Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
528069 | 2lgw RC | 17825 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -13.330 4.097 10.010
2 H2 MET 1 HT2 MET 1 -14.135 2.865 10.851
3 H3 MET 1 HT3 MET 1 -14.353 3.033 9.177
4 HA MET 1 HA MET 1 -11.784 2.378 10.483
5 HB2 MET 1 HB2 MET 1 -13.704 0.577 8.990
6 HB3 MET 1 HB1 MET 1 -12.087 0.123 9.502
7 HG2 MET 1 HG2 MET 1 -13.502 -0.811 11.096
8 HG3 MET 1 HG1 MET 1 -12.859 0.636 11.869
9 HE1 MET 1 HE1 MET 1 -15.696 0.358 9.116
10 HE2 MET 1 HE2 MET 1 -17.123 0.246 10.148
11 HE3 MET 1 HE3 MET 1 -15.925 -1.049 10.156
12 H ALA 2 HN ALA 2 -10.314 3.382 9.245
13 HA ALA 2 HA ALA 2 -10.641 3.154 6.328
14 HB1 ALA 2 HB1 ALA 2 -9.287 5.072 6.039
15 HB2 ALA 2 HB2 ALA 2 -8.763 5.050 7.721
16 HB3 ALA 2 HB3 ALA 2 -10.431 5.468 7.322
17 H SER 3 HN SER 3 -8.305 2.929 8.951
18 HA SER 3 HA SER 3 -6.545 1.577 9.340
19 HB2 SER 3 HB2 SER 3 -7.516 0.009 6.944
20 HB3 SER 3 HB1 SER 3 -6.354 -0.551 8.149
21 HG SER 3 HG SER 3 -8.895 -0.894 8.265
22 H TYR 4 HN TYR 4 -6.829 3.395 6.592
23 HA TYR 4 HA TYR 4 -4.636 2.685 5.042
24 HB2 TYR 4 HB2 TYR 4 -6.199 4.163 4.078
25 HB3 TYR 4 HB1 TYR 4 -6.106 5.288 5.426
26 HD1 TYR 4 HD1 TYR 4 -3.825 3.793 2.862
27 HD2 TYR 4 HD2 TYR 4 -4.978 7.257 5.040
28 HE1 TYR 4 HE1 TYR 4 -2.168 5.119 1.626
29 HE2 TYR 4 HE2 TYR 4 -3.323 8.590 3.808
30 HH TYR 4 HH TYR 4 -1.808 7.508 1.013
31 H TYR 5 HN TYR 5 -4.811 4.716 7.895
32 HA TYR 5 HA TYR 5 -2.273 5.859 7.853
33 HB2 TYR 5 HB2 TYR 5 -3.921 6.570 9.466
34 HB3 TYR 5 HB1 TYR 5 -4.007 4.958 10.162
35 HD1 TYR 5 HD2 TYR 5 -1.568 7.734 9.604
36 HD2 TYR 5 HD1 TYR 5 -2.785 4.483 12.064
37 HE1 TYR 5 HE2 TYR 5 0.147 8.346 11.256
38 HE2 TYR 5 HE1 TYR 5 -1.075 5.088 13.720
39 HH TYR 5 HH TYR 5 1.070 6.291 13.790
40 H GLU 6 HN GLU 6 -3.362 2.720 9.023
41 HA GLU 6 HA GLU 6 -0.820 1.917 10.025
42 HB2 GLU 6 HB2 GLU 6 -3.315 0.355 9.386
43 HB3 GLU 6 HB1 GLU 6 -1.899 -0.322 10.181
44 HG2 GLU 6 HG2 GLU 6 -3.467 2.005 11.229
45 HG3 GLU 6 HG1 GLU 6 -3.741 0.331 11.716
46 H ILE 7 HN ILE 7 -2.640 1.323 7.052
47 HA ILE 7 HA ILE 7 -1.014 -0.867 6.259
48 HB ILE 7 HB ILE 7 -2.332 -0.920 4.204
49 HG12 ILE 7 HG12 ILE 7 -4.385 0.871 4.541
50 HG13 ILE 7 HG11 ILE 7 -2.987 1.825 5.018
51 HG21 ILE 7 HG21 ILE 7 -4.374 -1.541 5.192
52 HG22 ILE 7 HG22 ILE 7 -4.190 -0.359 6.487
53 HG23 ILE 7 HG23 ILE 7 -3.159 -1.794 6.450
54 HD11 ILE 7 HD11 ILE 7 -1.930 1.317 2.870
55 HD12 ILE 7 HD12 ILE 7 -3.474 2.148 2.686
56 HD13 ILE 7 HD13 ILE 7 -3.366 0.413 2.394
57 H LEU 8 HN LEU 8 -0.998 2.565 5.303
58 HA LEU 8 HA LEU 8 0.831 1.824 3.135
59 HB2 LEU 8 HB2 LEU 8 -1.385 3.326 2.998
60 HB3 LEU 8 HB1 LEU 8 -0.205 4.581 3.309
61 HG LEU 8 HG LEU 8 -0.548 4.421 0.951
62 HD11 LEU 8 HD11 LEU 8 1.704 3.923 0.139
63 HD12 LEU 8 HD12 LEU 8 2.086 3.156 1.679
64 HD13 LEU 8 HD13 LEU 8 1.733 4.882 1.619
65 HD21 LEU 8 HD21 LEU 8 0.123 1.497 1.226
66 HD22 LEU 8 HD22 LEU 8 -0.098 2.352 -0.300
67 HD23 LEU 8 HD23 LEU 8 -1.450 2.186 0.818
68 H ASP 9 HN ASP 9 0.765 5.090 4.120
69 HA ASP 9 HA ASP 9 3.408 4.866 5.355
70 HB2 ASP 9 HB2 ASP 9 3.659 5.084 2.857
71 HB3 ASP 9 HB1 ASP 9 2.879 6.657 2.977
72 H VAL 10 HN VAL 10 0.627 6.831 4.516
73 HA VAL 10 HA VAL 10 1.241 8.530 6.843
74 HB VAL 10 HB VAL 10 0.264 10.480 5.652
75 HG11 VAL 10 HG11 VAL 10 2.680 10.193 5.783
76 HG12 VAL 10 HG12 VAL 10 2.221 10.938 4.251
77 HG13 VAL 10 HG13 VAL 10 2.658 9.229 4.307
78 HG21 VAL 10 HG21 VAL 10 0.406 8.690 3.231
79 HG22 VAL 10 HG22 VAL 10 0.036 10.414 3.221
80 HG23 VAL 10 HG23 VAL 10 -1.067 9.280 4.001
81 HA PRO 11 HA PRO 11 -2.955 8.041 8.290
82 HB2 PRO 11 HB2 PRO 11 -3.615 10.677 8.793
83 HB3 PRO 11 HB1 PRO 11 -2.711 9.635 9.901
84 HG2 PRO 11 HG2 PRO 11 -1.721 11.700 7.989
85 HG3 PRO 11 HG1 PRO 11 -1.148 11.317 9.623
86 HD2 PRO 11 HD2 PRO 11 0.185 10.511 7.442
87 HD3 PRO 11 HD1 PRO 11 0.086 9.500 8.899
88 H ARG 12 HN ARG 12 -5.187 8.484 7.767
89 HA ARG 12 HA ARG 12 -5.552 9.323 5.041
90 HB2 ARG 12 HB2 ARG 12 -7.804 8.603 5.177
91 HB3 ARG 12 HB1 ARG 12 -6.855 7.407 6.037
92 HG2 ARG 12 HG2 ARG 12 -8.215 9.616 7.519
93 HG3 ARG 12 HG1 ARG 12 -9.118 8.191 7.002
94 HD2 ARG 12 HD2 ARG 12 -8.480 7.412 9.023
95 HD3 ARG 12 HD1 ARG 12 -7.009 6.996 8.149
96 HE ARG 12 HE ARG 12 -6.574 9.540 9.071
97 HH11 ARG 12 HH11 ARG 12 -7.510 6.513 10.544
98 HH12 ARG 12 HH12 ARG 12 -6.712 6.833 12.051
99 HH21 ARG 12 HH21 ARG 12 -5.539 10.002 11.061
100 HH22 ARG 12 HH22 ARG 12 -5.606 8.840 12.354
101 H SER 13 HN SER 13 -5.517 11.319 4.589
102 HA SER 13 HA SER 13 -7.192 13.330 5.580
103 HB2 SER 13 HB2 SER 13 -5.683 13.072 7.596
104 HB3 SER 13 HB1 SER 13 -4.328 13.541 6.572
105 HG SER 13 HG SER 13 -6.225 15.367 6.253
106 H ALA 14 HN ALA 14 -4.061 12.457 4.276
107 HA ALA 14 HA ALA 14 -3.854 14.598 2.433
108 HB1 ALA 14 HB1 ALA 14 -1.925 13.315 3.183
109 HB2 ALA 14 HB2 ALA 14 -2.101 13.206 1.437
110 HB3 ALA 14 HB3 ALA 14 -2.593 11.857 2.450
111 H SER 15 HN SER 15 -4.319 14.613 0.223
112 HA SER 15 HA SER 15 -6.707 13.261 -0.526
113 HB2 SER 15 HB2 SER 15 -6.117 15.528 -1.332
114 HB3 SER 15 HB1 SER 15 -4.789 14.837 -2.262
115 HG SER 15 HG SER 15 -6.235 14.628 -3.773
116 H ALA 16 HN ALA 16 -6.909 12.078 -2.621
117 HA ALA 16 HA ALA 16 -5.644 9.629 -2.520
118 HB1 ALA 16 HB1 ALA 16 -6.585 9.179 -4.706
119 HB2 ALA 16 HB2 ALA 16 -6.857 10.901 -4.955
120 HB3 ALA 16 HB3 ALA 16 -7.747 10.045 -3.700
121 H ASP 17 HN ASP 17 -4.635 12.521 -4.151
122 HA ASP 17 HA ASP 17 -2.735 11.532 -5.940
123 HB2 ASP 17 HB2 ASP 17 -2.519 14.070 -4.313
124 HB3 ASP 17 HB1 ASP 17 -1.751 13.741 -5.859
125 H ASP 18 HN ASP 18 -2.470 12.431 -2.552
126 HA ASP 18 HA ASP 18 0.324 11.982 -2.309
127 HB2 ASP 18 HB2 ASP 18 -1.308 13.328 -0.778
128 HB3 ASP 18 HB1 ASP 18 -1.574 11.765 -0.006
129 H ILE 19 HN ILE 19 -2.543 10.020 -1.792
130 HA ILE 19 HA ILE 19 -1.396 7.785 -0.582
131 HB ILE 19 HB ILE 19 -3.774 8.106 -2.376
132 HG12 ILE 19 HG12 ILE 19 -4.845 7.075 -0.271
133 HG13 ILE 19 HG11 ILE 19 -3.308 7.432 0.507
134 HG21 ILE 19 HG21 ILE 19 -2.806 5.944 -3.001
135 HG22 ILE 19 HG22 ILE 19 -4.343 5.762 -2.160
136 HG23 ILE 19 HG23 ILE 19 -2.831 5.450 -1.308
137 HD11 ILE 19 HD11 ILE 19 -5.400 9.271 -0.501
138 HD12 ILE 19 HD12 ILE 19 -3.719 9.797 -0.515
139 HD13 ILE 19 HD13 ILE 19 -4.480 9.316 1.006
140 H LYS 20 HN LYS 20 -1.781 8.487 -4.057
141 HA LYS 20 HA LYS 20 -0.468 6.143 -4.955
142 HB2 LYS 20 HB2 LYS 20 -1.927 7.497 -6.407
143 HB3 LYS 20 HB1 LYS 20 -0.771 8.819 -6.338
144 HG2 LYS 20 HG2 LYS 20 0.899 7.389 -7.444
145 HG3 LYS 20 HG1 LYS 20 -0.305 6.105 -7.561
146 HD2 LYS 20 HD2 LYS 20 -0.634 8.855 -8.752
147 HD3 LYS 20 HD1 LYS 20 -0.034 7.457 -9.642
148 HE2 LYS 20 HE2 LYS 20 -2.713 7.564 -8.267
149 HE3 LYS 20 HE1 LYS 20 -2.462 7.935 -9.971
150 HZ1 LYS 20 HZ1 LYS 20 -1.751 5.333 -8.725
151 HZ2 LYS 20 HZ2 LYS 20 -1.739 5.711 -10.371
152 HZ3 LYS 20 HZ3 LYS 20 -3.210 5.627 -9.533
153 H LYS 21 HN LYS 21 0.638 9.382 -4.149
154 HA LYS 21 HA LYS 21 3.302 9.041 -5.042
155 HB2 LYS 21 HB2 LYS 21 1.787 11.166 -4.206
156 HB3 LYS 21 HB1 LYS 21 2.882 10.947 -2.846
157 HG2 LYS 21 HG2 LYS 21 3.809 11.174 -5.695
158 HG3 LYS 21 HG1 LYS 21 3.652 12.552 -4.603
159 HD2 LYS 21 HD2 LYS 21 5.429 11.904 -3.314
160 HD3 LYS 21 HD1 LYS 21 5.202 10.191 -3.677
161 HE2 LYS 21 HE2 LYS 21 6.199 10.384 -5.775
162 HE3 LYS 21 HE1 LYS 21 6.081 12.145 -5.772
163 HZ1 LYS 21 HZ1 LYS 21 8.348 11.242 -5.346
164 HZ2 LYS 21 HZ2 LYS 21 7.788 10.624 -3.874
165 HZ3 LYS 21 HZ3 LYS 21 7.778 12.295 -4.148
166 H ALA 22 HN ALA 22 1.672 8.502 -1.955
167 HA ALA 22 HA ALA 22 3.961 7.945 -0.414
168 HB1 ALA 22 HB1 ALA 22 2.492 6.969 1.198
169 HB2 ALA 22 HB2 ALA 22 1.225 6.728 0.000
170 HB3 ALA 22 HB3 ALA 22 1.668 8.360 0.497
171 H TYR 23 HN TYR 23 1.975 5.938 -2.507
172 HA TYR 23 HA TYR 23 3.283 3.493 -2.010
173 HB2 TYR 23 HB2 TYR 23 1.329 3.164 -3.168
174 HB3 TYR 23 HB1 TYR 23 1.549 4.591 -4.177
175 HD1 TYR 23 HD2 TYR 23 2.711 1.099 -3.681
176 HD2 TYR 23 HD1 TYR 23 2.429 4.396 -6.348
177 HE1 TYR 23 HE2 TYR 23 3.493 -0.333 -5.520
178 HE2 TYR 23 HE1 TYR 23 3.205 2.976 -8.199
179 HH TYR 23 HH TYR 23 4.528 0.890 -8.497
180 H ARG 24 HN ARG 24 3.849 6.031 -4.429
181 HA ARG 24 HA ARG 24 6.004 4.732 -5.691
182 HB2 ARG 24 HB2 ARG 24 5.325 7.679 -5.576
183 HB3 ARG 24 HB1 ARG 24 6.562 6.977 -6.611
184 HG2 ARG 24 HG2 ARG 24 4.895 5.677 -7.776
185 HG3 ARG 24 HG1 ARG 24 3.638 6.283 -6.693
186 HD2 ARG 24 HD2 ARG 24 3.543 7.562 -8.717
187 HD3 ARG 24 HD1 ARG 24 4.209 8.582 -7.437
188 HE ARG 24 HE ARG 24 6.392 7.463 -8.674
189 HH11 ARG 24 HH11 ARG 24 3.675 9.417 -9.718
190 HH12 ARG 24 HH12 ARG 24 4.577 10.241 -10.956
191 HH21 ARG 24 HH21 ARG 24 7.588 8.562 -10.278
192 HH22 ARG 24 HH22 ARG 24 6.803 9.754 -11.270
193 H ARG 25 HN ARG 25 5.917 7.102 -3.043
194 HA ARG 25 HA ARG 25 8.720 7.441 -2.931
195 HB2 ARG 25 HB2 ARG 25 8.393 8.619 -0.886
196 HB3 ARG 25 HB1 ARG 25 7.005 8.990 -1.896
197 HG2 ARG 25 HG2 ARG 25 5.635 7.444 -0.644
198 HG3 ARG 25 HG1 ARG 25 7.030 6.943 0.311
199 HD2 ARG 25 HD2 ARG 25 5.842 8.462 1.663
200 HD3 ARG 25 HD1 ARG 25 7.230 9.353 1.046
201 HE ARG 25 HE ARG 25 5.687 10.389 -0.569
202 HH11 ARG 25 HH11 ARG 25 4.411 8.937 2.369
203 HH12 ARG 25 HH12 ARG 25 2.931 9.851 2.313
204 HH21 ARG 25 HH21 ARG 25 3.733 11.610 -0.611
205 HH22 ARG 25 HH22 ARG 25 2.529 11.346 0.621
206 H LYS 26 HN LYS 26 6.529 5.221 -1.286
207 HA LYS 26 HA LYS 26 8.539 4.052 0.346
208 HB2 LYS 26 HB2 LYS 26 6.164 3.972 0.914
209 HB3 LYS 26 HB1 LYS 26 5.842 3.009 -0.521
210 HG2 LYS 26 HG2 LYS 26 7.057 1.169 0.348
211 HG3 LYS 26 HG1 LYS 26 7.652 2.128 1.709
212 HD2 LYS 26 HD2 LYS 26 4.757 1.522 1.158
213 HD3 LYS 26 HD1 LYS 26 5.760 0.635 2.314
214 HE2 LYS 26 HE2 LYS 26 5.072 3.576 2.415
215 HE3 LYS 26 HE1 LYS 26 4.407 2.316 3.452
216 HZ1 LYS 26 HZ1 LYS 26 6.189 3.600 4.521
217 HZ2 LYS 26 HZ2 LYS 26 7.279 3.066 3.343
218 HZ3 LYS 26 HZ3 LYS 26 6.571 1.953 4.402
219 H ALA 27 HN ALA 27 7.149 3.304 -2.793
220 HA ALA 27 HA ALA 27 8.396 0.907 -3.371
221 HB1 ALA 27 HB1 ALA 27 8.061 3.147 -5.357
222 HB2 ALA 27 HB2 ALA 27 6.733 2.134 -4.800
223 HB3 ALA 27 HB3 ALA 27 8.083 1.412 -5.676
224 H LEU 28 HN LEU 28 9.683 4.203 -3.803
225 HA LEU 28 HA LEU 28 12.258 3.319 -4.676
226 HB2 LEU 28 HB2 LEU 28 11.084 5.916 -3.820
227 HB3 LEU 28 HB1 LEU 28 12.832 5.773 -3.843
228 HG LEU 28 HG LEU 28 12.651 5.088 -6.258
229 HD11 LEU 28 HD11 LEU 28 9.862 6.178 -6.127
230 HD12 LEU 28 HD12 LEU 28 10.199 4.458 -5.976
231 HD13 LEU 28 HD13 LEU 28 10.651 5.315 -7.451
232 HD21 LEU 28 HD21 LEU 28 11.578 7.798 -5.489
233 HD22 LEU 28 HD22 LEU 28 12.251 7.374 -7.063
234 HD23 LEU 28 HD23 LEU 28 13.277 7.348 -5.628
235 H GLN 29 HN GLN 29 10.833 4.067 -1.592
236 HA GLN 29 HA GLN 29 13.125 4.156 0.020
237 HB2 GLN 29 HB2 GLN 29 11.021 4.955 0.831
238 HB3 GLN 29 HB1 GLN 29 10.257 3.398 0.571
239 HG2 GLN 29 HG2 GLN 29 11.645 2.445 2.360
240 HG3 GLN 29 HG1 GLN 29 12.345 4.041 2.639
241 HE21 GLN 29 HE21 GLN 29 11.096 5.637 3.593
242 HE22 GLN 29 HE22 GLN 29 9.599 5.299 4.397
243 H TRP 30 HN TRP 30 11.156 1.439 -1.090
244 HA TRP 30 HA TRP 30 13.076 -0.399 0.182
245 HB2 TRP 30 HB2 TRP 30 10.204 -0.873 -0.635
246 HB3 TRP 30 HB1 TRP 30 11.293 -2.133 -0.055
247 HD1 TRP 30 HD1 TRP 30 9.177 0.778 1.149
248 HE1 TRP 30 HE1 TRP 30 9.117 0.764 3.723
249 HE3 TRP 30 HE3 TRP 30 12.714 -2.804 2.021
250 HZ2 TRP 30 HZ2 TRP 30 10.397 -0.589 5.840
251 HZ3 TRP 30 HZ3 TRP 30 13.239 -3.404 4.350
252 HH2 TRP 30 HH2 TRP 30 12.103 -2.317 6.217
253 H HIS 31 HN HIS 31 13.106 1.058 -2.466
254 HA HIS 31 HA HIS 31 12.925 -0.936 -4.507
255 HB2 HIS 31 HB2 HIS 31 12.820 1.649 -4.723
256 HB3 HIS 31 HB1 HIS 31 14.575 1.594 -4.646
257 HD1 HIS 31 HD1 HIS 31 11.701 0.438 -6.818
258 HD2 HIS 31 HD2 HIS 31 15.818 0.993 -7.015
259 HE1 HIS 31 HE1 HIS 31 12.317 0.092 -9.228
260 HE2 HIS 31 HE2 HIS 31 14.837 0.214 -9.274
261 HA PRO 32 HA PRO 32 16.502 -3.342 -3.845
262 HB2 PRO 32 HB2 PRO 32 17.463 -3.526 -6.450
263 HB3 PRO 32 HB1 PRO 32 16.218 -4.554 -5.735
264 HG2 PRO 32 HG2 PRO 32 15.914 -2.116 -7.438
265 HG3 PRO 32 HG1 PRO 32 15.006 -3.636 -7.487
266 HD2 PRO 32 HD2 PRO 32 13.932 -1.495 -6.361
267 HD3 PRO 32 HD1 PRO 32 13.755 -3.085 -5.584
268 H ASP 33 HN ASP 33 16.946 -0.421 -5.750
269 HA ASP 33 HA ASP 33 19.779 -0.335 -5.578
270 HB2 ASP 33 HB2 ASP 33 19.634 1.837 -6.456
271 HB3 ASP 33 HB1 ASP 33 18.196 1.050 -7.098
272 H LYS 34 HN LYS 34 17.233 0.373 -3.378
273 HA LYS 34 HA LYS 34 19.039 1.840 -1.584
274 HB2 LYS 34 HB2 LYS 34 16.558 2.536 -2.485
275 HB3 LYS 34 HB1 LYS 34 16.161 1.758 -0.961
276 HG2 LYS 34 HG2 LYS 34 16.395 4.054 -0.502
277 HG3 LYS 34 HG1 LYS 34 17.849 3.273 0.127
278 HD2 LYS 34 HD2 LYS 34 18.786 5.050 -0.981
279 HD3 LYS 34 HD1 LYS 34 18.784 3.838 -2.264
280 HE2 LYS 34 HE2 LYS 34 16.622 5.905 -1.867
281 HE3 LYS 34 HE1 LYS 34 17.976 6.090 -2.976
282 HZ1 LYS 34 HZ1 LYS 34 16.029 5.339 -4.145
283 HZ2 LYS 34 HZ2 LYS 34 15.870 3.998 -3.121
284 HZ3 LYS 34 HZ3 LYS 34 17.201 4.111 -4.167
285 H ASN 35 HN ASN 35 18.102 -1.237 -2.046
286 HA ASN 35 HA ASN 35 17.533 -1.770 0.785
287 HB2 ASN 35 HB2 ASN 35 16.199 -3.505 0.167
288 HB3 ASN 35 HB1 ASN 35 16.126 -2.640 -1.364
289 HD21 ASN 35 HD21 ASN 35 17.213 -5.443 0.290
290 HD22 ASN 35 HD22 ASN 35 17.869 -6.269 -1.082
291 HA PRO 36 HA PRO 36 21.566 -3.566 1.087
292 HB2 PRO 36 HB2 PRO 36 21.459 -4.373 3.616
293 HB3 PRO 36 HB1 PRO 36 21.353 -2.653 3.217
294 HG2 PRO 36 HG2 PRO 36 19.176 -4.575 3.931
295 HG3 PRO 36 HG1 PRO 36 19.397 -2.893 4.450
296 HD2 PRO 36 HD2 PRO 36 17.725 -3.726 2.391
297 HD3 PRO 36 HD1 PRO 36 18.345 -2.076 2.596
298 H ASP 37 HN ASP 37 21.001 -5.803 3.390
299 HA ASP 37 HA ASP 37 21.261 -7.984 1.491
300 HB2 ASP 37 HB2 ASP 37 21.473 -7.866 4.494
301 HB3 ASP 37 HB1 ASP 37 21.629 -9.358 3.578
302 H ASN 38 HN ASN 38 18.749 -6.459 3.026
303 HA ASN 38 HA ASN 38 17.117 -8.890 3.167
304 HB2 ASN 38 HB2 ASN 38 16.685 -6.127 4.318
305 HB3 ASN 38 HB1 ASN 38 15.447 -7.375 4.323
306 HD21 ASN 38 HD21 ASN 38 18.376 -6.251 5.753
307 HD22 ASN 38 HD22 ASN 38 18.468 -7.438 7.011
308 H LYS 39 HN LYS 39 16.346 -9.324 1.195
309 HA LYS 39 HA LYS 39 15.333 -7.121 -0.459
310 HB2 LYS 39 HB2 LYS 39 15.712 -10.043 -1.153
311 HB3 LYS 39 HB1 LYS 39 15.199 -8.790 -2.268
312 HG2 LYS 39 HG2 LYS 39 17.440 -9.112 -2.766
313 HG3 LYS 39 HG1 LYS 39 17.445 -7.673 -1.746
314 HD2 LYS 39 HD2 LYS 39 18.164 -8.942 0.151
315 HD3 LYS 39 HD1 LYS 39 17.938 -10.463 -0.715
316 HE2 LYS 39 HE2 LYS 39 19.912 -8.316 -1.467
317 HE3 LYS 39 HE1 LYS 39 20.304 -9.777 -0.563
318 HZ1 LYS 39 HZ1 LYS 39 19.244 -9.676 -3.338
319 HZ2 LYS 39 HZ2 LYS 39 19.562 -11.093 -2.468
320 HZ3 LYS 39 HZ3 LYS 39 20.833 -10.050 -2.887
321 H GLU 40 HN GLU 40 14.380 -9.924 1.332
322 HA GLU 40 HA GLU 40 11.857 -10.389 0.198
323 HB2 GLU 40 HB2 GLU 40 13.164 -11.902 1.752
324 HB3 GLU 40 HB1 GLU 40 12.640 -10.878 3.077
325 HG2 GLU 40 HG2 GLU 40 10.691 -12.243 1.250
326 HG3 GLU 40 HG1 GLU 40 11.359 -13.032 2.675
327 H PHE 41 HN PHE 41 12.824 -8.412 2.970
328 HA PHE 41 HA PHE 41 10.231 -7.531 3.619
329 HB2 PHE 41 HB2 PHE 41 12.912 -6.256 4.179
330 HB3 PHE 41 HB1 PHE 41 11.389 -5.769 4.920
331 HD1 PHE 41 HD1 PHE 41 10.091 -7.589 6.184
332 HD2 PHE 41 HD2 PHE 41 14.210 -7.893 5.177
333 HE1 PHE 41 HE1 PHE 41 10.386 -9.292 7.926
334 HE2 PHE 41 HE2 PHE 41 14.514 -9.598 6.924
335 HZ PHE 41 HZ PHE 41 12.599 -10.300 8.301
336 H ALA 42 HN ALA 42 12.680 -6.279 1.430
337 HA ALA 42 HA ALA 42 11.442 -3.764 0.992
338 HB1 ALA 42 HB1 ALA 42 13.461 -5.324 -0.608
339 HB2 ALA 42 HB2 ALA 42 13.755 -3.966 0.480
340 HB3 ALA 42 HB3 ALA 42 12.915 -3.707 -1.046
341 H GLU 43 HN GLU 43 11.400 -6.827 -0.835
342 HA GLU 43 HA GLU 43 9.591 -5.828 -2.789
343 HB2 GLU 43 HB2 GLU 43 9.324 -8.152 -3.516
344 HB3 GLU 43 HB1 GLU 43 11.012 -7.704 -3.342
345 HG2 GLU 43 HG2 GLU 43 11.127 -8.891 -1.226
346 HG3 GLU 43 HG1 GLU 43 9.418 -9.309 -1.362
347 H LYS 44 HN LYS 44 9.203 -7.509 0.277
348 HA LYS 44 HA LYS 44 6.490 -8.160 0.103
349 HB2 LYS 44 HB2 LYS 44 7.893 -9.042 1.835
350 HB3 LYS 44 HB1 LYS 44 8.294 -7.433 2.406
351 HG2 LYS 44 HG2 LYS 44 5.644 -7.366 2.752
352 HG3 LYS 44 HG1 LYS 44 5.932 -9.103 2.940
353 HD2 LYS 44 HD2 LYS 44 7.463 -6.950 4.366
354 HD3 LYS 44 HD1 LYS 44 6.093 -7.820 5.071
355 HE2 LYS 44 HE2 LYS 44 8.733 -8.989 4.179
356 HE3 LYS 44 HE1 LYS 44 8.192 -8.766 5.842
357 HZ1 LYS 44 HZ1 LYS 44 6.314 -10.304 5.289
358 HZ2 LYS 44 HZ2 LYS 44 7.850 -11.019 5.297
359 HZ3 LYS 44 HZ3 LYS 44 7.104 -10.641 3.826
360 H LYS 45 HN LYS 45 8.143 -5.226 1.226
361 HA LYS 45 HA LYS 45 5.773 -3.852 1.961
362 HB2 LYS 45 HB2 LYS 45 8.594 -2.972 1.437
363 HB3 LYS 45 HB1 LYS 45 7.317 -1.801 1.751
364 HG2 LYS 45 HG2 LYS 45 8.263 -3.999 3.568
365 HG3 LYS 45 HG1 LYS 45 8.418 -2.258 3.813
366 HD2 LYS 45 HD2 LYS 45 5.954 -2.095 3.857
367 HD3 LYS 45 HD1 LYS 45 5.873 -3.842 3.710
368 HE2 LYS 45 HE2 LYS 45 6.975 -4.123 5.827
369 HE3 LYS 45 HE1 LYS 45 7.207 -2.381 5.977
370 HZ1 LYS 45 HZ1 LYS 45 4.502 -3.518 5.660
371 HZ2 LYS 45 HZ2 LYS 45 4.963 -2.031 6.342
372 HZ3 LYS 45 HZ3 LYS 45 5.240 -3.474 7.186
373 H PHE 46 HN PHE 46 7.723 -3.955 -0.963
374 HA PHE 46 HA PHE 46 6.351 -1.956 -2.396
375 HB2 PHE 46 HB2 PHE 46 8.513 -2.842 -3.130
376 HB3 PHE 46 HB1 PHE 46 7.787 -4.420 -3.415
377 HD1 PHE 46 HD2 PHE 46 7.589 -0.867 -4.485
378 HD2 PHE 46 HD1 PHE 46 6.933 -4.945 -5.510
379 HE1 PHE 46 HE2 PHE 46 7.065 -0.200 -6.793
380 HE2 PHE 46 HE1 PHE 46 6.406 -4.284 -7.821
381 HZ PHE 46 HZ PHE 46 6.471 -1.909 -8.463
382 H LYS 47 HN LYS 47 5.798 -5.426 -2.071
383 HA LYS 47 HA LYS 47 3.675 -5.558 -3.936
384 HB2 LYS 47 HB2 LYS 47 4.610 -7.386 -1.742
385 HB3 LYS 47 HB1 LYS 47 3.168 -7.747 -2.681
386 HG2 LYS 47 HG2 LYS 47 4.453 -7.772 -4.723
387 HG3 LYS 47 HG1 LYS 47 5.906 -7.298 -3.845
388 HD2 LYS 47 HD2 LYS 47 4.389 -9.793 -3.154
389 HD3 LYS 47 HD1 LYS 47 5.606 -9.780 -4.432
390 HE2 LYS 47 HE2 LYS 47 7.244 -8.907 -2.771
391 HE3 LYS 47 HE1 LYS 47 6.015 -9.100 -1.523
392 HZ1 LYS 47 HZ1 LYS 47 7.589 -10.973 -1.638
393 HZ2 LYS 47 HZ2 LYS 47 7.050 -11.314 -3.211
394 HZ3 LYS 47 HZ3 LYS 47 5.984 -11.451 -1.900
395 H GLU 48 HN GLU 48 3.722 -5.181 -0.396
396 HA GLU 48 HA GLU 48 0.883 -5.317 -0.197
397 HB2 GLU 48 HB2 GLU 48 1.157 -4.620 2.130
398 HB3 GLU 48 HB1 GLU 48 2.253 -5.926 1.708
399 HG2 GLU 48 HG2 GLU 48 4.083 -4.338 1.508
400 HG3 GLU 48 HG1 GLU 48 2.986 -3.016 1.912
401 H VAL 49 HN VAL 49 3.162 -2.597 -0.465
402 HA VAL 49 HA VAL 49 1.173 -0.622 -0.006
403 HB VAL 49 HB VAL 49 3.522 0.006 0.152
404 HG11 VAL 49 HG11 VAL 49 3.677 -0.283 -2.845
405 HG12 VAL 49 HG12 VAL 49 4.350 -1.442 -1.701
406 HG13 VAL 49 HG13 VAL 49 4.972 0.208 -1.751
407 HG21 VAL 49 HG21 VAL 49 3.382 2.123 -0.841
408 HG22 VAL 49 HG22 VAL 49 1.713 1.644 -0.531
409 HG23 VAL 49 HG23 VAL 49 2.373 1.526 -2.156
410 H ALA 50 HN ALA 50 2.298 -2.295 -2.896
411 HA ALA 50 HA ALA 50 0.915 -0.769 -4.784
412 HB1 ALA 50 HB1 ALA 50 1.155 -2.672 -6.277
413 HB2 ALA 50 HB2 ALA 50 1.628 -3.660 -4.904
414 HB3 ALA 50 HB3 ALA 50 2.653 -2.327 -5.411
415 H GLU 51 HN GLU 51 -0.104 -3.664 -2.981
416 HA GLU 51 HA GLU 51 -2.637 -3.801 -4.291
417 HB2 GLU 51 HB2 GLU 51 -3.215 -5.494 -2.640
418 HB3 GLU 51 HB1 GLU 51 -1.611 -5.790 -3.295
419 HG2 GLU 51 HG2 GLU 51 -0.595 -4.892 -1.297
420 HG3 GLU 51 HG1 GLU 51 -2.175 -4.463 -0.654
421 H ALA 52 HN ALA 52 -1.484 -2.422 -1.275
422 HA ALA 52 HA ALA 52 -4.067 -1.896 -0.208
423 HB1 ALA 52 HB1 ALA 52 -1.938 -2.227 1.079
424 HB2 ALA 52 HB2 ALA 52 -2.930 -0.853 1.584
425 HB3 ALA 52 HB3 ALA 52 -1.486 -0.586 0.603
426 H TYR 53 HN TYR 53 -1.670 0.064 -1.919
427 HA TYR 53 HA TYR 53 -3.204 2.456 -1.835
428 HB2 TYR 53 HB2 TYR 53 -1.254 3.267 -2.573
429 HB3 TYR 53 HB1 TYR 53 -0.649 1.637 -2.828
430 HD1 TYR 53 HD2 TYR 53 -2.166 4.571 -4.413
431 HD2 TYR 53 HD1 TYR 53 -0.632 0.655 -5.054
432 HE1 TYR 53 HE2 TYR 53 -2.103 4.999 -6.831
433 HE2 TYR 53 HE1 TYR 53 -0.566 1.074 -7.477
434 HH TYR 53 HH TYR 53 -1.741 2.559 -9.115
435 H GLU 54 HN GLU 54 -3.044 -0.317 -3.951
436 HA GLU 54 HA GLU 54 -4.511 0.649 -6.127
437 HB2 GLU 54 HB2 GLU 54 -3.259 -1.473 -6.141
438 HB3 GLU 54 HB1 GLU 54 -4.416 -2.161 -5.013
439 HG2 GLU 54 HG2 GLU 54 -6.188 -1.808 -6.732
440 HG3 GLU 54 HG1 GLU 54 -4.920 -1.321 -7.856
441 H VAL 55 HN VAL 55 -5.626 -1.114 -3.224
442 HA VAL 55 HA VAL 55 -8.344 -1.059 -4.013
443 HB VAL 55 HB VAL 55 -8.821 -1.546 -1.548
444 HG11 VAL 55 HG11 VAL 55 -7.144 -3.335 -3.283
445 HG12 VAL 55 HG12 VAL 55 -8.901 -3.309 -3.100
446 HG13 VAL 55 HG13 VAL 55 -7.884 -3.876 -1.776
447 HG21 VAL 55 HG21 VAL 55 -6.770 -0.640 -0.606
448 HG22 VAL 55 HG22 VAL 55 -5.821 -1.826 -1.500
449 HG23 VAL 55 HG23 VAL 55 -6.925 -2.356 -0.233
450 H LEU 56 HN LEU 56 -6.438 1.114 -1.937
451 HA LEU 56 HA LEU 56 -8.773 2.493 -1.053
452 HB2 LEU 56 HB2 LEU 56 -6.677 2.451 0.255
453 HB3 LEU 56 HB1 LEU 56 -5.918 3.448 -0.974
454 HG LEU 56 HG LEU 56 -7.692 5.189 -0.503
455 HD11 LEU 56 HD11 LEU 56 -8.860 5.066 1.623
456 HD12 LEU 56 HD12 LEU 56 -8.183 3.466 1.915
457 HD13 LEU 56 HD13 LEU 56 -9.308 3.715 0.581
458 HD21 LEU 56 HD21 LEU 56 -5.366 5.273 0.362
459 HD22 LEU 56 HD22 LEU 56 -5.954 4.515 1.842
460 HD23 LEU 56 HD23 LEU 56 -6.551 6.103 1.369
461 H SER 57 HN SER 57 -6.658 2.869 -3.793
462 HA SER 57 HA SER 57 -7.475 5.572 -4.327
463 HB2 SER 57 HB2 SER 57 -5.262 4.733 -5.041
464 HB3 SER 57 HB1 SER 57 -6.047 3.579 -6.117
465 HG SER 57 HG SER 57 -6.985 6.060 -6.584
466 H ASP 58 HN ASP 58 -8.708 2.433 -5.000
467 HA ASP 58 HA ASP 58 -10.577 3.594 -6.967
468 HB2 ASP 58 HB2 ASP 58 -9.093 1.706 -7.773
469 HB3 ASP 58 HB1 ASP 58 -9.948 0.657 -6.646
470 H LYS 59 HN LYS 59 -12.623 3.735 -6.365
471 HA LYS 59 HA LYS 59 -13.224 3.330 -3.629
472 HB2 LYS 59 HB2 LYS 59 -15.144 4.037 -5.853
473 HB3 LYS 59 HB1 LYS 59 -15.389 4.292 -4.131
474 HG2 LYS 59 HG2 LYS 59 -14.725 6.380 -4.647
475 HG3 LYS 59 HG1 LYS 59 -13.118 5.676 -4.459
476 HD2 LYS 59 HD2 LYS 59 -13.125 5.214 -6.926
477 HD3 LYS 59 HD1 LYS 59 -14.633 6.120 -7.030
478 HE2 LYS 59 HE2 LYS 59 -12.832 7.582 -7.619
479 HE3 LYS 59 HE1 LYS 59 -13.468 8.077 -6.052
480 HZ1 LYS 59 HZ1 LYS 59 -11.113 8.131 -5.944
481 HZ2 LYS 59 HZ2 LYS 59 -10.966 6.569 -6.581
482 HZ3 LYS 59 HZ3 LYS 59 -11.610 6.791 -5.027
483 H HIS 60 HN HIS 60 -14.050 1.640 -6.580
484 HA HIS 60 HA HIS 60 -15.963 -0.103 -5.391
485 HB2 HIS 60 HB2 HIS 60 -15.813 0.309 -7.842
486 HB3 HIS 60 HB1 HIS 60 -14.303 -0.595 -7.870
487 HD1 HIS 60 HD1 HIS 60 -14.546 -2.992 -8.445
488 HD2 HIS 60 HD2 HIS 60 -18.043 -1.429 -6.818
489 HE1 HIS 60 HE1 HIS 60 -16.232 -4.852 -8.549
490 HE2 HIS 60 HE2 HIS 60 -18.282 -3.946 -7.397
491 H LYS 61 HN LYS 61 -12.479 -0.378 -6.039
492 HA LYS 61 HA LYS 61 -12.155 -3.013 -5.185
493 HB2 LYS 61 HB2 LYS 61 -10.167 -0.764 -4.938
494 HB3 LYS 61 HB1 LYS 61 -9.797 -2.481 -4.897
495 HG2 LYS 61 HG2 LYS 61 -11.183 -2.165 -7.259
496 HG3 LYS 61 HG1 LYS 61 -10.182 -0.715 -7.156
497 HD2 LYS 61 HD2 LYS 61 -8.964 -2.439 -8.320
498 HD3 LYS 61 HD1 LYS 61 -8.214 -2.166 -6.744
499 HE2 LYS 61 HE2 LYS 61 -9.151 -4.134 -5.847
500 HE3 LYS 61 HE1 LYS 61 -10.269 -4.303 -7.201
501 HZ1 LYS 61 HZ1 LYS 61 -8.444 -5.870 -7.374
502 HZ2 LYS 61 HZ2 LYS 61 -7.308 -4.604 -7.325
503 HZ3 LYS 61 HZ3 LYS 61 -8.367 -4.747 -8.645
504 H ARG 62 HN ARG 62 -12.366 -0.029 -3.316
505 HA ARG 62 HA ARG 62 -11.322 -1.001 -0.900
506 HB2 ARG 62 HB2 ARG 62 -13.582 0.992 -1.146
507 HB3 ARG 62 HB1 ARG 62 -12.500 0.793 0.220
508 HG2 ARG 62 HG2 ARG 62 -10.670 1.375 -1.577
509 HG3 ARG 62 HG1 ARG 62 -12.048 2.126 -2.388
510 HD2 ARG 62 HD2 ARG 62 -10.923 2.730 0.332
511 HD3 ARG 62 HD1 ARG 62 -11.077 3.814 -1.049
512 HE ARG 62 HE ARG 62 -13.443 3.916 -0.652
513 HH11 ARG 62 HH11 ARG 62 -11.599 2.281 1.845
514 HH12 ARG 62 HH12 ARG 62 -12.817 2.483 3.064
515 HH21 ARG 62 HH21 ARG 62 -15.035 4.221 0.972
516 HH22 ARG 62 HH22 ARG 62 -14.765 3.585 2.569
517 H GLU 63 HN GLU 63 -14.640 -0.990 -2.148
518 HA GLU 63 HA GLU 63 -15.708 -2.144 0.224
519 HB2 GLU 63 HB2 GLU 63 -17.805 -2.291 -0.957
520 HB3 GLU 63 HB1 GLU 63 -17.062 -0.731 -1.269
521 HG2 GLU 63 HG2 GLU 63 -16.334 -1.488 -3.449
522 HG3 GLU 63 HG1 GLU 63 -17.011 -3.086 -3.136
523 H ILE 64 HN ILE 64 -14.443 -3.412 -2.782
524 HA ILE 64 HA ILE 64 -15.366 -6.071 -2.506
525 HB ILE 64 HB ILE 64 -12.806 -5.073 -3.784
526 HG12 ILE 64 HG12 ILE 64 -14.837 -4.121 -4.800
527 HG13 ILE 64 HG11 ILE 64 -14.030 -5.235 -5.898
528 HG21 ILE 64 HG21 ILE 64 -14.204 -7.717 -4.171
529 HG22 ILE 64 HG22 ILE 64 -12.743 -7.479 -3.214
530 HG23 ILE 64 HG23 ILE 64 -12.715 -7.188 -4.955
531 HD11 ILE 64 HD11 ILE 64 -16.429 -5.521 -5.980
532 HD12 ILE 64 HD12 ILE 64 -16.468 -5.839 -4.245
533 HD13 ILE 64 HD13 ILE 64 -15.654 -6.966 -5.330
534 H TYR 65 HN TYR 65 -12.588 -4.327 -1.255
535 HA TYR 65 HA TYR 65 -11.284 -6.512 -0.053
536 HB2 TYR 65 HB2 TYR 65 -10.364 -4.200 -0.518
537 HB3 TYR 65 HB1 TYR 65 -11.212 -3.663 0.927
538 HD1 TYR 65 HD1 TYR 65 -8.578 -5.955 -0.308
539 HD2 TYR 65 HD2 TYR 65 -10.261 -4.005 3.077
540 HE1 TYR 65 HE1 TYR 65 -6.631 -6.626 1.034
541 HE2 TYR 65 HE2 TYR 65 -8.317 -4.673 4.433
542 HH TYR 65 HH TYR 65 -5.452 -5.939 3.038
543 H ASP 66 HN ASP 66 -13.768 -4.267 1.106
544 HA ASP 66 HA ASP 66 -13.800 -5.298 3.766
545 HB2 ASP 66 HB2 ASP 66 -15.640 -3.497 2.222
546 HB3 ASP 66 HB1 ASP 66 -16.109 -4.106 3.803
547 H ARG 67 HN ARG 67 -15.884 -5.868 0.906
548 HA ARG 67 HA ARG 67 -17.679 -7.554 2.341
549 HB2 ARG 67 HB2 ARG 67 -18.663 -8.055 0.178
550 HB3 ARG 67 HB1 ARG 67 -18.325 -6.333 0.297
551 HG2 ARG 67 HG2 ARG 67 -16.084 -7.021 -0.885
552 HG3 ARG 67 HG1 ARG 67 -17.046 -8.407 -1.405
553 HD2 ARG 67 HD2 ARG 67 -17.936 -5.562 -1.731
554 HD3 ARG 67 HD1 ARG 67 -17.006 -6.419 -2.958
555 HE ARG 67 HE ARG 67 -19.078 -8.090 -2.562
556 HH11 ARG 67 HH11 ARG 67 -18.968 -4.631 -3.093
557 HH12 ARG 67 HH12 ARG 67 -20.464 -4.586 -3.966
558 HH21 ARG 67 HH21 ARG 67 -21.028 -8.043 -3.735
559 HH22 ARG 67 HH22 ARG 67 -21.631 -6.535 -4.343
560 H TYR 68 HN TYR 68 -14.856 -8.186 0.295
561 HA TYR 68 HA TYR 68 -15.342 -11.055 0.479
562 HB2 TYR 68 HB2 TYR 68 -14.221 -9.376 -1.482
563 HB3 TYR 68 HB1 TYR 68 -12.891 -10.360 -0.882
564 HD1 TYR 68 HD2 TYR 68 -16.260 -10.499 -2.403
565 HD2 TYR 68 HD1 TYR 68 -12.724 -12.660 -1.451
566 HE1 TYR 68 HE2 TYR 68 -17.041 -12.377 -3.786
567 HE2 TYR 68 HE1 TYR 68 -13.497 -14.543 -2.829
568 HH TYR 68 HH TYR 68 -16.205 -14.286 -4.954
569 H GLY 69 HN GLY 69 -13.843 -8.714 2.241
570 HA2 GLY 69 HA2 GLY 69 -11.777 -10.336 3.404
571 HA3 GLY 69 HA1 GLY 69 -12.492 -8.874 4.089
572 H ARG 70 HN ARG 70 -15.026 -9.362 4.304
573 HA ARG 70 HA ARG 70 -15.342 -11.103 6.493
574 HB2 ARG 70 HB2 ARG 70 -17.372 -9.795 4.684
575 HB3 ARG 70 HB1 ARG 70 -17.790 -10.675 6.148
576 HG2 ARG 70 HG2 ARG 70 -16.021 -8.251 6.021
577 HG3 ARG 70 HG1 ARG 70 -17.722 -8.253 6.500
578 HD2 ARG 70 HD2 ARG 70 -15.442 -9.662 7.887
579 HD3 ARG 70 HD1 ARG 70 -16.317 -8.245 8.470
580 HE ARG 70 HE ARG 70 -18.228 -10.189 8.091
581 HH11 ARG 70 HH11 ARG 70 -15.319 -9.870 10.020
582 HH12 ARG 70 HH12 ARG 70 -15.907 -10.904 11.287
583 HH21 ARG 70 HH21 ARG 70 -18.992 -11.543 9.750
584 HH22 ARG 70 HH22 ARG 70 -17.974 -11.876 11.125
585 H GLU 71 HN GLU 71 -16.294 -11.438 3.078
586 HA GLU 71 HA GLU 71 -17.459 -14.005 3.410
587 HB2 GLU 71 HB2 GLU 71 -16.435 -12.600 0.943
588 HB3 GLU 71 HB1 GLU 71 -17.304 -14.128 0.916
589 HG2 GLU 71 HG2 GLU 71 -19.227 -13.013 1.985
590 HG3 GLU 71 HG1 GLU 71 -18.356 -11.482 1.892
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -12.038 3.919 12.635
2 H2 MET 1 HT2 MET 1 -11.059 4.177 11.278
3 H3 MET 1 HT3 MET 1 -10.904 2.750 12.175
4 HA MET 1 HA MET 1 -13.071 2.023 11.543
5 HB2 MET 1 HB2 MET 1 -14.134 4.232 11.395
6 HB3 MET 1 HB1 MET 1 -13.182 4.606 9.966
7 HG2 MET 1 HG2 MET 1 -14.279 2.753 8.776
8 HG3 MET 1 HG1 MET 1 -15.268 2.448 10.202
9 HE1 MET 1 HE1 MET 1 -14.394 5.038 7.362
10 HE2 MET 1 HE2 MET 1 -14.146 5.973 8.834
11 HE3 MET 1 HE3 MET 1 -15.488 6.364 7.753
12 H ALA 2 HN ALA 2 -11.601 3.975 8.935
13 HA ALA 2 HA ALA 2 -11.513 1.683 7.222
14 HB1 ALA 2 HB1 ALA 2 -11.927 3.949 6.358
15 HB2 ALA 2 HB2 ALA 2 -10.555 3.171 5.568
16 HB3 ALA 2 HB3 ALA 2 -10.280 4.402 6.800
17 H SER 3 HN SER 3 -9.180 3.490 9.114
18 HA SER 3 HA SER 3 -7.116 3.000 9.898
19 HB2 SER 3 HB2 SER 3 -7.629 0.202 8.871
20 HB3 SER 3 HB1 SER 3 -6.434 0.678 10.079
21 HG SER 3 HG SER 3 -7.974 0.353 11.461
22 H TYR 4 HN TYR 4 -7.858 3.008 6.717
23 HA TYR 4 HA TYR 4 -5.578 2.044 5.417
24 HB2 TYR 4 HB2 TYR 4 -6.953 2.496 3.709
25 HB3 TYR 4 HB1 TYR 4 -7.981 3.447 4.769
26 HD1 TYR 4 HD1 TYR 4 -5.175 3.619 2.380
27 HD2 TYR 4 HD2 TYR 4 -7.973 5.807 4.713
28 HE1 TYR 4 HE1 TYR 4 -4.628 5.656 1.116
29 HE2 TYR 4 HE2 TYR 4 -7.433 7.847 3.463
30 HH TYR 4 HH TYR 4 -5.535 8.744 2.119
31 H TYR 5 HN TYR 5 -6.308 5.172 6.801
32 HA TYR 5 HA TYR 5 -4.066 6.594 5.991
33 HB2 TYR 5 HB2 TYR 5 -4.436 7.737 8.344
34 HB3 TYR 5 HB1 TYR 5 -5.596 7.952 7.037
35 HD1 TYR 5 HD1 TYR 5 -7.789 6.890 7.136
36 HD2 TYR 5 HD2 TYR 5 -4.991 6.398 10.306
37 HE1 TYR 5 HE1 TYR 5 -9.576 6.012 8.571
38 HE2 TYR 5 HE2 TYR 5 -6.777 5.516 11.748
39 HH TYR 5 HH TYR 5 -9.265 5.652 11.899
40 H GLU 6 HN GLU 6 -4.451 4.331 8.673
41 HA GLU 6 HA GLU 6 -1.847 4.755 9.753
42 HB2 GLU 6 HB2 GLU 6 -3.802 2.486 10.116
43 HB3 GLU 6 HB1 GLU 6 -2.330 2.697 11.054
44 HG2 GLU 6 HG2 GLU 6 -4.463 4.790 10.921
45 HG3 GLU 6 HG1 GLU 6 -4.497 3.479 12.102
46 H ILE 7 HN ILE 7 -3.289 2.343 7.593
47 HA ILE 7 HA ILE 7 -1.000 0.656 7.608
48 HB ILE 7 HB ILE 7 -2.092 -0.652 5.899
49 HG12 ILE 7 HG12 ILE 7 -4.548 0.309 5.344
50 HG13 ILE 7 HG11 ILE 7 -3.660 1.826 5.458
51 HG21 ILE 7 HG21 ILE 7 -4.105 -1.247 7.070
52 HG22 ILE 7 HG22 ILE 7 -4.146 0.326 7.865
53 HG23 ILE 7 HG23 ILE 7 -2.855 -0.818 8.240
54 HD11 ILE 7 HD11 ILE 7 -2.063 0.953 3.779
55 HD12 ILE 7 HD12 ILE 7 -3.716 1.112 3.166
56 HD13 ILE 7 HD13 ILE 7 -3.080 -0.479 3.614
57 H LEU 8 HN LEU 8 -2.008 3.337 5.595
58 HA LEU 8 HA LEU 8 0.137 2.737 3.697
59 HB2 LEU 8 HB2 LEU 8 -2.074 3.275 2.770
60 HB3 LEU 8 HB1 LEU 8 -2.032 4.835 3.571
61 HG LEU 8 HG LEU 8 -0.069 5.461 2.195
62 HD11 LEU 8 HD11 LEU 8 -0.613 2.837 0.807
63 HD12 LEU 8 HD12 LEU 8 0.818 3.243 1.756
64 HD13 LEU 8 HD13 LEU 8 0.496 4.088 0.242
65 HD21 LEU 8 HD21 LEU 8 -2.347 6.075 1.529
66 HD22 LEU 8 HD22 LEU 8 -2.475 4.577 0.605
67 HD23 LEU 8 HD23 LEU 8 -1.302 5.807 0.132
68 H ASP 9 HN ASP 9 -1.091 5.838 4.910
69 HA ASP 9 HA ASP 9 1.153 6.723 6.277
70 HB2 ASP 9 HB2 ASP 9 2.296 6.411 4.071
71 HB3 ASP 9 HB1 ASP 9 1.198 7.595 3.376
72 H VAL 10 HN VAL 10 -1.325 7.596 3.957
73 HA VAL 10 HA VAL 10 -1.744 10.142 5.387
74 HB VAL 10 HB VAL 10 -2.465 11.123 3.229
75 HG11 VAL 10 HG11 VAL 10 0.320 9.968 3.183
76 HG12 VAL 10 HG12 VAL 10 -0.175 11.446 4.009
77 HG13 VAL 10 HG13 VAL 10 -0.239 11.355 2.248
78 HG21 VAL 10 HG21 VAL 10 -3.141 9.088 2.080
79 HG22 VAL 10 HG22 VAL 10 -1.469 8.531 2.048
80 HG23 VAL 10 HG23 VAL 10 -1.938 9.962 1.131
81 HA PRO 11 HA PRO 11 -6.049 9.011 5.638
82 HB2 PRO 11 HB2 PRO 11 -7.162 11.406 6.052
83 HB3 PRO 11 HB1 PRO 11 -6.076 10.687 7.249
84 HG2 PRO 11 HG2 PRO 11 -5.510 12.803 5.209
85 HG3 PRO 11 HG1 PRO 11 -5.005 12.722 6.907
86 HD2 PRO 11 HD2 PRO 11 -3.408 12.012 4.781
87 HD3 PRO 11 HD1 PRO 11 -3.209 11.389 6.431
88 H ARG 12 HN ARG 12 -8.243 9.773 4.731
89 HA ARG 12 HA ARG 12 -7.998 9.575 1.878
90 HB2 ARG 12 HB2 ARG 12 -10.585 9.642 2.089
91 HB3 ARG 12 HB1 ARG 12 -9.704 8.224 2.637
92 HG2 ARG 12 HG2 ARG 12 -9.874 9.000 4.937
93 HG3 ARG 12 HG1 ARG 12 -10.694 10.466 4.392
94 HD2 ARG 12 HD2 ARG 12 -11.735 7.685 3.890
95 HD3 ARG 12 HD1 ARG 12 -12.202 8.664 5.281
96 HE ARG 12 HE ARG 12 -13.140 10.275 3.707
97 HH11 ARG 12 HH11 ARG 12 -12.436 7.069 2.460
98 HH12 ARG 12 HH12 ARG 12 -13.623 7.176 1.196
99 HH21 ARG 12 HH21 ARG 12 -14.700 10.394 2.036
100 HH22 ARG 12 HH22 ARG 12 -14.876 9.053 0.934
101 H SER 13 HN SER 13 -8.243 12.158 3.977
102 HA SER 13 HA SER 13 -9.743 13.974 2.412
103 HB2 SER 13 HB2 SER 13 -7.528 14.652 4.360
104 HB3 SER 13 HB1 SER 13 -8.885 15.673 3.881
105 HG SER 13 HG SER 13 -10.279 14.352 4.989
106 H ALA 14 HN ALA 14 -6.681 12.603 1.989
107 HA ALA 14 HA ALA 14 -5.551 14.779 0.447
108 HB1 ALA 14 HB1 ALA 14 -3.636 13.356 0.178
109 HB2 ALA 14 HB2 ALA 14 -4.535 11.955 0.758
110 HB3 ALA 14 HB3 ALA 14 -4.156 13.279 1.860
111 H SER 15 HN SER 15 -5.304 14.809 -1.766
112 HA SER 15 HA SER 15 -7.256 13.411 -3.309
113 HB2 SER 15 HB2 SER 15 -4.916 15.037 -4.314
114 HB3 SER 15 HB1 SER 15 -6.407 14.669 -5.179
115 HG SER 15 HG SER 15 -7.540 15.962 -3.723
116 H ALA 16 HN ALA 16 -6.630 12.239 -5.354
117 HA ALA 16 HA ALA 16 -5.490 9.823 -4.627
118 HB1 ALA 16 HB1 ALA 16 -5.707 10.917 -7.427
119 HB2 ALA 16 HB2 ALA 16 -7.007 10.127 -6.532
120 HB3 ALA 16 HB3 ALA 16 -5.560 9.219 -6.974
121 H ASP 17 HN ASP 17 -3.946 12.548 -6.262
122 HA ASP 17 HA ASP 17 -1.548 11.285 -6.978
123 HB2 ASP 17 HB2 ASP 17 -2.325 13.532 -7.778
124 HB3 ASP 17 HB1 ASP 17 -1.855 14.167 -6.209
125 H ASP 18 HN ASP 18 -2.572 12.751 -3.953
126 HA ASP 18 HA ASP 18 0.023 12.821 -2.781
127 HB2 ASP 18 HB2 ASP 18 -2.034 14.143 -2.040
128 HB3 ASP 18 HB1 ASP 18 -2.560 12.663 -1.239
129 H ILE 19 HN ILE 19 -2.680 10.538 -2.664
130 HA ILE 19 HA ILE 19 -1.455 8.594 -1.048
131 HB ILE 19 HB ILE 19 -3.564 8.421 -3.171
132 HG12 ILE 19 HG12 ILE 19 -4.812 7.524 -1.089
133 HG13 ILE 19 HG11 ILE 19 -3.466 8.218 -0.190
134 HG21 ILE 19 HG21 ILE 19 -2.265 6.333 -3.322
135 HG22 ILE 19 HG22 ILE 19 -3.899 6.071 -2.717
136 HG23 ILE 19 HG23 ILE 19 -2.536 6.063 -1.598
137 HD11 ILE 19 HD11 ILE 19 -5.547 9.588 -1.820
138 HD12 ILE 19 HD12 ILE 19 -3.974 10.334 -1.563
139 HD13 ILE 19 HD13 ILE 19 -4.990 9.933 -0.176
140 H LYS 20 HN LYS 20 -1.371 9.159 -4.530
141 HA LYS 20 HA LYS 20 0.230 7.015 -5.286
142 HB2 LYS 20 HB2 LYS 20 -0.877 8.410 -6.927
143 HB3 LYS 20 HB1 LYS 20 0.077 9.803 -6.437
144 HG2 LYS 20 HG2 LYS 20 1.984 9.036 -7.480
145 HG3 LYS 20 HG1 LYS 20 1.451 7.354 -7.447
146 HD2 LYS 20 HD2 LYS 20 1.390 8.290 -9.716
147 HD3 LYS 20 HD1 LYS 20 -0.215 7.827 -9.153
148 HE2 LYS 20 HE2 LYS 20 -0.355 9.945 -10.278
149 HE3 LYS 20 HE1 LYS 20 -0.638 10.185 -8.555
150 HZ1 LYS 20 HZ1 LYS 20 1.681 10.891 -8.340
151 HZ2 LYS 20 HZ2 LYS 20 0.804 11.886 -9.391
152 HZ3 LYS 20 HZ3 LYS 20 1.888 10.738 -10.017
153 H LYS 21 HN LYS 21 1.171 10.247 -4.149
154 HA LYS 21 HA LYS 21 3.958 9.815 -4.214
155 HB2 LYS 21 HB2 LYS 21 2.213 11.631 -2.574
156 HB3 LYS 21 HB1 LYS 21 3.954 11.582 -2.347
157 HG2 LYS 21 HG2 LYS 21 2.756 12.075 -5.046
158 HG3 LYS 21 HG1 LYS 21 2.965 13.377 -3.876
159 HD2 LYS 21 HD2 LYS 21 4.898 13.443 -5.224
160 HD3 LYS 21 HD1 LYS 21 5.392 12.657 -3.728
161 HE2 LYS 21 HE2 LYS 21 5.263 10.486 -4.777
162 HE3 LYS 21 HE1 LYS 21 4.664 11.214 -6.270
163 HZ1 LYS 21 HZ1 LYS 21 6.761 12.397 -6.484
164 HZ2 LYS 21 HZ2 LYS 21 7.033 10.725 -6.399
165 HZ3 LYS 21 HZ3 LYS 21 7.327 11.703 -5.049
166 H ALA 22 HN ALA 22 1.523 8.972 -1.818
167 HA ALA 22 HA ALA 22 3.275 8.473 0.332
168 HB1 ALA 22 HB1 ALA 22 0.563 7.255 -0.172
169 HB2 ALA 22 HB2 ALA 22 0.861 8.813 0.601
170 HB3 ALA 22 HB3 ALA 22 1.411 7.326 1.373
171 H TYR 23 HN TYR 23 1.849 6.191 -2.061
172 HA TYR 23 HA TYR 23 3.329 4.027 -0.954
173 HB2 TYR 23 HB2 TYR 23 2.628 2.684 -2.826
174 HB3 TYR 23 HB1 TYR 23 1.263 3.571 -2.186
175 HD1 TYR 23 HD1 TYR 23 3.782 3.659 -4.915
176 HD2 TYR 23 HD2 TYR 23 -0.129 4.727 -3.664
177 HE1 TYR 23 HE1 TYR 23 3.241 4.321 -7.221
178 HE2 TYR 23 HE2 TYR 23 -0.682 5.413 -5.959
179 HH TYR 23 HH TYR 23 1.114 4.557 -8.621
180 H ARG 24 HN ARG 24 3.895 6.364 -3.489
181 HA ARG 24 HA ARG 24 6.074 5.210 -4.756
182 HB2 ARG 24 HB2 ARG 24 4.840 7.847 -4.483
183 HB3 ARG 24 HB1 ARG 24 6.561 7.918 -4.764
184 HG2 ARG 24 HG2 ARG 24 4.611 6.430 -6.494
185 HG3 ARG 24 HG1 ARG 24 5.230 8.049 -6.826
186 HD2 ARG 24 HD2 ARG 24 7.533 7.031 -6.696
187 HD3 ARG 24 HD1 ARG 24 6.742 5.455 -6.736
188 HE ARG 24 HE ARG 24 6.335 7.446 -8.882
189 HH11 ARG 24 HH11 ARG 24 7.152 4.222 -7.816
190 HH12 ARG 24 HH12 ARG 24 7.310 3.578 -9.422
191 HH21 ARG 24 HH21 ARG 24 6.548 6.618 -11.012
192 HH22 ARG 24 HH22 ARG 24 6.951 4.943 -11.236
193 H ARG 25 HN ARG 25 6.000 7.399 -1.937
194 HA ARG 25 HA ARG 25 8.812 7.454 -1.599
195 HB2 ARG 25 HB2 ARG 25 8.400 8.468 0.549
196 HB3 ARG 25 HB1 ARG 25 7.269 9.134 -0.620
197 HG2 ARG 25 HG2 ARG 25 5.533 7.615 0.240
198 HG3 ARG 25 HG1 ARG 25 6.674 7.037 1.455
199 HD2 ARG 25 HD2 ARG 25 5.277 8.677 2.479
200 HD3 ARG 25 HD1 ARG 25 6.878 9.383 2.269
201 HE ARG 25 HE ARG 25 5.813 10.383 0.144
202 HH11 ARG 25 HH11 ARG 25 4.182 9.830 3.189
203 HH12 ARG 25 HH12 ARG 25 3.028 11.100 2.958
204 HH21 ARG 25 HH21 ARG 25 4.313 12.111 -0.155
205 HH22 ARG 25 HH22 ARG 25 3.097 12.399 1.058
206 H LYS 26 HN LYS 26 6.276 5.394 -0.241
207 HA LYS 26 HA LYS 26 7.937 3.903 1.493
208 HB2 LYS 26 HB2 LYS 26 5.508 3.870 1.688
209 HB3 LYS 26 HB1 LYS 26 5.362 3.136 0.098
210 HG2 LYS 26 HG2 LYS 26 6.459 1.126 0.904
211 HG3 LYS 26 HG1 LYS 26 6.667 1.861 2.493
212 HD2 LYS 26 HD2 LYS 26 3.931 1.653 1.310
213 HD3 LYS 26 HD1 LYS 26 4.672 0.228 2.035
214 HE2 LYS 26 HE2 LYS 26 3.326 1.301 3.699
215 HE3 LYS 26 HE1 LYS 26 5.018 1.545 4.119
216 HZ1 LYS 26 HZ1 LYS 26 3.412 3.565 2.668
217 HZ2 LYS 26 HZ2 LYS 26 4.926 3.780 3.401
218 HZ3 LYS 26 HZ3 LYS 26 3.545 3.534 4.352
219 H ALA 27 HN ALA 27 7.063 3.539 -1.885
220 HA ALA 27 HA ALA 27 8.290 1.075 -2.414
221 HB1 ALA 27 HB1 ALA 27 8.210 3.287 -4.431
222 HB2 ALA 27 HB2 ALA 27 6.722 2.524 -3.881
223 HB3 ALA 27 HB3 ALA 27 7.971 1.554 -4.669
224 H LEU 28 HN LEU 28 9.549 4.344 -2.317
225 HA LEU 28 HA LEU 28 12.099 3.760 -3.411
226 HB2 LEU 28 HB2 LEU 28 10.797 6.056 -2.118
227 HB3 LEU 28 HB1 LEU 28 12.535 5.982 -1.909
228 HG LEU 28 HG LEU 28 12.878 6.010 -4.306
229 HD11 LEU 28 HD11 LEU 28 10.989 6.297 -5.856
230 HD12 LEU 28 HD12 LEU 28 9.873 6.021 -4.519
231 HD13 LEU 28 HD13 LEU 28 10.960 4.735 -5.039
232 HD21 LEU 28 HD21 LEU 28 10.925 8.125 -3.419
233 HD22 LEU 28 HD22 LEU 28 12.009 8.241 -4.808
234 HD23 LEU 28 HD23 LEU 28 12.672 8.147 -3.175
235 H GLN 29 HN GLN 29 10.811 3.786 -0.138
236 HA GLN 29 HA GLN 29 13.241 3.627 1.255
237 HB2 GLN 29 HB2 GLN 29 10.455 2.716 1.931
238 HB3 GLN 29 HB1 GLN 29 11.796 2.527 3.053
239 HG2 GLN 29 HG2 GLN 29 12.140 4.904 3.118
240 HG3 GLN 29 HG1 GLN 29 10.916 5.147 1.872
241 HE21 GLN 29 HE21 GLN 29 11.465 4.233 5.202
242 HE22 GLN 29 HE22 GLN 29 9.840 4.490 5.743
243 H TRP 30 HN TRP 30 11.235 1.109 -0.182
244 HA TRP 30 HA TRP 30 13.256 -0.873 0.604
245 HB2 TRP 30 HB2 TRP 30 10.345 -1.190 -0.111
246 HB3 TRP 30 HB1 TRP 30 11.453 -2.559 -0.038
247 HD1 TRP 30 HD1 TRP 30 12.949 -2.364 2.533
248 HE1 TRP 30 HE1 TRP 30 11.810 -2.284 4.840
249 HE3 TRP 30 HE3 TRP 30 8.314 -0.733 1.100
250 HZ2 TRP 30 HZ2 TRP 30 9.288 -1.616 5.909
251 HZ3 TRP 30 HZ3 TRP 30 6.598 -0.398 2.834
252 HH2 TRP 30 HH2 TRP 30 7.073 -0.829 5.185
253 H HIS 31 HN HIS 31 13.284 1.061 -1.708
254 HA HIS 31 HA HIS 31 12.878 -0.494 -4.082
255 HB2 HIS 31 HB2 HIS 31 12.975 2.136 -3.681
256 HB3 HIS 31 HB1 HIS 31 14.680 1.895 -4.036
257 HD1 HIS 31 HD1 HIS 31 15.310 1.917 -6.426
258 HD2 HIS 31 HD2 HIS 31 11.247 1.195 -5.892
259 HE1 HIS 31 HE1 HIS 31 14.307 1.926 -8.737
260 HE2 HIS 31 HE2 HIS 31 11.835 1.592 -8.390
261 HA PRO 32 HA PRO 32 16.207 -3.178 -3.897
262 HB2 PRO 32 HB2 PRO 32 17.222 -3.051 -6.503
263 HB3 PRO 32 HB1 PRO 32 15.908 -4.091 -5.948
264 HG2 PRO 32 HG2 PRO 32 15.788 -1.455 -7.337
265 HG3 PRO 32 HG1 PRO 32 14.743 -2.874 -7.527
266 HD2 PRO 32 HD2 PRO 32 13.909 -0.743 -6.159
267 HD3 PRO 32 HD1 PRO 32 13.524 -2.386 -5.602
268 H ASP 33 HN ASP 33 17.028 -0.151 -5.530
269 HA ASP 33 HA ASP 33 19.846 -0.442 -5.293
270 HB2 ASP 33 HB2 ASP 33 19.916 1.962 -5.867
271 HB3 ASP 33 HB1 ASP 33 18.878 1.048 -6.957
272 H LYS 34 HN LYS 34 17.373 0.686 -3.169
273 HA LYS 34 HA LYS 34 19.359 1.682 -1.257
274 HB2 LYS 34 HB2 LYS 34 16.382 2.146 -1.430
275 HB3 LYS 34 HB1 LYS 34 17.428 2.795 -0.174
276 HG2 LYS 34 HG2 LYS 34 17.660 3.380 -3.121
277 HG3 LYS 34 HG1 LYS 34 16.963 4.453 -1.903
278 HD2 LYS 34 HD2 LYS 34 18.989 4.978 -1.004
279 HD3 LYS 34 HD1 LYS 34 19.674 3.401 -1.398
280 HE2 LYS 34 HE2 LYS 34 20.562 5.456 -2.656
281 HE3 LYS 34 HE1 LYS 34 20.154 4.018 -3.590
282 HZ1 LYS 34 HZ1 LYS 34 18.161 4.998 -4.322
283 HZ2 LYS 34 HZ2 LYS 34 19.351 6.186 -4.517
284 HZ3 LYS 34 HZ3 LYS 34 18.271 6.281 -3.217
285 H ASN 35 HN ASN 35 18.284 -1.127 -1.944
286 HA ASN 35 HA ASN 35 17.474 -1.895 0.778
287 HB2 ASN 35 HB2 ASN 35 15.922 -2.525 -1.074
288 HB3 ASN 35 HB1 ASN 35 17.219 -3.470 -1.800
289 HD21 ASN 35 HD21 ASN 35 17.757 -5.437 -0.942
290 HD22 ASN 35 HD22 ASN 35 16.823 -6.211 0.296
291 HA PRO 36 HA PRO 36 21.547 -3.530 1.138
292 HB2 PRO 36 HB2 PRO 36 21.359 -4.627 3.568
293 HB3 PRO 36 HB1 PRO 36 21.233 -2.877 3.341
294 HG2 PRO 36 HG2 PRO 36 19.068 -4.902 3.725
295 HG3 PRO 36 HG1 PRO 36 19.232 -3.294 4.458
296 HD2 PRO 36 HD2 PRO 36 17.645 -3.849 2.277
297 HD3 PRO 36 HD1 PRO 36 18.319 -2.247 2.638
298 H ASP 37 HN ASP 37 20.961 -6.067 3.165
299 HA ASP 37 HA ASP 37 21.503 -7.901 0.938
300 HB2 ASP 37 HB2 ASP 37 22.009 -8.158 3.895
301 HB3 ASP 37 HB1 ASP 37 22.292 -9.457 2.744
302 H ASN 38 HN ASN 38 18.984 -7.039 2.970
303 HA ASN 38 HA ASN 38 17.726 -9.678 2.736
304 HB2 ASN 38 HB2 ASN 38 16.917 -7.222 4.307
305 HB3 ASN 38 HB1 ASN 38 15.961 -8.696 4.222
306 HD21 ASN 38 HD21 ASN 38 18.262 -10.458 4.254
307 HD22 ASN 38 HD22 ASN 38 18.884 -10.425 5.868
308 H LYS 39 HN LYS 39 16.873 -9.907 0.760
309 HA LYS 39 HA LYS 39 15.727 -7.568 -0.563
310 HB2 LYS 39 HB2 LYS 39 16.423 -10.319 -1.583
311 HB3 LYS 39 HB1 LYS 39 15.591 -9.116 -2.554
312 HG2 LYS 39 HG2 LYS 39 17.815 -8.944 -3.198
313 HG3 LYS 39 HG1 LYS 39 17.584 -7.602 -2.080
314 HD2 LYS 39 HD2 LYS 39 18.703 -8.769 -0.329
315 HD3 LYS 39 HD1 LYS 39 18.723 -10.267 -1.262
316 HE2 LYS 39 HE2 LYS 39 20.170 -7.723 -1.997
317 HE3 LYS 39 HE1 LYS 39 20.909 -9.148 -1.267
318 HZ1 LYS 39 HZ1 LYS 39 20.352 -10.429 -3.208
319 HZ2 LYS 39 HZ2 LYS 39 21.207 -9.046 -3.691
320 HZ3 LYS 39 HZ3 LYS 39 19.527 -9.121 -3.898
321 H GLU 40 HN GLU 40 14.793 -10.571 0.873
322 HA GLU 40 HA GLU 40 12.416 -11.127 -0.442
323 HB2 GLU 40 HB2 GLU 40 13.438 -12.650 1.154
324 HB3 GLU 40 HB1 GLU 40 13.112 -11.535 2.467
325 HG2 GLU 40 HG2 GLU 40 10.672 -11.798 1.952
326 HG3 GLU 40 HG1 GLU 40 11.124 -13.102 0.853
327 H PHE 41 HN PHE 41 12.973 -9.079 2.375
328 HA PHE 41 HA PHE 41 10.293 -8.404 2.841
329 HB2 PHE 41 HB2 PHE 41 12.771 -6.776 3.445
330 HB3 PHE 41 HB1 PHE 41 11.181 -6.527 4.159
331 HD1 PHE 41 HD1 PHE 41 10.215 -8.304 5.620
332 HD2 PHE 41 HD2 PHE 41 14.259 -8.371 4.305
333 HE1 PHE 41 HE1 PHE 41 10.770 -9.887 7.415
334 HE2 PHE 41 HE2 PHE 41 14.822 -9.956 6.098
335 HZ PHE 41 HZ PHE 41 13.074 -10.717 7.656
336 H ALA 42 HN ALA 42 12.763 -6.843 0.842
337 HA ALA 42 HA ALA 42 11.296 -4.545 0.183
338 HB1 ALA 42 HB1 ALA 42 13.422 -5.976 -1.407
339 HB2 ALA 42 HB2 ALA 42 13.678 -4.689 -0.227
340 HB3 ALA 42 HB3 ALA 42 12.830 -4.348 -1.735
341 H GLU 43 HN GLU 43 11.526 -7.702 -1.434
342 HA GLU 43 HA GLU 43 9.851 -6.984 -3.619
343 HB2 GLU 43 HB2 GLU 43 10.187 -9.803 -2.631
344 HB3 GLU 43 HB1 GLU 43 9.977 -9.232 -4.282
345 HG2 GLU 43 HG2 GLU 43 12.216 -8.198 -4.157
346 HG3 GLU 43 HG1 GLU 43 12.408 -8.917 -2.556
347 H LYS 44 HN LYS 44 9.310 -8.659 -0.552
348 HA LYS 44 HA LYS 44 6.600 -9.313 -1.055
349 HB2 LYS 44 HB2 LYS 44 8.119 -9.028 1.534
350 HB3 LYS 44 HB1 LYS 44 6.451 -9.583 1.449
351 HG2 LYS 44 HG2 LYS 44 8.803 -10.914 0.109
352 HG3 LYS 44 HG1 LYS 44 8.047 -11.436 1.615
353 HD2 LYS 44 HD2 LYS 44 5.963 -11.869 0.462
354 HD3 LYS 44 HD1 LYS 44 6.637 -11.238 -1.043
355 HE2 LYS 44 HE2 LYS 44 7.660 -13.650 0.451
356 HE3 LYS 44 HE1 LYS 44 6.620 -13.701 -0.973
357 HZ1 LYS 44 HZ1 LYS 44 8.381 -12.543 -2.211
358 HZ2 LYS 44 HZ2 LYS 44 8.893 -14.043 -1.622
359 HZ3 LYS 44 HZ3 LYS 44 9.389 -12.622 -0.850
360 H LYS 45 HN LYS 45 8.104 -6.520 0.527
361 HA LYS 45 HA LYS 45 5.606 -5.357 1.270
362 HB2 LYS 45 HB2 LYS 45 8.354 -4.119 1.050
363 HB3 LYS 45 HB1 LYS 45 6.942 -3.309 1.720
364 HG2 LYS 45 HG2 LYS 45 8.414 -5.682 2.804
365 HG3 LYS 45 HG1 LYS 45 8.109 -4.125 3.577
366 HD2 LYS 45 HD2 LYS 45 5.755 -4.634 3.729
367 HD3 LYS 45 HD1 LYS 45 6.005 -6.124 2.831
368 HE2 LYS 45 HE2 LYS 45 7.435 -6.954 4.638
369 HE3 LYS 45 HE1 LYS 45 7.118 -5.483 5.551
370 HZ1 LYS 45 HZ1 LYS 45 4.881 -6.058 5.828
371 HZ2 LYS 45 HZ2 LYS 45 5.721 -7.508 6.104
372 HZ3 LYS 45 HZ3 LYS 45 4.932 -7.253 4.626
373 H PHE 46 HN PHE 46 7.758 -5.068 -1.492
374 HA PHE 46 HA PHE 46 6.433 -2.998 -2.843
375 HB2 PHE 46 HB2 PHE 46 8.650 -4.059 -3.474
376 HB3 PHE 46 HB1 PHE 46 7.730 -5.394 -4.158
377 HD1 PHE 46 HD2 PHE 46 8.447 -1.793 -4.446
378 HD2 PHE 46 HD1 PHE 46 6.703 -5.212 -6.280
379 HE1 PHE 46 HE2 PHE 46 8.256 -0.553 -6.563
380 HE2 PHE 46 HE1 PHE 46 6.510 -3.983 -8.401
381 HZ PHE 46 HZ PHE 46 7.285 -1.651 -8.545
382 H LYS 47 HN LYS 47 5.850 -6.479 -2.740
383 HA LYS 47 HA LYS 47 3.654 -6.539 -4.513
384 HB2 LYS 47 HB2 LYS 47 4.380 -8.315 -2.182
385 HB3 LYS 47 HB1 LYS 47 3.047 -8.651 -3.276
386 HG2 LYS 47 HG2 LYS 47 5.896 -8.343 -4.183
387 HG3 LYS 47 HG1 LYS 47 5.168 -9.888 -3.742
388 HD2 LYS 47 HD2 LYS 47 3.436 -9.526 -5.469
389 HD3 LYS 47 HD1 LYS 47 4.256 -8.035 -5.941
390 HE2 LYS 47 HE2 LYS 47 6.183 -9.222 -6.655
391 HE3 LYS 47 HE1 LYS 47 5.613 -10.718 -5.920
392 HZ1 LYS 47 HZ1 LYS 47 3.739 -10.668 -7.513
393 HZ2 LYS 47 HZ2 LYS 47 5.257 -10.847 -8.247
394 HZ3 LYS 47 HZ3 LYS 47 4.471 -9.347 -8.293
395 H GLU 48 HN GLU 48 3.869 -6.141 -1.000
396 HA GLU 48 HA GLU 48 1.107 -6.131 -0.485
397 HB2 GLU 48 HB2 GLU 48 3.455 -5.021 1.042
398 HB3 GLU 48 HB1 GLU 48 1.808 -4.913 1.649
399 HG2 GLU 48 HG2 GLU 48 1.619 -7.312 1.691
400 HG3 GLU 48 HG1 GLU 48 3.207 -7.479 0.943
401 H VAL 49 HN VAL 49 3.377 -3.450 -1.069
402 HA VAL 49 HA VAL 49 1.424 -1.440 -0.674
403 HB VAL 49 HB VAL 49 3.809 -0.901 -0.542
404 HG11 VAL 49 HG11 VAL 49 3.891 -1.176 -3.540
405 HG12 VAL 49 HG12 VAL 49 4.531 -2.375 -2.417
406 HG13 VAL 49 HG13 VAL 49 5.224 -0.753 -2.463
407 HG21 VAL 49 HG21 VAL 49 3.752 1.212 -1.698
408 HG22 VAL 49 HG22 VAL 49 2.151 0.864 -1.044
409 HG23 VAL 49 HG23 VAL 49 2.472 0.636 -2.762
410 H ALA 50 HN ALA 50 2.426 -3.274 -3.514
411 HA ALA 50 HA ALA 50 1.157 -1.660 -5.445
412 HB1 ALA 50 HB1 ALA 50 1.624 -4.635 -5.620
413 HB2 ALA 50 HB2 ALA 50 2.855 -3.411 -5.926
414 HB3 ALA 50 HB3 ALA 50 1.428 -3.501 -6.960
415 H GLU 51 HN GLU 51 -0.001 -4.540 -3.711
416 HA GLU 51 HA GLU 51 -2.547 -4.536 -4.988
417 HB2 GLU 51 HB2 GLU 51 -3.198 -6.142 -3.233
418 HB3 GLU 51 HB1 GLU 51 -1.677 -6.580 -3.995
419 HG2 GLU 51 HG2 GLU 51 -0.470 -5.622 -2.075
420 HG3 GLU 51 HG1 GLU 51 -2.012 -5.256 -1.305
421 H ALA 52 HN ALA 52 -1.222 -3.137 -2.088
422 HA ALA 52 HA ALA 52 -3.727 -2.388 -0.976
423 HB1 ALA 52 HB1 ALA 52 -1.584 -2.842 0.265
424 HB2 ALA 52 HB2 ALA 52 -2.490 -1.405 0.764
425 HB3 ALA 52 HB3 ALA 52 -1.053 -1.235 -0.248
426 H TYR 53 HN TYR 53 -1.204 -0.578 -2.774
427 HA TYR 53 HA TYR 53 -2.493 1.913 -2.466
428 HB2 TYR 53 HB2 TYR 53 -0.872 2.813 -3.825
429 HB3 TYR 53 HB1 TYR 53 -0.062 1.340 -3.322
430 HD1 TYR 53 HD2 TYR 53 -1.970 2.866 -6.142
431 HD2 TYR 53 HD1 TYR 53 0.718 -0.192 -4.915
432 HE1 TYR 53 HE2 TYR 53 -1.550 2.293 -8.498
433 HE2 TYR 53 HE1 TYR 53 1.155 -0.760 -7.262
434 HH TYR 53 HH TYR 53 -0.060 -0.545 -9.460
435 H GLU 54 HN GLU 54 -2.793 -0.685 -4.772
436 HA GLU 54 HA GLU 54 -4.434 0.606 -6.656
437 HB2 GLU 54 HB2 GLU 54 -3.331 -1.902 -6.355
438 HB3 GLU 54 HB1 GLU 54 -5.050 -2.222 -6.179
439 HG2 GLU 54 HG2 GLU 54 -3.912 -0.669 -8.481
440 HG3 GLU 54 HG1 GLU 54 -4.091 -2.422 -8.502
441 H VAL 55 HN VAL 55 -5.312 -1.389 -3.814
442 HA VAL 55 HA VAL 55 -8.104 -0.958 -4.194
443 HB VAL 55 HB VAL 55 -7.269 -2.966 -3.064
444 HG11 VAL 55 HG11 VAL 55 -6.584 -2.869 -0.702
445 HG12 VAL 55 HG12 VAL 55 -6.552 -1.107 -0.808
446 HG13 VAL 55 HG13 VAL 55 -5.441 -2.072 -1.781
447 HG21 VAL 55 HG21 VAL 55 -9.102 -1.275 -1.377
448 HG22 VAL 55 HG22 VAL 55 -8.928 -3.026 -1.263
449 HG23 VAL 55 HG23 VAL 55 -9.568 -2.298 -2.736
450 H LEU 56 HN LEU 56 -5.672 0.660 -2.192
451 HA LEU 56 HA LEU 56 -7.525 1.937 -0.457
452 HB2 LEU 56 HB2 LEU 56 -4.701 2.776 -1.108
453 HB3 LEU 56 HB1 LEU 56 -5.644 3.328 0.255
454 HG LEU 56 HG LEU 56 -4.831 0.470 -0.141
455 HD11 LEU 56 HD11 LEU 56 -3.147 1.034 1.638
456 HD12 LEU 56 HD12 LEU 56 -3.498 2.736 1.315
457 HD13 LEU 56 HD13 LEU 56 -2.825 1.715 0.043
458 HD21 LEU 56 HD21 LEU 56 -6.763 0.794 1.296
459 HD22 LEU 56 HD22 LEU 56 -5.869 1.987 2.232
460 HD23 LEU 56 HD23 LEU 56 -5.357 0.303 2.238
461 H SER 57 HN SER 57 -6.413 2.697 -3.617
462 HA SER 57 HA SER 57 -6.844 5.527 -3.407
463 HB2 SER 57 HB2 SER 57 -5.170 4.448 -4.952
464 HB3 SER 57 HB1 SER 57 -6.523 3.863 -5.919
465 HG SER 57 HG SER 57 -5.330 6.253 -5.983
466 H ASP 58 HN ASP 58 -8.782 2.763 -4.095
467 HA ASP 58 HA ASP 58 -10.903 4.515 -5.158
468 HB2 ASP 58 HB2 ASP 58 -10.025 2.728 -6.713
469 HB3 ASP 58 HB1 ASP 58 -10.707 1.538 -5.606
470 H LYS 59 HN LYS 59 -12.536 4.841 -3.865
471 HA LYS 59 HA LYS 59 -12.797 3.629 -1.340
472 HB2 LYS 59 HB2 LYS 59 -14.775 4.965 -1.078
473 HB3 LYS 59 HB1 LYS 59 -13.576 5.878 -1.960
474 HG2 LYS 59 HG2 LYS 59 -15.676 4.433 -3.475
475 HG3 LYS 59 HG1 LYS 59 -16.042 5.980 -2.704
476 HD2 LYS 59 HD2 LYS 59 -14.018 6.914 -3.878
477 HD3 LYS 59 HD1 LYS 59 -13.945 5.408 -4.790
478 HE2 LYS 59 HE2 LYS 59 -16.114 5.817 -5.739
479 HE3 LYS 59 HE1 LYS 59 -16.336 7.237 -4.716
480 HZ1 LYS 59 HZ1 LYS 59 -14.226 6.942 -6.790
481 HZ2 LYS 59 HZ2 LYS 59 -14.514 8.319 -5.841
482 HZ3 LYS 59 HZ3 LYS 59 -15.664 7.821 -6.980
483 H HIS 60 HN HIS 60 -14.396 3.079 -4.366
484 HA HIS 60 HA HIS 60 -16.334 1.235 -3.383
485 HB2 HIS 60 HB2 HIS 60 -15.257 1.660 -6.170
486 HB3 HIS 60 HB1 HIS 60 -16.536 0.512 -5.796
487 HD1 HIS 60 HD1 HIS 60 -18.169 2.280 -3.822
488 HD2 HIS 60 HD2 HIS 60 -16.689 3.548 -7.504
489 HE1 HIS 60 HE1 HIS 60 -19.625 4.219 -4.519
490 HE2 HIS 60 HE2 HIS 60 -18.845 4.817 -6.843
491 H LYS 61 HN LYS 61 -13.139 0.838 -4.820
492 HA LYS 61 HA LYS 61 -13.104 -1.974 -4.847
493 HB2 LYS 61 HB2 LYS 61 -11.496 -0.262 -5.929
494 HB3 LYS 61 HB1 LYS 61 -10.670 -0.277 -4.380
495 HG2 LYS 61 HG2 LYS 61 -10.040 -2.515 -4.601
496 HG3 LYS 61 HG1 LYS 61 -11.206 -2.801 -5.896
497 HD2 LYS 61 HD2 LYS 61 -8.729 -1.083 -6.049
498 HD3 LYS 61 HD1 LYS 61 -8.970 -2.652 -6.825
499 HE2 LYS 61 HE2 LYS 61 -10.882 -1.654 -8.080
500 HE3 LYS 61 HE1 LYS 61 -10.453 -0.089 -7.394
501 HZ1 LYS 61 HZ1 LYS 61 -9.453 -0.145 -9.489
502 HZ2 LYS 61 HZ2 LYS 61 -8.912 -1.739 -9.298
503 HZ3 LYS 61 HZ3 LYS 61 -8.181 -0.490 -8.419
504 H ARG 62 HN ARG 62 -12.357 0.384 -2.340
505 HA ARG 62 HA ARG 62 -11.366 -1.387 -0.399
506 HB2 ARG 62 HB2 ARG 62 -12.708 1.281 -0.280
507 HB3 ARG 62 HB1 ARG 62 -12.464 0.378 1.208
508 HG2 ARG 62 HG2 ARG 62 -10.299 1.195 -0.721
509 HG3 ARG 62 HG1 ARG 62 -10.674 1.988 0.811
510 HD2 ARG 62 HD2 ARG 62 -9.700 -0.844 0.433
511 HD3 ARG 62 HD1 ARG 62 -8.779 0.506 1.096
512 HE ARG 62 HE ARG 62 -11.237 -0.272 2.483
513 HH11 ARG 62 HH11 ARG 62 -7.734 -0.307 2.394
514 HH12 ARG 62 HH12 ARG 62 -7.573 -0.735 4.073
515 HH21 ARG 62 HH21 ARG 62 -11.029 -0.861 4.663
516 HH22 ARG 62 HH22 ARG 62 -9.443 -1.047 5.358
517 H GLU 63 HN GLU 63 -14.659 -0.526 -1.313
518 HA GLU 63 HA GLU 63 -15.992 -1.815 0.809
