Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10909 | 1qlo RC | 4557 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 -15.211 12.206 14.837
2 H2 MET 1 H2 MET 1 -14.916 11.393 16.297
3 H3 MET 1 H3 MET 1 -13.879 11.159 14.971
4 HA MET 1 HA MET 1 -15.265 9.254 15.119
5 1HB MET 1 1HB MET 1 -17.848 9.995 14.654
6 2HB MET 1 2HB MET 1 -17.201 9.657 16.258
7 1HG MET 1 1HG MET 1 -16.811 11.989 16.685
8 2HG MET 1 2HG MET 1 -17.137 12.413 15.005
9 1HE MET 1 1HE MET 1 -19.067 13.218 14.179
10 2HE MET 1 2HE MET 1 -19.652 11.575 13.884
11 3HE MET 1 3HE MET 1 -20.722 12.781 14.594
12 QB MET 1 QB MET 1 -17.524 9.826 15.456
13 QG MET 1 QG MET 1 -16.974 12.201 15.845
14 ME MET 1 ME MET 1 -19.813 12.525 14.219
15 H SER 2 H SER 2 -17.104 11.699 13.281
16 HA SER 2 HA SER 2 -17.481 11.855 10.968
17 1HB SER 2 1HB SER 2 -14.638 10.811 10.828
18 2HB SER 2 2HB SER 2 -15.496 11.675 9.555
19 HG SER 2 HG SER 2 -14.099 13.006 10.859
20 QB SER 2 QB SER 2 -15.067 11.243 10.192
21 H TRP 3 H TRP 3 -16.963 10.361 8.818
22 HA TRP 3 HA TRP 3 -18.088 7.711 9.567
23 1HB TRP 3 1HB TRP 3 -18.627 9.545 7.490
24 2HB TRP 3 2HB TRP 3 -17.868 8.152 6.719
25 HD1 TRP 3 HD1 TRP 3 -20.389 8.446 9.650
26 HE1 TRP 3 HE1 TRP 3 -22.345 6.831 9.184
27 HE3 TRP 3 HE3 TRP 3 -18.931 6.574 5.128
28 HZ2 TRP 3 HZ2 TRP 3 -23.180 4.988 7.160
29 HZ3 TRP 3 HZ3 TRP 3 -20.323 4.893 3.955
30 HH2 TRP 3 HH2 TRP 3 -22.443 4.098 4.964
31 QB TRP 3 QB TRP 3 -18.247 8.848 7.105
32 H ALA 4 H ALA 4 -15.437 7.734 10.243
33 HA ALA 4 HA ALA 4 -13.371 6.700 9.808
34 1HB ALA 4 2HB ALA 4 -14.069 4.865 7.766
35 2HB ALA 4 1HB ALA 4 -15.485 5.013 8.807
36 3HB ALA 4 3HB ALA 4 -13.930 4.542 9.494
37 MB ALA 4 MB ALA 4 -14.494 4.807 8.689
38 H LEU 5 H LEU 5 -14.119 9.048 8.167
39 HA LEU 5 HA LEU 5 -13.383 8.590 5.425
40 1HB LEU 5 1HB LEU 5 -13.200 11.127 7.079
41 2HB LEU 5 2HB LEU 5 -13.112 11.042 5.319
42 HG LEU 5 HG LEU 5 -15.458 9.716 6.564
43 1HD1 LEU 5 1HD1 LEU 5 -14.945 12.028 7.736
44 2HD1 LEU 5 2HD1 LEU 5 -15.577 12.695 6.231
45 3HD1 LEU 5 3HD1 LEU 5 -16.587 11.642 7.221
46 1HD2 LEU 5 1HD2 LEU 5 -15.078 11.606 4.217
47 2HD2 LEU 5 2HD2 LEU 5 -15.121 9.845 4.119
48 3HD2 LEU 5 3HD2 LEU 5 -16.564 10.737 4.601
49 MD1 LEU 5 MD1 LEU 5 -15.703 12.122 7.063
50 MD2 LEU 5 MD2 LEU 5 -15.587 10.729 4.313
51 QB LEU 5 QB LEU 5 -13.156 11.084 6.199
52 QD LEU 5 QD LEU 5 -15.645 11.425 5.688
53 H GLU 6 H GLU 6 -11.498 9.925 8.172
54 HA GLU 6 HA GLU 6 -9.052 10.307 6.882
55 1HB GLU 6 2HB GLU 6 -9.608 10.763 9.331
56 2HB GLU 6 1HB GLU 6 -7.996 10.118 9.021
57 1HG GLU 6 2HG GLU 6 -9.981 8.004 9.378
58 2HG GLU 6 1HG GLU 6 -9.871 9.057 10.787
59 QB GLU 6 QB GLU 6 -8.802 10.440 9.176
60 QG GLU 6 QG GLU 6 -9.926 8.530 10.083
61 H MET 7 H MET 7 -10.606 7.292 7.742
62 HA MET 7 HA MET 7 -8.186 5.710 7.210
63 1HB MET 7 1HB MET 7 -11.002 5.126 8.045
64 2HB MET 7 2HB MET 7 -10.071 3.833 7.289
65 1HG MET 7 1HG MET 7 -8.333 5.056 9.150
66 2HG MET 7 2HG MET 7 -9.878 4.864 9.979
67 1HE MET 7 1HE MET 7 -7.006 3.714 8.327
68 2HE MET 7 2HE MET 7 -6.568 2.640 9.653
69 3HE MET 7 3HE MET 7 -7.057 1.960 8.103
70 QB MET 7 QB MET 7 -10.536 4.479 7.667
71 QG MET 7 QG MET 7 -9.105 4.960 9.565
72 ME MET 7 ME MET 7 -6.877 2.771 8.695
73 H ALA 8 H ALA 8 -11.253 6.486 5.603
74 HA ALA 8 HA ALA 8 -11.008 4.748 3.378
75 1HB ALA 8 3HB ALA 8 -13.079 5.816 3.495
76 2HB ALA 8 2HB ALA 8 -12.296 6.717 2.197
77 3HB ALA 8 1HB ALA 8 -12.361 7.393 3.824
78 MB ALA 8 MB ALA 8 -12.578 6.642 3.172
79 H ASP 9 H ASP 9 -9.576 7.945 3.964
80 HA ASP 9 HA ASP 9 -8.549 8.368 1.336
81 1HB ASP 9 1HB ASP 9 -7.554 9.287 4.048
82 2HB ASP 9 2HB ASP 9 -6.875 9.849 2.520
83 QB ASP 9 QB ASP 9 -7.214 9.568 3.284
84 H THR 10 H THR 10 -6.842 7.122 4.236
85 HA THR 10 HA THR 10 -4.473 6.350 2.864
86 HB THR 10 HB THR 10 -5.696 5.046 5.316
87 HG1 THR 10 HG1 THR 10 -5.463 7.180 5.752
88 1HG2 THR 10 1HG2 THR 10 -3.024 4.943 3.971
89 2HG2 THR 10 2HG2 THR 10 -3.085 4.858 5.731
90 3HG2 THR 10 3HG2 THR 10 -3.930 3.653 4.761
91 MG THR 10 MG THR 10 -3.346 4.485 4.821
92 H PHE 11 H PHE 11 -7.625 4.963 2.868
93 HA PHE 11 HA PHE 11 -6.810 2.255 2.173
94 1HB PHE 11 1HB PHE 11 -9.077 3.070 3.167
95 2HB PHE 11 2HB PHE 11 -9.489 3.458 1.497
96 HD1 PHE 11 HD1 PHE 11 -7.939 0.648 3.456
97 HD2 PHE 11 HD2 PHE 11 -10.536 1.811 0.238
98 HE1 PHE 11 HE1 PHE 11 -8.478 -1.735 3.029
99 HE2 PHE 11 HE2 PHE 11 -11.074 -0.572 -0.189
100 HZ PHE 11 HZ PHE 11 -10.046 -2.345 1.207
101 QB PHE 11 QB PHE 11 -9.283 3.264 2.332
102 QD PHE 11 QD PHE 11 -9.237 1.229 1.847
103 QE PHE 11 QE PHE 11 -9.776 -1.154 1.420
104 QR PHE 11 QR PHE 11 -9.614 -0.439 1.549
105 H LEU 12 H LEU 12 -8.396 4.848 0.268
106 HA LEU 12 HA LEU 12 -8.048 3.603 -2.260
107 1HB LEU 12 1HB LEU 12 -8.755 6.270 -1.257
108 2HB LEU 12 2HB LEU 12 -7.892 6.318 -2.795
109 HG LEU 12 HG LEU 12 -9.517 4.506 -3.594
110 1HD1 LEU 12 1HD1 LEU 12 -10.303 4.662 -0.879
111 2HD1 LEU 12 2HD1 LEU 12 -11.633 5.340 -1.818
112 3HD1 LEU 12 3HD1 LEU 12 -11.056 3.709 -2.158
113 1HD2 LEU 12 1HD2 LEU 12 -9.956 7.383 -3.176
114 2HD2 LEU 12 2HD2 LEU 12 -10.175 6.415 -4.634
115 3HD2 LEU 12 3HD2 LEU 12 -11.449 6.477 -3.416
116 MD1 LEU 12 MD1 LEU 12 -10.997 4.570 -1.618
117 MD2 LEU 12 MD2 LEU 12 -10.526 6.758 -3.742
118 QB LEU 12 QB LEU 12 -8.323 6.294 -2.026
119 QD LEU 12 QD LEU 12 -10.762 5.664 -2.680
120 H ASP 13 H ASP 13 -5.849 5.397 -0.225
121 HA ASP 13 HA ASP 13 -3.876 6.005 -2.230
122 1HB ASP 13 1HB ASP 13 -4.160 6.306 0.610
123 2HB ASP 13 2HB ASP 13 -2.597 5.557 0.279
124 QB ASP 13 QB ASP 13 -3.378 5.931 0.445
125 H ASN 14 H ASN 14 -4.208 3.308 0.089
126 HA ASN 14 HA ASN 14 -2.163 1.822 -1.501
127 1HB ASN 14 1HB ASN 14 -2.811 1.968 1.380
128 2HB ASN 14 2HB ASN 14 -2.518 0.339 0.771
129 2HD2 ASN 14 1HD2 ASN 14 -0.350 -0.257 0.737
130 1HD2 ASN 14 2HD2 ASN 14 0.958 0.822 0.666
131 QB ASN 14 QB ASN 14 -2.664 1.153 1.076
132 QD ASN 14 QD ASN 14 0.304 0.282 0.702
133 H MET 15 H MET 15 -4.933 2.078 -2.325
134 HA MET 15 HA MET 15 -6.238 -0.463 -1.618
135 1HB MET 15 1HB MET 15 -7.076 2.041 -2.671
136 2HB MET 15 2HB MET 15 -7.442 0.821 -3.890
137 1HG MET 15 1HG MET 15 -8.125 0.339 -0.997
138 2HG MET 15 2HG MET 15 -9.206 1.276 -2.029
139 1HE MET 15 1HE MET 15 -11.030 0.320 -2.262
140 2HE MET 15 2HE MET 15 -10.860 -0.011 -3.992
141 3HE MET 15 3HE MET 15 -11.471 -1.259 -2.908
142 QB MET 15 QB MET 15 -7.259 1.431 -3.280
143 QG MET 15 QG MET 15 -8.665 0.807 -1.513
144 ME MET 15 ME MET 15 -11.120 -0.317 -3.054
145 H ARG 16 H ARG 16 -3.814 -1.110 -2.685
146 HA ARG 16 HA ARG 16 -4.190 -1.640 -5.574
147 1HB ARG 16 1HB ARG 16 -1.975 -0.878 -4.435
148 2HB ARG 16 2HB ARG 16 -1.842 -2.562 -3.926
149 1HG ARG 16 1HG ARG 16 -2.028 -3.291 -6.276
150 2HG ARG 16 2HG ARG 16 -2.159 -1.608 -6.788
151 1HD ARG 16 1HD ARG 16 0.091 -1.335 -5.442
152 2HD ARG 16 2HD ARG 16 0.220 -3.075 -5.696
153 HE ARG 16 HE ARG 16 -0.382 -1.601 -8.142
154 1HH1 ARG 16 1HH1 ARG 16 1.484 -4.040 -7.154
155 2HH1 ARG 16 2HH1 ARG 16 2.985 -3.477 -7.810
156 1HH2 ARG 16 1HH2 ARG 16 1.797 -0.290 -8.487
157 2HH2 ARG 16 2HH2 ARG 16 3.162 -1.353 -8.564
158 QB ARG 16 QB ARG 16 -1.908 -1.720 -4.180
159 QG ARG 16 QG ARG 16 -2.093 -2.450 -6.532
160 QD ARG 16 QD ARG 16 0.156 -2.205 -5.569
161 QH1 ARG 16 QH1 ARG 16 2.235 -3.759 -7.482
162 QH2 ARG 16 QH2 ARG 16 2.480 -0.822 -8.525
163 H VAL 17 H VAL 17 -6.118 -3.025 -4.414
164 HA VAL 17 HA VAL 17 -6.988 -5.194 -4.209
165 HB VAL 17 HB VAL 17 -4.332 -6.309 -5.082
166 1HG1 VAL 17 1HG1 VAL 17 -7.233 -7.043 -5.235
167 2HG1 VAL 17 2HG1 VAL 17 -6.150 -7.624 -6.500
168 3HG1 VAL 17 3HG1 VAL 17 -5.846 -8.048 -4.815
169 1HG2 VAL 17 1HG2 VAL 17 -5.951 -4.329 -6.494
170 2HG2 VAL 17 2HG2 VAL 17 -4.353 -4.957 -6.896
171 3HG2 VAL 17 3HG2 VAL 17 -5.797 -5.829 -7.409
172 MG1 VAL 17 MG1 VAL 17 -6.409 -7.572 -5.516
173 MG2 VAL 17 MG2 VAL 17 -5.367 -5.038 -6.933
174 QG VAL 17 QG VAL 17 -5.888 -6.305 -6.224
175 H GLY 18 H GLY 18 -5.301 -3.860 -2.073
176 1HA GLY 18 1HA GLY 18 -4.730 -4.450 0.132
177 2HA GLY 18 2HA GLY 18 -5.294 -6.084 -0.220
178 QA GLY 18 QA GLY 18 -5.012 -5.267 -0.044
179 1HB PRO 19 1HB PRO 19 -0.185 -6.919 2.350
180 2HB PRO 19 2HB PRO 19 -0.289 -5.183 2.011
181 1HG PRO 19 2HG PRO 19 -2.069 -5.220 3.483
182 2HG PRO 19 1HG PRO 19 -2.300 -6.967 3.300
183 1HD PRO 19 1HD PRO 19 -4.060 -6.477 1.908
184 2HD PRO 19 2HD PRO 19 -3.614 -4.758 1.855
185 QB PRO 19 QB PRO 19 -0.237 -6.051 2.181
186 QG PRO 19 QG PRO 19 -2.184 -6.094 3.392
187 QD PRO 19 QD PRO 19 -3.837 -5.618 1.882
188 H ARG 20 H ARG 20 0.826 -7.853 -0.066
189 HA ARG 20 HA ARG 20 -0.743 -10.397 -0.093
190 1HB ARG 20 1HB ARG 20 0.663 -9.139 -2.276
191 2HB ARG 20 2HB ARG 20 1.432 -10.678 -1.885
192 1HG ARG 20 1HG ARG 20 -0.877 -11.722 -1.905
193 2HG ARG 20 2HG ARG 20 -1.481 -10.200 -2.560
194 1HD ARG 20 1HD ARG 20 -0.872 -10.871 -4.617
195 2HD ARG 20 2HD ARG 20 0.809 -10.905 -4.085
196 HE ARG 20 HE ARG 20 0.659 -13.256 -3.982
197 1HH1 ARG 20 1HH1 ARG 20 -1.294 -13.973 -2.124
198 2HH1 ARG 20 2HH1 ARG 20 -2.664 -14.504 -3.041
199 1HH2 ARG 20 1HH2 ARG 20 -1.613 -13.003 -5.984
200 2HH2 ARG 20 2HH2 ARG 20 -2.844 -13.955 -5.225
201 QB ARG 20 QB ARG 20 1.048 -9.909 -2.080
202 QG ARG 20 QG ARG 20 -1.179 -10.961 -2.232
203 QD ARG 20 QD ARG 20 -0.031 -10.888 -4.351
204 QH1 ARG 20 QH1 ARG 20 -1.979 -14.239 -2.582
205 QH2 ARG 20 QH2 ARG 20 -2.228 -13.479 -5.604
