 ALA 7 8.056 -2.059 0.470
72 3HB ALA 7 HB2 ALA 7 9.428 -1.074 0.977
73 H VAL 8 HN VAL 8 5.488 0.088 -0.026
74 HA VAL 8 HA VAL 8 3.697 -1.528 1.775
75 HB VAL 8 HB VAL 8 2.985 0.711 2.056
76 1HG1 VAL 8 HG12 VAL 8 3.616 0.926 -0.880
77 2HG1 VAL 8 HG11 VAL 8 2.566 2.105 -0.095
78 3HG1 VAL 8 HG13 VAL 8 4.230 1.904 0.453
79 1HG2 VAL 8 HG23 VAL 8 1.374 -1.131 0.725
80 2HG2 VAL 8 HG22 VAL 8 0.816 0.340 1.517
81 3HG2 VAL 8 HG21 VAL 8 1.171 0.348 -0.209
82 H GLY 9 HN GLY 9 4.151 -3.345 0.343
83 1HA GLY 9 HA2 GLY 9 3.429 -3.190 -2.466
84 2HA GLY 9 HA1 GLY 9 3.746 -4.678 -1.570
85 H ILE 10 HN ILE 10 1.300 -2.989 -3.094
86 HA ILE 10 HA ILE 10 -0.770 -3.881 -1.180
87 HB ILE 10 HB ILE 10 -1.540 -2.564 -3.720
88 1HG1 ILE 10 HG12 ILE 10 -0.528 -0.802 -1.500
89 2HG1 ILE 10 HG11 ILE 10 0.615 -1.387 -2.697
90 1HG2 ILE 10 HG21 ILE 10 -2.568 -3.061 -1.099
91 2HG2 ILE 10 HG23 ILE 10 -2.575 -1.326 -1.407
92 3HG2 ILE 10 HG22 ILE 10 -3.405 -2.421 -2.513
93 1HD1 ILE 10 HD11 ILE 10 -1.893 -0.369 -3.846
94 2HD1 ILE 10 HD13 ILE 10 -0.937 0.850 -3.005
95 3HD1 ILE 10 HD12 ILE 10 -0.225 -0.065 -4.334
96 H ILE 11 HN ILE 11 -2.800 -4.825 -2.311
97 HA ILE 11 HA ILE 11 -2.025 -6.592 -4.563
98 HB ILE 11 HB ILE 11 -3.684 -8.083 -2.808
99 1HG1 ILE 11 HG12 ILE 11 -2.447 -6.399 -1.142
100 2HG1 ILE 11 HG11 ILE 11 -2.725 -8.079 -0.735
101 1HG2 ILE 11 HG21 ILE 11 -1.994 -8.828 -4.548
102 2HG2 ILE 11 HG23 ILE 11 -0.739 -8.506 -3.355
103 3HG2 ILE 11 HG22 ILE 11 -1.965 -9.732 -3.037
104 1HD1 ILE 11 HD13 ILE 11 -0.363 -8.512 -1.733
105 2HD1 ILE 11 HD12 ILE 11 -0.147 -6.773 -1.607
106 3HD1 ILE 11 HD11 ILE 11 -0.454 -7.727 -0.161
107 H ARG 12 HN ARG 12 -3.897 -7.402 -5.726
108 HA ARG 12 HA ARG 12 -6.579 -6.503 -4.968
109 1HB ARG 12 HB2 ARG 12 -5.483 -4.468 -5.982
110 2HB ARG 12 HB1 ARG 12 -5.352 -5.366 -7.492
111 1HG ARG 12 HG2 ARG 12 -7.754 -5.611 -7.634
112 2HG ARG 12 HG1 ARG 12 -7.965 -4.915 -6.027
113 1HD ARG 12 HD2 ARG 12 -8.256 -2.952 -7.128
114 2HD ARG 12 HD1 ARG 12 -6.503 -2.965 -7.303
115 HE ARG 12 HE ARG 12 -8.130 -2.953 -9.498
116 1HH1 ARG 12 HH11 ARG 12 -8.603 -5.680 -9.860
117 2HH1 ARG 12 HH12 ARG 12 -7.161 -6.330 -10.565
118 1HH2 ARG 12 HH21 ARG 12 -5.179 -3.640 -9.639
119 2HH2 ARG 12 HH22 ARG 12 -5.222 -5.175 -10.440
120 H ASN 13 HN ASN 13 -6.383 -9.014 -5.225
121 HA ASN 13 HA ASN 13 -7.679 -9.748 -7.719
122 1HB ASN 13 HB2 ASN 13 -4.884 -10.753 -7.150
123 2HB ASN 13 HB1 ASN 13 -5.977 -11.527 -8.289
124 1HD2 ASN 13 HD22 ASN 13 -4.125 -8.048 -9.318
125 2HD2 ASN 13 HD21 ASN 13 -3.960 -8.687 -7.754
126 H GLU 14 HN GLU 14 -7.525 -12.439 -7.676
127 HA GLU 14 HA GLU 14 -7.961 -14.406 -6.441
128 1HB GLU 14 HB2 GLU 14 -6.645 -12.945 -4.561
129 2HB GLU 14 HB1 GLU 14 -8.240 -13.076 -3.822
130 1HG GLU 14 HG2 GLU 14 -8.171 -15.445 -3.820
131 2HG GLU 14 HG1 GLU 14 -6.833 -15.489 -4.969
132 H ASN 15 HN ASN 15 -9.562 -11.504 -5.312
133 HA ASN 15 HA ASN 15 -12.188 -12.764 -5.855
134 1HB ASN 15 HB2 ASN 15 -11.560 -12.963 -3.386
135 2HB ASN 15 HB1 ASN 15 -11.610 -11.203 -3.328
136 1HD2 ASN 15 HD22 ASN 15 -15.020 -11.974 -2.379
137 2HD2 ASN 15 HD21 ASN 15 -13.470 -11.787 -1.713
138 H ASN 16 HN ASN 16 -10.374 -10.658 -7.034
139 HA ASN 16 HA ASN 16 -10.576 -8.507 -7.944
140 1HB ASN 16 HB2 ASN 16 -12.584 -9.354 -8.967
141 2HB ASN 16 HB1 ASN 16 -13.463 -9.259 -7.444
142 1HD2 ASN 16 HD22 ASN 16 -14.647 -6.080 -8.403
143 2HD2 ASN 16 HD21 ASN 16 -15.014 -7.635 -7.828
144 H GLU 17 HN GLU 17 -9.824 -8.609 -5.273
145 HA GLU 17 HA GLU 17 -11.128 -6.134 -4.250
146 1HB GLU 17 HB2 GLU 17 -10.476 -8.486 -2.460
147 2HB GLU 17 HB1 GLU 17 -11.363 -7.021 -2.032
148 1HG GLU 17 HG2 GLU 17 -12.826 -7.944 -4.160
149 2HG GLU 17 HG1 GLU 17 -12.306 -9.452 -3.407
150 H ILE 18 HN ILE 18 -9.713 -4.843 -2.966
151 HA ILE 18 HA ILE 18 -6.853 -5.519 -3.370
152 HB ILE 18 HB ILE 18 -7.694 -2.933 -2.161
153 1HG1 ILE 18 HG12 ILE 18 -7.752 -2.510 -4.940
154 2HG1 ILE 18 HG11 ILE 18 -8.773 -3.920 -4.670
155 1HG2 ILE 18 HG23 ILE 18 -5.321 -3.507 -2.627
156 2HG2 ILE 18 HG22 ILE 18 -5.716 -3.630 -4.341
157 3HG2 ILE 18 HG21 ILE 18 -5.859 -2.081 -3.513
158 1HD1 ILE 18 HD12 ILE 18 -9.117 -1.675 -2.759
159 2HD1 ILE 18 HD11 ILE 18 -9.674 -1.382 -4.408
160 3HD1 ILE 18 HD13 ILE 18 -10.330 -2.733 -3.481
161 H PHE 19 HN PHE 19 -5.382 -5.422 -1.593
162 HA PHE 19 HA PHE 19 -6.635 -6.120 0.997
163 1HB PHE 19 HB2 PHE 19 -4.750 -7.509 0.286
164 2HB PHE 19 HB1 PHE 19 -3.735 -6.079 0.105
165 HD1 PHE 19 HD1 PHE 19 -5.981 -7.599 2.707
166 HD2 PHE 19 HD2 PHE 19 -2.269 -5.612 1.847
167 HE1 PHE 19 HE1 PHE 19 -5.363 -7.717 5.106
168 HE2 PHE 19 HE2 PHE 19 -1.652 -5.731 4.247
169 HZ PHE 19 HZ PHE 19 -3.198 -6.784 5.875
170 H ILE 20 HN ILE 20 -7.484 -3.945 1.375
171 HA ILE 20 HA ILE 20 -5.654 -1.697 1.546
172 HB ILE 20 HB ILE 20 -8.435 -1.953 2.709
173 1HG1 ILE 20 HG12 ILE 20 -8.472 -2.529 0.325
174 2HG1 ILE 20 HG11 ILE 20 -9.169 -0.923 0.562
175 1HG2 ILE 20 HG22 ILE 20 -6.553 0.300 2.100
176 2HG2 ILE 20 HG21 ILE 20 -8.295 0.577 2.074
177 3HG2 ILE 20 HG23 ILE 20 -7.514 0.016 3.551
178 1HD1 ILE 20 HD12 ILE 20 -6.649 -0.161 0.238
179 2HD1 ILE 20 HD11 ILE 20 -6.542 -1.691 -0.634
180 3HD1 ILE 20 HD13 ILE 20 -7.692 -0.459 -1.154
181 H THR 21 HN THR 21 -5.504 -0.451 3.595
182 HA THR 21 HA THR 21 -5.314 -2.289 5.937
183 HB THR 21 HB THR 21 -3.577 -0.196 6.429
184 HG1 THR 21 HG1 THR 21 -3.329 -1.069 3.744
185 1HG2 THR 21 HG23 THR 21 -3.279 -3.031 5.508
186 2HG2 THR 21 HG22 THR 21 -1.840 -2.029 5.688
187 3HG2 THR 21 HG21 THR 21 -2.887 -2.325 7.076
188 H ARG 22 HN ARG 22 -6.489 -1.623 7.642
189 HA ARG 22 HA ARG 22 -6.955 1.179 8.232
190 1HB ARG 22 HB2 ARG 22 -8.721 0.018 6.464
191 2HB ARG 22 HB1 ARG 22 -9.517 -0.248 8.020
192 1HG ARG 22 HG2 ARG 22 -9.266 2.126 8.560
193 2HG ARG 22 HG1 ARG 22 -8.456 2.395 7.019
194 1HD ARG 22 HD2 ARG 22 -10.409 2.437 5.871
195 2HD ARG 22 HD1 ARG 22 -11.026 1.019 6.714
196 HE ARG 22 HE ARG 22 -12.023 3.522 7.216
197 1HH1 ARG 22 HH11 ARG 22 -11.970 0.852 8.982
198 2HH1 ARG 22 HH12 ARG 22 -11.732 1.581 10.535
199 1HH2 ARG 22 HH21 ARG 22 -10.915 4.694 9.241
200 2HH2 ARG 22 HH22 ARG 22 -11.133 3.758 10.682
201 H ARG 23 HN ARG 23 -6.385 0.974 10.390
202 HA ARG 23 HA ARG 23 -6.593 -1.273 12.007
203 1HB ARG 23 HB2 ARG 23 -6.320 0.215 13.851
204 2HB ARG 23 HB1 ARG 23 -5.455 0.941 12.511
205 1HG ARG 23 HG2 ARG 23 -7.847 2.078 12.108
206 2HG ARG 23 HG1 ARG 23 -7.961 1.827 13.851
207 1HD ARG 23 HD2 ARG 23 -5.350 2.811 13.325
208 2HD ARG 23 HD1 ARG 23 -6.472 3.832 12.427
209 HE ARG 23 HE ARG 23 -6.066 4.210 15.101
210 1HH1 ARG 23 HH11 ARG 23 -8.592 4.703 13.120
211 2HH1 ARG 23 HH12 ARG 23 -9.848 4.470 14.289
212 1HH2 ARG 23 HH21 ARG 23 -7.729 3.147 16.692
213 2HH2 ARG 23 HH22 ARG 23 -9.359 3.589 16.312
214 H ALA 24 HN ALA 24 -8.452 -2.465 12.122
215 HA ALA 24 HA ALA 24 -10.628 -2.995 12.854
216 1HB ALA 24 HB3 ALA 24 -10.066 -1.141 14.589
217 2HB ALA 24 HB2 ALA 24 -11.047 -0.094 13.564
218 3HB ALA 24 HB1 ALA 24 -11.763 -1.524 14.306
219 H ALA 25 HN ALA 25 -13.010 -1.707 12.519
220 HA ALA 25 HA ALA 25 -12.958 -0.650 9.728
221 1HB ALA 25 HB3 ALA 25 -13.629 -3.192 10.091
222 2HB ALA 25 HB2 ALA 25 -15.172 -2.485 10.569
223 3HB ALA 25 HB1 ALA 25 -14.524 -2.182 8.957
224 H ASP 26 HN ASP 26 -15.999 -0.791 9.877
225 HA ASP 26 HA ASP 26 -17.741 0.617 10.552
226 1HB ASP 26 HB2 ASP 26 -15.978 0.934 13.002
227 2HB ASP 26 HB1 ASP 26 -17.641 1.504 12.879
228 H ALA 27 HN ALA 27 -16.267 2.923 12.484
229 HA ALA 27 HA ALA 27 -15.485 5.096 12.064
230 1HB ALA 27 HB1 ALA 27 -14.203 3.480 10.148
231 2HB ALA 27 HB3 ALA 27 -14.860 4.843 9.243
232 3HB ALA 27 HB2 ALA 27 -13.770 5.129 10.601
233 H HIS 28 HN HIS 28 -17.407 6.244 12.136
234 HA HIS 28 HA HIS 28 -18.985 6.398 9.600
235 1HB HIS 28 HB2 HIS 28 -19.727 6.646 12.502
236 2HB HIS 28 HB1 HIS 28 -20.712 7.448 11.279
237 HD1 HIS 28 HD1 HIS 28 -19.396 4.583 9.647
238 HD2 HIS 28 HD2 HIS 28 -22.460 5.149 12.418
239 HE1 HIS 28 HE1 HIS 28 -20.886 2.543 9.493
240 H MET 29 HN MET 29 -17.694 8.362 12.286
241 HA MET 29 HA MET 29 -18.429 10.918 11.483
242 1HB MET 29 HB2 MET 29 -16.252 9.760 13.035
243 2HB MET 29 HB1 MET 29 -15.729 11.204 12.168
244 1HG MET 29 HG2 MET 29 -18.266 11.104 13.818
245 2HG MET 29 HG1 MET 29 -16.714 11.629 14.472
246 1HE MET 29 HE1 MET 29 -19.725 12.183 13.152
247 2HE MET 29 HE3 MET 29 -19.732 13.876 13.665
248 3HE MET 29 HE2 MET 29 -19.766 13.470 11.951
249 H ALA 30 HN ALA 30 -15.364 9.349 10.490
250 HA ALA 30 HA ALA 30 -15.696 10.520 7.786
251 1HB ALA 30 HB3 ALA 30 -13.346 11.051 9.625
252 2HB ALA 30 HB2 ALA 30 -13.288 11.314 7.882
253 3HB ALA 30 HB1 ALA 30 -14.413 12.240 8.875
254 H ASN 31 HN ASN 31 -15.513 8.719 6.532
255 HA ASN 31 HA ASN 31 -13.953 6.410 7.419
256 1HB ASN 31 HB2 ASN 31 -15.621 7.041 4.991
257 2HB ASN 31 HB1 ASN 31 -14.587 5.613 5.021
258 1HD2 ASN 31 HD22 ASN 31 -16.972 3.791 6.841
259 2HD2 ASN 31 HD21 ASN 31 -15.723 3.797 5.691
260 H LYS 32 HN LYS 32 -11.849 6.031 6.921
261 HA LYS 32 HA LYS 32 -10.691 7.431 4.560
262 1HB LYS 32 HB2 LYS 32 -8.781 8.165 5.769
263 2HB LYS 32 HB1 LYS 32 -10.151 8.579 6.799
264 1HG LYS 32 HG2 LYS 32 -9.025 7.467 8.424
265 2HG LYS 32 HG1 LYS 32 -9.576 6.006 7.605
266 1HD LYS 32 HD2 LYS 32 -7.514 6.047 6.208
267 2HD LYS 32 HD1 LYS 32 -6.954 7.452 7.117
268 1HE LYS 32 HE2 LYS 32 -5.908 5.703 8.259
269 2HE LYS 32 HE1 LYS 32 -7.377 5.923 9.209
270 1HZ LYS 32 HZ2 LYS 32 -7.172 3.998 6.964
271 2HZ LYS 32 HZ1 LYS 32 -6.852 3.577 8.579
272 3HZ LYS 32 HZ3 LYS 32 -8.401 4.105 8.132
273 H LEU 33 HN LEU 33 -9.305 6.144 3.372
274 HA LEU 33 HA LEU 33 -8.985 3.339 4.282
275 1HB LEU 33 HB2 LEU 33 -8.837 4.751 1.623
276 2HB LEU 33 HB1 LEU 33 -8.212 3.133 1.831
277 HG LEU 33 HG LEU 33 -11.040 4.087 1.868
278 1HD1 LEU 33 HD11 LEU 33 -9.552 2.628 0.132
279 2HD1 LEU 33 HD13 LEU 33 -10.270 1.338 1.098
280 3HD1 LEU 33 HD12 LEU 33 -11.307 2.495 0.263
281 1HD2 LEU 33 HD22 LEU 33 -10.004 1.736 3.480
282 2HD2 LEU 33 HD21 LEU 33 -10.922 3.117 4.081
283 3HD2 LEU 33 HD23 LEU 33 -11.697 1.936 3.024
284 H GLU 34 HN GLU 34 -6.724 2.582 2.942
285 HA GLU 34 HA GLU 34 -4.584 4.496 3.387
286 1HB GLU 34 HB2 GLU 34 -5.360 3.080 5.605
287 2HB GLU 34 HB1 GLU 34 -4.083 2.064 4.952
288 1HG GLU 34 HG2 GLU 34 -3.105 4.685 4.730
289 2HG GLU 34 HG1 GLU 34 -3.870 4.617 6.318
290 H PHE 35 HN PHE 35 -2.586 2.522 3.722
291 HA PHE 35 HA PHE 35 -2.875 0.726 1.386
292 1HB PHE 35 HB2 PHE 35 -0.378 2.383 1.598
293 2HB PHE 35 HB1 PHE 35 -1.076 1.599 0.182
294 HD1 PHE 35 HD1 PHE 35 -1.506 4.423 2.567
295 HD2 PHE 35 HD2 PHE 35 -2.657 2.722 -1.206
296 HE1 PHE 35 HE1 PHE 35 -2.669 6.531 1.971
297 HE2 PHE 35 HE2 PHE 35 -3.819 4.830 -1.802
298 HZ PHE 35 HZ PHE 35 -3.826 6.735 -0.214
299 HA PRO 36 HA PRO 36 -0.668 -2.178 3.767
300 1HB PRO 36 HB2 PRO 36 1.262 -2.770 1.675
301 2HB PRO 36 HB1 PRO 36 -0.106 -3.747 2.217
302 1HG PRO 36 HG2 PRO 36 0.087 -2.285 -0.229
303 2HG PRO 36 HG1 PRO 36 -1.324 -3.153 0.393
304 1HD PRO 36 HD2 PRO 36 -0.946 -0.294 0.205
305 2HD PRO 36 HD1 PRO 36 -2.372 -1.178 0.786
306 H GLY 37 HN GLY 37 2.178 -2.762 3.418
307 1HA GLY 37 HA2 GLY 37 3.948 -0.637 3.347
308 2HA GLY 37 HA1 GLY 37 3.248 -0.534 4.956
309 H GLY 38 HN GLY 38 5.589 -0.961 5.527
310 1HA GLY 38 HA2 GLY 38 5.935 -3.555 6.572
311 2HA GLY 38 HA1 GLY 38 6.788 -3.519 5.027
312 H LYS 39 HN LYS 39 8.441 -1.832 4.745
313 HA LYS 39 HA LYS 39 9.381 -0.013 6.615
314 1HB LYS 39 HB2 LYS 39 9.609 -1.705 8.306
315 2HB LYS 39 HB1 LYS 39 10.395 -2.811 7.181
316 1HG LYS 39 HG2 LYS 39 12.327 -1.317 7.017
317 2HG LYS 39 HG1 LYS 39 11.534 -0.143 8.068
318 1HD LYS 39 HD2 LYS 39 12.003 -1.326 9.954
319 2HD LYS 39 HD1 LYS 39 11.682 -2.877 9.176
320 1HE LYS 39 HE2 LYS 39 13.962 -2.004 7.875
321 2HE LYS 39 HE1 LYS 39 14.226 -1.464 9.532
322 1HZ LYS 39 HZ1 LYS 39 13.210 -3.972 9.812
323 2HZ LYS 39 HZ3 LYS 39 14.228 -4.119 8.462
324 3HZ LYS 39 HZ2 LYS 39 14.851 -3.544 9.935
325 H ILE 40 HN ILE 40 11.115 1.046 5.714
326 HA ILE 40 HA ILE 40 12.478 -0.331 3.437
327 HB ILE 40 HB ILE 40 11.448 2.445 3.830
328 1HG1 ILE 40 HG12 ILE 40 11.675 0.596 1.441
329 2HG1 ILE 40 HG11 ILE 40 10.237 0.819 2.438
330 1HG2 ILE 40 HG21 ILE 40 13.910 1.746 2.227
331 2HG2 ILE 40 HG23 ILE 40 12.933 3.176 1.897
332 3HG2 ILE 40 HG22 ILE 40 13.739 3.001 3.455
333 1HD1 ILE 40 HD12 ILE 40 10.564 3.360 1.856
334 2HD1 ILE 40 HD11 ILE 40 11.511 2.735 0.506
335 3HD1 ILE 40 HD13 ILE 40 9.813 2.290 0.674
336 H GLU 41 HN GLU 41 14.415 -1.015 4.271
337 HA GLU 41 HA GLU 41 15.944 0.893 5.990
338 1HB GLU 41 HB2 GLU 41 17.337 -1.307 6.355
339 2HB GLU 41 HB1 GLU 41 15.801 -1.106 7.199
340 1HG GLU 41 HG2 GLU 41 15.994 -3.336 6.111
341 2HG GLU 41 HG1 GLU 41 14.646 -2.402 5.479
342 H MET 42 HN MET 42 15.658 0.552 2.913
343 HA MET 42 HA MET 42 17.137 1.124 1.161
344 1HB MET 42 HB2 MET 42 18.500 2.128 3.161
345 2HB MET 42 HB1 MET 42 19.491 0.679 2.982
346 1HG MET 42 HG2 MET 42 20.481 1.485 1.123
347 2HG MET 42 HG1 MET 42 18.927 1.911 0.405
348 1HE MET 42 HE1 MET 42 18.189 3.630 -0.074
349 2HE MET 42 HE3 MET 42 17.827 4.894 1.109
350 3HE MET 42 HE2 MET 42 19.064 5.160 -0.116
351 H GLY 43 HN GLY 43 19.930 -0.307 1.342
352 1HA GLY 43 HA2 GLY 43 20.353 -2.819 1.498
353 2HA GLY 43 HA1 GLY 43 18.849 -2.992 0.596
354 H GLU 44 HN GLU 44 19.048 -3.138 -1.572
355 HA GLU 44 HA GLU 44 21.487 -1.965 -2.836
356 1HB GLU 44 HB2 GLU 44 21.868 -4.328 -2.805
357 2HB GLU 44 HB1 GLU 44 20.210 -4.666 -3.299
358 1HG GLU 44 HG2 GLU 44 20.610 -4.166 -5.499
359 2HG GLU 44 HG1 GLU 44 21.810 -2.933 -5.108
360 H THR 45 HN THR 45 18.101 -2.977 -3.261
361 HA THR 45 HA THR 45 17.684 -0.713 -5.053
362 HB THR 45 HB THR 45 18.514 -3.070 -6.239
363 HG1 THR 45 HG1 THR 45 17.767 -0.672 -6.930
364 1HG2 THR 45 HG23 THR 45 16.117 -3.892 -5.582
365 2HG2 THR 45 HG22 THR 45 15.605 -2.897 -6.946
366 3HG2 THR 45 HG21 THR 45 16.739 -4.224 -7.197
367 HA PRO 46 HA PRO 46 13.637 -0.653 -3.518
368 1HB PRO 46 HB2 PRO 46 12.187 -0.761 -6.002
369 2HB PRO 46 HB1 PRO 46 12.570 0.657 -5.015
370 1HG PRO 46 HG2 PRO 46 13.735 -0.085 -7.541
371 2HG PRO 46 HG1 PRO 46 14.134 1.311 -6.536
372 1HD PRO 46 HD2 PRO 46 15.704 -1.058 -6.966
373 2HD PRO 46 HD1 PRO 46 16.113 0.354 -5.974
374 H GLU 47 HN GLU 47 14.357 -3.318 -5.631
375 HA GLU 47 HA GLU 47 11.842 -4.717 -5.153
376 1HB GLU 47 HB2 GLU 47 14.199 -5.082 -6.799
377 2HB GLU 47 HB1 GLU 47 13.803 -6.575 -5.950
378 1HG GLU 47 HG2 GLU 47 11.891 -6.882 -7.136
379 2HG GLU 47 HG1 GLU 47 11.466 -5.172 -7.068
380 H GLN 48 HN GLN 48 15.197 -5.528 -4.282
381 HA GLN 48 HA GLN 48 14.960 -7.526 -2.508
382 1HB GLN 48 HB2 GLN 48 16.904 -5.764 -3.196
383 2HB GLN 48 HB1 GLN 48 16.594 -5.285 -1.527
384 1HG GLN 48 HG2 GLN 48 17.138 -7.368 -0.690
385 2HG GLN 48 HG1 GLN 48 16.839 -8.170 -2.232
386 1HE2 GLN 48 HE22 GLN 48 20.566 -7.827 -1.717
387 2HE2 GLN 48 HE21 GLN 48 19.325 -8.535 -0.800
388 H ALA 49 HN ALA 49 14.128 -4.244 -2.064
389 HA ALA 49 HA ALA 49 13.750 -4.243 0.712
390 1HB ALA 49 HB1 ALA 49 13.740 -2.255 -0.950
391 2HB ALA 49 HB3 ALA 49 12.016 -2.594 -1.097
392 3HB ALA 49 HB2 ALA 49 12.699 -2.157 0.469
393 H VAL 50 HN VAL 50 11.077 -4.325 -1.675
394 HA VAL 50 HA VAL 50 9.276 -5.323 0.384
395 HB VAL 50 HB VAL 50 8.704 -3.759 -1.539
396 1HG1 VAL 50 HG12 VAL 50 9.709 -5.099 -3.345
397 2HG1 VAL 50 HG11 VAL 50 8.573 -6.405 -3.005
398 3HG1 VAL 50 HG13 VAL 50 7.983 -4.864 -3.628
399 1HG2 VAL 50 HG23 VAL 50 7.049 -6.198 -0.915
400 2HG2 VAL 50 HG22 VAL 50 6.965 -4.617 -0.138
401 3HG2 VAL 50 HG21 VAL 50 6.429 -4.810 -1.807
402 H VAL 51 HN VAL 51 10.717 -6.659 -2.565
403 HA VAL 51 HA VAL 51 9.525 -9.127 -2.779
404 HB VAL 51 HB VAL 51 11.355 -8.384 -4.238
405 1HG1 VAL 51 HG12 VAL 51 12.597 -7.637 -1.940
406 2HG1 VAL 51 HG11 VAL 51 13.447 -9.142 -2.288
407 3HG1 VAL 51 HG13 VAL 51 13.431 -7.843 -3.480
408 1HG2 VAL 51 HG23 VAL 51 11.011 -10.966 -3.234
409 2HG2 VAL 51 HG22 VAL 51 11.874 -10.516 -4.706
410 3HG2 VAL 51 HG21 VAL 51 12.754 -10.696 -3.188
411 H ARG 52 HN ARG 52 11.796 -8.050 -0.307
412 HA ARG 52 HA ARG 52 12.143 -10.621 0.922
413 1HB ARG 52 HB2 ARG 52 13.883 -9.367 1.613
414 2HB ARG 52 HB1 ARG 52 13.094 -7.887 1.132
415 1HG ARG 52 HG2 ARG 52 11.880 -7.770 3.199
416 2HG ARG 52 HG1 ARG 52 12.505 -9.337 3.719
417 1HD ARG 52 HD2 ARG 52 14.712 -8.496 3.970
418 2HD ARG 52 HD1 ARG 52 14.352 -7.045 3.034
419 HE ARG 52 HE ARG 52 14.217 -7.002 5.752
420 1HH1 ARG 52 HH11 ARG 52 12.486 -5.667 3.267
421 2HH1 ARG 52 HH12 ARG 52 11.061 -5.311 4.185
422 1HH2 ARG 52 HH21 ARG 52 12.088 -7.109 6.969
423 2HH2 ARG 52 HH22 ARG 52 10.835 -6.129 6.284
424 H GLU 53 HN GLU 53 10.140 -7.695 1.589
425 HA GLU 53 HA GLU 53 8.956 -8.901 3.950
426 1HB GLU 53 HB2 GLU 53 7.618 -6.980 4.094
427 2HB GLU 53 HB1 GLU 53 9.049 -6.378 3.266
428 1HG GLU 53 HG2 GLU 53 7.950 -6.168 1.233
429 2HG GLU 53 HG1 GLU 53 6.782 -7.422 1.603
430 H LEU 54 HN LEU 54 8.681 -9.583 0.690
431 HA LEU 54 HA LEU 54 5.894 -10.136 0.430
432 1HB LEU 54 HB2 LEU 54 8.214 -10.403 -1.173
433 2HB LEU 54 HB1 LEU 54 7.493 -12.009 -1.071
434 HG LEU 54 HG LEU 54 6.211 -9.455 -2.056
435 1HD1 LEU 54 HD13 LEU 54 7.186 -11.986 -3.216
436 2HD1 LEU 54 HD12 LEU 54 5.598 -11.475 -3.785
437 3HD1 LEU 54 HD11 LEU 54 6.985 -10.404 -3.971
438 1HD2 LEU 54 HD21 LEU 54 4.990 -11.710 -0.665
439 2HD2 LEU 54 HD23 LEU 54 4.263 -10.182 -1.161
440 3HD2 LEU 54 HD22 LEU 54 4.350 -11.528 -2.297
441 H GLN 55 HN GLN 55 8.593 -12.427 0.872
442 HA GLN 55 HA GLN 55 6.748 -14.477 1.862
443 1HB GLN 55 HB2 GLN 55 9.759 -14.622 1.992
444 2HB GLN 55 HB1 GLN 55 8.602 -15.942 1.802
445 1HG GLN 55 HG2 GLN 55 7.963 -14.954 -0.428
446 2HG GLN 55 HG1 GLN 55 9.296 -13.816 -0.244
447 1HE2 GLN 55 HE22 GLN 55 11.686 -16.132 -1.361
448 2HE2 GLN 55 HE21 GLN 55 11.278 -14.514 -1.048
449 H GLU 56 HN GLU 56 8.833 -12.033 3.201
450 HA GLU 56 HA GLU 56 8.929 -13.260 5.860
451 1HB GLU 56 HB2 GLU 56 9.616 -10.428 5.030
452 2HB GLU 56 HB1 GLU 56 10.093 -11.231 6.527
453 1HG GLU 56 HG2 GLU 56 10.798 -12.768 4.134
454 2HG GLU 56 HG1 GLU 56 11.578 -11.188 4.190
455 H GLU 57 HN GLU 57 6.210 -12.705 4.729
456 HA GLU 57 HA GLU 57 5.200 -11.218 7.075
457 1HB GLU 57 HB2 GLU 57 5.014 -10.283 4.246
458 2HB GLU 57 HB1 GLU 57 3.607 -10.060 5.280
459 1HG GLU 57 HG2 GLU 57 6.019 -9.332 6.701
460 2HG GLU 57 HG1 GLU 57 5.895 -8.431 5.189
461 H VAL 58 HN VAL 58 3.904 -12.475 3.954
462 HA VAL 58 HA VAL 58 2.033 -14.140 5.599
463 HB VAL 58 HB VAL 58 0.263 -13.765 4.126
464 1HG1 VAL 58 HG13 VAL 58 1.712 -11.462 4.835
465 2HG1 VAL 58 HG12 VAL 58 1.142 -11.216 3.185
466 3HG1 VAL 58 HG11 VAL 58 -0.008 -11.579 4.469
467 1HG2 VAL 58 HG23 VAL 58 2.347 -13.090 2.049
468 2HG2 VAL 58 HG22 VAL 58 1.277 -14.491 2.077
469 3HG2 VAL 58 HG21 VAL 58 0.617 -12.882 1.786
470 H GLY 59 HN GLY 59 4.030 -13.907 2.715
471 1HA GLY 59 HA2 GLY 59 5.334 -15.682 1.806
472 2HA GLY 59 HA1 GLY 59 4.376 -16.820 2.748
473 H ILE 60 HN ILE 60 3.580 -14.319 0.301
474 HA ILE 60 HA ILE 60 1.549 -16.123 -0.808
475 HB ILE 60 HB ILE 60 1.889 -13.990 -2.618
476 1HG1 ILE 60 HG12 ILE 60 1.827 -12.932 0.209
477 2HG1 ILE 60 HG11 ILE 60 3.258 -12.872 -0.805
478 1HG2 ILE 60 HG21 ILE 60 -0.190 -15.119 -1.889
479 2HG2 ILE 60 HG23 ILE 60 -0.089 -14.248 -0.361
480 3HG2 ILE 60 HG22 ILE 60 -0.310 -13.360 -1.868
481 1HD1 ILE 60 HD11 ILE 60 0.841 -11.870 -2.131
482 2HD1 ILE 60 HD13 ILE 60 1.303 -10.932 -0.711
483 3HD1 ILE 60 HD12 ILE 60 2.449 -11.151 -2.034
484 H THR 61 HN THR 61 1.559 -16.036 -3.371
485 HA THR 61 HA THR 61 4.263 -16.800 -4.412
486 HB THR 61 HB THR 61 2.915 -18.828 -3.798
487 HG1 THR 61 HG1 THR 61 3.765 -19.646 -5.531
488 1HG2 THR 61 HG21 THR 61 0.892 -17.129 -4.756
489 2HG2 THR 61 HG23 THR 61 0.950 -18.489 -5.878
490 3HG2 THR 61 HG22 THR 61 0.703 -18.776 -4.154
491 HA PRO 62 HA PRO 62 1.460 -13.758 -6.716
492 1HB PRO 62 HB2 PRO 62 3.805 -12.140 -7.089
493 2HB PRO 62 HB1 PRO 62 2.336 -11.774 -6.165
494 1HG PRO 62 HG2 PRO 62 4.928 -12.513 -5.139
495 2HG PRO 62 HG1 PRO 62 3.492 -12.069 -4.224
496 1HD PRO 62 HD2 PRO 62 4.694 -14.630 -4.481
497 2HD PRO 62 HD1 PRO 62 3.180 -14.222 -3.666
498 H GLN 63 HN GLN 63 1.171 -14.102 -8.792
499 HA GLN 63 HA GLN 63 3.154 -15.598 -10.320
500 1HB GLN 63 HB2 GLN 63 0.720 -14.470 -11.616
501 2HB GLN 63 HB1 GLN 63 1.418 -16.079 -11.757
502 1HG GLN 63 HG2 GLN 63 0.720 -16.277 -9.211
503 2HG GLN 63 HG1 GLN 63 -0.410 -14.988 -9.631
504 1HE2 GLN 63 HE22 GLN 63 -0.832 -18.455 -11.816
505 2HE2 GLN 63 HE21 GLN 63 0.725 -17.850 -11.515
506 H HIS 64 HN HIS 64 1.706 -12.304 -10.473
507 HA HIS 64 HA HIS 64 4.171 -11.371 -11.755
508 1HB HIS 64 HB2 HIS 64 2.330 -12.393 -13.476
509 2HB HIS 64 HB1 HIS 64 1.820 -10.707 -13.413
510 HD1 HIS 64 HD1 HIS 64 3.116 -11.822 -15.985
511 HD2 HIS 64 HD2 HIS 64 5.262 -9.930 -12.952
512 HE1 HIS 64 HE1 HIS 64 5.258 -10.982 -17.041
513 H PHE 65 HN PHE 65 4.506 -9.505 -10.652
514 HA PHE 65 HA PHE 65 2.165 -7.683 -10.260
515 1HB PHE 65 HB2 PHE 65 3.609 -6.795 -8.288
516 2HB PHE 65 HB1 PHE 65 2.718 -8.292 -8.060
517 HD1 PHE 65 HD1 PHE 65 6.034 -7.102 -9.351
518 HD2 PHE 65 HD2 PHE 65 3.879 -10.144 -7.215
519 HE1 PHE 65 HE1 PHE 65 8.165 -8.273 -8.868
520 HE2 PHE 65 HE2 PHE 65 6.012 -11.315 -6.735
521 HZ PHE 65 HZ PHE 65 8.155 -10.378 -7.559
522 H SER 66 HN SER 66 3.151 -5.347 -9.769
523 HA SER 66 HA SER 66 5.630 -4.759 -11.213
524 1HB SER 66 HB2 SER 66 2.967 -4.424 -12.505
525 2HB SER 66 HB1 SER 66 4.127 -3.116 -12.719
526 HG SER 66 HG SER 66 5.510 -4.496 -13.694
527 H LEU 67 HN LEU 67 6.159 -2.416 -11.061
528 HA LEU 67 HA LEU 67 4.978 -1.296 -8.620
529 1HB LEU 67 HB2 LEU 67 7.431 -1.149 -8.987
530 2HB LEU 67 HB1 LEU 67 7.132 -0.113 -10.387
531 HG LEU 67 HG LEU 67 5.967 1.519 -8.955
532 1HD1 LEU 67 HD11 LEU 67 6.212 -0.704 -7.018
533 2HD1 LEU 67 HD13 LEU 67 6.553 0.896 -6.358
534 3HD1 LEU 67 HD12 LEU 67 4.999 0.572 -7.126
535 1HD2 LEU 67 HD23 LEU 67 8.768 0.649 -8.320
536 2HD2 LEU 67 HD22 LEU 67 8.204 2.140 -9.077
537 3HD2 LEU 67 HD21 LEU 67 8.040 1.918 -7.335
538 H PHE 68 HN PHE 68 2.924 -0.604 -9.135
539 HA PHE 68 HA PHE 68 1.907 0.597 -11.398
540 1HB PHE 68 HB2 PHE 68 0.283 0.445 -9.780
541 2HB PHE 68 HB1 PHE 68 1.387 0.845 -8.481
542 HD1 PHE 68 HD2 PHE 68 0.459 2.692 -11.613
543 HD2 PHE 68 HD1 PHE 68 0.505 2.656 -7.320
544 HE1 PHE 68 HE2 PHE 68 -0.372 5.030 -11.582
545 HE2 PHE 68 HE1 PHE 68 -0.322 4.988 -7.293
546 HZ PHE 68 HZ PHE 68 -0.756 6.174 -9.417
547 H GLU 69 HN GLU 69 2.807 2.671 -8.693
548 HA GLU 69 HA GLU 69 4.723 4.265 -10.162
549 1HB GLU 69 HB2 GLU 69 2.437 4.856 -11.217
550 2HB GLU 69 HB1 GLU 69 2.089 5.665 -9.689
551 1HG GLU 69 HG2 GLU 69 3.022 7.390 -10.981
552 2HG GLU 69 HG1 GLU 69 4.403 6.816 -10.045
553 H LYS 70 HN LYS 70 5.981 5.173 -8.602
554 HA LYS 70 HA LYS 70 5.004 5.238 -5.837
555 1HB LYS 70 HB2 LYS 70 7.405 5.887 -5.422
556 2HB LYS 70 HB1 LYS 70 7.208 4.332 -6.215
557 1HG LYS 70 HG2 LYS 70 7.834 5.198 -8.316
558 2HG LYS 70 HG1 LYS 70 7.570 6.864 -7.806
559 1HD LYS 70 HD2 LYS 70 9.932 6.590 -7.803
560 2HD LYS 70 HD1 LYS 70 9.456 6.476 -6.107
561 1HE LYS 70 HE2 LYS 70 9.962 4.248 -5.974
562 2HE LYS 70 HE1 LYS 70 9.453 3.928 -7.633
563 1HZ LYS 70 HZ2 LYS 70 11.589 5.535 -7.973
564 2HZ LYS 70 HZ1 LYS 70 12.053 4.634 -6.609
565 3HZ LYS 70 HZ3 LYS 70 11.633 3.839 -8.047
566 H LEU 71 HN LEU 71 5.100 7.176 -4.551
567 HA LEU 71 HA LEU 71 5.247 9.710 -6.123
568 1HB LEU 71 HB2 LEU 71 3.351 10.615 -5.033
569 2HB LEU 71 HB1 LEU 71 2.871 8.989 -5.483
570 HG LEU 71 HG LEU 71 4.117 8.903 -2.891
571 1HD1 LEU 71 HD12 LEU 71 2.255 11.159 -3.437
572 2HD1 LEU 71 HD11 LEU 71 1.973 10.242 -1.956
573 3HD1 LEU 71 HD13 LEU 71 3.530 11.023 -2.226
574 1HD2 LEU 71 HD22 LEU 71 2.182 7.538 -4.166
575 2HD2 LEU 71 HD21 LEU 71 2.289 7.581 -2.407
576 3HD2 LEU 71 HD23 LEU 71 1.168 8.649 -3.248
577 H GLU 72 HN GLU 72 4.767 11.336 -3.812
578 HA GLU 72 HA GLU 72 6.766 10.604 -1.799
579 1HB GLU 72 HB2 GLU 72 7.463 12.304 -4.104
580 2HB GLU 72 HB1 GLU 72 7.878 13.004 -2.539
581 1HG GLU 72 HG2 GLU 72 9.467 11.424 -2.105
582 2HG GLU 72 HG1 GLU 72 8.529 10.132 -2.855
583 H TYR 73 HN TYR 73 7.027 12.376 -0.171
584 HA TYR 73 HA TYR 73 4.999 14.510 -0.211
585 1HB TYR 73 HB2 TYR 73 4.205 12.132 0.865
586 2HB TYR 73 HB1 TYR 73 4.911 12.914 2.281
587 HD1 TYR 73 HD2 TYR 73 2.878 14.016 -0.682
588 HD2 TYR 73 HD1 TYR 73 3.370 14.073 3.585
589 HE1 TYR 73 HE2 TYR 73 0.866 15.449 -0.470
590 HE2 TYR 73 HE1 TYR 73 1.358 15.508 3.798
591 HH TYR 73 HH TYR 73 0.133 17.209 2.171
592 H GLU 74 HN GLU 74 5.198 15.723 2.040
593 HA GLU 74 HA GLU 74 7.811 15.494 3.345
594 1HB GLU 74 HB2 GLU 74 7.968 16.828 1.044
595 2HB GLU 74 HB1 GLU 74 7.325 18.139 2.033
596 1HG GLU 74 HG2 GLU 74 9.439 16.713 3.426
597 2HG GLU 74 HG1 GLU 74 9.998 17.336 1.874
598 H PHE 75 HN PHE 75 7.059 15.674 5.390
599 HA PHE 75 HA PHE 75 4.816 17.431 6.053
600 1HB PHE 75 HB2 PHE 75 6.313 15.285 7.321
601 2HB PHE 75 HB1 PHE 75 6.114 16.647 8.421
602 HD1 PHE 75 HD1 PHE 75 3.975 15.121 5.737
603 HD2 PHE 75 HD2 PHE 75 4.298 16.327 9.847
604 HE1 PHE 75 HE1 PHE 75 1.616 14.455 6.117
605 HE2 PHE 75 HE2 PHE 75 1.939 15.662 10.227
606 HZ PHE 75 HZ PHE 75 0.599 14.725 8.362
607 HA PRO 76 HA PRO 76 7.093 20.951 7.388
608 1HB PRO 76 HB2 PRO 76 6.129 21.253 10.030
609 2HB PRO 76 HB1 PRO 76 5.409 21.929 8.562
610 1HG PRO 76 HG2 PRO 76 4.391 19.777 10.225
611 2HG PRO 76 HG1 PRO 76 3.627 20.531 8.819
612 1HD PRO 76 HD2 PRO 76 4.906 17.938 8.980
613 2HD PRO 76 HD1 PRO 76 4.066 18.664 7.595
614 H ASP 77 HN ASP 77 8.416 18.290 8.095
615 HA ASP 77 HA ASP 77 10.408 19.385 9.877
616 1HB ASP 77 HB2 ASP 77 8.286 17.937 11.025
617 2HB ASP 77 HB1 ASP 77 9.669 16.844 11.013
618 H ARG 78 HN ARG 78 9.187 16.541 8.190
619 HA ARG 78 HA ARG 78 11.974 15.904 7.456
620 1HB ARG 78 HB2 ARG 78 10.970 13.466 7.581
621 2HB ARG 78 HB1 ARG 78 11.647 14.236 9.003
622 1HG ARG 78 HG2 ARG 78 9.210 15.091 9.393
623 2HG ARG 78 HG1 ARG 78 8.761 13.800 8.280
624 1HD ARG 78 HD2 ARG 78 9.603 12.121 9.711
625 2HD ARG 78 HD1 ARG 78 10.571 13.269 10.632
626 HE ARG 78 HE ARG 78 7.941 14.099 11.023
627 1HH1 ARG 78 HH21 ARG 78 8.802 10.852 10.809
628 2HH1 ARG 78 HH22 ARG 78 8.269 10.429 12.401
629 1HH2 ARG 78 HH11 ARG 78 7.652 13.702 13.359
630 2HH2 ARG 78 HH12 ARG 78 7.617 12.040 13.842
631 H HIS 79 HN HIS 79 11.733 13.952 5.732
632 HA HIS 79 HA HIS 79 9.738 14.903 3.717
633 1HB HIS 79 HB2 HIS 79 12.207 13.351 2.988
634 2HB HIS 79 HB1 HIS 79 11.297 14.509 2.018
635 HD1 HIS 79 HD1 HIS 79 14.460 14.382 3.335
636 HD2 HIS 79 HD2 HIS 79 11.399 17.162 3.866
637 HE1 HIS 79 HE1 HIS 79 15.564 16.522 4.120
638 H ILE 80 HN ILE 80 8.204 13.421 3.167
639 HA ILE 80 HA ILE 80 8.542 10.654 4.170
640 HB ILE 80 HB ILE 80 6.052 11.498 2.761
641 1HG1 ILE 80 HG12 ILE 80 6.563 13.507 4.063
642 2HG1 ILE 80 HG11 ILE 80 5.251 12.624 4.846
643 1HG2 ILE 80 HG21 ILE 80 6.936 9.439 4.522
644 2HG2 ILE 80 HG23 ILE 80 5.708 10.373 5.376
645 3HG2 ILE 80 HG22 ILE 80 5.334 9.645 3.815
646 1HD1 ILE 80 HD13 ILE 80 6.919 11.560 6.363
647 2HD1 ILE 80 HD12 ILE 80 8.181 12.547 5.625
648 3HD1 ILE 80 HD11 ILE 80 6.878 13.314 6.532
649 H THR 81 HN THR 81 8.347 8.836 2.789
650 HA THR 81 HA THR 81 8.046 9.215 -0.103
651 HB THR 81 HB THR 81 10.683 8.320 1.106
652 HG1 THR 81 HG1 THR 81 9.888 10.476 -0.550
653 1HG2 THR 81 HG21 THR 81 10.010 6.901 -0.810
654 2HG2 THR 81 HG23 THR 81 9.792 8.349 -1.792
655 3HG2 THR 81 HG22 THR 81 11.397 7.915 -1.208
656 H LEU 82 HN LEU 82 6.532 7.608 -0.334
657 HA LEU 82 HA LEU 82 7.299 4.885 0.626
658 1HB LEU 82 HB2 LEU 82 5.711 5.758 2.250
659 2HB LEU 82 HB1 LEU 82 4.605 6.237 0.962
660 HG LEU 82 HG LEU 82 5.236 3.478 0.591
661 1HD1 LEU 82 HD11 LEU 82 4.334 4.206 3.396
662 2HD1 LEU 82 HD13 LEU 82 4.339 2.575 2.725
663 3HD1 LEU 82 HD12 LEU 82 5.861 3.434 2.966
664 1HD2 LEU 82 HD21 LEU 82 2.885 5.225 1.083
665 2HD2 LEU 82 HD23 LEU 82 3.139 4.008 -0.168
666 3HD2 LEU 82 HD22 LEU 82 2.663 3.517 1.457
667 H TRP 83 HN TRP 83 7.098 3.378 -0.985
668 HA TRP 83 HA TRP 83 5.391 4.091 -3.323
669 1HB TRP 83 HB2 TRP 83 7.105 2.247 -4.306
670 2HB TRP 83 HB1 TRP 83 7.394 3.978 -4.407
671 HD1 TRP 83 HD1 TRP 83 8.069 1.097 -1.903
672 HE1 TRP 83 HE1 TRP 83 10.402 1.475 -0.869
673 HE3 TRP 83 HE3 TRP 83 9.328 5.511 -4.144
674 HZ2 TRP 83 HZ2 TRP 83 12.515 3.402 -0.968
675 HZ3 TRP 83 HZ3 TRP 83 11.501 6.597 -3.654
676 HH2 TRP 83 HH2 TRP 83 13.094 5.549 -2.071
677 H PHE 84 HN PHE 84 4.174 2.393 -4.257
678 HA PHE 84 HA PHE 84 4.074 -0.149 -2.706
679 1HB PHE 84 HB2 PHE 84 1.547 0.118 -3.683
680 2HB PHE 84 HB1 PHE 84 2.008 0.609 -2.059
681 HD1 PHE 84 HD2 PHE 84 2.882 3.038 -1.780
682 HD2 PHE 84 HD1 PHE 84 0.680 1.670 -5.199
683 HE1 PHE 84 HE2 PHE 84 2.306 5.382 -2.347
684 HE2 PHE 84 HE1 PHE 84 0.100 4.011 -5.766
685 HZ PHE 84 HZ PHE 84 0.915 5.866 -4.341
686 H TRP 85 HN TRP 85 4.506 -1.859 -4.090
687 HA TRP 85 HA TRP 85 4.322 -1.298 -6.985
688 1HB TRP 85 HB2 TRP 85 5.576 -3.353 -7.340
689 2HB TRP 85 HB1 TRP 85 6.381 -2.387 -6.108
690 HD1 TRP 85 HD1 TRP 85 3.711 -3.546 -4.174
691 HE1 TRP 85 HE1 TRP 85 4.201 -5.775 -2.969
692 HE3 TRP 85 HE3 TRP 85 7.746 -5.127 -6.861
693 HZ2 TRP 85 HZ2 TRP 85 6.067 -7.931 -3.119
694 HZ3 TRP 85 HZ3 TRP 85 8.862 -7.269 -6.312
695 HH2 TRP 85 HH2 TRP 85 8.030 -8.674 -4.445
696 H LEU 86 HN LEU 86 2.010 -1.226 -7.022
697 HA LEU 86 HA LEU 86 0.153 -3.033 -6.170
698 1HB LEU 86 HB2 LEU 86 0.425 -1.319 -8.586
699 2HB LEU 86 HB1 LEU 86 -0.820 -2.548 -8.633
700 HG LEU 86 HG LEU 86 -1.966 -0.725 -7.734
701 1HD1 LEU 86 HD11 LEU 86 -1.893 -2.813 -6.197
702 2HD1 LEU 86 HD13 LEU 86 -0.904 -1.793 -5.154
703 3HD1 LEU 86 HD12 LEU 86 -2.552 -1.308 -5.553
704 1HD2 LEU 86 HD21 LEU 86 0.595 -0.134 -6.253
705 2HD2 LEU 86 HD23 LEU 86 -0.178 0.841 -7.502
706 3HD2 LEU 86 HD22 LEU 86 -0.920 0.701 -5.909
707 H VAL 87 HN VAL 87 -0.020 -5.197 -6.357
708 HA VAL 87 HA VAL 87 1.488 -6.576 -8.483
709 HB VAL 87 HB VAL 87 0.846 -8.588 -7.295
710 1HG1 VAL 87 HG13 VAL 87 2.522 -6.708 -6.335
711 2HG1 VAL 87 HG12 VAL 87 1.388 -6.820 -4.988
712 3HG1 VAL 87 HG11 VAL 87 2.257 -8.256 -5.531
713 1HG2 VAL 87 HG23 VAL 87 -1.335 -6.959 -6.466
714 2HG2 VAL 87 HG22 VAL 87 -1.106 -8.689 -6.203
715 3HG2 VAL 87 HG21 VAL 87 -0.492 -7.529 -5.025
716 H GLU 88 HN GLU 88 0.188 -8.415 -9.646
717 HA GLU 88 HA GLU 88 -2.521 -7.330 -10.309
718 1HB GLU 88 HB2 GLU 88 -0.246 -8.110 -12.039
719 2HB GLU 88 HB1 GLU 88 -1.843 -8.620 -12.587
720 1HG GLU 88 HG2 GLU 88 -2.644 -6.414 -12.722
721 2HG GLU 88 HG1 GLU 88 -1.374 -5.792 -11.666
722 H ARG 89 HN ARG 89 -0.690 -10.170 -9.437
723 HA ARG 89 HA ARG 89 -3.173 -11.652 -9.160
724 1HB ARG 89 HB2 ARG 89 -2.322 -13.563 -10.643
725 2HB ARG 89 HB1 ARG 89 -2.970 -12.145 -11.468
726 1HG ARG 89 HG2 ARG 89 -0.090 -12.005 -10.838
727 2HG ARG 89 HG1 ARG 89 -0.538 -13.241 -12.013
728 1HD ARG 89 HD2 ARG 89 -1.173 -10.288 -12.167
729 2HD ARG 89 HD1 ARG 89 -0.080 -11.189 -13.216
730 HE ARG 89 HE ARG 89 -2.717 -10.881 -13.869
731 1HH1 ARG 89 HH21 ARG 89 -0.465 -13.220 -14.331
732 2HH1 ARG 89 HH22 ARG 89 -1.563 -14.548 -14.498
733 1HH2 ARG 89 HH11 ARG 89 -4.322 -12.742 -13.414
734 2HH2 ARG 89 HH12 ARG 89 -3.750 -14.277 -13.978
735 H TRP 90 HN TRP 90 -2.854 -13.698 -8.052
736 HA TRP 90 HA TRP 90 -0.351 -14.790 -7.353
737 1HB TRP 90 HB2 TRP 90 0.253 -13.867 -5.296
738 2HB TRP 90 HB1 TRP 90 -0.243 -12.459 -6.206
739 HD1 TRP 90 HD1 TRP 90 -1.265 -14.680 -3.320
740 HE1 TRP 90 HE1 TRP 90 -3.171 -13.551 -2.002
741 HE3 TRP 90 HE3 TRP 90 -2.304 -10.777 -6.456
742 HZ2 TRP 90 HZ2 TRP 90 -4.905 -11.311 -2.239
743 HZ3 TRP 90 HZ3 TRP 90 -4.106 -9.174 -5.873
744 HH2 TRP 90 HH2 TRP 90 -5.397 -9.432 -3.770
745 H GLU 91 HN GLU 91 -0.679 -15.705 -4.869
746 HA GLU 91 HA GLU 91 -3.409 -16.779 -4.589
747 1HB GLU 91 HB2 GLU 91 -1.681 -18.158 -6.064
748 2HB GLU 91 HB1 GLU 91 -1.125 -18.676 -4.475
749 1HG GLU 91 HG2 GLU 91 -3.598 -19.116 -3.951
750 2HG GLU 91 HG1 GLU 91 -3.861 -18.985 -5.689
751 H GLY 92 HN GLY 92 -3.905 -16.800 -2.410
752 1HA GLY 92 HA2 GLY 92 -3.161 -17.668 -0.162
753 2HA GLY 92 HA1 GLY 92 -1.614 -16.886 -0.483
754 H GLU 93 HN GLU 93 -2.154 -15.831 1.662
755 HA GLU 93 HA GLU 93 -4.042 -13.545 1.291
756 1HB GLU 93 HB2 GLU 93 -3.696 -15.389 3.433
757 2HB GLU 93 HB1 GLU 93 -3.152 -13.815 4.012
758 1HG GLU 93 HG2 GLU 93 -5.332 -12.900 2.947
759 2HG GLU 93 HG1 GLU 93 -5.859 -14.584 2.935
760 HA PRO 94 HA PRO 94 -0.083 -11.429 0.799
761 1HB PRO 94 HB2 PRO 94 -1.597 -9.008 0.460
762 2HB PRO 94 HB1 PRO 94 -0.717 -9.944 -0.755
763 1HG PRO 94 HG2 PRO 94 -3.566 -9.747 -0.423
764 2HG PRO 94 HG1 PRO 94 -2.676 -10.702 -1.615
765 1HD PRO 94 HD2 PRO 94 -4.116 -11.664 0.679
766 2HD PRO 94 HD1 PRO 94 -3.213 -12.606 -0.508
767 H TRP 95 HN TRP 95 0.724 -9.235 1.703
768 HA TRP 95 HA TRP 95 -0.230 -8.859 4.513
769 1HB TRP 95 HB2 TRP 95 2.296 -8.106 4.759
770 2HB TRP 95 HB1 TRP 95 1.888 -9.803 4.803
771 HD1 TRP 95 HD1 TRP 95 2.950 -11.308 2.982
772 HE1 TRP 95 HE1 TRP 95 4.345 -10.886 0.876
773 HE3 TRP 95 HE3 TRP 95 2.667 -6.224 2.765
774 HZ2 TRP 95 HZ2 TRP 95 5.255 -8.666 -0.699
775 HZ3 TRP 95 HZ3 TRP 95 3.810 -4.988 0.952
776 HH2 TRP 95 HH2 TRP 95 5.097 -6.198 -0.779
777 H GLY 96 HN GLY 96 1.452 -6.701 5.077
778 1HA GLY 96 HA2 GLY 96 1.715 -4.593 3.322
779 2HA GLY 96 HA1 GLY 96 0.041 -4.511 3.848
780 H LYS 97 HN LYS 97 -0.354 -3.552 5.818
781 HA LYS 97 HA LYS 97 1.740 -2.263 7.277
782 1HB LYS 97 HB2 LYS 97 -0.917 -1.956 7.294
783 2HB LYS 97 HB1 LYS 97 -0.784 -3.026 8.690
784 1HG LYS 97 HG2 LYS 97 0.345 -1.473 9.947
785 2HG LYS 97 HG1 LYS 97 1.140 -0.759 8.544
786 1HD LYS 97 HD2 LYS 97 -0.946 0.341 7.884
787 2HD LYS 97 HD1 LYS 97 -1.794 -0.420 9.232
788 1HE LYS 97 HE2 LYS 97 -1.288 1.625 10.192
789 2HE LYS 97 HE1 LYS 97 0.153 0.714 10.645
790 1HZ LYS 97 HZ3 LYS 97 1.067 1.546 8.419
791 2HZ LYS 97 HZ2 LYS 97 -0.178 2.699 8.488
792 3HZ LYS 97 HZ1 LYS 97 0.998 2.639 9.713
793 H GLU 98 HN GLU 98 1.788 -2.838 9.857
794 HA GLU 98 HA GLU 98 2.608 -5.703 9.928
795 1HB GLU 98 HB2 GLU 98 3.787 -3.300 10.930
796 2HB GLU 98 HB1 GLU 98 3.373 -4.323 12.308
797 1HG GLU 98 HG2 GLU 98 4.870 -5.317 9.868
798 2HG GLU 98 HG1 GLU 98 5.661 -4.775 11.349
799 H GLY 99 HN GLY 99 1.477 -3.485 12.493
800 1HA GLY 99 HA2 GLY 99 -0.045 -5.684 13.698
801 2HA GLY 99 HA1 GLY 99 0.107 -4.051 14.347
802 H GLN 100 HN GLN 100 -0.729 -4.013 11.058
803 HA GLN 100 HA GLN 100 -3.565 -3.488 11.806
804 1HB GLN 100 HB2 GLN 100 -1.638 -2.099 10.137
805 2HB GLN 100 HB1 GLN 100 -3.108 -2.475 9.239
806 1HG GLN 100 HG2 GLN 100 -4.073 -1.633 11.698
807 2HG GLN 100 HG1 GLN 100 -2.700 -0.561 11.416
808 1HE2 GLN 100 HE22 GLN 100 -4.754 1.412 9.350
809 2HE2 GLN 100 HE21 GLN 100 -3.679 1.345 10.661
810 HA PRO 101 HA PRO 101 -4.352 -7.244 9.537
811 1HB PRO 101 HB2 PRO 101 -7.155 -6.747 9.615
812 2HB PRO 101 HB1 PRO 101 -6.227 -7.829 10.661
813 1HG PRO 101 HG2 PRO 101 -7.422 -5.286 11.351
814 2HG PRO 101 HG1 PRO 101 -6.542 -6.399 12.407
815 1HD PRO 101 HD2 PRO 101 -5.635 -3.869 11.362
816 2HD PRO 101 HD1 PRO 101 -4.757 -4.989 12.423
817 H GLY 102 HN GLY 102 -6.430 -4.470 8.834
818 1HA GLY 102 HA2 GLY 102 -6.624 -3.336 6.719
819 2HA GLY 102 HA1 GLY 102 -5.711 -4.644 5.967
820 H GLU 103 HN GLU 103 -8.001 -3.923 4.640
821 HA GLU 103 HA GLU 103 -9.733 -6.282 5.208
822 1HB GLU 103 HB2 GLU 103 -11.764 -5.006 5.060
823 2HB GLU 103 HB1 GLU 103 -10.734 -4.206 6.245
824 1HG GLU 103 HG2 GLU 103 -10.134 -2.483 4.727
825 2HG GLU 103 HG1 GLU 103 -10.739 -3.387 3.338
826 H TRP 104 HN TRP 104 -10.675 -7.193 3.364
827 HA TRP 104 HA TRP 104 -9.502 -6.300 0.801
828 1HB TRP 104 HB2 TRP 104 -11.396 -8.576 0.795
829 2HB TRP 104 HB1 TRP 104 -9.799 -8.445 0.068
830 HD1 TRP 104 HD1 TRP 104 -8.115 -7.800 2.659
831 HE1 TRP 104 HE1 TRP 104 -7.736 -9.645 4.422
832 HE3 TRP 104 HE3 TRP 104 -12.004 -10.912 1.534
833 HZ2 TRP 104 HZ2 TRP 104 -8.925 -12.115 5.244
834 HZ3 TRP 104 HZ3 TRP 104 -12.359 -13.000 2.819
835 HH2 TRP 104 HH2 TRP 104 -10.826 -13.606 4.671
836 H MET 105 HN MET 105 -10.646 -4.633 -0.125
837 HA MET 105 HA MET 105 -13.605 -4.644 0.085
838 1HB MET 105 HB2 MET 105 -11.786 -2.598 0.251
839 2HB MET 105 HB1 MET 105 -12.298 -2.479 -1.434
840 1HG MET 105 HG2 MET 105 -14.654 -2.433 -0.722
841 2HG MET 105 HG1 MET 105 -14.151 -2.562 0.964
842 1HE MET 105 HE3 MET 105 -12.167 -1.225 1.739
843 2HE MET 105 HE2 MET 105 -11.292 -0.481 0.404
844 3HE MET 105 HE1 MET 105 -12.083 0.536 1.603
845 H SER 106 HN SER 106 -14.924 -4.529 -1.829
846 HA SER 106 HA SER 106 -13.580 -5.668 -4.242
847 1HB SER 106 HB2 SER 106 -15.984 -6.363 -2.835
848 2HB SER 106 HB1 SER 106 -16.414 -5.837 -4.460
849 HG SER 106 HG SER 106 -14.830 -7.311 -5.243
850 H LEU 107 HN LEU 107 -13.085 -3.940 -5.557
851 HA LEU 107 HA LEU 107 -15.347 -2.258 -6.465
852 1HB LEU 107 HB2 LEU 107 -12.813 -1.191 -5.196
853 2HB LEU 107 HB1 LEU 107 -13.845 -0.205 -6.232
854 HG LEU 107 HG LEU 107 -14.968 -1.709 -3.869
855 1HD1 LEU 107 HD13 LEU 107 -13.120 -0.200 -3.115
856 2HD1 LEU 107 HD12 LEU 107 -13.954 1.150 -3.886
857 3HD1 LEU 107 HD11 LEU 107 -14.703 0.310 -2.529
858 1HD2 LEU 107 HD21 LEU 107 -16.361 -0.668 -5.799
859 2HD2 LEU 107 HD23 LEU 107 -16.831 -0.283 -4.143
860 3HD2 LEU 107 HD22 LEU 107 -15.910 0.884 -5.092
861 H VAL 108 HN VAL 108 -11.785 -2.264 -6.793
862 HA VAL 108 HA VAL 108 -10.450 -2.663 -8.668
863 HB VAL 108 HB VAL 108 -12.652 -4.195 -9.077
864 1HG1 VAL 108 HG13 VAL 108 -13.412 -2.114 -10.572
865 2HG1 VAL 108 HG12 VAL 108 -12.356 -2.881 -11.755
866 3HG1 VAL 108 HG11 VAL 108 -13.727 -3.770 -11.091
867 1HG2 VAL 108 HG23 VAL 108 -9.981 -4.023 -9.973
868 2HG2 VAL 108 HG22 VAL 108 -11.035 -5.433 -10.035
869 3HG2 VAL 108 HG21 VAL 108 -10.955 -4.333 -11.410
870 H GLY 109 HN GLY 109 -12.705 -0.316 -8.238
871 1HA GLY 109 HA2 GLY 109 -11.514 1.345 -10.392
872 2HA GLY 109 HA1 GLY 109 -13.275 1.309 -10.217
873 H LEU 110 HN LEU 110 -11.249 0.927 -7.447
874 HA LEU 110 HA LEU 110 -12.419 2.696 -5.753
875 1HB LEU 110 HB2 LEU 110 -9.920 1.344 -5.882
876 2HB LEU 110 HB1 LEU 110 -9.604 2.999 -5.366
877 HG LEU 110 HG LEU 110 -11.585 1.076 -4.122
878 1HD1 LEU 110 HD12 LEU 110 -8.872 1.238 -3.735
879 2HD1 LEU 110 HD11 LEU 110 -9.472 2.349 -2.503
880 3HD1 LEU 110 HD13 LEU 110 -10.019 0.672 -2.520
881 1HD2 LEU 110 HD23 LEU 110 -11.142 4.024 -3.863
882 2HD2 LEU 110 HD22 LEU 110 -12.644 3.105 -3.766
883 3HD2 LEU 110 HD21 LEU 110 -11.529 3.118 -2.400
884 H ASN 111 HN ASN 111 -12.284 4.910 -5.285
885 HA ASN 111 HA ASN 111 -10.956 6.566 -7.392
886 1HB ASN 111 HB2 ASN 111 -13.628 6.544 -6.667
887 2HB ASN 111 HB1 ASN 111 -12.985 7.904 -5.745
888 1HD2 ASN 111 HD22 ASN 111 -13.437 8.249 -9.747
889 2HD2 ASN 111 HD21 ASN 111 -13.945 6.866 -8.904
890 H ALA 112 HN ALA 112 -10.881 8.997 -6.190
891 HA ALA 112 HA ALA 112 -8.942 8.524 -4.007
892 1HB ALA 112 HB3 ALA 112 -8.571 10.120 -6.001
893 2HB ALA 112 HB2 ALA 112 -9.698 11.202 -5.184
894 3HB ALA 112 HB1 ALA 112 -8.189 10.741 -4.395
895 H ASP 113 HN ASP 113 -12.134 8.627 -4.003
896 HA ASP 113 HA ASP 113 -12.591 10.676 -1.972
897 1HB ASP 113 HB2 ASP 113 -14.171 9.679 -3.881
898 2HB ASP 113 HB1 ASP 113 -14.617 8.589 -2.574
899 H ASP 114 HN ASP 114 -12.580 7.115 -2.162
900 HA ASP 114 HA ASP 114 -13.094 6.855 0.702
901 1HB ASP 114 HB2 ASP 114 -13.062 5.116 -1.586
902 2HB ASP 114 HB1 ASP 114 -11.993 4.450 -0.350
903 H PHE 115 HN PHE 115 -10.370 7.454 -1.273
904 HA PHE 115 HA PHE 115 -8.523 6.371 0.786
905 1HB PHE 115 HB2 PHE 115 -8.239 7.169 -2.064
906 2HB PHE 115 HB1 PHE 115 -6.839 7.439 -1.025
907 HD1 PHE 115 HD2 PHE 115 -7.068 5.229 0.920
908 HD2 PHE 115 HD1 PHE 115 -7.698 5.244 -3.331
909 HE1 PHE 115 HE2 PHE 115 -6.558 2.810 0.832
910 HE2 PHE 115 HE1 PHE 115 -7.178 2.822 -3.415
911 HZ PHE 115 HZ PHE 115 -6.607 1.605 -1.333
912 HA PRO 116 HA PRO 116 -8.202 10.283 2.706
913 1HB PRO 116 HB2 PRO 116 -5.572 9.740 3.692
914 2HB PRO 116 HB1 PRO 116 -7.098 9.587 4.560
915 1HG PRO 116 HG2 PRO 116 -5.389 7.471 3.658
916 2HG PRO 116 HG1 PRO 116 -6.964 7.322 4.448
917 1HD PRO 116 HD2 PRO 116 -6.297 6.888 1.646
918 2HD PRO 116 HD1 PRO 116 -7.824 6.566 2.483
919 HA PRO 117 HA PRO 117 -5.969 12.780 -0.163
920 1HB PRO 117 HB2 PRO 117 -5.634 14.918 1.715
921 2HB PRO 117 HB1 PRO 117 -6.853 14.778 0.441
922 1HG PRO 117 HG2 PRO 117 -7.242 14.525 3.294
923 2HG PRO 117 HG1 PRO 117 -8.459 14.416 2.016
924 1HD PRO 117 HD2 PRO 117 -7.374 12.271 3.608
925 2HD PRO 117 HD1 PRO 117 -8.593 12.165 2.322
926 H ALA 118 HN ALA 118 -3.827 12.684 -0.647
927 HA ALA 118 HA ALA 118 -1.620 13.649 0.631
928 1HB ALA 118 HB1 ALA 118 -2.612 11.229 2.029
929 2HB ALA 118 HB3 ALA 118 -0.883 11.238 1.676
930 3HB ALA 118 HB2 ALA 118 -1.595 12.539 2.631
931 H ASN 119 HN ASN 119 -2.954 10.813 -0.933
932 HA ASN 119 HA ASN 119 -0.491 10.513 -2.550
933 1HB ASN 119 HB2 ASN 119 -2.705 8.620 -1.732
934 2HB ASN 119 HB1 ASN 119 -1.578 8.248 -3.021
935 1HD2 ASN 119 HD22 ASN 119 -0.338 8.077 0.860
936 2HD2 ASN 119 HD21 ASN 119 -1.874 8.684 0.469
937 H GLU 120 HN GLU 120 -2.223 12.585 -3.175
938 HA GLU 120 HA GLU 120 -4.384 11.966 -4.895
939 1HB GLU 120 HB2 GLU 120 -2.587 14.373 -5.181
940 2HB GLU 120 HB1 GLU 120 -4.295 14.245 -5.598
941 1HG GLU 120 HG2 GLU 120 -4.695 13.699 -3.121
942 2HG GLU 120 HG1 GLU 120 -3.046 14.263 -2.847
943 HA PRO 121 HA PRO 121 -1.212 12.410 -8.559
944 1HB PRO 121 HB2 PRO 121 1.325 11.421 -7.705
945 2HB PRO 121 HB1 PRO 121 0.914 13.080 -8.161
946 1HG PRO 121 HG2 PRO 121 1.488 12.062 -5.519
947 2HG PRO 121 HG1 PRO 121 1.108 13.726 -5.985
948 1HD PRO 121 HD2 PRO 121 -0.588 11.817 -4.619
949 2HD PRO 121 HD1 PRO 121 -0.939 13.515 -5.003
950 H VAL 122 HN VAL 122 -0.941 9.807 -6.188
951 HA VAL 122 HA VAL 122 -0.519 7.806 -8.335
952 HB VAL 122 HB VAL 122 -0.710 6.327 -6.105
953 1HG1 VAL 122 HG13 VAL 122 1.383 7.455 -7.678
954 2HG1 VAL 122 HG12 VAL 122 1.887 7.489 -5.990
955 3HG1 VAL 122 HG11 VAL 122 1.415 5.963 -6.738
956 1HG2 VAL 122 HG23 VAL 122 -1.231 8.524 -4.864
957 2HG2 VAL 122 HG22 VAL 122 -0.053 7.430 -4.144
958 3HG2 VAL 122 HG21 VAL 122 0.492 8.854 -5.030
959 H ILE 123 HN ILE 123 -2.804 8.728 -5.847
960 HA ILE 123 HA ILE 123 -4.770 6.728 -6.214
961 HB ILE 123 HB ILE 123 -5.012 9.645 -5.419
962 1HG1 ILE 123 HG12 ILE 123 -3.619 7.930 -4.050
963 2HG1 ILE 123 HG11 ILE 123 -4.813 8.902 -3.192
964 1HG2 ILE 123 HG22 ILE 123 -7.006 7.372 -5.294
965 2HG2 ILE 123 HG21 ILE 123 -7.188 8.888 -4.411
966 3HG2 ILE 123 HG23 ILE 123 -7.173 8.893 -6.173