519 HB2 GLU 63 HB2 GLU 63 -16.945 -1.397 -2.029
520 HB3 GLU 63 HB1 GLU 63 -17.964 -1.797 -0.655
521 HG2 GLU 63 HG2 GLU 63 -17.389 0.330 0.393
522 HG3 GLU 63 HG1 GLU 63 -16.365 0.730 -0.987
523 H ILE 64 HN ILE 64 -14.990 -2.920 -2.393
524 HA ILE 64 HA ILE 64 -16.039 -5.531 -2.199
525 HB ILE 64 HB ILE 64 -14.016 -4.215 -3.954
526 HG12 ILE 64 HG12 ILE 64 -15.515 -5.077 -5.724
527 HG13 ILE 64 HG11 ILE 64 -16.502 -5.848 -4.490
528 HG21 ILE 64 HG21 ILE 64 -13.673 -6.403 -5.140
529 HG22 ILE 64 HG22 ILE 64 -14.315 -7.176 -3.694
530 HG23 ILE 64 HG23 ILE 64 -12.844 -6.221 -3.594
531 HD11 ILE 64 HD11 ILE 64 -16.972 -3.617 -3.542
532 HD12 ILE 64 HD12 ILE 64 -17.551 -3.821 -5.194
533 HD13 ILE 64 HD13 ILE 64 -16.080 -2.898 -4.885
534 H TYR 65 HN TYR 65 -12.851 -4.191 -1.458
535 HA TYR 65 HA TYR 65 -11.627 -6.639 -0.763
536 HB2 TYR 65 HB2 TYR 65 -10.311 -4.692 -1.352
537 HB3 TYR 65 HB1 TYR 65 -10.957 -3.793 0.013
538 HD1 TYR 65 HD1 TYR 65 -8.922 -6.805 -0.810
539 HD2 TYR 65 HD2 TYR 65 -9.821 -3.790 2.055
540 HE1 TYR 65 HE1 TYR 65 -7.034 -7.563 0.573
541 HE2 TYR 65 HE2 TYR 65 -7.935 -4.540 3.441
542 HH TYR 65 HH TYR 65 -5.553 -6.708 2.287
543 H ASP 66 HN ASP 66 -13.513 -4.314 1.078
544 HA ASP 66 HA ASP 66 -12.755 -5.241 3.642
545 HB2 ASP 66 HB2 ASP 66 -13.891 -3.025 3.006
546 HB3 ASP 66 HB1 ASP 66 -15.398 -3.935 3.011
547 H ARG 67 HN ARG 67 -15.621 -5.934 1.599
548 HA ARG 67 HA ARG 67 -16.602 -7.818 3.549
549 HB2 ARG 67 HB2 ARG 67 -18.414 -8.175 1.947
550 HB3 ARG 67 HB1 ARG 67 -18.139 -6.466 2.252
551 HG2 ARG 67 HG2 ARG 67 -16.689 -6.533 0.136
552 HG3 ARG 67 HG1 ARG 67 -17.510 -8.061 -0.194
553 HD2 ARG 67 HD2 ARG 67 -18.785 -5.393 0.273
554 HD3 ARG 67 HD1 ARG 67 -18.667 -6.230 -1.279
555 HE ARG 67 HE ARG 67 -20.067 -7.575 0.918
556 HH11 ARG 67 HH11 ARG 67 -20.264 -5.854 -2.134
557 HH12 ARG 67 HH12 ARG 67 -21.867 -6.440 -2.489
558 HH21 ARG 67 HH21 ARG 67 -22.144 -8.333 0.446
559 HH22 ARG 67 HH22 ARG 67 -22.942 -7.822 -1.009
560 H TYR 68 HN TYR 68 -14.962 -8.043 0.407
561 HA TYR 68 HA TYR 68 -15.400 -10.929 0.382
562 HB2 TYR 68 HB2 TYR 68 -15.689 -9.296 -1.640
563 HB3 TYR 68 HB1 TYR 68 -13.940 -9.430 -1.770
564 HD1 TYR 68 HD2 TYR 68 -16.872 -11.697 -1.310
565 HD2 TYR 68 HD1 TYR 68 -13.155 -11.008 -3.258
566 HE1 TYR 68 HE2 TYR 68 -17.154 -13.787 -2.572
567 HE2 TYR 68 HE1 TYR 68 -13.428 -13.095 -4.527
568 HH TYR 68 HH TYR 68 -14.617 -15.197 -4.393
569 H GLY 69 HN GLY 69 -13.325 -9.030 1.853
570 HA2 GLY 69 HA2 GLY 69 -10.923 -10.601 1.405
571 HA3 GLY 69 HA1 GLY 69 -11.153 -9.329 2.605
572 H ARG 70 HN ARG 70 -13.273 -10.050 3.934
573 HA ARG 70 HA ARG 70 -12.417 -12.083 5.695
574 HB2 ARG 70 HB2 ARG 70 -15.234 -11.019 5.472
575 HB3 ARG 70 HB1 ARG 70 -14.453 -11.701 6.891
576 HG2 ARG 70 HG2 ARG 70 -13.663 -9.130 5.552
577 HG3 ARG 70 HG1 ARG 70 -14.669 -9.254 6.996
578 HD2 ARG 70 HD2 ARG 70 -12.848 -10.232 8.231
579 HD3 ARG 70 HD1 ARG 70 -11.852 -10.303 6.775
580 HE ARG 70 HE ARG 70 -12.732 -7.643 7.382
581 HH11 ARG 70 HH11 ARG 70 -10.330 -10.072 8.155
582 HH12 ARG 70 HH12 ARG 70 -9.126 -8.909 8.622
583 HH21 ARG 70 HH21 ARG 70 -11.157 -6.119 7.976
584 HH22 ARG 70 HH22 ARG 70 -9.587 -6.654 8.513
585 H GLU 71 HN GLU 71 -14.849 -11.987 3.141
586 HA GLU 71 HA GLU 71 -15.733 -14.679 3.625
587 HB2 GLU 71 HB2 GLU 71 -16.333 -12.743 1.383
588 HB3 GLU 71 HB1 GLU 71 -17.089 -14.321 1.560
589 HG2 GLU 71 HG2 GLU 71 -18.032 -13.646 3.699
590 HG3 GLU 71 HG1 GLU 71 -17.254 -12.072 3.552
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -10.632 -2.122 11.899
2 H2 MET 1 HT2 MET 1 -11.510 -2.006 13.348
3 H3 MET 1 HT3 MET 1 -10.120 -1.059 13.117
4 HA MET 1 HA MET 1 -12.676 -0.839 11.642
5 HB2 MET 1 HB2 MET 1 -12.668 0.079 13.951
6 HB3 MET 1 HB1 MET 1 -11.283 1.076 13.531
7 HG2 MET 1 HG2 MET 1 -12.627 2.265 11.882
8 HG3 MET 1 HG1 MET 1 -14.016 1.255 12.281
9 HE1 MET 1 HE1 MET 1 -15.470 3.482 12.693
10 HE2 MET 1 HE2 MET 1 -14.053 4.449 12.284
11 HE3 MET 1 HE3 MET 1 -14.954 4.784 13.764
12 H ALA 2 HN ALA 2 -11.623 -1.088 9.642
13 HA ALA 2 HA ALA 2 -10.818 -0.265 7.689
14 HB1 ALA 2 HB1 ALA 2 -11.895 1.844 8.230
15 HB2 ALA 2 HB2 ALA 2 -10.344 2.125 7.437
16 HB3 ALA 2 HB3 ALA 2 -10.494 2.333 9.182
17 H SER 3 HN SER 3 -8.779 1.528 10.008
18 HA SER 3 HA SER 3 -6.537 1.592 10.321
19 HB2 SER 3 HB2 SER 3 -6.643 -1.288 9.393
20 HB3 SER 3 HB1 SER 3 -5.318 -0.536 10.282
21 HG SER 3 HG SER 3 -7.148 -0.012 11.857
22 H TYR 4 HN TYR 4 -7.653 2.254 7.655
23 HA TYR 4 HA TYR 4 -5.806 1.413 5.674
24 HB2 TYR 4 HB2 TYR 4 -7.726 3.740 5.791
25 HB3 TYR 4 HB1 TYR 4 -6.717 3.409 4.386
26 HD1 TYR 4 HD1 TYR 4 -6.896 0.881 3.532
27 HD2 TYR 4 HD2 TYR 4 -9.871 2.925 5.780
28 HE1 TYR 4 HE1 TYR 4 -8.600 -0.666 2.669
29 HE2 TYR 4 HE2 TYR 4 -11.585 1.383 4.929
30 HH TYR 4 HH TYR 4 -10.838 -1.503 3.333
31 H TYR 5 HN TYR 5 -5.939 4.112 7.901
32 HA TYR 5 HA TYR 5 -3.765 5.595 6.918
33 HB2 TYR 5 HB2 TYR 5 -5.457 6.259 8.711
34 HB3 TYR 5 HB1 TYR 5 -4.517 5.285 9.830
35 HD1 TYR 5 HD1 TYR 5 -4.519 8.309 7.752
36 HD2 TYR 5 HD2 TYR 5 -2.415 6.097 10.709
37 HE1 TYR 5 HE1 TYR 5 -3.095 10.262 8.183
38 HE2 TYR 5 HE2 TYR 5 -0.973 8.045 11.143
39 HH TYR 5 HH TYR 5 -0.237 10.072 10.092
40 H GLU 6 HN GLU 6 -4.009 2.782 8.975
41 HA GLU 6 HA GLU 6 -1.266 2.712 9.734
42 HB2 GLU 6 HB2 GLU 6 -3.528 0.750 9.932
43 HB3 GLU 6 HB1 GLU 6 -1.889 0.331 10.425
44 HG2 GLU 6 HG2 GLU 6 -3.515 2.613 11.492
45 HG3 GLU 6 HG1 GLU 6 -3.236 1.074 12.314
46 H ILE 7 HN ILE 7 -3.210 1.046 7.279
47 HA ILE 7 HA ILE 7 -1.144 -0.764 6.587
48 HB ILE 7 HB ILE 7 -2.525 -1.365 4.628
49 HG12 ILE 7 HG12 ILE 7 -4.969 -0.267 4.943
50 HG13 ILE 7 HG11 ILE 7 -3.971 1.106 5.405
51 HG21 ILE 7 HG21 ILE 7 -4.273 -2.393 5.862
52 HG22 ILE 7 HG22 ILE 7 -4.199 -1.150 7.112
53 HG23 ILE 7 HG23 ILE 7 -2.868 -2.297 6.927
54 HD11 ILE 7 HD11 ILE 7 -2.797 0.932 3.244
55 HD12 ILE 7 HD12 ILE 7 -4.522 1.243 3.075
56 HD13 ILE 7 HD13 ILE 7 -3.889 -0.375 2.788
57 H LEU 8 HN LEU 8 -2.190 2.314 5.142
58 HA LEU 8 HA LEU 8 0.135 2.112 3.370
59 HB2 LEU 8 HB2 LEU 8 -2.078 2.611 2.337
60 HB3 LEU 8 HB1 LEU 8 -2.112 4.120 3.232
61 HG LEU 8 HG LEU 8 -0.062 4.845 2.047
62 HD11 LEU 8 HD11 LEU 8 0.686 3.594 0.081
63 HD12 LEU 8 HD12 LEU 8 -0.459 2.308 0.463
64 HD13 LEU 8 HD13 LEU 8 0.878 2.652 1.560
65 HD21 LEU 8 HD21 LEU 8 -2.251 5.507 1.215
66 HD22 LEU 8 HD22 LEU 8 -2.349 4.028 0.260
67 HD23 LEU 8 HD23 LEU 8 -1.128 5.243 -0.119
68 H ASP 9 HN ASP 9 -1.127 5.216 4.039
69 HA ASP 9 HA ASP 9 0.761 5.954 6.080
70 HB2 ASP 9 HB2 ASP 9 1.155 6.874 3.226
71 HB3 ASP 9 HB1 ASP 9 1.811 7.747 4.605
72 H VAL 10 HN VAL 10 -1.832 6.575 3.932
73 HA VAL 10 HA VAL 10 -2.429 9.119 5.292
74 HB VAL 10 HB VAL 10 -3.673 9.777 3.252
75 HG11 VAL 10 HG11 VAL 10 -0.779 9.057 2.798
76 HG12 VAL 10 HG12 VAL 10 -1.389 10.534 3.546
77 HG13 VAL 10 HG13 VAL 10 -1.708 10.212 1.842
78 HG21 VAL 10 HG21 VAL 10 -2.469 7.277 2.058
79 HG22 VAL 10 HG22 VAL 10 -3.363 8.519 1.180
80 HG23 VAL 10 HG23 VAL 10 -4.179 7.544 2.401
81 HA PRO 11 HA PRO 11 -6.081 7.628 7.002
82 HB2 PRO 11 HB2 PRO 11 -8.008 9.470 6.277
83 HB3 PRO 11 HB1 PRO 11 -6.837 9.683 7.584
84 HG2 PRO 11 HG2 PRO 11 -6.761 10.708 4.778
85 HG3 PRO 11 HG1 PRO 11 -6.289 11.521 6.281
86 HD2 PRO 11 HD2 PRO 11 -4.463 10.494 4.607
87 HD3 PRO 11 HD1 PRO 11 -4.241 10.432 6.370
88 H ARG 12 HN ARG 12 -7.837 9.074 4.299
89 HA ARG 12 HA ARG 12 -8.292 6.677 2.883
90 HB2 ARG 12 HB2 ARG 12 -10.688 6.336 3.502
91 HB3 ARG 12 HB1 ARG 12 -9.556 5.941 4.787
92 HG2 ARG 12 HG2 ARG 12 -10.033 8.097 5.853
93 HG3 ARG 12 HG1 ARG 12 -11.185 8.470 4.571
94 HD2 ARG 12 HD2 ARG 12 -12.501 6.498 5.205
95 HD3 ARG 12 HD1 ARG 12 -11.359 6.163 6.503
96 HE ARG 12 HE ARG 12 -12.322 8.794 6.778
97 HH11 ARG 12 HH11 ARG 12 -13.433 5.483 7.084
98 HH12 ARG 12 HH12 ARG 12 -14.608 5.863 8.307
99 HH21 ARG 12 HH21 ARG 12 -13.870 9.292 8.377
100 HH22 ARG 12 HH22 ARG 12 -14.873 8.020 9.026
101 H SER 13 HN SER 13 -9.499 9.884 3.753
102 HA SER 13 HA SER 13 -10.729 10.148 1.110
103 HB2 SER 13 HB2 SER 13 -11.911 10.875 3.244
104 HB3 SER 13 HB1 SER 13 -10.739 12.187 3.344
105 HG SER 13 HG SER 13 -12.022 13.219 2.048
106 H ALA 14 HN ALA 14 -7.815 10.046 1.540
107 HA ALA 14 HA ALA 14 -6.827 12.693 1.031
108 HB1 ALA 14 HB1 ALA 14 -5.459 11.172 2.293
109 HB2 ALA 14 HB2 ALA 14 -4.672 11.505 0.757
110 HB3 ALA 14 HB3 ALA 14 -5.513 9.983 0.993
111 H SER 15 HN SER 15 -6.063 13.473 -0.928
112 HA SER 15 HA SER 15 -7.224 12.702 -3.329
113 HB2 SER 15 HB2 SER 15 -4.529 14.050 -3.037
114 HB3 SER 15 HB1 SER 15 -5.667 14.212 -4.376
115 HG SER 15 HG SER 15 -7.164 15.027 -2.651
116 H ALA 16 HN ALA 16 -6.786 11.194 -4.805
117 HA ALA 16 HA ALA 16 -5.513 8.873 -4.052
118 HB1 ALA 16 HB1 ALA 16 -7.283 9.030 -5.743
119 HB2 ALA 16 HB2 ALA 16 -5.909 8.069 -6.287
120 HB3 ALA 16 HB3 ALA 16 -6.121 9.720 -6.876
121 H ASP 17 HN ASP 17 -4.175 11.536 -5.941
122 HA ASP 17 HA ASP 17 -1.857 10.228 -6.864
123 HB2 ASP 17 HB2 ASP 17 -2.673 12.493 -7.624
124 HB3 ASP 17 HB1 ASP 17 -2.027 13.132 -6.118
125 H ASP 18 HN ASP 18 -2.623 11.782 -3.828
126 HA ASP 18 HA ASP 18 0.017 11.787 -2.773
127 HB2 ASP 18 HB2 ASP 18 -1.996 13.146 -1.952
128 HB3 ASP 18 HB1 ASP 18 -2.507 11.670 -1.133
129 H ILE 19 HN ILE 19 -2.697 9.541 -2.643
130 HA ILE 19 HA ILE 19 -1.527 7.545 -1.072
131 HB ILE 19 HB ILE 19 -3.527 7.415 -3.306
132 HG12 ILE 19 HG12 ILE 19 -4.887 6.484 -1.323
133 HG13 ILE 19 HG11 ILE 19 -3.591 7.133 -0.325
134 HG21 ILE 19 HG21 ILE 19 -2.210 5.349 -3.433
135 HG22 ILE 19 HG22 ILE 19 -3.861 5.050 -2.889
136 HG23 ILE 19 HG23 ILE 19 -2.535 5.048 -1.725
137 HD11 ILE 19 HD11 ILE 19 -5.582 8.564 -2.004
138 HD12 ILE 19 HD12 ILE 19 -4.018 9.296 -1.661
139 HD13 ILE 19 HD13 ILE 19 -5.095 8.857 -0.332
140 H LYS 20 HN LYS 20 -1.313 8.177 -4.554
141 HA LYS 20 HA LYS 20 0.420 6.069 -5.228
142 HB2 LYS 20 HB2 LYS 20 0.543 8.806 -6.493
143 HB3 LYS 20 HB1 LYS 20 0.909 7.255 -7.232
144 HG2 LYS 20 HG2 LYS 20 -1.831 8.145 -6.367
145 HG3 LYS 20 HG1 LYS 20 -1.202 8.251 -8.008
146 HD2 LYS 20 HD2 LYS 20 -0.994 5.828 -8.108
147 HD3 LYS 20 HD1 LYS 20 -1.554 5.699 -6.437
148 HE2 LYS 20 HE2 LYS 20 -3.698 6.637 -7.045
149 HE3 LYS 20 HE1 LYS 20 -3.143 6.907 -8.695
150 HZ1 LYS 20 HZ1 LYS 20 -2.919 4.496 -8.950
151 HZ2 LYS 20 HZ2 LYS 20 -4.509 4.951 -8.581
152 HZ3 LYS 20 HZ3 LYS 20 -3.529 4.269 -7.382
153 H LYS 21 HN LYS 21 1.017 9.328 -3.974
154 HA LYS 21 HA LYS 21 3.835 9.230 -4.076
155 HB2 LYS 21 HB2 LYS 21 1.964 10.770 -2.284
156 HB3 LYS 21 HB1 LYS 21 3.710 10.948 -2.214
157 HG2 LYS 21 HG2 LYS 21 1.970 11.518 -4.603
158 HG3 LYS 21 HG1 LYS 21 2.682 12.716 -3.521
159 HD2 LYS 21 HD2 LYS 21 4.268 12.755 -5.149
160 HD3 LYS 21 HD1 LYS 21 4.902 11.403 -4.208
161 HE2 LYS 21 HE2 LYS 21 4.840 10.928 -6.617
162 HE3 LYS 21 HE1 LYS 21 3.836 9.814 -5.680
163 HZ1 LYS 21 HZ1 LYS 21 2.696 10.582 -7.681
164 HZ2 LYS 21 HZ2 LYS 21 2.871 12.196 -7.200
165 HZ3 LYS 21 HZ3 LYS 21 1.889 11.151 -6.302
166 H ALA 22 HN ALA 22 1.577 8.416 -1.444
167 HA ALA 22 HA ALA 22 3.518 7.708 0.450
168 HB1 ALA 22 HB1 ALA 22 1.734 6.539 1.621
169 HB2 ALA 22 HB2 ALA 22 0.717 6.600 0.183
170 HB3 ALA 22 HB3 ALA 22 1.162 8.090 1.013
171 H TYR 23 HN TYR 23 1.908 5.829 -2.048
172 HA TYR 23 HA TYR 23 3.111 3.355 -1.414
173 HB2 TYR 23 HB2 TYR 23 1.339 2.937 -2.743
174 HB3 TYR 23 HB1 TYR 23 1.477 4.469 -3.600
175 HD1 TYR 23 HD2 TYR 23 2.872 1.021 -3.427
176 HD2 TYR 23 HD1 TYR 23 2.407 4.552 -5.754
177 HE1 TYR 23 HE2 TYR 23 3.747 -0.167 -5.392
178 HE2 TYR 23 HE1 TYR 23 3.280 3.375 -7.726
179 HH TYR 23 HH TYR 23 3.593 0.028 -7.877
180 H ARG 24 HN ARG 24 3.973 5.840 -3.827
181 HA ARG 24 HA ARG 24 6.200 4.377 -4.797
182 HB2 ARG 24 HB2 ARG 24 5.131 7.137 -5.221
183 HB3 ARG 24 HB1 ARG 24 6.824 6.833 -5.631
184 HG2 ARG 24 HG2 ARG 24 6.238 5.136 -7.169
185 HG3 ARG 24 HG1 ARG 24 4.565 5.123 -6.610
186 HD2 ARG 24 HD2 ARG 24 4.247 7.366 -7.445
187 HD3 ARG 24 HD1 ARG 24 5.932 7.439 -7.960
188 HE ARG 24 HE ARG 24 5.448 5.703 -9.585
189 HH11 ARG 24 HH11 ARG 24 2.680 7.304 -8.167
190 HH12 ARG 24 HH12 ARG 24 1.601 6.871 -9.456
191 HH21 ARG 24 HH21 ARG 24 4.025 5.110 -11.270
192 HH22 ARG 24 HH22 ARG 24 2.368 5.633 -11.227
193 H ARG 25 HN ARG 25 5.894 6.924 -2.374
194 HA ARG 25 HA ARG 25 8.641 7.252 -1.845
195 HB2 ARG 25 HB2 ARG 25 7.296 8.866 -0.844
196 HB3 ARG 25 HB1 ARG 25 6.128 7.684 -0.272
197 HG2 ARG 25 HG2 ARG 25 7.886 6.886 1.337
198 HG3 ARG 25 HG1 ARG 25 8.838 8.298 0.869
199 HD2 ARG 25 HD2 ARG 25 7.377 9.775 1.857
200 HD3 ARG 25 HD1 ARG 25 6.004 8.673 1.722
201 HE ARG 25 HE ARG 25 8.200 8.356 3.679
202 HH11 ARG 25 HH11 ARG 25 4.822 8.215 2.800
203 HH12 ARG 25 HH12 ARG 25 4.338 7.406 4.264
204 HH21 ARG 25 HH21 ARG 25 7.566 7.282 5.618
205 HH22 ARG 25 HH22 ARG 25 5.885 6.915 5.868
206 H LYS 26 HN LYS 26 6.254 5.013 -0.478
207 HA LYS 26 HA LYS 26 7.982 3.802 1.395
208 HB2 LYS 26 HB2 LYS 26 5.488 3.742 1.390
209 HB3 LYS 26 HB1 LYS 26 5.555 2.664 0.006
210 HG2 LYS 26 HG2 LYS 26 6.817 1.054 1.399
211 HG3 LYS 26 HG1 LYS 26 6.532 2.108 2.793
212 HD2 LYS 26 HD2 LYS 26 4.454 0.785 1.067
213 HD3 LYS 26 HD1 LYS 26 4.855 0.359 2.734
214 HE2 LYS 26 HE2 LYS 26 3.661 2.967 1.784
215 HE3 LYS 26 HE1 LYS 26 2.799 1.675 2.613
216 HZ1 LYS 26 HZ1 LYS 26 5.103 3.092 3.814
217 HZ2 LYS 26 HZ2 LYS 26 3.983 2.089 4.591
218 HZ3 LYS 26 HZ3 LYS 26 3.503 3.612 4.011
219 H ALA 27 HN ALA 27 7.016 2.991 -1.894
220 HA ALA 27 HA ALA 27 8.500 0.637 -2.225
221 HB1 ALA 27 HB1 ALA 27 8.052 2.543 -4.485
222 HB2 ALA 27 HB2 ALA 27 6.685 1.730 -3.734
223 HB3 ALA 27 HB3 ALA 27 7.975 0.780 -4.479
224 H LEU 28 HN LEU 28 9.375 4.020 -2.610
225 HA LEU 28 HA LEU 28 11.834 3.602 -3.932
226 HB2 LEU 28 HB2 LEU 28 10.307 5.807 -3.084
227 HB3 LEU 28 HB1 LEU 28 11.882 5.991 -2.331
228 HG LEU 28 HG LEU 28 12.901 5.708 -4.616
229 HD11 LEU 28 HD11 LEU 28 10.128 6.228 -5.645
230 HD12 LEU 28 HD12 LEU 28 10.782 4.601 -5.489
231 HD13 LEU 28 HD13 LEU 28 11.573 5.768 -6.550
232 HD21 LEU 28 HD21 LEU 28 12.374 7.989 -5.334
233 HD22 LEU 28 HD22 LEU 28 12.620 7.912 -3.590
234 HD23 LEU 28 HD23 LEU 28 10.987 8.015 -4.246
235 H GLN 29 HN GLN 29 10.977 3.812 -0.512
236 HA GLN 29 HA GLN 29 13.612 3.983 0.482
237 HB2 GLN 29 HB2 GLN 29 11.575 4.459 1.827
238 HB3 GLN 29 HB1 GLN 29 11.223 2.736 1.853
239 HG2 GLN 29 HG2 GLN 29 13.300 2.313 3.044
240 HG3 GLN 29 HG1 GLN 29 13.696 4.029 2.986
241 HE21 GLN 29 HE21 GLN 29 13.393 2.291 5.263
242 HE22 GLN 29 HE22 GLN 29 12.148 2.982 6.247
243 H TRP 30 HN TRP 30 11.629 1.256 -0.458
244 HA TRP 30 HA TRP 30 13.812 -0.587 0.239
245 HB2 TRP 30 HB2 TRP 30 10.875 -1.095 -0.263
246 HB3 TRP 30 HB1 TRP 30 12.067 -2.374 -0.053
247 HD1 TRP 30 HD1 TRP 30 9.950 0.067 1.895
248 HE1 TRP 30 HE1 TRP 30 10.306 -0.317 4.418
249 HE3 TRP 30 HE3 TRP 30 13.974 -3.096 1.676
250 HZ2 TRP 30 HZ2 TRP 30 12.072 -1.754 6.087
251 HZ3 TRP 30 HZ3 TRP 30 14.936 -3.923 3.787
252 HH2 TRP 30 HH2 TRP 30 14.005 -3.265 5.944
253 H HIS 31 HN HIS 31 13.466 1.227 -2.138
254 HA HIS 31 HA HIS 31 12.971 -0.404 -4.423
255 HB2 HIS 31 HB2 HIS 31 13.230 2.309 -3.927
256 HB3 HIS 31 HB1 HIS 31 14.700 1.939 -4.821
257 HD1 HIS 31 HD1 HIS 31 14.448 2.225 -7.271
258 HD2 HIS 31 HD2 HIS 31 10.847 1.238 -5.422
259 HE1 HIS 31 HE1 HIS 31 12.711 2.269 -9.092
260 HE2 HIS 31 HE2 HIS 31 10.579 1.494 -7.981
261 HA PRO 32 HA PRO 32 16.798 -2.571 -4.910
262 HB2 PRO 32 HB2 PRO 32 17.345 -2.039 -7.592
263 HB3 PRO 32 HB1 PRO 32 16.330 -3.353 -6.992
264 HG2 PRO 32 HG2 PRO 32 15.540 -0.667 -8.031
265 HG3 PRO 32 HG1 PRO 32 14.763 -2.242 -8.283
266 HD2 PRO 32 HD2 PRO 32 13.742 -0.475 -6.563
267 HD3 PRO 32 HD1 PRO 32 13.754 -2.211 -6.174
268 H ASP 33 HN ASP 33 16.586 0.700 -6.125
269 HA ASP 33 HA ASP 33 19.379 1.196 -6.287
270 HB2 ASP 33 HB2 ASP 33 17.267 3.292 -5.809
271 HB3 ASP 33 HB1 ASP 33 18.803 3.470 -6.651
272 H LYS 34 HN LYS 34 17.124 1.120 -3.679
273 HA LYS 34 HA LYS 34 18.973 2.581 -1.932
274 HB2 LYS 34 HB2 LYS 34 16.484 3.343 -2.460
275 HB3 LYS 34 HB1 LYS 34 16.122 2.184 -1.184
276 HG2 LYS 34 HG2 LYS 34 16.333 4.343 -0.194
277 HG3 LYS 34 HG1 LYS 34 17.747 3.387 0.271
278 HD2 LYS 34 HD2 LYS 34 18.761 5.342 -0.379
279 HD3 LYS 34 HD1 LYS 34 18.772 4.422 -1.894
280 HE2 LYS 34 HE2 LYS 34 18.047 6.690 -2.327
281 HE3 LYS 34 HE1 LYS 34 16.707 5.573 -2.581
282 HZ1 LYS 34 HZ1 LYS 34 16.092 7.612 -1.348
283 HZ2 LYS 34 HZ2 LYS 34 17.124 7.131 -0.086
284 HZ3 LYS 34 HZ3 LYS 34 15.775 6.189 -0.479
285 H ASN 35 HN ASN 35 17.988 -0.530 -2.584
286 HA ASN 35 HA ASN 35 17.968 -1.260 0.258
287 HB2 ASN 35 HB2 ASN 35 16.897 -3.358 -0.360
288 HB3 ASN 35 HB1 ASN 35 15.983 -1.998 -1.000
289 HD21 ASN 35 HD21 ASN 35 14.954 -3.171 -2.510
290 HD22 ASN 35 HD22 ASN 35 15.724 -3.840 -3.912
291 HA PRO 36 HA PRO 36 21.918 -3.060 -0.339
292 HB2 PRO 36 HB2 PRO 36 22.259 -3.915 2.210
293 HB3 PRO 36 HB1 PRO 36 22.317 -2.213 1.746
294 HG2 PRO 36 HG2 PRO 36 20.276 -3.652 3.267
295 HG3 PRO 36 HG1 PRO 36 20.549 -1.908 3.131
296 HD2 PRO 36 HD2 PRO 36 18.609 -3.559 1.746
297 HD3 PRO 36 HD1 PRO 36 18.775 -1.792 1.732
298 H ASP 37 HN ASP 37 21.335 -5.300 2.180
299 HA ASP 37 HA ASP 37 21.514 -7.452 0.199
300 HB2 ASP 37 HB2 ASP 37 22.170 -7.377 3.135
301 HB3 ASP 37 HB1 ASP 37 22.187 -8.857 2.181
302 H ASN 38 HN ASN 38 19.187 -5.988 2.061
303 HA ASN 38 HA ASN 38 17.675 -8.448 2.477
304 HB2 ASN 38 HB2 ASN 38 17.063 -5.592 3.271
305 HB3 ASN 38 HB1 ASN 38 16.004 -6.959 3.593
306 HD21 ASN 38 HD21 ASN 38 18.831 -5.256 4.546
307 HD22 ASN 38 HD22 ASN 38 19.209 -6.221 5.932
308 H LYS 39 HN LYS 39 16.910 -9.134 0.571
309 HA LYS 39 HA LYS 39 15.480 -7.221 -1.143
310 HB2 LYS 39 HB2 LYS 39 16.231 -10.092 -1.722
311 HB3 LYS 39 HB1 LYS 39 15.584 -8.926 -2.868
312 HG2 LYS 39 HG2 LYS 39 18.262 -8.741 -1.502
313 HG3 LYS 39 HG1 LYS 39 17.982 -9.274 -3.160
314 HD2 LYS 39 HD2 LYS 39 16.995 -7.058 -3.661
315 HD3 LYS 39 HD1 LYS 39 17.406 -6.539 -2.025
316 HE2 LYS 39 HE2 LYS 39 19.083 -5.777 -3.608
317 HE3 LYS 39 HE1 LYS 39 19.776 -6.958 -2.496
318 HZ1 LYS 39 HZ1 LYS 39 20.518 -7.447 -4.697
319 HZ2 LYS 39 HZ2 LYS 39 18.934 -7.425 -5.305
320 HZ3 LYS 39 HZ3 LYS 39 19.417 -8.657 -4.247
321 H GLU 40 HN GLU 40 15.151 -10.010 0.857
322 HA GLU 40 HA GLU 40 12.609 -10.928 0.155
323 HB2 GLU 40 HB2 GLU 40 14.230 -12.035 1.725
324 HB3 GLU 40 HB1 GLU 40 13.786 -10.844 2.939
325 HG2 GLU 40 HG2 GLU 40 11.362 -11.695 2.409
326 HG3 GLU 40 HG1 GLU 40 12.231 -13.127 1.861
327 H PHE 41 HN PHE 41 13.617 -8.459 2.459
328 HA PHE 41 HA PHE 41 10.988 -7.793 3.308
329 HB2 PHE 41 HB2 PHE 41 13.590 -6.276 3.525
330 HB3 PHE 41 HB1 PHE 41 12.083 -5.776 4.286
331 HD1 PHE 41 HD1 PHE 41 14.793 -8.242 4.320
332 HD2 PHE 41 HD2 PHE 41 11.209 -6.925 6.201
333 HE1 PHE 41 HE1 PHE 41 15.292 -9.668 6.261
334 HE2 PHE 41 HE2 PHE 41 11.706 -8.345 8.147
335 HZ PHE 41 HZ PHE 41 13.748 -9.719 8.178
336 H ALA 42 HN ALA 42 13.153 -6.597 0.826
337 HA ALA 42 HA ALA 42 11.722 -4.267 0.155
338 HB1 ALA 42 HB1 ALA 42 13.589 -5.969 -1.490
339 HB2 ALA 42 HB2 ALA 42 13.992 -4.514 -0.572
340 HB3 ALA 42 HB3 ALA 42 12.962 -4.402 -1.998
341 H GLU 43 HN GLU 43 11.565 -7.597 -1.147
342 HA GLU 43 HA GLU 43 9.553 -6.938 -3.045
343 HB2 GLU 43 HB2 GLU 43 9.250 -9.327 -3.368
344 HB3 GLU 43 HB1 GLU 43 10.961 -8.935 -3.324
345 HG2 GLU 43 HG2 GLU 43 11.172 -9.819 -1.116
346 HG3 GLU 43 HG1 GLU 43 9.427 -10.025 -0.979
347 H LYS 44 HN LYS 44 9.458 -8.182 0.280
348 HA LYS 44 HA LYS 44 6.700 -8.647 0.442
349 HB2 LYS 44 HB2 LYS 44 8.779 -7.930 2.479
350 HB3 LYS 44 HB1 LYS 44 7.085 -7.996 2.939
351 HG2 LYS 44 HG2 LYS 44 7.011 -10.333 2.105
352 HG3 LYS 44 HG1 LYS 44 8.753 -10.240 1.832
353 HD2 LYS 44 HD2 LYS 44 9.181 -9.925 4.153
354 HD3 LYS 44 HD1 LYS 44 7.467 -9.692 4.501
355 HE2 LYS 44 HE2 LYS 44 8.062 -11.895 5.201
356 HE3 LYS 44 HE1 LYS 44 7.071 -12.039 3.752
357 HZ1 LYS 44 HZ1 LYS 44 10.027 -12.300 3.928
358 HZ2 LYS 44 HZ2 LYS 44 9.159 -12.279 2.468
359 HZ3 LYS 44 HZ3 LYS 44 8.906 -13.530 3.586
360 H LYS 45 HN LYS 45 8.570 -5.712 1.114
361 HA LYS 45 HA LYS 45 6.373 -4.153 1.968
362 HB2 LYS 45 HB2 LYS 45 9.128 -3.451 0.981
363 HB3 LYS 45 HB1 LYS 45 7.955 -2.210 1.409
364 HG2 LYS 45 HG2 LYS 45 9.090 -4.333 3.216
365 HG3 LYS 45 HG1 LYS 45 9.372 -2.592 3.293
366 HD2 LYS 45 HD2 LYS 45 6.918 -2.306 3.669
367 HD3 LYS 45 HD1 LYS 45 6.803 -4.056 3.797
368 HE2 LYS 45 HE2 LYS 45 8.320 -4.036 5.687
369 HE3 LYS 45 HE1 LYS 45 8.493 -2.290 5.550
370 HZ1 LYS 45 HZ1 LYS 45 6.143 -2.043 6.032
371 HZ2 LYS 45 HZ2 LYS 45 6.909 -2.901 7.279
372 HZ3 LYS 45 HZ3 LYS 45 5.958 -3.724 6.142
373 H PHE 46 HN PHE 46 7.831 -4.752 -1.150
374 HA PHE 46 HA PHE 46 6.390 -2.769 -2.577
375 HB2 PHE 46 HB2 PHE 46 8.402 -3.821 -3.504
376 HB3 PHE 46 HB1 PHE 46 7.577 -5.376 -3.560
377 HD1 PHE 46 HD1 PHE 46 7.364 -1.902 -4.871
378 HD2 PHE 46 HD2 PHE 46 6.436 -6.013 -5.475
379 HE1 PHE 46 HE1 PHE 46 6.554 -1.383 -7.137
380 HE2 PHE 46 HE2 PHE 46 5.626 -5.500 -7.741
381 HZ PHE 46 HZ PHE 46 5.682 -3.185 -8.574
382 H LYS 47 HN LYS 47 5.738 -6.161 -1.822
383 HA LYS 47 HA LYS 47 3.400 -6.366 -3.419
384 HB2 LYS 47 HB2 LYS 47 4.202 -7.972 -0.990
385 HB3 LYS 47 HB1 LYS 47 2.923 -8.398 -2.119
386 HG2 LYS 47 HG2 LYS 47 4.514 -8.688 -3.895
387 HG3 LYS 47 HG1 LYS 47 5.823 -8.106 -2.864
388 HD2 LYS 47 HD2 LYS 47 5.255 -10.025 -1.308
389 HD3 LYS 47 HD1 LYS 47 4.248 -10.654 -2.613
390 HE2 LYS 47 HE2 LYS 47 6.190 -10.732 -4.086
391 HE3 LYS 47 HE1 LYS 47 7.202 -10.069 -2.801
392 HZ1 LYS 47 HZ1 LYS 47 5.883 -12.723 -2.893
393 HZ2 LYS 47 HZ2 LYS 47 6.510 -12.068 -1.460
394 HZ3 LYS 47 HZ3 LYS 47 7.541 -12.378 -2.768
395 H GLU 48 HN GLU 48 3.920 -5.679 0.031
396 HA GLU 48 HA GLU 48 1.163 -5.673 0.671
397 HB2 GLU 48 HB2 GLU 48 1.834 -4.640 2.806
398 HB3 GLU 48 HB1 GLU 48 2.792 -6.058 2.414
399 HG2 GLU 48 HG2 GLU 48 4.621 -4.634 1.685
400 HG3 GLU 48 HG1 GLU 48 3.651 -3.202 2.035
401 H VAL 49 HN VAL 49 3.392 -3.079 -0.277
402 HA VAL 49 HA VAL 49 1.462 -1.036 0.202
403 HB VAL 49 HB VAL 49 3.861 -0.494 0.111
404 HG11 VAL 49 HG11 VAL 49 3.633 -0.910 -2.865
405 HG12 VAL 49 HG12 VAL 49 4.482 -1.985 -1.754
406 HG13 VAL 49 HG13 VAL 49 5.050 -0.331 -1.985
407 HG21 VAL 49 HG21 VAL 49 3.635 1.599 -0.972
408 HG22 VAL 49 HG22 VAL 49 2.048 1.180 -0.325
409 HG23 VAL 49 HG23 VAL 49 2.380 0.978 -2.041
410 H ALA 50 HN ALA 50 2.331 -3.007 -2.590
411 HA ALA 50 HA ALA 50 0.863 -1.568 -4.499
412 HB1 ALA 50 HB1 ALA 50 1.048 -3.494 -5.913
413 HB2 ALA 50 HB2 ALA 50 1.458 -4.488 -4.525
414 HB3 ALA 50 HB3 ALA 50 2.570 -3.238 -5.058
415 H GLU 51 HN GLU 51 -0.062 -4.316 -2.445
416 HA GLU 51 HA GLU 51 -2.669 -4.509 -3.578
417 HB2 GLU 51 HB2 GLU 51 -3.142 -6.060 -1.743
418 HB3 GLU 51 HB1 GLU 51 -1.607 -6.433 -2.509
419 HG2 GLU 51 HG2 GLU 51 -0.427 -5.329 -0.665
420 HG3 GLU 51 HG1 GLU 51 -1.969 -4.968 0.098
421 H ALA 52 HN ALA 52 -1.299 -2.928 -0.761
422 HA ALA 52 HA ALA 52 -3.823 -2.230 0.369
423 HB1 ALA 52 HB1 ALA 52 -1.722 -2.610 1.646
424 HB2 ALA 52 HB2 ALA 52 -2.570 -1.115 2.053
425 HB3 ALA 52 HB3 ALA 52 -1.132 -1.063 1.031
426 H TYR 53 HN TYR 53 -1.419 -0.492 -1.587
427 HA TYR 53 HA TYR 53 -2.799 2.003 -1.387
428 HB2 TYR 53 HB2 TYR 53 -0.945 2.818 -2.341
429 HB3 TYR 53 HB1 TYR 53 -0.304 1.183 -2.337
430 HD1 TYR 53 HD2 TYR 53 -0.317 -0.161 -4.404
431 HD2 TYR 53 HD1 TYR 53 -1.722 3.854 -4.370
432 HE1 TYR 53 HE2 TYR 53 -0.189 -0.102 -6.860
433 HE2 TYR 53 HE1 TYR 53 -1.599 3.925 -6.823
434 HH TYR 53 HH TYR 53 -1.232 1.157 -8.722
435 H GLU 54 HN GLU 54 -2.877 -0.726 -3.607
436 HA GLU 54 HA GLU 54 -4.377 0.515 -5.646
437 HB2 GLU 54 HB2 GLU 54 -3.179 -1.633 -5.930
438 HB3 GLU 54 HB1 GLU 54 -4.348 -2.410 -4.874
439 HG2 GLU 54 HG2 GLU 54 -6.116 -2.018 -6.448
440 HG3 GLU 54 HG1 GLU 54 -5.046 -1.067 -7.475
441 H VAL 55 HN VAL 55 -5.370 -1.377 -2.808
442 HA VAL 55 HA VAL 55 -8.136 -1.188 -3.396
443 HB VAL 55 HB VAL 55 -7.292 -2.988 -1.998
444 HG11 VAL 55 HG11 VAL 55 -5.558 -1.797 -0.788
445 HG12 VAL 55 HG12 VAL 55 -6.666 -2.604 0.318
446 HG13 VAL 55 HG13 VAL 55 -6.782 -0.864 0.074
447 HG21 VAL 55 HG21 VAL 55 -9.012 -2.932 -0.262
448 HG22 VAL 55 HG22 VAL 55 -9.638 -2.371 -1.814
449 HG23 VAL 55 HG23 VAL 55 -9.246 -1.206 -0.549
450 H LEU 56 HN LEU 56 -5.978 0.761 -1.360
451 HA LEU 56 HA LEU 56 -8.129 2.245 -0.218
452 HB2 LEU 56 HB2 LEU 56 -6.048 1.945 0.986
453 HB3 LEU 56 HB1 LEU 56 -5.174 2.801 -0.269
454 HG LEU 56 HG LEU 56 -6.388 4.868 0.299
455 HD11 LEU 56 HD11 LEU 56 -7.752 4.980 2.309
456 HD12 LEU 56 HD12 LEU 56 -7.586 3.239 2.515
457 HD13 LEU 56 HD13 LEU 56 -8.451 3.878 1.121
458 HD21 LEU 56 HD21 LEU 56 -5.257 5.318 2.367
459 HD22 LEU 56 HD22 LEU 56 -4.238 4.288 1.362
460 HD23 LEU 56 HD23 LEU 56 -5.130 3.592 2.713
461 H SER 57 HN SER 57 -6.126 2.680 -3.043
462 HA SER 57 HA SER 57 -6.829 5.464 -3.317
463 HB2 SER 57 HB2 SER 57 -4.634 4.603 -4.087
464 HB3 SER 57 HB1 SER 57 -5.461 3.621 -5.292
465 HG SER 57 HG SER 57 -6.396 5.941 -5.760
466 H ASP 58 HN ASP 58 -8.223 2.474 -4.195
467 HA ASP 58 HA ASP 58 -9.801 3.782 -6.316
468 HB2 ASP 58 HB2 ASP 58 -8.403 1.910 -7.112
469 HB3 ASP 58 HB1 ASP 58 -9.234 0.830 -5.994
470 H LYS 59 HN LYS 59 -11.900 4.014 -6.004
471 HA LYS 59 HA LYS 59 -12.983 3.438 -3.462
472 HB2 LYS 59 HB2 LYS 59 -13.938 5.344 -4.188
473 HB3 LYS 59 HB1 LYS 59 -13.785 4.903 -5.878
474 HG2 LYS 59 HG2 LYS 59 -15.845 3.532 -4.232
475 HG3 LYS 59 HG1 LYS 59 -16.129 5.196 -4.754
476 HD2 LYS 59 HD2 LYS 59 -15.331 2.969 -6.616
477 HD3 LYS 59 HD1 LYS 59 -17.013 3.424 -6.308
478 HE2 LYS 59 HE2 LYS 59 -14.848 5.179 -7.461
479 HE3 LYS 59 HE1 LYS 59 -16.193 4.463 -8.347
480 HZ1 LYS 59 HZ1 LYS 59 -16.305 6.586 -6.276
481 HZ2 LYS 59 HZ2 LYS 59 -17.683 5.752 -6.805
482 HZ3 LYS 59 HZ3 LYS 59 -16.783 6.686 -7.902
483 H HIS 60 HN HIS 60 -13.231 1.851 -6.591
484 HA HIS 60 HA HIS 60 -15.401 0.153 -5.880
485 HB2 HIS 60 HB2 HIS 60 -13.248 -0.127 -7.978
486 HB3 HIS 60 HB1 HIS 60 -14.527 -1.313 -7.762
487 HD1 HIS 60 HD1 HIS 60 -16.939 0.536 -7.402
488 HD2 HIS 60 HD2 HIS 60 -13.979 1.082 -10.277
489 HE1 HIS 60 HE1 HIS 60 -18.023 1.858 -9.256
490 HE2 HIS 60 HE2 HIS 60 -16.268 1.995 -11.065
491 H LYS 61 HN LYS 61 -11.877 -0.205 -5.764
492 HA LYS 61 HA LYS 61 -11.822 -2.777 -4.634
493 HB2 LYS 61 HB2 LYS 61 -9.934 -0.481 -4.705
494 HB3 LYS 61 HB1 LYS 61 -9.620 -1.761 -3.546
495 HG2 LYS 61 HG2 LYS 61 -8.371 -2.123 -5.582
496 HG3 LYS 61 HG1 LYS 61 -9.568 -3.396 -5.360
497 HD2 LYS 61 HD2 LYS 61 -11.030 -2.362 -6.975
498 HD3 LYS 61 HD1 LYS 61 -9.925 -0.996 -7.141
499 HE2 LYS 61 HE2 LYS 61 -9.684 -2.573 -8.979
500 HE3 LYS 61 HE1 LYS 61 -8.207 -2.469 -8.027
501 HZ1 LYS 61 HZ1 LYS 61 -8.637 -4.747 -8.514
502 HZ2 LYS 61 HZ2 LYS 61 -10.238 -4.636 -7.961
503 HZ3 LYS 61 HZ3 LYS 61 -8.953 -4.519 -6.863
504 H ARG 62 HN ARG 62 -12.173 0.405 -3.166
505 HA ARG 62 HA ARG 62 -12.120 -0.348 -0.465
506 HB2 ARG 62 HB2 ARG 62 -13.781 1.815 -1.789
507 HB3 ARG 62 HB1 ARG 62 -13.453 1.696 -0.066
508 HG2 ARG 62 HG2 ARG 62 -11.232 1.918 -2.063
509 HG3 ARG 62 HG1 ARG 62 -12.074 3.343 -1.455
510 HD2 ARG 62 HD2 ARG 62 -10.723 1.276 0.275
511 HD3 ARG 62 HD1 ARG 62 -9.990 2.805 -0.216
512 HE ARG 62 HE ARG 62 -12.146 2.420 1.714
513 HH11 ARG 62 HH11 ARG 62 -10.109 4.632 -0.098
514 HH12 ARG 62 HH12 ARG 62 -10.555 6.017 0.848
515 HH21 ARG 62 HH21 ARG 62 -12.725 4.233 2.961
516 HH22 ARG 62 HH22 ARG 62 -12.066 5.798 2.568
517 H GLU 63 HN GLU 63 -14.751 -0.287 -2.828
518 HA GLU 63 HA GLU 63 -16.799 -1.216 -1.120
519 HB2 GLU 63 HB2 GLU 63 -16.503 -1.613 -4.108
520 HB3 GLU 63 HB1 GLU 63 -17.986 -1.824 -3.189
521 HG2 GLU 63 HG2 GLU 63 -18.012 0.540 -2.647
522 HG3 GLU 63 HG1 GLU 63 -16.487 0.769 -3.500
523 H ILE 64 HN ILE 64 -14.417 -2.846 -3.145
524 HA ILE 64 HA ILE 64 -15.422 -5.464 -2.857
525 HB ILE 64 HB ILE 64 -12.604 -4.528 -3.434
526 HG12 ILE 64 HG12 ILE 64 -14.244 -3.881 -5.134
527 HG13 ILE 64 HG11 ILE 64 -13.153 -5.112 -5.760
528 HG21 ILE 64 HG21 ILE 64 -13.767 -7.300 -3.689
529 HG22 ILE 64 HG22 ILE 64 -12.547 -6.784 -2.525
530 HG23 ILE 64 HG23 ILE 64 -12.171 -6.800 -4.247
531 HD11 ILE 64 HD11 ILE 64 -15.441 -5.517 -6.457
532 HD12 ILE 64 HD12 ILE 64 -15.959 -5.581 -4.771
533 HD13 ILE 64 HD13 ILE 64 -14.865 -6.811 -5.406
534 H TYR 65 HN TYR 65 -12.951 -3.670 -1.006
535 HA TYR 65 HA TYR 65 -12.303 -5.811 0.711
536 HB2 TYR 65 HB2 TYR 65 -10.899 -3.784 0.513
537 HB3 TYR 65 HB1 TYR 65 -12.145 -2.860 1.349
538 HD1 TYR 65 HD2 TYR 65 -9.586 -5.474 1.725
539 HD2 TYR 65 HD1 TYR 65 -12.463 -3.068 3.730
540 HE1 TYR 65 HE2 TYR 65 -8.631 -6.143 3.890
541 HE2 TYR 65 HE1 TYR 65 -11.522 -3.735 5.899
542 HH TYR 65 HH TYR 65 -10.216 -5.736 6.788
543 H ASP 66 HN ASP 66 -14.789 -3.340 0.845
544 HA ASP 66 HA ASP 66 -15.617 -3.747 3.493
545 HB2 ASP 66 HB2 ASP 66 -16.268 -1.819 2.040
546 HB3 ASP 66 HB1 ASP 66 -17.352 -2.894 1.167
547 H ARG 67 HN ARG 67 -16.715 -5.229 0.465
548 HA ARG 67 HA ARG 67 -18.606 -6.898 1.901
549 HB2 ARG 67 HB2 ARG 67 -19.293 -7.667 -0.325
550 HB3 ARG 67 HB1 ARG 67 -19.304 -5.914 -0.206
551 HG2 ARG 67 HG2 ARG 67 -16.849 -6.241 -1.190
552 HG3 ARG 67 HG1 ARG 67 -17.603 -7.700 -1.834
553 HD2 ARG 67 HD2 ARG 67 -18.602 -4.884 -2.184
554 HD3 ARG 67 HD1 ARG 67 -17.765 -5.839 -3.407
555 HE ARG 67 HE ARG 67 -19.749 -7.423 -3.139
556 HH11 ARG 67 HH11 ARG 67 -19.966 -3.961 -2.672
557 HH12 ARG 67 HH12 ARG 67 -21.622 -3.857 -3.181
558 HH21 ARG 67 HH21 ARG 67 -21.921 -7.298 -3.825
559 HH22 ARG 67 HH22 ARG 67 -22.739 -5.760 -3.834
560 H TYR 68 HN TYR 68 -15.644 -7.383 -0.022
561 HA TYR 68 HA TYR 68 -15.887 -10.271 0.368
562 HB2 TYR 68 HB2 TYR 68 -15.494 -9.372 -1.906
563 HB3 TYR 68 HB1 TYR 68 -13.967 -8.693 -1.364
564 HD1 TYR 68 HD2 TYR 68 -15.718 -12.003 -1.372
565 HD2 TYR 68 HD1 TYR 68 -12.065 -9.881 -1.878
566 HE1 TYR 68 HE2 TYR 68 -14.584 -14.105 -1.963
567 HE2 TYR 68 HE1 TYR 68 -10.923 -11.975 -2.468
568 HH TYR 68 HH TYR 68 -11.217 -14.395 -2.075
569 H GLY 69 HN GLY 69 -14.306 -7.646 1.765
570 HA2 GLY 69 HA2 GLY 69 -11.862 -8.776 2.593
571 HA3 GLY 69 HA1 GLY 69 -12.767 -7.528 3.451
572 H ARG 70 HN ARG 70 -15.025 -8.721 4.065
573 HA ARG 70 HA ARG 70 -14.451 -10.360 6.284
574 HB2 ARG 70 HB2 ARG 70 -17.052 -9.794 4.856
575 HB3 ARG 70 HB1 ARG 70 -16.934 -10.635 6.396
576 HG2 ARG 70 HG2 ARG 70 -15.939 -7.838 5.912
577 HG3 ARG 70 HG1 ARG 70 -17.515 -8.240 6.603
578 HD2 ARG 70 HD2 ARG 70 -14.829 -9.003 7.745
579 HD3 ARG 70 HD1 ARG 70 -15.880 -7.721 8.350
580 HE ARG 70 HE ARG 70 -17.295 -10.170 8.282
581 HH11 ARG 70 HH11 ARG 70 -14.732 -8.568 10.083
582 HH12 ARG 70 HH12 ARG 70 -15.074 -9.427 11.558
583 HH21 ARG 70 HH21 ARG 70 -17.732 -11.280 10.217
584 HH22 ARG 70 HH22 ARG 70 -16.769 -10.972 11.630
585 H GLU 71 HN GLU 71 -15.385 -11.078 2.989
586 HA GLU 71 HA GLU 71 -16.003 -13.836 3.532
587 HB2 GLU 71 HB2 GLU 71 -15.628 -12.454 0.867
588 HB3 GLU 71 HB1 GLU 71 -16.379 -14.021 1.135
589 HG2 GLU 71 HG2 GLU 71 -18.156 -12.918 2.434
590 HG3 GLU 71 HG1 GLU 71 -17.419 -11.358 2.076
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -12.582 3.732 9.986
2 H2 MET 1 HT2 MET 1 -12.968 3.726 11.636
3 H3 MET 1 HT3 MET 1 -11.649 2.824 11.067
4 HA MET 1 HA MET 1 -11.863 5.776 10.979
5 HB2 MET 1 HB2 MET 1 -10.299 3.947 12.811
6 HB3 MET 1 HB1 MET 1 -10.018 5.677 12.678
7 HG2 MET 1 HG2 MET 1 -12.290 6.113 13.439
8 HG3 MET 1 HG1 MET 1 -12.583 4.379 13.565
9 HE1 MET 1 HE1 MET 1 -12.408 5.591 17.296
10 HE2 MET 1 HE2 MET 1 -13.393 4.789 16.074
11 HE3 MET 1 HE3 MET 1 -13.035 6.511 15.927
12 H ALA 2 HN ALA 2 -11.296 4.000 8.793
13 HA ALA 2 HA ALA 2 -9.838 3.675 7.103
14 HB1 ALA 2 HB1 ALA 2 -9.809 6.103 7.050
15 HB2 ALA 2 HB2 ALA 2 -8.227 5.440 6.631
16 HB3 ALA 2 HB3 ALA 2 -8.501 6.126 8.234
17 H SER 3 HN SER 3 -9.242 1.717 8.397
18 HA SER 3 HA SER 3 -6.734 1.610 9.729
19 HB2 SER 3 HB2 SER 3 -8.298 -0.597 8.364
20 HB3 SER 3 HB1 SER 3 -6.960 -0.835 9.491
21 HG SER 3 HG SER 3 -8.181 -0.028 11.135
22 H TYR 4 HN TYR 4 -7.309 2.422 6.666
23 HA TYR 4 HA TYR 4 -5.361 0.960 5.209
24 HB2 TYR 4 HB2 TYR 4 -6.592 3.682 4.698
25 HB3 TYR 4 HB1 TYR 4 -5.585 2.803 3.548
26 HD1 TYR 4 HD2 TYR 4 -6.383 0.619 2.636
27 HD2 TYR 4 HD1 TYR 4 -8.897 3.154 4.953
28 HE1 TYR 4 HE2 TYR 4 -8.354 -0.596 1.812
29 HE2 TYR 4 HE1 TYR 4 -10.874 1.942 4.139
30 HH TYR 4 HH TYR 4 -11.563 0.535 2.311
31 H TYR 5 HN TYR 5 -5.220 3.643 7.395
32 HA TYR 5 HA TYR 5 -2.754 4.760 6.720
33 HB2 TYR 5 HB2 TYR 5 -4.348 5.600 8.491
34 HB3 TYR 5 HB1 TYR 5 -3.782 4.301 9.536
35 HD1 TYR 5 HD2 TYR 5 -1.409 4.302 10.317
36 HD2 TYR 5 HD1 TYR 5 -3.085 7.593 8.210
37 HE1 TYR 5 HE2 TYR 5 0.434 5.729 11.092
38 HE2 TYR 5 HE1 TYR 5 -1.246 9.031 8.982
39 HH TYR 5 HH TYR 5 1.582 7.810 10.329
40 H GLU 6 HN GLU 6 -3.589 1.783 8.341
41 HA GLU 6 HA GLU 6 -0.989 1.157 9.303
42 HB2 GLU 6 HB2 GLU 6 -3.373 -0.625 8.798
43 HB3 GLU 6 HB1 GLU 6 -1.936 -1.082 9.703
44 HG2 GLU 6 HG2 GLU 6 -3.675 1.231 10.457
45 HG3 GLU 6 HG1 GLU 6 -3.932 -0.405 11.071
46 H ILE 7 HN ILE 7 -2.870 0.213 6.456
47 HA ILE 7 HA ILE 7 -0.946 -1.672 5.550
48 HB ILE 7 HB ILE 7 -2.284 -1.731 3.440
49 HG12 ILE 7 HG12 ILE 7 -4.668 -0.632 3.913
50 HG13 ILE 7 HG11 ILE 7 -3.682 0.528 4.793
51 HG21 ILE 7 HG21 ILE 7 -4.097 -2.924 4.411
52 HG22 ILE 7 HG22 ILE 7 -3.975 -2.004 5.910
53 HG23 ILE 7 HG23 ILE 7 -2.700 -3.145 5.467
54 HD11 ILE 7 HD11 ILE 7 -4.123 1.295 2.545
55 HD12 ILE 7 HD12 ILE 7 -3.421 -0.179 1.880
56 HD13 ILE 7 HD13 ILE 7 -2.402 0.966 2.752
57 H LEU 8 HN LEU 8 -1.633 1.690 4.728
58 HA LEU 8 HA LEU 8 0.665 1.659 2.909
59 HB2 LEU 8 HB2 LEU 8 -1.481 2.615 2.095
60 HB3 LEU 8 HB1 LEU 8 -1.379 3.840 3.345
61 HG LEU 8 HG LEU 8 0.699 4.695 2.318
62 HD11 LEU 8 HD11 LEU 8 1.464 2.617 1.288
63 HD12 LEU 8 HD12 LEU 8 1.357 3.921 0.104
64 HD13 LEU 8 HD13 LEU 8 0.110 2.676 0.159
65 HD21 LEU 8 HD21 LEU 8 -1.441 5.681 1.726
66 HD22 LEU 8 HD22 LEU 8 -1.655 4.484 0.449
67 HD23 LEU 8 HD23 LEU 8 -0.355 5.670 0.335
68 H ASP 9 HN ASP 9 -0.444 4.479 4.619
69 HA ASP 9 HA ASP 9 1.050 4.548 6.891
70 HB2 ASP 9 HB2 ASP 9 3.048 5.874 6.376
71 HB3 ASP 9 HB1 ASP 9 3.100 4.315 5.568
72 H VAL 10 HN VAL 10 -0.489 6.106 4.280
73 HA VAL 10 HA VAL 10 -1.177 8.332 6.082
74 HB VAL 10 HB VAL 10 -1.748 9.659 4.077
75 HG11 VAL 10 HG11 VAL 10 0.441 9.932 5.089
76 HG12 VAL 10 HG12 VAL 10 0.535 10.129 3.340
77 HG13 VAL 10 HG13 VAL 10 1.084 8.629 4.089
78 HG21 VAL 10 HG21 VAL 10 -2.230 7.850 2.525
79 HG22 VAL 10 HG22 VAL 10 -0.532 7.373 2.532
80 HG23 VAL 10 HG23 VAL 10 -1.008 8.932 1.861
81 HA PRO 11 HA PRO 11 -5.315 6.803 5.710
82 HB2 PRO 11 HB2 PRO 11 -6.666 8.852 6.769
83 HB3 PRO 11 HB1 PRO 11 -5.532 7.902 7.734
84 HG2 PRO 11 HG2 PRO 11 -5.216 10.616 6.563
85 HG3 PRO 11 HG1 PRO 11 -4.576 9.964 8.079
86 HD2 PRO 11 HD2 PRO 11 -3.188 10.225 5.642
87 HD3 PRO 11 HD1 PRO 11 -2.656 9.309 7.064
88 H ARG 12 HN ARG 12 -7.468 7.313 4.840
89 HA ARG 12 HA ARG 12 -7.209 8.052 2.107
90 HB2 ARG 12 HB2 ARG 12 -9.720 7.694 2.119
91 HB3 ARG 12 HB1 ARG 12 -8.716 6.307 2.513
92 HG2 ARG 12 HG2 ARG 12 -9.154 6.734 4.903
93 HG3 ARG 12 HG1 ARG 12 -10.218 8.064 4.442
94 HD2 ARG 12 HD2 ARG 12 -10.578 5.173 3.663
95 HD3 ARG 12 HD1 ARG 12 -11.468 6.011 4.933
96 HE ARG 12 HE ARG 12 -11.672 7.287 2.364
97 HH11 ARG 12 HH11 ARG 12 -12.999 4.796 4.446
98 HH12 ARG 12 HH12 ARG 12 -14.559 4.810 3.670
99 HH21 ARG 12 HH21 ARG 12 -13.699 7.278 1.318
100 HH22 ARG 12 HH22 ARG 12 -14.951 6.202 1.877
101 H SER 13 HN SER 13 -7.718 9.905 4.792
102 HA SER 13 HA SER 13 -9.392 11.954 3.980
103 HB2 SER 13 HB2 SER 13 -8.254 11.726 6.220
104 HB3 SER 13 HB1 SER 13 -6.779 12.327 5.465
105 HG SER 13 HG SER 13 -7.726 14.104 6.282
106 H ALA 14 HN ALA 14 -6.112 11.202 3.041
107 HA ALA 14 HA ALA 14 -5.677 13.613 1.547
108 HB1 ALA 14 HB1 ALA 14 -3.646 12.521 0.794
109 HB2 ALA 14 HB2 ALA 14 -4.210 10.977 1.428
110 HB3 ALA 14 HB3 ALA 14 -3.835 12.300 2.533
111 H SER 15 HN SER 15 -5.757 13.873 -0.685
112 HA SER 15 HA SER 15 -7.725 12.438 -2.111
113 HB2 SER 15 HB2 SER 15 -6.594 13.700 -4.105
114 HB3 SER 15 HB1 SER 15 -7.438 14.618 -2.858
115 HG SER 15 HG SER 15 -5.632 15.572 -2.432
116 H ALA 16 HN ALA 16 -7.397 11.229 -4.144
117 HA ALA 16 HA ALA 16 -6.077 8.882 -3.543
118 HB1 ALA 16 HB1 ALA 16 -6.563 8.156 -5.787
119 HB2 ALA 16 HB2 ALA 16 -6.821 9.822 -6.292
120 HB3 ALA 16 HB3 ALA 16 -7.924 9.075 -5.141
121 H ASP 17 HN ASP 17 -4.932 11.513 -5.631
122 HA ASP 17 HA ASP 17 -2.636 10.198 -6.595
123 HB2 ASP 17 HB2 ASP 17 -3.269 13.128 -6.286
124 HB3 ASP 17 HB1 ASP 17 -1.786 12.544 -7.026
125 H ASP 18 HN ASP 18 -3.222 12.045 -3.694
126 HA ASP 18 HA ASP 18 -0.562 12.353 -2.826
127 HB2 ASP 18 HB2 ASP 18 -2.780 13.376 -1.908
128 HB3 ASP 18 HB1 ASP 18 -2.847 11.918 -0.922
129 H ILE 19 HN ILE 19 -2.954 9.801 -2.309
130 HA ILE 19 HA ILE 19 -1.388 8.112 -0.693
131 HB ILE 19 HB ILE 19 -3.752 7.662 -2.468
132 HG12 ILE 19 HG12 ILE 19 -4.590 6.761 -0.191
133 HG13 ILE 19 HG11 ILE 19 -3.173 7.575 0.464
134 HG21 ILE 19 HG21 ILE 19 -2.370 5.665 -2.791
135 HG22 ILE 19 HG22 ILE 19 -3.852 5.313 -1.904
136 HG23 ILE 19 HG23 ILE 19 -2.318 5.431 -1.043
137 HD11 ILE 19 HD11 ILE 19 -5.596 8.723 -0.814
138 HD12 ILE 19 HD12 ILE 19 -4.069 9.593 -0.890
139 HD13 ILE 19 HD13 ILE 19 -4.776 9.193 0.680
140 H LYS 20 HN LYS 20 -1.683 8.416 -4.197
141 HA LYS 20 HA LYS 20 -0.125 6.231 -4.978
142 HB2 LYS 20 HB2 LYS 20 -0.253 8.936 -6.320
143 HB3 LYS 20 HB1 LYS 20 0.270 7.435 -7.067
144 HG2 LYS 20 HG2 LYS 20 -1.953 6.532 -6.916
145 HG3 LYS 20 HG1 LYS 20 -2.507 7.954 -6.024
146 HD2 LYS 20 HD2 LYS 20 -1.829 9.340 -7.997
147 HD3 LYS 20 HD1 LYS 20 -1.535 7.840 -8.875
148 HE2 LYS 20 HE2 LYS 20 -3.851 7.205 -8.653
149 HE3 LYS 20 HE1 LYS 20 -4.175 8.613 -7.639
150 HZ1 LYS 20 HZ1 LYS 20 -4.898 9.053 -9.872
151 HZ2 LYS 20 HZ2 LYS 20 -3.385 8.641 -10.504
152 HZ3 LYS 20 HZ3 LYS 20 -3.550 10.028 -9.541
153 H LYS 21 HN LYS 21 0.793 9.514 -4.042
154 HA LYS 21 HA LYS 21 3.541 9.206 -4.676
155 HB2 LYS 21 HB2 LYS 21 2.172 11.391 -4.265
156 HB3 LYS 21 HB1 LYS 21 2.593 11.128 -2.576
157 HG2 LYS 21 HG2 LYS 21 4.210 12.602 -3.512
158 HG3 LYS 21 HG1 LYS 21 4.989 11.036 -3.263
159 HD2 LYS 21 HD2 LYS 21 4.132 10.673 -5.759
160 HD3 LYS 21 HD1 LYS 21 4.272 12.431 -5.782
161 HE2 LYS 21 HE2 LYS 21 6.432 10.439 -5.129
162 HE3 LYS 21 HE1 LYS 21 6.316 11.428 -6.581
163 HZ1 LYS 21 HZ1 LYS 21 6.698 12.465 -3.821
164 HZ2 LYS 21 HZ2 LYS 21 6.631 13.401 -5.231
165 HZ3 LYS 21 HZ3 LYS 21 7.912 12.315 -4.993
166 H ALA 22 HN ALA 22 1.640 8.665 -1.750
167 HA ALA 22 HA ALA 22 3.808 8.168 -0.009
168 HB1 ALA 22 HB1 ALA 22 2.207 7.160 1.473
169 HB2 ALA 22 HB2 ALA 22 1.050 6.954 0.158
170 HB3 ALA 22 HB3 ALA 22 1.464 8.572 0.723
171 H TYR 23 HN TYR 23 1.999 6.140 -2.229
172 HA TYR 23 HA TYR 23 3.265 3.703 -1.604
173 HB2 TYR 23 HB2 TYR 23 1.436 3.257 -2.860
174 HB3 TYR 23 HB1 TYR 23 1.560 4.759 -3.773
175 HD1 TYR 23 HD2 TYR 23 2.925 1.307 -3.518
176 HD2 TYR 23 HD1 TYR 23 2.460 4.765 -5.952
177 HE1 TYR 23 HE2 TYR 23 3.754 0.047 -5.458
178 HE2 TYR 23 HE1 TYR 23 3.286 3.513 -7.898
179 HH TYR 23 HH TYR 23 3.639 0.125 -7.891
180 H ARG 24 HN ARG 24 4.048 6.263 -3.920
181 HA ARG 24 HA ARG 24 6.195 4.861 -5.136
182 HB2 ARG 24 HB2 ARG 24 5.475 7.796 -5.093
183 HB3 ARG 24 HB1 ARG 24 6.848 7.157 -5.989
184 HG2 ARG 24 HG2 ARG 24 5.430 5.866 -7.387
185 HG3 ARG 24 HG1 ARG 24 4.024 6.210 -6.377
186 HD2 ARG 24 HD2 ARG 24 3.911 7.598 -8.324
187 HD3 ARG 24 HD1 ARG 24 4.281 8.605 -6.923
188 HE ARG 24 HE ARG 24 6.571 8.725 -7.708
189 HH11 ARG 24 HH11 ARG 24 4.273 7.396 -9.987
190 HH12 ARG 24 HH12 ARG 24 5.171 7.907 -11.389
191 HH21 ARG 24 HH21 ARG 24 7.746 9.416 -9.542
192 HH22 ARG 24 HH22 ARG 24 7.138 9.064 -11.133
193 H ARG 25 HN ARG 25 6.062 7.167 -2.442
194 HA ARG 25 HA ARG 25 8.887 7.382 -2.193
195 HB2 ARG 25 HB2 ARG 25 8.459 8.408 -0.012
196 HB3 ARG 25 HB1 ARG 25 7.408 9.085 -1.246
197 HG2 ARG 25 HG2 ARG 25 5.586 7.627 -0.444
198 HG3 ARG 25 HG1 ARG 25 6.650 7.052 0.840
199 HD2 ARG 25 HD2 ARG 25 5.796 9.915 0.419
200 HD3 ARG 25 HD1 ARG 25 5.108 8.808 1.604
201 HE ARG 25 HE ARG 25 7.962 9.561 1.673
202 HH11 ARG 25 HH11 ARG 25 4.831 9.251 3.229
203 HH12 ARG 25 HH12 ARG 25 5.423 9.713 4.799
204 HH21 ARG 25 HH21 ARG 25 8.737 10.170 3.728
205 HH22 ARG 25 HH22 ARG 25 7.651 10.223 5.083
206 H LYS 26 HN LYS 26 6.473 5.240 -0.790
207 HA LYS 26 HA LYS 26 8.247 3.916 0.990
208 HB2 LYS 26 HB2 LYS 26 5.766 3.937 1.175
209 HB3 LYS 26 HB1 LYS 26 5.677 2.942 -0.270
210 HG2 LYS 26 HG2 LYS 26 7.029 1.232 0.940
211 HG3 LYS 26 HG1 LYS 26 6.815 2.199 2.405
212 HD2 LYS 26 HD2 LYS 26 4.631 1.031 0.698
213 HD3 LYS 26 HD1 LYS 26 5.147 0.416 2.270
214 HE2 LYS 26 HE2 LYS 26 3.847 3.074 1.680
215 HE3 LYS 26 HE1 LYS 26 3.127 1.709 2.526
216 HZ1 LYS 26 HZ1 LYS 26 3.775 3.222 4.166
217 HZ2 LYS 26 HZ2 LYS 26 5.284 3.505 3.457
218 HZ3 LYS 26 HZ3 LYS 26 4.970 2.015 4.211
219 H ALA 27 HN ALA 27 7.041 3.275 -2.263
220 HA ALA 27 HA ALA 27 8.321 0.871 -2.806
221 HB1 ALA 27 HB1 ALA 27 7.983 3.041 -4.859
222 HB2 ALA 27 HB2 ALA 27 6.610 2.143 -4.220
223 HB3 ALA 27 HB3 ALA 27 7.894 1.293 -5.083
224 H LEU 28 HN LEU 28 9.478 4.198 -3.289
225 HA LEU 28 HA LEU 28 11.975 3.562 -4.390
226 HB2 LEU 28 HB2 LEU 28 10.595 5.873 -3.682
227 HB3 LEU 28 HB1 LEU 28 12.055 5.922 -2.706
228 HG LEU 28 HG LEU 28 13.373 5.578 -4.816
229 HD11 LEU 28 HD11 LEU 28 10.864 6.342 -6.266
230 HD12 LEU 28 HD12 LEU 28 11.297 4.656 -6.001
231 HD13 LEU 28 HD13 LEU 28 12.378 5.709 -6.919
232 HD21 LEU 28 HD21 LEU 28 11.612 8.022 -4.668
233 HD22 LEU 28 HD22 LEU 28 13.115 7.895 -5.582
234 HD23 LEU 28 HD23 LEU 28 13.140 7.781 -3.822
235 H GLN 29 HN GLN 29 10.896 3.840 -1.061
236 HA GLN 29 HA GLN 29 13.434 3.747 0.176
237 HB2 GLN 29 HB2 GLN 29 11.428 4.516 1.346
238 HB3 GLN 29 HB1 GLN 29 10.729 2.907 1.239
239 HG2 GLN 29 HG2 GLN 29 11.587 3.257 3.448
240 HG3 GLN 29 HG1 GLN 29 12.569 2.046 2.627
241 HE21 GLN 29 HE21 GLN 29 14.683 2.547 2.037
242 HE22 GLN 29 HE22 GLN 29 15.521 3.913 2.707
243 H TRP 30 HN TRP 30 11.310 1.236 -1.044
244 HA TRP 30 HA TRP 30 13.092 -0.790 0.116
245 HB2 TRP 30 HB2 TRP 30 10.279 -1.049 -0.954
246 HB3 TRP 30 HB1 TRP 30 11.271 -2.414 -0.445
247 HD1 TRP 30 HD1 TRP 30 8.906 0.142 0.881
248 HE1 TRP 30 HE1 TRP 30 8.770 -0.029 3.446
249 HE3 TRP 30 HE3 TRP 30 12.904 -2.933 1.706
250 HZ2 TRP 30 HZ2 TRP 30 10.170 -1.295 5.541
251 HZ3 TRP 30 HZ3 TRP 30 13.440 -3.577 4.021
252 HH2 TRP 30 HH2 TRP 30 12.102 -2.773 5.897
253 H HIS 31 HN HIS 31 13.137 0.906 -2.530
254 HA HIS 31 HA HIS 31 13.617 -1.218 -4.439
255 HB2 HIS 31 HB2 HIS 31 13.890 1.774 -4.487
256 HB3 HIS 31 HB1 HIS 31 14.720 0.811 -5.706
257 HD1 HIS 31 HD1 HIS 31 12.207 2.825 -6.085
258 HD2 HIS 31 HD2 HIS 31 12.178 -1.327 -6.167
259 HE1 HIS 31 HE1 HIS 31 10.192 2.197 -7.443
260 HE2 HIS 31 HE2 HIS 31 10.350 -0.309 -7.691
261 HA PRO 32 HA PRO 32 17.438 -2.637 -3.259
262 HB2 PRO 32 HB2 PRO 32 18.906 -2.569 -5.621
263 HB3 PRO 32 HB1 PRO 32 17.765 -3.834 -5.155
264 HG2 PRO 32 HG2 PRO 32 17.349 -1.465 -6.930
265 HG3 PRO 32 HG1 PRO 32 16.767 -3.128 -7.123
266 HD2 PRO 32 HD2 PRO 32 15.127 -1.223 -6.271
267 HD3 PRO 32 HD1 PRO 32 15.068 -2.845 -5.552
268 H ASP 33 HN ASP 33 17.630 0.329 -5.096
269 HA ASP 33 HA ASP 33 20.281 1.037 -4.473
270 HB2 ASP 33 HB2 ASP 33 19.028 2.114 -6.266
271 HB3 ASP 33 HB1 ASP 33 17.886 2.772 -5.103
272 H LYS 34 HN LYS 34 17.295 1.324 -2.682
273 HA LYS 34 HA LYS 34 18.706 2.753 -0.519
274 HB2 LYS 34 HB2 LYS 34 15.947 2.909 -1.574
275 HB3 LYS 34 HB1 LYS 34 16.084 2.936 0.176
276 HG2 LYS 34 HG2 LYS 34 16.030 5.177 -0.916
277 HG3 LYS 34 HG1 LYS 34 17.424 4.895 0.127
278 HD2 LYS 34 HD2 LYS 34 18.808 4.431 -1.804
279 HD3 LYS 34 HD1 LYS 34 17.416 4.606 -2.874
280 HE2 LYS 34 HE2 LYS 34 17.232 6.928 -2.368
281 HE3 LYS 34 HE1 LYS 34 18.425 6.798 -1.075
282 HZ1 LYS 34 HZ1 LYS 34 19.123 6.117 -3.862
283 HZ2 LYS 34 HZ2 LYS 34 20.149 6.554 -2.578
284 HZ3 LYS 34 HZ3 LYS 34 19.168 7.725 -3.315
285 H ASN 35 HN ASN 35 18.154 -0.236 -1.357
286 HA ASN 35 HA ASN 35 17.107 -1.138 1.238
287 HB2 ASN 35 HB2 ASN 35 15.788 -1.917 -0.662
288 HB3 ASN 35 HB1 ASN 35 17.234 -2.573 -1.427
289 HD21 ASN 35 HD21 ASN 35 14.903 -2.952 1.105
290 HD22 ASN 35 HD22 ASN 35 15.296 -4.593 1.491
291 HA PRO 36 HA PRO 36 21.176 -2.738 2.083
292 HB2 PRO 36 HB2 PRO 36 20.618 -4.180 4.271
293 HB3 PRO 36 HB1 PRO 36 20.549 -2.413 4.288
294 HG2 PRO 36 HG2 PRO 36 18.316 -4.390 4.012
295 HG3 PRO 36 HG1 PRO 36 18.400 -2.940 5.033
296 HD2 PRO 36 HD2 PRO 36 17.125 -2.995 2.624
297 HD3 PRO 36 HD1 PRO 36 17.879 -1.533 3.290
298 H ASP 37 HN ASP 37 20.239 -5.492 3.614
299 HA ASP 37 HA ASP 37 21.123 -7.091 1.333
300 HB2 ASP 37 HB2 ASP 37 21.060 -7.609 4.293
301 HB3 ASP 37 HB1 ASP 37 21.404 -8.881 3.127
302 H ASN 38 HN ASN 38 18.242 -6.256 2.744
303 HA ASN 38 HA ASN 38 17.085 -8.938 2.437
304 HB2 ASN 38 HB2 ASN 38 15.978 -6.498 3.847
305 HB3 ASN 38 HB1 ASN 38 15.195 -8.075 3.767
306 HD21 ASN 38 HD21 ASN 38 16.033 -9.786 4.945
307 HD22 ASN 38 HD22 ASN 38 17.155 -9.543 6.242
308 H LYS 39 HN LYS 39 16.620 -9.109 0.307
309 HA LYS 39 HA LYS 39 15.090 -6.998 -1.000
310 HB2 LYS 39 HB2 LYS 39 16.235 -9.593 -2.050
311 HB3 LYS 39 HB1 LYS 39 15.327 -8.446 -3.026
312 HG2 LYS 39 HG2 LYS 39 17.962 -7.936 -1.659
313 HG3 LYS 39 HG1 LYS 39 17.693 -8.151 -3.390
314 HD2 LYS 39 HD2 LYS 39 16.317 -6.146 -3.444
315 HD3 LYS 39 HD1 LYS 39 16.521 -5.947 -1.703
316 HE2 LYS 39 HE2 LYS 39 18.715 -5.837 -3.771
317 HE3 LYS 39 HE1 LYS 39 17.997 -4.455 -2.944
318 HZ1 LYS 39 HZ1 LYS 39 20.022 -4.972 -1.868
319 HZ2 LYS 39 HZ2 LYS 39 19.630 -6.616 -1.738
320 HZ3 LYS 39 HZ3 LYS 39 18.775 -5.465 -0.832
321 H GLU 40 HN GLU 40 14.740 -10.087 0.445
322 HA GLU 40 HA GLU 40 12.328 -10.952 -0.690
323 HB2 GLU 40 HB2 GLU 40 13.970 -12.221 0.803
324 HB3 GLU 40 HB1 GLU 40 13.208 -11.415 2.162
325 HG2 GLU 40 HG2 GLU 40 11.598 -13.032 0.225
326 HG3 GLU 40 HG1 GLU 40 12.472 -13.796 1.549
327 H PHE 41 HN PHE 41 12.995 -8.967 2.172
328 HA PHE 41 HA PHE 41 10.262 -8.429 2.746
329 HB2 PHE 41 HB2 PHE 41 12.762 -6.952 3.584
330 HB3 PHE 41 HB1 PHE 41 11.149 -6.647 4.224
331 HD1 PHE 41 HD1 PHE 41 9.941 -8.958 4.991
332 HD2 PHE 41 HD2 PHE 41 14.126 -8.201 4.918
333 HE1 PHE 41 HE1 PHE 41 10.282 -10.698 6.692
334 HE2 PHE 41 HE2 PHE 41 14.473 -9.939 6.621
335 HZ PHE 41 HZ PHE 41 12.553 -11.191 7.510
336 H ALA 42 HN ALA 42 12.725 -6.802 0.815
337 HA ALA 42 HA ALA 42 11.382 -4.348 0.485
338 HB1 ALA 42 HB1 ALA 42 13.474 -5.743 -1.157
339 HB2 ALA 42 HB2 ALA 42 13.668 -4.371 -0.061
340 HB3 ALA 42 HB3 ALA 42 12.829 -4.163 -1.597
341 H GLU 43 HN GLU 43 11.437 -7.269 -1.558
342 HA GLU 43 HA GLU 43 9.600 -6.220 -3.452
343 HB2 GLU 43 HB2 GLU 43 9.449 -8.461 -4.344
344 HB3 GLU 43 HB1 GLU 43 11.126 -8.077 -3.992
345 HG2 GLU 43 HG2 GLU 43 11.055 -9.415 -1.990
346 HG3 GLU 43 HG1 GLU 43 9.333 -9.724 -2.228
347 H LYS 44 HN LYS 44 9.282 -8.088 -0.501
348 HA LYS 44 HA LYS 44 6.576 -8.751 -0.617
349 HB2 LYS 44 HB2 LYS 44 8.675 -8.819 1.268
350 HB3 LYS 44 HB1 LYS 44 7.358 -7.950 2.038
351 HG2 LYS 44 HG2 LYS 44 5.863 -9.827 1.612
352 HG3 LYS 44 HG1 LYS 44 7.191 -10.700 0.834
353 HD2 LYS 44 HD2 LYS 44 8.467 -10.607 2.910
354 HD3 LYS 44 HD1 LYS 44 7.151 -9.731 3.691
355 HE2 LYS 44 HE2 LYS 44 7.017 -12.036 4.330
356 HE3 LYS 44 HE1 LYS 44 5.670 -11.672 3.253
357 HZ1 LYS 44 HZ1 LYS 44 8.204 -12.908 2.330
358 HZ2 LYS 44 HZ2 LYS 44 6.745 -12.776 1.470
359 HZ3 LYS 44 HZ3 LYS 44 6.850 -13.809 2.813
360 H LYS 45 HN LYS 45 8.164 -5.848 0.696
361 HA LYS 45 HA LYS 45 5.696 -4.638 1.447
362 HB2 LYS 45 HB2 LYS 45 8.488 -3.521 1.207
363 HB3 LYS 45 HB1 LYS 45 7.109 -2.577 1.764
364 HG2 LYS 45 HG2 LYS 45 8.363 -4.971 3.067
365 HG3 LYS 45 HG1 LYS 45 8.185 -3.337 3.711
366 HD2 LYS 45 HD2 LYS 45 5.767 -3.626 3.767
367 HD3 LYS 45 HD1 LYS 45 5.947 -5.241 3.097
368 HE2 LYS 45 HE2 LYS 45 7.329 -5.812 5.100
369 HE3 LYS 45 HE1 LYS 45 6.859 -4.259 5.785
370 HZ1 LYS 45 HZ1 LYS 45 4.559 -4.926 5.702
371 HZ2 LYS 45 HZ2 LYS 45 5.445 -6.099 6.544
372 HZ3 LYS 45 HZ3 LYS 45 4.962 -6.387 4.942
373 H PHE 46 HN PHE 46 7.805 -4.416 -1.359
374 HA PHE 46 HA PHE 46 6.475 -2.331 -2.697
375 HB2 PHE 46 HB2 PHE 46 8.645 -3.251 -3.442
376 HB3 PHE 46 HB1 PHE 46 7.851 -4.760 -3.885
377 HD1 PHE 46 HD1 PHE 46 8.020 -1.150 -4.666
378 HD2 PHE 46 HD2 PHE 46 6.834 -5.021 -5.972
379 HE1 PHE 46 HE1 PHE 46 7.577 -0.251 -6.912
380 HE2 PHE 46 HE2 PHE 46 6.388 -4.133 -8.222
381 HZ PHE 46 HZ PHE 46 6.761 -1.743 -8.693
382 H LYS 47 HN LYS 47 5.877 -5.805 -2.552
383 HA LYS 47 HA LYS 47 3.689 -5.842 -4.352
384 HB2 LYS 47 HB2 LYS 47 4.796 -7.896 -3.866
385 HB3 LYS 47 HB1 LYS 47 4.564 -7.694 -2.135
386 HG2 LYS 47 HG2 LYS 47 2.160 -8.012 -2.414
387 HG3 LYS 47 HG1 LYS 47 2.388 -8.202 -4.154
388 HD2 LYS 47 HD2 LYS 47 3.665 -10.196 -3.841
389 HD3 LYS 47 HD1 LYS 47 3.710 -9.956 -2.094
390 HE2 LYS 47 HE2 LYS 47 2.082 -11.669 -2.749
391 HE3 LYS 47 HE1 LYS 47 1.316 -10.294 -1.956
392 HZ1 LYS 47 HZ1 LYS 47 0.599 -9.462 -4.069
393 HZ2 LYS 47 HZ2 LYS 47 0.111 -11.079 -3.937
394 HZ3 LYS 47 HZ3 LYS 47 1.445 -10.671 -4.899
395 H GLU 48 HN GLU 48 3.913 -5.586 -0.823
396 HA GLU 48 HA GLU 48 1.140 -5.616 -0.348
397 HB2 GLU 48 HB2 GLU 48 3.434 -4.579 1.304
398 HB3 GLU 48 HB1 GLU 48 1.768 -4.556 1.867
399 HG2 GLU 48 HG2 GLU 48 1.694 -7.021 1.516
400 HG3 GLU 48 HG1 GLU 48 3.420 -6.969 1.166
401 H VAL 49 HN VAL 49 3.402 -2.892 -0.807
402 HA VAL 49 HA VAL 49 1.434 -0.925 -0.267
403 HB VAL 49 HB VAL 49 3.815 -0.381 -0.119
404 HG11 VAL 49 HG11 VAL 49 3.870 -0.476 -3.130
405 HG12 VAL 49 HG12 VAL 49 4.561 -1.711 -2.080
406 HG13 VAL 49 HG13 VAL 49 5.207 -0.068 -2.054
407 HG21 VAL 49 HG21 VAL 49 3.715 1.806 -1.062
408 HG22 VAL 49 HG22 VAL 49 2.090 1.374 -0.532
409 HG23 VAL 49 HG23 VAL 49 2.508 1.302 -2.240
410 H ALA 50 HN ALA 50 2.461 -2.543 -3.233
411 HA ALA 50 HA ALA 50 1.145 -0.858 -5.053
412 HB1 ALA 50 HB1 ALA 50 1.608 -3.818 -5.368
413 HB2 ALA 50 HB2 ALA 50 2.829 -2.579 -5.650
414 HB3 ALA 50 HB3 ALA 50 1.379 -2.633 -6.651
415 H GLU 51 HN GLU 51 0.026 -3.822 -3.431
416 HA GLU 51 HA GLU 51 -2.562 -3.726 -4.637
417 HB2 GLU 51 HB2 GLU 51 -3.164 -5.454 -2.989
418 HB3 GLU 51 HB1 GLU 51 -1.666 -5.834 -3.823
419 HG2 GLU 51 HG2 GLU 51 -0.402 -5.021 -1.875
420 HG3 GLU 51 HG1 GLU 51 -1.920 -4.705 -1.041
421 H ALA 52 HN ALA 52 -1.149 -2.501 -1.698
422 HA ALA 52 HA ALA 52 -3.627 -1.937 -0.400
423 HB1 ALA 52 HB1 ALA 52 -1.473 -2.492 0.734
424 HB2 ALA 52 HB2 ALA 52 -2.317 -1.081 1.380
425 HB3 ALA 52 HB3 ALA 52 -0.914 -0.865 0.329
426 H TYR 53 HN TYR 53 -1.270 0.016 -2.206
427 HA TYR 53 HA TYR 53 -2.642 2.467 -1.703
428 HB2 TYR 53 HB2 TYR 53 -0.909 3.431 -2.785
429 HB3 TYR 53 HB1 TYR 53 -0.190 1.827 -2.813
430 HD1 TYR 53 HD1 TYR 53 -0.211 0.497 -4.873
431 HD2 TYR 53 HD2 TYR 53 -1.836 4.429 -4.785
432 HE1 TYR 53 HE1 TYR 53 -0.226 0.543 -7.327
433 HE2 TYR 53 HE2 TYR 53 -1.854 4.483 -7.244
434 HH TYR 53 HH TYR 53 -1.540 1.752 -9.129
435 H GLU 54 HN GLU 54 -2.792 -0.041 -4.154
436 HA GLU 54 HA GLU 54 -4.466 1.313 -5.972
437 HB2 GLU 54 HB2 GLU 54 -3.125 -0.803 -6.369
438 HB3 GLU 54 HB1 GLU 54 -4.391 -1.668 -5.512
439 HG2 GLU 54 HG2 GLU 54 -4.683 -1.842 -7.905
440 HG3 GLU 54 HG1 GLU 54 -6.021 -0.955 -7.174
441 H VAL 55 HN VAL 55 -5.210 -0.929 -3.302
442 HA VAL 55 HA VAL 55 -7.997 -0.903 -3.711
443 HB VAL 55 HB VAL 55 -6.922 -2.669 -2.409
444 HG11 VAL 55 HG11 VAL 55 -5.257 -1.362 -1.228
445 HG12 VAL 55 HG12 VAL 55 -6.243 -2.299 -0.111
446 HG13 VAL 55 HG13 VAL 55 -6.527 -0.572 -0.291