206 H THR 21 H THR 21 2.584 -9.069 -0.037
207 HA THR 21 HA THR 21 3.212 -10.670 2.324
208 HB THR 21 HB THR 21 5.149 -11.274 0.192
209 HG1 THR 21 HG1 THR 21 3.441 -13.051 -0.330
210 1HG2 THR 21 1HG2 THR 21 3.951 -12.477 2.597
211 2HG2 THR 21 2HG2 THR 21 4.282 -13.629 1.303
212 3HG2 THR 21 3HG2 THR 21 5.585 -12.635 1.954
213 MG THR 21 MG THR 21 4.606 -12.914 1.952
214 H TYR 22 H TYR 22 5.552 -10.268 2.975
215 HA TYR 22 HA TYR 22 6.201 -7.442 2.347
216 1HB TYR 22 1HB TYR 22 7.093 -9.332 4.534
217 2HB TYR 22 2HB TYR 22 7.795 -7.729 4.311
218 HD1 TYR 22 HD1 TYR 22 5.731 -5.922 3.723
219 HD2 TYR 22 HD2 TYR 22 5.525 -9.390 6.249
220 HE1 TYR 22 HE1 TYR 22 3.825 -4.916 4.949
221 HE2 TYR 22 HE2 TYR 22 3.619 -8.384 7.474
222 HH TYR 22 HH TYR 22 2.529 -6.394 7.859
223 QB TYR 22 QB TYR 22 7.444 -8.531 4.423
224 QD TYR 22 QD TYR 22 5.628 -7.656 4.986
225 QE TYR 22 QE TYR 22 3.722 -6.650 6.212
226 QR TYR 22 QR TYR 22 4.675 -7.153 5.599
227 H ALA 23 H ALA 23 7.664 -10.677 2.098
228 HA ALA 23 HA ALA 23 10.292 -9.815 1.462
229 1HB ALA 23 1HB ALA 23 8.756 -12.296 1.261
230 2HB ALA 23 3HB ALA 23 10.447 -12.059 1.703
231 3HB ALA 23 2HB ALA 23 9.981 -12.131 0.004
232 MB ALA 23 MB ALA 23 9.728 -12.162 0.990
233 H ASP 24 H ASP 24 7.480 -10.263 -0.528
234 HA ASP 24 HA ASP 24 8.896 -9.765 -3.026
235 1HB ASP 24 1HB ASP 24 6.217 -9.194 -3.550
236 2HB ASP 24 2HB ASP 24 7.019 -10.739 -3.810
237 QB ASP 24 QB ASP 24 6.618 -9.967 -3.680
238 H VAL 25 H VAL 25 6.156 -7.862 -1.752
239 HA VAL 25 HA VAL 25 6.642 -5.509 -3.118
240 HB VAL 25 HB VAL 25 5.797 -5.711 -0.212
241 1HG1 VAL 25 1HG1 VAL 25 5.915 -3.504 -2.208
242 2HG1 VAL 25 2HG1 VAL 25 4.470 -3.588 -1.201
243 3HG1 VAL 25 3HG1 VAL 25 6.060 -3.440 -0.452
244 1HG2 VAL 25 1HG2 VAL 25 4.582 -6.772 -2.499
245 2HG2 VAL 25 2HG2 VAL 25 3.801 -6.480 -0.945
246 3HG2 VAL 25 3HG2 VAL 25 3.726 -5.257 -2.214
247 MG1 VAL 25 MG1 VAL 25 5.482 -3.511 -1.287
248 MG2 VAL 25 MG2 VAL 25 4.037 -6.170 -1.886
249 QG VAL 25 QG VAL 25 4.759 -4.840 -1.586
250 H ARG 26 H ARG 26 8.407 -6.734 -0.323
251 HA ARG 26 HA ARG 26 9.861 -4.289 0.192
252 1HB ARG 26 1HB ARG 26 9.652 -6.079 1.883
253 2HB ARG 26 2HB ARG 26 10.609 -7.152 0.860
254 1HG ARG 26 1HG ARG 26 12.577 -5.966 1.221
255 2HG ARG 26 2HG ARG 26 11.725 -4.465 1.589
256 1HD ARG 26 1HD ARG 26 10.876 -5.563 3.698
257 2HD ARG 26 2HD ARG 26 11.951 -6.918 3.353
258 HE ARG 26 HE ARG 26 12.786 -4.565 4.634
259 1HH1 ARG 26 1HH1 ARG 26 13.778 -3.767 1.941
260 2HH1 ARG 26 2HH1 ARG 26 15.359 -4.473 1.901
261 1HH2 ARG 26 1HH2 ARG 26 14.753 -6.625 4.553
262 2HH2 ARG 26 2HH2 ARG 26 15.912 -6.092 3.381
263 QB ARG 26 QB ARG 26 10.131 -6.616 1.372
264 QG ARG 26 QG ARG 26 12.151 -5.216 1.405
265 QD ARG 26 QD ARG 26 11.414 -6.241 3.526
266 QH1 ARG 26 QH1 ARG 26 14.569 -4.120 1.921
267 QH2 ARG 26 QH2 ARG 26 15.333 -6.359 3.967
268 H ASP 27 H ASP 27 10.732 -7.287 -1.585
269 HA ASP 27 HA ASP 27 13.335 -6.408 -2.340
270 1HB ASP 27 2HB ASP 27 12.581 -8.752 -2.593
271 2HB ASP 27 1HB ASP 27 13.219 -8.113 -4.106
272 QB ASP 27 QB ASP 27 12.900 -8.433 -3.349
273 H GLU 28 H GLU 28 10.246 -5.338 -3.374
274 HA GLU 28 HA GLU 28 10.959 -4.492 -6.033
275 1HB GLU 28 1HB GLU 28 8.598 -4.679 -4.970
276 2HB GLU 28 2HB GLU 28 8.928 -3.079 -4.304
277 1HG GLU 28 1HG GLU 28 9.700 -2.808 -6.946
278 2HG GLU 28 2HG GLU 28 8.282 -3.852 -7.059
279 QB GLU 28 QB GLU 28 8.763 -3.879 -4.637
280 QG GLU 28 QG GLU 28 8.991 -3.330 -7.002
281 H ILE 29 H ILE 29 11.264 -3.008 -2.832
282 HA ILE 29 HA ILE 29 12.138 -0.459 -3.949
283 HB ILE 29 HB ILE 29 12.336 -1.567 -1.134
284 1HG1 ILE 29 1HG1 ILE 29 10.564 0.690 -1.552
285 2HG1 ILE 29 2HG1 ILE 29 10.134 -0.637 -2.632
286 1HG2 ILE 29 1HG2 ILE 29 13.244 0.974 -2.393
287 2HG2 ILE 29 2HG2 ILE 29 12.443 1.108 -0.828
288 3HG2 ILE 29 3HG2 ILE 29 13.892 0.117 -0.995
289 1HD1 ILE 29 1HD1 ILE 29 10.472 -2.091 -0.440
290 2HD1 ILE 29 2HD1 ILE 29 10.140 -0.555 0.361
291 3HD1 ILE 29 3HD1 ILE 29 8.949 -1.253 -0.737
292 MG ILE 29 MG ILE 29 13.193 0.733 -1.405
293 MD ILE 29 MD ILE 29 9.854 -1.300 -0.272
294 QG ILE 29 QG ILE 29 10.349 0.026 -2.092
295 H ASN 30 H ASN 30 13.603 -3.056 -4.550
296 HA ASN 30 HA ASN 30 16.331 -2.186 -3.761
297 1HB ASN 30 1HB ASN 30 15.329 -4.915 -4.633
298 2HB ASN 30 2HB ASN 30 17.013 -4.527 -4.280
299 2HD2 ASN 30 1HD2 ASN 30 16.424 -2.762 -1.995
300 1HD2 ASN 30 2HD2 ASN 30 15.877 -3.761 -0.737
301 QB ASN 30 QB ASN 30 16.171 -4.721 -4.456
302 QD ASN 30 QD ASN 30 16.151 -3.262 -1.366
303 H LYS 31 H LYS 31 14.803 -3.996 -6.458
304 HA LYS 31 HA LYS 31 16.737 -2.922 -8.356
305 1HB LYS 31 1HB LYS 31 14.177 -4.498 -8.783
306 2HB LYS 31 2HB LYS 31 15.368 -4.141 -10.035
307 1HG LYS 31 1HG LYS 31 16.338 -5.418 -7.513
308 2HG LYS 31 2HG LYS 31 15.454 -6.425 -8.661
309 1HD LYS 31 1HD LYS 31 17.258 -6.548 -9.998
310 2HD LYS 31 2HD LYS 31 17.339 -4.788 -10.093
311 1HE LYS 31 2HE LYS 31 18.254 -5.476 -7.509
312 2HE LYS 31 1HE LYS 31 19.213 -4.855 -8.853
313 1HZ LYS 31 1HZ LYS 31 18.554 -7.671 -8.996
314 2HZ LYS 31 2HZ LYS 31 20.016 -6.880 -9.329
315 3HZ LYS 31 3HZ LYS 31 19.594 -7.243 -7.723
316 QB LYS 31 QB LYS 31 14.773 -4.320 -9.409
317 QD LYS 31 QD LYS 31 17.299 -5.668 -10.045
318 QG LYS 31 QG LYS 31 15.896 -5.922 -8.087
319 QE LYS 31 QE LYS 31 18.734 -5.166 -8.181
320 QZ LYS 31 QZ LYS 31 19.388 -7.265 -8.682
321 H ARG 32 H ARG 32 13.631 -1.951 -7.138
322 HA ARG 32 HA ARG 32 13.303 -0.044 -9.406
323 1HB ARG 32 1HB ARG 32 11.395 -1.588 -8.568
324 2HB ARG 32 2HB ARG 32 11.303 -0.488 -7.192
325 1HG ARG 32 1HG ARG 32 10.154 1.001 -8.423
326 2HG ARG 32 2HG ARG 32 11.457 1.056 -9.610
327 1HD ARG 32 2HD ARG 32 9.398 0.339 -10.707
328 2HD ARG 32 1HD ARG 32 9.190 -0.956 -9.528
329 HE ARG 32 HE ARG 32 11.742 -1.278 -10.742
330 1HH1 ARG 32 1HH1 ARG 32 8.393 -1.892 -11.052
331 2HH1 ARG 32 2HH1 ARG 32 8.550 -2.837 -12.496
332 1HH2 ARG 32 1HH2 ARG 32 11.959 -2.289 -12.802
333 2HH2 ARG 32 2HH2 ARG 32 10.568 -3.060 -13.486
334 QB ARG 32 QB ARG 32 11.349 -1.038 -7.880
335 QG ARG 32 QG ARG 32 10.806 1.028 -9.016
336 QD ARG 32 QD ARG 32 9.294 -0.309 -10.117
337 QH1 ARG 32 QH1 ARG 32 8.472 -2.365 -11.774
338 QH2 ARG 32 QH2 ARG 32 11.264 -2.675 -13.144
339 H GLY 33 H GLY 33 15.390 0.567 -7.684
340 1HA GLY 33 1HA GLY 33 14.538 2.313 -5.528
341 2HA GLY 33 2HA GLY 33 16.175 2.200 -6.177
342 QA GLY 33 QA GLY 33 15.357 2.256 -5.852
343 H ARG 34 H ARG 34 16.512 4.442 -6.350
344 HA ARG 34 HA ARG 34 14.606 5.985 -8.028
345 1HB ARG 34 1HB ARG 34 15.546 6.835 -5.780
346 2HB ARG 34 2HB ARG 34 17.061 7.078 -6.649
347 1HG ARG 34 1HG ARG 34 14.544 8.149 -7.863
348 2HG ARG 34 2HG ARG 34 15.256 9.020 -6.504
349 1HD ARG 34 1HD ARG 34 17.394 9.178 -7.690
350 2HD ARG 34 2HD ARG 34 16.738 8.243 -9.033
351 HE ARG 34 HE ARG 34 15.128 10.588 -8.509
352 1HH1 ARG 34 1HH1 ARG 34 18.262 11.087 -8.792
353 2HH1 ARG 34 2HH1 ARG 34 18.293 11.636 -10.434
354 1HH2 ARG 34 1HH2 ARG 34 15.061 10.588 -11.124
355 2HH2 ARG 34 2HH2 ARG 34 16.480 11.354 -11.755
356 QB ARG 34 QB ARG 34 16.304 6.956 -6.214
357 QG ARG 34 QG ARG 34 14.900 8.584 -7.183
358 QD ARG 34 QD ARG 34 17.066 8.710 -8.361
359 QH1 ARG 34 QH1 ARG 34 18.278 11.361 -9.613
360 QH2 ARG 34 QH2 ARG 34 15.771 10.971 -11.439
No H/Q in entry = 360
Start of MODEL 2
1 H1 MET 1 H1 MET 1 -17.751 17.416 4.386
2 H2 MET 1 H2 MET 1 -16.699 17.786 3.107
3 H3 MET 1 H3 MET 1 -16.921 16.170 3.581
4 HA MET 1 HA MET 1 -14.843 16.845 4.451
5 1HB MET 1 1HB MET 1 -16.413 19.304 5.100
6 2HB MET 1 2HB MET 1 -15.091 18.863 6.181
7 1HG MET 1 1HG MET 1 -13.938 20.142 4.629
8 2HG MET 1 2HG MET 1 -13.775 18.544 3.899
9 1HE MET 1 1HE MET 1 -13.666 18.475 1.771
10 2HE MET 1 2HE MET 1 -15.266 17.749 1.661
11 3HE MET 1 3HE MET 1 -14.795 19.034 0.541
12 QB MET 1 QB MET 1 -15.752 19.084 5.641
13 QG MET 1 QG MET 1 -13.856 19.343 4.264
14 ME MET 1 ME MET 1 -14.576 18.419 1.324
15 H SER 2 H SER 2 -17.743 15.788 5.394
16 HA SER 2 HA SER 2 -16.738 15.087 8.116
17 1HB SER 2 1HB SER 2 -18.872 15.459 9.097
18 2HB SER 2 2HB SER 2 -18.581 16.876 8.092
19 HG SER 2 HG SER 2 -20.484 14.933 7.886
20 QB SER 2 QB SER 2 -18.726 16.168 8.595
21 H TRP 3 H TRP 3 -16.187 12.971 7.604
22 HA TRP 3 HA TRP 3 -18.244 11.001 7.502
23 1HB TRP 3 1HB TRP 3 -18.121 12.144 5.075
24 2HB TRP 3 2HB TRP 3 -16.819 10.971 4.881
25 HD1 TRP 3 HD1 TRP 3 -17.663 8.818 3.853
26 HE1 TRP 3 HE1 TRP 3 -19.822 7.416 3.993
27 HE3 TRP 3 HE3 TRP 3 -20.389 11.710 7.060
28 HZ2 TRP 3 HZ2 TRP 3 -22.368 7.509 5.292
29 HZ3 TRP 3 HZ3 TRP 3 -22.676 11.031 7.731
30 HH2 TRP 3 HH2 TRP 3 -23.668 8.936 6.851
31 QB TRP 3 QB TRP 3 -17.470 11.558 4.978
32 H ALA 4 H ALA 4 -16.621 9.166 5.792
33 HA ALA 4 HA ALA 4 -14.455 8.681 7.786
34 1HB ALA 4 2HB ALA 4 -14.704 6.502 5.974
35 2HB ALA 4 1HB ALA 4 -16.337 6.983 6.433
36 3HB ALA 4 3HB ALA 4 -15.163 6.548 7.676
37 MB ALA 4 MB ALA 4 -15.401 6.678 6.694
38 H LEU 5 H LEU 5 -14.193 10.664 5.620
39 HA LEU 5 HA LEU 5 -12.629 9.531 3.475
40 1HB LEU 5 1HB LEU 5 -13.695 11.696 3.184
41 2HB LEU 5 2HB LEU 5 -12.806 12.359 4.557
42 HG LEU 5 HG LEU 5 -10.836 11.270 2.879
43 1HD1 LEU 5 1HD1 LEU 5 -13.111 11.706 1.314
44 2HD1 LEU 5 2HD1 LEU 5 -12.118 13.139 1.048
45 3HD1 LEU 5 3HD1 LEU 5 -11.458 11.535 0.726
46 1HD2 LEU 5 1HD2 LEU 5 -11.507 13.710 4.139
47 2HD2 LEU 5 2HD2 LEU 5 -9.969 13.291 3.385