967 1HD1 ILE 123 HD13 ILE 123 -5.550 6.208 -4.331
968 2HD1 ILE 123 HD12 ILE 123 -4.776 6.338 -2.751
969 3HD1 ILE 123 HD11 ILE 123 -6.336 7.109 -3.033
970 H ALA 124 HN ALA 124 -4.041 9.740 -7.885
971 HA ALA 124 HA ALA 124 -6.352 9.988 -9.485
972 1HB ALA 124 HB1 ALA 124 -3.800 11.160 -9.418
973 2HB ALA 124 HB3 ALA 124 -3.941 10.475 -11.037
974 3HB ALA 124 HB2 ALA 124 -5.142 11.631 -10.461
975 H LYS 125 HN LYS 125 -3.505 7.903 -9.879
976 HA LYS 125 HA LYS 125 -4.495 6.794 -12.390
977 1HB LYS 125 HB2 LYS 125 -2.205 6.067 -10.565
978 2HB LYS 125 HB1 LYS 125 -2.590 5.142 -12.014
979 1HG LYS 125 HG2 LYS 125 -2.493 8.025 -12.514
980 2HG LYS 125 HG1 LYS 125 -0.960 7.384 -11.921
981 1HD LYS 125 HD2 LYS 125 -1.296 5.503 -13.661
982 2HD LYS 125 HD1 LYS 125 -2.503 6.569 -14.380
983 1HE LYS 125 HE2 LYS 125 -0.853 8.324 -14.681
984 2HE LYS 125 HE1 LYS 125 0.360 7.383 -13.813
985 1HZ LYS 125 HZ1 LYS 125 -0.452 5.664 -15.717
986 2HZ LYS 125 HZ3 LYS 125 -0.546 7.145 -16.539
987 3HZ LYS 125 HZ2 LYS 125 0.921 6.658 -15.834
988 H LEU 126 HN LEU 126 -4.595 5.933 -8.975
989 HA LEU 126 HA LEU 126 -5.333 3.222 -9.159
990 1HB LEU 126 HB2 LEU 126 -5.655 5.426 -7.221
991 2HB LEU 126 HB1 LEU 126 -6.766 4.082 -7.032
992 HG LEU 126 HG LEU 126 -4.995 2.517 -6.744
993 1HD1 LEU 126 HD13 LEU 126 -3.576 3.439 -8.591
994 2HD1 LEU 126 HD12 LEU 126 -3.069 4.734 -7.506
995 3HD1 LEU 126 HD11 LEU 126 -2.649 3.060 -7.139
996 1HD2 LEU 126 HD22 LEU 126 -5.432 4.092 -4.824
997 2HD2 LEU 126 HD21 LEU 126 -3.814 3.388 -4.827
998 3HD2 LEU 126 HD23 LEU 126 -4.056 5.048 -5.374
999 H LYS 127 HN LYS 127 -7.112 6.127 -9.869
1000 HA LYS 127 HA LYS 127 -9.767 5.223 -9.665
1001 1HB LYS 127 HB2 LYS 127 -8.378 7.134 -11.556
1002 2HB LYS 127 HB1 LYS 127 -10.116 6.897 -11.549
1003 1HG LYS 127 HG2 LYS 127 -10.077 7.420 -9.065
1004 2HG LYS 127 HG1 LYS 127 -8.400 7.915 -9.284
1005 1HD LYS 127 HD2 LYS 127 -9.322 9.425 -11.189
1006 2HD LYS 127 HD1 LYS 127 -10.891 9.168 -10.423
1007 1HE LYS 127 HE2 LYS 127 -10.388 10.543 -8.695
1008 2HE LYS 127 HE1 LYS 127 -8.785 9.835 -8.497
1009 1HZ LYS 127 HZ3 LYS 127 -8.696 11.216 -10.876
1010 2HZ LYS 127 HZ2 LYS 127 -9.534 12.241 -9.810
1011 3HZ LYS 127 HZ1 LYS 127 -7.984 11.675 -9.407
1012 H ARG 128 HN ARG 128 -7.455 5.014 -12.358
1013 HA ARG 128 HA ARG 128 -9.266 3.364 -13.927
1014 1HB ARG 128 HB2 ARG 128 -6.647 4.699 -14.304
1015 2HB ARG 128 HB1 ARG 128 -6.910 3.231 -15.236
1016 1HG ARG 128 HG2 ARG 128 -9.046 4.166 -16.086
1017 2HG ARG 128 HG1 ARG 128 -8.734 5.649 -15.184
1018 1HD ARG 128 HD2 ARG 128 -6.376 5.194 -16.619
1019 2HD ARG 128 HD1 ARG 128 -7.668 4.808 -17.755
1020 HE ARG 128 HE ARG 128 -8.469 7.211 -16.627
1021 1HH1 ARG 128 HH21 ARG 128 -6.419 6.028 -19.020
1022 2HH1 ARG 128 HH22 ARG 128 -5.640 7.542 -19.343
1023 1HH2 ARG 128 HH11 ARG 128 -7.129 9.181 -16.675
1024 2HH2 ARG 128 HH12 ARG 128 -6.042 9.326 -18.016
1025 H LEU 129 HN LEU 129 -7.135 2.831 -11.383
1026 HA LEU 129 HA LEU 129 -5.626 0.590 -11.904
1027 1HB LEU 129 HB2 LEU 129 -6.375 1.784 -9.615
1028 2HB LEU 129 HB1 LEU 129 -7.390 0.347 -9.515
1029 HG LEU 129 HG LEU 129 -4.924 -0.646 -10.338
1030 1HD1 LEU 129 HD11 LEU 129 -4.566 1.517 -8.242
1031 2HD1 LEU 129 HD13 LEU 129 -3.358 0.292 -8.627
1032 3HD1 LEU 129 HD12 LEU 129 -3.829 1.481 -9.843
1033 1HD2 LEU 129 HD22 LEU 129 -6.721 -0.784 -8.085
1034 2HD2 LEU 129 HD21 LEU 129 -5.609 -2.015 -8.683
1035 3HD2 LEU 129 HD23 LEU 129 -5.053 -0.818 -7.513
No H/Q in entry = 1035
Start of MODEL 10
1 1H MET 1 HT3 MET 1 14.952 16.981 8.200
2 2H MET 1 HT2 MET 1 16.415 17.436 8.938
3 3H MET 1 HT1 MET 1 15.316 18.624 8.422
4 HA MET 1 HA MET 1 15.661 18.008 6.123
5 1HB MET 1 HB2 MET 1 18.129 18.572 7.784
6 2HB MET 1 HB1 MET 1 18.138 18.606 6.021
7 1HG MET 1 HG2 MET 1 15.916 20.115 7.216
8 2HG MET 1 HG1 MET 1 17.508 20.752 7.630
9 1HE MET 1 HE3 MET 1 14.845 20.095 5.549
10 2HE MET 1 HE2 MET 1 14.901 21.559 4.571
11 3HE MET 1 HE1 MET 1 15.362 20.014 3.859
12 H LYS 2 HN LYS 2 15.132 15.502 6.687
13 HA LYS 2 HA LYS 2 17.581 14.005 5.855
14 1HB LYS 2 HB2 LYS 2 16.465 12.057 7.184
15 2HB LYS 2 HB1 LYS 2 17.340 13.296 8.084
16 1HG LYS 2 HG2 LYS 2 15.454 14.078 9.075
17 2HG LYS 2 HG1 LYS 2 14.514 13.958 7.587
18 1HD LYS 2 HD2 LYS 2 13.615 12.001 8.240
19 2HD LYS 2 HD1 LYS 2 15.212 11.318 8.551
20 1HE LYS 2 HE2 LYS 2 14.549 13.269 10.582
21 2HE LYS 2 HE1 LYS 2 13.279 12.050 10.469
22 1HZ LYS 2 HZ1 LYS 2 16.008 11.062 10.374
23 2HZ LYS 2 HZ3 LYS 2 15.515 11.711 11.862
24 3HZ LYS 2 HZ2 LYS 2 14.647 10.426 11.168
25 H LYS 3 HN LYS 3 16.916 11.824 4.856
26 HA LYS 3 HA LYS 3 14.325 12.123 3.391
27 1HB LYS 3 HB2 LYS 3 16.144 12.675 1.865
28 2HB LYS 3 HB1 LYS 3 16.995 11.193 2.297
29 1HG LYS 3 HG2 LYS 3 15.104 9.860 1.416
30 2HG LYS 3 HG1 LYS 3 14.283 11.350 0.951
31 1HD LYS 3 HD2 LYS 3 17.074 10.727 -0.015
32 2HD LYS 3 HD1 LYS 3 15.649 10.142 -0.875
33 1HE LYS 3 HE2 LYS 3 15.160 12.869 -0.319
34 2HE LYS 3 HE1 LYS 3 16.820 12.780 -0.908
35 1HZ LYS 3 HZ3 LYS 3 15.028 11.117 -2.396
36 2HZ LYS 3 HZ2 LYS 3 14.576 12.754 -2.447
37 3HZ LYS 3 HZ1 LYS 3 16.130 12.282 -2.947
38 H LEU 4 HN LEU 4 13.091 10.534 4.284
39 HA LEU 4 HA LEU 4 14.344 7.838 4.609
40 1HB LEU 4 HB2 LEU 4 12.597 7.407 6.315
41 2HB LEU 4 HB1 LEU 4 13.595 8.795 6.747
42 HG LEU 4 HG LEU 4 11.457 9.763 5.137
43 1HD1 LEU 4 HD12 LEU 4 10.570 7.428 6.151
44 2HD1 LEU 4 HD11 LEU 4 10.242 8.474 7.532
45 3HD1 LEU 4 HD13 LEU 4 9.523 8.833 5.962
46 1HD2 LEU 4 HD23 LEU 4 12.261 9.962 8.041
47 2HD2 LEU 4 HD22 LEU 4 12.430 11.174 6.772
48 3HD2 LEU 4 HD21 LEU 4 10.836 10.802 7.430
49 H GLN 5 HN GLN 5 12.306 6.156 4.643
50 HA GLN 5 HA GLN 5 10.340 6.822 2.554
51 1HB GLN 5 HB2 GLN 5 11.205 4.435 1.540
52 2HB GLN 5 HB1 GLN 5 11.690 6.003 0.908
53 1HG GLN 5 HG2 GLN 5 13.609 5.933 2.609
54 2HG GLN 5 HG1 GLN 5 13.200 4.232 2.838
55 1HE2 GLN 5 HE22 GLN 5 14.669 3.205 -0.207
56 2HE2 GLN 5 HE21 GLN 5 13.827 2.743 1.193
57 H ILE 6 HN ILE 6 8.692 5.094 2.355
58 HA ILE 6 HA ILE 6 8.591 3.399 4.812
59 HB ILE 6 HB ILE 6 6.437 4.860 3.275
60 1HG1 ILE 6 HG12 ILE 6 7.551 6.146 5.018
61 2HG1 ILE 6 HG11 ILE 6 5.937 5.713 5.580
62 1HG2 ILE 6 HG22 ILE 6 6.140 2.679 5.355
63 2HG2 ILE 6 HG21 ILE 6 4.830 3.723 4.806
64 3HG2 ILE 6 HG23 ILE 6 5.602 2.613 3.676
65 1HD1 ILE 6 HD13 ILE 6 7.499 3.552 6.368
66 2HD1 ILE 6 HD12 ILE 6 8.543 4.944 6.659
67 3HD1 ILE 6 HD11 ILE 6 6.950 4.862 7.413
68 H ALA 7 HN ALA 7 7.147 1.400 4.452
69 HA ALA 7 HA ALA 7 7.494 0.388 1.658
70 1HB ALA 7 HB3 ALA 7 9.051 -0.522 3.571
71 2HB ALA 7 HB2 ALA 7 7.622 -1.448 4.033
72 3HB ALA 7 HB1 ALA 7 8.325 -1.653 2.429
73 H VAL 8 HN VAL 8 5.505 0.074 0.802
74 HA VAL 8 HA VAL 8 3.393 -1.158 2.538
75 HB VAL 8 HB VAL 8 2.793 1.198 2.209
76 1HG1 VAL 8 HG12 VAL 8 3.271 0.525 -0.700
77 2HG1 VAL 8 HG11 VAL 8 2.430 1.980 -0.166
78 3HG1 VAL 8 HG13 VAL 8 4.120 1.726 0.273
79 1HG2 VAL 8 HG21 VAL 8 1.099 -0.789 1.832
80 2HG2 VAL 8 HG23 VAL 8 0.615 0.858 1.431
81 3HG2 VAL 8 HG22 VAL 8 1.134 -0.242 0.155
82 H GLY 9 HN GLY 9 2.109 -2.707 1.465
83 1HA GLY 9 HA2 GLY 9 2.828 -3.249 -1.380
84 2HA GLY 9 HA1 GLY 9 2.843 -4.560 -0.202
85 H ILE 10 HN ILE 10 0.933 -2.973 -2.456
86 HA ILE 10 HA ILE 10 -1.597 -3.675 -1.098
87 HB ILE 10 HB ILE 10 -1.663 -2.688 -3.880
88 1HG1 ILE 10 HG12 ILE 10 -0.837 -0.791 -1.649
89 2HG1 ILE 10 HG11 ILE 10 0.277 -1.391 -2.870
90 1HG2 ILE 10 HG21 ILE 10 -3.367 -2.912 -1.696
91 2HG2 ILE 10 HG23 ILE 10 -3.035 -1.183 -1.798
92 3HG2 ILE 10 HG22 ILE 10 -3.705 -2.035 -3.190
93 1HD1 ILE 10 HD11 ILE 10 -2.258 -0.260 -3.894
94 2HD1 ILE 10 HD13 ILE 10 -1.124 0.888 -3.181
95 3HD1 ILE 10 HD12 ILE 10 -0.620 -0.124 -4.534
96 H ILE 11 HN ILE 11 -3.163 -5.066 -2.415
97 HA ILE 11 HA ILE 11 -1.754 -6.788 -4.366
98 HB ILE 11 HB ILE 11 -3.269 -8.074 -2.121
99 1HG1 ILE 11 HG12 ILE 11 -0.425 -7.049 -2.147
100 2HG1 ILE 11 HG11 ILE 11 -1.691 -6.682 -0.992
101 1HG2 ILE 11 HG22 ILE 11 -2.171 -9.074 -4.409
102 2HG2 ILE 11 HG21 ILE 11 -0.796 -9.214 -3.315
103 3HG2 ILE 11 HG23 ILE 11 -2.320 -10.008 -2.920
104 1HD1 ILE 11 HD12 ILE 11 -1.020 -9.553 -1.272
105 2HD1 ILE 11 HD11 ILE 11 0.231 -8.541 -0.556
106 3HD1 ILE 11 HD13 ILE 11 -1.367 -8.610 0.179
107 H ARG 12 HN ARG 12 -3.017 -7.546 -5.933
108 HA ARG 12 HA ARG 12 -5.982 -7.363 -5.615
109 1HB ARG 12 HB2 ARG 12 -5.370 -5.528 -7.053
110 2HB ARG 12 HB1 ARG 12 -4.287 -6.556 -7.991
111 1HG ARG 12 HG2 ARG 12 -6.243 -7.925 -8.696
112 2HG ARG 12 HG1 ARG 12 -7.303 -6.812 -7.831
113 1HD ARG 12 HD2 ARG 12 -7.242 -6.186 -10.189
114 2HD ARG 12 HD1 ARG 12 -6.425 -4.946 -9.234
115 HE ARG 12 HE ARG 12 -4.374 -6.648 -9.974
116 1HH1 ARG 12 HH11 ARG 12 -5.236 -3.803 -11.058
117 2HH1 ARG 12 HH12 ARG 12 -5.073 -4.096 -12.757
118 1HH2 ARG 12 HH21 ARG 12 -4.869 -7.540 -12.411
119 2HH2 ARG 12 HH22 ARG 12 -4.862 -6.212 -13.523
120 H ASN 13 HN ASN 13 -6.990 -9.306 -6.098
121 HA ASN 13 HA ASN 13 -5.249 -11.441 -7.206
122 1HB ASN 13 HB2 ASN 13 -7.186 -11.380 -5.158
123 2HB ASN 13 HB1 ASN 13 -7.868 -12.371 -6.442
124 1HD2 ASN 13 HD22 ASN 13 -4.713 -14.445 -6.313
125 2HD2 ASN 13 HD21 ASN 13 -5.368 -13.406 -7.485
126 H GLU 14 HN GLU 14 -7.390 -13.125 -8.055
127 HA GLU 14 HA GLU 14 -7.815 -11.987 -10.730
128 1HB GLU 14 HB2 GLU 14 -8.617 -14.680 -9.585
129 2HB GLU 14 HB1 GLU 14 -8.684 -14.225 -11.288
130 1HG GLU 14 HG2 GLU 14 -6.098 -13.578 -10.666
131 2HG GLU 14 HG1 GLU 14 -6.360 -14.984 -9.633
132 H ASN 15 HN ASN 15 -9.471 -11.876 -7.834
133 HA ASN 15 HA ASN 15 -12.160 -11.957 -9.067
134 1HB ASN 15 HB2 ASN 15 -11.511 -12.836 -6.687
135 2HB ASN 15 HB1 ASN 15 -11.611 -11.142 -6.223
136 1HD2 ASN 15 HD22 ASN 15 -15.026 -13.214 -7.027
137 2HD2 ASN 15 HD21 ASN 15 -13.505 -13.932 -7.255
138 H ASN 16 HN ASN 16 -10.023 -9.895 -9.632
139 HA ASN 16 HA ASN 16 -9.822 -7.587 -9.893
140 1HB ASN 16 HB2 ASN 16 -11.718 -8.074 -11.358
141 2HB ASN 16 HB1 ASN 16 -12.823 -7.924 -9.997
142 1HD2 ASN 16 HD22 ASN 16 -10.937 -4.468 -11.222
143 2HD2 ASN 16 HD21 ASN 16 -10.074 -5.929 -11.224
144 H GLU 17 HN GLU 17 -9.590 -8.233 -7.201
145 HA GLU 17 HA GLU 17 -10.897 -5.850 -5.967
146 1HB GLU 17 HB2 GLU 17 -10.654 -7.554 -3.822
147 2HB GLU 17 HB1 GLU 17 -12.150 -7.267 -4.706
148 1HG GLU 17 HG2 GLU 17 -11.906 -9.232 -5.992
149 2HG GLU 17 HG1 GLU 17 -10.190 -9.372 -5.611
150 H ILE 18 HN ILE 18 -9.664 -5.188 -3.927
151 HA ILE 18 HA ILE 18 -6.760 -5.817 -4.297
152 HB ILE 18 HB ILE 18 -7.188 -3.387 -2.805
153 1HG1 ILE 18 HG12 ILE 18 -9.354 -3.441 -4.165
154 2HG1 ILE 18 HG11 ILE 18 -8.344 -2.030 -4.391
155 1HG2 ILE 18 HG21 ILE 18 -5.599 -4.445 -4.998
156 2HG2 ILE 18 HG23 ILE 18 -6.103 -2.784 -5.317
157 3HG2 ILE 18 HG22 ILE 18 -5.205 -3.167 -3.848
158 1HD1 ILE 18 HD13 ILE 18 -8.159 -4.449 -6.187
159 2HD1 ILE 18 HD12 ILE 18 -9.238 -3.095 -6.528
160 3HD1 ILE 18 HD11 ILE 18 -7.494 -2.841 -6.473
161 H PHE 19 HN PHE 19 -5.480 -5.495 -2.173
162 HA PHE 19 HA PHE 19 -7.169 -6.380 0.125
163 1HB PHE 19 HB2 PHE 19 -5.807 -8.251 -0.519
164 2HB PHE 19 HB1 PHE 19 -4.378 -7.229 -0.688
165 HD1 PHE 19 HD1 PHE 19 -6.809 -8.608 1.775
166 HD2 PHE 19 HD2 PHE 19 -3.030 -6.655 1.183
167 HE1 PHE 19 HE1 PHE 19 -6.259 -8.952 4.169
168 HE2 PHE 19 HE2 PHE 19 -2.480 -6.998 3.571
169 HZ PHE 19 HZ PHE 19 -4.079 -8.146 5.066
170 H ILE 20 HN ILE 20 -7.365 -4.187 0.863
171 HA ILE 20 HA ILE 20 -5.004 -2.555 1.351
172 HB ILE 20 HB ILE 20 -7.765 -2.252 2.562
173 1HG1 ILE 20 HG12 ILE 20 -7.730 -2.554 0.013
174 2HG1 ILE 20 HG11 ILE 20 -8.477 -1.076 0.617
175 1HG2 ILE 20 HG22 ILE 20 -5.313 -0.632 2.369
176 2HG2 ILE 20 HG21 ILE 20 -6.796 0.235 1.974
177 3HG2 ILE 20 HG23 ILE 20 -6.627 -0.553 3.542
178 1HD1 ILE 20 HD11 ILE 20 -5.580 -1.254 -0.225
179 2HD1 ILE 20 HD13 ILE 20 -6.874 -0.724 -1.299
180 3HD1 ILE 20 HD12 ILE 20 -6.498 0.204 0.152
181 H THR 21 HN THR 21 -4.782 -1.728 3.767
182 HA THR 21 HA THR 21 -5.023 -4.130 5.521
183 HB THR 21 HB THR 21 -3.102 -2.615 6.695
184 HG1 THR 21 HG1 THR 21 -2.829 -2.396 3.888
185 1HG2 THR 21 HG21 THR 21 -3.347 -5.119 5.566
186 2HG2 THR 21 HG23 THR 21 -2.020 -4.408 4.649
187 3HG2 THR 21 HG22 THR 21 -1.917 -4.526 6.403
188 H ARG 22 HN ARG 22 -6.261 -3.807 7.308
189 HA ARG 22 HA ARG 22 -6.479 -1.186 8.560
190 1HB ARG 22 HB2 ARG 22 -8.038 -0.932 6.730
191 2HB ARG 22 HB1 ARG 22 -8.778 -2.488 7.086
192 1HG ARG 22 HG2 ARG 22 -10.264 -1.185 8.217
193 2HG ARG 22 HG1 ARG 22 -9.056 -1.326 9.491
194 1HD ARG 22 HD2 ARG 22 -8.195 0.796 7.836
195 2HD ARG 22 HD1 ARG 22 -9.925 1.044 8.089
196 HE ARG 22 HE ARG 22 -8.976 0.474 10.622
197 1HH1 ARG 22 HH21 ARG 22 -6.442 1.723 9.364
198 2HH1 ARG 22 HH22 ARG 22 -6.613 3.366 9.888
199 1HH2 ARG 22 HH11 ARG 22 -9.949 3.015 10.765
200 2HH2 ARG 22 HH12 ARG 22 -8.600 4.097 10.680
201 H ARG 23 HN ARG 23 -6.558 -1.659 10.730
202 HA ARG 23 HA ARG 23 -7.356 -4.337 11.599
203 1HB ARG 23 HB2 ARG 23 -6.550 -3.578 13.764
204 2HB ARG 23 HB1 ARG 23 -5.367 -3.160 12.538
205 1HG ARG 23 HG2 ARG 23 -6.366 -0.873 12.428
206 2HG ARG 23 HG1 ARG 23 -7.439 -1.312 13.758
207 1HD ARG 23 HD2 ARG 23 -4.410 -1.212 13.828
208 2HD ARG 23 HD1 ARG 23 -5.523 -0.144 14.682
209 HE ARG 23 HE ARG 23 -4.580 -2.413 15.869
210 1HH1 ARG 23 HH21 ARG 23 -7.378 -0.730 16.050
211 2HH1 ARG 23 HH22 ARG 23 -8.399 -2.050 16.515
212 1HH2 ARG 23 HH11 ARG 23 -6.011 -4.476 15.854
213 2HH2 ARG 23 HH12 ARG 23 -7.626 -4.172 16.403
214 H ALA 24 HN ALA 24 -9.504 -2.907 10.457
215 HA ALA 24 HA ALA 24 -11.583 -3.201 12.288
216 1HB ALA 24 HB1 ALA 24 -10.008 -0.884 12.902
217 2HB ALA 24 HB3 ALA 24 -11.595 -0.352 12.350
218 3HB ALA 24 HB2 ALA 24 -11.462 -1.462 13.713
219 H ALA 25 HN ALA 25 -13.220 -0.950 11.634
220 HA ALA 25 HA ALA 25 -13.149 -0.338 8.825
221 1HB ALA 25 HB2 ALA 25 -14.721 -2.736 9.718
222 2HB ALA 25 HB1 ALA 25 -15.343 -1.733 8.407
223 3HB ALA 25 HB3 ALA 25 -13.768 -2.513 8.251
224 H ASP 26 HN ASP 26 -15.785 0.099 8.257
225 HA ASP 26 HA ASP 26 -17.594 1.514 8.740
226 1HB ASP 26 HB2 ASP 26 -17.118 0.027 11.123
227 2HB ASP 26 HB1 ASP 26 -17.417 1.700 11.596
228 H ALA 27 HN ALA 27 -17.979 3.747 9.368
229 HA ALA 27 HA ALA 27 -16.125 5.324 10.854
230 1HB ALA 27 HB1 ALA 27 -15.405 4.786 8.065
231 2HB ALA 27 HB3 ALA 27 -15.506 6.509 8.428
232 3HB ALA 27 HB2 ALA 27 -14.429 5.472 9.363
233 H HIS 28 HN HIS 28 -17.854 5.770 7.740
234 HA HIS 28 HA HIS 28 -19.418 7.427 7.143
235 1HB HIS 28 HB2 HIS 28 -20.312 6.089 9.599
236 2HB HIS 28 HB1 HIS 28 -21.016 7.690 9.382
237 HD1 HIS 28 HD1 HIS 28 -20.095 5.409 6.513
238 HD2 HIS 28 HD2 HIS 28 -23.520 6.815 8.431
239 HE1 HIS 28 HE1 HIS 28 -22.060 4.714 5.072
240 H MET 29 HN MET 29 -16.986 8.516 8.155
241 HA MET 29 HA MET 29 -17.974 11.134 9.015
242 1HB MET 29 HB2 MET 29 -17.223 9.298 11.005
243 2HB MET 29 HB1 MET 29 -15.844 10.384 10.839
244 1HG MET 29 HG2 MET 29 -16.978 12.140 11.721
245 2HG MET 29 HG1 MET 29 -18.436 11.769 10.802
246 1HE MET 29 HE1 MET 29 -16.102 10.006 12.976
247 2HE MET 29 HE3 MET 29 -16.937 9.572 14.474
248 3HE MET 29 HE2 MET 29 -17.159 8.597 13.023
249 H ALA 30 HN ALA 30 -15.146 9.038 8.475
250 HA ALA 30 HA ALA 30 -13.919 11.276 6.949
251 1HB ALA 30 HB3 ALA 30 -12.626 9.733 9.207
252 2HB ALA 30 HB2 ALA 30 -11.683 10.601 7.996
253 3HB ALA 30 HB1 ALA 30 -12.795 11.480 9.045
254 H ASN 31 HN ASN 31 -13.915 7.820 7.763
255 HA ASN 31 HA ASN 31 -13.340 5.956 6.458
256 1HB ASN 31 HB2 ASN 31 -13.789 7.914 4.183
257 2HB ASN 31 HB1 ASN 31 -13.741 6.156 4.042
258 1HD2 ASN 31 HD22 ASN 31 -17.316 7.363 4.428
259 2HD2 ASN 31 HD21 ASN 31 -16.065 7.820 3.376
260 H LYS 32 HN LYS 32 -11.191 5.542 6.839
261 HA LYS 32 HA LYS 32 -9.250 6.835 4.989
262 1HB LYS 32 HB2 LYS 32 -7.713 7.333 6.726
263 2HB LYS 32 HB1 LYS 32 -9.273 7.868 7.350
264 1HG LYS 32 HG2 LYS 32 -8.549 6.635 9.165
265 2HG LYS 32 HG1 LYS 32 -9.357 5.358 8.256
266 1HD LYS 32 HD2 LYS 32 -7.384 4.256 8.341
267 2HD LYS 32 HD1 LYS 32 -6.823 5.414 7.133
268 1HE LYS 32 HE2 LYS 32 -6.649 5.861 10.126
269 2HE LYS 32 HE1 LYS 32 -5.318 5.266 9.133
270 1HZ LYS 32 HZ2 LYS 32 -6.739 7.841 8.714
271 2HZ LYS 32 HZ1 LYS 32 -5.226 7.674 9.469
272 3HZ LYS 32 HZ3 LYS 32 -5.403 7.273 7.830
273 H LEU 33 HN LEU 33 -7.982 5.330 4.017
274 HA LEU 33 HA LEU 33 -8.072 2.544 5.016
275 1HB LEU 33 HB2 LEU 33 -7.230 3.818 2.411
276 2HB LEU 33 HB1 LEU 33 -6.894 2.150 2.783
277 HG LEU 33 HG LEU 33 -9.325 3.294 1.773
278 1HD1 LEU 33 HD11 LEU 33 -8.151 1.176 1.097
279 2HD1 LEU 33 HD13 LEU 33 -8.730 0.440 2.588
280 3HD1 LEU 33 HD12 LEU 33 -9.879 0.983 1.367
281 1HD2 LEU 33 HD23 LEU 33 -9.929 3.448 4.216
282 2HD2 LEU 33 HD22 LEU 33 -10.968 2.360 3.296
283 3HD2 LEU 33 HD21 LEU 33 -9.699 1.704 4.330
284 H GLU 34 HN GLU 34 -5.701 1.487 4.291
285 HA GLU 34 HA GLU 34 -3.725 3.190 5.660
286 1HB GLU 34 HB2 GLU 34 -3.926 0.181 5.614
287 2HB GLU 34 HB1 GLU 34 -2.776 1.135 6.516
288 1HG GLU 34 HG2 GLU 34 -5.754 1.419 6.886
289 2HG GLU 34 HG1 GLU 34 -4.769 0.330 7.864
290 H PHE 35 HN PHE 35 -1.438 2.387 5.114
291 HA PHE 35 HA PHE 35 -1.016 1.160 2.524
292 1HB PHE 35 HB2 PHE 35 -1.137 4.073 2.757
293 2HB PHE 35 HB1 PHE 35 0.388 3.515 2.095
294 HD1 PHE 35 HD1 PHE 35 -1.769 0.969 1.120
295 HD2 PHE 35 HD2 PHE 35 -1.018 5.131 0.336
296 HE1 PHE 35 HE1 PHE 35 -2.828 0.745 -1.095
297 HE2 PHE 35 HE2 PHE 35 -2.085 4.894 -1.885
298 HZ PHE 35 HZ PHE 35 -2.991 2.703 -2.601
299 HA PRO 36 HA PRO 36 3.264 2.668 4.330
300 1HB PRO 36 HB2 PRO 36 2.479 3.296 7.076
301 2HB PRO 36 HB1 PRO 36 3.477 4.238 5.960
302 1HG PRO 36 HG2 PRO 36 0.745 4.748 6.675
303 2HG PRO 36 HG1 PRO 36 1.718 5.615 5.476
304 1HD PRO 36 HD2 PRO 36 -0.499 3.895 4.956
305 2HD PRO 36 HD1 PRO 36 0.589 4.620 3.758
306 H GLY 37 HN GLY 37 4.512 1.123 5.441
307 1HA GLY 37 HA2 GLY 37 2.929 -1.091 6.666
308 2HA GLY 37 HA1 GLY 37 4.377 -1.349 5.700
309 H GLY 38 HN GLY 38 6.391 -0.752 6.602
310 1HA GLY 38 HA2 GLY 38 6.500 0.061 9.435
311 2HA GLY 38 HA1 GLY 38 7.116 -1.553 9.074
312 H LYS 39 HN LYS 39 7.362 1.608 7.428
313 HA LYS 39 HA LYS 39 9.244 2.787 6.696
314 1HB LYS 39 HB2 LYS 39 9.975 1.602 9.195
315 2HB LYS 39 HB1 LYS 39 11.353 1.466 8.101
316 1HG LYS 39 HG2 LYS 39 11.728 3.595 8.911
317 2HG LYS 39 HG1 LYS 39 10.687 3.991 7.544
318 1HD LYS 39 HD2 LYS 39 8.873 4.476 8.884
319 2HD LYS 39 HD1 LYS 39 9.363 3.335 10.137
320 1HE LYS 39 HE2 LYS 39 11.099 4.827 10.913
321 2HE LYS 39 HE1 LYS 39 10.834 5.919 9.554
322 1HZ LYS 39 HZ1 LYS 39 8.595 6.330 10.374
323 2HZ LYS 39 HZ3 LYS 39 8.866 5.296 11.689
324 3HZ LYS 39 HZ2 LYS 39 9.755 6.737 11.546
325 H ILE 40 HN ILE 40 11.549 2.299 5.720
326 HA ILE 40 HA ILE 40 11.711 -0.423 4.563
327 HB ILE 40 HB ILE 40 10.272 0.777 3.011
328 1HG1 ILE 40 HG12 ILE 40 13.144 0.463 2.104
329 2HG1 ILE 40 HG11 ILE 40 11.813 -0.676 1.887
330 1HG2 ILE 40 HG22 ILE 40 11.706 3.002 3.866
331 2HG2 ILE 40 HG21 ILE 40 12.209 2.799 2.188
332 3HG2 ILE 40 HG23 ILE 40 10.499 2.980 2.580
333 1HD1 ILE 40 HD12 ILE 40 10.760 1.513 0.679
334 2HD1 ILE 40 HD11 ILE 40 12.472 1.775 0.348
335 3HD1 ILE 40 HD13 ILE 40 11.688 0.289 -0.186
336 H GLU 41 HN GLU 41 13.694 -0.299 5.978
337 HA GLU 41 HA GLU 41 15.945 0.793 4.409
338 1HB GLU 41 HB2 GLU 41 16.231 1.397 7.277
339 2HB GLU 41 HB1 GLU 41 16.636 2.384 5.873
340 1HG GLU 41 HG2 GLU 41 14.257 2.955 5.581
341 2HG GLU 41 HG1 GLU 41 13.849 1.956 6.975
342 H MET 42 HN MET 42 17.909 -0.243 4.859
343 HA MET 42 HA MET 42 18.673 -1.857 6.965
344 1HB MET 42 HB2 MET 42 18.063 -4.169 6.063
345 2HB MET 42 HB1 MET 42 16.738 -3.255 6.782
346 1HG MET 42 HG2 MET 42 16.350 -2.386 4.348
347 2HG MET 42 HG1 MET 42 17.300 -3.794 3.877
348 1HE MET 42 HE2 MET 42 14.427 -2.412 3.831
349 2HE MET 42 HE1 MET 42 13.941 -3.838 2.917
350 3HE MET 42 HE3 MET 42 13.091 -3.406 4.406
351 H GLY 43 HN GLY 43 18.448 -1.604 3.464
352 1HA GLY 43 HA2 GLY 43 20.847 -1.162 2.539
353 2HA GLY 43 HA1 GLY 43 21.180 -2.749 3.216
354 H GLU 44 HN GLU 44 18.199 -1.792 1.649
355 HA GLU 44 HA GLU 44 18.875 -3.592 -0.633
356 1HB GLU 44 HB2 GLU 44 16.214 -3.488 0.819
357 2HB GLU 44 HB1 GLU 44 16.613 -4.523 -0.551
358 1HG GLU 44 HG2 GLU 44 18.459 -5.531 0.826
359 2HG GLU 44 HG1 GLU 44 17.865 -4.605 2.205
360 H THR 45 HN THR 45 16.088 -3.155 -1.661
361 HA THR 45 HA THR 45 16.124 -0.254 -2.268
362 HB THR 45 HB THR 45 15.572 -1.743 -4.678
363 HG1 THR 45 HG1 THR 45 16.951 -3.286 -3.702
364 1HG2 THR 45 HG21 THR 45 16.785 0.645 -3.850
365 2HG2 THR 45 HG23 THR 45 18.078 -0.273 -4.624
366 3HG2 THR 45 HG22 THR 45 16.595 0.086 -5.512
367 HA PRO 46 HA PRO 46 11.768 -0.578 -2.433
368 1HB PRO 46 HB2 PRO 46 11.184 0.165 -5.132
369 2HB PRO 46 HB1 PRO 46 11.221 1.219 -3.712
370 1HG PRO 46 HG2 PRO 46 13.101 1.159 -5.891
371 2HG PRO 46 HG1 PRO 46 13.154 2.181 -4.451
372 1HD PRO 46 HD2 PRO 46 14.775 -0.138 -5.079
373 2HD PRO 46 HD1 PRO 46 14.943 0.987 -3.716
374 H GLU 47 HN GLU 47 13.568 -2.599 -4.425
375 HA GLU 47 HA GLU 47 11.158 -4.111 -5.326
376 1HB GLU 47 HB2 GLU 47 13.810 -3.579 -6.455
377 2HB GLU 47 HB1 GLU 47 13.384 -5.286 -6.486
378 1HG GLU 47 HG2 GLU 47 12.470 -4.501 -8.502
379 2HG GLU 47 HG1 GLU 47 11.086 -4.447 -7.408
380 H GLN 48 HN GLN 48 14.350 -4.496 -3.822
381 HA GLN 48 HA GLN 48 13.937 -7.243 -3.084
382 1HB GLN 48 HB2 GLN 48 16.068 -5.378 -3.134
383 2HB GLN 48 HB1 GLN 48 15.901 -5.938 -1.469
384 1HG GLN 48 HG2 GLN 48 15.774 -8.284 -2.411
385 2HG GLN 48 HG1 GLN 48 16.301 -7.594 -3.946
386 1HE2 GLN 48 HE22 GLN 48 19.641 -7.994 -2.879
387 2HE2 GLN 48 HE21 GLN 48 18.475 -8.300 -4.074
388 H ALA 49 HN ALA 49 14.197 -4.261 -1.299
389 HA ALA 49 HA ALA 49 13.710 -4.967 1.275
390 1HB ALA 49 HB2 ALA 49 13.816 -2.597 0.239
391 2HB ALA 49 HB1 ALA 49 12.062 -2.732 0.111
392 3HB ALA 49 HB3 ALA 49 12.840 -2.816 1.692
393 H VAL 50 HN VAL 50 11.033 -4.398 -1.047
394 HA VAL 50 HA VAL 50 9.064 -5.504 0.784
395 HB VAL 50 HB VAL 50 8.700 -3.789 -1.075
396 1HG1 VAL 50 HG13 VAL 50 9.871 -5.156 -2.819
397 2HG1 VAL 50 HG12 VAL 50 8.523 -6.292 -2.752
398 3HG1 VAL 50 HG11 VAL 50 8.255 -4.637 -3.298
399 1HG2 VAL 50 HG22 VAL 50 6.874 -4.908 0.170
400 2HG2 VAL 50 HG21 VAL 50 6.437 -4.532 -1.498
401 3HG2 VAL 50 HG23 VAL 50 6.874 -6.182 -1.053
402 H VAL 51 HN VAL 51 11.024 -6.684 -1.876
403 HA VAL 51 HA VAL 51 9.764 -9.033 -2.617
404 HB VAL 51 HB VAL 51 12.265 -7.942 -2.982
405 1HG1 VAL 51 HG13 VAL 51 12.575 -10.477 -1.369
406 2HG1 VAL 51 HG12 VAL 51 13.797 -9.942 -2.519
407 3HG1 VAL 51 HG11 VAL 51 13.391 -8.932 -1.139
408 1HG2 VAL 51 HG21 VAL 51 10.623 -9.837 -4.114
409 2HG2 VAL 51 HG23 VAL 51 12.131 -9.225 -4.794
410 3HG2 VAL 51 HG22 VAL 51 12.134 -10.705 -3.832
411 H ARG 52 HN ARG 52 12.055 -8.759 0.074
412 HA ARG 52 HA ARG 52 11.460 -11.295 1.184
413 1HB ARG 52 HB2 ARG 52 13.413 -10.680 2.113
414 2HB ARG 52 HB1 ARG 52 13.187 -9.020 1.622
415 1HG ARG 52 HG2 ARG 52 12.035 -8.456 3.585
416 2HG ARG 52 HG1 ARG 52 11.781 -10.143 4.040
417 1HD ARG 52 HD2 ARG 52 14.534 -8.908 3.805
418 2HD ARG 52 HD1 ARG 52 13.629 -8.931 5.318
419 HE ARG 52 HE ARG 52 15.188 -11.052 4.582
420 1HH1 ARG 52 HH21 ARG 52 12.626 -10.858 6.496
421 2HH1 ARG 52 HH22 ARG 52 11.899 -12.378 6.098
422 1HH2 ARG 52 HH11 ARG 52 13.893 -12.909 3.313
423 2HH2 ARG 52 HH12 ARG 52 12.615 -13.539 4.299
424 H GLU 53 HN GLU 53 10.042 -8.057 1.511
425 HA GLU 53 HA GLU 53 8.650 -8.452 3.964
426 1HB GLU 53 HB2 GLU 53 8.010 -6.848 1.487
427 2HB GLU 53 HB1 GLU 53 6.891 -6.904 2.847
428 1HG GLU 53 HG2 GLU 53 9.266 -6.420 4.126
429 2HG GLU 53 HG1 GLU 53 9.499 -5.540 2.616
430 H LEU 54 HN LEU 54 8.299 -9.958 0.901
431 HA LEU 54 HA LEU 54 5.538 -10.732 1.127
432 1HB LEU 54 HB2 LEU 54 7.885 -11.629 -0.506
433 2HB LEU 54 HB1 LEU 54 6.459 -12.663 -0.440
434 HG LEU 54 HG LEU 54 6.403 -9.723 -1.173
435 1HD1 LEU 54 HD11 LEU 54 6.472 -12.233 -2.853
436 2HD1 LEU 54 HD13 LEU 54 5.850 -10.704 -3.474
437 3HD1 LEU 54 HD12 LEU 54 7.531 -10.827 -2.955
438 1HD2 LEU 54 HD23 LEU 54 4.382 -11.700 -0.507
439 2HD2 LEU 54 HD22 LEU 54 4.187 -9.972 -0.806
440 3HD2 LEU 54 HD21 LEU 54 4.159 -11.109 -2.154
441 H GLN 55 HN GLN 55 8.607 -12.279 2.043
442 HA GLN 55 HA GLN 55 7.240 -14.619 3.146
443 1HB GLN 55 HB2 GLN 55 10.125 -13.758 3.500
444 2HB GLN 55 HB1 GLN 55 9.460 -15.366 3.788
445 1HG GLN 55 HG2 GLN 55 8.662 -14.782 1.187
446 2HG GLN 55 HG1 GLN 55 10.300 -14.136 1.277
447 1HE2 GLN 55 HE22 GLN 55 9.713 -18.181 1.636
448 2HE2 GLN 55 HE21 GLN 55 8.398 -17.124 1.820
449 H GLU 56 HN GLU 56 8.874 -11.732 4.480
450 HA GLU 56 HA GLU 56 8.348 -12.596 7.225
451 1HB GLU 56 HB2 GLU 56 9.337 -10.459 7.874
452 2HB GLU 56 HB1 GLU 56 10.333 -11.230 6.640
453 1HG GLU 56 HG2 GLU 56 9.527 -9.781 4.935
454 2HG GLU 56 HG1 GLU 56 8.193 -9.215 5.942
455 H GLU 57 HN GLU 57 5.932 -12.389 5.647
456 HA GLU 57 HA GLU 57 4.479 -10.476 7.374
457 1HB GLU 57 HB2 GLU 57 4.468 -10.423 4.350
458 2HB GLU 57 HB1 GLU 57 3.153 -9.739 5.305
459 1HG GLU 57 HG2 GLU 57 6.044 -8.975 5.754
460 2HG GLU 57 HG1 GLU 57 5.002 -8.110 4.623
461 H VAL 58 HN VAL 58 4.020 -12.705 4.624
462 HA VAL 58 HA VAL 58 2.080 -14.253 6.256
463 HB VAL 58 HB VAL 58 0.300 -14.076 4.714
464 1HG1 VAL 58 HG13 VAL 58 1.776 -11.466 4.870
465 2HG1 VAL 58 HG12 VAL 58 0.184 -11.596 4.125
466 3HG1 VAL 58 HG11 VAL 58 0.396 -11.999 5.829
467 1HG2 VAL 58 HG23 VAL 58 2.487 -13.451 2.791
468 2HG2 VAL 58 HG22 VAL 58 1.091 -14.507 2.595
469 3HG2 VAL 58 HG21 VAL 58 0.906 -12.760 2.460
470 H GLY 59 HN GLY 59 4.123 -13.985 3.400
471 1HA GLY 59 HA2 GLY 59 5.486 -15.656 2.474
472 2HA GLY 59 HA1 GLY 59 4.695 -16.839 3.518
473 H ILE 60 HN ILE 60 3.707 -14.599 0.916
474 HA ILE 60 HA ILE 60 1.845 -16.685 -0.092
475 HB ILE 60 HB ILE 60 1.575 -14.578 -1.830
476 1HG1 ILE 60 HG12 ILE 60 2.273 -13.433 0.882
477 2HG1 ILE 60 HG11 ILE 60 3.083 -13.100 -0.638
478 1HG2 ILE 60 HG23 ILE 60 -0.213 -15.778 -0.649
479 2HG2 ILE 60 HG22 ILE 60 0.159 -14.892 0.824
480 3HG2 ILE 60 HG21 ILE 60 -0.457 -14.037 -0.591
481 1HD1 ILE 60 HD12 ILE 60 0.281 -12.608 -0.968
482 2HD1 ILE 60 HD11 ILE 60 0.848 -11.743 0.460
483 3HD1 ILE 60 HD13 ILE 60 1.620 -11.468 -1.101
484 H THR 61 HN THR 61 1.823 -17.012 -2.497
485 HA THR 61 HA THR 61 4.603 -16.847 -3.581
486 HB THR 61 HB THR 61 2.423 -18.818 -4.339
487 HG1 THR 61 HG1 THR 61 3.896 -20.300 -3.368
488 1HG2 THR 61 HG21 THR 61 5.105 -18.082 -5.411
489 2HG2 THR 61 HG23 THR 61 4.663 -19.788 -5.424
490 3HG2 THR 61 HG22 THR 61 3.660 -18.611 -6.271
491 HA PRO 62 HA PRO 62 1.968 -13.834 -5.763
492 1HB PRO 62 HB2 PRO 62 4.334 -12.454 -6.510
493 2HB PRO 62 HB1 PRO 62 3.175 -12.020 -5.241
494 1HG PRO 62 HG2 PRO 62 5.862 -13.153 -4.943
495 2HG PRO 62 HG1 PRO 62 4.813 -12.445 -3.715
496 1HD PRO 62 HD2 PRO 62 5.383 -15.187 -4.028
497 2HD PRO 62 HD1 PRO 62 4.124 -14.474 -2.999
498 H GLN 63 HN GLN 63 1.332 -14.553 -7.713
499 HA GLN 63 HA GLN 63 3.157 -16.004 -9.462
500 1HB GLN 63 HB2 GLN 63 0.463 -15.072 -10.367
501 2HB GLN 63 HB1 GLN 63 1.264 -16.613 -10.654
502 1HG GLN 63 HG2 GLN 63 1.000 -16.564 -7.892
503 2HG GLN 63 HG1 GLN 63 -0.499 -15.815 -8.444
504 1HE2 GLN 63 HE22 GLN 63 -1.397 -19.334 -8.566
505 2HE2 GLN 63 HE21 GLN 63 -1.307 -18.036 -7.475
506 H HIS 64 HN HIS 64 1.890 -12.723 -9.219
507 HA HIS 64 HA HIS 64 3.891 -11.765 -11.071
508 1HB HIS 64 HB2 HIS 64 2.124 -12.842 -12.570
509 2HB HIS 64 HB1 HIS 64 1.058 -11.526 -12.082
510 HD1 HIS 64 HD1 HIS 64 1.566 -11.349 -14.937
511 HD2 HIS 64 HD2 HIS 64 4.358 -9.849 -12.230
512 HE1 HIS 64 HE1 HIS 64 2.982 -9.688 -16.218
513 H PHE 65 HN PHE 65 4.395 -9.841 -10.126
514 HA PHE 65 HA PHE 65 2.132 -8.060 -9.338
515 1HB PHE 65 HB2 PHE 65 3.655 -7.189 -7.503
516 2HB PHE 65 HB1 PHE 65 2.998 -8.791 -7.246
517 HD1 PHE 65 HD1 PHE 65 5.989 -7.005 -8.573
518 HD2 PHE 65 HD2 PHE 65 4.438 -10.633 -6.876
519 HE1 PHE 65 HE1 PHE 65 8.294 -7.894 -8.369
520 HE2 PHE 65 HE2 PHE 65 6.746 -11.524 -6.675
521 HZ PHE 65 HZ PHE 65 8.674 -10.149 -7.417
522 H SER 66 HN SER 66 2.986 -5.754 -9.051
523 HA SER 66 HA SER 66 5.376 -5.044 -10.572
524 1HB SER 66 HB2 SER 66 2.995 -5.432 -12.037
525 2HB SER 66 HB1 SER 66 3.212 -3.688 -11.919
526 HG SER 66 HG SER 66 5.568 -4.486 -12.423
527 H LEU 67 HN LEU 67 5.686 -2.668 -10.653
528 HA LEU 67 HA LEU 67 4.180 -1.312 -8.457
529 1HB LEU 67 HB2 LEU 67 6.593 -1.521 -8.003
530 2HB LEU 67 HB1 LEU 67 6.959 -0.741 -9.542
531 HG LEU 67 HG LEU 67 5.571 1.240 -8.701
532 1HD1 LEU 67 HD11 LEU 67 5.669 -0.512 -6.266
533 2HD1 LEU 67 HD13 LEU 67 5.724 1.238 -6.057
534 3HD1 LEU 67 HD12 LEU 67 4.349 0.489 -6.868
535 1HD2 LEU 67 HD22 LEU 67 8.266 0.361 -7.939
536 2HD2 LEU 67 HD21 LEU 67 7.729 1.922 -8.561
537 3HD2 LEU 67 HD23 LEU 67 7.594 1.564 -6.839
538 H PHE 68 HN PHE 68 2.592 -0.103 -9.402
539 HA PHE 68 HA PHE 68 2.739 0.838 -12.100
540 1HB PHE 68 HB2 PHE 68 0.619 1.781 -11.671
541 2HB PHE 68 HB1 PHE 68 0.678 0.313 -10.735
542 HD1 PHE 68 HD1 PHE 68 1.099 0.420 -8.273
543 HD2 PHE 68 HD2 PHE 68 0.368 3.916 -10.657
544 HE1 PHE 68 HE1 PHE 68 0.586 1.713 -6.219
545 HE2 PHE 68 HE2 PHE 68 -0.144 5.210 -8.604
546 HZ PHE 68 HZ PHE 68 -0.036 4.106 -6.387
547 H GLU 69 HN GLU 69 2.756 2.672 -9.052
548 HA GLU 69 HA GLU 69 4.833 4.461 -9.945
549 1HB GLU 69 HB2 GLU 69 2.756 5.137 -11.334
550 2HB GLU 69 HB1 GLU 69 2.122 5.778 -9.817
551 1HG GLU 69 HG2 GLU 69 3.257 7.663 -10.389
552 2HG GLU 69 HG1 GLU 69 4.672 6.785 -9.810
553 H LYS 70 HN LYS 70 5.553 5.763 -8.232
554 HA LYS 70 HA LYS 70 4.135 5.357 -5.661
555 1HB LYS 70 HB2 LYS 70 6.259 5.388 -4.660
556 2HB LYS 70 HB1 LYS 70 6.504 4.460 -6.119
557 1HG LYS 70 HG2 LYS 70 7.451 6.388 -7.247
558 2HG LYS 70 HG1 LYS 70 7.064 7.431 -5.877
559 1HD LYS 70 HD2 LYS 70 9.082 6.941 -5.015
560 2HD LYS 70 HD1 LYS 70 8.523 5.282 -4.800
561 1HE LYS 70 HE2 LYS 70 10.144 4.690 -6.260
562 2HE LYS 70 HE1 LYS 70 9.128 5.408 -7.507
563 1HZ LYS 70 HZ3 LYS 70 10.352 7.556 -6.438
564 2HZ LYS 70 HZ2 LYS 70 11.575 6.382 -6.344
565 3HZ LYS 70 HZ1 LYS 70 10.861 6.751 -7.841
566 H LEU 71 HN LEU 71 4.186 7.179 -4.144
567 HA LEU 71 HA LEU 71 4.377 9.826 -5.528
568 1HB LEU 71 HB2 LEU 71 2.850 10.531 -3.520
569 2HB LEU 71 HB1 LEU 71 2.126 9.668 -4.872
570 HG LEU 71 HG LEU 71 2.442 7.528 -3.613
571 1HD1 LEU 71 HD11 LEU 71 3.388 9.466 -1.487
572 2HD1 LEU 71 HD13 LEU 71 2.857 7.826 -1.119
573 3HD1 LEU 71 HD12 LEU 71 4.263 8.085 -2.151
574 1HD2 LEU 71 HD21 LEU 71 0.510 9.522 -3.269
575 2HD2 LEU 71 HD23 LEU 71 0.360 7.831 -2.792
576 3HD2 LEU 71 HD22 LEU 71 0.926 9.029 -1.628
577 H GLU 72 HN GLU 72 4.412 11.438 -3.212
578 HA GLU 72 HA GLU 72 6.628 10.402 -1.549
579 1HB GLU 72 HB2 GLU 72 8.064 12.341 -2.026
580 2HB GLU 72 HB1 GLU 72 7.738 11.430 -3.502
581 1HG GLU 72 HG2 GLU 72 5.636 13.326 -3.200
582 2HG GLU 72 HG1 GLU 72 7.157 14.185 -2.948
583 H TYR 73 HN TYR 73 6.491 11.169 0.513
584 HA TYR 73 HA TYR 73 4.409 13.216 1.076
585 1HB TYR 73 HB2 TYR 73 5.071 10.826 2.333
586 2HB TYR 73 HB1 TYR 73 5.789 12.047 3.381
587 HD1 TYR 73 HD1 TYR 73 4.248 14.137 3.904
588 HD2 TYR 73 HD2 TYR 73 2.809 10.308 2.590
589 HE1 TYR 73 HE1 TYR 73 2.008 14.660 4.833
590 HE2 TYR 73 HE2 TYR 73 0.568 10.833 3.518
591 HH TYR 73 HH TYR 73 -0.059 13.943 5.156
592 H GLU 74 HN GLU 74 5.126 15.287 1.256
593 HA GLU 74 HA GLU 74 7.945 15.723 2.168
594 1HB GLU 74 HB2 GLU 74 7.219 16.539 -0.148
595 2HB GLU 74 HB1 GLU 74 6.195 17.706 0.690
596 1HG GLU 74 HG2 GLU 74 8.610 18.003 1.991
597 2HG GLU 74 HG1 GLU 74 9.110 17.699 0.326
598 H PHE 75 HN PHE 75 7.705 15.909 4.366
599 HA PHE 75 HA PHE 75 5.525 17.430 5.560
600 1HB PHE 75 HB2 PHE 75 7.854 15.821 6.455
601 2HB PHE 75 HB1 PHE 75 7.307 17.067 7.563
602 HD1 PHE 75 HD2 PHE 75 4.635 17.168 7.857
603 HD2 PHE 75 HD1 PHE 75 6.863 13.732 6.566
604 HE1 PHE 75 HE2 PHE 75 2.762 15.695 8.542
605 HE2 PHE 75 HE1 PHE 75 4.991 12.259 7.250
606 HZ PHE 75 HZ PHE 75 2.939 13.240 8.238
607 HA PRO 76 HA PRO 76 7.339 21.399 5.809
608 1HB PRO 76 HB2 PRO 76 7.334 21.729 8.660
609 2HB PRO 76 HB1 PRO 76 6.153 22.339 7.495
610 1HG PRO 76 HG2 PRO 76 5.810 20.187 9.383
611 2HG PRO 76 HG1 PRO 76 4.634 20.800 8.213
612 1HD PRO 76 HD2 PRO 76 6.097 18.317 8.118
613 2HD PRO 76 HD1 PRO 76 4.901 18.922 6.956
614 H ASP 77 HN ASP 77 8.980 18.771 7.137
615 HA ASP 77 HA ASP 77 11.425 20.391 7.295
616 1HB ASP 77 HB2 ASP 77 10.248 19.864 9.600
617 2HB ASP 77 HB1 ASP 77 11.047 18.305 9.392
618 H ARG 78 HN ARG 78 9.944 17.334 6.599
619 HA ARG 78 HA ARG 78 12.602 16.328 5.755
620 1HB ARG 78 HB2 ARG 78 10.988 14.101 6.167
621 2HB ARG 78 HB1 ARG 78 12.266 14.677 7.222
622 1HG ARG 78 HG2 ARG 78 10.625 16.092 8.423
623 2HG ARG 78 HG1 ARG 78 9.348 15.432 7.406
624 1HD ARG 78 HD2 ARG 78 9.457 13.331 8.388
625 2HD ARG 78 HD1 ARG 78 11.140 13.536 8.877
626 HE ARG 78 HE ARG 78 9.787 15.434 10.371
627 1HH1 ARG 78 HH21 ARG 78 8.083 12.707 9.672
628 2HH1 ARG 78 HH22 ARG 78 8.042 12.068 11.282
629 1HH2 ARG 78 HH11 ARG 78 10.345 14.342 12.527
630 2HH2 ARG 78 HH12 ARG 78 9.322 12.995 12.899
631 H HIS 79 HN HIS 79 12.473 14.722 3.980
632 HA HIS 79 HA HIS 79 10.095 15.146 2.214
633 1HB HIS 79 HB2 HIS 79 12.820 14.725 1.035
634 2HB HIS 79 HB1 HIS 79 11.441 15.602 0.372
635 HD1 HIS 79 HD1 HIS 79 14.616 16.457 1.299
636 HD2 HIS 79 HD2 HIS 79 10.931 17.817 2.691
637 HE1 HIS 79 HE1 HIS 79 15.043 18.713 2.369
638 H ILE 80 HN ILE 80 9.520 13.039 3.334
639 HA ILE 80 HA ILE 80 11.116 10.690 2.759
640 HB ILE 80 HB ILE 80 9.452 9.541 3.984
641 1HG1 ILE 80 HG12 ILE 80 7.371 11.408 4.399
642 2HG1 ILE 80 HG11 ILE 80 7.689 11.401 2.665
643 1HG2 ILE 80 HG23 ILE 80 10.745 11.552 5.097
644 2HG2 ILE 80 HG22 ILE 80 9.128 12.246 5.212
645 3HG2 ILE 80 HG21 ILE 80 9.484 10.705 5.991
646 1HD1 ILE 80 HD12 ILE 80 7.706 8.707 3.785
647 2HD1 ILE 80 HD11 ILE 80 6.168 9.527 4.057
648 3HD1 ILE 80 HD13 ILE 80 6.791 9.344 2.418
649 H THR 81 HN THR 81 9.524 8.751 1.898
650 HA THR 81 HA THR 81 7.980 9.627 -0.459
651 HB THR 81 HB THR 81 10.207 7.641 -0.880
652 HG1 THR 81 HG1 THR 81 11.605 9.190 -0.975
653 1HG2 THR 81 HG22 THR 81 8.256 9.165 -2.519
654 2HG2 THR 81 HG21 THR 81 9.869 8.969 -3.205
655 3HG2 THR 81 HG23 THR 81 8.917 7.549 -2.768
656 H LEU 82 HN LEU 82 6.652 7.887 -1.302
657 HA LEU 82 HA LEU 82 6.589 5.447 0.427
658 1HB LEU 82 HB2 LEU 82 4.625 7.493 0.285
659 2HB LEU 82 HB1 LEU 82 3.964 6.094 -0.561
660 HG LEU 82 HG LEU 82 5.243 5.079 1.743
661 1HD1 LEU 82 HD11 LEU 82 4.016 7.743 2.153
662 2HD1 LEU 82 HD13 LEU 82 3.509 6.495 3.291
663 3HD1 LEU 82 HD12 LEU 82 5.219 6.895 3.126
664 1HD2 LEU 82 HD21 LEU 82 2.555 5.261 0.553
665 2HD2 LEU 82 HD23 LEU 82 3.363 3.880 1.293
666 3HD2 LEU 82 HD22 LEU 82 2.545 5.069 2.307
667 H TRP 83 HN TRP 83 6.136 3.517 -0.691
668 HA TRP 83 HA TRP 83 5.615 3.775 -3.617
669 1HB TRP 83 HB2 TRP 83 7.243 1.458 -3.089
670 2HB TRP 83 HB1 TRP 83 7.569 2.804 -4.174
671 HD1 TRP 83 HD1 TRP 83 7.576 2.427 -0.306
672 HE1 TRP 83 HE1 TRP 83 9.749 3.494 0.584
673 HE3 TRP 83 HE3 TRP 83 9.728 3.874 -4.705
674 HZ2 TRP 83 HZ2 TRP 83 12.078 4.780 -0.448
675 HZ3 TRP 83 HZ3 TRP 83 11.940 5.013 -4.710
676 HH2 TRP 83 HH2 TRP 83 13.111 5.463 -2.583
677 H PHE 84 HN PHE 84 3.969 2.476 -4.274
678 HA PHE 84 HA PHE 84 3.254 0.151 -2.529
679 1HB PHE 84 HB2 PHE 84 1.053 1.148 -4.179
680 2HB PHE 84 HB1 PHE 84 1.078 0.774 -2.460
681 HD1 PHE 84 HD1 PHE 84 2.396 3.369 -4.844
682 HD2 PHE 84 HD2 PHE 84 0.795 2.513 -0.951
683 HE1 PHE 84 HE1 PHE 84 2.374 5.793 -4.319
684 HE2 PHE 84 HE2 PHE 84 0.778 4.934 -0.426
685 HZ PHE 84 HZ PHE 84 1.559 6.569 -2.109
686 H TRP 85 HN TRP 85 4.175 -1.497 -3.739
687 HA TRP 85 HA TRP 85 4.034 -1.450 -6.654
688 1HB TRP 85 HB2 TRP 85 5.258 -3.534 -6.579
689 2HB TRP 85 HB1 TRP 85 5.960 -2.436 -5.397
690 HD1 TRP 85 HD1 TRP 85 3.300 -3.070 -3.386
691 HE1 TRP 85 HE1 TRP 85 3.489 -5.203 -1.952
692 HE3 TRP 85 HE3 TRP 85 6.933 -5.553 -5.977
693 HZ2 TRP 85 HZ2 TRP 85 4.987 -7.646 -1.911
694 HZ3 TRP 85 HZ3 TRP 85 7.722 -7.777 -5.222
695 HH2 TRP 85 HH2 TRP 85 6.755 -8.827 -3.194
696 H LEU 86 HN LEU 86 1.730 -1.382 -6.939
697 HA LEU 86 HA LEU 86 -0.158 -3.224 -5.970
698 1HB LEU 86 HB2 LEU 86 -0.149 -1.172 -7.843
699 2HB LEU 86 HB1 LEU 86 -0.535 -2.597 -8.806
700 HG LEU 86 HG LEU 86 -2.349 -3.171 -7.239
701 1HD1 LEU 86 HD13 LEU 86 -0.990 -1.722 -5.404
702 2HD1 LEU 86 HD12 LEU 86 -2.177 -0.521 -5.904
703 3HD1 LEU 86 HD11 LEU 86 -2.711 -2.073 -5.261
704 1HD2 LEU 86 HD23 LEU 86 -2.213 -0.768 -8.877
705 2HD2 LEU 86 HD22 LEU 86 -3.526 -1.933 -8.717
706 3HD2 LEU 86 HD21 LEU 86 -3.390 -0.594 -7.576
707 H VAL 87 HN VAL 87 0.011 -5.414 -6.032
708 HA VAL 87 HA VAL 87 1.548 -6.716 -8.167
709 HB VAL 87 HB VAL 87 1.211 -8.714 -6.890
710 1HG1 VAL 87 HG12 VAL 87 1.981 -6.220 -5.537
711 2HG1 VAL 87 HG11 VAL 87 1.588 -7.554 -4.452
712 3HG1 VAL 87 HG13 VAL 87 2.857 -7.746 -5.661
713 1HG2 VAL 87 HG23 VAL 87 -1.186 -7.332 -6.072
714 2HG2 VAL 87 HG22 VAL 87 -0.812 -9.053 -5.982
715 3HG2 VAL 87 HG21 VAL 87 -0.318 -7.972 -4.677
716 H GLU 88 HN GLU 88 0.068 -9.081 -8.504
717 HA GLU 88 HA GLU 88 -2.539 -8.153 -9.608
718 1HB GLU 88 HB2 GLU 88 -0.423 -9.708 -11.118
719 2HB GLU 88 HB1 GLU 88 -2.071 -9.453 -11.692
720 1HG GLU 88 HG2 GLU 88 -1.624 -6.945 -11.373
721 2HG GLU 88 HG1 GLU 88 0.078 -7.383 -11.225
722 H ARG 89 HN ARG 89 -0.517 -10.842 -8.496
723 HA ARG 89 HA ARG 89 -2.895 -12.233 -7.575
724 1HB ARG 89 HB2 ARG 89 -1.944 -14.360 -8.943
725 2HB ARG 89 HB1 ARG 89 -3.233 -13.324 -9.548
726 1HG ARG 89 HG2 ARG 89 -0.627 -12.198 -10.178
727 2HG ARG 89 HG1 ARG 89 -0.774 -13.838 -10.791
728 1HD ARG 89 HD2 ARG 89 -3.243 -12.709 -11.381
729 2HD ARG 89 HD1 ARG 89 -2.094 -11.413 -11.713
730 HE ARG 89 HE ARG 89 -0.950 -13.631 -12.916
731 1HH1 ARG 89 HH21 ARG 89 -3.581 -14.796 -13.403
732 2HH1 ARG 89 HH22 ARG 89 -4.098 -14.035 -14.871
733 1HH2 ARG 89 HH11 ARG 89 -1.789 -11.457 -14.657
734 2HH2 ARG 89 HH12 ARG 89 -3.083 -12.144 -15.580
735 H TRP 90 HN TRP 90 -2.158 -14.527 -6.698
736 HA TRP 90 HA TRP 90 0.578 -14.981 -6.035
737 1HB TRP 90 HB2 TRP 90 0.667 -14.269 -3.715
738 2HB TRP 90 HB1 TRP 90 0.263 -12.876 -4.709
739 HD1 TRP 90 HD1 TRP 90 -1.192 -15.227 -2.108
740 HE1 TRP 90 HE1 TRP 90 -3.477 -14.311 -1.306
741 HE3 TRP 90 HE3 TRP 90 -1.813 -11.450 -5.471
742 HZ2 TRP 90 HZ2 TRP 90 -5.324 -12.255 -2.047
743 HZ3 TRP 90 HZ3 TRP 90 -3.830 -10.035 -5.396
744 HH2 TRP 90 HH2 TRP 90 -5.592 -10.425 -3.699
745 H GLU 91 HN GLU 91 0.460 -16.128 -3.614
746 HA GLU 91 HA GLU 91 -1.867 -17.966 -3.613
747 1HB GLU 91 HB2 GLU 91 0.293 -18.731 -4.893
748 2HB GLU 91 HB1 GLU 91 0.908 -19.015 -3.267
749 1HG GLU 91 HG2 GLU 91 -0.811 -20.555 -2.763
750 2HG GLU 91 HG1 GLU 91 -1.778 -20.044 -4.146
751 H GLY 92 HN GLY 92 -2.573 -17.137 -1.567
752 1HA GLY 92 HA2 GLY 92 -1.979 -18.186 0.808
753 2HA GLY 92 HA1 GLY 92 -0.591 -17.112 0.647
754 H GLU 93 HN GLU 93 -1.285 -15.861 2.481
755 HA GLU 93 HA GLU 93 -3.817 -14.339 2.096
756 1HB GLU 93 HB2 GLU 93 -2.857 -15.666 4.312
757 2HB GLU 93 HB1 GLU 93 -2.380 -13.999 4.640
758 1HG GLU 93 HG2 GLU 93 -4.977 -13.767 3.659
759 2HG GLU 93 HG1 GLU 93 -5.036 -15.201 4.685
760 HA PRO 94 HA PRO 94 -1.073 -11.068 0.658
761 1HB PRO 94 HB2 PRO 94 -3.238 -9.231 0.715
762 2HB PRO 94 HB1 PRO 94 -2.628 -10.122 -0.683
763 1HG PRO 94 HG2 PRO 94 -5.041 -10.632 0.928
764 2HG PRO 94 HG1 PRO 94 -4.651 -11.187 -0.698
765 1HD PRO 94 HD2 PRO 94 -4.645 -12.800 1.557
766 2HD PRO 94 HD1 PRO 94 -3.766 -13.158 0.066
767 H TRP 95 HN TRP 95 0.181 -9.703 1.876
768 HA TRP 95 HA TRP 95 -0.948 -8.617 4.428
769 1HB TRP 95 HB2 TRP 95 1.517 -8.100 4.912
770 2HB TRP 95 HB1 TRP 95 1.074 -9.795 4.934
771 HD1 TRP 95 HD1 TRP 95 1.915 -11.313 2.928
772 HE1 TRP 95 HE1 TRP 95 3.780 -11.020 1.191
773 HE3 TRP 95 HE3 TRP 95 2.779 -6.314 3.452
774 HZ2 TRP 95 HZ2 TRP 95 5.442 -8.897 0.153
775 HZ3 TRP 95 HZ3 TRP 95 4.515 -5.192 2.065
776 HH2 TRP 95 HH2 TRP 95 5.825 -6.488 0.440
777 H GLY 96 HN GLY 96 0.715 -6.456 4.775
778 1HA GLY 96 HA2 GLY 96 1.427 -4.866 2.650
779 2HA GLY 96 HA1 GLY 96 -0.305 -4.615 2.769
780 H LYS 97 HN LYS 97 0.214 -5.103 5.847
781 HA LYS 97 HA LYS 97 1.121 -2.313 6.382
782 1HB LYS 97 HB2 LYS 97 -1.241 -2.521 6.890
783 2HB LYS 97 HB1 LYS 97 -0.938 -3.976 7.844
784 1HG LYS 97 HG2 LYS 97 -0.196 -2.804 9.635
785 2HG LYS 97 HG1 LYS 97 0.673 -1.640 8.636
786 1HD LYS 97 HD2 LYS 97 -1.127 -0.225 8.474
787 2HD LYS 97 HD1 LYS 97 -2.299 -1.544 8.509
788 1HE LYS 97 HE2 LYS 97 -2.540 -0.375 10.589
789 2HE LYS 97 HE1 LYS 97 -1.681 -1.871 10.955
790 1HZ LYS 97 HZ1 LYS 97 0.193 0.081 10.239
791 2HZ LYS 97 HZ3 LYS 97 -0.840 0.756 11.402
792 3HZ LYS 97 HZ2 LYS 97 -0.007 -0.686 11.741
793 H GLU 98 HN GLU 98 0.463 -4.457 8.999
794 HA GLU 98 HA GLU 98 3.373 -5.012 9.336
795 1HB GLU 98 HB2 GLU 98 1.986 -3.094 10.803
796 2HB GLU 98 HB1 GLU 98 1.980 -4.508 11.858
797 1HG GLU 98 HG2 GLU 98 4.486 -4.706 11.348
798 2HG GLU 98 HG1 GLU 98 4.366 -3.078 10.676
799 H GLY 99 HN GLY 99 1.002 -6.652 8.513
800 1HA GLY 99 HA2 GLY 99 0.762 -9.027 8.882
801 2HA GLY 99 HA1 GLY 99 1.396 -8.809 10.514
802 H GLN 100 HN GLN 100 -1.023 -6.584 9.378
803 HA GLN 100 HA GLN 100 -2.931 -7.797 11.315
804 1HB GLN 100 HB2 GLN 100 -2.204 -5.077 10.584
805 2HB GLN 100 HB1 GLN 100 -3.944 -5.332 10.467
806 1HG GLN 100 HG2 GLN 100 -4.186 -5.674 12.719
807 2HG GLN 100 HG1 GLN 100 -2.623 -6.479 12.865
808 1HE2 GLN 100 HE22 GLN 100 -2.207 -3.216 14.557
809 2HE2 GLN 100 HE21 GLN 100 -3.059 -4.658 14.832
810 HA PRO 101 HA PRO 101 -5.851 -8.983 8.292
811 1HB PRO 101 HB2 PRO 101 -8.135 -7.620 9.333
812 2HB PRO 101 HB1 PRO 101 -7.652 -9.294 9.636
813 1HG PRO 101 HG2 PRO 101 -7.529 -7.045 11.460
814 2HG PRO 101 HG1 PRO 101 -7.131 -8.737 11.782
815 1HD PRO 101 HD2 PRO 101 -5.309 -6.529 11.481
816 2HD PRO 101 HD1 PRO 101 -4.910 -8.235 11.776
817 H GLY 102 HN GLY 102 -6.165 -8.178 6.249
818 1HA GLY 102 HA2 GLY 102 -6.443 -5.223 5.937
819 2HA GLY 102 HA1 GLY 102 -5.850 -6.319 4.685
820 H GLU 103 HN GLU 103 -7.854 -4.689 3.839
821 HA GLU 103 HA GLU 103 -10.320 -6.364 4.084
822 1HB GLU 103 HB2 GLU 103 -10.167 -3.488 3.161
823 2HB GLU 103 HB1 GLU 103 -11.613 -4.402 3.594
824 1HG GLU 103 HG2 GLU 103 -9.360 -3.614 5.455
825 2HG GLU 103 HG1 GLU 103 -10.995 -2.953 5.449
826 H TRP 104 HN TRP 104 -11.510 -6.806 2.206
827 HA TRP 104 HA TRP 104 -9.907 -6.711 -0.309
828 1HB TRP 104 HB2 TRP 104 -12.427 -8.310 -0.076
829 2HB TRP 104 HB1 TRP 104 -10.954 -8.669 -0.976
830 HD1 TRP 104 HD1 TRP 104 -8.949 -8.209 1.516
831 HE1 TRP 104 HE1 TRP 104 -8.820 -10.040 3.330
832 HE3 TRP 104 HE3 TRP 104 -13.404 -10.563 0.705
833 HZ2 TRP 104 HZ2 TRP 104 -10.403 -12.217 4.305
834 HZ3 TRP 104 HZ3 TRP 104 -14.071 -12.508 2.087
835 HH2 TRP 104 HH2 TRP 104 -12.578 -13.337 3.884
836 H MET 105 HN MET 105 -10.458 -4.726 -1.251