447 HG21 VAL 55 HG21 VAL 55 -8.554 -2.817 -0.587
448 HG22 VAL 55 HG22 VAL 55 -9.297 -2.310 -2.105
449 HG23 VAL 55 HG23 VAL 55 -8.977 -1.124 -0.841
450 H LEU 56 HN LEU 56 -5.886 1.136 -1.763
451 HA LEU 56 HA LEU 56 -8.044 2.510 -0.505
452 HB2 LEU 56 HB2 LEU 56 -5.894 2.354 0.588
453 HB3 LEU 56 HB1 LEU 56 -5.116 3.188 -0.743
454 HG LEU 56 HG LEU 56 -6.284 5.251 -0.166
455 HD11 LEU 56 HD11 LEU 56 -7.497 3.655 2.083
456 HD12 LEU 56 HD12 LEU 56 -8.357 4.311 0.690
457 HD13 LEU 56 HD13 LEU 56 -7.634 5.401 1.873
458 HD21 LEU 56 HD21 LEU 56 -4.147 4.837 0.880
459 HD22 LEU 56 HD22 LEU 56 -4.937 3.945 2.175
460 HD23 LEU 56 HD23 LEU 56 -5.220 5.674 2.004
461 H SER 57 HN SER 57 -6.296 2.957 -3.473
462 HA SER 57 HA SER 57 -7.187 5.689 -3.785
463 HB2 SER 57 HB2 SER 57 -4.975 4.948 -4.632
464 HB3 SER 57 HB1 SER 57 -5.790 3.883 -5.775
465 HG SER 57 HG SER 57 -6.907 6.011 -6.367
466 H ASP 58 HN ASP 58 -8.440 2.588 -4.471
467 HA ASP 58 HA ASP 58 -10.213 3.703 -6.551
468 HB2 ASP 58 HB2 ASP 58 -8.782 1.898 -7.390
469 HB3 ASP 58 HB1 ASP 58 -9.403 0.822 -6.139
470 H LYS 59 HN LYS 59 -12.313 3.715 -6.265
471 HA LYS 59 HA LYS 59 -13.367 3.345 -3.667
472 HB2 LYS 59 HB2 LYS 59 -14.986 3.640 -6.200
473 HB3 LYS 59 HB1 LYS 59 -15.478 4.044 -4.566
474 HG2 LYS 59 HG2 LYS 59 -15.056 6.097 -5.562
475 HG3 LYS 59 HG1 LYS 59 -13.597 5.775 -4.621
476 HD2 LYS 59 HD2 LYS 59 -12.361 5.201 -6.532
477 HD3 LYS 59 HD1 LYS 59 -13.809 5.023 -7.524
478 HE2 LYS 59 HE2 LYS 59 -12.790 7.613 -6.356
479 HE3 LYS 59 HE1 LYS 59 -12.546 7.089 -8.021
480 HZ1 LYS 59 HZ1 LYS 59 -14.943 7.117 -8.341
481 HZ2 LYS 59 HZ2 LYS 59 -14.387 8.636 -7.836
482 HZ3 LYS 59 HZ3 LYS 59 -15.179 7.619 -6.738
483 H HIS 60 HN HIS 60 -13.477 1.429 -6.611
484 HA HIS 60 HA HIS 60 -15.470 -0.401 -5.701
485 HB2 HIS 60 HB2 HIS 60 -13.380 -0.740 -7.866
486 HB3 HIS 60 HB1 HIS 60 -14.719 -1.845 -7.575
487 HD1 HIS 60 HD1 HIS 60 -13.912 0.419 -9.984
488 HD2 HIS 60 HD2 HIS 60 -17.224 0.129 -7.478
489 HE1 HIS 60 HE1 HIS 60 -15.750 1.710 -11.121
490 HE2 HIS 60 HE2 HIS 60 -17.767 1.441 -9.637
491 H LYS 61 HN LYS 61 -11.937 -0.429 -5.758
492 HA LYS 61 HA LYS 61 -11.583 -2.963 -4.618
493 HB2 LYS 61 HB2 LYS 61 -9.872 -0.501 -4.364
494 HB3 LYS 61 HB1 LYS 61 -9.368 -2.113 -3.896
495 HG2 LYS 61 HG2 LYS 61 -10.156 -1.332 -6.694
496 HG3 LYS 61 HG1 LYS 61 -8.499 -1.346 -6.096
497 HD2 LYS 61 HD2 LYS 61 -8.686 -3.404 -7.165
498 HD3 LYS 61 HD1 LYS 61 -8.990 -3.813 -5.478
499 HE2 LYS 61 HE2 LYS 61 -11.381 -3.818 -5.881
500 HE3 LYS 61 HE1 LYS 61 -11.123 -3.307 -7.550
501 HZ1 LYS 61 HZ1 LYS 61 -9.959 -5.391 -7.963
502 HZ2 LYS 61 HZ2 LYS 61 -11.536 -5.678 -7.410
503 HZ3 LYS 61 HZ3 LYS 61 -10.219 -5.882 -6.359
504 H ARG 62 HN ARG 62 -12.186 0.186 -3.130
505 HA ARG 62 HA ARG 62 -11.689 -0.525 -0.459
506 HB2 ARG 62 HB2 ARG 62 -13.651 1.489 -1.557
507 HB3 ARG 62 HB1 ARG 62 -13.183 1.370 0.130
508 HG2 ARG 62 HG2 ARG 62 -10.897 1.945 -0.443
509 HG3 ARG 62 HG1 ARG 62 -11.333 2.016 -2.155
510 HD2 ARG 62 HD2 ARG 62 -13.016 3.765 -1.567
511 HD3 ARG 62 HD1 ARG 62 -12.361 3.770 0.069
512 HE ARG 62 HE ARG 62 -10.162 4.267 -1.323
513 HH11 ARG 62 HH11 ARG 62 -13.393 5.570 -1.721
514 HH12 ARG 62 HH12 ARG 62 -12.827 7.108 -2.322
515 HH21 ARG 62 HH21 ARG 62 -9.428 6.277 -2.119
516 HH22 ARG 62 HH22 ARG 62 -10.582 7.503 -2.550
517 H GLU 63 HN GLU 63 -14.718 -0.591 -2.331
518 HA GLU 63 HA GLU 63 -16.259 -1.528 -0.126
519 HB2 GLU 63 HB2 GLU 63 -18.020 -1.958 -1.854
520 HB3 GLU 63 HB1 GLU 63 -17.405 -0.313 -1.830
521 HG2 GLU 63 HG2 GLU 63 -15.982 -0.828 -3.754
522 HG3 GLU 63 HG1 GLU 63 -16.633 -2.466 -3.785
523 H ILE 64 HN ILE 64 -14.603 -3.082 -2.813
524 HA ILE 64 HA ILE 64 -15.562 -5.691 -2.307
525 HB ILE 64 HB ILE 64 -13.326 -4.541 -3.882
526 HG12 ILE 64 HG12 ILE 64 -14.263 -6.026 -5.621
527 HG13 ILE 64 HG11 ILE 64 -15.373 -6.704 -4.438
528 HG21 ILE 64 HG21 ILE 64 -13.327 -7.453 -3.092
529 HG22 ILE 64 HG22 ILE 64 -12.120 -6.251 -2.637
530 HG23 ILE 64 HG23 ILE 64 -12.301 -6.721 -4.327
531 HD11 ILE 64 HD11 ILE 64 -16.431 -4.511 -4.192
532 HD12 ILE 64 HD12 ILE 64 -16.492 -5.096 -5.855
533 HD13 ILE 64 HD13 ILE 64 -15.326 -3.853 -5.400
534 H TYR 65 HN TYR 65 -12.806 -3.857 -1.067
535 HA TYR 65 HA TYR 65 -11.623 -5.894 0.450
536 HB2 TYR 65 HB2 TYR 65 -10.494 -3.783 0.048
537 HB3 TYR 65 HB1 TYR 65 -11.728 -2.913 0.949
538 HD1 TYR 65 HD2 TYR 65 -9.080 -5.512 1.341
539 HD2 TYR 65 HD1 TYR 65 -11.472 -2.542 3.234
540 HE1 TYR 65 HE2 TYR 65 -7.770 -5.776 3.407
541 HE2 TYR 65 HE1 TYR 65 -10.166 -2.798 5.298
542 HH TYR 65 HH TYR 65 -7.224 -4.458 5.428
543 H ASP 66 HN ASP 66 -14.297 -3.711 1.164
544 HA ASP 66 HA ASP 66 -14.569 -4.500 3.894
545 HB2 ASP 66 HB2 ASP 66 -15.405 -2.350 3.055
546 HB3 ASP 66 HB1 ASP 66 -16.559 -3.187 2.029
547 H ARG 67 HN ARG 67 -16.287 -5.383 0.904
548 HA ARG 67 HA ARG 67 -18.139 -7.058 2.309
549 HB2 ARG 67 HB2 ARG 67 -19.092 -7.551 0.152
550 HB3 ARG 67 HB1 ARG 67 -18.739 -5.833 0.248
551 HG2 ARG 67 HG2 ARG 67 -16.481 -6.624 -0.898
552 HG3 ARG 67 HG1 ARG 67 -17.528 -7.931 -1.451
553 HD2 ARG 67 HD2 ARG 67 -18.072 -4.987 -1.800
554 HD3 ARG 67 HD1 ARG 67 -17.427 -6.055 -3.045
555 HE ARG 67 HE ARG 67 -19.807 -7.192 -2.194
556 HH11 ARG 67 HH11 ARG 67 -18.790 -4.184 -3.683
557 HH12 ARG 67 HH12 ARG 67 -20.264 -3.969 -4.562
558 HH21 ARG 67 HH21 ARG 67 -21.749 -6.916 -3.351
559 HH22 ARG 67 HH22 ARG 67 -21.953 -5.524 -4.383
560 H TYR 68 HN TYR 68 -15.125 -7.617 0.619
561 HA TYR 68 HA TYR 68 -15.527 -10.514 0.732
562 HB2 TYR 68 HB2 TYR 68 -14.602 -9.413 -1.324
563 HB3 TYR 68 HB1 TYR 68 -13.189 -8.948 -0.388
564 HD1 TYR 68 HD2 TYR 68 -15.141 -11.973 -1.371
565 HD2 TYR 68 HD1 TYR 68 -11.339 -10.337 -0.385
566 HE1 TYR 68 HE2 TYR 68 -14.077 -14.111 -1.946
567 HE2 TYR 68 HE1 TYR 68 -10.265 -12.473 -0.960
568 HH TYR 68 HH TYR 68 -10.871 -14.859 -1.127
569 H GLY 69 HN GLY 69 -14.291 -8.045 2.600
570 HA2 GLY 69 HA2 GLY 69 -12.073 -9.411 3.800
571 HA3 GLY 69 HA1 GLY 69 -12.843 -7.936 4.373
572 H ARG 70 HN ARG 70 -15.349 -8.651 4.798
573 HA ARG 70 HA ARG 70 -15.278 -9.913 7.303
574 HB2 ARG 70 HB2 ARG 70 -17.627 -9.403 5.477
575 HB3 ARG 70 HB1 ARG 70 -17.759 -9.894 7.159
576 HG2 ARG 70 HG2 ARG 70 -16.527 -7.344 6.147
577 HG3 ARG 70 HG1 ARG 70 -18.108 -7.510 6.911
578 HD2 ARG 70 HD2 ARG 70 -16.935 -8.414 8.930
579 HD3 ARG 70 HD1 ARG 70 -15.410 -7.992 8.156
580 HE ARG 70 HE ARG 70 -17.399 -5.880 8.494
581 HH11 ARG 70 HH11 ARG 70 -14.376 -7.345 9.506
582 HH12 ARG 70 HH12 ARG 70 -13.859 -5.949 10.411
583 HH21 ARG 70 HH21 ARG 70 -16.730 -4.060 9.695
584 HH22 ARG 70 HH22 ARG 70 -15.209 -4.085 10.523
585 H GLU 71 HN GLU 71 -15.689 -11.213 4.120
586 HA GLU 71 HA GLU 71 -17.055 -13.594 4.851
587 HB2 GLU 71 HB2 GLU 71 -15.426 -12.930 2.396
588 HB3 GLU 71 HB1 GLU 71 -16.430 -14.363 2.577
589 HG2 GLU 71 HG2 GLU 71 -17.388 -11.510 2.610
590 HG3 GLU 71 HG1 GLU 71 -17.570 -12.658 1.284
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -7.154 8.763 11.218
2 H2 MET 1 HT2 MET 1 -7.622 9.230 12.779
3 H3 MET 1 HT3 MET 1 -8.788 9.024 11.568
4 HA MET 1 HA MET 1 -7.065 6.879 12.649
5 HB2 MET 1 HB2 MET 1 -9.095 6.046 13.757
6 HB3 MET 1 HB1 MET 1 -8.650 7.640 14.343
7 HG2 MET 1 HG2 MET 1 -10.366 8.630 12.882
8 HG3 MET 1 HG1 MET 1 -10.838 7.008 12.377
9 HE1 MET 1 HE1 MET 1 -11.322 8.661 16.659
10 HE2 MET 1 HE2 MET 1 -10.700 9.594 15.299
11 HE3 MET 1 HE3 MET 1 -9.750 8.263 15.963
12 H ALA 2 HN ALA 2 -6.915 5.192 11.327
13 HA ALA 2 HA ALA 2 -9.053 4.335 9.637
14 HB1 ALA 2 HB1 ALA 2 -8.323 6.276 8.336
15 HB2 ALA 2 HB2 ALA 2 -8.001 4.769 7.477
16 HB3 ALA 2 HB3 ALA 2 -6.684 5.627 8.282
17 H SER 3 HN SER 3 -8.823 2.270 9.113
18 HA SER 3 HA SER 3 -6.546 0.757 9.897
19 HB2 SER 3 HB2 SER 3 -7.791 -1.066 8.569
20 HB3 SER 3 HB1 SER 3 -8.622 -0.373 9.963
21 HG SER 3 HG SER 3 -9.964 0.719 8.655
22 H TYR 4 HN TYR 4 -7.617 2.250 6.943
23 HA TYR 4 HA TYR 4 -5.796 1.003 5.164
24 HB2 TYR 4 HB2 TYR 4 -6.958 3.795 4.950
25 HB3 TYR 4 HB1 TYR 4 -6.327 2.809 3.635
26 HD1 TYR 4 HD1 TYR 4 -7.599 0.801 2.885
27 HD2 TYR 4 HD2 TYR 4 -9.189 3.534 5.731
28 HE1 TYR 4 HE1 TYR 4 -9.854 -0.094 2.476
29 HE2 TYR 4 HE2 TYR 4 -11.446 2.645 5.334
30 HH TYR 4 HH TYR 4 -12.032 -0.233 3.654
31 H TYR 5 HN TYR 5 -5.552 3.581 7.461
32 HA TYR 5 HA TYR 5 -3.118 4.731 6.580
33 HB2 TYR 5 HB2 TYR 5 -4.696 5.818 8.170
34 HB3 TYR 5 HB1 TYR 5 -4.282 4.606 9.376
35 HD1 TYR 5 HD1 TYR 5 -3.114 7.575 7.568
36 HD2 TYR 5 HD2 TYR 5 -2.188 4.719 10.578
37 HE1 TYR 5 HE1 TYR 5 -1.294 9.019 8.369
38 HE2 TYR 5 HE2 TYR 5 -0.361 6.151 11.384
39 HH TYR 5 HH TYR 5 1.064 7.927 10.625
40 H GLU 6 HN GLU 6 -3.980 1.993 8.558
41 HA GLU 6 HA GLU 6 -1.366 1.458 9.544
42 HB2 GLU 6 HB2 GLU 6 -3.818 -0.290 9.347
43 HB3 GLU 6 HB1 GLU 6 -2.336 -0.745 10.180
44 HG2 GLU 6 HG2 GLU 6 -3.970 1.674 10.848
45 HG3 GLU 6 HG1 GLU 6 -4.127 0.118 11.667
46 H ILE 7 HN ILE 7 -3.318 0.214 6.849
47 HA ILE 7 HA ILE 7 -1.445 -1.800 6.143
48 HB ILE 7 HB ILE 7 -2.760 -2.108 4.090
49 HG12 ILE 7 HG12 ILE 7 -5.035 -0.655 4.279
50 HG13 ILE 7 HG11 ILE 7 -3.864 0.527 4.849
51 HG21 ILE 7 HG21 ILE 7 -4.783 -2.854 5.137
52 HG22 ILE 7 HG22 ILE 7 -4.531 -1.752 6.491
53 HG23 ILE 7 HG23 ILE 7 -3.433 -3.114 6.246
54 HD11 ILE 7 HD11 ILE 7 -4.196 0.828 2.504
55 HD12 ILE 7 HD12 ILE 7 -3.877 -0.876 2.186
56 HD13 ILE 7 HD13 ILE 7 -2.579 0.174 2.755
57 H LEU 8 HN LEU 8 -2.034 1.481 4.924
58 HA LEU 8 HA LEU 8 0.365 1.200 3.263
59 HB2 LEU 8 HB2 LEU 8 -1.779 2.047 2.248
60 HB3 LEU 8 HB1 LEU 8 -1.610 3.475 3.246
61 HG LEU 8 HG LEU 8 0.467 4.064 2.110
62 HD11 LEU 8 HD11 LEU 8 -0.023 1.583 0.464
63 HD12 LEU 8 HD12 LEU 8 1.280 1.812 1.630
64 HD13 LEU 8 HD13 LEU 8 1.226 2.790 0.164
65 HD21 LEU 8 HD21 LEU 8 -1.664 4.842 1.183
66 HD22 LEU 8 HD22 LEU 8 -1.743 3.399 0.172
67 HD23 LEU 8 HD23 LEU 8 -0.457 4.580 -0.077
68 H ASP 9 HN ASP 9 -0.751 4.268 4.393
69 HA ASP 9 HA ASP 9 0.450 4.565 6.832
70 HB2 ASP 9 HB2 ASP 9 2.509 5.814 6.411
71 HB3 ASP 9 HB1 ASP 9 2.626 4.178 5.784
72 H VAL 10 HN VAL 10 -1.350 5.616 4.365
73 HA VAL 10 HA VAL 10 -1.525 8.334 5.484
74 HB VAL 10 HB VAL 10 -2.537 9.023 3.301
75 HG11 VAL 10 HG11 VAL 10 -0.424 9.220 2.113
76 HG12 VAL 10 HG12 VAL 10 0.279 7.958 3.124
77 HG13 VAL 10 HG13 VAL 10 -0.196 9.499 3.840
78 HG21 VAL 10 HG21 VAL 10 -1.556 6.318 2.396
79 HG22 VAL 10 HG22 VAL 10 -2.127 7.602 1.331
80 HG23 VAL 10 HG23 VAL 10 -3.234 6.852 2.481
81 HA PRO 11 HA PRO 11 -5.696 7.498 6.667
82 HB2 PRO 11 HB2 PRO 11 -6.864 9.921 6.273
83 HB3 PRO 11 HB1 PRO 11 -5.755 9.590 7.611
84 HG2 PRO 11 HG2 PRO 11 -5.211 10.915 4.980
85 HG3 PRO 11 HG1 PRO 11 -4.673 11.389 6.603
86 HD2 PRO 11 HD2 PRO 11 -3.058 10.083 4.887
87 HD3 PRO 11 HD1 PRO 11 -2.985 9.811 6.641
88 H ARG 12 HN ARG 12 -7.906 7.434 5.930
89 HA ARG 12 HA ARG 12 -8.047 6.469 3.275
90 HB2 ARG 12 HB2 ARG 12 -10.523 6.275 3.804
91 HB3 ARG 12 HB1 ARG 12 -9.415 5.351 4.803
92 HG2 ARG 12 HG2 ARG 12 -10.968 6.223 6.305
93 HG3 ARG 12 HG1 ARG 12 -9.583 7.305 6.455
94 HD2 ARG 12 HD2 ARG 12 -11.681 8.550 6.385
95 HD3 ARG 12 HD1 ARG 12 -10.671 8.920 4.989
96 HE ARG 12 HE ARG 12 -12.649 6.839 4.570
97 HH11 ARG 12 HH11 ARG 12 -11.919 10.263 4.354
98 HH12 ARG 12 HH12 ARG 12 -13.150 10.578 3.162
99 HH21 ARG 12 HH21 ARG 12 -14.286 7.270 3.034
100 HH22 ARG 12 HH22 ARG 12 -14.498 8.881 2.427
101 H SER 13 HN SER 13 -8.615 9.556 4.614
102 HA SER 13 HA SER 13 -10.403 10.508 2.594
103 HB2 SER 13 HB2 SER 13 -8.703 12.077 4.544
104 HB3 SER 13 HB1 SER 13 -10.086 12.690 3.637
105 HG SER 13 HG SER 13 -10.990 12.144 5.517
106 H ALA 14 HN ALA 14 -7.219 9.700 2.460
107 HA ALA 14 HA ALA 14 -6.182 11.840 0.901
108 HB1 ALA 14 HB1 ALA 14 -4.751 10.379 2.224
109 HB2 ALA 14 HB2 ALA 14 -4.322 10.296 0.521
110 HB3 ALA 14 HB3 ALA 14 -5.247 8.994 1.254
111 H SER 15 HN SER 15 -5.945 11.954 -1.308
112 HA SER 15 HA SER 15 -7.848 10.404 -2.861
113 HB2 SER 15 HB2 SER 15 -7.673 12.871 -3.137
114 HB3 SER 15 HB1 SER 15 -6.023 12.663 -3.720
115 HG SER 15 HG SER 15 -6.910 12.435 -5.600
116 H ALA 16 HN ALA 16 -7.005 9.830 -5.147
117 HA ALA 16 HA ALA 16 -5.403 7.599 -4.871
118 HB1 ALA 16 HB1 ALA 16 -6.910 7.966 -6.759
119 HB2 ALA 16 HB2 ALA 16 -5.291 7.515 -7.297
120 HB3 ALA 16 HB3 ALA 16 -5.815 9.196 -7.391
121 H ASP 17 HN ASP 17 -4.429 10.862 -5.832
122 HA ASP 17 HA ASP 17 -1.746 10.259 -6.464
123 HB2 ASP 17 HB2 ASP 17 -3.131 12.803 -5.643
124 HB3 ASP 17 HB1 ASP 17 -1.398 12.754 -5.943
125 H ASP 18 HN ASP 18 -3.307 11.237 -3.454
126 HA ASP 18 HA ASP 18 -0.982 11.582 -1.908
127 HB2 ASP 18 HB2 ASP 18 -3.696 10.632 -0.962
128 HB3 ASP 18 HB1 ASP 18 -2.439 11.354 0.032
129 H ILE 19 HN ILE 19 -3.067 8.759 -2.425
130 HA ILE 19 HA ILE 19 -1.605 6.963 -0.819
131 HB ILE 19 HB ILE 19 -3.557 6.609 -3.060
132 HG12 ILE 19 HG12 ILE 19 -4.632 5.232 -1.135
133 HG13 ILE 19 HG11 ILE 19 -3.485 6.097 -0.116
134 HG21 ILE 19 HG21 ILE 19 -1.914 4.842 -3.413
135 HG22 ILE 19 HG22 ILE 19 -3.450 4.194 -2.841
136 HG23 ILE 19 HG23 ILE 19 -2.088 4.345 -1.730
137 HD11 ILE 19 HD11 ILE 19 -5.772 7.151 -1.702
138 HD12 ILE 19 HD12 ILE 19 -4.416 8.187 -1.273
139 HD13 ILE 19 HD13 ILE 19 -5.368 7.413 -0.002
140 H LYS 20 HN LYS 20 -1.317 7.899 -4.207
141 HA LYS 20 HA LYS 20 0.650 6.038 -4.972
142 HB2 LYS 20 HB2 LYS 20 -0.680 7.495 -6.527
143 HB3 LYS 20 HB1 LYS 20 0.309 8.857 -6.026
144 HG2 LYS 20 HG2 LYS 20 1.175 8.081 -8.092
145 HG3 LYS 20 HG1 LYS 20 2.315 7.592 -6.837
146 HD2 LYS 20 HD2 LYS 20 2.179 5.611 -7.938
147 HD3 LYS 20 HD1 LYS 20 0.785 5.404 -6.880
148 HE2 LYS 20 HE2 LYS 20 0.742 6.366 -9.741
149 HE3 LYS 20 HE1 LYS 20 0.233 4.783 -9.166
150 HZ1 LYS 20 HZ1 LYS 20 -1.056 7.395 -8.595
151 HZ2 LYS 20 HZ2 LYS 20 -1.494 5.943 -7.832
152 HZ3 LYS 20 HZ3 LYS 20 -1.688 6.114 -9.507
153 H LYS 21 HN LYS 21 0.827 9.189 -3.423
154 HA LYS 21 HA LYS 21 3.629 9.493 -3.398
155 HB2 LYS 21 HB2 LYS 21 1.422 10.541 -1.649
156 HB3 LYS 21 HB1 LYS 21 3.108 10.916 -1.322
157 HG2 LYS 21 HG2 LYS 21 1.959 11.426 -4.029
158 HG3 LYS 21 HG1 LYS 21 1.672 12.557 -2.706
159 HD2 LYS 21 HD2 LYS 21 3.587 13.357 -3.834
160 HD3 LYS 21 HD1 LYS 21 4.170 12.581 -2.365
161 HE2 LYS 21 HE2 LYS 21 4.773 10.596 -3.616
162 HE3 LYS 21 HE1 LYS 21 4.152 11.331 -5.099
163 HZ1 LYS 21 HZ1 LYS 21 5.827 13.005 -4.999
164 HZ2 LYS 21 HZ2 LYS 21 6.603 11.505 -4.814
165 HZ3 LYS 21 HZ3 LYS 21 6.341 12.495 -3.467
166 H ALA 22 HN ALA 22 1.400 8.071 -1.028
167 HA ALA 22 HA ALA 22 3.353 7.381 0.885
168 HB1 ALA 22 HB1 ALA 22 1.658 5.952 1.859
169 HB2 ALA 22 HB2 ALA 22 0.694 6.039 0.386
170 HB3 ALA 22 HB3 ALA 22 0.939 7.484 1.366
171 H TYR 23 HN TYR 23 2.020 5.658 -1.884
172 HA TYR 23 HA TYR 23 3.393 3.240 -1.493
173 HB2 TYR 23 HB2 TYR 23 1.783 2.970 -3.082
174 HB3 TYR 23 HB1 TYR 23 2.038 4.567 -3.783
175 HD1 TYR 23 HD2 TYR 23 3.428 1.120 -3.643
176 HD2 TYR 23 HD1 TYR 23 3.373 4.838 -5.707
177 HE1 TYR 23 HE2 TYR 23 4.703 0.111 -5.488
178 HE2 TYR 23 HE1 TYR 23 4.643 3.840 -7.557
179 HH TYR 23 HH TYR 23 6.208 1.934 -7.890
180 H ARG 24 HN ARG 24 4.320 6.180 -3.268
181 HA ARG 24 HA ARG 24 6.719 5.069 -4.279
182 HB2 ARG 24 HB2 ARG 24 5.763 7.920 -4.010
183 HB3 ARG 24 HB1 ARG 24 7.350 7.519 -4.657
184 HG2 ARG 24 HG2 ARG 24 6.303 6.213 -6.427
185 HG3 ARG 24 HG1 ARG 24 4.708 6.608 -5.776
186 HD2 ARG 24 HD2 ARG 24 5.273 9.009 -6.058
187 HD3 ARG 24 HD1 ARG 24 6.753 8.520 -6.883
188 HE ARG 24 HE ARG 24 4.539 7.289 -8.122
189 HH11 ARG 24 HH11 ARG 24 6.210 10.348 -7.848
190 HH12 ARG 24 HH12 ARG 24 5.548 10.994 -9.322
191 HH21 ARG 24 HH21 ARG 24 3.673 8.122 -10.074
192 HH22 ARG 24 HH22 ARG 24 4.078 9.744 -10.571
193 H ARG 25 HN ARG 25 6.024 6.920 -1.330
194 HA ARG 25 HA ARG 25 8.762 7.299 -0.661
195 HB2 ARG 25 HB2 ARG 25 7.999 7.934 1.552
196 HB3 ARG 25 HB1 ARG 25 6.941 8.648 0.344
197 HG2 ARG 25 HG2 ARG 25 5.288 6.893 0.760
198 HG3 ARG 25 HG1 ARG 25 6.349 6.193 1.983
199 HD2 ARG 25 HD2 ARG 25 4.592 7.574 2.984
200 HD3 ARG 25 HD1 ARG 25 6.199 8.227 3.305
201 HE ARG 25 HE ARG 25 5.704 9.770 1.370
202 HH11 ARG 25 HH11 ARG 25 3.160 8.424 3.380
203 HH12 ARG 25 HH12 ARG 25 2.104 9.783 3.139
204 HH21 ARG 25 HH21 ARG 25 4.277 11.524 1.019
205 HH22 ARG 25 HH22 ARG 25 2.727 11.526 1.811
206 H LYS 26 HN LYS 26 6.392 4.811 0.118
207 HA LYS 26 HA LYS 26 8.059 3.348 1.883
208 HB2 LYS 26 HB2 LYS 26 5.558 3.262 1.750
209 HB3 LYS 26 HB1 LYS 26 5.713 2.405 0.223
210 HG2 LYS 26 HG2 LYS 26 6.930 0.623 1.394
211 HG3 LYS 26 HG1 LYS 26 6.632 1.460 2.924
212 HD2 LYS 26 HD2 LYS 26 4.547 0.440 1.008
213 HD3 LYS 26 HD1 LYS 26 4.975 -0.304 2.550
214 HE2 LYS 26 HE2 LYS 26 3.712 2.405 2.115
215 HE3 LYS 26 HE1 LYS 26 2.927 0.972 2.771
216 HZ1 LYS 26 HZ1 LYS 26 3.439 2.226 4.627
217 HZ2 LYS 26 HZ2 LYS 26 4.946 2.718 4.030
218 HZ3 LYS 26 HZ3 LYS 26 4.731 1.125 4.575
219 H ALA 27 HN ALA 27 7.230 3.100 -1.529
220 HA ALA 27 HA ALA 27 8.721 0.883 -2.266
221 HB1 ALA 27 HB1 ALA 27 8.446 3.292 -4.035
222 HB2 ALA 27 HB2 ALA 27 7.067 2.269 -3.649
223 HB3 ALA 27 HB3 ALA 27 8.464 1.586 -4.487
224 H LEU 28 HN LEU 28 9.706 4.295 -2.085
225 HA LEU 28 HA LEU 28 12.280 3.975 -3.155
226 HB2 LEU 28 HB2 LEU 28 10.797 6.039 -1.739
227 HB3 LEU 28 HB1 LEU 28 12.502 6.045 -1.329
228 HG LEU 28 HG LEU 28 11.917 7.586 -3.188
229 HD11 LEU 28 HD11 LEU 28 13.751 6.931 -4.651
230 HD12 LEU 28 HD12 LEU 28 13.751 5.315 -3.945
231 HD13 LEU 28 HD13 LEU 28 14.183 6.710 -2.955
232 HD21 LEU 28 HD21 LEU 28 11.417 6.658 -5.393
233 HD22 LEU 28 HD22 LEU 28 10.153 6.257 -4.229
234 HD23 LEU 28 HD23 LEU 28 11.339 5.038 -4.697
235 H GLN 29 HN GLN 29 11.151 3.885 0.202
236 HA GLN 29 HA GLN 29 13.693 3.674 1.391
237 HB2 GLN 29 HB2 GLN 29 11.621 4.301 2.596
238 HB3 GLN 29 HB1 GLN 29 11.053 2.644 2.442
239 HG2 GLN 29 HG2 GLN 29 12.956 1.875 3.769
240 HG3 GLN 29 HG1 GLN 29 13.506 3.543 3.933
241 HE21 GLN 29 HE21 GLN 29 10.758 4.563 4.170
242 HE22 GLN 29 HE22 GLN 29 10.243 4.155 5.775
243 H TRP 30 HN TRP 30 11.563 1.287 -0.009
244 HA TRP 30 HA TRP 30 13.383 -0.838 0.870
245 HB2 TRP 30 HB2 TRP 30 10.538 -1.002 -0.128
246 HB3 TRP 30 HB1 TRP 30 11.547 -2.402 0.243
247 HD1 TRP 30 HD1 TRP 30 9.659 0.467 1.960
248 HE1 TRP 30 HE1 TRP 30 9.412 -0.095 4.464
249 HE3 TRP 30 HE3 TRP 30 12.593 -3.716 2.139
250 HZ2 TRP 30 HZ2 TRP 30 10.338 -2.062 6.266
251 HZ3 TRP 30 HZ3 TRP 30 12.860 -4.879 4.286
252 HH2 TRP 30 HH2 TRP 30 11.754 -4.067 6.310
253 H HIS 31 HN HIS 31 13.544 1.102 -1.518
254 HA HIS 31 HA HIS 31 13.702 -0.770 -3.723
255 HB2 HIS 31 HB2 HIS 31 14.019 2.145 -3.381
256 HB3 HIS 31 HB1 HIS 31 15.070 1.423 -4.595
257 HD1 HIS 31 HD1 HIS 31 13.212 3.272 -5.805
258 HD2 HIS 31 HD2 HIS 31 12.061 -0.634 -4.957
259 HE1 HIS 31 HE1 HIS 31 11.255 2.799 -7.313
260 HE2 HIS 31 HE2 HIS 31 10.773 0.350 -6.976
261 HA PRO 32 HA PRO 32 17.786 -2.324 -3.031
262 HB2 PRO 32 HB2 PRO 32 18.606 -2.389 -5.683
263 HB3 PRO 32 HB1 PRO 32 17.684 -3.657 -4.870
264 HG2 PRO 32 HG2 PRO 32 16.726 -1.455 -6.644
265 HG3 PRO 32 HG1 PRO 32 16.192 -3.142 -6.561
266 HD2 PRO 32 HD2 PRO 32 14.736 -1.190 -5.468
267 HD3 PRO 32 HD1 PRO 32 14.892 -2.768 -4.667
268 H ASP 33 HN ASP 33 17.217 0.496 -4.991
269 HA ASP 33 HA ASP 33 19.786 1.573 -5.159
270 HB2 ASP 33 HB2 ASP 33 17.159 3.039 -4.821
271 HB3 ASP 33 HB1 ASP 33 18.657 3.749 -5.405
272 H LYS 34 HN LYS 34 17.506 1.494 -2.499
273 HA LYS 34 HA LYS 34 19.279 3.229 -0.920
274 HB2 LYS 34 HB2 LYS 34 16.338 2.726 -0.506
275 HB3 LYS 34 HB1 LYS 34 17.339 3.867 0.369
276 HG2 LYS 34 HG2 LYS 34 16.597 4.007 -2.544
277 HG3 LYS 34 HG1 LYS 34 15.987 5.034 -1.246
278 HD2 LYS 34 HD2 LYS 34 18.204 5.946 -0.888
279 HD3 LYS 34 HD1 LYS 34 18.872 4.865 -2.112
280 HE2 LYS 34 HE2 LYS 34 17.433 5.942 -3.802
281 HE3 LYS 34 HE1 LYS 34 16.851 7.058 -2.566
282 HZ1 LYS 34 HZ1 LYS 34 19.675 6.788 -3.448
283 HZ2 LYS 34 HZ2 LYS 34 19.095 7.886 -2.294
284 HZ3 LYS 34 HZ3 LYS 34 18.615 8.026 -3.914
285 H ASN 35 HN ASN 35 17.586 0.192 -1.031
286 HA ASN 35 HA ASN 35 18.469 -0.486 1.694
287 HB2 ASN 35 HB2 ASN 35 16.035 -0.772 0.940
288 HB3 ASN 35 HB1 ASN 35 16.600 -2.069 -0.104
289 HD21 ASN 35 HD21 ASN 35 15.541 -3.716 0.898
290 HD22 ASN 35 HD22 ASN 35 15.882 -4.249 2.507
291 HA PRO 36 HA PRO 36 21.877 -2.404 -0.164
292 HB2 PRO 36 HB2 PRO 36 22.847 -3.855 1.889
293 HB3 PRO 36 HB1 PRO 36 22.863 -2.088 1.874
294 HG2 PRO 36 HG2 PRO 36 20.936 -3.950 3.210
295 HG3 PRO 36 HG1 PRO 36 21.706 -2.488 3.856
296 HD2 PRO 36 HD2 PRO 36 19.170 -2.510 2.895
297 HD3 PRO 36 HD1 PRO 36 20.224 -1.087 2.790
298 H ASP 37 HN ASP 37 22.050 -5.184 1.714
299 HA ASP 37 HA ASP 37 22.038 -6.627 -0.798
300 HB2 ASP 37 HB2 ASP 37 23.110 -7.293 1.922
301 HB3 ASP 37 HB1 ASP 37 23.093 -8.461 0.606
302 H ASN 38 HN ASN 38 19.819 -6.229 1.684
303 HA ASN 38 HA ASN 38 18.608 -8.832 1.062
304 HB2 ASN 38 HB2 ASN 38 18.110 -6.831 3.259
305 HB3 ASN 38 HB1 ASN 38 16.952 -8.109 2.895
306 HD21 ASN 38 HD21 ASN 38 20.166 -7.391 4.049
307 HD22 ASN 38 HD22 ASN 38 20.454 -8.932 4.780
308 H LYS 39 HN LYS 39 17.681 -8.600 -0.877
309 HA LYS 39 HA LYS 39 16.042 -6.223 -1.342
310 HB2 LYS 39 HB2 LYS 39 17.188 -8.236 -3.276
311 HB3 LYS 39 HB1 LYS 39 16.212 -6.843 -3.731
312 HG2 LYS 39 HG2 LYS 39 17.873 -5.323 -3.117
313 HG3 LYS 39 HG1 LYS 39 18.737 -6.520 -2.150
314 HD2 LYS 39 HD2 LYS 39 19.336 -7.734 -4.168
315 HD3 LYS 39 HD1 LYS 39 18.452 -6.563 -5.152
316 HE2 LYS 39 HE2 LYS 39 20.828 -6.077 -5.209
317 HE3 LYS 39 HE1 LYS 39 19.965 -4.789 -4.368
318 HZ1 LYS 39 HZ1 LYS 39 20.667 -5.698 -2.269
319 HZ2 LYS 39 HZ2 LYS 39 22.030 -5.443 -3.241
320 HZ3 LYS 39 HZ3 LYS 39 21.416 -7.016 -3.032
321 H GLU 40 HN GLU 40 15.819 -9.633 -0.865
322 HA GLU 40 HA GLU 40 13.375 -10.066 -2.239
323 HB2 GLU 40 HB2 GLU 40 14.978 -11.858 -1.415
324 HB3 GLU 40 HB1 GLU 40 14.273 -11.618 0.181
325 HG2 GLU 40 HG2 GLU 40 12.022 -12.047 -0.926
326 HG3 GLU 40 HG1 GLU 40 12.944 -12.632 -2.308
327 H PHE 41 HN PHE 41 14.143 -9.208 1.088
328 HA PHE 41 HA PHE 41 11.468 -9.192 2.021
329 HB2 PHE 41 HB2 PHE 41 13.884 -7.689 3.054
330 HB3 PHE 41 HB1 PHE 41 12.359 -7.875 3.915
331 HD1 PHE 41 HD2 PHE 41 11.649 -10.109 4.688
332 HD2 PHE 41 HD1 PHE 41 15.506 -9.409 3.038
333 HE1 PHE 41 HE2 PHE 41 12.439 -12.231 5.647
334 HE2 PHE 41 HE1 PHE 41 16.303 -11.535 3.986
335 HZ PHE 41 HZ PHE 41 14.766 -12.949 5.294
336 H ALA 42 HN ALA 42 13.554 -6.816 0.538
337 HA ALA 42 HA ALA 42 11.878 -4.569 0.863
338 HB1 ALA 42 HB1 ALA 42 14.129 -5.205 -1.025
339 HB2 ALA 42 HB2 ALA 42 14.140 -4.149 0.392
340 HB3 ALA 42 HB3 ALA 42 13.270 -3.666 -1.061
341 H GLU 43 HN GLU 43 12.272 -6.900 -1.807
342 HA GLU 43 HA GLU 43 10.355 -5.647 -3.472
343 HB2 GLU 43 HB2 GLU 43 10.391 -7.669 -4.822
344 HB3 GLU 43 HB1 GLU 43 12.020 -7.167 -4.405
345 HG2 GLU 43 HG2 GLU 43 12.128 -8.889 -2.698
346 HG3 GLU 43 HG1 GLU 43 10.474 -9.375 -3.072
347 H LYS 44 HN LYS 44 10.107 -8.198 -1.037
348 HA LYS 44 HA LYS 44 7.402 -8.833 -1.417
349 HB2 LYS 44 HB2 LYS 44 9.243 -8.949 0.944
350 HB3 LYS 44 HB1 LYS 44 7.527 -9.263 1.167
351 HG2 LYS 44 HG2 LYS 44 7.634 -11.074 -0.459
352 HG3 LYS 44 HG1 LYS 44 9.349 -10.748 -0.719
353 HD2 LYS 44 HD2 LYS 44 9.904 -11.431 1.480
354 HD3 LYS 44 HD1 LYS 44 8.212 -11.437 1.980
355 HE2 LYS 44 HE2 LYS 44 9.038 -13.708 1.633
356 HE3 LYS 44 HE1 LYS 44 7.763 -13.310 0.486
357 HZ1 LYS 44 HZ1 LYS 44 9.461 -14.426 -0.692
358 HZ2 LYS 44 HZ2 LYS 44 10.681 -13.449 -0.037
359 HZ3 LYS 44 HZ3 LYS 44 9.566 -12.792 -1.142
360 H LYS 45 HN LYS 45 8.926 -6.241 0.451
361 HA LYS 45 HA LYS 45 6.456 -5.221 1.455
362 HB2 LYS 45 HB2 LYS 45 9.225 -4.049 1.281
363 HB3 LYS 45 HB1 LYS 45 7.858 -3.163 1.949
364 HG2 LYS 45 HG2 LYS 45 9.057 -5.722 2.971
365 HG3 LYS 45 HG1 LYS 45 9.026 -4.148 3.768
366 HD2 LYS 45 HD2 LYS 45 6.569 -4.285 3.851
367 HD3 LYS 45 HD1 LYS 45 6.663 -5.882 3.127
368 HE2 LYS 45 HE2 LYS 45 7.992 -6.647 5.045
369 HE3 LYS 45 HE1 LYS 45 7.799 -5.061 5.786
370 HZ1 LYS 45 HZ1 LYS 45 5.428 -5.396 5.874
371 HZ2 LYS 45 HZ2 LYS 45 6.200 -6.707 6.626
372 HZ3 LYS 45 HZ3 LYS 45 5.560 -6.879 5.059
373 H PHE 46 HN PHE 46 8.469 -4.554 -1.341
374 HA PHE 46 HA PHE 46 7.038 -2.361 -2.361
375 HB2 PHE 46 HB2 PHE 46 9.264 -3.148 -3.187
376 HB3 PHE 46 HB1 PHE 46 8.460 -4.523 -3.939
377 HD1 PHE 46 HD1 PHE 46 8.756 -0.845 -3.982
378 HD2 PHE 46 HD2 PHE 46 7.403 -4.318 -6.035
379 HE1 PHE 46 HE1 PHE 46 8.377 0.501 -6.006
380 HE2 PHE 46 HE2 PHE 46 7.019 -2.977 -8.061
381 HZ PHE 46 HZ PHE 46 7.509 -0.561 -8.047
382 H LYS 47 HN LYS 47 6.607 -5.848 -2.716
383 HA LYS 47 HA LYS 47 4.363 -5.756 -4.429
384 HB2 LYS 47 HB2 LYS 47 5.611 -7.818 -4.088
385 HB3 LYS 47 HB1 LYS 47 5.185 -7.826 -2.381
386 HG2 LYS 47 HG2 LYS 47 2.822 -8.102 -2.988
387 HG3 LYS 47 HG1 LYS 47 3.282 -8.138 -4.691
388 HD2 LYS 47 HD2 LYS 47 4.645 -10.131 -4.275
389 HD3 LYS 47 HD1 LYS 47 4.177 -10.093 -2.574
390 HE2 LYS 47 HE2 LYS 47 2.267 -10.388 -4.888
391 HE3 LYS 47 HE1 LYS 47 2.879 -11.720 -3.911
392 HZ1 LYS 47 HZ1 LYS 47 1.830 -10.746 -1.974
393 HZ2 LYS 47 HZ2 LYS 47 0.686 -11.004 -3.193
394 HZ3 LYS 47 HZ3 LYS 47 1.260 -9.439 -2.890
395 H GLU 48 HN GLU 48 4.691 -5.723 -0.908
396 HA GLU 48 HA GLU 48 1.963 -5.970 -0.291
397 HB2 GLU 48 HB2 GLU 48 4.290 -4.829 1.228
398 HB3 GLU 48 HB1 GLU 48 2.662 -4.801 1.891
399 HG2 GLU 48 HG2 GLU 48 2.608 -7.295 1.537
400 HG3 GLU 48 HG1 GLU 48 4.338 -7.190 1.201
401 H VAL 49 HN VAL 49 3.980 -3.076 -0.757
402 HA VAL 49 HA VAL 49 1.826 -1.292 -0.211
403 HB VAL 49 HB VAL 49 4.074 -0.455 0.027
404 HG11 VAL 49 HG11 VAL 49 4.427 -0.721 -2.949
405 HG12 VAL 49 HG12 VAL 49 5.069 -1.871 -1.781
406 HG13 VAL 49 HG13 VAL 49 5.625 -0.197 -1.764
407 HG21 VAL 49 HG21 VAL 49 3.881 1.636 -1.105
408 HG22 VAL 49 HG22 VAL 49 2.255 1.099 -0.676
409 HG23 VAL 49 HG23 VAL 49 2.831 0.933 -2.331
410 H ALA 50 HN ALA 50 3.114 -2.754 -3.156
411 HA ALA 50 HA ALA 50 1.663 -1.219 -5.001
412 HB1 ALA 50 HB1 ALA 50 2.431 -4.107 -5.350
413 HB2 ALA 50 HB2 ALA 50 3.557 -2.764 -5.521
414 HB3 ALA 50 HB3 ALA 50 2.176 -2.898 -6.610
415 H GLU 51 HN GLU 51 0.815 -4.280 -3.395
416 HA GLU 51 HA GLU 51 -1.666 -4.547 -4.773
417 HB2 GLU 51 HB2 GLU 51 -2.133 -6.331 -3.120
418 HB3 GLU 51 HB1 GLU 51 -0.559 -6.510 -3.879
419 HG2 GLU 51 HG2 GLU 51 0.456 -5.441 -1.871
420 HG3 GLU 51 HG1 GLU 51 -1.132 -5.472 -1.116
421 H ALA 52 HN ALA 52 -0.731 -3.306 -1.607
422 HA ALA 52 HA ALA 52 -3.394 -3.006 -0.667
423 HB1 ALA 52 HB1 ALA 52 -1.346 -3.329 0.737
424 HB2 ALA 52 HB2 ALA 52 -2.431 -2.039 1.269
425 HB3 ALA 52 HB3 ALA 52 -0.943 -1.642 0.408
426 H TYR 53 HN TYR 53 -1.026 -0.797 -2.099
427 HA TYR 53 HA TYR 53 -2.667 1.505 -1.765
428 HB2 TYR 53 HB2 TYR 53 -0.833 2.613 -2.420
429 HB3 TYR 53 HB1 TYR 53 -0.022 1.058 -2.475
430 HD1 TYR 53 HD2 TYR 53 0.400 -0.044 -4.633
431 HD2 TYR 53 HD1 TYR 53 -1.458 3.775 -4.432
432 HE1 TYR 53 HE2 TYR 53 0.875 0.307 -7.022
433 HE2 TYR 53 HE1 TYR 53 -0.985 4.138 -6.812
434 HH TYR 53 HH TYR 53 -0.049 1.692 -8.911
435 H GLU 54 HN GLU 54 -2.270 -0.915 -4.261
436 HA GLU 54 HA GLU 54 -3.739 0.290 -6.321
437 HB2 GLU 54 HB2 GLU 54 -2.362 -1.778 -6.518
438 HB3 GLU 54 HB1 GLU 54 -3.600 -2.651 -5.630
439 HG2 GLU 54 HG2 GLU 54 -5.210 -2.138 -7.413
440 HG3 GLU 54 HG1 GLU 54 -3.926 -1.329 -8.312
441 H VAL 55 HN VAL 55 -4.792 -1.740 -3.602
442 HA VAL 55 HA VAL 55 -7.553 -1.729 -4.278
443 HB VAL 55 HB VAL 55 -6.257 -2.138 -1.570
444 HG11 VAL 55 HG11 VAL 55 -9.041 -2.763 -2.541
445 HG12 VAL 55 HG12 VAL 55 -8.585 -1.672 -1.232
446 HG13 VAL 55 HG13 VAL 55 -8.344 -3.408 -1.058
447 HG21 VAL 55 HG21 VAL 55 -7.103 -4.149 -3.652
448 HG22 VAL 55 HG22 VAL 55 -6.473 -4.525 -2.049
449 HG23 VAL 55 HG23 VAL 55 -5.444 -3.720 -3.233
450 H LEU 56 HN LEU 56 -5.569 0.264 -2.140
451 HA LEU 56 HA LEU 56 -7.761 1.738 -1.088
452 HB2 LEU 56 HB2 LEU 56 -5.694 1.391 0.154
453 HB3 LEU 56 HB1 LEU 56 -4.803 2.318 -1.032
454 HG LEU 56 HG LEU 56 -5.990 4.344 -0.382
455 HD11 LEU 56 HD11 LEU 56 -7.510 4.353 1.525
456 HD12 LEU 56 HD12 LEU 56 -7.413 2.596 1.594
457 HD13 LEU 56 HD13 LEU 56 -8.136 3.380 0.194
458 HD21 LEU 56 HD21 LEU 56 -3.953 3.750 0.824
459 HD22 LEU 56 HD22 LEU 56 -4.908 2.837 1.992
460 HD23 LEU 56 HD23 LEU 56 -5.095 4.587 1.875
461 H SER 57 HN SER 57 -5.999 2.032 -4.022
462 HA SER 57 HA SER 57 -6.503 4.861 -4.334
463 HB2 SER 57 HB2 SER 57 -5.481 2.809 -6.306
464 HB3 SER 57 HB1 SER 57 -5.588 4.541 -6.621
465 HG SER 57 HG SER 57 -4.009 3.229 -4.659
466 H ASP 58 HN ASP 58 -8.290 2.000 -4.872
467 HA ASP 58 HA ASP 58 -9.966 3.350 -6.883
468 HB2 ASP 58 HB2 ASP 58 -9.013 1.264 -7.687
469 HB3 ASP 58 HB1 ASP 58 -9.655 0.402 -6.289
470 H LYS 59 HN LYS 59 -11.875 4.023 -6.310
471 HA LYS 59 HA LYS 59 -12.888 3.880 -3.725
472 HB2 LYS 59 HB2 LYS 59 -14.876 4.889 -4.629
473 HB3 LYS 59 HB1 LYS 59 -13.460 5.669 -5.289
474 HG2 LYS 59 HG2 LYS 59 -15.098 3.584 -6.723
475 HG3 LYS 59 HG1 LYS 59 -15.359 5.318 -6.873
476 HD2 LYS 59 HD2 LYS 59 -13.004 5.526 -7.685
477 HD3 LYS 59 HD1 LYS 59 -12.907 3.763 -7.672
478 HE2 LYS 59 HE2 LYS 59 -13.417 4.625 -9.905
479 HE3 LYS 59 HE1 LYS 59 -14.721 3.620 -9.272
480 HZ1 LYS 59 HZ1 LYS 59 -16.028 5.516 -8.813
481 HZ2 LYS 59 HZ2 LYS 59 -15.421 5.740 -10.381
482 HZ3 LYS 59 HZ3 LYS 59 -14.734 6.579 -9.075
483 H HIS 60 HN HIS 60 -13.719 2.045 -6.580
484 HA HIS 60 HA HIS 60 -15.905 0.629 -5.523
485 HB2 HIS 60 HB2 HIS 60 -15.454 0.734 -7.926
486 HB3 HIS 60 HB1 HIS 60 -13.962 -0.169 -7.707
487 HD1 HIS 60 HD1 HIS 60 -17.722 -0.631 -7.503
488 HD2 HIS 60 HD2 HIS 60 -14.238 -2.898 -7.754
489 HE1 HIS 60 HE1 HIS 60 -18.475 -2.994 -7.930
490 HE2 HIS 60 HE2 HIS 60 -16.355 -4.350 -8.101
491 H LYS 61 HN LYS 61 -12.452 -0.058 -5.604
492 HA LYS 61 HA LYS 61 -12.644 -2.575 -4.308
493 HB2 LYS 61 HB2 LYS 61 -10.684 -1.230 -5.629
494 HB3 LYS 61 HB1 LYS 61 -10.160 -1.018 -3.966
495 HG2 LYS 61 HG2 LYS 61 -9.168 -2.985 -5.125
496 HG3 LYS 61 HG1 LYS 61 -10.014 -3.367 -3.628
497 HD2 LYS 61 HD2 LYS 61 -10.436 -4.941 -5.549
498 HD3 LYS 61 HD1 LYS 61 -11.875 -4.259 -4.795
499 HE2 LYS 61 HE2 LYS 61 -12.109 -4.246 -7.203
500 HE3 LYS 61 HE1 LYS 61 -12.012 -2.598 -6.590
501 HZ1 LYS 61 HZ1 LYS 61 -10.691 -2.827 -8.560
502 HZ2 LYS 61 HZ2 LYS 61 -9.820 -4.121 -7.895
503 HZ3 LYS 61 HZ3 LYS 61 -9.659 -2.564 -7.240
504 H ARG 62 HN ARG 62 -12.317 0.744 -3.178
505 HA ARG 62 HA ARG 62 -11.770 0.211 -0.470
506 HB2 ARG 62 HB2 ARG 62 -13.221 2.498 -1.795
507 HB3 ARG 62 HB1 ARG 62 -12.893 2.452 -0.071
508 HG2 ARG 62 HG2 ARG 62 -10.493 2.396 -0.533
509 HG3 ARG 62 HG1 ARG 62 -10.832 2.447 -2.266
510 HD2 ARG 62 HD2 ARG 62 -11.904 4.604 -2.032
511 HD3 ARG 62 HD1 ARG 62 -11.711 4.543 -0.282
512 HE ARG 62 HE ARG 62 -9.196 4.328 -1.563
513 HH11 ARG 62 HH11 ARG 62 -11.708 6.675 -0.861
514 HH12 ARG 62 HH12 ARG 62 -10.603 8.021 -0.809
515 HH21 ARG 62 HH21 ARG 62 -7.756 6.078 -1.479
516 HH22 ARG 62 HH22 ARG 62 -8.343 7.675 -1.124
517 H GLU 63 HN GLU 63 -14.872 0.647 -2.172
518 HA GLU 63 HA GLU 63 -16.403 0.335 0.210
519 HB2 GLU 63 HB2 GLU 63 -18.361 0.193 -1.300
520 HB3 GLU 63 HB1 GLU 63 -17.350 1.597 -1.601
521 HG2 GLU 63 HG2 GLU 63 -16.408 0.568 -3.550
522 HG3 GLU 63 HG1 GLU 63 -17.250 -0.942 -3.205
523 H ILE 64 HN ILE 64 -15.373 -1.864 -2.341
524 HA ILE 64 HA ILE 64 -16.833 -4.109 -1.447
525 HB ILE 64 HB ILE 64 -14.534 -3.684 -3.268
526 HG12 ILE 64 HG12 ILE 64 -15.861 -5.161 -4.716
527 HG13 ILE 64 HG11 ILE 64 -16.974 -5.469 -3.390
528 HG21 ILE 64 HG21 ILE 64 -15.050 -6.410 -2.091
529 HG22 ILE 64 HG22 ILE 64 -13.617 -5.423 -1.803
530 HG23 ILE 64 HG23 ILE 64 -13.954 -6.040 -3.420
531 HD11 ILE 64 HD11 ILE 64 -16.506 -2.815 -4.727
532 HD12 ILE 64 HD12 ILE 64 -17.622 -3.121 -3.396
533 HD13 ILE 64 HD13 ILE 64 -17.894 -3.877 -4.967
534 H TYR 65 HN TYR 65 -13.600 -2.887 -0.635
535 HA TYR 65 HA TYR 65 -12.940 -4.966 1.158
536 HB2 TYR 65 HB2 TYR 65 -11.248 -3.421 0.246
537 HB3 TYR 65 HB1 TYR 65 -11.984 -2.093 1.138
538 HD1 TYR 65 HD1 TYR 65 -10.237 -5.343 1.574
539 HD2 TYR 65 HD2 TYR 65 -11.389 -1.662 3.370
540 HE1 TYR 65 HE1 TYR 65 -8.833 -5.861 3.525
541 HE2 TYR 65 HE2 TYR 65 -9.982 -2.166 5.321
542 HH TYR 65 HH TYR 65 -7.724 -4.763 5.351
543 H ASP 66 HN ASP 66 -14.688 -1.948 1.509
544 HA ASP 66 HA ASP 66 -14.761 -1.821 4.318
545 HB2 ASP 66 HB2 ASP 66 -15.295 0.098 2.942
546 HB3 ASP 66 HB1 ASP 66 -16.660 -0.744 2.230
547 H ARG 67 HN ARG 67 -17.167 -3.118 1.998
548 HA ARG 67 HA ARG 67 -18.726 -4.134 4.213
549 HB2 ARG 67 HB2 ARG 67 -20.285 -4.886 2.464
550 HB3 ARG 67 HB1 ARG 67 -19.892 -3.176 2.346
551 HG2 ARG 67 HG2 ARG 67 -18.098 -3.978 0.641
552 HG3 ARG 67 HG1 ARG 67 -19.105 -5.427 0.554
553 HD2 ARG 67 HD2 ARG 67 -20.021 -2.606 0.116
554 HD3 ARG 67 HD1 ARG 67 -19.712 -3.790 -1.158
555 HE ARG 67 HE ARG 67 -21.513 -5.077 0.367
556 HH11 ARG 67 HH11 ARG 67 -21.514 -1.801 -0.902
557 HH12 ARG 67 HH12 ARG 67 -23.240 -1.755 -1.078
558 HH21 ARG 67 HH21 ARG 67 -23.780 -4.994 0.114
559 HH22 ARG 67 HH22 ARG 67 -24.517 -3.547 -0.519
560 H TYR 68 HN TYR 68 -16.837 -5.576 1.549
561 HA TYR 68 HA TYR 68 -17.699 -8.225 2.439
562 HB2 TYR 68 HB2 TYR 68 -17.867 -7.544 0.039
563 HB3 TYR 68 HB1 TYR 68 -16.113 -7.450 -0.019
564 HD1 TYR 68 HD1 TYR 68 -18.778 -9.882 0.958
565 HD2 TYR 68 HD2 TYR 68 -14.991 -9.273 -0.878
566 HE1 TYR 68 HE1 TYR 68 -18.703 -12.258 0.338
567 HE2 TYR 68 HE2 TYR 68 -14.901 -11.650 -1.495
568 HH TYR 68 HH TYR 68 -15.881 -13.790 -0.749
569 H GLY 69 HN GLY 69 -15.090 -6.143 2.839
570 HA2 GLY 69 HA2 GLY 69 -13.028 -8.146 3.066
571 HA3 GLY 69 HA1 GLY 69 -12.921 -6.457 3.548
572 H ARG 70 HN ARG 70 -14.842 -6.139 5.287
573 HA ARG 70 HA ARG 70 -13.775 -7.249 7.646
574 HB2 ARG 70 HB2 ARG 70 -16.327 -5.706 7.205
575 HB3 ARG 70 HB1 ARG 70 -15.643 -6.077 8.782
576 HG2 ARG 70 HG2 ARG 70 -14.407 -4.384 6.626
577 HG3 ARG 70 HG1 ARG 70 -15.057 -3.832 8.172
578 HD2 ARG 70 HD2 ARG 70 -12.654 -5.608 7.751
579 HD3 ARG 70 HD1 ARG 70 -12.636 -3.928 8.284
580 HE ARG 70 HE ARG 70 -14.101 -5.005 10.209
581 HH11 ARG 70 HH11 ARG 70 -11.201 -6.275 8.696
582 HH12 ARG 70 HH12 ARG 70 -10.653 -7.087 10.136
583 HH21 ARG 70 HH21 ARG 70 -13.383 -6.075 12.103
584 HH22 ARG 70 HH22 ARG 70 -11.893 -6.970 12.075
585 H GLU 71 HN GLU 71 -16.395 -8.308 5.608
586 HA GLU 71 HA GLU 71 -17.860 -9.838 7.440
587 HB2 GLU 71 HB2 GLU 71 -17.359 -10.310 4.500
588 HB3 GLU 71 HB1 GLU 71 -18.520 -11.217 5.454
589 HG2 GLU 71 HG2 GLU 71 -18.582 -8.264 4.906
590 HG3 GLU 71 HG1 GLU 71 -19.604 -9.488 4.158
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -7.351 8.744 13.832
2 H2 MET 1 HT2 MET 1 -8.582 8.179 12.813
3 H3 MET 1 HT3 MET 1 -7.131 8.751 12.148
4 HA MET 1 HA MET 1 -5.914 6.934 13.127
5 HB2 MET 1 HB2 MET 1 -8.645 5.977 14.024
6 HB3 MET 1 HB1 MET 1 -7.138 5.092 14.202
7 HG2 MET 1 HG2 MET 1 -7.823 7.704 15.530
8 HG3 MET 1 HG1 MET 1 -7.830 6.115 16.293
9 HE1 MET 1 HE1 MET 1 -6.255 8.591 17.518
10 HE2 MET 1 HE2 MET 1 -4.746 7.802 17.979
11 HE3 MET 1 HE3 MET 1 -6.285 6.978 18.230
12 H ALA 2 HN ALA 2 -5.570 5.114 11.811
13 HA ALA 2 HA ALA 2 -7.590 4.019 10.133
14 HB1 ALA 2 HB1 ALA 2 -6.919 4.801 7.988
15 HB2 ALA 2 HB2 ALA 2 -5.530 5.651 8.660
16 HB3 ALA 2 HB3 ALA 2 -7.163 6.228 8.996
17 H SER 3 HN SER 3 -6.933 2.134 9.177
18 HA SER 3 HA SER 3 -4.367 1.081 9.976
19 HB2 SER 3 HB2 SER 3 -6.511 -0.180 8.240
20 HB3 SER 3 HB1 SER 3 -5.160 -1.016 9.010
21 HG SER 3 HG SER 3 -6.884 0.484 10.622
22 H TYR 4 HN TYR 4 -5.652 2.816 7.372
23 HA TYR 4 HA TYR 4 -3.961 1.893 5.280
24 HB2 TYR 4 HB2 TYR 4 -5.165 4.661 5.608
25 HB3 TYR 4 HB1 TYR 4 -4.542 3.965 4.120
26 HD1 TYR 4 HD2 TYR 4 -5.719 1.815 3.269
27 HD2 TYR 4 HD1 TYR 4 -7.427 4.472 6.116
28 HE1 TYR 4 HE2 TYR 4 -7.956 0.945 2.728
29 HE2 TYR 4 HE1 TYR 4 -9.668 3.612 5.585
30 HH TYR 4 HH TYR 4 -10.851 2.471 3.879
31 H TYR 5 HN TYR 5 -3.575 3.999 7.965
32 HA TYR 5 HA TYR 5 -1.296 5.453 7.266
33 HB2 TYR 5 HB2 TYR 5 -2.808 5.671 9.331
34 HB3 TYR 5 HB1 TYR 5 -1.874 4.348 10.018
35 HD1 TYR 5 HD2 TYR 5 0.609 4.692 10.405
36 HD2 TYR 5 HD1 TYR 5 -2.022 7.877 9.386
37 HE1 TYR 5 HE2 TYR 5 2.256 6.313 11.242
38 HE2 TYR 5 HE1 TYR 5 -0.382 9.504 10.223
39 HH TYR 5 HH TYR 5 2.797 8.766 10.801
40 H GLU 6 HN GLU 6 -1.714 2.205 8.567
41 HA GLU 6 HA GLU 6 1.060 1.698 8.922
42 HB2 GLU 6 HB2 GLU 6 -1.330 -0.128 8.824
43 HB3 GLU 6 HB1 GLU 6 0.306 -0.687 9.152
44 HG2 GLU 6 HG2 GLU 6 -1.180 1.358 10.763
45 HG3 GLU 6 HG1 GLU 6 -1.013 -0.347 11.192
46 H ILE 7 HN ILE 7 -1.284 0.949 6.353
47 HA ILE 7 HA ILE 7 0.457 -0.862 5.030
48 HB ILE 7 HB ILE 7 -1.216 -0.746 3.177
49 HG12 ILE 7 HG12 ILE 7 -2.894 0.841 5.082
50 HG13 ILE 7 HG11 ILE 7 -1.846 1.659 3.937
51 HG21 ILE 7 HG21 ILE 7 -2.787 -2.065 4.306
52 HG22 ILE 7 HG22 ILE 7 -2.582 -1.172 5.813
53 HG23 ILE 7 HG23 ILE 7 -1.307 -2.263 5.252
54 HD11 ILE 7 HD11 ILE 7 -3.011 0.469 2.107
55 HD12 ILE 7 HD12 ILE 7 -4.054 1.515 3.060
56 HD13 ILE 7 HD13 ILE 7 -4.101 -0.224 3.309
57 H LEU 8 HN LEU 8 -0.471 2.510 4.444
58 HA LEU 8 HA LEU 8 1.664 2.679 2.435
59 HB2 LEU 8 HB2 LEU 8 -0.334 4.851 3.015
60 HB3 LEU 8 HB1 LEU 8 0.643 4.621 1.578
61 HG LEU 8 HG LEU 8 -1.651 2.882 2.436
62 HD11 LEU 8 HD11 LEU 8 -2.387 5.078 1.718
63 HD12 LEU 8 HD12 LEU 8 -2.817 3.858 0.520
64 HD13 LEU 8 HD13 LEU 8 -1.444 4.927 0.236
65 HD21 LEU 8 HD21 LEU 8 0.047 1.637 1.190
66 HD22 LEU 8 HD22 LEU 8 -0.006 2.843 -0.096
67 HD23 LEU 8 HD23 LEU 8 -1.421 1.843 0.234
68 H ASP 9 HN ASP 9 0.248 4.938 4.717
69 HA ASP 9 HA ASP 9 2.267 5.449 6.477
70 HB2 ASP 9 HB2 ASP 9 3.778 5.931 4.607
71 HB3 ASP 9 HB1 ASP 9 2.638 7.113 3.971
72 H VAL 10 HN VAL 10 -0.165 6.687 4.369
73 HA VAL 10 HA VAL 10 -0.962 8.689 6.372
74 HB VAL 10 HB VAL 10 -1.926 10.006 4.494
75 HG11 VAL 10 HG11 VAL 10 1.029 9.441 4.280
76 HG12 VAL 10 HG12 VAL 10 0.259 10.588 5.377
77 HG13 VAL 10 HG13 VAL 10 0.208 10.864 3.635
78 HG21 VAL 10 HG21 VAL 10 -1.252 9.501 2.195
79 HG22 VAL 10 HG22 VAL 10 -2.218 8.195 2.882
80 HG23 VAL 10 HG23 VAL 10 -0.468 8.020 2.750
81 HA PRO 11 HA PRO 11 -4.914 6.677 6.387
82 HB2 PRO 11 HB2 PRO 11 -6.469 8.622 7.374
83 HB3 PRO 11 HB1 PRO 11 -5.198 7.874 8.349
84 HG2 PRO 11 HG2 PRO 11 -5.182 10.491 6.900
85 HG3 PRO 11 HG1 PRO 11 -4.562 10.101 8.514
86 HD2 PRO 11 HD2 PRO 11 -2.999 10.284 6.257
87 HD3 PRO 11 HD1 PRO 11 -2.577 9.329 7.692
88 H ARG 12 HN ARG 12 -7.347 7.299 5.827
89 HA ARG 12 HA ARG 12 -7.347 7.675 2.991
90 HB2 ARG 12 HB2 ARG 12 -9.784 7.346 3.187
91 HB3 ARG 12 HB1 ARG 12 -8.861 6.059 3.945
92 HG2 ARG 12 HG2 ARG 12 -9.271 7.101 6.133
93 HG3 ARG 12 HG1 ARG 12 -10.229 8.352 5.340
94 HD2 ARG 12 HD2 ARG 12 -11.735 6.576 4.480
95 HD3 ARG 12 HD1 ARG 12 -10.818 5.396 5.417
96 HE ARG 12 HE ARG 12 -12.147 7.671 6.731
97 HH11 ARG 12 HH11 ARG 12 -11.709 4.224 6.330
98 HH12 ARG 12 HH12 ARG 12 -12.603 3.813 7.766
99 HH21 ARG 12 HH21 ARG 12 -13.351 7.134 8.593
100 HH22 ARG 12 HH22 ARG 12 -13.538 5.465 9.040
101 H SER 13 HN SER 13 -7.806 9.702 5.683
102 HA SER 13 HA SER 13 -9.321 11.767 4.524
103 HB2 SER 13 HB2 SER 13 -8.732 11.462 6.984
104 HB3 SER 13 HB1 SER 13 -7.158 12.152 6.599
105 HG SER 13 HG SER 13 -9.468 13.412 7.078
106 H ALA 14 HN ALA 14 -6.031 10.803 4.128
107 HA ALA 14 HA ALA 14 -5.059 13.269 3.053
108 HB1 ALA 14 HB1 ALA 14 -3.073 12.090 2.527
109 HB2 ALA 14 HB2 ALA 14 -3.898 10.534 2.577
110 HB3 ALA 14 HB3 ALA 14 -3.638 11.443 4.067
111 H SER 15 HN SER 15 -4.674 13.763 0.864
112 HA SER 15 HA SER 15 -6.836 13.018 -0.822
113 HB2 SER 15 HB2 SER 15 -4.318 14.510 -1.585
114 HB3 SER 15 HB1 SER 15 -5.880 14.562 -2.406
115 HG SER 15 HG SER 15 -5.204 16.287 -0.738
116 H ALA 16 HN ALA 16 -6.615 12.142 -3.018
117 HA ALA 16 HA ALA 16 -5.458 9.626 -3.070
118 HB1 ALA 16 HB1 ALA 16 -5.869 9.619 -5.464
119 HB2 ALA 16 HB2 ALA 16 -6.079 11.369 -5.436
120 HB3 ALA 16 HB3 ALA 16 -7.227 10.333 -4.593
121 H ASP 17 HN ASP 17 -4.133 12.690 -4.117
122 HA ASP 17 HA ASP 17 -1.816 11.765 -5.389
123 HB2 ASP 17 HB2 ASP 17 -2.304 14.334 -3.870
124 HB3 ASP 17 HB1 ASP 17 -0.914 14.036 -4.906
125 H ASP 18 HN ASP 18 -2.472 12.523 -2.005
126 HA ASP 18 HA ASP 18 0.126 12.146 -0.999
127 HB2 ASP 18 HB2 ASP 18 -2.571 11.790 0.312
128 HB3 ASP 18 HB1 ASP 18 -1.049 11.638 1.180
129 H ILE 19 HN ILE 19 -2.586 9.904 -1.380
130 HA ILE 19 HA ILE 19 -1.335 7.640 -0.299
131 HB ILE 19 HB ILE 19 -3.609 8.023 -2.202
132 HG12 ILE 19 HG12 ILE 19 -4.691 6.623 -0.309
133 HG13 ILE 19 HG11 ILE 19 -3.234 7.024 0.595
134 HG21 ILE 19 HG21 ILE 19 -2.446 6.040 -3.045
135 HG22 ILE 19 HG22 ILE 19 -4.008 5.638 -2.335
136 HG23 ILE 19 HG23 ILE 19 -2.522 5.317 -1.438
137 HD11 ILE 19 HD11 ILE 19 -5.431 8.790 -0.340
138 HD12 ILE 19 HD12 ILE 19 -3.811 9.449 -0.135
139 HD13 ILE 19 HD13 ILE 19 -4.638 8.704 1.236
140 H LYS 20 HN LYS 20 -1.496 8.781 -3.666
141 HA LYS 20 HA LYS 20 0.090 6.761 -4.792
142 HB2 LYS 20 HB2 LYS 20 -1.202 8.318 -6.163
143 HB3 LYS 20 HB1 LYS 20 -0.189 9.655 -5.632
144 HG2 LYS 20 HG2 LYS 20 1.741 8.631 -6.721
145 HG3 LYS 20 HG1 LYS 20 0.731 7.283 -7.247
146 HD2 LYS 20 HD2 LYS 20 0.277 10.169 -8.000
147 HD3 LYS 20 HD1 LYS 20 1.109 8.986 -9.011
148 HE2 LYS 20 HE2 LYS 20 -1.728 8.720 -8.026
149 HE3 LYS 20 HE1 LYS 20 -1.272 9.313 -9.622
150 HZ1 LYS 20 HZ1 LYS 20 -0.178 7.159 -10.017
151 HZ2 LYS 20 HZ2 LYS 20 -1.843 7.002 -9.750
152 HZ3 LYS 20 HZ3 LYS 20 -0.748 6.600 -8.525
153 H LYS 21 HN LYS 21 1.000 9.844 -3.292
154 HA LYS 21 HA LYS 21 3.778 9.521 -3.806
155 HB2 LYS 21 HB2 LYS 21 2.207 11.313 -1.994
156 HB3 LYS 21 HB1 LYS 21 3.961 11.248 -1.888
157 HG2 LYS 21 HG2 LYS 21 2.314 12.028 -4.279
158 HG3 LYS 21 HG1 LYS 21 3.376 13.061 -3.320
159 HD2 LYS 21 HD2 LYS 21 4.215 10.726 -5.039
160 HD3 LYS 21 HD1 LYS 21 4.468 12.434 -5.398
161 HE2 LYS 21 HE2 LYS 21 5.562 11.116 -2.927
162 HE3 LYS 21 HE1 LYS 21 6.450 11.149 -4.450
163 HZ1 LYS 21 HZ1 LYS 21 6.537 13.507 -4.379
164 HZ2 LYS 21 HZ2 LYS 21 6.999 12.966 -2.840
165 HZ3 LYS 21 HZ3 LYS 21 5.445 13.590 -3.081
166 H ALA 22 HN ALA 22 1.708 8.654 -1.090
167 HA ALA 22 HA ALA 22 3.697 7.695 0.640
168 HB1 ALA 22 HB1 ALA 22 0.981 6.438 0.311
169 HB2 ALA 22 HB2 ALA 22 1.214 7.986 1.119
170 HB3 ALA 22 HB3 ALA 22 1.971 6.527 1.767
171 H TYR 23 HN TYR 23 1.942 6.179 -2.003
172 HA TYR 23 HA TYR 23 3.170 3.649 -1.864
173 HB2 TYR 23 HB2 TYR 23 1.352 3.457 -3.182
174 HB3 TYR 23 HB1 TYR 23 1.443 5.124 -3.730
175 HD1 TYR 23 HD2 TYR 23 2.726 1.699 -4.334
176 HD2 TYR 23 HD1 TYR 23 2.394 5.668 -5.823
177 HE1 TYR 23 HE2 TYR 23 3.501 0.932 -6.536
178 HE2 TYR 23 HE1 TYR 23 3.161 4.913 -8.028
179 HH TYR 23 HH TYR 23 3.297 1.678 -8.922
180 H ARG 24 HN ARG 24 3.975 6.556 -3.775
181 HA ARG 24 HA ARG 24 6.149 5.482 -5.128
182 HB2 ARG 24 HB2 ARG 24 4.895 8.012 -4.795
183 HB3 ARG 24 HB1 ARG 24 6.624 8.242 -4.600
184 HG2 ARG 24 HG2 ARG 24 6.948 7.003 -6.741
185 HG3 ARG 24 HG1 ARG 24 5.192 6.997 -6.915
186 HD2 ARG 24 HD2 ARG 24 5.087 9.281 -7.260
187 HD3 ARG 24 HD1 ARG 24 6.640 9.563 -6.472
188 HE ARG 24 HE ARG 24 7.643 8.444 -8.479
189 HH11 ARG 24 HH11 ARG 24 4.585 10.152 -8.696
190 HH12 ARG 24 HH12 ARG 24 4.718 10.412 -10.411
191 HH21 ARG 24 HH21 ARG 24 7.809 8.791 -10.726
192 HH22 ARG 24 HH22 ARG 24 6.554 9.673 -11.547
193 H ARG 25 HN ARG 25 6.008 7.132 -1.992
194 HA ARG 25 HA ARG 25 8.785 6.970 -1.451
195 HB2 ARG 25 HB2 ARG 25 7.574 8.492 -0.140
196 HB3 ARG 25 HB1 ARG 25 6.328 7.313 0.241
197 HG2 ARG 25 HG2 ARG 25 7.901 6.096 1.645
198 HG3 ARG 25 HG1 ARG 25 9.153 7.286 1.277
199 HD2 ARG 25 HD2 ARG 25 7.886 9.027 2.342
200 HD3 ARG 25 HD1 ARG 25 6.513 7.945 2.570
201 HE ARG 25 HE ARG 25 8.956 7.044 3.812
202 HH11 ARG 25 HH11 ARG 25 6.109 9.033 4.195
203 HH12 ARG 25 HH12 ARG 25 6.047 8.848 5.918
204 HH21 ARG 25 HH21 ARG 25 8.904 6.804 6.078
205 HH22 ARG 25 HH22 ARG 25 7.686 7.630 7.004
206 H LYS 26 HN LYS 26 6.062 4.877 -0.571
207 HA LYS 26 HA LYS 26 7.504 2.915 0.802
208 HB2 LYS 26 HB2 LYS 26 5.057 3.047 0.838
209 HB3 LYS 26 HB1 LYS 26 4.995 2.627 -0.868
210 HG2 LYS 26 HG2 LYS 26 4.434 0.726 0.548
211 HG3 LYS 26 HG1 LYS 26 5.903 0.431 -0.387
212 HD2 LYS 26 HD2 LYS 26 6.279 -0.362 1.836
213 HD3 LYS 26 HD1 LYS 26 7.215 1.108 1.604
214 HE2 LYS 26 HE2 LYS 26 6.236 1.238 3.769
215 HE3 LYS 26 HE1 LYS 26 5.368 2.369 2.733
216 HZ1 LYS 26 HZ1 LYS 26 3.852 1.110 4.109
217 HZ2 LYS 26 HZ2 LYS 26 4.443 -0.355 3.494
218 HZ3 LYS 26 HZ3 LYS 26 3.612 0.718 2.483
219 H ALA 27 HN ALA 27 6.823 3.301 -2.639
220 HA ALA 27 HA ALA 27 8.021 0.965 -3.596
221 HB1 ALA 27 HB1 ALA 27 8.102 3.610 -5.019
222 HB2 ALA 27 HB2 ALA 27 6.631 2.653 -4.879
223 HB3 ALA 27 HB3 ALA 27 8.034 1.992 -5.722
224 H LEU 28 HN LEU 28 9.395 4.141 -2.895
225 HA LEU 28 HA LEU 28 12.003 3.693 -3.781
226 HB2 LEU 28 HB2 LEU 28 10.609 5.715 -2.430
227 HB3 LEU 28 HB1 LEU 28 11.941 5.287 -1.373
228 HG LEU 28 HG LEU 28 13.528 5.712 -3.204
229 HD11 LEU 28 HD11 LEU 28 12.620 6.946 -5.206
230 HD12 LEU 28 HD12 LEU 28 11.016 6.395 -4.710
231 HD13 LEU 28 HD13 LEU 28 12.261 5.222 -5.138
232 HD21 LEU 28 HD21 LEU 28 13.320 8.129 -3.219
233 HD22 LEU 28 HD22 LEU 28 12.931 7.492 -1.621
234 HD23 LEU 28 HD23 LEU 28 11.637 8.007 -2.703
235 H GLN 29 HN GLN 29 10.390 2.825 -0.810
236 HA GLN 29 HA GLN 29 12.607 2.249 0.792
237 HB2 GLN 29 HB2 GLN 29 9.807 1.140 0.782
238 HB3 GLN 29 HB1 GLN 29 10.987 0.746 2.024
239 HG2 GLN 29 HG2 GLN 29 10.231 3.577 1.389
240 HG3 GLN 29 HG1 GLN 29 9.314 2.588 2.525
241 HE21 GLN 29 HE21 GLN 29 12.322 4.223 1.926
242 HE22 GLN 29 HE22 GLN 29 12.922 4.127 3.546
243 H TRP 30 HN TRP 30 11.003 0.259 -1.657
244 HA TRP 30 HA TRP 30 12.859 -1.913 -0.967
245 HB2 TRP 30 HB2 TRP 30 11.375 -3.392 -2.305
246 HB3 TRP 30 HB1 TRP 30 10.590 -2.675 -0.904
247 HD1 TRP 30 HD1 TRP 30 8.498 -1.170 -1.315
248 HE1 TRP 30 HE1 TRP 30 7.089 -0.607 -3.388
249 HE3 TRP 30 HE3 TRP 30 11.610 -2.988 -4.941
250 HZ2 TRP 30 HZ2 TRP 30 7.265 -0.889 -6.183
251 HZ3 TRP 30 HZ3 TRP 30 10.908 -2.806 -7.288
252 HH2 TRP 30 HH2 TRP 30 8.780 -1.777 -7.896
253 H HIS 31 HN HIS 31 12.885 0.625 -2.903
254 HA HIS 31 HA HIS 31 13.715 -0.550 -5.382
255 HB2 HIS 31 HB2 HIS 31 13.734 2.203 -4.218
256 HB3 HIS 31 HB1 HIS 31 14.783 1.871 -5.591
257 HD1 HIS 31 HD1 HIS 31 13.071 3.781 -6.587
258 HD2 HIS 31 HD2 HIS 31 11.601 -0.081 -6.105
259 HE1 HIS 31 HE1 HIS 31 11.007 3.657 -8.018
260 HE2 HIS 31 HE2 HIS 31 10.278 1.244 -7.893
261 HA PRO 32 HA PRO 32 17.779 -1.899 -4.520
262 HB2 PRO 32 HB2 PRO 32 19.087 -0.961 -6.779
263 HB3 PRO 32 HB1 PRO 32 18.146 -2.455 -6.694
264 HG2 PRO 32 HG2 PRO 32 17.318 0.250 -7.677
265 HG3 PRO 32 HG1 PRO 32 16.983 -1.346 -8.375
266 HD2 PRO 32 HD2 PRO 32 15.113 -0.072 -6.986
267 HD3 PRO 32 HD1 PRO 32 15.337 -1.825 -6.789
268 H ASP 33 HN ASP 33 17.298 1.420 -5.415
269 HA ASP 33 HA ASP 33 19.856 2.389 -4.678
270 HB2 ASP 33 HB2 ASP 33 18.316 3.553 -6.224
271 HB3 ASP 33 HB1 ASP 33 17.219 3.859 -4.883
272 H LYS 34 HN LYS 34 17.000 1.581 -2.864
273 HA LYS 34 HA LYS 34 18.206 2.825 -0.485
274 HB2 LYS 34 HB2 LYS 34 15.430 2.832 -1.463
275 HB3 LYS 34 HB1 LYS 34 15.612 2.501 0.255
276 HG2 LYS 34 HG2 LYS 34 15.278 4.841 -0.047
277 HG3 LYS 34 HG1 LYS 34 16.944 4.580 0.464
278 HD2 LYS 34 HD2 LYS 34 17.588 4.694 -1.964
279 HD3 LYS 34 HD1 LYS 34 15.937 5.219 -2.302
280 HE2 LYS 34 HE2 LYS 34 16.250 7.119 -0.772
281 HE3 LYS 34 HE1 LYS 34 17.911 6.603 -0.486
282 HZ1 LYS 34 HZ1 LYS 34 16.718 7.749 -2.924
283 HZ2 LYS 34 HZ2 LYS 34 18.102 6.780 -3.034
284 HZ3 LYS 34 HZ3 LYS 34 18.141 8.200 -2.115
285 H ASN 35 HN ASN 35 17.314 -0.153 -1.879
286 HA ASN 35 HA ASN 35 17.287 -1.408 0.781
287 HB2 ASN 35 HB2 ASN 35 16.020 -3.125 -0.040
288 HB3 ASN 35 HB1 ASN 35 15.547 -1.908 -1.213
289 HD21 ASN 35 HD21 ASN 35 17.203 -4.868 -0.666
290 HD22 ASN 35 HD22 ASN 35 17.570 -5.215 -2.317
291 HA PRO 36 HA PRO 36 21.413 -2.734 -0.158
292 HB2 PRO 36 HB2 PRO 36 22.023 -3.574 2.310
293 HB3 PRO 36 HB1 PRO 36 21.749 -1.866 1.955
294 HG2 PRO 36 HG2 PRO 36 20.045 -3.781 3.416
295 HG3 PRO 36 HG1 PRO 36 20.099 -2.016 3.527
296 HD2 PRO 36 HD2 PRO 36 18.258 -3.658 2.041
297 HD3 PRO 36 HD1 PRO 36 18.283 -1.888 2.182
298 H ASP 37 HN ASP 37 21.481 -5.027 2.249
299 HA ASP 37 HA ASP 37 21.654 -7.183 0.314
300 HB2 ASP 37 HB2 ASP 37 23.344 -6.923 2.111
301 HB3 ASP 37 HB1 ASP 37 22.089 -7.219 3.303
302 H ASN 38 HN ASN 38 19.237 -5.791 2.039
303 HA ASN 38 HA ASN 38 17.893 -8.240 2.854
304 HB2 ASN 38 HB2 ASN 38 17.059 -5.342 3.147
305 HB3 ASN 38 HB1 ASN 38 16.204 -6.717 3.832
306 HD21 ASN 38 HD21 ASN 38 18.673 -8.119 4.578
307 HD22 ASN 38 HD22 ASN 38 19.286 -7.265 5.951
308 H LYS 39 HN LYS 39 17.009 -9.283 1.202
309 HA LYS 39 HA LYS 39 15.693 -7.755 -0.922
310 HB2 LYS 39 HB2 LYS 39 16.293 -10.714 -0.856
311 HB3 LYS 39 HB1 LYS 39 15.829 -9.756 -2.256
312 HG2 LYS 39 HG2 LYS 39 18.415 -9.554 -0.724
313 HG3 LYS 39 HG1 LYS 39 18.191 -10.251 -2.329
314 HD2 LYS 39 HD2 LYS 39 17.610 -8.105 -3.241
315 HD3 LYS 39 HD1 LYS 39 17.606 -7.375 -1.634
316 HE2 LYS 39 HE2 LYS 39 19.652 -6.788 -2.748
317 HE3 LYS 39 HE1 LYS 39 20.019 -7.910 -1.438
318 HZ1 LYS 39 HZ1 LYS 39 19.977 -9.707 -3.172
319 HZ2 LYS 39 HZ2 LYS 39 21.258 -8.608 -3.298
320 HZ3 LYS 39 HZ3 LYS 39 19.930 -8.481 -4.346
321 H GLU 40 HN GLU 40 15.123 -10.019 1.641
322 HA GLU 40 HA GLU 40 12.530 -10.877 1.017
323 HB2 GLU 40 HB2 GLU 40 13.840 -11.853 2.834
324 HB3 GLU 40 HB1 GLU 40 13.779 -10.338 3.719
325 HG2 GLU 40 HG2 GLU 40 11.284 -10.578 3.778
326 HG3 GLU 40 HG1 GLU 40 11.494 -12.199 3.118
327 H PHE 41 HN PHE 41 13.666 -8.067 2.822
328 HA PHE 41 HA PHE 41 11.119 -7.051 3.460
329 HB2 PHE 41 HB2 PHE 41 13.788 -5.661 3.245
330 HB3 PHE 41 HB1 PHE 41 12.324 -4.898 3.859
331 HD1 PHE 41 HD2 PHE 41 11.233 -5.830 5.906
332 HD2 PHE 41 HD1 PHE 41 15.096 -7.052 4.615
333 HE1 PHE 41 HE2 PHE 41 11.693 -6.730 8.149
334 HE2 PHE 41 HE1 PHE 41 15.563 -7.959 6.853
335 HZ PHE 41 HZ PHE 41 13.860 -7.797 8.624
336 H ALA 42 HN ALA 42 13.222 -6.591 0.678
337 HA ALA 42 HA ALA 42 11.825 -4.432 -0.473
338 HB1 ALA 42 HB1 ALA 42 13.658 -6.509 -1.642
339 HB2 ALA 42 HB2 ALA 42 13.986 -4.803 -1.309
340 HB3 ALA 42 HB3 ALA 42 12.909 -5.253 -2.630
341 H GLU 43 HN GLU 43 11.486 -7.960 -0.940
342 HA GLU 43 HA GLU 43 9.420 -7.660 -2.882
343 HB2 GLU 43 HB2 GLU 43 9.021 -10.063 -2.610
344 HB3 GLU 43 HB1 GLU 43 10.727 -9.707 -2.823
345 HG2 GLU 43 HG2 GLU 43 11.125 -10.009 -0.471
346 HG3 GLU 43 HG1 GLU 43 9.402 -10.255 -0.181
347 H LYS 44 HN LYS 44 9.437 -8.105 0.627
348 HA LYS 44 HA LYS 44 6.655 -8.432 0.949
349 HB2 LYS 44 HB2 LYS 44 8.713 -7.271 2.824
350 HB3 LYS 44 HB1 LYS 44 7.056 -7.626 3.284
351 HG2 LYS 44 HG2 LYS 44 7.450 -9.998 2.716
352 HG3 LYS 44 HG1 LYS 44 9.138 -9.600 2.381
353 HD2 LYS 44 HD2 LYS 44 8.967 -10.478 4.615
354 HD3 LYS 44 HD1 LYS 44 9.351 -8.756 4.701
355 HE2 LYS 44 HE2 LYS 44 6.954 -8.279 5.061
356 HE3 LYS 44 HE1 LYS 44 6.632 -10.011 5.062
357 HZ1 LYS 44 HZ1 LYS 44 8.165 -8.438 7.046
358 HZ2 LYS 44 HZ2 LYS 44 8.279 -10.126 6.953
359 HZ3 LYS 44 HZ3 LYS 44 6.788 -9.395 7.293
360 H LYS 45 HN LYS 45 8.689 -5.515 1.013
361 HA LYS 45 HA LYS 45 6.550 -3.732 1.539
362 HB2 LYS 45 HB2 LYS 45 9.269 -3.234 0.311
363 HB3 LYS 45 HB1 LYS 45 8.134 -1.959 0.739
364 HG2 LYS 45 HG2 LYS 45 9.557 -3.864 2.573
365 HG3 LYS 45 HG1 LYS 45 9.666 -2.103 2.526
366 HD2 LYS 45 HD2 LYS 45 7.316 -1.968 3.223
367 HD3 LYS 45 HD1 LYS 45 7.255 -3.722 3.284
368 HE2 LYS 45 HE2 LYS 45 7.542 -2.912 5.505
369 HE3 LYS 45 HE1 LYS 45 9.038 -3.679 4.989
370 HZ1 LYS 45 HZ1 LYS 45 9.237 -1.495 6.196
371 HZ2 LYS 45 HZ2 LYS 45 8.628 -0.753 4.801
372 HZ3 LYS 45 HZ3 LYS 45 10.090 -1.616 4.738
373 H PHE 46 HN PHE 46 7.983 -5.029 -1.374