48 3HD2 LEU 5 3HD2 LEU 5 -11.219 14.107 2.445
49 MD1 LEU 5 MD1 LEU 5 -12.229 12.127 1.029
50 MD2 LEU 5 MD2 LEU 5 -10.898 13.702 3.323
51 QB LEU 5 QB LEU 5 -13.251 12.028 3.871
52 QD LEU 5 QD LEU 5 -11.564 12.914 2.176
53 H GLU 6 H GLU 6 -11.886 10.643 6.715
54 HA GLU 6 HA GLU 6 -9.066 10.990 6.404
55 1HB GLU 6 1HB GLU 6 -10.729 10.183 8.806
56 2HB GLU 6 2HB GLU 6 -9.007 10.558 8.891
57 1HG GLU 6 1HG GLU 6 -10.809 12.527 7.541
58 2HG GLU 6 2HG GLU 6 -10.844 12.442 9.302
59 QB GLU 6 QB GLU 6 -9.868 10.371 8.848
60 QG GLU 6 QG GLU 6 -10.826 12.484 8.422
61 H MET 7 H MET 7 -10.815 8.167 7.772
62 HA MET 7 HA MET 7 -8.475 6.488 7.735
63 1HB MET 7 1HB MET 7 -10.261 5.915 9.237
64 2HB MET 7 2HB MET 7 -11.432 5.866 7.918
65 1HG MET 7 1HG MET 7 -10.424 3.903 6.978
66 2HG MET 7 2HG MET 7 -9.022 4.037 8.041
67 1HE MET 7 1HE MET 7 -12.512 3.117 7.404
68 2HE MET 7 2HE MET 7 -13.204 2.479 8.894
69 3HE MET 7 3HE MET 7 -13.032 4.226 8.670
70 QB MET 7 QB MET 7 -10.846 5.890 8.577
71 QG MET 7 QG MET 7 -9.723 3.970 7.510
72 ME MET 7 ME MET 7 -12.916 3.274 8.323
73 H ALA 8 H ALA 8 -11.322 6.664 5.580
74 HA ALA 8 HA ALA 8 -10.675 4.630 3.779
75 1HB ALA 8 3HB ALA 8 -12.731 5.689 3.376
76 2HB ALA 8 2HB ALA 8 -11.740 6.249 2.029
77 3HB ALA 8 1HB ALA 8 -12.017 7.301 3.418
78 MB ALA 8 MB ALA 8 -12.163 6.413 2.941
79 H ASP 9 H ASP 9 -9.264 7.857 4.037
80 HA ASP 9 HA ASP 9 -7.903 8.050 1.597
81 1HB ASP 9 1HB ASP 9 -7.596 9.162 4.282
82 2HB ASP 9 2HB ASP 9 -6.048 8.971 3.457
83 QB ASP 9 QB ASP 9 -6.822 9.066 3.869
84 H THR 10 H THR 10 -6.845 6.343 4.550
85 HA THR 10 HA THR 10 -4.344 5.449 3.474
86 HB THR 10 HB THR 10 -6.106 4.374 5.689
87 HG1 THR 10 HG1 THR 10 -3.968 6.135 5.432
88 1HG2 THR 10 1HG2 THR 10 -3.800 3.168 4.364
89 2HG2 THR 10 2HG2 THR 10 -3.528 3.415 6.089
90 3HG2 THR 10 3HG2 THR 10 -4.910 2.466 5.540
91 MG THR 10 MG THR 10 -4.079 3.016 5.331
92 H PHE 11 H PHE 11 -7.593 4.006 3.471
93 HA PHE 11 HA PHE 11 -6.745 1.505 2.299
94 1HB PHE 11 1HB PHE 11 -9.339 2.871 2.824
95 2HB PHE 11 2HB PHE 11 -9.334 1.615 1.588
96 HD1 PHE 11 HD1 PHE 11 -7.945 2.211 5.028
97 HD2 PHE 11 HD2 PHE 11 -9.718 -0.574 2.280
98 HE1 PHE 11 HE1 PHE 11 -7.951 0.471 6.796
99 HE2 PHE 11 HE2 PHE 11 -9.724 -2.314 4.047
100 HZ PHE 11 HZ PHE 11 -8.841 -1.791 6.305
101 QB PHE 11 QB PHE 11 -9.336 2.243 2.206
102 QD PHE 11 QD PHE 11 -8.831 0.818 3.654
103 QE PHE 11 QE PHE 11 -8.838 -0.922 5.421
104 QR PHE 11 QR PHE 11 -8.836 -0.400 4.891
105 H LEU 12 H LEU 12 -8.909 3.878 0.748
106 HA LEU 12 HA LEU 12 -8.614 3.126 -1.884
107 1HB LEU 12 1HB LEU 12 -9.814 5.220 -0.700
108 2HB LEU 12 2HB LEU 12 -8.427 6.059 -1.395
109 HG LEU 12 HG LEU 12 -9.013 4.830 -3.587
110 1HD1 LEU 12 1HD1 LEU 12 -11.073 3.848 -1.807
111 2HD1 LEU 12 2HD1 LEU 12 -11.800 4.708 -3.164
112 3HD1 LEU 12 3HD1 LEU 12 -10.710 3.353 -3.460
113 1HD2 LEU 12 1HD2 LEU 12 -9.572 7.299 -2.741
114 2HD2 LEU 12 2HD2 LEU 12 -10.214 6.691 -4.268
115 3HD2 LEU 12 3HD2 LEU 12 -11.227 6.694 -2.824
116 MD1 LEU 12 MD1 LEU 12 -11.195 3.970 -2.810
117 MD2 LEU 12 MD2 LEU 12 -10.338 6.895 -3.278
118 QB LEU 12 QB LEU 12 -9.120 5.639 -1.047
119 QD LEU 12 QD LEU 12 -10.766 5.432 -3.044
120 H ASP 13 H ASP 13 -6.371 5.251 -0.094
121 HA ASP 13 HA ASP 13 -4.617 5.815 -2.254
122 1HB ASP 13 1HB ASP 13 -4.573 6.928 -0.005
123 2HB ASP 13 2HB ASP 13 -3.842 5.466 0.656
124 QB ASP 13 QB ASP 13 -4.208 6.197 0.325
125 H ASN 14 H ASN 14 -4.122 3.367 0.325
126 HA ASN 14 HA ASN 14 -1.885 2.089 -0.727
127 1HB ASN 14 1HB ASN 14 -4.110 1.308 1.039
128 2HB ASN 14 2HB ASN 14 -3.350 -0.047 0.204
129 2HD2 ASN 14 1HD2 ASN 14 -2.714 -0.409 2.671
130 1HD2 ASN 14 2HD2 ASN 14 -1.232 0.270 3.146
131 QB ASN 14 QB ASN 14 -3.730 0.631 0.621
132 QD ASN 14 QD ASN 14 -1.973 -0.070 2.909
133 H MET 15 H MET 15 -5.175 1.990 -1.903
134 HA MET 15 HA MET 15 -4.327 -0.015 -3.955
135 1HB MET 15 2HB MET 15 -6.612 -0.679 -4.163
136 2HB MET 15 1HB MET 15 -7.177 0.724 -3.258
137 1HG MET 15 2HG MET 15 -7.201 -1.325 -1.866
138 2HG MET 15 1HG MET 15 -6.071 -0.130 -1.231
139 1HE MET 15 1HE MET 15 -6.289 -3.330 -0.734
140 2HE MET 15 2HE MET 15 -4.575 -3.732 -0.569
141 3HE MET 15 3HE MET 15 -5.215 -2.268 0.173
142 QB MET 15 QB MET 15 -6.894 0.022 -3.711
143 QG MET 15 QG MET 15 -6.636 -0.728 -1.548
144 ME MET 15 ME MET 15 -5.360 -3.110 -0.377
145 H ARG 16 H ARG 16 -3.405 2.416 -4.555
146 HA ARG 16 HA ARG 16 -5.310 4.102 -5.942
147 1HB ARG 16 1HB ARG 16 -3.149 5.076 -6.954
148 2HB ARG 16 2HB ARG 16 -3.329 5.189 -5.204
149 1HG ARG 16 1HG ARG 16 -1.703 3.611 -4.792
150 2HG ARG 16 2HG ARG 16 -2.027 2.734 -6.287
151 1HD ARG 16 1HD ARG 16 -1.114 5.371 -6.952
152 2HD ARG 16 2HD ARG 16 0.016 4.654 -5.802
153 HE ARG 16 HE ARG 16 -0.148 2.617 -7.495
154 1HH1 ARG 16 1HH1 ARG 16 -0.903 2.990 -9.904
155 2HH1 ARG 16 2HH1 ARG 16 0.105 4.141 -10.716
156 1HH2 ARG 16 1HH2 ARG 16 1.467 5.408 -7.789
157 2HH2 ARG 16 2HH2 ARG 16 1.446 5.511 -9.519
158 QB ARG 16 QB ARG 16 -3.239 5.133 -6.079
159 QG ARG 16 QG ARG 16 -1.865 3.172 -5.540
160 QD ARG 16 QD ARG 16 -0.549 5.012 -6.377
161 QH1 ARG 16 QH1 ARG 16 -0.399 3.566 -10.310
162 QH2 ARG 16 QH2 ARG 16 1.456 5.459 -8.654
163 H VAL 17 H VAL 17 -3.932 1.123 -6.678
164 HA VAL 17 HA VAL 17 -5.006 1.219 -9.400
165 HB VAL 17 HB VAL 17 -2.652 2.174 -9.558
166 1HG1 VAL 17 1HG1 VAL 17 -2.010 0.159 -7.830
167 2HG1 VAL 17 2HG1 VAL 17 -1.534 -0.559 -9.370
168 3HG1 VAL 17 3HG1 VAL 17 -0.839 0.981 -8.861
169 1HG2 VAL 17 1HG2 VAL 17 -3.962 0.139 -11.119
170 2HG2 VAL 17 2HG2 VAL 17 -2.905 1.438 -11.673
171 3HG2 VAL 17 3HG2 VAL 17 -2.218 -0.111 -11.189
172 MG1 VAL 17 MG1 VAL 17 -1.461 0.194 -8.687
173 MG2 VAL 17 MG2 VAL 17 -3.028 0.489 -11.327
174 QG VAL 17 QG VAL 17 -2.245 0.341 -10.007
175 H GLY 18 H GLY 18 -5.864 -0.312 -7.304
176 1HA GLY 18 1HA GLY 18 -4.594 -2.855 -7.018
177 2HA GLY 18 2HA GLY 18 -6.290 -2.526 -6.671
178 QA GLY 18 QA GLY 18 -5.442 -2.691 -6.845
179 1HB PRO 19 1HB PRO 19 -8.972 -2.437 -11.830
180 2HB PRO 19 2HB PRO 19 -9.567 -3.264 -10.380
181 1HG PRO 19 2HG PRO 19 -9.685 -1.144 -9.473
182 2HG PRO 19 1HG PRO 19 -8.559 -0.475 -10.665
183 1HD PRO 19 1HD PRO 19 -6.943 -0.575 -9.046
184 2HD PRO 19 2HD PRO 19 -7.996 -1.515 -7.967
185 QB PRO 19 QB PRO 19 -9.269 -2.851 -11.105
186 QG PRO 19 QG PRO 19 -9.122 -0.810 -10.069
187 QD PRO 19 QD PRO 19 -7.470 -1.045 -8.507
188 H ARG 20 H ARG 20 -5.536 -4.700 -11.546
189 HA ARG 20 HA ARG 20 -5.173 -3.130 -14.007
190 1HB ARG 20 1HB ARG 20 -3.762 -1.842 -12.517
191 2HB ARG 20 2HB ARG 20 -3.027 -3.310 -11.870
192 1HG ARG 20 1HG ARG 20 -2.052 -3.821 -14.057
193 2HG ARG 20 2HG ARG 20 -2.836 -2.405 -14.758
194 1HD ARG 20 1HD ARG 20 -1.517 -1.328 -12.588
195 2HD ARG 20 2HD ARG 20 -0.393 -2.575 -13.132
196 HE ARG 20 HE ARG 20 -0.834 -1.412 -15.477
197 1HH1 ARG 20 1HH1 ARG 20 -2.059 0.694 -13.370
198 2HH1 ARG 20 2HH1 ARG 20 -0.842 1.918 -13.512
199 1HH2 ARG 20 1HH2 ARG 20 1.378 -0.117 -15.234
200 2HH2 ARG 20 2HH2 ARG 20 1.105 1.458 -14.566
201 QB ARG 20 QB ARG 20 -3.394 -2.576 -12.193
202 QG ARG 20 QG ARG 20 -2.444 -3.113 -14.408
203 QD ARG 20 QD ARG 20 -0.955 -1.951 -12.860
204 QH1 ARG 20 QH1 ARG 20 -1.450 1.306 -13.441
205 QH2 ARG 20 QH2 ARG 20 1.242 0.671 -14.900
206 H THR 21 H THR 21 -2.760 -5.135 -12.369
207 HA THR 21 HA THR 21 -2.930 -7.057 -14.618
208 HB THR 21 HB THR 21 -0.975 -7.826 -12.675
209 HG1 THR 21 HG1 THR 21 -0.022 -5.454 -13.370
210 1HG2 THR 21 1HG2 THR 21 -0.968 -6.688 -15.465
211 2HG2 THR 21 2HG2 THR 21 0.543 -7.023 -14.621
212 3HG2 THR 21 3HG2 THR 21 -0.593 -8.331 -14.945
213 MG THR 21 MG THR 21 -0.339 -7.347 -15.010
214 H TYR 22 H TYR 22 -3.755 -9.116 -14.354
215 HA TYR 22 HA TYR 22 -3.851 -10.739 -12.123
216 1HB TYR 22 1HB TYR 22 -5.552 -8.430 -11.732
217 2HB TYR 22 2HB TYR 22 -6.519 -9.905 -11.732
218 HD1 TYR 22 HD1 TYR 22 -5.229 -11.956 -10.460
219 HD2 TYR 22 HD2 TYR 22 -4.741 -7.765 -9.654
220 HE1 TYR 22 HE1 TYR 22 -4.430 -12.488 -8.175
221 HE2 TYR 22 HE2 TYR 22 -3.938 -8.298 -7.369
222 HH TYR 22 HH TYR 22 -4.204 -11.462 -6.021
223 QB TYR 22 QB TYR 22 -6.035 -9.168 -11.732
224 QD TYR 22 QD TYR 22 -4.985 -9.860 -10.057
225 QE TYR 22 QE TYR 22 -4.184 -10.393 -7.772
226 QR TYR 22 QR TYR 22 -4.585 -10.127 -8.914
227 H ALA 23 H ALA 23 -5.994 -9.453 -14.683
228 HA ALA 23 HA ALA 23 -7.579 -11.786 -14.992
229 1HB ALA 23 2HB ALA 23 -7.189 -10.698 -17.560
230 2HB ALA 23 1HB ALA 23 -7.123 -9.339 -16.438
231 3HB ALA 23 3HB ALA 23 -8.540 -10.391 -16.468
232 MB ALA 23 MB ALA 23 -7.617 -10.143 -16.822
233 H ASP 24 H ASP 24 -5.326 -10.880 -17.478
234 HA ASP 24 HA ASP 24 -4.862 -13.358 -18.606
235 1HB ASP 24 2HB ASP 24 -2.893 -12.476 -19.580
236 2HB ASP 24 1HB ASP 24 -2.570 -11.438 -18.190
237 QB ASP 24 QB ASP 24 -2.732 -11.957 -18.885
238 H VAL 25 H VAL 25 -2.619 -11.940 -16.185
239 HA VAL 25 HA VAL 25 -1.008 -14.138 -15.727
240 HB VAL 25 HB VAL 25 -0.901 -13.331 -13.300
241 1HG1 VAL 25 1HG1 VAL 25 0.514 -12.498 -15.244
242 2HG1 VAL 25 2HG1 VAL 25 -0.616 -11.152 -15.383
243 3HG1 VAL 25 3HG1 VAL 25 0.329 -11.362 -13.908
244 1HG2 VAL 25 1HG2 VAL 25 -3.268 -11.921 -14.293
245 2HG2 VAL 25 2HG2 VAL 25 -2.738 -12.186 -12.632
246 3HG2 VAL 25 3HG2 VAL 25 -2.089 -10.833 -13.560
247 MG1 VAL 25 MG1 VAL 25 0.076 -11.671 -14.845
248 MG2 VAL 25 MG2 VAL 25 -2.699 -11.647 -13.495
249 QG VAL 25 QG VAL 25 -1.312 -11.659 -14.170