837 HA MET 105 HA MET 105 -13.332 -4.020 -1.382
838 1HB MET 105 HB2 MET 105 -11.943 -1.947 -2.570
839 2HB MET 105 HB1 MET 105 -12.485 -1.991 -0.900
840 1HG MET 105 HG2 MET 105 -9.813 -3.100 -1.773
841 2HG MET 105 HG1 MET 105 -10.025 -1.431 -1.257
842 1HE MET 105 HE1 MET 105 -11.355 -0.798 0.549
843 2HE MET 105 HE3 MET 105 -11.600 -1.628 2.091
844 3HE MET 105 HE2 MET 105 -10.050 -0.875 1.729
845 H SER 106 HN SER 106 -13.369 -2.486 -3.683
846 HA SER 106 HA SER 106 -12.889 -4.558 -5.785
847 1HB SER 106 HB2 SER 106 -15.232 -3.151 -5.079
848 2HB SER 106 HB1 SER 106 -14.697 -2.458 -6.606
849 HG SER 106 HG SER 106 -15.109 -5.207 -6.011
850 H LEU 107 HN LEU 107 -12.095 -3.834 -7.836
851 HA LEU 107 HA LEU 107 -10.067 -1.831 -7.735
852 1HB LEU 107 HB2 LEU 107 -9.959 -3.638 -9.353
853 2HB LEU 107 HB1 LEU 107 -11.473 -3.112 -10.091
854 HG LEU 107 HG LEU 107 -9.278 -1.102 -9.898
855 1HD1 LEU 107 HD12 LEU 107 -8.861 -3.673 -11.069
856 2HD1 LEU 107 HD11 LEU 107 -9.023 -2.506 -12.382
857 3HD1 LEU 107 HD13 LEU 107 -7.800 -2.265 -11.134
858 1HD2 LEU 107 HD23 LEU 107 -11.766 -1.549 -11.331
859 2HD2 LEU 107 HD22 LEU 107 -10.827 -0.064 -11.174
860 3HD2 LEU 107 HD21 LEU 107 -10.448 -1.216 -12.455
861 H VAL 108 HN VAL 108 -13.470 -1.652 -8.567
862 HA VAL 108 HA VAL 108 -13.385 0.828 -10.005
863 HB VAL 108 HB VAL 108 -15.622 -0.332 -8.313
864 1HG1 VAL 108 HG13 VAL 108 -15.411 2.208 -9.417
865 2HG1 VAL 108 HG12 VAL 108 -16.305 1.307 -10.641
866 3HG1 VAL 108 HG11 VAL 108 -16.917 1.397 -8.990
867 1HG2 VAL 108 HG21 VAL 108 -14.649 -1.723 -10.253
868 2HG2 VAL 108 HG23 VAL 108 -16.384 -1.408 -10.294
869 3HG2 VAL 108 HG22 VAL 108 -15.293 -0.472 -11.315
870 H GLY 109 HN GLY 109 -12.556 2.673 -9.140
871 1HA GLY 109 HA2 GLY 109 -11.964 4.268 -7.502
872 2HA GLY 109 HA1 GLY 109 -13.662 4.116 -7.043
873 H LEU 110 HN LEU 110 -11.130 1.629 -6.844
874 HA LEU 110 HA LEU 110 -11.864 0.633 -4.383
875 1HB LEU 110 HB2 LEU 110 -10.239 -0.782 -4.977
876 2HB LEU 110 HB1 LEU 110 -9.890 0.254 -6.333
877 HG LEU 110 HG LEU 110 -8.443 1.602 -4.717
878 1HD1 LEU 110 HD12 LEU 110 -9.252 -0.702 -3.042
879 2HD1 LEU 110 HD11 LEU 110 -7.537 -0.294 -2.990
880 3HD1 LEU 110 HD13 LEU 110 -8.745 0.915 -2.555
881 1HD2 LEU 110 HD22 LEU 110 -7.951 -0.763 -6.246
882 2HD2 LEU 110 HD21 LEU 110 -6.850 0.575 -5.922
883 3HD2 LEU 110 HD23 LEU 110 -6.917 -0.798 -4.819
884 H ASN 111 HN ASN 111 -9.567 3.222 -5.072
885 HA ASN 111 HA ASN 111 -9.701 3.997 -2.213
886 1HB ASN 111 HB2 ASN 111 -7.288 4.857 -2.806
887 2HB ASN 111 HB1 ASN 111 -7.546 3.189 -2.335
888 1HD2 ASN 111 HD22 ASN 111 -7.244 3.755 -6.389
889 2HD2 ASN 111 HD21 ASN 111 -8.256 4.768 -5.482
890 H ALA 112 HN ALA 112 -8.238 6.318 -2.385
891 HA ALA 112 HA ALA 112 -8.156 8.500 -3.287
892 1HB ALA 112 HB1 ALA 112 -8.777 7.292 -5.534
893 2HB ALA 112 HB3 ALA 112 -10.404 7.877 -5.184
894 3HB ALA 112 HB2 ALA 112 -9.076 9.022 -5.370
895 H ASP 113 HN ASP 113 -11.044 6.770 -2.437
896 HA ASP 113 HA ASP 113 -12.213 9.284 -1.391
897 1HB ASP 113 HB2 ASP 113 -13.360 7.795 -3.273
898 2HB ASP 113 HB1 ASP 113 -13.882 6.865 -1.874
899 H ASP 114 HN ASP 114 -11.633 5.833 -0.862
900 HA ASP 114 HA ASP 114 -12.507 6.118 1.965
901 1HB ASP 114 HB2 ASP 114 -13.045 4.100 0.344
902 2HB ASP 114 HB1 ASP 114 -11.428 3.567 0.807
903 H PHE 115 HN PHE 115 -9.772 6.698 0.226
904 HA PHE 115 HA PHE 115 -7.920 5.504 2.200
905 1HB PHE 115 HB2 PHE 115 -7.676 6.585 -0.519
906 2HB PHE 115 HB1 PHE 115 -6.358 7.060 0.558
907 HD1 PHE 115 HD2 PHE 115 -8.406 4.054 -0.317
908 HD2 PHE 115 HD1 PHE 115 -4.563 5.569 0.855
909 HE1 PHE 115 HE2 PHE 115 -7.456 1.777 -0.497
910 HE2 PHE 115 HE1 PHE 115 -3.621 3.292 0.688
911 HZ PHE 115 HZ PHE 115 -5.064 1.392 0.017
912 HA PRO 116 HA PRO 116 -7.357 9.037 4.647
913 1HB PRO 116 HB2 PRO 116 -4.509 9.088 4.646
914 2HB PRO 116 HB1 PRO 116 -5.559 8.322 5.839
915 1HG PRO 116 HG2 PRO 116 -3.873 7.041 3.876
916 2HG PRO 116 HG1 PRO 116 -4.910 6.273 5.085
917 1HD PRO 116 HD2 PRO 116 -5.348 6.489 2.231
918 2HD PRO 116 HD1 PRO 116 -6.340 5.646 3.431
919 HA PRO 117 HA PRO 117 -6.826 12.399 1.824
920 1HB PRO 117 HB2 PRO 117 -6.461 14.303 3.935
921 2HB PRO 117 HB1 PRO 117 -7.948 13.955 3.042
922 1HG PRO 117 HG2 PRO 117 -7.330 13.270 5.779
923 2HG PRO 117 HG1 PRO 117 -8.825 12.950 4.889
924 1HD PRO 117 HD2 PRO 117 -6.779 11.062 5.651
925 2HD PRO 117 HD1 PRO 117 -8.290 10.742 4.775
926 H ALA 118 HN ALA 118 -4.738 11.975 0.946
927 HA ALA 118 HA ALA 118 -2.656 13.741 1.297
928 1HB ALA 118 HB3 ALA 118 -2.761 11.825 3.516
929 2HB ALA 118 HB2 ALA 118 -1.194 11.859 2.705
930 3HB ALA 118 HB1 ALA 118 -1.869 13.341 3.383
931 H ASN 119 HN ASN 119 -3.674 10.499 0.585
932 HA ASN 119 HA ASN 119 -1.227 9.981 -1.010
933 1HB ASN 119 HB2 ASN 119 -3.286 8.355 0.289
934 2HB ASN 119 HB1 ASN 119 -2.942 7.838 -1.356
935 1HD2 ASN 119 HD22 ASN 119 0.021 7.587 1.473
936 2HD2 ASN 119 HD21 ASN 119 -1.298 8.622 1.735
937 H GLU 120 HN GLU 120 -3.242 12.023 -1.747
938 HA GLU 120 HA GLU 120 -4.883 11.060 -3.887
939 1HB GLU 120 HB2 GLU 120 -3.827 13.850 -3.384
940 2HB GLU 120 HB1 GLU 120 -5.167 13.429 -4.452
941 1HG GLU 120 HG2 GLU 120 -6.173 12.268 -2.348
942 2HG GLU 120 HG1 GLU 120 -5.034 13.271 -1.449
943 HA PRO 121 HA PRO 121 -1.208 12.838 -6.604
944 1HB PRO 121 HB2 PRO 121 1.138 11.673 -5.351
945 2HB PRO 121 HB1 PRO 121 0.821 13.365 -5.761
946 1HG PRO 121 HG2 PRO 121 0.851 12.242 -3.153
947 2HG PRO 121 HG1 PRO 121 0.307 13.866 -3.597
948 1HD PRO 121 HD2 PRO 121 -1.290 11.567 -2.803
949 2HD PRO 121 HD1 PRO 121 -1.816 13.246 -3.031
950 H VAL 122 HN VAL 122 -0.952 9.689 -4.881
951 HA VAL 122 HA VAL 122 -0.362 8.441 -7.521
952 HB VAL 122 HB VAL 122 0.536 7.938 -4.835
953 1HG1 VAL 122 HG12 VAL 122 -1.102 5.738 -6.081
954 2HG1 VAL 122 HG11 VAL 122 0.265 5.368 -5.038
955 3HG1 VAL 122 HG13 VAL 122 -1.095 6.295 -4.408
956 1HG2 VAL 122 HG22 VAL 122 1.681 7.912 -7.185
957 2HG2 VAL 122 HG21 VAL 122 2.249 6.799 -5.941
958 3HG2 VAL 122 HG23 VAL 122 1.177 6.222 -7.217
959 H ILE 123 HN ILE 123 -2.506 8.142 -4.701
960 HA ILE 123 HA ILE 123 -4.258 6.160 -5.567
961 HB ILE 123 HB ILE 123 -4.859 8.761 -4.144
962 1HG1 ILE 123 HG12 ILE 123 -3.229 7.015 -3.175
963 2HG1 ILE 123 HG11 ILE 123 -4.570 7.520 -2.148
964 1HG2 ILE 123 HG23 ILE 123 -6.562 6.439 -4.913
965 2HG2 ILE 123 HG22 ILE 123 -6.801 7.143 -3.313
966 3HG2 ILE 123 HG21 ILE 123 -6.990 8.143 -4.753
967 1HD1 ILE 123 HD11 ILE 123 -5.367 5.307 -3.842
968 2HD1 ILE 123 HD13 ILE 123 -3.933 4.886 -2.905
969 3HD1 ILE 123 HD12 ILE 123 -5.398 5.423 -2.083
970 H ALA 124 HN ALA 124 -3.943 9.481 -6.685
971 HA ALA 124 HA ALA 124 -6.374 9.796 -8.076
972 1HB ALA 124 HB3 ALA 124 -3.692 10.959 -8.210
973 2HB ALA 124 HB2 ALA 124 -4.479 10.902 -9.787
974 3HB ALA 124 HB1 ALA 124 -5.261 11.733 -8.442
975 H LYS 125 HN LYS 125 -3.334 8.352 -9.250
976 HA LYS 125 HA LYS 125 -4.389 7.544 -11.787
977 1HB LYS 125 HB2 LYS 125 -1.935 7.709 -11.156
978 2HB LYS 125 HB1 LYS 125 -2.140 6.196 -10.272
979 1HG LYS 125 HG2 LYS 125 -3.293 5.638 -12.729
980 2HG LYS 125 HG1 LYS 125 -1.913 6.649 -13.159
981 1HD LYS 125 HD2 LYS 125 -0.370 5.130 -12.365
982 2HD LYS 125 HD1 LYS 125 -1.467 4.500 -11.136
983 1HE LYS 125 HE2 LYS 125 -2.689 3.908 -13.601
984 2HE LYS 125 HE1 LYS 125 -0.983 3.517 -13.817
985 1HZ LYS 125 HZ2 LYS 125 -1.167 2.334 -11.610
986 2HZ LYS 125 HZ1 LYS 125 -2.853 2.474 -11.776
987 3HZ LYS 125 HZ3 LYS 125 -1.958 1.603 -12.923
988 H LEU 126 HN LEU 126 -4.117 5.871 -8.649
989 HA LEU 126 HA LEU 126 -5.001 3.325 -9.444
990 1HB LEU 126 HB2 LEU 126 -5.718 4.684 -6.845
991 2HB LEU 126 HB1 LEU 126 -5.467 2.972 -7.137
992 HG LEU 126 HG LEU 126 -3.394 5.157 -7.097
993 1HD1 LEU 126 HD12 LEU 126 -3.691 2.512 -5.645
994 2HD1 LEU 126 HD11 LEU 126 -2.352 3.641 -5.442
995 3HD1 LEU 126 HD13 LEU 126 -3.981 4.106 -4.950
996 1HD2 LEU 126 HD22 LEU 126 -3.463 2.655 -8.633
997 2HD2 LEU 126 HD21 LEU 126 -2.370 4.029 -8.782
998 3HD2 LEU 126 HD23 LEU 126 -2.058 2.779 -7.577
999 H LYS 127 HN LYS 127 -6.711 6.296 -9.435
1000 HA LYS 127 HA LYS 127 -9.339 5.407 -8.849
1001 1HB LYS 127 HB2 LYS 127 -8.202 7.613 -10.568
1002 2HB LYS 127 HB1 LYS 127 -9.928 7.378 -10.375
1003 1HG LYS 127 HG2 LYS 127 -9.326 7.310 -7.805
1004 2HG LYS 127 HG1 LYS 127 -7.901 8.201 -8.338
1005 1HD LYS 127 HD2 LYS 127 -9.566 9.731 -9.591
1006 2HD LYS 127 HD1 LYS 127 -10.800 8.996 -8.566
1007 1HE LYS 127 HE2 LYS 127 -10.027 10.017 -6.668
1008 2HE LYS 127 HE1 LYS 127 -8.343 9.928 -7.182
1009 1HZ LYS 127 HZ3 LYS 127 -9.591 11.603 -8.978
1010 2HZ LYS 127 HZ2 LYS 127 -10.186 12.066 -7.456
1011 3HZ LYS 127 HZ1 LYS 127 -8.512 12.049 -7.748
1012 H ARG 128 HN ARG 128 -7.545 5.597 -11.925
1013 HA ARG 128 HA ARG 128 -9.698 4.220 -13.340
1014 1HB ARG 128 HB2 ARG 128 -7.200 5.661 -14.051
1015 2HB ARG 128 HB1 ARG 128 -7.706 4.378 -15.142
1016 1HG ARG 128 HG2 ARG 128 -10.077 5.549 -14.874
1017 2HG ARG 128 HG1 ARG 128 -9.080 6.949 -14.478
1018 1HD ARG 128 HD2 ARG 128 -8.654 5.273 -16.962
1019 2HD ARG 128 HD1 ARG 128 -9.667 6.715 -16.935
1020 HE ARG 128 HE ARG 128 -7.244 7.560 -15.862
1021 1HH1 ARG 128 HH11 ARG 128 -8.544 8.152 -18.650
1022 2HH1 ARG 128 HH12 ARG 128 -7.184 7.845 -19.677
1023 1HH2 ARG 128 HH21 ARG 128 -5.356 6.222 -17.219
1024 2HH2 ARG 128 HH22 ARG 128 -5.381 6.753 -18.867
1025 H LEU 129 HN LEU 129 -7.626 3.086 -11.202
1026 HA LEU 129 HA LEU 129 -5.933 1.170 -12.251
1027 1HB LEU 129 HB2 LEU 129 -6.866 1.638 -9.763
1028 2HB LEU 129 HB1 LEU 129 -7.761 0.167 -10.124
1029 HG LEU 129 HG LEU 129 -5.361 -0.635 -10.976
1030 1HD1 LEU 129 HD12 LEU 129 -4.513 1.743 -10.312
1031 2HD1 LEU 129 HD11 LEU 129 -4.588 1.135 -8.659
1032 3HD1 LEU 129 HD13 LEU 129 -3.542 0.349 -9.841
1033 1HD2 LEU 129 HD23 LEU 129 -6.949 -0.968 -8.653
1034 2HD2 LEU 129 HD22 LEU 129 -5.689 -2.048 -9.249
1035 3HD2 LEU 129 HD21 LEU 129 -5.289 -0.777 -8.094
No H/Q in entry = 1035
Start of MODEL 11
1 1H MET 1 HT3 MET 1 14.505 13.934 13.385
2 2H MET 1 HT2 MET 1 14.892 15.324 12.487
3 3H MET 1 HT1 MET 1 13.525 15.314 13.496
4 HA MET 1 HA MET 1 12.449 14.911 11.571
5 1HB MET 1 HB2 MET 1 15.169 14.028 10.724
6 2HB MET 1 HB1 MET 1 13.795 13.372 9.833
7 1HG MET 1 HG2 MET 1 13.339 15.361 8.846
8 2HG MET 1 HG1 MET 1 13.581 16.256 10.346
9 1HE MET 1 HE2 MET 1 14.083 17.675 8.273
10 2HE MET 1 HE1 MET 1 15.749 18.107 7.900
11 3HE MET 1 HE3 MET 1 14.926 16.851 6.965
12 H LYS 2 HN LYS 2 10.920 13.320 11.483
13 HA LYS 2 HA LYS 2 11.152 11.003 13.160
14 1HB LYS 2 HB2 LYS 2 9.138 11.796 11.055
15 2HB LYS 2 HB1 LYS 2 8.986 10.330 12.023
16 1HG LYS 2 HG2 LYS 2 9.510 12.875 13.485
17 2HG LYS 2 HG1 LYS 2 7.899 12.653 12.798
18 1HD LYS 2 HD2 LYS 2 7.568 10.611 14.014
19 2HD LYS 2 HD1 LYS 2 9.258 10.568 14.519
20 1HE LYS 2 HE2 LYS 2 7.543 12.930 15.235
21 2HE LYS 2 HE1 LYS 2 7.454 11.455 16.197
22 1HZ LYS 2 HZ1 LYS 2 10.106 11.805 15.932
23 2HZ LYS 2 HZ3 LYS 2 9.567 13.411 16.017
24 3HZ LYS 2 HZ2 LYS 2 9.193 12.323 17.268
25 H LYS 3 HN LYS 3 9.875 10.271 10.044
26 HA LYS 3 HA LYS 3 12.243 8.531 9.507
27 1HB LYS 3 HB2 LYS 3 9.484 7.827 9.951
28 2HB LYS 3 HB1 LYS 3 9.959 7.361 8.319
29 1HG LYS 3 HG2 LYS 3 12.072 6.749 10.205
30 2HG LYS 3 HG1 LYS 3 10.558 5.991 10.701
31 1HD LYS 3 HD2 LYS 3 10.470 4.632 8.853
32 2HD LYS 3 HD1 LYS 3 11.246 5.825 7.810
33 1HE LYS 3 HE2 LYS 3 12.811 4.515 10.020
34 2HE LYS 3 HE1 LYS 3 12.581 3.678 8.485
35 1HZ LYS 3 HZ1 LYS 3 13.281 6.182 7.729
36 2HZ LYS 3 HZ3 LYS 3 14.241 5.939 9.106
37 3HZ LYS 3 HZ2 LYS 3 14.332 4.850 7.804
38 H LEU 4 HN LEU 4 11.249 7.560 7.026
39 HA LEU 4 HA LEU 4 10.688 9.843 5.299
40 1HB LEU 4 HB2 LEU 4 12.831 9.185 3.930
41 2HB LEU 4 HB1 LEU 4 12.965 10.298 5.292
42 HG LEU 4 HG LEU 4 13.146 7.409 5.938
43 1HD1 LEU 4 HD11 LEU 4 14.951 8.777 4.034
44 2HD1 LEU 4 HD13 LEU 4 15.759 7.928 5.353
45 3HD1 LEU 4 HD12 LEU 4 14.669 7.052 4.280
46 1HD2 LEU 4 HD23 LEU 4 13.923 10.000 7.014
47 2HD2 LEU 4 HD22 LEU 4 13.788 8.448 7.840
48 3HD2 LEU 4 HD21 LEU 4 15.283 8.877 7.011
49 H GLN 5 HN GLN 5 12.527 7.211 4.034
50 HA GLN 5 HA GLN 5 10.483 6.438 2.206
51 1HB GLN 5 HB2 GLN 5 12.740 4.623 3.043
52 2HB GLN 5 HB1 GLN 5 11.982 4.774 1.457
53 1HG GLN 5 HG2 GLN 5 12.915 7.351 2.066
54 2HG GLN 5 HG1 GLN 5 14.212 6.263 2.560
55 1HE2 GLN 5 HE22 GLN 5 15.056 5.337 -0.751
56 2HE2 GLN 5 HE21 GLN 5 15.337 5.084 0.904
57 H ILE 6 HN ILE 6 9.283 4.471 2.097
58 HA ILE 6 HA ILE 6 8.989 2.918 4.605
59 HB ILE 6 HB ILE 6 6.899 4.577 3.201
60 1HG1 ILE 6 HG12 ILE 6 8.009 5.436 5.234
61 2HG1 ILE 6 HG11 ILE 6 6.296 5.129 5.528
62 1HG2 ILE 6 HG23 ILE 6 6.359 2.132 4.907
63 2HG2 ILE 6 HG22 ILE 6 5.143 3.277 4.339
64 3HG2 ILE 6 HG21 ILE 6 6.023 2.281 3.182
65 1HD1 ILE 6 HD11 ILE 6 7.270 2.715 6.198
66 2HD1 ILE 6 HD13 ILE 6 8.687 3.694 6.575
67 3HD1 ILE 6 HD12 ILE 6 7.146 4.034 7.361
68 H ALA 7 HN ALA 7 7.481 0.934 4.045
69 HA ALA 7 HA ALA 7 7.850 0.176 1.175
70 1HB ALA 7 HB2 ALA 7 9.618 -0.869 2.596
71 2HB ALA 7 HB1 ALA 7 8.352 -1.644 3.548
72 3HB ALA 7 HB3 ALA 7 8.556 -2.061 1.848
73 H VAL 8 HN VAL 8 5.587 0.543 0.809
74 HA VAL 8 HA VAL 8 3.707 -1.161 2.394
75 HB VAL 8 HB VAL 8 3.074 1.208 2.149
76 1HG1 VAL 8 HG13 VAL 8 4.205 0.962 -0.372
77 2HG1 VAL 8 HG12 VAL 8 2.477 1.046 -0.713
78 3HG1 VAL 8 HG11 VAL 8 3.260 2.339 0.197
79 1HG2 VAL 8 HG23 VAL 8 1.402 -0.779 2.003
80 2HG2 VAL 8 HG22 VAL 8 0.835 0.812 1.518
81 3HG2 VAL 8 HG21 VAL 8 1.295 -0.368 0.293
82 H GLY 9 HN GLY 9 2.004 -2.279 1.127
83 1HA GLY 9 HA2 GLY 9 2.752 -2.950 -1.646
84 2HA GLY 9 HA1 GLY 9 2.742 -4.270 -0.482
85 H ILE 10 HN ILE 10 0.865 -2.648 -2.707
86 HA ILE 10 HA ILE 10 -1.663 -3.267 -1.290
87 HB ILE 10 HB ILE 10 -1.787 -2.215 -4.041
88 1HG1 ILE 10 HG12 ILE 10 -0.884 -0.385 -1.813
89 2HG1 ILE 10 HG11 ILE 10 0.216 -1.025 -3.028
90 1HG2 ILE 10 HG23 ILE 10 -3.435 -2.446 -1.831
91 2HG2 ILE 10 HG22 ILE 10 -3.045 -0.727 -1.882
92 3HG2 ILE 10 HG21 ILE 10 -3.779 -1.508 -3.284
93 1HD1 ILE 10 HD11 ILE 10 -2.308 0.369 -3.864
94 2HD1 ILE 10 HD13 ILE 10 -0.862 1.296 -3.467
95 3HD1 ILE 10 HD12 ILE 10 -0.823 0.123 -4.783
96 H ILE 11 HN ILE 11 -2.576 -5.172 -1.698
97 HA ILE 11 HA ILE 11 -1.765 -6.584 -4.215
98 HB ILE 11 HB ILE 11 -2.767 -8.004 -1.759
99 1HG1 ILE 11 HG12 ILE 11 0.052 -7.016 -2.305
100 2HG1 ILE 11 HG11 ILE 11 -0.983 -6.564 -0.954
101 1HG2 ILE 11 HG23 ILE 11 -1.576 -8.670 -4.342
102 2HG2 ILE 11 HG22 ILE 11 -0.676 -9.388 -3.006
103 3HG2 ILE 11 HG21 ILE 11 -2.398 -9.722 -3.190
104 1HD1 ILE 11 HD13 ILE 11 -0.659 -9.461 -1.197
105 2HD1 ILE 11 HD12 ILE 11 0.873 -8.625 -0.940
106 3HD1 ILE 11 HD11 ILE 11 -0.448 -8.424 0.213
107 H ARG 12 HN ARG 12 -3.434 -7.825 -5.259
108 HA ARG 12 HA ARG 12 -6.063 -6.576 -4.996
109 1HB ARG 12 HB2 ARG 12 -4.827 -7.549 -7.136
110 2HB ARG 12 HB1 ARG 12 -5.659 -9.028 -6.652
111 1HG ARG 12 HG2 ARG 12 -7.196 -7.956 -8.096
112 2HG ARG 12 HG1 ARG 12 -7.771 -7.531 -6.486
113 1HD ARG 12 HD2 ARG 12 -7.772 -5.469 -7.626
114 2HD ARG 12 HD1 ARG 12 -6.260 -5.440 -6.720
115 HE ARG 12 HE ARG 12 -5.540 -6.538 -9.156
116 1HH1 ARG 12 HH21 ARG 12 -7.475 -5.161 -10.706
117 2HH1 ARG 12 HH22 ARG 12 -6.845 -3.560 -10.904
118 1HH2 ARG 12 HH11 ARG 12 -4.591 -3.837 -8.282
119 2HH2 ARG 12 HH12 ARG 12 -5.212 -2.811 -9.532
120 H ASN 13 HN ASN 13 -7.433 -9.130 -5.657
121 HA ASN 13 HA ASN 13 -7.233 -10.596 -3.078
122 1HB ASN 13 HB2 ASN 13 -9.340 -8.772 -3.850
123 2HB ASN 13 HB1 ASN 13 -9.939 -10.373 -3.469
124 1HD2 ASN 13 HD22 ASN 13 -9.188 -10.131 0.004
125 2HD2 ASN 13 HD21 ASN 13 -9.683 -11.154 -1.257
126 H GLU 14 HN GLU 14 -7.914 -10.589 -6.383
127 HA GLU 14 HA GLU 14 -8.179 -12.454 -7.812
128 1HB GLU 14 HB2 GLU 14 -7.653 -13.699 -5.339
129 2HB GLU 14 HB1 GLU 14 -9.123 -14.451 -5.959
130 1HG GLU 14 HG2 GLU 14 -8.051 -15.136 -7.959
131 2HG GLU 14 HG1 GLU 14 -6.695 -14.038 -7.706
132 H ASN 15 HN ASN 15 -10.431 -11.858 -5.204
133 HA ASN 15 HA ASN 15 -12.713 -12.613 -6.928
134 1HB ASN 15 HB2 ASN 15 -12.418 -13.091 -4.323
135 2HB ASN 15 HB1 ASN 15 -13.037 -11.446 -4.185
136 1HD2 ASN 15 HD22 ASN 15 -15.987 -13.726 -4.225
137 2HD2 ASN 15 HD21 ASN 15 -14.661 -13.478 -3.195
138 H ASN 16 HN ASN 16 -10.858 -10.332 -7.336
139 HA ASN 16 HA ASN 16 -10.989 -8.195 -8.185
140 1HB ASN 16 HB2 ASN 16 -13.054 -8.823 -9.251
141 2HB ASN 16 HB1 ASN 16 -13.932 -8.658 -7.739
142 1HD2 ASN 16 HD22 ASN 16 -12.705 -5.222 -9.654
143 2HD2 ASN 16 HD21 ASN 16 -11.808 -6.649 -9.860
144 H GLU 17 HN GLU 17 -10.401 -8.639 -5.388
145 HA GLU 17 HA GLU 17 -11.444 -6.002 -4.376
146 1HB GLU 17 HB2 GLU 17 -10.852 -8.353 -2.571
147 2HB GLU 17 HB1 GLU 17 -11.658 -6.847 -2.153
148 1HG GLU 17 HG2 GLU 17 -13.257 -7.688 -4.171
149 2HG GLU 17 HG1 GLU 17 -12.725 -9.245 -3.534
150 H ILE 18 HN ILE 18 -9.814 -5.889 -2.056
151 HA ILE 18 HA ILE 18 -7.029 -6.333 -2.966
152 HB ILE 18 HB ILE 18 -7.644 -3.561 -2.046
153 1HG1 ILE 18 HG12 ILE 18 -8.257 -4.651 -4.800
154 2HG1 ILE 18 HG11 ILE 18 -9.349 -3.808 -3.706
155 1HG2 ILE 18 HG23 ILE 18 -5.737 -4.715 -4.099
156 2HG2 ILE 18 HG22 ILE 18 -5.806 -3.024 -3.606
157 3HG2 ILE 18 HG21 ILE 18 -5.325 -4.261 -2.444
158 1HD1 ILE 18 HD12 ILE 18 -7.357 -1.970 -3.918
159 2HD1 ILE 18 HD11 ILE 18 -7.274 -2.719 -5.514
160 3HD1 ILE 18 HD13 ILE 18 -8.780 -1.988 -4.959
161 H PHE 19 HN PHE 19 -5.501 -6.089 -1.211
162 HA PHE 19 HA PHE 19 -6.776 -6.357 1.459
163 1HB PHE 19 HB2 PHE 19 -5.146 -8.091 0.868
164 2HB PHE 19 HB1 PHE 19 -3.929 -6.859 0.525
165 HD1 PHE 19 HD2 PHE 19 -6.180 -8.089 3.246
166 HD2 PHE 19 HD1 PHE 19 -2.517 -6.092 2.237
167 HE1 PHE 19 HE2 PHE 19 -5.535 -8.068 5.641
168 HE2 PHE 19 HE1 PHE 19 -1.871 -6.066 4.631
169 HZ PHE 19 HZ PHE 19 -3.375 -7.057 6.332
170 H ILE 20 HN ILE 20 -7.203 -3.913 1.022
171 HA ILE 20 HA ILE 20 -4.899 -2.186 1.298
172 HB ILE 20 HB ILE 20 -7.218 -1.806 0.102
173 1HG1 ILE 20 HG12 ILE 20 -6.431 0.250 -0.268
174 2HG1 ILE 20 HG11 ILE 20 -6.722 0.716 1.402
175 1HG2 ILE 20 HG21 ILE 20 -8.290 -2.125 2.476
176 2HG2 ILE 20 HG23 ILE 20 -7.903 -0.416 2.644
177 3HG2 ILE 20 HG22 ILE 20 -8.963 -0.954 1.342
178 1HD1 ILE 20 HD13 ILE 20 -4.556 -0.453 2.002
179 2HD1 ILE 20 HD12 ILE 20 -4.256 -0.624 0.275
180 3HD1 ILE 20 HD11 ILE 20 -4.364 0.980 0.995
181 H THR 21 HN THR 21 -6.095 -0.239 2.999
182 HA THR 21 HA THR 21 -6.358 -1.578 5.611
183 HB THR 21 HB THR 21 -4.569 0.655 5.877
184 HG1 THR 21 HG1 THR 21 -3.762 -1.449 4.164
185 1HG2 THR 21 HG23 THR 21 -4.599 -2.267 6.539
186 2HG2 THR 21 HG22 THR 21 -3.111 -1.345 6.745
187 3HG2 THR 21 HG21 THR 21 -4.565 -0.883 7.630
188 H ARG 22 HN ARG 22 -7.460 -0.315 7.158
189 HA ARG 22 HA ARG 22 -8.704 2.153 6.028
190 1HB ARG 22 HB2 ARG 22 -9.860 -0.137 7.190
191 2HB ARG 22 HB1 ARG 22 -10.033 1.151 8.385
192 1HG ARG 22 HG2 ARG 22 -11.136 2.582 6.811
193 2HG ARG 22 HG1 ARG 22 -10.736 1.514 5.465
194 1HD ARG 22 HD2 ARG 22 -12.082 -0.124 7.295
195 2HD ARG 22 HD1 ARG 22 -12.989 1.389 7.301
196 HE ARG 22 HE ARG 22 -12.565 0.846 4.605
197 1HH1 ARG 22 HH21 ARG 22 -14.504 -0.122 7.217
198 2HH1 ARG 22 HH22 ARG 22 -15.364 -1.337 6.332
199 1HH2 ARG 22 HH11 ARG 22 -13.418 -1.021 3.482
200 2HH2 ARG 22 HH12 ARG 22 -14.749 -1.846 4.219
201 H ARG 23 HN ARG 23 -9.755 3.038 8.526
202 HA ARG 23 HA ARG 23 -7.805 4.786 9.440
203 1HB ARG 23 HB2 ARG 23 -9.244 4.646 11.630
204 2HB ARG 23 HB1 ARG 23 -9.964 5.287 10.162
205 1HG ARG 23 HG2 ARG 23 -11.351 3.491 9.913
206 2HG ARG 23 HG1 ARG 23 -10.138 2.351 10.494
207 1HD ARG 23 HD2 ARG 23 -10.584 2.891 12.780
208 2HD ARG 23 HD1 ARG 23 -11.548 4.298 12.331
209 HE ARG 23 HE ARG 23 -12.735 1.884 12.785
210 1HH1 ARG 23 HH21 ARG 23 -13.165 4.404 10.678
211 2HH1 ARG 23 HH22 ARG 23 -14.105 3.531 9.514
212 1HH2 ARG 23 HH11 ARG 23 -13.510 0.437 10.961
213 2HH2 ARG 23 HH12 ARG 23 -14.300 1.286 9.674
214 H ALA 24 HN ALA 24 -5.799 3.631 9.688
215 HA ALA 24 HA ALA 24 -5.714 1.828 12.071
216 1HB ALA 24 HB3 ALA 24 -5.005 0.924 9.761
217 2HB ALA 24 HB2 ALA 24 -3.593 1.967 9.927
218 3HB ALA 24 HB1 ALA 24 -3.882 0.680 11.098
219 H ALA 25 HN ALA 25 -5.040 4.926 11.097
220 HA ALA 25 HA ALA 25 -2.838 5.155 13.110
221 1HB ALA 25 HB1 ALA 25 -3.049 6.194 10.343
222 2HB ALA 25 HB3 ALA 25 -2.452 7.343 11.541
223 3HB ALA 25 HB2 ALA 25 -1.614 5.810 11.295
224 H ASP 26 HN ASP 26 -5.243 7.163 11.363
225 HA ASP 26 HA ASP 26 -6.175 8.204 13.974
226 1HB ASP 26 HB2 ASP 26 -4.371 9.653 12.327
227 2HB ASP 26 HB1 ASP 26 -5.948 10.428 12.166
228 H ALA 27 HN ALA 27 -6.595 9.263 10.579
229 HA ALA 27 HA ALA 27 -8.559 9.462 9.305
230 1HB ALA 27 HB2 ALA 27 -9.253 7.069 11.031
231 2HB ALA 27 HB1 ALA 27 -10.269 7.636 9.705
232 3HB ALA 27 HB3 ALA 27 -8.638 7.050 9.378
233 H HIS 28 HN HIS 28 -8.857 11.540 10.532
234 HA HIS 28 HA HIS 28 -10.790 11.472 12.749
235 1HB HIS 28 HB2 HIS 28 -8.741 13.183 12.111
236 2HB HIS 28 HB1 HIS 28 -10.148 14.084 11.547
237 HD1 HIS 28 HD1 HIS 28 -9.380 15.639 13.710
238 HD2 HIS 28 HD2 HIS 28 -11.151 11.957 14.542
239 HE1 HIS 28 HE1 HIS 28 -10.163 15.747 16.116
240 H MET 29 HN MET 29 -12.950 11.809 12.536
241 HA MET 29 HA MET 29 -15.018 12.319 11.560
242 1HB MET 29 HB2 MET 29 -13.540 13.864 9.433
243 2HB MET 29 HB1 MET 29 -15.144 14.168 10.099
244 1HG MET 29 HG2 MET 29 -13.593 14.308 12.351
245 2HG MET 29 HG1 MET 29 -12.499 14.963 11.133
246 1HE MET 29 HE3 MET 29 -15.906 14.931 12.682
247 2HE MET 29 HE2 MET 29 -15.004 16.039 13.714
248 3HE MET 29 HE1 MET 29 -16.380 16.632 12.787
249 H ALA 30 HN ALA 30 -16.067 10.747 10.483
250 HA ALA 30 HA ALA 30 -16.622 9.208 8.803
251 1HB ALA 30 HB3 ALA 30 -16.189 11.390 7.432
252 2HB ALA 30 HB2 ALA 30 -14.685 10.594 6.965
253 3HB ALA 30 HB1 ALA 30 -16.236 9.847 6.580
254 H ASN 31 HN ASN 31 -15.549 7.515 7.334
255 HA ASN 31 HA ASN 31 -13.236 6.425 8.779
256 1HB ASN 31 HB2 ASN 31 -14.468 5.250 6.286
257 2HB ASN 31 HB1 ASN 31 -13.651 4.412 7.607
258 1HD2 ASN 31 HD22 ASN 31 -17.322 3.959 8.107
259 2HD2 ASN 31 HD21 ASN 31 -16.210 3.525 6.899
260 H LYS 32 HN LYS 32 -11.189 5.995 7.797
261 HA LYS 32 HA LYS 32 -10.729 7.246 5.132
262 1HB LYS 32 HB2 LYS 32 -9.985 8.490 7.494
263 2HB LYS 32 HB1 LYS 32 -8.512 7.649 7.009
264 1HG LYS 32 HG2 LYS 32 -8.435 9.790 5.939
265 2HG LYS 32 HG1 LYS 32 -8.872 8.628 4.684
266 1HD LYS 32 HD2 LYS 32 -11.178 9.730 6.142
267 2HD LYS 32 HD1 LYS 32 -10.265 10.931 5.228
268 1HE LYS 32 HE2 LYS 32 -10.358 8.944 3.396
269 2HE LYS 32 HE1 LYS 32 -11.869 8.634 4.252
270 1HZ LYS 32 HZ3 LYS 32 -12.474 10.959 3.928
271 2HZ LYS 32 HZ2 LYS 32 -11.033 11.226 3.066
272 3HZ LYS 32 HZ1 LYS 32 -12.217 10.178 2.444
273 H LEU 33 HN LEU 33 -9.059 6.225 3.933
274 HA LEU 33 HA LEU 33 -8.151 3.640 5.081
275 1HB LEU 33 HB2 LEU 33 -8.684 4.655 2.315
276 2HB LEU 33 HB1 LEU 33 -7.603 3.302 2.560
277 HG LEU 33 HG LEU 33 -10.039 3.041 4.137
278 1HD1 LEU 33 HD12 LEU 33 -10.209 3.531 1.183
279 2HD1 LEU 33 HD11 LEU 33 -11.290 2.352 1.925
280 3HD1 LEU 33 HD13 LEU 33 -11.316 4.031 2.463
281 1HD2 LEU 33 HD21 LEU 33 -8.149 1.455 2.609
282 2HD2 LEU 33 HD23 LEU 33 -9.214 0.957 3.924
283 3HD2 LEU 33 HD22 LEU 33 -9.810 0.970 2.265
284 H GLU 34 HN GLU 34 -5.976 3.064 3.671
285 HA GLU 34 HA GLU 34 -4.176 5.331 3.433
286 1HB GLU 34 HB2 GLU 34 -4.460 4.509 5.987
287 2HB GLU 34 HB1 GLU 34 -3.198 3.401 5.459
288 1HG GLU 34 HG2 GLU 34 -2.224 5.677 4.409
289 2HG GLU 34 HG1 GLU 34 -3.110 6.358 5.774
290 H PHE 35 HN PHE 35 -1.833 3.805 3.956
291 HA PHE 35 HA PHE 35 -2.015 1.636 1.929
292 1HB PHE 35 HB2 PHE 35 -0.223 4.039 1.983
293 2HB PHE 35 HB1 PHE 35 0.402 2.533 1.312
294 HD1 PHE 35 HD2 PHE 35 -1.320 1.268 -0.309
295 HD2 PHE 35 HD1 PHE 35 -1.349 5.477 0.550
296 HE1 PHE 35 HE2 PHE 35 -2.586 1.686 -2.401
297 HE2 PHE 35 HE1 PHE 35 -2.613 5.896 -1.540
298 HZ PHE 35 HZ PHE 35 -3.233 4.001 -3.017
299 HA PRO 36 HA PRO 36 -0.178 -0.630 5.234
300 1HB PRO 36 HB2 PRO 36 0.998 -2.493 3.376
301 2HB PRO 36 HB1 PRO 36 -0.424 -2.718 4.405
302 1HG PRO 36 HG2 PRO 36 -0.369 -2.324 1.551
303 2HG PRO 36 HG1 PRO 36 -1.786 -2.534 2.588
304 1HD PRO 36 HD2 PRO 36 -0.904 -0.124 1.289
305 2HD PRO 36 HD1 PRO 36 -2.302 -0.329 2.363
306 H GLY 37 HN GLY 37 2.227 -2.112 4.888
307 1HA GLY 37 HA2 GLY 37 4.566 -1.867 4.582
308 2HA GLY 37 HA1 GLY 37 4.293 -0.270 3.892
309 H GLY 38 HN GLY 38 6.248 -0.964 5.886
310 1HA GLY 38 HA2 GLY 38 5.380 0.938 8.000
311 2HA GLY 38 HA1 GLY 38 6.041 -0.620 8.494
312 H LYS 39 HN LYS 39 8.014 -0.685 6.267
313 HA LYS 39 HA LYS 39 9.664 1.676 6.454
314 1HB LYS 39 HB2 LYS 39 9.743 0.138 8.734
315 2HB LYS 39 HB1 LYS 39 11.102 -0.505 7.812
316 1HG LYS 39 HG2 LYS 39 12.158 1.618 7.682
317 2HG LYS 39 HG1 LYS 39 10.695 2.464 8.185
318 1HD LYS 39 HD2 LYS 39 11.900 2.450 10.176
319 2HD LYS 39 HD1 LYS 39 10.946 0.976 10.351
320 1HE LYS 39 HE2 LYS 39 12.873 -0.295 9.332
321 2HE LYS 39 HE1 LYS 39 13.821 1.191 9.421
322 1HZ LYS 39 HZ1 LYS 39 13.219 1.220 11.851
323 2HZ LYS 39 HZ3 LYS 39 12.666 -0.371 11.655
324 3HZ LYS 39 HZ2 LYS 39 14.298 0.001 11.368
325 H ILE 40 HN ILE 40 11.789 1.338 5.398
326 HA ILE 40 HA ILE 40 11.966 -1.164 3.781
327 HB ILE 40 HB ILE 40 10.914 0.524 2.341
328 1HG1 ILE 40 HG12 ILE 40 13.844 -0.012 1.772
329 2HG1 ILE 40 HG11 ILE 40 12.462 -0.963 1.228
330 1HG2 ILE 40 HG21 ILE 40 12.150 2.389 3.792
331 2HG2 ILE 40 HG23 ILE 40 13.340 2.265 2.496
332 3HG2 ILE 40 HG22 ILE 40 11.672 2.699 2.123
333 1HD1 ILE 40 HD12 ILE 40 11.830 1.555 0.307
334 2HD1 ILE 40 HD11 ILE 40 13.582 1.516 0.113
335 3HD1 ILE 40 HD13 ILE 40 12.582 0.287 -0.661
336 H GLU 41 HN GLU 41 13.808 -1.907 4.872
337 HA GLU 41 HA GLU 41 16.036 -0.094 5.446
338 1HB GLU 41 HB2 GLU 41 15.734 -3.098 5.713
339 2HB GLU 41 HB1 GLU 41 17.164 -2.200 6.224
340 1HG GLU 41 HG2 GLU 41 15.212 -0.735 7.424
341 2HG GLU 41 HG1 GLU 41 14.479 -2.339 7.467
342 H MET 42 HN MET 42 18.301 -1.371 4.826
343 HA MET 42 HA MET 42 19.813 -1.802 3.093
344 1HB MET 42 HB2 MET 42 17.294 -2.846 1.769
345 2HB MET 42 HB1 MET 42 18.916 -3.042 1.105
346 1HG MET 42 HG2 MET 42 19.537 -4.575 2.702
347 2HG MET 42 HG1 MET 42 18.516 -3.852 3.944
348 1HE MET 42 HE3 MET 42 18.673 -6.354 4.273
349 2HE MET 42 HE2 MET 42 17.014 -6.151 4.828
350 3HE MET 42 HE1 MET 42 17.414 -7.476 3.738
351 H GLY 43 HN GLY 43 17.332 -1.299 0.680
352 1HA GLY 43 HA2 GLY 43 16.764 0.866 -0.326
353 2HA GLY 43 HA1 GLY 43 18.274 1.500 0.313
354 H GLU 44 HN GLU 44 18.044 -1.601 -1.243
355 HA GLU 44 HA GLU 44 20.110 -0.831 -3.160
356 1HB GLU 44 HB2 GLU 44 19.043 -3.277 -2.111
357 2HB GLU 44 HB1 GLU 44 18.942 -3.332 -3.871
358 1HG GLU 44 HG2 GLU 44 21.116 -4.053 -3.625
359 2HG GLU 44 HG1 GLU 44 21.408 -2.314 -3.658
360 H THR 45 HN THR 45 16.979 -2.459 -3.814
361 HA THR 45 HA THR 45 16.544 -0.495 -5.992
362 HB THR 45 HB THR 45 16.385 -3.517 -6.163
363 HG1 THR 45 HG1 THR 45 18.274 -1.792 -6.688
364 1HG2 THR 45 HG21 THR 45 14.542 -1.907 -7.304
365 2HG2 THR 45 HG23 THR 45 15.801 -1.822 -8.528
366 3HG2 THR 45 HG22 THR 45 15.122 -3.381 -8.067
367 HA PRO 46 HA PRO 46 12.560 -0.017 -4.268
368 1HB PRO 46 HB2 PRO 46 11.272 0.208 -6.827
369 2HB PRO 46 HB1 PRO 46 11.755 1.510 -5.732
370 1HG PRO 46 HG2 PRO 46 13.029 0.676 -8.220
371 2HG PRO 46 HG1 PRO 46 13.384 2.084 -7.226
372 1HD PRO 46 HD2 PRO 46 15.009 -0.184 -7.499
373 2HD PRO 46 HD1 PRO 46 15.188 1.092 -6.288
374 H GLU 47 HN GLU 47 13.346 -2.683 -6.265
375 HA GLU 47 HA GLU 47 10.648 -3.889 -5.952
376 1HB GLU 47 HB2 GLU 47 12.901 -4.168 -7.834
377 2HB GLU 47 HB1 GLU 47 12.172 -5.692 -7.344
378 1HG GLU 47 HG2 GLU 47 10.938 -4.981 -9.265
379 2HG GLU 47 HG1 GLU 47 9.908 -4.633 -7.876
380 H GLN 48 HN GLN 48 14.043 -4.282 -5.180
381 HA GLN 48 HA GLN 48 13.973 -6.820 -3.940
382 1HB GLN 48 HB2 GLN 48 15.816 -4.680 -4.335
383 2HB GLN 48 HB1 GLN 48 15.820 -5.084 -2.618
384 1HG GLN 48 HG2 GLN 48 16.352 -7.345 -3.048
385 2HG GLN 48 HG1 GLN 48 15.987 -7.180 -4.765
386 1HE2 GLN 48 HE22 GLN 48 19.285 -6.247 -5.548
387 2HE2 GLN 48 HE21 GLN 48 17.807 -6.897 -6.067
388 H ALA 49 HN ALA 49 13.811 -3.600 -2.656
389 HA ALA 49 HA ALA 49 13.594 -3.928 0.020
390 1HB ALA 49 HB3 ALA 49 12.141 -2.112 -1.849
391 2HB ALA 49 HB2 ALA 49 11.643 -2.133 -0.159
392 3HB ALA 49 HB1 ALA 49 13.303 -1.715 -0.584
393 H VAL 50 HN VAL 50 10.652 -4.072 -2.030
394 HA VAL 50 HA VAL 50 9.085 -5.238 0.098
395 HB VAL 50 HB VAL 50 8.341 -3.914 -2.002
396 1HG1 VAL 50 HG12 VAL 50 9.462 -5.851 -3.423
397 2HG1 VAL 50 HG11 VAL 50 7.894 -6.621 -3.187
398 3HG1 VAL 50 HG13 VAL 50 7.994 -5.056 -3.993
399 1HG2 VAL 50 HG23 VAL 50 7.033 -5.443 -0.189
400 2HG2 VAL 50 HG22 VAL 50 6.226 -4.520 -1.457
401 3HG2 VAL 50 HG21 VAL 50 6.558 -6.236 -1.690
402 H VAL 51 HN VAL 51 11.026 -6.511 -2.519
403 HA VAL 51 HA VAL 51 10.115 -9.085 -2.873
404 HB VAL 51 HB VAL 51 12.418 -7.740 -3.505
405 1HG1 VAL 51 HG11 VAL 51 13.142 -9.923 -1.540
406 2HG1 VAL 51 HG13 VAL 51 14.251 -9.356 -2.784
407 3HG1 VAL 51 HG12 VAL 51 13.687 -8.251 -1.541
408 1HG2 VAL 51 HG22 VAL 51 11.070 -10.052 -4.210
409 2HG2 VAL 51 HG21 VAL 51 12.417 -9.312 -5.078
410 3HG2 VAL 51 HG23 VAL 51 12.722 -10.584 -3.896
411 H ARG 52 HN ARG 52 12.361 -8.122 -0.316
412 HA ARG 52 HA ARG 52 12.227 -10.557 1.121
413 1HB ARG 52 HB2 ARG 52 13.995 -9.478 1.990
414 2HB ARG 52 HB1 ARG 52 13.507 -7.987 1.227
415 1HG ARG 52 HG2 ARG 52 12.007 -7.493 3.089
416 2HG ARG 52 HG1 ARG 52 12.485 -8.987 3.897
417 1HD ARG 52 HD2 ARG 52 14.644 -7.103 3.042
418 2HD ARG 52 HD1 ARG 52 13.684 -6.660 4.452
419 HE ARG 52 HE ARG 52 15.794 -8.391 4.660
420 1HH1 ARG 52 HH21 ARG 52 12.818 -8.064 6.076
421 2HH1 ARG 52 HH22 ARG 52 12.698 -9.689 6.661
422 1HH2 ARG 52 HH11 ARG 52 15.467 -10.809 4.903
423 2HH2 ARG 52 HH12 ARG 52 14.198 -11.242 5.999
424 H GLU 53 HN GLU 53 10.295 -7.563 1.175
425 HA GLU 53 HA GLU 53 8.884 -8.259 3.625
426 1HB GLU 53 HB2 GLU 53 8.355 -6.288 1.400
427 2HB GLU 53 HB1 GLU 53 7.216 -6.519 2.723
428 1HG GLU 53 HG2 GLU 53 9.650 -6.283 4.029
429 2HG GLU 53 HG1 GLU 53 9.786 -5.117 2.712
430 H LEU 54 HN LEU 54 8.841 -9.615 0.573
431 HA LEU 54 HA LEU 54 5.979 -10.163 0.407
432 1HB LEU 54 HB2 LEU 54 8.353 -10.641 -1.238
433 2HB LEU 54 HB1 LEU 54 7.260 -12.021 -1.216
434 HG LEU 54 HG LEU 54 6.420 -9.171 -1.823
435 1HD1 LEU 54 HD12 LEU 54 7.614 -11.262 -3.474
436 2HD1 LEU 54 HD11 LEU 54 6.041 -10.752 -4.080
437 3HD1 LEU 54 HD13 LEU 54 7.323 -9.565 -3.853
438 1HD2 LEU 54 HD21 LEU 54 4.702 -10.751 -0.827
439 2HD2 LEU 54 HD23 LEU 54 4.295 -10.148 -2.432
440 3HD2 LEU 54 HD22 LEU 54 4.931 -11.782 -2.239
441 H GLN 55 HN GLN 55 8.800 -12.337 0.764
442 HA GLN 55 HA GLN 55 7.069 -14.400 1.899
443 1HB GLN 55 HB2 GLN 55 10.087 -14.351 1.650
444 2HB GLN 55 HB1 GLN 55 9.088 -15.767 1.984
445 1HG GLN 55 HG2 GLN 55 8.061 -14.462 -0.354
446 2HG GLN 55 HG1 GLN 55 9.798 -14.697 -0.557
447 1HE2 GLN 55 HE22 GLN 55 9.475 -18.151 -1.105
448 2HE2 GLN 55 HE21 GLN 55 10.437 -16.758 -1.212
449 H GLU 56 HN GLU 56 9.150 -11.892 3.178
450 HA GLU 56 HA GLU 56 9.405 -13.200 5.783
451 1HB GLU 56 HB2 GLU 56 10.710 -11.370 6.429
452 2HB GLU 56 HB1 GLU 56 11.012 -11.467 4.696
453 1HG GLU 56 HG2 GLU 56 10.455 -9.262 4.708
454 2HG GLU 56 HG1 GLU 56 8.797 -9.861 4.758
455 H GLU 57 HN GLU 57 6.649 -12.364 4.548
456 HA GLU 57 HA GLU 57 5.685 -11.082 7.067
457 1HB GLU 57 HB2 GLU 57 5.503 -10.086 4.355
458 2HB GLU 57 HB1 GLU 57 3.893 -10.349 5.027
459 1HG GLU 57 HG2 GLU 57 4.390 -8.973 6.944
460 2HG GLU 57 HG1 GLU 57 6.088 -8.852 6.479
461 H VAL 58 HN VAL 58 4.254 -12.512 4.110
462 HA VAL 58 HA VAL 58 2.661 -14.293 5.915
463 HB VAL 58 HB VAL 58 0.768 -14.036 4.489
464 1HG1 VAL 58 HG13 VAL 58 2.065 -11.737 5.516
465 2HG1 VAL 58 HG12 VAL 58 1.306 -11.308 3.984
466 3HG1 VAL 58 HG11 VAL 58 0.339 -12.008 5.281
467 1HG2 VAL 58 HG22 VAL 58 2.832 -13.390 2.528
468 2HG2 VAL 58 HG21 VAL 58 1.255 -14.143 2.293
469 3HG2 VAL 58 HG23 VAL 58 1.388 -12.388 2.398
470 H GLY 59 HN GLY 59 4.598 -13.968 3.031
471 1HA GLY 59 HA2 GLY 59 5.888 -15.770 2.122
472 2HA GLY 59 HA1 GLY 59 4.751 -16.904 2.838
473 H ILE 60 HN ILE 60 4.569 -14.171 0.523
474 HA ILE 60 HA ILE 60 2.568 -15.722 -1.016
475 HB ILE 60 HB ILE 60 3.314 -13.117 -2.107
476 1HG1 ILE 60 HG12 ILE 60 2.470 -13.370 0.739
477 2HG1 ILE 60 HG11 ILE 60 3.764 -12.390 0.082
478 1HG2 ILE 60 HG22 ILE 60 1.246 -14.644 -2.464
479 2HG2 ILE 60 HG21 ILE 60 0.667 -13.970 -0.940
480 3HG2 ILE 60 HG23 ILE 60 0.968 -12.909 -2.318
481 1HD1 ILE 60 HD13 ILE 60 0.806 -11.965 -0.427
482 2HD1 ILE 60 HD12 ILE 60 1.797 -11.000 0.667
483 3HD1 ILE 60 HD11 ILE 60 2.114 -10.972 -1.068
484 H THR 61 HN THR 61 2.772 -15.381 -3.470
485 HA THR 61 HA THR 61 5.579 -15.488 -4.448
486 HB THR 61 HB THR 61 4.807 -17.821 -3.918
487 HG1 THR 61 HG1 THR 61 5.769 -18.492 -5.676
488 1HG2 THR 61 HG23 THR 61 2.396 -17.059 -4.508
489 2HG2 THR 61 HG22 THR 61 2.852 -17.445 -6.168
490 3HG2 THR 61 HG21 THR 61 2.882 -18.701 -4.929
491 HA PRO 62 HA PRO 62 1.864 -13.422 -6.843
492 1HB PRO 62 HB2 PRO 62 3.577 -11.073 -6.817
493 2HB PRO 62 HB1 PRO 62 1.914 -11.254 -6.233
494 1HG PRO 62 HG2 PRO 62 4.344 -11.188 -4.668
495 2HG PRO 62 HG1 PRO 62 2.681 -11.277 -4.086
496 1HD PRO 62 HD2 PRO 62 4.612 -13.318 -3.949
497 2HD PRO 62 HD1 PRO 62 2.863 -13.507 -3.703
498 H GLN 63 HN GLN 63 2.002 -13.947 -8.908
499 HA GLN 63 HA GLN 63 4.673 -14.070 -10.187
500 1HB GLN 63 HB2 GLN 63 2.113 -15.052 -11.426
501 2HB GLN 63 HB1 GLN 63 3.759 -15.636 -11.676
502 1HG GLN 63 HG2 GLN 63 3.828 -16.620 -9.479
503 2HG GLN 63 HG1 GLN 63 2.305 -15.852 -9.028
504 1HE2 GLN 63 HE22 GLN 63 1.721 -18.574 -12.016
505 2HE2 GLN 63 HE21 GLN 63 2.789 -17.273 -12.239
506 H HIS 64 HN HIS 64 2.080 -11.833 -10.082
507 HA HIS 64 HA HIS 64 3.076 -10.755 -12.682
508 1HB HIS 64 HB2 HIS 64 0.586 -11.911 -12.401
509 2HB HIS 64 HB1 HIS 64 0.245 -10.192 -12.204
510 HD1 HIS 64 HD1 HIS 64 0.412 -12.592 -14.782
511 HD2 HIS 64 HD2 HIS 64 1.866 -8.703 -14.421
512 HE1 HIS 64 HE1 HIS 64 0.845 -11.769 -17.138
513 H PHE 65 HN PHE 65 3.854 -9.836 -10.054
514 HA PHE 65 HA PHE 65 2.295 -7.426 -9.515
515 1HB PHE 65 HB2 PHE 65 3.984 -6.882 -7.870
516 2HB PHE 65 HB1 PHE 65 3.537 -8.562 -7.706
517 HD1 PHE 65 HD1 PHE 65 5.041 -10.363 -8.646
518 HD2 PHE 65 HD2 PHE 65 6.192 -6.226 -8.493
519 HE1 PHE 65 HE1 PHE 65 7.415 -11.009 -8.972
520 HE2 PHE 65 HE2 PHE 65 8.563 -6.874 -8.820
521 HZ PHE 65 HZ PHE 65 9.175 -9.264 -9.054
522 H SER 66 HN SER 66 3.420 -5.355 -9.400
523 HA SER 66 HA SER 66 5.654 -4.796 -11.175
524 1HB SER 66 HB2 SER 66 2.934 -3.770 -12.037
525 2HB SER 66 HB1 SER 66 4.469 -3.531 -12.867
526 HG SER 66 HG SER 66 3.353 -5.231 -13.827
527 H LEU 67 HN LEU 67 6.452 -2.646 -10.752
528 HA LEU 67 HA LEU 67 5.370 -1.442 -8.335
529 1HB LEU 67 HB2 LEU 67 7.760 -1.235 -8.724
530 2HB LEU 67 HB1 LEU 67 7.471 -0.412 -10.261
531 HG LEU 67 HG LEU 67 6.196 1.364 -8.977
532 1HD1 LEU 67 HD12 LEU 67 6.544 -0.540 -6.883
533 2HD1 LEU 67 HD11 LEU 67 7.448 0.907 -6.436
534 3HD1 LEU 67 HD13 LEU 67 5.728 1.022 -6.805
535 1HD2 LEU 67 HD21 LEU 67 8.884 1.122 -9.469
536 2HD2 LEU 67 HD23 LEU 67 8.131 2.566 -8.795
537 3HD2 LEU 67 HD22 LEU 67 8.881 1.381 -7.725
538 H PHE 68 HN PHE 68 3.315 -0.694 -8.678
539 HA PHE 68 HA PHE 68 2.185 0.488 -10.910
540 1HB PHE 68 HB2 PHE 68 0.690 0.246 -9.153
541 2HB PHE 68 HB1 PHE 68 1.822 0.847 -7.958
542 HD1 PHE 68 HD1 PHE 68 0.848 2.408 -11.202
543 HD2 PHE 68 HD2 PHE 68 0.624 2.590 -6.917
544 HE1 PHE 68 HE1 PHE 68 -0.166 4.664 -11.349
545 HE2 PHE 68 HE2 PHE 68 -0.394 4.841 -7.068
546 HZ PHE 68 HZ PHE 68 -0.774 5.874 -9.279
547 H GLU 69 HN GLU 69 3.093 2.617 -8.260
548 HA GLU 69 HA GLU 69 4.818 4.258 -10.012
549 1HB GLU 69 HB2 GLU 69 2.047 5.004 -9.200
550 2HB GLU 69 HB1 GLU 69 3.272 6.272 -9.126
551 1HG GLU 69 HG2 GLU 69 3.915 5.661 -11.495
552 2HG GLU 69 HG1 GLU 69 2.499 4.610 -11.537
553 H LYS 70 HN LYS 70 5.807 6.091 -8.732
554 HA LYS 70 HA LYS 70 5.755 5.571 -5.795
555 1HB LYS 70 HB2 LYS 70 7.725 4.445 -6.536
556 2HB LYS 70 HB1 LYS 70 8.167 5.772 -7.608
557 1HG LYS 70 HG2 LYS 70 8.882 7.132 -5.859
558 2HG LYS 70 HG1 LYS 70 7.869 6.312 -4.673
559 1HD LYS 70 HD2 LYS 70 10.094 5.607 -4.196
560 2HD LYS 70 HD1 LYS 70 9.346 4.255 -5.047
561 1HE LYS 70 HE2 LYS 70 11.278 4.406 -6.281
562 2HE LYS 70 HE1 LYS 70 10.310 5.582 -7.170
563 1HZ LYS 70 HZ2 LYS 70 11.642 6.667 -4.860
564 2HZ LYS 70 HZ1 LYS 70 12.709 6.079 -6.043
565 3HZ LYS 70 HZ3 LYS 70 11.565 7.264 -6.449
566 H LEU 71 HN LEU 71 4.931 7.472 -5.008
567 HA LEU 71 HA LEU 71 5.810 10.028 -6.252
568 1HB LEU 71 HB2 LEU 71 4.033 10.950 -4.576
569 2HB LEU 71 HB1 LEU 71 3.477 10.092 -6.008
570 HG LEU 71 HG LEU 71 3.121 8.067 -4.747
571 1HD1 LEU 71 HD12 LEU 71 4.629 9.564 -2.612
572 2HD1 LEU 71 HD11 LEU 71 3.522 8.262 -2.175
573 3HD1 LEU 71 HD13 LEU 71 4.903 7.931 -3.218
574 1HD2 LEU 71 HD23 LEU 71 1.481 10.056 -4.569
575 2HD2 LEU 71 HD22 LEU 71 1.318 8.771 -3.372
576 3HD2 LEU 71 HD21 LEU 71 2.126 10.278 -2.943
577 H GLU 72 HN GLU 72 5.623 11.756 -4.096
578 HA GLU 72 HA GLU 72 7.316 10.663 -1.932
579 1HB GLU 72 HB2 GLU 72 8.540 11.863 -4.105
580 2HB GLU 72 HB1 GLU 72 8.388 13.194 -2.957
581 1HG GLU 72 HG2 GLU 72 9.365 11.637 -1.198
582 2HG GLU 72 HG1 GLU 72 9.742 10.524 -2.513
583 H TYR 73 HN TYR 73 7.172 11.901 -0.024
584 HA TYR 73 HA TYR 73 5.525 14.384 -0.150
585 1HB TYR 73 HB2 TYR 73 4.072 12.443 0.487
586 2HB TYR 73 HB1 TYR 73 5.121 12.164 1.878
587 HD1 TYR 73 HD2 TYR 73 5.283 13.862 3.690
588 HD2 TYR 73 HD1 TYR 73 2.499 14.271 0.445
589 HE1 TYR 73 HE2 TYR 73 4.028 15.568 4.983
590 HE2 TYR 73 HE1 TYR 73 1.242 15.975 1.736
591 HH TYR 73 HH TYR 73 1.934 17.668 3.705
592 H GLU 74 HN GLU 74 5.950 15.840 1.627
593 HA GLU 74 HA GLU 74 8.200 15.104 3.427
594 1HB GLU 74 HB2 GLU 74 9.198 16.185 1.415
595 2HB GLU 74 HB1 GLU 74 8.185 17.600 1.698
596 1HG GLU 74 HG2 GLU 74 9.277 18.104 3.750
597 2HG GLU 74 HG1 GLU 74 10.042 16.517 3.819
598 H PHE 75 HN PHE 75 7.414 15.513 5.394
599 HA PHE 75 HA PHE 75 5.269 17.434 5.846
600 1HB PHE 75 HB2 PHE 75 6.756 15.367 7.363
601 2HB PHE 75 HB1 PHE 75 6.136 16.699 8.321
602 HD1 PHE 75 HD1 PHE 75 3.608 17.335 7.941
603 HD2 PHE 75 HD2 PHE 75 5.363 13.605 6.732
604 HE1 PHE 75 HE1 PHE 75 1.355 16.313 7.830
605 HE2 PHE 75 HE2 PHE 75 3.106 12.581 6.622
606 HZ PHE 75 HZ PHE 75 1.102 13.936 7.171
607 HA PRO 76 HA PRO 76 7.522 20.984 7.018
608 1HB PRO 76 HB2 PRO 76 6.743 21.136 9.797
609 2HB PRO 76 HB1 PRO 76 6.143 22.089 8.434
610 1HG PRO 76 HG2 PRO 76 4.749 20.016 9.831
611 2HG PRO 76 HG1 PRO 76 4.206 20.890 8.392
612 1HD PRO 76 HD2 PRO 76 5.119 18.151 8.584
613 2HD PRO 76 HD1 PRO 76 4.483 18.996 7.159
614 H ASP 77 HN ASP 77 8.164 18.058 8.617
615 HA ASP 77 HA ASP 77 10.840 19.015 9.278
616 1HB ASP 77 HB2 ASP 77 8.782 18.519 11.309
617 2HB ASP 77 HB1 ASP 77 10.315 17.702 11.619
618 H ARG 78 HN ARG 78 8.824 16.441 8.321
619 HA ARG 78 HA ARG 78 11.113 14.588 8.614
620 1HB ARG 78 HB2 ARG 78 8.905 12.963 8.592
621 2HB ARG 78 HB1 ARG 78 9.785 13.454 10.027
622 1HG ARG 78 HG2 ARG 78 8.214 15.070 10.612
623 2HG ARG 78 HG1 ARG 78 7.608 15.210 8.964
624 1HD ARG 78 HD2 ARG 78 6.615 12.964 9.124
625 2HD ARG 78 HD1 ARG 78 7.237 12.799 10.766
626 HE ARG 78 HE ARG 78 4.770 13.880 10.297
627 1HH1 ARG 78 HH21 ARG 78 6.889 14.251 12.689
628 2HH1 ARG 78 HH22 ARG 78 6.564 15.914 13.050
629 1HH2 ARG 78 HH11 ARG 78 4.723 16.452 10.161
630 2HH2 ARG 78 HH12 ARG 78 5.336 17.161 11.618
631 H HIS 79 HN HIS 79 10.566 12.566 7.103
632 HA HIS 79 HA HIS 79 9.508 13.641 4.520
633 1HB HIS 79 HB2 HIS 79 11.795 11.674 4.772
634 2HB HIS 79 HB1 HIS 79 11.260 12.521 3.322
635 HD1 HIS 79 HD1 HIS 79 13.568 12.805 6.138
636 HD2 HIS 79 HD2 HIS 79 11.692 15.462 3.530
637 HE1 HIS 79 HE1 HIS 79 14.818 15.000 6.329
638 H ILE 80 HN ILE 80 8.727 11.879 3.060
639 HA ILE 80 HA ILE 80 8.140 9.310 4.394
640 HB ILE 80 HB ILE 80 5.984 11.218 3.447
641 1HG1 ILE 80 HG12 ILE 80 6.942 11.616 5.730
642 2HG1 ILE 80 HG11 ILE 80 5.245 11.136 5.773
643 1HG2 ILE 80 HG22 ILE 80 5.975 8.458 3.229
644 2HG2 ILE 80 HG21 ILE 80 5.184 8.731 4.781
645 3HG2 ILE 80 HG23 ILE 80 4.538 9.478 3.320
646 1HD1 ILE 80 HD13 ILE 80 6.885 8.775 5.795
647 2HD1 ILE 80 HD12 ILE 80 7.433 9.871 7.064
648 3HD1 ILE 80 HD11 ILE 80 5.752 9.339 7.024
649 H THR 81 HN THR 81 9.682 8.825 2.528
650 HA THR 81 HA THR 81 8.551 9.050 -0.171
651 HB THR 81 HB THR 81 11.007 7.638 0.918
652 HG1 THR 81 HG1 THR 81 11.976 9.296 -0.430
653 1HG2 THR 81 HG21 THR 81 9.769 7.658 -1.819
654 2HG2 THR 81 HG23 THR 81 11.521 7.554 -1.644
655 3HG2 THR 81 HG22 THR 81 10.489 6.312 -0.935
656 H LEU 82 HN LEU 82 7.410 7.429 -1.243
657 HA LEU 82 HA LEU 82 7.120 4.825 0.199
658 1HB LEU 82 HB2 LEU 82 5.187 6.535 0.478
659 2HB LEU 82 HB1 LEU 82 4.805 6.151 -1.200
660 HG LEU 82 HG LEU 82 4.827 3.695 -0.507
661 1HD1 LEU 82 HD13 LEU 82 5.541 4.994 2.000
662 2HD1 LEU 82 HD12 LEU 82 4.113 3.976 2.185
663 3HD1 LEU 82 HD11 LEU 82 5.615 3.285 1.570
664 1HD2 LEU 82 HD21 LEU 82 2.836 5.787 0.165
665 2HD2 LEU 82 HD23 LEU 82 2.646 4.322 -0.800
666 3HD2 LEU 82 HD22 LEU 82 2.590 4.231 0.961
667 H TRP 83 HN TRP 83 6.688 3.016 -1.140
668 HA TRP 83 HA TRP 83 6.989 3.505 -4.079
669 1HB TRP 83 HB2 TRP 83 7.896 0.892 -2.983
670 2HB TRP 83 HB1 TRP 83 8.584 1.864 -4.282
671 HD1 TRP 83 HD1 TRP 83 8.193 2.183 -0.438
672 HE1 TRP 83 HE1 TRP 83 10.373 3.188 0.502
673 HE3 TRP 83 HE3 TRP 83 10.814 2.833 -4.777
674 HZ2 TRP 83 HZ2 TRP 83 12.896 4.137 -0.461
675 HZ3 TRP 83 HZ3 TRP 83 13.104 3.784 -4.732
676 HH2 TRP 83 HH2 TRP 83 14.146 4.436 -2.581
677 H PHE 84 HN PHE 84 4.984 3.072 -4.903
678 HA PHE 84 HA PHE 84 3.185 1.173 -3.600
679 1HB PHE 84 HB2 PHE 84 3.019 2.724 -6.197
680 2HB PHE 84 HB1 PHE 84 1.758 1.625 -5.658
681 HD1 PHE 84 HD2 PHE 84 3.868 4.173 -3.854
682 HD2 PHE 84 HD1 PHE 84 -0.067 2.819 -4.917
683 HE1 PHE 84 HE2 PHE 84 2.870 5.983 -2.480
684 HE2 PHE 84 HE1 PHE 84 -1.060 4.631 -3.552
685 HZ PHE 84 HZ PHE 84 0.403 6.212 -2.335
686 H TRP 85 HN TRP 85 4.385 -0.893 -3.804
687 HA TRP 85 HA TRP 85 4.906 -1.750 -6.583
688 1HB TRP 85 HB2 TRP 85 6.301 -3.352 -5.747
689 2HB TRP 85 HB1 TRP 85 6.303 -2.294 -4.345
690 HD1 TRP 85 HD1 TRP 85 4.359 -2.950 -2.444
691 HE1 TRP 85 HE1 TRP 85 3.705 -5.308 -1.616
692 HE3 TRP 85 HE3 TRP 85 6.156 -5.773 -6.295
693 HZ2 TRP 85 HZ2 TRP 85 3.918 -8.022 -2.471
694 HZ3 TRP 85 HZ3 TRP 85 5.924 -8.240 -6.261
695 HH2 TRP 85 HH2 TRP 85 4.808 -9.368 -4.356
696 H LEU 86 HN LEU 86 2.693 -1.443 -7.081
697 HA LEU 86 HA LEU 86 0.528 -2.904 -5.946
698 1HB LEU 86 HB2 LEU 86 0.535 -0.804 -7.442
699 2HB LEU 86 HB1 LEU 86 0.664 -1.922 -8.796
700 HG LEU 86 HG LEU 86 -1.448 -2.893 -8.333
701 1HD1 LEU 86 HD13 LEU 86 -1.099 -1.607 -5.641