374 HA PHE 46 HA PHE 46 6.688 -3.431 -3.271
375 HB2 PHE 46 HB2 PHE 46 8.472 -4.863 -3.982
376 HB3 PHE 46 HB1 PHE 46 7.636 -6.298 -3.396
377 HD1 PHE 46 HD1 PHE 46 7.263 -3.529 -5.857
378 HD2 PHE 46 HD2 PHE 46 6.407 -7.578 -4.874
379 HE1 PHE 46 HE1 PHE 46 6.278 -3.857 -8.085
380 HE2 PHE 46 HE2 PHE 46 5.421 -7.913 -7.102
381 HZ PHE 46 HZ PHE 46 5.354 -6.053 -8.710
382 H LYS 47 HN LYS 47 5.657 -6.562 -1.863
383 HA LYS 47 HA LYS 47 3.256 -6.599 -3.378
384 HB2 LYS 47 HB2 LYS 47 2.566 -8.489 -2.032
385 HB3 LYS 47 HB1 LYS 47 4.243 -8.673 -2.517
386 HG2 LYS 47 HG2 LYS 47 5.008 -8.107 -0.328
387 HG3 LYS 47 HG1 LYS 47 3.379 -7.664 0.179
388 HD2 LYS 47 HD2 LYS 47 3.959 -10.428 -0.817
389 HD3 LYS 47 HD1 LYS 47 4.344 -9.984 0.844
390 HE2 LYS 47 HE2 LYS 47 2.157 -11.035 0.737
391 HE3 LYS 47 HE1 LYS 47 2.005 -9.348 1.212
392 HZ1 LYS 47 HZ1 LYS 47 1.038 -8.778 -0.784
393 HZ2 LYS 47 HZ2 LYS 47 0.415 -10.336 -0.556
394 HZ3 LYS 47 HZ3 LYS 47 1.705 -10.092 -1.624
395 H GLU 48 HN GLU 48 4.004 -5.545 -0.058
396 HA GLU 48 HA GLU 48 1.301 -5.247 0.695
397 HB2 GLU 48 HB2 GLU 48 2.094 -3.968 2.604
398 HB3 GLU 48 HB1 GLU 48 3.079 -5.402 2.371
399 HG2 GLU 48 HG2 GLU 48 4.878 -4.134 1.511
400 HG3 GLU 48 HG1 GLU 48 3.877 -2.689 1.369
401 H VAL 49 HN VAL 49 3.588 -2.998 -0.824
402 HA VAL 49 HA VAL 49 1.784 -0.797 -0.612
403 HB VAL 49 HB VAL 49 4.205 -0.430 -0.911
404 HG11 VAL 49 HG11 VAL 49 3.760 -1.299 -3.762
405 HG12 VAL 49 HG12 VAL 49 4.657 -2.209 -2.546
406 HG13 VAL 49 HG13 VAL 49 5.249 -0.637 -3.086
407 HG21 VAL 49 HG21 VAL 49 4.006 1.469 -2.345
408 HG22 VAL 49 HG22 VAL 49 2.493 1.280 -1.455
409 HG23 VAL 49 HG23 VAL 49 2.593 0.779 -3.141
410 H ALA 50 HN ALA 50 2.417 -3.239 -3.082
411 HA ALA 50 HA ALA 50 0.939 -2.015 -5.141
412 HB1 ALA 50 HB1 ALA 50 1.348 -4.969 -4.724
413 HB2 ALA 50 HB2 ALA 50 2.538 -3.888 -5.444
414 HB3 ALA 50 HB3 ALA 50 0.987 -4.145 -6.242
415 H GLU 51 HN GLU 51 0.007 -4.397 -2.684
416 HA GLU 51 HA GLU 51 -2.676 -4.628 -3.617
417 HB2 GLU 51 HB2 GLU 51 -3.061 -5.850 -1.493
418 HB3 GLU 51 HB1 GLU 51 -1.669 -6.450 -2.384
419 HG2 GLU 51 HG2 GLU 51 -0.230 -5.035 -0.898
420 HG3 GLU 51 HG1 GLU 51 -1.665 -4.713 0.067
421 H ALA 52 HN ALA 52 -1.104 -2.761 -1.078
422 HA ALA 52 HA ALA 52 -3.550 -1.880 0.094
423 HB1 ALA 52 HB1 ALA 52 -1.391 -2.185 1.295
424 HB2 ALA 52 HB2 ALA 52 -2.196 -0.641 1.594
425 HB3 ALA 52 HB3 ALA 52 -0.813 -0.715 0.502
426 H TYR 53 HN TYR 53 -1.151 -0.367 -2.051
427 HA TYR 53 HA TYR 53 -2.502 2.144 -2.060
428 HB2 TYR 53 HB2 TYR 53 -0.308 2.454 -2.637
429 HB3 TYR 53 HB1 TYR 53 -0.198 0.958 -3.551
430 HD1 TYR 53 HD2 TYR 53 -1.323 4.479 -3.650
431 HD2 TYR 53 HD1 TYR 53 -0.621 0.946 -5.914
432 HE1 TYR 53 HE2 TYR 53 -1.539 5.775 -5.729
433 HE2 TYR 53 HE1 TYR 53 -0.837 2.231 -7.998
434 HH TYR 53 HH TYR 53 -1.937 4.347 -8.755
435 H GLU 54 HN GLU 54 -2.644 -0.757 -4.074
436 HA GLU 54 HA GLU 54 -4.271 0.353 -6.095
437 HB2 GLU 54 HB2 GLU 54 -3.178 -1.789 -6.434
438 HB3 GLU 54 HB1 GLU 54 -4.105 -2.505 -5.123
439 HG2 GLU 54 HG2 GLU 54 -6.155 -2.224 -6.375
440 HG3 GLU 54 HG1 GLU 54 -5.279 -1.405 -7.665
441 H VAL 55 HN VAL 55 -5.149 -1.420 -3.120
442 HA VAL 55 HA VAL 55 -7.907 -1.421 -3.647
443 HB VAL 55 HB VAL 55 -6.933 -2.969 -2.033
444 HG11 VAL 55 HG11 VAL 55 -6.318 -2.243 0.226
445 HG12 VAL 55 HG12 VAL 55 -6.518 -0.562 -0.269
446 HG13 VAL 55 HG13 VAL 55 -5.259 -1.554 -1.005
447 HG21 VAL 55 HG21 VAL 55 -8.623 -2.787 -0.265
448 HG22 VAL 55 HG22 VAL 55 -9.307 -2.514 -1.866
449 HG23 VAL 55 HG23 VAL 55 -8.994 -1.147 -0.798
450 H LEU 56 HN LEU 56 -5.895 0.887 -1.848
451 HA LEU 56 HA LEU 56 -8.160 2.406 -1.009
452 HB2 LEU 56 HB2 LEU 56 -6.040 2.312 0.265
453 HB3 LEU 56 HB1 LEU 56 -5.253 3.218 -1.016
454 HG LEU 56 HG LEU 56 -6.623 5.160 -0.545
455 HD11 LEU 56 HD11 LEU 56 -7.960 3.457 1.552
456 HD12 LEU 56 HD12 LEU 56 -8.698 4.039 0.059
457 HD13 LEU 56 HD13 LEU 56 -8.219 5.186 1.309
458 HD21 LEU 56 HD21 LEU 56 -4.585 4.801 0.783
459 HD22 LEU 56 HD22 LEU 56 -5.565 4.017 2.020
460 HD23 LEU 56 HD23 LEU 56 -5.816 5.720 1.648
461 H SER 57 HN SER 57 -6.094 2.504 -3.813
462 HA SER 57 HA SER 57 -7.038 5.136 -4.584
463 HB2 SER 57 HB2 SER 57 -5.330 3.155 -6.103
464 HB3 SER 57 HB1 SER 57 -5.644 4.822 -6.582
465 HG SER 57 HG SER 57 -4.169 3.857 -4.375
466 H ASP 58 HN ASP 58 -8.038 1.886 -4.958
467 HA ASP 58 HA ASP 58 -9.590 2.554 -7.366
468 HB2 ASP 58 HB2 ASP 58 -8.284 0.557 -7.689
469 HB3 ASP 58 HB1 ASP 58 -8.887 -0.137 -6.186
470 H LYS 59 HN LYS 59 -11.651 2.811 -7.282
471 HA LYS 59 HA LYS 59 -12.942 3.028 -4.750
472 HB2 LYS 59 HB2 LYS 59 -14.021 3.319 -7.568
473 HB3 LYS 59 HB1 LYS 59 -14.941 3.670 -6.113
474 HG2 LYS 59 HG2 LYS 59 -14.159 5.741 -6.953
475 HG3 LYS 59 HG1 LYS 59 -13.187 5.367 -5.529
476 HD2 LYS 59 HD2 LYS 59 -11.482 4.385 -7.124
477 HD3 LYS 59 HD1 LYS 59 -12.405 5.133 -8.425
478 HE2 LYS 59 HE2 LYS 59 -12.021 7.319 -7.532
479 HE3 LYS 59 HE1 LYS 59 -11.291 6.653 -6.072
480 HZ1 LYS 59 HZ1 LYS 59 -9.498 5.752 -7.434
481 HZ2 LYS 59 HZ2 LYS 59 -9.592 7.437 -7.589
482 HZ3 LYS 59 HZ3 LYS 59 -10.187 6.438 -8.827
483 H HIS 60 HN HIS 60 -12.807 0.772 -7.339
484 HA HIS 60 HA HIS 60 -15.102 -0.761 -6.587
485 HB2 HIS 60 HB2 HIS 60 -12.726 -1.527 -8.288
486 HB3 HIS 60 HB1 HIS 60 -14.193 -2.486 -8.113
487 HD1 HIS 60 HD1 HIS 60 -16.440 -0.719 -8.588
488 HD2 HIS 60 HD2 HIS 60 -12.840 -0.142 -10.586
489 HE1 HIS 60 HE1 HIS 60 -17.011 0.622 -10.639
490 HE2 HIS 60 HE2 HIS 60 -14.782 1.166 -11.681
491 H LYS 61 HN LYS 61 -11.617 -1.164 -6.022
492 HA LYS 61 HA LYS 61 -11.836 -3.470 -4.405
493 HB2 LYS 61 HB2 LYS 61 -9.764 -1.814 -5.327
494 HB3 LYS 61 HB1 LYS 61 -9.669 -1.742 -3.572
495 HG2 LYS 61 HG2 LYS 61 -8.284 -3.523 -4.195
496 HG3 LYS 61 HG1 LYS 61 -9.763 -4.275 -3.607
497 HD2 LYS 61 HD2 LYS 61 -9.154 -5.424 -5.591
498 HD3 LYS 61 HD1 LYS 61 -10.527 -4.392 -6.001
499 HE2 LYS 61 HE2 LYS 61 -8.939 -2.703 -6.869
500 HE3 LYS 61 HE1 LYS 61 -7.617 -3.824 -6.546
501 HZ1 LYS 61 HZ1 LYS 61 -8.191 -4.012 -8.823
502 HZ2 LYS 61 HZ2 LYS 61 -9.842 -4.168 -8.474
503 HZ3 LYS 61 HZ3 LYS 61 -8.769 -5.415 -8.059
504 H ARG 62 HN ARG 62 -12.042 -0.031 -3.738
505 HA ARG 62 HA ARG 62 -12.273 -0.123 -0.960
506 HB2 ARG 62 HB2 ARG 62 -13.254 1.743 -3.077
507 HB3 ARG 62 HB1 ARG 62 -13.854 1.935 -1.435
508 HG2 ARG 62 HG2 ARG 62 -10.920 1.836 -2.078
509 HG3 ARG 62 HG1 ARG 62 -11.851 3.337 -2.079
510 HD2 ARG 62 HD2 ARG 62 -11.615 1.446 0.260
511 HD3 ARG 62 HD1 ARG 62 -10.684 2.931 0.064
512 HE ARG 62 HE ARG 62 -12.938 4.077 0.031
513 HH11 ARG 62 HH11 ARG 62 -12.422 1.054 1.733
514 HH12 ARG 62 HH12 ARG 62 -13.693 1.338 2.884
515 HH21 ARG 62 HH21 ARG 62 -14.609 4.449 1.563
516 HH22 ARG 62 HH22 ARG 62 -14.921 3.258 2.792
517 H GLU 63 HN GLU 63 -14.733 -0.572 -3.483
518 HA GLU 63 HA GLU 63 -16.967 -0.778 -1.798
519 HB2 GLU 63 HB2 GLU 63 -16.441 -2.162 -4.436
520 HB3 GLU 63 HB1 GLU 63 -18.012 -2.041 -3.657
521 HG2 GLU 63 HG2 GLU 63 -18.019 0.343 -3.919
522 HG3 GLU 63 HG1 GLU 63 -16.371 0.320 -4.541
523 H ILE 64 HN ILE 64 -14.695 -3.245 -2.945
524 HA ILE 64 HA ILE 64 -16.026 -5.433 -1.735
525 HB ILE 64 HB ILE 64 -13.298 -5.042 -2.905
526 HG12 ILE 64 HG12 ILE 64 -14.038 -6.957 -4.312
527 HG13 ILE 64 HG11 ILE 64 -15.558 -6.987 -3.431
528 HG21 ILE 64 HG21 ILE 64 -14.109 -7.556 -1.446
529 HG22 ILE 64 HG22 ILE 64 -12.943 -6.378 -0.848
530 HG23 ILE 64 HG23 ILE 64 -12.604 -7.281 -2.326
531 HD11 ILE 64 HD11 ILE 64 -15.777 -5.887 -5.587
532 HD12 ILE 64 HD12 ILE 64 -14.552 -4.709 -5.116
533 HD13 ILE 64 HD13 ILE 64 -16.094 -4.767 -4.263
534 H TYR 65 HN TYR 65 -13.302 -3.408 -0.681
535 HA TYR 65 HA TYR 65 -12.837 -4.778 1.754
536 HB2 TYR 65 HB2 TYR 65 -11.174 -3.280 0.749
537 HB3 TYR 65 HB1 TYR 65 -12.244 -1.908 1.000
538 HD1 TYR 65 HD1 TYR 65 -10.225 -4.469 2.757
539 HD2 TYR 65 HD2 TYR 65 -12.294 -0.765 3.073
540 HE1 TYR 65 HE1 TYR 65 -9.250 -4.119 4.984
541 HE2 TYR 65 HE2 TYR 65 -11.322 -0.406 5.302
542 HH TYR 65 HH TYR 65 -8.749 -2.228 6.498
543 H ASP 66 HN ASP 66 -14.966 -2.185 0.813
544 HA ASP 66 HA ASP 66 -15.682 -1.242 3.359
545 HB2 ASP 66 HB2 ASP 66 -16.100 -0.032 1.251
546 HB3 ASP 66 HB1 ASP 66 -17.299 -1.236 0.803
547 H ARG 67 HN ARG 67 -17.196 -3.684 1.265
548 HA ARG 67 HA ARG 67 -19.260 -4.130 3.252
549 HB2 ARG 67 HB2 ARG 67 -20.296 -5.551 1.615
550 HB3 ARG 67 HB1 ARG 67 -19.772 -4.063 0.839
551 HG2 ARG 67 HG2 ARG 67 -17.632 -5.479 0.293
552 HG3 ARG 67 HG1 ARG 67 -18.746 -6.831 0.518
553 HD2 ARG 67 HD2 ARG 67 -20.294 -5.677 -1.093
554 HD3 ARG 67 HD1 ARG 67 -18.974 -4.547 -1.416
555 HE ARG 67 HE ARG 67 -17.992 -7.144 -1.749
556 HH11 ARG 67 HH11 ARG 67 -20.294 -4.983 -3.274
557 HH12 ARG 67 HH12 ARG 67 -20.126 -5.706 -4.840
558 HH21 ARG 67 HH21 ARG 67 -17.766 -8.083 -3.801
559 HH22 ARG 67 HH22 ARG 67 -18.698 -7.485 -5.140
560 H TYR 68 HN TYR 68 -16.395 -5.836 2.063
561 HA TYR 68 HA TYR 68 -17.205 -8.191 3.611
562 HB2 TYR 68 HB2 TYR 68 -16.482 -8.227 1.097
563 HB3 TYR 68 HB1 TYR 68 -14.849 -8.178 1.757
564 HD1 TYR 68 HD2 TYR 68 -18.048 -10.051 2.171
565 HD2 TYR 68 HD1 TYR 68 -13.798 -10.197 2.225
566 HE1 TYR 68 HE2 TYR 68 -18.145 -12.481 2.511
567 HE2 TYR 68 HE1 TYR 68 -13.882 -12.633 2.575
568 HH TYR 68 HH TYR 68 -15.518 -14.310 3.503
569 H GLY 69 HN GLY 69 -15.632 -5.528 4.327
570 HA2 GLY 69 HA2 GLY 69 -13.241 -6.557 5.548
571 HA3 GLY 69 HA1 GLY 69 -13.955 -4.971 5.810
572 H ARG 70 HN ARG 70 -16.240 -5.258 6.872
573 HA ARG 70 HA ARG 70 -15.818 -6.176 9.500
574 HB2 ARG 70 HB2 ARG 70 -18.355 -5.380 8.065
575 HB3 ARG 70 HB1 ARG 70 -18.259 -5.708 9.791
576 HG2 ARG 70 HG2 ARG 70 -16.666 -3.596 8.361
577 HG3 ARG 70 HG1 ARG 70 -18.172 -3.304 9.239
578 HD2 ARG 70 HD2 ARG 70 -15.614 -4.403 10.413
579 HD3 ARG 70 HD1 ARG 70 -16.225 -2.762 10.618
580 HE ARG 70 HE ARG 70 -18.242 -3.974 11.647
581 HH11 ARG 70 HH11 ARG 70 -14.910 -5.049 11.886
582 HH12 ARG 70 HH12 ARG 70 -15.140 -5.815 13.432
583 HH21 ARG 70 HH21 ARG 70 -18.556 -5.020 13.652
584 HH22 ARG 70 HH22 ARG 70 -17.224 -5.843 14.418
585 H GLU 71 HN GLU 71 -17.426 -7.661 6.735
586 HA GLU 71 HA GLU 71 -18.691 -9.706 8.241
587 HB2 GLU 71 HB2 GLU 71 -19.396 -8.805 5.964
588 HB3 GLU 71 HB1 GLU 71 -18.090 -9.776 5.290
589 HG2 GLU 71 HG2 GLU 71 -19.083 -11.788 6.136
590 HG3 GLU 71 HG1 GLU 71 -20.322 -10.851 6.965
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -14.029 4.423 13.592
2 H2 MET 1 HT2 MET 1 -14.433 3.803 12.064
3 H3 MET 1 HT3 MET 1 -13.902 5.399 12.216
4 HA MET 1 HA MET 1 -11.728 4.731 12.834
5 HB2 MET 1 HB2 MET 1 -11.094 2.397 13.019
6 HB3 MET 1 HB1 MET 1 -12.421 2.729 14.120
7 HG2 MET 1 HG2 MET 1 -13.985 1.713 12.556
8 HG3 MET 1 HG1 MET 1 -12.668 1.404 11.431
9 HE1 MET 1 HE1 MET 1 -14.625 -0.890 12.337
10 HE2 MET 1 HE2 MET 1 -13.490 -2.196 12.674
11 HE3 MET 1 HE3 MET 1 -13.246 -1.160 11.269
12 H ALA 2 HN ALA 2 -10.089 3.900 11.295
13 HA ALA 2 HA ALA 2 -11.147 3.274 8.640
14 HB1 ALA 2 HB1 ALA 2 -10.959 5.698 8.632
15 HB2 ALA 2 HB2 ALA 2 -9.760 4.978 7.554
16 HB3 ALA 2 HB3 ALA 2 -9.273 5.585 9.137
17 H SER 3 HN SER 3 -8.230 3.896 10.522
18 HA SER 3 HA SER 3 -6.264 2.859 10.776
19 HB2 SER 3 HB2 SER 3 -6.226 0.398 10.707
20 HB3 SER 3 HB1 SER 3 -7.618 1.023 11.581
21 HG SER 3 HG SER 3 -8.407 0.761 9.096
22 H TYR 4 HN TYR 4 -7.383 3.387 7.768
23 HA TYR 4 HA TYR 4 -5.667 1.789 6.178
24 HB2 TYR 4 HB2 TYR 4 -7.009 4.415 5.496
25 HB3 TYR 4 HB1 TYR 4 -6.277 3.306 4.339
26 HD1 TYR 4 HD2 TYR 4 -7.171 0.733 4.861
27 HD2 TYR 4 HD1 TYR 4 -9.315 4.358 5.486
28 HE1 TYR 4 HE2 TYR 4 -9.292 -0.504 4.732
29 HE2 TYR 4 HE1 TYR 4 -11.440 3.124 5.367
30 HH TYR 4 HH TYR 4 -11.645 -0.201 5.600
31 H TYR 5 HN TYR 5 -5.275 4.818 7.809
32 HA TYR 5 HA TYR 5 -2.859 5.612 6.588
33 HB2 TYR 5 HB2 TYR 5 -2.587 6.738 8.985
34 HB3 TYR 5 HB1 TYR 5 -3.728 7.358 7.797
35 HD1 TYR 5 HD1 TYR 5 -3.391 5.461 10.933
36 HD2 TYR 5 HD2 TYR 5 -6.089 7.166 8.125
37 HE1 TYR 5 HE1 TYR 5 -5.237 5.153 12.527
38 HE2 TYR 5 HE2 TYR 5 -7.942 6.867 9.708
39 HH TYR 5 HH TYR 5 -7.492 6.167 12.961
40 H GLU 6 HN GLU 6 -3.639 3.384 9.167
41 HA GLU 6 HA GLU 6 -0.950 2.981 10.024
42 HB2 GLU 6 HB2 GLU 6 -3.442 1.334 10.435
43 HB3 GLU 6 HB1 GLU 6 -1.897 1.006 11.210
44 HG2 GLU 6 HG2 GLU 6 -1.967 3.041 12.417
45 HG3 GLU 6 HG1 GLU 6 -3.344 3.620 11.482
46 H ILE 7 HN ILE 7 -3.167 1.262 7.856
47 HA ILE 7 HA ILE 7 -1.372 -0.891 7.376
48 HB ILE 7 HB ILE 7 -2.907 -1.630 5.645
49 HG12 ILE 7 HG12 ILE 7 -5.129 -0.121 5.609
50 HG13 ILE 7 HG11 ILE 7 -3.940 1.154 5.847
51 HG21 ILE 7 HG21 ILE 7 -4.858 -1.985 7.014
52 HG22 ILE 7 HG22 ILE 7 -4.426 -0.618 8.042
53 HG23 ILE 7 HG23 ILE 7 -3.410 -2.061 8.019
54 HD11 ILE 7 HD11 ILE 7 -2.775 0.441 3.822
55 HD12 ILE 7 HD12 ILE 7 -4.455 0.860 3.492
56 HD13 ILE 7 HD13 ILE 7 -3.969 -0.833 3.586
57 H LEU 8 HN LEU 8 -1.926 2.196 5.803
58 HA LEU 8 HA LEU 8 -0.123 1.415 3.635
59 HB2 LEU 8 HB2 LEU 8 -2.232 2.445 2.981
60 HB3 LEU 8 HB1 LEU 8 -1.871 3.856 3.957
61 HG LEU 8 HG LEU 8 0.112 4.278 2.486
62 HD11 LEU 8 HD11 LEU 8 -1.156 2.131 0.792
63 HD12 LEU 8 HD12 LEU 8 0.391 2.011 1.628
64 HD13 LEU 8 HD13 LEU 8 0.186 3.167 0.312
65 HD21 LEU 8 HD21 LEU 8 -2.580 4.213 1.134
66 HD22 LEU 8 HD22 LEU 8 -1.203 5.205 0.654
67 HD23 LEU 8 HD23 LEU 8 -1.995 5.483 2.206
68 H ASP 9 HN ASP 9 -0.602 4.559 5.205
69 HA ASP 9 HA ASP 9 1.844 4.843 6.472
70 HB2 ASP 9 HB2 ASP 9 2.707 4.490 4.113
71 HB3 ASP 9 HB1 ASP 9 1.955 6.024 3.694
72 H VAL 10 HN VAL 10 -0.521 6.383 4.401
73 HA VAL 10 HA VAL 10 -0.451 8.758 6.136
74 HB VAL 10 HB VAL 10 -1.082 10.128 4.169
75 HG11 VAL 10 HG11 VAL 10 1.135 10.153 3.124
76 HG12 VAL 10 HG12 VAL 10 1.498 8.597 3.873
77 HG13 VAL 10 HG13 VAL 10 1.241 10.022 4.881
78 HG21 VAL 10 HG21 VAL 10 -0.768 9.213 1.910
79 HG22 VAL 10 HG22 VAL 10 -2.075 8.402 2.772
80 HG23 VAL 10 HG23 VAL 10 -0.508 7.611 2.603
81 HA PRO 11 HA PRO 11 -4.797 8.276 6.793
82 HB2 PRO 11 HB2 PRO 11 -5.535 10.921 6.912
83 HB3 PRO 11 HB1 PRO 11 -4.772 10.042 8.240
84 HG2 PRO 11 HG2 PRO 11 -3.553 11.904 6.251
85 HG3 PRO 11 HG1 PRO 11 -3.229 11.744 7.987
86 HD2 PRO 11 HD2 PRO 11 -1.589 10.712 6.113
87 HD3 PRO 11 HD1 PRO 11 -1.839 9.930 7.688
88 H ARG 12 HN ARG 12 -6.823 8.491 5.769
89 HA ARG 12 HA ARG 12 -6.532 8.426 2.923
90 HB2 ARG 12 HB2 ARG 12 -8.928 7.872 2.915
91 HB3 ARG 12 HB1 ARG 12 -7.981 6.815 3.948
92 HG2 ARG 12 HG2 ARG 12 -8.786 7.983 5.907
93 HG3 ARG 12 HG1 ARG 12 -9.640 9.149 4.892
94 HD2 ARG 12 HD2 ARG 12 -10.988 7.293 3.969
95 HD3 ARG 12 HD1 ARG 12 -10.187 6.192 5.086
96 HE ARG 12 HE ARG 12 -11.200 8.128 6.708
97 HH11 ARG 12 HH11 ARG 12 -12.600 6.144 4.180
98 HH12 ARG 12 HH12 ARG 12 -14.147 6.005 4.967
99 HH21 ARG 12 HH21 ARG 12 -13.240 7.987 7.733
100 HH22 ARG 12 HH22 ARG 12 -14.518 7.070 6.980
101 H SER 13 HN SER 13 -7.434 10.834 5.127
102 HA SER 13 HA SER 13 -9.032 12.482 3.528
103 HB2 SER 13 HB2 SER 13 -7.042 13.223 5.687
104 HB3 SER 13 HB1 SER 13 -8.237 14.325 5.001
105 HG SER 13 HG SER 13 -9.844 13.230 5.950
106 H ALA 14 HN ALA 14 -5.696 11.699 3.323
107 HA ALA 14 HA ALA 14 -4.890 13.907 1.690
108 HB1 ALA 14 HB1 ALA 14 -2.916 12.566 1.216
109 HB2 ALA 14 HB2 ALA 14 -3.686 11.145 1.923
110 HB3 ALA 14 HB3 ALA 14 -3.278 12.527 2.942
111 H SER 15 HN SER 15 -4.667 13.929 -0.579
112 HA SER 15 HA SER 15 -6.830 12.705 -1.950
113 HB2 SER 15 HB2 SER 15 -5.867 14.918 -2.569
114 HB3 SER 15 HB1 SER 15 -4.411 14.097 -3.127
115 HG SER 15 HG SER 15 -5.394 13.712 -4.936
116 H ALA 16 HN ALA 16 -6.604 11.341 -3.902
117 HA ALA 16 HA ALA 16 -5.336 8.928 -3.418
118 HB1 ALA 16 HB1 ALA 16 -7.132 9.193 -5.048
119 HB2 ALA 16 HB2 ALA 16 -5.737 8.393 -5.774
120 HB3 ALA 16 HB3 ALA 16 -6.050 10.097 -6.106
121 H ASP 17 HN ASP 17 -4.161 11.767 -5.065
122 HA ASP 17 HA ASP 17 -1.803 10.779 -6.202
123 HB2 ASP 17 HB2 ASP 17 -2.050 13.517 -5.000
124 HB3 ASP 17 HB1 ASP 17 -1.112 13.031 -6.402
125 H ASP 18 HN ASP 18 -2.505 12.039 -2.986
126 HA ASP 18 HA ASP 18 0.179 12.061 -2.067
127 HB2 ASP 18 HB2 ASP 18 -2.425 12.000 -0.531
128 HB3 ASP 18 HB1 ASP 18 -0.847 12.301 0.187
129 H ILE 19 HN ILE 19 -2.492 9.763 -1.760
130 HA ILE 19 HA ILE 19 -1.151 7.810 -0.252
131 HB ILE 19 HB ILE 19 -3.467 7.745 -2.140
132 HG12 ILE 19 HG12 ILE 19 -4.482 6.701 -0.009
133 HG13 ILE 19 HG11 ILE 19 -3.021 7.272 0.785
134 HG21 ILE 19 HG21 ILE 19 -2.244 5.679 -2.631
135 HG22 ILE 19 HG22 ILE 19 -3.783 5.367 -1.834
136 HG23 ILE 19 HG23 ILE 19 -2.280 5.260 -0.919
137 HD11 ILE 19 HD11 ILE 19 -5.279 8.805 -0.364
138 HD12 ILE 19 HD12 ILE 19 -3.673 9.523 -0.373
139 HD13 ILE 19 HD13 ILE 19 -4.411 9.033 1.155
140 H LYS 20 HN LYS 20 -1.377 8.336 -3.735
141 HA LYS 20 HA LYS 20 0.201 6.177 -4.585
142 HB2 LYS 20 HB2 LYS 20 -1.256 7.760 -5.968
143 HB3 LYS 20 HB1 LYS 20 0.099 8.880 -5.919
144 HG2 LYS 20 HG2 LYS 20 1.507 7.173 -7.003
145 HG3 LYS 20 HG1 LYS 20 0.095 6.118 -7.115
146 HD2 LYS 20 HD2 LYS 20 -1.056 7.918 -8.401
147 HD3 LYS 20 HD1 LYS 20 0.464 8.814 -8.411
148 HE2 LYS 20 HE2 LYS 20 0.304 7.650 -10.481
149 HE3 LYS 20 HE1 LYS 20 1.528 6.839 -9.507
150 HZ1 LYS 20 HZ1 LYS 20 0.098 5.237 -10.575
151 HZ2 LYS 20 HZ2 LYS 20 -1.280 5.941 -9.882
152 HZ3 LYS 20 HZ3 LYS 20 -0.140 5.169 -8.897
153 H LYS 21 HN LYS 21 1.053 9.485 -3.645
154 HA LYS 21 HA LYS 21 3.819 9.356 -4.152
155 HB2 LYS 21 HB2 LYS 21 2.174 11.015 -2.253
156 HB3 LYS 21 HB1 LYS 21 3.918 11.187 -2.364
157 HG2 LYS 21 HG2 LYS 21 2.209 11.400 -4.807
158 HG3 LYS 21 HG1 LYS 21 2.402 12.771 -3.717
159 HD2 LYS 21 HD2 LYS 21 4.046 13.066 -5.371
160 HD3 LYS 21 HD1 LYS 21 4.903 12.425 -3.973
161 HE2 LYS 21 HE2 LYS 21 4.972 10.234 -4.949
162 HE3 LYS 21 HE1 LYS 21 3.972 10.764 -6.303
163 HZ1 LYS 21 HZ1 LYS 21 5.736 12.286 -6.958
164 HZ2 LYS 21 HZ2 LYS 21 6.307 10.694 -6.911
165 HZ3 LYS 21 HZ3 LYS 21 6.697 11.766 -5.662
166 H ALA 22 HN ALA 22 1.938 8.559 -1.259
167 HA ALA 22 HA ALA 22 4.083 7.968 0.445
168 HB1 ALA 22 HB1 ALA 22 2.464 6.601 1.704
169 HB2 ALA 22 HB2 ALA 22 1.320 6.759 0.371
170 HB3 ALA 22 HB3 ALA 22 1.820 8.186 1.280
171 H TYR 23 HN TYR 23 2.238 5.895 -1.751
172 HA TYR 23 HA TYR 23 3.677 3.526 -1.307
173 HB2 TYR 23 HB2 TYR 23 1.713 3.121 -2.417
174 HB3 TYR 23 HB1 TYR 23 1.857 4.559 -3.423
175 HD1 TYR 23 HD2 TYR 23 3.196 1.113 -2.975
176 HD2 TYR 23 HD1 TYR 23 2.649 4.405 -5.612
177 HE1 TYR 23 HE2 TYR 23 3.955 -0.276 -4.857
178 HE2 TYR 23 HE1 TYR 23 3.404 3.026 -7.503
179 HH TYR 23 HH TYR 23 4.723 1.030 -7.928
180 H ARG 24 HN ARG 24 4.082 6.033 -3.820
181 HA ARG 24 HA ARG 24 6.257 4.929 -5.107
182 HB2 ARG 24 HB2 ARG 24 4.772 7.316 -5.166
183 HB3 ARG 24 HB1 ARG 24 6.462 7.785 -5.056
184 HG2 ARG 24 HG2 ARG 24 6.930 6.228 -6.944
185 HG3 ARG 24 HG1 ARG 24 5.186 5.993 -7.074
186 HD2 ARG 24 HD2 ARG 24 4.814 8.151 -7.813
187 HD3 ARG 24 HD1 ARG 24 6.333 8.742 -7.132
188 HE ARG 24 HE ARG 24 7.465 7.450 -8.913
189 HH11 ARG 24 HH11 ARG 24 4.159 8.534 -9.375
190 HH12 ARG 24 HH12 ARG 24 4.230 8.391 -11.111
191 HH21 ARG 24 HH21 ARG 24 7.540 7.218 -11.158
192 HH22 ARG 24 HH22 ARG 24 6.147 7.620 -12.124
193 H ARG 25 HN ARG 25 6.171 7.007 -2.255
194 HA ARG 25 HA ARG 25 8.930 7.429 -2.021
195 HB2 ARG 25 HB2 ARG 25 7.617 8.781 -0.644
196 HB3 ARG 25 HB1 ARG 25 6.653 7.428 -0.069
197 HG2 ARG 25 HG2 ARG 25 8.609 6.614 1.184
198 HG3 ARG 25 HG1 ARG 25 9.499 8.053 0.676
199 HD2 ARG 25 HD2 ARG 25 8.049 9.483 1.880
200 HD3 ARG 25 HD1 ARG 25 6.875 8.192 2.139
201 HE ARG 25 HE ARG 25 9.554 8.243 3.389
202 HH11 ARG 25 HH11 ARG 25 6.115 7.613 3.481
203 HH12 ARG 25 HH12 ARG 25 6.139 6.942 5.080
204 HH21 ARG 25 HH21 ARG 25 9.593 7.427 5.529
205 HH22 ARG 25 HH22 ARG 25 8.130 6.840 6.252
206 H LYS 26 HN LYS 26 6.891 4.835 -0.708
207 HA LYS 26 HA LYS 26 9.005 3.442 0.579
208 HB2 LYS 26 HB2 LYS 26 6.458 2.252 -0.526
209 HB3 LYS 26 HB1 LYS 26 7.477 1.582 0.743
210 HG2 LYS 26 HG2 LYS 26 6.937 3.481 2.175
211 HG3 LYS 26 HG1 LYS 26 5.920 4.134 0.886
212 HD2 LYS 26 HD2 LYS 26 4.448 2.239 1.018
213 HD3 LYS 26 HD1 LYS 26 5.510 1.447 2.186
214 HE2 LYS 26 HE2 LYS 26 4.147 4.093 2.654
215 HE3 LYS 26 HE1 LYS 26 3.503 2.541 3.192
216 HZ1 LYS 26 HZ1 LYS 26 5.281 2.237 4.661
217 HZ2 LYS 26 HZ2 LYS 26 4.837 3.869 4.863
218 HZ3 LYS 26 HZ3 LYS 26 6.206 3.466 3.952
219 H ALA 27 HN ALA 27 7.562 3.312 -2.589
220 HA ALA 27 HA ALA 27 8.874 1.113 -3.674
221 HB1 ALA 27 HB1 ALA 27 8.274 3.680 -5.137
222 HB2 ALA 27 HB2 ALA 27 7.088 2.425 -4.792
223 HB3 ALA 27 HB3 ALA 27 8.461 2.072 -5.839
224 H LEU 28 HN LEU 28 9.953 4.505 -3.583
225 HA LEU 28 HA LEU 28 12.533 3.932 -4.679
226 HB2 LEU 28 HB2 LEU 28 11.245 6.292 -3.414
227 HB3 LEU 28 HB1 LEU 28 12.997 6.264 -3.494
228 HG LEU 28 HG LEU 28 12.221 7.488 -5.373
229 HD11 LEU 28 HD11 LEU 28 12.962 4.703 -6.253
230 HD12 LEU 28 HD12 LEU 28 14.074 6.014 -5.859
231 HD13 LEU 28 HD13 LEU 28 13.018 6.148 -7.265
232 HD21 LEU 28 HD21 LEU 28 9.955 6.920 -5.543
233 HD22 LEU 28 HD22 LEU 28 10.313 5.210 -5.753
234 HD23 LEU 28 HD23 LEU 28 10.682 6.350 -7.049
235 H GLN 29 HN GLN 29 11.215 4.130 -1.461
236 HA GLN 29 HA GLN 29 13.581 4.230 0.041
237 HB2 GLN 29 HB2 GLN 29 11.197 4.639 0.790
238 HB3 GLN 29 HB1 GLN 29 10.989 2.899 0.825
239 HG2 GLN 29 HG2 GLN 29 12.727 2.724 2.529
240 HG3 GLN 29 HG1 GLN 29 12.931 4.477 2.491
241 HE21 GLN 29 HE21 GLN 29 12.326 4.772 4.621
242 HE22 GLN 29 HE22 GLN 29 10.698 4.554 5.169
243 H TRP 30 HN TRP 30 11.713 1.516 -1.225
244 HA TRP 30 HA TRP 30 13.836 -0.324 -0.355
245 HB2 TRP 30 HB2 TRP 30 10.904 -0.706 -0.823
246 HB3 TRP 30 HB1 TRP 30 11.998 -2.077 -0.990
247 HD1 TRP 30 HD1 TRP 30 13.518 -2.641 1.267
248 HE1 TRP 30 HE1 TRP 30 12.833 -2.520 3.742
249 HE3 TRP 30 HE3 TRP 30 9.496 0.475 0.824
250 HZ2 TRP 30 HZ2 TRP 30 10.838 -1.265 5.300
251 HZ3 TRP 30 HZ3 TRP 30 8.248 1.083 2.855
252 HH2 TRP 30 HH2 TRP 30 8.906 0.230 5.046
253 H HIS 31 HN HIS 31 13.699 1.448 -2.794
254 HA HIS 31 HA HIS 31 13.339 -0.232 -5.074
255 HB2 HIS 31 HB2 HIS 31 13.693 2.483 -4.654
256 HB3 HIS 31 HB1 HIS 31 15.220 2.005 -5.382
257 HD1 HIS 31 HD1 HIS 31 15.251 1.776 -7.875
258 HD2 HIS 31 HD2 HIS 31 11.386 1.884 -6.341
259 HE1 HIS 31 HE1 HIS 31 13.734 1.985 -9.867
260 HE2 HIS 31 HE2 HIS 31 11.428 2.276 -8.901
261 HA PRO 32 HA PRO 32 16.753 -2.850 -4.856
262 HB2 PRO 32 HB2 PRO 32 17.836 -2.719 -7.424
263 HB3 PRO 32 HB1 PRO 32 16.512 -3.767 -6.910
264 HG2 PRO 32 HG2 PRO 32 16.409 -1.133 -8.311
265 HG3 PRO 32 HG1 PRO 32 15.394 -2.566 -8.536
266 HD2 PRO 32 HD2 PRO 32 14.491 -0.441 -7.199
267 HD3 PRO 32 HD1 PRO 32 14.088 -2.090 -6.670
268 H ASP 33 HN ASP 33 17.517 0.224 -6.423
269 HA ASP 33 HA ASP 33 20.332 0.057 -6.002
270 HB2 ASP 33 HB2 ASP 33 19.244 1.546 -7.681
271 HB3 ASP 33 HB1 ASP 33 18.649 2.542 -6.357
272 H LYS 34 HN LYS 34 17.683 0.856 -3.969
273 HA LYS 34 HA LYS 34 19.452 2.175 -2.036
274 HB2 LYS 34 HB2 LYS 34 16.485 2.494 -2.449
275 HB3 LYS 34 HB1 LYS 34 17.411 3.273 -1.181
276 HG2 LYS 34 HG2 LYS 34 17.768 3.690 -4.140
277 HG3 LYS 34 HG1 LYS 34 16.977 4.799 -3.019
278 HD2 LYS 34 HD2 LYS 34 19.133 4.936 -1.759
279 HD3 LYS 34 HD1 LYS 34 19.880 3.983 -3.042
280 HE2 LYS 34 HE2 LYS 34 18.528 6.656 -3.410
281 HE3 LYS 34 HE1 LYS 34 20.269 6.398 -3.315
282 HZ1 LYS 34 HZ1 LYS 34 20.054 4.941 -5.298
283 HZ2 LYS 34 HZ2 LYS 34 19.662 6.561 -5.592
284 HZ3 LYS 34 HZ3 LYS 34 18.428 5.412 -5.430
285 H ASN 35 HN ASN 35 18.261 -0.799 -2.495
286 HA ASN 35 HA ASN 35 17.427 -1.095 0.304
287 HB2 ASN 35 HB2 ASN 35 16.237 -3.033 -0.200
288 HB3 ASN 35 HB1 ASN 35 15.942 -2.016 -1.593
289 HD21 ASN 35 HD21 ASN 35 18.569 -2.594 -2.809
290 HD22 ASN 35 HD22 ASN 35 18.446 -4.210 -3.402
291 HA PRO 36 HA PRO 36 21.268 -2.836 1.307
292 HB2 PRO 36 HB2 PRO 36 20.733 -3.958 3.665
293 HB3 PRO 36 HB1 PRO 36 20.566 -2.211 3.428
294 HG2 PRO 36 HG2 PRO 36 18.458 -4.334 3.426
295 HG3 PRO 36 HG1 PRO 36 18.433 -2.741 4.208
296 HD2 PRO 36 HD2 PRO 36 17.243 -3.286 1.788
297 HD3 PRO 36 HD1 PRO 36 17.807 -1.674 2.275
298 H ASP 37 HN ASP 37 20.477 -5.385 3.206
299 HA ASP 37 HA ASP 37 21.272 -7.236 1.080
300 HB2 ASP 37 HB2 ASP 37 21.525 -7.319 4.064
301 HB3 ASP 37 HB1 ASP 37 21.666 -8.793 3.113
302 H ASN 38 HN ASN 38 18.528 -6.294 2.722
303 HA ASN 38 HA ASN 38 17.269 -8.917 2.410
304 HB2 ASN 38 HB2 ASN 38 16.309 -6.379 3.744
305 HB3 ASN 38 HB1 ASN 38 15.290 -7.795 3.516
306 HD21 ASN 38 HD21 ASN 38 16.101 -6.555 5.986
307 HD22 ASN 38 HD22 ASN 38 16.974 -7.758 6.881
308 H LYS 39 HN LYS 39 16.886 -9.196 0.302
309 HA LYS 39 HA LYS 39 15.519 -7.099 -1.203
310 HB2 LYS 39 HB2 LYS 39 16.771 -9.726 -1.941
311 HB3 LYS 39 HB1 LYS 39 15.607 -8.974 -3.020
312 HG2 LYS 39 HG2 LYS 39 17.752 -8.361 -3.786
313 HG3 LYS 39 HG1 LYS 39 17.062 -6.935 -3.015
314 HD2 LYS 39 HD2 LYS 39 18.388 -7.304 -1.037
315 HD3 LYS 39 HD1 LYS 39 18.982 -8.837 -1.683
316 HE2 LYS 39 HE2 LYS 39 19.991 -7.583 -3.574
317 HE3 LYS 39 HE1 LYS 39 19.506 -6.082 -2.788
318 HZ1 LYS 39 HZ1 LYS 39 21.866 -6.890 -2.406
319 HZ2 LYS 39 HZ2 LYS 39 21.190 -8.081 -1.404
320 HZ3 LYS 39 HZ3 LYS 39 20.979 -6.440 -1.033
321 H GLU 40 HN GLU 40 15.014 -10.170 0.297
322 HA GLU 40 HA GLU 40 12.503 -10.854 -0.745
323 HB2 GLU 40 HB2 GLU 40 13.921 -12.346 0.636
324 HB3 GLU 40 HB1 GLU 40 13.589 -11.345 2.038
325 HG2 GLU 40 HG2 GLU 40 12.215 -13.284 2.147
326 HG3 GLU 40 HG1 GLU 40 11.188 -11.893 1.804
327 H PHE 41 HN PHE 41 13.437 -8.895 2.020
328 HA PHE 41 HA PHE 41 10.773 -8.335 2.836
329 HB2 PHE 41 HB2 PHE 41 13.417 -7.101 3.575
330 HB3 PHE 41 HB1 PHE 41 11.881 -6.573 4.258
331 HD1 PHE 41 HD1 PHE 41 14.347 -9.276 4.139
332 HD2 PHE 41 HD2 PHE 41 10.659 -7.952 5.798
333 HE1 PHE 41 HE1 PHE 41 14.460 -11.070 5.818
334 HE2 PHE 41 HE2 PHE 41 10.771 -9.741 7.479
335 HZ PHE 41 HZ PHE 41 12.668 -11.304 7.488
336 H ALA 42 HN ALA 42 13.124 -6.639 0.811
337 HA ALA 42 HA ALA 42 11.768 -4.189 0.655
338 HB1 ALA 42 HB1 ALA 42 13.652 -5.546 -1.262
339 HB2 ALA 42 HB2 ALA 42 14.013 -4.256 -0.109
340 HB3 ALA 42 HB3 ALA 42 13.015 -3.923 -1.522
341 H GLU 43 HN GLU 43 11.596 -7.069 -1.439
342 HA GLU 43 HA GLU 43 9.576 -5.930 -3.091
343 HB2 GLU 43 HB2 GLU 43 9.290 -8.224 -3.994
344 HB3 GLU 43 HB1 GLU 43 10.948 -7.648 -4.037
345 HG2 GLU 43 HG2 GLU 43 11.448 -8.980 -2.041
346 HG3 GLU 43 HG1 GLU 43 9.788 -9.580 -2.045
347 H LYS 44 HN LYS 44 9.526 -7.998 -0.238
348 HA LYS 44 HA LYS 44 6.801 -8.672 -0.283
349 HB2 LYS 44 HB2 LYS 44 8.761 -9.483 1.258
350 HB3 LYS 44 HB1 LYS 44 8.238 -8.167 2.298
351 HG2 LYS 44 HG2 LYS 44 7.197 -10.181 3.047
352 HG3 LYS 44 HG1 LYS 44 5.957 -9.163 2.307
353 HD2 LYS 44 HD2 LYS 44 6.043 -10.464 0.274
354 HD3 LYS 44 HD1 LYS 44 7.389 -11.416 0.898
355 HE2 LYS 44 HE2 LYS 44 5.379 -12.708 1.108
356 HE3 LYS 44 HE1 LYS 44 5.902 -12.221 2.718
357 HZ1 LYS 44 HZ1 LYS 44 3.491 -11.986 2.340
358 HZ2 LYS 44 HZ2 LYS 44 3.807 -10.816 1.152
359 HZ3 LYS 44 HZ3 LYS 44 4.241 -10.526 2.765
360 H LYS 45 HN LYS 45 8.494 -5.937 1.223
361 HA LYS 45 HA LYS 45 6.192 -4.720 2.350
362 HB2 LYS 45 HB2 LYS 45 8.882 -3.577 1.573
363 HB3 LYS 45 HB1 LYS 45 7.641 -2.656 2.412
364 HG2 LYS 45 HG2 LYS 45 9.063 -5.109 3.421
365 HG3 LYS 45 HG1 LYS 45 9.240 -3.454 4.007
366 HD2 LYS 45 HD2 LYS 45 6.792 -3.529 4.579
367 HD3 LYS 45 HD1 LYS 45 6.843 -5.247 4.209
368 HE2 LYS 45 HE2 LYS 45 7.082 -4.856 6.602
369 HE3 LYS 45 HE1 LYS 45 8.525 -5.591 5.918
370 HZ1 LYS 45 HZ1 LYS 45 8.241 -2.676 6.409
371 HZ2 LYS 45 HZ2 LYS 45 9.654 -3.516 5.989
372 HZ3 LYS 45 HZ3 LYS 45 8.952 -3.753 7.511
373 H PHE 46 HN PHE 46 7.865 -4.437 -0.717
374 HA PHE 46 HA PHE 46 6.450 -2.258 -1.781
375 HB2 PHE 46 HB2 PHE 46 8.546 -3.152 -2.745
376 HB3 PHE 46 HB1 PHE 46 7.678 -4.595 -3.260
377 HD1 PHE 46 HD2 PHE 46 7.901 -0.933 -3.730
378 HD2 PHE 46 HD1 PHE 46 6.497 -4.637 -5.288
379 HE1 PHE 46 HE2 PHE 46 7.345 0.175 -5.854
380 HE2 PHE 46 HE1 PHE 46 5.944 -3.533 -7.416
381 HZ PHE 46 HZ PHE 46 6.367 -1.126 -7.699
382 H LYS 47 HN LYS 47 5.781 -5.728 -1.824
383 HA LYS 47 HA LYS 47 3.536 -5.589 -3.541
384 HB2 LYS 47 HB2 LYS 47 4.318 -7.632 -1.461
385 HB3 LYS 47 HB1 LYS 47 2.967 -7.833 -2.566
386 HG2 LYS 47 HG2 LYS 47 5.840 -7.475 -3.392
387 HG3 LYS 47 HG1 LYS 47 4.984 -9.016 -3.306
388 HD2 LYS 47 HD2 LYS 47 3.431 -8.297 -5.011
389 HD3 LYS 47 HD1 LYS 47 4.154 -6.686 -5.031
390 HE2 LYS 47 HE2 LYS 47 6.239 -7.596 -5.851
391 HE3 LYS 47 HE1 LYS 47 5.598 -9.235 -5.739
392 HZ1 LYS 47 HZ1 LYS 47 4.409 -7.131 -7.465
393 HZ2 LYS 47 HZ2 LYS 47 4.067 -8.795 -7.476
394 HZ3 LYS 47 HZ3 LYS 47 5.578 -8.235 -8.008
395 H GLU 48 HN GLU 48 3.887 -5.440 -0.023
396 HA GLU 48 HA GLU 48 1.136 -5.554 0.579
397 HB2 GLU 48 HB2 GLU 48 3.407 -4.319 2.147
398 HB3 GLU 48 HB1 GLU 48 1.786 -4.571 2.777
399 HG2 GLU 48 HG2 GLU 48 2.056 -6.992 2.433
400 HG3 GLU 48 HG1 GLU 48 3.707 -6.706 1.877
401 H VAL 49 HN VAL 49 3.318 -2.785 0.067
402 HA VAL 49 HA VAL 49 1.257 -0.875 0.568
403 HB VAL 49 HB VAL 49 3.542 -0.179 0.892
404 HG11 VAL 49 HG11 VAL 49 3.985 -0.427 -2.074
405 HG12 VAL 49 HG12 VAL 49 4.504 -1.638 -0.904
406 HG13 VAL 49 HG13 VAL 49 5.170 -0.005 -0.837
407 HG21 VAL 49 HG21 VAL 49 3.505 1.933 -0.214
408 HG22 VAL 49 HG22 VAL 49 1.838 1.484 0.146
409 HG23 VAL 49 HG23 VAL 49 2.462 1.306 -1.489
410 H ALA 50 HN ALA 50 2.542 -2.407 -2.344
411 HA ALA 50 HA ALA 50 1.285 -0.765 -4.231
412 HB1 ALA 50 HB1 ALA 50 1.830 -3.708 -4.551
413 HB2 ALA 50 HB2 ALA 50 3.056 -2.453 -4.703
414 HB3 ALA 50 HB3 ALA 50 1.699 -2.495 -5.824
415 H GLU 51 HN GLU 51 0.134 -3.750 -2.662
416 HA GLU 51 HA GLU 51 -2.322 -3.769 -4.112
417 HB2 GLU 51 HB2 GLU 51 -3.019 -5.541 -2.605
418 HB3 GLU 51 HB1 GLU 51 -1.369 -5.822 -3.143
419 HG2 GLU 51 HG2 GLU 51 -0.494 -5.083 -1.046
420 HG3 GLU 51 HG1 GLU 51 -2.091 -4.568 -0.509
421 H ALA 52 HN ALA 52 -1.305 -2.552 -0.983
422 HA ALA 52 HA ALA 52 -3.928 -2.051 -0.006
423 HB1 ALA 52 HB1 ALA 52 -1.889 -2.482 1.376
424 HB2 ALA 52 HB2 ALA 52 -2.862 -1.099 1.888
425 HB3 ALA 52 HB3 ALA 52 -1.364 -0.840 0.992
426 H TYR 53 HN TYR 53 -1.458 -0.055 -1.554
427 HA TYR 53 HA TYR 53 -2.922 2.370 -1.271
428 HB2 TYR 53 HB2 TYR 53 -0.946 3.208 -1.899
429 HB3 TYR 53 HB1 TYR 53 -0.361 1.587 -2.244
430 HD1 TYR 53 HD1 TYR 53 -1.899 4.603 -3.701
431 HD2 TYR 53 HD2 TYR 53 -0.133 0.818 -4.506
432 HE1 TYR 53 HE1 TYR 53 -1.713 5.199 -6.076
433 HE2 TYR 53 HE2 TYR 53 0.058 1.406 -6.885
434 HH TYR 53 HH TYR 53 -0.999 2.927 -8.504
435 H GLU 54 HN GLU 54 -2.625 -0.081 -3.771
436 HA GLU 54 HA GLU 54 -4.120 1.197 -5.764
437 HB2 GLU 54 HB2 GLU 54 -2.691 -0.723 -6.200
438 HB3 GLU 54 HB1 GLU 54 -3.714 -1.746 -5.206
439 HG2 GLU 54 HG2 GLU 54 -5.024 -0.379 -7.467
440 HG3 GLU 54 HG1 GLU 54 -3.861 -1.642 -7.867
441 H VAL 55 HN VAL 55 -5.149 -1.141 -3.274
442 HA VAL 55 HA VAL 55 -7.846 -1.193 -4.113
443 HB VAL 55 HB VAL 55 -6.823 -2.982 -2.750
444 HG11 VAL 55 HG11 VAL 55 -7.021 -1.015 -0.476
445 HG12 VAL 55 HG12 VAL 55 -5.540 -1.663 -1.179
446 HG13 VAL 55 HG13 VAL 55 -6.648 -2.731 -0.322
447 HG21 VAL 55 HG21 VAL 55 -8.759 -3.420 -1.338
448 HG22 VAL 55 HG22 VAL 55 -9.239 -2.808 -2.923
449 HG23 VAL 55 HG23 VAL 55 -9.275 -1.742 -1.517
450 H LEU 56 HN LEU 56 -6.141 0.794 -1.740
451 HA LEU 56 HA LEU 56 -8.508 2.022 -0.730
452 HB2 LEU 56 HB2 LEU 56 -6.496 1.899 0.624
453 HB3 LEU 56 HB1 LEU 56 -5.611 2.856 -0.543
454 HG LEU 56 HG LEU 56 -7.156 4.765 -0.036
455 HD11 LEU 56 HD11 LEU 56 -8.505 4.704 1.952
456 HD12 LEU 56 HD12 LEU 56 -8.017 3.044 2.262
457 HD13 LEU 56 HD13 LEU 56 -9.011 3.418 0.858
458 HD21 LEU 56 HD21 LEU 56 -4.936 4.623 0.950
459 HD22 LEU 56 HD22 LEU 56 -5.578 3.647 2.271
460 HD23 LEU 56 HD23 LEU 56 -6.088 5.326 2.087
461 H SER 57 HN SER 57 -6.456 2.617 -3.453
462 HA SER 57 HA SER 57 -7.350 5.337 -3.824
463 HB2 SER 57 HB2 SER 57 -5.725 3.499 -5.590
464 HB3 SER 57 HB1 SER 57 -6.082 5.183 -5.969
465 HG SER 57 HG SER 57 -4.506 4.131 -3.869
466 H ASP 58 HN ASP 58 -8.542 2.231 -4.640
467 HA ASP 58 HA ASP 58 -10.159 3.376 -6.829
468 HB2 ASP 58 HB2 ASP 58 -8.695 1.479 -7.479
469 HB3 ASP 58 HB1 ASP 58 -9.527 0.461 -6.307
470 H LYS 59 HN LYS 59 -12.242 3.651 -6.471
471 HA LYS 59 HA LYS 59 -13.319 3.135 -3.914
472 HB2 LYS 59 HB2 LYS 59 -14.421 4.942 -4.634
473 HB3 LYS 59 HB1 LYS 59 -14.053 4.591 -6.311
474 HG2 LYS 59 HG2 LYS 59 -16.252 3.120 -4.919
475 HG3 LYS 59 HG1 LYS 59 -16.514 4.749 -5.545
476 HD2 LYS 59 HD2 LYS 59 -15.596 3.889 -7.751
477 HD3 LYS 59 HD1 LYS 59 -15.748 2.271 -7.065
478 HE2 LYS 59 HE2 LYS 59 -17.989 4.261 -7.405
479 HE3 LYS 59 HE1 LYS 59 -17.702 2.846 -8.415
480 HZ1 LYS 59 HZ1 LYS 59 -18.076 1.432 -6.494
481 HZ2 LYS 59 HZ2 LYS 59 -19.417 2.439 -6.755
482 HZ3 LYS 59 HZ3 LYS 59 -18.328 2.791 -5.510
483 H HIS 60 HN HIS 60 -13.576 1.458 -6.990
484 HA HIS 60 HA HIS 60 -15.752 -0.201 -6.158
485 HB2 HIS 60 HB2 HIS 60 -15.176 0.267 -8.555
486 HB3 HIS 60 HB1 HIS 60 -13.768 -0.776 -8.362
487 HD1 HIS 60 HD1 HIS 60 -17.358 -1.320 -7.217
488 HD2 HIS 60 HD2 HIS 60 -14.468 -3.070 -9.653
489 HE1 HIS 60 HE1 HIS 60 -18.359 -3.488 -8.023
490 HE2 HIS 60 HE2 HIS 60 -16.683 -4.410 -9.662
491 H LYS 61 HN LYS 61 -12.240 -0.540 -6.246
492 HA LYS 61 HA LYS 61 -12.137 -3.200 -5.311
493 HB2 LYS 61 HB2 LYS 61 -10.280 -1.227 -6.020
494 HB3 LYS 61 HB1 LYS 61 -9.930 -1.597 -4.337
495 HG2 LYS 61 HG2 LYS 61 -8.595 -2.986 -5.797
496 HG3 LYS 61 HG1 LYS 61 -9.752 -3.975 -4.906
497 HD2 LYS 61 HD2 LYS 61 -9.651 -4.677 -7.235
498 HD3 LYS 61 HD1 LYS 61 -11.235 -3.993 -6.858
499 HE2 LYS 61 HE2 LYS 61 -10.544 -3.134 -8.983
500 HE3 LYS 61 HE1 LYS 61 -10.454 -1.831 -7.799
501 HZ1 LYS 61 HZ1 LYS 61 -8.190 -3.409 -8.888
502 HZ2 LYS 61 HZ2 LYS 61 -8.043 -2.316 -7.602
503 HZ3 LYS 61 HZ3 LYS 61 -8.503 -1.764 -9.136
504 H ARG 62 HN ARG 62 -12.351 -0.099 -3.692
505 HA ARG 62 HA ARG 62 -12.112 -0.955 -1.041
506 HB2 ARG 62 HB2 ARG 62 -13.495 1.347 -2.373
507 HB3 ARG 62 HB1 ARG 62 -13.734 1.063 -0.653
508 HG2 ARG 62 HG2 ARG 62 -10.944 1.093 -1.644
509 HG3 ARG 62 HG1 ARG 62 -11.806 2.633 -1.588
510 HD2 ARG 62 HD2 ARG 62 -10.491 2.052 0.482
511 HD3 ARG 62 HD1 ARG 62 -12.189 2.441 0.742
512 HE ARG 62 HE ARG 62 -11.076 -0.300 0.763
513 HH11 ARG 62 HH11 ARG 62 -13.384 2.094 1.837
514 HH12 ARG 62 HH12 ARG 62 -14.177 1.039 2.966
515 HH21 ARG 62 HH21 ARG 62 -12.131 -1.723 2.238
516 HH22 ARG 62 HH22 ARG 62 -13.474 -1.151 3.183
517 H GLU 63 HN GLU 63 -14.961 -0.803 -3.165
518 HA GLU 63 HA GLU 63 -16.869 -1.702 -1.308
519 HB2 GLU 63 HB2 GLU 63 -16.775 -2.277 -4.281
520 HB3 GLU 63 HB1 GLU 63 -18.191 -2.404 -3.250
521 HG2 GLU 63 HG2 GLU 63 -18.194 -0.019 -2.899
522 HG3 GLU 63 HG1 GLU 63 -16.703 0.141 -3.829
523 H ILE 64 HN ILE 64 -14.728 -3.442 -3.510
524 HA ILE 64 HA ILE 64 -15.816 -6.010 -2.988
525 HB ILE 64 HB ILE 64 -13.118 -5.247 -4.115
526 HG12 ILE 64 HG12 ILE 64 -14.953 -4.399 -5.472
527 HG13 ILE 64 HG11 ILE 64 -14.168 -5.740 -6.300
528 HG21 ILE 64 HG21 ILE 64 -14.544 -7.901 -4.174
529 HG22 ILE 64 HG22 ILE 64 -13.079 -7.522 -3.268
530 HG23 ILE 64 HG23 ILE 64 -13.052 -7.518 -5.031
531 HD11 ILE 64 HD11 ILE 64 -16.750 -5.892 -4.759
532 HD12 ILE 64 HD12 ILE 64 -15.972 -7.223 -5.617
533 HD13 ILE 64 HD13 ILE 64 -16.587 -5.836 -6.516
534 H TYR 65 HN TYR 65 -12.959 -4.293 -1.763
535 HA TYR 65 HA TYR 65 -11.956 -6.451 -0.245
536 HB2 TYR 65 HB2 TYR 65 -10.670 -4.420 -0.909
537 HB3 TYR 65 HB1 TYR 65 -11.570 -3.502 0.291
538 HD1 TYR 65 HD2 TYR 65 -9.041 -6.126 -0.218
539 HD2 TYR 65 HD1 TYR 65 -11.049 -3.691 2.640
540 HE1 TYR 65 HE2 TYR 65 -7.374 -6.748 1.477
541 HE2 TYR 65 HE1 TYR 65 -9.382 -4.308 4.340
542 HH TYR 65 HH TYR 65 -7.794 -6.133 4.793
543 H ASP 66 HN ASP 66 -14.297 -3.947 0.420
544 HA ASP 66 HA ASP 66 -14.275 -4.212 3.251
545 HB2 ASP 66 HB2 ASP 66 -15.197 -2.318 1.600
546 HB3 ASP 66 HB1 ASP 66 -16.702 -3.190 1.870
547 H ARG 67 HN ARG 67 -16.466 -5.443 0.705
548 HA ARG 67 HA ARG 67 -18.001 -6.877 2.692
549 HB2 ARG 67 HB2 ARG 67 -19.371 -7.613 0.802
550 HB3 ARG 67 HB1 ARG 67 -19.156 -5.869 0.828
551 HG2 ARG 67 HG2 ARG 67 -17.189 -6.393 -0.816
552 HG3 ARG 67 HG1 ARG 67 -18.100 -7.884 -1.086
553 HD2 ARG 67 HD2 ARG 67 -19.101 -5.066 -1.386
554 HD3 ARG 67 HD1 ARG 67 -18.792 -6.218 -2.691
555 HE ARG 67 HE ARG 67 -20.585 -7.568 -1.262
556 HH11 ARG 67 HH11 ARG 67 -20.593 -4.226 -2.333
557 HH12 ARG 67 HH12 ARG 67 -22.321 -4.102 -2.327
558 HH21 ARG 67 HH21 ARG 67 -22.848 -7.397 -1.206
559 HH22 ARG 67 HH22 ARG 67 -23.614 -5.909 -1.688
560 H TYR 68 HN TYR 68 -15.373 -7.619 0.531
561 HA TYR 68 HA TYR 68 -15.927 -10.488 0.629
562 HB2 TYR 68 HB2 TYR 68 -15.124 -9.163 -1.443
563 HB3 TYR 68 HB1 TYR 68 -13.546 -9.183 -0.672
564 HD1 TYR 68 HD2 TYR 68 -16.269 -11.465 -1.777
565 HD2 TYR 68 HD1 TYR 68 -12.101 -10.959 -1.104
566 HE1 TYR 68 HE2 TYR 68 -15.842 -13.650 -2.815
567 HE2 TYR 68 HE1 TYR 68 -11.663 -13.144 -2.145
568 HH TYR 68 HH TYR 68 -14.034 -14.828 -3.928
569 H GLY 69 HN GLY 69 -14.722 -8.432 2.714
570 HA2 GLY 69 HA2 GLY 69 -12.459 -10.014 3.632
571 HA3 GLY 69 HA1 GLY 69 -13.116 -8.568 4.392
572 H ARG 70 HN ARG 70 -15.646 -9.079 4.778
573 HA ARG 70 HA ARG 70 -15.673 -10.711 7.077
574 HB2 ARG 70 HB2 ARG 70 -17.979 -9.582 5.486
575 HB3 ARG 70 HB1 ARG 70 -18.116 -10.298 7.085
576 HG2 ARG 70 HG2 ARG 70 -16.615 -7.796 6.347
577 HG3 ARG 70 HG1 ARG 70 -18.112 -7.907 7.275
578 HD2 ARG 70 HD2 ARG 70 -15.347 -8.773 8.081
579 HD3 ARG 70 HD1 ARG 70 -16.387 -7.581 8.858
580 HE ARG 70 HE ARG 70 -17.509 -10.233 8.817
581 HH11 ARG 70 HH11 ARG 70 -15.450 -8.015 10.597
582 HH12 ARG 70 HH12 ARG 70 -15.563 -8.918 12.077
583 HH21 ARG 70 HH21 ARG 70 -17.643 -11.400 10.743
584 HH22 ARG 70 HH22 ARG 70 -16.823 -10.833 12.168
585 H GLU 71 HN GLU 71 -17.050 -11.246 3.832
586 HA GLU 71 HA GLU 71 -18.111 -13.797 4.547
587 HB2 GLU 71 HB2 GLU 71 -18.461 -14.071 2.069
588 HB3 GLU 71 HB1 GLU 71 -19.229 -12.661 2.781
589 HG2 GLU 71 HG2 GLU 71 -17.398 -11.260 1.941
590 HG3 GLU 71 HG1 GLU 71 -16.672 -12.684 1.198
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -13.608 3.743 10.095
2 H2 MET 1 HT2 MET 1 -12.069 3.996 10.754
3 H3 MET 1 HT3 MET 1 -13.304 3.356 11.715
4 HA MET 1 HA MET 1 -11.703 1.674 11.011
5 HB2 MET 1 HB2 MET 1 -14.563 1.492 10.086
6 HB3 MET 1 HB1 MET 1 -13.463 0.129 9.947
7 HG2 MET 1 HG2 MET 1 -14.838 -0.015 11.950
8 HG3 MET 1 HG1 MET 1 -13.124 0.119 12.342
9 HE1 MET 1 HE1 MET 1 -14.798 2.008 15.323
10 HE2 MET 1 HE2 MET 1 -13.673 0.735 14.848
11 HE3 MET 1 HE3 MET 1 -15.393 0.567 14.501
12 H ALA 2 HN ALA 2 -10.212 1.333 9.573
13 HA ALA 2 HA ALA 2 -10.721 0.913 6.823
14 HB1 ALA 2 HB1 ALA 2 -10.906 3.371 6.783
15 HB2 ALA 2 HB2 ALA 2 -9.528 2.795 5.845
16 HB3 ALA 2 HB3 ALA 2 -9.276 3.493 7.445
17 H SER 3 HN SER 3 -8.269 2.105 9.065
18 HA SER 3 HA SER 3 -6.293 1.289 9.782
19 HB2 SER 3 HB2 SER 3 -7.598 -0.892 9.842
20 HB3 SER 3 HB1 SER 3 -6.865 -1.270 8.284
21 HG SER 3 HG SER 3 -5.647 -2.159 9.983
22 H TYR 4 HN TYR 4 -7.003 1.771 6.568
23 HA TYR 4 HA TYR 4 -4.704 0.863 5.252
24 HB2 TYR 4 HB2 TYR 4 -6.577 3.139 4.606
25 HB3 TYR 4 HB1 TYR 4 -5.285 2.614 3.532
26 HD1 TYR 4 HD1 TYR 4 -5.332 0.199 2.705
27 HD2 TYR 4 HD2 TYR 4 -8.669 2.072 4.563
28 HE1 TYR 4 HE1 TYR 4 -6.825 -1.477 1.701
29 HE2 TYR 4 HE2 TYR 4 -10.168 0.398 3.571
30 HH TYR 4 HH TYR 4 -9.049 -2.450 2.120
31 H TYR 5 HN TYR 5 -5.291 3.745 7.122
32 HA TYR 5 HA TYR 5 -2.998 5.195 6.387
33 HB2 TYR 5 HB2 TYR 5 -3.364 6.051 8.898
34 HB3 TYR 5 HB1 TYR 5 -4.405 6.549 7.569
35 HD1 TYR 5 HD1 TYR 5 -4.147 4.336 10.516
36 HD2 TYR 5 HD2 TYR 5 -6.691 5.876 7.473
37 HE1 TYR 5 HE1 TYR 5 -6.105 3.443 11.706
38 HE2 TYR 5 HE2 TYR 5 -8.652 4.989 8.655
39 HH TYR 5 HH TYR 5 -8.542 3.865 11.844
40 H GLU 6 HN GLU 6 -3.519 2.618 8.710
41 HA GLU 6 HA GLU 6 -0.892 2.763 9.831
42 HB2 GLU 6 HB2 GLU 6 -3.105 0.733 9.979
43 HB3 GLU 6 HB1 GLU 6 -1.531 0.447 10.713
44 HG2 GLU 6 HG2 GLU 6 -3.250 2.830 11.315
45 HG3 GLU 6 HG1 GLU 6 -3.256 1.338 12.261
46 H ILE 7 HN ILE 7 -2.454 0.731 7.374
47 HA ILE 7 HA ILE 7 -0.209 -0.970 7.061
48 HB ILE 7 HB ILE 7 -1.277 -1.818 5.031
49 HG12 ILE 7 HG12 ILE 7 -3.748 -0.821 4.773
50 HG13 ILE 7 HG11 ILE 7 -2.932 0.639 5.311
51 HG21 ILE 7 HG21 ILE 7 -3.234 -2.738 6.066
52 HG22 ILE 7 HG22 ILE 7 -3.299 -1.408 7.221
53 HG23 ILE 7 HG23 ILE 7 -1.972 -2.573 7.289
54 HD11 ILE 7 HD11 ILE 7 -1.363 0.432 3.440
55 HD12 ILE 7 HD12 ILE 7 -3.039 0.555 2.902
56 HD13 ILE 7 HD13 ILE 7 -2.225 -1.009 2.897
57 H LEU 8 HN LEU 8 -1.244 1.953 5.377
58 HA LEU 8 HA LEU 8 1.290 1.938 3.907
59 HB2 LEU 8 HB2 LEU 8 -0.842 2.330 2.659
60 HB3 LEU 8 HB1 LEU 8 -1.060 3.805 3.577
61 HG LEU 8 HG LEU 8 0.991 4.730 2.595
62 HD11 LEU 8 HD11 LEU 8 2.080 3.573 0.734
63 HD12 LEU 8 HD12 LEU 8 1.049 2.168 1.004
64 HD13 LEU 8 HD13 LEU 8 2.215 2.659 2.235
65 HD21 LEU 8 HD21 LEU 8 -1.000 3.680 0.586
66 HD22 LEU 8 HD22 LEU 8 0.137 4.998 0.305
67 HD23 LEU 8 HD23 LEU 8 -1.135 5.174 1.514
68 H ASP 9 HN ASP 9 -0.391 4.869 4.723
69 HA ASP 9 HA ASP 9 0.859 5.557 7.102
70 HB2 ASP 9 HB2 ASP 9 2.579 7.145 6.407
71 HB3 ASP 9 HB1 ASP 9 2.961 5.531 5.825
72 H VAL 10 HN VAL 10 -0.808 6.369 4.219
73 HA VAL 10 HA VAL 10 -1.850 8.801 5.520
74 HB VAL 10 HB VAL 10 -2.514 9.544 3.216
75 HG11 VAL 10 HG11 VAL 10 0.430 9.117 3.705
76 HG12 VAL 10 HG12 VAL 10 -0.546 10.468 4.281
77 HG13 VAL 10 HG13 VAL 10 -0.258 10.261 2.553
78 HG21 VAL 10 HG21 VAL 10 -0.740 7.258 2.359
79 HG22 VAL 10 HG22 VAL 10 -1.388 8.508 1.296
80 HG23 VAL 10 HG23 VAL 10 -2.479 7.382 2.103
81 HA PRO 11 HA PRO 11 -5.800 6.799 5.228
82 HB2 PRO 11 HB2 PRO 11 -7.278 8.917 6.119
83 HB3 PRO 11 HB1 PRO 11 -6.265 7.917 7.163
84 HG2 PRO 11 HG2 PRO 11 -5.892 10.683 6.383
85 HG3 PRO 11 HG1 PRO 11 -4.992 9.737 7.576
86 HD2 PRO 11 HD2 PRO 11 -4.292 10.381 4.802
87 HD3 PRO 11 HD1 PRO 11 -3.258 9.778 6.113
88 H ARG 12 HN ARG 12 -8.157 7.495 4.572
89 HA ARG 12 HA ARG 12 -8.166 7.817 1.772
90 HB2 ARG 12 HB2 ARG 12 -10.637 7.927 2.027
91 HB3 ARG 12 HB1 ARG 12 -9.913 6.555 2.858
92 HG2 ARG 12 HG2 ARG 12 -10.146 7.634 4.977
93 HG3 ARG 12 HG1 ARG 12 -10.639 9.145 4.209
94 HD2 ARG 12 HD2 ARG 12 -12.637 7.952 3.312
95 HD3 ARG 12 HD1 ARG 12 -12.164 6.543 4.265
96 HE ARG 12 HE ARG 12 -12.576 7.812 6.257
97 HH11 ARG 12 HH11 ARG 12 -13.693 9.289 3.282
98 HH12 ARG 12 HH12 ARG 12 -14.725 10.429 4.089
99 HH21 ARG 12 HH21 ARG 12 -13.921 9.286 7.316
100 HH22 ARG 12 HH22 ARG 12 -14.868 10.428 6.400
101 H SER 13 HN SER 13 -8.434 10.072 4.366
102 HA SER 13 HA SER 13 -9.851 12.136 3.112
103 HB2 SER 13 HB2 SER 13 -8.572 13.531 4.922
104 HB3 SER 13 HB1 SER 13 -9.758 12.325 5.416
105 HG SER 13 HG SER 13 -7.083 12.423 5.889
106 H ALA 14 HN ALA 14 -6.591 11.127 2.725
107 HA ALA 14 HA ALA 14 -5.631 13.654 1.725
108 HB1 ALA 14 HB1 ALA 14 -3.558 12.603 1.394
109 HB2 ALA 14 HB2 ALA 14 -4.280 10.999 1.339
110 HB3 ALA 14 HB3 ALA 14 -4.206 11.880 2.867
111 H SER 15 HN SER 15 -5.209 14.183 -0.398
112 HA SER 15 HA SER 15 -6.891 13.397 -2.443
113 HB2 SER 15 HB2 SER 15 -5.553 15.418 -2.597
114 HB3 SER 15 HB1 SER 15 -4.061 14.484 -2.564
115 HG SER 15 HG SER 15 -5.964 14.751 -4.638
116 H ALA 16 HN ALA 16 -6.837 11.851 -4.044
117 HA ALA 16 HA ALA 16 -5.613 9.395 -3.567
118 HB1 ALA 16 HB1 ALA 16 -6.576 10.458 -6.223
119 HB2 ALA 16 HB2 ALA 16 -7.578 9.668 -5.006
120 HB3 ALA 16 HB3 ALA 16 -6.298 8.764 -5.815
121 H ASP 17 HN ASP 17 -4.502 12.164 -5.397
122 HA ASP 17 HA ASP 17 -2.205 10.973 -6.537
123 HB2 ASP 17 HB2 ASP 17 -2.951 13.812 -5.894
124 HB3 ASP 17 HB1 ASP 17 -1.348 13.412 -6.500
125 H ASP 18 HN ASP 18 -2.861 12.397 -3.404
126 HA ASP 18 HA ASP 18 -0.172 12.485 -2.478
127 HB2 ASP 18 HB2 ASP 18 -2.094 13.753 -1.451
128 HB3 ASP 18 HB1 ASP 18 -2.672 12.227 -0.783
129 H ILE 19 HN ILE 19 -2.802 10.132 -2.104
130 HA ILE 19 HA ILE 19 -1.370 8.196 -0.664
131 HB ILE 19 HB ILE 19 -3.718 8.040 -2.524
132 HG12 ILE 19 HG12 ILE 19 -4.678 7.030 -0.344
133 HG13 ILE 19 HG11 ILE 19 -3.235 7.699 0.411
134 HG21 ILE 19 HG21 ILE 19 -2.426 5.998 -2.944
135 HG22 ILE 19 HG22 ILE 19 -3.955 5.664 -2.134
136 HG23 ILE 19 HG23 ILE 19 -2.449 5.639 -1.216
137 HD11 ILE 19 HD11 ILE 19 -5.536 9.094 -0.850
138 HD12 ILE 19 HD12 ILE 19 -3.955 9.866 -0.791
139 HD13 ILE 19 HD13 ILE 19 -4.755 9.383 0.708
140 H LYS 20 HN LYS 20 -1.613 8.847 -4.117
141 HA LYS 20 HA LYS 20 -0.057 6.667 -4.993
142 HB2 LYS 20 HB2 LYS 20 -1.557 8.405 -6.289
143 HB3 LYS 20 HB1 LYS 20 -0.039 9.275 -6.455
144 HG2 LYS 20 HG2 LYS 20 0.964 7.366 -7.564
145 HG3 LYS 20 HG1 LYS 20 -0.519 6.438 -7.339
146 HD2 LYS 20 HD2 LYS 20 -0.231 8.965 -8.964
147 HD3 LYS 20 HD1 LYS 20 -0.380 7.330 -9.610
148 HE2 LYS 20 HE2 LYS 20 -2.462 8.674 -7.887
149 HE3 LYS 20 HE1 LYS 20 -2.495 8.664 -9.647
150 HZ1 LYS 20 HZ1 LYS 20 -2.527 6.227 -7.953
151 HZ2 LYS 20 HZ2 LYS 20 -2.687 6.285 -9.636
152 HZ3 LYS 20 HZ3 LYS 20 -3.899 6.939 -8.646
153 H LYS 21 HN LYS 21 0.769 9.920 -3.885
154 HA LYS 21 HA LYS 21 3.551 9.784 -4.387
155 HB2 LYS 21 HB2 LYS 21 2.055 11.269 -2.217
156 HB3 LYS 21 HB1 LYS 21 3.761 11.478 -2.564
157 HG2 LYS 21 HG2 LYS 21 1.523 12.075 -4.488
158 HG3 LYS 21 HG1 LYS 21 2.352 13.265 -3.487
159 HD2 LYS 21 HD2 LYS 21 3.444 13.464 -5.525
160 HD3 LYS 21 HD1 LYS 21 4.499 12.371 -4.629
161 HE2 LYS 21 HE2 LYS 21 4.096 11.661 -6.962
162 HE3 LYS 21 HE1 LYS 21 3.600 10.460 -5.761
163 HZ1 LYS 21 HZ1 LYS 21 1.808 12.357 -7.214
164 HZ2 LYS 21 HZ2 LYS 21 1.304 11.277 -6.014
165 HZ3 LYS 21 HZ3 LYS 21 1.925 10.685 -7.476
166 H ALA 22 HN ALA 22 1.558 8.868 -1.627
167 HA ALA 22 HA ALA 22 3.591 8.041 0.106
168 HB1 ALA 22 HB1 ALA 22 0.837 6.835 -0.110
169 HB2 ALA 22 HB2 ALA 22 1.190 8.347 0.723
170 HB3 ALA 22 HB3 ALA 22 1.892 6.835 1.301
171 H TYR 23 HN TYR 23 1.740 6.232 -2.326
172 HA TYR 23 HA TYR 23 3.035 3.767 -1.974
173 HB2 TYR 23 HB2 TYR 23 1.247 3.365 -3.284
174 HB3 TYR 23 HB1 TYR 23 1.278 4.974 -4.005
175 HD1 TYR 23 HD2 TYR 23 2.895 1.617 -4.175
176 HD2 TYR 23 HD1 TYR 23 2.098 5.284 -6.181
177 HE1 TYR 23 HE2 TYR 23 3.807 0.673 -6.255
178 HE2 TYR 23 HE1 TYR 23 3.007 4.350 -8.262
179 HH TYR 23 HH TYR 23 3.721 1.010 -8.643
180 H ARG 24 HN ARG 24 3.852 6.535 -4.056
181 HA ARG 24 HA ARG 24 5.927 5.162 -5.394
182 HB2 ARG 24 HB2 ARG 24 5.303 8.106 -5.139
183 HB3 ARG 24 HB1 ARG 24 6.749 7.526 -5.964
184 HG2 ARG 24 HG2 ARG 24 5.213 6.122 -7.383
185 HG3 ARG 24 HG1 ARG 24 3.883 7.043 -6.674
186 HD2 ARG 24 HD2 ARG 24 4.393 8.218 -8.630
187 HD3 ARG 24 HD1 ARG 24 5.226 9.106 -7.345
188 HE ARG 24 HE ARG 24 6.842 7.076 -8.604
189 HH11 ARG 24 HH11 ARG 24 5.822 10.429 -8.800
190 HH12 ARG 24 HH12 ARG 24 7.231 10.929 -9.686
191 HH21 ARG 24 HH21 ARG 24 8.656 7.730 -9.775
192 HH22 ARG 24 HH22 ARG 24 8.830 9.390 -10.269
193 H ARG 25 HN ARG 25 5.984 7.328 -2.556
194 HA ARG 25 HA ARG 25 8.811 7.103 -2.264
195 HB2 ARG 25 HB2 ARG 25 8.522 8.099 -0.060
196 HB3 ARG 25 HB1 ARG 25 7.612 8.980 -1.273
197 HG2 ARG 25 HG2 ARG 25 5.550 7.983 -0.506
198 HG3 ARG 25 HG1 ARG 25 6.436 6.981 0.650
199 HD2 ARG 25 HD2 ARG 25 7.166 8.925 1.853
200 HD3 ARG 25 HD1 ARG 25 6.482 9.994 0.634
201 HE ARG 25 HE ARG 25 4.620 8.235 2.020
202 HH11 ARG 25 HH11 ARG 25 6.093 11.402 1.781
203 HH12 ARG 25 HH12 ARG 25 4.810 12.211 2.642
204 HH21 ARG 25 HH21 ARG 25 2.943 9.279 3.202
205 HH22 ARG 25 HH22 ARG 25 3.019 11.006 3.434
206 H LYS 26 HN LYS 26 6.071 5.283 -1.099
207 HA LYS 26 HA LYS 26 7.339 3.549 0.695
208 HB2 LYS 26 HB2 LYS 26 4.888 3.777 0.329
209 HB3 LYS 26 HB1 LYS 26 5.070 2.993 -1.230
210 HG2 LYS 26 HG2 LYS 26 4.212 1.440 0.383
211 HG3 LYS 26 HG1 LYS 26 5.845 0.965 -0.094
212 HD2 LYS 26 HD2 LYS 26 6.761 1.701 1.909
213 HD3 LYS 26 HD1 LYS 26 5.341 2.652 2.331
214 HE2 LYS 26 HE2 LYS 26 5.459 0.628 3.684
215 HE3 LYS 26 HE1 LYS 26 4.048 0.601 2.629
216 HZ1 LYS 26 HZ1 LYS 26 5.312 -0.819 1.102
217 HZ2 LYS 26 HZ2 LYS 26 5.102 -1.531 2.626
218 HZ3 LYS 26 HZ3 LYS 26 6.597 -0.850 2.201
219 H ALA 27 HN ALA 27 6.845 3.385 -2.775
220 HA ALA 27 HA ALA 27 8.135 0.928 -3.259
221 HB1 ALA 27 HB1 ALA 27 8.075 3.102 -5.307
222 HB2 ALA 27 HB2 ALA 27 6.564 2.374 -4.770
223 HB3 ALA 27 HB3 ALA 27 7.817 1.368 -5.508
224 H LEU 28 HN LEU 28 9.298 4.275 -3.482
225 HA LEU 28 HA LEU 28 11.869 3.590 -4.456
226 HB2 LEU 28 HB2 LEU 28 10.519 6.033 -3.529
227 HB3 LEU 28 HB1 LEU 28 12.266 6.043 -3.377
228 HG LEU 28 HG LEU 28 12.398 5.485 -5.823
229 HD11 LEU 28 HD11 LEU 28 9.512 6.274 -5.945
230 HD12 LEU 28 HD12 LEU 28 10.010 4.592 -5.815
231 HD13 LEU 28 HD13 LEU 28 10.517 5.555 -7.206
232 HD21 LEU 28 HD21 LEU 28 12.686 7.766 -5.013
233 HD22 LEU 28 HD22 LEU 28 10.942 8.020 -5.087
234 HD23 LEU 28 HD23 LEU 28 11.856 7.750 -6.570
235 H GLN 29 HN GLN 29 10.601 4.094 -1.219
236 HA GLN 29 HA GLN 29 13.053 4.308 0.133
237 HB2 GLN 29 HB2 GLN 29 10.876 4.876 1.139
238 HB3 GLN 29 HB1 GLN 29 10.436 3.173 1.139
239 HG2 GLN 29 HG2 GLN 29 11.137 3.827 3.338
240 HG3 GLN 29 HG1 GLN 29 12.314 2.710 2.653
241 HE21 GLN 29 HE21 GLN 29 13.967 3.394 3.962
242 HE22 GLN 29 HE22 GLN 29 14.706 4.951 3.822
243 H TRP 30 HN TRP 30 11.145 1.496 -0.820
244 HA TRP 30 HA TRP 30 13.213 -0.231 0.362
245 HB2 TRP 30 HB2 TRP 30 10.396 -1.002 -0.421
246 HB3 TRP 30 HB1 TRP 30 11.557 -1.995 0.458
247 HD1 TRP 30 HD1 TRP 30 8.557 -0.354 1.248
248 HE1 TRP 30 HE1 TRP 30 8.480 0.580 3.655
249 HE3 TRP 30 HE3 TRP 30 13.561 -0.418 2.310
250 HZ2 TRP 30 HZ2 TRP 30 10.293 1.209 5.706
251 HZ3 TRP 30 HZ3 TRP 30 14.303 0.374 4.519
252 HH2 TRP 30 HH2 TRP 30 12.703 1.170 6.181
253 H HIS 31 HN HIS 31 13.040 1.188 -2.293
254 HA HIS 31 HA HIS 31 12.804 -0.810 -4.317
255 HB2 HIS 31 HB2 HIS 31 12.600 1.771 -4.495
256 HB3 HIS 31 HB1 HIS 31 14.356 1.771 -4.544
257 HD1 HIS 31 HD1 HIS 31 15.344 1.654 -6.799
258 HD2 HIS 31 HD2 HIS 31 11.471 0.126 -6.704
259 HE1 HIS 31 HE1 HIS 31 14.760 1.123 -9.195
260 HE2 HIS 31 HE2 HIS 31 12.394 0.245 -9.123
261 HA PRO 32 HA PRO 32 16.396 -3.130 -3.684
262 HB2 PRO 32 HB2 PRO 32 17.145 -3.637 -6.306
263 HB3 PRO 32 HB1 PRO 32 15.911 -4.523 -5.402
264 HG2 PRO 32 HG2 PRO 32 15.590 -2.268 -7.339
265 HG3 PRO 32 HG1 PRO 32 14.622 -3.742 -7.169
266 HD2 PRO 32 HD2 PRO 32 13.729 -1.427 -6.218
267 HD3 PRO 32 HD1 PRO 32 13.500 -2.927 -5.288
268 H ASP 33 HN ASP 33 16.800 -0.473 -5.991
269 HA ASP 33 HA ASP 33 19.649 -0.538 -5.927
270 HB2 ASP 33 HB2 ASP 33 19.609 1.472 -7.179
271 HB3 ASP 33 HB1 ASP 33 18.215 0.548 -7.722
272 H LYS 34 HN LYS 34 17.200 0.933 -3.952
273 HA LYS 34 HA LYS 34 19.220 2.357 -2.371
274 HB2 LYS 34 HB2 LYS 34 16.511 2.920 -3.070
275 HB3 LYS 34 HB1 LYS 34 16.597 2.737 -1.324
276 HG2 LYS 34 HG2 LYS 34 16.942 5.017 -1.722
277 HG3 LYS 34 HG1 LYS 34 18.548 4.361 -1.399
278 HD2 LYS 34 HD2 LYS 34 18.788 5.792 -3.267
279 HD3 LYS 34 HD1 LYS 34 18.822 4.146 -3.906
280 HE2 LYS 34 HE2 LYS 34 16.420 4.357 -4.463
281 HE3 LYS 34 HE1 LYS 34 16.465 6.028 -3.902
282 HZ1 LYS 34 HZ1 LYS 34 16.701 6.061 -6.241
283 HZ2 LYS 34 HZ2 LYS 34 17.896 4.859 -6.218
284 HZ3 LYS 34 HZ3 LYS 34 18.239 6.405 -5.603
285 H ASN 35 HN ASN 35 18.265 -0.632 -2.498
286 HA ASN 35 HA ASN 35 17.762 -1.007 0.374
287 HB2 ASN 35 HB2 ASN 35 16.091 -2.052 -1.080
288 HB3 ASN 35 HB1 ASN 35 17.362 -2.877 -1.982
289 HD21 ASN 35 HD21 ASN 35 15.585 -2.731 0.996
290 HD22 ASN 35 HD22 ASN 35 16.026 -4.307 1.564
291 HA PRO 36 HA PRO 36 21.938 -2.445 0.606
292 HB2 PRO 36 HB2 PRO 36 21.995 -3.075 3.219
293 HB3 PRO 36 HB1 PRO 36 21.916 -1.404 2.648
294 HG2 PRO 36 HG2 PRO 36 19.772 -3.125 3.781
295 HG3 PRO 36 HG1 PRO 36 20.021 -1.382 3.950
296 HD2 PRO 36 HD2 PRO 36 18.221 -2.613 2.206
297 HD3 PRO 36 HD1 PRO 36 18.773 -0.931 2.111
298 H ASP 37 HN ASP 37 21.263 -4.573 3.173
299 HA ASP 37 HA ASP 37 21.982 -6.763 1.368
300 HB2 ASP 37 HB2 ASP 37 22.070 -6.709 4.379