250 H ARG 26 H ARG 26 -4.205 -13.574 -14.284
251 HA ARG 26 HA ARG 26 -4.208 -15.939 -12.650
252 1HB ARG 26 1HB ARG 26 -6.282 -14.066 -13.744
253 2HB ARG 26 2HB ARG 26 -6.839 -15.634 -13.163
254 1HG ARG 26 1HG ARG 26 -5.830 -15.257 -10.991
255 2HG ARG 26 2HG ARG 26 -5.067 -13.772 -11.555
256 1HD ARG 26 1HD ARG 26 -6.913 -12.596 -11.040
257 2HD ARG 26 2HD ARG 26 -7.889 -13.631 -12.085
258 HE ARG 26 HE ARG 26 -7.884 -15.217 -10.004
259 1HH1 ARG 26 1HH1 ARG 26 -6.618 -13.720 -7.962
260 2HH1 ARG 26 2HH1 ARG 26 -7.864 -12.723 -7.287
261 1HH2 ARG 26 1HH2 ARG 26 -9.996 -13.095 -9.996
262 2HH2 ARG 26 2HH2 ARG 26 -9.776 -12.369 -8.440
263 QB ARG 26 QB ARG 26 -6.561 -14.850 -13.453
264 QG ARG 26 QG ARG 26 -5.449 -14.515 -11.273
265 QD ARG 26 QD ARG 26 -7.401 -13.114 -11.562
266 QH1 ARG 26 QH1 ARG 26 -7.241 -13.221 -7.625
267 QH2 ARG 26 QH2 ARG 26 -9.886 -12.732 -9.218
268 H ASP 27 H ASP 27 -5.895 -15.545 -15.852
269 HA ASP 27 HA ASP 27 -6.593 -18.229 -16.270
270 1HB ASP 27 1HB ASP 27 -5.235 -16.424 -18.330
271 2HB ASP 27 2HB ASP 27 -6.187 -17.864 -18.691
272 QB ASP 27 QB ASP 27 -5.711 -17.144 -18.510
273 H GLU 28 H GLU 28 -3.361 -16.920 -16.050
274 HA GLU 28 HA GLU 28 -2.003 -19.185 -17.061
275 1HB GLU 28 2HB GLU 28 -0.029 -18.292 -16.084
276 2HB GLU 28 1HB GLU 28 -0.949 -17.445 -14.845
277 1HG GLU 28 1HG GLU 28 -1.194 -16.804 -17.796
278 2HG GLU 28 2HG GLU 28 -1.760 -15.837 -16.435
279 QB GLU 28 QB GLU 28 -0.489 -17.869 -15.465
280 QG GLU 28 QG GLU 28 -1.477 -16.321 -17.116
281 H ILE 29 H ILE 29 -3.252 -20.809 -16.257
282 HA ILE 29 HA ILE 29 -3.436 -22.658 -14.686
283 HB ILE 29 HB ILE 29 -2.917 -20.517 -12.572
284 1HG1 ILE 29 1HG1 ILE 29 -0.862 -20.830 -13.859
285 2HG1 ILE 29 2HG1 ILE 29 -0.684 -21.718 -12.347
286 1HG2 ILE 29 1HG2 ILE 29 -3.311 -23.527 -12.572
287 2HG2 ILE 29 2HG2 ILE 29 -2.421 -22.742 -11.270
288 3HG2 ILE 29 3HG2 ILE 29 -4.104 -22.311 -11.573
289 1HD1 ILE 29 1HD1 ILE 29 -1.598 -22.964 -14.952
290 2HD1 ILE 29 2HD1 ILE 29 0.058 -23.024 -14.351
291 3HD1 ILE 29 3HD1 ILE 29 -1.236 -23.809 -13.448
292 MG ILE 29 MG ILE 29 -3.279 -22.860 -11.805
293 MD ILE 29 MD ILE 29 -0.925 -23.265 -14.250
294 QG ILE 29 QG ILE 29 -0.773 -21.274 -13.103
295 H ASN 30 H ASN 30 -5.570 -21.346 -15.896
296 HA ASN 30 HA ASN 30 -7.594 -20.223 -15.592
297 1HB ASN 30 1HB ASN 30 -9.114 -21.687 -14.273
298 2HB ASN 30 2HB ASN 30 -8.217 -22.491 -15.560
299 2HD2 ASN 30 1HD2 ASN 30 -7.600 -24.536 -14.815
300 1HD2 ASN 30 2HD2 ASN 30 -6.969 -24.860 -13.273
301 QB ASN 30 QB ASN 30 -8.666 -22.089 -14.917
302 QD ASN 30 QD ASN 30 -7.285 -24.698 -14.044
303 H LYS 31 H LYS 31 -5.616 -19.093 -14.032
304 HA LYS 31 HA LYS 31 -6.052 -17.150 -12.580
305 1HB LYS 31 1HB LYS 31 -7.824 -19.025 -11.020
306 2HB LYS 31 2HB LYS 31 -7.477 -17.352 -10.597
307 1HG LYS 31 1HG LYS 31 -8.329 -17.518 -13.358
308 2HG LYS 31 2HG LYS 31 -9.526 -18.268 -12.304
309 1HD LYS 31 1HD LYS 31 -9.555 -16.242 -10.891
310 2HD LYS 31 2HD LYS 31 -8.365 -15.491 -11.954
311 1HE LYS 31 2HE LYS 31 -10.326 -16.343 -13.717
312 2HE LYS 31 1HE LYS 31 -10.128 -14.694 -13.125
313 1HZ LYS 31 1HZ LYS 31 -11.729 -16.773 -11.738
314 2HZ LYS 31 2HZ LYS 31 -11.645 -15.118 -11.358
315 3HZ LYS 31 3HZ LYS 31 -12.386 -15.625 -12.800
316 QB LYS 31 QB LYS 31 -7.651 -18.189 -10.808
317 QD LYS 31 QD LYS 31 -8.960 -15.867 -11.422
318 QG LYS 31 QG LYS 31 -8.927 -17.893 -12.831
319 QE LYS 31 QE LYS 31 -10.227 -15.519 -13.421
320 QZ LYS 31 QZ LYS 31 -11.920 -15.839 -11.965
321 H ARG 32 H ARG 32 -3.702 -18.573 -12.616
322 HA ARG 32 HA ARG 32 -2.904 -18.304 -9.852
323 1HB ARG 32 1HB ARG 32 -3.869 -20.808 -10.506
324 2HB ARG 32 2HB ARG 32 -2.136 -20.985 -10.769
325 1HG ARG 32 1HG ARG 32 -1.782 -19.936 -8.492
326 2HG ARG 32 2HG ARG 32 -3.521 -20.075 -8.241
327 1HD ARG 32 1HD ARG 32 -3.391 -22.508 -8.584
328 2HD ARG 32 2HD ARG 32 -1.655 -22.383 -8.863
329 HE ARG 32 HE ARG 32 -1.626 -22.692 -6.507
330 1HH1 ARG 32 1HH1 ARG 32 -4.675 -22.046 -6.369
331 2HH1 ARG 32 2HH1 ARG 32 -4.646 -20.709 -5.267
332 1HH2 ARG 32 1HH2 ARG 32 -1.228 -20.199 -5.566
333 2HH2 ARG 32 2HH2 ARG 32 -2.693 -19.664 -4.812
334 QB ARG 32 QB ARG 32 -3.003 -20.896 -10.638
335 QG ARG 32 QG ARG 32 -2.652 -20.005 -8.366
336 QD ARG 32 QD ARG 32 -2.523 -22.445 -8.723
337 QH1 ARG 32 QH1 ARG 32 -4.660 -21.378 -5.818
338 QH2 ARG 32 QH2 ARG 32 -1.961 -19.931 -5.189
339 H GLY 33 H GLY 33 -0.596 -20.139 -10.459
340 1HA GLY 33 1HA GLY 33 1.618 -19.690 -11.159
341 2HA GLY 33 2HA GLY 33 0.843 -19.667 -12.743
342 QA GLY 33 QA GLY 33 1.230 -19.679 -11.951
343 H ARG 34 H ARG 34 1.604 -17.571 -9.959
344 HA ARG 34 HA ARG 34 0.921 -15.102 -11.201
345 1HB ARG 34 1HB ARG 34 2.481 -14.080 -9.551
346 2HB ARG 34 2HB ARG 34 1.389 -15.246 -8.803
347 1HG ARG 34 2HG ARG 34 3.337 -16.949 -9.334
348 2HG ARG 34 1HG ARG 34 3.427 -15.917 -7.906
349 1HD ARG 34 1HD ARG 34 4.860 -15.618 -10.542
350 2HD ARG 34 2HD ARG 34 4.635 -14.232 -9.475
351 HE ARG 34 HE ARG 34 6.442 -15.106 -8.258
352 1HH1 ARG 34 1HH1 ARG 34 4.508 -17.320 -7.316
353 2HH1 ARG 34 2HH1 ARG 34 5.456 -18.730 -7.651
354 1HH2 ARG 34 1HH2 ARG 34 7.703 -17.059 -9.697
355 2HH2 ARG 34 2HH2 ARG 34 7.265 -18.582 -8.997
356 QB ARG 34 QB ARG 34 1.935 -14.663 -9.177
357 QG ARG 34 QG ARG 34 3.382 -16.433 -8.620
358 QD ARG 34 QD ARG 34 4.748 -14.925 -10.009
359 QH1 ARG 34 QH1 ARG 34 4.982 -18.025 -7.484
360 QH2 ARG 34 QH2 ARG 34 7.484 -17.821 -9.347
No H/Q in entry = 360
Start of MODEL 3
1 H1 MET 1 H1 MET 1 -20.667 4.636 3.038
2 H2 MET 1 H2 MET 1 -21.264 3.509 1.921
3 H3 MET 1 H3 MET 1 -22.217 4.839 2.377
4 HA MET 1 HA MET 1 -23.064 3.751 4.089
5 1HB MET 1 2HB MET 1 -22.747 1.327 4.165
6 2HB MET 1 1HB MET 1 -21.294 1.462 3.173
7 1HG MET 1 1HG MET 1 -23.859 2.628 2.145
8 2HG MET 1 2HG MET 1 -22.498 1.960 1.246
9 1HE MET 1 1HE MET 1 -24.576 1.463 0.060
10 2HE MET 1 2HE MET 1 -24.914 -0.256 -0.119
11 3HE MET 1 3HE MET 1 -25.987 0.763 0.848
12 QB MET 1 QB MET 1 -22.021 1.394 3.669
13 QG MET 1 QG MET 1 -23.179 2.294 1.695
14 ME MET 1 ME MET 1 -25.159 0.657 0.263
15 H SER 2 H SER 2 -19.893 2.117 4.226
16 HA SER 2 HA SER 2 -19.645 2.349 7.042
17 1HB SER 2 1HB SER 2 -17.769 1.778 4.793
18 2HB SER 2 2HB SER 2 -17.058 2.231 6.340
19 HG SER 2 HG SER 2 -19.062 0.245 6.046
20 QB SER 2 QB SER 2 -17.414 2.004 5.567
21 H TRP 3 H TRP 3 -18.483 3.850 8.339
22 HA TRP 3 HA TRP 3 -18.223 6.536 7.089
23 1HB TRP 3 1HB TRP 3 -19.231 5.608 9.581
24 2HB TRP 3 2HB TRP 3 -17.787 6.557 9.931
25 HD1 TRP 3 HD1 TRP 3 -21.092 7.295 10.155
26 HE1 TRP 3 HE1 TRP 3 -21.768 9.613 9.250
27 HE3 TRP 3 HE3 TRP 3 -17.036 8.314 7.227
28 HZ2 TRP 3 HZ2 TRP 3 -20.726 11.633 7.513
29 HZ3 TRP 3 HZ3 TRP 3 -16.902 10.439 5.959
30 HH2 TRP 3 HH2 TRP 3 -18.740 12.098 6.097
31 QB TRP 3 QB TRP 3 -18.509 6.082 9.756
32 H ALA 4 H ALA 4 -16.412 7.525 9.155
33 HA ALA 4 HA ALA 4 -14.096 7.621 9.614
34 1HB ALA 4 2HB ALA 4 -13.376 5.014 8.521
35 2HB ALA 4 1HB ALA 4 -14.723 4.909 9.655
36 3HB ALA 4 3HB ALA 4 -13.195 5.628 10.165
37 MB ALA 4 MB ALA 4 -13.764 5.184 9.447
38 H LEU 5 H LEU 5 -15.126 8.563 7.065
39 HA LEU 5 HA LEU 5 -13.674 7.602 4.829
40 1HB LEU 5 1HB LEU 5 -15.566 9.398 4.974
41 2HB LEU 5 2HB LEU 5 -14.238 10.536 5.209
42 HG LEU 5 HG LEU 5 -14.006 8.573 2.970
43 1HD1 LEU 5 1HD1 LEU 5 -16.328 9.444 2.797
44 2HD1 LEU 5 2HD1 LEU 5 -15.695 11.090 2.833
45 3HD1 LEU 5 3HD1 LEU 5 -15.307 10.025 1.482
46 1HD2 LEU 5 1HD2 LEU 5 -12.343 10.443 3.789
47 2HD2 LEU 5 2HD2 LEU 5 -12.599 10.204 2.060
48 3HD2 LEU 5 3HD2 LEU 5 -13.419 11.520 2.899
49 MD1 LEU 5 MD1 LEU 5 -15.777 10.186 2.371
50 MD2 LEU 5 MD2 LEU 5 -12.787 10.722 2.916
51 QB LEU 5 QB LEU 5 -14.902 9.967 5.091
52 QD LEU 5 QD LEU 5 -14.282 10.454 2.643
53 H GLU 6 H GLU 6 -12.715 9.742 7.456
54 HA GLU 6 HA GLU 6 -10.372 10.868 6.354
55 1HB GLU 6 1HB GLU 6 -10.947 9.962 9.190
56 2HB GLU 6 2HB GLU 6 -9.546 10.930 8.732
57 1HG GLU 6 1HG GLU 6 -11.235 12.555 7.664
58 2HG GLU 6 2HG GLU 6 -12.466 11.686 8.581
59 QB GLU 6 QB GLU 6 -10.247 10.446 8.961
60 QG GLU 6 QG GLU 6 -11.850 12.121 8.122
61 H MET 7 H MET 7 -10.731 7.787 8.131
62 HA MET 7 HA MET 7 -7.968 7.012 7.648
63 1HB MET 7 1HB MET 7 -10.121 6.093 9.251
64 2HB MET 7 2HB MET 7 -9.696 4.761 8.175
65 1HG MET 7 1HG MET 7 -7.482 6.265 9.513
66 2HG MET 7 2HG MET 7 -8.411 5.114 10.473
67 1HE MET 7 1HE MET 7 -8.237 3.130 10.693
68 2HE MET 7 2HE MET 7 -8.609 2.169 9.264
69 3HE MET 7 3HE MET 7 -7.031 2.019 10.049
70 QB MET 7 QB MET 7 -9.909 5.427 8.713
71 QG MET 7 QG MET 7 -7.947 5.689 9.993
72 ME MET 7 ME MET 7 -7.959 2.439 10.002
73 H ALA 8 H ALA 8 -11.059 6.545 6.074
74 HA ALA 8 HA ALA 8 -10.436 4.398 4.343
75 1HB ALA 8 1HB ALA 8 -12.613 6.008 4.704
76 2HB ALA 8 2HB ALA 8 -12.021 6.590 3.148
77 3HB ALA 8 3HB ALA 8 -12.430 4.887 3.355
78 MB ALA 8 MB ALA 8 -12.355 5.828 3.736
79 H ASP 9 H ASP 9 -9.557 7.816 4.156
80 HA ASP 9 HA ASP 9 -8.757 7.995 1.466
81 1HB ASP 9 1HB ASP 9 -8.623 9.690 3.549
82 2HB ASP 9 2HB ASP 9 -6.934 9.182 3.503
83 QB ASP 9 QB ASP 9 -7.779 9.436 3.526
84 H THR 10 H THR 10 -6.635 7.134 4.225
85 HA THR 10 HA THR 10 -4.366 6.394 2.760
86 HB THR 10 HB THR 10 -4.869 4.499 4.917
87 HG1 THR 10 HG1 THR 10 -5.149 7.269 5.452
88 1HG2 THR 10 1HG2 THR 10 -2.742 5.862 3.813
89 2HG2 THR 10 2HG2 THR 10 -2.979 6.705 5.343
90 3HG2 THR 10 3HG2 THR 10 -2.693 4.964 5.330
91 MG THR 10 MG THR 10 -2.805 5.844 4.829