702 2HD1 LEU 86 HD12 LEU 86 -2.700 -2.075 -6.212
703 3HD1 LEU 86 HD11 LEU 86 -1.441 -3.295 -6.021
704 1HD2 LEU 86 HD23 LEU 86 -1.440 0.094 -7.866
705 2HD2 LEU 86 HD22 LEU 86 -1.815 -0.770 -9.357
706 3HD2 LEU 86 HD21 LEU 86 -2.943 -0.817 -8.002
707 H VAL 87 HN VAL 87 -0.238 -4.927 -6.327
708 HA VAL 87 HA VAL 87 0.640 -6.383 -8.767
709 HB VAL 87 HB VAL 87 2.292 -7.022 -7.072
710 1HG1 VAL 87 HG13 VAL 87 0.003 -6.913 -5.363
711 2HG1 VAL 87 HG12 VAL 87 0.709 -8.528 -5.273
712 3HG1 VAL 87 HG11 VAL 87 1.699 -7.111 -4.920
713 1HG2 VAL 87 HG23 VAL 87 1.360 -8.746 -8.675
714 2HG2 VAL 87 HG22 VAL 87 1.997 -9.426 -7.180
715 3HG2 VAL 87 HG21 VAL 87 0.258 -9.246 -7.396
716 H GLU 88 HN GLU 88 -0.661 -8.529 -8.926
717 HA GLU 88 HA GLU 88 -3.221 -8.356 -7.437
718 1HB GLU 88 HB2 GLU 88 -3.344 -8.736 -10.407
719 2HB GLU 88 HB1 GLU 88 -4.580 -8.126 -9.307
720 1HG GLU 88 HG2 GLU 88 -3.431 -6.030 -9.047
721 2HG GLU 88 HG1 GLU 88 -2.003 -6.644 -9.881
722 H ARG 89 HN ARG 89 -0.887 -10.326 -9.131
723 HA ARG 89 HA ARG 89 -2.671 -12.679 -8.742
724 1HB ARG 89 HB2 ARG 89 -0.840 -11.877 -10.849
725 2HB ARG 89 HB1 ARG 89 -0.418 -13.466 -10.209
726 1HG ARG 89 HG2 ARG 89 -2.002 -14.067 -11.781
727 2HG ARG 89 HG1 ARG 89 -3.028 -13.857 -10.362
728 1HD ARG 89 HD2 ARG 89 -3.698 -11.665 -11.064
729 2HD ARG 89 HD1 ARG 89 -2.474 -11.630 -12.333
730 HE ARG 89 HE ARG 89 -5.012 -12.476 -12.868
731 1HH1 ARG 89 HH21 ARG 89 -3.919 -15.158 -11.785
732 2HH1 ARG 89 HH22 ARG 89 -3.482 -15.939 -13.268
733 1HH2 ARG 89 HH11 ARG 89 -3.619 -13.025 -15.147
734 2HH2 ARG 89 HH12 ARG 89 -3.312 -14.730 -15.172
735 H TRP 90 HN TRP 90 -1.923 -14.386 -7.461
736 HA TRP 90 HA TRP 90 0.767 -14.804 -6.715
737 1HB TRP 90 HB2 TRP 90 1.003 -13.828 -4.577
738 2HB TRP 90 HB1 TRP 90 0.327 -12.553 -5.572
739 HD1 TRP 90 HD1 TRP 90 -0.510 -14.900 -2.718
740 HE1 TRP 90 HE1 TRP 90 -2.713 -14.161 -1.614
741 HE3 TRP 90 HE3 TRP 90 -2.029 -11.336 -6.079
742 HZ2 TRP 90 HZ2 TRP 90 -4.838 -12.344 -2.094
743 HZ3 TRP 90 HZ3 TRP 90 -4.179 -10.131 -5.709
744 HH2 TRP 90 HH2 TRP 90 -5.559 -10.644 -3.724
745 H GLU 91 HN GLU 91 0.725 -15.819 -4.329
746 HA GLU 91 HA GLU 91 -1.624 -17.578 -4.033
747 1HB GLU 91 HB2 GLU 91 0.258 -18.461 -5.604
748 2HB GLU 91 HB1 GLU 91 1.139 -18.727 -4.101
749 1HG GLU 91 HG2 GLU 91 -0.453 -20.233 -3.280
750 2HG GLU 91 HG1 GLU 91 -1.691 -19.674 -4.404
751 H GLY 92 HN GLY 92 -1.848 -16.379 -1.983
752 1HA GLY 92 HA2 GLY 92 -0.812 -17.642 0.278
753 2HA GLY 92 HA1 GLY 92 0.312 -16.326 -0.057
754 H GLU 93 HN GLU 93 -0.382 -15.326 1.965
755 HA GLU 93 HA GLU 93 -3.078 -14.106 1.789
756 1HB GLU 93 HB2 GLU 93 -2.213 -13.824 4.415
757 2HB GLU 93 HB1 GLU 93 -3.352 -15.020 3.822
758 1HG GLU 93 HG2 GLU 93 -1.393 -16.526 3.320
759 2HG GLU 93 HG1 GLU 93 -0.372 -15.365 4.159
760 HA PRO 94 HA PRO 94 -0.563 -10.490 0.714
761 1HB PRO 94 HB2 PRO 94 -3.178 -9.244 1.388
762 2HB PRO 94 HB1 PRO 94 -2.206 -9.076 -0.073
763 1HG PRO 94 HG2 PRO 94 -4.486 -10.656 0.118
764 2HG PRO 94 HG1 PRO 94 -3.234 -10.846 -1.112
765 1HD PRO 94 HD2 PRO 94 -3.887 -12.627 1.079
766 2HD PRO 94 HD1 PRO 94 -2.711 -12.872 -0.227
767 H TRP 95 HN TRP 95 0.730 -9.357 2.091
768 HA TRP 95 HA TRP 95 -0.147 -8.898 4.898
769 1HB TRP 95 HB2 TRP 95 2.420 -8.248 5.036
770 2HB TRP 95 HB1 TRP 95 1.953 -9.931 5.064
771 HD1 TRP 95 HD1 TRP 95 3.012 -11.424 3.288
772 HE1 TRP 95 HE1 TRP 95 4.352 -11.035 1.126
773 HE3 TRP 95 HE3 TRP 95 2.623 -6.341 2.903
774 HZ2 TRP 95 HZ2 TRP 95 5.141 -8.852 -0.557
775 HZ3 TRP 95 HZ3 TRP 95 3.689 -5.145 1.001
776 HH2 TRP 95 HH2 TRP 95 4.937 -6.400 -0.717
777 H GLY 96 HN GLY 96 1.569 -6.805 5.483
778 1HA GLY 96 HA2 GLY 96 2.013 -4.692 3.889
779 2HA GLY 96 HA1 GLY 96 0.266 -4.590 4.078
780 H LYS 97 HN LYS 97 3.323 -4.245 5.710
781 HA LYS 97 HA LYS 97 3.920 -3.305 7.730
782 1HB LYS 97 HB2 LYS 97 2.540 -1.461 6.818
783 2HB LYS 97 HB1 LYS 97 1.130 -2.185 7.578
784 1HG LYS 97 HG2 LYS 97 2.301 -2.051 9.773
785 2HG LYS 97 HG1 LYS 97 3.623 -1.202 8.973
786 1HD LYS 97 HD2 LYS 97 1.471 0.264 8.132
787 2HD LYS 97 HD1 LYS 97 0.951 -0.211 9.751
788 1HE LYS 97 HE2 LYS 97 3.360 1.401 8.942
789 2HE LYS 97 HE1 LYS 97 2.143 1.766 10.166
790 1HZ LYS 97 HZ3 LYS 97 3.157 -0.553 11.060
791 2HZ LYS 97 HZ2 LYS 97 4.533 0.158 10.361
792 3HZ LYS 97 HZ1 LYS 97 3.674 0.979 11.574
793 H GLU 98 HN GLU 98 4.105 -4.924 9.234
794 HA GLU 98 HA GLU 98 1.877 -6.510 10.149
795 1HB GLU 98 HB2 GLU 98 4.058 -7.482 10.327
796 2HB GLU 98 HB1 GLU 98 4.679 -6.087 11.212
797 1HG GLU 98 HG2 GLU 98 3.496 -6.647 13.172
798 2HG GLU 98 HG1 GLU 98 2.387 -7.711 12.306
799 H GLY 99 HN GLY 99 0.229 -5.439 11.179
800 1HA GLY 99 HA2 GLY 99 -0.194 -4.759 13.635
801 2HA GLY 99 HA1 GLY 99 0.966 -3.472 13.305
802 H GLN 100 HN GLN 100 -0.372 -3.671 10.441
803 HA GLN 100 HA GLN 100 -2.460 -1.654 11.098
804 1HB GLN 100 HB2 GLN 100 -0.438 -1.725 9.151
805 2HB GLN 100 HB1 GLN 100 -1.941 -1.992 8.267
806 1HG GLN 100 HG2 GLN 100 -2.906 0.026 9.090
807 2HG GLN 100 HG1 GLN 100 -1.650 0.213 10.314
808 1HE2 GLN 100 HE22 GLN 100 -0.043 0.638 6.596
809 2HE2 GLN 100 HE21 GLN 100 -0.793 -0.815 7.052
810 HA PRO 101 HA PRO 101 -5.236 -5.122 10.343
811 1HB PRO 101 HB2 PRO 101 -7.439 -3.349 10.823
812 2HB PRO 101 HB1 PRO 101 -6.788 -4.584 11.908
813 1HG PRO 101 HG2 PRO 101 -6.546 -1.715 12.146
814 2HG PRO 101 HG1 PRO 101 -5.934 -2.953 13.249
815 1HD PRO 101 HD2 PRO 101 -4.419 -1.303 11.444
816 2HD PRO 101 HD1 PRO 101 -3.809 -2.574 12.525
817 H GLY 102 HN GLY 102 -4.821 -5.115 8.011
818 1HA GLY 102 HA2 GLY 102 -6.247 -3.120 6.391
819 2HA GLY 102 HA1 GLY 102 -5.210 -4.389 5.756
820 H GLU 103 HN GLU 103 -7.488 -4.242 4.353
821 HA GLU 103 HA GLU 103 -8.890 -6.692 5.184
822 1HB GLU 103 HB2 GLU 103 -11.149 -5.563 5.135
823 2HB GLU 103 HB1 GLU 103 -10.144 -5.146 6.522
824 1HG GLU 103 HG2 GLU 103 -9.428 -3.075 5.394
825 2HG GLU 103 HG1 GLU 103 -10.425 -3.488 3.998
826 H TRP 104 HN TRP 104 -10.862 -7.013 3.608
827 HA TRP 104 HA TRP 104 -9.765 -6.740 0.891
828 1HB TRP 104 HB2 TRP 104 -12.322 -8.093 1.797
829 2HB TRP 104 HB1 TRP 104 -11.505 -8.307 0.249
830 HD1 TRP 104 HD1 TRP 104 -8.630 -8.158 2.150
831 HE1 TRP 104 HE1 TRP 104 -7.857 -10.429 3.091
832 HE3 TRP 104 HE3 TRP 104 -12.954 -10.838 1.665
833 HZ2 TRP 104 HZ2 TRP 104 -8.926 -13.035 3.576
834 HZ3 TRP 104 HZ3 TRP 104 -13.046 -13.211 2.374
835 HH2 TRP 104 HH2 TRP 104 -11.040 -14.312 3.328
836 H MET 105 HN MET 105 -10.212 -4.836 -0.133
837 HA MET 105 HA MET 105 -12.847 -3.542 0.342
838 1HB MET 105 HB2 MET 105 -10.977 -2.042 0.657
839 2HB MET 105 HB1 MET 105 -10.264 -2.533 -0.879
840 1HG MET 105 HG2 MET 105 -11.853 -1.382 -2.140
841 2HG MET 105 HG1 MET 105 -13.040 -1.393 -0.835
842 1HE MET 105 HE2 MET 105 -9.268 -0.541 -1.102
843 2HE MET 105 HE1 MET 105 -10.005 0.284 -2.473
844 3HE MET 105 HE3 MET 105 -9.277 1.220 -1.162
845 H SER 106 HN SER 106 -14.250 -3.160 -1.417
846 HA SER 106 HA SER 106 -13.993 -4.994 -3.649
847 1HB SER 106 HB2 SER 106 -16.046 -3.353 -2.497
848 2HB SER 106 HB1 SER 106 -15.955 -3.014 -4.223
849 HG SER 106 HG SER 106 -15.782 -5.506 -4.248
850 H LEU 107 HN LEU 107 -13.113 -4.610 -5.625
851 HA LEU 107 HA LEU 107 -12.206 -1.823 -6.198
852 1HB LEU 107 HB2 LEU 107 -10.370 -3.417 -6.136
853 2HB LEU 107 HB1 LEU 107 -11.221 -4.494 -7.247
854 HG LEU 107 HG LEU 107 -11.175 -1.974 -8.512
855 1HD1 LEU 107 HD13 LEU 107 -8.801 -2.461 -6.826
856 2HD1 LEU 107 HD12 LEU 107 -8.439 -2.088 -8.511
857 3HD1 LEU 107 HD11 LEU 107 -9.385 -0.959 -7.542
858 1HD2 LEU 107 HD23 LEU 107 -9.714 -4.591 -8.871
859 2HD2 LEU 107 HD22 LEU 107 -11.056 -3.944 -9.815
860 3HD2 LEU 107 HD21 LEU 107 -9.447 -3.242 -9.975
861 H VAL 108 HN VAL 108 -14.781 -1.963 -6.737
862 HA VAL 108 HA VAL 108 -15.308 -3.017 -9.430
863 HB VAL 108 HB VAL 108 -16.999 -1.221 -7.654
864 1HG1 VAL 108 HG11 VAL 108 -17.284 -1.803 -10.360
865 2HG1 VAL 108 HG13 VAL 108 -18.340 -2.975 -9.571
866 3HG1 VAL 108 HG12 VAL 108 -18.565 -1.249 -9.283
867 1HG2 VAL 108 HG21 VAL 108 -16.616 -4.185 -7.851
868 2HG2 VAL 108 HG23 VAL 108 -16.888 -3.187 -6.424
869 3HG2 VAL 108 HG22 VAL 108 -18.230 -3.570 -7.502
870 H GLY 109 HN GLY 109 -14.156 -0.140 -7.987
871 1HA GLY 109 HA2 GLY 109 -13.399 1.104 -10.417
872 2HA GLY 109 HA1 GLY 109 -14.926 1.828 -9.896
873 H LEU 110 HN LEU 110 -12.122 0.624 -8.063
874 HA LEU 110 HA LEU 110 -12.103 2.259 -5.911
875 1HB LEU 110 HB2 LEU 110 -10.147 0.753 -7.327
876 2HB LEU 110 HB1 LEU 110 -9.422 2.298 -6.897
877 HG LEU 110 HG LEU 110 -10.694 0.274 -5.054
878 1HD1 LEU 110 HD11 LEU 110 -7.946 1.480 -5.396
879 2HD1 LEU 110 HD13 LEU 110 -8.422 0.685 -3.896
880 3HD1 LEU 110 HD12 LEU 110 -8.400 -0.223 -5.408
881 1HD2 LEU 110 HD21 LEU 110 -10.137 3.206 -4.675
882 2HD2 LEU 110 HD23 LEU 110 -11.524 2.262 -4.133
883 3HD2 LEU 110 HD22 LEU 110 -9.975 2.105 -3.306
884 H ASN 111 HN ASN 111 -11.543 4.379 -5.398
885 HA ASN 111 HA ASN 111 -10.538 6.166 -7.526
886 1HB ASN 111 HB2 ASN 111 -13.288 5.966 -6.965
887 2HB ASN 111 HB1 ASN 111 -12.752 7.431 -6.145
888 1HD2 ASN 111 HD22 ASN 111 -12.871 9.176 -9.200
889 2HD2 ASN 111 HD21 ASN 111 -13.239 9.149 -7.544
890 H ALA 112 HN ALA 112 -10.645 8.559 -6.326
891 HA ALA 112 HA ALA 112 -8.889 8.216 -4.007
892 1HB ALA 112 HB1 ALA 112 -9.071 10.122 -5.965
893 2HB ALA 112 HB3 ALA 112 -9.892 10.925 -4.628
894 3HB ALA 112 HB2 ALA 112 -8.234 10.358 -4.432
895 H ASP 113 HN ASP 113 -12.115 7.954 -4.260
896 HA ASP 113 HA ASP 113 -13.057 9.712 -2.180
897 1HB ASP 113 HB2 ASP 113 -14.299 8.379 -4.115
898 2HB ASP 113 HB1 ASP 113 -14.467 7.172 -2.846
899 H ASP 114 HN ASP 114 -12.333 6.211 -2.299
900 HA ASP 114 HA ASP 114 -12.767 5.940 0.581
901 1HB ASP 114 HB2 ASP 114 -12.517 4.178 -1.654
902 2HB ASP 114 HB1 ASP 114 -11.271 3.743 -0.484
903 H PHE 115 HN PHE 115 -10.208 6.926 -1.450
904 HA PHE 115 HA PHE 115 -8.208 6.281 0.657
905 1HB PHE 115 HB2 PHE 115 -8.087 6.736 -2.267
906 2HB PHE 115 HB1 PHE 115 -6.731 7.368 -1.331
907 HD1 PHE 115 HD1 PHE 115 -5.361 5.864 0.080
908 HD2 PHE 115 HD2 PHE 115 -8.466 4.356 -2.477
909 HE1 PHE 115 HE1 PHE 115 -4.417 3.582 0.279
910 HE2 PHE 115 HE2 PHE 115 -7.522 2.071 -2.277
911 HZ PHE 115 HZ PHE 115 -5.493 1.689 -0.902
912 HA PRO 116 HA PRO 116 -8.532 10.464 2.067
913 1HB PRO 116 HB2 PRO 116 -5.960 10.286 3.324
914 2HB PRO 116 HB1 PRO 116 -7.544 10.142 4.087
915 1HG PRO 116 HG2 PRO 116 -5.617 8.053 3.593
916 2HG PRO 116 HG1 PRO 116 -7.195 7.910 4.375
917 1HD PRO 116 HD2 PRO 116 -6.441 7.004 1.747
918 2HD PRO 116 HD1 PRO 116 -8.023 6.862 2.535
919 HA PRO 117 HA PRO 117 -6.256 12.911 -0.772
920 1HB PRO 117 HB2 PRO 117 -5.517 14.946 1.122
921 2HB PRO 117 HB1 PRO 117 -6.830 14.986 -0.061
922 1HG PRO 117 HG2 PRO 117 -7.042 14.684 2.801
923 2HG PRO 117 HG1 PRO 117 -8.353 14.747 1.616
924 1HD PRO 117 HD2 PRO 117 -7.428 12.455 3.083
925 2HD PRO 117 HD1 PRO 117 -8.704 12.509 1.850
926 H ALA 118 HN ALA 118 -4.044 14.392 -0.635
927 HA ALA 118 HA ALA 118 -1.721 14.437 -0.221
928 1HB ALA 118 HB1 ALA 118 -2.652 13.499 2.139
929 2HB ALA 118 HB3 ALA 118 -1.771 12.076 1.582
930 3HB ALA 118 HB2 ALA 118 -0.932 13.615 1.767
931 H ASN 119 HN ASN 119 -3.520 11.997 -1.565
932 HA ASN 119 HA ASN 119 -1.071 10.674 -2.617
933 1HB ASN 119 HB2 ASN 119 -3.389 9.556 -1.186
934 2HB ASN 119 HB1 ASN 119 -2.968 8.716 -2.665
935 1HD2 ASN 119 HD22 ASN 119 -0.369 8.664 0.495
936 2HD2 ASN 119 HD21 ASN 119 -1.644 9.780 0.464
937 H GLU 120 HN GLU 120 -2.255 12.748 -3.978
938 HA GLU 120 HA GLU 120 -4.320 11.869 -5.795
939 1HB GLU 120 HB2 GLU 120 -2.482 14.262 -5.777
940 2HB GLU 120 HB1 GLU 120 -3.723 14.011 -7.005
941 1HG GLU 120 HG2 GLU 120 -4.727 13.640 -4.275
942 2HG GLU 120 HG1 GLU 120 -4.114 15.268 -4.568
943 HA PRO 121 HA PRO 121 -0.549 11.746 -8.878
944 1HB PRO 121 HB2 PRO 121 1.707 10.751 -7.413
945 2HB PRO 121 HB1 PRO 121 1.540 12.312 -8.228
946 1HG PRO 121 HG2 PRO 121 1.574 11.816 -5.397
947 2HG PRO 121 HG1 PRO 121 1.353 13.367 -6.219
948 1HD PRO 121 HD2 PRO 121 -0.633 11.759 -4.846
949 2HD PRO 121 HD1 PRO 121 -0.832 13.373 -5.561
950 H VAL 122 HN VAL 122 -0.999 9.467 -6.218
951 HA VAL 122 HA VAL 122 -0.392 7.219 -8.064
952 HB VAL 122 HB VAL 122 -0.844 6.017 -5.698
953 1HG1 VAL 122 HG13 VAL 122 1.500 7.093 -7.104
954 2HG1 VAL 122 HG12 VAL 122 1.773 6.765 -5.393
955 3HG1 VAL 122 HG11 VAL 122 1.225 5.476 -6.461
956 1HG2 VAL 122 HG23 VAL 122 0.209 8.764 -5.027
957 2HG2 VAL 122 HG22 VAL 122 -1.355 8.117 -4.542
958 3HG2 VAL 122 HG21 VAL 122 0.129 7.407 -3.908
959 H ILE 123 HN ILE 123 -2.826 8.251 -5.668
960 HA ILE 123 HA ILE 123 -4.784 6.293 -6.220
961 HB ILE 123 HB ILE 123 -5.189 9.215 -5.525
962 1HG1 ILE 123 HG12 ILE 123 -3.629 7.832 -4.069
963 2HG1 ILE 123 HG11 ILE 123 -5.011 8.542 -3.237
964 1HG2 ILE 123 HG21 ILE 123 -7.008 7.012 -5.986
965 2HG2 ILE 123 HG23 ILE 123 -7.123 7.572 -4.317
966 3HG2 ILE 123 HG22 ILE 123 -7.373 8.705 -5.647
967 1HD1 ILE 123 HD11 ILE 123 -5.918 6.054 -4.193
968 2HD1 ILE 123 HD13 ILE 123 -4.301 5.749 -3.560
969 3HD1 ILE 123 HD12 ILE 123 -5.530 6.472 -2.526
970 H ALA 124 HN ALA 124 -4.019 9.343 -7.831
971 HA ALA 124 HA ALA 124 -6.191 9.584 -9.584
972 1HB ALA 124 HB3 ALA 124 -3.247 10.049 -10.155
973 2HB ALA 124 HB2 ALA 124 -4.565 10.618 -11.180
974 3HB ALA 124 HB1 ALA 124 -4.394 11.239 -9.538
975 H LYS 125 HN LYS 125 -3.341 7.480 -9.841
976 HA LYS 125 HA LYS 125 -4.218 6.366 -12.390
977 1HB LYS 125 HB2 LYS 125 -1.802 6.460 -11.035
978 2HB LYS 125 HB1 LYS 125 -2.282 4.770 -10.888
979 1HG LYS 125 HG2 LYS 125 -2.484 6.161 -13.548
980 2HG LYS 125 HG1 LYS 125 -0.933 5.521 -13.002
981 1HD LYS 125 HD2 LYS 125 -1.567 3.379 -13.360
982 2HD LYS 125 HD1 LYS 125 -3.147 3.638 -12.619
983 1HE LYS 125 HE2 LYS 125 -3.998 3.512 -14.709
984 2HE LYS 125 HE1 LYS 125 -3.290 5.105 -14.977
985 1HZ LYS 125 HZ3 LYS 125 -1.224 3.309 -15.278
986 2HZ LYS 125 HZ2 LYS 125 -2.542 2.604 -16.087
987 3HZ LYS 125 HZ1 LYS 125 -2.018 4.165 -16.509
988 H LEU 126 HN LEU 126 -4.382 5.429 -8.981
989 HA LEU 126 HA LEU 126 -5.371 2.771 -9.468
990 1HB LEU 126 HB2 LEU 126 -5.711 4.480 -6.996
991 2HB LEU 126 HB1 LEU 126 -5.727 2.730 -7.098
992 HG LEU 126 HG LEU 126 -3.311 4.227 -8.044
993 1HD1 LEU 126 HD13 LEU 126 -4.305 4.537 -5.459
994 2HD1 LEU 126 HD12 LEU 126 -3.114 3.248 -5.299
995 3HD1 LEU 126 HD11 LEU 126 -2.638 4.810 -5.965
996 1HD2 LEU 126 HD22 LEU 126 -4.075 1.463 -7.243
997 2HD2 LEU 126 HD21 LEU 126 -2.969 2.001 -8.507
998 3HD2 LEU 126 HD23 LEU 126 -2.442 1.982 -6.824
999 H LYS 127 HN LYS 127 -6.771 5.768 -9.971
1000 HA LYS 127 HA LYS 127 -9.409 5.399 -8.961
1001 1HB LYS 127 HB2 LYS 127 -8.160 7.051 -11.139
1002 2HB LYS 127 HB1 LYS 127 -9.904 7.020 -10.940
1003 1HG LYS 127 HG2 LYS 127 -9.172 7.392 -8.368
1004 2HG LYS 127 HG1 LYS 127 -7.828 8.191 -9.180
1005 1HD LYS 127 HD2 LYS 127 -9.957 9.152 -10.606
1006 2HD LYS 127 HD1 LYS 127 -10.659 8.999 -8.994
1007 1HE LYS 127 HE2 LYS 127 -9.366 10.662 -8.134
1008 2HE LYS 127 HE1 LYS 127 -7.944 10.157 -9.045
1009 1HZ LYS 127 HZ2 LYS 127 -9.190 11.061 -11.057
1010 2HZ LYS 127 HZ1 LYS 127 -10.193 11.853 -9.937
1011 3HZ LYS 127 HZ3 LYS 127 -8.531 12.191 -9.974
1012 H ARG 128 HN ARG 128 -8.004 4.749 -12.187
1013 HA ARG 128 HA ARG 128 -10.430 3.440 -13.091
1014 1HB ARG 128 HB2 ARG 128 -7.720 4.039 -14.217
1015 2HB ARG 128 HB1 ARG 128 -8.726 2.831 -15.001
1016 1HG ARG 128 HG2 ARG 128 -10.601 4.579 -14.961
1017 2HG ARG 128 HG1 ARG 128 -9.347 5.748 -14.543
1018 1HD ARG 128 HD2 ARG 128 -8.289 4.310 -16.705
1019 2HD ARG 128 HD1 ARG 128 -9.977 4.585 -17.132
1020 HE ARG 128 HE ARG 128 -8.124 6.553 -17.476
1021 1HH1 ARG 128 HH21 ARG 128 -11.305 6.544 -16.759
1022 2HH1 ARG 128 HH22 ARG 128 -11.342 8.036 -15.881
1023 1HH2 ARG 128 HH11 ARG 128 -7.892 8.310 -15.679
1024 2HH2 ARG 128 HH12 ARG 128 -9.410 9.036 -15.272
1025 H LEU 129 HN LEU 129 -8.032 2.534 -11.002
1026 HA LEU 129 HA LEU 129 -7.112 0.011 -11.743
1027 1HB LEU 129 HB2 LEU 129 -6.969 1.449 -9.468
1028 2HB LEU 129 HB1 LEU 129 -8.163 0.252 -8.968
1029 HG LEU 129 HG LEU 129 -6.484 -1.466 -10.020
1030 1HD1 LEU 129 HD12 LEU 129 -5.022 0.285 -11.004
1031 2HD1 LEU 129 HD11 LEU 129 -4.665 0.881 -9.383
1032 3HD1 LEU 129 HD13 LEU 129 -4.146 -0.734 -9.864
1033 1HD2 LEU 129 HD22 LEU 129 -7.088 -0.785 -7.500
1034 2HD2 LEU 129 HD21 LEU 129 -5.794 -1.927 -7.862
1035 3HD2 LEU 129 HD23 LEU 129 -5.411 -0.241 -7.513
No H/Q in entry = 1035
Start of MODEL 12
1 1H MET 1 HT1 MET 1 17.283 12.525 8.915
2 2H MET 1 HT3 MET 1 16.415 12.820 10.342
3 3H MET 1 HT2 MET 1 15.624 12.164 8.990
4 HA MET 1 HA MET 1 15.089 14.503 9.220
5 1HB MET 1 HB2 MET 1 17.368 14.958 10.335
6 2HB MET 1 HB1 MET 1 18.014 15.046 8.695
7 1HG MET 1 HG2 MET 1 15.616 16.599 8.780
8 2HG MET 1 HG1 MET 1 16.621 17.073 10.149
9 1HE MET 1 HE1 MET 1 15.527 17.683 7.073
10 2HE MET 1 HE3 MET 1 16.159 19.276 7.510
11 3HE MET 1 HE2 MET 1 16.749 18.456 6.066
12 H LYS 2 HN LYS 2 16.250 12.244 7.183
13 HA LYS 2 HA LYS 2 15.159 13.481 4.840
14 1HB LYS 2 HB2 LYS 2 17.180 13.873 3.544
15 2HB LYS 2 HB1 LYS 2 17.275 14.808 5.036
16 1HG LYS 2 HG2 LYS 2 18.375 12.056 5.173
17 2HG LYS 2 HG1 LYS 2 19.274 13.192 4.167
18 1HD LYS 2 HD2 LYS 2 18.699 14.694 6.418
19 2HD LYS 2 HD1 LYS 2 19.011 13.093 7.086
20 1HE LYS 2 HE2 LYS 2 21.064 13.179 5.386
21 2HE LYS 2 HE1 LYS 2 20.852 14.917 5.596
22 1HZ LYS 2 HZ1 LYS 2 20.819 14.393 8.069
23 2HZ LYS 2 HZ3 LYS 2 21.457 12.879 7.648
24 3HZ LYS 2 HZ2 LYS 2 22.317 14.296 7.274
25 H LYS 3 HN LYS 3 15.149 10.914 6.284
26 HA LYS 3 HA LYS 3 15.499 9.182 3.948
27 1HB LYS 3 HB2 LYS 3 17.742 9.383 5.329
28 2HB LYS 3 HB1 LYS 3 16.924 8.244 6.400
29 1HG LYS 3 HG2 LYS 3 16.375 7.059 4.057
30 2HG LYS 3 HG1 LYS 3 17.879 7.861 3.605
31 1HD LYS 3 HD2 LYS 3 18.892 6.051 4.530
32 2HD LYS 3 HD1 LYS 3 18.513 6.823 6.070
33 1HE LYS 3 HE2 LYS 3 17.473 4.815 6.470
34 2HE LYS 3 HE1 LYS 3 16.152 5.601 5.604
35 1HZ LYS 3 HZ2 LYS 3 17.608 4.628 3.586
36 2HZ LYS 3 HZ1 LYS 3 17.883 3.439 4.768
37 3HZ LYS 3 HZ3 LYS 3 16.298 3.808 4.292
38 H LEU 4 HN LEU 4 13.152 9.278 4.543
39 HA LEU 4 HA LEU 4 12.522 7.144 6.525
40 1HB LEU 4 HB2 LEU 4 11.973 9.472 7.365
41 2HB LEU 4 HB1 LEU 4 10.821 9.603 6.034
42 HG LEU 4 HG LEU 4 9.623 7.626 6.852
43 1HD1 LEU 4 HD11 LEU 4 11.859 7.629 8.885
44 2HD1 LEU 4 HD13 LEU 4 10.328 6.807 9.187
45 3HD1 LEU 4 HD12 LEU 4 11.344 6.310 7.833
46 1HD2 LEU 4 HD21 LEU 4 9.862 10.142 8.194
47 2HD2 LEU 4 HD23 LEU 4 8.452 9.087 8.102
48 3HD2 LEU 4 HD22 LEU 4 9.615 8.892 9.414
49 H GLN 5 HN GLN 5 11.995 5.502 5.080
50 HA GLN 5 HA GLN 5 9.882 6.160 3.067
51 1HB GLN 5 HB2 GLN 5 11.587 3.824 2.475
52 2HB GLN 5 HB1 GLN 5 10.992 5.082 1.396
53 1HG GLN 5 HG2 GLN 5 12.686 6.648 2.425
54 2HG GLN 5 HG1 GLN 5 13.359 5.256 3.276
55 1HE2 GLN 5 HE22 GLN 5 14.230 5.810 -0.642
56 2HE2 GLN 5 HE21 GLN 5 13.266 6.914 0.216
57 H ILE 6 HN ILE 6 8.253 4.562 2.790
58 HA ILE 6 HA ILE 6 8.141 2.574 4.996
59 HB ILE 6 HB ILE 6 5.800 3.383 3.295
60 1HG1 ILE 6 HG12 ILE 6 6.760 5.506 4.000
61 2HG1 ILE 6 HG11 ILE 6 5.353 5.171 5.010
62 1HG2 ILE 6 HG21 ILE 6 6.315 1.823 5.660
63 2HG2 ILE 6 HG23 ILE 6 5.204 3.140 6.038
64 3HG2 ILE 6 HG22 ILE 6 4.813 1.997 4.753
65 1HD1 ILE 6 HD11 ILE 6 8.144 4.368 5.844
66 2HD1 ILE 6 HD13 ILE 6 7.476 5.955 6.227
67 3HD1 ILE 6 HD12 ILE 6 6.702 4.497 6.849
68 H ALA 7 HN ALA 7 6.611 0.631 4.216
69 HA ALA 7 HA ALA 7 7.336 -0.151 1.433
70 1HB ALA 7 HB1 ALA 7 7.929 -1.703 3.960
71 2HB ALA 7 HB3 ALA 7 7.870 -2.469 2.373
72 3HB ALA 7 HB2 ALA 7 9.062 -1.210 2.700
73 H VAL 8 HN VAL 8 5.167 -0.060 0.755
74 HA VAL 8 HA VAL 8 3.304 -1.954 2.156
75 HB VAL 8 HB VAL 8 2.646 0.468 2.330
76 1HG1 VAL 8 HG11 VAL 8 3.506 0.580 -0.298
77 2HG1 VAL 8 HG13 VAL 8 1.749 0.569 -0.465
78 3HG1 VAL 8 HG12 VAL 8 2.536 1.815 0.505
79 1HG2 VAL 8 HG21 VAL 8 1.112 -1.787 1.463
80 2HG2 VAL 8 HG23 VAL 8 0.566 -0.408 2.415
81 3HG2 VAL 8 HG22 VAL 8 0.475 -0.355 0.656
82 H GLY 9 HN GLY 9 2.375 -3.483 0.919
83 1HA GLY 9 HA2 GLY 9 2.687 -3.268 -2.046
84 2HA GLY 9 HA1 GLY 9 2.914 -4.798 -1.192
85 H ILE 10 HN ILE 10 0.646 -3.019 -2.878
86 HA ILE 10 HA ILE 10 -1.648 -3.904 -1.281
87 HB ILE 10 HB ILE 10 -1.994 -2.899 -4.069
88 1HG1 ILE 10 HG12 ILE 10 -1.506 -0.942 -1.821
89 2HG1 ILE 10 HG11 ILE 10 -0.183 -1.477 -2.844
90 1HG2 ILE 10 HG21 ILE 10 -3.356 -2.498 -1.402
91 2HG2 ILE 10 HG23 ILE 10 -3.844 -1.663 -2.876
92 3HG2 ILE 10 HG22 ILE 10 -3.956 -3.421 -2.780
93 1HD1 ILE 10 HD13 ILE 10 -1.718 -0.864 -4.829
94 2HD1 ILE 10 HD12 ILE 10 -2.645 0.050 -3.639
95 3HD1 ILE 10 HD11 ILE 10 -0.953 0.452 -3.939
96 H ILE 11 HN ILE 11 -3.248 -5.405 -2.237
97 HA ILE 11 HA ILE 11 -1.937 -7.247 -4.201
98 HB ILE 11 HB ILE 11 -3.756 -8.639 -2.424
99 1HG1 ILE 11 HG12 ILE 11 -1.490 -7.042 -1.192
100 2HG1 ILE 11 HG11 ILE 11 -3.192 -6.992 -0.750
101 1HG2 ILE 11 HG21 ILE 11 -0.765 -8.832 -2.913
102 2HG2 ILE 11 HG23 ILE 11 -1.756 -10.063 -2.129
103 3HG2 ILE 11 HG22 ILE 11 -2.012 -9.677 -3.832
104 1HD1 ILE 11 HD11 ILE 11 -1.420 -9.425 -0.502
105 2HD1 ILE 11 HD13 ILE 11 -1.822 -8.351 0.836
106 3HD1 ILE 11 HD12 ILE 11 -3.089 -9.297 0.052
107 H ARG 12 HN ARG 12 -3.323 -8.308 -5.651
108 HA ARG 12 HA ARG 12 -6.215 -7.751 -5.565
109 1HB ARG 12 HB2 ARG 12 -5.164 -5.754 -6.674
110 2HB ARG 12 HB1 ARG 12 -4.527 -6.834 -7.913
111 1HG ARG 12 HG2 ARG 12 -6.662 -7.345 -8.748
112 2HG ARG 12 HG1 ARG 12 -7.468 -6.824 -7.267
113 1HD ARG 12 HD2 ARG 12 -7.807 -5.153 -9.029
114 2HD ARG 12 HD1 ARG 12 -6.797 -4.481 -7.750
115 HE ARG 12 HE ARG 12 -4.969 -5.510 -9.558
116 1HH1 ARG 12 HH11 ARG 12 -7.487 -3.165 -9.463
117 2HH1 ARG 12 HH12 ARG 12 -6.934 -2.316 -10.867
118 1HH2 ARG 12 HH21 ARG 12 -4.314 -4.500 -11.487
119 2HH2 ARG 12 HH22 ARG 12 -5.139 -3.070 -12.013
120 H ASN 13 HN ASN 13 -7.042 -9.747 -5.999
121 HA ASN 13 HA ASN 13 -5.491 -11.639 -7.651
122 1HB ASN 13 HB2 ASN 13 -7.167 -11.957 -5.464
123 2HB ASN 13 HB1 ASN 13 -8.150 -12.518 -6.812
124 1HD2 ASN 13 HD22 ASN 13 -5.040 -14.772 -5.542
125 2HD2 ASN 13 HD21 ASN 13 -5.473 -13.331 -4.759
126 H GLU 14 HN GLU 14 -7.857 -13.047 -8.598
127 HA GLU 14 HA GLU 14 -8.371 -11.387 -10.986
128 1HB GLU 14 HB2 GLU 14 -9.227 -14.221 -10.344
129 2HB GLU 14 HB1 GLU 14 -9.393 -13.427 -11.909
130 1HG GLU 14 HG2 GLU 14 -6.949 -13.165 -12.049
131 2HG GLU 14 HG1 GLU 14 -6.772 -13.947 -10.475
132 H ASN 15 HN ASN 15 -9.808 -11.810 -8.013
133 HA ASN 15 HA ASN 15 -12.577 -11.514 -9.031
134 1HB ASN 15 HB2 ASN 15 -11.856 -12.996 -6.999
135 2HB ASN 15 HB1 ASN 15 -11.791 -11.466 -6.121
136 1HD2 ASN 15 HD22 ASN 15 -15.246 -11.979 -5.491
137 2HD2 ASN 15 HD21 ASN 15 -13.690 -11.912 -4.817
138 H ASN 16 HN ASN 16 -10.597 -9.462 -9.483
139 HA ASN 16 HA ASN 16 -10.105 -7.228 -9.051
140 1HB ASN 16 HB2 ASN 16 -13.092 -7.065 -9.044
141 2HB ASN 16 HB1 ASN 16 -11.919 -5.987 -9.778
142 1HD2 ASN 16 HD22 ASN 16 -11.913 -7.712 -12.827
143 2HD2 ASN 16 HD21 ASN 16 -11.560 -6.286 -11.976
144 H GLU 17 HN GLU 17 -10.074 -8.602 -6.599
145 HA GLU 17 HA GLU 17 -11.337 -6.575 -4.793
146 1HB GLU 17 HB2 GLU 17 -10.678 -9.473 -4.163
147 2HB GLU 17 HB1 GLU 17 -11.412 -8.312 -3.057
148 1HG GLU 17 HG2 GLU 17 -13.047 -8.165 -5.292
149 2HG GLU 17 HG1 GLU 17 -12.649 -9.881 -5.197
150 H ILE 18 HN ILE 18 -9.862 -5.410 -3.628
151 HA ILE 18 HA ILE 18 -7.043 -6.369 -3.692
152 HB ILE 18 HB ILE 18 -7.173 -3.732 -2.651
153 1HG1 ILE 18 HG12 ILE 18 -9.440 -3.640 -3.692
154 2HG1 ILE 18 HG11 ILE 18 -8.289 -2.527 -4.407
155 1HG2 ILE 18 HG21 ILE 18 -6.198 -5.028 -5.180
156 2HG2 ILE 18 HG23 ILE 18 -6.116 -3.276 -4.994
157 3HG2 ILE 18 HG22 ILE 18 -5.263 -4.325 -3.860
158 1HD1 ILE 18 HD13 ILE 18 -8.302 -5.177 -5.674
159 2HD1 ILE 18 HD12 ILE 18 -9.818 -4.292 -5.843
160 3HD1 ILE 18 HD11 ILE 18 -8.313 -3.577 -6.419
161 H PHE 19 HN PHE 19 -5.816 -6.329 -1.780
162 HA PHE 19 HA PHE 19 -7.457 -6.499 0.700
163 1HB PHE 19 HB2 PHE 19 -6.144 -8.454 0.575
164 2HB PHE 19 HB1 PHE 19 -4.756 -7.592 -0.076
165 HD1 PHE 19 HD2 PHE 19 -6.887 -7.842 2.989
166 HD2 PHE 19 HD1 PHE 19 -3.033 -6.854 1.365
167 HE1 PHE 19 HE2 PHE 19 -6.004 -7.527 5.284
168 HE2 PHE 19 HE1 PHE 19 -2.154 -6.535 3.662
169 HZ PHE 19 HZ PHE 19 -3.630 -6.877 5.615
170 H ILE 20 HN ILE 20 -7.638 -4.137 0.794
171 HA ILE 20 HA ILE 20 -5.134 -2.672 1.198
172 HB ILE 20 HB ILE 20 -7.268 -1.943 -0.136
173 1HG1 ILE 20 HG12 ILE 20 -6.279 0.055 -0.232
174 2HG1 ILE 20 HG11 ILE 20 -6.680 0.391 1.448
175 1HG2 ILE 20 HG22 ILE 20 -8.640 -2.366 2.032
176 2HG2 ILE 20 HG21 ILE 20 -8.071 -0.763 2.496
177 3HG2 ILE 20 HG23 ILE 20 -9.030 -0.969 1.030
178 1HD1 ILE 20 HD13 ILE 20 -4.688 -1.051 2.094
179 2HD1 ILE 20 HD12 ILE 20 -4.249 -1.063 0.389
180 3HD1 ILE 20 HD11 ILE 20 -4.287 0.458 1.276
181 H THR 21 HN THR 21 -6.208 -0.724 2.978
182 HA THR 21 HA THR 21 -6.554 -2.332 5.462
183 HB THR 21 HB THR 21 -5.231 0.284 5.718
184 HG1 THR 21 HG1 THR 21 -4.208 -1.851 4.233
185 1HG2 THR 21 HG23 THR 21 -5.647 -1.927 7.300
186 2HG2 THR 21 HG22 THR 21 -3.975 -2.138 6.786
187 3HG2 THR 21 HG21 THR 21 -4.460 -0.663 7.621
188 H ARG 22 HN ARG 22 -7.559 -0.859 7.262
189 HA ARG 22 HA ARG 22 -9.066 1.427 6.306
190 1HB ARG 22 HB2 ARG 22 -10.211 -0.997 5.801
191 2HB ARG 22 HB1 ARG 22 -10.886 -0.608 7.388
192 1HG ARG 22 HG2 ARG 22 -11.882 1.343 6.637
193 2HG ARG 22 HG1 ARG 22 -10.764 1.507 5.284
194 1HD ARG 22 HD2 ARG 22 -12.642 0.771 4.145
195 2HD ARG 22 HD1 ARG 22 -11.892 -0.779 4.525
196 HE ARG 22 HE ARG 22 -13.534 -0.276 6.704
197 1HH1 ARG 22 HH21 ARG 22 -13.702 -1.672 3.684
198 2HH1 ARG 22 HH22 ARG 22 -15.429 -1.637 3.556
199 1HH2 ARG 22 HH11 ARG 22 -15.865 0.328 6.380
200 2HH2 ARG 22 HH12 ARG 22 -16.653 -0.505 5.081
201 H ARG 23 HN ARG 23 -11.109 1.148 8.332
202 HA ARG 23 HA ARG 23 -10.070 2.513 10.471
203 1HB ARG 23 HB2 ARG 23 -11.959 1.353 11.782
204 2HB ARG 23 HB1 ARG 23 -12.415 2.289 10.368
205 1HG ARG 23 HG2 ARG 23 -12.842 0.387 9.090
206 2HG ARG 23 HG1 ARG 23 -11.795 -0.635 10.077
207 1HD ARG 23 HD2 ARG 23 -13.589 0.064 11.957
208 2HD ARG 23 HD1 ARG 23 -14.622 0.183 10.535
209 HE ARG 23 HE ARG 23 -14.176 -2.229 11.702
210 1HH1 ARG 23 HH11 ARG 23 -11.658 -2.732 10.365
211 2HH1 ARG 23 HH12 ARG 23 -12.122 -3.388 8.830
212 1HH2 ARG 23 HH21 ARG 23 -15.387 -2.237 9.030
213 2HH2 ARG 23 HH22 ARG 23 -14.235 -3.107 8.073
214 H ALA 24 HN ALA 24 -8.161 1.883 11.415
215 HA ALA 24 HA ALA 24 -8.193 -0.727 12.847
216 1HB ALA 24 HB1 ALA 24 -6.047 0.307 10.988
217 2HB ALA 24 HB3 ALA 24 -5.697 -0.887 12.238
218 3HB ALA 24 HB2 ALA 24 -6.850 -1.262 10.959
219 H ALA 25 HN ALA 25 -8.462 2.244 13.494
220 HA ALA 25 HA ALA 25 -7.100 2.230 15.989
221 1HB ALA 25 HB1 ALA 25 -5.625 3.445 13.678
222 2HB ALA 25 HB3 ALA 25 -5.515 4.225 15.256
223 3HB ALA 25 HB2 ALA 25 -4.993 2.552 15.062
224 H ASP 26 HN ASP 26 -9.123 3.083 16.644
225 HA ASP 26 HA ASP 26 -10.802 4.721 16.909
226 1HB ASP 26 HB2 ASP 26 -8.811 6.894 16.534
227 2HB ASP 26 HB1 ASP 26 -9.935 6.616 17.862
228 H ALA 27 HN ALA 27 -11.631 4.174 14.687
229 HA ALA 27 HA ALA 27 -11.978 6.577 13.128
230 1HB ALA 27 HB1 ALA 27 -9.615 5.396 12.531
231 2HB ALA 27 HB3 ALA 27 -10.679 4.508 11.438
232 3HB ALA 27 HB2 ALA 27 -10.580 6.266 11.340
233 H HIS 28 HN HIS 28 -14.184 5.890 13.520
234 HA HIS 28 HA HIS 28 -14.998 3.517 11.888
235 1HB HIS 28 HB2 HIS 28 -16.323 4.735 14.328
236 2HB HIS 28 HB1 HIS 28 -17.000 3.415 13.373
237 HD1 HIS 28 HD1 HIS 28 -13.859 2.339 12.982
238 HD2 HIS 28 HD2 HIS 28 -16.063 2.780 16.494
239 HE1 HIS 28 HE1 HIS 28 -12.800 0.798 14.690
240 H MET 29 HN MET 29 -15.210 6.909 12.223
241 HA MET 29 HA MET 29 -17.652 6.993 10.504
242 1HB MET 29 HB2 MET 29 -17.220 8.368 12.778
243 2HB MET 29 HB1 MET 29 -16.483 9.489 11.632
244 1HG MET 29 HG2 MET 29 -18.534 9.569 10.320
245 2HG MET 29 HG1 MET 29 -19.274 8.340 11.346
246 1HE MET 29 HE2 MET 29 -20.391 8.474 12.970
247 2HE MET 29 HE1 MET 29 -20.484 9.650 14.278
248 3HE MET 29 HE3 MET 29 -21.444 9.877 12.810
249 H ALA 30 HN ALA 30 -17.479 7.729 8.429
250 HA ALA 30 HA ALA 30 -16.557 8.854 6.558
251 1HB ALA 30 HB1 ALA 30 -15.426 10.344 8.356
252 2HB ALA 30 HB3 ALA 30 -14.010 9.326 8.097
253 3HB ALA 30 HB2 ALA 30 -14.682 10.260 6.760
254 H ASN 31 HN ASN 31 -14.928 6.399 8.403
255 HA ASN 31 HA ASN 31 -13.641 4.569 7.713
256 1HB ASN 31 HB2 ASN 31 -14.411 5.128 4.866
257 2HB ASN 31 HB1 ASN 31 -14.256 3.578 5.695
258 1HD2 ASN 31 HD22 ASN 31 -17.880 5.157 5.435
259 2HD2 ASN 31 HD21 ASN 31 -16.579 5.539 4.414
260 H LYS 32 HN LYS 32 -11.468 4.806 7.744
261 HA LYS 32 HA LYS 32 -10.210 6.440 5.583
262 1HB LYS 32 HB2 LYS 32 -9.629 6.462 8.552
263 2HB LYS 32 HB1 LYS 32 -8.472 7.061 7.363
264 1HG LYS 32 HG2 LYS 32 -11.296 8.070 7.813
265 2HG LYS 32 HG1 LYS 32 -9.797 8.936 8.153
266 1HD LYS 32 HD2 LYS 32 -9.418 8.309 5.532
267 2HD LYS 32 HD1 LYS 32 -11.174 8.487 5.570
268 1HE LYS 32 HE2 LYS 32 -9.146 10.531 6.520
269 2HE LYS 32 HE1 LYS 32 -10.148 10.650 5.075
270 1HZ LYS 32 HZ2 LYS 32 -12.024 10.239 6.874
271 2HZ LYS 32 HZ1 LYS 32 -10.876 10.989 7.877
272 3HZ LYS 32 HZ3 LYS 32 -11.454 11.795 6.500
273 H LEU 33 HN LEU 33 -8.460 5.446 4.614
274 HA LEU 33 HA LEU 33 -7.304 3.055 5.969
275 1HB LEU 33 HB2 LEU 33 -7.228 1.935 3.721
276 2HB LEU 33 HB1 LEU 33 -8.836 2.116 4.400
277 HG LEU 33 HG LEU 33 -8.215 4.472 2.902
278 1HD1 LEU 33 HD13 LEU 33 -6.678 2.584 1.856
279 2HD1 LEU 33 HD12 LEU 33 -8.194 2.056 1.127
280 3HD1 LEU 33 HD11 LEU 33 -7.581 3.680 0.810
281 1HD2 LEU 33 HD23 LEU 33 -10.222 2.255 2.922
282 2HD2 LEU 33 HD22 LEU 33 -10.473 3.994 3.077
283 3HD2 LEU 33 HD21 LEU 33 -10.153 3.286 1.493
284 H GLU 34 HN GLU 34 -5.363 2.322 4.430
285 HA GLU 34 HA GLU 34 -4.011 4.531 3.117
286 1HB GLU 34 HB2 GLU 34 -3.807 4.695 5.796
287 2HB GLU 34 HB1 GLU 34 -2.454 3.622 5.467
288 1HG GLU 34 HG2 GLU 34 -1.968 5.409 3.551
289 2HG GLU 34 HG1 GLU 34 -2.865 6.466 4.644
290 H PHE 35 HN PHE 35 -1.384 3.599 3.692
291 HA PHE 35 HA PHE 35 -1.446 0.879 2.453
292 1HB PHE 35 HB2 PHE 35 0.831 2.771 1.960
293 2HB PHE 35 HB1 PHE 35 0.216 1.474 0.935
294 HD1 PHE 35 HD2 PHE 35 -0.510 4.898 2.202
295 HD2 PHE 35 HD1 PHE 35 -1.484 1.875 -0.690
296 HE1 PHE 35 HE2 PHE 35 -1.905 6.532 0.963
297 HE2 PHE 35 HE1 PHE 35 -2.878 3.509 -1.929
298 HZ PHE 35 HZ PHE 35 -3.088 5.838 -1.103
299 HA PRO 36 HA PRO 36 0.551 0.493 6.535
300 1HB PRO 36 HB2 PRO 36 0.348 -2.358 6.083
301 2HB PRO 36 HB1 PRO 36 -0.520 -1.366 7.264
302 1HG PRO 36 HG2 PRO 36 -1.576 -2.541 4.865
303 2HG PRO 36 HG1 PRO 36 -2.419 -1.492 6.011
304 1HD PRO 36 HD2 PRO 36 -1.543 -0.842 3.345
305 2HD PRO 36 HD1 PRO 36 -2.384 0.210 4.501
306 H GLY 37 HN GLY 37 2.107 -1.946 6.745
307 1HA GLY 37 HA2 GLY 37 3.873 -2.861 5.015
308 2HA GLY 37 HA1 GLY 37 4.363 -1.166 4.972
309 H GLY 38 HN GLY 38 6.445 -1.750 5.853
310 1HA GLY 38 HA2 GLY 38 6.383 -1.934 8.805
311 2HA GLY 38 HA1 GLY 38 7.264 -3.203 7.954
312 H LYS 39 HN LYS 39 7.196 -0.011 6.580
313 HA LYS 39 HA LYS 39 8.856 1.652 6.442
314 1HB LYS 39 HB2 LYS 39 9.188 0.582 9.032
315 2HB LYS 39 HB1 LYS 39 10.798 0.598 8.310
316 1HG LYS 39 HG2 LYS 39 10.897 2.868 8.282
317 2HG LYS 39 HG1 LYS 39 9.211 3.029 7.790
318 1HD LYS 39 HD2 LYS 39 8.828 3.720 9.911
319 2HD LYS 39 HD1 LYS 39 9.006 2.022 10.358
320 1HE LYS 39 HE2 LYS 39 11.498 2.441 10.558
321 2HE LYS 39 HE1 LYS 39 11.151 4.160 10.374
322 1HZ LYS 39 HZ3 LYS 39 9.389 3.393 12.268
323 2HZ LYS 39 HZ2 LYS 39 10.742 2.434 12.640
324 3HZ LYS 39 HZ1 LYS 39 10.888 4.126 12.574
325 H ILE 40 HN ILE 40 11.098 1.828 5.594
326 HA ILE 40 HA ILE 40 11.872 -0.703 4.231
327 HB ILE 40 HB ILE 40 11.358 1.433 2.919
328 1HG1 ILE 40 HG12 ILE 40 14.165 0.732 2.276
329 2HG1 ILE 40 HG11 ILE 40 13.054 -0.633 2.408
330 1HG2 ILE 40 HG21 ILE 40 14.030 2.211 4.124
331 2HG2 ILE 40 HG23 ILE 40 13.238 3.059 2.797
332 3HG2 ILE 40 HG22 ILE 40 12.488 3.024 4.394
333 1HD1 ILE 40 HD13 ILE 40 12.126 1.752 0.872
334 2HD1 ILE 40 HD12 ILE 40 13.341 0.721 0.118
335 3HD1 ILE 40 HD11 ILE 40 11.788 0.042 0.603
336 H GLU 41 HN GLU 41 13.738 -1.705 4.806
337 HA GLU 41 HA GLU 41 15.723 -0.145 6.394
338 1HB GLU 41 HB2 GLU 41 15.196 -3.079 6.820
339 2HB GLU 41 HB1 GLU 41 16.047 -1.958 7.883
340 1HG GLU 41 HG2 GLU 41 13.737 -0.687 7.900
341 2HG GLU 41 HG1 GLU 41 13.097 -2.260 7.422
342 H MET 42 HN MET 42 15.583 -3.392 5.036
343 HA MET 42 HA MET 42 18.215 -2.876 3.739
344 1HB MET 42 HB2 MET 42 16.918 -5.246 4.948
345 2HB MET 42 HB1 MET 42 17.806 -5.560 3.457
346 1HG MET 42 HG2 MET 42 19.283 -5.796 5.417
347 2HG MET 42 HG1 MET 42 19.795 -4.445 4.405
348 1HE MET 42 HE1 MET 42 21.115 -4.352 6.819
349 2HE MET 42 HE3 MET 42 20.394 -3.688 8.293
350 3HE MET 42 HE2 MET 42 20.002 -5.327 7.776
351 H GLY 43 HN GLY 43 17.891 -2.165 1.679
352 1HA GLY 43 HA2 GLY 43 16.883 -3.801 -0.376
353 2HA GLY 43 HA1 GLY 43 15.552 -2.749 0.116
354 H GLU 44 HN GLU 44 17.368 -2.846 -2.368
355 HA GLU 44 HA GLU 44 18.400 -0.051 -2.212
356 1HB GLU 44 HB2 GLU 44 19.497 -2.453 -3.286
357 2HB GLU 44 HB1 GLU 44 19.183 -1.357 -4.634
358 1HG GLU 44 HG2 GLU 44 20.678 0.224 -3.878
359 2HG GLU 44 HG1 GLU 44 20.422 -0.194 -2.184
360 H THR 45 HN THR 45 15.825 -1.894 -3.466
361 HA THR 45 HA THR 45 15.035 0.414 -5.133
362 HB THR 45 HB THR 45 14.299 -1.926 -6.586
363 HG1 THR 45 HG1 THR 45 16.089 -2.882 -5.534
364 1HG2 THR 45 HG23 THR 45 15.246 0.675 -7.009
365 2HG2 THR 45 HG22 THR 45 16.471 -0.371 -7.727
366 3HG2 THR 45 HG21 THR 45 14.792 -0.492 -8.250
367 HA PRO 46 HA PRO 46 10.969 -0.502 -3.866
368 1HB PRO 46 HB2 PRO 46 9.617 -0.491 -6.354
369 2HB PRO 46 HB1 PRO 46 9.938 0.912 -5.326
370 1HG PRO 46 HG2 PRO 46 11.142 0.268 -7.886
371 2HG PRO 46 HG1 PRO 46 11.402 1.705 -6.892
372 1HD PRO 46 HD2 PRO 46 13.158 -0.565 -7.257
373 2HD PRO 46 HD1 PRO 46 13.469 0.939 -6.363
374 H GLU 47 HN GLU 47 12.549 -2.719 -5.866
375 HA GLU 47 HA GLU 47 10.295 -4.668 -5.792
376 1HB GLU 47 HB2 GLU 47 12.612 -4.167 -7.551
377 2HB GLU 47 HB1 GLU 47 12.307 -5.863 -7.202
378 1HG GLU 47 HG2 GLU 47 9.786 -5.122 -7.717
379 2HG GLU 47 HG1 GLU 47 10.616 -3.903 -8.686
380 H GLN 48 HN GLN 48 13.646 -4.148 -4.866
381 HA GLN 48 HA GLN 48 14.067 -6.714 -3.664
382 1HB GLN 48 HB2 GLN 48 15.558 -4.337 -4.217
383 2HB GLN 48 HB1 GLN 48 15.743 -4.728 -2.508
384 1HG GLN 48 HG2 GLN 48 16.430 -6.983 -3.054
385 2HG GLN 48 HG1 GLN 48 16.131 -6.690 -4.767
386 1HE2 GLN 48 HE22 GLN 48 19.538 -5.772 -5.052
387 2HE2 GLN 48 HE21 GLN 48 18.301 -6.814 -5.563
388 H ALA 49 HN ALA 49 13.722 -3.494 -2.356
389 HA ALA 49 HA ALA 49 13.556 -4.042 0.342
390 1HB ALA 49 HB3 ALA 49 11.862 -2.041 -1.174
391 2HB ALA 49 HB2 ALA 49 12.121 -2.030 0.570
392 3HB ALA 49 HB1 ALA 49 13.475 -1.749 -0.523
393 H VAL 50 HN VAL 50 10.918 -4.263 -2.027
394 HA VAL 50 HA VAL 50 8.989 -5.195 -0.046
395 HB VAL 50 HB VAL 50 8.377 -3.924 -2.067
396 1HG1 VAL 50 HG12 VAL 50 10.054 -5.008 -3.563
397 2HG1 VAL 50 HG11 VAL 50 9.095 -6.487 -3.511
398 3HG1 VAL 50 HG13 VAL 50 8.430 -5.031 -4.251
399 1HG2 VAL 50 HG22 VAL 50 6.817 -5.532 -0.870
400 2HG2 VAL 50 HG21 VAL 50 6.393 -5.175 -2.545
401 3HG2 VAL 50 HG23 VAL 50 7.189 -6.696 -2.143
402 H VAL 51 HN VAL 51 11.256 -6.568 -2.275
403 HA VAL 51 HA VAL 51 10.253 -9.186 -2.526
404 HB VAL 51 HB VAL 51 12.573 -7.805 -3.236
405 1HG1 VAL 51 HG12 VAL 51 13.267 -9.982 -1.265
406 2HG1 VAL 51 HG11 VAL 51 14.347 -9.565 -2.591
407 3HG1 VAL 51 HG13 VAL 51 13.930 -8.351 -1.386
408 1HG2 VAL 51 HG22 VAL 51 11.222 -10.248 -3.810
409 2HG2 VAL 51 HG21 VAL 51 12.244 -9.269 -4.862
410 3HG2 VAL 51 HG23 VAL 51 12.965 -10.517 -3.847
411 H ARG 52 HN ARG 52 12.597 -7.972 -0.207
412 HA ARG 52 HA ARG 52 12.400 -10.249 1.531
413 1HB ARG 52 HB2 ARG 52 14.489 -9.458 1.744
414 2HB ARG 52 HB1 ARG 52 14.050 -7.927 1.024
415 1HG ARG 52 HG2 ARG 52 13.084 -7.235 3.216
416 2HG ARG 52 HG1 ARG 52 13.775 -8.693 3.937
417 1HD ARG 52 HD2 ARG 52 15.336 -6.536 2.482
418 2HD ARG 52 HD1 ARG 52 15.271 -6.735 4.232
419 HE ARG 52 HE ARG 52 17.169 -8.018 2.747
420 1HH1 ARG 52 HH11 ARG 52 15.576 -8.720 5.516
421 2HH1 ARG 52 HH12 ARG 52 15.674 -10.446 5.394
422 1HH2 ARG 52 HH21 ARG 52 16.781 -10.416 2.106
423 2HH2 ARG 52 HH22 ARG 52 16.358 -11.406 3.462
424 H GLU 53 HN GLU 53 10.829 -7.025 1.475
425 HA GLU 53 HA GLU 53 10.222 -7.203 4.342
426 1HB GLU 53 HB2 GLU 53 9.283 -5.087 4.147
427 2HB GLU 53 HB1 GLU 53 10.476 -5.073 2.851
428 1HG GLU 53 HG2 GLU 53 8.705 -4.394 1.593
429 2HG GLU 53 HG1 GLU 53 8.355 -6.119 1.527
430 H LEU 54 HN LEU 54 8.517 -8.032 1.379
431 HA LEU 54 HA LEU 54 5.971 -8.408 2.752
432 1HB LEU 54 HB2 LEU 54 6.852 -8.281 0.047
433 2HB LEU 54 HB1 LEU 54 6.063 -9.843 0.277
434 HG LEU 54 HG LEU 54 4.430 -8.100 -0.372
435 1HD1 LEU 54 HD12 LEU 54 4.350 -9.633 2.137
436 2HD1 LEU 54 HD11 LEU 54 3.211 -8.287 2.091
437 3HD1 LEU 54 HD13 LEU 54 3.156 -9.532 0.843
438 1HD2 LEU 54 HD21 LEU 54 5.822 -6.282 0.841
439 2HD2 LEU 54 HD23 LEU 54 4.065 -6.153 0.924
440 3HD2 LEU 54 HD22 LEU 54 4.968 -6.796 2.296
441 H GLN 55 HN GLN 55 8.547 -10.547 1.523
442 HA GLN 55 HA GLN 55 7.190 -12.976 2.251
443 1HB GLN 55 HB2 GLN 55 10.066 -12.288 1.656
444 2HB GLN 55 HB1 GLN 55 9.609 -13.909 2.184
445 1HG GLN 55 HG2 GLN 55 7.733 -13.418 0.246
446 2HG GLN 55 HG1 GLN 55 9.140 -12.576 -0.404
447 1HE2 GLN 55 HE22 GLN 55 9.457 -16.639 0.216
448 2HE2 GLN 55 HE21 GLN 55 8.432 -15.731 1.220
449 H GLU 56 HN GLU 56 9.373 -10.806 4.000
450 HA GLU 56 HA GLU 56 9.679 -12.625 6.253
451 1HB GLU 56 HB2 GLU 56 10.205 -9.647 6.039
452 2HB GLU 56 HB1 GLU 56 10.714 -10.679 7.377
453 1HG GLU 56 HG2 GLU 56 11.466 -11.547 4.625
454 2HG GLU 56 HG1 GLU 56 12.328 -10.165 5.300
455 H GLU 57 HN GLU 57 7.130 -10.653 5.208
456 HA GLU 57 HA GLU 57 6.109 -10.271 7.980
457 1HB GLU 57 HB2 GLU 57 5.726 -8.901 5.400
458 2HB GLU 57 HB1 GLU 57 4.236 -9.147 6.311
459 1HG GLU 57 HG2 GLU 57 5.337 -7.000 6.898
460 2HG GLU 57 HG1 GLU 57 5.230 -8.089 8.282
461 H VAL 58 HN VAL 58 4.675 -11.184 4.829
462 HA VAL 58 HA VAL 58 2.851 -13.028 6.299
463 HB VAL 58 HB VAL 58 1.834 -13.102 3.840
464 1HG1 VAL 58 HG12 VAL 58 1.255 -11.696 6.194
465 2HG1 VAL 58 HG11 VAL 58 1.168 -10.488 4.912
466 3HG1 VAL 58 HG13 VAL 58 0.175 -11.943 4.823
467 1HG2 VAL 58 HG21 VAL 58 3.881 -11.634 3.136
468 2HG2 VAL 58 HG23 VAL 58 2.290 -11.246 2.500
469 3HG2 VAL 58 HG22 VAL 58 2.948 -10.311 3.835
470 H GLY 59 HN GLY 59 5.395 -12.918 3.893
471 1HA GLY 59 HA2 GLY 59 6.612 -14.616 2.850
472 2HA GLY 59 HA1 GLY 59 6.125 -15.646 4.203
473 H ILE 60 HN ILE 60 4.411 -14.071 1.534
474 HA ILE 60 HA ILE 60 2.833 -16.533 1.039
475 HB ILE 60 HB ILE 60 2.520 -14.077 -0.628
476 1HG1 ILE 60 HG12 ILE 60 1.964 -14.195 2.350
477 2HG1 ILE 60 HG11 ILE 60 2.923 -12.995 1.485
478 1HG2 ILE 60 HG21 ILE 60 0.835 -16.211 0.616
479 2HG2 ILE 60 HG23 ILE 60 0.072 -14.668 0.246
480 3HG2 ILE 60 HG22 ILE 60 0.834 -15.599 -1.036
481 1HD1 ILE 60 HD13 ILE 60 0.900 -12.256 0.284
482 2HD1 ILE 60 HD12 ILE 60 -0.055 -13.431 1.187
483 3HD1 ILE 60 HD11 ILE 60 0.715 -12.087 2.029
484 H THR 61 HN THR 61 2.507 -16.306 -1.756
485 HA THR 61 HA THR 61 5.293 -16.323 -2.806
486 HB THR 61 HB THR 61 3.294 -18.549 -3.269
487 HG1 THR 61 HG1 THR 61 4.521 -18.446 -1.232
488 1HG2 THR 61 HG23 THR 61 5.983 -17.860 -4.434
489 2HG2 THR 61 HG22 THR 61 5.397 -19.523 -4.415
490 3HG2 THR 61 HG21 THR 61 4.494 -18.280 -5.280
491 HA PRO 62 HA PRO 62 2.592 -13.842 -5.482
492 1HB PRO 62 HB2 PRO 62 4.908 -12.495 -6.416
493 2HB PRO 62 HB1 PRO 62 3.704 -11.900 -5.265
494 1HG PRO 62 HG2 PRO 62 6.431 -12.763 -4.726
495 2HG PRO 62 HG1 PRO 62 5.272 -12.030 -3.616
496 1HD PRO 62 HD2 PRO 62 6.108 -14.761 -3.683
497 2HD PRO 62 HD1 PRO 62 4.877 -14.032 -2.633
498 H GLN 63 HN GLN 63 2.493 -13.745 -7.835
499 HA GLN 63 HA GLN 63 4.263 -15.752 -9.166
500 1HB GLN 63 HB2 GLN 63 1.509 -15.146 -10.187
501 2HB GLN 63 HB1 GLN 63 2.454 -16.627 -10.338
502 1HG GLN 63 HG2 GLN 63 2.225 -16.665 -7.700
503 2HG GLN 63 HG1 GLN 63 0.817 -15.654 -8.024
504 1HE2 GLN 63 HE22 GLN 63 -1.073 -18.287 -9.499
505 2HE2 GLN 63 HE21 GLN 63 -0.951 -16.605 -9.301
506 H HIS 64 HN HIS 64 2.289 -12.801 -9.719
507 HA HIS 64 HA HIS 64 4.375 -11.871 -11.602
508 1HB HIS 64 HB2 HIS 64 2.167 -13.209 -12.598
509 2HB HIS 64 HB1 HIS 64 1.683 -11.517 -12.715
510 HD1 HIS 64 HD1 HIS 64 1.950 -11.580 -15.326
511 HD2 HIS 64 HD2 HIS 64 5.470 -12.348 -13.229
512 HE1 HIS 64 HE1 HIS 64 3.838 -11.405 -17.006
513 H PHE 65 HN PHE 65 4.788 -9.974 -10.483
514 HA PHE 65 HA PHE 65 2.473 -8.124 -10.167
515 1HB PHE 65 HB2 PHE 65 3.718 -7.307 -8.055
516 2HB PHE 65 HB1 PHE 65 2.802 -8.801 -7.944
517 HD1 PHE 65 HD2 PHE 65 4.164 -11.001 -8.592
518 HD2 PHE 65 HD1 PHE 65 5.929 -7.295 -7.326
519 HE1 PHE 65 HE2 PHE 65 6.237 -12.204 -7.950
520 HE2 PHE 65 HE1 PHE 65 7.998 -8.498 -6.684
521 HZ PHE 65 HZ PHE 65 8.153 -10.953 -6.996
522 H SER 66 HN SER 66 3.325 -5.865 -9.686
523 HA SER 66 HA SER 66 5.991 -5.195 -10.665
524 1HB SER 66 HB2 SER 66 4.017 -5.502 -12.619
525 2HB SER 66 HB1 SER 66 4.071 -3.765 -12.338
526 HG SER 66 HG SER 66 6.410 -3.998 -12.547
527 H LEU 67 HN LEU 67 6.462 -2.927 -10.263
528 HA LEU 67 HA LEU 67 4.904 -1.818 -8.095
529 1HB LEU 67 HB2 LEU 67 7.235 -1.291 -8.098
530 2HB LEU 67 HB1 LEU 67 7.170 -0.700 -9.759
531 HG LEU 67 HG LEU 67 5.608 1.117 -8.995
532 1HD1 LEU 67 HD11 LEU 67 5.274 -0.441 -6.767
533 2HD1 LEU 67 HD13 LEU 67 6.403 0.776 -6.174
534 3HD1 LEU 67 HD12 LEU 67 4.856 1.270 -6.860
535 1HD2 LEU 67 HD21 LEU 67 8.226 1.217 -9.073
536 2HD2 LEU 67 HD23 LEU 67 7.348 2.512 -8.259
537 3HD2 LEU 67 HD22 LEU 67 8.106 1.230 -7.314
538 H PHE 68 HN PHE 68 2.835 -1.267 -8.669
539 HA PHE 68 HA PHE 68 1.808 -0.263 -11.037
540 1HB PHE 68 HB2 PHE 68 0.149 -0.510 -9.460
541 2HB PHE 68 HB1 PHE 68 1.153 0.065 -8.147
542 HD1 PHE 68 HD1 PHE 68 -0.303 1.401 -11.347
543 HD2 PHE 68 HD2 PHE 68 0.521 2.069 -7.187
544 HE1 PHE 68 HE1 PHE 68 -1.398 3.622 -11.486
545 HE2 PHE 68 HE2 PHE 68 -0.571 4.286 -7.326
546 HZ PHE 68 HZ PHE 68 -1.527 5.061 -9.472
547 H GLU 69 HN GLU 69 2.385 1.991 -8.389
548 HA GLU 69 HA GLU 69 4.257 3.656 -9.845
549 1HB GLU 69 HB2 GLU 69 1.587 3.975 -10.611
550 2HB GLU 69 HB1 GLU 69 1.882 5.307 -9.493
551 1HG GLU 69 HG2 GLU 69 3.565 6.227 -10.819
552 2HG GLU 69 HG1 GLU 69 3.917 4.693 -11.613
553 H LYS 70 HN LYS 70 5.458 4.329 -8.133
554 HA LYS 70 HA LYS 70 4.247 4.686 -5.496
555 1HB LYS 70 HB2 LYS 70 6.604 5.128 -4.851
556 2HB LYS 70 HB1 LYS 70 6.424 3.596 -5.694
557 1HG LYS 70 HG2 LYS 70 7.994 4.314 -7.145
558 2HG LYS 70 HG1 LYS 70 6.829 5.512 -7.709
559 1HD LYS 70 HD2 LYS 70 8.734 6.782 -7.076
560 2HD LYS 70 HD1 LYS 70 7.611 6.954 -5.726