301 HB3 ASP 37 HB1 ASP 37 22.755 -7.943 3.334
302 H ASN 38 HN ASN 38 19.246 -5.619 2.964
303 HA ASN 38 HA ASN 38 18.152 -8.339 3.184
304 HB2 ASN 38 HB2 ASN 38 17.296 -5.792 4.570
305 HB3 ASN 38 HB1 ASN 38 16.420 -7.316 4.676
306 HD21 ASN 38 HD21 ASN 38 19.130 -5.503 5.744
307 HD22 ASN 38 HD22 ASN 38 19.731 -6.662 6.882
308 H LYS 39 HN LYS 39 17.255 -8.819 1.296
309 HA LYS 39 HA LYS 39 15.685 -6.766 -0.095
310 HB2 LYS 39 HB2 LYS 39 16.773 -9.430 -1.027
311 HB3 LYS 39 HB1 LYS 39 15.718 -8.416 -1.999
312 HG2 LYS 39 HG2 LYS 39 17.873 -7.970 -2.777
313 HG3 LYS 39 HG1 LYS 39 17.476 -6.599 -1.744
314 HD2 LYS 39 HD2 LYS 39 19.776 -7.369 -1.381
315 HD3 LYS 39 HD1 LYS 39 18.791 -7.565 0.071
316 HE2 LYS 39 HE2 LYS 39 18.524 -9.919 -0.380
317 HE3 LYS 39 HE1 LYS 39 19.381 -9.761 -1.913
318 HZ1 LYS 39 HZ1 LYS 39 21.389 -9.219 -0.732
319 HZ2 LYS 39 HZ2 LYS 39 20.766 -10.673 -0.113
320 HZ3 LYS 39 HZ3 LYS 39 20.577 -9.234 0.759
321 H GLU 40 HN GLU 40 15.380 -9.558 1.813
322 HA GLU 40 HA GLU 40 13.059 -10.763 0.823
323 HB2 GLU 40 HB2 GLU 40 14.391 -11.888 2.441
324 HB3 GLU 40 HB1 GLU 40 14.264 -10.566 3.577
325 HG2 GLU 40 HG2 GLU 40 12.955 -12.498 4.265
326 HG3 GLU 40 HG1 GLU 40 11.944 -11.082 3.987
327 H PHE 41 HN PHE 41 13.423 -8.275 3.340
328 HA PHE 41 HA PHE 41 10.607 -7.985 3.628
329 HB2 PHE 41 HB2 PHE 41 11.006 -6.345 5.220
330 HB3 PHE 41 HB1 PHE 41 12.434 -7.358 5.344
331 HD1 PHE 41 HD1 PHE 41 14.597 -6.543 4.497
332 HD2 PHE 41 HD2 PHE 41 11.119 -4.096 4.514
333 HE1 PHE 41 HE1 PHE 41 16.005 -4.543 4.247
334 HE2 PHE 41 HE2 PHE 41 12.519 -2.094 4.256
335 HZ PHE 41 HZ PHE 41 14.967 -2.316 4.125
336 H ALA 42 HN ALA 42 13.036 -6.389 1.661
337 HA ALA 42 HA ALA 42 11.546 -4.159 0.848
338 HB1 ALA 42 HB1 ALA 42 13.801 -5.658 -0.450
339 HB2 ALA 42 HB2 ALA 42 13.849 -4.094 0.371
340 HB3 ALA 42 HB3 ALA 42 13.064 -4.244 -1.200
341 H GLU 43 HN GLU 43 11.802 -7.415 -0.594
342 HA GLU 43 HA GLU 43 10.152 -6.774 -2.814
343 HB2 GLU 43 HB2 GLU 43 10.010 -9.221 -3.184
344 HB3 GLU 43 HB1 GLU 43 11.658 -8.639 -3.005
345 HG2 GLU 43 HG2 GLU 43 11.867 -9.567 -0.860
346 HG3 GLU 43 HG1 GLU 43 10.128 -9.820 -0.713
347 H LYS 44 HN LYS 44 9.482 -8.231 0.363
348 HA LYS 44 HA LYS 44 6.723 -8.662 -0.174
349 HB2 LYS 44 HB2 LYS 44 8.407 -8.640 2.271
350 HB3 LYS 44 HB1 LYS 44 6.674 -8.430 2.487
351 HG2 LYS 44 HG2 LYS 44 7.185 -10.747 2.711
352 HG3 LYS 44 HG1 LYS 44 6.317 -10.520 1.193
353 HD2 LYS 44 HD2 LYS 44 8.460 -10.563 -0.015
354 HD3 LYS 44 HD1 LYS 44 9.302 -10.834 1.511
355 HE2 LYS 44 HE2 LYS 44 7.877 -12.902 1.786
356 HE3 LYS 44 HE1 LYS 44 7.357 -12.662 0.118
357 HZ1 LYS 44 HZ1 LYS 44 9.715 -12.762 -0.548
358 HZ2 LYS 44 HZ2 LYS 44 9.184 -14.201 0.174
359 HZ3 LYS 44 HZ3 LYS 44 10.141 -13.115 1.059
360 H LYS 45 HN LYS 45 8.524 -5.921 1.093
361 HA LYS 45 HA LYS 45 6.289 -4.348 1.819
362 HB2 LYS 45 HB2 LYS 45 9.128 -3.645 1.114
363 HB3 LYS 45 HB1 LYS 45 7.934 -2.408 1.486
364 HG2 LYS 45 HG2 LYS 45 8.917 -4.603 3.296
365 HG3 LYS 45 HG1 LYS 45 9.160 -2.866 3.479
366 HD2 LYS 45 HD2 LYS 45 6.695 -2.618 3.686
367 HD3 LYS 45 HD1 LYS 45 6.569 -4.369 3.659
368 HE2 LYS 45 HE2 LYS 45 7.937 -4.500 5.675
369 HE3 LYS 45 HE1 LYS 45 8.059 -2.743 5.710
370 HZ1 LYS 45 HZ1 LYS 45 5.718 -2.564 6.073
371 HZ2 LYS 45 HZ2 LYS 45 6.331 -3.661 7.212
372 HZ3 LYS 45 HZ3 LYS 45 5.492 -4.230 5.853
373 H PHE 46 HN PHE 46 7.995 -4.869 -1.179
374 HA PHE 46 HA PHE 46 6.633 -2.895 -2.704
375 HB2 PHE 46 HB2 PHE 46 8.764 -3.981 -3.400
376 HB3 PHE 46 HB1 PHE 46 7.883 -5.484 -3.660
377 HD1 PHE 46 HD2 PHE 46 8.134 -1.964 -4.776
378 HD2 PHE 46 HD1 PHE 46 6.808 -5.901 -5.695
379 HE1 PHE 46 HE2 PHE 46 7.642 -1.255 -7.081
380 HE2 PHE 46 HE1 PHE 46 6.316 -5.202 -8.000
381 HZ PHE 46 HZ PHE 46 6.731 -2.876 -8.695
382 H LYS 47 HN LYS 47 6.014 -6.299 -1.997
383 HA LYS 47 HA LYS 47 3.837 -6.686 -3.732
384 HB2 LYS 47 HB2 LYS 47 4.959 -8.561 -2.700
385 HB3 LYS 47 HB1 LYS 47 4.543 -7.984 -1.095
386 HG2 LYS 47 HG2 LYS 47 3.094 -9.773 -1.529
387 HG3 LYS 47 HG1 LYS 47 2.121 -8.317 -1.741
388 HD2 LYS 47 HD2 LYS 47 1.651 -9.901 -3.515
389 HD3 LYS 47 HD1 LYS 47 2.455 -8.477 -4.178
390 HE2 LYS 47 HE2 LYS 47 4.541 -9.640 -4.320
391 HE3 LYS 47 HE1 LYS 47 3.892 -11.020 -3.435
392 HZ1 LYS 47 HZ1 LYS 47 2.904 -10.121 -6.089
393 HZ2 LYS 47 HZ2 LYS 47 2.457 -11.533 -5.258
394 HZ3 LYS 47 HZ3 LYS 47 4.034 -11.368 -5.857
395 H GLU 48 HN GLU 48 3.947 -5.705 -0.318
396 HA GLU 48 HA GLU 48 1.151 -5.641 0.026
397 HB2 GLU 48 HB2 GLU 48 1.657 -4.283 2.072
398 HB3 GLU 48 HB1 GLU 48 2.506 -5.821 1.978
399 HG2 GLU 48 HG2 GLU 48 4.541 -4.769 1.413
400 HG3 GLU 48 HG1 GLU 48 3.743 -3.228 1.119
401 H VAL 49 HN VAL 49 3.488 -3.067 -0.800
402 HA VAL 49 HA VAL 49 1.566 -0.996 -0.604
403 HB VAL 49 HB VAL 49 3.929 -0.431 -0.552
404 HG11 VAL 49 HG11 VAL 49 4.049 -1.096 -3.483
405 HG12 VAL 49 HG12 VAL 49 4.658 -2.154 -2.212
406 HG13 VAL 49 HG13 VAL 49 5.372 -0.556 -2.450
407 HG21 VAL 49 HG21 VAL 49 3.883 1.507 -1.979
408 HG22 VAL 49 HG22 VAL 49 2.271 1.240 -1.315
409 HG23 VAL 49 HG23 VAL 49 2.625 0.782 -2.979
410 H ALA 50 HN ALA 50 2.555 -3.075 -3.291
411 HA ALA 50 HA ALA 50 1.284 -1.608 -5.329
412 HB1 ALA 50 HB1 ALA 50 1.696 -4.596 -5.231
413 HB2 ALA 50 HB2 ALA 50 2.930 -3.428 -5.696
414 HB3 ALA 50 HB3 ALA 50 1.473 -3.601 -6.672
415 H GLU 51 HN GLU 51 0.114 -4.350 -3.354
416 HA GLU 51 HA GLU 51 -2.445 -4.318 -4.629
417 HB2 GLU 51 HB2 GLU 51 -3.116 -5.996 -3.052
418 HB3 GLU 51 HB1 GLU 51 -1.499 -6.368 -3.626
419 HG2 GLU 51 HG2 GLU 51 -0.527 -5.636 -1.583
420 HG3 GLU 51 HG1 GLU 51 -2.058 -4.977 -1.023
421 H ALA 52 HN ALA 52 -1.150 -3.006 -1.637
422 HA ALA 52 HA ALA 52 -3.704 -2.334 -0.560
423 HB1 ALA 52 HB1 ALA 52 -1.640 -2.852 0.764
424 HB2 ALA 52 HB2 ALA 52 -2.527 -1.409 1.269
425 HB3 ALA 52 HB3 ALA 52 -1.044 -1.248 0.324
426 H TYR 53 HN TYR 53 -1.219 -0.545 -2.337
427 HA TYR 53 HA TYR 53 -2.488 1.982 -2.025
428 HB2 TYR 53 HB2 TYR 53 -0.421 2.497 -2.772
429 HB3 TYR 53 HB1 TYR 53 -0.193 0.921 -3.519
430 HD1 TYR 53 HD1 TYR 53 -1.901 4.184 -4.030
431 HD2 TYR 53 HD2 TYR 53 -0.217 0.730 -5.857
432 HE1 TYR 53 HE1 TYR 53 -2.233 5.187 -6.230
433 HE2 TYR 53 HE2 TYR 53 -0.536 1.746 -8.078
434 HH TYR 53 HH TYR 53 -2.017 3.467 -9.112
435 H GLU 54 HN GLU 54 -2.577 -0.536 -4.496
436 HA GLU 54 HA GLU 54 -4.239 0.708 -6.343
437 HB2 GLU 54 HB2 GLU 54 -3.096 -1.402 -6.793
438 HB3 GLU 54 HB1 GLU 54 -4.088 -2.219 -5.595
439 HG2 GLU 54 HG2 GLU 54 -4.934 -2.783 -7.732
440 HG3 GLU 54 HG1 GLU 54 -6.082 -1.670 -6.989
441 H VAL 55 HN VAL 55 -5.144 -1.333 -3.555
442 HA VAL 55 HA VAL 55 -7.925 -1.119 -4.072
443 HB VAL 55 HB VAL 55 -7.044 -3.009 -2.823
444 HG11 VAL 55 HG11 VAL 55 -5.286 -1.945 -1.559
445 HG12 VAL 55 HG12 VAL 55 -6.401 -2.780 -0.482
446 HG13 VAL 55 HG13 VAL 55 -6.474 -1.028 -0.634
447 HG21 VAL 55 HG21 VAL 55 -8.982 -1.344 -1.234
448 HG22 VAL 55 HG22 VAL 55 -8.721 -3.078 -1.040
449 HG23 VAL 55 HG23 VAL 55 -9.378 -2.447 -2.551
450 H LEU 56 HN LEU 56 -5.729 0.670 -1.932
451 HA LEU 56 HA LEU 56 -7.843 2.098 -0.647
452 HB2 LEU 56 HB2 LEU 56 -5.647 1.596 0.385
453 HB3 LEU 56 HB1 LEU 56 -4.898 2.735 -0.712
454 HG LEU 56 HG LEU 56 -5.427 3.459 1.710
455 HD11 LEU 56 HD11 LEU 56 -5.851 5.761 1.008
456 HD12 LEU 56 HD12 LEU 56 -6.250 5.186 -0.611
457 HD13 LEU 56 HD13 LEU 56 -4.613 4.994 0.014
458 HD21 LEU 56 HD21 LEU 56 -7.624 4.428 2.049
459 HD22 LEU 56 HD22 LEU 56 -7.740 2.695 1.735
460 HD23 LEU 56 HD23 LEU 56 -8.132 3.850 0.462
461 H SER 57 HN SER 57 -5.903 2.672 -3.501
462 HA SER 57 HA SER 57 -6.506 5.480 -3.582
463 HB2 SER 57 HB2 SER 57 -4.412 4.563 -4.529
464 HB3 SER 57 HB1 SER 57 -5.353 3.697 -5.741
465 HG SER 57 HG SER 57 -6.205 5.990 -6.145
466 H ASP 58 HN ASP 58 -8.122 2.632 -4.515
467 HA ASP 58 HA ASP 58 -9.910 4.189 -6.266
468 HB2 ASP 58 HB2 ASP 58 -8.818 2.281 -7.397
469 HB3 ASP 58 HB1 ASP 58 -9.528 1.191 -6.210
470 H LYS 59 HN LYS 59 -11.934 4.494 -5.641
471 HA LYS 59 HA LYS 59 -12.645 3.891 -2.978
472 HB2 LYS 59 HB2 LYS 59 -14.926 4.751 -3.812
473 HB3 LYS 59 HB1 LYS 59 -13.575 5.865 -3.723
474 HG2 LYS 59 HG2 LYS 59 -14.394 6.404 -5.773
475 HG3 LYS 59 HG1 LYS 59 -13.292 5.114 -6.248
476 HD2 LYS 59 HD2 LYS 59 -15.251 4.595 -7.383
477 HD3 LYS 59 HD1 LYS 59 -15.316 3.559 -5.958
478 HE2 LYS 59 HE2 LYS 59 -16.730 6.212 -6.255
479 HE3 LYS 59 HE1 LYS 59 -17.484 4.637 -6.476
480 HZ1 LYS 59 HZ1 LYS 59 -17.922 5.561 -4.279
481 HZ2 LYS 59 HZ2 LYS 59 -16.266 5.616 -3.947
482 HZ3 LYS 59 HZ3 LYS 59 -17.038 4.117 -4.165
483 H HIS 60 HN HIS 60 -13.523 2.452 -6.040
484 HA HIS 60 HA HIS 60 -15.661 0.874 -5.069
485 HB2 HIS 60 HB2 HIS 60 -15.378 1.423 -7.454
486 HB3 HIS 60 HB1 HIS 60 -13.922 0.436 -7.505
487 HD1 HIS 60 HD1 HIS 60 -17.665 0.142 -7.167
488 HD2 HIS 60 HD2 HIS 60 -14.351 -2.280 -7.855
489 HE1 HIS 60 HE1 HIS 60 -18.586 -2.116 -7.804
490 HE2 HIS 60 HE2 HIS 60 -16.566 -3.526 -8.348
491 H LYS 61 HN LYS 61 -12.212 0.259 -5.518
492 HA LYS 61 HA LYS 61 -12.226 -2.484 -4.901
493 HB2 LYS 61 HB2 LYS 61 -10.016 -0.516 -4.308
494 HB3 LYS 61 HB1 LYS 61 -9.849 -2.257 -4.453
495 HG2 LYS 61 HG2 LYS 61 -10.695 -0.430 -6.692
496 HG3 LYS 61 HG1 LYS 61 -9.047 -0.998 -6.425
497 HD2 LYS 61 HD2 LYS 61 -9.745 -3.291 -6.767
498 HD3 LYS 61 HD1 LYS 61 -11.431 -2.786 -6.911
499 HE2 LYS 61 HE2 LYS 61 -10.882 -1.492 -8.906
500 HE3 LYS 61 HE1 LYS 61 -9.189 -1.953 -8.753
501 HZ1 LYS 61 HZ1 LYS 61 -10.567 -3.251 -10.393
502 HZ2 LYS 61 HZ2 LYS 61 -11.348 -3.958 -9.065
503 HZ3 LYS 61 HZ3 LYS 61 -9.678 -4.169 -9.283
504 H ARG 62 HN ARG 62 -11.871 0.359 -2.813
505 HA ARG 62 HA ARG 62 -11.451 -0.993 -0.394
506 HB2 ARG 62 HB2 ARG 62 -12.795 1.661 -0.910
507 HB3 ARG 62 HB1 ARG 62 -12.339 1.075 0.683
508 HG2 ARG 62 HG2 ARG 62 -9.989 1.008 -0.042
509 HG3 ARG 62 HG1 ARG 62 -10.476 1.669 -1.603
510 HD2 ARG 62 HD2 ARG 62 -10.901 3.012 1.062
511 HD3 ARG 62 HD1 ARG 62 -9.601 3.386 -0.066
512 HE ARG 62 HE ARG 62 -11.333 4.111 -1.636
513 HH11 ARG 62 HH11 ARG 62 -12.173 3.838 1.747
514 HH12 ARG 62 HH12 ARG 62 -13.475 4.993 1.654
515 HH21 ARG 62 HH21 ARG 62 -13.034 5.680 -1.757
516 HH22 ARG 62 HH22 ARG 62 -13.969 6.025 -0.333
517 H GLU 63 HN GLU 63 -14.433 0.086 -1.951
518 HA GLU 63 HA GLU 63 -16.231 -0.754 0.024
519 HB2 GLU 63 HB2 GLU 63 -16.584 -0.509 -2.967
520 HB3 GLU 63 HB1 GLU 63 -17.905 -0.746 -1.832
521 HG2 GLU 63 HG2 GLU 63 -17.456 1.376 -0.789
522 HG3 GLU 63 HG1 GLU 63 -16.017 1.598 -1.782
523 H ILE 64 HN ILE 64 -14.825 -2.452 -2.731
524 HA ILE 64 HA ILE 64 -16.333 -4.825 -2.478
525 HB ILE 64 HB ILE 64 -13.612 -4.335 -3.694
526 HG12 ILE 64 HG12 ILE 64 -15.442 -3.202 -4.829
527 HG13 ILE 64 HG11 ILE 64 -14.851 -4.528 -5.822
528 HG21 ILE 64 HG21 ILE 64 -15.308 -6.828 -3.835
529 HG22 ILE 64 HG22 ILE 64 -13.743 -6.665 -3.038
530 HG23 ILE 64 HG23 ILE 64 -13.857 -6.520 -4.790
531 HD11 ILE 64 HD11 ILE 64 -17.269 -4.402 -5.874
532 HD12 ILE 64 HD12 ILE 64 -17.328 -4.572 -4.119
533 HD13 ILE 64 HD13 ILE 64 -16.735 -5.902 -5.115
534 H TYR 65 HN TYR 65 -13.167 -3.881 -1.163
535 HA TYR 65 HA TYR 65 -12.556 -6.334 0.062
536 HB2 TYR 65 HB2 TYR 65 -10.912 -4.527 -0.265
537 HB3 TYR 65 HB1 TYR 65 -11.748 -3.552 0.938
538 HD1 TYR 65 HD2 TYR 65 -9.755 -6.628 0.436
539 HD2 TYR 65 HD1 TYR 65 -11.351 -3.875 3.265
540 HE1 TYR 65 HE2 TYR 65 -8.372 -7.642 2.198
541 HE2 TYR 65 HE1 TYR 65 -9.968 -4.882 5.030
542 HH TYR 65 HH TYR 65 -8.873 -7.124 5.462
543 H ASP 66 HN ASP 66 -14.418 -3.564 1.150
544 HA ASP 66 HA ASP 66 -14.692 -4.296 3.858
545 HB2 ASP 66 HB2 ASP 66 -15.129 -2.038 3.078
546 HB3 ASP 66 HB1 ASP 66 -16.448 -2.605 2.070
547 H ARG 67 HN ARG 67 -16.808 -4.840 1.046
548 HA ARG 67 HA ARG 67 -18.751 -6.244 2.638
549 HB2 ARG 67 HB2 ARG 67 -19.913 -6.576 0.501
550 HB3 ARG 67 HB1 ARG 67 -19.464 -4.898 0.767
551 HG2 ARG 67 HG2 ARG 67 -17.365 -5.513 -0.633
552 HG3 ARG 67 HG1 ARG 67 -18.363 -6.864 -1.181
553 HD2 ARG 67 HD2 ARG 67 -19.104 -3.958 -1.302
554 HD3 ARG 67 HD1 ARG 67 -18.544 -4.925 -2.669
555 HE ARG 67 HE ARG 67 -20.711 -6.276 -1.633
556 HH11 ARG 67 HH11 ARG 67 -20.173 -3.080 -3.008
557 HH12 ARG 67 HH12 ARG 67 -21.781 -2.968 -3.656
558 HH21 ARG 67 HH21 ARG 67 -22.789 -6.120 -2.487
559 HH22 ARG 67 HH22 ARG 67 -23.275 -4.694 -3.352
560 H TYR 68 HN TYR 68 -16.013 -7.220 0.690
561 HA TYR 68 HA TYR 68 -17.040 -9.954 0.513
562 HB2 TYR 68 HB2 TYR 68 -15.984 -8.826 -1.472
563 HB3 TYR 68 HB1 TYR 68 -14.450 -8.860 -0.609
564 HD1 TYR 68 HD1 TYR 68 -17.111 -11.017 -2.035
565 HD2 TYR 68 HD2 TYR 68 -13.101 -10.805 -0.626
566 HE1 TYR 68 HE1 TYR 68 -16.695 -13.284 -2.891
567 HE2 TYR 68 HE2 TYR 68 -12.674 -13.068 -1.481
568 HH TYR 68 HH TYR 68 -14.168 -15.156 -1.964
569 H GLY 69 HN GLY 69 -15.195 -8.124 2.600
570 HA2 GLY 69 HA2 GLY 69 -13.123 -9.733 3.459
571 HA3 GLY 69 HA1 GLY 69 -14.068 -8.684 4.505
572 H ARG 70 HN ARG 70 -16.453 -9.777 4.594
573 HA ARG 70 HA ARG 70 -16.110 -11.906 6.418
574 HB2 ARG 70 HB2 ARG 70 -18.627 -10.866 5.118
575 HB3 ARG 70 HB1 ARG 70 -18.582 -11.973 6.483
576 HG2 ARG 70 HG2 ARG 70 -17.499 -9.165 6.450
577 HG3 ARG 70 HG1 ARG 70 -19.001 -9.695 7.212
578 HD2 ARG 70 HD2 ARG 70 -17.790 -11.082 8.757
579 HD3 ARG 70 HD1 ARG 70 -16.271 -10.757 7.926
580 HE ARG 70 HE ARG 70 -17.558 -8.373 8.880
581 HH11 ARG 70 HH11 ARG 70 -15.497 -11.066 9.813
582 HH12 ARG 70 HH12 ARG 70 -14.701 -10.170 11.078
583 HH21 ARG 70 HH21 ARG 70 -16.532 -7.213 10.558
584 HH22 ARG 70 HH22 ARG 70 -15.306 -7.993 11.513
585 H GLU 71 HN GLU 71 -16.791 -11.860 2.998
586 HA GLU 71 HA GLU 71 -17.705 -14.596 2.929
587 HB2 GLU 71 HB2 GLU 71 -17.040 -12.615 0.751
588 HB3 GLU 71 HB1 GLU 71 -17.549 -14.266 0.425
589 HG2 GLU 71 HG2 GLU 71 -19.162 -12.253 1.974
590 HG3 GLU 71 HG1 GLU 71 -19.373 -12.607 0.262
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -14.237 -1.736 8.984
2 H2 MET 1 HT2 MET 1 -13.498 -2.928 8.036
3 H3 MET 1 HT3 MET 1 -13.889 -1.428 7.348
4 HA MET 1 HA MET 1 -12.315 -0.318 8.777
5 HB2 MET 1 HB2 MET 1 -10.793 -1.582 10.183
6 HB3 MET 1 HB1 MET 1 -12.449 -1.932 10.654
7 HG2 MET 1 HG2 MET 1 -12.356 -4.050 9.456
8 HG3 MET 1 HG1 MET 1 -10.711 -3.693 8.936
9 HE1 MET 1 HE1 MET 1 -9.603 -2.277 11.584
10 HE2 MET 1 HE2 MET 1 -8.639 -3.455 10.695
11 HE3 MET 1 HE3 MET 1 -8.857 -3.627 12.438
12 H ALA 2 HN ALA 2 -10.457 0.227 7.743
13 HA ALA 2 HA ALA 2 -9.691 -1.553 5.527
14 HB1 ALA 2 HB1 ALA 2 -8.981 0.417 4.318
15 HB2 ALA 2 HB2 ALA 2 -9.357 1.436 5.708
16 HB3 ALA 2 HB3 ALA 2 -10.653 0.602 4.851
17 H SER 3 HN SER 3 -8.443 0.334 8.214
18 HA SER 3 HA SER 3 -6.378 0.642 9.082
19 HB2 SER 3 HB2 SER 3 -5.944 -2.041 7.758
20 HB3 SER 3 HB1 SER 3 -4.755 -1.276 8.814
21 HG SER 3 HG SER 3 -6.246 -1.336 10.492
22 H TYR 4 HN TYR 4 -7.007 1.790 6.547
23 HA TYR 4 HA TYR 4 -4.924 1.348 4.669
24 HB2 TYR 4 HB2 TYR 4 -6.533 2.231 3.394
25 HB3 TYR 4 HB1 TYR 4 -7.415 2.748 4.820
26 HD1 TYR 4 HD2 TYR 4 -4.638 3.840 2.566
27 HD2 TYR 4 HD1 TYR 4 -7.785 4.977 5.191
28 HE1 TYR 4 HE2 TYR 4 -4.323 6.191 1.920
29 HE2 TYR 4 HE1 TYR 4 -7.484 7.325 4.547
30 HH TYR 4 HH TYR 4 -5.474 8.251 1.894
31 H TYR 5 HN TYR 5 -5.518 3.852 7.095
32 HA TYR 5 HA TYR 5 -3.253 5.406 6.560
33 HB2 TYR 5 HB2 TYR 5 -3.477 6.285 8.812
34 HB3 TYR 5 HB1 TYR 5 -5.071 6.099 8.099
35 HD1 TYR 5 HD2 TYR 5 -6.411 3.989 8.759
36 HD2 TYR 5 HD1 TYR 5 -2.995 5.364 10.893
37 HE1 TYR 5 HE2 TYR 5 -7.121 2.690 10.724
38 HE2 TYR 5 HE1 TYR 5 -3.697 4.071 12.863
39 HH TYR 5 HH TYR 5 -6.073 1.667 12.723
40 H GLU 6 HN GLU 6 -3.629 2.378 8.247
41 HA GLU 6 HA GLU 6 -1.012 2.346 9.410
42 HB2 GLU 6 HB2 GLU 6 -2.602 -0.140 8.902
43 HB3 GLU 6 HB1 GLU 6 -1.553 0.250 10.258
44 HG2 GLU 6 HG2 GLU 6 -3.294 2.010 10.865
45 HG3 GLU 6 HG1 GLU 6 -4.340 1.191 9.718
46 H ILE 7 HN ILE 7 -2.495 0.969 6.505
47 HA ILE 7 HA ILE 7 -0.378 -0.851 6.012
48 HB ILE 7 HB ILE 7 -1.472 -1.167 3.779
49 HG12 ILE 7 HG12 ILE 7 -3.693 0.503 4.891
50 HG13 ILE 7 HG11 ILE 7 -2.419 1.246 3.941
51 HG21 ILE 7 HG21 ILE 7 -3.264 -2.424 4.668
52 HG22 ILE 7 HG22 ILE 7 -3.424 -1.344 6.053
53 HG23 ILE 7 HG23 ILE 7 -2.021 -2.413 5.925
54 HD11 ILE 7 HD11 ILE 7 -2.972 -0.402 2.129
55 HD12 ILE 7 HD12 ILE 7 -4.204 0.796 2.492
56 HD13 ILE 7 HD13 ILE 7 -4.386 -0.851 3.085
57 H LEU 8 HN LEU 8 -1.144 2.353 4.696
58 HA LEU 8 HA LEU 8 1.130 2.107 2.865
59 HB2 LEU 8 HB2 LEU 8 -0.639 4.527 3.141
60 HB3 LEU 8 HB1 LEU 8 0.345 4.050 1.773
61 HG LEU 8 HG LEU 8 -2.132 2.648 2.723
62 HD11 LEU 8 HD11 LEU 8 -3.141 3.515 0.670
63 HD12 LEU 8 HD12 LEU 8 -1.656 4.398 0.319
64 HD13 LEU 8 HD13 LEU 8 -2.615 4.817 1.737
65 HD21 LEU 8 HD21 LEU 8 -0.402 2.167 0.295
66 HD22 LEU 8 HD22 LEU 8 -1.935 1.368 0.633
67 HD23 LEU 8 HD23 LEU 8 -0.550 1.103 1.693
68 H ASP 9 HN ASP 9 -0.041 4.793 4.824
69 HA ASP 9 HA ASP 9 2.068 5.214 6.531
70 HB2 ASP 9 HB2 ASP 9 3.539 5.321 4.553
71 HB3 ASP 9 HB1 ASP 9 2.563 6.629 3.893
72 H VAL 10 HN VAL 10 -0.469 6.440 4.567
73 HA VAL 10 HA VAL 10 -0.519 8.952 6.104
74 HB VAL 10 HB VAL 10 -1.572 10.005 4.131
75 HG11 VAL 10 HG11 VAL 10 0.442 10.074 2.720
76 HG12 VAL 10 HG12 VAL 10 1.079 8.674 3.583
77 HG13 VAL 10 HG13 VAL 10 0.830 10.198 4.436
78 HG21 VAL 10 HG21 VAL 10 -0.951 7.396 2.745
79 HG22 VAL 10 HG22 VAL 10 -1.574 8.858 1.978
80 HG23 VAL 10 HG23 VAL 10 -2.564 7.987 3.149
81 HA PRO 11 HA PRO 11 -4.650 7.852 7.224
82 HB2 PRO 11 HB2 PRO 11 -5.355 10.114 8.434
83 HB3 PRO 11 HB1 PRO 11 -3.996 9.159 9.040
84 HG2 PRO 11 HG2 PRO 11 -3.983 11.681 7.450
85 HG3 PRO 11 HG1 PRO 11 -2.892 11.167 8.749
86 HD2 PRO 11 HD2 PRO 11 -2.408 10.968 5.988
87 HD3 PRO 11 HD1 PRO 11 -1.486 10.169 7.275
88 H ARG 12 HN ARG 12 -6.886 9.098 7.356
89 HA ARG 12 HA ARG 12 -7.863 8.770 4.754
90 HB2 ARG 12 HB2 ARG 12 -9.294 10.092 7.054
91 HB3 ARG 12 HB1 ARG 12 -10.028 9.298 5.668
92 HG2 ARG 12 HG2 ARG 12 -9.291 7.157 6.411
93 HG3 ARG 12 HG1 ARG 12 -8.298 7.889 7.679
94 HD2 ARG 12 HD2 ARG 12 -11.311 7.950 7.489
95 HD3 ARG 12 HD1 ARG 12 -10.350 7.015 8.635
96 HE ARG 12 HE ARG 12 -9.531 9.304 9.408
97 HH11 ARG 12 HH11 ARG 12 -12.738 8.663 8.177
98 HH12 ARG 12 HH12 ARG 12 -13.461 10.043 8.949
99 HH21 ARG 12 HH21 ARG 12 -10.465 11.121 10.456
100 HH22 ARG 12 HH22 ARG 12 -12.164 11.446 10.251
101 H SER 13 HN SER 13 -6.596 11.592 6.181
102 HA SER 13 HA SER 13 -8.211 13.434 4.660
103 HB2 SER 13 HB2 SER 13 -6.371 15.064 5.576
104 HB3 SER 13 HB1 SER 13 -7.583 14.389 6.663
105 HG SER 13 HG SER 13 -4.858 13.974 6.567
106 H ALA 14 HN ALA 14 -5.622 11.485 3.879
107 HA ALA 14 HA ALA 14 -4.283 13.288 2.091
108 HB1 ALA 14 HB1 ALA 14 -3.038 11.533 3.179
109 HB2 ALA 14 HB2 ALA 14 -3.044 11.261 1.441
110 HB3 ALA 14 HB3 ALA 14 -4.094 10.308 2.479
111 H SER 15 HN SER 15 -4.620 13.553 -0.028
112 HA SER 15 HA SER 15 -6.988 12.427 -1.232
113 HB2 SER 15 HB2 SER 15 -6.246 14.817 -1.558
114 HB3 SER 15 HB1 SER 15 -4.905 14.202 -2.524
115 HG SER 15 HG SER 15 -6.221 14.020 -4.141
116 H ALA 16 HN ALA 16 -6.813 11.627 -3.545
117 HA ALA 16 HA ALA 16 -5.699 9.102 -3.427
118 HB1 ALA 16 HB1 ALA 16 -6.395 10.638 -5.922
119 HB2 ALA 16 HB2 ALA 16 -7.521 9.710 -4.931
120 HB3 ALA 16 HB3 ALA 16 -6.219 8.888 -5.790
121 H ASP 17 HN ASP 17 -4.358 11.974 -5.047
122 HA ASP 17 HA ASP 17 -2.129 10.636 -6.161
123 HB2 ASP 17 HB2 ASP 17 -2.928 13.462 -5.794
124 HB3 ASP 17 HB1 ASP 17 -1.202 13.162 -5.984
125 H ASP 18 HN ASP 18 -2.667 12.113 -3.035
126 HA ASP 18 HA ASP 18 0.049 12.113 -2.205
127 HB2 ASP 18 HB2 ASP 18 -1.915 13.376 -1.133
128 HB3 ASP 18 HB1 ASP 18 -2.303 11.851 -0.340
129 H ILE 19 HN ILE 19 -2.622 9.808 -1.847
130 HA ILE 19 HA ILE 19 -1.237 7.797 -0.458
131 HB ILE 19 HB ILE 19 -3.596 7.763 -2.304
132 HG12 ILE 19 HG12 ILE 19 -4.546 6.660 -0.159
133 HG13 ILE 19 HG11 ILE 19 -3.096 7.301 0.606
134 HG21 ILE 19 HG21 ILE 19 -2.359 5.707 -2.827
135 HG22 ILE 19 HG22 ILE 19 -3.896 5.385 -2.025
136 HG23 ILE 19 HG23 ILE 19 -2.390 5.274 -1.115
137 HD11 ILE 19 HD11 ILE 19 -5.389 8.748 -0.609
138 HD12 ILE 19 HD12 ILE 19 -3.806 9.510 -0.500
139 HD13 ILE 19 HD13 ILE 19 -4.626 8.968 0.969
140 H LYS 20 HN LYS 20 -1.537 8.481 -3.900
141 HA LYS 20 HA LYS 20 -0.098 6.366 -4.979
142 HB2 LYS 20 HB2 LYS 20 -1.343 8.009 -6.308
143 HB3 LYS 20 HB1 LYS 20 -0.193 9.257 -5.860
144 HG2 LYS 20 HG2 LYS 20 1.576 7.928 -7.023
145 HG3 LYS 20 HG1 LYS 20 0.295 6.859 -7.605
146 HD2 LYS 20 HD2 LYS 20 0.486 9.829 -8.102
147 HD3 LYS 20 HD1 LYS 20 0.855 8.558 -9.269
148 HE2 LYS 20 HE2 LYS 20 -1.421 7.830 -9.296
149 HE3 LYS 20 HE1 LYS 20 -1.833 8.898 -7.954
150 HZ1 LYS 20 HZ1 LYS 20 -1.523 10.797 -9.315
151 HZ2 LYS 20 HZ2 LYS 20 -2.499 9.719 -10.197
152 HZ3 LYS 20 HZ3 LYS 20 -0.854 9.878 -10.574
153 H LYS 21 HN LYS 21 1.037 9.470 -3.712
154 HA LYS 21 HA LYS 21 3.786 8.977 -4.219
155 HB2 LYS 21 HB2 LYS 21 2.426 10.891 -2.323
156 HB3 LYS 21 HB1 LYS 21 4.163 10.848 -2.584
157 HG2 LYS 21 HG2 LYS 21 2.040 11.512 -4.607
158 HG3 LYS 21 HG1 LYS 21 3.224 12.609 -3.898
159 HD2 LYS 21 HD2 LYS 21 3.752 10.313 -5.781
160 HD3 LYS 21 HD1 LYS 21 3.955 12.033 -6.109
161 HE2 LYS 21 HE2 LYS 21 5.551 10.335 -4.199
162 HE3 LYS 21 HE1 LYS 21 6.106 11.027 -5.722
163 HZ1 LYS 21 HZ1 LYS 21 5.801 13.247 -4.785
164 HZ2 LYS 21 HZ2 LYS 21 6.891 12.330 -3.861
165 HZ3 LYS 21 HZ3 LYS 21 5.309 12.572 -3.305
166 H ALA 22 HN ALA 22 1.676 8.360 -1.467
167 HA ALA 22 HA ALA 22 3.638 7.639 0.403
168 HB1 ALA 22 HB1 ALA 22 0.856 6.500 0.139
169 HB2 ALA 22 HB2 ALA 22 1.264 8.004 0.963
170 HB3 ALA 22 HB3 ALA 22 1.872 6.468 1.580
171 H TYR 23 HN TYR 23 1.917 5.716 -2.019
172 HA TYR 23 HA TYR 23 3.172 3.260 -1.478
173 HB2 TYR 23 HB2 TYR 23 1.336 2.971 -2.811
174 HB3 TYR 23 HB1 TYR 23 1.634 4.440 -3.736
175 HD1 TYR 23 HD2 TYR 23 2.828 0.933 -3.296
176 HD2 TYR 23 HD1 TYR 23 2.580 4.309 -5.872
177 HE1 TYR 23 HE2 TYR 23 3.691 -0.427 -5.150
178 HE2 TYR 23 HE1 TYR 23 3.437 2.955 -7.736
179 HH TYR 23 HH TYR 23 3.741 -0.473 -7.528
180 H ARG 24 HN ARG 24 4.052 5.917 -3.648
181 HA ARG 24 HA ARG 24 6.274 4.588 -4.798
182 HB2 ARG 24 HB2 ARG 24 5.434 7.482 -4.686
183 HB3 ARG 24 HB1 ARG 24 6.962 6.994 -5.413
184 HG2 ARG 24 HG2 ARG 24 5.861 5.716 -7.076
185 HG3 ARG 24 HG1 ARG 24 4.306 5.868 -6.250
186 HD2 ARG 24 HD2 ARG 24 4.452 7.392 -8.155
187 HD3 ARG 24 HD1 ARG 24 4.323 8.257 -6.621
188 HE ARG 24 HE ARG 24 7.035 8.000 -7.231
189 HH11 ARG 24 HH11 ARG 24 4.216 9.535 -8.627
190 HH12 ARG 24 HH12 ARG 24 5.085 10.941 -9.169
191 HH21 ARG 24 HH21 ARG 24 8.192 9.846 -7.938
192 HH22 ARG 24 HH22 ARG 24 7.345 11.116 -8.774
193 H ARG 25 HN ARG 25 6.044 6.899 -2.080
194 HA ARG 25 HA ARG 25 8.850 7.092 -1.729
195 HB2 ARG 25 HB2 ARG 25 8.387 8.117 0.416
196 HB3 ARG 25 HB1 ARG 25 7.279 8.749 -0.791
197 HG2 ARG 25 HG2 ARG 25 5.457 7.610 0.108
198 HG3 ARG 25 HG1 ARG 25 6.482 6.490 1.007
199 HD2 ARG 25 HD2 ARG 25 6.150 9.439 1.558
200 HD3 ARG 25 HD1 ARG 25 5.462 8.118 2.505
201 HE ARG 25 HE ARG 25 8.299 7.894 2.273
202 HH11 ARG 25 HH11 ARG 25 5.765 9.569 4.041
203 HH12 ARG 25 HH12 ARG 25 6.767 9.853 5.435
204 HH21 ARG 25 HH21 ARG 25 9.587 8.252 4.071
205 HH22 ARG 25 HH22 ARG 25 8.968 9.126 5.439
206 H LYS 26 HN LYS 26 6.429 4.896 -0.510
207 HA LYS 26 HA LYS 26 8.082 3.532 1.360
208 HB2 LYS 26 HB2 LYS 26 5.586 3.501 1.314
209 HB3 LYS 26 HB1 LYS 26 5.659 2.557 -0.165
210 HG2 LYS 26 HG2 LYS 26 6.859 0.790 1.095
211 HG3 LYS 26 HG1 LYS 26 6.579 1.721 2.572
212 HD2 LYS 26 HD2 LYS 26 4.111 1.710 1.816
213 HD3 LYS 26 HD1 LYS 26 4.598 0.373 0.781
214 HE2 LYS 26 HE2 LYS 26 3.717 -0.514 2.833
215 HE3 LYS 26 HE1 LYS 26 5.453 -0.813 2.768
216 HZ1 LYS 26 HZ1 LYS 26 5.862 0.899 4.317
217 HZ2 LYS 26 HZ2 LYS 26 4.569 0.003 4.950
218 HZ3 LYS 26 HZ3 LYS 26 4.280 1.498 4.209
219 H ALA 27 HN ALA 27 7.116 2.952 -1.980
220 HA ALA 27 HA ALA 27 8.547 0.638 -2.524
221 HB1 ALA 27 HB1 ALA 27 8.214 2.872 -4.505
222 HB2 ALA 27 HB2 ALA 27 6.866 1.862 -3.993
223 HB3 ALA 27 HB3 ALA 27 8.253 1.134 -4.809
224 H LEU 28 HN LEU 28 9.591 4.020 -2.853
225 HA LEU 28 HA LEU 28 12.145 3.478 -3.898
226 HB2 LEU 28 HB2 LEU 28 10.792 5.807 -2.676
227 HB3 LEU 28 HB1 LEU 28 12.543 5.835 -2.651
228 HG LEU 28 HG LEU 28 12.641 5.708 -5.061
229 HD11 LEU 28 HD11 LEU 28 10.574 5.776 -6.416
230 HD12 LEU 28 HD12 LEU 28 9.640 5.475 -4.949
231 HD13 LEU 28 HD13 LEU 28 10.779 4.263 -5.534
232 HD21 LEU 28 HD21 LEU 28 12.369 7.913 -4.066
233 HD22 LEU 28 HD22 LEU 28 10.615 7.749 -4.161
234 HD23 LEU 28 HD23 LEU 28 11.576 7.824 -5.639
235 H GLN 29 HN GLN 29 10.981 3.768 -0.593
236 HA GLN 29 HA GLN 29 13.467 3.822 0.716
237 HB2 GLN 29 HB2 GLN 29 11.330 4.405 1.789
238 HB3 GLN 29 HB1 GLN 29 10.815 2.730 1.679
239 HG2 GLN 29 HG2 GLN 29 11.541 3.246 3.919
240 HG3 GLN 29 HG1 GLN 29 12.628 2.075 3.179
241 HE21 GLN 29 HE21 GLN 29 12.266 5.356 4.294
242 HE22 GLN 29 HE22 GLN 29 13.958 5.744 4.293
243 H TRP 30 HN TRP 30 11.605 1.189 -0.637
244 HA TRP 30 HA TRP 30 13.523 -0.708 0.522
245 HB2 TRP 30 HB2 TRP 30 10.764 -1.249 -0.591
246 HB3 TRP 30 HB1 TRP 30 11.848 -2.456 0.105
247 HD1 TRP 30 HD1 TRP 30 8.960 -0.540 1.084
248 HE1 TRP 30 HE1 TRP 30 8.818 -0.217 3.639
249 HE3 TRP 30 HE3 TRP 30 13.736 -1.870 2.324
250 HZ2 TRP 30 HZ2 TRP 30 10.521 -0.499 5.878
251 HZ3 TRP 30 HZ3 TRP 30 14.402 -1.814 4.692
252 HH2 TRP 30 HH2 TRP 30 12.825 -1.142 6.433
253 H HIS 31 HN HIS 31 13.551 1.018 -2.050
254 HA HIS 31 HA HIS 31 14.073 -1.034 -4.029
255 HB2 HIS 31 HB2 HIS 31 14.311 1.964 -3.985
256 HB3 HIS 31 HB1 HIS 31 15.121 1.039 -5.245
257 HD1 HIS 31 HD1 HIS 31 12.968 2.948 -6.124
258 HD2 HIS 31 HD2 HIS 31 12.208 -1.010 -5.090
259 HE1 HIS 31 HE1 HIS 31 10.809 2.342 -7.272
260 HE2 HIS 31 HE2 HIS 31 10.517 -0.125 -6.833
261 HA PRO 32 HA PRO 32 18.174 -2.146 -3.031
262 HB2 PRO 32 HB2 PRO 32 19.443 -1.872 -5.481
263 HB3 PRO 32 HB1 PRO 32 18.499 -3.275 -4.972
264 HG2 PRO 32 HG2 PRO 32 17.676 -0.945 -6.652
265 HG3 PRO 32 HG1 PRO 32 17.299 -2.663 -6.858
266 HD2 PRO 32 HD2 PRO 32 15.489 -0.996 -5.854
267 HD3 PRO 32 HD1 PRO 32 15.674 -2.631 -5.183
268 H ASP 33 HN ASP 33 17.766 0.841 -4.788
269 HA ASP 33 HA ASP 33 20.284 1.991 -4.350
270 HB2 ASP 33 HB2 ASP 33 18.707 2.926 -5.935
271 HB3 ASP 33 HB1 ASP 33 17.560 3.265 -4.645
272 H LYS 34 HN LYS 34 17.450 1.749 -2.280
273 HA LYS 34 HA LYS 34 18.799 3.369 -0.227
274 HB2 LYS 34 HB2 LYS 34 16.205 3.492 -1.211
275 HB3 LYS 34 HB1 LYS 34 16.029 2.656 0.327
276 HG2 LYS 34 HG2 LYS 34 15.742 5.001 0.689
277 HG3 LYS 34 HG1 LYS 34 17.272 4.506 1.414
278 HD2 LYS 34 HD2 LYS 34 17.725 6.534 0.289
279 HD3 LYS 34 HD1 LYS 34 18.378 5.256 -0.740
280 HE2 LYS 34 HE2 LYS 34 16.278 5.340 -2.070
281 HE3 LYS 34 HE1 LYS 34 15.770 6.725 -1.104
282 HZ1 LYS 34 HZ1 LYS 34 16.731 7.605 -3.040
283 HZ2 LYS 34 HZ2 LYS 34 18.053 6.544 -2.982
284 HZ3 LYS 34 HZ3 LYS 34 17.918 7.795 -1.842
285 H ASN 35 HN ASN 35 17.377 0.254 -0.886
286 HA ASN 35 HA ASN 35 17.993 -0.669 1.835
287 HB2 ASN 35 HB2 ASN 35 15.721 -1.137 1.232
288 HB3 ASN 35 HB1 ASN 35 16.196 -1.765 -0.340
289 HD21 ASN 35 HD21 ASN 35 16.958 -3.829 -0.511
290 HD22 ASN 35 HD22 ASN 35 16.824 -4.985 0.771
291 HA PRO 36 HA PRO 36 21.668 -2.354 0.264
292 HB2 PRO 36 HB2 PRO 36 22.338 -4.103 2.199
293 HB3 PRO 36 HB1 PRO 36 22.331 -2.353 2.465
294 HG2 PRO 36 HG2 PRO 36 20.218 -4.377 3.132
295 HG3 PRO 36 HG1 PRO 36 20.892 -3.097 4.165
296 HD2 PRO 36 HD2 PRO 36 18.547 -2.786 2.880
297 HD3 PRO 36 HD1 PRO 36 19.668 -1.429 3.115
298 H ASP 37 HN ASP 37 21.682 -5.370 1.657
299 HA ASP 37 HA ASP 37 21.643 -6.449 -1.060
300 HB2 ASP 37 HB2 ASP 37 23.682 -6.661 0.324
301 HB3 ASP 37 HB1 ASP 37 22.778 -7.655 1.454
302 H ASN 38 HN ASN 38 19.583 -6.414 1.568
303 HA ASN 38 HA ASN 38 18.576 -9.115 1.077
304 HB2 ASN 38 HB2 ASN 38 18.812 -8.222 3.421
305 HB3 ASN 38 HB1 ASN 38 17.539 -7.066 3.048
306 HD21 ASN 38 HD21 ASN 38 17.666 -9.209 5.028
307 HD22 ASN 38 HD22 ASN 38 16.294 -10.222 4.713
308 H LYS 39 HN LYS 39 17.418 -9.211 -0.728
309 HA LYS 39 HA LYS 39 15.816 -6.906 -1.535
310 HB2 LYS 39 HB2 LYS 39 16.448 -9.425 -3.081
311 HB3 LYS 39 HB1 LYS 39 15.715 -7.963 -3.723
312 HG2 LYS 39 HG2 LYS 39 18.506 -8.157 -2.605
313 HG3 LYS 39 HG1 LYS 39 18.085 -8.182 -4.318
314 HD2 LYS 39 HD2 LYS 39 17.174 -5.943 -4.162
315 HD3 LYS 39 HD1 LYS 39 17.465 -5.919 -2.422
316 HE2 LYS 39 HE2 LYS 39 19.194 -4.675 -3.576
317 HE3 LYS 39 HE1 LYS 39 19.876 -6.120 -2.835
318 HZ1 LYS 39 HZ1 LYS 39 19.714 -7.209 -5.039
319 HZ2 LYS 39 HZ2 LYS 39 20.770 -5.882 -5.013
320 HZ3 LYS 39 HZ3 LYS 39 19.231 -5.727 -5.707
321 H GLU 40 HN GLU 40 15.500 -10.135 -0.351
322 HA GLU 40 HA GLU 40 13.004 -10.851 -1.391
323 HB2 GLU 40 HB2 GLU 40 14.552 -12.388 -0.217
324 HB3 GLU 40 HB1 GLU 40 14.164 -11.593 1.300
325 HG2 GLU 40 HG2 GLU 40 11.768 -12.248 0.901
326 HG3 GLU 40 HG1 GLU 40 12.348 -13.242 -0.435
327 H PHE 41 HN PHE 41 13.803 -9.234 1.667
328 HA PHE 41 HA PHE 41 11.072 -8.927 2.429
329 HB2 PHE 41 HB2 PHE 41 13.591 -7.627 3.462
330 HB3 PHE 41 HB1 PHE 41 11.996 -7.335 4.143
331 HD1 PHE 41 HD1 PHE 41 10.878 -10.091 3.952
332 HD2 PHE 41 HD2 PHE 41 14.683 -8.686 5.230
333 HE1 PHE 41 HE1 PHE 41 11.116 -12.065 5.397
334 HE2 PHE 41 HE2 PHE 41 14.933 -10.660 6.675
335 HZ PHE 41 HZ PHE 41 13.146 -12.355 6.759
336 H ALA 42 HN ALA 42 13.413 -6.900 0.772
337 HA ALA 42 HA ALA 42 11.999 -4.475 0.919
338 HB1 ALA 42 HB1 ALA 42 14.065 -5.500 -1.009
339 HB2 ALA 42 HB2 ALA 42 14.282 -4.371 0.331
340 HB3 ALA 42 HB3 ALA 42 13.395 -3.872 -1.108
341 H GLU 43 HN GLU 43 12.051 -6.997 -1.603
342 HA GLU 43 HA GLU 43 10.140 -5.657 -3.228
343 HB2 GLU 43 HB2 GLU 43 9.993 -7.706 -4.519
344 HB3 GLU 43 HB1 GLU 43 11.672 -7.306 -4.190
345 HG2 GLU 43 HG2 GLU 43 11.983 -9.110 -2.842
346 HG3 GLU 43 HG1 GLU 43 10.293 -9.165 -2.341
347 H LYS 44 HN LYS 44 9.934 -8.076 -0.680
348 HA LYS 44 HA LYS 44 7.239 -8.753 -0.955
349 HB2 LYS 44 HB2 LYS 44 9.237 -8.880 1.207
350 HB3 LYS 44 HB1 LYS 44 7.565 -8.836 1.742
351 HG2 LYS 44 HG2 LYS 44 8.763 -10.833 -0.166
352 HG3 LYS 44 HG1 LYS 44 8.347 -11.119 1.525
353 HD2 LYS 44 HD2 LYS 44 6.439 -10.458 -0.721
354 HD3 LYS 44 HD1 LYS 44 6.605 -12.010 0.101
355 HE2 LYS 44 HE2 LYS 44 5.884 -10.961 2.203
356 HE3 LYS 44 HE1 LYS 44 5.700 -9.421 1.365
357 HZ1 LYS 44 HZ1 LYS 44 4.105 -10.704 -0.141
358 HZ2 LYS 44 HZ2 LYS 44 3.568 -10.294 1.412
359 HZ3 LYS 44 HZ3 LYS 44 4.083 -11.878 1.081
360 H LYS 45 HN LYS 45 8.756 -6.084 0.837
361 HA LYS 45 HA LYS 45 6.328 -5.095 1.928
362 HB2 LYS 45 HB2 LYS 45 8.957 -3.685 1.434
363 HB3 LYS 45 HB1 LYS 45 7.627 -3.032 2.385
364 HG2 LYS 45 HG2 LYS 45 9.321 -5.436 2.990
365 HG3 LYS 45 HG1 LYS 45 9.178 -3.944 3.919
366 HD2 LYS 45 HD2 LYS 45 6.833 -4.498 4.393
367 HD3 LYS 45 HD1 LYS 45 7.023 -5.989 3.481
368 HE2 LYS 45 HE2 LYS 45 7.194 -6.376 5.888
369 HE3 LYS 45 HE1 LYS 45 8.686 -6.776 5.045
370 HZ1 LYS 45 HZ1 LYS 45 8.173 -4.271 6.556
371 HZ2 LYS 45 HZ2 LYS 45 9.615 -4.662 5.751
372 HZ3 LYS 45 HZ3 LYS 45 9.118 -5.574 7.088
373 H PHE 46 HN PHE 46 8.123 -4.474 -1.015
374 HA PHE 46 HA PHE 46 6.519 -2.384 -2.016
375 HB2 PHE 46 HB2 PHE 46 8.685 -2.889 -3.004
376 HB3 PHE 46 HB1 PHE 46 8.125 -4.488 -3.487
377 HD1 PHE 46 HD1 PHE 46 7.522 -0.865 -4.015
378 HD2 PHE 46 HD2 PHE 46 7.114 -4.809 -5.561
379 HE1 PHE 46 HE1 PHE 46 6.769 0.060 -6.167
380 HE2 PHE 46 HE2 PHE 46 6.355 -3.891 -7.712
381 HZ PHE 46 HZ PHE 46 6.182 -1.456 -8.017
382 H LYS 47 HN LYS 47 6.278 -5.906 -2.276
383 HA LYS 47 HA LYS 47 3.990 -5.934 -3.940
384 HB2 LYS 47 HB2 LYS 47 5.159 -7.963 -2.048
385 HB3 LYS 47 HB1 LYS 47 3.684 -8.276 -2.949
386 HG2 LYS 47 HG2 LYS 47 4.920 -7.918 -5.052
387 HG3 LYS 47 HG1 LYS 47 6.397 -7.680 -4.114
388 HD2 LYS 47 HD2 LYS 47 6.354 -9.915 -3.315
389 HD3 LYS 47 HD1 LYS 47 4.719 -10.174 -3.923
390 HE2 LYS 47 HE2 LYS 47 6.261 -11.282 -5.385
391 HE3 LYS 47 HE1 LYS 47 5.592 -9.889 -6.231
392 HZ1 LYS 47 HZ1 LYS 47 8.259 -10.002 -4.915
393 HZ2 LYS 47 HZ2 LYS 47 7.620 -8.663 -5.747
394 HZ3 LYS 47 HZ3 LYS 47 7.970 -10.095 -6.582
395 H GLU 48 HN GLU 48 4.407 -5.786 -0.441
396 HA GLU 48 HA GLU 48 1.734 -6.272 0.296
397 HB2 GLU 48 HB2 GLU 48 3.819 -4.575 1.684
398 HB3 GLU 48 HB1 GLU 48 2.316 -5.111 2.412
399 HG2 GLU 48 HG2 GLU 48 4.464 -6.963 1.416
400 HG3 GLU 48 HG1 GLU 48 4.316 -6.414 3.082
401 H VAL 49 HN VAL 49 3.465 -3.236 -0.378
402 HA VAL 49 HA VAL 49 1.130 -1.650 0.024
403 HB VAL 49 HB VAL 49 3.191 -0.519 0.349
404 HG11 VAL 49 HG11 VAL 49 4.831 -0.137 -1.401
405 HG12 VAL 49 HG12 VAL 49 3.887 -1.151 -2.483
406 HG13 VAL 49 HG13 VAL 49 4.634 -1.856 -1.055
407 HG21 VAL 49 HG21 VAL 49 2.840 1.459 -0.835
408 HG22 VAL 49 HG22 VAL 49 1.254 0.686 -0.789
409 HG23 VAL 49 HG23 VAL 49 2.232 0.600 -2.248
410 H ALA 50 HN ALA 50 2.627 -3.153 -2.806
411 HA ALA 50 HA ALA 50 1.263 -1.752 -4.789
412 HB1 ALA 50 HB1 ALA 50 1.968 -4.678 -4.898
413 HB2 ALA 50 HB2 ALA 50 3.121 -3.370 -5.148
414 HB3 ALA 50 HB3 ALA 50 1.766 -3.574 -6.259
415 H GLU 51 HN GLU 51 0.260 -4.681 -3.037
416 HA GLU 51 HA GLU 51 -2.224 -4.899 -4.433
417 HB2 GLU 51 HB2 GLU 51 -2.784 -6.584 -2.716
418 HB3 GLU 51 HB1 GLU 51 -1.216 -6.865 -3.458
419 HG2 GLU 51 HG2 GLU 51 -0.157 -5.790 -1.485
420 HG3 GLU 51 HG1 GLU 51 -1.750 -5.689 -0.741
421 H ALA 52 HN ALA 52 -1.244 -3.572 -1.314
422 HA ALA 52 HA ALA 52 -3.885 -3.040 -0.408
423 HB1 ALA 52 HB1 ALA 52 -1.800 -3.387 0.969
424 HB2 ALA 52 HB2 ALA 52 -2.862 -2.062 1.468
425 HB3 ALA 52 HB3 ALA 52 -1.377 -1.717 0.578
426 H TYR 53 HN TYR 53 -1.455 -1.153 -2.093
427 HA TYR 53 HA TYR 53 -2.900 1.298 -2.024
428 HB2 TYR 53 HB2 TYR 53 -0.610 1.564 -2.396
429 HB3 TYR 53 HB1 TYR 53 -0.542 0.276 -3.585
430 HD1 TYR 53 HD2 TYR 53 -1.737 3.744 -3.021
431 HD2 TYR 53 HD1 TYR 53 -0.731 0.770 -5.889
432 HE1 TYR 53 HE2 TYR 53 -1.885 5.425 -4.808
433 HE2 TYR 53 HE1 TYR 53 -0.873 2.444 -7.684
434 HH TYR 53 HH TYR 53 -1.982 4.634 -8.088
435 H GLU 54 HN GLU 54 -2.782 -1.463 -4.185
436 HA GLU 54 HA GLU 54 -4.234 -0.407 -6.333
437 HB2 GLU 54 HB2 GLU 54 -3.177 -2.459 -6.714
438 HB3 GLU 54 HB1 GLU 54 -3.834 -3.178 -5.254
439 HG2 GLU 54 HG2 GLU 54 -4.803 -4.111 -7.301
440 HG3 GLU 54 HG1 GLU 54 -6.008 -3.359 -6.262
441 H VAL 55 HN VAL 55 -5.425 -2.184 -3.466
442 HA VAL 55 HA VAL 55 -8.144 -1.994 -4.211
443 HB VAL 55 HB VAL 55 -7.444 -3.670 -2.597
444 HG11 VAL 55 HG11 VAL 55 -6.887 -3.070 -0.280
445 HG12 VAL 55 HG12 VAL 55 -6.873 -1.367 -0.741
446 HG13 VAL 55 HG13 VAL 55 -5.691 -2.480 -1.434
447 HG21 VAL 55 HG21 VAL 55 -9.207 -3.383 -0.929
448 HG22 VAL 55 HG22 VAL 55 -9.764 -2.945 -2.545
449 HG23 VAL 55 HG23 VAL 55 -9.356 -1.686 -1.380
450 H LEU 56 HN LEU 56 -6.057 0.082 -2.265
451 HA LEU 56 HA LEU 56 -8.140 1.866 -1.468
452 HB2 LEU 56 HB2 LEU 56 -5.755 1.394 -0.472
453 HB3 LEU 56 HB1 LEU 56 -5.262 2.662 -1.574
454 HG LEU 56 HG LEU 56 -5.744 3.329 0.827
455 HD11 LEU 56 HD11 LEU 56 -7.252 4.758 -1.350
456 HD12 LEU 56 HD12 LEU 56 -5.548 4.975 -0.948
457 HD13 LEU 56 HD13 LEU 56 -6.794 5.439 0.211
458 HD21 LEU 56 HD21 LEU 56 -8.129 3.792 1.330
459 HD22 LEU 56 HD22 LEU 56 -7.727 2.076 1.251
460 HD23 LEU 56 HD23 LEU 56 -8.563 2.849 -0.097
461 H SER 57 HN SER 57 -6.405 1.434 -4.349
462 HA SER 57 HA SER 57 -6.332 4.172 -5.196
463 HB2 SER 57 HB2 SER 57 -4.625 2.578 -5.925
464 HB3 SER 57 HB1 SER 57 -5.855 1.585 -6.699
465 HG SER 57 HG SER 57 -5.238 2.731 -8.362
466 H ASP 58 HN ASP 58 -8.609 1.596 -5.354
467 HA ASP 58 HA ASP 58 -10.199 3.112 -7.323
468 HB2 ASP 58 HB2 ASP 58 -9.590 0.825 -8.064
469 HB3 ASP 58 HB1 ASP 58 -10.401 0.167 -6.646
470 H LYS 59 HN LYS 59 -12.027 4.002 -6.644
471 HA LYS 59 HA LYS 59 -12.532 4.105 -3.856
472 HB2 LYS 59 HB2 LYS 59 -13.988 5.823 -4.335
473 HB3 LYS 59 HB1 LYS 59 -12.992 5.814 -5.775
474 HG2 LYS 59 HG2 LYS 59 -15.593 4.349 -5.689
475 HG3 LYS 59 HG1 LYS 59 -15.499 6.064 -6.084
476 HD2 LYS 59 HD2 LYS 59 -13.938 5.525 -7.918
477 HD3 LYS 59 HD1 LYS 59 -14.117 3.811 -7.541
478 HE2 LYS 59 HE2 LYS 59 -16.505 3.948 -8.031
479 HE3 LYS 59 HE1 LYS 59 -16.341 5.667 -8.385
480 HZ1 LYS 59 HZ1 LYS 59 -16.355 4.388 -10.416
481 HZ2 LYS 59 HZ2 LYS 59 -15.054 3.441 -9.879
482 HZ3 LYS 59 HZ3 LYS 59 -14.826 5.091 -10.202
483 H HIS 60 HN HIS 60 -14.041 2.445 -6.509
484 HA HIS 60 HA HIS 60 -16.250 1.425 -5.021
485 HB2 HIS 60 HB2 HIS 60 -16.177 1.592 -7.527
486 HB3 HIS 60 HB1 HIS 60 -15.043 0.245 -7.532
487 HD1 HIS 60 HD1 HIS 60 -18.345 0.709 -5.681
488 HD2 HIS 60 HD2 HIS 60 -16.475 -1.907 -8.330
489 HE1 HIS 60 HE1 HIS 60 -19.984 -1.159 -6.068
490 HE2 HIS 60 HE2 HIS 60 -18.795 -2.790 -7.577
491 H LYS 61 HN LYS 61 -13.062 0.179 -5.867
492 HA LYS 61 HA LYS 61 -13.325 -2.374 -4.732
493 HB2 LYS 61 HB2 LYS 61 -11.467 -1.520 -6.227
494 HB3 LYS 61 HB1 LYS 61 -10.795 -0.744 -4.804
495 HG2 LYS 61 HG2 LYS 61 -9.627 -2.773 -5.087
496 HG3 LYS 61 HG1 LYS 61 -10.725 -3.005 -3.727
497 HD2 LYS 61 HD2 LYS 61 -10.747 -4.952 -5.185
498 HD3 LYS 61 HD1 LYS 61 -12.314 -4.139 -5.209
499 HE2 LYS 61 HE2 LYS 61 -11.645 -4.778 -7.458
500 HE3 LYS 61 HE1 LYS 61 -11.695 -3.023 -7.292
501 HZ1 LYS 61 HZ1 LYS 61 -9.271 -3.070 -6.955
502 HZ2 LYS 61 HZ2 LYS 61 -9.730 -3.643 -8.477
503 HZ3 LYS 61 HZ3 LYS 61 -9.271 -4.735 -7.263
504 H ARG 62 HN ARG 62 -12.465 0.732 -3.333
505 HA ARG 62 HA ARG 62 -11.566 -0.104 -0.829
506 HB2 ARG 62 HB2 ARG 62 -12.954 2.407 -1.738
507 HB3 ARG 62 HB1 ARG 62 -12.437 2.190 -0.074
508 HG2 ARG 62 HG2 ARG 62 -10.134 1.980 -0.782
509 HG3 ARG 62 HG1 ARG 62 -10.622 2.088 -2.475
510 HD2 ARG 62 HD2 ARG 62 -9.736 4.219 -1.522
511 HD3 ARG 62 HD1 ARG 62 -11.362 4.343 -2.193
512 HE ARG 62 HE ARG 62 -11.968 3.932 0.340
513 HH11 ARG 62 HH11 ARG 62 -9.417 5.953 -0.959
514 HH12 ARG 62 HH12 ARG 62 -9.489 7.109 0.338
515 HH21 ARG 62 HH21 ARG 62 -12.100 5.459 2.022
516 HH22 ARG 62 HH22 ARG 62 -11.049 6.839 2.027
517 H GLU 63 HN GLU 63 -14.876 0.674 -1.893
518 HA GLU 63 HA GLU 63 -15.990 0.236 0.697
519 HB2 GLU 63 HB2 GLU 63 -18.145 0.520 -0.336
520 HB3 GLU 63 HB1 GLU 63 -17.040 1.712 -1.004
521 HG2 GLU 63 HG2 GLU 63 -16.741 0.247 -2.977
522 HG3 GLU 63 HG1 GLU 63 -17.971 -0.826 -2.312
523 H ILE 64 HN ILE 64 -15.489 -1.740 -2.159
524 HA ILE 64 HA ILE 64 -17.024 -3.976 -1.367
525 HB ILE 64 HB ILE 64 -14.525 -3.906 -3.077
526 HG12 ILE 64 HG12 ILE 64 -16.321 -2.513 -3.996
527 HG13 ILE 64 HG11 ILE 64 -16.071 -3.942 -4.988
528 HG21 ILE 64 HG21 ILE 64 -16.623 -6.053 -2.799
529 HG22 ILE 64 HG22 ILE 64 -14.950 -6.142 -2.245
530 HG23 ILE 64 HG23 ILE 64 -15.306 -6.055 -3.972
531 HD11 ILE 64 HD11 ILE 64 -18.424 -3.468 -4.741
532 HD12 ILE 64 HD12 ILE 64 -18.274 -3.533 -2.985
533 HD13 ILE 64 HD13 ILE 64 -18.020 -4.989 -3.947
534 H TYR 65 HN TYR 65 -13.629 -3.115 -0.906
535 HA TYR 65 HA TYR 65 -12.777 -5.386 0.475
536 HB2 TYR 65 HB2 TYR 65 -11.183 -3.800 -0.359
537 HB3 TYR 65 HB1 TYR 65 -11.891 -2.500 0.587
538 HD1 TYR 65 HD2 TYR 65 -10.242 -5.824 1.067
539 HD2 TYR 65 HD1 TYR 65 -10.859 -1.886 2.554
540 HE1 TYR 65 HE2 TYR 65 -8.619 -6.253 2.865
541 HE2 TYR 65 HE1 TYR 65 -9.240 -2.306 4.353
542 HH TYR 65 HH TYR 65 -8.200 -4.052 5.515
543 H ASP 66 HN ASP 66 -14.341 -2.442 1.631
544 HA ASP 66 HA ASP 66 -13.943 -3.042 4.392
545 HB2 ASP 66 HB2 ASP 66 -14.250 -0.747 3.436
546 HB3 ASP 66 HB1 ASP 66 -15.946 -1.132 3.186
547 H ARG 67 HN ARG 67 -16.755 -3.341 2.194
548 HA ARG 67 HA ARG 67 -18.374 -4.323 4.390
549 HB2 ARG 67 HB2 ARG 67 -20.216 -4.171 2.921
550 HB3 ARG 67 HB1 ARG 67 -19.199 -2.777 2.584
551 HG2 ARG 67 HG2 ARG 67 -18.197 -4.354 0.745
552 HG3 ARG 67 HG1 ARG 67 -19.752 -5.173 0.916
553 HD2 ARG 67 HD2 ARG 67 -20.794 -2.862 0.659
554 HD3 ARG 67 HD1 ARG 67 -19.195 -2.343 0.115
555 HE ARG 67 HE ARG 67 -19.746 -4.528 -1.425
556 HH11 ARG 67 HH11 ARG 67 -21.356 -1.473 -0.814
557 HH12 ARG 67 HH12 ARG 67 -22.181 -1.451 -2.340
558 HH21 ARG 67 HH21 ARG 67 -20.850 -4.510 -3.438
559 HH22 ARG 67 HH22 ARG 67 -21.911 -3.182 -3.820
560 H TYR 68 HN TYR 68 -16.628 -5.727 1.685
561 HA TYR 68 HA TYR 68 -18.036 -8.269 2.048
562 HB2 TYR 68 HB2 TYR 68 -17.562 -7.299 -0.250
563 HB3 TYR 68 HB1 TYR 68 -15.864 -7.653 0.037
564 HD1 TYR 68 HD1 TYR 68 -19.200 -9.335 0.036
565 HD2 TYR 68 HD2 TYR 68 -15.016 -9.700 -0.649
566 HE1 TYR 68 HE1 TYR 68 -19.542 -11.619 -0.808
567 HE2 TYR 68 HE2 TYR 68 -15.349 -11.983 -1.496
568 HH TYR 68 HH TYR 68 -16.994 -13.805 -1.291
569 H GLY 69 HN GLY 69 -15.359 -6.685 3.236
570 HA2 GLY 69 HA2 GLY 69 -13.493 -8.770 3.613
571 HA3 GLY 69 HA1 GLY 69 -13.674 -7.338 4.620
572 H ARG 70 HN ARG 70 -16.246 -7.688 5.396
573 HA ARG 70 HA ARG 70 -16.057 -9.290 7.677
574 HB2 ARG 70 HB2 ARG 70 -18.566 -8.318 6.302
575 HB3 ARG 70 HB1 ARG 70 -18.444 -8.859 7.970
576 HG2 ARG 70 HG2 ARG 70 -17.016 -6.476 6.818
577 HG3 ARG 70 HG1 ARG 70 -18.503 -6.414 7.768
578 HD2 ARG 70 HD2 ARG 70 -15.923 -7.615 8.759
579 HD3 ARG 70 HD1 ARG 70 -16.404 -5.945 9.057
580 HE ARG 70 HE ARG 70 -18.533 -7.330 9.960
581 HH11 ARG 70 HH11 ARG 70 -15.095 -7.718 10.532
582 HH12 ARG 70 HH12 ARG 70 -15.308 -8.234 12.182
583 HH21 ARG 70 HH21 ARG 70 -18.799 -8.039 12.131
584 HH22 ARG 70 HH22 ARG 70 -17.390 -8.431 13.076
585 H GLU 71 HN GLU 71 -17.064 -10.093 4.451
586 HA GLU 71 HA GLU 71 -18.443 -12.507 5.158
587 HB2 GLU 71 HB2 GLU 71 -17.402 -11.456 2.522
588 HB3 GLU 71 HB1 GLU 71 -18.321 -12.945 2.686
589 HG2 GLU 71 HG2 GLU 71 -19.362 -10.281 3.597
590 HG3 GLU 71 HG1 GLU 71 -19.611 -10.908 1.969
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -14.110 2.922 11.123
2 H2 MET 1 HT2 MET 1 -14.133 3.207 12.795
3 H3 MET 1 HT3 MET 1 -13.284 1.879 12.174
4 HA MET 1 HA MET 1 -12.640 4.727 11.701
5 HB2 MET 1 HB2 MET 1 -11.445 2.622 13.495
6 HB3 MET 1 HB1 MET 1 -10.477 3.969 12.910
7 HG2 MET 1 HG2 MET 1 -11.367 4.379 15.142
8 HG3 MET 1 HG1 MET 1 -11.970 5.547 13.969
9 HE1 MET 1 HE1 MET 1 -14.975 5.166 16.458
10 HE2 MET 1 HE2 MET 1 -13.811 6.273 15.730
11 HE3 MET 1 HE3 MET 1 -13.268 5.061 16.890
12 H ALA 2 HN ALA 2 -11.752 5.020 9.798
13 HA ALA 2 HA ALA 2 -10.730 2.777 8.282
14 HB1 ALA 2 HB1 ALA 2 -12.040 4.416 7.099
15 HB2 ALA 2 HB2 ALA 2 -10.379 4.464 6.501
16 HB3 ALA 2 HB3 ALA 2 -10.952 5.708 7.612
17 H SER 3 HN SER 3 -9.016 2.361 9.881
18 HA SER 3 HA SER 3 -6.847 4.179 10.202
19 HB2 SER 3 HB2 SER 3 -6.726 1.198 10.643
20 HB3 SER 3 HB1 SER 3 -5.840 2.467 11.490
21 HG SER 3 HG SER 3 -7.411 2.477 12.875
22 H TYR 4 HN TYR 4 -7.520 3.655 7.435
23 HA TYR 4 HA TYR 4 -5.643 1.874 6.275
24 HB2 TYR 4 HB2 TYR 4 -7.244 4.155 5.109
25 HB3 TYR 4 HB1 TYR 4 -6.227 3.086 4.144
26 HD1 TYR 4 HD2 TYR 4 -6.677 0.491 4.650
27 HD2 TYR 4 HD1 TYR 4 -9.499 3.619 5.222
28 HE1 TYR 4 HE2 TYR 4 -8.506 -1.145 4.519
29 HE2 TYR 4 HE1 TYR 4 -11.340 1.990 5.100
30 HH TYR 4 HH TYR 4 -11.728 -0.299 4.110
31 H TYR 5 HN TYR 5 -5.477 5.175 7.340
32 HA TYR 5 HA TYR 5 -3.151 6.000 6.036
33 HB2 TYR 5 HB2 TYR 5 -2.763 7.315 8.263
34 HB3 TYR 5 HB1 TYR 5 -4.132 7.717 7.237
35 HD1 TYR 5 HD1 TYR 5 -3.140 5.988 10.359
36 HD2 TYR 5 HD2 TYR 5 -6.345 7.496 8.014
37 HE1 TYR 5 HE1 TYR 5 -4.669 5.685 12.265
38 HE2 TYR 5 HE2 TYR 5 -7.882 7.200 9.905
39 HH TYR 5 HH TYR 5 -6.830 6.579 13.076
40 H GLU 6 HN GLU 6 -3.595 3.829 8.743
41 HA GLU 6 HA GLU 6 -0.842 3.672 9.463
42 HB2 GLU 6 HB2 GLU 6 -3.105 1.747 10.008
43 HB3 GLU 6 HB1 GLU 6 -1.532 1.727 10.797
44 HG2 GLU 6 HG2 GLU 6 -3.361 4.093 10.891
45 HG3 GLU 6 HG1 GLU 6 -3.437 2.786 12.073
46 H ILE 7 HN ILE 7 -3.017 1.728 7.452
47 HA ILE 7 HA ILE 7 -1.140 -0.359 7.014
48 HB ILE 7 HB ILE 7 -2.721 -1.307 5.458
49 HG12 ILE 7 HG12 ILE 7 -4.988 0.110 5.312
50 HG13 ILE 7 HG11 ILE 7 -3.854 1.449 5.411
51 HG21 ILE 7 HG21 ILE 7 -3.265 -1.747 7.695
52 HG22 ILE 7 HG22 ILE 7 -4.784 -1.267 6.933
53 HG23 ILE 7 HG23 ILE 7 -3.907 -0.123 7.945
54 HD11 ILE 7 HD11 ILE 7 -2.681 0.586 3.442
55 HD12 ILE 7 HD12 ILE 7 -4.378 0.935 3.108
56 HD13 ILE 7 HD13 ILE 7 -3.848 -0.732 3.340
57 H LEU 8 HN LEU 8 -1.879 2.609 5.335
58 HA LEU 8 HA LEU 8 -0.179 1.821 3.095
59 HB2 LEU 8 HB2 LEU 8 -2.324 2.830 2.544
60 HB3 LEU 8 HB1 LEU 8 -1.939 4.236 3.516
61 HG LEU 8 HG LEU 8 -0.055 4.732 1.960
62 HD11 LEU 8 HD11 LEU 8 0.305 2.498 1.084
63 HD12 LEU 8 HD12 LEU 8 -0.039 3.631 -0.222
64 HD13 LEU 8 HD13 LEU 8 -1.289 2.519 0.330
65 HD21 LEU 8 HD21 LEU 8 -2.815 4.569 0.762
66 HD22 LEU 8 HD22 LEU 8 -1.491 5.553 0.141
67 HD23 LEU 8 HD23 LEU 8 -2.166 5.889 1.736
68 H ASP 9 HN ASP 9 -0.615 4.976 4.601
69 HA ASP 9 HA ASP 9 1.796 5.326 5.893
70 HB2 ASP 9 HB2 ASP 9 2.735 4.918 3.561
71 HB3 ASP 9 HB1 ASP 9 1.982 6.436 3.086
72 H VAL 10 HN VAL 10 -0.521 6.729 3.696
73 HA VAL 10 HA VAL 10 -0.708 9.116 5.413
74 HB VAL 10 HB VAL 10 -1.397 10.407 3.430
75 HG11 VAL 10 HG11 VAL 10 0.805 10.564 2.361
76 HG12 VAL 10 HG12 VAL 10 1.277 9.047 3.129
77 HG13 VAL 10 HG13 VAL 10 0.932 10.466 4.117
78 HG21 VAL 10 HG21 VAL 10 -1.079 9.493 1.182
79 HG22 VAL 10 HG22 VAL 10 -2.295 8.585 2.082
80 HG23 VAL 10 HG23 VAL 10 -0.673 7.924 1.878
81 HA PRO 11 HA PRO 11 -5.017 8.188 5.802
82 HB2 PRO 11 HB2 PRO 11 -5.741 10.975 5.993
83 HB3 PRO 11 HB1 PRO 11 -5.570 9.795 7.292
84 HG2 PRO 11 HG2 PRO 11 -3.895 11.934 6.936
85 HG3 PRO 11 HG1 PRO 11 -3.428 10.435 7.756
86 HD2 PRO 11 HD2 PRO 11 -2.857 11.325 4.960
87 HD3 PRO 11 HD1 PRO 11 -1.808 10.465 6.109
88 H ARG 12 HN ARG 12 -7.105 8.429 4.881
89 HA ARG 12 HA ARG 12 -7.159 8.626 2.079
90 HB2 ARG 12 HB2 ARG 12 -9.594 8.465 2.307
91 HB3 ARG 12 HB1 ARG 12 -8.773 7.276 3.306
92 HG2 ARG 12 HG2 ARG 12 -9.139 8.670 5.267
93 HG3 ARG 12 HG1 ARG 12 -9.924 9.890 4.263
94 HD2 ARG 12 HD2 ARG 12 -11.624 8.184 3.633
95 HD3 ARG 12 HD1 ARG 12 -10.878 7.078 4.789
96 HE ARG 12 HE ARG 12 -11.626 9.630 5.900
97 HH11 ARG 12 HH11 ARG 12 -12.758 6.397 5.152
98 HH12 ARG 12 HH12 ARG 12 -13.975 6.400 6.393
99 HH21 ARG 12 HH21 ARG 12 -13.215 9.648 7.526
100 HH22 ARG 12 HH22 ARG 12 -14.221 8.243 7.765
101 H SER 13 HN SER 13 -7.550 10.994 4.518
102 HA SER 13 HA SER 13 -9.031 12.939 3.126
103 HB2 SER 13 HB2 SER 13 -7.962 14.508 4.823
104 HB3 SER 13 HB1 SER 13 -8.854 13.141 5.491
105 HG SER 13 HG SER 13 -7.045 12.824 6.539
106 H ALA 14 HN ALA 14 -5.793 11.886 2.809
107 HA ALA 14 HA ALA 14 -4.725 14.255 1.614
108 HB1 ALA 14 HB1 ALA 14 -2.820 12.906 1.048
109 HB2 ALA 14 HB2 ALA 14 -3.727 11.421 1.330
110 HB3 ALA 14 HB3 ALA 14 -3.330 12.483 2.682
111 H SER 15 HN SER 15 -4.386 14.655 -0.578
112 HA SER 15 HA SER 15 -6.498 13.986 -2.288
113 HB2 SER 15 HB2 SER 15 -4.990 16.017 -2.436
114 HB3 SER 15 HB1 SER 15 -3.774 14.966 -3.159
115 HG SER 15 HG SER 15 -4.785 15.651 -4.914
116 H ALA 16 HN ALA 16 -6.383 12.816 -4.355
117 HA ALA 16 HA ALA 16 -5.759 10.158 -3.954
118 HB1 ALA 16 HB1 ALA 16 -7.327 10.995 -5.662
119 HB2 ALA 16 HB2 ALA 16 -6.193 9.808 -6.303
120 HB3 ALA 16 HB3 ALA 16 -5.955 11.523 -6.635
121 H ASP 17 HN ASP 17 -3.805 12.601 -5.617
122 HA ASP 17 HA ASP 17 -1.784 10.871 -6.517
123 HB2 ASP 17 HB2 ASP 17 -1.997 13.117 -7.423
124 HB3 ASP 17 HB1 ASP 17 -1.612 13.797 -5.846
125 H ASP 18 HN ASP 18 -2.293 12.482 -3.445
126 HA ASP 18 HA ASP 18 0.286 12.157 -2.369
127 HB2 ASP 18 HB2 ASP 18 -2.424 12.399 -1.072
128 HB3 ASP 18 HB1 ASP 18 -0.934 12.287 -0.141
129 H ILE 19 HN ILE 19 -2.599 10.099 -2.181
130 HA ILE 19 HA ILE 19 -1.483 8.032 -0.652
131 HB ILE 19 HB ILE 19 -3.721 8.121 -2.641
132 HG12 ILE 19 HG12 ILE 19 -4.910 7.267 -0.505
133 HG13 ILE 19 HG11 ILE 19 -3.446 7.791 0.319
134 HG21 ILE 19 HG21 ILE 19 -2.676 5.932 -2.976
135 HG22 ILE 19 HG22 ILE 19 -4.266 5.796 -2.225
136 HG23 ILE 19 HG23 ILE 19 -2.812 5.610 -1.247
137 HD11 ILE 19 HD11 ILE 19 -5.494 9.408 -1.111
138 HD12 ILE 19 HD12 ILE 19 -3.844 10.001 -0.945
139 HD13 ILE 19 HD13 ILE 19 -4.797 9.638 0.497
140 H LYS 20 HN LYS 20 -1.580 8.553 -4.131
141 HA LYS 20 HA LYS 20 -0.202 6.209 -4.885
142 HB2 LYS 20 HB2 LYS 20 -1.594 7.614 -6.383
143 HB3 LYS 20 HB1 LYS 20 -0.369 8.868 -6.311
144 HG2 LYS 20 HG2 LYS 20 1.215 7.454 -7.446
145 HG3 LYS 20 HG1 LYS 20 0.078 6.102 -7.412
146 HD2 LYS 20 HD2 LYS 20 0.101 7.216 -9.603
147 HD3 LYS 20 HD1 LYS 20 -1.475 7.349 -8.817
148 HE2 LYS 20 HE2 LYS 20 -0.848 9.609 -8.038
149 HE3 LYS 20 HE1 LYS 20 0.666 9.472 -8.925
150 HZ1 LYS 20 HZ1 LYS 20 -2.076 9.520 -10.062
151 HZ2 LYS 20 HZ2 LYS 20 -0.682 9.181 -10.971
152 HZ3 LYS 20 HZ3 LYS 20 -0.868 10.698 -10.237
153 H LYS 21 HN LYS 21 0.868 9.464 -4.040
154 HA LYS 21 HA LYS 21 3.616 9.072 -4.617
155 HB2 LYS 21 HB2 LYS 21 2.148 11.023 -2.864
156 HB3 LYS 21 HB1 LYS 21 3.901 11.014 -2.962
157 HG2 LYS 21 HG2 LYS 21 2.048 11.396 -5.308
158 HG3 LYS 21 HG1 LYS 21 2.837 12.698 -4.417
159 HD2 LYS 21 HD2 LYS 21 4.319 12.439 -6.149
160 HD3 LYS 21 HD1 LYS 21 5.003 11.312 -4.980
161 HE2 LYS 21 HE2 LYS 21 4.944 10.274 -7.141
162 HE3 LYS 21 HE1 LYS 21 3.794 9.474 -6.068
163 HZ1 LYS 21 HZ1 LYS 21 2.719 9.788 -8.143
164 HZ2 LYS 21 HZ2 LYS 21 3.227 11.400 -8.255
165 HZ3 LYS 21 HZ3 LYS 21 2.056 10.964 -7.111
166 H ALA 22 HN ALA 22 1.681 8.639 -1.683
167 HA ALA 22 HA ALA 22 3.785 8.104 0.092
168 HB1 ALA 22 HB1 ALA 22 2.106 7.036 1.501
169 HB2 ALA 22 HB2 ALA 22 0.979 6.999 0.146
170 HB3 ALA 22 HB3 ALA 22 1.491 8.544 0.825
171 H TYR 23 HN TYR 23 1.853 5.920 -1.924
172 HA TYR 23 HA TYR 23 3.089 3.526 -1.215
173 HB2 TYR 23 HB2 TYR 23 1.268 3.070 -2.498
174 HB3 TYR 23 HB1 TYR 23 1.493 4.491 -3.519
175 HD1 TYR 23 HD2 TYR 23 2.784 1.049 -2.908
176 HD2 TYR 23 HD1 TYR 23 2.442 4.283 -5.648
177 HE1 TYR 23 HE2 TYR 23 3.718 -0.365 -4.688
178 HE2 TYR 23 HE1 TYR 23 3.374 2.876 -7.434
179 HH TYR 23 HH TYR 23 4.904 0.835 -7.550
180 H ARG 24 HN ARG 24 3.932 5.807 -3.815
181 HA ARG 24 HA ARG 24 6.149 4.286 -4.712
182 HB2 ARG 24 HB2 ARG 24 5.354 7.170 -5.156
183 HB3 ARG 24 HB1 ARG 24 6.812 6.461 -5.854
184 HG2 ARG 24 HG2 ARG 24 5.432 4.791 -6.992
185 HG3 ARG 24 HG1 ARG 24 3.987 5.538 -6.304
186 HD2 ARG 24 HD2 ARG 24 4.238 6.387 -8.508
187 HD3 ARG 24 HD1 ARG 24 4.679 7.669 -7.375
188 HE ARG 24 HE ARG 24 7.037 7.097 -7.855
189 HH11 ARG 24 HH11 ARG 24 4.563 6.145 -10.156
190 HH12 ARG 24 HH12 ARG 24 5.651 6.128 -11.512
191 HH21 ARG 24 HH21 ARG 24 8.458 7.089 -9.628
192 HH22 ARG 24 HH22 ARG 24 7.875 6.669 -11.211
193 H ARG 25 HN ARG 25 5.774 6.800 -2.321
194 HA ARG 25 HA ARG 25 8.482 7.399 -1.873
195 HB2 ARG 25 HB2 ARG 25 6.903 8.873 -0.954
196 HB3 ARG 25 HB1 ARG 25 5.968 7.571 -0.236
197 HG2 ARG 25 HG2 ARG 25 7.965 7.190 1.284
198 HG3 ARG 25 HG1 ARG 25 8.553 8.754 0.711
199 HD2 ARG 25 HD2 ARG 25 5.944 8.197 2.116
200 HD3 ARG 25 HD1 ARG 25 7.332 9.063 2.772
201 HE ARG 25 HE ARG 25 6.726 10.525 0.596
202 HH11 ARG 25 HH11 ARG 25 4.683 9.264 3.169
203 HH12 ARG 25 HH12 ARG 25 3.601 10.620 3.126
204 HH21 ARG 25 HH21 ARG 25 5.259 12.286 0.536
205 HH22 ARG 25 HH22 ARG 25 3.930 12.334 1.656
206 H LYS 26 HN LYS 26 6.332 5.069 -0.296
207 HA LYS 26 HA LYS 26 8.331 4.034 1.431
208 HB2 LYS 26 HB2 LYS 26 5.916 3.904 1.887
209 HB3 LYS 26 HB1 LYS 26 5.722 2.823 0.514
210 HG2 LYS 26 HG2 LYS 26 6.821 1.075 1.582
211 HG3 LYS 26 HG1 LYS 26 7.538 2.144 2.793
212 HD2 LYS 26 HD2 LYS 26 4.582 1.681 2.508
213 HD3 LYS 26 HD1 LYS 26 5.608 0.764 3.618
214 HE2 LYS 26 HE2 LYS 26 6.268 2.893 4.701
215 HE3 LYS 26 HE1 LYS 26 5.168 3.755 3.629
216 HZ1 LYS 26 HZ1 LYS 26 4.200 3.346 5.817
217 HZ2 LYS 26 HZ2 LYS 26 4.359 1.674 5.590
218 HZ3 LYS 26 HZ3 LYS 26 3.316 2.570 4.597
219 H ALA 27 HN ALA 27 6.959 2.993 -1.644
220 HA ALA 27 HA ALA 27 8.455 0.717 -2.144
221 HB1 ALA 27 HB1 ALA 27 7.842 2.769 -4.252
222 HB2 ALA 27 HB2 ALA 27 6.604 1.742 -3.541
223 HB3 ALA 27 HB3 ALA 27 7.944 1.013 -4.427
224 H LEU 28 HN LEU 28 9.371 4.108 -2.520
225 HA LEU 28 HA LEU 28 11.874 3.582 -3.760
226 HB2 LEU 28 HB2 LEU 28 10.408 5.894 -2.858
227 HB3 LEU 28 HB1 LEU 28 12.100 6.024 -2.419