92 H PHE 11 H PHE 11 -7.278 4.486 3.461
93 HA PHE 11 HA PHE 11 -6.413 2.014 2.365
94 1HB PHE 11 1HB PHE 11 -8.621 2.608 3.613
95 2HB PHE 11 2HB PHE 11 -9.228 3.035 2.011
96 HD1 PHE 11 HD1 PHE 11 -7.191 0.279 3.561
97 HD2 PHE 11 HD2 PHE 11 -10.368 1.360 0.881
98 HE1 PHE 11 HE1 PHE 11 -7.591 -2.119 3.066
99 HE2 PHE 11 HE2 PHE 11 -10.768 -1.037 0.386
100 HZ PHE 11 HZ PHE 11 -9.379 -2.777 1.479
101 QB PHE 11 QB PHE 11 -8.925 2.821 2.812
102 QD PHE 11 QD PHE 11 -8.780 0.819 2.221
103 QE PHE 11 QE PHE 11 -9.179 -1.578 1.726
104 QR PHE 11 QR PHE 11 -9.059 -0.859 1.875
105 H LEU 12 H LEU 12 -7.906 4.844 0.813
106 HA LEU 12 HA LEU 12 -8.108 3.752 -1.810
107 1HB LEU 12 1HB LEU 12 -8.135 6.443 -0.584
108 2HB LEU 12 2HB LEU 12 -7.591 6.406 -2.261
109 HG LEU 12 HG LEU 12 -10.104 6.684 -1.922
110 1HD1 LEU 12 1HD1 LEU 12 -8.656 5.386 -3.868
111 2HD1 LEU 12 2HD1 LEU 12 -9.852 4.166 -3.428
112 3HD1 LEU 12 3HD1 LEU 12 -10.376 5.758 -3.977
113 1HD2 LEU 12 1HD2 LEU 12 -9.707 4.487 -0.222
114 2HD2 LEU 12 2HD2 LEU 12 -11.261 5.148 -0.734
115 3HD2 LEU 12 3HD2 LEU 12 -10.530 3.818 -1.631
116 MD1 LEU 12 MD1 LEU 12 -9.628 5.103 -3.758
117 MD2 LEU 12 MD2 LEU 12 -10.499 4.484 -0.862
118 QB LEU 12 QB LEU 12 -7.863 6.425 -1.423
119 QD LEU 12 QD LEU 12 -10.064 4.794 -2.310
120 H ASP 13 H ASP 13 -5.449 5.258 -0.042
121 HA ASP 13 HA ASP 13 -3.644 5.515 -2.256
122 1HB ASP 13 1HB ASP 13 -3.573 5.968 0.547
123 2HB ASP 13 2HB ASP 13 -2.226 4.894 0.169
124 QB ASP 13 QB ASP 13 -2.900 5.431 0.358
125 H ASN 14 H ASN 14 -4.372 2.830 -0.055
126 HA ASN 14 HA ASN 14 -2.274 1.154 -1.263
127 1HB ASN 14 1HB ASN 14 -2.754 0.968 1.153
128 2HB ASN 14 2HB ASN 14 -4.413 0.494 0.786
129 2HD2 ASN 14 1HD2 ASN 14 -4.452 -1.708 1.361
130 1HD2 ASN 14 2HD2 ASN 14 -3.369 -2.870 0.763
131 QB ASN 14 QB ASN 14 -3.584 0.731 0.969
132 QD ASN 14 QD ASN 14 -3.911 -2.289 1.062
133 H MET 15 H MET 15 -5.069 2.174 -2.454
134 HA MET 15 HA MET 15 -6.120 -0.449 -3.337
135 1HB MET 15 1HB MET 15 -7.104 2.367 -3.351
136 2HB MET 15 2HB MET 15 -7.673 1.311 -4.644
137 1HG MET 15 1HG MET 15 -8.213 -0.390 -2.796
138 2HG MET 15 2HG MET 15 -7.994 0.943 -1.663
139 1HE MET 15 1HE MET 15 -9.234 -0.138 -4.851
140 2HE MET 15 2HE MET 15 -10.971 -0.244 -4.582
141 3HE MET 15 3HE MET 15 -10.283 1.164 -5.404
142 QB MET 15 QB MET 15 -7.389 1.839 -3.998
143 QG MET 15 QG MET 15 -8.104 0.277 -2.230
144 ME MET 15 ME MET 15 -10.163 0.261 -4.946
145 H ARG 16 H ARG 16 -3.717 -0.384 -4.325
146 HA ARG 16 HA ARG 16 -3.641 0.971 -6.939
147 1HB ARG 16 1HB ARG 16 -1.674 -0.648 -5.327
148 2HB ARG 16 2HB ARG 16 -1.382 -0.327 -7.038
149 1HG ARG 16 1HG ARG 16 -1.274 2.004 -6.709
150 2HG ARG 16 2HG ARG 16 -2.091 1.913 -5.148
151 1HD ARG 16 1HD ARG 16 0.656 0.758 -5.708
152 2HD ARG 16 2HD ARG 16 0.370 2.319 -4.940
153 HE ARG 16 HE ARG 16 -1.099 0.420 -3.462
154 1HH1 ARG 16 1HH1 ARG 16 2.025 -0.014 -4.625
155 2HH1 ARG 16 2HH1 ARG 16 2.767 -0.198 -3.070
156 1HH2 ARG 16 1HH2 ARG 16 -0.095 0.663 -1.310
157 2HH2 ARG 16 2HH2 ARG 16 1.566 0.188 -1.194
158 QB ARG 16 QB ARG 16 -1.528 -0.487 -6.182
159 QG ARG 16 QG ARG 16 -1.682 1.959 -5.928
160 QD ARG 16 QD ARG 16 0.513 1.538 -5.324
161 QH1 ARG 16 QH1 ARG 16 2.396 -0.106 -3.847
162 QH2 ARG 16 QH2 ARG 16 0.735 0.426 -1.252
163 H VAL 17 H VAL 17 -5.658 -0.449 -7.364
164 HA VAL 17 HA VAL 17 -6.326 -1.923 -9.126
165 HB VAL 17 HB VAL 17 -3.700 -2.305 -9.437
166 1HG1 VAL 17 1HG1 VAL 17 -3.882 -3.953 -7.385
167 2HG1 VAL 17 2HG1 VAL 17 -4.507 -5.075 -8.594
168 3HG1 VAL 17 3HG1 VAL 17 -2.890 -4.393 -8.776
169 1HG2 VAL 17 1HG2 VAL 17 -5.484 -2.717 -11.104
170 2HG2 VAL 17 2HG2 VAL 17 -4.267 -3.994 -11.129
171 3HG2 VAL 17 3HG2 VAL 17 -5.821 -4.273 -10.345
172 MG1 VAL 17 MG1 VAL 17 -3.760 -4.474 -8.252
173 MG2 VAL 17 MG2 VAL 17 -5.191 -3.662 -10.859
174 QG VAL 17 QG VAL 17 -4.475 -4.068 -9.556
175 H GLY 18 H GLY 18 -5.783 -2.391 -5.867
176 1HA GLY 18 1HA GLY 18 -6.439 -5.053 -5.337
177 2HA GLY 18 2HA GLY 18 -6.987 -3.711 -4.330
178 QA GLY 18 QA GLY 18 -6.713 -4.382 -4.834
179 1HB PRO 19 1HB PRO 19 -11.085 -7.858 -6.084
180 2HB PRO 19 2HB PRO 19 -9.969 -7.660 -7.447
181 1HG PRO 19 2HG PRO 19 -8.431 -8.674 -6.054
182 2HG PRO 19 1HG PRO 19 -9.355 -8.281 -4.595
183 1HD PRO 19 1HD PRO 19 -7.852 -6.575 -4.246
184 2HD PRO 19 2HD PRO 19 -7.156 -6.778 -5.867
185 QB PRO 19 QB PRO 19 -10.527 -7.759 -6.766
186 QG PRO 19 QG PRO 19 -8.893 -8.477 -5.325
187 QD PRO 19 QD PRO 19 -7.504 -6.677 -5.056
188 H ARG 20 H ARG 20 -11.312 -3.625 -5.824
189 HA ARG 20 HA ARG 20 -12.895 -4.635 -3.494
190 1HB ARG 20 2HB ARG 20 -12.849 -2.337 -2.632
191 2HB ARG 20 1HB ARG 20 -11.972 -1.799 -4.065
192 1HG ARG 20 1HG ARG 20 -10.184 -3.516 -3.444
193 2HG ARG 20 2HG ARG 20 -10.319 -2.128 -2.364
194 1HD ARG 20 1HD ARG 20 -11.177 -3.377 -0.639
195 2HD ARG 20 2HD ARG 20 -12.020 -4.483 -1.723
196 HE ARG 20 HE ARG 20 -9.051 -4.618 -1.399
197 1HH1 ARG 20 1HH1 ARG 20 -8.938 -6.735 -2.749
198 2HH1 ARG 20 2HH1 ARG 20 -9.811 -8.038 -2.014
199 1HH2 ARG 20 1HH2 ARG 20 -11.601 -5.980 0.126
200 2HH2 ARG 20 2HH2 ARG 20 -11.318 -7.610 -0.387
201 QB ARG 20 QB ARG 20 -12.410 -2.068 -3.348
202 QG ARG 20 QG ARG 20 -10.251 -2.822 -2.904
203 QD ARG 20 QD ARG 20 -11.598 -3.930 -1.181
204 QH1 ARG 20 QH1 ARG 20 -9.375 -7.386 -2.382
205 QH2 ARG 20 QH2 ARG 20 -11.459 -6.795 -0.131
206 H THR 21 H THR 21 -14.331 -1.911 -3.667
207 HA THR 21 HA THR 21 -15.693 -1.797 -6.184
208 HB THR 21 HB THR 21 -17.803 -2.735 -4.487
209 HG1 THR 21 HG1 THR 21 -17.080 -4.814 -4.111
210 1HG2 THR 21 1HG2 THR 21 -16.497 -3.627 -7.053
211 2HG2 THR 21 2HG2 THR 21 -17.840 -4.526 -6.350
212 3HG2 THR 21 3HG2 THR 21 -18.061 -2.845 -6.833
213 MG THR 21 MG THR 21 -17.466 -3.666 -6.745
214 H TYR 22 H TYR 22 -18.104 -0.783 -5.580
215 HA TYR 22 HA TYR 22 -19.200 1.101 -4.719
216 1HB TYR 22 1HB TYR 22 -17.408 0.372 -2.398
217 2HB TYR 22 2HB TYR 22 -18.472 1.775 -2.339
218 HD1 TYR 22 HD1 TYR 22 -19.655 -0.942 -4.406
219 HD2 TYR 22 HD2 TYR 22 -19.566 0.555 -0.380
220 HE1 TYR 22 HE1 TYR 22 -21.562 -2.411 -3.819
221 HE2 TYR 22 HE2 TYR 22 -21.473 -0.917 0.208
222 HH TYR 22 HH TYR 22 -22.669 -2.747 -0.498
223 QB TYR 22 QB TYR 22 -17.940 1.074 -2.369
224 QD TYR 22 QD TYR 22 -19.610 -0.194 -2.393
225 QE TYR 22 QE TYR 22 -21.518 -1.664 -1.805
226 QR TYR 22 QR TYR 22 -20.564 -0.929 -2.099
227 H ALA 23 H ALA 23 -16.219 1.118 -5.906
228 HA ALA 23 HA ALA 23 -15.167 3.632 -4.969
229 1HB ALA 23 1HB ALA 23 -14.484 1.643 -7.013
230 2HB ALA 23 3HB ALA 23 -13.419 2.627 -6.009
231 3HB ALA 23 2HB ALA 23 -14.105 3.299 -7.487
232 MB ALA 23 MB ALA 23 -14.002 2.523 -6.836
233 H ASP 24 H ASP 24 -17.262 2.651 -7.551
234 HA ASP 24 HA ASP 24 -17.395 5.337 -8.726
235 1HB ASP 24 1HB ASP 24 -18.820 2.729 -9.272
236 2HB ASP 24 2HB ASP 24 -19.285 4.227 -10.079
237 QB ASP 24 QB ASP 24 -19.052 3.478 -9.676
238 H VAL 25 H VAL 25 -19.723 3.167 -7.081
239 HA VAL 25 HA VAL 25 -21.883 4.936 -6.879
240 HB VAL 25 HB VAL 25 -21.060 3.187 -4.562
241 1HG1 VAL 25 1HG1 VAL 25 -23.128 4.611 -4.456
242 2HG1 VAL 25 2HG1 VAL 25 -23.749 3.731 -5.852
243 3HG1 VAL 25 3HG1 VAL 25 -23.458 2.883 -4.334
244 1HG2 VAL 25 1HG2 VAL 25 -21.488 2.415 -7.347
245 2HG2 VAL 25 2HG2 VAL 25 -20.905 1.445 -5.995
246 3HG2 VAL 25 3HG2 VAL 25 -22.637 1.634 -6.260
247 MG1 VAL 25 MG1 VAL 25 -23.445 3.741 -4.881
248 MG2 VAL 25 MG2 VAL 25 -21.677 1.831 -6.534
249 QG VAL 25 QG VAL 25 -22.561 2.786 -5.708
250 H ARG 26 H ARG 26 -19.109 4.618 -4.645
251 HA ARG 26 HA ARG 26 -19.988 6.808 -2.962
252 1HB ARG 26 1HB ARG 26 -17.357 5.350 -3.273
253 2HB ARG 26 2HB ARG 26 -17.565 6.686 -2.140
254 1HG ARG 26 1HG ARG 26 -19.767 4.839 -1.879
255 2HG ARG 26 2HG ARG 26 -18.237 3.972 -1.722
256 1HD ARG 26 1HD ARG 26 -19.072 4.879 0.456
257 2HD ARG 26 2HD ARG 26 -17.488 5.511 0.007
258 HE ARG 26 HE ARG 26 -18.733 7.571 -0.809
259 1HH1 ARG 26 1HH1 ARG 26 -21.396 6.039 -0.181
260 2HH1 ARG 26 2HH1 ARG 26 -21.906 6.914 1.224
261 1HH2 ARG 26 1HH2 ARG 26 -18.829 8.431 1.723
262 2HH2 ARG 26 2HH2 ARG 26 -20.452 8.265 2.304
263 QB ARG 26 QB ARG 26 -17.461 6.018 -2.706
264 QG ARG 26 QG ARG 26 -19.002 4.405 -1.801
265 QD ARG 26 QD ARG 26 -18.280 5.195 0.232
266 QH1 ARG 26 QH1 ARG 26 -21.651 6.477 0.522
267 QH2 ARG 26 QH2 ARG 26 -19.641 8.348 2.013
268 H ASP 27 H ASP 27 -17.752 6.538 -5.716
269 HA ASP 27 HA ASP 27 -16.736 9.220 -5.516
270 1HB ASP 27 1HB ASP 27 -16.752 7.078 -7.588
271 2HB ASP 27 2HB ASP 27 -16.468 8.726 -8.146
272 QB ASP 27 QB ASP 27 -16.610 7.902 -7.867
273 H GLU 28 H GLU 28 -19.781 7.982 -6.477
274 HA GLU 28 HA GLU 28 -20.511 10.020 -8.383
275 1HB GLU 28 1HB GLU 28 -21.714 7.716 -7.329
276 2HB GLU 28 2HB GLU 28 -22.748 9.041 -6.793
277 1HG GLU 28 1HG GLU 28 -22.716 9.893 -9.184
278 2HG GLU 28 2HG GLU 28 -21.938 8.375 -9.633
279 QB GLU 28 QB GLU 28 -22.231 8.379 -7.061
280 QG GLU 28 QG GLU 28 -22.327 9.134 -9.408
281 H ILE 29 H ILE 29 -20.565 9.797 -4.864
282 HA ILE 29 HA ILE 29 -22.137 12.201 -4.514
283 HB ILE 29 HB ILE 29 -21.771 10.297 -2.822
284 1HG1 ILE 29 2HG1 ILE 29 -22.055 13.180 -2.448
285 2HG1 ILE 29 1HG1 ILE 29 -21.354 12.396 -1.031
286 1HG2 ILE 29 1HG2 ILE 29 -19.116 11.051 -3.151
287 2HG2 ILE 29 2HG2 ILE 29 -19.556 11.764 -1.598
288 3HG2 ILE 29 3HG2 ILE 29 -19.745 10.030 -1.857
289 1HD1 ILE 29 1HD1 ILE 29 -23.256 10.637 -1.376