561 1HE LYS 70 HE2 LYS 70 8.773 5.117 -4.537
562 2HE LYS 70 HE1 LYS 70 9.917 4.992 -5.873
563 1HZ LYS 70 HZ3 LYS 70 10.414 7.397 -5.480
564 2HZ LYS 70 HZ2 LYS 70 9.512 7.287 -4.044
565 3HZ LYS 70 HZ1 LYS 70 10.914 6.350 -4.244
566 H LEU 71 HN LEU 71 4.720 6.711 -4.262
567 HA LEU 71 HA LEU 71 4.856 9.117 -6.036
568 1HB LEU 71 HB2 LEU 71 3.350 10.151 -4.164
569 2HB LEU 71 HB1 LEU 71 2.597 9.120 -5.377
570 HG LEU 71 HG LEU 71 2.905 7.175 -3.812
571 1HD1 LEU 71 HD11 LEU 71 4.038 9.397 -2.160
572 2HD1 LEU 71 HD13 LEU 71 3.135 8.124 -1.337
573 3HD1 LEU 71 HD12 LEU 71 4.564 7.719 -2.289
574 1HD2 LEU 71 HD22 LEU 71 1.010 9.298 -3.737
575 2HD2 LEU 71 HD21 LEU 71 0.770 7.621 -3.247
576 3HD2 LEU 71 HD23 LEU 71 1.315 8.816 -2.069
577 H GLU 72 HN GLU 72 4.952 11.043 -4.000
578 HA GLU 72 HA GLU 72 7.036 10.207 -2.093
579 1HB GLU 72 HB2 GLU 72 7.826 11.175 -4.578
580 2HB GLU 72 HB1 GLU 72 7.923 12.590 -3.528
581 1HG GLU 72 HG2 GLU 72 9.372 11.450 -1.985
582 2HG GLU 72 HG1 GLU 72 9.115 9.905 -2.798
583 H TYR 73 HN TYR 73 7.226 11.628 -0.345
584 HA TYR 73 HA TYR 73 5.642 14.144 -0.432
585 1HB TYR 73 HB2 TYR 73 4.700 11.825 0.809
586 2HB TYR 73 HB1 TYR 73 5.382 12.773 2.131
587 HD1 TYR 73 HD1 TYR 73 3.490 13.543 -1.030
588 HD2 TYR 73 HD2 TYR 73 3.817 14.106 3.217
589 HE1 TYR 73 HE1 TYR 73 1.508 15.035 -1.076
590 HE2 TYR 73 HE2 TYR 73 1.834 15.595 3.171
591 HH TYR 73 HH TYR 73 -0.331 15.700 0.825
592 H GLU 74 HN GLU 74 6.108 15.368 1.762
593 HA GLU 74 HA GLU 74 8.748 14.776 2.931
594 1HB GLU 74 HB2 GLU 74 9.079 16.070 0.710
595 2HB GLU 74 HB1 GLU 74 8.385 17.447 1.566
596 1HG GLU 74 HG2 GLU 74 10.146 16.823 3.417
597 2HG GLU 74 HG1 GLU 74 10.967 16.006 2.086
598 H PHE 75 HN PHE 75 8.291 15.042 5.028
599 HA PHE 75 HA PHE 75 6.210 16.881 5.945
600 1HB PHE 75 HB2 PHE 75 7.704 14.641 6.996
601 2HB PHE 75 HB1 PHE 75 7.792 15.989 8.124
602 HD1 PHE 75 HD2 PHE 75 5.074 14.984 5.752
603 HD2 PHE 75 HD1 PHE 75 6.256 15.517 9.848
604 HE1 PHE 75 HE2 PHE 75 2.750 14.516 6.484
605 HE2 PHE 75 HE1 PHE 75 3.933 15.049 10.579
606 HZ PHE 75 HZ PHE 75 2.181 14.550 8.898
607 HA PRO 76 HA PRO 76 8.753 20.284 7.110
608 1HB PRO 76 HB2 PRO 76 8.307 20.430 9.905
609 2HB PRO 76 HB1 PRO 76 7.372 21.236 8.639
610 1HG PRO 76 HG2 PRO 76 6.554 19.017 10.318
611 2HG PRO 76 HG1 PRO 76 5.598 19.880 9.104
612 1HD PRO 76 HD2 PRO 76 6.774 17.243 8.911
613 2HD PRO 76 HD1 PRO 76 5.743 18.071 7.729
614 H ASP 77 HN ASP 77 10.114 17.543 7.435
615 HA ASP 77 HA ASP 77 12.452 18.526 8.796
616 1HB ASP 77 HB2 ASP 77 12.307 16.244 10.247
617 2HB ASP 77 HB1 ASP 77 11.780 17.813 10.856
618 H ARG 78 HN ARG 78 10.852 15.622 7.542
619 HA ARG 78 HA ARG 78 13.398 14.957 6.182
620 1HB ARG 78 HB2 ARG 78 12.392 12.529 6.603
621 2HB ARG 78 HB1 ARG 78 13.434 13.313 7.778
622 1HG ARG 78 HG2 ARG 78 11.341 14.210 8.883
623 2HG ARG 78 HG1 ARG 78 10.413 13.163 7.808
624 1HD ARG 78 HD2 ARG 78 10.653 11.681 9.543
625 2HD ARG 78 HD1 ARG 78 12.195 11.364 8.748
626 HE ARG 78 HE ARG 78 12.758 13.462 10.468
627 1HH1 ARG 78 HH21 ARG 78 10.584 12.396 12.212
628 2HH1 ARG 78 HH22 ARG 78 11.427 11.245 13.194
629 1HH2 ARG 78 HH11 ARG 78 14.188 11.086 11.102
630 2HH2 ARG 78 HH12 ARG 78 13.467 10.503 12.565
631 H HIS 79 HN HIS 79 12.767 12.994 4.580
632 HA HIS 79 HA HIS 79 10.411 13.975 3.028
633 1HB HIS 79 HB2 HIS 79 12.488 12.169 1.842
634 2HB HIS 79 HB1 HIS 79 11.525 13.425 1.065
635 HD1 HIS 79 HD1 HIS 79 14.779 13.105 1.167
636 HD2 HIS 79 HD2 HIS 79 12.437 15.863 3.236
637 HE1 HIS 79 HE1 HIS 79 16.295 15.055 1.724
638 H ILE 80 HN ILE 80 8.667 12.633 3.087
639 HA ILE 80 HA ILE 80 9.029 9.871 4.066
640 HB ILE 80 HB ILE 80 6.422 11.169 3.266
641 1HG1 ILE 80 HG12 ILE 80 8.023 11.456 5.822
642 2HG1 ILE 80 HG11 ILE 80 7.418 12.744 4.780
643 1HG2 ILE 80 HG23 ILE 80 7.052 8.620 4.117
644 2HG2 ILE 80 HG22 ILE 80 6.597 9.419 5.623
645 3HG2 ILE 80 HG21 ILE 80 5.464 9.373 4.271
646 1HD1 ILE 80 HD13 ILE 80 5.071 11.715 5.295
647 2HD1 ILE 80 HD12 ILE 80 5.890 10.974 6.670
648 3HD1 ILE 80 HD11 ILE 80 5.842 12.730 6.512
649 H THR 81 HN THR 81 10.063 8.931 2.218
650 HA THR 81 HA THR 81 8.679 9.006 -0.378
651 HB THR 81 HB THR 81 10.939 7.130 0.241
652 HG1 THR 81 HG1 THR 81 11.781 8.917 1.114
653 1HG2 THR 81 HG22 THR 81 9.619 7.626 -2.035
654 2HG2 THR 81 HG21 THR 81 10.802 8.931 -2.132
655 3HG2 THR 81 HG23 THR 81 11.344 7.256 -2.020
656 H LEU 82 HN LEU 82 7.032 7.623 -0.814
657 HA LEU 82 HA LEU 82 7.007 4.996 0.618
658 1HB LEU 82 HB2 LEU 82 5.074 7.049 0.673
659 2HB LEU 82 HB1 LEU 82 4.402 5.785 -0.360
660 HG LEU 82 HG LEU 82 5.724 4.772 2.066
661 1HD1 LEU 82 HD12 LEU 82 4.595 6.967 2.779
662 2HD1 LEU 82 HD11 LEU 82 3.068 6.176 2.387
663 3HD1 LEU 82 HD13 LEU 82 4.107 5.511 3.647
664 1HD2 LEU 82 HD21 LEU 82 3.786 3.976 0.172
665 2HD2 LEU 82 HD23 LEU 82 4.344 3.059 1.570
666 3HD2 LEU 82 HD22 LEU 82 2.932 4.107 1.709
667 H TRP 83 HN TRP 83 6.723 3.183 -0.650
668 HA TRP 83 HA TRP 83 6.722 3.626 -3.586
669 1HB TRP 83 HB2 TRP 83 6.983 0.891 -2.417
670 2HB TRP 83 HB1 TRP 83 7.825 1.609 -3.788
671 HD1 TRP 83 HD1 TRP 83 7.997 1.235 -0.018
672 HE1 TRP 83 HE1 TRP 83 10.274 2.108 0.817
673 HE3 TRP 83 HE3 TRP 83 9.765 3.349 -4.320
674 HZ2 TRP 83 HZ2 TRP 83 12.546 3.518 -0.203
675 HZ3 TRP 83 HZ3 TRP 83 11.985 4.448 -4.360
676 HH2 TRP 83 HH2 TRP 83 13.376 4.535 -2.309
677 H PHE 84 HN PHE 84 5.375 2.055 -4.893
678 HA PHE 84 HA PHE 84 2.857 1.315 -3.467
679 1HB PHE 84 HB2 PHE 84 3.255 3.129 -5.762
680 2HB PHE 84 HB1 PHE 84 1.983 1.928 -5.988
681 HD1 PHE 84 HD2 PHE 84 3.237 4.497 -3.582
682 HD2 PHE 84 HD1 PHE 84 -0.116 2.192 -4.958
683 HE1 PHE 84 HE2 PHE 84 1.732 5.804 -2.105
684 HE2 PHE 84 HE1 PHE 84 -1.620 3.497 -3.482
685 HZ PHE 84 HZ PHE 84 -0.697 5.304 -2.055
686 H TRP 85 HN TRP 85 4.062 -0.817 -3.514
687 HA TRP 85 HA TRP 85 4.431 -2.076 -6.121
688 1HB TRP 85 HB2 TRP 85 4.351 -3.504 -3.458
689 2HB TRP 85 HB1 TRP 85 5.250 -3.949 -4.910
690 HD1 TRP 85 HD1 TRP 85 6.603 -1.238 -5.617
691 HE1 TRP 85 HE1 TRP 85 8.453 -0.261 -4.110
692 HE3 TRP 85 HE3 TRP 85 5.558 -3.674 -1.255
693 HZ2 TRP 85 HZ2 TRP 85 9.366 -0.483 -1.408
694 HZ3 TRP 85 HZ3 TRP 85 6.931 -3.271 0.768
695 HH2 TRP 85 HH2 TRP 85 8.831 -1.680 0.698
696 H LEU 86 HN LEU 86 2.298 -1.918 -7.002
697 HA LEU 86 HA LEU 86 0.104 -3.320 -5.626
698 1HB LEU 86 HB2 LEU 86 -0.352 -1.228 -6.852
699 2HB LEU 86 HB1 LEU 86 0.240 -1.968 -8.338
700 HG LEU 86 HG LEU 86 -1.563 -3.578 -8.333
701 1HD1 LEU 86 HD11 LEU 86 -1.614 -3.861 -5.835
702 2HD1 LEU 86 HD13 LEU 86 -2.455 -2.316 -5.726
703 3HD1 LEU 86 HD12 LEU 86 -3.214 -3.676 -6.548
704 1HD2 LEU 86 HD22 LEU 86 -1.888 -0.966 -8.860
705 2HD2 LEU 86 HD21 LEU 86 -3.226 -2.107 -8.976
706 3HD2 LEU 86 HD23 LEU 86 -3.043 -1.108 -7.535
707 H VAL 87 HN VAL 87 0.326 -5.554 -5.731
708 HA VAL 87 HA VAL 87 1.457 -6.790 -8.136
709 HB VAL 87 HB VAL 87 1.327 -8.832 -6.862
710 1HG1 VAL 87 HG12 VAL 87 2.807 -6.612 -6.153
711 2HG1 VAL 87 HG11 VAL 87 2.117 -7.146 -4.620
712 3HG1 VAL 87 HG13 VAL 87 3.092 -8.257 -5.583
713 1HG2 VAL 87 HG22 VAL 87 -0.945 -7.808 -5.770
714 2HG2 VAL 87 HG21 VAL 87 -0.081 -9.200 -5.120
715 3HG2 VAL 87 HG23 VAL 87 0.197 -7.596 -4.443
716 H GLU 88 HN GLU 88 0.192 -8.912 -8.801
717 HA GLU 88 HA GLU 88 -2.719 -8.285 -8.976
718 1HB GLU 88 HB2 GLU 88 -0.942 -9.201 -11.257
719 2HB GLU 88 HB1 GLU 88 -2.690 -8.990 -11.345
720 1HG GLU 88 HG2 GLU 88 -2.478 -6.770 -11.653
721 2HG GLU 88 HG1 GLU 88 -1.420 -6.623 -10.248
722 H ARG 89 HN ARG 89 -0.188 -10.693 -8.719
723 HA ARG 89 HA ARG 89 -2.261 -12.685 -8.117
724 1HB ARG 89 HB2 ARG 89 -0.402 -12.771 -10.437
725 2HB ARG 89 HB1 ARG 89 -0.612 -14.275 -9.542
726 1HG ARG 89 HG2 ARG 89 -2.743 -12.618 -10.891
727 2HG ARG 89 HG1 ARG 89 -2.278 -14.282 -11.247
728 1HD ARG 89 HD2 ARG 89 -2.888 -14.425 -8.583
729 2HD ARG 89 HD1 ARG 89 -4.055 -13.232 -9.155
730 HE ARG 89 HE ARG 89 -4.522 -15.901 -9.505
731 1HH1 ARG 89 HH21 ARG 89 -4.669 -13.093 -11.362
732 2HH1 ARG 89 HH22 ARG 89 -5.013 -13.895 -12.857
733 1HH2 ARG 89 HH11 ARG 89 -4.521 -17.077 -11.572
734 2HH2 ARG 89 HH12 ARG 89 -4.929 -16.150 -12.978
735 H TRP 90 HN TRP 90 -1.566 -14.351 -6.805
736 HA TRP 90 HA TRP 90 1.192 -14.795 -6.160
737 1HB TRP 90 HB2 TRP 90 1.260 -14.050 -3.855
738 2HB TRP 90 HB1 TRP 90 0.911 -12.690 -4.892
739 HD1 TRP 90 HD1 TRP 90 -0.166 -14.264 -1.820
740 HE1 TRP 90 HE1 TRP 90 -2.469 -13.421 -1.037
741 HE3 TRP 90 HE3 TRP 90 -1.706 -11.932 -6.104
742 HZ2 TRP 90 HZ2 TRP 90 -4.695 -11.937 -2.158
743 HZ3 TRP 90 HZ3 TRP 90 -3.909 -10.822 -6.212
744 HH2 TRP 90 HH2 TRP 90 -5.402 -10.820 -4.241
745 H GLU 91 HN GLU 91 1.072 -16.000 -3.772
746 HA GLU 91 HA GLU 91 -0.720 -18.275 -4.401
747 1HB GLU 91 HB2 GLU 91 1.593 -18.813 -3.941
748 2HB GLU 91 HB1 GLU 91 1.532 -17.955 -2.402
749 1HG GLU 91 HG2 GLU 91 0.458 -19.658 -1.349
750 2HG GLU 91 HG1 GLU 91 -0.559 -20.005 -2.748
751 H GLY 92 HN GLY 92 0.284 -17.301 -1.167
752 1HA GLY 92 HA2 GLY 92 -2.056 -17.935 0.167
753 2HA GLY 92 HA1 GLY 92 -0.989 -16.640 0.698
754 H GLU 93 HN GLU 93 -3.482 -16.082 1.267
755 HA GLU 93 HA GLU 93 -4.803 -14.714 -0.931
756 1HB GLU 93 HB2 GLU 93 -5.646 -15.841 1.502
757 2HB GLU 93 HB1 GLU 93 -6.057 -14.127 1.561
758 1HG GLU 93 HG2 GLU 93 -7.354 -14.262 -0.429
759 2HG GLU 93 HG1 GLU 93 -6.686 -15.837 -0.849
760 HA PRO 94 HA PRO 94 -3.427 -10.856 1.558
761 1HB PRO 94 HB2 PRO 94 -1.350 -11.279 3.285
762 2HB PRO 94 HB1 PRO 94 -3.035 -11.566 3.742
763 1HG PRO 94 HG2 PRO 94 -0.897 -13.545 3.195
764 2HG PRO 94 HG1 PRO 94 -2.399 -13.744 4.105
765 1HD PRO 94 HD2 PRO 94 -1.909 -14.561 1.376
766 2HD PRO 94 HD1 PRO 94 -3.399 -14.699 2.299
767 H TRP 95 HN TRP 95 -0.872 -9.962 2.153
768 HA TRP 95 HA TRP 95 1.459 -10.575 1.129
769 1HB TRP 95 HB2 TRP 95 0.251 -11.066 -1.130
770 2HB TRP 95 HB1 TRP 95 0.349 -9.318 -1.344
771 HD1 TRP 95 HD1 TRP 95 2.659 -12.245 -0.335
772 HE1 TRP 95 HE1 TRP 95 5.049 -11.741 -1.149
773 HE3 TRP 95 HE3 TRP 95 1.904 -7.630 -2.375
774 HZ2 TRP 95 HZ2 TRP 95 6.452 -9.631 -2.514
775 HZ3 TRP 95 HZ3 TRP 95 3.778 -6.395 -3.421
776 HH2 TRP 95 HH2 TRP 95 6.050 -7.386 -3.492
777 H GLY 96 HN GLY 96 0.235 -8.612 2.815
778 1HA GLY 96 HA2 GLY 96 1.764 -6.246 1.835
779 2HA GLY 96 HA1 GLY 96 0.145 -6.003 2.481
780 H LYS 97 HN LYS 97 -0.070 -5.827 4.663
781 HA LYS 97 HA LYS 97 2.397 -6.066 6.291
782 1HB LYS 97 HB2 LYS 97 0.317 -4.216 6.272
783 2HB LYS 97 HB1 LYS 97 -0.022 -5.204 7.693
784 1HG LYS 97 HG2 LYS 97 2.715 -4.046 7.119
785 2HG LYS 97 HG1 LYS 97 1.507 -3.210 8.096
786 1HD LYS 97 HD2 LYS 97 1.444 -5.663 9.258
787 2HD LYS 97 HD1 LYS 97 3.130 -5.604 8.742
788 1HE LYS 97 HE2 LYS 97 2.124 -3.122 9.995
789 2HE LYS 97 HE1 LYS 97 2.215 -4.514 11.072
790 1HZ LYS 97 HZ2 LYS 97 4.490 -3.994 9.308
791 2HZ LYS 97 HZ1 LYS 97 4.278 -2.967 10.645
792 3HZ LYS 97 HZ3 LYS 97 4.461 -4.636 10.881
793 H GLU 98 HN GLU 98 2.505 -7.460 8.103
794 HA GLU 98 HA GLU 98 0.474 -9.637 8.069
795 1HB GLU 98 HB2 GLU 98 2.961 -10.144 7.804
796 2HB GLU 98 HB1 GLU 98 3.144 -9.655 9.490
797 1HG GLU 98 HG2 GLU 98 0.928 -11.534 9.045
798 2HG GLU 98 HG1 GLU 98 2.513 -12.203 8.652
799 H GLY 99 HN GLY 99 -0.852 -9.946 9.811
800 1HA GLY 99 HA2 GLY 99 -1.493 -9.849 12.113
801 2HA GLY 99 HA1 GLY 99 -0.146 -8.755 12.422
802 H GLN 100 HN GLN 100 -1.282 -7.422 9.775
803 HA GLN 100 HA GLN 100 -2.919 -5.472 11.248
804 1HB GLN 100 HB2 GLN 100 -1.161 -4.687 9.699
805 2HB GLN 100 HB1 GLN 100 -1.963 -5.519 8.367
806 1HG GLN 100 HG2 GLN 100 -2.809 -3.372 8.126
807 2HG GLN 100 HG1 GLN 100 -4.048 -4.113 9.140
808 1HE2 GLN 100 HE22 GLN 100 -2.894 -0.846 10.674
809 2HE2 GLN 100 HE21 GLN 100 -3.473 -1.249 9.130
810 HA PRO 101 HA PRO 101 -6.749 -7.280 10.080
811 1HB PRO 101 HB2 PRO 101 -8.023 -4.701 9.894
812 2HB PRO 101 HB1 PRO 101 -8.170 -5.906 11.179
813 1HG PRO 101 HG2 PRO 101 -6.753 -3.407 11.292
814 2HG PRO 101 HG1 PRO 101 -6.860 -4.646 12.549
815 1HD PRO 101 HD2 PRO 101 -4.580 -3.983 10.917
816 2HD PRO 101 HD1 PRO 101 -4.689 -5.222 12.181
817 H GLY 102 HN GLY 102 -6.935 -4.140 8.522
818 1HA GLY 102 HA2 GLY 102 -7.388 -3.591 6.293
819 2HA GLY 102 HA1 GLY 102 -6.157 -4.775 5.892
820 H GLU 103 HN GLU 103 -8.159 -4.684 4.058
821 HA GLU 103 HA GLU 103 -9.486 -7.271 4.511
822 1HB GLU 103 HB2 GLU 103 -11.785 -6.181 4.018
823 2HB GLU 103 HB1 GLU 103 -11.138 -6.062 5.655
824 1HG GLU 103 HG2 GLU 103 -10.073 -3.865 4.225
825 2HG GLU 103 HG1 GLU 103 -11.787 -3.937 3.816
826 H TRP 104 HN TRP 104 -11.118 -7.667 2.615
827 HA TRP 104 HA TRP 104 -9.663 -6.988 0.128
828 1HB TRP 104 HB2 TRP 104 -11.505 -9.162 1.001
829 2HB TRP 104 HB1 TRP 104 -11.520 -8.727 -0.708
830 HD1 TRP 104 HD1 TRP 104 -8.494 -8.799 1.686
831 HE1 TRP 104 HE1 TRP 104 -6.721 -10.391 0.702
832 HE3 TRP 104 HE3 TRP 104 -11.045 -10.559 -2.375
833 HZ2 TRP 104 HZ2 TRP 104 -6.425 -12.174 -1.514
834 HZ3 TRP 104 HZ3 TRP 104 -9.993 -12.203 -3.904
835 HH2 TRP 104 HH2 TRP 104 -7.688 -13.011 -3.478
836 H MET 105 HN MET 105 -10.688 -5.947 -1.625
837 HA MET 105 HA MET 105 -13.327 -4.698 -0.982
838 1HB MET 105 HB2 MET 105 -10.880 -3.560 -1.879
839 2HB MET 105 HB1 MET 105 -12.011 -3.466 -3.228
840 1HG MET 105 HG2 MET 105 -13.688 -2.411 -1.755
841 2HG MET 105 HG1 MET 105 -12.558 -2.504 -0.403
842 1HE MET 105 HE1 MET 105 -10.329 -1.633 -0.362
843 2HE MET 105 HE3 MET 105 -9.952 0.016 -0.881
844 3HE MET 105 HE2 MET 105 -11.272 -0.276 0.250
845 H SER 106 HN SER 106 -14.317 -4.036 -3.396
846 HA SER 106 HA SER 106 -14.114 -6.512 -5.046
847 1HB SER 106 HB2 SER 106 -16.146 -6.755 -3.758
848 2HB SER 106 HB1 SER 106 -16.638 -5.107 -4.141
849 HG SER 106 HG SER 106 -17.376 -5.792 -5.982
850 H LEU 107 HN LEU 107 -12.917 -3.890 -5.436
851 HA LEU 107 HA LEU 107 -12.900 -2.080 -6.995
852 1HB LEU 107 HB2 LEU 107 -11.969 -4.287 -8.029
853 2HB LEU 107 HB1 LEU 107 -13.458 -4.279 -8.975
854 HG LEU 107 HG LEU 107 -12.636 -1.681 -9.243
855 1HD1 LEU 107 HD11 LEU 107 -10.380 -3.143 -8.275
856 2HD1 LEU 107 HD13 LEU 107 -10.085 -2.755 -9.970
857 3HD1 LEU 107 HD12 LEU 107 -10.436 -1.466 -8.819
858 1HD2 LEU 107 HD21 LEU 107 -13.355 -3.439 -10.965
859 2HD2 LEU 107 HD23 LEU 107 -12.136 -2.283 -11.502
860 3HD2 LEU 107 HD22 LEU 107 -11.658 -3.916 -11.036
861 H VAL 108 HN VAL 108 -15.301 -1.708 -5.995
862 HA VAL 108 HA VAL 108 -17.236 -1.885 -8.268
863 HB VAL 108 HB VAL 108 -17.674 -1.556 -5.289
864 1HG1 VAL 108 HG11 VAL 108 -19.368 -0.887 -7.595
865 2HG1 VAL 108 HG13 VAL 108 -20.138 -2.003 -6.467
866 3HG1 VAL 108 HG12 VAL 108 -19.554 -0.439 -5.899
867 1HG2 VAL 108 HG23 VAL 108 -18.100 -3.755 -7.308
868 2HG2 VAL 108 HG22 VAL 108 -17.303 -3.839 -5.737
869 3HG2 VAL 108 HG21 VAL 108 -19.059 -3.699 -5.829
870 H GLY 109 HN GLY 109 -15.906 0.330 -5.827
871 1HA GLY 109 HA2 GLY 109 -16.475 2.568 -7.669
872 2HA GLY 109 HA1 GLY 109 -17.228 2.652 -6.076
873 H LEU 110 HN LEU 110 -14.025 1.281 -6.741
874 HA LEU 110 HA LEU 110 -12.703 2.442 -4.614
875 1HB LEU 110 HB2 LEU 110 -11.942 1.168 -7.065
876 2HB LEU 110 HB1 LEU 110 -10.901 2.565 -6.799
877 HG LEU 110 HG LEU 110 -11.474 0.431 -4.732
878 1HD1 LEU 110 HD12 LEU 110 -9.868 0.196 -6.971
879 2HD1 LEU 110 HD11 LEU 110 -8.731 0.742 -5.737
880 3HD1 LEU 110 HD13 LEU 110 -9.673 -0.727 -5.481
881 1HD2 LEU 110 HD21 LEU 110 -9.923 2.994 -4.778
882 2HD2 LEU 110 HD23 LEU 110 -10.882 2.292 -3.476
883 3HD2 LEU 110 HD22 LEU 110 -9.279 1.650 -3.837
884 H ASN 111 HN ASN 111 -11.856 4.466 -4.167
885 HA ASN 111 HA ASN 111 -11.580 6.491 -6.257
886 1HB ASN 111 HB2 ASN 111 -14.099 6.265 -5.264
887 2HB ASN 111 HB1 ASN 111 -13.406 7.405 -4.112
888 1HD2 ASN 111 HD22 ASN 111 -14.129 8.583 -7.942
889 2HD2 ASN 111 HD21 ASN 111 -14.385 6.975 -7.465
890 H ALA 112 HN ALA 112 -10.488 8.402 -5.454
891 HA ALA 112 HA ALA 112 -8.589 7.924 -3.378
892 1HB ALA 112 HB3 ALA 112 -8.263 9.598 -5.179
893 2HB ALA 112 HB2 ALA 112 -9.552 10.584 -4.487
894 3HB ALA 112 HB1 ALA 112 -8.058 10.322 -3.585
895 H ASP 113 HN ASP 113 -11.891 8.810 -3.243
896 HA ASP 113 HA ASP 113 -11.985 10.429 -0.909
897 1HB ASP 113 HB2 ASP 113 -13.861 9.776 -2.564
898 2HB ASP 113 HB1 ASP 113 -14.070 8.356 -1.547
899 H ASP 114 HN ASP 114 -12.003 6.886 -1.288
900 HA ASP 114 HA ASP 114 -12.190 6.457 1.597
901 1HB ASP 114 HB2 ASP 114 -12.593 4.862 -0.645
902 2HB ASP 114 HB1 ASP 114 -11.082 4.245 0.021
903 H PHE 115 HN PHE 115 -9.770 7.392 -0.559
904 HA PHE 115 HA PHE 115 -7.617 6.302 1.190
905 1HB PHE 115 HB2 PHE 115 -7.764 7.181 -1.656
906 2HB PHE 115 HB1 PHE 115 -6.241 7.446 -0.805
907 HD1 PHE 115 HD1 PHE 115 -5.085 5.493 0.309
908 HD2 PHE 115 HD2 PHE 115 -8.448 5.000 -2.316
909 HE1 PHE 115 HE1 PHE 115 -4.525 3.093 0.040
910 HE2 PHE 115 HE2 PHE 115 -7.888 2.599 -2.585
911 HZ PHE 115 HZ PHE 115 -5.925 1.646 -1.406
912 HA PRO 116 HA PRO 116 -7.960 10.357 3.111
913 1HB PRO 116 HB2 PRO 116 -5.451 9.571 4.413
914 2HB PRO 116 HB1 PRO 116 -7.022 9.924 5.143
915 1HG PRO 116 HG2 PRO 116 -5.851 7.365 4.809
916 2HG PRO 116 HG1 PRO 116 -7.514 7.700 5.306
917 1HD PRO 116 HD2 PRO 116 -6.601 6.590 2.794
918 2HD PRO 116 HD1 PRO 116 -8.272 6.898 3.312
919 HA PRO 117 HA PRO 117 -5.340 12.803 0.639
920 1HB PRO 117 HB2 PRO 117 -4.432 14.496 2.803
921 2HB PRO 117 HB1 PRO 117 -5.636 14.853 1.557
922 1HG PRO 117 HG2 PRO 117 -6.116 14.303 4.336
923 2HG PRO 117 HG1 PRO 117 -7.319 14.602 3.073
924 1HD PRO 117 HD2 PRO 117 -6.716 12.106 4.379
925 2HD PRO 117 HD1 PRO 117 -7.915 12.407 3.104
926 H ALA 118 HN ALA 118 -2.975 13.965 0.951
927 HA ALA 118 HA ALA 118 -0.682 13.706 1.475
928 1HB ALA 118 HB2 ALA 118 -1.804 12.334 3.551
929 2HB ALA 118 HB1 ALA 118 -0.939 11.040 2.721
930 3HB ALA 118 HB3 ALA 118 -0.067 12.468 3.279
931 H ASN 119 HN ASN 119 -2.693 11.267 0.024
932 HA ASN 119 HA ASN 119 -0.324 10.356 -1.546
933 1HB ASN 119 HB2 ASN 119 -2.363 8.867 -0.072
934 2HB ASN 119 HB1 ASN 119 -2.219 8.350 -1.747
935 1HD2 ASN 119 HD22 ASN 119 1.120 8.040 0.647
936 2HD2 ASN 119 HD21 ASN 119 0.000 9.278 0.949
937 H GLU 120 HN GLU 120 -1.963 12.581 -2.266
938 HA GLU 120 HA GLU 120 -4.018 11.812 -4.120
939 1HB GLU 120 HB2 GLU 120 -2.464 14.392 -3.864
940 2HB GLU 120 HB1 GLU 120 -3.921 14.178 -4.836
941 1HG GLU 120 HG2 GLU 120 -4.434 13.155 -2.211
942 2HG GLU 120 HG1 GLU 120 -3.745 14.771 -2.054
943 HA PRO 121 HA PRO 121 -0.449 12.791 -7.324
944 1HB PRO 121 HB2 PRO 121 1.871 11.434 -6.284
945 2HB PRO 121 HB1 PRO 121 1.688 13.147 -6.689
946 1HG PRO 121 HG2 PRO 121 1.870 12.008 -4.072
947 2HG PRO 121 HG1 PRO 121 1.557 13.699 -4.483
948 1HD PRO 121 HD2 PRO 121 -0.295 11.714 -3.455
949 2HD PRO 121 HD1 PRO 121 -0.572 13.449 -3.705
950 H VAL 122 HN VAL 122 -0.422 9.758 -5.388
951 HA VAL 122 HA VAL 122 -0.191 8.278 -7.952
952 HB VAL 122 HB VAL 122 0.766 7.841 -5.254
953 1HG1 VAL 122 HG13 VAL 122 -1.103 5.780 -6.373
954 2HG1 VAL 122 HG12 VAL 122 0.316 5.268 -5.463
955 3HG1 VAL 122 HG11 VAL 122 -0.892 6.305 -4.704
956 1HG2 VAL 122 HG23 VAL 122 1.933 7.712 -7.535
957 2HG2 VAL 122 HG22 VAL 122 2.327 6.450 -6.368
958 3HG2 VAL 122 HG21 VAL 122 1.204 6.111 -7.686
959 H ILE 123 HN ILE 123 -2.237 8.566 -5.051
960 HA ILE 123 HA ILE 123 -4.236 6.691 -5.715
961 HB ILE 123 HB ILE 123 -4.494 9.384 -4.363
962 1HG1 ILE 123 HG12 ILE 123 -2.886 7.651 -3.417
963 2HG1 ILE 123 HG11 ILE 123 -4.169 8.167 -2.323
964 1HG2 ILE 123 HG23 ILE 123 -6.636 8.381 -5.244
965 2HG2 ILE 123 HG22 ILE 123 -6.330 6.979 -4.218
966 3HG2 ILE 123 HG21 ILE 123 -6.590 8.565 -3.491
967 1HD1 ILE 123 HD13 ILE 123 -5.190 5.996 -3.858
968 2HD1 ILE 123 HD12 ILE 123 -3.596 5.522 -3.275
969 3HD1 ILE 123 HD11 ILE 123 -4.838 6.029 -2.132
970 H ALA 124 HN ALA 124 -3.657 9.950 -6.916
971 HA ALA 124 HA ALA 124 -6.091 10.545 -8.155
972 1HB ALA 124 HB1 ALA 124 -3.313 11.322 -8.502
973 2HB ALA 124 HB3 ALA 124 -4.146 11.254 -10.055
974 3HB ALA 124 HB2 ALA 124 -4.775 12.276 -8.761
975 H LYS 125 HN LYS 125 -3.539 8.366 -9.306
976 HA LYS 125 HA LYS 125 -4.947 7.778 -11.783
977 1HB LYS 125 HB2 LYS 125 -2.330 7.470 -10.877
978 2HB LYS 125 HB1 LYS 125 -2.936 5.819 -11.027
979 1HG LYS 125 HG2 LYS 125 -3.318 7.874 -13.209
980 2HG LYS 125 HG1 LYS 125 -1.895 6.833 -13.135
981 1HD LYS 125 HD2 LYS 125 -3.066 4.968 -13.740
982 2HD LYS 125 HD1 LYS 125 -4.497 5.451 -12.829
983 1HE LYS 125 HE2 LYS 125 -5.260 5.696 -15.015
984 2HE LYS 125 HE1 LYS 125 -4.672 7.324 -14.679
985 1HZ LYS 125 HZ3 LYS 125 -2.696 5.462 -15.692
986 2HZ LYS 125 HZ2 LYS 125 -3.923 5.883 -16.789
987 3HZ LYS 125 HZ1 LYS 125 -2.957 7.091 -16.086
988 H LEU 126 HN LEU 126 -4.666 6.239 -8.602
989 HA LEU 126 HA LEU 126 -5.563 3.674 -9.120
990 1HB LEU 126 HB2 LEU 126 -6.071 5.590 -6.883
991 2HB LEU 126 HB1 LEU 126 -6.816 4.009 -6.873
992 HG LEU 126 HG LEU 126 -4.636 4.048 -5.645
993 1HD1 LEU 126 HD13 LEU 126 -5.492 1.970 -6.715
994 2HD1 LEU 126 HD12 LEU 126 -4.609 2.387 -8.183
995 3HD1 LEU 126 HD11 LEU 126 -3.729 2.035 -6.697
996 1HD2 LEU 126 HD22 LEU 126 -3.554 5.728 -7.118
997 2HD2 LEU 126 HD21 LEU 126 -2.571 4.279 -6.938
998 3HD2 LEU 126 HD23 LEU 126 -3.500 4.539 -8.415
999 H LYS 127 HN LYS 127 -7.424 6.675 -9.185
1000 HA LYS 127 HA LYS 127 -10.025 5.549 -9.193
1001 1HB LYS 127 HB2 LYS 127 -8.884 8.033 -10.505
1002 2HB LYS 127 HB1 LYS 127 -10.598 7.674 -10.393
1003 1HG LYS 127 HG2 LYS 127 -10.384 7.540 -7.914
1004 2HG LYS 127 HG1 LYS 127 -8.696 8.019 -8.069
1005 1HD LYS 127 HD2 LYS 127 -10.320 9.852 -9.571
1006 2HD LYS 127 HD1 LYS 127 -10.969 9.716 -7.936
1007 1HE LYS 127 HE2 LYS 127 -9.261 10.927 -7.111
1008 2HE LYS 127 HE1 LYS 127 -8.089 9.817 -7.822
1009 1HZ LYS 127 HZ1 LYS 127 -8.472 11.012 -9.967
1010 2HZ LYS 127 HZ3 LYS 127 -9.355 12.174 -9.103
1011 3HZ LYS 127 HZ2 LYS 127 -7.708 11.937 -8.765
1012 H ARG 128 HN ARG 128 -7.888 6.475 -11.908
1013 HA ARG 128 HA ARG 128 -9.578 5.099 -13.832
1014 1HB ARG 128 HB2 ARG 128 -7.182 6.836 -13.878
1015 2HB ARG 128 HB1 ARG 128 -7.283 5.645 -15.168
1016 1HG ARG 128 HG2 ARG 128 -9.855 6.611 -15.087
1017 2HG ARG 128 HG1 ARG 128 -8.905 8.049 -14.711
1018 1HD ARG 128 HD2 ARG 128 -7.476 7.546 -16.721
1019 2HD ARG 128 HD1 ARG 128 -8.593 6.245 -17.127
1020 HE ARG 128 HE ARG 128 -10.223 8.479 -16.862
1021 1HH1 ARG 128 HH11 ARG 128 -8.115 10.258 -17.748
1022 2HH1 ARG 128 HH12 ARG 128 -8.168 10.145 -19.475
1023 1HH2 ARG 128 HH21 ARG 128 -9.989 7.196 -19.493
1024 2HH2 ARG 128 HH22 ARG 128 -9.227 8.412 -20.463
1025 H LEU 129 HN LEU 129 -7.747 3.869 -11.500
1026 HA LEU 129 HA LEU 129 -5.737 2.257 -12.056
1027 1HB LEU 129 HB2 LEU 129 -8.192 1.915 -10.579
1028 2HB LEU 129 HB1 LEU 129 -7.671 0.381 -11.249
1029 HG LEU 129 HG LEU 129 -5.517 2.007 -10.044
1030 1HD1 LEU 129 HD11 LEU 129 -7.985 1.313 -8.583
1031 2HD1 LEU 129 HD13 LEU 129 -6.502 0.765 -7.801
1032 3HD1 LEU 129 HD12 LEU 129 -6.726 2.473 -8.171
1033 1HD2 LEU 129 HD21 LEU 129 -5.536 -0.459 -10.942
1034 2HD2 LEU 129 HD23 LEU 129 -4.663 -0.098 -9.452
1035 3HD2 LEU 129 HD22 LEU 129 -6.264 -0.832 -9.379
No H/Q in entry = 1035
Start of MODEL 13
1 1H MET 1 HT2 MET 1 16.709 15.639 9.722
2 2H MET 1 HT1 MET 1 17.159 16.201 8.182
3 3H MET 1 HT3 MET 1 16.206 17.173 9.195
4 HA MET 1 HA MET 1 14.317 15.872 8.919
5 1HB MET 1 HB2 MET 1 15.701 15.625 6.239
6 2HB MET 1 HB1 MET 1 13.980 15.862 6.553
7 1HG MET 1 HG2 MET 1 15.126 18.008 7.858
8 2HG MET 1 HG1 MET 1 16.144 17.842 6.428
9 1HE MET 1 HE2 MET 1 14.553 20.363 6.997
10 2HE MET 1 HE1 MET 1 12.903 20.489 6.393
11 3HE MET 1 HE3 MET 1 13.249 19.533 7.841
12 H LYS 2 HN LYS 2 17.102 14.156 7.467
13 HA LYS 2 HA LYS 2 17.619 11.861 7.530
14 1HB LYS 2 HB2 LYS 2 15.943 12.290 9.814
15 2HB LYS 2 HB1 LYS 2 15.462 10.774 9.048
16 1HG LYS 2 HG2 LYS 2 17.237 9.813 10.050
17 2HG LYS 2 HG1 LYS 2 18.262 10.752 8.965
18 1HD LYS 2 HD2 LYS 2 18.321 12.599 10.578
19 2HD LYS 2 HD1 LYS 2 17.248 11.709 11.658
20 1HE LYS 2 HE2 LYS 2 18.890 10.051 12.102
21 2HE LYS 2 HE1 LYS 2 19.884 10.559 10.736
22 1HZ LYS 2 HZ2 LYS 2 19.633 12.810 12.246
23 2HZ LYS 2 HZ1 LYS 2 19.806 11.580 13.406
24 3HZ LYS 2 HZ3 LYS 2 20.986 11.785 12.205
25 H LYS 3 HN LYS 3 17.179 11.163 5.474
26 HA LYS 3 HA LYS 3 14.700 11.211 4.141
27 1HB LYS 3 HB2 LYS 3 17.126 10.568 3.315
28 2HB LYS 3 HB1 LYS 3 16.591 8.927 3.680
29 1HG LYS 3 HG2 LYS 3 15.356 8.859 1.801
30 2HG LYS 3 HG1 LYS 3 14.513 10.339 2.257
31 1HD LYS 3 HD2 LYS 3 16.231 11.712 1.269
32 2HD LYS 3 HD1 LYS 3 17.272 10.313 1.009
33 1HE LYS 3 HE2 LYS 3 14.584 10.073 -0.184
34 2HE LYS 3 HE1 LYS 3 15.587 11.345 -0.885
35 1HZ LYS 3 HZ3 LYS 3 17.380 9.466 -0.818
36 2HZ LYS 3 HZ2 LYS 3 16.021 8.447 -0.830
37 3HZ LYS 3 HZ1 LYS 3 16.267 9.553 -2.095
38 H LEU 4 HN LEU 4 12.832 10.231 4.747
39 HA LEU 4 HA LEU 4 13.028 7.542 6.043
40 1HB LEU 4 HB2 LEU 4 12.127 9.595 7.396
41 2HB LEU 4 HB1 LEU 4 10.674 9.382 6.416
42 HG LEU 4 HG LEU 4 10.690 6.943 7.113
43 1HD1 LEU 4 HD13 LEU 4 13.097 7.945 8.487
44 2HD1 LEU 4 HD12 LEU 4 12.020 7.003 9.517
45 3HD1 LEU 4 HD11 LEU 4 12.666 6.295 8.036
46 1HD2 LEU 4 HD22 LEU 4 10.098 9.315 8.768
47 2HD2 LEU 4 HD21 LEU 4 9.065 7.947 8.352
48 3HD2 LEU 4 HD23 LEU 4 10.223 7.806 9.675
49 H GLN 5 HN GLN 5 11.751 5.927 5.159
50 HA GLN 5 HA GLN 5 9.735 6.677 3.107
51 1HB GLN 5 HB2 GLN 5 11.892 6.274 1.911
52 2HB GLN 5 HB1 GLN 5 11.960 4.670 2.624
53 1HG GLN 5 HG2 GLN 5 10.351 3.845 1.231
54 2HG GLN 5 HG1 GLN 5 9.424 5.345 1.254
55 1HE2 GLN 5 HE22 GLN 5 12.677 5.447 -1.259
56 2HE2 GLN 5 HE21 GLN 5 12.870 4.864 0.324
57 H ILE 6 HN ILE 6 8.277 4.855 2.620
58 HA ILE 6 HA ILE 6 8.327 2.748 4.737
59 HB ILE 6 HB ILE 6 6.133 4.566 3.848
60 1HG1 ILE 6 HG12 ILE 6 5.563 3.663 6.359
61 2HG1 ILE 6 HG11 ILE 6 7.315 3.459 6.323
62 1HG2 ILE 6 HG21 ILE 6 5.340 2.321 3.104
63 2HG2 ILE 6 HG23 ILE 6 5.602 1.712 4.739
64 3HG2 ILE 6 HG22 ILE 6 4.386 2.955 4.445
65 1HD1 ILE 6 HD11 ILE 6 6.088 6.023 5.348
66 2HD1 ILE 6 HD13 ILE 6 6.317 5.759 7.077
67 3HD1 ILE 6 HD12 ILE 6 7.706 5.739 5.990
68 H ALA 7 HN ALA 7 7.019 0.770 3.993
69 HA ALA 7 HA ALA 7 7.258 0.446 1.033
70 1HB ALA 7 HB3 ALA 7 8.307 -1.305 3.243
71 2HB ALA 7 HB2 ALA 7 7.893 -2.003 1.678
72 3HB ALA 7 HB1 ALA 7 9.131 -0.751 1.785
73 H VAL 8 HN VAL 8 4.995 0.623 0.730
74 HA VAL 8 HA VAL 8 3.310 -1.367 2.216
75 HB VAL 8 HB VAL 8 2.462 0.931 2.265
76 1HG1 VAL 8 HG11 VAL 8 2.700 0.673 -0.724
77 2HG1 VAL 8 HG13 VAL 8 1.658 1.874 0.025
78 3HG1 VAL 8 HG12 VAL 8 3.398 1.913 0.311
79 1HG2 VAL 8 HG21 VAL 8 0.935 -1.135 1.935
80 2HG2 VAL 8 HG23 VAL 8 0.238 0.452 1.607
81 3HG2 VAL 8 HG22 VAL 8 0.766 -0.571 0.272
82 H GLY 9 HN GLY 9 1.822 -2.684 1.013
83 1HA GLY 9 HA2 GLY 9 2.373 -2.949 -1.891
84 2HA GLY 9 HA1 GLY 9 2.557 -4.374 -0.869
85 H ILE 10 HN ILE 10 0.422 -3.059 -2.949
86 HA ILE 10 HA ILE 10 -1.942 -3.775 -1.308
87 HB ILE 10 HB ILE 10 -2.243 -2.569 -4.016
88 1HG1 ILE 10 HG12 ILE 10 -1.471 -0.814 -1.664
89 2HG1 ILE 10 HG11 ILE 10 -0.263 -1.379 -2.812
90 1HG2 ILE 10 HG21 ILE 10 -3.774 -3.046 -1.712
91 2HG2 ILE 10 HG23 ILE 10 -3.558 -1.299 -1.787
92 3HG2 ILE 10 HG22 ILE 10 -4.270 -2.159 -3.152
93 1HD1 ILE 10 HD11 ILE 10 -2.658 -0.286 -4.096
94 2HD1 ILE 10 HD13 ILE 10 -1.771 0.888 -3.125
95 3HD1 ILE 10 HD12 ILE 10 -0.952 0.029 -4.427
96 H ILE 11 HN ILE 11 -3.535 -5.269 -2.350
97 HA ILE 11 HA ILE 11 -2.391 -6.811 -4.631
98 HB ILE 11 HB ILE 11 -3.352 -8.295 -2.207
99 1HG1 ILE 11 HG12 ILE 11 -0.648 -7.011 -2.644
100 2HG1 ILE 11 HG11 ILE 11 -1.747 -6.775 -1.295
101 1HG2 ILE 11 HG23 ILE 11 -2.436 -9.034 -4.722
102 2HG2 ILE 11 HG22 ILE 11 -1.011 -9.236 -3.705
103 3HG2 ILE 11 HG21 ILE 11 -2.504 -10.088 -3.311
104 1HD1 ILE 11 HD13 ILE 11 -1.064 -9.590 -1.657
105 2HD1 ILE 11 HD12 ILE 11 0.363 -8.592 -1.376
106 3HD1 ILE 11 HD11 ILE 11 -0.957 -8.593 -0.208
107 H ARG 12 HN ARG 12 -3.906 -7.695 -5.928
108 HA ARG 12 HA ARG 12 -6.710 -7.927 -4.953
109 1HB ARG 12 HB2 ARG 12 -6.442 -5.712 -6.114
110 2HB ARG 12 HB1 ARG 12 -5.997 -6.591 -7.578
111 1HG ARG 12 HG2 ARG 12 -8.236 -7.904 -7.113
112 2HG ARG 12 HG1 ARG 12 -8.650 -6.466 -6.180
113 1HD ARG 12 HD2 ARG 12 -9.450 -6.170 -8.457
114 2HD ARG 12 HD1 ARG 12 -8.099 -5.072 -8.178
115 HE ARG 12 HE ARG 12 -6.911 -7.347 -9.239
116 1HH1 ARG 12 HH11 ARG 12 -7.335 -4.566 -10.571
117 2HH1 ARG 12 HH12 ARG 12 -8.029 -5.059 -12.081
118 1HH2 ARG 12 HH21 ARG 12 -8.722 -8.284 -11.013
119 2HH2 ARG 12 HH22 ARG 12 -8.815 -7.162 -12.330
120 H ASN 13 HN ASN 13 -7.527 -9.872 -5.562
121 HA ASN 13 HA ASN 13 -6.088 -11.365 -7.707
122 1HB ASN 13 HB2 ASN 13 -7.396 -13.345 -6.568
123 2HB ASN 13 HB1 ASN 13 -5.937 -12.707 -5.813
124 1HD2 ASN 13 HD22 ASN 13 -9.384 -11.218 -4.149
125 2HD2 ASN 13 HD21 ASN 13 -9.182 -11.164 -5.832
126 H GLU 14 HN GLU 14 -7.896 -13.296 -8.352
127 HA GLU 14 HA GLU 14 -9.696 -11.924 -10.128
128 1HB GLU 14 HB2 GLU 14 -8.613 -14.326 -10.213
129 2HB GLU 14 HB1 GLU 14 -10.108 -14.795 -9.414
130 1HG GLU 14 HG2 GLU 14 -11.058 -14.836 -11.463
131 2HG GLU 14 HG1 GLU 14 -10.930 -13.076 -11.457
132 H ASN 15 HN ASN 15 -9.932 -12.497 -6.851
133 HA ASN 15 HA ASN 15 -12.808 -13.017 -6.750
134 1HB ASN 15 HB2 ASN 15 -11.033 -13.609 -4.948
135 2HB ASN 15 HB1 ASN 15 -11.152 -11.912 -4.480
136 1HD2 ASN 15 HD22 ASN 15 -13.829 -14.335 -2.945
137 2HD2 ASN 15 HD21 ASN 15 -12.250 -14.742 -3.419
138 H ASN 16 HN ASN 16 -11.188 -10.471 -7.875
139 HA ASN 16 HA ASN 16 -11.620 -8.199 -8.102
140 1HB ASN 16 HB2 ASN 16 -13.698 -8.981 -9.041
141 2HB ASN 16 HB1 ASN 16 -14.362 -9.284 -7.440
142 1HD2 ASN 16 HD22 ASN 16 -13.805 -5.302 -8.314
143 2HD2 ASN 16 HD21 ASN 16 -12.563 -6.409 -8.649
144 H GLU 17 HN GLU 17 -10.509 -8.853 -5.656
145 HA GLU 17 HA GLU 17 -11.710 -6.747 -3.939
146 1HB GLU 17 HB2 GLU 17 -10.775 -9.417 -2.845
147 2HB GLU 17 HB1 GLU 17 -11.557 -8.113 -1.954
148 1HG GLU 17 HG2 GLU 17 -13.345 -8.584 -4.003
149 2HG GLU 17 HG1 GLU 17 -12.754 -10.204 -3.630
150 H ILE 18 HN ILE 18 -10.087 -5.771 -2.529
151 HA ILE 18 HA ILE 18 -7.307 -6.440 -3.366
152 HB ILE 18 HB ILE 18 -7.984 -3.715 -2.344
153 1HG1 ILE 18 HG12 ILE 18 -8.526 -4.653 -5.182
154 2HG1 ILE 18 HG11 ILE 18 -9.764 -4.234 -3.998
155 1HG2 ILE 18 HG23 ILE 18 -6.010 -4.998 -4.218
156 2HG2 ILE 18 HG22 ILE 18 -6.318 -3.265 -4.315
157 3HG2 ILE 18 HG21 ILE 18 -5.703 -3.968 -2.819
158 1HD1 ILE 18 HD11 ILE 18 -7.927 -2.075 -4.045
159 2HD1 ILE 18 HD13 ILE 18 -8.272 -2.483 -5.725
160 3HD1 ILE 18 HD12 ILE 18 -9.592 -2.082 -4.627
161 H PHE 19 HN PHE 19 -5.639 -5.865 -1.628
162 HA PHE 19 HA PHE 19 -6.857 -6.221 1.079
163 1HB PHE 19 HB2 PHE 19 -5.520 -8.184 0.336
164 2HB PHE 19 HB1 PHE 19 -4.113 -7.133 0.159
165 HD1 PHE 19 HD2 PHE 19 -6.600 -8.426 2.609
166 HD2 PHE 19 HD1 PHE 19 -2.829 -6.447 2.051
167 HE1 PHE 19 HE2 PHE 19 -6.135 -8.627 5.037
168 HE2 PHE 19 HE1 PHE 19 -2.367 -6.646 4.481
169 HZ PHE 19 HZ PHE 19 -4.019 -7.738 5.973
170 H ILE 20 HN ILE 20 -6.901 -4.085 1.747
171 HA ILE 20 HA ILE 20 -4.291 -2.646 1.761
172 HB ILE 20 HB ILE 20 -6.910 -1.215 2.011
173 1HG1 ILE 20 HG12 ILE 20 -6.448 -1.041 -0.667
174 2HG1 ILE 20 HG11 ILE 20 -5.967 -2.712 -0.369
175 1HG2 ILE 20 HG23 ILE 20 -4.295 -0.455 1.964
176 2HG2 ILE 20 HG22 ILE 20 -4.738 -0.271 0.267
177 3HG2 ILE 20 HG21 ILE 20 -5.643 0.587 1.514
178 1HD1 ILE 20 HD12 ILE 20 -8.563 -1.576 0.672
179 2HD1 ILE 20 HD11 ILE 20 -8.436 -2.322 -0.923
180 3HD1 ILE 20 HD13 ILE 20 -8.098 -3.272 0.525
181 H THR 21 HN THR 21 -5.204 -0.632 3.581
182 HA THR 21 HA THR 21 -5.700 -2.318 5.997
183 HB THR 21 HB THR 21 -4.448 -0.116 6.963
184 HG1 THR 21 HG1 THR 21 -3.822 0.759 5.083
185 1HG2 THR 21 HG22 THR 21 -4.033 -2.671 7.215
186 2HG2 THR 21 HG21 THR 21 -2.832 -2.430 5.947
187 3HG2 THR 21 HG23 THR 21 -2.682 -1.568 7.478
188 H ARG 22 HN ARG 22 -7.395 -1.685 7.252
189 HA ARG 22 HA ARG 22 -8.436 1.071 7.014
190 1HB ARG 22 HB2 ARG 22 -9.580 -1.181 5.712
191 2HB ARG 22 HB1 ARG 22 -10.642 -0.756 7.052
192 1HG ARG 22 HG2 ARG 22 -10.579 1.620 6.281
193 2HG ARG 22 HG1 ARG 22 -9.650 1.095 4.876
194 1HD ARG 22 HD2 ARG 22 -11.666 0.804 3.880
195 2HD ARG 22 HD1 ARG 22 -11.768 -0.662 4.853
196 HE ARG 22 HE ARG 22 -13.627 1.316 5.117
197 1HH1 ARG 22 HH11 ARG 22 -12.382 2.988 6.986
198 2HH1 ARG 22 HH12 ARG 22 -12.577 2.213 8.524
199 1HH2 ARG 22 HH21 ARG 22 -13.307 -0.892 7.168
200 2HH2 ARG 22 HH22 ARG 22 -13.099 0.018 8.626
201 H ARG 23 HN ARG 23 -9.070 1.811 9.012
202 HA ARG 23 HA ARG 23 -8.713 0.171 11.340
203 1HB ARG 23 HB2 ARG 23 -9.870 2.210 12.427
204 2HB ARG 23 HB1 ARG 23 -8.315 2.474 11.653
205 1HG ARG 23 HG2 ARG 23 -9.271 3.564 9.824
206 2HG ARG 23 HG1 ARG 23 -10.842 2.797 10.063
207 1HD ARG 23 HD2 ARG 23 -9.628 4.844 11.942
208 2HD ARG 23 HD1 ARG 23 -10.838 5.210 10.713
209 HE ARG 23 HE ARG 23 -11.984 3.160 12.192
210 1HH1 ARG 23 HH11 ARG 23 -10.591 3.995 14.597
211 2HH1 ARG 23 HH12 ARG 23 -11.569 5.282 15.220
212 1HH2 ARG 23 HH21 ARG 23 -13.261 5.794 12.237
213 2HH2 ARG 23 HH22 ARG 23 -13.082 6.300 13.884
214 H ALA 24 HN ALA 24 -10.174 -1.615 10.984
215 HA ALA 24 HA ALA 24 -12.997 -1.252 10.547
216 1HB ALA 24 HB1 ALA 24 -11.253 -3.523 11.457
217 2HB ALA 24 HB3 ALA 24 -13.006 -3.668 11.597
218 3HB ALA 24 HB2 ALA 24 -12.265 -3.405 10.018
219 H ALA 25 HN ALA 25 -13.630 0.348 12.116
220 HA ALA 25 HA ALA 25 -14.303 -0.824 14.727
221 1HB ALA 25 HB2 ALA 25 -11.946 0.617 14.554
222 2HB ALA 25 HB1 ALA 25 -13.108 1.831 15.087
223 3HB ALA 25 HB3 ALA 25 -12.876 0.360 16.031
224 H ASP 26 HN ASP 26 -16.145 -0.253 12.880
225 HA ASP 26 HA ASP 26 -18.192 0.905 12.722
226 1HB ASP 26 HB2 ASP 26 -17.759 1.230 15.257
227 2HB ASP 26 HB1 ASP 26 -17.191 2.839 14.810
228 H ALA 27 HN ALA 27 -17.065 1.498 10.624
229 HA ALA 27 HA ALA 27 -16.298 4.385 10.572
230 1HB ALA 27 HB2 ALA 27 -15.069 2.134 9.429
231 2HB ALA 27 HB1 ALA 27 -15.859 2.953 8.081
232 3HB ALA 27 HB3 ALA 27 -14.697 3.824 9.082
233 H HIS 28 HN HIS 28 -18.957 4.112 10.810
234 HA HIS 28 HA HIS 28 -20.157 4.013 8.103
235 1HB HIS 28 HB2 HIS 28 -22.308 4.206 9.316
236 2HB HIS 28 HB1 HIS 28 -21.340 2.868 9.937
237 HD1 HIS 28 HD1 HIS 28 -22.242 6.461 10.763
238 HD2 HIS 28 HD2 HIS 28 -20.661 3.092 12.640
239 HE1 HIS 28 HE1 HIS 28 -22.094 7.019 13.228
240 H MET 29 HN MET 29 -19.420 6.296 10.689
241 HA MET 29 HA MET 29 -20.917 8.500 9.580
242 1HB MET 29 HB2 MET 29 -19.705 9.877 11.158
243 2HB MET 29 HB1 MET 29 -20.083 8.350 11.958
244 1HG MET 29 HG2 MET 29 -17.869 8.275 12.448
245 2HG MET 29 HG1 MET 29 -17.666 7.792 10.764
246 1HE MET 29 HE3 MET 29 -18.482 10.540 12.999
247 2HE MET 29 HE2 MET 29 -17.306 11.826 12.739
248 3HE MET 29 HE1 MET 29 -18.736 11.731 11.715
249 H ALA 30 HN ALA 30 -17.823 7.082 8.852
250 HA ALA 30 HA ALA 30 -17.543 8.782 6.512
251 1HB ALA 30 HB2 ALA 30 -16.692 10.233 8.420
252 2HB ALA 30 HB1 ALA 30 -15.398 9.053 8.630
253 3HB ALA 30 HB3 ALA 30 -15.537 9.951 7.118
254 H ASN 31 HN ASN 31 -16.743 7.395 5.022
255 HA ASN 31 HA ASN 31 -15.323 4.968 5.876
256 1HB ASN 31 HB2 ASN 31 -15.973 5.985 3.090
257 2HB ASN 31 HB1 ASN 31 -15.414 4.362 3.496
258 1HD2 ASN 31 HD22 ASN 31 -19.250 4.637 3.352
259 2HD2 ASN 31 HD21 ASN 31 -18.073 5.280 2.311
260 H LYS 32 HN LYS 32 -13.116 4.539 5.439
261 HA LYS 32 HA LYS 32 -11.514 6.492 3.945
262 1HB LYS 32 HB2 LYS 32 -10.126 7.200 5.790
263 2HB LYS 32 HB1 LYS 32 -11.804 7.496 6.249
264 1HG LYS 32 HG2 LYS 32 -11.138 6.394 8.149
265 2HG LYS 32 HG1 LYS 32 -11.552 4.983 7.176
266 1HD LYS 32 HD2 LYS 32 -9.429 4.290 7.525
267 2HD LYS 32 HD1 LYS 32 -8.945 5.559 6.401
268 1HE LYS 32 HE2 LYS 32 -9.132 5.772 9.419
269 2HE LYS 32 HE1 LYS 32 -7.668 5.845 8.436
270 1HZ LYS 32 HZ1 LYS 32 -9.546 7.739 7.515
271 2HZ LYS 32 HZ3 LYS 32 -9.306 7.951 9.181
272 3HZ LYS 32 HZ2 LYS 32 -7.981 7.998 8.120
273 H LEU 33 HN LEU 33 -9.727 5.483 3.092
274 HA LEU 33 HA LEU 33 -9.051 2.777 4.171
275 1HB LEU 33 HB2 LEU 33 -9.239 3.915 1.424
276 2HB LEU 33 HB1 LEU 33 -8.012 2.707 1.740
277 HG LEU 33 HG LEU 33 -10.238 1.667 2.997
278 1HD1 LEU 33 HD12 LEU 33 -11.638 3.386 1.918
279 2HD1 LEU 33 HD11 LEU 33 -11.042 2.879 0.338
280 3HD1 LEU 33 HD13 LEU 33 -12.024 1.779 1.304
281 1HD2 LEU 33 HD22 LEU 33 -8.524 0.502 1.600
282 2HD2 LEU 33 HD21 LEU 33 -10.170 0.017 1.195
283 3HD2 LEU 33 HD23 LEU 33 -9.305 1.150 0.157
284 H GLU 34 HN GLU 34 -6.601 2.428 3.012
285 HA GLU 34 HA GLU 34 -4.988 4.825 3.268
286 1HB GLU 34 HB2 GLU 34 -5.583 3.704 5.653
287 2HB GLU 34 HB1 GLU 34 -4.137 2.798 5.243
288 1HG GLU 34 HG2 GLU 34 -2.786 4.618 5.465
289 2HG GLU 34 HG1 GLU 34 -3.978 5.712 4.766
290 H PHE 35 HN PHE 35 -2.609 3.717 3.859
291 HA PHE 35 HA PHE 35 -2.176 1.533 1.881
292 1HB PHE 35 HB2 PHE 35 -0.692 4.158 2.110
293 2HB PHE 35 HB1 PHE 35 0.004 2.754 1.305
294 HD1 PHE 35 HD2 PHE 35 -2.974 5.010 1.307
295 HD2 PHE 35 HD1 PHE 35 -0.597 2.206 -0.914
296 HE1 PHE 35 HE2 PHE 35 -4.265 5.539 -0.743
297 HE2 PHE 35 HE1 PHE 35 -1.888 2.736 -2.963
298 HZ PHE 35 HZ PHE 35 -3.722 4.400 -2.878
299 HA PRO 36 HA PRO 36 -0.528 0.096 5.823
300 1HB PRO 36 HB2 PRO 36 0.348 -2.258 4.362
301 2HB PRO 36 HB1 PRO 36 -0.917 -2.127 5.591
302 1HG PRO 36 HG2 PRO 36 -1.287 -2.481 2.777
303 2HG PRO 36 HG1 PRO 36 -2.541 -2.210 3.993
304 1HD PRO 36 HD2 PRO 36 -1.612 -0.377 1.962
305 2HD PRO 36 HD1 PRO 36 -2.897 -0.123 3.160
306 H GLY 37 HN GLY 37 1.763 -1.731 5.467
307 1HA GLY 37 HA2 GLY 37 3.891 -1.075 3.957
308 2HA GLY 37 HA1 GLY 37 3.821 0.324 5.022
309 H GLY 38 HN GLY 38 5.932 -1.631 4.895
310 1HA GLY 38 HA2 GLY 38 5.795 -2.633 7.708
311 2HA GLY 38 HA1 GLY 38 6.466 -3.641 6.422
312 H LYS 39 HN LYS 39 6.909 -0.184 6.432
313 HA LYS 39 HA LYS 39 8.803 1.135 6.835
314 1HB LYS 39 HB2 LYS 39 9.126 -1.081 8.630
315 2HB LYS 39 HB1 LYS 39 10.687 -0.726 7.889
316 1HG LYS 39 HG2 LYS 39 10.439 0.628 9.898
317 2HG LYS 39 HG1 LYS 39 10.372 1.681 8.484
318 1HD LYS 39 HD2 LYS 39 7.926 1.711 8.587
319 2HD LYS 39 HD1 LYS 39 7.951 0.589 9.949
320 1HE LYS 39 HE2 LYS 39 7.702 2.730 10.943
321 2HE LYS 39 HE1 LYS 39 9.410 2.338 11.144
322 1HZ LYS 39 HZ2 LYS 39 9.299 3.529 8.703
323 2HZ LYS 39 HZ1 LYS 39 8.187 4.430 9.617
324 3HZ LYS 39 HZ3 LYS 39 9.790 4.276 10.147
325 H ILE 40 HN ILE 40 10.997 1.369 5.912
326 HA ILE 40 HA ILE 40 11.911 -0.737 4.072
327 HB ILE 40 HB ILE 40 10.119 0.462 2.828
328 1HG1 ILE 40 HG12 ILE 40 12.981 0.851 1.911
329 2HG1 ILE 40 HG11 ILE 40 11.867 -0.438 1.454
330 1HG2 ILE 40 HG22 ILE 40 11.284 2.699 4.097
331 2HG2 ILE 40 HG21 ILE 40 11.570 2.906 2.368
332 3HG2 ILE 40 HG23 ILE 40 9.929 2.692 2.969
333 1HD1 ILE 40 HD13 ILE 40 10.392 1.249 0.369
334 2HD1 ILE 40 HD12 ILE 40 11.563 2.504 0.772
335 3HD1 ILE 40 HD11 ILE 40 12.001 1.219 -0.354
336 H GLU 41 HN GLU 41 13.405 -0.002 6.114
337 HA GLU 41 HA GLU 41 15.055 2.344 5.486
338 1HB GLU 41 HB2 GLU 41 15.286 0.217 7.636
339 2HB GLU 41 HB1 GLU 41 16.326 1.636 7.520
340 1HG GLU 41 HG2 GLU 41 13.567 2.447 7.335
341 2HG GLU 41 HG1 GLU 41 13.800 1.463 8.780
342 H MET 42 HN MET 42 17.292 0.285 6.666
343 HA MET 42 HA MET 42 18.918 0.140 4.434
344 1HB MET 42 HB2 MET 42 18.659 -2.104 6.454
345 2HB MET 42 HB1 MET 42 20.086 -1.684 5.504
346 1HG MET 42 HG2 MET 42 19.654 0.696 6.682
347 2HG MET 42 HG1 MET 42 18.957 -0.353 7.917
348 1HE MET 42 HE3 MET 42 21.638 1.468 6.776
349 2HE MET 42 HE2 MET 42 23.168 0.710 7.212
350 3HE MET 42 HE1 MET 42 22.347 0.232 5.727
351 H GLY 43 HN GLY 43 19.434 -1.760 3.021
352 1HA GLY 43 HA2 GLY 43 18.128 -4.055 2.487
353 2HA GLY 43 HA1 GLY 43 16.927 -2.883 1.938
354 H GLU 44 HN GLU 44 17.034 -2.872 -0.265
355 HA GLU 44 HA GLU 44 19.727 -2.449 -1.489
356 1HB GLU 44 HB2 GLU 44 17.633 -4.483 -2.164
357 2HB GLU 44 HB1 GLU 44 18.598 -3.798 -3.472
358 1HG GLU 44 HG2 GLU 44 20.257 -5.218 -2.934
359 2HG GLU 44 HG1 GLU 44 20.408 -4.392 -1.381
360 H THR 45 HN THR 45 16.299 -2.564 -2.532
361 HA THR 45 HA THR 45 16.495 0.269 -3.351
362 HB THR 45 HB THR 45 15.185 -1.191 -5.455
363 HG1 THR 45 HG1 THR 45 16.589 -2.874 -4.718
364 1HG2 THR 45 HG22 THR 45 16.850 1.030 -5.091
365 2HG2 THR 45 HG21 THR 45 17.792 -0.071 -6.097
366 3HG2 THR 45 HG23 THR 45 16.192 0.454 -6.622
367 HA PRO 46 HA PRO 46 12.244 0.481 -2.395
368 1HB PRO 46 HB2 PRO 46 11.120 1.213 -4.936
369 2HB PRO 46 HB1 PRO 46 11.569 2.286 -3.603
370 1HG PRO 46 HG2 PRO 46 12.894 2.028 -6.131
371 2HG PRO 46 HG1 PRO 46 13.402 3.012 -4.755
372 1HD PRO 46 HD2 PRO 46 14.528 0.513 -5.710
373 2HD PRO 46 HD1 PRO 46 15.167 1.613 -4.471
374 H GLU 47 HN GLU 47 13.200 -1.665 -4.873
375 HA GLU 47 HA GLU 47 10.521 -2.960 -4.986
376 1HB GLU 47 HB2 GLU 47 12.757 -2.693 -6.813
377 2HB GLU 47 HB1 GLU 47 12.343 -4.390 -6.583
378 1HG GLU 47 HG2 GLU 47 9.911 -3.706 -6.971
379 2HG GLU 47 HG1 GLU 47 10.539 -2.154 -7.524
380 H GLN 48 HN GLN 48 13.941 -3.926 -4.576
381 HA GLN 48 HA GLN 48 13.468 -6.516 -3.602
382 1HB GLN 48 HB2 GLN 48 15.674 -4.899 -4.111
383 2HB GLN 48 HB1 GLN 48 15.748 -5.184 -2.369
384 1HG GLN 48 HG2 GLN 48 15.666 -7.533 -2.663
385 2HG GLN 48 HG1 GLN 48 15.276 -7.365 -4.374
386 1HE2 GLN 48 HE22 GLN 48 18.911 -8.074 -4.279
387 2HE2 GLN 48 HE21 GLN 48 17.471 -8.919 -3.969
388 H ALA 49 HN ALA 49 13.738 -3.450 -2.041
389 HA ALA 49 HA ALA 49 13.796 -4.078 0.628
390 1HB ALA 49 HB1 ALA 49 12.606 -1.886 -0.935
391 2HB ALA 49 HB3 ALA 49 11.879 -2.115 0.655
392 3HB ALA 49 HB2 ALA 49 13.611 -1.813 0.513
393 H VAL 50 HN VAL 50 10.735 -3.698 -1.185
394 HA VAL 50 HA VAL 50 9.210 -5.079 0.887
395 HB VAL 50 HB VAL 50 8.397 -3.188 -0.583
396 1HG1 VAL 50 HG13 VAL 50 9.336 -4.107 -2.696
397 2HG1 VAL 50 HG12 VAL 50 8.197 -5.448 -2.593
398 3HG1 VAL 50 HG11 VAL 50 7.603 -3.805 -2.830
399 1HG2 VAL 50 HG21 VAL 50 6.912 -4.711 0.744
400 2HG2 VAL 50 HG23 VAL 50 6.144 -4.059 -0.704
401 3HG2 VAL 50 HG22 VAL 50 6.746 -5.717 -0.695
402 H VAL 51 HN VAL 51 11.047 -6.097 -1.798
403 HA VAL 51 HA VAL 51 9.431 -8.324 -2.663
404 HB VAL 51 HB VAL 51 11.691 -7.155 -3.616
405 1HG1 VAL 51 HG11 VAL 51 12.595 -9.630 -2.131
406 2HG1 VAL 51 HG13 VAL 51 13.492 -8.931 -3.475
407 3HG1 VAL 51 HG12 VAL 51 13.252 -8.004 -2.003
408 1HG2 VAL 51 HG23 VAL 51 10.029 -8.844 -4.603
409 2HG2 VAL 51 HG22 VAL 51 11.666 -8.809 -5.260
410 3HG2 VAL 51 HG21 VAL 51 11.201 -10.067 -4.112
411 H ARG 52 HN ARG 52 12.118 -7.933 -0.546
412 HA ARG 52 HA ARG 52 12.272 -10.492 0.630
413 1HB ARG 52 HB2 ARG 52 13.401 -7.875 0.927
414 2HB ARG 52 HB1 ARG 52 12.908 -8.446 2.513
415 1HG ARG 52 HG2 ARG 52 14.494 -10.132 0.579
416 2HG ARG 52 HG1 ARG 52 15.266 -9.097 1.782
417 1HD ARG 52 HD2 ARG 52 14.374 -10.333 3.591
418 2HD ARG 52 HD1 ARG 52 13.165 -11.115 2.573
419 HE ARG 52 HE ARG 52 15.573 -11.953 1.495
420 1HH1 ARG 52 HH21 ARG 52 13.417 -13.252 3.504
421 2HH1 ARG 52 HH22 ARG 52 14.524 -14.103 4.531
422 1HH2 ARG 52 HH11 ARG 52 17.328 -12.483 3.297