228 HG LEU 28 HG LEU 28 11.639 7.086 -4.577
229 HD11 LEU 28 HD11 LEU 28 13.401 5.984 -5.872
230 HD12 LEU 28 HD12 LEU 28 13.317 4.590 -4.797
231 HD13 LEU 28 HD13 LEU 28 13.849 6.152 -4.174
232 HD21 LEU 28 HD21 LEU 28 11.037 5.724 -6.522
233 HD22 LEU 28 HD22 LEU 28 9.774 5.693 -5.292
234 HD23 LEU 28 HD23 LEU 28 10.856 4.314 -5.475
235 H GLN 29 HN GLN 29 10.879 3.971 -0.397
236 HA GLN 29 HA GLN 29 13.460 4.049 0.728
237 HB2 GLN 29 HB2 GLN 29 10.907 2.954 1.919
238 HB3 GLN 29 HB1 GLN 29 12.370 3.327 2.818
239 HG2 GLN 29 HG2 GLN 29 10.717 5.328 1.298
240 HG3 GLN 29 HG1 GLN 29 10.630 5.046 3.033
241 HE21 GLN 29 HE21 GLN 29 11.226 7.079 3.596
242 HE22 GLN 29 HE22 GLN 29 12.818 7.718 3.349
243 H TRP 30 HN TRP 30 11.400 1.409 -0.292
244 HA TRP 30 HA TRP 30 13.410 -0.523 0.628
245 HB2 TRP 30 HB2 TRP 30 10.554 -1.045 -0.222
246 HB3 TRP 30 HB1 TRP 30 11.672 -2.220 0.465
247 HD1 TRP 30 HD1 TRP 30 8.794 -0.464 1.533
248 HE1 TRP 30 HE1 TRP 30 8.787 0.036 4.060
249 HE3 TRP 30 HE3 TRP 30 13.754 -1.227 2.529
250 HZ2 TRP 30 HZ2 TRP 30 10.640 0.103 6.189
251 HZ3 TRP 30 HZ3 TRP 30 14.553 -0.918 4.834
252 HH2 TRP 30 HH2 TRP 30 13.028 -0.266 6.626
253 H HIS 31 HN HIS 31 13.325 1.197 -1.869
254 HA HIS 31 HA HIS 31 13.013 -0.592 -4.078
255 HB2 HIS 31 HB2 HIS 31 13.114 2.108 -3.848
256 HB3 HIS 31 HB1 HIS 31 14.772 1.787 -4.343
257 HD1 HIS 31 HD1 HIS 31 15.144 1.678 -6.790
258 HD2 HIS 31 HD2 HIS 31 11.172 0.940 -5.770
259 HE1 HIS 31 HE1 HIS 31 13.899 1.485 -8.975
260 HE2 HIS 31 HE2 HIS 31 11.473 1.214 -8.331
261 HA PRO 32 HA PRO 32 16.423 -3.144 -3.708
262 HB2 PRO 32 HB2 PRO 32 17.299 -3.312 -6.337
263 HB3 PRO 32 HB1 PRO 32 15.971 -4.238 -5.635
264 HG2 PRO 32 HG2 PRO 32 15.881 -1.720 -7.243
265 HG3 PRO 32 HG1 PRO 32 14.823 -3.139 -7.321
266 HD2 PRO 32 HD2 PRO 32 14.017 -0.926 -6.096
267 HD3 PRO 32 HD1 PRO 32 13.650 -2.522 -5.403
268 H ASP 33 HN ASP 33 17.100 -0.215 -5.557
269 HA ASP 33 HA ASP 33 19.935 -0.412 -5.354
270 HB2 ASP 33 HB2 ASP 33 19.867 2.038 -5.959
271 HB3 ASP 33 HB1 ASP 33 19.054 0.960 -7.090
272 H LYS 34 HN LYS 34 17.437 1.003 -3.359
273 HA LYS 34 HA LYS 34 19.366 2.180 -1.532
274 HB2 LYS 34 HB2 LYS 34 16.843 2.902 -2.288
275 HB3 LYS 34 HB1 LYS 34 16.522 2.079 -0.767
276 HG2 LYS 34 HG2 LYS 34 16.810 4.472 -0.446
277 HG3 LYS 34 HG1 LYS 34 18.082 3.557 0.373
278 HD2 LYS 34 HD2 LYS 34 19.655 4.059 -1.343
279 HD3 LYS 34 HD1 LYS 34 18.399 4.742 -2.377
280 HE2 LYS 34 HE2 LYS 34 19.277 5.854 0.286
281 HE3 LYS 34 HE1 LYS 34 19.776 6.467 -1.288
282 HZ1 LYS 34 HZ1 LYS 34 17.962 7.756 -0.316
283 HZ2 LYS 34 HZ2 LYS 34 16.972 6.378 -0.306
284 HZ3 LYS 34 HZ3 LYS 34 17.498 7.035 -1.777
285 H ASN 35 HN ASN 35 18.269 -0.805 -2.095
286 HA ASN 35 HA ASN 35 17.934 -1.594 0.713
287 HB2 ASN 35 HB2 ASN 35 16.123 -2.260 -0.819
288 HB3 ASN 35 HB1 ASN 35 17.293 -3.054 -1.871
289 HD21 ASN 35 HD21 ASN 35 15.570 -3.212 1.130
290 HD22 ASN 35 HD22 ASN 35 15.921 -4.874 1.467
291 HA PRO 36 HA PRO 36 22.007 -3.315 0.573
292 HB2 PRO 36 HB2 PRO 36 21.956 -4.917 2.718
293 HB3 PRO 36 HB1 PRO 36 21.874 -3.155 2.875
294 HG2 PRO 36 HG2 PRO 36 19.648 -5.163 2.903
295 HG3 PRO 36 HG1 PRO 36 19.943 -3.824 4.033
296 HD2 PRO 36 HD2 PRO 36 18.174 -3.620 1.993
297 HD3 PRO 36 HD1 PRO 36 19.128 -2.234 2.563
298 H ASP 37 HN ASP 37 21.569 -6.198 2.043
299 HA ASP 37 HA ASP 37 21.679 -7.555 -0.552
300 HB2 ASP 37 HB2 ASP 37 22.788 -8.285 2.133
301 HB3 ASP 37 HB1 ASP 37 22.652 -9.470 0.836
302 H ASN 38 HN ASN 38 19.525 -7.063 1.937
303 HA ASN 38 HA ASN 38 18.188 -9.626 1.412
304 HB2 ASN 38 HB2 ASN 38 18.086 -7.723 3.719
305 HB3 ASN 38 HB1 ASN 38 16.688 -8.738 3.382
306 HD21 ASN 38 HD21 ASN 38 18.486 -8.765 5.674
307 HD22 ASN 38 HD22 ASN 38 19.137 -10.367 5.742
308 H LYS 39 HN LYS 39 17.022 -9.393 -0.363
309 HA LYS 39 HA LYS 39 15.510 -6.920 -0.769
310 HB2 LYS 39 HB2 LYS 39 16.395 -9.137 -2.583
311 HB3 LYS 39 HB1 LYS 39 15.042 -8.116 -3.053
312 HG2 LYS 39 HG2 LYS 39 17.001 -7.228 -4.060
313 HG3 LYS 39 HG1 LYS 39 16.530 -6.133 -2.762
314 HD2 LYS 39 HD2 LYS 39 18.822 -6.304 -2.466
315 HD3 LYS 39 HD1 LYS 39 18.203 -7.501 -1.330
316 HE2 LYS 39 HE2 LYS 39 20.044 -8.473 -2.494
317 HE3 LYS 39 HE1 LYS 39 18.566 -9.242 -3.074
318 HZ1 LYS 39 HZ1 LYS 39 20.114 -8.667 -4.870
319 HZ2 LYS 39 HZ2 LYS 39 19.986 -7.029 -4.461
320 HZ3 LYS 39 HZ3 LYS 39 18.629 -7.868 -5.035
321 H GLU 40 HN GLU 40 15.156 -10.133 0.230
322 HA GLU 40 HA GLU 40 12.652 -10.909 -0.618
323 HB2 GLU 40 HB2 GLU 40 14.224 -12.300 0.688
324 HB3 GLU 40 HB1 GLU 40 13.875 -11.342 2.116
325 HG2 GLU 40 HG2 GLU 40 12.606 -13.282 2.367
326 HG3 GLU 40 HG1 GLU 40 11.457 -12.062 1.821
327 H PHE 41 HN PHE 41 13.438 -8.966 2.278
328 HA PHE 41 HA PHE 41 10.684 -8.654 2.950
329 HB2 PHE 41 HB2 PHE 41 11.341 -7.327 4.777
330 HB3 PHE 41 HB1 PHE 41 12.601 -8.537 4.609
331 HD1 PHE 41 HD2 PHE 41 11.763 -4.998 4.343
332 HD2 PHE 41 HD1 PHE 41 14.849 -7.899 3.938
333 HE1 PHE 41 HE2 PHE 41 13.444 -3.205 4.361
334 HE2 PHE 41 HE1 PHE 41 16.535 -6.107 3.966
335 HZ PHE 41 HZ PHE 41 15.834 -3.759 4.175
336 H ALA 42 HN ALA 42 13.004 -6.764 1.124
337 HA ALA 42 HA ALA 42 11.569 -4.348 1.023
338 HB1 ALA 42 HB1 ALA 42 13.561 -5.530 -0.902
339 HB2 ALA 42 HB2 ALA 42 13.879 -4.373 0.393
340 HB3 ALA 42 HB3 ALA 42 12.934 -3.889 -1.015
341 H GLU 43 HN GLU 43 11.602 -7.135 -1.194
342 HA GLU 43 HA GLU 43 9.696 -5.995 -2.972
343 HB2 GLU 43 HB2 GLU 43 9.491 -8.276 -3.909
344 HB3 GLU 43 HB1 GLU 43 11.157 -7.729 -3.789
345 HG2 GLU 43 HG2 GLU 43 11.546 -9.107 -1.887
346 HG3 GLU 43 HG1 GLU 43 9.835 -9.523 -1.775
347 H LYS 44 HN LYS 44 9.464 -8.123 -0.168
348 HA LYS 44 HA LYS 44 6.746 -8.774 -0.390
349 HB2 LYS 44 HB2 LYS 44 8.777 -9.314 1.417
350 HB3 LYS 44 HB1 LYS 44 7.631 -8.372 2.364
351 HG2 LYS 44 HG2 LYS 44 7.182 -10.751 2.566
352 HG3 LYS 44 HG1 LYS 44 5.846 -9.925 1.762
353 HD2 LYS 44 HD2 LYS 44 6.377 -12.034 0.642
354 HD3 LYS 44 HD1 LYS 44 6.694 -10.656 -0.415
355 HE2 LYS 44 HE2 LYS 44 9.092 -10.781 0.300
356 HE3 LYS 44 HE1 LYS 44 8.701 -12.286 1.129
357 HZ1 LYS 44 HZ1 LYS 44 8.016 -13.229 -0.994
358 HZ2 LYS 44 HZ2 LYS 44 9.631 -12.705 -1.048
359 HZ3 LYS 44 HZ3 LYS 44 8.412 -11.780 -1.783
360 H LYS 45 HN LYS 45 8.363 -6.065 1.230
361 HA LYS 45 HA LYS 45 6.007 -4.851 2.228
362 HB2 LYS 45 HB2 LYS 45 8.744 -3.726 1.635
363 HB3 LYS 45 HB1 LYS 45 7.455 -2.792 2.382
364 HG2 LYS 45 HG2 LYS 45 8.795 -5.245 3.488
365 HG3 LYS 45 HG1 LYS 45 8.907 -3.594 4.098
366 HD2 LYS 45 HD2 LYS 45 6.423 -3.684 4.464
367 HD3 LYS 45 HD1 LYS 45 6.517 -5.404 4.099
368 HE2 LYS 45 HE2 LYS 45 8.066 -5.726 5.937
369 HE3 LYS 45 HE1 LYS 45 8.025 -4.004 6.293
370 HZ1 LYS 45 HZ1 LYS 45 5.691 -5.841 6.446
371 HZ2 LYS 45 HZ2 LYS 45 5.692 -4.189 6.839
372 HZ3 LYS 45 HZ3 LYS 45 6.589 -5.283 7.774
373 H PHE 46 HN PHE 46 7.868 -4.496 -0.730
374 HA PHE 46 HA PHE 46 6.512 -2.328 -1.864
375 HB2 PHE 46 HB2 PHE 46 8.608 -3.210 -2.773
376 HB3 PHE 46 HB1 PHE 46 7.799 -4.708 -3.225
377 HD1 PHE 46 HD2 PHE 46 7.981 -1.085 -3.923
378 HD2 PHE 46 HD1 PHE 46 6.635 -4.893 -5.262
379 HE1 PHE 46 HE2 PHE 46 7.448 -0.117 -6.118
380 HE2 PHE 46 HE1 PHE 46 6.103 -3.932 -7.467
381 HZ PHE 46 HZ PHE 46 6.509 -1.540 -7.894
382 H LYS 47 HN LYS 47 5.812 -5.782 -1.914
383 HA LYS 47 HA LYS 47 3.590 -5.620 -3.668
384 HB2 LYS 47 HB2 LYS 47 4.813 -7.720 -3.190
385 HB3 LYS 47 HB1 LYS 47 4.179 -7.699 -1.550
386 HG2 LYS 47 HG2 LYS 47 2.880 -9.230 -2.844
387 HG3 LYS 47 HG1 LYS 47 1.884 -7.815 -2.494
388 HD2 LYS 47 HD2 LYS 47 1.537 -8.401 -4.784
389 HD3 LYS 47 HD1 LYS 47 2.501 -6.924 -4.747
390 HE2 LYS 47 HE2 LYS 47 3.394 -8.441 -6.409
391 HE3 LYS 47 HE1 LYS 47 4.539 -8.271 -5.077
392 HZ1 LYS 47 HZ1 LYS 47 2.643 -10.530 -5.442
393 HZ2 LYS 47 HZ2 LYS 47 3.766 -10.374 -4.181
394 HZ3 LYS 47 HZ3 LYS 47 4.306 -10.576 -5.773
395 H GLU 48 HN GLU 48 3.929 -5.473 -0.156
396 HA GLU 48 HA GLU 48 1.195 -5.694 0.484
397 HB2 GLU 48 HB2 GLU 48 3.401 -4.302 2.015
398 HB3 GLU 48 HB1 GLU 48 1.830 -4.741 2.670
399 HG2 GLU 48 HG2 GLU 48 3.879 -6.674 1.621
400 HG3 GLU 48 HG1 GLU 48 3.599 -6.299 3.321
401 H VAL 49 HN VAL 49 3.265 -2.845 -0.012
402 HA VAL 49 HA VAL 49 1.140 -1.008 0.470
403 HB VAL 49 HB VAL 49 3.404 -0.253 0.817
404 HG11 VAL 49 HG11 VAL 49 3.865 -0.492 -2.152
405 HG12 VAL 49 HG12 VAL 49 4.412 -1.685 -0.978
406 HG13 VAL 49 HG13 VAL 49 5.038 -0.035 -0.913
407 HG21 VAL 49 HG21 VAL 49 3.295 1.867 -0.227
408 HG22 VAL 49 HG22 VAL 49 1.628 1.346 0.013
409 HG23 VAL 49 HG23 VAL 49 2.363 1.229 -1.580
410 H ALA 50 HN ALA 50 2.481 -2.519 -2.417
411 HA ALA 50 HA ALA 50 1.233 -0.890 -4.321
412 HB1 ALA 50 HB1 ALA 50 1.860 -3.820 -4.611
413 HB2 ALA 50 HB2 ALA 50 3.034 -2.520 -4.794
414 HB3 ALA 50 HB3 ALA 50 1.671 -2.638 -5.907
415 H GLU 51 HN GLU 51 0.108 -3.931 -2.832
416 HA GLU 51 HA GLU 51 -2.342 -3.927 -4.295
417 HB2 GLU 51 HB2 GLU 51 -3.041 -5.736 -2.827
418 HB3 GLU 51 HB1 GLU 51 -1.403 -6.002 -3.402
419 HG2 GLU 51 HG2 GLU 51 -0.497 -5.314 -1.281
420 HG3 GLU 51 HG1 GLU 51 -2.100 -4.877 -0.697
421 H ALA 52 HN ALA 52 -1.347 -2.775 -1.142
422 HA ALA 52 HA ALA 52 -3.970 -2.303 -0.165
423 HB1 ALA 52 HB1 ALA 52 -1.854 -2.690 1.160
424 HB2 ALA 52 HB2 ALA 52 -2.933 -1.413 1.739
425 HB3 ALA 52 HB3 ALA 52 -1.469 -0.993 0.846
426 H TYR 53 HN TYR 53 -1.561 -0.265 -1.768
427 HA TYR 53 HA TYR 53 -3.127 2.108 -1.539
428 HB2 TYR 53 HB2 TYR 53 -1.212 3.040 -2.213
429 HB3 TYR 53 HB1 TYR 53 -0.526 1.439 -2.453
430 HD1 TYR 53 HD1 TYR 53 -2.158 4.295 -4.094
431 HD2 TYR 53 HD2 TYR 53 -0.293 0.517 -4.679
432 HE1 TYR 53 HE1 TYR 53 -2.017 4.745 -6.502
433 HE2 TYR 53 HE2 TYR 53 -0.144 0.958 -7.093
434 HH TYR 53 HH TYR 53 -0.627 4.014 -8.435
435 H GLU 54 HN GLU 54 -2.800 -0.450 -3.914
436 HA GLU 54 HA GLU 54 -4.241 0.680 -6.022
437 HB2 GLU 54 HB2 GLU 54 -2.851 -1.350 -6.192
438 HB3 GLU 54 HB1 GLU 54 -4.012 -2.229 -5.212
439 HG2 GLU 54 HG2 GLU 54 -4.901 -0.952 -7.752
440 HG3 GLU 54 HG1 GLU 54 -4.000 -2.465 -7.804
441 H VAL 55 HN VAL 55 -5.345 -1.372 -3.337
442 HA VAL 55 HA VAL 55 -8.075 -1.293 -4.118
443 HB VAL 55 HB VAL 55 -7.229 -3.105 -2.716
444 HG11 VAL 55 HG11 VAL 55 -6.913 -1.029 -0.557
445 HG12 VAL 55 HG12 VAL 55 -5.616 -1.909 -1.366
446 HG13 VAL 55 HG13 VAL 55 -6.759 -2.773 -0.337
447 HG21 VAL 55 HG21 VAL 55 -9.608 -2.614 -2.636
448 HG22 VAL 55 HG22 VAL 55 -9.342 -1.476 -1.313
449 HG23 VAL 55 HG23 VAL 55 -9.034 -3.196 -1.073
450 H LEU 56 HN LEU 56 -6.103 0.703 -1.994
451 HA LEU 56 HA LEU 56 -8.293 1.982 -0.705
452 HB2 LEU 56 HB2 LEU 56 -5.978 1.702 0.214
453 HB3 LEU 56 HB1 LEU 56 -5.427 2.915 -0.914
454 HG LEU 56 HG LEU 56 -7.565 3.556 1.100
455 HD11 LEU 56 HD11 LEU 56 -4.582 3.715 1.516
456 HD12 LEU 56 HD12 LEU 56 -5.677 2.594 2.326
457 HD13 LEU 56 HD13 LEU 56 -5.818 4.329 2.613
458 HD21 LEU 56 HD21 LEU 56 -6.667 5.815 0.873
459 HD22 LEU 56 HD22 LEU 56 -7.167 5.175 -0.693
460 HD23 LEU 56 HD23 LEU 56 -5.456 5.228 -0.267
461 H SER 57 HN SER 57 -6.561 2.638 -3.654
462 HA SER 57 HA SER 57 -7.293 5.418 -3.732
463 HB2 SER 57 HB2 SER 57 -6.180 3.674 -5.943
464 HB3 SER 57 HB1 SER 57 -6.233 5.436 -5.931
465 HG SER 57 HG SER 57 -4.726 3.727 -4.234
466 H ASP 58 HN ASP 58 -8.842 2.498 -4.588
467 HA ASP 58 HA ASP 58 -10.652 3.969 -6.389
468 HB2 ASP 58 HB2 ASP 58 -9.526 2.212 -7.610
469 HB3 ASP 58 HB1 ASP 58 -9.995 1.023 -6.396
470 H LYS 59 HN LYS 59 -12.729 4.034 -5.974
471 HA LYS 59 HA LYS 59 -13.660 3.490 -3.371
472 HB2 LYS 59 HB2 LYS 59 -15.415 3.994 -5.774
473 HB3 LYS 59 HB1 LYS 59 -15.785 4.315 -4.088
474 HG2 LYS 59 HG2 LYS 59 -15.279 6.421 -4.669
475 HG3 LYS 59 HG1 LYS 59 -13.625 5.881 -4.381
476 HD2 LYS 59 HD2 LYS 59 -13.780 7.074 -6.497
477 HD3 LYS 59 HD1 LYS 59 -13.384 5.380 -6.775
478 HE2 LYS 59 HE2 LYS 59 -15.041 6.128 -8.378
479 HE3 LYS 59 HE1 LYS 59 -15.735 4.922 -7.298
480 HZ1 LYS 59 HZ1 LYS 59 -16.883 6.611 -6.102
481 HZ2 LYS 59 HZ2 LYS 59 -17.186 6.871 -7.750
482 HZ3 LYS 59 HZ3 LYS 59 -16.071 7.849 -6.930
483 H HIS 60 HN HIS 60 -13.891 1.760 -6.412
484 HA HIS 60 HA HIS 60 -15.977 -0.018 -5.627
485 HB2 HIS 60 HB2 HIS 60 -13.837 -0.580 -7.689
486 HB3 HIS 60 HB1 HIS 60 -15.435 -1.304 -7.587
487 HD1 HIS 60 HD1 HIS 60 -13.632 1.746 -8.751
488 HD2 HIS 60 HD2 HIS 60 -17.526 0.270 -8.635
489 HE1 HIS 60 HE1 HIS 60 -14.965 3.218 -10.296
490 HE2 HIS 60 HE2 HIS 60 -17.240 2.145 -10.403
491 H LYS 61 HN LYS 61 -12.456 -0.218 -5.662
492 HA LYS 61 HA LYS 61 -12.290 -2.904 -4.885
493 HB2 LYS 61 HB2 LYS 61 -10.269 -0.706 -4.495
494 HB3 LYS 61 HB1 LYS 61 -9.941 -2.426 -4.372
495 HG2 LYS 61 HG2 LYS 61 -10.749 -0.911 -6.843
496 HG3 LYS 61 HG1 LYS 61 -9.176 -1.632 -6.501
497 HD2 LYS 61 HD2 LYS 61 -11.778 -3.122 -6.855
498 HD3 LYS 61 HD1 LYS 61 -10.476 -3.019 -8.040
499 HE2 LYS 61 HE2 LYS 61 -10.101 -4.129 -5.275
500 HE3 LYS 61 HE1 LYS 61 -10.557 -5.132 -6.653
501 HZ1 LYS 61 HZ1 LYS 61 -8.127 -5.059 -6.134
502 HZ2 LYS 61 HZ2 LYS 61 -8.117 -3.432 -6.621
503 HZ3 LYS 61 HZ3 LYS 61 -8.526 -4.648 -7.729
504 H ARG 62 HN ARG 62 -12.443 0.071 -2.993
505 HA ARG 62 HA ARG 62 -11.686 -1.095 -0.531
506 HB2 ARG 62 HB2 ARG 62 -13.331 1.378 -1.066
507 HB3 ARG 62 HB1 ARG 62 -12.676 0.929 0.503
508 HG2 ARG 62 HG2 ARG 62 -10.407 1.038 -0.450
509 HG3 ARG 62 HG1 ARG 62 -11.103 1.587 -1.975
510 HD2 ARG 62 HD2 ARG 62 -11.271 2.987 0.689
511 HD3 ARG 62 HD1 ARG 62 -10.293 3.478 -0.692
512 HE ARG 62 HE ARG 62 -13.216 3.333 -0.974
513 HH11 ARG 62 HH11 ARG 62 -10.258 5.204 -0.967
514 HH12 ARG 62 HH12 ARG 62 -11.036 6.678 -1.444
515 HH21 ARG 62 HH21 ARG 62 -14.247 5.252 -1.635
516 HH22 ARG 62 HH22 ARG 62 -13.317 6.712 -1.845
517 H GLU 63 HN GLU 63 -14.893 -0.458 -1.943
518 HA GLU 63 HA GLU 63 -16.266 -1.505 0.323
519 HB2 GLU 63 HB2 GLU 63 -18.271 -1.477 -1.164
520 HB3 GLU 63 HB1 GLU 63 -17.439 0.064 -1.026
521 HG2 GLU 63 HG2 GLU 63 -16.396 -0.289 -3.192
522 HG3 GLU 63 HG1 GLU 63 -17.186 -1.860 -3.325
523 H ILE 64 HN ILE 64 -15.129 -2.868 -2.710
524 HA ILE 64 HA ILE 64 -16.345 -5.406 -2.394
525 HB ILE 64 HB ILE 64 -13.862 -4.574 -3.898
526 HG12 ILE 64 HG12 ILE 64 -15.967 -3.692 -4.776
527 HG13 ILE 64 HG11 ILE 64 -15.293 -4.892 -5.873
528 HG21 ILE 64 HG21 ILE 64 -15.224 -7.265 -3.936
529 HG22 ILE 64 HG22 ILE 64 -13.623 -6.917 -3.284
530 HG23 ILE 64 HG23 ILE 64 -13.926 -6.754 -5.014
531 HD11 ILE 64 HD11 ILE 64 -17.696 -5.126 -5.665
532 HD12 ILE 64 HD12 ILE 64 -17.539 -5.350 -3.923
533 HD13 ILE 64 HD13 ILE 64 -16.871 -6.549 -5.031
534 H TYR 65 HN TYR 65 -13.329 -4.002 -1.241
535 HA TYR 65 HA TYR 65 -12.233 -6.323 -0.089
536 HB2 TYR 65 HB2 TYR 65 -10.829 -4.399 -0.350
537 HB3 TYR 65 HB1 TYR 65 -11.920 -3.397 0.600
538 HD1 TYR 65 HD2 TYR 65 -9.815 -6.471 0.933
539 HD2 TYR 65 HD1 TYR 65 -11.422 -3.013 2.821
540 HE1 TYR 65 HE2 TYR 65 -8.532 -6.991 2.966
541 HE2 TYR 65 HE1 TYR 65 -10.147 -3.524 4.858
542 HH TYR 65 HH TYR 65 -7.679 -5.931 4.935
543 H ASP 66 HN ASP 66 -14.602 -3.993 1.089
544 HA ASP 66 HA ASP 66 -14.655 -4.917 3.756
545 HB2 ASP 66 HB2 ASP 66 -16.153 -3.041 2.149
546 HB3 ASP 66 HB1 ASP 66 -17.226 -3.970 3.192
547 H ARG 67 HN ARG 67 -16.665 -5.777 0.932
548 HA ARG 67 HA ARG 67 -18.157 -7.680 2.508
549 HB2 ARG 67 HB2 ARG 67 -19.296 -8.155 0.354
550 HB3 ARG 67 HB1 ARG 67 -19.325 -6.460 0.816
551 HG2 ARG 67 HG2 ARG 67 -17.205 -6.307 -0.690
552 HG3 ARG 67 HG1 ARG 67 -17.841 -7.797 -1.392
553 HD2 ARG 67 HD2 ARG 67 -19.347 -5.219 -1.100
554 HD3 ARG 67 HD1 ARG 67 -18.587 -5.781 -2.589
555 HE ARG 67 HE ARG 67 -20.379 -7.741 -1.578
556 HH11 ARG 67 HH11 ARG 67 -20.389 -4.617 -3.150
557 HH12 ARG 67 HH12 ARG 67 -21.853 -4.929 -4.040
558 HH21 ARG 67 HH21 ARG 67 -22.305 -8.155 -2.716
559 HH22 ARG 67 HH22 ARG 67 -22.936 -6.954 -3.810
560 H TYR 68 HN TYR 68 -15.737 -7.919 -0.111
561 HA TYR 68 HA TYR 68 -15.958 -10.833 0.008
562 HB2 TYR 68 HB2 TYR 68 -16.061 -9.778 -2.196
563 HB3 TYR 68 HB1 TYR 68 -14.491 -9.028 -1.931
564 HD1 TYR 68 HD2 TYR 68 -15.995 -12.461 -1.844
565 HD2 TYR 68 HD1 TYR 68 -12.698 -10.014 -2.965
566 HE1 TYR 68 HE2 TYR 68 -14.893 -14.416 -2.849
567 HE2 TYR 68 HE1 TYR 68 -11.584 -11.961 -3.968
568 HH TYR 68 HH TYR 68 -11.589 -14.340 -3.869
569 H GLY 69 HN GLY 69 -14.071 -8.410 1.353
570 HA2 GLY 69 HA2 GLY 69 -11.560 -9.829 1.399
571 HA3 GLY 69 HA1 GLY 69 -11.966 -8.370 2.297
572 H ARG 70 HN ARG 70 -13.986 -8.988 3.799
573 HA ARG 70 HA ARG 70 -12.818 -10.323 5.964
574 HB2 ARG 70 HB2 ARG 70 -15.724 -9.658 5.488
575 HB3 ARG 70 HB1 ARG 70 -15.034 -10.131 7.034
576 HG2 ARG 70 HG2 ARG 70 -14.386 -7.650 5.457
577 HG3 ARG 70 HG1 ARG 70 -15.307 -7.744 6.958
578 HD2 ARG 70 HD2 ARG 70 -12.384 -8.370 6.575
579 HD3 ARG 70 HD1 ARG 70 -13.073 -7.014 7.465
580 HE ARG 70 HE ARG 70 -13.199 -9.839 8.296
581 HH11 ARG 70 HH11 ARG 70 -13.333 -6.416 9.044
582 HH12 ARG 70 HH12 ARG 70 -13.402 -6.675 10.761
583 HH21 ARG 70 HH21 ARG 70 -13.315 -10.174 10.543
584 HH22 ARG 70 HH22 ARG 70 -13.408 -8.804 11.615
585 H GLU 71 HN GLU 71 -14.779 -11.542 3.373
586 HA GLU 71 HA GLU 71 -15.530 -13.962 4.737
587 HB2 GLU 71 HB2 GLU 71 -15.707 -13.250 1.808
588 HB3 GLU 71 HB1 GLU 71 -16.465 -14.638 2.572
589 HG2 GLU 71 HG2 GLU 71 -17.090 -11.740 3.080
590 HG3 GLU 71 HG1 GLU 71 -18.095 -12.907 2.223
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -11.597 3.351 13.433
2 H2 MET 1 HT2 MET 1 -11.799 3.599 11.763
3 H3 MET 1 HT3 MET 1 -10.279 3.818 12.475
4 HA MET 1 HA MET 1 -10.028 1.534 12.920
5 HB2 MET 1 HB2 MET 1 -12.880 1.324 11.932
6 HB3 MET 1 HB1 MET 1 -11.821 -0.065 12.131
7 HG2 MET 1 HG2 MET 1 -11.612 0.424 14.511
8 HG3 MET 1 HG1 MET 1 -12.661 1.827 14.315
9 HE1 MET 1 HE1 MET 1 -16.075 0.174 13.361
10 HE2 MET 1 HE2 MET 1 -14.825 0.709 12.240
11 HE3 MET 1 HE3 MET 1 -15.209 1.684 13.658
12 H ALA 2 HN ALA 2 -8.635 2.627 11.264
13 HA ALA 2 HA ALA 2 -8.758 1.113 8.809
14 HB1 ALA 2 HB1 ALA 2 -10.148 2.943 8.122
15 HB2 ALA 2 HB2 ALA 2 -8.564 3.151 7.367
16 HB3 ALA 2 HB3 ALA 2 -9.007 4.119 8.774
17 H SER 3 HN SER 3 -6.765 0.280 9.066
18 HA SER 3 HA SER 3 -4.572 1.864 10.060
19 HB2 SER 3 HB2 SER 3 -4.540 -0.946 8.940
20 HB3 SER 3 HB1 SER 3 -3.299 -0.195 9.943
21 HG SER 3 HG SER 3 -5.967 -0.841 10.686
22 H TYR 4 HN TYR 4 -5.784 2.718 7.582
23 HA TYR 4 HA TYR 4 -4.277 2.003 5.303
24 HB2 TYR 4 HB2 TYR 4 -6.532 3.146 5.386
25 HB3 TYR 4 HB1 TYR 4 -5.730 4.619 5.863
26 HD1 TYR 4 HD1 TYR 4 -3.492 3.318 3.599
27 HD2 TYR 4 HD2 TYR 4 -7.421 4.939 3.734
28 HE1 TYR 4 HE1 TYR 4 -3.338 3.887 1.210
29 HE2 TYR 4 HE2 TYR 4 -7.277 5.516 1.353
30 HH TYR 4 HH TYR 4 -4.819 4.298 -0.671
31 H TYR 5 HN TYR 5 -3.859 4.528 7.758
32 HA TYR 5 HA TYR 5 -1.602 5.725 6.535
33 HB2 TYR 5 HB2 TYR 5 -1.146 6.646 8.847
34 HB3 TYR 5 HB1 TYR 5 -2.719 7.033 8.168
35 HD1 TYR 5 HD2 TYR 5 -0.946 5.103 10.733
36 HD2 TYR 5 HD1 TYR 5 -4.748 6.182 9.161
37 HE1 TYR 5 HE2 TYR 5 -2.018 4.254 12.770
38 HE2 TYR 5 HE1 TYR 5 -5.833 5.338 11.203
39 HH TYR 5 HH TYR 5 -4.105 4.604 14.027
40 H GLU 6 HN GLU 6 -2.011 2.962 8.622
41 HA GLU 6 HA GLU 6 0.749 2.608 9.225
42 HB2 GLU 6 HB2 GLU 6 -1.610 0.742 9.371
43 HB3 GLU 6 HB1 GLU 6 0.014 0.283 9.869
44 HG2 GLU 6 HG2 GLU 6 -1.567 2.567 11.003
45 HG3 GLU 6 HG1 GLU 6 -1.400 0.974 11.746
46 H ILE 7 HN ILE 7 -1.465 1.241 6.831
47 HA ILE 7 HA ILE 7 0.398 -0.658 5.850
48 HB ILE 7 HB ILE 7 -1.185 -1.095 4.057
49 HG12 ILE 7 HG12 ILE 7 -3.457 0.280 4.399
50 HG13 ILE 7 HG11 ILE 7 -2.307 1.533 4.849
51 HG21 ILE 7 HG21 ILE 7 -3.003 -1.884 5.360
52 HG22 ILE 7 HG22 ILE 7 -2.720 -0.658 6.596
53 HG23 ILE 7 HG23 ILE 7 -1.556 -1.968 6.367
54 HD11 ILE 7 HD11 ILE 7 -1.221 1.356 2.700
55 HD12 ILE 7 HD12 ILE 7 -2.954 1.623 2.481
56 HD13 ILE 7 HD13 ILE 7 -2.272 0.013 2.253
57 H LEU 8 HN LEU 8 -0.507 2.589 4.849
58 HA LEU 8 HA LEU 8 1.380 2.394 2.617
59 HB2 LEU 8 HB2 LEU 8 -0.936 3.166 2.165
60 HB3 LEU 8 HB1 LEU 8 -0.647 4.547 3.206
61 HG LEU 8 HG LEU 8 1.148 5.297 1.681
62 HD11 LEU 8 HD11 LEU 8 1.767 3.134 0.748
63 HD12 LEU 8 HD12 LEU 8 1.335 4.269 -0.529
64 HD13 LEU 8 HD13 LEU 8 0.196 3.014 -0.043
65 HD21 LEU 8 HD21 LEU 8 -1.120 6.159 1.462
66 HD22 LEU 8 HD22 LEU 8 -1.525 4.833 0.372
67 HD23 LEU 8 HD23 LEU 8 -0.329 6.036 -0.108
68 H ASP 9 HN ASP 9 0.399 5.204 4.501
69 HA ASP 9 HA ASP 9 2.684 5.740 5.942
70 HB2 ASP 9 HB2 ASP 9 3.912 5.741 3.805
71 HB3 ASP 9 HB1 ASP 9 2.825 6.976 3.177
72 H VAL 10 HN VAL 10 0.041 6.874 4.027
73 HA VAL 10 HA VAL 10 -0.167 9.294 5.691
74 HB VAL 10 HB VAL 10 -1.328 10.377 3.797
75 HG11 VAL 10 HG11 VAL 10 1.066 10.720 4.130
76 HG12 VAL 10 HG12 VAL 10 0.641 10.766 2.420
77 HG13 VAL 10 HG13 VAL 10 1.411 9.331 3.099
78 HG21 VAL 10 HG21 VAL 10 -2.171 8.378 2.672
79 HG22 VAL 10 HG22 VAL 10 -0.523 7.920 2.236
80 HG23 VAL 10 HG23 VAL 10 -1.241 9.385 1.565
81 HA PRO 11 HA PRO 11 -4.203 7.926 6.868
82 HB2 PRO 11 HB2 PRO 11 -5.404 10.251 7.462
83 HB3 PRO 11 HB1 PRO 11 -4.046 9.640 8.416
84 HG2 PRO 11 HG2 PRO 11 -4.054 11.710 6.249
85 HG3 PRO 11 HG1 PRO 11 -3.240 11.747 7.825
86 HD2 PRO 11 HD2 PRO 11 -1.978 11.086 5.501
87 HD3 PRO 11 HD1 PRO 11 -1.490 10.453 7.087
88 H ARG 12 HN ARG 12 -6.632 8.723 6.559
89 HA ARG 12 HA ARG 12 -7.138 8.234 3.759
90 HB2 ARG 12 HB2 ARG 12 -9.068 8.687 6.042
91 HB3 ARG 12 HB1 ARG 12 -9.474 8.029 4.461
92 HG2 ARG 12 HG2 ARG 12 -8.251 6.043 4.878
93 HG3 ARG 12 HG1 ARG 12 -7.507 6.738 6.321
94 HD2 ARG 12 HD2 ARG 12 -9.296 5.164 6.889
95 HD3 ARG 12 HD1 ARG 12 -9.657 6.799 7.435
96 HE ARG 12 HE ARG 12 -10.780 5.862 4.895
97 HH11 ARG 12 HH11 ARG 12 -11.238 6.858 8.229
98 HH12 ARG 12 HH12 ARG 12 -12.962 7.016 8.069
99 HH21 ARG 12 HH21 ARG 12 -13.037 6.065 4.691
100 HH22 ARG 12 HH22 ARG 12 -13.984 6.591 6.059
101 H SER 13 HN SER 13 -6.752 10.960 5.648
102 HA SER 13 HA SER 13 -8.584 12.726 4.353
103 HB2 SER 13 HB2 SER 13 -6.037 13.480 5.803
104 HB3 SER 13 HB1 SER 13 -7.483 14.467 5.578
105 HG SER 13 HG SER 13 -8.595 12.768 6.818
106 H ALA 14 HN ALA 14 -5.778 11.230 3.332
107 HA ALA 14 HA ALA 14 -4.802 13.341 1.632
108 HB1 ALA 14 HB1 ALA 14 -3.220 11.828 2.630
109 HB2 ALA 14 HB2 ALA 14 -3.230 11.576 0.890
110 HB3 ALA 14 HB3 ALA 14 -4.056 10.438 1.942
111 H SER 15 HN SER 15 -5.008 13.425 -0.578
112 HA SER 15 HA SER 15 -7.283 12.087 -1.735
113 HB2 SER 15 HB2 SER 15 -5.286 13.905 -3.088
114 HB3 SER 15 HB1 SER 15 -6.917 13.518 -3.630
115 HG SER 15 HG SER 15 -7.199 14.459 -1.197
116 H ALA 16 HN ALA 16 -7.035 11.142 -3.984
117 HA ALA 16 HA ALA 16 -5.575 8.796 -3.851
118 HB1 ALA 16 HB1 ALA 16 -7.487 9.180 -5.361
119 HB2 ALA 16 HB2 ALA 16 -6.102 8.461 -6.183
120 HB3 ALA 16 HB3 ALA 16 -6.452 10.178 -6.384
121 H ASP 17 HN ASP 17 -4.703 11.827 -5.477
122 HA ASP 17 HA ASP 17 -2.290 10.961 -6.629
123 HB2 ASP 17 HB2 ASP 17 -3.286 13.666 -5.771
124 HB3 ASP 17 HB1 ASP 17 -1.672 13.461 -6.437
125 H ASP 18 HN ASP 18 -3.041 12.128 -3.413
126 HA ASP 18 HA ASP 18 -0.341 12.466 -2.572
127 HB2 ASP 18 HB2 ASP 18 -2.411 13.525 -1.516
128 HB3 ASP 18 HB1 ASP 18 -2.696 11.966 -0.750
129 H ILE 19 HN ILE 19 -2.744 9.872 -2.153
130 HA ILE 19 HA ILE 19 -1.095 8.100 -0.745
131 HB ILE 19 HB ILE 19 -3.567 7.816 -2.363
132 HG12 ILE 19 HG12 ILE 19 -4.076 6.497 -0.146
133 HG13 ILE 19 HG11 ILE 19 -2.652 7.359 0.431
134 HG21 ILE 19 HG21 ILE 19 -2.251 5.920 -3.162
135 HG22 ILE 19 HG22 ILE 19 -3.606 5.402 -2.162
136 HG23 ILE 19 HG23 ILE 19 -1.973 5.411 -1.496
137 HD11 ILE 19 HD11 ILE 19 -5.276 8.450 -0.458
138 HD12 ILE 19 HD12 ILE 19 -3.824 9.447 -0.489
139 HD13 ILE 19 HD13 ILE 19 -4.384 8.752 1.036
140 H LYS 20 HN LYS 20 -1.586 8.519 -4.238
141 HA LYS 20 HA LYS 20 0.172 6.576 -5.159
142 HB2 LYS 20 HB2 LYS 20 -0.605 9.261 -6.252
143 HB3 LYS 20 HB1 LYS 20 0.598 8.274 -7.074
144 HG2 LYS 20 HG2 LYS 20 -1.055 6.447 -7.221
145 HG3 LYS 20 HG1 LYS 20 -2.257 7.517 -6.493
146 HD2 LYS 20 HD2 LYS 20 -2.160 9.014 -8.344
147 HD3 LYS 20 HD1 LYS 20 -0.746 8.195 -9.008
148 HE2 LYS 20 HE2 LYS 20 -3.484 6.967 -8.716
149 HE3 LYS 20 HE1 LYS 20 -2.830 7.644 -10.207
150 HZ1 LYS 20 HZ1 LYS 20 -2.556 5.271 -10.198
151 HZ2 LYS 20 HZ2 LYS 20 -1.746 5.313 -8.712
152 HZ3 LYS 20 HZ3 LYS 20 -1.028 6.000 -10.088
153 H LYS 21 HN LYS 21 0.882 9.903 -4.187
154 HA LYS 21 HA LYS 21 3.641 9.805 -4.704
155 HB2 LYS 21 HB2 LYS 21 2.176 11.851 -4.271
156 HB3 LYS 21 HB1 LYS 21 2.331 11.477 -2.562
157 HG2 LYS 21 HG2 LYS 21 3.915 13.203 -3.340
158 HG3 LYS 21 HG1 LYS 21 4.708 11.785 -2.647
159 HD2 LYS 21 HD2 LYS 21 4.311 11.413 -5.470
160 HD3 LYS 21 HD1 LYS 21 5.153 12.936 -5.171
161 HE2 LYS 21 HE2 LYS 21 5.993 10.385 -3.840
162 HE3 LYS 21 HE1 LYS 21 6.557 10.812 -5.452
163 HZ1 LYS 21 HZ1 LYS 21 7.563 12.783 -4.600
164 HZ2 LYS 21 HZ2 LYS 21 8.069 11.496 -3.613
165 HZ3 LYS 21 HZ3 LYS 21 6.866 12.560 -3.068
166 H ALA 22 HN ALA 22 1.707 8.854 -1.952
167 HA ALA 22 HA ALA 22 3.796 8.566 -0.079
168 HB1 ALA 22 HB1 ALA 22 1.162 7.114 -0.105
169 HB2 ALA 22 HB2 ALA 22 1.406 8.745 0.512
170 HB3 ALA 22 HB3 ALA 22 2.216 7.382 1.283
171 H TYR 23 HN TYR 23 2.268 6.167 -2.281
172 HA TYR 23 HA TYR 23 3.875 4.069 -1.264
173 HB2 TYR 23 HB2 TYR 23 3.210 2.696 -3.130
174 HB3 TYR 23 HB1 TYR 23 1.816 3.527 -2.474
175 HD1 TYR 23 HD1 TYR 23 4.351 4.018 -5.201
176 HD2 TYR 23 HD2 TYR 23 0.290 4.301 -3.987
177 HE1 TYR 23 HE1 TYR 23 3.722 4.678 -7.486
178 HE2 TYR 23 HE2 TYR 23 -0.346 4.976 -6.259
179 HH TYR 23 HH TYR 23 1.768 4.718 -8.927
180 H ARG 24 HN ARG 24 4.322 6.398 -3.849
181 HA ARG 24 HA ARG 24 6.619 5.319 -5.005
182 HB2 ARG 24 HB2 ARG 24 5.812 8.209 -4.632
183 HB3 ARG 24 HB1 ARG 24 7.200 7.702 -5.584
184 HG2 ARG 24 HG2 ARG 24 5.783 6.522 -7.113
185 HG3 ARG 24 HG1 ARG 24 4.369 6.842 -6.102
186 HD2 ARG 24 HD2 ARG 24 4.385 8.395 -7.934
187 HD3 ARG 24 HD1 ARG 24 4.731 9.252 -6.429
188 HE ARG 24 HE ARG 24 7.124 9.173 -7.119
189 HH11 ARG 24 HH11 ARG 24 4.605 8.877 -9.534
190 HH12 ARG 24 HH12 ARG 24 5.587 9.503 -10.824
191 HH21 ARG 24 HH21 ARG 24 8.411 10.010 -8.804
192 HH22 ARG 24 HH22 ARG 24 7.765 10.135 -10.413
193 H ARG 25 HN ARG 25 6.328 7.453 -2.155
194 HA ARG 25 HA ARG 25 9.132 7.735 -1.834
195 HB2 ARG 25 HB2 ARG 25 8.687 8.831 0.211
196 HB3 ARG 25 HB1 ARG 25 7.351 9.249 -0.847
197 HG2 ARG 25 HG2 ARG 25 5.973 7.534 0.260
198 HG3 ARG 25 HG1 ARG 25 7.314 7.203 1.358
199 HD2 ARG 25 HD2 ARG 25 5.776 9.779 1.076
200 HD3 ARG 25 HD1 ARG 25 5.764 8.676 2.451
201 HE ARG 25 HE ARG 25 8.330 9.843 1.738
202 HH11 ARG 25 HH11 ARG 25 5.554 9.828 3.877
203 HH12 ARG 25 HH12 ARG 25 6.300 10.873 5.054
204 HH21 ARG 25 HH21 ARG 25 9.312 11.211 3.262
205 HH22 ARG 25 HH22 ARG 25 8.439 11.679 4.696
206 H LYS 26 HN LYS 26 6.784 5.424 -0.597
207 HA LYS 26 HA LYS 26 8.568 4.063 1.131
208 HB2 LYS 26 HB2 LYS 26 6.230 3.703 1.421
209 HB3 LYS 26 HB1 LYS 26 6.028 3.211 -0.254
210 HG2 LYS 26 HG2 LYS 26 7.170 1.156 0.133
211 HG3 LYS 26 HG1 LYS 26 7.663 1.672 1.747
212 HD2 LYS 26 HD2 LYS 26 4.778 1.457 0.961
213 HD3 LYS 26 HD1 LYS 26 5.680 0.064 1.570
214 HE2 LYS 26 HE2 LYS 26 6.243 1.371 3.595
215 HE3 LYS 26 HE1 LYS 26 5.244 2.692 2.995
216 HZ1 LYS 26 HZ1 LYS 26 4.194 -0.043 3.479
217 HZ2 LYS 26 HZ2 LYS 26 3.309 1.376 3.201
218 HZ3 LYS 26 HZ3 LYS 26 4.163 1.183 4.648
219 H ALA 27 HN ALA 27 7.748 3.713 -2.277
220 HA ALA 27 HA ALA 27 9.153 1.401 -2.899
221 HB1 ALA 27 HB1 ALA 27 9.016 3.802 -4.705
222 HB2 ALA 27 HB2 ALA 27 7.639 2.747 -4.400
223 HB3 ALA 27 HB3 ALA 27 9.093 2.098 -5.157
224 H LEU 28 HN LEU 28 10.326 4.736 -2.683
225 HA LEU 28 HA LEU 28 13.006 4.148 -3.383
226 HB2 LEU 28 HB2 LEU 28 11.727 6.428 -1.918
227 HB3 LEU 28 HB1 LEU 28 13.472 6.298 -1.994
228 HG LEU 28 HG LEU 28 12.999 7.732 -3.741
229 HD11 LEU 28 HD11 LEU 28 14.381 5.910 -4.549
230 HD12 LEU 28 HD12 LEU 28 13.339 6.524 -5.831
231 HD13 LEU 28 HD13 LEU 28 12.942 5.008 -5.022
232 HD21 LEU 28 HD21 LEU 28 10.621 7.669 -3.697
233 HD22 LEU 28 HD22 LEU 28 10.601 6.029 -4.343
234 HD23 LEU 28 HD23 LEU 28 11.146 7.368 -5.354
235 H GLN 29 HN GLN 29 11.264 4.058 -0.331
236 HA GLN 29 HA GLN 29 13.483 3.880 1.382
237 HB2 GLN 29 HB2 GLN 29 11.207 4.375 2.155
238 HB3 GLN 29 HB1 GLN 29 10.714 2.733 1.765
239 HG2 GLN 29 HG2 GLN 29 11.120 3.046 4.159
240 HG3 GLN 29 HG1 GLN 29 12.197 1.844 3.447
241 HE21 GLN 29 HE21 GLN 29 13.736 2.057 5.049
242 HE22 GLN 29 HE22 GLN 29 14.732 3.465 5.202
243 H TRP 30 HN TRP 30 11.798 1.331 -0.438
244 HA TRP 30 HA TRP 30 13.710 -0.591 0.706
245 HB2 TRP 30 HB2 TRP 30 12.241 -2.371 -0.262
246 HB3 TRP 30 HB1 TRP 30 11.485 -1.405 0.995
247 HD1 TRP 30 HD1 TRP 30 9.253 -0.244 0.417
248 HE1 TRP 30 HE1 TRP 30 7.772 -0.112 -1.679
249 HE3 TRP 30 HE3 TRP 30 12.459 -2.310 -2.995
250 HZ2 TRP 30 HZ2 TRP 30 7.929 -0.790 -4.407
251 HZ3 TRP 30 HZ3 TRP 30 11.710 -2.535 -5.324
252 HH2 TRP 30 HH2 TRP 30 9.490 -1.791 -6.017
253 H HIS 31 HN HIS 31 13.834 1.448 -1.600
254 HA HIS 31 HA HIS 31 14.445 -0.087 -3.929
255 HB2 HIS 31 HB2 HIS 31 13.789 2.415 -3.714
256 HB3 HIS 31 HB1 HIS 31 15.476 2.683 -3.309
257 HD1 HIS 31 HD1 HIS 31 16.994 3.108 -5.207
258 HD2 HIS 31 HD2 HIS 31 13.466 1.246 -6.407
259 HE1 HIS 31 HE1 HIS 31 17.074 3.046 -7.726
260 HE2 HIS 31 HE2 HIS 31 14.894 1.993 -8.439
261 HA PRO 32 HA PRO 32 18.162 -1.993 -2.881
262 HB2 PRO 32 HB2 PRO 32 19.680 -1.604 -5.164
263 HB3 PRO 32 HB1 PRO 32 18.445 -2.851 -4.957
264 HG2 PRO 32 HG2 PRO 32 18.210 -0.145 -6.226
265 HG3 PRO 32 HG1 PRO 32 17.583 -1.703 -6.791
266 HD2 PRO 32 HD2 PRO 32 15.949 0.004 -5.620
267 HD3 PRO 32 HD1 PRO 32 15.863 -1.721 -5.193
268 H ASP 33 HN ASP 33 18.576 1.288 -4.102
269 HA ASP 33 HA ASP 33 21.274 1.525 -3.230
270 HB2 ASP 33 HB2 ASP 33 21.061 3.875 -3.669
271 HB3 ASP 33 HB1 ASP 33 20.262 2.991 -4.959
272 H LYS 34 HN LYS 34 18.179 1.988 -1.701
273 HA LYS 34 HA LYS 34 19.402 3.017 0.739
274 HB2 LYS 34 HB2 LYS 34 16.651 2.819 -0.308
275 HB3 LYS 34 HB1 LYS 34 16.807 2.555 1.420
276 HG2 LYS 34 HG2 LYS 34 16.315 4.852 1.062
277 HG3 LYS 34 HG1 LYS 34 17.998 4.735 1.579
278 HD2 LYS 34 HD2 LYS 34 18.760 5.010 -0.686
279 HD3 LYS 34 HD1 LYS 34 17.101 4.967 -1.288
280 HE2 LYS 34 HE2 LYS 34 17.827 7.249 -1.225
281 HE3 LYS 34 HE1 LYS 34 16.626 7.008 0.041
282 HZ1 LYS 34 HZ1 LYS 34 18.398 8.288 0.935
283 HZ2 LYS 34 HZ2 LYS 34 19.570 7.204 0.369
284 HZ3 LYS 34 HZ3 LYS 34 18.523 6.741 1.617
285 H ASN 35 HN ASN 35 17.595 0.171 -0.369
286 HA ASN 35 HA ASN 35 18.283 -1.223 2.134
287 HB2 ASN 35 HB2 ASN 35 15.876 -1.066 1.305
288 HB3 ASN 35 HB1 ASN 35 16.349 -2.088 -0.048
289 HD21 ASN 35 HD21 ASN 35 15.019 -3.733 0.478
290 HD22 ASN 35 HD22 ASN 35 15.254 -4.749 1.855
291 HA PRO 36 HA PRO 36 21.357 -3.077 -0.360
292 HB2 PRO 36 HB2 PRO 36 22.630 -4.431 1.624
293 HB3 PRO 36 HB1 PRO 36 22.693 -2.680 1.427
294 HG2 PRO 36 HG2 PRO 36 21.349 -4.258 3.480
295 HG3 PRO 36 HG1 PRO 36 21.707 -2.526 3.457
296 HD2 PRO 36 HD2 PRO 36 19.214 -3.883 2.851
297 HD3 PRO 36 HD1 PRO 36 19.519 -2.145 3.025
298 H ASP 37 HN ASP 37 21.503 -5.737 1.830
299 HA ASP 37 HA ASP 37 21.416 -7.459 -0.497
300 HB2 ASP 37 HB2 ASP 37 23.290 -7.622 1.069
301 HB3 ASP 37 HB1 ASP 37 22.179 -8.053 2.359
302 H ASN 38 HN ASN 38 19.194 -6.508 1.806
303 HA ASN 38 HA ASN 38 17.839 -9.094 1.862
304 HB2 ASN 38 HB2 ASN 38 18.093 -7.699 3.951
305 HB3 ASN 38 HB1 ASN 38 17.006 -6.523 3.219
306 HD21 ASN 38 HD21 ASN 38 16.773 -8.182 5.644
307 HD22 ASN 38 HD22 ASN 38 15.284 -9.047 5.464
308 H LYS 39 HN LYS 39 16.905 -9.397 -0.085
309 HA LYS 39 HA LYS 39 15.336 -7.230 -1.260
310 HB2 LYS 39 HB2 LYS 39 16.206 -9.921 -2.295
311 HB3 LYS 39 HB1 LYS 39 15.001 -8.952 -3.129
312 HG2 LYS 39 HG2 LYS 39 17.027 -8.505 -4.213
313 HG3 LYS 39 HG1 LYS 39 16.727 -7.101 -3.193
314 HD2 LYS 39 HD2 LYS 39 18.276 -8.010 -1.513
315 HD3 LYS 39 HD1 LYS 39 18.581 -9.396 -2.561
316 HE2 LYS 39 HE2 LYS 39 19.173 -6.510 -3.209
317 HE3 LYS 39 HE1 LYS 39 20.357 -7.738 -2.760
318 HZ1 LYS 39 HZ1 LYS 39 20.331 -7.454 -5.134
319 HZ2 LYS 39 HZ2 LYS 39 18.664 -7.732 -5.204
320 HZ3 LYS 39 HZ3 LYS 39 19.714 -8.988 -4.759
321 H GLU 40 HN GLU 40 14.999 -9.993 0.657
322 HA GLU 40 HA GLU 40 12.490 -11.001 0.019
323 HB2 GLU 40 HB2 GLU 40 14.085 -11.971 1.672
324 HB3 GLU 40 HB1 GLU 40 13.704 -10.658 2.774
325 HG2 GLU 40 HG2 GLU 40 12.481 -12.540 3.491
326 HG3 GLU 40 HG1 GLU 40 11.327 -11.439 2.741
327 H PHE 41 HN PHE 41 13.372 -8.355 2.224
328 HA PHE 41 HA PHE 41 10.677 -7.656 2.833
329 HB2 PHE 41 HB2 PHE 41 13.324 -6.400 3.349
330 HB3 PHE 41 HB1 PHE 41 11.869 -5.426 3.505
331 HD1 PHE 41 HD2 PHE 41 10.119 -6.068 5.129
332 HD2 PHE 41 HD1 PHE 41 13.905 -7.999 4.993
333 HE1 PHE 41 HE2 PHE 41 9.745 -6.946 7.396
334 HE2 PHE 41 HE1 PHE 41 13.540 -8.881 7.259
335 HZ PHE 41 HZ PHE 41 11.459 -8.353 8.464
336 H ALA 42 HN ALA 42 13.014 -6.493 0.461
337 HA ALA 42 HA ALA 42 11.636 -4.131 -0.195
338 HB1 ALA 42 HB1 ALA 42 13.618 -5.765 -1.771
339 HB2 ALA 42 HB2 ALA 42 13.930 -4.303 -0.819
340 HB3 ALA 42 HB3 ALA 42 12.988 -4.209 -2.311
341 H GLU 43 HN GLU 43 11.555 -7.369 -1.721
342 HA GLU 43 HA GLU 43 9.570 -6.577 -3.614
343 HB2 GLU 43 HB2 GLU 43 9.330 -8.966 -4.127
344 HB3 GLU 43 HB1 GLU 43 11.001 -8.433 -4.163
345 HG2 GLU 43 HG2 GLU 43 11.376 -9.442 -1.978
346 HG3 GLU 43 HG1 GLU 43 9.691 -9.963 -1.928
347 H LYS 44 HN LYS 44 9.486 -8.034 -0.418
348 HA LYS 44 HA LYS 44 6.763 -8.795 -0.487
349 HB2 LYS 44 HB2 LYS 44 8.761 -9.317 1.207
350 HB3 LYS 44 HB1 LYS 44 7.996 -8.013 2.102
351 HG2 LYS 44 HG2 LYS 44 7.204 -10.240 2.785
352 HG3 LYS 44 HG1 LYS 44 5.909 -9.214 2.162
353 HD2 LYS 44 HD2 LYS 44 5.795 -11.548 1.324
354 HD3 LYS 44 HD1 LYS 44 5.957 -10.351 0.037
355 HE2 LYS 44 HE2 LYS 44 7.404 -12.213 -0.436
356 HE3 LYS 44 HE1 LYS 44 8.390 -10.811 -0.024
357 HZ1 LYS 44 HZ1 LYS 44 8.489 -11.754 2.282
358 HZ2 LYS 44 HZ2 LYS 44 9.310 -12.645 1.095
359 HZ3 LYS 44 HZ3 LYS 44 7.797 -13.173 1.659
360 H LYS 45 HN LYS 45 8.401 -5.833 0.562
361 HA LYS 45 HA LYS 45 6.031 -4.576 1.508
362 HB2 LYS 45 HB2 LYS 45 8.719 -3.464 0.708
363 HB3 LYS 45 HB1 LYS 45 7.403 -2.454 1.300
364 HG2 LYS 45 HG2 LYS 45 8.851 -4.640 2.763
365 HG3 LYS 45 HG1 LYS 45 8.790 -2.920 3.158
366 HD2 LYS 45 HD2 LYS 45 6.379 -3.130 3.581
367 HD3 LYS 45 HD1 LYS 45 6.485 -4.843 3.208
368 HE2 LYS 45 HE2 LYS 45 8.025 -5.149 5.082
369 HE3 LYS 45 HE1 LYS 45 7.874 -3.439 5.479
370 HZ1 LYS 45 HZ1 LYS 45 5.609 -5.362 5.424
371 HZ2 LYS 45 HZ2 LYS 45 5.554 -3.745 5.938
372 HZ3 LYS 45 HZ3 LYS 45 6.430 -4.886 6.832
373 H PHE 46 HN PHE 46 7.705 -4.671 -1.576
374 HA PHE 46 HA PHE 46 6.106 -2.858 -2.994
375 HB2 PHE 46 HB2 PHE 46 8.111 -3.752 -4.001
376 HB3 PHE 46 HB1 PHE 46 7.491 -5.396 -3.893
377 HD1 PHE 46 HD1 PHE 46 6.871 -2.115 -5.514
378 HD2 PHE 46 HD2 PHE 46 6.301 -6.329 -5.655
379 HE1 PHE 46 HE1 PHE 46 5.935 -1.910 -7.781
380 HE2 PHE 46 HE2 PHE 46 5.362 -6.133 -7.920
381 HZ PHE 46 HZ PHE 46 5.181 -3.920 -8.988
382 H LYS 47 HN LYS 47 5.676 -6.298 -2.309
383 HA LYS 47 HA LYS 47 3.245 -6.611 -3.719
384 HB2 LYS 47 HB2 LYS 47 4.681 -8.491 -3.029
385 HB3 LYS 47 HB1 LYS 47 4.298 -8.162 -1.345
386 HG2 LYS 47 HG2 LYS 47 1.937 -8.652 -1.802
387 HG3 LYS 47 HG1 LYS 47 2.357 -9.026 -3.475
388 HD2 LYS 47 HD2 LYS 47 3.831 -10.819 -2.702
389 HD3 LYS 47 HD1 LYS 47 3.403 -10.450 -1.030
390 HE2 LYS 47 HE2 LYS 47 1.062 -10.976 -1.523
391 HE3 LYS 47 HE1 LYS 47 1.499 -11.356 -3.187
392 HZ1 LYS 47 HZ1 LYS 47 2.896 -13.152 -2.379
393 HZ2 LYS 47 HZ2 LYS 47 1.303 -13.345 -1.826
394 HZ3 LYS 47 HZ3 LYS 47 2.499 -12.775 -0.773
395 H GLU 48 HN GLU 48 3.988 -5.817 -0.350
396 HA GLU 48 HA GLU 48 1.358 -5.899 0.640
397 HB2 GLU 48 HB2 GLU 48 3.811 -4.406 1.556
398 HB3 GLU 48 HB1 GLU 48 2.286 -4.322 2.422
399 HG2 GLU 48 HG2 GLU 48 2.366 -6.754 2.758
400 HG3 GLU 48 HG1 GLU 48 3.919 -6.801 1.924
401 H VAL 49 HN VAL 49 3.268 -3.208 -0.700
402 HA VAL 49 HA VAL 49 1.215 -1.300 -0.173
403 HB VAL 49 HB VAL 49 3.522 -0.566 -0.322
404 HG11 VAL 49 HG11 VAL 49 4.671 -0.390 -2.477
405 HG12 VAL 49 HG12 VAL 49 3.370 -1.323 -3.204
406 HG13 VAL 49 HG13 VAL 49 4.394 -2.059 -1.981
407 HG21 VAL 49 HG21 VAL 49 3.203 1.416 -1.633
408 HG22 VAL 49 HG22 VAL 49 1.686 1.002 -0.834
409 HG23 VAL 49 HG23 VAL 49 1.909 0.642 -2.545
410 H ALA 50 HN ALA 50 2.085 -3.269 -2.977
411 HA ALA 50 HA ALA 50 0.570 -1.861 -4.875
412 HB1 ALA 50 HB1 ALA 50 1.127 -4.821 -4.874
413 HB2 ALA 50 HB2 ALA 50 2.280 -3.592 -5.382
414 HB3 ALA 50 HB3 ALA 50 0.772 -3.802 -6.270
415 H GLU 51 HN GLU 51 -0.292 -4.636 -2.819
416 HA GLU 51 HA GLU 51 -2.943 -4.820 -3.863
417 HB2 GLU 51 HB2 GLU 51 -3.354 -6.381 -2.009
418 HB3 GLU 51 HB1 GLU 51 -1.871 -6.765 -2.868
419 HG2 GLU 51 HG2 GLU 51 -0.568 -5.706 -1.091
420 HG3 GLU 51 HG1 GLU 51 -2.057 -5.313 -0.241
421 H ALA 52 HN ALA 52 -1.506 -3.314 -1.023
422 HA ALA 52 HA ALA 52 -3.993 -2.724 0.227
423 HB1 ALA 52 HB1 ALA 52 -1.787 -3.057 1.370
424 HB2 ALA 52 HB2 ALA 52 -2.716 -1.652 1.904
425 HB3 ALA 52 HB3 ALA 52 -1.341 -1.442 0.816
426 H TYR 53 HN TYR 53 -1.750 -0.872 -1.781
427 HA TYR 53 HA TYR 53 -3.135 1.595 -1.440
428 HB2 TYR 53 HB2 TYR 53 -1.128 2.230 -2.234
429 HB3 TYR 53 HB1 TYR 53 -0.802 0.643 -2.914
430 HD1 TYR 53 HD1 TYR 53 -2.801 3.725 -3.595
431 HD2 TYR 53 HD2 TYR 53 -0.666 0.426 -5.218
432 HE1 TYR 53 HE1 TYR 53 -3.115 4.630 -5.847
433 HE2 TYR 53 HE2 TYR 53 -0.977 1.333 -7.484
434 HH TYR 53 HH TYR 53 -2.465 2.839 -8.679
435 H GLU 54 HN GLU 54 -3.187 -0.963 -3.872
436 HA GLU 54 HA GLU 54 -4.809 0.278 -5.769
437 HB2 GLU 54 HB2 GLU 54 -3.556 -2.112 -5.586
438 HB3 GLU 54 HB1 GLU 54 -5.216 -2.625 -5.324
439 HG2 GLU 54 HG2 GLU 54 -4.222 -1.064 -7.696
440 HG3 GLU 54 HG1 GLU 54 -4.530 -2.797 -7.667
441 H VAL 55 HN VAL 55 -5.741 -1.839 -3.054
442 HA VAL 55 HA VAL 55 -8.521 -1.641 -3.598
443 HB VAL 55 HB VAL 55 -7.626 -3.565 -2.400
444 HG11 VAL 55 HG11 VAL 55 -6.934 -3.410 -0.055
445 HG12 VAL 55 HG12 VAL 55 -7.074 -1.654 -0.135
446 HG13 VAL 55 HG13 VAL 55 -5.866 -2.486 -1.113
447 HG21 VAL 55 HG21 VAL 55 -9.966 -3.022 -2.095
448 HG22 VAL 55 HG22 VAL 55 -9.564 -1.956 -0.748
449 HG23 VAL 55 HG23 VAL 55 -9.297 -3.694 -0.607
450 H LEU 56 HN LEU 56 -6.410 0.046 -1.284
451 HA LEU 56 HA LEU 56 -8.591 1.378 -0.008
452 HB2 LEU 56 HB2 LEU 56 -5.630 1.458 0.197
453 HB3 LEU 56 HB1 LEU 56 -6.545 2.773 0.901
454 HG LEU 56 HG LEU 56 -7.180 -0.074 1.606
455 HD11 LEU 56 HD11 LEU 56 -5.700 0.367 3.612
456 HD12 LEU 56 HD12 LEU 56 -5.010 1.701 2.671
457 HD13 LEU 56 HD13 LEU 56 -4.880 0.039 2.085
458 HD21 LEU 56 HD21 LEU 56 -8.689 1.880 2.199
459 HD22 LEU 56 HD22 LEU 56 -7.385 2.418 3.268
460 HD23 LEU 56 HD23 LEU 56 -8.160 0.855 3.535
461 H SER 57 HN SER 57 -6.495 2.210 -2.686
462 HA SER 57 HA SER 57 -7.101 5.029 -2.505
463 HB2 SER 57 HB2 SER 57 -4.950 4.156 -3.447
464 HB3 SER 57 HB1 SER 57 -5.859 3.548 -4.831
465 HG SER 57 HG SER 57 -6.595 5.805 -5.066
466 H ASP 58 HN ASP 58 -8.630 2.274 -3.818
467 HA ASP 58 HA ASP 58 -10.240 3.984 -5.599
468 HB2 ASP 58 HB2 ASP 58 -8.921 2.025 -6.609
469 HB3 ASP 58 HB1 ASP 58 -10.092 0.984 -5.804
470 H LYS 59 HN LYS 59 -12.340 4.178 -5.208
471 HA LYS 59 HA LYS 59 -13.264 3.396 -2.625
472 HB2 LYS 59 HB2 LYS 59 -14.677 4.810 -4.890
473 HB3 LYS 59 HB1 LYS 59 -15.395 4.529 -3.309
474 HG2 LYS 59 HG2 LYS 59 -14.592 6.739 -3.275
475 HG3 LYS 59 HG1 LYS 59 -13.435 5.793 -2.340
476 HD2 LYS 59 HD2 LYS 59 -12.107 5.594 -4.503
477 HD3 LYS 59 HD1 LYS 59 -13.148 6.872 -5.127
478 HE2 LYS 59 HE2 LYS 59 -11.446 7.082 -2.642
479 HE3 LYS 59 HE1 LYS 59 -11.012 7.732 -4.223
480 HZ1 LYS 59 HZ1 LYS 59 -13.083 9.081 -4.098
481 HZ2 LYS 59 HZ2 LYS 59 -11.918 9.488 -2.939
482 HZ3 LYS 59 HZ3 LYS 59 -13.274 8.571 -2.490
483 H HIS 60 HN HIS 60 -13.635 2.267 -5.845
484 HA HIS 60 HA HIS 60 -15.907 0.577 -5.408
485 HB2 HIS 60 HB2 HIS 60 -13.700 0.149 -7.443
486 HB3 HIS 60 HB1 HIS 60 -15.324 -0.521 -7.492
487 HD1 HIS 60 HD1 HIS 60 -13.338 2.455 -8.375
488 HD2 HIS 60 HD2 HIS 60 -17.340 1.341 -8.237
489 HE1 HIS 60 HE1 HIS 60 -14.571 4.168 -9.756
490 HE2 HIS 60 HE2 HIS 60 -16.961 3.367 -9.795
491 H LYS 61 HN LYS 61 -12.421 0.124 -5.281
492 HA LYS 61 HA LYS 61 -12.518 -2.661 -4.716
493 HB2 LYS 61 HB2 LYS 61 -10.377 -0.572 -4.596
494 HB3 LYS 61 HB1 LYS 61 -10.091 -2.150 -3.885
495 HG2 LYS 61 HG2 LYS 61 -9.196 -2.044 -6.134
496 HG3 LYS 61 HG1 LYS 61 -10.518 -3.206 -6.048
497 HD2 LYS 61 HD2 LYS 61 -12.036 -1.533 -7.007
498 HD3 LYS 61 HD1 LYS 61 -10.698 -0.390 -7.119
499 HE2 LYS 61 HE2 LYS 61 -10.705 -3.084 -8.459
500 HE3 LYS 61 HE1 LYS 61 -11.265 -1.612 -9.242
501 HZ1 LYS 61 HZ1 LYS 61 -8.536 -1.909 -8.101
502 HZ2 LYS 61 HZ2 LYS 61 -9.107 -0.677 -9.122
503 HZ3 LYS 61 HZ3 LYS 61 -8.915 -2.251 -9.718
504 H ARG 62 HN ARG 62 -12.265 0.249 -2.733
505 HA ARG 62 HA ARG 62 -11.952 -0.952 -0.237
506 HB2 ARG 62 HB2 ARG 62 -13.047 1.637 -1.200
507 HB3 ARG 62 HB1 ARG 62 -13.453 1.157 0.443
508 HG2 ARG 62 HG2 ARG 62 -10.674 1.435 -0.680
509 HG3 ARG 62 HG1 ARG 62 -11.483 2.572 0.401
510 HD2 ARG 62 HD2 ARG 62 -10.719 -0.282 1.015
511 HD3 ARG 62 HD1 ARG 62 -9.985 1.176 1.684
512 HE ARG 62 HE ARG 62 -12.651 1.358 2.327
513 HH11 ARG 62 HH11 ARG 62 -10.071 -0.931 2.990
514 HH12 ARG 62 HH12 ARG 62 -10.792 -1.493 4.471
515 HH21 ARG 62 HH21 ARG 62 -13.574 0.631 4.255
516 HH22 ARG 62 HH22 ARG 62 -12.784 -0.604 5.191
517 H GLU 63 HN GLU 63 -14.875 -0.369 -2.133
518 HA GLU 63 HA GLU 63 -16.693 -1.312 -0.187
519 HB2 GLU 63 HB2 GLU 63 -16.884 -1.172 -3.198
520 HB3 GLU 63 HB1 GLU 63 -18.213 -1.699 -2.174
521 HG2 GLU 63 HG2 GLU 63 -16.880 0.997 -2.112
522 HG3 GLU 63 HG1 GLU 63 -18.462 0.628 -2.799
523 H ILE 64 HN ILE 64 -14.923 -2.912 -2.795
524 HA ILE 64 HA ILE 64 -16.192 -5.418 -2.570
525 HB ILE 64 HB ILE 64 -13.438 -4.721 -3.603
526 HG12 ILE 64 HG12 ILE 64 -15.260 -3.694 -4.868
527 HG13 ILE 64 HG11 ILE 64 -14.490 -4.960 -5.818
528 HG21 ILE 64 HG21 ILE 64 -14.967 -7.305 -3.876
529 HG22 ILE 64 HG22 ILE 64 -13.472 -7.058 -2.974
530 HG23 ILE 64 HG23 ILE 64 -13.478 -6.907 -4.730
531 HD11 ILE 64 HD11 ILE 64 -16.928 -4.984 -6.039
532 HD12 ILE 64 HD12 ILE 64 -17.077 -5.255 -4.303
533 HD13 ILE 64 HD13 ILE 64 -16.316 -6.475 -5.322
534 H TYR 65 HN TYR 65 -13.235 -4.122 -1.098
535 HA TYR 65 HA TYR 65 -12.494 -6.533 0.178
536 HB2 TYR 65 HB2 TYR 65 -10.977 -4.590 -0.248
537 HB3 TYR 65 HB1 TYR 65 -11.784 -3.738 1.064
538 HD1 TYR 65 HD1 TYR 65 -9.982 -6.918 0.348
539 HD2 TYR 65 HD2 TYR 65 -10.939 -3.936 3.226
540 HE1 TYR 65 HE1 TYR 65 -8.457 -7.985 1.952
541 HE2 TYR 65 HE2 TYR 65 -9.414 -4.997 4.839
542 HH TYR 65 HH TYR 65 -7.191 -7.447 3.930
543 H ASP 66 HN ASP 66 -14.505 -3.816 1.164
544 HA ASP 66 HA ASP 66 -14.713 -4.623 3.894
545 HB2 ASP 66 HB2 ASP 66 -15.056 -2.302 3.163
546 HB3 ASP 66 HB1 ASP 66 -16.492 -2.792 2.278
547 H ARG 67 HN ARG 67 -16.803 -4.968 1.056
548 HA ARG 67 HA ARG 67 -18.879 -6.215 2.620
549 HB2 ARG 67 HB2 ARG 67 -20.210 -6.163 0.671
550 HB3 ARG 67 HB1 ARG 67 -19.266 -4.684 0.635
551 HG2 ARG 67 HG2 ARG 67 -17.665 -6.268 -0.819
552 HG3 ARG 67 HG1 ARG 67 -19.223 -7.015 -1.171
553 HD2 ARG 67 HD2 ARG 67 -18.505 -4.113 -1.539
554 HD3 ARG 67 HD1 ARG 67 -18.675 -5.312 -2.817
555 HE ARG 67 HE ARG 67 -21.043 -5.383 -2.335
556 HH11 ARG 67 HH11 ARG 67 -19.286 -2.803 -0.747
557 HH12 ARG 67 HH12 ARG 67 -20.645 -1.731 -0.708
558 HH21 ARG 67 HH21 ARG 67 -22.821 -3.969 -2.307
559 HH22 ARG 67 HH22 ARG 67 -22.661 -2.389 -1.592
560 H TYR 68 HN TYR 68 -16.503 -7.310 0.213
561 HA TYR 68 HA TYR 68 -17.608 -10.015 0.364
562 HB2 TYR 68 HB2 TYR 68 -17.047 -8.867 -1.833
563 HB3 TYR 68 HB1 TYR 68 -15.355 -9.027 -1.393
564 HD1 TYR 68 HD1 TYR 68 -18.421 -10.925 -2.195
565 HD2 TYR 68 HD2 TYR 68 -14.196 -11.076 -1.710
566 HE1 TYR 68 HE1 TYR 68 -18.391 -13.168 -3.201
567 HE2 TYR 68 HE2 TYR 68 -14.156 -13.321 -2.714
568 HH TYR 68 HH TYR 68 -15.787 -15.247 -2.987
569 H GLY 69 HN GLY 69 -15.195 -8.153 1.773
570 HA2 GLY 69 HA2 GLY 69 -13.185 -10.123 2.186
571 HA3 GLY 69 HA1 GLY 69 -13.414 -8.647 3.122
572 H ARG 70 HN ARG 70 -15.747 -8.865 4.235
573 HA ARG 70 HA ARG 70 -15.427 -10.703 6.338
574 HB2 ARG 70 HB2 ARG 70 -17.839 -9.094 5.501
575 HB3 ARG 70 HB1 ARG 70 -17.727 -10.002 7.005
576 HG2 ARG 70 HG2 ARG 70 -15.986 -7.697 6.168
577 HG3 ARG 70 HG1 ARG 70 -17.243 -7.677 7.409
578 HD2 ARG 70 HD2 ARG 70 -15.956 -9.433 8.631
579 HD3 ARG 70 HD1 ARG 70 -14.668 -9.242 7.443
580 HE ARG 70 HE ARG 70 -15.575 -6.990 9.121
581 HH11 ARG 70 HH11 ARG 70 -13.032 -9.012 7.806
582 HH12 ARG 70 HH12 ARG 70 -11.749 -8.137 8.594
583 HH21 ARG 70 HH21 ARG 70 -13.886 -5.829 10.160
584 HH22 ARG 70 HH22 ARG 70 -12.239 -6.336 9.920
585 H GLU 71 HN GLU 71 -17.020 -11.004 3.274
586 HA GLU 71 HA GLU 71 -18.718 -13.185 3.972
587 HB2 GLU 71 HB2 GLU 71 -17.695 -12.210 1.303
588 HB3 GLU 71 HB1 GLU 71 -18.859 -13.514 1.483
589 HG2 GLU 71 HG2 GLU 71 -19.234 -10.663 2.369
590 HG3 GLU 71 HG1 GLU 71 -19.970 -11.427 0.959
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -7.831 1.363 13.825
2 H2 MET 1 HT2 MET 1 -8.845 0.523 12.760
3 H3 MET 1 HT3 MET 1 -9.399 0.924 14.310
4 HA MET 1 HA MET 1 -10.392 2.412 12.783
5 HB2 MET 1 HB2 MET 1 -8.080 3.834 14.119
6 HB3 MET 1 HB1 MET 1 -9.603 4.554 13.624
7 HG2 MET 1 HG2 MET 1 -9.195 2.520 15.798
8 HG3 MET 1 HG1 MET 1 -9.584 4.227 16.000
9 HE1 MET 1 HE1 MET 1 -12.834 2.379 17.176
10 HE2 MET 1 HE2 MET 1 -11.549 3.498 17.630
11 HE3 MET 1 HE3 MET 1 -11.183 1.793 17.362
12 H ALA 2 HN ALA 2 -10.090 1.988 10.650
13 HA ALA 2 HA ALA 2 -9.435 2.320 8.518
14 HB1 ALA 2 HB1 ALA 2 -9.262 4.696 9.115
15 HB2 ALA 2 HB2 ALA 2 -8.068 4.221 7.907
16 HB3 ALA 2 HB3 ALA 2 -7.583 4.443 9.589
17 H SER 3 HN SER 3 -6.468 2.790 10.426
18 HA SER 3 HA SER 3 -4.493 1.692 10.522
19 HB2 SER 3 HB2 SER 3 -6.014 -0.595 9.249
20 HB3 SER 3 HB1 SER 3 -4.444 -0.715 10.040
21 HG SER 3 HG SER 3 -5.758 0.354 11.877
22 H TYR 4 HN TYR 4 -5.858 2.577 7.647
23 HA TYR 4 HA TYR 4 -4.135 1.347 5.762
24 HB2 TYR 4 HB2 TYR 4 -5.638 3.963 5.469
25 HB3 TYR 4 HB1 TYR 4 -4.986 2.981 4.166
26 HD1 TYR 4 HD1 TYR 4 -5.861 0.398 4.330
27 HD2 TYR 4 HD2 TYR 4 -7.904 3.842 5.773
28 HE1 TYR 4 HE1 TYR 4 -8.001 -0.806 4.166
29 HE2 TYR 4 HE2 TYR 4 -10.043 2.645 5.621
30 HH TYR 4 HH TYR 4 -10.271 -0.690 5.207
31 H TYR 5 HN TYR 5 -3.851 4.191 7.755
32 HA TYR 5 HA TYR 5 -1.746 5.441 6.369
33 HB2 TYR 5 HB2 TYR 5 -1.288 6.573 8.562
34 HB3 TYR 5 HB1 TYR 5 -2.945 6.715 7.993
35 HD1 TYR 5 HD2 TYR 5 -4.735 5.373 9.081
36 HD2 TYR 5 HD1 TYR 5 -0.777 5.497 10.630
37 HE1 TYR 5 HE2 TYR 5 -5.555 4.510 11.227
38 HE2 TYR 5 HE1 TYR 5 -1.587 4.633 12.785
39 HH TYR 5 HH TYR 5 -3.670 4.516 14.064
40 H GLU 6 HN GLU 6 -1.822 2.839 8.704
41 HA GLU 6 HA GLU 6 1.008 2.719 9.042
42 HB2 GLU 6 HB2 GLU 6 -1.220 0.820 9.713
43 HB3 GLU 6 HB1 GLU 6 0.472 0.404 9.971
44 HG2 GLU 6 HG2 GLU 6 -0.953 2.764 11.155
45 HG3 GLU 6 HG1 GLU 6 -0.576 1.261 11.999
46 H ILE 7 HN ILE 7 -1.348 1.013 7.033
47 HA ILE 7 HA ILE 7 0.523 -0.897 6.069
48 HB ILE 7 HB ILE 7 -1.191 -1.607 4.509
49 HG12 ILE 7 HG12 ILE 7 -3.492 -0.265 4.945
50 HG13 ILE 7 HG11 ILE 7 -2.348 1.064 5.079
51 HG21 ILE 7 HG21 ILE 7 -1.551 -2.561 6.578
52 HG22 ILE 7 HG22 ILE 7 -3.117 -1.818 6.231
53 HG23 ILE 7 HG23 ILE 7 -1.986 -1.024 7.325
54 HD11 ILE 7 HD11 ILE 7 -1.482 0.518 2.852
55 HD12 ILE 7 HD12 ILE 7 -3.204 0.903 2.830
56 HD13 ILE 7 HD13 ILE 7 -2.674 -0.777 2.725
57 H LEU 8 HN LEU 8 -0.646 2.185 4.856
58 HA LEU 8 HA LEU 8 1.090 1.917 2.511
59 HB2 LEU 8 HB2 LEU 8 -1.277 2.575 2.164
60 HB3 LEU 8 HB1 LEU 8 -0.994 4.012 3.127
61 HG LEU 8 HG LEU 8 0.662 4.779 1.450
62 HD11 LEU 8 HD11 LEU 8 1.307 2.602 0.571
63 HD12 LEU 8 HD12 LEU 8 0.767 3.679 -0.717
64 HD13 LEU 8 HD13 LEU 8 -0.299 2.400 -0.129
65 HD21 LEU 8 HD21 LEU 8 -1.674 5.517 1.371
66 HD22 LEU 8 HD22 LEU 8 -2.063 4.160 0.315
67 HD23 LEU 8 HD23 LEU 8 -0.959 5.420 -0.238
68 H ASP 9 HN ASP 9 0.136 4.848 4.196
69 HA ASP 9 HA ASP 9 2.472 5.525 5.509
70 HB2 ASP 9 HB2 ASP 9 3.562 5.414 3.275
71 HB3 ASP 9 HB1 ASP 9 2.431 6.626 2.679
72 H VAL 10 HN VAL 10 -0.188 6.497 3.516
73 HA VAL 10 HA VAL 10 -0.675 8.798 5.285
74 HB VAL 10 HB VAL 10 -1.899 9.855 3.411
75 HG11 VAL 10 HG11 VAL 10 0.428 10.453 3.805
76 HG12 VAL 10 HG12 VAL 10 0.054 10.492 2.080
77 HG13 VAL 10 HG13 VAL 10 0.955 9.136 2.759
78 HG21 VAL 10 HG21 VAL 10 -0.833 7.546 1.790
79 HG22 VAL 10 HG22 VAL 10 -1.621 8.979 1.128
80 HG23 VAL 10 HG23 VAL 10 -2.525 7.873 2.162
81 HA PRO 11 HA PRO 11 -4.535 6.914 6.277
82 HB2 PRO 11 HB2 PRO 11 -6.037 9.019 6.949
83 HB3 PRO 11 HB1 PRO 11 -4.601 8.585 7.884
84 HG2 PRO 11 HG2 PRO 11 -4.911 10.679 5.762
85 HG3 PRO 11 HG1 PRO 11 -4.131 10.813 7.349
86 HD2 PRO 11 HD2 PRO 11 -2.749 10.388 5.040
87 HD3 PRO 11 HD1 PRO 11 -2.200 9.794 6.621
88 H ARG 12 HN ARG 12 -7.043 7.353 5.934
89 HA ARG 12 HA ARG 12 -7.439 7.079 3.098
90 HB2 ARG 12 HB2 ARG 12 -9.837 6.743 3.742
91 HB3 ARG 12 HB1 ARG 12 -8.710 5.603 4.458
92 HG2 ARG 12 HG2 ARG 12 -8.813 6.787 6.563
93 HG3 ARG 12 HG1 ARG 12 -9.852 8.021 5.845
94 HD2 ARG 12 HD2 ARG 12 -11.581 6.356 5.441
95 HD3 ARG 12 HD1 ARG 12 -10.539 5.092 6.089
96 HE ARG 12 HE ARG 12 -10.662 6.539 8.221
97 HH11 ARG 12 HH11 ARG 12 -13.254 6.175 5.899
98 HH12 ARG 12 HH12 ARG 12 -14.514 6.309 7.091
99 HH21 ARG 12 HH21 ARG 12 -12.308 6.731 9.799
100 HH22 ARG 12 HH22 ARG 12 -13.978 6.664 9.305
101 H SER 13 HN SER 13 -7.734 9.580 5.396
102 HA SER 13 HA SER 13 -9.567 11.199 3.906
103 HB2 SER 13 HB2 SER 13 -8.713 12.965 5.602
104 HB3 SER 13 HB1 SER 13 -9.643 11.594 6.206
105 HG SER 13 HG SER 13 -7.259 12.339 6.977
106 H ALA 14 HN ALA 14 -6.506 10.346 3.226
107 HA ALA 14 HA ALA 14 -5.516 12.925 2.362
108 HB1 ALA 14 HB1 ALA 14 -3.525 11.836 1.768
109 HB2 ALA 14 HB2 ALA 14 -4.311 10.266 1.655
110 HB3 ALA 14 HB3 ALA 14 -4.066 11.016 3.234
111 H SER 15 HN SER 15 -5.245 13.580 0.248
112 HA SER 15 HA SER 15 -7.278 12.760 -1.574
113 HB2 SER 15 HB2 SER 15 -6.526 15.089 -1.460
114 HB3 SER 15 HB1 SER 15 -4.909 14.605 -1.961
115 HG SER 15 HG SER 15 -5.553 14.673 -3.948
116 H ALA 16 HN ALA 16 -6.810 12.151 -3.851
117 HA ALA 16 HA ALA 16 -5.648 9.639 -3.919
118 HB1 ALA 16 HB1 ALA 16 -7.294 10.445 -5.556
119 HB2 ALA 16 HB2 ALA 16 -5.885 9.720 -6.334
120 HB3 ALA 16 HB3 ALA 16 -6.056 11.474 -6.274
121 H ASP 17 HN ASP 17 -4.250 12.730 -4.904
122 HA ASP 17 HA ASP 17 -1.866 11.744 -6.006
123 HB2 ASP 17 HB2 ASP 17 -1.006 14.092 -5.478
124 HB3 ASP 17 HB1 ASP 17 -2.406 13.968 -6.536
125 H ASP 18 HN ASP 18 -2.737 12.547 -2.696
126 HA ASP 18 HA ASP 18 -0.161 12.372 -1.561
127 HB2 ASP 18 HB2 ASP 18 -2.885 11.853 -0.351
128 HB3 ASP 18 HB1 ASP 18 -1.393 11.861 0.582
129 H ILE 19 HN ILE 19 -2.707 9.959 -2.029
130 HA ILE 19 HA ILE 19 -1.381 7.822 -0.774
131 HB ILE 19 HB ILE 19 -3.611 7.960 -2.767
132 HG12 ILE 19 HG12 ILE 19 -4.684 6.638 -0.821
133 HG13 ILE 19 HG11 ILE 19 -3.285 7.173 0.102
134 HG21 ILE 19 HG21 ILE 19 -2.308 5.990 -3.427
135 HG22 ILE 19 HG22 ILE 19 -3.872 5.549 -2.744
136 HG23 ILE 19 HG23 ILE 19 -2.407 5.379 -1.776
137 HD11 ILE 19 HD11 ILE 19 -5.533 8.750 -1.021
138 HD12 ILE 19 HD12 ILE 19 -3.958 9.508 -0.805
139 HD13 ILE 19 HD13 ILE 19 -4.797 8.808 0.583
140 H LYS 20 HN LYS 20 -1.446 8.826 -4.190
141 HA LYS 20 HA LYS 20 0.071 6.662 -5.164
142 HB2 LYS 20 HB2 LYS 20 -0.229 9.464 -6.255
143 HB3 LYS 20 HB1 LYS 20 0.518 8.130 -7.127
144 HG2 LYS 20 HG2 LYS 20 -1.618 6.881 -6.935
145 HG3 LYS 20 HG1 LYS 20 -2.340 8.321 -6.216
146 HD2 LYS 20 HD2 LYS 20 -1.825 9.592 -8.239
147 HD3 LYS 20 HD1 LYS 20 -1.097 8.152 -8.957
148 HE2 LYS 20 HE2 LYS 20 -3.272 6.996 -8.754
149 HE3 LYS 20 HE1 LYS 20 -3.979 8.490 -8.138
150 HZ1 LYS 20 HZ1 LYS 20 -3.343 9.561 -10.244
151 HZ2 LYS 20 HZ2 LYS 20 -4.444 8.290 -10.458
152 HZ3 LYS 20 HZ3 LYS 20 -2.806 8.061 -10.831