290 2HD1 ILE 29 2HD1 ILE 29 -23.663 12.191 -0.645
291 3HD1 ILE 29 3HD1 ILE 29 -24.016 11.897 -2.348
292 MG ILE 29 MG ILE 29 -19.472 10.949 -2.202
293 MD ILE 29 MD ILE 29 -23.645 11.575 -1.456
294 QG ILE 29 QG ILE 29 -21.704 12.788 -1.739
295 H ASN 30 H ASN 30 -19.412 12.153 -6.039
296 HA ASN 30 HA ASN 30 -18.155 14.461 -4.665
297 1HB ASN 30 1HB ASN 30 -16.857 12.317 -5.499
298 2HB ASN 30 2HB ASN 30 -16.968 13.112 -7.070
299 2HD2 ASN 30 1HD2 ASN 30 -15.010 12.889 -4.347
300 1HD2 ASN 30 2HD2 ASN 30 -14.177 14.359 -4.501
301 QB ASN 30 QB ASN 30 -16.912 12.714 -6.285
302 QD ASN 30 QD ASN 30 -14.593 13.624 -4.424
303 H LYS 31 H LYS 31 -18.706 13.424 -8.048
304 HA LYS 31 HA LYS 31 -18.793 16.121 -9.048
305 1HB LYS 31 1HB LYS 31 -18.254 14.261 -10.535
306 2HB LYS 31 2HB LYS 31 -19.816 13.510 -10.212
307 1HG LYS 31 1HG LYS 31 -20.985 15.070 -11.475
308 2HG LYS 31 2HG LYS 31 -19.755 16.317 -11.261
309 1HD LYS 31 1HD LYS 31 -19.104 13.801 -12.775
310 2HD LYS 31 2HD LYS 31 -19.945 15.126 -13.580
311 1HE LYS 31 1HE LYS 31 -17.612 15.959 -11.978
312 2HE LYS 31 2HE LYS 31 -17.220 14.936 -13.361
313 1HZ LYS 31 1HZ LYS 31 -18.858 17.411 -13.451
314 2HZ LYS 31 2HZ LYS 31 -17.249 17.275 -13.967
315 3HZ LYS 31 3HZ LYS 31 -18.475 16.427 -14.781
316 QB LYS 31 QB LYS 31 -19.035 13.885 -10.373
317 QD LYS 31 QD LYS 31 -19.524 14.463 -13.178
318 QG LYS 31 QG LYS 31 -20.370 15.694 -11.368
319 QE LYS 31 QE LYS 31 -17.416 15.448 -12.669
320 QZ LYS 31 QZ LYS 31 -18.194 17.038 -14.066
321 H ARG 32 H ARG 32 -21.120 13.982 -7.585
322 HA ARG 32 HA ARG 32 -23.313 15.884 -8.299
323 1HB ARG 32 1HB ARG 32 -23.198 13.055 -8.288
324 2HB ARG 32 2HB ARG 32 -24.232 13.514 -6.935
325 1HG ARG 32 1HG ARG 32 -25.877 14.257 -8.300
326 2HG ARG 32 2HG ARG 32 -24.737 15.091 -9.356
327 1HD ARG 32 1HD ARG 32 -25.235 13.464 -10.857
328 2HD ARG 32 2HD ARG 32 -24.172 12.450 -9.880
329 HE ARG 32 HE ARG 32 -26.845 12.441 -8.803
330 1HH1 ARG 32 1HH1 ARG 32 -24.713 11.139 -11.178
331 2HH1 ARG 32 2HH1 ARG 32 -25.704 9.756 -11.499
332 1HH2 ARG 32 1HH2 ARG 32 -28.202 10.695 -9.287
333 2HH2 ARG 32 2HH2 ARG 32 -27.677 9.504 -10.430
334 QB ARG 32 QB ARG 32 -23.715 13.284 -7.611
335 QG ARG 32 QG ARG 32 -25.307 14.674 -8.828
336 QD ARG 32 QD ARG 32 -24.703 12.957 -10.369
337 QH1 ARG 32 QH1 ARG 32 -25.208 10.447 -11.339
338 QH2 ARG 32 QH2 ARG 32 -27.939 10.100 -9.858
339 H GLY 33 H GLY 33 -21.458 16.668 -6.324
340 1HA GLY 33 1HA GLY 33 -23.275 16.955 -4.031
341 2HA GLY 33 2HA GLY 33 -21.773 16.099 -3.680
342 QA GLY 33 QA GLY 33 -22.524 16.527 -3.855
343 H ARG 34 H ARG 34 -21.802 18.600 -6.105
344 HA ARG 34 HA ARG 34 -19.795 20.108 -4.628
345 1HB ARG 34 1HB ARG 34 -20.314 19.831 -7.271
346 2HB ARG 34 2HB ARG 34 -21.143 21.358 -6.961
347 1HG ARG 34 1HG ARG 34 -19.152 22.391 -6.153
348 2HG ARG 34 2HG ARG 34 -18.312 20.845 -6.033
349 1HD ARG 34 1HD ARG 34 -17.749 20.849 -8.229
350 2HD ARG 34 2HD ARG 34 -19.339 21.427 -8.727
351 HE ARG 34 HE ARG 34 -18.186 23.653 -7.569
352 1HH1 ARG 34 1HH1 ARG 34 -17.818 21.646 -10.310
353 2HH1 ARG 34 2HH1 ARG 34 -16.618 22.644 -11.062
354 1HH2 ARG 34 1HH2 ARG 34 -16.387 24.839 -8.387
355 2HH2 ARG 34 2HH2 ARG 34 -15.808 24.452 -9.973
356 QB ARG 34 QB ARG 34 -20.728 20.595 -7.116
357 QG ARG 34 QG ARG 34 -18.732 21.618 -6.093
358 QD ARG 34 QD ARG 34 -18.544 21.138 -8.478
359 QH1 ARG 34 QH1 ARG 34 -17.218 22.145 -10.686
360 QH2 ARG 34 QH2 ARG 34 -16.097 24.646 -9.180
No H/Q in entry = 360
Start of MODEL 4
1 H1 MET 1 H1 MET 1 -11.893 13.053 6.300
2 H2 MET 1 H2 MET 1 -10.638 14.183 6.152
3 H3 MET 1 H3 MET 1 -11.352 13.905 7.667
4 HA MET 1 HA MET 1 -12.162 15.973 6.766
5 1HB MET 1 1HB MET 1 -12.616 14.196 4.395
6 2HB MET 1 2HB MET 1 -13.716 15.551 4.659
7 1HG MET 1 1HG MET 1 -11.692 17.048 4.848
8 2HG MET 1 2HG MET 1 -10.705 15.676 4.345
9 1HE MET 1 1HE MET 1 -10.959 14.361 2.637
10 2HE MET 1 2HE MET 1 -11.997 14.489 1.219
11 3HE MET 1 3HE MET 1 -10.433 15.316 1.252
12 QB MET 1 QB MET 1 -13.166 14.874 4.527
13 QG MET 1 QG MET 1 -11.199 16.362 4.597
14 ME MET 1 ME MET 1 -11.130 14.722 1.703
15 H SER 2 H SER 2 -13.158 12.944 7.702
16 HA SER 2 HA SER 2 -15.598 13.988 8.884
17 1HB SER 2 1HB SER 2 -16.076 13.301 6.371
18 2HB SER 2 2HB SER 2 -16.096 11.674 7.044
19 HG SER 2 HG SER 2 -18.117 12.284 7.394
20 QB SER 2 QB SER 2 -16.086 12.488 6.708
21 H TRP 3 H TRP 3 -16.846 11.391 9.169
22 HA TRP 3 HA TRP 3 -15.414 10.397 11.441
23 1HB TRP 3 1HB TRP 3 -17.600 9.134 9.772
24 2HB TRP 3 2HB TRP 3 -17.028 8.491 11.309
25 HD1 TRP 3 HD1 TRP 3 -19.942 9.210 11.308
26 HE1 TRP 3 HE1 TRP 3 -20.891 11.202 12.631
27 HE3 TRP 3 HE3 TRP 3 -15.714 12.072 11.814
28 HZ2 TRP 3 HZ2 TRP 3 -19.999 13.663 13.754
29 HZ3 TRP 3 HZ3 TRP 3 -15.809 14.226 13.018
30 HH2 TRP 3 HH2 TRP 3 -17.943 15.029 13.987
31 QB TRP 3 QB TRP 3 -17.314 8.813 10.540
32 H ALA 4 H ALA 4 -16.310 8.003 9.051
33 HA ALA 4 HA ALA 4 -13.647 6.804 9.293
34 1HB ALA 4 2HB ALA 4 -15.596 5.723 7.331
35 2HB ALA 4 1HB ALA 4 -16.104 5.716 9.019
36 3HB ALA 4 3HB ALA 4 -14.628 4.879 8.539
37 MB ALA 4 MB ALA 4 -15.443 5.439 8.296
38 H LEU 5 H LEU 5 -14.398 9.391 7.620
39 HA LEU 5 HA LEU 5 -13.578 8.584 4.927
40 1HB LEU 5 1HB LEU 5 -14.986 10.716 5.849
41 2HB LEU 5 2HB LEU 5 -13.384 11.439 5.706
42 HG LEU 5 HG LEU 5 -13.654 9.931 3.374
43 1HD1 LEU 5 1HD1 LEU 5 -16.272 11.086 4.273
44 2HD1 LEU 5 2HD1 LEU 5 -15.865 11.123 2.557
45 3HD1 LEU 5 3HD1 LEU 5 -15.953 9.583 3.410
46 1HD2 LEU 5 1HD2 LEU 5 -12.700 12.273 3.820
47 2HD2 LEU 5 2HD2 LEU 5 -13.539 12.049 2.285
48 3HD2 LEU 5 3HD2 LEU 5 -14.350 12.865 3.623
49 MD1 LEU 5 MD1 LEU 5 -16.030 10.597 3.413
50 MD2 LEU 5 MD2 LEU 5 -13.530 12.395 3.242
51 QB LEU 5 QB LEU 5 -14.185 11.078 5.777
52 QD LEU 5 QD LEU 5 -14.780 11.496 3.328
53 H GLU 6 H GLU 6 -12.100 10.498 7.565
54 HA GLU 6 HA GLU 6 -9.598 10.966 6.355
55 1HB GLU 6 2HB GLU 6 -10.303 11.949 8.527
56 2HB GLU 6 1HB GLU 6 -8.713 11.191 8.636
57 1HG GLU 6 1HG GLU 6 -11.009 9.407 9.202
58 2HG GLU 6 2HG GLU 6 -9.457 9.544 10.031
59 QB GLU 6 QB GLU 6 -9.508 11.570 8.581
60 QG GLU 6 QG GLU 6 -10.233 9.475 9.617
61 H MET 7 H MET 7 -10.929 8.038 7.723
62 HA MET 7 HA MET 7 -8.318 6.674 7.735
63 1HB MET 7 1HB MET 7 -9.910 6.058 9.468
64 2HB MET 7 2HB MET 7 -11.136 5.680 8.256
65 1HG MET 7 1HG MET 7 -8.612 4.272 7.789
66 2HG MET 7 2HG MET 7 -9.342 3.869 9.344
67 1HE MET 7 1HE MET 7 -9.215 1.668 8.519
68 2HE MET 7 2HE MET 7 -10.503 0.834 7.653
69 3HE MET 7 3HE MET 7 -9.179 1.568 6.753
70 QB MET 7 QB MET 7 -10.523 5.869 8.862
71 QG MET 7 QG MET 7 -8.977 4.070 8.567
72 ME MET 7 ME MET 7 -9.632 1.357 7.642
73 H ALA 8 H ALA 8 -11.324 6.649 5.830
74 HA ALA 8 HA ALA 8 -10.698 4.504 4.096
75 1HB ALA 8 3HB ALA 8 -12.668 5.120 3.197
76 2HB ALA 8 2HB ALA 8 -11.960 6.626 2.612
77 3HB ALA 8 1HB ALA 8 -12.659 6.550 4.230
78 MB ALA 8 MB ALA 8 -12.429 6.099 3.347
79 H ASP 9 H ASP 9 -9.693 7.909 3.974
80 HA ASP 9 HA ASP 9 -8.551 8.052 1.438
81 1HB ASP 9 1HB ASP 9 -8.098 9.365 4.023
82 2HB ASP 9 2HB ASP 9 -6.662 9.327 3.000
83 QB ASP 9 QB ASP 9 -7.380 9.346 3.512
84 H THR 10 H THR 10 -7.025 6.730 4.390
85 HA THR 10 HA THR 10 -4.547 6.025 3.170
86 HB THR 10 HB THR 10 -4.387 4.355 5.067
87 HG1 THR 10 HG1 THR 10 -6.278 5.008 6.598
88 1HG2 THR 10 1HG2 THR 10 -5.088 7.252 5.501
89 2HG2 THR 10 2HG2 THR 10 -4.648 6.215 6.857
90 3HG2 THR 10 3HG2 THR 10 -3.501 6.484 5.544
91 MG THR 10 MG THR 10 -4.412 6.651 5.967
92 H PHE 11 H PHE 11 -7.627 4.284 3.398
93 HA PHE 11 HA PHE 11 -6.699 1.778 2.394
94 1HB PHE 11 1HB PHE 11 -8.997 2.386 3.427
95 2HB PHE 11 2HB PHE 11 -9.437 2.898 1.798
96 HD1 PHE 11 HD1 PHE 11 -9.159 1.227 -0.118
97 HD2 PHE 11 HD2 PHE 11 -9.009 0.094 4.023
98 HE1 PHE 11 HE1 PHE 11 -9.593 -1.132 -0.748
99 HE2 PHE 11 HE2 PHE 11 -9.444 -2.265 3.391
100 HZ PHE 11 HZ PHE 11 -9.735 -2.878 1.007
101 QB PHE 11 QB PHE 11 -9.217 2.642 2.612
102 QD PHE 11 QD PHE 11 -9.084 0.661 1.952
103 QE PHE 11 QE PHE 11 -9.518 -1.699 1.322
104 QR PHE 11 QR PHE 11 -9.388 -0.991 1.511
105 H LEU 12 H LEU 12 -8.374 4.416 0.631
106 HA LEU 12 HA LEU 12 -8.021 3.328 -1.964
107 1HB LEU 12 1HB LEU 12 -8.946 5.793 -0.817
108 2HB LEU 12 2HB LEU 12 -7.858 6.161 -2.156
109 HG LEU 12 HG LEU 12 -9.221 4.276 -3.394
110 1HD1 LEU 12 1HD1 LEU 12 -10.468 3.877 -1.133
111 2HD1 LEU 12 2HD1 LEU 12 -11.394 5.310 -1.582
112 3HD1 LEU 12 3HD1 LEU 12 -11.407 3.889 -2.627
113 1HD2 LEU 12 1HD2 LEU 12 -9.334 7.088 -3.276
114 2HD2 LEU 12 2HD2 LEU 12 -9.953 6.057 -4.567
115 3HD2 LEU 12 3HD2 LEU 12 -11.014 6.551 -3.248
116 MD1 LEU 12 MD1 LEU 12 -11.090 4.359 -1.781
117 MD2 LEU 12 MD2 LEU 12 -10.100 6.566 -3.697
118 QB LEU 12 QB LEU 12 -8.402 5.977 -1.487
119 QD LEU 12 QD LEU 12 -10.595 5.462 -2.739
120 H ASP 13 H ASP 13 -5.779 4.952 0.143
121 HA ASP 13 HA ASP 13 -3.902 5.950 -1.718
122 1HB ASP 13 1HB ASP 13 -3.855 6.249 0.795
123 2HB ASP 13 2HB ASP 13 -3.206 4.614 0.909
124 QB ASP 13 QB ASP 13 -3.530 5.431 0.852
125 H ASN 14 H ASN 14 -3.662 2.794 -0.019
126 HA ASN 14 HA ASN 14 -1.842 1.862 -2.157
127 1HB ASN 14 1HB ASN 14 -2.504 1.013 0.615
128 2HB ASN 14 2HB ASN 14 -2.041 -0.265 -0.509
129 2HD2 ASN 14 1HD2 ASN 14 -0.110 -0.206 1.195
130 1HD2 ASN 14 2HD2 ASN 14 1.200 0.787 0.770
131 QB ASN 14 QB ASN 14 -2.273 0.374 0.053
132 QD ASN 14 QD ASN 14 0.545 0.290 0.983
133 H MET 15 H MET 15 -4.845 2.248 -2.500