423 2HH2 ARG 52 HH12 ARG 52 16.737 -13.668 4.412
424 H GLU 53 HN GLU 53 10.293 -7.608 1.323
425 HA GLU 53 HA GLU 53 9.170 -8.697 3.779
426 1HB GLU 53 HB2 GLU 53 8.270 -6.465 1.930
427 2HB GLU 53 HB1 GLU 53 7.459 -6.866 3.445
428 1HG GLU 53 HG2 GLU 53 9.883 -6.667 4.457
429 2HG GLU 53 HG1 GLU 53 10.188 -5.698 3.015
430 H LEU 54 HN LEU 54 8.586 -9.094 0.410
431 HA LEU 54 HA LEU 54 5.848 -9.852 0.419
432 1HB LEU 54 HB2 LEU 54 7.902 -9.733 -1.475
433 2HB LEU 54 HB1 LEU 54 7.465 -11.440 -1.414
434 HG LEU 54 HG LEU 54 5.611 -9.104 -1.932
435 1HD1 LEU 54 HD11 LEU 54 6.393 -11.514 -3.591
436 2HD1 LEU 54 HD13 LEU 54 5.225 -10.281 -4.067
437 3HD1 LEU 54 HD12 LEU 54 6.926 -9.856 -3.867
438 1HD2 LEU 54 HD22 LEU 54 4.998 -11.477 -0.581
439 2HD2 LEU 54 HD21 LEU 54 3.843 -10.387 -1.348
440 3HD2 LEU 54 HD23 LEU 54 4.481 -11.768 -2.239
441 H GLN 55 HN GLN 55 8.764 -11.931 0.531
442 HA GLN 55 HA GLN 55 7.158 -14.247 1.311
443 1HB GLN 55 HB2 GLN 55 10.151 -14.152 1.538
444 2HB GLN 55 HB1 GLN 55 9.113 -15.499 1.073
445 1HG GLN 55 HG2 GLN 55 8.490 -14.035 -0.976
446 2HG GLN 55 HG1 GLN 55 9.937 -13.112 -0.568
447 1HE2 GLN 55 HE22 GLN 55 11.814 -15.435 -2.446
448 2HE2 GLN 55 HE21 GLN 55 11.381 -13.811 -2.205
449 H GLU 56 HN GLU 56 8.908 -11.722 2.926
450 HA GLU 56 HA GLU 56 9.190 -13.195 5.439
451 1HB GLU 56 HB2 GLU 56 9.630 -10.326 4.614
452 2HB GLU 56 HB1 GLU 56 9.732 -10.825 6.303
453 1HG GLU 56 HG2 GLU 56 11.210 -12.733 4.834
454 2HG GLU 56 HG1 GLU 56 11.684 -11.155 4.204
455 H GLU 57 HN GLU 57 6.428 -12.533 4.090
456 HA GLU 57 HA GLU 57 5.177 -11.680 6.652
457 1HB GLU 57 HB2 GLU 57 5.136 -10.258 4.098
458 2HB GLU 57 HB1 GLU 57 3.517 -10.614 4.699
459 1HG GLU 57 HG2 GLU 57 5.612 -9.468 6.533
460 2HG GLU 57 HG1 GLU 57 4.658 -8.417 5.485
461 H VAL 58 HN VAL 58 4.206 -12.672 3.339
462 HA VAL 58 HA VAL 58 2.534 -14.796 4.624
463 HB VAL 58 HB VAL 58 0.752 -14.352 3.074
464 1HG1 VAL 58 HG13 VAL 58 1.914 -12.082 4.568
465 2HG1 VAL 58 HG12 VAL 58 0.718 -11.655 3.344
466 3HG1 VAL 58 HG11 VAL 58 0.291 -12.769 4.643
467 1HG2 VAL 58 HG21 VAL 58 2.881 -12.778 1.680
468 2HG2 VAL 58 HG23 VAL 58 1.736 -13.937 1.018
469 3HG2 VAL 58 HG22 VAL 58 1.196 -12.318 1.456
470 H GLY 59 HN GLY 59 4.429 -13.773 1.823
471 1HA GLY 59 HA2 GLY 59 5.822 -15.228 0.539
472 2HA GLY 59 HA1 GLY 59 4.943 -16.598 1.205
473 H ILE 60 HN ILE 60 3.443 -13.744 -0.277
474 HA ILE 60 HA ILE 60 2.118 -15.571 -2.194
475 HB ILE 60 HB ILE 60 0.759 -13.536 -2.776
476 1HG1 ILE 60 HG12 ILE 60 2.046 -12.246 -0.380
477 2HG1 ILE 60 HG11 ILE 60 2.653 -11.976 -2.006
478 1HG2 ILE 60 HG23 ILE 60 0.782 -15.045 -0.323
479 2HG2 ILE 60 HG22 ILE 60 0.163 -13.420 -0.030
480 3HG2 ILE 60 HG21 ILE 60 -0.595 -14.446 -1.246
481 1HD1 ILE 60 HD11 ILE 60 -0.279 -11.693 -1.585
482 2HD1 ILE 60 HD13 ILE 60 0.760 -10.423 -0.940
483 3HD1 ILE 60 HD12 ILE 60 0.794 -10.800 -2.663
484 H THR 61 HN THR 61 1.663 -13.875 -4.304
485 HA THR 61 HA THR 61 2.655 -12.673 -6.076
486 HB THR 61 HB THR 61 4.577 -12.261 -4.245
487 HG1 THR 61 HG1 THR 61 4.020 -11.094 -6.218
488 1HG2 THR 61 HG22 THR 61 5.468 -14.634 -5.050
489 2HG2 THR 61 HG21 THR 61 6.177 -13.671 -6.345
490 3HG2 THR 61 HG23 THR 61 6.590 -13.330 -4.665
491 HA PRO 62 HA PRO 62 4.256 -17.052 -7.269
492 1HB PRO 62 HB2 PRO 62 1.809 -18.462 -7.411
493 2HB PRO 62 HB1 PRO 62 3.155 -18.788 -6.309
494 1HG PRO 62 HG2 PRO 62 0.590 -17.551 -5.724
495 2HG PRO 62 HG1 PRO 62 1.829 -18.091 -4.591
496 1HD PRO 62 HD2 PRO 62 1.183 -15.399 -5.263
497 2HD PRO 62 HD1 PRO 62 2.550 -15.969 -4.288
498 H GLN 63 HN GLN 63 1.484 -15.185 -7.921
499 HA GLN 63 HA GLN 63 1.306 -16.103 -10.709
500 1HB GLN 63 HB2 GLN 63 -0.114 -13.742 -9.454
501 2HB GLN 63 HB1 GLN 63 -0.605 -14.677 -10.871
502 1HG GLN 63 HG2 GLN 63 -0.277 -16.009 -8.186
503 2HG GLN 63 HG1 GLN 63 -1.779 -15.191 -8.606
504 1HE2 GLN 63 HE22 GLN 63 -2.830 -17.699 -10.875
505 2HE2 GLN 63 HE21 GLN 63 -3.145 -16.164 -10.225
506 H HIS 64 HN HIS 64 1.587 -12.855 -9.266
507 HA HIS 64 HA HIS 64 4.063 -12.067 -10.304
508 1HB HIS 64 HB2 HIS 64 2.573 -12.681 -12.461
509 2HB HIS 64 HB1 HIS 64 2.053 -11.025 -12.221
510 HD1 HIS 64 HD1 HIS 64 3.547 -11.221 -14.706
511 HD2 HIS 64 HD2 HIS 64 5.578 -10.908 -11.080
512 HE1 HIS 64 HE1 HIS 64 5.876 -10.395 -15.259
513 H PHE 65 HN PHE 65 4.367 -9.708 -10.240
514 HA PHE 65 HA PHE 65 2.036 -8.108 -9.352
515 1HB PHE 65 HB2 PHE 65 3.330 -7.076 -7.527
516 2HB PHE 65 HB1 PHE 65 3.092 -8.788 -7.256
517 HD1 PHE 65 HD1 PHE 65 4.990 -10.406 -7.885
518 HD2 PHE 65 HD2 PHE 65 5.481 -6.143 -7.701
519 HE1 PHE 65 HE1 PHE 65 7.451 -10.694 -7.766
520 HE2 PHE 65 HE2 PHE 65 7.941 -6.430 -7.582
521 HZ PHE 65 HZ PHE 65 8.926 -8.704 -7.614
522 H SER 66 HN SER 66 2.745 -5.748 -9.198
523 HA SER 66 HA SER 66 5.084 -4.966 -10.758
524 1HB SER 66 HB2 SER 66 2.335 -4.721 -12.005
525 2HB SER 66 HB1 SER 66 3.768 -3.880 -12.593
526 HG SER 66 HG SER 66 4.697 -5.821 -13.080
527 H LEU 67 HN LEU 67 5.676 -2.948 -10.018
528 HA LEU 67 HA LEU 67 3.782 -1.517 -8.305
529 1HB LEU 67 HB2 LEU 67 6.094 -1.484 -7.597
530 2HB LEU 67 HB1 LEU 67 6.615 -0.867 -9.166
531 HG LEU 67 HG LEU 67 4.677 0.965 -8.357
532 1HD1 LEU 67 HD13 LEU 67 6.086 -0.213 -6.007
533 2HD1 LEU 67 HD12 LEU 67 5.904 1.541 -6.049
534 3HD1 LEU 67 HD11 LEU 67 4.480 0.509 -6.112
535 1HD2 LEU 67 HD23 LEU 67 7.579 0.829 -8.733
536 2HD2 LEU 67 HD22 LEU 67 6.444 2.089 -9.218
537 3HD2 LEU 67 HD21 LEU 67 7.097 2.073 -7.580
538 H PHE 68 HN PHE 68 2.402 0.009 -9.018
539 HA PHE 68 HA PHE 68 2.346 0.780 -11.790
540 1HB PHE 68 HB2 PHE 68 0.369 1.921 -11.189
541 2HB PHE 68 HB1 PHE 68 0.396 0.506 -10.172
542 HD1 PHE 68 HD1 PHE 68 0.988 0.683 -7.786
543 HD2 PHE 68 HD2 PHE 68 0.564 4.143 -10.294
544 HE1 PHE 68 HE1 PHE 68 0.860 2.125 -5.774
545 HE2 PHE 68 HE2 PHE 68 0.435 5.586 -8.281
546 HZ PHE 68 HZ PHE 68 0.587 4.573 -6.027
547 H GLU 69 HN GLU 69 2.917 2.568 -8.781
548 HA GLU 69 HA GLU 69 5.083 4.120 -9.757
549 1HB GLU 69 HB2 GLU 69 2.967 4.908 -11.165
550 2HB GLU 69 HB1 GLU 69 2.654 5.870 -9.722
551 1HG GLU 69 HG2 GLU 69 5.271 6.406 -10.006
552 2HG GLU 69 HG1 GLU 69 4.878 6.082 -11.695
553 H LYS 70 HN LYS 70 5.974 5.260 -8.040
554 HA LYS 70 HA LYS 70 4.360 5.323 -5.542
555 1HB LYS 70 HB2 LYS 70 6.833 5.828 -4.675
556 2HB LYS 70 HB1 LYS 70 6.262 4.183 -4.913
557 1HG LYS 70 HG2 LYS 70 7.452 3.936 -6.910
558 2HG LYS 70 HG1 LYS 70 7.557 5.676 -7.179
559 1HD LYS 70 HD2 LYS 70 9.370 5.923 -5.796
560 2HD LYS 70 HD1 LYS 70 8.848 4.636 -4.709
561 1HE LYS 70 HE2 LYS 70 9.947 3.022 -5.885
562 2HE LYS 70 HE1 LYS 70 9.563 3.755 -7.442
563 1HZ LYS 70 HZ3 LYS 70 11.538 4.912 -5.561
564 2HZ LYS 70 HZ2 LYS 70 11.965 3.810 -6.781
565 3HZ LYS 70 HZ1 LYS 70 11.294 5.316 -7.190
566 H LEU 71 HN LEU 71 4.850 7.251 -4.119
567 HA LEU 71 HA LEU 71 5.478 9.671 -5.757
568 1HB LEU 71 HB2 LEU 71 3.728 10.780 -4.156
569 2HB LEU 71 HB1 LEU 71 3.154 9.858 -5.546
570 HG LEU 71 HG LEU 71 2.843 7.876 -4.131
571 1HD1 LEU 71 HD11 LEU 71 4.031 9.691 -2.032
572 2HD1 LEU 71 HD13 LEU 71 3.022 8.314 -1.590
573 3HD1 LEU 71 HD12 LEU 71 4.527 8.059 -2.473
574 1HD2 LEU 71 HD23 LEU 71 1.367 10.281 -4.001
575 2HD2 LEU 71 HD22 LEU 71 0.791 8.654 -3.638
576 3HD2 LEU 71 HD21 LEU 71 1.445 9.665 -2.350
577 H GLU 72 HN GLU 72 5.398 11.580 -3.825
578 HA GLU 72 HA GLU 72 6.984 10.608 -1.524
579 1HB GLU 72 HB2 GLU 72 8.661 11.156 -3.244
580 2HB GLU 72 HB1 GLU 72 7.961 12.765 -3.418
581 1HG GLU 72 HG2 GLU 72 8.356 12.933 -0.836
582 2HG GLU 72 HG1 GLU 72 9.495 11.613 -1.103
583 H TYR 73 HN TYR 73 6.840 11.997 0.262
584 HA TYR 73 HA TYR 73 5.330 14.525 -0.064
585 1HB TYR 73 HB2 TYR 73 4.190 12.084 0.873
586 2HB TYR 73 HB1 TYR 73 4.334 13.175 2.247
587 HD1 TYR 73 HD1 TYR 73 3.319 15.476 2.127
588 HD2 TYR 73 HD2 TYR 73 2.634 12.497 -0.893
589 HE1 TYR 73 HE1 TYR 73 1.373 16.768 1.290
590 HE2 TYR 73 HE2 TYR 73 0.688 13.788 -1.727
591 HH TYR 73 HH TYR 73 0.151 16.755 -1.338
592 H GLU 74 HN GLU 74 7.525 15.321 0.479
593 HA GLU 74 HA GLU 74 8.590 14.718 3.149
594 1HB GLU 74 HB2 GLU 74 10.238 15.179 1.481
595 2HB GLU 74 HB1 GLU 74 9.390 16.626 0.937
596 1HG GLU 74 HG2 GLU 74 9.966 16.818 3.765
597 2HG GLU 74 HG1 GLU 74 11.446 16.485 2.864
598 H PHE 75 HN PHE 75 7.646 15.583 4.889
599 HA PHE 75 HA PHE 75 6.000 17.995 4.718
600 1HB PHE 75 HB2 PHE 75 6.448 15.827 6.596
601 2HB PHE 75 HB1 PHE 75 6.531 17.380 7.423
602 HD1 PHE 75 HD1 PHE 75 4.544 16.823 4.352
603 HD2 PHE 75 HD2 PHE 75 4.441 17.152 8.635
604 HE1 PHE 75 HE1 PHE 75 2.070 16.993 4.281
605 HE2 PHE 75 HE2 PHE 75 1.969 17.323 8.563
606 HZ PHE 75 HZ PHE 75 0.782 17.242 6.387
607 HA PRO 76 HA PRO 76 8.892 21.027 6.021
608 1HB PRO 76 HB2 PRO 76 7.782 21.766 8.557
609 2HB PRO 76 HB1 PRO 76 7.546 22.576 7.002
610 1HG PRO 76 HG2 PRO 76 5.639 20.974 8.476
611 2HG PRO 76 HG1 PRO 76 5.392 21.835 6.952
612 1HD PRO 76 HD2 PRO 76 5.635 18.997 7.343
613 2HD PRO 76 HD1 PRO 76 5.426 19.865 5.810
614 H ASP 77 HN ASP 77 8.333 18.282 7.918
615 HA ASP 77 HA ASP 77 10.590 18.853 9.715
616 1HB ASP 77 HB2 ASP 77 8.244 17.911 10.444
617 2HB ASP 77 HB1 ASP 77 8.946 16.377 9.929
618 H ARG 78 HN ARG 78 9.444 15.915 8.071
619 HA ARG 78 HA ARG 78 12.266 15.387 7.311
620 1HB ARG 78 HB2 ARG 78 11.251 12.911 7.592
621 2HB ARG 78 HB1 ARG 78 12.045 13.771 8.902
622 1HG ARG 78 HG2 ARG 78 9.830 14.607 9.655
623 2HG ARG 78 HG1 ARG 78 9.064 13.659 8.381
624 1HD ARG 78 HD2 ARG 78 9.106 11.829 9.688
625 2HD ARG 78 HD1 ARG 78 10.859 11.957 9.835
626 HE ARG 78 HE ARG 78 9.915 13.846 11.622
627 1HH1 ARG 78 HH21 ARG 78 9.582 10.456 11.069
628 2HH1 ARG 78 HH22 ARG 78 9.147 10.101 12.708
629 1HH2 ARG 78 HH11 ARG 78 9.264 13.407 13.742
630 2HH2 ARG 78 HH12 ARG 78 8.967 11.768 14.219
631 H HIS 79 HN HIS 79 12.008 13.188 5.805
632 HA HIS 79 HA HIS 79 10.257 14.078 3.561
633 1HB HIS 79 HB2 HIS 79 12.391 11.999 3.241
634 2HB HIS 79 HB1 HIS 79 11.817 13.196 2.080
635 HD1 HIS 79 HD1 HIS 79 14.863 12.787 2.916
636 HD2 HIS 79 HD2 HIS 79 12.317 15.746 4.379
637 HE1 HIS 79 HE1 HIS 79 16.347 14.661 3.751
638 H ILE 80 HN ILE 80 8.332 13.021 4.378
639 HA ILE 80 HA ILE 80 8.414 10.145 4.941
640 HB ILE 80 HB ILE 80 6.040 12.003 4.594
641 1HG1 ILE 80 HG12 ILE 80 7.612 12.621 6.447
642 2HG1 ILE 80 HG11 ILE 80 6.025 12.120 7.029
643 1HG2 ILE 80 HG23 ILE 80 6.359 9.119 5.206
644 2HG2 ILE 80 HG22 ILE 80 5.234 9.997 6.242
645 3HG2 ILE 80 HG21 ILE 80 4.990 9.975 4.496
646 1HD1 ILE 80 HD12 ILE 80 6.920 9.830 7.415
647 2HD1 ILE 80 HD11 ILE 80 8.514 10.392 6.913
648 3HD1 ILE 80 HD13 ILE 80 7.767 11.047 8.371
649 H THR 81 HN THR 81 8.460 8.673 3.314
650 HA THR 81 HA THR 81 7.106 9.399 0.745
651 HB THR 81 HB THR 81 8.965 7.292 0.323
652 HG1 THR 81 HG1 THR 81 10.215 9.533 1.485
653 1HG2 THR 81 HG22 THR 81 8.475 10.074 -0.546
654 2HG2 THR 81 HG21 THR 81 10.128 9.504 -0.763
655 3HG2 THR 81 HG23 THR 81 8.790 8.632 -1.510
656 H LEU 82 HN LEU 82 5.832 7.779 -0.230
657 HA LEU 82 HA LEU 82 5.464 5.267 1.347
658 1HB LEU 82 HB2 LEU 82 3.646 7.355 1.304
659 2HB LEU 82 HB1 LEU 82 3.028 6.277 0.061
660 HG LEU 82 HG LEU 82 2.029 5.572 2.119
661 1HD1 LEU 82 HD11 LEU 82 3.821 3.918 0.658
662 2HD1 LEU 82 HD13 LEU 82 3.999 3.495 2.360
663 3HD1 LEU 82 HD12 LEU 82 2.412 3.419 1.594
664 1HD2 LEU 82 HD21 LEU 82 4.504 6.506 3.208
665 2HD2 LEU 82 HD23 LEU 82 3.047 6.020 4.076
666 3HD2 LEU 82 HD22 LEU 82 4.289 4.826 3.700
667 H TRP 83 HN TRP 83 5.755 3.523 0.041
668 HA TRP 83 HA TRP 83 5.387 3.875 -2.899
669 1HB TRP 83 HB2 TRP 83 7.589 3.395 -2.876
670 2HB TRP 83 HB1 TRP 83 7.557 2.915 -1.203
671 HD1 TRP 83 HD1 TRP 83 6.723 0.357 -0.729
672 HE1 TRP 83 HE1 TRP 83 7.177 -1.780 -2.109
673 HE3 TRP 83 HE3 TRP 83 8.016 2.457 -5.192
674 HZ2 TRP 83 HZ2 TRP 83 7.991 -2.493 -4.758
675 HZ3 TRP 83 HZ3 TRP 83 8.640 1.032 -7.121
676 HH2 TRP 83 HH2 TRP 83 8.624 -1.437 -6.912
677 H PHE 84 HN PHE 84 3.737 2.573 -3.760
678 HA PHE 84 HA PHE 84 3.185 0.039 -2.300
679 1HB PHE 84 HB2 PHE 84 0.776 0.735 -3.475
680 2HB PHE 84 HB1 PHE 84 1.147 0.837 -1.762
681 HD1 PHE 84 HD2 PHE 84 2.740 3.100 -1.303
682 HD2 PHE 84 HD1 PHE 84 -0.252 2.594 -4.343
683 HE1 PHE 84 HE2 PHE 84 2.437 5.555 -1.430
684 HE2 PHE 84 HE1 PHE 84 -0.558 5.049 -4.452
685 HZ PHE 84 HZ PHE 84 0.789 6.532 -2.993
686 H TRP 85 HN TRP 85 4.026 -1.400 -3.689
687 HA TRP 85 HA TRP 85 3.678 -1.073 -6.577
688 1HB TRP 85 HB2 TRP 85 4.938 -3.180 -6.775
689 2HB TRP 85 HB1 TRP 85 5.774 -2.044 -5.724
690 HD1 TRP 85 HD1 TRP 85 3.276 -3.009 -3.464
691 HE1 TRP 85 HE1 TRP 85 3.913 -5.054 -2.037
692 HE3 TRP 85 HE3 TRP 85 7.137 -4.851 -6.247
693 HZ2 TRP 85 HZ2 TRP 85 5.807 -7.197 -2.072
694 HZ3 TRP 85 HZ3 TRP 85 8.336 -6.896 -5.530
695 HH2 TRP 85 HH2 TRP 85 7.677 -8.071 -3.448
696 H LEU 86 HN LEU 86 1.515 -1.302 -7.113
697 HA LEU 86 HA LEU 86 -0.245 -3.156 -5.864
698 1HB LEU 86 HB2 LEU 86 -0.593 -1.130 -7.655
699 2HB LEU 86 HB1 LEU 86 -0.795 -2.530 -8.703
700 HG LEU 86 HG LEU 86 -2.960 -2.373 -7.966
701 1HD1 LEU 86 HD13 LEU 86 -1.907 -4.495 -6.948
702 2HD1 LEU 86 HD12 LEU 86 -1.943 -3.630 -5.417
703 3HD1 LEU 86 HD11 LEU 86 -3.445 -3.961 -6.271
704 1HD2 LEU 86 HD22 LEU 86 -1.680 -0.773 -5.865
705 2HD2 LEU 86 HD21 LEU 86 -3.186 -0.490 -6.725
706 3HD2 LEU 86 HD23 LEU 86 -3.152 -1.596 -5.352
707 H VAL 87 HN VAL 87 -0.146 -5.348 -5.978
708 HA VAL 87 HA VAL 87 1.443 -6.599 -8.096
709 HB VAL 87 HB VAL 87 0.943 -8.660 -6.940
710 1HG1 VAL 87 HG13 VAL 87 2.340 -6.544 -5.883
711 2HG1 VAL 87 HG12 VAL 87 1.277 -7.007 -4.554
712 3HG1 VAL 87 HG11 VAL 87 2.374 -8.193 -5.259
713 1HG2 VAL 87 HG23 VAL 87 -1.403 -7.255 -6.202
714 2HG2 VAL 87 HG22 VAL 87 -1.007 -8.944 -5.885
715 3HG2 VAL 87 HG21 VAL 87 -0.561 -7.700 -4.716
716 H GLU 88 HN GLU 88 0.037 -8.904 -8.691
717 HA GLU 88 HA GLU 88 -2.443 -7.848 -9.992
718 1HB GLU 88 HB2 GLU 88 -0.094 -9.260 -11.124
719 2HB GLU 88 HB1 GLU 88 -1.668 -9.813 -11.694
720 1HG GLU 88 HG2 GLU 88 -2.270 -7.548 -12.362
721 2HG GLU 88 HG1 GLU 88 -0.767 -6.919 -11.686
722 H ARG 89 HN ARG 89 -0.781 -10.823 -8.903
723 HA ARG 89 HA ARG 89 -3.272 -11.850 -7.813
724 1HB ARG 89 HB2 ARG 89 -2.080 -12.962 -10.340
725 2HB ARG 89 HB1 ARG 89 -2.992 -14.002 -9.245
726 1HG ARG 89 HG2 ARG 89 -4.815 -13.278 -10.356
727 2HG ARG 89 HG1 ARG 89 -4.617 -11.794 -9.430
728 1HD ARG 89 HD2 ARG 89 -2.998 -11.068 -11.313
729 2HD ARG 89 HD1 ARG 89 -3.713 -12.381 -12.247
730 HE ARG 89 HE ARG 89 -4.903 -9.938 -12.185
731 1HH1 ARG 89 HH21 ARG 89 -6.453 -10.055 -9.887
732 2HH1 ARG 89 HH22 ARG 89 -7.822 -11.045 -10.267
733 1HH2 ARG 89 HH11 ARG 89 -6.347 -12.475 -13.058
734 2HH2 ARG 89 HH12 ARG 89 -7.761 -12.418 -12.059
735 H TRP 90 HN TRP 90 -2.863 -14.160 -6.910
736 HA TRP 90 HA TRP 90 -0.111 -14.976 -6.512
737 1HB TRP 90 HB2 TRP 90 0.025 -14.509 -4.117
738 2HB TRP 90 HB1 TRP 90 -0.144 -13.007 -5.019
739 HD1 TRP 90 HD1 TRP 90 -1.806 -15.173 -2.463
740 HE1 TRP 90 HE1 TRP 90 -4.013 -14.096 -1.683
741 HE3 TRP 90 HE3 TRP 90 -2.206 -11.411 -5.896
742 HZ2 TRP 90 HZ2 TRP 90 -5.715 -11.918 -2.409
743 HZ3 TRP 90 HZ3 TRP 90 -4.128 -9.857 -5.818
744 HH2 TRP 90 HH2 TRP 90 -5.882 -10.102 -4.089
745 H GLU 91 HN GLU 91 -0.106 -16.405 -4.359
746 HA GLU 91 HA GLU 91 -2.552 -18.122 -4.481
747 1HB GLU 91 HB2 GLU 91 -0.461 -19.067 -5.505
748 2HB GLU 91 HB1 GLU 91 0.288 -18.994 -3.912
749 1HG GLU 91 HG2 GLU 91 -0.815 -20.815 -3.191
750 2HG GLU 91 HG1 GLU 91 -2.348 -20.231 -3.839
751 H GLY 92 HN GLY 92 -0.003 -16.772 -2.411
752 1HA GLY 92 HA2 GLY 92 -1.039 -18.047 0.003
753 2HA GLY 92 HA1 GLY 92 0.238 -16.837 -0.058
754 H GLU 93 HN GLU 93 -0.768 -15.778 1.769
755 HA GLU 93 HA GLU 93 -3.362 -14.437 1.179
756 1HB GLU 93 HB2 GLU 93 -2.266 -15.652 3.522
757 2HB GLU 93 HB1 GLU 93 -2.467 -13.930 3.848
758 1HG GLU 93 HG2 GLU 93 -4.798 -14.548 2.512
759 2HG GLU 93 HG1 GLU 93 -4.506 -16.008 3.458
760 HA PRO 94 HA PRO 94 -1.040 -10.757 0.267
761 1HB PRO 94 HB2 PRO 94 -3.339 -9.134 0.860
762 2HB PRO 94 HB1 PRO 94 -2.717 -9.597 -0.727
763 1HG PRO 94 HG2 PRO 94 -5.084 -10.583 0.602
764 2HG PRO 94 HG1 PRO 94 -4.486 -10.990 -1.011
765 1HD PRO 94 HD2 PRO 94 -4.467 -12.662 1.309
766 2HD PRO 94 HD1 PRO 94 -3.764 -13.013 -0.275
767 H TRP 95 HN TRP 95 0.225 -9.445 1.616
768 HA TRP 95 HA TRP 95 -0.754 -9.062 4.406
769 1HB TRP 95 HB2 TRP 95 1.720 -8.539 4.861
770 2HB TRP 95 HB1 TRP 95 1.320 -10.219 4.546
771 HD1 TRP 95 HD1 TRP 95 2.761 -11.355 2.839
772 HE1 TRP 95 HE1 TRP 95 4.292 -10.644 0.910
773 HE3 TRP 95 HE3 TRP 95 2.001 -6.305 2.914
774 HZ2 TRP 95 HZ2 TRP 95 5.110 -8.248 -0.420
775 HZ3 TRP 95 HZ3 TRP 95 3.179 -4.837 1.301
776 HH2 TRP 95 HH2 TRP 95 4.729 -5.806 -0.362
777 H GLY 96 HN GLY 96 0.751 -6.986 5.203
778 1HA GLY 96 HA2 GLY 96 1.451 -4.835 3.858
779 2HA GLY 96 HA1 GLY 96 -0.263 -4.782 3.504
780 H LYS 97 HN LYS 97 -1.234 -5.713 5.927
781 HA LYS 97 HA LYS 97 -1.264 -3.344 7.523
782 1HB LYS 97 HB2 LYS 97 -2.365 -4.988 9.186
783 2HB LYS 97 HB1 LYS 97 -3.193 -4.694 7.666
784 1HG LYS 97 HG2 LYS 97 -2.641 -6.781 6.814
785 2HG LYS 97 HG1 LYS 97 -1.198 -6.923 7.818
786 1HD LYS 97 HD2 LYS 97 -3.788 -6.775 9.264
787 2HD LYS 97 HD1 LYS 97 -3.486 -8.256 8.354
788 1HE LYS 97 HE2 LYS 97 -1.403 -7.097 10.204
789 2HE LYS 97 HE1 LYS 97 -2.658 -8.183 10.800
790 1HZ LYS 97 HZ2 LYS 97 -0.781 -8.794 8.581
791 2HZ LYS 97 HZ1 LYS 97 -0.631 -9.367 10.174
792 3HZ LYS 97 HZ3 LYS 97 -1.951 -9.845 9.222
793 H GLU 98 HN GLU 98 0.188 -2.719 9.057
794 HA GLU 98 HA GLU 98 2.282 -4.645 9.888
795 1HB GLU 98 HB2 GLU 98 3.063 -2.453 9.171
796 2HB GLU 98 HB1 GLU 98 1.988 -1.658 10.321
797 1HG GLU 98 HG2 GLU 98 3.196 -2.573 12.197
798 2HG GLU 98 HG1 GLU 98 4.163 -3.602 11.137
799 H GLY 99 HN GLY 99 -0.043 -2.386 11.395
800 1HA GLY 99 HA2 GLY 99 -0.083 -4.206 13.764
801 2HA GLY 99 HA1 GLY 99 0.024 -2.457 13.979
802 H GLN 100 HN GLN 100 -1.826 -3.085 11.263
803 HA GLN 100 HA GLN 100 -4.328 -2.755 12.855
804 1HB GLN 100 HB2 GLN 100 -3.279 -1.409 10.527
805 2HB GLN 100 HB1 GLN 100 -4.818 -2.174 10.132
806 1HG GLN 100 HG2 GLN 100 -5.607 -1.155 12.415
807 2HG GLN 100 HG1 GLN 100 -4.230 -0.074 12.199
808 1HE2 GLN 100 HE22 GLN 100 -7.031 1.645 10.530
809 2HE2 GLN 100 HE21 GLN 100 -6.553 1.279 12.116
810 HA PRO 101 HA PRO 101 -5.924 -6.552 11.445
811 1HB PRO 101 HB2 PRO 101 -8.525 -5.647 10.737
812 2HB PRO 101 HB1 PRO 101 -8.019 -6.335 12.285
813 1HG PRO 101 HG2 PRO 101 -8.683 -3.572 11.687
814 2HG PRO 101 HG1 PRO 101 -8.285 -4.289 13.254
815 1HD PRO 101 HD2 PRO 101 -6.633 -2.568 11.644
816 2HD PRO 101 HD1 PRO 101 -6.225 -3.321 13.198
817 H GLY 102 HN GLY 102 -6.418 -3.800 9.331
818 1HA GLY 102 HA2 GLY 102 -6.512 -3.650 6.978
819 2HA GLY 102 HA1 GLY 102 -5.534 -5.110 6.966
820 H GLU 103 HN GLU 103 -7.603 -4.719 5.042
821 HA GLU 103 HA GLU 103 -9.196 -7.109 5.611
822 1HB GLU 103 HB2 GLU 103 -11.383 -6.046 5.496
823 2HB GLU 103 HB1 GLU 103 -10.456 -5.325 6.814
824 1HG GLU 103 HG2 GLU 103 -9.997 -3.362 5.567
825 2HG GLU 103 HG1 GLU 103 -10.456 -4.123 4.045
826 H TRP 104 HN TRP 104 -11.156 -6.898 3.736
827 HA TRP 104 HA TRP 104 -9.583 -6.578 1.225
828 1HB TRP 104 HB2 TRP 104 -12.122 -8.174 1.669
829 2HB TRP 104 HB1 TRP 104 -11.109 -8.189 0.227
830 HD1 TRP 104 HD1 TRP 104 -10.833 -9.015 3.995
831 HE1 TRP 104 HE1 TRP 104 -9.164 -10.961 4.270
832 HE3 TRP 104 HE3 TRP 104 -9.326 -9.582 -0.855
833 HZ2 TRP 104 HZ2 TRP 104 -7.420 -12.547 2.650
834 HZ3 TRP 104 HZ3 TRP 104 -7.661 -11.315 -1.458
835 HH2 TRP 104 HH2 TRP 104 -6.707 -12.797 0.286
836 H MET 105 HN MET 105 -10.264 -5.062 -0.246
837 HA MET 105 HA MET 105 -12.815 -3.636 0.361
838 1HB MET 105 HB2 MET 105 -10.997 -2.094 0.447
839 2HB MET 105 HB1 MET 105 -10.255 -2.774 -1.001
840 1HG MET 105 HG2 MET 105 -11.956 -1.870 -2.414
841 2HG MET 105 HG1 MET 105 -12.986 -1.475 -1.039
842 1HE MET 105 HE1 MET 105 -9.564 -1.423 -2.174
843 2HE MET 105 HE3 MET 105 -9.184 0.256 -2.579
844 3HE MET 105 HE2 MET 105 -8.855 -0.361 -0.962
845 H SER 106 HN SER 106 -14.290 -3.258 -1.372
846 HA SER 106 HA SER 106 -14.099 -5.234 -3.540
847 1HB SER 106 HB2 SER 106 -16.269 -4.809 -2.423
848 2HB SER 106 HB1 SER 106 -16.216 -3.132 -2.961
849 HG SER 106 HG SER 106 -17.437 -4.651 -4.308
850 H LEU 107 HN LEU 107 -13.673 -4.749 -5.686
851 HA LEU 107 HA LEU 107 -12.878 -1.929 -6.242
852 1HB LEU 107 HB2 LEU 107 -11.281 -4.037 -6.471
853 2HB LEU 107 HB1 LEU 107 -12.099 -4.203 -8.026
854 HG LEU 107 HG LEU 107 -10.917 -1.576 -7.118
855 1HD1 LEU 107 HD12 LEU 107 -9.257 -3.573 -7.254
856 2HD1 LEU 107 HD11 LEU 107 -9.535 -3.490 -8.994
857 3HD1 LEU 107 HD13 LEU 107 -8.860 -2.101 -8.141
858 1HD2 LEU 107 HD21 LEU 107 -12.571 -1.551 -8.961
859 2HD2 LEU 107 HD23 LEU 107 -10.964 -1.113 -9.540
860 3HD2 LEU 107 HD22 LEU 107 -11.599 -2.731 -9.842
861 H VAL 108 HN VAL 108 -15.465 -2.016 -6.425
862 HA VAL 108 HA VAL 108 -16.297 -2.867 -9.144
863 HB VAL 108 HB VAL 108 -18.091 -1.430 -7.206
864 1HG1 VAL 108 HG13 VAL 108 -18.510 -2.440 -9.684
865 2HG1 VAL 108 HG12 VAL 108 -18.885 -3.865 -8.714
866 3HG1 VAL 108 HG11 VAL 108 -19.772 -2.362 -8.454
867 1HG2 VAL 108 HG22 VAL 108 -16.926 -4.183 -6.929
868 2HG2 VAL 108 HG21 VAL 108 -17.293 -2.998 -5.677
869 3HG2 VAL 108 HG23 VAL 108 -18.597 -3.909 -6.437
870 H GLY 109 HN GLY 109 -14.480 -0.523 -8.340
871 1HA GLY 109 HA2 GLY 109 -14.642 1.256 -10.310
872 2HA GLY 109 HA1 GLY 109 -16.047 1.769 -9.368
873 H LEU 110 HN LEU 110 -12.812 0.616 -8.411
874 HA LEU 110 HA LEU 110 -12.451 2.048 -6.104
875 1HB LEU 110 HB2 LEU 110 -10.742 0.807 -8.056
876 2HB LEU 110 HB1 LEU 110 -10.008 2.315 -7.522
877 HG LEU 110 HG LEU 110 -11.066 0.181 -5.651
878 1HD1 LEU 110 HD13 LEU 110 -8.312 0.748 -6.744
879 2HD1 LEU 110 HD12 LEU 110 -8.531 -0.056 -5.190
880 3HD1 LEU 110 HD11 LEU 110 -9.164 -0.795 -6.661
881 1HD2 LEU 110 HD22 LEU 110 -10.804 2.768 -5.058
882 2HD2 LEU 110 HD21 LEU 110 -10.340 1.518 -3.904
883 3HD2 LEU 110 HD23 LEU 110 -9.109 2.312 -4.886
884 H ASN 111 HN ASN 111 -11.914 4.180 -5.562
885 HA ASN 111 HA ASN 111 -11.689 6.124 -7.816
886 1HB ASN 111 HB2 ASN 111 -13.965 5.839 -6.272
887 2HB ASN 111 HB1 ASN 111 -13.105 7.146 -5.458
888 1HD2 ASN 111 HD22 ASN 111 -14.968 8.971 -7.992
889 2HD2 ASN 111 HD21 ASN 111 -15.183 8.292 -6.452
890 H ALA 112 HN ALA 112 -10.569 8.109 -7.210
891 HA ALA 112 HA ALA 112 -8.333 7.675 -5.472
892 1HB ALA 112 HB3 ALA 112 -9.307 9.785 -7.220
893 2HB ALA 112 HB2 ALA 112 -8.660 10.457 -5.724
894 3HB ALA 112 HB1 ALA 112 -7.651 9.424 -6.735
895 H ASP 113 HN ASP 113 -11.567 8.683 -4.887
896 HA ASP 113 HA ASP 113 -10.868 9.883 -2.297
897 1HB ASP 113 HB2 ASP 113 -12.575 11.025 -3.570
898 2HB ASP 113 HB1 ASP 113 -13.527 9.549 -3.704
899 H ASP 114 HN ASP 114 -10.596 6.940 -3.019
900 HA ASP 114 HA ASP 114 -12.575 5.611 -1.317
901 1HB ASP 114 HB2 ASP 114 -10.680 4.793 -3.270
902 2HB ASP 114 HB1 ASP 114 -10.208 4.027 -1.753
903 H PHE 115 HN PHE 115 -10.032 7.602 -0.713
904 HA PHE 115 HA PHE 115 -10.048 6.800 2.056
905 1HB PHE 115 HB2 PHE 115 -7.304 6.880 1.782
906 2HB PHE 115 HB1 PHE 115 -8.259 5.435 2.044
907 HD1 PHE 115 HD2 PHE 115 -8.240 7.424 -1.113
908 HD2 PHE 115 HD1 PHE 115 -6.894 3.887 0.911
909 HE1 PHE 115 HE2 PHE 115 -7.434 6.492 -3.259
910 HE2 PHE 115 HE1 PHE 115 -6.083 2.958 -1.231
911 HZ PHE 115 HZ PHE 115 -6.356 4.261 -3.326
912 HA PRO 116 HA PRO 116 -9.279 10.829 3.292
913 1HB PRO 116 HB2 PRO 116 -6.636 9.803 4.239
914 2HB PRO 116 HB1 PRO 116 -7.825 10.778 5.128
915 1HG PRO 116 HG2 PRO 116 -7.497 8.074 5.481
916 2HG PRO 116 HG1 PRO 116 -9.053 8.888 5.724
917 1HD PRO 116 HD2 PRO 116 -8.277 7.025 3.600
918 2HD PRO 116 HD1 PRO 116 -9.894 7.639 4.007
919 HA PRO 117 HA PRO 117 -7.126 12.193 -0.385
920 1HB PRO 117 HB2 PRO 117 -7.310 14.910 0.557
921 2HB PRO 117 HB1 PRO 117 -8.259 14.124 -0.712
922 1HG PRO 117 HG2 PRO 117 -9.133 14.861 1.932
923 2HG PRO 117 HG1 PRO 117 -10.072 14.060 0.665
924 1HD PRO 117 HD2 PRO 117 -9.059 12.905 3.099
925 2HD PRO 117 HD1 PRO 117 -9.980 12.099 1.814
926 H ALA 118 HN ALA 118 -5.021 12.804 -0.856
927 HA ALA 118 HA ALA 118 -3.197 14.391 0.396
928 1HB ALA 118 HB3 ALA 118 -3.543 11.835 1.943
929 2HB ALA 118 HB2 ALA 118 -1.962 12.614 1.878
930 3HB ALA 118 HB1 ALA 118 -3.345 13.480 2.548
931 H ASN 119 HN ASN 119 -3.871 11.406 -1.205
932 HA ASN 119 HA ASN 119 -1.115 11.393 -2.355
933 1HB ASN 119 HB2 ASN 119 -2.857 9.282 -1.286
934 2HB ASN 119 HB1 ASN 119 -2.205 8.915 -2.878
935 1HD2 ASN 119 HD22 ASN 119 0.590 9.699 0.042
936 2HD2 ASN 119 HD21 ASN 119 -0.807 10.659 -0.048
937 H GLU 120 HN GLU 120 -3.165 13.053 -3.402
938 HA GLU 120 HA GLU 120 -4.731 11.891 -5.452
939 1HB GLU 120 HB2 GLU 120 -3.577 14.657 -5.127
940 2HB GLU 120 HB1 GLU 120 -4.660 14.228 -6.452
941 1HG GLU 120 HG2 GLU 120 -5.943 13.187 -4.219
942 2HG GLU 120 HG1 GLU 120 -5.282 14.716 -3.635
943 HA PRO 121 HA PRO 121 -1.032 13.044 -8.431
944 1HB PRO 121 HB2 PRO 121 1.370 12.355 -6.991
945 2HB PRO 121 HB1 PRO 121 0.909 13.915 -7.685
946 1HG PRO 121 HG2 PRO 121 1.007 13.236 -4.914
947 2HG PRO 121 HG1 PRO 121 0.399 14.739 -5.623
948 1HD PRO 121 HD2 PRO 121 -1.109 12.545 -4.452
949 2HD PRO 121 HD1 PRO 121 -1.703 14.133 -4.972
950 H VAL 122 HN VAL 122 -0.267 10.400 -6.066
951 HA VAL 122 HA VAL 122 0.435 8.677 -8.363
952 HB VAL 122 HB VAL 122 1.167 8.811 -5.604
953 1HG1 VAL 122 HG11 VAL 122 -0.158 6.219 -6.422
954 2HG1 VAL 122 HG13 VAL 122 1.035 6.313 -5.125
955 3HG1 VAL 122 HG12 VAL 122 -0.488 7.194 -4.991
956 1HG2 VAL 122 HG21 VAL 122 1.958 6.958 -7.864
957 2HG2 VAL 122 HG23 VAL 122 2.714 8.498 -7.457
958 3HG2 VAL 122 HG22 VAL 122 2.850 7.129 -6.353
959 H ILE 123 HN ILE 123 -2.114 9.156 -6.056
960 HA ILE 123 HA ILE 123 -3.520 6.704 -6.434
961 HB ILE 123 HB ILE 123 -4.408 9.484 -5.653
962 1HG1 ILE 123 HG12 ILE 123 -2.883 7.719 -4.279
963 2HG1 ILE 123 HG11 ILE 123 -4.001 8.833 -3.496
964 1HG2 ILE 123 HG21 ILE 123 -6.258 8.196 -6.727
965 2HG2 ILE 123 HG23 ILE 123 -6.024 6.924 -5.528
966 3HG2 ILE 123 HG22 ILE 123 -6.550 8.529 -5.019
967 1HD1 ILE 123 HD12 ILE 123 -5.074 6.199 -4.419
968 2HD1 ILE 123 HD11 ILE 123 -4.062 6.222 -2.974
969 3HD1 ILE 123 HD13 ILE 123 -5.538 7.182 -3.032
970 H ALA 124 HN ALA 124 -3.436 9.763 -8.175
971 HA ALA 124 HA ALA 124 -5.690 9.325 -9.866
972 1HB ALA 124 HB3 ALA 124 -3.534 11.201 -9.683
973 2HB ALA 124 HB2 ALA 124 -3.665 10.666 -11.358
974 3HB ALA 124 HB1 ALA 124 -5.061 11.376 -10.546
975 H LYS 125 HN LYS 125 -2.578 7.852 -9.798
976 HA LYS 125 HA LYS 125 -2.606 6.967 -12.564
977 1HB LYS 125 HB2 LYS 125 -0.646 7.235 -10.653
978 2HB LYS 125 HB1 LYS 125 -0.879 5.487 -10.709
979 1HG LYS 125 HG2 LYS 125 0.702 5.818 -12.400
980 2HG LYS 125 HG1 LYS 125 -0.811 5.833 -13.308
981 1HD LYS 125 HD2 LYS 125 -0.502 8.475 -12.464
982 2HD LYS 125 HD1 LYS 125 1.127 7.977 -12.921
983 1HE LYS 125 HE2 LYS 125 -0.669 6.947 -14.882
984 2HE LYS 125 HE1 LYS 125 -1.065 8.649 -14.636
985 1HZ LYS 125 HZ3 LYS 125 1.453 8.993 -14.770
986 2HZ LYS 125 HZ2 LYS 125 1.494 7.450 -15.479
987 3HZ LYS 125 HZ1 LYS 125 0.610 8.701 -16.212
988 H LEU 126 HN LEU 126 -2.704 5.071 -9.488
989 HA LEU 126 HA LEU 126 -3.717 2.780 -10.934
990 1HB LEU 126 HB2 LEU 126 -3.418 1.624 -8.959
991 2HB LEU 126 HB1 LEU 126 -2.233 2.893 -8.805
992 HG LEU 126 HG LEU 126 -4.973 2.799 -7.529
993 1HD1 LEU 126 HD13 LEU 126 -2.138 2.518 -6.593
994 2HD1 LEU 126 HD12 LEU 126 -3.333 3.217 -5.501
995 3HD1 LEU 126 HD11 LEU 126 -3.561 1.586 -6.132
996 1HD2 LEU 126 HD23 LEU 126 -2.897 5.011 -7.551
997 2HD2 LEU 126 HD22 LEU 126 -4.489 5.076 -8.309
998 3HD2 LEU 126 HD21 LEU 126 -4.351 4.996 -6.552
999 H LYS 127 HN LYS 127 -5.425 5.354 -10.744
1000 HA LYS 127 HA LYS 127 -7.696 4.725 -9.124
1001 1HB LYS 127 HB2 LYS 127 -7.121 6.488 -11.483
1002 2HB LYS 127 HB1 LYS 127 -8.781 6.232 -10.979
1003 1HG LYS 127 HG2 LYS 127 -7.536 6.701 -8.580
1004 2HG LYS 127 HG1 LYS 127 -6.646 7.757 -9.674
1005 1HD LYS 127 HD2 LYS 127 -9.455 7.943 -10.270
1006 2HD LYS 127 HD1 LYS 127 -9.212 8.205 -8.542
1007 1HE LYS 127 HE2 LYS 127 -7.849 10.067 -8.877
1008 2HE LYS 127 HE1 LYS 127 -7.404 9.570 -10.511
1009 1HZ LYS 127 HZ1 LYS 127 -10.040 9.848 -10.763
1010 2HZ LYS 127 HZ3 LYS 127 -9.729 11.035 -9.592
1011 3HZ LYS 127 HZ2 LYS 127 -8.929 11.091 -11.090
1012 H ARG 128 HN ARG 128 -6.676 3.957 -12.395
1013 HA ARG 128 HA ARG 128 -9.156 2.649 -13.126
1014 1HB ARG 128 HB2 ARG 128 -6.570 3.279 -14.369
1015 2HB ARG 128 HB1 ARG 128 -7.256 1.744 -14.891
1016 1HG ARG 128 HG2 ARG 128 -9.477 3.169 -15.096
1017 2HG ARG 128 HG1 ARG 128 -8.341 4.515 -15.217
1018 1HD ARG 128 HD2 ARG 128 -8.109 2.022 -16.917
1019 2HD ARG 128 HD1 ARG 128 -9.006 3.450 -17.435
1020 HE ARG 128 HE ARG 128 -6.525 4.453 -16.717
1021 1HH1 ARG 128 HH11 ARG 128 -5.094 2.078 -17.421
1022 2HH1 ARG 128 HH12 ARG 128 -4.927 2.160 -19.143
1023 1HH2 ARG 128 HH21 ARG 128 -7.434 4.523 -19.540
1024 2HH2 ARG 128 HH22 ARG 128 -6.252 3.544 -20.344
1025 H LEU 129 HN LEU 129 -6.779 1.777 -11.001
1026 HA LEU 129 HA LEU 129 -5.756 -0.667 -11.251
1027 1HB LEU 129 HB2 LEU 129 -6.708 0.754 -9.081
1028 2HB LEU 129 HB1 LEU 129 -7.624 -0.746 -8.990
1029 HG LEU 129 HG LEU 129 -5.600 -2.063 -8.968
1030 1HD1 LEU 129 HD12 LEU 129 -4.461 0.440 -10.011
1031 2HD1 LEU 129 HD11 LEU 129 -3.465 -0.324 -8.773
1032 3HD1 LEU 129 HD13 LEU 129 -3.907 -1.220 -10.227
1033 1HD2 LEU 129 HD21 LEU 129 -6.401 -0.640 -6.889
1034 2HD2 LEU 129 HD23 LEU 129 -4.868 -1.509 -6.822
1035 3HD2 LEU 129 HD22 LEU 129 -4.886 0.223 -7.153
No H/Q in entry = 1035
Start of MODEL 14
1 1H MET 1 HT1 MET 1 16.327 17.895 10.189
2 2H MET 1 HT3 MET 1 15.030 18.969 9.994
3 3H MET 1 HT2 MET 1 14.734 17.307 10.184
4 HA MET 1 HA MET 1 14.451 17.811 7.892
5 1HB MET 1 HB2 MET 1 17.079 19.231 8.305
6 2HB MET 1 HB1 MET 1 16.585 18.698 6.698
7 1HG MET 1 HG2 MET 1 14.387 20.015 8.050
8 2HG MET 1 HG1 MET 1 15.803 21.065 7.999
9 1HE MET 1 HE3 MET 1 12.990 19.665 6.736
10 2HE MET 1 HE2 MET 1 12.667 21.040 5.684
11 3HE MET 1 HE1 MET 1 13.033 19.469 4.978
12 H LYS 2 HN LYS 2 14.532 15.457 8.419
13 HA LYS 2 HA LYS 2 17.135 14.244 7.585
14 1HB LYS 2 HB2 LYS 2 16.074 13.815 9.965
15 2HB LYS 2 HB1 LYS 2 15.043 12.693 9.073
16 1HG LYS 2 HG2 LYS 2 17.386 11.952 8.030
17 2HG LYS 2 HG1 LYS 2 17.985 12.577 9.567
18 1HD LYS 2 HD2 LYS 2 17.297 10.708 10.608
19 2HD LYS 2 HD1 LYS 2 15.641 11.023 10.089
20 1HE LYS 2 HE2 LYS 2 15.860 9.105 8.897
21 2HE LYS 2 HE1 LYS 2 16.786 10.098 7.770
22 1HZ LYS 2 HZ2 LYS 2 18.793 9.534 9.045
23 2HZ LYS 2 HZ1 LYS 2 17.870 8.491 10.017
24 3HZ LYS 2 HZ3 LYS 2 18.052 8.166 8.363
25 H LYS 3 HN LYS 3 15.516 11.621 7.456
26 HA LYS 3 HA LYS 3 13.701 12.077 5.200
27 1HB LYS 3 HB2 LYS 3 16.241 12.013 4.426
28 2HB LYS 3 HB1 LYS 3 16.012 10.273 4.591
29 1HG LYS 3 HG2 LYS 3 14.451 10.175 2.885
30 2HG LYS 3 HG1 LYS 3 13.921 11.839 3.134
31 1HD LYS 3 HD2 LYS 3 16.620 11.051 1.996
32 2HD LYS 3 HD1 LYS 3 15.234 11.555 1.026
33 1HE LYS 3 HE2 LYS 3 15.669 13.456 3.152
34 2HE LYS 3 HE1 LYS 3 17.166 13.221 2.249
35 1HZ LYS 3 HZ1 LYS 3 15.167 13.331 0.362
36 2HZ LYS 3 HZ3 LYS 3 14.791 14.565 1.465
37 3HZ LYS 3 HZ2 LYS 3 16.312 14.539 0.708
38 H LEU 4 HN LEU 4 12.085 10.651 5.601
39 HA LEU 4 HA LEU 4 12.827 7.990 6.758
40 1HB LEU 4 HB2 LEU 4 10.505 8.003 7.749
41 2HB LEU 4 HB1 LEU 4 11.572 9.243 8.411
42 HG LEU 4 HG LEU 4 10.310 10.330 6.097
43 1HD1 LEU 4 HD11 LEU 4 8.514 8.771 7.941
44 2HD1 LEU 4 HD13 LEU 4 7.929 10.243 7.166
45 3HD1 LEU 4 HD12 LEU 4 8.467 8.882 6.182
46 1HD2 LEU 4 HD21 LEU 4 11.122 11.218 8.501
47 2HD2 LEU 4 HD23 LEU 4 9.939 12.096 7.531
48 3HD2 LEU 4 HD22 LEU 4 9.401 11.048 8.844
49 H GLN 5 HN GLN 5 12.007 6.196 5.695
50 HA GLN 5 HA GLN 5 10.071 6.695 3.477
51 1HB GLN 5 HB2 GLN 5 12.473 4.855 3.284
52 2HB GLN 5 HB1 GLN 5 11.341 5.264 1.994
53 1HG GLN 5 HG2 GLN 5 12.827 6.884 1.446
54 2HG GLN 5 HG1 GLN 5 12.185 7.748 2.844
55 1HE2 GLN 5 HE22 GLN 5 15.694 5.654 3.397
56 2HE2 GLN 5 HE21 GLN 5 14.526 5.031 2.336
57 H ILE 6 HN ILE 6 8.642 4.961 3.071
58 HA ILE 6 HA ILE 6 8.765 2.724 5.047
59 HB ILE 6 HB ILE 6 6.482 4.457 4.131
60 1HG1 ILE 6 HG12 ILE 6 7.455 3.343 6.775
61 2HG1 ILE 6 HG11 ILE 6 7.481 5.025 6.248
62 1HG2 ILE 6 HG22 ILE 6 5.798 2.136 3.617
63 2HG2 ILE 6 HG21 ILE 6 6.210 1.656 5.264
64 3HG2 ILE 6 HG23 ILE 6 4.886 2.786 4.980
65 1HD1 ILE 6 HD13 ILE 6 4.915 4.792 6.030
66 2HD1 ILE 6 HD12 ILE 6 5.100 3.335 7.005
67 3HD1 ILE 6 HD11 ILE 6 5.586 4.900 7.657
68 H ALA 7 HN ALA 7 7.454 0.771 4.199
69 HA ALA 7 HA ALA 7 7.570 0.609 1.227
70 1HB ALA 7 HB2 ALA 7 8.915 -1.192 3.231
71 2HB ALA 7 HB1 ALA 7 8.439 -1.810 1.649
72 3HB ALA 7 HB3 ALA 7 9.587 -0.475 1.765
73 H VAL 8 HN VAL 8 5.342 0.525 0.973
74 HA VAL 8 HA VAL 8 3.874 -1.614 2.479
75 HB VAL 8 HB VAL 8 2.869 0.613 2.698
76 1HG1 VAL 8 HG13 VAL 8 2.924 0.540 -0.333
77 2HG1 VAL 8 HG12 VAL 8 1.955 1.688 0.590
78 3HG1 VAL 8 HG11 VAL 8 3.714 1.713 0.720
79 1HG2 VAL 8 HG21 VAL 8 1.423 -1.435 2.443
80 2HG2 VAL 8 HG23 VAL 8 0.633 0.051 1.916
81 3HG2 VAL 8 HG22 VAL 8 1.291 -1.068 0.723
82 H GLY 9 HN GLY 9 2.281 -2.826 1.217
83 1HA GLY 9 HA2 GLY 9 2.825 -2.925 -1.690
84 2HA GLY 9 HA1 GLY 9 3.015 -4.409 -0.763
85 H ILE 10 HN ILE 10 0.859 -2.846 -2.670
86 HA ILE 10 HA ILE 10 -1.530 -3.598 -1.100
87 HB ILE 10 HB ILE 10 -1.770 -2.576 -3.879
88 1HG1 ILE 10 HG12 ILE 10 -1.182 -0.593 -1.680
89 2HG1 ILE 10 HG11 ILE 10 0.126 -1.248 -2.653
90 1HG2 ILE 10 HG23 ILE 10 -3.167 -2.338 -1.251
91 2HG2 ILE 10 HG22 ILE 10 -3.447 -1.114 -2.489
92 3HG2 ILE 10 HG21 ILE 10 -3.816 -2.806 -2.823
93 1HD1 ILE 10 HD12 ILE 10 -2.325 -0.143 -3.983
94 2HD1 ILE 10 HD11 ILE 10 -1.021 0.928 -3.469
95 3HD1 ILE 10 HD13 ILE 10 -0.703 -0.347 -4.644
96 H ILE 11 HN ILE 11 -3.121 -5.077 -2.110
97 HA ILE 11 HA ILE 11 -1.993 -6.689 -4.326
98 HB ILE 11 HB ILE 11 -3.059 -8.084 -1.885
99 1HG1 ILE 11 HG12 ILE 11 -0.318 -6.957 -2.434
100 2HG1 ILE 11 HG11 ILE 11 -1.319 -6.747 -1.011
101 1HG2 ILE 11 HG21 ILE 11 -2.412 -9.021 -4.364
102 2HG2 ILE 11 HG23 ILE 11 -0.853 -9.162 -3.549
103 3HG2 ILE 11 HG22 ILE 11 -2.266 -9.980 -2.890
104 1HD1 ILE 11 HD11 ILE 11 -0.867 -9.557 -1.426
105 2HD1 ILE 11 HD13 ILE 11 0.680 -8.711 -1.438
106 3HD1 ILE 11 HD12 ILE 11 -0.397 -8.562 -0.051
107 H ARG 12 HN ARG 12 -3.438 -7.050 -5.775
108 HA ARG 12 HA ARG 12 -6.337 -7.137 -5.017
109 1HB ARG 12 HB2 ARG 12 -6.006 -5.098 -6.227
110 2HB ARG 12 HB1 ARG 12 -4.991 -5.897 -7.429
111 1HG ARG 12 HG2 ARG 12 -6.812 -6.325 -8.675
112 2HG ARG 12 HG1 ARG 12 -7.491 -7.276 -7.352
113 1HD ARG 12 HD2 ARG 12 -9.126 -5.653 -7.524
114 2HD ARG 12 HD1 ARG 12 -8.046 -4.857 -6.381
115 HE ARG 12 HE ARG 12 -7.103 -4.051 -8.862
116 1HH1 ARG 12 HH21 ARG 12 -9.374 -3.148 -6.595
117 2HH1 ARG 12 HH22 ARG 12 -10.290 -2.120 -7.645
118 1HH2 ARG 12 HH11 ARG 12 -8.598 -3.100 -10.510
119 2HH2 ARG 12 HH12 ARG 12 -9.850 -2.092 -9.863
120 H ASN 13 HN ASN 13 -7.477 -8.897 -5.798
121 HA ASN 13 HA ASN 13 -5.914 -10.823 -7.467
122 1HB ASN 13 HB2 ASN 13 -7.573 -12.512 -6.567
123 2HB ASN 13 HB1 ASN 13 -6.520 -11.795 -5.352
124 1HD2 ASN 13 HD21 ASN 13 -8.420 -12.473 -3.863
125 2HD2 ASN 13 HD22 ASN 13 -9.706 -11.378 -3.699
126 H GLU 14 HN GLU 14 -7.876 -12.438 -8.387
127 HA GLU 14 HA GLU 14 -9.108 -10.784 -10.471
128 1HB GLU 14 HB2 GLU 14 -9.589 -13.735 -10.044
129 2HB GLU 14 HB1 GLU 14 -9.636 -12.825 -11.555
130 1HG GLU 14 HG2 GLU 14 -7.079 -12.327 -10.691
131 2HG GLU 14 HG1 GLU 14 -7.327 -13.981 -10.132
132 H ASN 15 HN ASN 15 -9.965 -11.445 -7.360
133 HA ASN 15 HA ASN 15 -12.844 -11.869 -7.862
134 1HB ASN 15 HB2 ASN 15 -11.642 -12.964 -5.935
135 2HB ASN 15 HB1 ASN 15 -11.420 -11.363 -5.233
136 1HD2 ASN 15 HD22 ASN 15 -15.368 -12.419 -5.656
137 2HD2 ASN 15 HD21 ASN 15 -14.312 -12.599 -6.971
138 H ASN 16 HN ASN 16 -11.049 -9.321 -8.377
139 HA ASN 16 HA ASN 16 -11.388 -7.011 -8.343
140 1HB ASN 16 HB2 ASN 16 -13.478 -7.515 -9.414
141 2HB ASN 16 HB1 ASN 16 -14.187 -8.056 -7.897
142 1HD2 ASN 16 HD22 ASN 16 -15.413 -4.835 -7.221
143 2HD2 ASN 16 HD21 ASN 16 -15.614 -6.515 -7.095
144 H GLU 17 HN GLU 17 -10.371 -8.099 -5.979
145 HA GLU 17 HA GLU 17 -11.471 -6.174 -3.998
146 1HB GLU 17 HB2 GLU 17 -10.804 -9.019 -3.209
147 2HB GLU 17 HB1 GLU 17 -11.647 -7.796 -2.257
148 1HG GLU 17 HG2 GLU 17 -13.260 -7.903 -4.441
149 2HG GLU 17 HG1 GLU 17 -12.681 -9.568 -4.397
150 H ILE 18 HN ILE 18 -9.852 -5.469 -2.483
151 HA ILE 18 HA ILE 18 -7.098 -6.482 -3.063
152 HB ILE 18 HB ILE 18 -7.416 -3.646 -2.237
153 1HG1 ILE 18 HG12 ILE 18 -7.463 -3.579 -5.044
154 2HG1 ILE 18 HG11 ILE 18 -8.722 -4.728 -4.607
155 1HG2 ILE 18 HG22 ILE 18 -5.220 -4.755 -2.632
156 2HG2 ILE 18 HG21 ILE 18 -5.683 -5.007 -4.315
157 3HG2 ILE 18 HG23 ILE 18 -5.484 -3.369 -3.690
158 1HD1 ILE 18 HD11 ILE 18 -8.446 -1.940 -3.447
159 2HD1 ILE 18 HD13 ILE 18 -9.579 -2.395 -4.719
160 3HD1 ILE 18 HD12 ILE 18 -9.742 -3.086 -3.104
161 H PHE 19 HN PHE 19 -5.652 -6.412 -1.285
162 HA PHE 19 HA PHE 19 -6.967 -6.588 1.345
163 1HB PHE 19 HB2 PHE 19 -5.377 -8.316 1.002
164 2HB PHE 19 HB1 PHE 19 -4.204 -7.211 0.293
165 HD1 PHE 19 HD2 PHE 19 -6.077 -7.751 3.507
166 HD2 PHE 19 HD1 PHE 19 -2.455 -6.431 1.613
167 HE1 PHE 19 HE2 PHE 19 -5.037 -7.401 5.733
168 HE2 PHE 19 HE1 PHE 19 -1.416 -6.083 3.835
169 HZ PHE 19 HZ PHE 19 -2.704 -6.567 5.896
170 H ILE 20 HN ILE 20 -7.419 -4.126 0.949
171 HA ILE 20 HA ILE 20 -5.114 -2.412 1.372
172 HB ILE 20 HB ILE 20 -7.382 -1.981 0.060
173 1HG1 ILE 20 HG12 ILE 20 -6.418 -0.001 -0.294
174 2HG1 ILE 20 HG11 ILE 20 -6.923 0.538 1.300
175 1HG2 ILE 20 HG22 ILE 20 -8.455 -2.183 2.532
176 2HG2 ILE 20 HG21 ILE 20 -8.212 -0.441 2.424
177 3HG2 ILE 20 HG23 ILE 20 -9.188 -1.272 1.213
178 1HD1 ILE 20 HD11 ILE 20 -4.857 -0.704 2.195
179 2HD1 ILE 20 HD13 ILE 20 -4.331 -0.790 0.517
180 3HD1 ILE 20 HD12 ILE 20 -4.561 0.778 1.288
181 H THR 21 HN THR 21 -6.441 -0.512 3.026
182 HA THR 21 HA THR 21 -6.682 -1.943 5.624
183 HB THR 21 HB THR 21 -5.508 0.590 6.096
184 HG1 THR 21 HG1 THR 21 -3.712 -0.842 4.558
185 1HG2 THR 21 HG23 THR 21 -5.337 -1.910 7.109
186 2HG2 THR 21 HG22 THR 21 -3.822 -1.842 6.212
187 3HG2 THR 21 HG21 THR 21 -4.158 -0.647 7.465
188 H ARG 22 HN ARG 22 -8.284 -1.028 6.986
189 HA ARG 22 HA ARG 22 -9.761 1.267 5.763
190 1HB ARG 22 HB2 ARG 22 -10.603 -1.388 6.536
191 2HB ARG 22 HB1 ARG 22 -11.531 -0.167 7.395
192 1HG ARG 22 HG2 ARG 22 -11.097 0.365 4.519
193 2HG ARG 22 HG1 ARG 22 -12.108 -1.030 4.876
194 1HD ARG 22 HD2 ARG 22 -12.999 0.939 6.646
195 2HD ARG 22 HD1 ARG 22 -12.731 1.800 5.132
196 HE ARG 22 HE ARG 22 -15.007 0.351 5.516
197 1HH1 ARG 22 HH11 ARG 22 -14.339 -2.200 4.729
198 2HH1 ARG 22 HH12 ARG 22 -14.233 -2.186 2.999
199 1HH2 ARG 22 HH21 ARG 22 -13.947 1.264 2.779
200 2HH2 ARG 22 HH22 ARG 22 -14.011 -0.226 1.896
201 H ARG 23 HN ARG 23 -11.572 1.622 7.887
202 HA ARG 23 HA ARG 23 -10.284 3.434 9.548
203 1HB ARG 23 HB2 ARG 23 -12.278 2.914 11.097
204 2HB ARG 23 HB1 ARG 23 -12.638 3.503 9.482
205 1HG ARG 23 HG2 ARG 23 -13.788 1.622 9.035
206 2HG ARG 23 HG1 ARG 23 -12.357 0.651 9.382
207 1HD ARG 23 HD2 ARG 23 -12.949 0.968 11.863
208 2HD ARG 23 HD1 ARG 23 -14.520 1.533 11.297
209 HE ARG 23 HE ARG 23 -14.026 -1.131 11.637
210 1HH1 ARG 23 HH11 ARG 23 -15.841 0.659 9.554
211 2HH1 ARG 23 HH12 ARG 23 -15.896 -0.507 8.274
212 1HH2 ARG 23 HH21 ARG 23 -13.491 -2.569 9.685
213 2HH2 ARG 23 HH22 ARG 23 -14.568 -2.334 8.349
214 H ALA 24 HN ALA 24 -8.342 2.616 10.429
215 HA ALA 24 HA ALA 24 -8.653 0.363 12.367
216 1HB ALA 24 HB2 ALA 24 -6.948 0.239 10.416
217 2HB ALA 24 HB1 ALA 24 -6.015 1.411 11.346
218 3HB ALA 24 HB3 ALA 24 -6.377 -0.174 12.033
219 H ALA 25 HN ALA 25 -9.335 1.576 14.166
220 HA ALA 25 HA ALA 25 -8.853 2.701 16.186
221 1HB ALA 25 HB2 ALA 25 -6.355 2.103 15.332
222 2HB ALA 25 HB1 ALA 25 -6.299 3.862 15.214
223 3HB ALA 25 HB3 ALA 25 -6.673 3.093 16.757
224 H ASP 26 HN ASP 26 -9.037 4.918 16.895
225 HA ASP 26 HA ASP 26 -9.915 7.073 16.607
226 1HB ASP 26 HB2 ASP 26 -7.698 6.934 14.561
227 2HB ASP 26 HB1 ASP 26 -8.623 8.411 14.830
228 H ALA 27 HN ALA 27 -9.303 7.378 13.237
229 HA ALA 27 HA ALA 27 -10.876 7.733 11.512
230 1HB ALA 27 HB3 ALA 27 -10.462 5.300 11.403
231 2HB ALA 27 HB2 ALA 27 -11.762 5.028 12.562
232 3HB ALA 27 HB1 ALA 27 -12.127 5.681 10.965
233 H HIS 28 HN HIS 28 -12.053 9.501 12.504
234 HA HIS 28 HA HIS 28 -14.382 8.868 14.181
235 1HB HIS 28 HB2 HIS 28 -13.392 11.485 13.012
236 2HB HIS 28 HB1 HIS 28 -14.762 11.335 14.112
237 HD1 HIS 28 HD1 HIS 28 -12.006 12.835 14.758
238 HD2 HIS 28 HD2 HIS 28 -13.083 9.019 16.049
239 HE1 HIS 28 HE1 HIS 28 -10.630 12.365 16.830
240 H MET 29 HN MET 29 -14.455 11.181 11.513
241 HA MET 29 HA MET 29 -16.869 9.756 10.489
242 1HB MET 29 HB2 MET 29 -16.554 12.405 11.206
243 2HB MET 29 HB1 MET 29 -16.345 12.457 9.455
244 1HG MET 29 HG2 MET 29 -18.464 11.152 9.208
245 2HG MET 29 HG1 MET 29 -18.691 11.254 10.953
246 1HE MET 29 HE3 MET 29 -20.081 11.920 8.324
247 2HE MET 29 HE2 MET 29 -21.257 12.879 9.219
248 3HE MET 29 HE1 MET 29 -20.337 13.623 7.913
249 H ALA 30 HN ALA 30 -17.137 10.350 7.988
250 HA ALA 30 HA ALA 30 -16.345 9.751 5.856
251 1HB ALA 30 HB1 ALA 30 -14.890 11.956 6.857
252 2HB ALA 30 HB3 ALA 30 -13.702 10.895 6.101
253 3HB ALA 30 HB2 ALA 30 -15.079 11.482 5.169
254 H ASN 31 HN ASN 31 -16.110 7.487 6.117
255 HA ASN 31 HA ASN 31 -14.183 6.030 7.464
256 1HB ASN 31 HB2 ASN 31 -15.196 5.493 4.653
257 2HB ASN 31 HB1 ASN 31 -14.404 4.307 5.691
258 1HD2 ASN 31 HD22 ASN 31 -18.313 4.635 6.040
259 2HD2 ASN 31 HD21 ASN 31 -17.402 4.996 4.655
260 H LYS 32 HN LYS 32 -12.012 6.392 7.513
261 HA LYS 32 HA LYS 32 -10.679 7.370 5.039
262 1HB LYS 32 HB2 LYS 32 -8.856 8.058 6.475
263 2HB LYS 32 HB1 LYS 32 -10.362 8.610 7.210
264 1HG LYS 32 HG2 LYS 32 -9.731 7.530 9.085
265 2HG LYS 32 HG1 LYS 32 -9.997 6.020 8.212
266 1HD LYS 32 HD2 LYS 32 -7.644 6.205 7.331
267 2HD LYS 32 HD1 LYS 32 -7.407 7.577 8.413
268 1HE LYS 32 HE2 LYS 32 -7.534 6.262 10.331
269 2HE LYS 32 HE1 LYS 32 -8.470 5.001 9.527
270 1HZ LYS 32 HZ1 LYS 32 -5.884 5.419 8.354
271 2HZ LYS 32 HZ3 LYS 32 -5.799 4.934 9.978
272 3HZ LYS 32 HZ2 LYS 32 -6.632 3.976 8.849
273 H LEU 33 HN LEU 33 -9.058 6.183 4.047
274 HA LEU 33 HA LEU 33 -8.704 3.389 4.990
275 1HB LEU 33 HB2 LEU 33 -8.377 4.772 2.324
276 2HB LEU 33 HB1 LEU 33 -7.783 3.156 2.622
277 HG LEU 33 HG LEU 33 -10.615 4.122 2.468
278 1HD1 LEU 33 HD12 LEU 33 -9.129 2.825 0.694
279 2HD1 LEU 33 HD11 LEU 33 -9.628 1.426 1.644
280 3HD1 LEU 33 HD13 LEU 33 -10.842 2.456 0.886
281 1HD2 LEU 33 HD22 LEU 33 -9.720 1.633 3.939
282 2HD2 LEU 33 HD21 LEU 33 -10.474 3.042 4.681