153 H LYS 21 HN LYS 21 1.036 9.832 -3.938
154 HA LYS 21 HA LYS 21 3.803 9.498 -4.466
155 HB2 LYS 21 HB2 LYS 21 2.212 11.557 -3.530
156 HB3 LYS 21 HB1 LYS 21 3.168 11.127 -2.120
157 HG2 LYS 21 HG2 LYS 21 4.282 12.884 -3.311
158 HG3 LYS 21 HG1 LYS 21 5.221 11.400 -3.479
159 HD2 LYS 21 HD2 LYS 21 3.206 11.911 -5.575
160 HD3 LYS 21 HD1 LYS 21 4.593 12.999 -5.554
161 HE2 LYS 21 HE2 LYS 21 4.791 10.004 -5.558
162 HE3 LYS 21 HE1 LYS 21 4.808 10.978 -7.023
163 HZ1 LYS 21 HZ1 LYS 21 7.047 10.391 -6.236
164 HZ2 LYS 21 HZ2 LYS 21 6.766 11.258 -4.804
165 HZ3 LYS 21 HZ3 LYS 21 6.795 12.066 -6.293
166 H ALA 22 HN ALA 22 1.742 8.860 -1.672
167 HA ALA 22 HA ALA 22 3.698 7.988 0.135
168 HB1 ALA 22 HB1 ALA 22 0.942 6.809 0.043
169 HB2 ALA 22 HB2 ALA 22 1.193 8.488 0.503
170 HB3 ALA 22 HB3 ALA 22 1.940 7.198 1.447
171 H TYR 23 HN TYR 23 1.785 6.219 -2.248
172 HA TYR 23 HA TYR 23 2.751 3.656 -1.653
173 HB2 TYR 23 HB2 TYR 23 1.033 3.279 -3.036
174 HB3 TYR 23 HB1 TYR 23 1.102 4.912 -3.676
175 HD1 TYR 23 HD2 TYR 23 2.636 1.530 -4.064
176 HD2 TYR 23 HD1 TYR 23 1.777 5.288 -5.871
177 HE1 TYR 23 HE2 TYR 23 3.392 0.656 -6.235
178 HE2 TYR 23 HE1 TYR 23 2.528 4.421 -8.042
179 HH TYR 23 HH TYR 23 2.958 1.177 -8.682
180 H ARG 24 HN ARG 24 3.878 6.055 -4.023
181 HA ARG 24 HA ARG 24 5.931 4.369 -5.014
182 HB2 ARG 24 HB2 ARG 24 5.223 7.240 -5.366
183 HB3 ARG 24 HB1 ARG 24 6.821 6.690 -5.870
184 HG2 ARG 24 HG2 ARG 24 5.902 5.139 -7.391
185 HG3 ARG 24 HG1 ARG 24 4.280 5.350 -6.732
186 HD2 ARG 24 HD2 ARG 24 4.292 7.671 -7.500
187 HD3 ARG 24 HD1 ARG 24 5.889 7.422 -8.206
188 HE ARG 24 HE ARG 24 4.359 5.442 -9.298
189 HH11 ARG 24 HH11 ARG 24 4.118 8.937 -9.211
190 HH12 ARG 24 HH12 ARG 24 3.289 9.038 -10.731
191 HH21 ARG 24 HH21 ARG 24 3.302 5.553 -11.267
192 HH22 ARG 24 HH22 ARG 24 2.830 7.094 -11.923
193 H ARG 25 HN ARG 25 5.942 6.924 -2.536
194 HA ARG 25 HA ARG 25 8.741 6.895 -2.182
195 HB2 ARG 25 HB2 ARG 25 8.384 7.965 -0.035
196 HB3 ARG 25 HB1 ARG 25 7.321 8.672 -1.240
197 HG2 ARG 25 HG2 ARG 25 5.452 7.394 -0.367
198 HG3 ARG 25 HG1 ARG 25 6.513 6.625 0.814
199 HD2 ARG 25 HD2 ARG 25 5.227 8.441 1.815
200 HD3 ARG 25 HD1 ARG 25 6.957 8.782 1.843
201 HE ARG 25 HE ARG 25 6.402 10.141 -0.280
202 HH11 ARG 25 HH11 ARG 25 4.201 9.709 2.423
203 HH12 ARG 25 HH12 ARG 25 3.496 11.295 2.262
204 HH21 ARG 25 HH21 ARG 25 5.451 12.202 -0.506
205 HH22 ARG 25 HH22 ARG 25 4.196 12.705 0.588
206 H LYS 26 HN LYS 26 6.188 4.899 -0.761
207 HA LYS 26 HA LYS 26 7.883 3.463 1.003
208 HB2 LYS 26 HB2 LYS 26 5.436 3.591 1.245
209 HB3 LYS 26 HB1 LYS 26 5.240 2.699 -0.255
210 HG2 LYS 26 HG2 LYS 26 6.179 0.729 0.724
211 HG3 LYS 26 HG1 LYS 26 6.587 1.606 2.205
212 HD2 LYS 26 HD2 LYS 26 4.182 2.085 2.530
213 HD3 LYS 26 HD1 LYS 26 3.827 1.108 1.110
214 HE2 LYS 26 HE2 LYS 26 5.230 0.085 3.577
215 HE3 LYS 26 HE1 LYS 26 3.497 -0.059 3.301
216 HZ1 LYS 26 HZ1 LYS 26 5.642 -1.257 1.633
217 HZ2 LYS 26 HZ2 LYS 26 3.990 -1.357 1.302
218 HZ3 LYS 26 HZ3 LYS 26 4.615 -2.093 2.694
219 H ALA 27 HN ALA 27 6.747 2.941 -2.288
220 HA ALA 27 HA ALA 27 7.906 0.424 -2.735
221 HB1 ALA 27 HB1 ALA 27 7.540 2.522 -4.854
222 HB2 ALA 27 HB2 ALA 27 6.185 1.646 -4.151
223 HB3 ALA 27 HB3 ALA 27 7.446 0.767 -5.017
224 H LEU 28 HN LEU 28 9.157 3.693 -3.276
225 HA LEU 28 HA LEU 28 11.550 2.812 -4.535
226 HB2 LEU 28 HB2 LEU 28 10.413 5.379 -3.666
227 HB3 LEU 28 HB1 LEU 28 12.166 5.320 -3.712
228 HG LEU 28 HG LEU 28 11.980 4.544 -6.102
229 HD11 LEU 28 HD11 LEU 28 9.151 5.518 -5.955
230 HD12 LEU 28 HD12 LEU 28 9.565 3.820 -5.755
231 HD13 LEU 28 HD13 LEU 28 9.953 4.650 -7.264
232 HD21 LEU 28 HD21 LEU 28 11.509 6.773 -6.978
233 HD22 LEU 28 HD22 LEU 28 12.505 6.858 -5.523
234 HD23 LEU 28 HD23 LEU 28 10.783 7.231 -5.438
235 H GLN 29 HN GLN 29 10.741 3.650 -1.194
236 HA GLN 29 HA GLN 29 13.430 3.736 -0.297
237 HB2 GLN 29 HB2 GLN 29 10.807 3.438 1.134
238 HB3 GLN 29 HB1 GLN 29 12.340 3.376 1.997
239 HG2 GLN 29 HG2 GLN 29 12.907 5.598 1.139
240 HG3 GLN 29 HG1 GLN 29 11.354 5.661 0.306
241 HE21 GLN 29 HE21 GLN 29 12.956 5.685 3.396
242 HE22 GLN 29 HE22 GLN 29 11.620 6.318 4.305
243 H TRP 30 HN TRP 30 11.157 1.116 -0.727
244 HA TRP 30 HA TRP 30 13.238 -0.711 0.257
245 HB2 TRP 30 HB2 TRP 30 10.258 -1.057 0.034
246 HB3 TRP 30 HB1 TRP 30 11.344 -2.440 0.176
247 HD1 TRP 30 HD1 TRP 30 12.864 -2.540 2.458
248 HE1 TRP 30 HE1 TRP 30 12.311 -1.743 4.843
249 HE3 TRP 30 HE3 TRP 30 9.022 0.638 1.369
250 HZ2 TRP 30 HZ2 TRP 30 10.486 0.002 6.093
251 HZ3 TRP 30 HZ3 TRP 30 7.924 1.838 3.216
252 HH2 TRP 30 HH2 TRP 30 8.642 1.525 5.530
253 H HIS 31 HN HIS 31 12.790 0.709 -2.399
254 HA HIS 31 HA HIS 31 12.637 -1.403 -4.332
255 HB2 HIS 31 HB2 HIS 31 12.174 1.045 -4.764
256 HB3 HIS 31 HB1 HIS 31 13.895 1.349 -4.581
257 HD1 HIS 31 HD1 HIS 31 11.415 -0.271 -6.900
258 HD2 HIS 31 HD2 HIS 31 15.425 0.815 -6.816
259 HE1 HIS 31 HE1 HIS 31 12.235 -0.525 -9.264
260 HE2 HIS 31 HE2 HIS 31 14.693 0.046 -9.177
261 HA PRO 32 HA PRO 32 16.493 -3.371 -3.710
262 HB2 PRO 32 HB2 PRO 32 17.300 -3.725 -6.353
263 HB3 PRO 32 HB1 PRO 32 16.223 -4.797 -5.450
264 HG2 PRO 32 HG2 PRO 32 15.545 -2.597 -7.361
265 HG3 PRO 32 HG1 PRO 32 14.799 -4.193 -7.181
266 HD2 PRO 32 HD2 PRO 32 13.596 -2.041 -6.205
267 HD3 PRO 32 HD1 PRO 32 13.610 -3.555 -5.272
268 H ASP 33 HN ASP 33 16.463 -0.666 -5.909
269 HA ASP 33 HA ASP 33 19.251 -0.201 -5.950
270 HB2 ASP 33 HB2 ASP 33 17.711 0.667 -7.655
271 HB3 ASP 33 HB1 ASP 33 16.947 1.692 -6.448
272 H LYS 34 HN LYS 34 16.787 0.484 -3.607
273 HA LYS 34 HA LYS 34 18.659 2.214 -2.138
274 HB2 LYS 34 HB2 LYS 34 15.673 2.417 -2.366
275 HB3 LYS 34 HB1 LYS 34 16.548 3.161 -1.048
276 HG2 LYS 34 HG2 LYS 34 16.309 4.902 -2.524
277 HG3 LYS 34 HG1 LYS 34 17.915 4.298 -2.935
278 HD2 LYS 34 HD2 LYS 34 17.063 3.121 -4.819
279 HD3 LYS 34 HD1 LYS 34 15.395 3.469 -4.357
280 HE2 LYS 34 HE2 LYS 34 15.966 4.966 -6.118
281 HE3 LYS 34 HE1 LYS 34 15.919 5.902 -4.628
282 HZ1 LYS 34 HZ1 LYS 34 18.321 5.824 -4.522
283 HZ2 LYS 34 HZ2 LYS 34 17.836 6.451 -6.021
284 HZ3 LYS 34 HZ3 LYS 34 18.381 4.848 -5.910
285 H ASN 35 HN ASN 35 17.975 -0.834 -1.968
286 HA ASN 35 HA ASN 35 16.921 -0.794 0.771
287 HB2 ASN 35 HB2 ASN 35 16.404 -3.180 0.536
288 HB3 ASN 35 HB1 ASN 35 15.605 -2.213 -0.688
289 HD21 ASN 35 HD21 ASN 35 18.997 -3.046 -1.035
290 HD22 ASN 35 HD22 ASN 35 18.757 -4.186 -2.311
291 HA PRO 36 HA PRO 36 20.805 -1.897 2.418
292 HB2 PRO 36 HB2 PRO 36 20.055 -2.623 4.896
293 HB3 PRO 36 HB1 PRO 36 19.938 -0.955 4.329
294 HG2 PRO 36 HG2 PRO 36 17.800 -3.006 4.640
295 HG3 PRO 36 HG1 PRO 36 17.733 -1.258 4.921
296 HD2 PRO 36 HD2 PRO 36 16.808 -2.572 2.650
297 HD3 PRO 36 HD1 PRO 36 17.163 -0.838 2.765
298 H ASP 37 HN ASP 37 19.646 -4.151 4.626
299 HA ASP 37 HA ASP 37 21.146 -6.226 3.231
300 HB2 ASP 37 HB2 ASP 37 21.813 -5.751 5.495
301 HB3 ASP 37 HB1 ASP 37 20.170 -5.967 6.071
302 H ASN 38 HN ASN 38 17.920 -5.365 3.726
303 HA ASN 38 HA ASN 38 17.036 -8.132 3.317
304 HB2 ASN 38 HB2 ASN 38 14.773 -7.365 3.993
305 HB3 ASN 38 HB1 ASN 38 15.976 -7.181 5.261
306 HD21 ASN 38 HD21 ASN 38 16.574 -5.150 5.929
307 HD22 ASN 38 HD22 ASN 38 15.689 -3.724 5.487
308 H LYS 39 HN LYS 39 16.702 -8.658 1.288
309 HA LYS 39 HA LYS 39 15.627 -6.610 -0.532
310 HB2 LYS 39 HB2 LYS 39 16.698 -9.324 -1.329
311 HB3 LYS 39 HB1 LYS 39 16.395 -7.946 -2.372
312 HG2 LYS 39 HG2 LYS 39 18.694 -7.969 -2.182
313 HG3 LYS 39 HG1 LYS 39 18.219 -6.769 -0.977
314 HD2 LYS 39 HD2 LYS 39 18.330 -8.543 0.755
315 HD3 LYS 39 HD1 LYS 39 18.930 -9.658 -0.472
316 HE2 LYS 39 HE2 LYS 39 20.875 -8.234 -0.826
317 HE3 LYS 39 HE1 LYS 39 20.268 -7.094 0.377
318 HZ1 LYS 39 HZ1 LYS 39 21.929 -8.546 1.340
319 HZ2 LYS 39 HZ2 LYS 39 21.040 -9.920 0.886
320 HZ3 LYS 39 HZ3 LYS 39 20.418 -8.851 2.044
321 H GLU 40 HN GLU 40 15.098 -9.719 0.911
322 HA GLU 40 HA GLU 40 12.793 -10.477 -0.525
323 HB2 GLU 40 HB2 GLU 40 14.388 -11.437 1.649
324 HB3 GLU 40 HB1 GLU 40 12.700 -11.509 2.109
325 HG2 GLU 40 HG2 GLU 40 13.848 -12.694 -0.405
326 HG3 GLU 40 HG1 GLU 40 13.542 -13.588 1.084
327 H PHE 41 HN PHE 41 13.276 -8.772 2.540
328 HA PHE 41 HA PHE 41 10.498 -8.380 3.006
329 HB2 PHE 41 HB2 PHE 41 12.950 -7.121 4.210
330 HB3 PHE 41 HB1 PHE 41 11.314 -6.670 4.682
331 HD1 PHE 41 HD1 PHE 41 13.745 -9.445 4.616
332 HD2 PHE 41 HD2 PHE 41 10.007 -8.043 6.091
333 HE1 PHE 41 HE1 PHE 41 13.648 -11.348 6.170
334 HE2 PHE 41 HE2 PHE 41 9.910 -9.941 7.656
335 HZ PHE 41 HZ PHE 41 11.730 -11.597 7.693
336 H ALA 42 HN ALA 42 13.024 -6.474 1.486
337 HA ALA 42 HA ALA 42 11.607 -4.073 1.198
338 HB1 ALA 42 HB1 ALA 42 13.820 -5.290 -0.438
339 HB2 ALA 42 HB2 ALA 42 13.946 -4.062 0.823
340 HB3 ALA 42 HB3 ALA 42 13.185 -3.671 -0.717
341 H GLU 43 HN GLU 43 11.884 -6.876 -0.999
342 HA GLU 43 HA GLU 43 10.102 -5.799 -2.918
343 HB2 GLU 43 HB2 GLU 43 10.027 -7.989 -3.912
344 HB3 GLU 43 HB1 GLU 43 11.679 -7.635 -3.431
345 HG2 GLU 43 HG2 GLU 43 11.768 -9.412 -2.118
346 HG3 GLU 43 HG1 GLU 43 10.235 -9.010 -1.346
347 H LYS 44 HN LYS 44 9.649 -7.759 -0.035
348 HA LYS 44 HA LYS 44 6.937 -8.388 -0.407
349 HB2 LYS 44 HB2 LYS 44 8.829 -8.890 1.540
350 HB3 LYS 44 HB1 LYS 44 7.669 -7.858 2.372
351 HG2 LYS 44 HG2 LYS 44 7.101 -10.190 2.681
352 HG3 LYS 44 HG1 LYS 44 5.860 -9.380 1.718
353 HD2 LYS 44 HD2 LYS 44 6.405 -11.572 0.783
354 HD3 LYS 44 HD1 LYS 44 6.863 -10.279 -0.327
355 HE2 LYS 44 HE2 LYS 44 9.185 -10.426 0.606
356 HE3 LYS 44 HE1 LYS 44 8.667 -11.861 1.492
357 HZ1 LYS 44 HZ1 LYS 44 8.602 -11.553 -1.462
358 HZ2 LYS 44 HZ2 LYS 44 8.173 -12.945 -0.592
359 HZ3 LYS 44 HZ3 LYS 44 9.782 -12.405 -0.591
360 H LYS 45 HN LYS 45 8.523 -5.584 1.049
361 HA LYS 45 HA LYS 45 6.177 -4.259 1.892
362 HB2 LYS 45 HB2 LYS 45 8.911 -3.206 1.156
363 HB3 LYS 45 HB1 LYS 45 7.623 -2.190 1.791
364 HG2 LYS 45 HG2 LYS 45 8.977 -4.489 3.188
365 HG3 LYS 45 HG1 LYS 45 9.082 -2.775 3.590
366 HD2 LYS 45 HD2 LYS 45 6.591 -2.837 3.960
367 HD3 LYS 45 HD1 LYS 45 6.704 -4.585 3.828
368 HE2 LYS 45 HE2 LYS 45 8.248 -4.629 5.707
369 HE3 LYS 45 HE1 LYS 45 8.151 -2.878 5.836
370 HZ1 LYS 45 HZ1 LYS 45 5.716 -3.166 6.218
371 HZ2 LYS 45 HZ2 LYS 45 6.694 -3.799 7.451
372 HZ3 LYS 45 HZ3 LYS 45 5.976 -4.840 6.319
373 H PHE 46 HN PHE 46 7.941 -4.386 -1.126
374 HA PHE 46 HA PHE 46 6.427 -2.437 -2.525
375 HB2 PHE 46 HB2 PHE 46 8.605 -3.242 -3.338
376 HB3 PHE 46 HB1 PHE 46 7.931 -4.846 -3.585
377 HD1 PHE 46 HD2 PHE 46 7.798 -1.345 -4.744
378 HD2 PHE 46 HD1 PHE 46 6.740 -5.389 -5.545
379 HE1 PHE 46 HE2 PHE 46 7.147 -0.718 -7.032
380 HE2 PHE 46 HE1 PHE 46 6.082 -4.768 -7.831
381 HZ PHE 46 HZ PHE 46 6.285 -2.430 -8.578
382 H LYS 47 HN LYS 47 6.096 -5.947 -2.142
383 HA LYS 47 HA LYS 47 3.874 -6.355 -3.781
384 HB2 LYS 47 HB2 LYS 47 5.136 -7.778 -1.541
385 HB3 LYS 47 HB1 LYS 47 3.418 -8.093 -1.709
386 HG2 LYS 47 HG2 LYS 47 4.485 -9.780 -2.926
387 HG3 LYS 47 HG1 LYS 47 3.901 -8.642 -4.137
388 HD2 LYS 47 HD2 LYS 47 6.109 -7.697 -4.368
389 HD3 LYS 47 HD1 LYS 47 6.714 -8.714 -3.058
390 HE2 LYS 47 HE2 LYS 47 6.090 -10.712 -4.418
391 HE3 LYS 47 HE1 LYS 47 5.697 -9.622 -5.748
392 HZ1 LYS 47 HZ1 LYS 47 7.931 -10.546 -5.946
393 HZ2 LYS 47 HZ2 LYS 47 8.359 -9.865 -4.453
394 HZ3 LYS 47 HZ3 LYS 47 7.981 -8.858 -5.767
395 H GLU 48 HN GLU 48 4.044 -5.388 -0.366
396 HA GLU 48 HA GLU 48 1.277 -5.468 0.170
397 HB2 GLU 48 HB2 GLU 48 3.208 -3.494 1.374
398 HB3 GLU 48 HB1 GLU 48 1.723 -4.101 2.079
399 HG2 GLU 48 HG2 GLU 48 2.696 -6.209 2.521
400 HG3 GLU 48 HG1 GLU 48 4.115 -5.829 1.538
401 H VAL 49 HN VAL 49 3.398 -2.875 -0.982
402 HA VAL 49 HA VAL 49 1.369 -0.902 -0.708
403 HB VAL 49 HB VAL 49 3.777 -0.353 -0.572
404 HG11 VAL 49 HG11 VAL 49 3.769 -0.631 -3.570
405 HG12 VAL 49 HG12 VAL 49 4.572 -1.730 -2.449
406 HG13 VAL 49 HG13 VAL 49 5.101 -0.051 -2.569
407 HG21 VAL 49 HG21 VAL 49 3.584 1.783 -1.607
408 HG22 VAL 49 HG22 VAL 49 1.995 1.311 -0.995
409 HG23 VAL 49 HG23 VAL 49 2.349 1.188 -2.716
410 H ALA 50 HN ALA 50 2.534 -2.857 -3.408
411 HA ALA 50 HA ALA 50 1.131 -1.486 -5.429
412 HB1 ALA 50 HB1 ALA 50 1.790 -4.425 -5.379
413 HB2 ALA 50 HB2 ALA 50 2.939 -3.157 -5.797
414 HB3 ALA 50 HB3 ALA 50 1.510 -3.415 -6.798
415 H GLU 51 HN GLU 51 0.217 -4.281 -3.414
416 HA GLU 51 HA GLU 51 -2.332 -4.570 -4.667
417 HB2 GLU 51 HB2 GLU 51 -2.830 -6.194 -2.929
418 HB3 GLU 51 HB1 GLU 51 -1.210 -6.463 -3.554
419 HG2 GLU 51 HG2 GLU 51 -0.243 -5.419 -1.613
420 HG3 GLU 51 HG1 GLU 51 -1.836 -4.985 -1.012
421 H ALA 52 HN ALA 52 -1.169 -2.992 -1.747
422 HA ALA 52 HA ALA 52 -3.760 -2.466 -0.695
423 HB1 ALA 52 HB1 ALA 52 -1.672 -2.715 0.638
424 HB2 ALA 52 HB2 ALA 52 -2.639 -1.291 1.039
425 HB3 ALA 52 HB3 ALA 52 -1.180 -1.120 0.061
426 H TYR 53 HN TYR 53 -1.369 -0.464 -2.432
427 HA TYR 53 HA TYR 53 -2.942 1.891 -2.278
428 HB2 TYR 53 HB2 TYR 53 -1.139 2.850 -3.200
429 HB3 TYR 53 HB1 TYR 53 -0.379 1.264 -3.192
430 HD1 TYR 53 HD2 TYR 53 -0.354 -0.100 -5.267
431 HD2 TYR 53 HD1 TYR 53 -1.852 3.880 -5.230
432 HE1 TYR 53 HE2 TYR 53 -0.181 -0.019 -7.717
433 HE2 TYR 53 HE1 TYR 53 -1.681 3.972 -7.680
434 HH TYR 53 HH TYR 53 -1.370 1.326 -9.606
435 H GLU 54 HN GLU 54 -2.772 -0.802 -4.523
436 HA GLU 54 HA GLU 54 -4.326 0.260 -6.599
437 HB2 GLU 54 HB2 GLU 54 -2.987 -1.901 -6.571
438 HB3 GLU 54 HB1 GLU 54 -4.339 -2.624 -5.712
439 HG2 GLU 54 HG2 GLU 54 -4.457 -3.152 -8.056
440 HG3 GLU 54 HG1 GLU 54 -5.804 -2.109 -7.600
441 H VAL 55 HN VAL 55 -5.323 -1.703 -3.795
442 HA VAL 55 HA VAL 55 -8.087 -1.530 -4.443
443 HB VAL 55 HB VAL 55 -7.230 -3.410 -3.149
444 HG11 VAL 55 HG11 VAL 55 -6.756 -1.424 -0.937
445 HG12 VAL 55 HG12 VAL 55 -5.519 -2.292 -1.845
446 HG13 VAL 55 HG13 VAL 55 -6.625 -3.176 -0.794
447 HG21 VAL 55 HG21 VAL 55 -9.230 -1.760 -1.622
448 HG22 VAL 55 HG22 VAL 55 -8.958 -3.489 -1.416
449 HG23 VAL 55 HG23 VAL 55 -9.580 -2.872 -2.946
450 H LEU 56 HN LEU 56 -5.958 0.320 -2.327
451 HA LEU 56 HA LEU 56 -8.069 1.623 -0.922
452 HB2 LEU 56 HB2 LEU 56 -5.827 1.208 0.027
453 HB3 LEU 56 HB1 LEU 56 -5.140 2.348 -1.103
454 HG LEU 56 HG LEU 56 -7.243 3.246 0.848
455 HD11 LEU 56 HD11 LEU 56 -4.298 2.873 1.358
456 HD12 LEU 56 HD12 LEU 56 -5.645 2.167 2.256
457 HD13 LEU 56 HD13 LEU 56 -5.343 3.901 2.337
458 HD21 LEU 56 HD21 LEU 56 -6.598 4.790 -0.931
459 HD22 LEU 56 HD22 LEU 56 -4.903 4.625 -0.471
460 HD23 LEU 56 HD23 LEU 56 -6.049 5.377 0.640
461 H SER 57 HN SER 57 -6.357 2.360 -3.878
462 HA SER 57 HA SER 57 -6.966 5.169 -3.784
463 HB2 SER 57 HB2 SER 57 -5.970 3.463 -6.077
464 HB3 SER 57 HB1 SER 57 -6.059 5.225 -6.082
465 HG SER 57 HG SER 57 -4.403 3.529 -4.545
466 H ASP 58 HN ASP 58 -8.713 2.389 -4.675
467 HA ASP 58 HA ASP 58 -10.601 4.068 -6.185
468 HB2 ASP 58 HB2 ASP 58 -9.817 2.234 -7.573
469 HB3 ASP 58 HB1 ASP 58 -10.223 1.069 -6.312
470 H LYS 59 HN LYS 59 -12.391 4.544 -5.199
471 HA LYS 59 HA LYS 59 -12.883 3.821 -2.539
472 HB2 LYS 59 HB2 LYS 59 -15.092 4.829 -4.294
473 HB3 LYS 59 HB1 LYS 59 -14.746 5.217 -2.618
474 HG2 LYS 59 HG2 LYS 59 -14.041 7.158 -3.508
475 HG3 LYS 59 HG1 LYS 59 -12.554 6.249 -3.793
476 HD2 LYS 59 HD2 LYS 59 -13.375 5.681 -6.056
477 HD3 LYS 59 HD1 LYS 59 -14.809 6.658 -5.758
478 HE2 LYS 59 HE2 LYS 59 -13.504 8.652 -5.603
479 HE3 LYS 59 HE1 LYS 59 -11.998 7.732 -5.644
480 HZ1 LYS 59 HZ1 LYS 59 -12.528 7.025 -7.888
481 HZ2 LYS 59 HZ2 LYS 59 -12.490 8.719 -7.797
482 HZ3 LYS 59 HZ3 LYS 59 -13.979 7.904 -7.860
483 H HIS 60 HN HIS 60 -14.051 2.544 -5.569
484 HA HIS 60 HA HIS 60 -16.238 1.052 -4.522
485 HB2 HIS 60 HB2 HIS 60 -14.698 0.420 -7.043
486 HB3 HIS 60 HB1 HIS 60 -16.376 0.037 -6.680
487 HD1 HIS 60 HD1 HIS 60 -14.171 2.744 -7.962
488 HD2 HIS 60 HD2 HIS 60 -18.177 2.185 -6.968
489 HE1 HIS 60 HE1 HIS 60 -15.397 4.725 -8.924
490 HE2 HIS 60 HE2 HIS 60 -17.812 4.403 -8.243
491 H LYS 61 HN LYS 61 -12.890 0.283 -5.343
492 HA LYS 61 HA LYS 61 -13.163 -2.507 -4.918
493 HB2 LYS 61 HB2 LYS 61 -11.444 -1.338 -6.355
494 HB3 LYS 61 HB1 LYS 61 -10.610 -0.916 -4.870
495 HG2 LYS 61 HG2 LYS 61 -10.283 -3.259 -4.350
496 HG3 LYS 61 HG1 LYS 61 -11.182 -3.721 -5.797
497 HD2 LYS 61 HD2 LYS 61 -8.594 -2.169 -5.729
498 HD3 LYS 61 HD1 LYS 61 -8.777 -3.865 -6.179
499 HE2 LYS 61 HE2 LYS 61 -9.999 -1.513 -7.617
500 HE3 LYS 61 HE1 LYS 61 -8.581 -2.418 -8.145
501 HZ1 LYS 61 HZ1 LYS 61 -9.956 -4.394 -8.346
502 HZ2 LYS 61 HZ2 LYS 61 -10.564 -3.134 -9.305
503 HZ3 LYS 61 HZ3 LYS 61 -11.322 -3.523 -7.838
504 H ARG 62 HN ARG 62 -11.911 0.149 -2.934
505 HA ARG 62 HA ARG 62 -10.991 -1.553 -0.873
506 HB2 ARG 62 HB2 ARG 62 -10.843 0.509 0.506
507 HB3 ARG 62 HB1 ARG 62 -10.021 0.615 -1.041
508 HG2 ARG 62 HG2 ARG 62 -11.906 1.890 -1.945
509 HG3 ARG 62 HG1 ARG 62 -12.699 1.817 -0.364
510 HD2 ARG 62 HD2 ARG 62 -10.582 2.887 0.559
511 HD3 ARG 62 HD1 ARG 62 -10.139 3.202 -1.117
512 HE ARG 62 HE ARG 62 -12.767 4.149 -0.373
513 HH11 ARG 62 HH11 ARG 62 -9.357 4.943 -0.699
514 HH12 ARG 62 HH12 ARG 62 -9.618 6.661 -0.585
515 HH21 ARG 62 HH21 ARG 62 -13.102 6.410 -0.259
516 HH22 ARG 62 HH22 ARG 62 -11.741 7.485 -0.349
517 H GLU 63 HN GLU 63 -14.098 0.125 -1.349
518 HA GLU 63 HA GLU 63 -15.070 -0.705 1.209
519 HB2 GLU 63 HB2 GLU 63 -17.234 0.076 0.534
520 HB3 GLU 63 HB1 GLU 63 -16.029 1.240 0.012
521 HG2 GLU 63 HG2 GLU 63 -16.221 0.562 -2.244
522 HG3 GLU 63 HG1 GLU 63 -17.173 -0.856 -1.807
523 H ILE 64 HN ILE 64 -15.217 -2.047 -2.060
524 HA ILE 64 HA ILE 64 -16.979 -4.163 -1.440
525 HB ILE 64 HB ILE 64 -15.210 -3.486 -3.684
526 HG12 ILE 64 HG12 ILE 64 -17.161 -4.271 -4.982
527 HG13 ILE 64 HG11 ILE 64 -17.904 -4.838 -3.493
528 HG21 ILE 64 HG21 ILE 64 -15.273 -5.741 -4.681
529 HG22 ILE 64 HG22 ILE 64 -15.830 -6.362 -3.130
530 HG23 ILE 64 HG23 ILE 64 -14.235 -5.628 -3.258
531 HD11 ILE 64 HD11 ILE 64 -18.868 -2.736 -4.198
532 HD12 ILE 64 HD12 ILE 64 -17.273 -1.979 -4.176
533 HD13 ILE 64 HD13 ILE 64 -18.003 -2.543 -2.672
534 H TYR 65 HN TYR 65 -13.459 -3.871 -1.263
535 HA TYR 65 HA TYR 65 -12.965 -6.516 -0.412
536 HB2 TYR 65 HB2 TYR 65 -11.144 -5.137 -1.190
537 HB3 TYR 65 HB1 TYR 65 -11.446 -3.945 0.069
538 HD1 TYR 65 HD2 TYR 65 -10.365 -7.471 -0.465
539 HD2 TYR 65 HD1 TYR 65 -10.360 -4.097 2.126
540 HE1 TYR 65 HE2 TYR 65 -8.749 -8.609 1.004
541 HE2 TYR 65 HE1 TYR 65 -8.748 -5.219 3.598
542 HH TYR 65 HH TYR 65 -8.057 -7.561 4.130
543 H ASP 66 HN ASP 66 -13.948 -3.621 1.269
544 HA ASP 66 HA ASP 66 -13.450 -4.578 3.902
545 HB2 ASP 66 HB2 ASP 66 -13.526 -2.200 3.375
546 HB3 ASP 66 HB1 ASP 66 -15.207 -2.340 2.886
547 H ARG 67 HN ARG 67 -16.453 -4.212 1.990
548 HA ARG 67 HA ARG 67 -17.938 -5.571 4.087
549 HB2 ARG 67 HB2 ARG 67 -19.920 -4.998 2.802
550 HB3 ARG 67 HB1 ARG 67 -18.892 -3.593 3.032
551 HG2 ARG 67 HG2 ARG 67 -17.965 -4.346 0.668
552 HG3 ARG 67 HG1 ARG 67 -19.572 -5.064 0.554
553 HD2 ARG 67 HD2 ARG 67 -18.948 -2.184 1.163
554 HD3 ARG 67 HD1 ARG 67 -19.534 -2.809 -0.377
555 HE ARG 67 HE ARG 67 -21.135 -3.017 2.100
556 HH11 ARG 67 HH11 ARG 67 -20.778 -2.096 -1.258
557 HH12 ARG 67 HH12 ARG 67 -22.457 -1.699 -1.470
558 HH21 ARG 67 HH21 ARG 67 -23.359 -2.468 1.838
559 HH22 ARG 67 HH22 ARG 67 -23.916 -1.913 0.284
560 H TYR 68 HN TYR 68 -16.931 -6.251 0.759
561 HA TYR 68 HA TYR 68 -18.594 -8.662 0.735
562 HB2 TYR 68 HB2 TYR 68 -18.651 -7.009 -1.158
563 HB3 TYR 68 HB1 TYR 68 -16.978 -7.421 -1.506
564 HD1 TYR 68 HD2 TYR 68 -20.431 -8.739 -1.452
565 HD2 TYR 68 HD1 TYR 68 -16.438 -9.357 -2.779
566 HE1 TYR 68 HE2 TYR 68 -21.209 -10.543 -2.928
567 HE2 TYR 68 HE1 TYR 68 -17.205 -11.161 -4.264
568 HH TYR 68 HH TYR 68 -20.390 -11.620 -5.098
569 H GLY 69 HN GLY 69 -15.428 -7.714 1.377
570 HA2 GLY 69 HA2 GLY 69 -13.915 -9.883 0.420
571 HA3 GLY 69 HA1 GLY 69 -13.521 -8.892 1.821
572 H ARG 70 HN ARG 70 -15.493 -9.352 3.490
573 HA ARG 70 HA ARG 70 -14.901 -11.797 4.708
574 HB2 ARG 70 HB2 ARG 70 -17.228 -9.912 5.091
575 HB3 ARG 70 HB1 ARG 70 -16.897 -11.280 6.145
576 HG2 ARG 70 HG2 ARG 70 -14.947 -9.046 5.646
577 HG3 ARG 70 HG1 ARG 70 -16.093 -9.081 6.991
578 HD2 ARG 70 HD2 ARG 70 -14.011 -11.196 6.440
579 HD3 ARG 70 HD1 ARG 70 -13.834 -9.890 7.613
580 HE ARG 70 HE ARG 70 -16.145 -11.064 8.379
581 HH11 ARG 70 HH11 ARG 70 -13.017 -12.405 7.604
582 HH12 ARG 70 HH12 ARG 70 -13.109 -13.669 8.787
583 HH21 ARG 70 HH21 ARG 70 -16.287 -12.713 9.964
584 HH22 ARG 70 HH22 ARG 70 -14.990 -13.869 10.117
585 H GLU 71 HN GLU 71 -17.252 -11.001 2.281
586 HA GLU 71 HA GLU 71 -19.035 -13.148 2.792
587 HB2 GLU 71 HB2 GLU 71 -19.843 -11.188 1.667
588 HB3 GLU 71 HB1 GLU 71 -18.619 -11.330 0.415
589 HG2 GLU 71 HG2 GLU 71 -20.786 -12.018 -0.406
590 HG3 GLU 71 HG1 GLU 71 -19.650 -13.364 -0.379
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -9.867 7.024 11.626
2 H2 MET 1 HT2 MET 1 -9.086 7.792 12.915
3 H3 MET 1 HT3 MET 1 -9.920 6.339 13.180
4 HA MET 1 HA MET 1 -7.409 6.760 11.673
5 HB2 MET 1 HB2 MET 1 -7.440 6.486 14.215
6 HB3 MET 1 HB1 MET 1 -8.021 4.852 13.941
7 HG2 MET 1 HG2 MET 1 -5.437 5.891 12.804
8 HG3 MET 1 HG1 MET 1 -5.556 5.105 14.375
9 HE1 MET 1 HE1 MET 1 -3.697 3.382 13.608
10 HE2 MET 1 HE2 MET 1 -3.602 4.138 12.017
11 HE3 MET 1 HE3 MET 1 -3.813 2.392 12.151
12 H ALA 2 HN ALA 2 -6.894 5.331 10.128
13 HA ALA 2 HA ALA 2 -8.585 2.952 9.797
14 HB1 ALA 2 HB1 ALA 2 -8.681 3.343 7.396
15 HB2 ALA 2 HB2 ALA 2 -7.748 4.830 7.587
16 HB3 ALA 2 HB3 ALA 2 -9.370 4.709 8.274
17 H SER 3 HN SER 3 -7.562 1.166 8.945
18 HA SER 3 HA SER 3 -4.833 0.891 9.538
19 HB2 SER 3 HB2 SER 3 -6.582 -0.929 7.871
20 HB3 SER 3 HB1 SER 3 -5.057 -1.371 8.639
21 HG SER 3 HG SER 3 -6.308 -1.923 10.245
22 H TYR 4 HN TYR 4 -6.256 2.253 6.794
23 HA TYR 4 HA TYR 4 -4.397 1.538 4.796
24 HB2 TYR 4 HB2 TYR 4 -5.808 4.202 5.134
25 HB3 TYR 4 HB1 TYR 4 -5.045 3.618 3.664
26 HD1 TYR 4 HD1 TYR 4 -6.034 0.999 3.184
27 HD2 TYR 4 HD2 TYR 4 -8.068 4.293 4.944
28 HE1 TYR 4 HE1 TYR 4 -8.185 0.066 2.434
29 HE2 TYR 4 HE2 TYR 4 -10.222 3.368 4.211
30 HH TYR 4 HH TYR 4 -10.598 0.220 3.092
31 H TYR 5 HN TYR 5 -4.273 3.705 7.494
32 HA TYR 5 HA TYR 5 -2.059 5.282 6.798
33 HB2 TYR 5 HB2 TYR 5 -3.461 5.886 8.657
34 HB3 TYR 5 HB1 TYR 5 -3.144 4.358 9.466
35 HD1 TYR 5 HD1 TYR 5 -1.712 7.636 8.571
36 HD2 TYR 5 HD2 TYR 5 -1.196 4.054 10.804
37 HE1 TYR 5 HE1 TYR 5 0.127 8.686 9.825
38 HE2 TYR 5 HE2 TYR 5 0.641 5.090 12.056
39 HH TYR 5 HH TYR 5 2.219 6.867 11.870
40 H GLU 6 HN GLU 6 -2.338 2.095 8.224
41 HA GLU 6 HA GLU 6 0.428 1.796 8.826
42 HB2 GLU 6 HB2 GLU 6 -1.861 -0.147 8.664
43 HB3 GLU 6 HB1 GLU 6 -0.226 -0.633 9.096
44 HG2 GLU 6 HG2 GLU 6 -1.818 1.453 10.551
45 HG3 GLU 6 HG1 GLU 6 -1.709 -0.239 11.038
46 H ILE 7 HN ILE 7 -1.642 0.818 6.117
47 HA ILE 7 HA ILE 7 0.268 -0.985 5.036
48 HB ILE 7 HB ILE 7 -1.219 -0.977 3.018
49 HG12 ILE 7 HG12 ILE 7 -3.121 0.596 4.703
50 HG13 ILE 7 HG11 ILE 7 -1.989 1.425 3.648
51 HG21 ILE 7 HG21 ILE 7 -2.855 -2.310 4.037
52 HG22 ILE 7 HG22 ILE 7 -2.811 -1.368 5.527
53 HG23 ILE 7 HG23 ILE 7 -1.462 -2.438 5.119
54 HD11 ILE 7 HD11 ILE 7 -2.926 0.133 1.749
55 HD12 ILE 7 HD12 ILE 7 -4.075 1.197 2.546
56 HD13 ILE 7 HD13 ILE 7 -4.126 -0.534 2.857
57 H LEU 8 HN LEU 8 -0.669 2.340 4.254
58 HA LEU 8 HA LEU 8 1.570 2.457 2.353
59 HB2 LEU 8 HB2 LEU 8 -0.467 4.630 2.755
60 HB3 LEU 8 HB1 LEU 8 0.575 4.353 1.375
61 HG LEU 8 HG LEU 8 -1.751 2.636 2.191
62 HD11 LEU 8 HD11 LEU 8 -2.428 4.814 1.332
63 HD12 LEU 8 HD12 LEU 8 -2.834 3.526 0.200
64 HD13 LEU 8 HD13 LEU 8 -1.439 4.560 -0.106
65 HD21 LEU 8 HD21 LEU 8 -0.010 1.324 1.099
66 HD22 LEU 8 HD22 LEU 8 0.058 2.486 -0.225
67 HD23 LEU 8 HD23 LEU 8 -1.395 1.516 0.024
68 H ASP 9 HN ASP 9 0.025 4.781 4.487
69 HA ASP 9 HA ASP 9 2.026 5.411 6.254
70 HB2 ASP 9 HB2 ASP 9 3.534 5.945 4.435
71 HB3 ASP 9 HB1 ASP 9 2.317 6.957 3.665
72 H VAL 10 HN VAL 10 -0.451 6.532 4.110
73 HA VAL 10 HA VAL 10 -1.408 8.384 6.190
74 HB VAL 10 HB VAL 10 -2.481 9.694 4.359
75 HG11 VAL 10 HG11 VAL 10 -0.357 10.406 5.309
76 HG12 VAL 10 HG12 VAL 10 -0.432 10.789 3.588
77 HG13 VAL 10 HG13 VAL 10 0.512 9.406 4.145
78 HG21 VAL 10 HG21 VAL 10 -2.592 7.957 2.652
79 HG22 VAL 10 HG22 VAL 10 -0.831 7.920 2.557
80 HG23 VAL 10 HG23 VAL 10 -1.712 9.361 2.050
81 HA PRO 11 HA PRO 11 -5.037 5.909 6.089
82 HB2 PRO 11 HB2 PRO 11 -6.651 7.786 7.427
83 HB3 PRO 11 HB1 PRO 11 -5.604 6.578 8.170
84 HG2 PRO 11 HG2 PRO 11 -5.273 9.373 8.258
85 HG3 PRO 11 HG1 PRO 11 -4.102 8.151 8.776
86 HD2 PRO 11 HD2 PRO 11 -4.224 9.709 6.248
87 HD3 PRO 11 HD1 PRO 11 -2.814 9.068 7.116
88 H ARG 12 HN ARG 12 -7.602 6.412 5.993
89 HA ARG 12 HA ARG 12 -8.113 6.953 3.259
90 HB2 ARG 12 HB2 ARG 12 -10.503 6.707 3.938
91 HB3 ARG 12 HB1 ARG 12 -9.479 5.347 4.374
92 HG2 ARG 12 HG2 ARG 12 -9.346 6.233 6.669
93 HG3 ARG 12 HG1 ARG 12 -10.433 7.544 6.202
94 HD2 ARG 12 HD2 ARG 12 -11.064 4.597 6.127
95 HD3 ARG 12 HD1 ARG 12 -11.642 5.750 7.329
96 HE ARG 12 HE ARG 12 -12.443 6.783 4.920
97 HH11 ARG 12 HH11 ARG 12 -12.916 3.767 6.632
98 HH12 ARG 12 HH12 ARG 12 -14.474 3.460 5.919
99 HH21 ARG 12 HH21 ARG 12 -14.483 6.389 3.972
100 HH22 ARG 12 HH22 ARG 12 -15.390 4.969 4.435
101 H SER 13 HN SER 13 -8.087 8.907 6.054
102 HA SER 13 HA SER 13 -9.868 10.941 5.240
103 HB2 SER 13 HB2 SER 13 -8.394 12.268 6.972
104 HB3 SER 13 HB1 SER 13 -9.449 10.965 7.518
105 HG SER 13 HG SER 13 -6.677 11.100 7.415
106 H ALA 14 HN ALA 14 -6.736 10.093 4.238
107 HA ALA 14 HA ALA 14 -6.010 12.696 3.234
108 HB1 ALA 14 HB1 ALA 14 -4.248 11.257 3.977
109 HB2 ALA 14 HB2 ALA 14 -4.130 11.398 2.230
110 HB3 ALA 14 HB3 ALA 14 -4.811 9.945 2.943
111 H SER 15 HN SER 15 -6.077 13.315 1.088
112 HA SER 15 HA SER 15 -8.058 12.083 -0.558
113 HB2 SER 15 HB2 SER 15 -7.167 13.827 -2.242
114 HB3 SER 15 HB1 SER 15 -7.920 14.426 -0.762
115 HG SER 15 HG SER 15 -5.241 14.471 -1.565
116 H ALA 16 HN ALA 16 -7.732 11.190 -2.654
117 HA ALA 16 HA ALA 16 -6.113 8.958 -2.466
118 HB1 ALA 16 HB1 ALA 16 -8.152 9.103 -3.818
119 HB2 ALA 16 HB2 ALA 16 -6.794 8.423 -4.714
120 HB3 ALA 16 HB3 ALA 16 -7.286 10.093 -4.994
121 H ASP 17 HN ASP 17 -5.376 12.018 -3.989
122 HA ASP 17 HA ASP 17 -3.169 11.143 -5.519
123 HB2 ASP 17 HB2 ASP 17 -3.993 13.831 -4.455
124 HB3 ASP 17 HB1 ASP 17 -2.482 13.618 -5.334
125 H ASP 18 HN ASP 18 -3.475 12.222 -2.191
126 HA ASP 18 HA ASP 18 -0.695 12.322 -1.612
127 HB2 ASP 18 HB2 ASP 18 -2.549 13.327 -0.215
128 HB3 ASP 18 HB1 ASP 18 -2.946 11.694 0.307
129 H ILE 19 HN ILE 19 -3.162 9.836 -1.466
130 HA ILE 19 HA ILE 19 -1.676 7.760 -0.334
131 HB ILE 19 HB ILE 19 -4.067 7.857 -2.118
132 HG12 ILE 19 HG12 ILE 19 -4.926 6.466 -0.108
133 HG13 ILE 19 HG11 ILE 19 -3.461 7.027 0.692
134 HG21 ILE 19 HG21 ILE 19 -2.823 5.939 -2.967
135 HG22 ILE 19 HG22 ILE 19 -4.279 5.438 -2.111
136 HG23 ILE 19 HG23 ILE 19 -2.705 5.288 -1.331
137 HD11 ILE 19 HD11 ILE 19 -5.842 8.560 -0.198
138 HD12 ILE 19 HD12 ILE 19 -4.275 9.358 -0.116
139 HD13 ILE 19 HD13 ILE 19 -4.964 8.621 1.334
140 H LYS 20 HN LYS 20 -2.065 8.675 -3.768
141 HA LYS 20 HA LYS 20 -0.458 6.554 -4.736
142 HB2 LYS 20 HB2 LYS 20 -0.674 7.471 -6.857
143 HB3 LYS 20 HB1 LYS 20 -2.119 8.045 -6.047
144 HG2 LYS 20 HG2 LYS 20 -1.078 10.224 -5.714
145 HG3 LYS 20 HG1 LYS 20 0.392 9.644 -6.502
146 HD2 LYS 20 HD2 LYS 20 -1.034 9.124 -8.519
147 HD3 LYS 20 HD1 LYS 20 -2.339 10.001 -7.721
148 HE2 LYS 20 HE2 LYS 20 0.366 11.148 -8.398
149 HE3 LYS 20 HE1 LYS 20 -1.098 11.379 -9.350
150 HZ1 LYS 20 HZ1 LYS 20 -0.655 13.259 -7.902
151 HZ2 LYS 20 HZ2 LYS 20 -0.720 12.259 -6.538
152 HZ3 LYS 20 HZ3 LYS 20 -2.112 12.505 -7.477
153 H LYS 21 HN LYS 21 0.275 9.801 -3.640
154 HA LYS 21 HA LYS 21 2.976 9.848 -4.459
155 HB2 LYS 21 HB2 LYS 21 1.627 11.840 -3.711
156 HB3 LYS 21 HB1 LYS 21 1.785 11.250 -2.060
157 HG2 LYS 21 HG2 LYS 21 3.434 12.943 -2.449
158 HG3 LYS 21 HG1 LYS 21 4.244 11.382 -2.295
159 HD2 LYS 21 HD2 LYS 21 3.861 11.406 -4.938
160 HD3 LYS 21 HD1 LYS 21 3.943 13.145 -4.656
161 HE2 LYS 21 HE2 LYS 21 5.998 11.077 -3.917
162 HE3 LYS 21 HE1 LYS 21 6.134 12.287 -5.192
163 HZ1 LYS 21 HZ1 LYS 21 7.355 13.106 -3.376
164 HZ2 LYS 21 HZ2 LYS 21 6.143 12.729 -2.258
165 HZ3 LYS 21 HZ3 LYS 21 5.909 13.993 -3.364
166 H ALA 22 HN ALA 22 1.374 8.806 -1.476
167 HA ALA 22 HA ALA 22 3.670 8.121 -0.014
168 HB1 ALA 22 HB1 ALA 22 2.183 6.727 1.342
169 HB2 ALA 22 HB2 ALA 22 0.921 6.882 0.118
170 HB3 ALA 22 HB3 ALA 22 1.460 8.302 1.013
171 H TYR 23 HN TYR 23 1.704 6.273 -2.292
172 HA TYR 23 HA TYR 23 2.995 3.812 -2.113
173 HB2 TYR 23 HB2 TYR 23 1.181 3.534 -3.429
174 HB3 TYR 23 HB1 TYR 23 1.244 5.185 -4.032
175 HD1 TYR 23 HD2 TYR 23 2.612 1.768 -4.526
176 HD2 TYR 23 HD1 TYR 23 2.146 5.669 -6.162
177 HE1 TYR 23 HE2 TYR 23 3.403 0.945 -6.707
178 HE2 TYR 23 HE1 TYR 23 2.931 4.856 -8.343
179 HH TYR 23 HH TYR 23 3.176 1.584 -9.109
180 H ARG 24 HN ARG 24 3.800 6.661 -4.052
181 HA ARG 24 HA ARG 24 5.987 5.526 -5.438
182 HB2 ARG 24 HB2 ARG 24 5.374 8.403 -4.712
183 HB3 ARG 24 HB1 ARG 24 6.686 7.914 -5.778
184 HG2 ARG 24 HG2 ARG 24 5.175 7.106 -7.407
185 HG3 ARG 24 HG1 ARG 24 3.808 7.233 -6.295
186 HD2 ARG 24 HD2 ARG 24 3.821 9.086 -7.881
187 HD3 ARG 24 HD1 ARG 24 4.077 9.643 -6.225
188 HE ARG 24 HE ARG 24 6.572 9.210 -7.462
189 HH11 ARG 24 HH11 ARG 24 3.826 11.382 -7.668
190 HH12 ARG 24 HH12 ARG 24 4.788 12.762 -8.121
191 HH21 ARG 24 HH21 ARG 24 7.837 11.026 -8.042
192 HH22 ARG 24 HH22 ARG 24 7.062 12.554 -8.332
193 H ARG 25 HN ARG 25 5.720 7.170 -2.339
194 HA ARG 25 HA ARG 25 8.498 7.422 -1.864
195 HB2 ARG 25 HB2 ARG 25 7.111 8.820 -0.601
196 HB3 ARG 25 HB1 ARG 25 6.047 7.500 -0.135
197 HG2 ARG 25 HG2 ARG 25 7.746 6.604 1.324
198 HG3 ARG 25 HG1 ARG 25 8.877 7.870 0.826
199 HD2 ARG 25 HD2 ARG 25 7.409 9.572 1.745
200 HD3 ARG 25 HD1 ARG 25 6.222 8.343 2.178
201 HE ARG 25 HE ARG 25 8.913 8.198 3.347
202 HH11 ARG 25 HH11 ARG 25 5.493 8.840 3.702
203 HH12 ARG 25 HH12 ARG 25 5.507 8.686 5.433
204 HH21 ARG 25 HH21 ARG 25 8.951 8.017 5.641
205 HH22 ARG 25 HH22 ARG 25 7.474 8.222 6.537
206 H LYS 26 HN LYS 26 6.131 4.974 -0.838
207 HA LYS 26 HA LYS 26 7.922 3.337 0.597
208 HB2 LYS 26 HB2 LYS 26 5.564 2.330 -0.998
209 HB3 LYS 26 HB1 LYS 26 6.288 1.590 0.423
210 HG2 LYS 26 HG2 LYS 26 5.538 3.508 1.768
211 HG3 LYS 26 HG1 LYS 26 4.761 4.169 0.325
212 HD2 LYS 26 HD2 LYS 26 3.102 3.022 1.631
213 HD3 LYS 26 HD1 LYS 26 3.412 2.092 0.166
214 HE2 LYS 26 HE2 LYS 26 3.277 0.565 1.992
215 HE3 LYS 26 HE1 LYS 26 4.963 0.657 1.489
216 HZ1 LYS 26 HZ1 LYS 26 4.571 0.711 3.943
217 HZ2 LYS 26 HZ2 LYS 26 3.850 2.235 3.745
218 HZ3 LYS 26 HZ3 LYS 26 5.479 2.011 3.347
219 H ALA 27 HN ALA 27 6.993 3.463 -2.777
220 HA ALA 27 HA ALA 27 8.307 1.225 -3.765
221 HB1 ALA 27 HB1 ALA 27 8.184 3.853 -5.224
222 HB2 ALA 27 HB2 ALA 27 6.786 2.801 -5.026
223 HB3 ALA 27 HB3 ALA 27 8.203 2.228 -5.908
224 H LEU 28 HN LEU 28 9.574 4.507 -3.281
225 HA LEU 28 HA LEU 28 12.205 3.893 -4.175
226 HB2 LEU 28 HB2 LEU 28 10.894 6.178 -2.799
227 HB3 LEU 28 HB1 LEU 28 12.637 6.057 -2.671
228 HG LEU 28 HG LEU 28 12.886 6.210 -5.064
229 HD11 LEU 28 HD11 LEU 28 10.898 6.610 -6.508
230 HD12 LEU 28 HD12 LEU 28 9.880 6.149 -5.143
231 HD13 LEU 28 HD13 LEU 28 10.994 4.979 -5.845
232 HD21 LEU 28 HD21 LEU 28 12.705 8.299 -3.834
233 HD22 LEU 28 HD22 LEU 28 10.954 8.279 -4.034
234 HD23 LEU 28 HD23 LEU 28 11.999 8.456 -5.442
235 H GLN 29 HN GLN 29 10.594 3.863 -1.071
236 HA GLN 29 HA GLN 29 12.833 3.763 0.610
237 HB2 GLN 29 HB2 GLN 29 10.560 4.273 1.383
238 HB3 GLN 29 HB1 GLN 29 10.061 2.626 1.025
239 HG2 GLN 29 HG2 GLN 29 11.721 1.833 2.708
240 HG3 GLN 29 HG1 GLN 29 12.012 3.519 3.133
241 HE21 GLN 29 HE21 GLN 29 11.294 3.250 5.232
242 HE22 GLN 29 HE22 GLN 29 9.620 3.016 5.616
243 H TRP 30 HN TRP 30 11.018 1.183 -0.998
244 HA TRP 30 HA TRP 30 12.888 -0.749 0.183
245 HB2 TRP 30 HB2 TRP 30 10.103 -1.184 -0.900
246 HB3 TRP 30 HB1 TRP 30 11.176 -2.475 -0.355
247 HD1 TRP 30 HD1 TRP 30 8.806 0.167 0.933
248 HE1 TRP 30 HE1 TRP 30 8.633 -0.015 3.495
249 HE3 TRP 30 HE3 TRP 30 12.622 -3.136 1.774
250 HZ2 TRP 30 HZ2 TRP 30 9.936 -1.384 5.593
251 HZ3 TRP 30 HZ3 TRP 30 13.092 -3.830 4.087
252 HH2 TRP 30 HH2 TRP 30 11.777 -2.969 5.957
253 H HIS 31 HN HIS 31 13.007 0.967 -2.399
254 HA HIS 31 HA HIS 31 13.440 -1.059 -4.399
255 HB2 HIS 31 HB2 HIS 31 13.742 1.879 -4.239
256 HB3 HIS 31 HB1 HIS 31 14.879 1.062 -5.308
257 HD1 HIS 31 HD1 HIS 31 12.086 -1.014 -5.610
258 HD2 HIS 31 HD2 HIS 31 12.922 2.841 -6.938
259 HE1 HIS 31 HE1 HIS 31 10.515 -0.599 -7.524
260 HE2 HIS 31 HE2 HIS 31 11.224 1.628 -8.470
261 HA PRO 32 HA PRO 32 17.130 -2.834 -3.161
262 HB2 PRO 32 HB2 PRO 32 18.564 -2.895 -5.531
263 HB3 PRO 32 HB1 PRO 32 17.315 -4.054 -5.062
264 HG2 PRO 32 HG2 PRO 32 17.102 -1.641 -6.816
265 HG3 PRO 32 HG1 PRO 32 16.383 -3.247 -7.027
266 HD2 PRO 32 HD2 PRO 32 14.911 -1.217 -6.151
267 HD3 PRO 32 HD1 PRO 32 14.711 -2.839 -5.451
268 H ASP 33 HN ASP 33 17.515 0.135 -4.986
269 HA ASP 33 HA ASP 33 20.235 0.604 -4.393
270 HB2 ASP 33 HB2 ASP 33 18.960 1.802 -6.161
271 HB3 ASP 33 HB1 ASP 33 18.066 2.651 -4.903
272 H LYS 34 HN LYS 34 17.304 1.110 -2.579
273 HA LYS 34 HA LYS 34 18.830 2.438 -0.444
274 HB2 LYS 34 HB2 LYS 34 15.885 2.425 -1.078
275 HB3 LYS 34 HB1 LYS 34 16.504 2.968 0.470
276 HG2 LYS 34 HG2 LYS 34 16.192 4.921 -0.752
277 HG3 LYS 34 HG1 LYS 34 17.924 4.613 -0.869
278 HD2 LYS 34 HD2 LYS 34 17.551 3.580 -3.087
279 HD3 LYS 34 HD1 LYS 34 15.838 3.993 -2.961
280 HE2 LYS 34 HE2 LYS 34 16.946 5.663 -4.294
281 HE3 LYS 34 HE1 LYS 34 16.479 6.378 -2.752
282 HZ1 LYS 34 HZ1 LYS 34 18.778 5.982 -1.973
283 HZ2 LYS 34 HZ2 LYS 34 18.695 7.051 -3.281
284 HZ3 LYS 34 HZ3 LYS 34 19.191 5.450 -3.531
285 H ASN 35 HN ASN 35 18.432 -0.509 -1.225
286 HA ASN 35 HA ASN 35 17.359 -1.455 1.350
287 HB2 ASN 35 HB2 ASN 35 15.979 -2.128 -0.555
288 HB3 ASN 35 HB1 ASN 35 17.384 -2.843 -1.340
289 HD21 ASN 35 HD21 ASN 35 15.149 -3.108 1.330
290 HD22 ASN 35 HD22 ASN 35 15.454 -4.782 1.664
291 HA PRO 36 HA PRO 36 21.445 -3.075 1.869
292 HB2 PRO 36 HB2 PRO 36 21.120 -3.986 4.394
293 HB3 PRO 36 HB1 PRO 36 21.275 -2.275 3.994
294 HG2 PRO 36 HG2 PRO 36 18.912 -3.782 4.863
295 HG3 PRO 36 HG1 PRO 36 19.217 -2.039 4.921
296 HD2 PRO 36 HD2 PRO 36 17.658 -3.512 3.008
297 HD3 PRO 36 HD1 PRO 36 17.942 -1.763 3.077
298 H ASP 37 HN ASP 37 20.277 -5.403 4.100
299 HA ASP 37 HA ASP 37 21.227 -7.435 2.211
300 HB2 ASP 37 HB2 ASP 37 21.164 -7.302 5.199
301 HB3 ASP 37 HB1 ASP 37 21.383 -8.838 4.368
302 H ASN 38 HN ASN 38 18.296 -6.406 3.544
303 HA ASN 38 HA ASN 38 17.138 -9.081 3.135
304 HB2 ASN 38 HB2 ASN 38 16.129 -6.679 4.648
305 HB3 ASN 38 HB1 ASN 38 15.080 -8.025 4.226
306 HD21 ASN 38 HD21 ASN 38 17.183 -10.032 4.594
307 HD22 ASN 38 HD22 ASN 38 17.397 -10.173 6.305
308 H LYS 39 HN LYS 39 16.725 -9.269 1.008
309 HA LYS 39 HA LYS 39 15.495 -7.038 -0.415
310 HB2 LYS 39 HB2 LYS 39 16.758 -9.615 -1.266
311 HB3 LYS 39 HB1 LYS 39 15.621 -8.826 -2.346
312 HG2 LYS 39 HG2 LYS 39 17.803 -8.158 -2.984
313 HG3 LYS 39 HG1 LYS 39 17.034 -6.774 -2.209
314 HD2 LYS 39 HD2 LYS 39 18.233 -7.275 -0.134
315 HD3 LYS 39 HD1 LYS 39 19.003 -8.659 -0.916
316 HE2 LYS 39 HE2 LYS 39 19.271 -5.776 -1.757
317 HE3 LYS 39 HE1 LYS 39 20.479 -6.703 -0.868
318 HZ1 LYS 39 HZ1 LYS 39 19.508 -7.273 -3.619
319 HZ2 LYS 39 HZ2 LYS 39 20.624 -8.220 -2.765
320 HZ3 LYS 39 HZ3 LYS 39 21.021 -6.629 -3.206
321 H GLU 40 HN GLU 40 14.772 -10.148 0.895
322 HA GLU 40 HA GLU 40 12.374 -10.770 -0.361
323 HB2 GLU 40 HB2 GLU 40 13.573 -12.238 1.223
324 HB3 GLU 40 HB1 GLU 40 13.096 -11.183 2.541
325 HG2 GLU 40 HG2 GLU 40 10.721 -11.683 1.995
326 HG3 GLU 40 HG1 GLU 40 11.295 -12.865 0.819
327 H PHE 41 HN PHE 41 12.983 -8.739 2.455
328 HA PHE 41 HA PHE 41 10.273 -8.125 2.960
329 HB2 PHE 41 HB2 PHE 41 12.820 -6.715 3.756
330 HB3 PHE 41 HB1 PHE 41 11.221 -6.215 4.298
331 HD1 PHE 41 HD1 PHE 41 13.704 -8.945 4.441
332 HD2 PHE 41 HD2 PHE 41 10.090 -7.353 6.030
333 HE1 PHE 41 HE1 PHE 41 13.808 -10.563 6.292
334 HE2 PHE 41 HE2 PHE 41 10.189 -8.970 7.883
335 HZ PHE 41 HZ PHE 41 12.049 -10.577 8.016
336 H ALA 42 HN ALA 42 12.748 -6.611 0.976
337 HA ALA 42 HA ALA 42 11.305 -4.249 0.397
338 HB1 ALA 42 HB1 ALA 42 13.519 -5.633 -1.104
339 HB2 ALA 42 HB2 ALA 42 13.670 -4.305 0.051
340 HB3 ALA 42 HB3 ALA 42 12.888 -4.036 -1.506
341 H GLU 43 HN GLU 43 11.618 -7.347 -1.336
342 HA GLU 43 HA GLU 43 9.927 -6.550 -3.477
343 HB2 GLU 43 HB2 GLU 43 9.845 -8.951 -4.069
344 HB3 GLU 43 HB1 GLU 43 11.482 -8.356 -3.841
345 HG2 GLU 43 HG2 GLU 43 11.560 -9.376 -1.637
346 HG3 GLU 43 HG1 GLU 43 9.901 -9.939 -1.831
347 H LYS 44 HN LYS 44 9.347 -8.242 -0.419
348 HA LYS 44 HA LYS 44 6.626 -8.804 -0.917
349 HB2 LYS 44 HB2 LYS 44 8.158 -8.462 1.652
350 HB3 LYS 44 HB1 LYS 44 6.441 -8.837 1.624
351 HG2 LYS 44 HG2 LYS 44 6.946 -10.873 0.323
352 HG3 LYS 44 HG1 LYS 44 8.665 -10.511 0.480
353 HD2 LYS 44 HD2 LYS 44 8.292 -12.020 2.204
354 HD3 LYS 44 HD1 LYS 44 8.186 -10.459 3.015
355 HE2 LYS 44 HE2 LYS 44 5.824 -12.056 2.031
356 HE3 LYS 44 HE1 LYS 44 6.408 -12.055 3.691
357 HZ1 LYS 44 HZ1 LYS 44 5.293 -9.738 2.206
358 HZ2 LYS 44 HZ2 LYS 44 5.965 -9.642 3.755
359 HZ3 LYS 44 HZ3 LYS 44 4.566 -10.562 3.491
360 H LYS 45 HN LYS 45 8.216 -6.008 0.621
361 HA LYS 45 HA LYS 45 5.795 -4.735 1.359
362 HB2 LYS 45 HB2 LYS 45 8.593 -3.693 0.981
363 HB3 LYS 45 HB1 LYS 45 7.257 -2.641 1.432
364 HG2 LYS 45 HG2 LYS 45 8.342 -4.979 2.986
365 HG3 LYS 45 HG1 LYS 45 8.421 -3.270 3.417
366 HD2 LYS 45 HD2 LYS 45 5.896 -3.292 3.418
367 HD3 LYS 45 HD1 LYS 45 6.005 -5.045 3.306
368 HE2 LYS 45 HE2 LYS 45 7.311 -5.073 5.381
369 HE3 LYS 45 HE1 LYS 45 7.137 -3.325 5.502
370 HZ1 LYS 45 HZ1 LYS 45 4.634 -3.844 5.383
371 HZ2 LYS 45 HZ2 LYS 45 5.450 -4.107 6.843
372 HZ3 LYS 45 HZ3 LYS 45 5.085 -5.419 5.829
373 H PHE 46 HN PHE 46 7.782 -4.658 -1.518
374 HA PHE 46 HA PHE 46 6.411 -2.613 -2.885
375 HB2 PHE 46 HB2 PHE 46 8.591 -3.604 -3.598
376 HB3 PHE 46 HB1 PHE 46 7.730 -5.063 -4.083
377 HD1 PHE 46 HD1 PHE 46 8.179 -1.474 -4.797
378 HD2 PHE 46 HD2 PHE 46 6.582 -5.180 -6.147
379 HE1 PHE 46 HE1 PHE 46 7.787 -0.490 -7.018
380 HE2 PHE 46 HE2 PHE 46 6.187 -4.203 -8.370
381 HZ PHE 46 HZ PHE 46 6.790 -1.857 -8.807
382 H LYS 47 HN LYS 47 5.857 -6.099 -2.650
383 HA LYS 47 HA LYS 47 3.563 -6.095 -4.325
384 HB2 LYS 47 HB2 LYS 47 3.672 -8.321 -4.116
385 HB3 LYS 47 HB1 LYS 47 5.183 -8.030 -3.278
386 HG2 LYS 47 HG2 LYS 47 4.163 -9.470 -1.843
387 HG3 LYS 47 HG1 LYS 47 3.636 -7.930 -1.166
388 HD2 LYS 47 HD2 LYS 47 1.493 -8.122 -2.196
389 HD3 LYS 47 HD1 LYS 47 2.016 -9.503 -3.162
390 HE2 LYS 47 HE2 LYS 47 2.227 -10.859 -1.175
391 HE3 LYS 47 HE1 LYS 47 1.837 -9.477 -0.152
392 HZ1 LYS 47 HZ1 LYS 47 -0.353 -9.391 -1.112
393 HZ2 LYS 47 HZ2 LYS 47 -0.067 -10.947 -0.495
394 HZ3 LYS 47 HZ3 LYS 47 0.008 -10.671 -2.167
395 H GLU 48 HN GLU 48 4.082 -5.594 -0.883
396 HA GLU 48 HA GLU 48 1.406 -5.782 -0.018
397 HB2 GLU 48 HB2 GLU 48 3.569 -3.987 1.106
398 HB3 GLU 48 HB1 GLU 48 2.098 -4.476 1.928
399 HG2 GLU 48 HG2 GLU 48 4.316 -6.319 1.087
400 HG3 GLU 48 HG1 GLU 48 4.078 -5.680 2.710
401 H VAL 49 HN VAL 49 3.323 -2.993 -1.115
402 HA VAL 49 HA VAL 49 1.157 -1.167 -0.809
403 HB VAL 49 HB VAL 49 3.391 -0.257 -0.764
404 HG11 VAL 49 HG11 VAL 49 3.705 -0.963 -3.668
405 HG12 VAL 49 HG12 VAL 49 4.347 -1.960 -2.364
406 HG13 VAL 49 HG13 VAL 49 4.921 -0.302 -2.572
407 HG21 VAL 49 HG21 VAL 49 3.097 1.631 -2.154
408 HG22 VAL 49 HG22 VAL 49 1.477 1.077 -1.722
409 HG23 VAL 49 HG23 VAL 49 2.135 0.713 -3.312
410 H ALA 50 HN ALA 50 2.360 -3.142 -3.461
411 HA ALA 50 HA ALA 50 0.932 -1.982 -5.551
412 HB1 ALA 50 HB1 ALA 50 1.462 -4.926 -5.199
413 HB2 ALA 50 HB2 ALA 50 2.648 -3.759 -5.777
414 HB3 ALA 50 HB3 ALA 50 1.188 -4.067 -6.715
415 H GLU 51 HN GLU 51 -0.100 -4.554 -3.297
416 HA GLU 51 HA GLU 51 -2.702 -4.753 -4.463
417 HB2 GLU 51 HB2 GLU 51 -3.255 -6.201 -2.582
418 HB3 GLU 51 HB1 GLU 51 -1.700 -6.648 -3.264
419 HG2 GLU 51 HG2 GLU 51 -0.546 -5.546 -1.449
420 HG3 GLU 51 HG1 GLU 51 -2.073 -4.967 -0.796
421 H ALA 52 HN ALA 52 -1.347 -3.124 -1.656
422 HA ALA 52 HA ALA 52 -3.829 -2.352 -0.534
423 HB1 ALA 52 HB1 ALA 52 -1.675 -2.628 0.694
424 HB2 ALA 52 HB2 ALA 52 -2.539 -1.128 1.047
425 HB3 ALA 52 HB3 ALA 52 -1.140 -1.108 -0.026
426 H TYR 53 HN TYR 53 -1.509 -0.733 -2.642
427 HA TYR 53 HA TYR 53 -2.873 1.770 -2.565
428 HB2 TYR 53 HB2 TYR 53 -0.621 1.999 -3.122
429 HB3 TYR 53 HB1 TYR 53 -0.648 0.650 -4.251
430 HD1 TYR 53 HD2 TYR 53 -1.881 4.126 -3.758
431 HD2 TYR 53 HD1 TYR 53 -0.961 1.043 -6.541
432 HE1 TYR 53 HE2 TYR 53 -2.220 5.706 -5.610
433 HE2 TYR 53 HE1 TYR 53 -1.298 2.617 -8.401
434 HH TYR 53 HH TYR 53 -2.577 4.740 -8.803
435 H GLU 54 HN GLU 54 -2.946 -1.056 -4.704
436 HA GLU 54 HA GLU 54 -4.572 0.074 -6.704
437 HB2 GLU 54 HB2 GLU 54 -3.947 -2.688 -5.836
438 HB3 GLU 54 HB1 GLU 54 -5.422 -2.476 -6.770
439 HG2 GLU 54 HG2 GLU 54 -3.918 -1.171 -8.408
440 HG3 GLU 54 HG1 GLU 54 -2.592 -1.984 -7.574
441 H VAL 55 HN VAL 55 -5.477 -1.753 -3.788
442 HA VAL 55 HA VAL 55 -8.234 -1.692 -4.344
443 HB VAL 55 HB VAL 55 -7.266 -3.360 -2.857
444 HG11 VAL 55 HG11 VAL 55 -5.616 -2.042 -1.701
445 HG12 VAL 55 HG12 VAL 55 -6.711 -2.790 -0.546
446 HG13 VAL 55 HG13 VAL 55 -6.876 -1.081 -0.931
447 HG21 VAL 55 HG21 VAL 55 -9.353 -1.636 -1.538
448 HG22 VAL 55 HG22 VAL 55 -8.995 -3.312 -1.122
449 HG23 VAL 55 HG23 VAL 55 -9.638 -2.916 -2.715
450 H LEU 56 HN LEU 56 -6.186 0.420 -2.361
451 HA LEU 56 HA LEU 56 -8.399 1.933 -1.382
452 HB2 LEU 56 HB2 LEU 56 -6.315 1.721 -0.120
453 HB3 LEU 56 HB1 LEU 56 -5.455 2.580 -1.382
454 HG LEU 56 HG LEU 56 -6.689 4.616 -0.894
455 HD11 LEU 56 HD11 LEU 56 -8.086 3.003 1.230
456 HD12 LEU 56 HD12 LEU 56 -8.821 3.641 -0.240
457 HD13 LEU 56 HD13 LEU 56 -8.227 4.744 1.000
458 HD21 LEU 56 HD21 LEU 56 -4.651 4.151 0.365
459 HD22 LEU 56 HD22 LEU 56 -5.617 3.356 1.607
460 HD23 LEU 56 HD23 LEU 56 -5.813 5.081 1.314
461 H SER 57 HN SER 57 -6.329 2.189 -4.193
462 HA SER 57 HA SER 57 -7.022 4.940 -4.691
463 HB2 SER 57 HB2 SER 57 -4.845 3.982 -5.411
464 HB3 SER 57 HB1 SER 57 -5.707 2.953 -6.558
465 HG SER 57 HG SER 57 -6.485 5.508 -6.847
466 H ASP 58 HN ASP 58 -8.514 1.954 -5.235
467 HA ASP 58 HA ASP 58 -10.246 3.140 -7.300
468 HB2 ASP 58 HB2 ASP 58 -9.550 0.283 -6.672
469 HB3 ASP 58 HB1 ASP 58 -11.038 0.677 -7.526
470 H LYS 59 HN LYS 59 -12.205 3.717 -6.698
471 HA LYS 59 HA LYS 59 -12.880 3.596 -3.968
472 HB2 LYS 59 HB2 LYS 59 -13.706 5.518 -4.833
473 HB3 LYS 59 HB1 LYS 59 -13.961 4.824 -6.423
474 HG2 LYS 59 HG2 LYS 59 -15.777 4.009 -4.218
475 HG3 LYS 59 HG1 LYS 59 -15.964 5.614 -4.934
476 HD2 LYS 59 HD2 LYS 59 -16.312 4.706 -7.094
477 HD3 LYS 59 HD1 LYS 59 -15.809 3.096 -6.569
478 HE2 LYS 59 HE2 LYS 59 -18.229 3.196 -6.784
479 HE3 LYS 59 HE1 LYS 59 -17.779 2.997 -5.091
480 HZ1 LYS 59 HZ1 LYS 59 -18.573 5.546 -6.393
481 HZ2 LYS 59 HZ2 LYS 59 -18.112 5.383 -4.773
482 HZ3 LYS 59 HZ3 LYS 59 -19.524 4.633 -5.330
483 H HIS 60 HN HIS 60 -13.918 1.777 -6.799
484 HA HIS 60 HA HIS 60 -16.009 0.405 -5.427
485 HB2 HIS 60 HB2 HIS 60 -15.877 0.631 -7.915
486 HB3 HIS 60 HB1 HIS 60 -14.558 -0.538 -7.900
487 HD1 HIS 60 HD1 HIS 60 -18.031 -0.467 -6.326
488 HD2 HIS 60 HD2 HIS 60 -15.547 -2.983 -8.523
489 HE1 HIS 60 HE1 HIS 60 -19.326 -2.603 -6.638
490 HE2 HIS 60 HE2 HIS 60 -17.724 -4.178 -7.787
491 H LYS 61 HN LYS 61 -12.585 -0.260 -5.955
492 HA LYS 61 HA LYS 61 -12.707 -2.951 -5.038
493 HB2 LYS 61 HB2 LYS 61 -10.472 -1.001 -5.466
494 HB3 LYS 61 HB1 LYS 61 -10.162 -2.509 -4.626
495 HG2 LYS 61 HG2 LYS 61 -9.575 -2.768 -6.927
496 HG3 LYS 61 HG1 LYS 61 -11.012 -3.733 -6.606
497 HD2 LYS 61 HD2 LYS 61 -12.416 -2.117 -7.662
498 HD3 LYS 61 HD1 LYS 61 -11.074 -0.980 -7.812
499 HE2 LYS 61 HE2 LYS 61 -11.206 -3.685 -9.131
500 HE3 LYS 61 HE1 LYS 61 -11.590 -2.159 -9.917
501 HZ1 LYS 61 HZ1 LYS 61 -9.296 -1.426 -9.440
502 HZ2 LYS 61 HZ2 LYS 61 -9.359 -2.786 -10.453
503 HZ3 LYS 61 HZ3 LYS 61 -8.949 -2.967 -8.819
504 H ARG 62 HN ARG 62 -11.865 0.117 -3.455
505 HA ARG 62 HA ARG 62 -11.209 -1.116 -0.997
506 HB2 ARG 62 HB2 ARG 62 -11.301 1.135 -0.017
507 HB3 ARG 62 HB1 ARG 62 -10.336 1.071 -1.484
508 HG2 ARG 62 HG2 ARG 62 -11.836 2.319 -2.694
509 HG3 ARG 62 HG1 ARG 62 -13.197 1.899 -1.641
510 HD2 ARG 62 HD2 ARG 62 -10.908 3.762 -1.026
511 HD3 ARG 62 HD1 ARG 62 -12.614 4.181 -1.210
512 HE ARG 62 HE ARG 62 -11.610 2.469 0.975
513 HH11 ARG 62 HH11 ARG 62 -13.550 5.145 -0.166
514 HH12 ARG 62 HH12 ARG 62 -14.365 5.366 1.358
515 HH21 ARG 62 HH21 ARG 62 -12.658 2.754 2.969
516 HH22 ARG 62 HH22 ARG 62 -13.835 4.016 3.144
517 H GLU 63 HN GLU 63 -14.257 0.118 -2.294
518 HA GLU 63 HA GLU 63 -15.650 -0.077 0.182
519 HB2 GLU 63 HB2 GLU 63 -17.657 0.268 -1.040
520 HB3 GLU 63 HB1 GLU 63 -16.429 1.247 -1.825
521 HG2 GLU 63 HG2 GLU 63 -16.195 -0.448 -3.568
522 HG3 GLU 63 HG1 GLU 63 -17.430 -1.425 -2.778
523 H ILE 64 HN ILE 64 -15.082 -2.281 -2.506
524 HA ILE 64 HA ILE 64 -16.646 -4.428 -1.542
525 HB ILE 64 HB ILE 64 -14.262 -4.336 -3.399
526 HG12 ILE 64 HG12 ILE 64 -16.315 -3.359 -4.273
527 HG13 ILE 64 HG11 ILE 64 -15.963 -4.868 -5.107
528 HG21 ILE 64 HG21 ILE 64 -15.947 -6.742 -2.700
529 HG22 ILE 64 HG22 ILE 64 -14.247 -6.509 -2.294
530 HG23 ILE 64 HG23 ILE 64 -14.738 -6.671 -3.980
531 HD11 ILE 64 HD11 ILE 64 -17.971 -4.525 -2.888
532 HD12 ILE 64 HD12 ILE 64 -17.640 -6.014 -3.773
533 HD13 ILE 64 HD13 ILE 64 -18.337 -4.628 -4.611
534 H TYR 65 HN TYR 65 -13.248 -3.555 -1.135
535 HA TYR 65 HA TYR 65 -12.467 -5.760 0.412
536 HB2 TYR 65 HB2 TYR 65 -10.970 -4.089 -0.705
537 HB3 TYR 65 HB1 TYR 65 -11.345 -2.965 0.596
538 HD1 TYR 65 HD1 TYR 65 -9.850 -6.281 -0.125
539 HD2 TYR 65 HD2 TYR 65 -10.147 -3.050 2.628
540 HE1 TYR 65 HE1 TYR 65 -8.010 -7.241 1.191
541 HE2 TYR 65 HE2 TYR 65 -8.307 -4.004 3.953
542 HH TYR 65 HH TYR 65 -6.293 -6.474 2.789
543 H ASP 66 HN ASP 66 -14.018 -2.734 1.262
544 HA ASP 66 HA ASP 66 -13.651 -2.895 4.068
545 HB2 ASP 66 HB2 ASP 66 -14.224 -0.807 2.941
546 HB3 ASP 66 HB1 ASP 66 -15.764 -1.479 2.430
547 H ARG 67 HN ARG 67 -16.350 -3.823 1.953
548 HA ARG 67 HA ARG 67 -17.847 -4.786 4.246
549 HB2 ARG 67 HB2 ARG 67 -19.696 -5.054 2.730
550 HB3 ARG 67 HB1 ARG 67 -18.950 -3.485 2.465
551 HG2 ARG 67 HG2 ARG 67 -17.628 -4.849 0.613
552 HG3 ARG 67 HG1 ARG 67 -19.077 -5.854 0.694
553 HD2 ARG 67 HD2 ARG 67 -18.893 -2.919 0.079
554 HD3 ARG 67 HD1 ARG 67 -19.438 -4.212 -0.991
555 HE ARG 67 HE ARG 67 -21.224 -4.410 0.978
556 HH11 ARG 67 HH11 ARG 67 -20.023 -1.620 -0.757
557 HH12 ARG 67 HH12 ARG 67 -21.465 -0.683 -0.531
558 HH21 ARG 67 HH21 ARG 67 -23.140 -3.161 1.306
559 HH22 ARG 67 HH22 ARG 67 -23.223 -1.547 0.653
560 H TYR 68 HN TYR 68 -16.089 -6.156 1.532
561 HA TYR 68 HA TYR 68 -17.083 -8.830 2.249
562 HB2 TYR 68 HB2 TYR 68 -17.423 -8.075 -0.087
563 HB3 TYR 68 HB1 TYR 68 -15.681 -7.911 -0.272
564 HD1 TYR 68 HD2 TYR 68 -18.222 -10.472 0.698
565 HD2 TYR 68 HD1 TYR 68 -14.515 -9.664 -1.226
566 HE1 TYR 68 HE2 TYR 68 -18.091 -12.819 -0.020
567 HE2 TYR 68 HE1 TYR 68 -14.372 -12.008 -1.949
568 HH TYR 68 HH TYR 68 -15.251 -14.202 -1.256
569 H GLY 69 HN GLY 69 -14.504 -6.851 2.806
570 HA2 GLY 69 HA2 GLY 69 -12.257 -8.511 2.505
571 HA3 GLY 69 HA1 GLY 69 -12.413 -7.187 3.654
572 H ARG 70 HN ARG 70 -14.269 -7.915 5.328
573 HA ARG 70 HA ARG 70 -13.038 -9.709 7.077
574 HB2 ARG 70 HB2 ARG 70 -15.893 -8.738 6.979
575 HB3 ARG 70 HB1 ARG 70 -15.213 -9.656 8.316
576 HG2 ARG 70 HG2 ARG 70 -14.266 -6.961 7.366
577 HG3 ARG 70 HG1 ARG 70 -15.249 -7.276 8.801
578 HD2 ARG 70 HD2 ARG 70 -13.387 -8.750 9.625
579 HD3 ARG 70 HD1 ARG 70 -12.411 -8.147 8.287
580 HE ARG 70 HE ARG 70 -13.545 -6.074 9.935
581 HH11 ARG 70 HH11 ARG 70 -10.849 -8.267 9.505
582 HH12 ARG 70 HH12 ARG 70 -9.755 -7.319 10.476
583 HH21 ARG 70 HH21 ARG 70 -12.138 -4.838 11.212
584 HH22 ARG 70 HH22 ARG 70 -10.503 -5.373 11.478
585 H GLU 71 HN GLU 71 -15.557 -10.236 4.681
586 HA GLU 71 HA GLU 71 -16.174 -12.874 5.651
587 HB2 GLU 71 HB2 GLU 71 -17.057 -11.399 3.167
588 HB3 GLU 71 HB1 GLU 71 -17.665 -12.975 3.656
589 HG2 GLU 71 HG2 GLU 71 -17.933 -10.407 5.205
590 HG3 GLU 71 HG1 GLU 71 -19.206 -11.209 4.285
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 -13.476 5.315 10.657
2 H2 MET 1 HT2 MET 1 -13.119 6.762 9.855
3 H3 MET 1 HT3 MET 1 -13.186 6.723 11.553
4 HA MET 1 HA MET 1 -10.909 6.770 10.800
5 HB2 MET 1 HB2 MET 1 -10.090 4.991 12.148
6 HB3 MET 1 HB1 MET 1 -11.632 5.450 12.850
7 HG2 MET 1 HG2 MET 1 -11.163 3.087 11.041
8 HG3 MET 1 HG1 MET 1 -11.318 3.027 12.793
9 HE1 MET 1 HE1 MET 1 -13.636 4.998 13.464
10 HE2 MET 1 HE2 MET 1 -13.581 3.357 14.107
11 HE3 MET 1 HE3 MET 1 -15.057 3.961 13.354
12 H ALA 2 HN ALA 2 -9.136 5.506 9.808
13 HA ALA 2 HA ALA 2 -10.033 3.569 7.794
14 HB1 ALA 2 HB1 ALA 2 -9.879 5.739 6.663
15 HB2 ALA 2 HB2 ALA 2 -8.656 4.611 6.074
16 HB3 ALA 2 HB3 ALA 2 -8.205 5.895 7.196
17 H SER 3 HN SER 3 -9.032 1.773 8.418
18 HA SER 3 HA SER 3 -6.577 1.651 9.807
19 HB2 SER 3 HB2 SER 3 -7.893 -0.489 8.117
20 HB3 SER 3 HB1 SER 3 -6.639 -0.754 9.327
21 HG SER 3 HG SER 3 -9.283 -0.594 9.668
22 H TYR 4 HN TYR 4 -7.284 2.181 6.539
23 HA TYR 4 HA TYR 4 -4.980 1.098 5.323
24 HB2 TYR 4 HB2 TYR 4 -6.608 3.480 4.409
25 HB3 TYR 4 HB1 TYR 4 -5.556 2.483 3.412
26 HD1 TYR 4 HD2 TYR 4 -6.221 0.138 2.886
27 HD2 TYR 4 HD1 TYR 4 -8.836 2.821 4.902
28 HE1 TYR 4 HE2 TYR 4 -8.124 -1.325 2.351
29 HE2 TYR 4 HE1 TYR 4 -10.746 1.367 4.374
30 HH TYR 4 HH TYR 4 -10.395 -1.790 3.245
31 H TYR 5 HN TYR 5 -5.612 4.058 7.050
32 HA TYR 5 HA TYR 5 -3.305 5.507 6.313
33 HB2 TYR 5 HB2 TYR 5 -5.093 6.647 7.439
34 HB3 TYR 5 HB1 TYR 5 -5.038 5.528 8.793
35 HD1 TYR 5 HD2 TYR 5 -3.145 8.251 7.108
36 HD2 TYR 5 HD1 TYR 5 -3.677 5.959 10.653
37 HE1 TYR 5 HE2 TYR 5 -1.649 9.783 8.318
38 HE2 TYR 5 HE1 TYR 5 -2.185 7.485 11.870
39 HH TYR 5 HH TYR 5 -1.240 10.497 10.631
40 H GLU 6 HN GLU 6 -3.968 3.061 8.713
41 HA GLU 6 HA GLU 6 -1.438 3.163 10.005
42 HB2 GLU 6 HB2 GLU 6 -3.583 1.038 9.946
43 HB3 GLU 6 HB1 GLU 6 -2.168 0.989 10.989
44 HG2 GLU 6 HG2 GLU 6 -4.108 3.271 11.020
45 HG3 GLU 6 HG1 GLU 6 -4.324 1.827 12.011
46 H ILE 7 HN ILE 7 -2.853 1.108 7.478
47 HA ILE 7 HA ILE 7 -0.609 -0.635 7.376
48 HB ILE 7 HB ILE 7 -1.641 -1.618 5.376
49 HG12 ILE 7 HG12 ILE 7 -4.128 -0.695 5.068
50 HG13 ILE 7 HG11 ILE 7 -3.357 0.814 5.537
51 HG21 ILE 7 HG21 ILE 7 -3.522 -2.562 6.473
52 HG22 ILE 7 HG22 ILE 7 -3.721 -1.137 7.491
53 HG23 ILE 7 HG23 ILE 7 -2.326 -2.199 7.720
54 HD11 ILE 7 HD11 ILE 7 -1.776 0.552 3.682
55 HD12 ILE 7 HD12 ILE 7 -3.453 0.628 3.145
56 HD13 ILE 7 HD13 ILE 7 -2.614 -0.922 3.201
57 H LEU 8 HN LEU 8 -1.556 2.213 5.510
58 HA LEU 8 HA LEU 8 0.866 1.882 3.895
59 HB2 LEU 8 HB2 LEU 8 -1.295 2.302 2.736
60 HB3 LEU 8 HB1 LEU 8 -1.391 3.856 3.539
61 HG LEU 8 HG LEU 8 0.640 4.598 2.377
62 HD11 LEU 8 HD11 LEU 8 1.644 3.248 0.637
63 HD12 LEU 8 HD12 LEU 8 0.505 1.943 0.955
64 HD13 LEU 8 HD13 LEU 8 1.700 2.385 2.172
65 HD21 LEU 8 HD21 LEU 8 -1.586 4.958 1.365
66 HD22 LEU 8 HD22 LEU 8 -1.397 3.448 0.469
67 HD23 LEU 8 HD23 LEU 8 -0.305 4.799 0.163
68 H ASP 9 HN ASP 9 -0.648 4.939 4.697
69 HA ASP 9 HA ASP 9 0.770 5.839 6.834
70 HB2 ASP 9 HB2 ASP 9 2.622 7.175 5.953
71 HB3 ASP 9 HB1 ASP 9 2.868 5.467 5.621
72 H VAL 10 HN VAL 10 -1.008 6.336 4.016
73 HA VAL 10 HA VAL 10 -1.750 9.023 4.967
74 HB VAL 10 HB VAL 10 -2.584 9.466 2.657
75 HG11 VAL 10 HG11 VAL 10 -0.367 9.837 1.660
76 HG12 VAL 10 HG12 VAL 10 0.345 8.813 2.905
77 HG13 VAL 10 HG13 VAL 10 -0.434 10.330 3.352
78 HG21 VAL 10 HG21 VAL 10 -1.126 6.911 1.992
79 HG22 VAL 10 HG22 VAL 10 -1.806 8.044 0.824