134 HA MET 15 HA MET 15 -5.638 -0.568 -3.076
135 1HB MET 15 1HB MET 15 -7.202 0.977 -1.809
136 2HB MET 15 2HB MET 15 -7.347 1.924 -3.291
137 1HG MET 15 1HG MET 15 -7.826 -0.528 -4.301
138 2HG MET 15 2HG MET 15 -8.418 -0.779 -2.659
139 1HE MET 15 1HE MET 15 -8.274 2.190 -5.200
140 2HE MET 15 2HE MET 15 -8.883 0.783 -6.069
141 3HE MET 15 3HE MET 15 -9.926 2.188 -5.811
142 QB MET 15 QB MET 15 -7.274 1.451 -2.550
143 QG MET 15 QG MET 15 -8.122 -0.653 -3.480
144 ME MET 15 ME MET 15 -9.028 1.720 -5.693
145 H ARG 16 H ARG 16 -3.656 0.957 -4.678
146 HA ARG 16 HA ARG 16 -5.052 1.628 -7.162
147 1HB ARG 16 1HB ARG 16 -2.125 1.465 -6.412
148 2HB ARG 16 2HB ARG 16 -2.679 1.872 -8.037
149 1HG ARG 16 1HG ARG 16 -3.243 3.974 -7.426
150 2HG ARG 16 2HG ARG 16 -4.058 3.411 -5.966
151 1HD ARG 16 1HD ARG 16 -2.171 4.793 -5.308
152 2HD ARG 16 2HD ARG 16 -1.810 3.116 -4.894
153 HE ARG 16 HE ARG 16 0.095 3.480 -6.232
154 1HH1 ARG 16 1HH1 ARG 16 -2.090 5.843 -7.176
155 2HH1 ARG 16 2HH1 ARG 16 -1.591 5.894 -8.834
156 1HH2 ARG 16 1HH2 ARG 16 0.481 3.126 -8.572
157 2HH2 ARG 16 2HH2 ARG 16 -0.136 4.357 -9.624
158 QB ARG 16 QB ARG 16 -2.402 1.669 -7.225
159 QG ARG 16 QG ARG 16 -3.650 3.693 -6.696
160 QD ARG 16 QD ARG 16 -1.991 3.954 -5.101
161 QH1 ARG 16 QH1 ARG 16 -1.840 5.869 -8.005
162 QH2 ARG 16 QH2 ARG 16 0.173 3.742 -9.098
163 H VAL 17 H VAL 17 -3.912 -1.199 -5.694
164 HA VAL 17 HA VAL 17 -3.204 -2.627 -8.132
165 HB VAL 17 HB VAL 17 -3.969 -3.784 -5.438
166 1HG1 VAL 17 1HG1 VAL 17 -3.741 -5.171 -7.681
167 2HG1 VAL 17 2HG1 VAL 17 -2.015 -4.976 -7.378
168 3HG1 VAL 17 3HG1 VAL 17 -3.034 -5.780 -6.185
169 1HG2 VAL 17 1HG2 VAL 17 -1.305 -2.809 -6.513
170 2HG2 VAL 17 2HG2 VAL 17 -2.163 -2.209 -5.094
171 3HG2 VAL 17 3HG2 VAL 17 -1.469 -3.830 -5.084
172 MG1 VAL 17 MG1 VAL 17 -2.930 -5.309 -7.081
173 MG2 VAL 17 MG2 VAL 17 -1.646 -2.949 -5.563
174 QG VAL 17 QG VAL 17 -2.288 -4.129 -6.322
175 H GLY 18 H GLY 18 -6.121 -1.778 -6.582
176 1HA GLY 18 1HA GLY 18 -8.191 -2.067 -7.910
177 2HA GLY 18 2HA GLY 18 -7.591 -3.654 -8.385
178 QA GLY 18 QA GLY 18 -7.891 -2.861 -8.147
179 1HB PRO 19 1HB PRO 19 -12.309 -2.966 -4.447
180 2HB PRO 19 2HB PRO 19 -11.027 -1.860 -3.920
181 1HG PRO 19 2HG PRO 19 -11.552 -0.681 -5.837
182 2HG PRO 19 1HG PRO 19 -12.335 -2.079 -6.590
183 1HD PRO 19 1HD PRO 19 -10.423 -2.349 -7.831
184 2HD PRO 19 2HD PRO 19 -9.554 -1.147 -6.853
185 QB PRO 19 QB PRO 19 -11.668 -2.413 -4.184
186 QG PRO 19 QG PRO 19 -11.944 -1.380 -6.213
187 QD PRO 19 QD PRO 19 -9.989 -1.748 -7.342
188 H ARG 20 H ARG 20 -11.602 -5.260 -3.463
189 HA ARG 20 HA ARG 20 -12.054 -7.178 -5.714
190 1HB ARG 20 1HB ARG 20 -10.932 -7.610 -3.174
191 2HB ARG 20 2HB ARG 20 -12.560 -8.284 -3.079
192 1HG ARG 20 1HG ARG 20 -12.151 -9.577 -5.140
193 2HG ARG 20 2HG ARG 20 -10.522 -8.908 -5.236
194 1HD ARG 20 1HD ARG 20 -10.688 -11.217 -4.178
195 2HD ARG 20 2HD ARG 20 -9.856 -10.001 -3.210
196 HE ARG 20 HE ARG 20 -12.683 -10.106 -2.583
197 1HH1 ARG 20 1HH1 ARG 20 -10.520 -9.702 -0.560
198 2HH1 ARG 20 2HH1 ARG 20 -10.530 -11.207 0.295
199 1HH2 ARG 20 1HH2 ARG 20 -12.315 -12.891 -2.156
200 2HH2 ARG 20 2HH2 ARG 20 -11.546 -13.015 -0.610
201 QB ARG 20 QB ARG 20 -11.746 -7.947 -3.127
202 QG ARG 20 QG ARG 20 -11.336 -9.243 -5.188
203 QD ARG 20 QD ARG 20 -10.272 -10.609 -3.694
204 QH1 ARG 20 QH1 ARG 20 -10.525 -10.455 -0.132
205 QH2 ARG 20 QH2 ARG 20 -11.931 -12.953 -1.383
206 H THR 21 H THR 21 -13.629 -4.757 -4.420
207 HA THR 21 HA THR 21 -16.077 -5.894 -3.419
208 HB THR 21 HB THR 21 -16.253 -3.299 -4.828
209 HG1 THR 21 HG1 THR 21 -14.314 -3.888 -2.889
210 1HG2 THR 21 1HG2 THR 21 -17.681 -4.577 -2.900
211 2HG2 THR 21 2HG2 THR 21 -16.641 -3.555 -1.907
212 3HG2 THR 21 3HG2 THR 21 -17.689 -2.828 -3.124
213 MG THR 21 MG THR 21 -17.337 -3.653 -2.644
214 H TYR 22 H TYR 22 -15.275 -4.490 -6.620
215 HA TYR 22 HA TYR 22 -16.652 -6.514 -8.086
216 1HB TYR 22 1HB TYR 22 -18.479 -4.750 -8.894
217 2HB TYR 22 2HB TYR 22 -18.772 -5.793 -7.506
218 HD1 TYR 22 HD1 TYR 22 -16.372 -2.962 -7.472
219 HD2 TYR 22 HD2 TYR 22 -20.291 -4.320 -6.354
220 HE1 TYR 22 HE1 TYR 22 -16.650 -0.968 -6.028
221 HE2 TYR 22 HE2 TYR 22 -20.569 -2.324 -4.909
222 HH TYR 22 HH TYR 22 -19.335 -0.653 -3.828
223 QB TYR 22 QB TYR 22 -18.626 -5.271 -8.200
224 QD TYR 22 QD TYR 22 -18.331 -3.641 -6.913
225 QE TYR 22 QE TYR 22 -18.609 -1.646 -5.468
226 QR TYR 22 QR TYR 22 -18.470 -2.644 -6.191
227 H ALA 23 H ALA 23 -17.324 -3.308 -9.192
228 HA ALA 23 HA ALA 23 -16.539 -2.448 -11.293
229 1HB ALA 23 1HB ALA 23 -14.669 -2.007 -9.029
230 2HB ALA 23 3HB ALA 23 -15.615 -0.837 -9.950
231 3HB ALA 23 2HB ALA 23 -14.135 -1.507 -10.634
232 MB ALA 23 MB ALA 23 -14.806 -1.450 -9.871
233 H ASP 24 H ASP 24 -13.400 -3.399 -10.201
234 HA ASP 24 HA ASP 24 -12.525 -4.333 -12.737
235 1HB ASP 24 2HB ASP 24 -10.632 -5.339 -11.516
236 2HB ASP 24 1HB ASP 24 -11.498 -5.131 -9.993
237 QB ASP 24 QB ASP 24 -11.065 -5.235 -10.755
238 H VAL 25 H VAL 25 -13.188 -6.366 -9.856
239 HA VAL 25 HA VAL 25 -13.221 -8.841 -11.205
240 HB VAL 25 HB VAL 25 -15.072 -8.161 -8.910
241 1HG1 VAL 25 1HG1 VAL 25 -15.122 -10.434 -10.067
242 2HG1 VAL 25 2HG1 VAL 25 -13.480 -10.673 -9.468
243 3HG1 VAL 25 3HG1 VAL 25 -14.812 -10.470 -8.331
244 1HG2 VAL 25 1HG2 VAL 25 -12.156 -8.028 -9.055
245 2HG2 VAL 25 2HG2 VAL 25 -13.236 -7.503 -7.763
246 3HG2 VAL 25 3HG2 VAL 25 -12.708 -9.184 -7.843
247 MG1 VAL 25 MG1 VAL 25 -14.471 -10.526 -9.288
248 MG2 VAL 25 MG2 VAL 25 -12.700 -8.239 -8.220
249 QG VAL 25 QG VAL 25 -13.585 -9.382 -8.754
250 H ARG 26 H ARG 26 -15.650 -6.320 -11.049
251 HA ARG 26 HA ARG 26 -17.893 -7.867 -11.932
252 1HB ARG 26 1HB ARG 26 -17.626 -5.319 -11.100
253 2HB ARG 26 2HB ARG 26 -17.655 -5.042 -12.843
254 1HG ARG 26 1HG ARG 26 -19.681 -6.963 -12.202
255 2HG ARG 26 2HG ARG 26 -19.862 -5.580 -11.121
256 1HD ARG 26 2HD ARG 26 -19.591 -4.133 -13.249
257 2HD ARG 26 1HD ARG 26 -21.124 -4.975 -13.024
258 HE ARG 26 HE ARG 26 -19.413 -6.687 -14.507
259 1HH1 ARG 26 1HH1 ARG 26 -19.667 -3.438 -15.131
260 2HH1 ARG 26 2HH1 ARG 26 -20.442 -3.595 -16.672
261 1HH2 ARG 26 1HH2 ARG 26 -21.004 -7.001 -16.339
262 2HH2 ARG 26 2HH2 ARG 26 -21.202 -5.611 -17.355
263 QB ARG 26 QB ARG 26 -17.640 -5.180 -11.972
264 QG ARG 26 QG ARG 26 -19.771 -6.271 -11.661
265 QD ARG 26 QD ARG 26 -20.357 -4.554 -13.136
266 QH1 ARG 26 QH1 ARG 26 -20.055 -3.517 -15.902
267 QH2 ARG 26 QH2 ARG 26 -21.103 -6.306 -16.847
268 H ASP 27 H ASP 27 -15.487 -5.946 -13.742
269 HA ASP 27 HA ASP 27 -16.603 -6.602 -16.327
270 1HB ASP 27 2HB ASP 27 -14.503 -5.670 -17.219
271 2HB ASP 27 1HB ASP 27 -13.800 -5.690 -15.601
272 QB ASP 27 QB ASP 27 -14.152 -5.680 -16.410
273 H GLU 28 H GLU 28 -14.462 -8.224 -14.121
274 HA GLU 28 HA GLU 28 -13.172 -9.944 -16.028
275 1HB GLU 28 1HB GLU 28 -12.873 -9.527 -13.348
276 2HB GLU 28 2HB GLU 28 -13.746 -11.060 -13.341
277 1HG GLU 28 1HG GLU 28 -12.045 -11.859 -15.088
278 2HG GLU 28 2HG GLU 28 -11.099 -10.434 -14.656
279 QB GLU 28 QB GLU 28 -13.310 -10.294 -13.345
280 QG GLU 28 QG GLU 28 -11.572 -11.146 -14.872
281 H ILE 29 H ILE 29 -16.278 -10.056 -14.351
282 HA ILE 29 HA ILE 29 -16.833 -12.774 -15.259
283 HB ILE 29 HB ILE 29 -18.883 -10.754 -14.341
284 1HG1 ILE 29 1HG1 ILE 29 -17.401 -12.638 -12.506
285 2HG1 ILE 29 2HG1 ILE 29 -16.786 -11.016 -12.826
286 1HG2 ILE 29 1HG2 ILE 29 -18.678 -13.777 -14.307
287 2HG2 ILE 29 2HG2 ILE 29 -19.915 -12.883 -13.424
288 3HG2 ILE 29 3HG2 ILE 29 -19.849 -12.791 -15.184
289 1HD1 ILE 29 1HD1 ILE 29 -19.657 -11.397 -12.019
290 2HD1 ILE 29 2HD1 ILE 29 -18.392 -11.388 -10.790
291 3HD1 ILE 29 3HD1 ILE 29 -18.629 -9.978 -11.824
292 MG ILE 29 MG ILE 29 -19.481 -13.150 -14.305
293 MD ILE 29 MD ILE 29 -18.893 -10.921 -11.544
294 QG ILE 29 QG ILE 29 -17.093 -11.827 -12.666
295 H ASN 30 H ASN 30 -16.232 -10.509 -17.208
296 HA ASN 30 HA ASN 30 -18.644 -10.763 -18.918
297 1HB ASN 30 1HB ASN 30 -16.385 -8.739 -18.938
298 2HB ASN 30 2HB ASN 30 -17.646 -8.820 -20.169
299 2HD2 ASN 30 1HD2 ASN 30 -17.411 -8.710 -16.561
300 1HD2 ASN 30 2HD2 ASN 30 -18.739 -7.671 -16.365
301 QB ASN 30 QB ASN 30 -17.015 -8.779 -19.553
302 QD ASN 30 QD ASN 30 -18.075 -8.190 -16.463
303 H LYS 31 H LYS 31 -15.112 -10.368 -19.403
304 HA LYS 31 HA LYS 31 -15.225 -12.052 -21.795
305 1HB LYS 31 1HB LYS 31 -13.639 -10.023 -21.277
306 2HB LYS 31 2HB LYS 31 -12.669 -11.234 -20.437
307 1HG LYS 31 1HG LYS 31 -12.951 -12.623 -22.632
308 2HG LYS 31 2HG LYS 31 -13.365 -11.070 -23.361
309 1HD LYS 31 1HD LYS 31 -11.084 -10.563 -21.799
310 2HD LYS 31 2HD LYS 31 -10.758 -12.096 -22.608
311 1HE LYS 31 1HE LYS 31 -10.967 -11.160 -24.748
312 2HE LYS 31 2HE LYS 31 -11.899 -9.784 -24.158
313 1HZ LYS 31 1HZ LYS 31 -9.855 -9.093 -22.935
314 2HZ LYS 31 2HZ LYS 31 -9.004 -10.298 -23.777
315 3HZ LYS 31 3HZ LYS 31 -9.722 -9.019 -24.628
316 QB LYS 31 QB LYS 31 -13.154 -10.629 -20.857
317 QD LYS 31 QD LYS 31 -10.921 -11.330 -22.203
318 QG LYS 31 QG LYS 31 -13.158 -11.847 -22.996
319 QE LYS 31 QE LYS 31 -11.433 -10.472 -24.453
320 QZ LYS 31 QZ LYS 31 -9.527 -9.470 -23.780
321 H ARG 32 H ARG 32 -14.743 -12.550 -18.408
322 HA ARG 32 HA ARG 32 -13.962 -14.410 -17.193
323 1HB ARG 32 1HB ARG 32 -16.128 -15.163 -18.337
324 2HB ARG 32 2HB ARG 32 -15.099 -15.979 -19.515
325 1HG ARG 32 2HG ARG 32 -13.978 -16.776 -17.132
326 2HG ARG 32 1HG ARG 32 -15.141 -17.722 -18.062