283 3HD2 LEU 33 HD23 LEU 33 -11.385 2.044 3.550
284 H GLU 34 HN GLU 34 -6.346 2.693 3.914
285 HA GLU 34 HA GLU 34 -4.299 4.704 4.377
286 1HB GLU 34 HB2 GLU 34 -5.161 3.537 6.656
287 2HB GLU 34 HB1 GLU 34 -3.945 2.366 6.163
288 1HG GLU 34 HG2 GLU 34 -2.580 4.666 5.729
289 2HG GLU 34 HG1 GLU 34 -3.612 5.171 7.068
290 H PHE 35 HN PHE 35 -2.290 2.773 5.009
291 HA PHE 35 HA PHE 35 -2.366 0.797 2.819
292 1HB PHE 35 HB2 PHE 35 -0.701 3.272 2.824
293 2HB PHE 35 HB1 PHE 35 0.069 1.787 2.271
294 HD1 PHE 35 HD1 PHE 35 -1.938 0.309 0.867
295 HD2 PHE 35 HD2 PHE 35 -1.363 4.560 1.014
296 HE1 PHE 35 HE1 PHE 35 -3.075 0.538 -1.325
297 HE2 PHE 35 HE2 PHE 35 -2.496 4.791 -1.175
298 HZ PHE 35 HZ PHE 35 -3.355 2.780 -2.347
299 HA PRO 36 HA PRO 36 -0.230 -1.454 5.955
300 1HB PRO 36 HB2 PRO 36 0.999 -3.183 4.014
301 2HB PRO 36 HB1 PRO 36 -0.406 -3.522 5.033
302 1HG PRO 36 HG2 PRO 36 -0.374 -3.017 2.193
303 2HG PRO 36 HG1 PRO 36 -1.774 -3.357 3.220
304 1HD PRO 36 HD2 PRO 36 -1.031 -0.837 2.030
305 2HD PRO 36 HD1 PRO 36 -2.432 -1.183 3.066
306 H GLY 37 HN GLY 37 2.295 -2.690 5.535
307 1HA GLY 37 HA2 GLY 37 4.347 -1.502 4.234
308 2HA GLY 37 HA1 GLY 37 3.997 -0.287 5.458
309 H GLY 38 HN GLY 38 6.435 -1.716 5.271
310 1HA GLY 38 HA2 GLY 38 6.413 -3.039 7.935
311 2HA GLY 38 HA1 GLY 38 7.176 -3.876 6.578
312 H LYS 39 HN LYS 39 7.310 -0.434 6.590
313 HA LYS 39 HA LYS 39 9.066 1.070 6.959
314 1HB LYS 39 HB2 LYS 39 9.351 -0.916 9.010
315 2HB LYS 39 HB1 LYS 39 10.954 -0.484 8.409
316 1HG LYS 39 HG2 LYS 39 10.807 1.338 9.736
317 2HG LYS 39 HG1 LYS 39 9.647 1.960 8.565
318 1HD LYS 39 HD2 LYS 39 7.839 0.739 9.843
319 2HD LYS 39 HD1 LYS 39 9.043 0.399 11.087
320 1HE LYS 39 HE2 LYS 39 8.417 2.388 11.978
321 2HE LYS 39 HE1 LYS 39 9.378 3.102 10.683
322 1HZ LYS 39 HZ2 LYS 39 6.753 2.345 9.827
323 2HZ LYS 39 HZ1 LYS 39 6.716 3.482 11.088
324 3HZ LYS 39 HZ3 LYS 39 7.560 3.832 9.659
325 H ILE 40 HN ILE 40 11.293 1.423 6.200
326 HA ILE 40 HA ILE 40 12.415 -0.816 4.587
327 HB ILE 40 HB ILE 40 11.078 0.512 3.030
328 1HG1 ILE 40 HG12 ILE 40 14.009 1.247 2.739
329 2HG1 ILE 40 HG11 ILE 40 13.342 -0.333 2.328
330 1HG2 ILE 40 HG22 ILE 40 11.988 2.660 4.692
331 2HG2 ILE 40 HG21 ILE 40 12.490 2.988 3.033
332 3HG2 ILE 40 HG23 ILE 40 10.788 2.709 3.401
333 1HD1 ILE 40 HD11 ILE 40 11.740 0.834 0.771
334 2HD1 ILE 40 HD13 ILE 40 12.619 2.331 1.079
335 3HD1 ILE 40 HD12 ILE 40 13.432 0.974 0.296
336 H GLU 41 HN GLU 41 14.292 -1.032 5.795
337 HA GLU 41 HA GLU 41 15.887 1.455 6.244
338 1HB GLU 41 HB2 GLU 41 16.166 -1.209 7.663
339 2HB GLU 41 HB1 GLU 41 16.956 0.309 8.092
340 1HG GLU 41 HG2 GLU 41 14.455 1.196 8.184
341 2HG GLU 41 HG1 GLU 41 14.100 -0.510 8.460
342 H MET 42 HN MET 42 15.704 -1.291 4.326
343 HA MET 42 HA MET 42 18.352 -2.205 4.080
344 1HB MET 42 HB2 MET 42 15.959 -2.168 2.379
345 2HB MET 42 HB1 MET 42 17.466 -2.163 1.461
346 1HG MET 42 HG2 MET 42 17.071 -4.456 1.798
347 2HG MET 42 HG1 MET 42 18.197 -4.056 3.095
348 1HE MET 42 HE2 MET 42 18.089 -4.194 5.051
349 2HE MET 42 HE1 MET 42 16.741 -3.909 6.149
350 3HE MET 42 HE3 MET 42 17.168 -5.559 5.675
351 H GLY 43 HN GLY 43 16.996 -0.006 1.620
352 1HA GLY 43 HA2 GLY 43 18.009 2.263 1.333
353 2HA GLY 43 HA1 GLY 43 19.552 1.535 1.778
354 H GLU 44 HN GLU 44 17.876 -0.660 -0.104
355 HA GLU 44 HA GLU 44 19.598 -0.012 -2.413
356 1HB GLU 44 HB2 GLU 44 18.806 -2.406 -1.297
357 2HB GLU 44 HB1 GLU 44 17.761 -2.285 -2.712
358 1HG GLU 44 HG2 GLU 44 20.238 -1.443 -3.657
359 2HG GLU 44 HG1 GLU 44 20.634 -2.781 -2.577
360 H THR 45 HN THR 45 16.251 -1.271 -2.520
361 HA THR 45 HA THR 45 15.264 1.177 -3.738
362 HB THR 45 HB THR 45 16.605 -0.540 -5.460
363 HG1 THR 45 HG1 THR 45 15.482 1.739 -5.524
364 1HG2 THR 45 HG23 THR 45 14.754 -2.179 -5.332
365 2HG2 THR 45 HG22 THR 45 13.624 -0.931 -5.849
366 3HG2 THR 45 HG21 THR 45 14.891 -1.479 -6.944
367 HA PRO 46 HA PRO 46 11.360 -0.385 -2.531
368 1HB PRO 46 HB2 PRO 46 9.823 0.391 -4.756
369 2HB PRO 46 HB1 PRO 46 10.209 1.391 -3.349
370 1HG PRO 46 HG2 PRO 46 11.231 1.633 -6.071
371 2HG PRO 46 HG1 PRO 46 11.461 2.726 -4.706
372 1HD PRO 46 HD2 PRO 46 13.362 0.889 -5.824
373 2HD PRO 46 HD1 PRO 46 13.591 1.999 -4.459
374 H GLU 47 HN GLU 47 12.986 -2.154 -4.597
375 HA GLU 47 HA GLU 47 10.666 -3.760 -5.560
376 1HB GLU 47 HB2 GLU 47 13.236 -3.000 -6.725
377 2HB GLU 47 HB1 GLU 47 12.972 -4.739 -6.773
378 1HG GLU 47 HG2 GLU 47 10.742 -4.353 -7.804
379 2HG GLU 47 HG1 GLU 47 11.071 -2.620 -7.815
380 H GLN 48 HN GLN 48 13.908 -3.985 -4.143
381 HA GLN 48 HA GLN 48 13.723 -6.765 -3.493
382 1HB GLN 48 HB2 GLN 48 15.644 -4.632 -3.348
383 2HB GLN 48 HB1 GLN 48 15.577 -5.482 -1.804
384 1HG GLN 48 HG2 GLN 48 16.356 -7.420 -2.681
385 2HG GLN 48 HG1 GLN 48 15.522 -7.173 -4.215
386 1HE2 GLN 48 HE22 GLN 48 18.278 -5.582 -5.772
387 2HE2 GLN 48 HE21 GLN 48 16.642 -6.016 -5.901
388 H ALA 49 HN ALA 49 13.719 -3.843 -1.593
389 HA ALA 49 HA ALA 49 13.269 -4.693 0.943
390 1HB ALA 49 HB1 ALA 49 12.164 -2.376 -0.576
391 2HB ALA 49 HB3 ALA 49 11.499 -2.701 1.025
392 3HB ALA 49 HB2 ALA 49 13.224 -2.389 0.833
393 H VAL 50 HN VAL 50 10.514 -4.097 -1.273
394 HA VAL 50 HA VAL 50 8.602 -5.426 0.408
395 HB VAL 50 HB VAL 50 8.196 -3.770 -1.484
396 1HG1 VAL 50 HG13 VAL 50 9.598 -5.031 -3.140
397 2HG1 VAL 50 HG12 VAL 50 8.354 -6.279 -3.168
398 3HG1 VAL 50 HG11 VAL 50 7.982 -4.649 -3.732
399 1HG2 VAL 50 HG21 VAL 50 6.612 -5.831 -0.446
400 2HG2 VAL 50 HG23 VAL 50 6.048 -4.384 -1.279
401 3HG2 VAL 50 HG22 VAL 50 6.337 -5.868 -2.187
402 H VAL 51 HN VAL 51 10.745 -6.483 -2.170
403 HA VAL 51 HA VAL 51 9.719 -8.963 -2.865
404 HB VAL 51 HB VAL 51 12.131 -7.618 -3.180
405 1HG1 VAL 51 HG13 VAL 51 12.600 -10.152 -1.605
406 2HG1 VAL 51 HG12 VAL 51 13.787 -9.544 -2.753
407 3HG1 VAL 51 HG11 VAL 51 13.328 -8.566 -1.365
408 1HG2 VAL 51 HG22 VAL 51 10.744 -9.195 -4.650
409 2HG2 VAL 51 HG21 VAL 51 12.493 -9.155 -4.887
410 3HG2 VAL 51 HG23 VAL 51 11.756 -10.474 -3.977
411 H ARG 52 HN ARG 52 11.951 -8.360 -0.202
412 HA ARG 52 HA ARG 52 11.678 -10.898 1.019
413 1HB ARG 52 HB2 ARG 52 13.527 -9.982 1.904
414 2HB ARG 52 HB1 ARG 52 13.068 -8.388 1.359
415 1HG ARG 52 HG2 ARG 52 11.721 -8.024 3.311
416 2HG ARG 52 HG1 ARG 52 11.999 -9.671 3.883
417 1HD ARG 52 HD2 ARG 52 14.046 -7.451 3.611
418 2HD ARG 52 HD1 ARG 52 13.514 -8.233 5.098
419 HE ARG 52 HE ARG 52 15.709 -9.137 3.753
420 1HH1 ARG 52 HH21 ARG 52 13.524 -10.590 5.658
421 2HH1 ARG 52 HH22 ARG 52 13.568 -12.153 4.913
422 1HH2 ARG 52 HH11 ARG 52 15.345 -11.072 2.137
423 2HH2 ARG 52 HH12 ARG 52 14.599 -12.426 2.918
424 H GLU 53 HN GLU 53 9.829 -7.882 1.250
425 HA GLU 53 HA GLU 53 8.460 -8.630 3.706
426 1HB GLU 53 HB2 GLU 53 7.529 -6.719 1.544
427 2HB GLU 53 HB1 GLU 53 7.002 -6.755 3.228
428 1HG GLU 53 HG2 GLU 53 9.928 -6.524 2.738
429 2HG GLU 53 HG1 GLU 53 8.945 -5.102 2.385
430 H LEU 54 HN LEU 54 8.358 -9.847 0.599
431 HA LEU 54 HA LEU 54 5.511 -10.455 0.453
432 1HB LEU 54 HB2 LEU 54 7.722 -10.507 -1.326
433 2HB LEU 54 HB1 LEU 54 7.127 -12.162 -1.214
434 HG LEU 54 HG LEU 54 5.057 -10.052 -1.476
435 1HD1 LEU 54 HD13 LEU 54 7.274 -10.329 -3.362
436 2HD1 LEU 54 HD12 LEU 54 5.702 -10.583 -4.117
437 3HD1 LEU 54 HD11 LEU 54 6.037 -9.079 -3.259
438 1HD2 LEU 54 HD22 LEU 54 4.979 -12.734 -1.502
439 2HD2 LEU 54 HD21 LEU 54 3.853 -11.768 -2.455
440 3HD2 LEU 54 HD23 LEU 54 5.279 -12.470 -3.219
441 H GLN 55 HN GLN 55 8.423 -12.532 0.678
442 HA GLN 55 HA GLN 55 6.815 -14.777 1.628
443 1HB GLN 55 HB2 GLN 55 9.791 -14.371 1.263
444 2HB GLN 55 HB1 GLN 55 9.096 -15.867 1.886
445 1HG GLN 55 HG2 GLN 55 7.559 -15.361 -0.359
446 2HG GLN 55 HG1 GLN 55 9.176 -14.857 -0.860
447 1HE2 GLN 55 HE22 GLN 55 9.453 -18.363 -1.615
448 2HE2 GLN 55 HE21 GLN 55 9.042 -16.865 -2.299
449 H GLU 56 HN GLU 56 8.670 -12.223 3.123
450 HA GLU 56 HA GLU 56 8.954 -13.657 5.658
451 1HB GLU 56 HB2 GLU 56 10.069 -11.738 6.457
452 2HB GLU 56 HB1 GLU 56 10.488 -11.793 4.745
453 1HG GLU 56 HG2 GLU 56 9.775 -9.635 4.722
454 2HG GLU 56 HG1 GLU 56 8.161 -10.345 4.687
455 H GLU 57 HN GLU 57 6.173 -13.012 4.418
456 HA GLU 57 HA GLU 57 5.032 -12.063 6.991
457 1HB GLU 57 HB2 GLU 57 4.851 -10.704 4.356
458 2HB GLU 57 HB1 GLU 57 3.351 -10.819 5.277
459 1HG GLU 57 HG2 GLU 57 4.139 -9.502 7.005
460 2HG GLU 57 HG1 GLU 57 5.818 -9.972 6.734
461 H VAL 58 HN VAL 58 3.877 -12.949 3.701
462 HA VAL 58 HA VAL 58 2.144 -14.994 5.038
463 HB VAL 58 HB VAL 58 0.340 -14.475 3.603
464 1HG1 VAL 58 HG12 VAL 58 1.711 -12.239 4.842
465 2HG1 VAL 58 HG11 VAL 58 0.742 -11.732 3.459
466 3HG1 VAL 58 HG13 VAL 58 -0.012 -12.610 4.789
467 1HG2 VAL 58 HG21 VAL 58 2.487 -13.527 1.815
468 2HG2 VAL 58 HG23 VAL 58 0.981 -14.349 1.427
469 3HG2 VAL 58 HG22 VAL 58 0.985 -12.614 1.741
470 H GLY 59 HN GLY 59 4.153 -14.134 2.303
471 1HA GLY 59 HA2 GLY 59 5.296 -15.462 0.780
472 2HA GLY 59 HA1 GLY 59 4.907 -16.849 1.801
473 H ILE 60 HN ILE 60 3.268 -14.599 -0.436
474 HA ILE 60 HA ILE 60 1.322 -16.698 -1.151
475 HB ILE 60 HB ILE 60 1.025 -14.611 -3.012
476 1HG1 ILE 60 HG12 ILE 60 1.740 -13.541 -0.273
477 2HG1 ILE 60 HG11 ILE 60 2.552 -13.156 -1.781
478 1HG2 ILE 60 HG23 ILE 60 -0.324 -15.123 -0.338
479 2HG2 ILE 60 HG22 ILE 60 -0.946 -14.009 -1.554
480 3HG2 ILE 60 HG21 ILE 60 -0.832 -15.731 -1.914
481 1HD1 ILE 60 HD12 ILE 60 0.296 -12.280 -2.607
482 2HD1 ILE 60 HD11 ILE 60 -0.243 -12.386 -0.931
483 3HD1 ILE 60 HD13 ILE 60 1.092 -11.319 -1.362
484 H THR 61 HN THR 61 1.194 -17.518 -3.420
485 HA THR 61 HA THR 61 3.933 -17.550 -4.598
486 HB THR 61 HB THR 61 3.774 -19.764 -4.619
487 HG1 THR 61 HG1 THR 61 2.945 -20.449 -6.395
488 1HG2 THR 61 HG22 THR 61 0.915 -19.301 -3.744
489 2HG2 THR 61 HG21 THR 61 1.615 -20.910 -3.904
490 3HG2 THR 61 HG23 THR 61 2.292 -19.763 -2.749
491 HA PRO 62 HA PRO 62 1.298 -17.017 -8.536
492 1HB PRO 62 HB2 PRO 62 -1.461 -16.691 -8.079
493 2HB PRO 62 HB1 PRO 62 -0.673 -18.134 -8.724
494 1HG PRO 62 HG2 PRO 62 -1.875 -17.763 -6.106
495 2HG PRO 62 HG1 PRO 62 -1.249 -19.245 -6.830
496 1HD PRO 62 HD2 PRO 62 -0.030 -17.661 -4.764
497 2HD PRO 62 HD1 PRO 62 0.581 -19.133 -5.514
498 H GLN 63 HN GLN 63 2.312 -14.968 -6.975
499 HA GLN 63 HA GLN 63 0.309 -12.827 -7.026
500 1HB GLN 63 HB2 GLN 63 1.839 -13.493 -4.959
501 2HB GLN 63 HB1 GLN 63 2.994 -12.451 -5.791
502 1HG GLN 63 HG2 GLN 63 0.834 -10.866 -5.954
503 2HG GLN 63 HG1 GLN 63 0.404 -11.753 -4.491
504 1HE2 GLN 63 HE22 GLN 63 4.022 -9.808 -4.298
505 2HE2 GLN 63 HE21 GLN 63 3.634 -10.702 -5.683
506 H HIS 64 HN HIS 64 0.706 -12.985 -9.431
507 HA HIS 64 HA HIS 64 3.195 -12.043 -10.550
508 1HB HIS 64 HB2 HIS 64 1.116 -13.116 -11.742
509 2HB HIS 64 HB1 HIS 64 0.528 -11.455 -11.825
510 HD1 HIS 64 HD1 HIS 64 0.920 -12.031 -14.517
511 HD2 HIS 64 HD2 HIS 64 4.314 -11.417 -12.174
512 HE1 HIS 64 HE1 HIS 64 2.816 -11.527 -16.119
513 H PHE 65 HN PHE 65 4.051 -10.041 -10.059
514 HA PHE 65 HA PHE 65 2.095 -7.790 -9.820
515 1HB PHE 65 HB2 PHE 65 3.466 -6.844 -8.024
516 2HB PHE 65 HB1 PHE 65 2.900 -8.451 -7.594
517 HD1 PHE 65 HD1 PHE 65 5.801 -6.529 -8.871
518 HD2 PHE 65 HD2 PHE 65 4.444 -10.273 -7.271
519 HE1 PHE 65 HE1 PHE 65 8.153 -7.273 -8.619
520 HE2 PHE 65 HE2 PHE 65 6.794 -11.019 -7.012
521 HZ PHE 65 HZ PHE 65 8.650 -9.519 -7.689
522 H SER 66 HN SER 66 3.307 -5.695 -9.720
523 HA SER 66 HA SER 66 5.809 -5.409 -11.167
524 1HB SER 66 HB2 SER 66 3.185 -4.774 -12.537
525 2HB SER 66 HB1 SER 66 4.689 -3.975 -12.985
526 HG SER 66 HG SER 66 4.022 -6.036 -14.101
527 H LEU 67 HN LEU 67 6.695 -3.486 -10.352
528 HA LEU 67 HA LEU 67 5.403 -2.029 -8.339
529 1HB LEU 67 HB2 LEU 67 7.758 -1.667 -8.624
530 2HB LEU 67 HB1 LEU 67 7.527 -1.072 -10.270
531 HG LEU 67 HG LEU 67 6.267 0.862 -9.431
532 1HD1 LEU 67 HD11 LEU 67 6.450 -0.672 -6.875
533 2HD1 LEU 67 HD13 LEU 67 6.502 1.089 -6.777
534 3HD1 LEU 67 HD12 LEU 67 5.119 0.288 -7.520
535 1HD2 LEU 67 HD23 LEU 67 8.963 0.529 -9.251
536 2HD2 LEU 67 HD22 LEU 67 8.148 2.041 -8.852
537 3HD2 LEU 67 HD21 LEU 67 8.584 0.910 -7.572
538 H PHE 68 HN PHE 68 3.305 -1.458 -8.788
539 HA PHE 68 HA PHE 68 2.140 -0.439 -11.079
540 1HB PHE 68 HB2 PHE 68 0.590 -0.590 -9.400
541 2HB PHE 68 HB1 PHE 68 1.728 -0.122 -8.159
542 HD1 PHE 68 HD1 PHE 68 0.429 1.563 -11.260
543 HD2 PHE 68 HD2 PHE 68 0.984 1.717 -7.008
544 HE1 PHE 68 HE1 PHE 68 -0.529 3.852 -11.217
545 HE2 PHE 68 HE2 PHE 68 0.030 3.993 -6.963
546 HZ PHE 68 HZ PHE 68 -0.724 5.065 -9.063
547 H GLU 69 HN GLU 69 3.097 1.777 -8.500
548 HA GLU 69 HA GLU 69 4.795 3.379 -10.249
549 1HB GLU 69 HB2 GLU 69 2.053 3.897 -10.374
550 2HB GLU 69 HB1 GLU 69 2.684 5.140 -9.295
551 1HG GLU 69 HG2 GLU 69 4.457 5.631 -11.003
552 2HG GLU 69 HG1 GLU 69 3.652 4.505 -12.096
553 H LYS 70 HN LYS 70 5.682 5.275 -9.064
554 HA LYS 70 HA LYS 70 5.567 4.848 -6.103
555 1HB LYS 70 HB2 LYS 70 7.762 4.289 -7.124
556 2HB LYS 70 HB1 LYS 70 7.855 5.920 -7.789
557 1HG LYS 70 HG2 LYS 70 7.521 6.695 -5.324
558 2HG LYS 70 HG1 LYS 70 8.002 5.051 -4.910
559 1HD LYS 70 HD2 LYS 70 9.600 7.007 -6.589
560 2HD LYS 70 HD1 LYS 70 9.963 6.525 -4.931
561 1HE LYS 70 HE2 LYS 70 10.578 4.356 -5.555
562 2HE LYS 70 HE1 LYS 70 9.681 4.432 -7.072
563 1HZ LYS 70 HZ1 LYS 70 11.965 6.229 -6.565
564 2HZ LYS 70 HZ3 LYS 70 12.213 4.657 -7.149
565 3HZ LYS 70 HZ2 LYS 70 11.288 5.759 -8.051
566 H LEU 71 HN LEU 71 5.682 6.805 -4.792
567 HA LEU 71 HA LEU 71 5.013 9.298 -6.305
568 1HB LEU 71 HB2 LEU 71 3.645 9.806 -4.117
569 2HB LEU 71 HB1 LEU 71 2.941 8.785 -5.370
570 HG LEU 71 HG LEU 71 3.917 6.790 -4.123
571 1HD1 LEU 71 HD11 LEU 71 4.574 9.043 -2.255
572 2HD1 LEU 71 HD13 LEU 71 4.159 7.467 -1.580
573 3HD1 LEU 71 HD12 LEU 71 5.533 7.625 -2.673
574 1HD2 LEU 71 HD21 LEU 71 1.680 8.547 -3.273
575 2HD2 LEU 71 HD23 LEU 71 1.661 6.846 -3.739
576 3HD2 LEU 71 HD22 LEU 71 2.173 7.311 -2.117
577 H GLU 72 HN GLU 72 5.064 11.167 -4.408
578 HA GLU 72 HA GLU 72 7.334 10.810 -2.574
579 1HB GLU 72 HB2 GLU 72 7.859 11.674 -5.192
580 2HB GLU 72 HB1 GLU 72 7.858 13.149 -4.227
581 1HG GLU 72 HG2 GLU 72 9.672 12.491 -2.962
582 2HG GLU 72 HG1 GLU 72 9.300 10.775 -3.128
583 H TYR 73 HN TYR 73 7.443 12.569 -1.033
584 HA TYR 73 HA TYR 73 5.561 14.812 -1.350
585 1HB TYR 73 HB2 TYR 73 4.390 12.677 -0.319
586 2HB TYR 73 HB1 TYR 73 5.226 13.188 1.148
587 HD1 TYR 73 HD2 TYR 73 3.215 14.709 -1.645
588 HD2 TYR 73 HD1 TYR 73 4.119 14.671 2.556
589 HE1 TYR 73 HE2 TYR 73 1.488 16.447 -1.256
590 HE2 TYR 73 HE1 TYR 73 2.392 16.409 2.944
591 HH TYR 73 HH TYR 73 0.045 17.060 1.306
592 H GLU 74 HN GLU 74 5.747 16.338 0.539
593 HA GLU 74 HA GLU 74 8.183 16.012 2.191
594 1HB GLU 74 HB2 GLU 74 8.948 17.103 0.090
595 2HB GLU 74 HB1 GLU 74 7.765 18.386 0.349
596 1HG GLU 74 HG2 GLU 74 8.843 19.090 2.377
597 2HG GLU 74 HG1 GLU 74 9.889 17.670 2.384
598 H PHE 75 HN PHE 75 7.614 16.601 4.198
599 HA PHE 75 HA PHE 75 5.169 18.143 4.665
600 1HB PHE 75 HB2 PHE 75 6.982 16.423 6.180
601 2HB PHE 75 HB1 PHE 75 6.480 17.842 7.095
602 HD1 PHE 75 HD2 PHE 75 4.849 15.520 4.629
603 HD2 PHE 75 HD1 PHE 75 4.637 17.444 8.463
604 HE1 PHE 75 HE2 PHE 75 2.649 14.453 5.043
605 HE2 PHE 75 HE1 PHE 75 2.436 16.378 8.876
606 HZ PHE 75 HZ PHE 75 1.443 14.881 7.167
607 HA PRO 76 HA PRO 76 6.783 22.130 5.412
608 1HB PRO 76 HB2 PRO 76 6.176 22.329 8.230
609 2HB PRO 76 HB1 PRO 76 5.303 23.049 6.870
610 1HG PRO 76 HG2 PRO 76 4.470 20.830 8.497
611 2HG PRO 76 HG1 PRO 76 3.632 21.516 7.098
612 1HD PRO 76 HD2 PRO 76 5.026 18.995 7.263
613 2HD PRO 76 HD1 PRO 76 4.173 19.680 5.867
614 H ASP 77 HN ASP 77 7.840 19.508 7.326
615 HA ASP 77 HA ASP 77 10.508 20.675 7.546
616 1HB ASP 77 HB2 ASP 77 10.685 20.485 9.959
617 2HB ASP 77 HB1 ASP 77 9.295 21.503 9.577
618 H ARG 78 HN ARG 78 8.706 18.044 6.828
619 HA ARG 78 HA ARG 78 10.841 16.184 7.691
620 1HB ARG 78 HB2 ARG 78 7.840 15.918 7.709
621 2HB ARG 78 HB1 ARG 78 8.891 14.517 7.699
622 1HG ARG 78 HG2 ARG 78 9.801 16.445 9.641
623 2HG ARG 78 HG1 ARG 78 8.114 16.022 9.936
624 1HD ARG 78 HD2 ARG 78 9.633 13.651 9.276
625 2HD ARG 78 HD1 ARG 78 10.379 14.497 10.634
626 HE ARG 78 HE ARG 78 7.695 14.466 11.292
627 1HH1 ARG 78 HH11 ARG 78 10.111 12.745 12.369
628 2HH1 ARG 78 HH12 ARG 78 9.359 11.184 12.372
629 1HH2 ARG 78 HH21 ARG 78 6.673 12.183 10.419
630 2HH2 ARG 78 HH22 ARG 78 7.411 10.866 11.268
631 H HIS 79 HN HIS 79 10.097 13.980 6.288
632 HA HIS 79 HA HIS 79 9.592 14.802 3.484
633 1HB HIS 79 HB2 HIS 79 11.979 13.094 4.235
634 2HB HIS 79 HB1 HIS 79 11.577 13.738 2.641
635 HD1 HIS 79 HD1 HIS 79 12.983 14.738 5.969
636 HD2 HIS 79 HD2 HIS 79 12.128 16.514 2.297
637 HE1 HIS 79 HE1 HIS 79 14.073 17.022 6.008
638 H ILE 80 HN ILE 80 8.258 13.324 2.530
639 HA ILE 80 HA ILE 80 8.031 10.662 3.872
640 HB ILE 80 HB ILE 80 5.815 11.737 2.177
641 1HG1 ILE 80 HG12 ILE 80 6.510 13.624 3.675
642 2HG1 ILE 80 HG11 ILE 80 4.902 13.004 4.055
643 1HG2 ILE 80 HG21 ILE 80 6.219 9.490 3.739
644 2HG2 ILE 80 HG23 ILE 80 5.276 10.535 4.799
645 3HG2 ILE 80 HG22 ILE 80 4.647 10.094 3.212
646 1HD1 ILE 80 HD12 ILE 80 5.969 11.539 5.808
647 2HD1 ILE 80 HD11 ILE 80 7.486 12.386 5.509
648 3HD1 ILE 80 HD13 ILE 80 6.094 13.267 6.139
649 H THR 81 HN THR 81 9.699 9.815 2.443
650 HA THR 81 HA THR 81 9.058 9.737 -0.447
651 HB THR 81 HB THR 81 11.266 8.058 0.137
652 HG1 THR 81 HG1 THR 81 11.304 10.517 1.552
653 1HG2 THR 81 HG23 THR 81 10.788 10.734 -1.102
654 2HG2 THR 81 HG22 THR 81 12.454 10.251 -0.786
655 3HG2 THR 81 HG21 THR 81 11.433 9.261 -1.829
656 H LEU 82 HN LEU 82 7.120 8.424 -0.279
657 HA LEU 82 HA LEU 82 7.530 5.674 0.772
658 1HB LEU 82 HB2 LEU 82 5.284 7.524 0.609
659 2HB LEU 82 HB1 LEU 82 4.874 5.930 -0.022
660 HG LEU 82 HG LEU 82 6.000 5.002 2.108
661 1HD1 LEU 82 HD13 LEU 82 6.628 7.687 2.452
662 2HD1 LEU 82 HD12 LEU 82 5.283 7.437 3.565
663 3HD1 LEU 82 HD11 LEU 82 6.732 6.439 3.694
664 1HD2 LEU 82 HD23 LEU 82 3.367 5.917 1.550
665 2HD2 LEU 82 HD22 LEU 82 3.851 4.673 2.703
666 3HD2 LEU 82 HD21 LEU 82 3.714 6.352 3.224
667 H TRP 83 HN TRP 83 6.443 3.917 -0.539
668 HA TRP 83 HA TRP 83 6.760 4.435 -3.469
669 1HB TRP 83 HB2 TRP 83 7.163 1.669 -2.443
670 2HB TRP 83 HB1 TRP 83 7.995 2.515 -3.747
671 HD1 TRP 83 HD1 TRP 83 8.310 1.593 -0.150
672 HE1 TRP 83 HE1 TRP 83 10.455 2.625 0.843
673 HE3 TRP 83 HE3 TRP 83 9.582 4.791 -3.923
674 HZ2 TRP 83 HZ2 TRP 83 12.444 4.551 0.133
675 HZ3 TRP 83 HZ3 TRP 83 11.605 6.213 -3.737
676 HH2 TRP 83 HH2 TRP 83 13.035 6.097 -1.715
677 H PHE 84 HN PHE 84 5.427 2.860 -4.795
678 HA PHE 84 HA PHE 84 3.048 1.870 -3.291
679 1HB PHE 84 HB2 PHE 84 3.164 3.990 -5.336
680 2HB PHE 84 HB1 PHE 84 1.960 2.746 -5.661
681 HD1 PHE 84 HD2 PHE 84 3.248 4.726 -2.735
682 HD2 PHE 84 HD1 PHE 84 -0.151 3.053 -4.757
683 HE1 PHE 84 HE2 PHE 84 1.742 5.738 -1.042
684 HE2 PHE 84 HE1 PHE 84 -1.653 4.062 -3.066
685 HZ PHE 84 HZ PHE 84 -0.710 5.407 -1.211
686 H TRP 85 HN TRP 85 3.874 -0.305 -3.641
687 HA TRP 85 HA TRP 85 4.227 -1.114 -6.463
688 1HB TRP 85 HB2 TRP 85 5.693 -2.563 -5.553
689 2HB TRP 85 HB1 TRP 85 5.290 -1.955 -3.958
690 HD1 TRP 85 HD1 TRP 85 2.494 -3.148 -3.440
691 HE1 TRP 85 HE1 TRP 85 2.151 -5.689 -3.217
692 HE3 TRP 85 HE3 TRP 85 6.645 -4.801 -5.892
693 HZ2 TRP 85 HZ2 TRP 85 3.470 -8.102 -3.974
694 HZ3 TRP 85 HZ3 TRP 85 7.084 -7.227 -6.123
695 HH2 TRP 85 HH2 TRP 85 5.503 -8.882 -5.169
696 H LEU 86 HN LEU 86 2.848 -2.766 -7.418
697 HA LEU 86 HA LEU 86 0.345 -3.340 -5.919
698 1HB LEU 86 HB2 LEU 86 0.106 -1.249 -7.380
699 2HB LEU 86 HB1 LEU 86 0.284 -2.325 -8.767
700 HG LEU 86 HG LEU 86 -1.669 -3.582 -8.139
701 1HD1 LEU 86 HD12 LEU 86 -1.520 -1.943 -5.608
702 2HD1 LEU 86 HD11 LEU 86 -2.979 -2.813 -6.085
703 3HD1 LEU 86 HD13 LEU 86 -1.488 -3.700 -5.769
704 1HD2 LEU 86 HD22 LEU 86 -1.747 -0.955 -8.935
705 2HD2 LEU 86 HD21 LEU 86 -3.158 -2.010 -8.851
706 3HD2 LEU 86 HD23 LEU 86 -2.786 -0.926 -7.511
707 H VAL 87 HN VAL 87 -0.194 -5.461 -6.174
708 HA VAL 87 HA VAL 87 1.198 -6.970 -8.317
709 HB VAL 87 HB VAL 87 0.702 -8.907 -7.004
710 1HG1 VAL 87 HG12 VAL 87 2.191 -6.731 -6.060
711 2HG1 VAL 87 HG11 VAL 87 1.289 -7.325 -4.665
712 3HG1 VAL 87 HG13 VAL 87 2.350 -8.415 -5.558
713 1HG2 VAL 87 HG22 VAL 87 -1.510 -7.363 -6.152
714 2HG2 VAL 87 HG21 VAL 87 -1.159 -9.048 -5.761
715 3HG2 VAL 87 HG23 VAL 87 -0.560 -7.756 -4.720
716 H GLU 88 HN GLU 88 -0.614 -9.144 -8.457
717 HA GLU 88 HA GLU 88 -3.146 -7.911 -9.410
718 1HB GLU 88 HB2 GLU 88 -1.510 -9.793 -11.123
719 2HB GLU 88 HB1 GLU 88 -2.991 -8.948 -11.579
720 1HG GLU 88 HG2 GLU 88 -1.829 -6.778 -11.273
721 2HG GLU 88 HG1 GLU 88 -0.344 -7.644 -10.880
722 H ARG 89 HN ARG 89 -1.451 -10.767 -8.227
723 HA ARG 89 HA ARG 89 -4.035 -11.945 -7.544
724 1HB ARG 89 HB2 ARG 89 -3.383 -14.136 -8.749
725 2HB ARG 89 HB1 ARG 89 -4.027 -12.820 -9.730
726 1HG ARG 89 HG2 ARG 89 -1.250 -12.356 -9.559
727 2HG ARG 89 HG1 ARG 89 -1.431 -14.081 -9.873
728 1HD ARG 89 HD2 ARG 89 -2.823 -11.905 -11.459
729 2HD ARG 89 HD1 ARG 89 -1.340 -12.712 -11.966
730 HE ARG 89 HE ARG 89 -3.778 -13.752 -12.606
731 1HH1 ARG 89 HH11 ARG 89 -0.901 -15.112 -12.214
732 2HH1 ARG 89 HH12 ARG 89 -1.425 -16.616 -11.532
733 1HH2 ARG 89 HH21 ARG 89 -4.658 -15.517 -10.928
734 2HH2 ARG 89 HH22 ARG 89 -3.553 -16.845 -10.804
735 H TRP 90 HN TRP 90 -3.291 -14.519 -6.959
736 HA TRP 90 HA TRP 90 -0.901 -15.234 -5.851
737 1HB TRP 90 HB2 TRP 90 -0.783 -14.511 -3.594
738 2HB TRP 90 HB1 TRP 90 -0.933 -13.079 -4.563
739 HD1 TRP 90 HD1 TRP 90 -2.876 -15.320 -2.202
740 HE1 TRP 90 HE1 TRP 90 -4.969 -14.081 -1.366
741 HE3 TRP 90 HE3 TRP 90 -2.640 -11.142 -5.123
742 HZ2 TRP 90 HZ2 TRP 90 -6.369 -11.634 -1.876
743 HZ3 TRP 90 HZ3 TRP 90 -4.353 -9.380 -4.922
744 HH2 TRP 90 HH2 TRP 90 -6.225 -9.615 -3.316
745 H GLU 91 HN GLU 91 -1.094 -16.613 -3.899
746 HA GLU 91 HA GLU 91 -3.719 -18.041 -3.913
747 1HB GLU 91 HB2 GLU 91 -1.780 -19.331 -4.762
748 2HB GLU 91 HB1 GLU 91 -0.963 -19.095 -3.222
749 1HG GLU 91 HG2 GLU 91 -2.336 -20.548 -2.108
750 2HG GLU 91 HG1 GLU 91 -3.726 -20.181 -3.129
751 H GLY 92 HN GLY 92 -0.901 -17.712 -1.727
752 1HA GLY 92 HA2 GLY 92 -2.285 -18.269 0.669
753 2HA GLY 92 HA1 GLY 92 -0.798 -17.329 0.582
754 H GLU 93 HN GLU 93 -1.661 -15.962 2.294
755 HA GLU 93 HA GLU 93 -3.912 -14.216 1.473
756 1HB GLU 93 HB2 GLU 93 -3.545 -13.506 3.995
757 2HB GLU 93 HB1 GLU 93 -4.471 -14.944 3.596
758 1HG GLU 93 HG2 GLU 93 -1.512 -15.224 3.930
759 2HG GLU 93 HG1 GLU 93 -2.484 -14.997 5.381
760 HA PRO 94 HA PRO 94 -1.001 -11.080 0.325
761 1HB PRO 94 HB2 PRO 94 -2.991 -9.140 1.275
762 2HB PRO 94 HB1 PRO 94 -2.381 -9.407 -0.361
763 1HG PRO 94 HG2 PRO 94 -4.911 -10.198 0.622
764 2HG PRO 94 HG1 PRO 94 -4.186 -10.679 -0.912
765 1HD PRO 94 HD2 PRO 94 -4.655 -12.313 1.420
766 2HD PRO 94 HD1 PRO 94 -3.951 -12.801 -0.133
767 H TRP 95 HN TRP 95 0.497 -9.777 1.386
768 HA TRP 95 HA TRP 95 0.318 -9.647 4.354
769 1HB TRP 95 HB2 TRP 95 2.852 -9.139 4.038
770 2HB TRP 95 HB1 TRP 95 2.321 -10.792 3.752
771 HD1 TRP 95 HD1 TRP 95 2.729 -11.776 1.443
772 HE1 TRP 95 HE1 TRP 95 3.593 -10.895 -0.795
773 HE3 TRP 95 HE3 TRP 95 2.899 -6.807 2.504
774 HZ2 TRP 95 HZ2 TRP 95 4.287 -8.368 -1.998
775 HZ3 TRP 95 HZ3 TRP 95 3.660 -5.178 0.806
776 HH2 TRP 95 HH2 TRP 95 4.355 -5.951 -1.445
777 H GLY 96 HN GLY 96 2.118 -7.632 4.809
778 1HA GLY 96 HA2 GLY 96 2.207 -5.345 3.319
779 2HA GLY 96 HA1 GLY 96 0.598 -5.278 4.006
780 H LYS 97 HN LYS 97 0.373 -4.855 6.196
781 HA LYS 97 HA LYS 97 2.909 -4.250 7.667
782 1HB LYS 97 HB2 LYS 97 1.807 -2.168 7.288
783 2HB LYS 97 HB1 LYS 97 0.229 -2.848 7.689
784 1HG LYS 97 HG2 LYS 97 0.531 -2.405 9.876
785 2HG LYS 97 HG1 LYS 97 2.082 -3.243 9.878
786 1HD LYS 97 HD2 LYS 97 2.126 -0.630 8.520
787 2HD LYS 97 HD1 LYS 97 1.782 -0.543 10.248
788 1HE LYS 97 HE2 LYS 97 3.876 -2.448 9.865
789 2HE LYS 97 HE1 LYS 97 4.302 -0.984 8.979
790 1HZ LYS 97 HZ3 LYS 97 3.190 -0.594 11.632
791 2HZ LYS 97 HZ2 LYS 97 4.734 -1.300 11.578
792 3HZ LYS 97 HZ1 LYS 97 4.464 0.215 10.859
793 H GLU 98 HN GLU 98 3.105 -5.124 9.728
794 HA GLU 98 HA GLU 98 1.011 -7.068 10.510
795 1HB GLU 98 HB2 GLU 98 3.583 -7.518 10.479
796 2HB GLU 98 HB1 GLU 98 3.590 -6.628 12.004
797 1HG GLU 98 HG2 GLU 98 1.556 -8.793 11.632
798 2HG GLU 98 HG1 GLU 98 3.223 -9.258 11.977
799 H GLY 99 HN GLY 99 -0.348 -5.034 10.970
800 1HA GLY 99 HA2 GLY 99 -0.730 -4.718 13.738
801 2HA GLY 99 HA1 GLY 99 0.248 -3.350 13.215
802 H GLN 100 HN GLN 100 -0.953 -3.321 10.560
803 HA GLN 100 HA GLN 100 -3.428 -1.861 11.253
804 1HB GLN 100 HB2 GLN 100 -1.373 -1.573 9.277
805 2HB GLN 100 HB1 GLN 100 -2.914 -1.807 8.449
806 1HG GLN 100 HG2 GLN 100 -3.340 0.368 8.856
807 2HG GLN 100 HG1 GLN 100 -3.520 -0.076 10.553
808 1HE2 GLN 100 HE22 GLN 100 -0.426 1.346 11.540
809 2HE2 GLN 100 HE21 GLN 100 -1.735 0.371 12.004
810 HA PRO 101 HA PRO 101 -5.539 -5.679 10.152
811 1HB PRO 101 HB2 PRO 101 -8.049 -4.392 10.598
812 2HB PRO 101 HB1 PRO 101 -7.198 -5.498 11.685
813 1HG PRO 101 HG2 PRO 101 -7.533 -2.626 11.950
814 2HG PRO 101 HG1 PRO 101 -6.796 -3.754 13.095
815 1HD PRO 101 HD2 PRO 101 -5.457 -1.828 11.445
816 2HD PRO 101 HD1 PRO 101 -4.716 -3.027 12.524
817 H GLY 102 HN GLY 102 -4.892 -5.246 7.848
818 1HA GLY 102 HA2 GLY 102 -6.753 -3.605 6.262
819 2HA GLY 102 HA1 GLY 102 -5.355 -4.468 5.627
820 H GLU 103 HN GLU 103 -7.699 -4.769 4.184
821 HA GLU 103 HA GLU 103 -8.183 -7.640 4.575
822 1HB GLU 103 HB2 GLU 103 -10.554 -7.518 5.006
823 2HB GLU 103 HB1 GLU 103 -9.730 -6.541 6.220
824 1HG GLU 103 HG2 GLU 103 -10.233 -4.861 3.973
825 2HG GLU 103 HG1 GLU 103 -11.731 -5.716 4.342
826 H TRP 104 HN TRP 104 -9.929 -8.418 2.981
827 HA TRP 104 HA TRP 104 -9.300 -7.275 0.348
828 1HB TRP 104 HB2 TRP 104 -11.188 -9.567 0.899
829 2HB TRP 104 HB1 TRP 104 -10.225 -9.266 -0.548
830 HD1 TRP 104 HD1 TRP 104 -7.476 -8.611 0.906
831 HE1 TRP 104 HE1 TRP 104 -6.133 -10.524 1.989
832 HE3 TRP 104 HE3 TRP 104 -11.184 -12.074 1.489
833 HZ2 TRP 104 HZ2 TRP 104 -6.569 -13.173 2.970
834 HZ3 TRP 104 HZ3 TRP 104 -10.692 -14.283 2.501
835 HH2 TRP 104 HH2 TRP 104 -8.392 -14.837 3.242
836 H MET 105 HN MET 105 -10.471 -5.464 -0.132
837 HA MET 105 HA MET 105 -13.378 -5.449 0.526
838 1HB MET 105 HB2 MET 105 -12.598 -3.501 1.474
839 2HB MET 105 HB1 MET 105 -11.250 -3.371 0.353
840 1HG MET 105 HG2 MET 105 -13.027 -2.785 -1.434
841 2HG MET 105 HG1 MET 105 -14.128 -2.556 -0.077
842 1HE MET 105 HE1 MET 105 -10.868 -1.623 -1.809
843 2HE MET 105 HE3 MET 105 -10.195 -0.295 -0.852
844 3HE MET 105 HE2 MET 105 -10.223 -1.929 -0.199
845 H SER 106 HN SER 106 -14.856 -5.341 -1.145
846 HA SER 106 HA SER 106 -13.779 -5.585 -3.888
847 1HB SER 106 HB2 SER 106 -16.538 -5.799 -4.027
848 2HB SER 106 HB1 SER 106 -15.413 -7.147 -3.900
849 HG SER 106 HG SER 106 -17.024 -5.939 -1.970
850 H LEU 107 HN LEU 107 -13.197 -3.323 -4.149
851 HA LEU 107 HA LEU 107 -15.229 -1.252 -3.850
852 1HB LEU 107 HB2 LEU 107 -12.394 -1.377 -4.374
853 2HB LEU 107 HB1 LEU 107 -13.173 -0.324 -5.557
854 HG LEU 107 HG LEU 107 -13.573 -0.128 -2.558
855 1HD1 LEU 107 HD11 LEU 107 -11.369 0.685 -4.126
856 2HD1 LEU 107 HD13 LEU 107 -12.302 2.146 -3.804
857 3HD1 LEU 107 HD12 LEU 107 -11.727 1.155 -2.464
858 1HD2 LEU 107 HD21 LEU 107 -15.245 0.721 -4.537
859 2HD2 LEU 107 HD23 LEU 107 -15.080 1.536 -2.981
860 3HD2 LEU 107 HD22 LEU 107 -14.185 2.123 -4.383
861 H VAL 108 HN VAL 108 -13.606 -2.714 -6.676
862 HA VAL 108 HA VAL 108 -14.417 -3.110 -8.832
863 HB VAL 108 HB VAL 108 -16.574 -3.378 -7.196
864 1HG1 VAL 108 HG13 VAL 108 -17.043 -0.853 -8.035
865 2HG1 VAL 108 HG12 VAL 108 -17.784 -1.735 -9.368
866 3HG1 VAL 108 HG11 VAL 108 -18.343 -2.001 -7.718
867 1HG2 VAL 108 HG22 VAL 108 -15.783 -4.566 -9.382
868 2HG2 VAL 108 HG21 VAL 108 -17.492 -4.634 -8.952
869 3HG2 VAL 108 HG23 VAL 108 -16.937 -3.497 -10.181
870 H GLY 109 HN GLY 109 -13.385 -0.578 -7.761
871 1HA GLY 109 HA2 GLY 109 -13.308 1.062 -9.978
872 2HA GLY 109 HA1 GLY 109 -14.744 1.610 -9.100
873 H LEU 110 HN LEU 110 -11.568 0.415 -8.015
874 HA LEU 110 HA LEU 110 -11.231 1.753 -5.685
875 1HB LEU 110 HB2 LEU 110 -9.499 0.623 -7.656
876 2HB LEU 110 HB1 LEU 110 -8.788 2.138 -7.110
877 HG LEU 110 HG LEU 110 -9.837 0.039 -5.204
878 1HD1 LEU 110 HD11 LEU 110 -7.157 0.353 -6.531
879 2HD1 LEU 110 HD13 LEU 110 -7.250 -0.297 -4.894
880 3HD1 LEU 110 HD12 LEU 110 -8.076 -1.120 -6.217
881 1HD2 LEU 110 HD22 LEU 110 -9.580 2.412 -4.411
882 2HD2 LEU 110 HD21 LEU 110 -8.536 1.273 -3.559
883 3HD2 LEU 110 HD23 LEU 110 -7.867 2.314 -4.815
884 H ASN 111 HN ASN 111 -10.670 3.868 -5.008
885 HA ASN 111 HA ASN 111 -10.119 5.956 -7.002
886 1HB ASN 111 HB2 ASN 111 -12.755 5.494 -6.557
887 2HB ASN 111 HB1 ASN 111 -12.421 6.639 -5.258
888 1HD2 ASN 111 HD22 ASN 111 -12.118 9.407 -7.434
889 2HD2 ASN 111 HD21 ASN 111 -12.096 8.845 -5.832
890 H ALA 112 HN ALA 112 -9.336 7.906 -6.008
891 HA ALA 112 HA ALA 112 -7.993 7.513 -3.488
892 1HB ALA 112 HB1 ALA 112 -7.265 9.062 -5.378
893 2HB ALA 112 HB3 ALA 112 -8.527 10.169 -4.842
894 3HB ALA 112 HB2 ALA 112 -7.195 9.762 -3.760
895 H ASP 113 HN ASP 113 -11.199 8.246 -4.201
896 HA ASP 113 HA ASP 113 -11.886 10.188 -2.253
897 1HB ASP 113 HB2 ASP 113 -13.252 9.003 -4.169
898 2HB ASP 113 HB1 ASP 113 -13.719 7.911 -2.875
899 H ASP 114 HN ASP 114 -11.702 6.638 -2.041
900 HA ASP 114 HA ASP 114 -12.511 6.651 0.764
901 1HB ASP 114 HB2 ASP 114 -12.305 4.715 -1.270
902 2HB ASP 114 HB1 ASP 114 -11.115 4.245 -0.056
903 H PHE 115 HN PHE 115 -9.648 7.379 -0.883
904 HA PHE 115 HA PHE 115 -7.978 6.485 1.408
905 1HB PHE 115 HB2 PHE 115 -7.415 7.211 -1.421
906 2HB PHE 115 HB1 PHE 115 -6.158 7.574 -0.236
907 HD1 PHE 115 HD2 PHE 115 -8.302 4.871 -1.606
908 HD2 PHE 115 HD1 PHE 115 -4.876 5.826 0.805
909 HE1 PHE 115 HE2 PHE 115 -7.689 2.473 -1.535
910 HE2 PHE 115 HE1 PHE 115 -4.264 3.423 0.878
911 HZ PHE 115 HZ PHE 115 -5.673 1.747 -0.290
912 HA PRO 116 HA PRO 116 -8.140 10.502 3.163
913 1HB PRO 116 HB2 PRO 116 -5.742 10.105 4.651
914 2HB PRO 116 HB1 PRO 116 -7.394 9.857 5.212
915 1HG PRO 116 HG2 PRO 116 -5.394 7.858 4.652
916 2HG PRO 116 HG1 PRO 116 -7.048 7.607 5.229
917 1HD PRO 116 HD2 PRO 116 -5.979 7.132 2.574
918 2HD PRO 116 HD1 PRO 116 -7.604 6.778 3.185
919 HA PRO 117 HA PRO 117 -5.430 13.152 0.955
920 1HB PRO 117 HB2 PRO 117 -4.758 14.887 3.130
921 2HB PRO 117 HB1 PRO 117 -6.010 15.131 1.904
922 1HG PRO 117 HG2 PRO 117 -6.362 14.459 4.700
923 2HG PRO 117 HG1 PRO 117 -7.609 14.775 3.488
924 1HD PRO 117 HD2 PRO 117 -6.887 12.240 4.635
925 2HD PRO 117 HD1 PRO 117 -8.103 12.557 3.381
926 H ALA 118 HN ALA 118 -3.375 12.522 0.400
927 HA ALA 118 HA ALA 118 -1.031 13.053 1.744
928 1HB ALA 118 HB2 ALA 118 -2.424 10.724 2.918
929 2HB ALA 118 HB1 ALA 118 -0.718 10.465 2.553
930 3HB ALA 118 HB3 ALA 118 -1.200 11.778 3.625
931 H ASN 119 HN ASN 119 -2.506 10.149 0.248
932 HA ASN 119 HA ASN 119 -0.144 9.977 -1.535
933 1HB ASN 119 HB2 ASN 119 -2.104 8.041 -0.395
934 2HB ASN 119 HB1 ASN 119 -1.445 7.693 -1.985
935 1HD2 ASN 119 HD22 ASN 119 0.818 6.413 0.814
936 2HD2 ASN 119 HD21 ASN 119 -0.858 6.282 0.593
937 H GLU 120 HN GLU 120 -2.160 11.951 -1.980
938 HA GLU 120 HA GLU 120 -4.127 11.132 -3.878
939 1HB GLU 120 HB2 GLU 120 -2.848 13.861 -3.753
940 2HB GLU 120 HB1 GLU 120 -4.481 13.453 -4.277
941 1HG GLU 120 HG2 GLU 120 -4.905 12.578 -1.935
942 2HG GLU 120 HG1 GLU 120 -3.358 13.286 -1.470
943 HA PRO 121 HA PRO 121 -0.825 12.683 -7.128
944 1HB PRO 121 HB2 PRO 121 1.715 11.691 -6.204
945 2HB PRO 121 HB1 PRO 121 1.240 13.364 -6.524
946 1HG PRO 121 HG2 PRO 121 1.695 12.164 -3.971
947 2HG PRO 121 HG1 PRO 121 1.091 13.795 -4.293
948 1HD PRO 121 HD2 PRO 121 -0.371 11.476 -3.326
949 2HD PRO 121 HD1 PRO 121 -0.934 13.154 -3.460
950 H VAL 122 HN VAL 122 -0.251 9.622 -5.317
951 HA VAL 122 HA VAL 122 0.190 8.290 -7.934
952 HB VAL 122 HB VAL 122 1.155 7.905 -5.229
953 1HG1 VAL 122 HG13 VAL 122 -0.405 5.655 -6.431
954 2HG1 VAL 122 HG12 VAL 122 1.093 5.290 -5.580
955 3HG1 VAL 122 HG11 VAL 122 -0.220 6.114 -4.740
956 1HG2 VAL 122 HG23 VAL 122 2.459 8.051 -7.369
957 2HG2 VAL 122 HG22 VAL 122 2.882 6.662 -6.368
958 3HG2 VAL 122 HG21 VAL 122 1.855 6.447 -7.787
959 H ILE 123 HN ILE 123 -1.916 8.305 -5.123
960 HA ILE 123 HA ILE 123 -3.656 6.173 -5.793
961 HB ILE 123 HB ILE 123 -4.134 8.779 -4.341
962 1HG1 ILE 123 HG12 ILE 123 -2.450 7.142 -3.439
963 2HG1 ILE 123 HG11 ILE 123 -3.807 7.443 -2.354
964 1HG2 ILE 123 HG21 ILE 123 -6.194 7.566 -5.340
965 2HG2 ILE 123 HG23 ILE 123 -5.864 6.322 -4.136
966 3HG2 ILE 123 HG22 ILE 123 -6.220 7.972 -3.625
967 1HD1 ILE 123 HD13 ILE 123 -4.784 5.353 -3.809
968 2HD1 ILE 123 HD12 ILE 123 -3.066 4.977 -3.815
969 3HD1 ILE 123 HD11 ILE 123 -3.923 5.162 -2.286
970 H ALA 124 HN ALA 124 -3.438 9.478 -6.957
971 HA ALA 124 HA ALA 124 -6.009 9.535 -8.252
972 1HB ALA 124 HB2 ALA 124 -3.540 11.193 -8.291
973 2HB ALA 124 HB1 ALA 124 -4.638 11.356 -9.662
974 3HB ALA 124 HB3 ALA 124 -5.216 11.678 -8.027
975 H LYS 125 HN LYS 125 -2.888 8.261 -9.209
976 HA LYS 125 HA LYS 125 -3.517 8.154 -12.034
977 1HB LYS 125 HB2 LYS 125 -1.183 8.190 -11.127
978 2HB LYS 125 HB1 LYS 125 -1.446 6.560 -10.507
979 1HG LYS 125 HG2 LYS 125 -0.649 5.894 -12.530
980 2HG LYS 125 HG1 LYS 125 -2.268 6.291 -13.108
981 1HD LYS 125 HD2 LYS 125 -1.547 8.530 -13.732
982 2HD LYS 125 HD1 LYS 125 0.047 8.247 -13.029
983 1HE LYS 125 HE2 LYS 125 0.193 6.245 -14.658
984 2HE LYS 125 HE1 LYS 125 -1.163 6.999 -15.496
985 1HZ LYS 125 HZ3 LYS 125 1.371 8.402 -14.854
986 2HZ LYS 125 HZ2 LYS 125 1.055 7.657 -16.349
987 3HZ LYS 125 HZ1 LYS 125 0.106 8.968 -15.831
988 H LEU 126 HN LEU 126 -3.194 5.549 -9.583
989 HA LEU 126 HA LEU 126 -4.391 3.620 -11.338
990 1HB LEU 126 HB2 LEU 126 -4.149 2.125 -9.502
991 2HB LEU 126 HB1 LEU 126 -2.739 3.147 -9.520
992 HG LEU 126 HG LEU 126 -5.135 3.860 -7.839
993 1HD1 LEU 126 HD11 LEU 126 -2.899 1.927 -7.242
994 2HD1 LEU 126 HD13 LEU 126 -3.792 2.752 -5.965
995 3HD1 LEU 126 HD12 LEU 126 -4.636 1.670 -7.074
996 1HD2 LEU 126 HD22 LEU 126 -2.327 4.737 -8.158
997 2HD2 LEU 126 HD21 LEU 126 -3.732 5.646 -7.604
998 3HD2 LEU 126 HD23 LEU 126 -2.873 4.584 -6.490
999 H LYS 127 HN LYS 127 -5.956 6.174 -10.134
1000 HA LYS 127 HA LYS 127 -8.108 5.288 -8.609
1001 1HB LYS 127 HB2 LYS 127 -7.827 7.291 -10.842
1002 2HB LYS 127 HB1 LYS 127 -9.388 6.994 -10.098
1003 1HG LYS 127 HG2 LYS 127 -8.147 7.339 -7.851
1004 2HG LYS 127 HG1 LYS 127 -6.894 8.081 -8.838
1005 1HD LYS 127 HD2 LYS 127 -8.401 9.757 -9.660
1006 2HD LYS 127 HD1 LYS 127 -9.799 8.919 -8.984
1007 1HE LYS 127 HE2 LYS 127 -9.350 9.616 -6.829
1008 2HE LYS 127 HE1 LYS 127 -7.612 9.708 -7.108
1009 1HZ LYS 127 HZ1 LYS 127 -9.369 11.543 -8.571
1010 2HZ LYS 127 HZ3 LYS 127 -9.059 11.860 -6.934
1011 3HZ LYS 127 HZ2 LYS 127 -7.771 11.768 -8.039
1012 H ARG 128 HN ARG 128 -7.565 5.081 -12.110
1013 HA ARG 128 HA ARG 128 -9.876 3.259 -12.316
1014 1HB ARG 128 HB2 ARG 128 -9.750 3.811 -14.725
1015 2HB ARG 128 HB1 ARG 128 -10.016 5.233 -13.734
1016 1HG ARG 128 HG2 ARG 128 -8.072 6.152 -14.415
1017 2HG ARG 128 HG1 ARG 128 -7.182 4.669 -14.064
1018 1HD ARG 128 HD2 ARG 128 -8.948 4.644 -16.464
1019 2HD ARG 128 HD1 ARG 128 -7.472 5.602 -16.569
1020 HE ARG 128 HE ARG 128 -6.599 3.184 -15.551
1021 1HH1 ARG 128 HH21 ARG 128 -9.188 3.099 -17.625
1022 2HH1 ARG 128 HH22 ARG 128 -8.377 2.275 -18.916
1023 1HH2 ARG 128 HH11 ARG 128 -5.231 2.580 -17.491
1024 2HH2 ARG 128 HH12 ARG 128 -6.139 1.981 -18.839
1025 H LEU 129 HN LEU 129 -7.505 2.078 -11.281
1026 HA LEU 129 HA LEU 129 -5.545 1.038 -12.820
1027 1HB LEU 129 HB2 LEU 129 -7.399 -0.612 -11.080
1028 2HB LEU 129 HB1 LEU 129 -5.768 -1.043 -11.554
1029 HG LEU 129 HG LEU 129 -5.600 1.552 -10.474
1030 1HD1 LEU 129 HD11 LEU 129 -7.274 -0.356 -8.813
1031 2HD1 LEU 129 HD13 LEU 129 -6.469 1.069 -8.154
1032 3HD1 LEU 129 HD12 LEU 129 -7.736 1.254 -9.366
1033 1HD2 LEU 129 HD23 LEU 129 -4.855 -1.189 -9.414
1034 2HD2 LEU 129 HD22 LEU 129 -3.829 -0.103 -10.352
1035 3HD2 LEU 129 HD21 LEU 129 -4.291 0.324 -8.704
No H/Q in entry = 1035
Start of MODEL 15
1 1H MET 1 HT2 MET 1 11.980 14.228 12.816
2 2H MET 1 HT1 MET 1 11.186 15.705 12.538
3 3H MET 1 HT3 MET 1 10.922 14.391 11.497
4 HA MET 1 HA MET 1 12.379 15.836 10.356
5 1HB MET 1 HB2 MET 1 13.268 16.381 13.031
6 2HB MET 1 HB1 MET 1 14.660 15.890 12.063
7 1HG MET 1 HG2 MET 1 12.909 17.681 10.580
8 2HG MET 1 HG1 MET 1 13.473 18.420 12.078
9 1HE MET 1 HE2 MET 1 14.014 17.045 8.774
10 2HE MET 1 HE1 MET 1 15.713 17.229 8.345
11 3HE MET 1 HE3 MET 1 15.195 15.877 9.363
12 H LYS 2 HN LYS 2 11.993 12.924 10.859
13 HA LYS 2 HA LYS 2 14.730 12.003 10.074
14 1HB LYS 2 HB2 LYS 2 13.469 11.197 12.318
15 2HB LYS 2 HB1 LYS 2 12.785 10.040 11.176
16 1HG LYS 2 HG2 LYS 2 15.707 10.470 10.949
17 2HG LYS 2 HG1 LYS 2 15.172 9.675 12.430
18 1HD LYS 2 HD2 LYS 2 13.696 8.504 10.315
19 2HD LYS 2 HD1 LYS 2 15.375 8.577 9.775
20 1HE LYS 2 HE2 LYS 2 14.861 7.672 12.573
21 2HE LYS 2 HE1 LYS 2 14.478 6.551 11.268
22 1HZ LYS 2 HZ2 LYS 2 16.729 6.868 10.409
23 2HZ LYS 2 HZ1 LYS 2 17.090 7.891 11.716
24 3HZ LYS 2 HZ3 LYS 2 16.746 6.254 11.992
25 H LYS 3 HN LYS 3 14.849 10.624 8.282
26 HA LYS 3 HA LYS 3 12.877 10.864 6.262
27 1HB LYS 3 HB2 LYS 3 15.396 9.495 6.605
28 2HB LYS 3 HB1 LYS 3 14.241 8.429 5.804
29 1HG LYS 3 HG2 LYS 3 15.241 9.640 4.032
30 2HG LYS 3 HG1 LYS 3 13.697 10.452 4.300
31 1HD LYS 3 HD2 LYS 3 15.005 11.985 5.920
32 2HD LYS 3 HD1 LYS 3 16.453 11.342 5.144
33 1HE LYS 3 HE2 LYS 3 14.149 12.650 3.670
34 2HE LYS 3 HE1 LYS 3 15.663 13.456 4.082
35 1HZ LYS 3 HZ1 LYS 3 16.701 11.419 2.892
36 2HZ LYS 3 HZ3 LYS 3 15.177 11.286 2.159
37 3HZ LYS 3 HZ2 LYS 3 16.087 12.708 1.972
38 H LEU 4 HN LEU 4 11.257 9.404 5.534
39 HA LEU 4 HA LEU 4 10.629 7.146 7.382
40 1HB LEU 4 HB2 LEU 4 8.518 8.994 6.247
41 2HB LEU 4 HB1 LEU 4 8.319 7.760 7.491
42 HG LEU 4 HG LEU 4 10.091 10.201 7.798
43 1HD1 LEU 4 HD11 LEU 4 7.250 9.989 7.898
44 2HD1 LEU 4 HD13 LEU 4 7.826 10.177 9.555
45 3HD1 LEU 4 HD12 LEU 4 8.249 11.376 8.331
46 1HD2 LEU 4 HD22 LEU 4 10.543 8.043 9.125
47 2HD2 LEU 4 HD21 LEU 4 10.316 9.513 10.071
48 3HD2 LEU 4 HD23 LEU 4 9.001 8.346 9.925
49 H GLN 5 HN GLN 5 11.710 6.036 5.473
50 HA GLN 5 HA GLN 5 10.079 5.922 3.018
51 1HB GLN 5 HB2 GLN 5 12.422 4.127 3.644
52 2HB GLN 5 HB1 GLN 5 11.848 4.678 2.071
53 1HG GLN 5 HG2 GLN 5 13.303 6.388 2.173
54 2HG GLN 5 HG1 GLN 5 12.432 7.007 3.577
55 1HE2 GLN 5 HE22 GLN 5 15.866 6.467 4.795
56 2HE2 GLN 5 HE21 GLN 5 15.053 7.546 3.767
57 H ILE 6 HN ILE 6 8.312 4.608 3.009
58 HA ILE 6 HA ILE 6 8.403 2.166 4.726
59 HB ILE 6 HB ILE 6 6.227 4.095 4.022
60 1HG1 ILE 6 HG12 ILE 6 5.624 3.429 6.433
61 2HG1 ILE 6 HG11 ILE 6 7.162 2.565 6.451
62 1HG2 ILE 6 HG21 ILE 6 5.782 1.149 4.595
63 2HG2 ILE 6 HG23 ILE 6 4.524 2.380 4.702
64 3HG2 ILE 6 HG22 ILE 6 5.283 2.030 3.150
65 1HD1 ILE 6 HD12 ILE 6 6.959 5.470 5.647
66 2HD1 ILE 6 HD11 ILE 6 7.215 4.971 7.319
67 3HD1 ILE 6 HD13 ILE 6 8.406 4.562 6.085
68 H ALA 7 HN ALA 7 7.930 0.194 3.809
69 HA ALA 7 HA ALA 7 7.708 0.143 0.837
70 1HB ALA 7 HB2 ALA 7 9.400 -1.244 2.582
71 2HB ALA 7 HB1 ALA 7 8.175 -2.429 2.128
72 3HB ALA 7 HB3 ALA 7 9.125 -1.621 0.881
73 H VAL 8 HN VAL 8 5.587 -0.013 0.242
74 HA VAL 8 HA VAL 8 3.899 -1.945 1.806
75 HB VAL 8 HB VAL 8 3.132 0.274 2.358
76 1HG1 VAL 8 HG13 VAL 8 4.260 1.292 0.278
77 2HG1 VAL 8 HG12 VAL 8 2.795 0.837 -0.593
78 3HG1 VAL 8 HG11 VAL 8 2.704 1.975 0.749
79 1HG2 VAL 8 HG22 VAL 8 1.494 -1.593 1.540
80 2HG2 VAL 8 HG21 VAL 8 0.891 0.050 1.733
81 3HG2 VAL 8 HG23 VAL 8 1.289 -0.555 0.131
82 H GLY 9 HN GLY 9 3.948 -3.646 0.349
83 1HA GLY 9 HA2 GLY 9 3.472 -3.095 -2.500
84 2HA GLY 9 HA1 GLY 9 3.704 -4.694 -1.787
85 H ILE 10 HN ILE 10 1.361 -2.781 -3.169
86 HA ILE 10 HA ILE 10 -0.811 -3.535 -1.362
87 HB ILE 10 HB ILE 10 -1.292 -2.585 -4.160
88 1HG1 ILE 10 HG12 ILE 10 -0.744 -0.560 -2.000
89 2HG1 ILE 10 HG11 ILE 10 0.605 -1.214 -2.916
90 1HG2 ILE 10 HG21 ILE 10 -2.572 -2.361 -1.458
91 2HG2 ILE 10 HG23 ILE 10 -2.986 -1.215 -2.733
92 3HG2 ILE 10 HG22 ILE 10 -3.268 -2.939 -2.973
93 1HD1 ILE 10 HD11 ILE 10 -1.584 -0.539 -4.688
94 2HD1 ILE 10 HD13 ILE 10 -1.090 0.857 -3.731
95 3HD1 ILE 10 HD12 ILE 10 0.091 0.009 -4.729
96 H ILE 11 HN ILE 11 -2.765 -4.735 -2.549
97 HA ILE 11 HA ILE 11 -1.658 -6.739 -4.438
98 HB ILE 11 HB ILE 11 -3.231 -7.925 -2.215
99 1HG1 ILE 11 HG12 ILE 11 -0.437 -6.786 -1.892
100 2HG1 ILE 11 HG11 ILE 11 -1.849 -6.465 -0.895
101 1HG2 ILE 11 HG23 ILE 11 -2.015 -9.017 -4.278
102 2HG2 ILE 11 HG22 ILE 11 -0.569 -8.833 -3.284
103 3HG2 ILE 11 HG21 ILE 11 -1.921 -9.806 -2.703
104 1HD1 ILE 11 HD11 ILE 11 -1.033 -9.318 -1.079
105 2HD1 ILE 11 HD13 ILE 11 0.082 -8.256 -0.222
106 3HD1 ILE 11 HD12 ILE 11 -1.589 -8.394 0.316
107 H ARG 12 HN ARG 12 -3.263 -7.916 -5.594
108 HA ARG 12 HA ARG 12 -6.105 -7.267 -5.254
109 1HB ARG 12 HB2 ARG 12 -5.115 -5.288 -6.466
110 2HB ARG 12 HB1 ARG 12 -4.674 -6.382 -7.776
111 1HG ARG 12 HG2 ARG 12 -7.125 -7.066 -7.871
112 2HG ARG 12 HG1 ARG 12 -7.454 -5.707 -6.795
113 1HD ARG 12 HD2 ARG 12 -7.784 -4.965 -9.082
114 2HD ARG 12 HD1 ARG 12 -6.329 -4.195 -8.448
115 HE ARG 12 HE ARG 12 -5.384 -6.496 -9.677
116 1HH1 ARG 12 HH11 ARG 12 -7.074 -6.804 -11.792
117 2HH1 ARG 12 HH12 ARG 12 -6.737 -5.535 -12.921
118 1HH2 ARG 12 HH21 ARG 12 -5.060 -3.563 -10.614
119 2HH2 ARG 12 HH22 ARG 12 -5.598 -3.701 -12.255
120 H ASN 13 HN ASN 13 -7.273 -9.013 -5.996
121 HA ASN 13 HA ASN 13 -5.784 -11.113 -7.465
122 1HB ASN 13 HB2 ASN 13 -7.962 -11.069 -5.544
123 2HB ASN 13 HB1 ASN 13 -8.360 -12.062 -6.936
124 1HD2 ASN 13 HD22 ASN 13 -5.316 -14.117 -6.359
125 2HD2 ASN 13 HD21 ASN 13 -5.941 -13.201 -7.644
126 H GLU 14 HN GLU 14 -7.935 -12.420 -8.668
127 HA GLU 14 HA GLU 14 -8.323 -10.712 -11.033
128 1HB GLU 14 HB2 GLU 14 -8.525 -13.592 -10.399
129 2HB GLU 14 HB1 GLU 14 -9.660 -13.006 -11.614
130 1HG GLU 14 HG2 GLU 14 -7.963 -12.358 -13.081
131 2HG GLU 14 HG1 GLU 14 -6.764 -12.226 -11.794
132 H ASN 15 HN ASN 15 -9.994 -11.282 -8.182
133 HA ASN 15 HA ASN 15 -12.684 -11.077 -9.361
134 1HB ASN 15 HB2 ASN 15 -11.990 -12.288 -7.136
135 2HB ASN 15 HB1 ASN 15 -12.101 -10.672 -6.438
136 1HD2 ASN 15 HD22 ASN 15 -15.636 -10.571 -6.561
137 2HD2 ASN 15 HD21 ASN 15 -14.207 -9.725 -6.208
138 H ASN 16 HN ASN 16 -10.349 -8.968 -9.354
139 HA ASN 16 HA ASN 16 -10.198 -6.658 -9.417
140 1HB ASN 16 HB2 ASN 16 -12.157 -6.891 -10.863
141 2HB ASN 16 HB1 ASN 16 -13.202 -6.945 -9.448
142 1HD2 ASN 16 HD22 ASN 16 -11.319 -3.348 -10.156
143 2HD2 ASN 16 HD21 ASN 16 -10.457 -4.792 -10.382
144 H GLU 17 HN GLU 17 -9.954 -7.795 -6.867
145 HA GLU 17 HA GLU 17 -11.184 -5.645 -5.192