80 HG23 VAL 10 HG23 VAL 10 -2.871 7.162 1.919
81 HA PRO 11 HA PRO 11 -5.742 7.322 5.645
82 HB2 PRO 11 HB2 PRO 11 -7.104 9.534 6.146
83 HB3 PRO 11 HB1 PRO 11 -5.710 9.096 7.142
84 HG2 PRO 11 HG2 PRO 11 -5.916 11.115 4.949
85 HG3 PRO 11 HG1 PRO 11 -5.049 11.220 6.491
86 HD2 PRO 11 HD2 PRO 11 -3.922 10.542 4.020
87 HD3 PRO 11 HD1 PRO 11 -3.184 10.262 5.609
88 H ARG 12 HN ARG 12 -8.218 8.284 5.139
89 HA ARG 12 HA ARG 12 -8.514 7.501 2.387
90 HB2 ARG 12 HB2 ARG 12 -10.913 7.535 2.833
91 HB3 ARG 12 HB1 ARG 12 -10.052 6.625 4.065
92 HG2 ARG 12 HG2 ARG 12 -10.311 8.382 5.645
93 HG3 ARG 12 HG1 ARG 12 -10.899 9.493 4.408
94 HD2 ARG 12 HD2 ARG 12 -12.812 8.793 5.569
95 HD3 ARG 12 HD1 ARG 12 -12.815 7.864 4.073
96 HE ARG 12 HE ARG 12 -11.671 6.634 6.469
97 HH11 ARG 12 HH11 ARG 12 -14.250 6.839 4.118
98 HH12 ARG 12 HH12 ARG 12 -15.010 5.352 4.615
99 HH21 ARG 12 HH21 ARG 12 -12.680 4.673 7.155
100 HH22 ARG 12 HH22 ARG 12 -14.125 4.132 6.350
101 H SER 13 HN SER 13 -8.771 10.469 4.194
102 HA SER 13 HA SER 13 -10.257 11.930 2.259
103 HB2 SER 13 HB2 SER 13 -8.492 12.886 4.523
104 HB3 SER 13 HB1 SER 13 -9.575 13.919 3.587
105 HG SER 13 HG SER 13 -11.317 12.654 4.324
106 H ALA 14 HN ALA 14 -7.121 10.808 2.216
107 HA ALA 14 HA ALA 14 -5.890 12.938 0.770
108 HB1 ALA 14 HB1 ALA 14 -4.565 11.394 2.086
109 HB2 ALA 14 HB2 ALA 14 -4.129 11.261 0.391
110 HB3 ALA 14 HB3 ALA 14 -5.149 10.035 1.126
111 H SER 15 HN SER 15 -5.583 13.081 -1.446
112 HA SER 15 HA SER 15 -7.570 11.845 -3.092
113 HB2 SER 15 HB2 SER 15 -6.810 14.169 -3.454
114 HB3 SER 15 HB1 SER 15 -5.200 13.574 -3.852
115 HG SER 15 HG SER 15 -5.885 13.330 -5.807
116 H ALA 16 HN ALA 16 -7.092 10.561 -5.025
117 HA ALA 16 HA ALA 16 -5.720 8.246 -4.397
118 HB1 ALA 16 HB1 ALA 16 -5.984 7.595 -6.716
119 HB2 ALA 16 HB2 ALA 16 -6.301 9.270 -7.160
120 HB3 ALA 16 HB3 ALA 16 -7.441 8.403 -6.136
121 H ASP 17 HN ASP 17 -4.591 11.023 -6.256
122 HA ASP 17 HA ASP 17 -2.108 9.953 -7.040
123 HB2 ASP 17 HB2 ASP 17 -1.447 12.395 -7.279
124 HB3 ASP 17 HB1 ASP 17 -2.844 11.869 -8.210
125 H ASP 18 HN ASP 18 -3.114 11.603 -4.110
126 HA ASP 18 HA ASP 18 -0.506 11.939 -3.035
127 HB2 ASP 18 HB2 ASP 18 -2.632 13.128 -2.270
128 HB3 ASP 18 HB1 ASP 18 -3.036 11.643 -1.413
129 H ILE 19 HN ILE 19 -2.997 9.427 -2.655
130 HA ILE 19 HA ILE 19 -1.537 7.685 -1.009
131 HB ILE 19 HB ILE 19 -3.702 7.227 -3.030
132 HG12 ILE 19 HG12 ILE 19 -4.743 6.230 -0.873
133 HG13 ILE 19 HG11 ILE 19 -3.452 7.099 -0.052
134 HG21 ILE 19 HG21 ILE 19 -2.250 5.281 -3.250
135 HG22 ILE 19 HG22 ILE 19 -3.783 4.860 -2.488
136 HG23 ILE 19 HG23 ILE 19 -2.326 5.023 -1.507
137 HD11 ILE 19 HD11 ILE 19 -5.747 8.159 -1.614
138 HD12 ILE 19 HD12 ILE 19 -4.272 9.102 -1.433
139 HD13 ILE 19 HD13 ILE 19 -5.182 8.605 -0.002
140 H LYS 20 HN LYS 20 -1.630 8.083 -4.502
141 HA LYS 20 HA LYS 20 0.085 6.015 -5.265
142 HB2 LYS 20 HB2 LYS 20 -1.349 7.465 -6.753
143 HB3 LYS 20 HB1 LYS 20 -0.154 8.738 -6.562
144 HG2 LYS 20 HG2 LYS 20 0.252 7.671 -8.638
145 HG3 LYS 20 HG1 LYS 20 1.541 7.191 -7.534
146 HD2 LYS 20 HD2 LYS 20 0.942 5.207 -8.616
147 HD3 LYS 20 HD1 LYS 20 0.118 5.118 -7.061
148 HE2 LYS 20 HE2 LYS 20 -1.201 6.098 -9.589
149 HE3 LYS 20 HE1 LYS 20 -1.239 4.418 -9.069
150 HZ1 LYS 20 HZ1 LYS 20 -2.557 6.761 -7.866
151 HZ2 LYS 20 HZ2 LYS 20 -2.181 5.425 -6.898
152 HZ3 LYS 20 HZ3 LYS 20 -3.198 5.233 -8.232
153 H LYS 21 HN LYS 21 0.747 9.359 -4.314
154 HA LYS 21 HA LYS 21 3.540 9.271 -4.724
155 HB2 LYS 21 HB2 LYS 21 1.709 11.221 -4.009
156 HB3 LYS 21 HB1 LYS 21 2.690 11.040 -2.559
157 HG2 LYS 21 HG2 LYS 21 3.693 11.654 -5.331
158 HG3 LYS 21 HG1 LYS 21 3.587 12.777 -3.977
159 HD2 LYS 21 HD2 LYS 21 5.497 12.029 -3.064
160 HD3 LYS 21 HD1 LYS 21 5.086 10.342 -3.378
161 HE2 LYS 21 HE2 LYS 21 7.105 11.054 -4.587
162 HE3 LYS 21 HE1 LYS 21 5.808 10.541 -5.665
163 HZ1 LYS 21 HZ1 LYS 21 6.495 13.361 -5.013
164 HZ2 LYS 21 HZ2 LYS 21 5.283 12.861 -6.090
165 HZ3 LYS 21 HZ3 LYS 21 6.914 12.555 -6.444
166 H ALA 22 HN ALA 22 1.520 8.679 -1.873
167 HA ALA 22 HA ALA 22 3.584 8.291 -0.016
168 HB1 ALA 22 HB1 ALA 22 1.949 7.200 1.368
169 HB2 ALA 22 HB2 ALA 22 0.894 6.921 -0.014
170 HB3 ALA 22 HB3 ALA 22 1.184 8.565 0.556
171 H TYR 23 HN TYR 23 1.947 6.015 -2.174
172 HA TYR 23 HA TYR 23 3.397 3.730 -1.400
173 HB2 TYR 23 HB2 TYR 23 1.636 3.043 -2.639
174 HB3 TYR 23 HB1 TYR 23 1.639 4.486 -3.651
175 HD1 TYR 23 HD2 TYR 23 3.187 1.158 -3.174
176 HD2 TYR 23 HD1 TYR 23 2.698 4.476 -5.789
177 HE1 TYR 23 HE2 TYR 23 4.188 -0.143 -5.001
178 HE2 TYR 23 HE1 TYR 23 3.694 3.182 -7.626
179 HH TYR 23 HH TYR 23 5.278 1.218 -7.851
180 H ARG 24 HN ARG 24 4.056 6.222 -3.837
181 HA ARG 24 HA ARG 24 6.244 4.881 -5.013
182 HB2 ARG 24 HB2 ARG 24 5.487 7.805 -4.953
183 HB3 ARG 24 HB1 ARG 24 6.897 7.206 -5.814
184 HG2 ARG 24 HG2 ARG 24 5.516 5.885 -7.260
185 HG3 ARG 24 HG1 ARG 24 4.077 6.299 -6.320
186 HD2 ARG 24 HD2 ARG 24 4.412 8.655 -6.859
187 HD3 ARG 24 HD1 ARG 24 5.828 8.237 -7.818
188 HE ARG 24 HE ARG 24 3.545 6.816 -8.732
189 HH11 ARG 24 HH11 ARG 24 5.077 9.961 -8.778
190 HH12 ARG 24 HH12 ARG 24 4.334 10.452 -10.265
191 HH21 ARG 24 HH21 ARG 24 2.559 7.464 -10.700
192 HH22 ARG 24 HH22 ARG 24 2.891 9.039 -11.355
193 H ARG 25 HN ARG 25 6.105 7.303 -2.400
194 HA ARG 25 HA ARG 25 8.938 7.438 -2.130
195 HB2 ARG 25 HB2 ARG 25 8.513 8.603 -0.010
196 HB3 ARG 25 HB1 ARG 25 7.550 9.263 -1.323
197 HG2 ARG 25 HG2 ARG 25 5.589 8.099 -0.510
198 HG3 ARG 25 HG1 ARG 25 6.545 7.343 0.768
199 HD2 ARG 25 HD2 ARG 25 6.987 9.482 1.769
200 HD3 ARG 25 HD1 ARG 25 6.204 10.315 0.428
201 HE ARG 25 HE ARG 25 4.526 8.461 1.905
202 HH11 ARG 25 HH11 ARG 25 5.648 11.753 1.529
203 HH12 ARG 25 HH12 ARG 25 4.275 12.454 2.339
204 HH21 ARG 25 HH21 ARG 25 2.704 9.362 2.955
205 HH22 ARG 25 HH22 ARG 25 2.579 11.093 3.110
206 H LYS 26 HN LYS 26 6.422 5.558 -0.541
207 HA LYS 26 HA LYS 26 8.069 4.250 1.339
208 HB2 LYS 26 HB2 LYS 26 5.634 4.282 1.515
209 HB3 LYS 26 HB1 LYS 26 5.490 3.377 0.016
210 HG2 LYS 26 HG2 LYS 26 6.604 1.467 1.088
211 HG3 LYS 26 HG1 LYS 26 6.674 2.379 2.596
212 HD2 LYS 26 HD2 LYS 26 4.019 2.181 1.318
213 HD3 LYS 26 HD1 LYS 26 4.678 0.680 1.963
214 HE2 LYS 26 HE2 LYS 26 3.286 1.805 3.613
215 HE3 LYS 26 HE1 LYS 26 4.960 1.730 4.147
216 HZ1 LYS 26 HZ1 LYS 26 3.848 3.883 4.552
217 HZ2 LYS 26 HZ2 LYS 26 3.733 4.129 2.884
218 HZ3 LYS 26 HZ3 LYS 26 5.257 4.017 3.627
219 H ALA 27 HN ALA 27 7.131 3.521 -1.979
220 HA ALA 27 HA ALA 27 8.460 1.050 -2.247
221 HB1 ALA 27 HB1 ALA 27 8.189 2.889 -4.576
222 HB2 ALA 27 HB2 ALA 27 6.731 2.280 -3.801
223 HB3 ALA 27 HB3 ALA 27 7.909 1.150 -4.476
224 H LEU 28 HN LEU 28 9.507 4.382 -2.777
225 HA LEU 28 HA LEU 28 11.997 3.864 -3.947
226 HB2 LEU 28 HB2 LEU 28 10.575 6.111 -2.999
227 HB3 LEU 28 HB1 LEU 28 12.131 6.143 -2.195
228 HG LEU 28 HG LEU 28 12.169 7.483 -4.226
229 HD11 LEU 28 HD11 LEU 28 14.227 6.380 -3.536
230 HD12 LEU 28 HD12 LEU 28 14.130 6.486 -5.293
231 HD13 LEU 28 HD13 LEU 28 13.795 4.955 -4.483
232 HD21 LEU 28 HD21 LEU 28 11.818 6.558 -6.401
233 HD22 LEU 28 HD22 LEU 28 10.415 6.160 -5.405
234 HD23 LEU 28 HD23 LEU 28 11.637 4.935 -5.736
235 H GLN 29 HN GLN 29 11.029 4.045 -0.556
236 HA GLN 29 HA GLN 29 13.608 4.004 0.571
237 HB2 GLN 29 HB2 GLN 29 11.011 2.978 1.724
238 HB3 GLN 29 HB1 GLN 29 12.481 3.275 2.644
239 HG2 GLN 29 HG2 GLN 29 10.810 5.315 1.198
240 HG3 GLN 29 HG1 GLN 29 10.944 5.100 2.941
241 HE21 GLN 29 HE21 GLN 29 12.488 6.266 0.068
242 HE22 GLN 29 HE22 GLN 29 13.759 7.149 0.847
243 H TRP 30 HN TRP 30 11.469 1.428 -0.474
244 HA TRP 30 HA TRP 30 13.479 -0.538 0.379
245 HB2 TRP 30 HB2 TRP 30 10.512 -0.914 -0.088
246 HB3 TRP 30 HB1 TRP 30 11.636 -2.202 0.336
247 HD1 TRP 30 HD1 TRP 30 13.274 -0.809 2.620
248 HE1 TRP 30 HE1 TRP 30 12.167 -0.285 4.886
249 HE3 TRP 30 HE3 TRP 30 8.377 -0.819 1.143
250 HZ2 TRP 30 HZ2 TRP 30 9.555 0.065 5.906
251 HZ3 TRP 30 HZ3 TRP 30 6.640 -0.384 2.830
252 HH2 TRP 30 HH2 TRP 30 7.215 0.048 5.159
253 H HIS 31 HN HIS 31 13.241 1.101 -2.160
254 HA HIS 31 HA HIS 31 12.696 -0.760 -4.270
255 HB2 HIS 31 HB2 HIS 31 13.121 1.997 -4.069
256 HB3 HIS 31 HB1 HIS 31 14.514 1.408 -4.969
257 HD1 HIS 31 HD1 HIS 31 14.154 0.770 -7.399
258 HD2 HIS 31 HD2 HIS 31 10.600 1.541 -5.362
259 HE1 HIS 31 HE1 HIS 31 12.365 0.864 -9.158
260 HE2 HIS 31 HE2 HIS 31 10.287 1.568 -7.932
261 HA PRO 32 HA PRO 32 16.396 -3.173 -4.203
262 HB2 PRO 32 HB2 PRO 32 16.689 -3.453 -6.959
263 HB3 PRO 32 HB1 PRO 32 15.701 -4.486 -5.924
264 HG2 PRO 32 HG2 PRO 32 14.890 -2.172 -7.627
265 HG3 PRO 32 HG1 PRO 32 14.043 -3.701 -7.331
266 HD2 PRO 32 HD2 PRO 32 13.270 -1.445 -6.134
267 HD3 PRO 32 HD1 PRO 32 13.240 -2.997 -5.266
268 H ASP 33 HN ASP 33 16.154 -0.380 -6.290
269 HA ASP 33 HA ASP 33 18.881 0.011 -6.867
270 HB2 ASP 33 HB2 ASP 33 16.837 2.207 -6.504
271 HB3 ASP 33 HB1 ASP 33 18.258 2.218 -7.540
272 H LYS 34 HN LYS 34 16.920 0.763 -4.083
273 HA LYS 34 HA LYS 34 19.127 2.287 -2.875
274 HB2 LYS 34 HB2 LYS 34 16.160 2.523 -2.366
275 HB3 LYS 34 HB1 LYS 34 17.411 3.481 -1.598
276 HG2 LYS 34 HG2 LYS 34 16.711 3.500 -4.527
277 HG3 LYS 34 HG1 LYS 34 16.311 4.750 -3.347
278 HD2 LYS 34 HD2 LYS 34 18.704 5.144 -2.972
279 HD3 LYS 34 HD1 LYS 34 19.082 3.908 -4.173
280 HE2 LYS 34 HE2 LYS 34 17.488 6.404 -4.744
281 HE3 LYS 34 HE1 LYS 34 19.222 6.253 -5.022
282 HZ1 LYS 34 HZ1 LYS 34 18.061 5.856 -7.057
283 HZ2 LYS 34 HZ2 LYS 34 17.072 4.678 -6.344
284 HZ3 LYS 34 HZ3 LYS 34 18.734 4.391 -6.540
285 H ASN 35 HN ASN 35 18.351 -0.656 -2.863
286 HA ASN 35 HA ASN 35 18.070 -1.002 0.050
287 HB2 ASN 35 HB2 ASN 35 16.145 -1.928 -1.182
288 HB3 ASN 35 HB1 ASN 35 17.240 -2.879 -2.186
289 HD21 ASN 35 HD21 ASN 35 15.790 -2.523 0.936
290 HD22 ASN 35 HD22 ASN 35 16.211 -4.096 1.523
291 HA PRO 36 HA PRO 36 22.105 -2.798 -0.353
292 HB2 PRO 36 HB2 PRO 36 22.537 -3.285 2.272
293 HB3 PRO 36 HB1 PRO 36 22.554 -1.663 1.577
294 HG2 PRO 36 HG2 PRO 36 20.540 -2.944 3.302
295 HG3 PRO 36 HG1 PRO 36 20.872 -1.226 3.040
296 HD2 PRO 36 HD2 PRO 36 18.793 -2.813 1.877
297 HD3 PRO 36 HD1 PRO 36 19.154 -1.103 1.585
298 H ASP 37 HN ASP 37 21.652 -4.668 2.461
299 HA ASP 37 HA ASP 37 22.000 -7.055 0.810
300 HB2 ASP 37 HB2 ASP 37 22.616 -6.493 3.695
301 HB3 ASP 37 HB1 ASP 37 22.729 -8.100 2.995
302 H ASN 38 HN ASN 38 19.497 -5.615 2.521
303 HA ASN 38 HA ASN 38 18.282 -8.220 3.147
304 HB2 ASN 38 HB2 ASN 38 17.523 -5.423 4.027
305 HB3 ASN 38 HB1 ASN 38 16.602 -6.869 4.421
306 HD21 ASN 38 HD21 ASN 38 17.408 -8.321 5.915
307 HD22 ASN 38 HD22 ASN 38 18.720 -7.925 6.972
308 H LYS 39 HN LYS 39 17.328 -8.961 1.317
309 HA LYS 39 HA LYS 39 16.017 -6.988 -0.423
310 HB2 LYS 39 HB2 LYS 39 16.598 -9.837 -1.190
311 HB3 LYS 39 HB1 LYS 39 16.340 -8.454 -2.241
312 HG2 LYS 39 HG2 LYS 39 18.763 -8.977 -0.529
313 HG3 LYS 39 HG1 LYS 39 18.656 -9.131 -2.282
314 HD2 LYS 39 HD2 LYS 39 18.314 -6.578 -0.710
315 HD3 LYS 39 HD1 LYS 39 19.758 -7.048 -1.604
316 HE2 LYS 39 HE2 LYS 39 17.030 -6.627 -2.815
317 HE3 LYS 39 HE1 LYS 39 18.331 -5.439 -2.820
318 HZ1 LYS 39 HZ1 LYS 39 19.677 -7.249 -3.964
319 HZ2 LYS 39 HZ2 LYS 39 18.475 -6.468 -4.870
320 HZ3 LYS 39 HZ3 LYS 39 18.190 -8.021 -4.250
321 H GLU 40 HN GLU 40 15.444 -9.799 1.498
322 HA GLU 40 HA GLU 40 13.109 -10.763 0.275
323 HB2 GLU 40 HB2 GLU 40 14.466 -12.004 1.944
324 HB3 GLU 40 HB1 GLU 40 13.877 -10.923 3.193
325 HG2 GLU 40 HG2 GLU 40 11.560 -11.684 2.641
326 HG3 GLU 40 HG1 GLU 40 12.282 -12.900 1.587
327 H PHE 41 HN PHE 41 13.558 -8.500 2.974
328 HA PHE 41 HA PHE 41 10.748 -8.154 3.316
329 HB2 PHE 41 HB2 PHE 41 11.225 -6.776 5.087
330 HB3 PHE 41 HB1 PHE 41 12.714 -7.702 5.006
331 HD1 PHE 41 HD1 PHE 41 14.654 -6.611 3.638
332 HD2 PHE 41 HD2 PHE 41 11.286 -4.495 5.146
333 HE1 PHE 41 HE1 PHE 41 15.925 -4.506 3.523
334 HE2 PHE 41 HE2 PHE 41 12.550 -2.391 5.031
335 HZ PHE 41 HZ PHE 41 14.873 -2.394 4.218
336 H ALA 42 HN ALA 42 13.226 -6.490 1.466
337 HA ALA 42 HA ALA 42 11.746 -4.173 0.855
338 HB1 ALA 42 HB1 ALA 42 14.031 -5.547 -0.540
339 HB2 ALA 42 HB2 ALA 42 14.063 -4.059 0.413
340 HB3 ALA 42 HB3 ALA 42 13.295 -4.078 -1.174
341 H GLU 43 HN GLU 43 12.033 -7.301 -0.816
342 HA GLU 43 HA GLU 43 10.444 -6.506 -3.035
343 HB2 GLU 43 HB2 GLU 43 10.410 -8.881 -3.638
344 HB3 GLU 43 HB1 GLU 43 12.031 -8.347 -3.227
345 HG2 GLU 43 HG2 GLU 43 11.797 -9.360 -1.014
346 HG3 GLU 43 HG1 GLU 43 10.179 -9.909 -1.449
347 H LYS 44 HN LYS 44 9.713 -8.240 -0.022
348 HA LYS 44 HA LYS 44 7.022 -8.798 -0.741
349 HB2 LYS 44 HB2 LYS 44 8.367 -8.722 1.958
350 HB3 LYS 44 HB1 LYS 44 6.727 -9.296 1.686
351 HG2 LYS 44 HG2 LYS 44 7.722 -10.965 0.067
352 HG3 LYS 44 HG1 LYS 44 9.299 -10.498 0.712
353 HD2 LYS 44 HD2 LYS 44 8.528 -12.448 1.891
354 HD3 LYS 44 HD1 LYS 44 8.476 -11.058 2.982
355 HE2 LYS 44 HE2 LYS 44 6.065 -10.809 2.490
356 HE3 LYS 44 HE1 LYS 44 6.146 -12.254 1.483
357 HZ1 LYS 44 HZ1 LYS 44 6.830 -13.512 3.457
358 HZ2 LYS 44 HZ2 LYS 44 5.302 -12.804 3.644
359 HZ3 LYS 44 HZ3 LYS 44 6.651 -12.115 4.407
360 H LYS 45 HN LYS 45 8.569 -6.130 0.988
361 HA LYS 45 HA LYS 45 6.135 -4.983 1.890
362 HB2 LYS 45 HB2 LYS 45 8.909 -3.861 1.586
363 HB3 LYS 45 HB1 LYS 45 7.558 -2.886 2.150
364 HG2 LYS 45 HG2 LYS 45 8.755 -5.308 3.454
365 HG3 LYS 45 HG1 LYS 45 8.665 -3.661 4.084
366 HD2 LYS 45 HD2 LYS 45 6.226 -3.839 4.159
367 HD3 LYS 45 HD1 LYS 45 6.341 -5.477 3.535
368 HE2 LYS 45 HE2 LYS 45 7.593 -6.141 5.527
369 HE3 LYS 45 HE1 LYS 45 7.444 -4.504 6.163
370 HZ1 LYS 45 HZ1 LYS 45 5.102 -4.745 6.330
371 HZ2 LYS 45 HZ2 LYS 45 5.781 -6.133 7.033
372 HZ3 LYS 45 HZ3 LYS 45 5.112 -6.210 5.473
373 H PHE 46 HN PHE 46 8.089 -4.595 -0.996
374 HA PHE 46 HA PHE 46 6.633 -2.478 -2.154
375 HB2 PHE 46 HB2 PHE 46 8.822 -3.294 -3.005
376 HB3 PHE 46 HB1 PHE 46 8.028 -4.763 -3.572
377 HD1 PHE 46 HD1 PHE 46 8.297 -1.126 -4.043
378 HD2 PHE 46 HD2 PHE 46 6.775 -4.787 -5.586
379 HE1 PHE 46 HE1 PHE 46 7.766 -0.006 -6.166
380 HE2 PHE 46 HE2 PHE 46 6.240 -3.673 -7.712
381 HZ PHE 46 HZ PHE 46 6.734 -1.281 -8.003
382 H LYS 47 HN LYS 47 6.185 -5.970 -2.181
383 HA LYS 47 HA LYS 47 3.971 -6.039 -3.931
384 HB2 LYS 47 HB2 LYS 47 5.366 -8.005 -3.275
385 HB3 LYS 47 HB1 LYS 47 4.630 -7.948 -1.680
386 HG2 LYS 47 HG2 LYS 47 2.452 -8.409 -2.637
387 HG3 LYS 47 HG1 LYS 47 3.146 -8.399 -4.261
388 HD2 LYS 47 HD2 LYS 47 4.625 -10.283 -3.569
389 HD3 LYS 47 HD1 LYS 47 3.758 -10.337 -2.031
390 HE2 LYS 47 HE2 LYS 47 1.702 -10.887 -3.142
391 HE3 LYS 47 HE1 LYS 47 2.441 -10.647 -4.725
392 HZ1 LYS 47 HZ1 LYS 47 3.068 -12.789 -2.770
393 HZ2 LYS 47 HZ2 LYS 47 3.966 -12.500 -4.170
394 HZ3 LYS 47 HZ3 LYS 47 2.344 -12.973 -4.292
395 H GLU 48 HN GLU 48 4.232 -5.802 -0.401
396 HA GLU 48 HA GLU 48 1.456 -5.926 0.108
397 HB2 GLU 48 HB2 GLU 48 3.692 -4.791 1.794
398 HB3 GLU 48 HB1 GLU 48 2.037 -4.999 2.353
399 HG2 GLU 48 HG2 GLU 48 2.306 -7.451 1.755
400 HG3 GLU 48 HG1 GLU 48 4.029 -7.115 1.606
401 H VAL 49 HN VAL 49 3.647 -3.132 -0.324
402 HA VAL 49 HA VAL 49 1.636 -1.218 0.231
403 HB VAL 49 HB VAL 49 3.937 -0.510 0.327
404 HG11 VAL 49 HG11 VAL 49 5.302 -0.211 -1.683
405 HG12 VAL 49 HG12 VAL 49 4.054 -1.038 -2.605
406 HG13 VAL 49 HG13 VAL 49 4.931 -1.902 -1.353
407 HG21 VAL 49 HG21 VAL 49 3.812 1.576 -0.858
408 HG22 VAL 49 HG22 VAL 49 2.209 1.165 -0.251
409 HG23 VAL 49 HG23 VAL 49 2.597 0.918 -1.951
410 H ALA 50 HN ALA 50 2.602 -2.852 -2.737
411 HA ALA 50 HA ALA 50 1.200 -1.218 -4.544
412 HB1 ALA 50 HB1 ALA 50 1.759 -4.168 -4.801
413 HB2 ALA 50 HB2 ALA 50 2.900 -2.883 -5.186
414 HB3 ALA 50 HB3 ALA 50 1.407 -3.041 -6.111
415 H GLU 51 HN GLU 51 0.190 -4.181 -2.844
416 HA GLU 51 HA GLU 51 -2.411 -4.206 -4.028
417 HB2 GLU 51 HB2 GLU 51 -2.943 -5.913 -2.327
418 HB3 GLU 51 HB1 GLU 51 -1.433 -6.259 -3.159
419 HG2 GLU 51 HG2 GLU 51 -0.190 -5.356 -1.246
420 HG3 GLU 51 HG1 GLU 51 -1.712 -5.055 -0.413
421 H ALA 52 HN ALA 52 -1.030 -2.886 -1.105
422 HA ALA 52 HA ALA 52 -3.530 -2.327 0.148
423 HB1 ALA 52 HB1 ALA 52 -1.369 -2.803 1.303
424 HB2 ALA 52 HB2 ALA 52 -2.246 -1.388 1.900
425 HB3 ALA 52 HB3 ALA 52 -0.845 -1.179 0.848
426 H TYR 53 HN TYR 53 -1.190 -0.392 -1.691
427 HA TYR 53 HA TYR 53 -2.597 2.048 -1.240
428 HB2 TYR 53 HB2 TYR 53 -0.894 3.061 -2.337
429 HB3 TYR 53 HB1 TYR 53 -0.102 1.501 -2.167
430 HD1 TYR 53 HD2 TYR 53 -1.810 3.774 -4.498
431 HD2 TYR 53 HD1 TYR 53 0.258 0.081 -4.091
432 HE1 TYR 53 HE2 TYR 53 -1.581 3.639 -6.939
433 HE2 TYR 53 HE1 TYR 53 0.497 -0.061 -6.534
434 HH TYR 53 HH TYR 53 -0.578 0.795 -8.541
435 H GLU 54 HN GLU 54 -2.679 -0.469 -3.684
436 HA GLU 54 HA GLU 54 -4.277 0.850 -5.579
437 HB2 GLU 54 HB2 GLU 54 -3.081 -1.319 -5.936
438 HB3 GLU 54 HB1 GLU 54 -4.303 -2.106 -4.947
439 HG2 GLU 54 HG2 GLU 54 -5.998 -1.140 -6.600
440 HG3 GLU 54 HG1 GLU 54 -4.607 -0.835 -7.640
441 H VAL 55 HN VAL 55 -5.178 -1.233 -2.832
442 HA VAL 55 HA VAL 55 -7.953 -1.104 -3.364
443 HB VAL 55 HB VAL 55 -6.988 -2.895 -1.987
444 HG11 VAL 55 HG11 VAL 55 -6.421 -2.515 0.353
445 HG12 VAL 55 HG12 VAL 55 -6.639 -0.778 0.123
446 HG13 VAL 55 HG13 VAL 55 -5.348 -1.628 -0.731
447 HG21 VAL 55 HG21 VAL 55 -8.730 -2.937 -0.245
448 HG22 VAL 55 HG22 VAL 55 -9.356 -2.482 -1.829
449 HG23 VAL 55 HG23 VAL 55 -9.092 -1.247 -0.599
450 H LEU 56 HN LEU 56 -5.821 0.876 -1.352
451 HA LEU 56 HA LEU 56 -7.948 2.386 -0.198
452 HB2 LEU 56 HB2 LEU 56 -5.848 2.217 0.960
453 HB3 LEU 56 HB1 LEU 56 -4.986 2.898 -0.403
454 HG LEU 56 HG LEU 56 -6.065 5.066 -0.015
455 HD11 LEU 56 HD11 LEU 56 -7.384 5.471 1.982
456 HD12 LEU 56 HD12 LEU 56 -7.298 3.760 2.402
457 HD13 LEU 56 HD13 LEU 56 -8.164 4.271 0.952
458 HD21 LEU 56 HD21 LEU 56 -3.933 4.613 1.033
459 HD22 LEU 56 HD22 LEU 56 -4.755 3.903 2.418
460 HD23 LEU 56 HD23 LEU 56 -4.936 5.621 2.078
461 H SER 57 HN SER 57 -6.155 2.629 -3.159
462 HA SER 57 HA SER 57 -6.757 5.406 -3.585
463 HB2 SER 57 HB2 SER 57 -4.719 4.250 -4.489
464 HB3 SER 57 HB1 SER 57 -5.767 3.354 -5.584
465 HG SER 57 HG SER 57 -6.229 5.187 -6.674
466 H ASP 58 HN ASP 58 -8.365 2.422 -4.103
467 HA ASP 58 HA ASP 58 -10.298 3.737 -5.904
468 HB2 ASP 58 HB2 ASP 58 -9.724 0.791 -5.529
469 HB3 ASP 58 HB1 ASP 58 -11.056 1.422 -6.484
470 H LYS 59 HN LYS 59 -12.152 4.282 -5.003
471 HA LYS 59 HA LYS 59 -12.933 3.470 -2.394
472 HB2 LYS 59 HB2 LYS 59 -14.568 4.792 -4.575
473 HB3 LYS 59 HB1 LYS 59 -15.113 4.556 -2.921
474 HG2 LYS 59 HG2 LYS 59 -14.396 6.715 -2.823
475 HG3 LYS 59 HG1 LYS 59 -12.927 5.869 -2.335
476 HD2 LYS 59 HD2 LYS 59 -12.200 7.438 -3.914
477 HD3 LYS 59 HD1 LYS 59 -12.298 5.920 -4.810
478 HE2 LYS 59 HE2 LYS 59 -14.413 6.556 -5.756
479 HE3 LYS 59 HE1 LYS 59 -14.462 8.013 -4.765
480 HZ1 LYS 59 HZ1 LYS 59 -12.431 8.759 -5.920
481 HZ2 LYS 59 HZ2 LYS 59 -13.759 8.583 -6.960
482 HZ3 LYS 59 HZ3 LYS 59 -12.533 7.408 -6.943
483 H HIS 60 HN HIS 60 -13.657 2.469 -5.635
484 HA HIS 60 HA HIS 60 -15.706 0.607 -4.952
485 HB2 HIS 60 HB2 HIS 60 -13.927 0.808 -7.382
486 HB3 HIS 60 HB1 HIS 60 -15.215 -0.381 -7.218
487 HD1 HIS 60 HD1 HIS 60 -17.588 1.073 -6.335
488 HD2 HIS 60 HD2 HIS 60 -14.826 2.832 -8.911
489 HE1 HIS 60 HE1 HIS 60 -18.833 2.913 -7.522
490 HE2 HIS 60 HE2 HIS 60 -17.109 4.052 -8.973
491 H LYS 61 HN LYS 61 -12.209 0.405 -5.096
492 HA LYS 61 HA LYS 61 -12.070 -2.443 -4.876
493 HB2 LYS 61 HB2 LYS 61 -10.252 -0.732 -5.627
494 HB3 LYS 61 HB1 LYS 61 -9.933 -0.573 -3.909
495 HG2 LYS 61 HG2 LYS 61 -8.388 -2.134 -4.858
496 HG3 LYS 61 HG1 LYS 61 -9.499 -2.995 -3.797
497 HD2 LYS 61 HD2 LYS 61 -9.068 -4.196 -5.913
498 HD3 LYS 61 HD1 LYS 61 -10.770 -3.784 -5.691
499 HE2 LYS 61 HE2 LYS 61 -10.114 -3.351 -7.978
500 HE3 LYS 61 HE1 LYS 61 -10.475 -1.840 -7.151
501 HZ1 LYS 61 HZ1 LYS 61 -8.395 -1.987 -8.624
502 HZ2 LYS 61 HZ2 LYS 61 -7.686 -2.811 -7.322
503 HZ3 LYS 61 HZ3 LYS 61 -8.262 -1.224 -7.120
504 H ARG 62 HN ARG 62 -11.930 0.259 -2.614
505 HA ARG 62 HA ARG 62 -11.545 -1.213 -0.262
506 HB2 ARG 62 HB2 ARG 62 -12.690 1.480 -0.874
507 HB3 ARG 62 HB1 ARG 62 -12.815 0.833 0.757
508 HG2 ARG 62 HG2 ARG 62 -10.398 0.633 0.883
509 HG3 ARG 62 HG1 ARG 62 -10.250 1.230 -0.772
510 HD2 ARG 62 HD2 ARG 62 -9.863 2.931 1.050
511 HD3 ARG 62 HD1 ARG 62 -11.062 3.368 -0.170
512 HE ARG 62 HE ARG 62 -11.815 2.257 2.455
513 HH11 ARG 62 HH11 ARG 62 -12.098 4.699 -0.035
514 HH12 ARG 62 HH12 ARG 62 -13.570 5.368 0.618
515 HH21 ARG 62 HH21 ARG 62 -13.709 3.141 3.334
516 HH22 ARG 62 HH22 ARG 62 -14.471 4.496 2.550
517 H GLU 63 HN GLU 63 -14.554 -0.257 -1.921
518 HA GLU 63 HA GLU 63 -16.236 -1.299 0.110
519 HB2 GLU 63 HB2 GLU 63 -18.063 -0.997 -1.381
520 HB3 GLU 63 HB1 GLU 63 -16.961 0.345 -1.645
521 HG2 GLU 63 HG2 GLU 63 -16.160 -0.623 -3.667
522 HG3 GLU 63 HG1 GLU 63 -17.047 -2.115 -3.362
523 H ILE 64 HN ILE 64 -14.747 -2.711 -2.754
524 HA ILE 64 HA ILE 64 -16.082 -5.199 -2.641
525 HB ILE 64 HB ILE 64 -13.378 -4.435 -3.752
526 HG12 ILE 64 HG12 ILE 64 -15.286 -3.521 -4.955
527 HG13 ILE 64 HG11 ILE 64 -14.521 -4.779 -5.918
528 HG21 ILE 64 HG21 ILE 64 -14.768 -7.110 -3.927
529 HG22 ILE 64 HG22 ILE 64 -13.239 -6.767 -3.114
530 HG23 ILE 64 HG23 ILE 64 -13.354 -6.636 -4.871
531 HD11 ILE 64 HD11 ILE 64 -16.935 -4.926 -6.057
532 HD12 ILE 64 HD12 ILE 64 -17.045 -5.074 -4.303
533 HD13 ILE 64 HD13 ILE 64 -16.275 -6.349 -5.248
534 H TYR 65 HN TYR 65 -13.048 -4.056 -1.214
535 HA TYR 65 HA TYR 65 -12.334 -6.366 0.193
536 HB2 TYR 65 HB2 TYR 65 -10.902 -4.370 -0.111
537 HB3 TYR 65 HB1 TYR 65 -11.933 -3.468 0.987
538 HD1 TYR 65 HD2 TYR 65 -12.013 -4.159 3.419
539 HD2 TYR 65 HD1 TYR 65 -9.160 -5.735 0.687
540 HE1 TYR 65 HE2 TYR 65 -10.607 -4.863 5.306
541 HE2 TYR 65 HE1 TYR 65 -7.743 -6.445 2.567
542 HH TYR 65 HH TYR 65 -8.775 -6.756 5.630
543 H ASP 66 HN ASP 66 -14.583 -3.791 0.910
544 HA ASP 66 HA ASP 66 -15.043 -4.457 3.638
545 HB2 ASP 66 HB2 ASP 66 -15.415 -2.214 2.752
546 HB3 ASP 66 HB1 ASP 66 -16.656 -2.825 1.672
547 H ARG 67 HN ARG 67 -16.912 -5.042 0.652
548 HA ARG 67 HA ARG 67 -18.899 -6.504 2.173
549 HB2 ARG 67 HB2 ARG 67 -20.141 -6.604 0.101
550 HB3 ARG 67 HB1 ARG 67 -19.568 -4.970 0.390
551 HG2 ARG 67 HG2 ARG 67 -17.574 -5.733 -1.131
552 HG3 ARG 67 HG1 ARG 67 -18.746 -6.928 -1.693
553 HD2 ARG 67 HD2 ARG 67 -19.085 -3.944 -1.665
554 HD3 ARG 67 HD1 ARG 67 -18.815 -4.948 -3.092
555 HE ARG 67 HE ARG 67 -21.047 -6.028 -2.036
556 HH11 ARG 67 HH11 ARG 67 -20.178 -2.725 -2.879
557 HH12 ARG 67 HH12 ARG 67 -21.815 -2.243 -3.163
558 HH21 ARG 67 HH21 ARG 67 -23.198 -5.369 -2.383
559 HH22 ARG 67 HH22 ARG 67 -23.536 -3.740 -2.897
560 H TYR 68 HN TYR 68 -16.319 -7.285 -0.115
561 HA TYR 68 HA TYR 68 -17.289 -10.041 -0.251
562 HB2 TYR 68 HB2 TYR 68 -16.615 -8.716 -2.328
563 HB3 TYR 68 HB1 TYR 68 -14.953 -8.887 -1.777
564 HD1 TYR 68 HD1 TYR 68 -17.959 -10.871 -2.699
565 HD2 TYR 68 HD2 TYR 68 -13.724 -10.803 -2.325
566 HE1 TYR 68 HE1 TYR 68 -17.832 -13.061 -3.809
567 HE2 TYR 68 HE2 TYR 68 -13.585 -12.989 -3.433
568 HH TYR 68 HH TYR 68 -15.065 -14.965 -3.772
569 H GLY 69 HN GLY 69 -15.110 -8.184 1.498
570 HA2 GLY 69 HA2 GLY 69 -12.999 -9.985 1.970
571 HA3 GLY 69 HA1 GLY 69 -13.553 -8.738 3.081
572 H ARG 70 HN ARG 70 -15.999 -9.441 3.689
573 HA ARG 70 HA ARG 70 -15.731 -11.457 5.625
574 HB2 ARG 70 HB2 ARG 70 -18.267 -10.272 4.476
575 HB3 ARG 70 HB1 ARG 70 -18.151 -11.189 5.971
576 HG2 ARG 70 HG2 ARG 70 -16.796 -8.551 5.438
577 HG3 ARG 70 HG1 ARG 70 -18.281 -8.776 6.366
578 HD2 ARG 70 HD2 ARG 70 -17.077 -10.151 7.978
579 HD3 ARG 70 HD1 ARG 70 -15.597 -9.977 7.038
580 HE ARG 70 HE ARG 70 -16.409 -7.406 7.614
581 HH11 ARG 70 HH11 ARG 70 -15.588 -10.274 9.435
582 HH12 ARG 70 HH12 ARG 70 -14.964 -9.402 10.801
583 HH21 ARG 70 HH21 ARG 70 -15.569 -6.220 9.418
584 HH22 ARG 70 HH22 ARG 70 -14.947 -7.098 10.789
585 H GLU 71 HN GLU 71 -16.651 -11.590 2.302
586 HA GLU 71 HA GLU 71 -18.177 -13.998 2.419
587 HB2 GLU 71 HB2 GLU 71 -16.809 -12.792 0.011
588 HB3 GLU 71 HB1 GLU 71 -18.153 -13.925 0.008
589 HG2 GLU 71 HG2 GLU 71 -18.208 -11.075 0.975
590 HG3 GLU 71 HG1 GLU 71 -18.938 -11.703 -0.502
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -9.493 3.440 14.647
2 H2 MET 1 HT2 MET 1 -9.491 4.415 13.261
3 H3 MET 1 HT3 MET 1 -8.447 3.083 13.356
4 HA MET 1 HA MET 1 -10.369 1.599 13.445
5 HB2 MET 1 HB2 MET 1 -11.833 4.198 12.997
6 HB3 MET 1 HB1 MET 1 -12.545 2.629 12.650
7 HG2 MET 1 HG2 MET 1 -11.533 3.505 15.345
8 HG3 MET 1 HG1 MET 1 -13.219 3.552 14.831
9 HE1 MET 1 HE1 MET 1 -13.576 0.927 13.162
10 HE2 MET 1 HE2 MET 1 -14.717 1.437 14.408
11 HE3 MET 1 HE3 MET 1 -14.096 -0.215 14.401
12 H ALA 2 HN ALA 2 -9.755 4.397 11.342
13 HA ALA 2 HA ALA 2 -10.539 3.134 8.942
14 HB1 ALA 2 HB1 ALA 2 -10.297 5.573 9.185
15 HB2 ALA 2 HB2 ALA 2 -9.421 4.940 7.792
16 HB3 ALA 2 HB3 ALA 2 -8.547 5.374 9.261
17 H SER 3 HN SER 3 -7.349 3.557 10.421
18 HA SER 3 HA SER 3 -5.500 2.268 10.442
19 HB2 SER 3 HB2 SER 3 -7.129 0.419 10.769
20 HB3 SER 3 HB1 SER 3 -7.168 0.180 9.024
21 HG SER 3 HG SER 3 -5.640 -1.208 9.599
22 H TYR 4 HN TYR 4 -6.952 3.150 7.489
23 HA TYR 4 HA TYR 4 -5.192 1.969 5.655
24 HB2 TYR 4 HB2 TYR 4 -6.680 2.883 4.264
25 HB3 TYR 4 HB1 TYR 4 -7.360 3.794 5.598
26 HD1 TYR 4 HD1 TYR 4 -4.611 3.973 3.067
27 HD2 TYR 4 HD2 TYR 4 -7.347 6.100 5.538
28 HE1 TYR 4 HE1 TYR 4 -3.956 6.078 1.980
29 HE2 TYR 4 HE2 TYR 4 -6.694 8.205 4.458
30 HH TYR 4 HH TYR 4 -4.744 8.276 1.615
31 H TYR 5 HN TYR 5 -4.985 5.036 7.381
32 HA TYR 5 HA TYR 5 -2.611 5.935 6.207
33 HB2 TYR 5 HB2 TYR 5 -2.294 7.065 8.544
34 HB3 TYR 5 HB1 TYR 5 -3.604 7.569 7.485
35 HD1 TYR 5 HD1 TYR 5 -2.780 5.636 10.521
36 HD2 TYR 5 HD2 TYR 5 -5.876 7.250 8.096
37 HE1 TYR 5 HE1 TYR 5 -4.407 5.183 12.305
38 HE2 TYR 5 HE2 TYR 5 -7.511 6.799 9.869
39 HH TYR 5 HH TYR 5 -6.589 5.944 13.043
40 H GLU 6 HN GLU 6 -3.157 3.556 8.711
41 HA GLU 6 HA GLU 6 -0.420 3.300 9.470
42 HB2 GLU 6 HB2 GLU 6 -2.782 1.458 9.822
43 HB3 GLU 6 HB1 GLU 6 -1.195 1.166 10.519
44 HG2 GLU 6 HG2 GLU 6 -2.818 3.625 11.061
45 HG3 GLU 6 HG1 GLU 6 -2.878 2.173 12.064
46 H ILE 7 HN ILE 7 -2.589 1.532 7.288
47 HA ILE 7 HA ILE 7 -0.665 -0.459 6.647
48 HB ILE 7 HB ILE 7 -2.234 -1.236 4.947
49 HG12 ILE 7 HG12 ILE 7 -4.565 0.047 5.105
50 HG13 ILE 7 HG11 ILE 7 -3.511 1.419 5.415
51 HG21 ILE 7 HG21 ILE 7 -3.980 -1.904 6.406
52 HG22 ILE 7 HG22 ILE 7 -3.759 -0.481 7.423
53 HG23 ILE 7 HG23 ILE 7 -2.523 -1.743 7.388
54 HD11 ILE 7 HD11 ILE 7 -2.365 0.999 3.294
55 HD12 ILE 7 HD12 ILE 7 -4.093 1.282 3.077
56 HD13 ILE 7 HD13 ILE 7 -3.451 -0.358 2.991
57 H LEU 8 HN LEU 8 -1.477 2.648 5.257
58 HA LEU 8 HA LEU 8 0.274 2.068 2.986
59 HB2 LEU 8 HB2 LEU 8 -1.900 3.006 2.438
60 HB3 LEU 8 HB1 LEU 8 -1.593 4.386 3.475
61 HG LEU 8 HG LEU 8 0.266 5.064 1.987
62 HD11 LEU 8 HD11 LEU 8 0.469 4.016 -0.219
63 HD12 LEU 8 HD12 LEU 8 -0.702 2.787 0.262
64 HD13 LEU 8 HD13 LEU 8 0.856 2.890 1.082
65 HD21 LEU 8 HD21 LEU 8 -2.398 4.689 0.627
66 HD22 LEU 8 HD22 LEU 8 -1.141 5.826 0.138
67 HD23 LEU 8 HD23 LEU 8 -1.948 6.019 1.694
68 H ASP 9 HN ASP 9 -0.253 5.208 4.515
69 HA ASP 9 HA ASP 9 2.207 5.563 5.745
70 HB2 ASP 9 HB2 ASP 9 3.092 5.120 3.435
71 HB3 ASP 9 HB1 ASP 9 2.255 6.570 2.892
72 H VAL 10 HN VAL 10 -0.385 6.923 3.866
73 HA VAL 10 HA VAL 10 -0.095 9.467 5.327
74 HB VAL 10 HB VAL 10 -1.089 10.614 3.381
75 HG11 VAL 10 HG11 VAL 10 1.314 10.589 3.629
76 HG12 VAL 10 HG12 VAL 10 0.887 10.485 1.921
77 HG13 VAL 10 HG13 VAL 10 1.412 9.042 2.788
78 HG21 VAL 10 HG21 VAL 10 -2.314 8.733 2.417
79 HG22 VAL 10 HG22 VAL 10 -0.792 7.953 1.989
80 HG23 VAL 10 HG23 VAL 10 -1.247 9.475 1.223
81 HA PRO 11 HA PRO 11 -4.381 8.915 6.401
82 HB2 PRO 11 HB2 PRO 11 -4.875 11.309 7.458
83 HB3 PRO 11 HB1 PRO 11 -3.673 10.233 8.177
84 HG2 PRO 11 HG2 PRO 11 -3.283 12.673 6.530
85 HG3 PRO 11 HG1 PRO 11 -2.287 12.031 7.846
86 HD2 PRO 11 HD2 PRO 11 -1.850 11.719 5.062
87 HD3 PRO 11 HD1 PRO 11 -0.975 10.912 6.378
88 H ARG 12 HN ARG 12 -6.500 10.191 6.302
89 HA ARG 12 HA ARG 12 -7.319 9.984 3.657
90 HB2 ARG 12 HB2 ARG 12 -9.489 10.877 4.445
91 HB3 ARG 12 HB1 ARG 12 -8.877 9.550 5.420
92 HG2 ARG 12 HG2 ARG 12 -8.321 12.361 6.246
93 HG3 ARG 12 HG1 ARG 12 -9.917 11.671 6.536
94 HD2 ARG 12 HD2 ARG 12 -9.002 9.928 7.880
95 HD3 ARG 12 HD1 ARG 12 -7.356 10.348 7.407
96 HE ARG 12 HE ARG 12 -7.473 12.262 8.791
97 HH11 ARG 12 HH11 ARG 12 -10.345 10.261 8.986
98 HH12 ARG 12 HH12 ARG 12 -10.808 10.865 10.553
99 HH21 ARG 12 HH21 ARG 12 -8.086 13.070 10.832
100 HH22 ARG 12 HH22 ARG 12 -9.539 12.479 11.587
101 H SER 13 HN SER 13 -6.182 12.766 5.320
102 HA SER 13 HA SER 13 -7.425 14.821 3.905
103 HB2 SER 13 HB2 SER 13 -5.881 14.929 5.972
104 HB3 SER 13 HB1 SER 13 -4.557 14.971 4.811
105 HG SER 13 HG SER 13 -5.084 16.957 4.247
106 H ALA 14 HN ALA 14 -4.964 12.612 2.920
107 HA ALA 14 HA ALA 14 -3.925 14.198 0.764
108 HB1 ALA 14 HB1 ALA 14 -3.600 11.309 1.533
109 HB2 ALA 14 HB2 ALA 14 -2.452 12.627 1.769
110 HB3 ALA 14 HB3 ALA 14 -2.801 12.043 0.145
111 H SER 15 HN SER 15 -4.368 14.078 -1.371
112 HA SER 15 HA SER 15 -6.797 12.807 -2.265
113 HB2 SER 15 HB2 SER 15 -6.134 14.970 -3.195
114 HB3 SER 15 HB1 SER 15 -4.615 14.287 -3.767
115 HG SER 15 HG SER 15 -5.624 13.696 -5.501
116 H ALA 16 HN ALA 16 -6.732 11.387 -4.252
117 HA ALA 16 HA ALA 16 -5.496 8.985 -3.661
118 HB1 ALA 16 HB1 ALA 16 -6.117 8.244 -5.881
119 HB2 ALA 16 HB2 ALA 16 -6.346 9.913 -6.390
120 HB3 ALA 16 HB3 ALA 16 -7.411 9.214 -5.175
121 H ASP 17 HN ASP 17 -4.321 11.631 -5.620
122 HA ASP 17 HA ASP 17 -2.121 10.387 -6.836
123 HB2 ASP 17 HB2 ASP 17 -2.114 13.244 -5.938
124 HB3 ASP 17 HB1 ASP 17 -1.372 12.550 -7.371
125 H ASP 18 HN ASP 18 -2.450 12.062 -3.743
126 HA ASP 18 HA ASP 18 0.301 11.907 -3.037
127 HB2 ASP 18 HB2 ASP 18 -1.462 13.491 -2.062
128 HB3 ASP 18 HB1 ASP 18 -1.981 12.124 -1.076
129 H ILE 19 HN ILE 19 -2.541 9.934 -2.383
130 HA ILE 19 HA ILE 19 -1.369 7.971 -0.772
131 HB ILE 19 HB ILE 19 -3.667 7.973 -2.679
132 HG12 ILE 19 HG12 ILE 19 -4.758 7.094 -0.499
133 HG13 ILE 19 HG11 ILE 19 -3.273 7.646 0.268
134 HG21 ILE 19 HG21 ILE 19 -2.614 5.793 -3.060
135 HG22 ILE 19 HG22 ILE 19 -4.177 5.644 -2.260
136 HG23 ILE 19 HG23 ILE 19 -2.691 5.463 -1.329
137 HD11 ILE 19 HD11 ILE 19 -5.408 9.222 -1.076
138 HD12 ILE 19 HD12 ILE 19 -3.768 9.848 -0.987
139 HD13 ILE 19 HD13 ILE 19 -4.645 9.467 0.498
140 H LYS 20 HN LYS 20 -1.527 8.261 -4.295
141 HA LYS 20 HA LYS 20 -0.137 5.879 -4.879
142 HB2 LYS 20 HB2 LYS 20 -1.519 7.231 -6.489
143 HB3 LYS 20 HB1 LYS 20 -0.205 8.397 -6.549
144 HG2 LYS 20 HG2 LYS 20 1.280 6.725 -7.475
145 HG3 LYS 20 HG1 LYS 20 0.017 5.499 -7.343
146 HD2 LYS 20 HD2 LYS 20 -0.148 8.002 -9.027
147 HD3 LYS 20 HD1 LYS 20 0.226 6.389 -9.634
148 HE2 LYS 20 HE2 LYS 20 -2.326 7.155 -8.218
149 HE3 LYS 20 HE1 LYS 20 -2.143 7.036 -9.968
150 HZ1 LYS 20 HZ1 LYS 20 -3.116 5.046 -8.787
151 HZ2 LYS 20 HZ2 LYS 20 -1.568 4.758 -8.170
152 HZ3 LYS 20 HZ3 LYS 20 -1.830 4.731 -9.837
153 H LYS 21 HN LYS 21 0.944 9.212 -4.295
154 HA LYS 21 HA LYS 21 3.698 8.626 -4.761
155 HB2 LYS 21 HB2 LYS 21 2.970 10.915 -4.894
156 HB3 LYS 21 HB1 LYS 21 2.401 10.883 -3.231
157 HG2 LYS 21 HG2 LYS 21 4.582 12.067 -3.609
158 HG3 LYS 21 HG1 LYS 21 4.606 10.808 -2.373
159 HD2 LYS 21 HD2 LYS 21 6.589 10.527 -3.641
160 HD3 LYS 21 HD1 LYS 21 5.493 9.247 -4.156
161 HE2 LYS 21 HE2 LYS 21 6.322 10.005 -6.163
162 HE3 LYS 21 HE1 LYS 21 4.827 10.932 -6.019
163 HZ1 LYS 21 HZ1 LYS 21 7.527 11.918 -5.266
164 HZ2 LYS 21 HZ2 LYS 21 6.088 12.811 -5.203
165 HZ3 LYS 21 HZ3 LYS 21 6.713 12.309 -6.701
166 H ALA 22 HN ALA 22 1.657 8.481 -1.870
167 HA ALA 22 HA ALA 22 3.675 8.081 0.029
168 HB1 ALA 22 HB1 ALA 22 1.955 7.016 1.393
169 HB2 ALA 22 HB2 ALA 22 0.902 6.901 -0.017
170 HB3 ALA 22 HB3 ALA 22 1.345 8.483 0.626
171 H TYR 23 HN TYR 23 1.953 5.759 -1.997
172 HA TYR 23 HA TYR 23 3.346 3.459 -1.157
173 HB2 TYR 23 HB2 TYR 23 1.580 2.735 -2.347
174 HB3 TYR 23 HB1 TYR 23 1.493 4.216 -3.292
175 HD1 TYR 23 HD2 TYR 23 3.017 0.854 -3.103
176 HD2 TYR 23 HD1 TYR 23 2.438 4.336 -5.481
177 HE1 TYR 23 HE2 TYR 23 3.816 -0.368 -5.084
178 HE2 TYR 23 HE1 TYR 23 3.228 3.123 -7.464
179 HH TYR 23 HH TYR 23 3.522 -0.218 -7.587
180 H ARG 24 HN ARG 24 3.995 5.853 -3.658
181 HA ARG 24 HA ARG 24 6.164 4.543 -4.880
182 HB2 ARG 24 HB2 ARG 24 4.817 7.144 -4.943
183 HB3 ARG 24 HB1 ARG 24 6.511 7.225 -5.355
184 HG2 ARG 24 HG2 ARG 24 6.156 5.532 -7.094
185 HG3 ARG 24 HG1 ARG 24 4.442 5.493 -6.672
186 HD2 ARG 24 HD2 ARG 24 5.939 7.929 -7.561
187 HD3 ARG 24 HD1 ARG 24 4.932 6.936 -8.619
188 HE ARG 24 HE ARG 24 3.700 8.075 -6.232
189 HH11 ARG 24 HH11 ARG 24 4.047 8.070 -9.705
190 HH12 ARG 24 HH12 ARG 24 2.713 9.153 -9.980
191 HH21 ARG 24 HH21 ARG 24 1.931 9.490 -6.575
192 HH22 ARG 24 HH22 ARG 24 1.490 9.941 -8.193
193 H ARG 25 HN ARG 25 6.022 7.109 -2.414
194 HA ARG 25 HA ARG 25 8.811 7.367 -2.111
195 HB2 ARG 25 HB2 ARG 25 8.375 8.622 -0.117
196 HB3 ARG 25 HB1 ARG 25 7.124 9.027 -1.279
197 HG2 ARG 25 HG2 ARG 25 5.561 7.554 -0.134
198 HG3 ARG 25 HG1 ARG 25 6.818 7.104 1.018
199 HD2 ARG 25 HD2 ARG 25 5.640 9.854 0.623
200 HD3 ARG 25 HD1 ARG 25 5.346 8.774 1.983
201 HE ARG 25 HE ARG 25 7.937 10.065 1.387
202 HH11 ARG 25 HH11 ARG 25 5.622 8.727 3.662
203 HH12 ARG 25 HH12 ARG 25 6.577 9.142 5.057
204 HH21 ARG 25 HH21 ARG 25 9.174 10.623 3.240
205 HH22 ARG 25 HH22 ARG 25 8.572 10.218 4.824
206 H LYS 26 HN LYS 26 6.474 5.185 -0.681
207 HA LYS 26 HA LYS 26 8.255 4.072 1.243
208 HB2 LYS 26 HB2 LYS 26 5.845 3.879 1.497
209 HB3 LYS 26 HB1 LYS 26 5.735 2.959 0.002
210 HG2 LYS 26 HG2 LYS 26 6.778 1.084 0.955
211 HG3 LYS 26 HG1 LYS 26 7.352 2.009 2.346
212 HD2 LYS 26 HD2 LYS 26 4.436 1.942 1.874
213 HD3 LYS 26 HD1 LYS 26 5.187 0.448 2.440
214 HE2 LYS 26 HE2 LYS 26 4.340 1.870 4.284
215 HE3 LYS 26 HE1 LYS 26 6.070 1.564 4.382
216 HZ1 LYS 26 HZ1 LYS 26 6.429 3.770 3.366
217 HZ2 LYS 26 HZ2 LYS 26 5.658 3.849 4.867
218 HZ3 LYS 26 HZ3 LYS 26 4.762 4.059 3.449
219 H ALA 27 HN ALA 27 7.292 3.195 -2.035
220 HA ALA 27 HA ALA 27 8.850 0.934 -2.419
221 HB1 ALA 27 HB1 ALA 27 8.553 3.089 -4.497
222 HB2 ALA 27 HB2 ALA 27 7.232 2.021 -4.040
223 HB3 ALA 27 HB3 ALA 27 8.705 1.348 -4.740
224 H LEU 28 HN LEU 28 9.780 4.330 -2.499
225 HA LEU 28 HA LEU 28 12.490 3.923 -3.223
226 HB2 LEU 28 HB2 LEU 28 10.887 6.150 -2.148
227 HB3 LEU 28 HB1 LEU 28 12.609 6.227 -1.826
228 HG LEU 28 HG LEU 28 12.999 6.004 -4.295
229 HD11 LEU 28 HD11 LEU 28 10.095 6.667 -4.616
230 HD12 LEU 28 HD12 LEU 28 10.674 5.005 -4.639
231 HD13 LEU 28 HD13 LEU 28 11.262 6.157 -5.841
232 HD21 LEU 28 HD21 LEU 28 13.068 8.169 -3.174
233 HD22 LEU 28 HD22 LEU 28 11.328 8.350 -3.403
234 HD23 LEU 28 HD23 LEU 28 12.404 8.313 -4.800
235 H GLN 29 HN GLN 29 10.828 3.951 -0.116
236 HA GLN 29 HA GLN 29 13.102 3.954 1.547
237 HB2 GLN 29 HB2 GLN 29 10.427 2.626 2.035
238 HB3 GLN 29 HB1 GLN 29 11.632 2.977 3.264
239 HG2 GLN 29 HG2 GLN 29 11.351 5.361 2.877
240 HG3 GLN 29 HG1 GLN 29 10.167 5.023 1.612
241 HE21 GLN 29 HE21 GLN 29 10.792 5.034 5.030
242 HE22 GLN 29 HE22 GLN 29 9.141 4.858 5.534
243 H TRP 30 HN TRP 30 11.462 1.422 -0.215
244 HA TRP 30 HA TRP 30 13.312 -0.577 0.885
245 HB2 TRP 30 HB2 TRP 30 10.774 -1.070 -0.686
246 HB3 TRP 30 HB1 TRP 30 11.725 -2.261 0.195
247 HD1 TRP 30 HD1 TRP 30 8.629 -0.498 0.557
248 HE1 TRP 30 HE1 TRP 30 7.915 -0.260 3.018
249 HE3 TRP 30 HE3 TRP 30 13.084 -1.621 2.815
250 HZ2 TRP 30 HZ2 TRP 30 9.080 -0.504 5.567
251 HZ3 TRP 30 HZ3 TRP 30 13.196 -1.588 5.272
252 HH2 TRP 30 HH2 TRP 30 11.234 -1.040 6.618
253 H HIS 31 HN HIS 31 13.696 1.467 -1.319
254 HA HIS 31 HA HIS 31 13.856 0.050 -3.793
255 HB2 HIS 31 HB2 HIS 31 13.980 2.703 -3.008
256 HB3 HIS 31 HB1 HIS 31 15.636 2.363 -3.488
257 HD1 HIS 31 HD1 HIS 31 16.121 2.683 -5.898
258 HD2 HIS 31 HD2 HIS 31 12.074 2.005 -5.180
259 HE1 HIS 31 HE1 HIS 31 14.974 2.948 -8.124
260 HE2 HIS 31 HE2 HIS 31 12.510 2.775 -7.613
261 HA PRO 32 HA PRO 32 17.592 -2.247 -3.443
262 HB2 PRO 32 HB2 PRO 32 18.867 -1.508 -5.809
263 HB3 PRO 32 HB1 PRO 32 17.678 -2.803 -5.642
264 HG2 PRO 32 HG2 PRO 32 17.300 0.015 -6.560
265 HG3 PRO 32 HG1 PRO 32 16.566 -1.476 -7.176
266 HD2 PRO 32 HD2 PRO 32 15.176 0.173 -5.616
267 HD3 PRO 32 HD1 PRO 32 15.033 -1.591 -5.418
268 H ASP 33 HN ASP 33 17.878 1.134 -4.318
269 HA ASP 33 HA ASP 33 20.590 1.557 -3.753
270 HB2 ASP 33 HB2 ASP 33 18.408 3.551 -3.141
271 HB3 ASP 33 HB1 ASP 33 20.055 3.873 -3.669
272 H LYS 34 HN LYS 34 17.776 1.331 -1.687
273 HA LYS 34 HA LYS 34 19.421 1.901 0.672
274 HB2 LYS 34 HB2 LYS 34 16.423 1.978 0.353
275 HB3 LYS 34 HB1 LYS 34 17.281 2.285 1.849
276 HG2 LYS 34 HG2 LYS 34 16.762 4.402 1.032
277 HG3 LYS 34 HG1 LYS 34 18.451 4.175 0.579
278 HD2 LYS 34 HD2 LYS 34 17.737 3.474 -1.661
279 HD3 LYS 34 HD1 LYS 34 16.055 3.761 -1.210
280 HE2 LYS 34 HE2 LYS 34 18.264 5.804 -1.411
281 HE3 LYS 34 HE1 LYS 34 16.867 5.642 -2.475
282 HZ1 LYS 34 HZ1 LYS 34 16.273 7.348 -1.053
283 HZ2 LYS 34 HZ2 LYS 34 16.977 6.619 0.304
284 HZ3 LYS 34 HZ3 LYS 34 15.529 6.006 -0.327
285 H ASN 35 HN ASN 35 19.021 -0.602 -0.978
286 HA ASN 35 HA ASN 35 18.053 -2.402 1.145
287 HB2 ASN 35 HB2 ASN 35 16.600 -2.491 -0.819
288 HB3 ASN 35 HB1 ASN 35 17.995 -2.742 -1.868
289 HD21 ASN 35 HD21 ASN 35 15.877 -4.155 0.473
290 HD22 ASN 35 HD22 ASN 35 16.356 -5.799 0.223
291 HA PRO 36 HA PRO 36 22.227 -3.975 0.993
292 HB2 PRO 36 HB2 PRO 36 22.045 -5.777 2.936
293 HB3 PRO 36 HB1 PRO 36 21.857 -4.055 3.295
294 HG2 PRO 36 HG2 PRO 36 19.754 -6.150 2.929
295 HG3 PRO 36 HG1 PRO 36 19.868 -4.894 4.178
296 HD2 PRO 36 HD2 PRO 36 18.324 -4.689 1.900
297 HD3 PRO 36 HD1 PRO 36 18.938 -3.300 2.822
298 H ASP 37 HN ASP 37 21.710 -7.017 2.064
299 HA ASP 37 HA ASP 37 21.959 -8.081 -0.661
300 HB2 ASP 37 HB2 ASP 37 22.543 -9.414 1.978
301 HB3 ASP 37 HB1 ASP 37 22.831 -10.121 0.396
302 H ASN 38 HN ASN 38 19.652 -7.751 1.724
303 HA ASN 38 HA ASN 38 18.205 -10.157 0.853
304 HB2 ASN 38 HB2 ASN 38 17.725 -8.370 3.252
305 HB3 ASN 38 HB1 ASN 38 16.762 -9.782 2.835
306 HD21 ASN 38 HD21 ASN 38 17.626 -11.841 3.149
307 HD22 ASN 38 HD22 ASN 38 19.047 -12.109 4.105
308 H LYS 39 HN LYS 39 17.116 -9.639 -0.939
309 HA LYS 39 HA LYS 39 15.909 -6.977 -1.133
310 HB2 LYS 39 HB2 LYS 39 16.279 -9.096 -3.252
311 HB3 LYS 39 HB1 LYS 39 15.790 -7.427 -3.514
312 HG2 LYS 39 HG2 LYS 39 17.917 -6.602 -2.919
313 HG3 LYS 39 HG1 LYS 39 18.413 -8.162 -2.262
314 HD2 LYS 39 HD2 LYS 39 18.378 -9.134 -4.474
315 HD3 LYS 39 HD1 LYS 39 17.801 -7.612 -5.162
316 HE2 LYS 39 HE2 LYS 39 20.452 -8.089 -3.801
317 HE3 LYS 39 HE1 LYS 39 20.188 -7.834 -5.527
318 HZ1 LYS 39 HZ1 LYS 39 19.717 -5.859 -3.357
319 HZ2 LYS 39 HZ2 LYS 39 19.321 -5.608 -4.985
320 HZ3 LYS 39 HZ3 LYS 39 20.941 -5.803 -4.526
321 H GLU 40 HN GLU 40 15.101 -10.256 -0.646
322 HA GLU 40 HA GLU 40 12.624 -10.470 -1.898
323 HB2 GLU 40 HB2 GLU 40 14.089 -12.253 -0.743
324 HB3 GLU 40 HB1 GLU 40 13.254 -11.792 0.730
325 HG2 GLU 40 HG2 GLU 40 11.761 -12.640 -1.727
326 HG3 GLU 40 HG1 GLU 40 12.382 -13.806 -0.563
327 H PHE 41 HN PHE 41 13.415 -9.291 1.373
328 HA PHE 41 HA PHE 41 10.714 -8.896 2.136
329 HB2 PHE 41 HB2 PHE 41 11.490 -8.011 4.117
330 HB3 PHE 41 HB1 PHE 41 12.865 -8.985 3.630
331 HD1 PHE 41 HD1 PHE 41 14.899 -7.884 2.743
332 HD2 PHE 41 HD2 PHE 41 11.627 -5.655 4.300
333 HE1 PHE 41 HE1 PHE 41 16.349 -5.909 2.966
334 HE2 PHE 41 HE2 PHE 41 13.070 -3.679 4.516
335 HZ PHE 41 HZ PHE 41 15.435 -3.804 3.848
336 H ALA 42 HN ALA 42 13.069 -6.860 0.501
337 HA ALA 42 HA ALA 42 11.617 -4.442 0.576
338 HB1 ALA 42 HB1 ALA 42 13.619 -5.460 -1.443
339 HB2 ALA 42 HB2 ALA 42 13.939 -4.395 -0.069
340 HB3 ALA 42 HB3 ALA 42 12.972 -3.821 -1.426
341 H GLU 43 HN GLU 43 11.583 -7.179 -1.671
342 HA GLU 43 HA GLU 43 9.655 -6.086 -3.459
343 HB2 GLU 43 HB2 GLU 43 10.047 -9.023 -2.906
344 HB3 GLU 43 HB1 GLU 43 9.501 -8.264 -4.396
345 HG2 GLU 43 HG2 GLU 43 11.716 -7.288 -4.704
346 HG3 GLU 43 HG1 GLU 43 12.243 -8.069 -3.209
347 H LYS 44 HN LYS 44 9.494 -8.203 -0.659
348 HA LYS 44 HA LYS 44 6.784 -8.778 -0.639
349 HB2 LYS 44 HB2 LYS 44 8.417 -9.889 0.809
350 HB3 LYS 44 HB1 LYS 44 8.666 -8.394 1.701
351 HG2 LYS 44 HG2 LYS 44 7.206 -10.040 2.851
352 HG3 LYS 44 HG1 LYS 44 6.447 -8.468 2.580
353 HD2 LYS 44 HD2 LYS 44 5.387 -9.392 0.543
354 HD3 LYS 44 HD1 LYS 44 6.053 -10.973 0.953
355 HE2 LYS 44 HE2 LYS 44 4.787 -11.079 2.973
356 HE3 LYS 44 HE1 LYS 44 4.262 -9.405 2.798
357 HZ1 LYS 44 HZ1 LYS 44 3.560 -11.580 0.897
358 HZ2 LYS 44 HZ2 LYS 44 2.957 -9.993 0.905
359 HZ3 LYS 44 HZ3 LYS 44 2.565 -11.056 2.162
360 H LYS 45 HN LYS 45 8.504 -6.061 0.875
361 HA LYS 45 HA LYS 45 6.194 -4.867 1.992
362 HB2 LYS 45 HB2 LYS 45 8.943 -3.834 1.348
363 HB3 LYS 45 HB1 LYS 45 7.691 -2.777 1.993
364 HG2 LYS 45 HG2 LYS 45 8.862 -5.222 3.297
365 HG3 LYS 45 HG1 LYS 45 9.036 -3.542 3.809
366 HD2 LYS 45 HD2 LYS 45 6.552 -3.473 4.093
367 HD3 LYS 45 HD1 LYS 45 6.539 -5.204 3.792
368 HE2 LYS 45 HE2 LYS 45 8.010 -5.536 5.721
369 HE3 LYS 45 HE1 LYS 45 7.969 -3.803 6.041
370 HZ1 LYS 45 HZ1 LYS 45 5.632 -5.632 6.048
371 HZ2 LYS 45 HZ2 LYS 45 5.569 -3.961 6.336
372 HZ3 LYS 45 HZ3 LYS 45 6.378 -4.980 7.424
373 H PHE 46 HN PHE 46 7.793 -4.597 -1.097
374 HA PHE 46 HA PHE 46 6.367 -2.358 -2.075
375 HB2 PHE 46 HB2 PHE 46 8.481 -3.185 -3.061
376 HB3 PHE 46 HB1 PHE 46 7.639 -4.627 -3.623
377 HD1 PHE 46 HD1 PHE 46 7.742 -0.940 -3.947
378 HD2 PHE 46 HD2 PHE 46 6.517 -4.632 -5.673
379 HE1 PHE 46 HE1 PHE 46 7.165 0.233 -6.031
380 HE2 PHE 46 HE2 PHE 46 5.936 -3.466 -7.760
381 HZ PHE 46 HZ PHE 46 6.261 -1.030 -7.941
382 H LYS 47 HN LYS 47 5.773 -5.840 -2.217
383 HA LYS 47 HA LYS 47 3.544 -5.728 -3.952
384 HB2 LYS 47 HB2 LYS 47 4.330 -7.799 -1.895
385 HB3 LYS 47 HB1 LYS 47 3.059 -8.017 -3.089
386 HG2 LYS 47 HG2 LYS 47 4.620 -7.921 -4.883
387 HG3 LYS 47 HG1 LYS 47 5.919 -7.428 -3.797
388 HD2 LYS 47 HD2 LYS 47 5.725 -9.601 -2.636
389 HD3 LYS 47 HD1 LYS 47 4.494 -10.086 -3.805
390 HE2 LYS 47 HE2 LYS 47 6.092 -9.875 -5.617
391 HE3 LYS 47 HE1 LYS 47 7.320 -9.293 -4.497
392 HZ1 LYS 47 HZ1 LYS 47 7.313 -11.416 -3.396
393 HZ2 LYS 47 HZ2 LYS 47 7.588 -11.647 -5.052
394 HZ3 LYS 47 HZ3 LYS 47 6.065 -11.982 -4.395
395 H GLU 48 HN GLU 48 3.814 -5.743 -0.420
396 HA GLU 48 HA GLU 48 1.048 -5.909 0.103
397 HB2 GLU 48 HB2 GLU 48 3.170 -4.670 1.858
398 HB3 GLU 48 HB1 GLU 48 1.589 -5.238 2.372
399 HG2 GLU 48 HG2 GLU 48 3.877 -6.906 1.363
400 HG3 GLU 48 HG1 GLU 48 3.247 -6.838 3.006
401 H VAL 49 HN VAL 49 3.218 -3.115 -0.246
402 HA VAL 49 HA VAL 49 1.187 -1.231 0.422
403 HB VAL 49 HB VAL 49 3.516 -0.596 0.683
404 HG11 VAL 49 HG11 VAL 49 3.742 -0.585 -2.317
405 HG12 VAL 49 HG12 VAL 49 4.379 -1.861 -1.281
406 HG13 VAL 49 HG13 VAL 49 5.009 -0.218 -1.144
407 HG21 VAL 49 HG21 VAL 49 3.417 1.611 -0.221
408 HG22 VAL 49 HG22 VAL 49 1.783 1.129 0.230
409 HG23 VAL 49 HG23 VAL 49 2.274 1.104 -1.461
410 H ALA 50 HN ALA 50 2.350 -2.631 -2.594
411 HA ALA 50 HA ALA 50 1.051 -0.928 -4.392
412 HB1 ALA 50 HB1 ALA 50 1.516 -3.881 -4.774
413 HB2 ALA 50 HB2 ALA 50 2.751 -2.643 -4.982
414 HB3 ALA 50 HB3 ALA 50 1.334 -2.656 -6.031
415 H GLU 51 HN GLU 51 -0.126 -3.921 -2.850
416 HA GLU 51 HA GLU 51 -2.634 -3.834 -4.202
417 HB2 GLU 51 HB2 GLU 51 -3.339 -5.606 -2.712
418 HB3 GLU 51 HB1 GLU 51 -1.707 -5.928 -3.276
419 HG2 GLU 51 HG2 GLU 51 -0.773 -5.280 -1.191
420 HG3 GLU 51 HG1 GLU 51 -2.316 -4.655 -0.624
421 H ALA 52 HN ALA 52 -1.464 -2.751 -1.085
422 HA ALA 52 HA ALA 52 -3.989 -2.157 0.031
423 HB1 ALA 52 HB1 ALA 52 -1.860 -2.612 1.273
424 HB2 ALA 52 HB2 ALA 52 -2.777 -1.216 1.845
425 HB3 ALA 52 HB3 ALA 52 -1.342 -0.979 0.848
426 H TYR 53 HN TYR 53 -1.556 -0.170 -1.624
427 HA TYR 53 HA TYR 53 -2.978 2.262 -1.185
428 HB2 TYR 53 HB2 TYR 53 -1.121 3.233 -2.002
429 HB3 TYR 53 HB1 TYR 53 -0.429 1.618 -2.080
430 HD1 TYR 53 HD1 TYR 53 -0.251 0.446 -4.223
431 HD2 TYR 53 HD2 TYR 53 -1.867 4.376 -4.001
432 HE1 TYR 53 HE1 TYR 53 -0.032 0.671 -6.660
433 HE2 TYR 53 HE2 TYR 53 -1.651 4.607 -6.436
434 HH TYR 53 HH TYR 53 -1.183 2.027 -8.476
435 H GLU 54 HN GLU 54 -2.891 -0.141 -3.757
436 HA GLU 54 HA GLU 54 -4.268 1.453 -5.666
437 HB2 GLU 54 HB2 GLU 54 -2.810 -0.703 -5.973
438 HB3 GLU 54 HB1 GLU 54 -4.335 -1.543 -5.724
439 HG2 GLU 54 HG2 GLU 54 -3.993 -1.310 -8.066
440 HG3 GLU 54 HG1 GLU 54 -5.298 -0.220 -7.596
441 H VAL 55 HN VAL 55 -5.305 -1.061 -3.381
442 HA VAL 55 HA VAL 55 -8.018 -1.028 -4.214
443 HB VAL 55 HB VAL 55 -7.022 -2.931 -2.964
444 HG11 VAL 55 HG11 VAL 55 -7.192 -1.093 -0.586
445 HG12 VAL 55 HG12 VAL 55 -5.718 -1.733 -1.311
446 HG13 VAL 55 HG13 VAL 55 -6.857 -2.822 -0.518
447 HG21 VAL 55 HG21 VAL 55 -9.471 -1.682 -1.731
448 HG22 VAL 55 HG22 VAL 55 -8.984 -3.364 -1.523
449 HG23 VAL 55 HG23 VAL 55 -9.420 -2.764 -3.124
450 H LEU 56 HN LEU 56 -6.216 0.767 -1.765
451 HA LEU 56 HA LEU 56 -8.509 2.005 -0.595
452 HB2 LEU 56 HB2 LEU 56 -6.152 1.696 0.383
453 HB3 LEU 56 HB1 LEU 56 -5.720 3.114 -0.550
454 HG LEU 56 HG LEU 56 -6.230 3.532 1.853
455 HD11 LEU 56 HD11 LEU 56 -7.992 4.957 -0.122
456 HD12 LEU 56 HD12 LEU 56 -6.322 5.360 0.279
457 HD13 LEU 56 HD13 LEU 56 -7.586 5.535 1.496
458 HD21 LEU 56 HD21 LEU 56 -8.697 3.695 2.401
459 HD22 LEU 56 HD22 LEU 56 -7.978 2.090 2.370
460 HD23 LEU 56 HD23 LEU 56 -8.960 2.642 1.008
461 H SER 57 HN SER 57 -6.596 2.602 -3.406
462 HA SER 57 HA SER 57 -7.149 5.409 -3.563
463 HB2 SER 57 HB2 SER 57 -5.106 4.376 -4.539
464 HB3 SER 57 HB1 SER 57 -6.119 3.528 -5.705
465 HG SER 57 HG SER 57 -6.879 5.860 -6.133
466 H ASP 58 HN ASP 58 -8.763 2.521 -4.465
467 HA ASP 58 HA ASP 58 -10.702 4.126 -5.994
468 HB2 ASP 58 HB2 ASP 58 -9.697 2.250 -7.280
469 HB3 ASP 58 HB1 ASP 58 -10.350 1.126 -6.091
470 H LYS 59 HN LYS 59 -12.542 4.502 -5.060
471 HA LYS 59 HA LYS 59 -13.022 3.743 -2.402
472 HB2 LYS 59 HB2 LYS 59 -15.220 4.877 -2.773
473 HB3 LYS 59 HB1 LYS 59 -13.813 5.868 -3.091
474 HG2 LYS 59 HG2 LYS 59 -15.466 4.484 -5.202
475 HG3 LYS 59 HG1 LYS 59 -15.706 6.151 -4.688
476 HD2 LYS 59 HD2 LYS 59 -13.226 5.011 -5.981
477 HD3 LYS 59 HD1 LYS 59 -14.416 6.057 -6.751
478 HE2 LYS 59 HE2 LYS 59 -12.763 6.843 -4.353
479 HE3 LYS 59 HE1 LYS 59 -12.315 7.205 -6.017
480 HZ1 LYS 59 HZ1 LYS 59 -14.771 8.151 -4.630
481 HZ2 LYS 59 HZ2 LYS 59 -14.360 8.486 -6.245
482 HZ3 LYS 59 HZ3 LYS 59 -13.396 9.078 -4.984
483 H HIS 60 HN HIS 60 -14.335 2.666 -5.443
484 HA HIS 60 HA HIS 60 -16.419 1.097 -4.361
485 HB2 HIS 60 HB2 HIS 60 -16.328 1.908 -6.720
486 HB3 HIS 60 HB1 HIS 60 -15.062 0.727 -7.036
487 HD1 HIS 60 HD1 HIS 60 -18.412 0.343 -5.249
488 HD2 HIS 60 HD2 HIS 60 -16.259 -1.256 -8.432
489 HE1 HIS 60 HE1 HIS 60 -19.830 -1.522 -6.167
490 HE2 HIS 60 HE2 HIS 60 -18.612 -2.306 -8.225
491 H LYS 61 HN LYS 61 -13.077 0.300 -5.320
492 HA LYS 61 HA LYS 61 -13.248 -2.453 -4.852
493 HB2 LYS 61 HB2 LYS 61 -10.840 -0.719 -4.337
494 HB3 LYS 61 HB1 LYS 61 -10.840 -2.450 -4.630
495 HG2 LYS 61 HG2 LYS 61 -11.532 -0.271 -6.573
496 HG3 LYS 61 HG1 LYS 61 -10.135 -1.346 -6.612
497 HD2 LYS 61 HD2 LYS 61 -11.537 -3.242 -7.058
498 HD3 LYS 61 HD1 LYS 61 -12.995 -2.266 -6.843
499 HE2 LYS 61 HE2 LYS 61 -10.900 -1.707 -8.916
500 HE3 LYS 61 HE1 LYS 61 -12.331 -2.688 -9.230
501 HZ1 LYS 61 HZ1 LYS 61 -12.480 0.103 -8.218
502 HZ2 LYS 61 HZ2 LYS 61 -13.723 -0.829 -8.895
503 HZ3 LYS 61 HZ3 LYS 61 -12.462 -0.273 -9.871
504 H ARG 62 HN ARG 62 -12.771 0.214 -2.592
505 HA ARG 62 HA ARG 62 -11.943 -1.360 -0.408
506 HB2 ARG 62 HB2 ARG 62 -13.171 1.364 -0.605
507 HB3 ARG 62 HB1 ARG 62 -12.915 0.613 0.963
508 HG2 ARG 62 HG2 ARG 62 -10.869 1.428 -1.073
509 HG3 ARG 62 HG1 ARG 62 -11.047 1.972 0.596
510 HD2 ARG 62 HD2 ARG 62 -10.058 -0.681 -0.412
511 HD3 ARG 62 HD1 ARG 62 -9.212 0.488 0.596
512 HE ARG 62 HE ARG 62 -11.530 -0.450 1.934
513 HH11 ARG 62 HH11 ARG 62 -8.292 -1.381 1.032
514 HH12 ARG 62 HH12 ARG 62 -8.141 -2.612 2.247
515 HH21 ARG 62 HH21 ARG 62 -11.395 -2.106 3.533
516 HH22 ARG 62 HH22 ARG 62 -9.923 -3.019 3.678
517 H GLU 63 HN GLU 63 -15.191 -0.228 -1.350
518 HA GLU 63 HA GLU 63 -16.472 -1.354 0.904
519 HB2 GLU 63 HB2 GLU 63 -18.557 -0.981 -0.264
520 HB3 GLU 63 HB1 GLU 63 -17.499 0.401 -0.505
521 HG2 GLU 63 HG2 GLU 63 -16.923 -0.435 -2.727
522 HG3 GLU 63 HG1 GLU 63 -17.998 -1.811 -2.485
523 H ILE 64 HN ILE 64 -15.734 -2.581 -2.306
524 HA ILE 64 HA ILE 64 -17.153 -5.026 -2.073
525 HB ILE 64 HB ILE 64 -14.800 -4.280 -3.829
526 HG12 ILE 64 HG12 ILE 64 -16.811 -2.951 -4.261
527 HG13 ILE 64 HG11 ILE 64 -16.506 -4.057 -5.595
528 HG21 ILE 64 HG21 ILE 64 -16.606 -6.693 -3.978
529 HG22 ILE 64 HG22 ILE 64 -14.887 -6.688 -3.582
530 HG23 ILE 64 HG23 ILE 64 -15.420 -6.229 -5.198
531 HD11 ILE 64 HD11 ILE 64 -18.868 -3.950 -5.068
532 HD12 ILE 64 HD12 ILE 64 -18.535 -4.439 -3.407
533 HD13 ILE 64 HD13 ILE 64 -18.229 -5.558 -4.733
534 H TYR 65 HN TYR 65 -13.812 -4.081 -1.439
535 HA TYR 65 HA TYR 65 -12.753 -6.626 -0.974
536 HB2 TYR 65 HB2 TYR 65 -11.496 -4.490 -1.352
537 HB3 TYR 65 HB1 TYR 65 -11.846 -4.053 0.315
538 HD1 TYR 65 HD2 TYR 65 -10.045 -6.434 -1.849
539 HD2 TYR 65 HD1 TYR 65 -10.579 -4.989 2.117
540 HE1 TYR 65 HE2 TYR 65 -8.020 -7.639 -1.146
541 HE2 TYR 65 HE1 TYR 65 -8.554 -6.187 2.830
542 HH TYR 65 HH TYR 65 -7.180 -8.063 2.146
543 H ASP 66 HN ASP 66 -14.222 -4.293 1.259
544 HA ASP 66 HA ASP 66 -13.664 -5.883 3.556
545 HB2 ASP 66 HB2 ASP 66 -15.240 -3.400 3.060
546 HB3 ASP 66 HB1 ASP 66 -15.495 -4.281 4.565
547 H ARG 67 HN ARG 67 -16.565 -5.487 1.521
548 HA ARG 67 HA ARG 67 -18.229 -7.007 3.277
549 HB2 ARG 67 HB2 ARG 67 -19.903 -6.860 1.573
550 HB3 ARG 67 HB1 ARG 67 -19.058 -5.319 1.624
551 HG2 ARG 67 HG2 ARG 67 -17.613 -6.427 -0.274
552 HG3 ARG 67 HG1 ARG 67 -19.057 -7.420 -0.480
553 HD2 ARG 67 HD2 ARG 67 -19.024 -4.415 -0.456
554 HD3 ARG 67 HD1 ARG 67 -18.999 -5.394 -1.919
555 HE ARG 67 HE ARG 67 -21.218 -6.057 -0.243
556 HH11 ARG 67 HH11 ARG 67 -20.060 -3.666 -2.527
557 HH12 ARG 67 HH12 ARG 67 -21.640 -3.246 -3.104
558 HH21 ARG 67 HH21 ARG 67 -23.317 -5.495 -0.991
559 HH22 ARG 67 HH22 ARG 67 -23.496 -4.279 -2.226
560 H TYR 68 HN TYR 68 -16.111 -7.816 0.641
561 HA TYR 68 HA TYR 68 -17.190 -10.546 0.522
562 HB2 TYR 68 HB2 TYR 68 -17.192 -9.958 -1.661
563 HB3 TYR 68 HB1 TYR 68 -16.064 -8.642 -1.406
564 HD1 TYR 68 HD1 TYR 68 -16.394 -12.191 -2.283
565 HD2 TYR 68 HD2 TYR 68 -13.702 -8.941 -1.751
566 HE1 TYR 68 HE1 TYR 68 -14.653 -13.442 -3.488
567 HE2 TYR 68 HE2 TYR 68 -11.954 -10.182 -2.949
568 HH TYR 68 HH TYR 68 -11.373 -12.468 -3.526
569 H GLY 69 HN GLY 69 -14.773 -8.842 1.955
570 HA2 GLY 69 HA2 GLY 69 -12.477 -10.430 1.629
571 HA3 GLY 69 HA1 GLY 69 -12.810 -9.353 2.976
572 H ARG 70 HN ARG 70 -14.918 -10.446 4.158
573 HA ARG 70 HA ARG 70 -13.723 -12.326 5.822
574 HB2 ARG 70 HB2 ARG 70 -16.649 -11.684 5.486
575 HB3 ARG 70 HB1 ARG 70 -15.991 -12.652 6.797
576 HG2 ARG 70 HG2 ARG 70 -15.451 -9.748 6.229
577 HG3 ARG 70 HG1 ARG 70 -16.346 -10.428 7.592
578 HD2 ARG 70 HD2 ARG 70 -13.398 -10.691 7.014
579 HD3 ARG 70 HD1 ARG 70 -14.149 -9.822 8.351
580 HE ARG 70 HE ARG 70 -15.013 -12.392 8.664
581 HH11 ARG 70 HH11 ARG 70 -11.874 -10.870 8.375
582 HH12 ARG 70 HH12 ARG 70 -11.056 -12.079 9.323
583 HH21 ARG 70 HH21 ARG 70 -13.952 -13.995 9.893
584 HH22 ARG 70 HH22 ARG 70 -12.236 -13.874 10.166
585 H GLU 71 HN GLU 71 -16.129 -12.894 3.244
586 HA GLU 71 HA GLU 71 -16.108 -15.731 3.754
587 HB2 GLU 71 HB2 GLU 71 -17.357 -14.122 1.521
588 HB3 GLU 71 HB1 GLU 71 -17.523 -15.862 1.688
589 HG2 GLU 71 HG2 GLU 71 -19.490 -15.000 2.574
590 HG3 GLU 71 HG1 GLU 71 -18.508 -15.380 3.986