146 1HB GLU 17 HB2 GLU 17 -10.518 -8.013 -3.645
147 2HB GLU 17 HB1 GLU 17 -12.047 -7.145 -3.737
148 1HG GLU 17 HG2 GLU 17 -12.574 -8.346 -5.851
149 2HG GLU 17 HG1 GLU 17 -11.071 -9.255 -5.686
150 H ILE 18 HN ILE 18 -9.772 -4.947 -3.406
151 HA ILE 18 HA ILE 18 -6.922 -5.726 -3.888
152 HB ILE 18 HB ILE 18 -7.563 -3.089 -2.656
153 1HG1 ILE 18 HG12 ILE 18 -7.680 -3.518 -5.652
154 2HG1 ILE 18 HG11 ILE 18 -9.124 -3.392 -4.647
155 1HG2 ILE 18 HG23 ILE 18 -5.238 -3.959 -3.024
156 2HG2 ILE 18 HG22 ILE 18 -5.554 -3.937 -4.759
157 3HG2 ILE 18 HG21 ILE 18 -5.553 -2.430 -3.843
158 1HD1 ILE 18 HD13 ILE 18 -7.023 -1.277 -4.384
159 2HD1 ILE 18 HD12 ILE 18 -8.079 -1.238 -5.795
160 3HD1 ILE 18 HD11 ILE 18 -8.770 -1.152 -4.175
161 H PHE 19 HN PHE 19 -5.538 -5.679 -2.026
162 HA PHE 19 HA PHE 19 -6.987 -6.273 0.506
163 1HB PHE 19 HB2 PHE 19 -5.600 -8.118 -0.061
164 2HB PHE 19 HB1 PHE 19 -4.289 -7.072 -0.601
165 HD1 PHE 19 HD2 PHE 19 -6.185 -8.168 2.418
166 HD2 PHE 19 HD1 PHE 19 -2.617 -6.326 0.898
167 HE1 PHE 19 HE2 PHE 19 -5.179 -8.249 4.683
168 HE2 PHE 19 HE1 PHE 19 -1.609 -6.408 3.161
169 HZ PHE 19 HZ PHE 19 -2.885 -7.371 5.054
170 H ILE 20 HN ILE 20 -7.257 -4.016 1.027
171 HA ILE 20 HA ILE 20 -4.933 -2.280 1.160
172 HB ILE 20 HB ILE 20 -7.830 -2.029 1.540
173 1HG1 ILE 20 HG12 ILE 20 -6.709 -1.198 -0.436
174 2HG1 ILE 20 HG11 ILE 20 -7.340 0.177 0.474
175 1HG2 ILE 20 HG23 ILE 20 -6.912 -1.320 3.816
176 2HG2 ILE 20 HG22 ILE 20 -6.164 0.025 2.952
177 3HG2 ILE 20 HG21 ILE 20 -7.915 -0.155 2.955
178 1HD1 ILE 20 HD11 ILE 20 -4.760 -0.453 1.510
179 2HD1 ILE 20 HD13 ILE 20 -4.631 -0.356 -0.245
180 3HD1 ILE 20 HD12 ILE 20 -5.266 1.012 0.669
181 H THR 21 HN THR 21 -4.727 -1.017 3.304
182 HA THR 21 HA THR 21 -4.955 -2.686 5.714
183 HB THR 21 HB THR 21 -2.248 -1.711 5.540
184 HG1 THR 21 HG1 THR 21 -2.717 -3.789 3.737
185 1HG2 THR 21 HG21 THR 21 -3.488 -4.458 5.812
186 2HG2 THR 21 HG23 THR 21 -1.772 -4.117 6.040
187 3HG2 THR 21 HG22 THR 21 -2.965 -3.403 7.126
188 H ARG 22 HN ARG 22 -4.912 -1.376 7.586
189 HA ARG 22 HA ARG 22 -4.091 1.428 7.334
190 1HB ARG 22 HB2 ARG 22 -6.339 1.467 6.459
191 2HB ARG 22 HB1 ARG 22 -6.934 0.523 7.821
192 1HG ARG 22 HG2 ARG 22 -7.461 2.816 8.261
193 2HG ARG 22 HG1 ARG 22 -6.147 2.353 9.337
194 1HD ARG 22 HD2 ARG 22 -5.087 3.315 6.823
195 2HD ARG 22 HD1 ARG 22 -6.167 4.517 7.527
196 HE ARG 22 HE ARG 22 -4.575 3.728 9.654
197 1HH1 ARG 22 HH11 ARG 22 -2.311 3.146 7.968
198 2HH1 ARG 22 HH12 ARG 22 -1.583 4.692 7.679
199 1HH2 ARG 22 HH21 ARG 22 -4.394 6.488 8.630
200 2HH2 ARG 22 HH22 ARG 22 -2.763 6.584 8.056
201 H ARG 23 HN ARG 23 -2.765 1.410 9.149
202 HA ARG 23 HA ARG 23 -3.188 -0.141 11.482
203 1HB ARG 23 HB2 ARG 23 -1.660 1.669 12.496
204 2HB ARG 23 HB1 ARG 23 -1.011 0.728 11.163
205 1HG ARG 23 HG2 ARG 23 -0.895 2.542 9.813
206 2HG ARG 23 HG1 ARG 23 -2.499 3.100 10.289
207 1HD ARG 23 HD2 ARG 23 -1.045 4.780 11.105
208 2HD ARG 23 HD1 ARG 23 -1.389 3.786 12.520
209 HE ARG 23 HE ARG 23 0.903 2.651 11.436
210 1HH1 ARG 23 HH21 ARG 23 -0.136 5.478 13.053
211 2HH1 ARG 23 HH22 ARG 23 1.459 6.122 13.261
212 1HH2 ARG 23 HH11 ARG 23 3.002 3.605 11.445
213 2HH2 ARG 23 HH12 ARG 23 3.234 5.063 12.352
214 H ALA 24 HN ALA 24 -5.215 0.060 12.418
215 HA ALA 24 HA ALA 24 -6.970 2.143 12.616
216 1HB ALA 24 HB2 ALA 24 -6.147 0.355 14.924
217 2HB ALA 24 HB1 ALA 24 -7.633 1.301 14.856
218 3HB ALA 24 HB3 ALA 24 -7.373 -0.016 13.712
219 H ALA 25 HN ALA 25 -6.446 4.265 12.916
220 HA ALA 25 HA ALA 25 -4.766 4.929 15.299
221 1HB ALA 25 HB2 ALA 25 -4.753 6.142 12.530
222 2HB ALA 25 HB1 ALA 25 -4.069 6.976 13.925
223 3HB ALA 25 HB3 ALA 25 -3.400 5.428 13.408
224 H ASP 26 HN ASP 26 -7.653 4.734 15.206
225 HA ASP 26 HA ASP 26 -9.444 5.986 16.082
226 1HB ASP 26 HB2 ASP 26 -7.705 8.439 16.123
227 2HB ASP 26 HB1 ASP 26 -8.980 7.964 17.246
228 H ALA 27 HN ALA 27 -8.056 6.336 13.159
229 HA ALA 27 HA ALA 27 -8.599 7.524 11.195
230 1HB ALA 27 HB2 ALA 27 -10.816 6.215 12.197
231 2HB ALA 27 HB1 ALA 27 -11.415 7.857 11.963
232 3HB ALA 27 HB3 ALA 27 -10.719 6.971 10.606
233 H HIS 28 HN HIS 28 -10.665 9.453 10.785
234 HA HIS 28 HA HIS 28 -10.620 11.562 12.724
235 1HB HIS 28 HB2 HIS 28 -8.181 11.304 11.429
236 2HB HIS 28 HB1 HIS 28 -8.997 12.563 10.501
237 HD1 HIS 28 HD1 HIS 28 -8.421 11.731 14.192
238 HD2 HIS 28 HD2 HIS 28 -8.743 15.038 11.675
239 HE1 HIS 28 HE1 HIS 28 -7.992 13.771 15.630
240 H MET 29 HN MET 29 -12.665 10.515 11.231
241 HA MET 29 HA MET 29 -14.029 12.673 10.166
242 1HB MET 29 HB2 MET 29 -11.941 11.722 8.340
243 2HB MET 29 HB1 MET 29 -13.543 11.734 7.601
244 1HG MET 29 HG2 MET 29 -13.084 14.133 9.185
245 2HG MET 29 HG1 MET 29 -11.859 13.941 7.931
246 1HE MET 29 HE3 MET 29 -11.971 13.751 5.884
247 2HE MET 29 HE2 MET 29 -13.351 13.402 4.845
248 3HE MET 29 HE1 MET 29 -12.852 15.072 5.105
249 H ALA 30 HN ALA 30 -13.604 9.900 8.041
250 HA ALA 30 HA ALA 30 -16.032 8.636 9.218
251 1HB ALA 30 HB1 ALA 30 -15.778 9.890 6.585
252 2HB ALA 30 HB3 ALA 30 -16.298 8.208 6.484
253 3HB ALA 30 HB2 ALA 30 -17.229 9.363 7.438
254 H ASN 31 HN ASN 31 -14.509 7.763 6.170
255 HA ASN 31 HA ASN 31 -13.611 5.223 7.456
256 1HB ASN 31 HB2 ASN 31 -13.988 5.841 4.508
257 2HB ASN 31 HB1 ASN 31 -13.651 4.259 5.214
258 1HD2 ASN 31 HD22 ASN 31 -16.992 3.768 6.379
259 2HD2 ASN 31 HD21 ASN 31 -15.378 3.283 6.581
260 H LYS 32 HN LYS 32 -11.476 5.276 7.975
261 HA LYS 32 HA LYS 32 -9.651 6.784 6.147
262 1HB LYS 32 HB2 LYS 32 -9.442 6.197 9.112
263 2HB LYS 32 HB1 LYS 32 -8.126 6.883 8.159
264 1HG LYS 32 HG2 LYS 32 -10.845 8.092 8.700
265 2HG LYS 32 HG1 LYS 32 -9.265 8.744 9.140
266 1HD LYS 32 HD2 LYS 32 -8.912 8.551 6.479
267 2HD LYS 32 HD1 LYS 32 -10.662 8.770 6.509
268 1HE LYS 32 HE2 LYS 32 -10.153 10.986 6.613
269 2HE LYS 32 HE1 LYS 32 -9.865 10.656 8.320
270 1HZ LYS 32 HZ1 LYS 32 -7.530 10.124 7.692
271 2HZ LYS 32 HZ3 LYS 32 -7.863 10.705 6.135
272 3HZ LYS 32 HZ2 LYS 32 -7.961 11.752 7.471
273 H LEU 33 HN LEU 33 -8.140 5.604 5.095
274 HA LEU 33 HA LEU 33 -7.195 3.049 6.225
275 1HB LEU 33 HB2 LEU 33 -7.481 1.984 3.952
276 2HB LEU 33 HB1 LEU 33 -8.948 2.238 4.889
277 HG LEU 33 HG LEU 33 -8.331 4.575 3.313
278 1HD1 LEU 33 HD12 LEU 33 -7.282 2.828 1.847
279 2HD1 LEU 33 HD11 LEU 33 -8.837 1.998 1.795
280 3HD1 LEU 33 HD13 LEU 33 -8.676 3.612 1.103
281 1HD2 LEU 33 HD23 LEU 33 -10.552 2.782 4.035
282 2HD2 LEU 33 HD22 LEU 33 -10.534 4.538 3.868
283 3HD2 LEU 33 HD21 LEU 33 -10.708 3.517 2.440
284 H GLU 34 HN GLU 34 -5.603 2.139 4.378
285 HA GLU 34 HA GLU 34 -4.143 4.211 2.973
286 1HB GLU 34 HB2 GLU 34 -3.497 4.138 5.594
287 2HB GLU 34 HB1 GLU 34 -2.430 2.874 4.996
288 1HG GLU 34 HG2 GLU 34 -1.918 4.681 3.113
289 2HG GLU 34 HG1 GLU 34 -2.438 5.798 4.376
290 H PHE 35 HN PHE 35 -1.679 2.742 3.083
291 HA PHE 35 HA PHE 35 -2.568 0.257 1.684
292 1HB PHE 35 HB2 PHE 35 -0.155 2.033 1.195
293 2HB PHE 35 HB1 PHE 35 -0.385 0.457 0.432
294 HD1 PHE 35 HD1 PHE 35 -2.512 0.051 -0.919
295 HD2 PHE 35 HD2 PHE 35 -1.248 3.960 0.339
296 HE1 PHE 35 HE1 PHE 35 -4.006 1.077 -2.610
297 HE2 PHE 35 HE2 PHE 35 -2.740 4.985 -1.356
298 HZ PHE 35 HZ PHE 35 -4.121 3.545 -2.829
299 HA PRO 36 HA PRO 36 -0.476 -2.188 4.599
300 1HB PRO 36 HB2 PRO 36 1.077 -3.719 2.720
301 2HB PRO 36 HB1 PRO 36 -0.425 -4.181 3.531
302 1HG PRO 36 HG2 PRO 36 -0.067 -3.452 0.757
303 2HG PRO 36 HG1 PRO 36 -1.555 -3.957 1.566
304 1HD PRO 36 HD2 PRO 36 -0.874 -1.321 0.661
305 2HD PRO 36 HD1 PRO 36 -2.331 -1.818 1.544
306 H GLY 37 HN GLY 37 2.167 -3.338 4.243
307 1HA GLY 37 HA2 GLY 37 4.462 -2.738 4.223
308 2HA GLY 37 HA1 GLY 37 4.003 -1.122 3.686
309 H GLY 38 HN GLY 38 5.722 -0.658 5.429
310 1HA GLY 38 HA2 GLY 38 4.490 0.509 7.704
311 2HA GLY 38 HA1 GLY 38 5.165 -1.046 8.200
312 H LYS 39 HN LYS 39 7.400 -1.033 6.415
313 HA LYS 39 HA LYS 39 8.951 1.382 6.724
314 1HB LYS 39 HB2 LYS 39 8.801 -0.013 9.064
315 2HB LYS 39 HB1 LYS 39 10.213 -0.768 8.321
316 1HG LYS 39 HG2 LYS 39 11.452 1.175 8.361
317 2HG LYS 39 HG1 LYS 39 10.030 2.210 8.231
318 1HD LYS 39 HD2 LYS 39 9.417 1.648 10.562
319 2HD LYS 39 HD1 LYS 39 10.865 0.649 10.693
320 1HE LYS 39 HE2 LYS 39 11.674 3.187 9.685
321 2HE LYS 39 HE1 LYS 39 10.623 3.480 11.071
322 1HZ LYS 39 HZ1 LYS 39 12.536 1.339 11.420
323 2HZ LYS 39 HZ3 LYS 39 13.226 2.879 11.248
324 3HZ LYS 39 HZ2 LYS 39 12.096 2.590 12.482
325 H ILE 40 HN ILE 40 10.829 1.249 5.452
326 HA ILE 40 HA ILE 40 11.085 -1.275 3.898
327 HB ILE 40 HB ILE 40 10.752 0.963 2.743
328 1HG1 ILE 40 HG12 ILE 40 13.397 -0.279 1.996
329 2HG1 ILE 40 HG11 ILE 40 11.891 -1.179 1.808
330 1HG2 ILE 40 HG23 ILE 40 12.365 2.118 4.378
331 2HG2 ILE 40 HG22 ILE 40 13.663 1.399 3.428
332 3HG2 ILE 40 HG21 ILE 40 12.541 2.529 2.673
333 1HD1 ILE 40 HD13 ILE 40 10.975 0.681 0.438
334 2HD1 ILE 40 HD12 ILE 40 12.520 1.521 0.578
335 3HD1 ILE 40 HD11 ILE 40 12.428 -0.016 -0.282
336 H GLU 41 HN GLU 41 12.639 -2.641 4.620
337 HA GLU 41 HA GLU 41 15.005 -1.502 6.028
338 1HB GLU 41 HB2 GLU 41 14.469 -4.446 5.833
339 2HB GLU 41 HB1 GLU 41 15.213 -3.532 7.145
340 1HG GLU 41 HG2 GLU 41 13.091 -2.648 7.842
341 2HG GLU 41 HG1 GLU 41 12.293 -3.262 6.393
342 H MET 42 HN MET 42 16.980 -3.233 5.593
343 HA MET 42 HA MET 42 18.660 -3.698 4.010
344 1HB MET 42 HB2 MET 42 16.158 -4.985 3.147
345 2HB MET 42 HB1 MET 42 17.317 -4.741 1.839
346 1HG MET 42 HG2 MET 42 17.912 -6.845 2.734
347 2HG MET 42 HG1 MET 42 19.063 -5.732 3.475
348 1HE MET 42 HE1 MET 42 19.788 -6.161 5.354
349 2HE MET 42 HE3 MET 42 19.010 -6.669 6.858
350 3HE MET 42 HE2 MET 42 19.345 -7.848 5.592
351 H GLY 43 HN GLY 43 19.037 -3.432 1.410
352 1HA GLY 43 HA2 GLY 43 19.128 -0.675 0.870
353 2HA GLY 43 HA1 GLY 43 19.189 -1.915 -0.384
354 H GLU 44 HN GLU 44 17.760 0.720 -0.356
355 HA GLU 44 HA GLU 44 14.922 -0.110 -0.321
356 1HB GLU 44 HB2 GLU 44 16.349 2.521 -0.636
357 2HB GLU 44 HB1 GLU 44 14.649 2.362 -1.081
358 1HG GLU 44 HG2 GLU 44 14.610 3.060 1.189
359 2HG GLU 44 HG1 GLU 44 14.307 1.323 1.245
360 H THR 45 HN THR 45 13.997 -0.901 -2.118
361 HA THR 45 HA THR 45 14.545 0.257 -4.736
362 HB THR 45 HB THR 45 14.899 -2.547 -5.136
363 HG1 THR 45 HG1 THR 45 15.638 -2.387 -2.911
364 1HG2 THR 45 HG23 THR 45 15.898 -0.068 -6.021
365 2HG2 THR 45 HG22 THR 45 17.299 -0.963 -5.429
366 3HG2 THR 45 HG21 THR 45 16.269 -1.662 -6.679
367 HA PRO 46 HA PRO 46 10.575 -1.273 -5.733
368 1HB PRO 46 HB2 PRO 46 11.079 -2.580 -8.193
369 2HB PRO 46 HB1 PRO 46 10.686 -0.869 -7.969
370 1HG PRO 46 HG2 PRO 46 13.229 -2.026 -8.757
371 2HG PRO 46 HG1 PRO 46 12.808 -0.317 -8.614
372 1HD PRO 46 HD2 PRO 46 14.415 -1.917 -6.823
373 2HD PRO 46 HD1 PRO 46 14.078 -0.175 -6.740
374 H GLU 47 HN GLU 47 13.128 -3.650 -5.691
375 HA GLU 47 HA GLU 47 11.071 -5.784 -5.274
376 1HB GLU 47 HB2 GLU 47 13.230 -5.637 -7.158
377 2HB GLU 47 HB1 GLU 47 13.552 -6.945 -6.024
378 1HG GLU 47 HG2 GLU 47 12.237 -7.840 -7.857
379 2HG GLU 47 HG1 GLU 47 11.216 -7.782 -6.418
380 H GLN 48 HN GLN 48 14.527 -5.181 -4.666
381 HA GLN 48 HA GLN 48 15.050 -6.897 -2.635
382 1HB GLN 48 HB2 GLN 48 16.277 -4.670 -3.746
383 2HB GLN 48 HB1 GLN 48 16.106 -4.258 -2.035
384 1HG GLN 48 HG2 GLN 48 17.361 -6.040 -1.335
385 2HG GLN 48 HG1 GLN 48 17.018 -6.981 -2.785
386 1HE2 GLN 48 HE22 GLN 48 19.392 -4.810 -4.701
387 2HE2 GLN 48 HE21 GLN 48 17.733 -5.149 -4.803
388 H ALA 49 HN ALA 49 13.300 -3.961 -2.485
389 HA ALA 49 HA ALA 49 13.157 -4.004 0.399
390 1HB ALA 49 HB1 ALA 49 11.866 -2.264 -1.689
391 2HB ALA 49 HB3 ALA 49 11.450 -2.119 0.018
392 3HB ALA 49 HB2 ALA 49 13.105 -1.824 -0.514
393 H VAL 50 HN VAL 50 10.659 -4.288 -2.126
394 HA VAL 50 HA VAL 50 8.713 -5.325 -0.202
395 HB VAL 50 HB VAL 50 8.387 -3.864 -2.336
396 1HG1 VAL 50 HG12 VAL 50 9.425 -5.505 -3.881
397 2HG1 VAL 50 HG11 VAL 50 8.147 -6.655 -3.487
398 3HG1 VAL 50 HG13 VAL 50 7.754 -5.154 -4.325
399 1HG2 VAL 50 HG21 VAL 50 6.700 -5.816 -0.981
400 2HG2 VAL 50 HG23 VAL 50 6.343 -4.151 -1.445
401 3HG2 VAL 50 HG22 VAL 50 6.148 -5.455 -2.618
402 H VAL 51 HN VAL 51 11.293 -6.749 -1.487
403 HA VAL 51 HA VAL 51 10.101 -9.288 -2.363
404 HB VAL 51 HB VAL 51 12.267 -8.373 -3.303
405 1HG1 VAL 51 HG12 VAL 51 12.997 -7.478 -1.062
406 2HG1 VAL 51 HG11 VAL 51 13.372 -9.132 -0.591
407 3HG1 VAL 51 HG13 VAL 51 14.240 -8.376 -1.926
408 1HG2 VAL 51 HG23 VAL 51 11.708 -10.802 -3.310
409 2HG2 VAL 51 HG22 VAL 51 13.441 -10.476 -3.264
410 3HG2 VAL 51 HG21 VAL 51 12.595 -10.964 -1.794
411 H ARG 52 HN ARG 52 11.725 -7.774 0.273
412 HA ARG 52 HA ARG 52 11.818 -10.063 2.032
413 1HB ARG 52 HB2 ARG 52 12.596 -7.247 2.022
414 2HB ARG 52 HB1 ARG 52 11.933 -7.744 3.570
415 1HG ARG 52 HG2 ARG 52 14.161 -9.156 2.080
416 2HG ARG 52 HG1 ARG 52 14.383 -8.104 3.477
417 1HD ARG 52 HD2 ARG 52 13.454 -9.641 4.953
418 2HD ARG 52 HD1 ARG 52 12.496 -10.424 3.698
419 HE ARG 52 HE ARG 52 15.119 -10.948 2.962
420 1HH1 ARG 52 HH11 ARG 52 14.653 -10.718 6.194
421 2HH1 ARG 52 HH12 ARG 52 14.854 -12.399 6.561
422 1HH2 ARG 52 HH21 ARG 52 14.753 -13.410 3.246
423 2HH2 ARG 52 HH22 ARG 52 14.911 -13.923 4.892
424 H GLU 53 HN GLU 53 9.550 -7.424 1.351
425 HA GLU 53 HA GLU 53 7.921 -7.887 3.719
426 1HB GLU 53 HB2 GLU 53 7.452 -6.454 1.099
427 2HB GLU 53 HB1 GLU 53 6.185 -6.604 2.319
428 1HG GLU 53 HG2 GLU 53 8.761 -5.740 3.430
429 2HG GLU 53 HG1 GLU 53 8.097 -4.608 2.252
430 H LEU 54 HN LEU 54 8.470 -9.692 0.972
431 HA LEU 54 HA LEU 54 5.807 -10.761 0.540
432 1HB LEU 54 HB2 LEU 54 8.217 -10.812 -0.845
433 2HB LEU 54 HB1 LEU 54 8.055 -12.466 -0.259
434 HG LEU 54 HG LEU 54 6.974 -12.357 -2.407
435 1HD1 LEU 54 HD13 LEU 54 5.029 -12.330 -0.088
436 2HD1 LEU 54 HD12 LEU 54 4.550 -12.754 -1.732
437 3HD1 LEU 54 HD11 LEU 54 5.747 -13.733 -0.882
438 1HD2 LEU 54 HD22 LEU 54 5.924 -9.804 -1.284
439 2HD2 LEU 54 HD21 LEU 54 6.495 -10.158 -2.912
440 3HD2 LEU 54 HD23 LEU 54 4.886 -10.677 -2.412
441 H GLN 55 HN GLN 55 8.780 -12.424 1.603
442 HA GLN 55 HA GLN 55 7.168 -14.445 2.988
443 1HB GLN 55 HB2 GLN 55 10.118 -14.036 2.537
444 2HB GLN 55 HB1 GLN 55 9.536 -15.267 3.658
445 1HG GLN 55 HG2 GLN 55 7.966 -15.509 1.310
446 2HG GLN 55 HG1 GLN 55 9.644 -15.365 0.783
447 1HE2 GLN 55 HE22 GLN 55 9.677 -18.891 1.383
448 2HE2 GLN 55 HE21 GLN 55 9.531 -17.706 0.177
449 H GLU 56 HN GLU 56 8.670 -11.469 3.906
450 HA GLU 56 HA GLU 56 9.033 -12.232 6.708
451 1HB GLU 56 HB2 GLU 56 9.012 -9.500 5.397
452 2HB GLU 56 HB1 GLU 56 9.492 -9.825 7.061
453 1HG GLU 56 HG2 GLU 56 10.854 -11.541 5.105
454 2HG GLU 56 HG1 GLU 56 11.201 -9.824 4.896
455 H GLU 57 HN GLU 57 6.244 -12.249 5.261
456 HA GLU 57 HA GLU 57 4.856 -11.036 7.574
457 1HB GLU 57 HB2 GLU 57 4.808 -10.042 4.793
458 2HB GLU 57 HB1 GLU 57 3.220 -10.237 5.539
459 1HG GLU 57 HG2 GLU 57 5.549 -8.654 6.656
460 2HG GLU 57 HG1 GLU 57 4.043 -7.993 6.017
461 H VAL 58 HN VAL 58 3.943 -12.409 4.389
462 HA VAL 58 HA VAL 58 2.335 -14.461 5.876
463 HB VAL 58 HB VAL 58 0.595 -14.276 4.219
464 1HG1 VAL 58 HG13 VAL 58 1.665 -11.638 5.173
465 2HG1 VAL 58 HG12 VAL 58 0.256 -11.700 4.119
466 3HG1 VAL 58 HG11 VAL 58 0.212 -12.497 5.687
467 1HG2 VAL 58 HG21 VAL 58 2.750 -12.900 2.707
468 2HG2 VAL 58 HG23 VAL 58 1.597 -14.111 2.156
469 3HG2 VAL 58 HG22 VAL 58 1.083 -12.436 2.377
470 H GLY 59 HN GLY 59 4.319 -13.665 3.106
471 1HA GLY 59 HA2 GLY 59 5.679 -14.994 1.773
472 2HA GLY 59 HA1 GLY 59 5.321 -16.347 2.850
473 H ILE 60 HN ILE 60 3.729 -14.348 0.361
474 HA ILE 60 HA ILE 60 2.074 -16.700 -0.416
475 HB ILE 60 HB ILE 60 1.406 -14.700 -2.193
476 1HG1 ILE 60 HG12 ILE 60 1.821 -13.346 0.469
477 2HG1 ILE 60 HG11 ILE 60 2.942 -13.167 -0.877
478 1HG2 ILE 60 HG21 ILE 60 0.258 -15.272 0.551
479 2HG2 ILE 60 HG23 ILE 60 -0.554 -14.303 -0.678
480 3HG2 ILE 60 HG22 ILE 60 -0.223 -16.008 -0.978
481 1HD1 ILE 60 HD12 ILE 60 -0.018 -12.538 -1.016
482 2HD1 ILE 60 HD11 ILE 60 1.245 -11.333 -0.762
483 3HD1 ILE 60 HD13 ILE 60 1.183 -12.240 -2.273
484 H THR 61 HN THR 61 1.889 -16.942 -2.913
485 HA THR 61 HA THR 61 4.623 -16.653 -4.076
486 HB THR 61 HB THR 61 2.597 -18.611 -5.124
487 HG1 THR 61 HG1 THR 61 3.973 -18.698 -2.732
488 1HG2 THR 61 HG22 THR 61 5.584 -18.247 -5.166
489 2HG2 THR 61 HG21 THR 61 4.842 -19.790 -5.591
490 3HG2 THR 61 HG23 THR 61 4.469 -18.343 -6.528
491 HA PRO 62 HA PRO 62 1.912 -13.704 -6.202
492 1HB PRO 62 HB2 PRO 62 4.249 -12.401 -7.175
493 2HB PRO 62 HB1 PRO 62 3.181 -11.887 -5.859
494 1HG PRO 62 HG2 PRO 62 5.867 -13.027 -5.667
495 2HG PRO 62 HG1 PRO 62 4.882 -12.299 -4.397
496 1HD PRO 62 HD2 PRO 62 5.440 -15.058 -4.727
497 2HD PRO 62 HD1 PRO 62 4.286 -14.330 -3.590
498 H GLN 63 HN GLN 63 1.188 -14.048 -8.236
499 HA GLN 63 HA GLN 63 2.778 -15.795 -10.004
500 1HB GLN 63 HB2 GLN 63 0.040 -14.771 -10.680
501 2HB GLN 63 HB1 GLN 63 0.766 -16.337 -11.043
502 1HG GLN 63 HG2 GLN 63 0.801 -16.295 -8.275
503 2HG GLN 63 HG1 GLN 63 -0.720 -15.481 -8.649
504 1HE2 GLN 63 HE22 GLN 63 -0.640 -19.435 -8.912
505 2HE2 GLN 63 HE21 GLN 63 0.443 -18.497 -8.002
506 H HIS 64 HN HIS 64 0.943 -12.712 -10.374
507 HA HIS 64 HA HIS 64 3.084 -11.833 -12.250
508 1HB HIS 64 HB2 HIS 64 1.326 -12.805 -13.666
509 2HB HIS 64 HB1 HIS 64 0.119 -11.778 -12.889
510 HD1 HIS 64 HD1 HIS 64 -0.451 -10.305 -14.901
511 HD2 HIS 64 HD2 HIS 64 3.633 -10.388 -14.067
512 HE1 HIS 64 HE1 HIS 64 0.609 -8.502 -16.329
513 H PHE 65 HN PHE 65 3.784 -9.959 -11.310
514 HA PHE 65 HA PHE 65 1.690 -7.984 -10.539
515 1HB PHE 65 HB2 PHE 65 3.156 -7.287 -8.618
516 2HB PHE 65 HB1 PHE 65 2.422 -8.870 -8.432
517 HD1 PHE 65 HD1 PHE 65 5.508 -7.291 -9.855
518 HD2 PHE 65 HD2 PHE 65 3.802 -10.664 -7.812
519 HE1 PHE 65 HE1 PHE 65 7.767 -8.281 -9.605
520 HE2 PHE 65 HE2 PHE 65 6.062 -11.655 -7.565
521 HZ PHE 65 HZ PHE 65 8.045 -10.459 -8.457
522 H SER 66 HN SER 66 2.825 -5.820 -10.084
523 HA SER 66 HA SER 66 5.278 -5.269 -11.566
524 1HB SER 66 HB2 SER 66 2.583 -4.512 -12.706
525 2HB SER 66 HB1 SER 66 4.046 -3.620 -13.114
526 HG SER 66 HG SER 66 4.461 -5.165 -14.461
527 H LEU 67 HN LEU 67 5.363 -2.642 -11.761
528 HA LEU 67 HA LEU 67 4.472 -1.669 -9.078
529 1HB LEU 67 HB2 LEU 67 6.863 -1.468 -9.296
530 2HB LEU 67 HB1 LEU 67 6.713 -0.740 -10.897
531 HG LEU 67 HG LEU 67 5.470 1.183 -9.851
532 1HD1 LEU 67 HD13 LEU 67 5.951 -0.505 -7.433
533 2HD1 LEU 67 HD12 LEU 67 6.059 1.245 -7.245
534 3HD1 LEU 67 HD11 LEU 67 4.573 0.513 -7.845
535 1HD2 LEU 67 HD23 LEU 67 8.243 0.606 -9.810
536 2HD2 LEU 67 HD22 LEU 67 7.486 2.198 -9.744
537 3HD2 LEU 67 HD21 LEU 67 7.880 1.345 -8.251
538 H PHE 68 HN PHE 68 2.536 -0.633 -9.334
539 HA PHE 68 HA PHE 68 1.452 0.487 -11.646
540 1HB PHE 68 HB2 PHE 68 -0.023 0.459 -9.830
541 2HB PHE 68 HB1 PHE 68 1.173 1.096 -8.714
542 HD1 PHE 68 HD2 PHE 68 -0.421 2.168 -11.946
543 HD2 PHE 68 HD1 PHE 68 0.776 3.248 -7.965
544 HE1 PHE 68 HE2 PHE 68 -1.288 4.464 -12.305
545 HE2 PHE 68 HE1 PHE 68 -0.087 5.541 -8.331
546 HZ PHE 68 HZ PHE 68 -1.113 6.142 -10.490
547 H GLU 69 HN GLU 69 2.486 2.710 -9.145
548 HA GLU 69 HA GLU 69 4.385 4.050 -10.973
549 1HB GLU 69 HB2 GLU 69 1.710 4.975 -10.612
550 2HB GLU 69 HB1 GLU 69 2.779 6.100 -9.773
551 1HG GLU 69 HG2 GLU 69 3.178 7.022 -11.798
552 2HG GLU 69 HG1 GLU 69 4.127 5.576 -12.147
553 H LYS 70 HN LYS 70 5.329 6.047 -9.674
554 HA LYS 70 HA LYS 70 5.528 5.314 -6.785
555 1HB LYS 70 HB2 LYS 70 7.548 4.947 -8.706
556 2HB LYS 70 HB1 LYS 70 8.009 6.403 -7.824
557 1HG LYS 70 HG2 LYS 70 8.594 5.195 -6.018
558 2HG LYS 70 HG1 LYS 70 7.024 4.391 -5.994
559 1HD LYS 70 HD2 LYS 70 8.227 2.529 -6.509
560 2HD LYS 70 HD1 LYS 70 8.197 3.185 -8.146
561 1HE LYS 70 HE2 LYS 70 10.306 4.451 -6.648
562 2HE LYS 70 HE1 LYS 70 10.473 2.699 -6.532
563 1HZ LYS 70 HZ2 LYS 70 9.796 3.653 -9.165
564 2HZ LYS 70 HZ1 LYS 70 11.309 4.189 -8.610
565 3HZ LYS 70 HZ3 LYS 70 10.976 2.528 -8.687
566 H LEU 71 HN LEU 71 5.228 7.067 -5.476
567 HA LEU 71 HA LEU 71 5.582 9.773 -6.705
568 1HB LEU 71 HB2 LEU 71 3.829 10.381 -4.823
569 2HB LEU 71 HB1 LEU 71 3.282 9.718 -6.362
570 HG LEU 71 HG LEU 71 3.237 7.457 -5.378
571 1HD1 LEU 71 HD12 LEU 71 4.450 8.943 -3.085
572 2HD1 LEU 71 HD11 LEU 71 3.367 7.601 -2.717
573 3HD1 LEU 71 HD13 LEU 71 4.814 7.327 -3.689
574 1HD2 LEU 71 HD22 LEU 71 1.276 9.100 -5.197
575 2HD2 LEU 71 HD21 LEU 71 1.269 7.754 -4.056
576 3HD2 LEU 71 HD23 LEU 71 1.780 9.357 -3.528
577 H GLU 72 HN GLU 72 5.566 11.418 -4.641
578 HA GLU 72 HA GLU 72 7.075 10.381 -2.355
579 1HB GLU 72 HB2 GLU 72 9.076 11.769 -2.767
580 2HB GLU 72 HB1 GLU 72 8.857 10.580 -4.050
581 1HG GLU 72 HG2 GLU 72 9.035 12.334 -5.469
582 2HG GLU 72 HG1 GLU 72 7.385 12.724 -4.974
583 H TYR 73 HN TYR 73 7.428 12.095 -0.732
584 HA TYR 73 HA TYR 73 5.992 14.641 -1.232
585 1HB TYR 73 HB2 TYR 73 4.797 12.453 0.082
586 2HB TYR 73 HB1 TYR 73 5.260 13.578 1.356
587 HD1 TYR 73 HD2 TYR 73 4.830 16.182 0.596
588 HD2 TYR 73 HD1 TYR 73 2.668 12.737 -0.781
589 HE1 TYR 73 HE2 TYR 73 2.903 17.626 0.010
590 HE2 TYR 73 HE1 TYR 73 0.739 14.182 -1.367
591 HH TYR 73 HH TYR 73 -0.151 16.461 -0.586
592 H GLU 74 HN GLU 74 6.692 16.321 0.146
593 HA GLU 74 HA GLU 74 8.716 15.648 2.221
594 1HB GLU 74 HB2 GLU 74 9.995 16.143 0.179
595 2HB GLU 74 HB1 GLU 74 9.120 17.663 -0.016
596 1HG GLU 74 HG2 GLU 74 10.092 17.666 2.633
597 2HG GLU 74 HG1 GLU 74 11.427 17.105 1.628
598 H PHE 75 HN PHE 75 7.960 16.593 4.033
599 HA PHE 75 HA PHE 75 6.104 18.855 3.881
600 1HB PHE 75 HB2 PHE 75 6.927 16.847 5.840
601 2HB PHE 75 HB1 PHE 75 6.736 18.444 6.553
602 HD1 PHE 75 HD2 PHE 75 4.978 16.604 3.797
603 HD2 PHE 75 HD1 PHE 75 4.630 18.646 7.560
604 HE1 PHE 75 HE2 PHE 75 2.516 16.315 3.725
605 HE2 PHE 75 HE1 PHE 75 2.167 18.356 7.488
606 HZ PHE 75 HZ PHE 75 1.111 17.191 5.571
607 HA PRO 76 HA PRO 76 8.743 22.217 4.750
608 1HB PRO 76 HB2 PRO 76 7.755 22.944 7.355
609 2HB PRO 76 HB1 PRO 76 7.383 23.697 5.799
610 1HG PRO 76 HG2 PRO 76 5.662 22.026 7.395
611 2HG PRO 76 HG1 PRO 76 5.304 22.770 5.832
612 1HD PRO 76 HD2 PRO 76 5.788 19.990 6.388
613 2HD PRO 76 HD1 PRO 76 5.446 20.738 4.817
614 H ASP 77 HN ASP 77 8.638 19.611 6.945
615 HA ASP 77 HA ASP 77 11.438 19.940 7.604
616 1HB ASP 77 HB2 ASP 77 11.251 20.284 9.968
617 2HB ASP 77 HB1 ASP 77 10.237 21.508 9.202
618 H ARG 78 HN ARG 78 9.165 17.908 6.735
619 HA ARG 78 HA ARG 78 10.216 15.714 8.424
620 1HB ARG 78 HB2 ARG 78 7.401 16.326 7.536
621 2HB ARG 78 HB1 ARG 78 7.892 14.736 8.071
622 1HG ARG 78 HG2 ARG 78 8.837 16.782 9.887
623 2HG ARG 78 HG1 ARG 78 7.086 16.858 9.700
624 1HD ARG 78 HD2 ARG 78 8.354 14.175 10.097
625 2HD ARG 78 HD1 ARG 78 8.193 15.237 11.493
626 HE ARG 78 HE ARG 78 6.103 13.686 10.648
627 1HH1 ARG 78 HH21 ARG 78 6.522 16.763 11.859
628 2HH1 ARG 78 HH22 ARG 78 4.954 17.353 11.419
629 1HH2 ARG 78 HH11 ARG 78 4.154 14.569 9.509
630 2HH2 ARG 78 HH12 ARG 78 3.612 16.109 10.087
631 H HIS 79 HN HIS 79 9.231 13.577 7.139
632 HA HIS 79 HA HIS 79 9.643 13.917 4.224
633 1HB HIS 79 HB2 HIS 79 11.224 11.843 5.756
634 2HB HIS 79 HB1 HIS 79 11.439 12.357 4.081
635 HD1 HIS 79 HD1 HIS 79 12.295 13.272 7.585
636 HD2 HIS 79 HD2 HIS 79 12.675 14.952 3.789
637 HE1 HIS 79 HE1 HIS 79 13.895 15.220 7.822
638 H ILE 80 HN ILE 80 8.384 12.468 3.078
639 HA ILE 80 HA ILE 80 7.284 10.130 4.551
640 HB ILE 80 HB ILE 80 5.653 12.220 3.082
641 1HG1 ILE 80 HG12 ILE 80 6.367 12.634 5.492
642 2HG1 ILE 80 HG11 ILE 80 4.624 12.614 5.222
643 1HG2 ILE 80 HG21 ILE 80 4.984 9.445 4.065
644 2HG2 ILE 80 HG23 ILE 80 3.739 10.683 3.892
645 3HG2 ILE 80 HG22 ILE 80 4.660 10.155 2.484
646 1HD1 ILE 80 HD12 ILE 80 5.702 9.951 5.776
647 2HD1 ILE 80 HD11 ILE 80 5.986 11.086 7.096
648 3HD1 ILE 80 HD13 ILE 80 4.343 10.789 6.526
649 H THR 81 HN THR 81 8.828 9.005 3.107
650 HA THR 81 HA THR 81 8.268 9.073 0.218
651 HB THR 81 HB THR 81 9.907 6.863 1.301
652 HG1 THR 81 HG1 THR 81 11.611 8.336 1.808
653 1HG2 THR 81 HG22 THR 81 10.004 8.902 -0.889
654 2HG2 THR 81 HG21 THR 81 11.504 8.119 -0.394
655 3HG2 THR 81 HG23 THR 81 10.156 7.149 -0.987
656 H LEU 82 HN LEU 82 6.838 7.681 -0.784
657 HA LEU 82 HA LEU 82 6.003 5.253 0.733
658 1HB LEU 82 HB2 LEU 82 4.418 7.490 0.604
659 2HB LEU 82 HB1 LEU 82 3.851 6.571 -0.792
660 HG LEU 82 HG LEU 82 2.611 6.011 1.305
661 1HD1 LEU 82 HD12 LEU 82 3.551 4.319 -0.653
662 2HD1 LEU 82 HD11 LEU 82 4.071 3.503 0.821
663 3HD1 LEU 82 HD13 LEU 82 2.365 3.877 0.576
664 1HD2 LEU 82 HD21 LEU 82 5.020 6.221 2.537
665 2HD2 LEU 82 HD23 LEU 82 3.666 5.320 3.218
666 3HD2 LEU 82 HD22 LEU 82 4.933 4.472 2.333
667 H TRP 83 HN TRP 83 6.535 3.579 -0.579
668 HA TRP 83 HA TRP 83 6.644 3.919 -3.489
669 1HB TRP 83 HB2 TRP 83 6.829 1.325 -1.935
670 2HB TRP 83 HB1 TRP 83 7.467 1.664 -3.545
671 HD1 TRP 83 HD1 TRP 83 8.655 1.303 -0.195
672 HE1 TRP 83 HE1 TRP 83 10.857 2.584 0.207
673 HE3 TRP 83 HE3 TRP 83 8.654 4.355 -4.286
674 HZ2 TRP 83 HZ2 TRP 83 12.410 4.638 -1.045
675 HZ3 TRP 83 HZ3 TRP 83 10.503 5.962 -4.657
676 HH2 TRP 83 HH2 TRP 83 12.380 6.106 -3.044
677 H PHE 84 HN PHE 84 5.257 2.637 -4.953
678 HA PHE 84 HA PHE 84 2.738 1.700 -3.656
679 1HB PHE 84 HB2 PHE 84 3.124 3.930 -5.549
680 2HB PHE 84 HB1 PHE 84 1.860 2.797 -6.025
681 HD1 PHE 84 HD2 PHE 84 3.091 4.731 -3.061
682 HD2 PHE 84 HD1 PHE 84 -0.260 2.956 -5.073
683 HE1 PHE 84 HE2 PHE 84 1.555 5.743 -1.398
684 HE2 PHE 84 HE1 PHE 84 -1.793 3.969 -3.417
685 HZ PHE 84 HZ PHE 84 -0.889 5.357 -1.578
686 H TRP 85 HN TRP 85 4.030 -0.372 -4.183
687 HA TRP 85 HA TRP 85 4.086 -1.074 -7.033
688 1HB TRP 85 HB2 TRP 85 5.781 -2.341 -6.258
689 2HB TRP 85 HB1 TRP 85 5.338 -1.983 -4.598
690 HD1 TRP 85 HD1 TRP 85 2.809 -3.545 -4.077
691 HE1 TRP 85 HE1 TRP 85 2.723 -6.116 -4.223
692 HE3 TRP 85 HE3 TRP 85 6.841 -4.382 -7.086
693 HZ2 TRP 85 HZ2 TRP 85 4.190 -8.248 -5.445
694 HZ3 TRP 85 HZ3 TRP 85 7.480 -6.690 -7.723
695 HH2 TRP 85 HH2 TRP 85 6.158 -8.623 -6.909
696 H LEU 86 HN LEU 86 2.661 -2.583 -8.000
697 HA LEU 86 HA LEU 86 0.373 -3.434 -6.286
698 1HB LEU 86 HB2 LEU 86 -0.129 -1.344 -7.651
699 2HB LEU 86 HB1 LEU 86 0.025 -2.355 -9.090
700 HG LEU 86 HG LEU 86 -1.729 -3.847 -8.256
701 1HD1 LEU 86 HD13 LEU 86 -1.617 -1.991 -5.877
702 2HD1 LEU 86 HD12 LEU 86 -3.005 -3.032 -6.192
703 3HD1 LEU 86 HD11 LEU 86 -1.419 -3.744 -5.895
704 1HD2 LEU 86 HD21 LEU 86 -2.075 -1.141 -9.050
705 2HD2 LEU 86 HD23 LEU 86 -3.225 -2.466 -9.228
706 3HD2 LEU 86 HD22 LEU 86 -3.262 -1.454 -7.785
707 H VAL 87 HN VAL 87 -0.058 -5.559 -6.526
708 HA VAL 87 HA VAL 87 1.211 -6.982 -8.787
709 HB VAL 87 HB VAL 87 0.718 -8.980 -7.449
710 1HG1 VAL 87 HG11 VAL 87 2.440 -6.813 -6.709
711 2HG1 VAL 87 HG13 VAL 87 1.890 -7.643 -5.254
712 3HG1 VAL 87 HG12 VAL 87 2.713 -8.545 -6.526
713 1HG2 VAL 87 HG21 VAL 87 -1.125 -7.203 -6.188
714 2HG2 VAL 87 HG23 VAL 87 -0.934 -8.937 -5.933
715 3HG2 VAL 87 HG22 VAL 87 0.005 -7.797 -4.969
716 H GLU 88 HN GLU 88 -0.322 -9.108 -9.229
717 HA GLU 88 HA GLU 88 -3.055 -8.038 -9.808
718 1HB GLU 88 HB2 GLU 88 -1.313 -9.759 -11.603
719 2HB GLU 88 HB1 GLU 88 -2.990 -9.328 -11.938
720 1HG GLU 88 HG2 GLU 88 -1.691 -6.903 -11.323
721 2HG GLU 88 HG1 GLU 88 -0.593 -7.775 -12.394
722 H ARG 89 HN ARG 89 -1.043 -10.786 -8.930
723 HA ARG 89 HA ARG 89 -3.311 -12.093 -7.676
724 1HB ARG 89 HB2 ARG 89 -2.738 -14.257 -9.089
725 2HB ARG 89 HB1 ARG 89 -3.880 -13.064 -9.708
726 1HG ARG 89 HG2 ARG 89 -1.113 -12.387 -10.352
727 2HG ARG 89 HG1 ARG 89 -1.598 -13.949 -11.018
728 1HD ARG 89 HD2 ARG 89 -3.296 -11.463 -11.304
729 2HD ARG 89 HD1 ARG 89 -2.079 -11.919 -12.493
730 HE ARG 89 HE ARG 89 -4.608 -12.933 -12.630
731 1HH1 ARG 89 HH11 ARG 89 -3.992 -15.065 -10.705
732 2HH1 ARG 89 HH12 ARG 89 -3.328 -16.318 -11.700
733 1HH2 ARG 89 HH21 ARG 89 -2.703 -14.220 -14.385
734 2HH2 ARG 89 HH22 ARG 89 -2.599 -15.840 -13.782
735 H TRP 90 HN TRP 90 -2.527 -14.254 -6.679
736 HA TRP 90 HA TRP 90 0.341 -14.664 -6.493
737 1HB TRP 90 HB2 TRP 90 0.567 -14.151 -4.096
738 2HB TRP 90 HB1 TRP 90 0.168 -12.712 -5.018
739 HD1 TRP 90 HD1 TRP 90 -1.175 -15.060 -2.393
740 HE1 TRP 90 HE1 TRP 90 -3.373 -14.117 -1.429
741 HE3 TRP 90 HE3 TRP 90 -1.996 -11.237 -5.685
742 HZ2 TRP 90 HZ2 TRP 90 -5.235 -12.029 -1.990
743 HZ3 TRP 90 HZ3 TRP 90 -3.998 -9.797 -5.435
744 HH2 TRP 90 HH2 TRP 90 -5.615 -10.185 -3.603
745 H GLU 91 HN GLU 91 0.566 -16.030 -4.181
746 HA GLU 91 HA GLU 91 -1.624 -18.053 -4.286
747 1HB GLU 91 HB2 GLU 91 0.609 -18.567 -5.520
748 2HB GLU 91 HB1 GLU 91 1.247 -18.808 -3.892
749 1HG GLU 91 HG2 GLU 91 -0.272 -20.543 -3.423
750 2HG GLU 91 HG1 GLU 91 -1.306 -20.116 -4.785
751 H GLY 92 HN GLY 92 -2.530 -17.560 -2.253
752 1HA GLY 92 HA2 GLY 92 -2.160 -18.606 0.065
753 2HA GLY 92 HA1 GLY 92 -0.652 -17.693 0.070
754 H GLU 93 HN GLU 93 -1.323 -16.502 1.937
755 HA GLU 93 HA GLU 93 -3.675 -14.730 1.585
756 1HB GLU 93 HB2 GLU 93 -3.687 -15.844 3.699
757 2HB GLU 93 HB1 GLU 93 -1.983 -15.484 3.975
758 1HG GLU 93 HG2 GLU 93 -3.175 -13.925 5.316
759 2HG GLU 93 HG1 GLU 93 -2.654 -13.008 3.904
760 HA PRO 94 HA PRO 94 -0.990 -11.450 0.225
761 1HB PRO 94 HB2 PRO 94 -2.869 -9.516 1.243
762 2HB PRO 94 HB1 PRO 94 -2.602 -10.004 -0.434
763 1HG PRO 94 HG2 PRO 94 -4.796 -10.738 1.326
764 2HG PRO 94 HG1 PRO 94 -4.620 -11.060 -0.402
765 1HD PRO 94 HD2 PRO 94 -4.456 -12.967 1.664
766 2HD PRO 94 HD1 PRO 94 -3.952 -13.198 -0.009
767 H TRP 95 HN TRP 95 0.521 -10.060 1.227
768 HA TRP 95 HA TRP 95 0.442 -9.903 4.205
769 1HB TRP 95 HB2 TRP 95 2.957 -9.503 3.903
770 2HB TRP 95 HB1 TRP 95 2.401 -11.136 3.548
771 HD1 TRP 95 HD1 TRP 95 2.831 -12.030 1.173
772 HE1 TRP 95 HE1 TRP 95 3.796 -11.065 -0.979
773 HE3 TRP 95 HE3 TRP 95 3.135 -7.130 2.498
774 HZ2 TRP 95 HZ2 TRP 95 4.597 -8.524 -2.034
775 HZ3 TRP 95 HZ3 TRP 95 4.004 -5.448 0.896
776 HH2 TRP 95 HH2 TRP 95 4.732 -6.147 -1.363
777 H GLY 96 HN GLY 96 2.106 -7.919 4.758
778 1HA GLY 96 HA2 GLY 96 2.435 -5.684 3.267
779 2HA GLY 96 HA1 GLY 96 0.744 -5.566 3.669
780 H LYS 97 HN LYS 97 0.425 -6.093 6.163
781 HA LYS 97 HA LYS 97 2.318 -4.297 7.613
782 1HB LYS 97 HB2 LYS 97 -0.445 -4.236 7.472
783 2HB LYS 97 HB1 LYS 97 -0.152 -5.048 9.010
784 1HG LYS 97 HG2 LYS 97 1.683 -2.856 8.761
785 2HG LYS 97 HG1 LYS 97 0.050 -2.268 8.445
786 1HD LYS 97 HD2 LYS 97 -0.636 -2.634 10.589
787 2HD LYS 97 HD1 LYS 97 0.284 -4.134 10.728
788 1HE LYS 97 HE2 LYS 97 2.382 -2.685 10.820
789 2HE LYS 97 HE1 LYS 97 1.306 -1.303 11.021
790 1HZ LYS 97 HZ3 LYS 97 0.894 -3.625 12.751
791 2HZ LYS 97 HZ2 LYS 97 2.233 -2.630 13.071
792 3HZ LYS 97 HZ1 LYS 97 0.665 -1.976 13.079
793 H GLU 98 HN GLU 98 2.494 -4.899 10.043
794 HA GLU 98 HA GLU 98 3.910 -7.208 10.483
795 1HB GLU 98 HB2 GLU 98 3.180 -5.287 12.134
796 2HB GLU 98 HB1 GLU 98 1.906 -6.422 12.578
797 1HG GLU 98 HG2 GLU 98 3.577 -7.055 14.064
798 2HG GLU 98 HG1 GLU 98 3.914 -8.138 12.712
799 H GLY 99 HN GLY 99 0.387 -6.921 10.424
800 1HA GLY 99 HA2 GLY 99 0.250 -9.909 10.378
801 2HA GLY 99 HA1 GLY 99 -0.946 -8.940 11.246
802 H GLN 100 HN GLN 100 -2.549 -9.980 9.761
803 HA GLN 100 HA GLN 100 -2.526 -8.705 7.080
804 1HB GLN 100 HB2 GLN 100 -4.207 -10.695 6.695
805 2HB GLN 100 HB1 GLN 100 -2.473 -10.969 6.598
806 1HG GLN 100 HG2 GLN 100 -3.872 -11.241 9.241
807 2HG GLN 100 HG1 GLN 100 -3.988 -12.553 8.069
808 1HE2 GLN 100 HE22 GLN 100 -0.466 -13.336 8.264
809 2HE2 GLN 100 HE21 GLN 100 -1.772 -13.331 7.180
810 HA PRO 101 HA PRO 101 -6.450 -7.650 9.640
811 1HB PRO 101 HB2 PRO 101 -5.703 -4.981 10.173
812 2HB PRO 101 HB1 PRO 101 -5.776 -6.301 11.351
813 1HG PRO 101 HG2 PRO 101 -3.414 -5.018 10.183
814 2HG PRO 101 HG1 PRO 101 -3.511 -6.119 11.564
815 1HD PRO 101 HD2 PRO 101 -2.532 -6.740 8.961
816 2HD PRO 101 HD1 PRO 101 -2.836 -7.869 10.297
817 H GLY 102 HN GLY 102 -4.572 -6.565 7.059
818 1HA GLY 102 HA2 GLY 102 -5.717 -4.309 5.997
819 2HA GLY 102 HA1 GLY 102 -5.270 -5.674 4.980
820 H GLU 103 HN GLU 103 -7.446 -4.048 4.321
821 HA GLU 103 HA GLU 103 -9.757 -5.855 4.927
822 1HB GLU 103 HB2 GLU 103 -11.175 -3.817 4.415
823 2HB GLU 103 HB1 GLU 103 -10.203 -3.683 5.880
824 1HG GLU 103 HG2 GLU 103 -8.734 -2.800 3.521
825 2HG GLU 103 HG1 GLU 103 -10.220 -1.878 3.751
826 H TRP 104 HN TRP 104 -10.668 -6.824 3.164
827 HA TRP 104 HA TRP 104 -9.483 -6.376 0.536
828 1HB TRP 104 HB2 TRP 104 -11.938 -8.034 1.151
829 2HB TRP 104 HB1 TRP 104 -10.793 -8.241 -0.175
830 HD1 TRP 104 HD1 TRP 104 -8.229 -7.732 1.857
831 HE1 TRP 104 HE1 TRP 104 -7.471 -9.732 3.292
832 HE3 TRP 104 HE3 TRP 104 -12.457 -10.592 1.691
833 HZ2 TRP 104 HZ2 TRP 104 -8.517 -12.214 4.246
834 HZ3 TRP 104 HZ3 TRP 104 -12.548 -12.769 2.872
835 HH2 TRP 104 HH2 TRP 104 -10.586 -13.584 4.149
836 H MET 105 HN MET 105 -10.059 -4.299 -0.151
837 HA MET 105 HA MET 105 -12.842 -3.402 -0.023
838 1HB MET 105 HB2 MET 105 -10.360 -2.139 -0.261
839 2HB MET 105 HB1 MET 105 -11.126 -1.895 -1.831
840 1HG MET 105 HG2 MET 105 -12.687 -0.492 -0.979
841 2HG MET 105 HG1 MET 105 -12.958 -1.514 0.432
842 1HE MET 105 HE2 MET 105 -9.917 -0.151 -1.181
843 2HE MET 105 HE1 MET 105 -10.596 1.467 -1.033
844 3HE MET 105 HE3 MET 105 -9.187 1.004 -0.069
845 H SER 106 HN SER 106 -13.114 -2.146 -2.513
846 HA SER 106 HA SER 106 -12.934 -4.342 -4.509
847 1HB SER 106 HB2 SER 106 -15.227 -4.140 -3.193
848 2HB SER 106 HB1 SER 106 -15.498 -2.804 -4.309
849 HG SER 106 HG SER 106 -14.593 -5.324 -5.204
850 H LEU 107 HN LEU 107 -13.224 -3.544 -6.727
851 HA LEU 107 HA LEU 107 -12.611 -0.625 -6.944
852 1HB LEU 107 HB2 LEU 107 -11.538 -3.036 -8.309
853 2HB LEU 107 HB1 LEU 107 -11.800 -1.619 -9.327
854 HG LEU 107 HG LEU 107 -10.568 -0.869 -6.809
855 1HD1 LEU 107 HD13 LEU 107 -9.298 -3.056 -8.459
856 2HD1 LEU 107 HD12 LEU 107 -8.319 -1.936 -7.512
857 3HD1 LEU 107 HD11 LEU 107 -9.493 -2.978 -6.708
858 1HD2 LEU 107 HD22 LEU 107 -10.356 -0.385 -9.699
859 2HD2 LEU 107 HD21 LEU 107 -10.086 0.723 -8.353
860 3HD2 LEU 107 HD23 LEU 107 -8.796 -0.360 -8.875
861 H VAL 108 HN VAL 108 -15.163 -0.803 -6.785
862 HA VAL 108 HA VAL 108 -16.288 -1.297 -9.504
863 HB VAL 108 HB VAL 108 -17.350 -2.412 -7.502
864 1HG1 VAL 108 HG12 VAL 108 -17.080 0.146 -6.399
865 2HG1 VAL 108 HG11 VAL 108 -18.811 -0.031 -6.689
866 3HG1 VAL 108 HG13 VAL 108 -17.957 -1.210 -5.693
867 1HG2 VAL 108 HG23 VAL 108 -18.508 -1.191 -9.722
868 2HG2 VAL 108 HG22 VAL 108 -19.285 -2.375 -8.672
869 3HG2 VAL 108 HG21 VAL 108 -19.510 -0.650 -8.376
870 H GLY 109 HN GLY 109 -15.653 1.162 -7.120
871 1HA GLY 109 HA2 GLY 109 -16.085 3.269 -9.055
872 2HA GLY 109 HA1 GLY 109 -17.371 3.230 -7.845
873 H LEU 110 HN LEU 110 -13.898 2.516 -7.465
874 HA LEU 110 HA LEU 110 -13.551 3.660 -4.974
875 1HB LEU 110 HB2 LEU 110 -11.850 2.855 -7.147
876 2HB LEU 110 HB1 LEU 110 -11.250 4.371 -6.480
877 HG LEU 110 HG LEU 110 -11.947 1.923 -4.837
878 1HD1 LEU 110 HD12 LEU 110 -9.344 2.976 -5.940
879 2HD1 LEU 110 HD11 LEU 110 -9.379 1.987 -4.481
880 3HD1 LEU 110 HD13 LEU 110 -9.980 1.332 -6.004
881 1HD2 LEU 110 HD21 LEU 110 -11.107 4.715 -4.229
882 2HD2 LEU 110 HD23 LEU 110 -12.122 3.618 -3.291
883 3HD2 LEU 110 HD22 LEU 110 -10.367 3.437 -3.264
884 H ASN 111 HN ASN 111 -13.106 5.781 -4.222
885 HA ASN 111 HA ASN 111 -13.555 7.948 -6.240
886 1HB ASN 111 HB2 ASN 111 -15.271 7.262 -4.184
887 2HB ASN 111 HB1 ASN 111 -14.337 8.583 -3.483
888 1HD2 ASN 111 HD22 ASN 111 -16.985 10.407 -5.174
889 2HD2 ASN 111 HD21 ASN 111 -16.682 9.581 -3.722
890 H ALA 112 HN ALA 112 -11.168 6.662 -4.493
891 HA ALA 112 HA ALA 112 -9.203 7.534 -3.499
892 1HB ALA 112 HB3 ALA 112 -10.078 9.879 -5.221
893 2HB ALA 112 HB2 ALA 112 -8.509 9.765 -4.423
894 3HB ALA 112 HB1 ALA 112 -8.948 8.604 -5.675
895 H ASP 113 HN ASP 113 -12.043 8.123 -2.364
896 HA ASP 113 HA ASP 113 -11.459 10.571 -0.820
897 1HB ASP 113 HB2 ASP 113 -13.718 9.988 -2.037
898 2HB ASP 113 HB1 ASP 113 -14.018 9.038 -0.584
899 H ASP 114 HN ASP 114 -12.046 7.108 -0.444
900 HA ASP 114 HA ASP 114 -12.030 7.228 2.453
901 1HB ASP 114 HB2 ASP 114 -11.362 4.747 0.903
902 2HB ASP 114 HB1 ASP 114 -12.353 4.935 2.340
903 H PHE 115 HN PHE 115 -9.714 7.697 0.114
904 HA PHE 115 HA PHE 115 -7.516 6.453 1.665
905 1HB PHE 115 HB2 PHE 115 -7.782 7.628 -1.084
906 2HB PHE 115 HB1 PHE 115 -6.187 7.536 -0.334
907 HD1 PHE 115 HD2 PHE 115 -5.553 5.227 0.742
908 HD2 PHE 115 HD1 PHE 115 -8.627 5.758 -2.213
909 HE1 PHE 115 HE2 PHE 115 -5.423 2.818 0.172
910 HE2 PHE 115 HE1 PHE 115 -8.496 3.349 -2.782
911 HZ PHE 115 HZ PHE 115 -6.893 1.877 -1.590
912 HA PRO 116 HA PRO 116 -7.375 10.379 3.856
913 1HB PRO 116 HB2 PRO 116 -4.791 9.434 4.839
914 2HB PRO 116 HB1 PRO 116 -6.282 9.730 5.740
915 1HG PRO 116 HG2 PRO 116 -5.179 7.193 5.036
916 2HG PRO 116 HG1 PRO 116 -6.752 7.498 5.787
917 1HD PRO 116 HD2 PRO 116 -6.228 6.598 3.099
918 2HD PRO 116 HD1 PRO 116 -7.802 6.916 3.853
919 HA PRO 117 HA PRO 117 -4.918 12.864 1.234
920 1HB PRO 117 HB2 PRO 117 -3.888 14.513 3.370
921 2HB PRO 117 HB1 PRO 117 -5.182 14.885 2.223
922 1HG PRO 117 HG2 PRO 117 -5.451 14.260 5.017
923 2HG PRO 117 HG1 PRO 117 -6.743 14.589 3.854
924 1HD PRO 117 HD2 PRO 117 -6.036 12.056 5.039
925 2HD PRO 117 HD1 PRO 117 -7.332 12.390 3.872
926 H ALA 118 HN ALA 118 -3.000 12.222 0.386
927 HA ALA 118 HA ALA 118 -0.459 12.588 1.328
928 1HB ALA 118 HB1 ALA 118 -1.749 10.307 2.719
929 2HB ALA 118 HB3 ALA 118 -0.128 9.997 2.099
930 3HB ALA 118 HB2 ALA 118 -0.401 11.319 3.233
931 H ASN 119 HN ASN 119 -2.555 10.124 -0.097
932 HA ASN 119 HA ASN 119 -0.477 9.589 -2.147
933 1HB ASN 119 HB2 ASN 119 -2.743 7.929 -1.026
934 2HB ASN 119 HB1 ASN 119 -1.811 7.468 -2.436
935 1HD2 ASN 119 HD22 ASN 119 1.256 7.415 -0.235
936 2HD2 ASN 119 HD21 ASN 119 0.784 8.386 -1.543
937 H GLU 120 HN GLU 120 -2.193 11.862 -2.349
938 HA GLU 120 HA GLU 120 -4.557 11.332 -3.864
939 1HB GLU 120 HB2 GLU 120 -2.883 13.840 -4.024
940 2HB GLU 120 HB1 GLU 120 -4.619 13.681 -4.294
941 1HG GLU 120 HG2 GLU 120 -4.637 12.748 -1.839
942 2HG GLU 120 HG1 GLU 120 -3.094 13.592 -1.708
943 HA PRO 121 HA PRO 121 -1.739 12.328 -7.704
944 1HB PRO 121 HB2 PRO 121 0.900 11.378 -7.162
945 2HB PRO 121 HB1 PRO 121 0.385 13.049 -7.426
946 1HG PRO 121 HG2 PRO 121 1.239 11.850 -4.955
947 2HG PRO 121 HG1 PRO 121 0.688 13.511 -5.217
948 1HD PRO 121 HD2 PRO 121 -0.731 11.313 -3.945
949 2HD PRO 121 HD1 PRO 121 -1.216 13.018 -4.060
950 H VAL 122 HN VAL 122 -1.084 9.432 -5.701
951 HA VAL 122 HA VAL 122 -0.815 7.822 -8.158
952 HB VAL 122 HB VAL 122 -0.176 7.535 -5.255
953 1HG1 VAL 122 HG11 VAL 122 -1.324 5.398 -6.910
954 2HG1 VAL 122 HG13 VAL 122 0.199 4.988 -6.121
955 3HG1 VAL 122 HG12 VAL 122 -1.179 5.520 -5.157
956 1HG2 VAL 122 HG21 VAL 122 1.151 6.882 -7.894
957 2HG2 VAL 122 HG23 VAL 122 1.637 8.088 -6.703
958 3HG2 VAL 122 HG22 VAL 122 1.829 6.372 -6.347
959 H ILE 123 HN ILE 123 -2.801 8.168 -5.267
960 HA ILE 123 HA ILE 123 -4.749 6.165 -5.727
961 HB ILE 123 HB ILE 123 -4.937 8.896 -4.446
962 1HG1 ILE 123 HG12 ILE 123 -3.393 7.051 -3.539
963 2HG1 ILE 123 HG11 ILE 123 -4.552 7.746 -2.406
964 1HG2 ILE 123 HG22 ILE 123 -6.912 6.611 -4.584
965 2HG2 ILE 123 HG21 ILE 123 -6.989 7.865 -3.345
966 3HG2 ILE 123 HG23 ILE 123 -7.170 8.294 -5.045
967 1HD1 ILE 123 HD12 ILE 123 -6.122 5.844 -2.985
968 2HD1 ILE 123 HD11 ILE 123 -4.800 5.118 -3.898
969 3HD1 ILE 123 HD13 ILE 123 -4.650 5.343 -2.156
970 H ALA 124 HN ALA 124 -4.281 9.343 -7.151
971 HA ALA 124 HA ALA 124 -6.925 9.483 -8.322
972 1HB ALA 124 HB1 ALA 124 -4.383 11.025 -8.568
973 2HB ALA 124 HB3 ALA 124 -5.577 11.197 -9.855
974 3HB ALA 124 HB2 ALA 124 -6.009 11.593 -8.191
975 H LYS 125 HN LYS 125 -3.790 8.271 -9.469
976 HA LYS 125 HA LYS 125 -4.782 7.864 -12.173
977 1HB LYS 125 HB2 LYS 125 -2.229 7.685 -10.805
978 2HB LYS 125 HB1 LYS 125 -2.494 6.287 -11.847
979 1HG LYS 125 HG2 LYS 125 -1.523 7.857 -13.305
980 2HG LYS 125 HG1 LYS 125 -3.251 8.027 -13.620
981 1HD LYS 125 HD2 LYS 125 -3.397 9.995 -12.261
982 2HD LYS 125 HD1 LYS 125 -1.779 9.740 -11.606
983 1HE LYS 125 HE2 LYS 125 -1.511 11.420 -13.265
984 2HE LYS 125 HE1 LYS 125 -0.943 9.932 -14.023
985 1HZ LYS 125 HZ1 LYS 125 -3.773 10.447 -14.310
986 2HZ LYS 125 HZ3 LYS 125 -2.770 11.569 -15.094
987 3HZ LYS 125 HZ2 LYS 125 -2.641 9.914 -15.459
988 H LEU 126 HN LEU 126 -3.613 5.506 -9.727
989 HA LEU 126 HA LEU 126 -4.987 3.367 -11.141
990 1HB LEU 126 HB2 LEU 126 -4.235 2.092 -9.006
991 2HB LEU 126 HB1 LEU 126 -3.018 2.610 -10.157
992 HG LEU 126 HG LEU 126 -2.437 4.502 -8.783
993 1HD1 LEU 126 HD13 LEU 126 -4.759 3.669 -7.021
994 2HD1 LEU 126 HD12 LEU 126 -3.630 4.979 -6.676
995 3HD1 LEU 126 HD11 LEU 126 -4.718 5.095 -8.058
996 1HD2 LEU 126 HD22 LEU 126 -1.691 2.129 -8.123
997 2HD2 LEU 126 HD21 LEU 126 -1.525 3.393 -6.903
998 3HD2 LEU 126 HD23 LEU 126 -2.872 2.257 -6.819
999 H LYS 127 HN LYS 127 -6.631 5.593 -9.923
1000 HA LYS 127 HA LYS 127 -7.996 4.490 -7.653
1001 1HB LYS 127 HB2 LYS 127 -9.105 6.497 -7.724
1002 2HB LYS 127 HB1 LYS 127 -7.791 6.913 -8.803
1003 1HG LYS 127 HG2 LYS 127 -9.466 7.542 -10.170
1004 2HG LYS 127 HG1 LYS 127 -9.456 5.843 -10.595
1005 1HD LYS 127 HD2 LYS 127 -11.753 6.678 -10.068
1006 2HD LYS 127 HD1 LYS 127 -11.238 5.381 -8.990
1007 1HE LYS 127 HE2 LYS 127 -11.520 6.730 -7.212
1008 2HE LYS 127 HE1 LYS 127 -10.346 7.863 -7.881
1009 1HZ LYS 127 HZ3 LYS 127 -12.369 8.507 -9.384
1010 2HZ LYS 127 HZ2 LYS 127 -13.268 7.875 -8.087
1011 3HZ LYS 127 HZ1 LYS 127 -12.195 9.167 -7.832
1012 H ARG 128 HN ARG 128 -8.284 4.314 -11.120
1013 HA ARG 128 HA ARG 128 -10.552 2.440 -10.810
1014 1HB ARG 128 HB2 ARG 128 -10.919 3.091 -13.289
1015 2HB ARG 128 HB1 ARG 128 -11.461 4.208 -12.049
1016 1HG ARG 128 HG2 ARG 128 -9.133 5.305 -12.324
1017 2HG ARG 128 HG1 ARG 128 -9.019 4.377 -13.817
1018 1HD ARG 128 HD2 ARG 128 -11.523 5.439 -14.050
1019 2HD ARG 128 HD1 ARG 128 -10.696 6.722 -13.172
1020 HE ARG 128 HE ARG 128 -8.959 6.055 -15.249
1021 1HH1 ARG 128 HH21 ARG 128 -12.237 7.078 -14.882
1022 2HH1 ARG 128 HH22 ARG 128 -12.304 7.858 -16.426
1023 1HH2 ARG 128 HH11 ARG 128 -9.044 7.046 -17.282
1024 2HH2 ARG 128 HH12 ARG 128 -10.499 7.840 -17.783
1025 H LEU 129 HN LEU 129 -7.923 1.489 -10.545
1026 HA LEU 129 HA LEU 129 -6.447 0.696 -12.701
1027 1HB LEU 129 HB2 LEU 129 -7.347 -1.101 -10.434
1028 2HB LEU 129 HB1 LEU 129 -5.929 -1.328 -11.439
1029 HG LEU 129 HG LEU 129 -5.838 1.330 -10.431
1030 1HD1 LEU 129 HD13 LEU 129 -6.512 -0.817 -8.411
1031 2HD1 LEU 129 HD12 LEU 129 -5.611 0.633 -7.964
1032 3HD1 LEU 129 HD11 LEU 129 -7.252 0.773 -8.598
1033 1HD2 LEU 129 HD21 LEU 129 -4.250 -1.181 -10.357
1034 2HD2 LEU 129 HD23 LEU 129 -3.751 0.453 -10.798
1035 3HD2 LEU 129 HD22 LEU 129 -3.886 -0.001 -9.098
No H/Q in entry = 1035
Contact the webmaster for help, if required. Tuesday, July 2, 2024 9:18:19 PM GMT (wattos1)