327 1HD ARG 32 1HD ARG 32 -15.543 -16.123 -15.574
328 2HD ARG 32 2HD ARG 32 -16.870 -16.158 -16.736
329 HE ARG 32 HE ARG 32 -16.685 -18.706 -16.560
330 1HH1 ARG 32 1HH1 ARG 32 -14.264 -18.405 -14.668
331 2HH1 ARG 32 2HH1 ARG 32 -15.013 -18.743 -13.144
332 1HH2 ARG 32 1HH2 ARG 32 -18.243 -18.350 -14.343
333 2HH2 ARG 32 2HH2 ARG 32 -17.265 -18.711 -12.959
334 QB ARG 32 QB ARG 32 -15.613 -15.571 -18.926
335 QG ARG 32 QG ARG 32 -14.560 -17.249 -17.597
336 QD ARG 32 QD ARG 32 -16.206 -16.141 -16.155
337 QH1 ARG 32 QH1 ARG 32 -14.638 -18.574 -13.906
338 QH2 ARG 32 QH2 ARG 32 -17.754 -18.530 -13.651
339 H GLY 33 H GLY 33 -11.990 -13.275 -18.972
340 1HA GLY 33 1HA GLY 33 -9.870 -13.819 -19.815
341 2HA GLY 33 2HA GLY 33 -10.028 -15.342 -18.939
342 QA GLY 33 QA GLY 33 -9.949 -14.581 -19.377
343 H ARG 34 H ARG 34 -9.674 -14.074 -21.985
344 HA ARG 34 HA ARG 34 -10.401 -16.655 -23.211
345 1HB ARG 34 1HB ARG 34 -12.089 -14.317 -23.422
346 2HB ARG 34 2HB ARG 34 -11.448 -14.747 -25.008
347 1HG ARG 34 1HG ARG 34 -12.372 -16.915 -24.929
348 2HG ARG 34 2HG ARG 34 -12.605 -16.847 -23.182
349 1HD ARG 34 1HD ARG 34 -14.286 -15.018 -23.537
350 2HD ARG 34 2HD ARG 34 -14.124 -15.266 -25.275
351 HE ARG 34 HE ARG 34 -14.710 -17.792 -24.263
352 1HH1 ARG 34 1HH1 ARG 34 -16.411 -15.655 -25.893
353 2HH1 ARG 34 2HH1 ARG 34 -17.900 -15.779 -25.019
354 1HH2 ARG 34 1HH2 ARG 34 -16.504 -17.525 -22.367
355 2HH2 ARG 34 2HH2 ARG 34 -17.953 -16.837 -23.021
356 QB ARG 34 QB ARG 34 -11.768 -14.532 -24.215
357 QG ARG 34 QG ARG 34 -12.488 -16.881 -24.055
358 QD ARG 34 QD ARG 34 -14.205 -15.142 -24.406
359 QH1 ARG 34 QH1 ARG 34 -17.155 -15.717 -25.456
360 QH2 ARG 34 QH2 ARG 34 -17.228 -17.181 -22.694
No H/Q in entry = 360
Start of MODEL 5
1 H1 MET 1 H1 MET 1 -14.224 19.840 1.518
2 H2 MET 1 H2 MET 1 -15.540 18.904 0.984
3 H3 MET 1 H3 MET 1 -15.742 20.564 1.272
4 HA MET 1 HA MET 1 -15.445 20.291 3.606
5 1HB MET 1 1HB MET 1 -17.693 19.797 2.598
6 2HB MET 1 2HB MET 1 -17.256 18.087 2.578
7 1HG MET 1 1HG MET 1 -16.647 18.805 5.166
8 2HG MET 1 2HG MET 1 -18.073 19.788 4.837
9 1HE MET 1 1HE MET 1 -19.667 19.296 5.813
10 2HE MET 1 2HE MET 1 -20.831 18.199 5.059
11 3HE MET 1 3HE MET 1 -20.074 17.769 6.589
12 QB MET 1 QB MET 1 -17.475 18.942 2.588
13 QG MET 1 QG MET 1 -17.360 19.296 5.001
14 ME MET 1 ME MET 1 -20.190 18.421 5.820
15 H SER 2 H SER 2 -15.812 16.904 2.517
16 HA SER 2 HA SER 2 -13.301 15.884 3.097
17 1HB SER 2 1HB SER 2 -13.846 15.061 5.547
18 2HB SER 2 2HB SER 2 -13.145 16.657 5.285
19 HG SER 2 HG SER 2 -15.644 15.928 6.175
20 QB SER 2 QB SER 2 -13.496 15.859 5.416
21 H TRP 3 H TRP 3 -14.361 14.535 1.446
22 HA TRP 3 HA TRP 3 -16.653 12.911 2.004
23 1HB TRP 3 1HB TRP 3 -14.455 11.961 0.183
24 2HB TRP 3 2HB TRP 3 -16.201 11.832 -0.022
25 HD1 TRP 3 HD1 TRP 3 -16.913 14.886 0.547
26 HE1 TRP 3 HE1 TRP 3 -16.345 16.661 -1.233
27 HE3 TRP 3 HE3 TRP 3 -13.311 12.387 -2.077
28 HZ2 TRP 3 HZ2 TRP 3 -14.594 16.980 -3.474
29 HZ3 TRP 3 HZ3 TRP 3 -12.214 13.448 -4.030
30 HH2 TRP 3 HH2 TRP 3 -12.850 15.740 -4.731
31 QB TRP 3 QB TRP 3 -15.328 11.897 0.081
32 H ALA 4 H ALA 4 -15.335 10.324 1.249
33 HA ALA 4 HA ALA 4 -14.556 9.550 4.004
34 1HB ALA 4 2HB ALA 4 -14.695 7.577 1.761
35 2HB ALA 4 1HB ALA 4 -16.204 8.300 2.314
36 3HB ALA 4 3HB ALA 4 -15.194 7.397 3.443
37 MB ALA 4 MB ALA 4 -15.364 7.758 2.506
38 H LEU 5 H LEU 5 -12.764 11.091 2.128
39 HA LEU 5 HA LEU 5 -10.686 9.218 1.316
40 1HB LEU 5 1HB LEU 5 -11.092 12.162 1.246
41 2HB LEU 5 2HB LEU 5 -9.420 11.602 1.276
42 HG LEU 5 HG LEU 5 -11.520 10.611 -0.672
43 1HD1 LEU 5 1HD1 LEU 5 -9.518 12.837 -0.787
44 2HD1 LEU 5 2HD1 LEU 5 -9.823 11.904 -2.252
45 3HD1 LEU 5 3HD1 LEU 5 -11.145 12.763 -1.461
46 1HD2 LEU 5 1HD2 LEU 5 -9.248 9.348 0.138
47 2HD2 LEU 5 2HD2 LEU 5 -9.927 9.184 -1.480
48 3HD2 LEU 5 3HD2 LEU 5 -8.614 10.323 -1.186
49 MD1 LEU 5 MD1 LEU 5 -10.162 12.501 -1.500
50 MD2 LEU 5 MD2 LEU 5 -9.263 9.619 -0.843
51 QB LEU 5 QB LEU 5 -10.256 11.882 1.261
52 QD LEU 5 QD LEU 5 -9.712 11.060 -1.171
53 H GLU 6 H GLU 6 -11.521 10.816 4.246
54 HA GLU 6 HA GLU 6 -8.871 10.964 5.390
55 1HB GLU 6 1HB GLU 6 -10.755 12.267 6.294
56 2HB GLU 6 2HB GLU 6 -11.577 10.774 6.751
57 1HG GLU 6 1HG GLU 6 -8.930 10.652 7.806
58 2HG GLU 6 2HG GLU 6 -9.597 12.231 8.223
59 QB GLU 6 QB GLU 6 -11.166 11.521 6.522
60 QG GLU 6 QG GLU 6 -9.264 11.442 8.014
61 H MET 7 H MET 7 -11.558 8.720 6.175
62 HA MET 7 HA MET 7 -9.745 6.848 7.460
63 1HB MET 7 1HB MET 7 -12.152 7.120 8.094
64 2HB MET 7 2HB MET 7 -12.604 6.421 6.540
65 1HG MET 7 1HG MET 7 -11.070 4.442 7.230
66 2HG MET 7 2HG MET 7 -11.209 5.099 8.860
67 1HE MET 7 1HE MET 7 -12.244 3.166 6.217
68 2HE MET 7 2HE MET 7 -12.801 2.006 7.419
69 3HE MET 7 3HE MET 7 -13.955 2.760 6.311
70 QB MET 7 QB MET 7 -12.378 6.771 7.317
71 QG MET 7 QG MET 7 -11.139 4.770 8.045
72 ME MET 7 ME MET 7 -13.000 2.644 6.649
73 H ALA 8 H ALA 8 -11.456 6.955 4.344
74 HA ALA 8 HA ALA 8 -10.646 4.370 3.437
75 1HB ALA 8 1HB ALA 8 -12.459 5.849 2.449
76 2HB ALA 8 2HB ALA 8 -11.170 6.769 1.673
77 3HB ALA 8 3HB ALA 8 -11.399 5.067 1.275
78 MB ALA 8 MB ALA 8 -11.676 5.895 1.799
79 H ASP 9 H ASP 9 -8.951 7.483 3.350
80 HA ASP 9 HA ASP 9 -7.030 6.665 1.377
81 1HB ASP 9 1HB ASP 9 -7.373 9.025 1.868
82 2HB ASP 9 2HB ASP 9 -6.849 8.789 3.536
83 QB ASP 9 QB ASP 9 -7.111 8.907 2.702
84 H THR 10 H THR 10 -6.961 6.552 4.961
85 HA THR 10 HA THR 10 -4.254 5.468 5.048
86 HB THR 10 HB THR 10 -6.085 4.996 7.341
87 HG1 THR 10 HG1 THR 10 -5.756 7.314 7.827
88 1HG2 THR 10 1HG2 THR 10 -3.263 5.567 6.773
89 2HG2 THR 10 2HG2 THR 10 -3.898 6.466 8.151
90 3HG2 THR 10 3HG2 THR 10 -3.984 4.704 8.132
91 MG THR 10 MG THR 10 -3.715 5.579 7.685
92 H PHE 11 H PHE 11 -5.463 3.899 3.265
93 HA PHE 11 HA PHE 11 -5.080 1.251 4.027
94 1HB PHE 11 1HB PHE 11 -7.301 1.969 5.338
95 2HB PHE 11 2HB PHE 11 -8.045 1.718 3.764
96 HD1 PHE 11 HD1 PHE 11 -5.432 -0.014 5.840
97 HD2 PHE 11 HD2 PHE 11 -9.006 -0.369 3.484
98 HE1 PHE 11 HE1 PHE 11 -5.463 -2.459 6.253
99 HE2 PHE 11 HE2 PHE 11 -9.039 -2.814 3.899
100 HZ PHE 11 HZ PHE 11 -7.267 -3.859 5.284
101 QB PHE 11 QB PHE 11 -7.673 1.844 4.551
102 QD PHE 11 QD PHE 11 -7.219 -0.192 4.662
103 QE PHE 11 QE PHE 11 -7.251 -2.636 5.076
104 QR PHE 11 QR PHE 11 -7.241 -1.903 4.952
105 H LEU 12 H LEU 12 -7.763 2.811 2.309
106 HA LEU 12 HA LEU 12 -7.120 1.510 -0.218
107 1HB LEU 12 1HB LEU 12 -9.262 3.231 0.869
108 2HB LEU 12 2HB LEU 12 -8.917 3.478 -0.844
109 HG LEU 12 HG LEU 12 -9.112 1.008 -1.198
110 1HD1 LEU 12 1HD1 LEU 12 -9.901 1.095 1.726
111 2HD1 LEU 12 2HD1 LEU 12 -10.218 -0.283 0.670
112 3HD1 LEU 12 3HD1 LEU 12 -8.557 0.205 1.012
113 1HD2 LEU 12 1HD2 LEU 12 -11.205 2.889 -0.604
114 2HD2 LEU 12 2HD2 LEU 12 -11.235 1.538 -1.739
115 3HD2 LEU 12 3HD2 LEU 12 -11.705 1.289 -0.057
116 MD1 LEU 12 MD1 LEU 12 -9.559 0.339 1.136
117 MD2 LEU 12 MD2 LEU 12 -11.381 1.905 -0.800
118 QB LEU 12 QB LEU 12 -9.089 3.354 0.012
119 QD LEU 12 QD LEU 12 -10.470 1.122 0.168
120 H ASP 13 H ASP 13 -5.294 3.703 1.193
121 HA ASP 13 HA ASP 13 -5.153 6.087 -0.126
122 1HB ASP 13 1HB ASP 13 -2.531 5.578 -0.130
123 2HB ASP 13 2HB ASP 13 -3.418 5.876 1.365
124 QB ASP 13 QB ASP 13 -2.974 5.727 0.617
125 H ASN 14 H ASN 14 -3.301 3.269 -1.418
126 HA ASN 14 HA ASN 14 -3.439 4.609 -4.073
127 1HB ASN 14 2HB ASN 14 -1.208 3.879 -3.115
128 2HB ASN 14 1HB ASN 14 -1.567 3.259 -4.728
129 2HD2 ASN 14 1HD2 ASN 14 -1.811 0.975 -4.970
130 1HD2 ASN 14 2HD2 ASN 14 -1.619 -0.118 -3.686
131 QB ASN 14 QB ASN 14 -1.388 3.569 -3.922
132 QD ASN 14 QD ASN 14 -1.715 0.428 -4.328
133 H MET 15 H MET 15 -5.635 3.065 -2.808
134 HA MET 15 HA MET 15 -6.165 1.286 -5.113
135 1HB MET 15 1HB MET 15 -5.783 0.429 -2.321
136 2HB MET 15 2HB MET 15 -7.294 -0.131 -3.038
137 1HG MET 15 1HG MET 15 -4.992 -0.375 -4.845
138 2HG MET 15 2HG MET 15 -4.838 -1.344 -3.379
139 1HE MET 15 1HE MET 15 -5.848 -2.956 -2.664
140 2HE MET 15 2HE MET 15 -7.597 -3.137 -2.772
141 3HE MET 15 3HE MET 15 -6.549 -4.213 -3.692
142 QB MET 15 QB MET 15 -6.538 0.149 -2.679
143 QG MET 15 QG MET 15 -4.915 -0.860 -4.112
144 ME MET 15 ME MET 15 -6.665 -3.435 -3.043
145 H ARG 16 H ARG 16 -7.558 3.147 -5.637
146 HA ARG 16 HA ARG 16 -9.533 4.303 -4.075
147 1HB ARG 16 1HB ARG 16 -8.959 4.733 -6.550
148 2HB ARG 16 2HB ARG 16 -10.111 3.443 -6.901
149 1HG ARG 16 1HG ARG 16 -11.145 5.398 -4.979
150 2HG ARG 16 2HG ARG 16 -10.757 6.112 -6.545
151 1HD ARG 16 1HD ARG 16 -12.460 3.633 -6.155
152 2HD ARG 16 2HD ARG 16 -13.095 5.252 -6.449
153 HE ARG 16 HE ARG 16 -11.564 5.036 -8.612
154 1HH1 ARG 16 1HH1 ARG 16 -14.007 3.076 -7.266
155 2HH1 ARG 16 2HH1 ARG 16 -14.050 1.959 -8.590
156 1HH2 ARG 16 1HH2 ARG 16 -11.351 3.388 -10.230
157 2HH2 ARG 16 2HH2 ARG 16 -12.547 2.136 -10.266
158 QB ARG 16 QB ARG 16 -9.535 4.088 -6.726
159 QG ARG 16 QG ARG 16 -10.951 5.755 -5.762
160 QD ARG 16 QD ARG 16 -12.778 4.442 -6.302
161 QH1 ARG 16 QH1 ARG 16 -14.029 2.517 -7.928
162 QH2 ARG 16 QH2 ARG 16 -11.949 2.762 -10.248
163 H VAL 17 H VAL 17 -10.034 1.470 -6.116
164 HA VAL 17 HA VAL 17 -12.626 0.858 -5.051
165 HB VAL 17 HB VAL 17 -11.804 0.071 -7.268
166 1HG1 VAL 17 1HG1 VAL 17 -9.499 -0.523 -6.143
167 2HG1 VAL 17 2HG1 VAL 17 -10.273 -2.075 -5.823
168 3HG1 VAL 17 3HG1 VAL 17 -10.091 -1.506 -7.482
169 1HG2 VAL 17 1HG2 VAL 17 -13.626 -1.099 -5.828
170 2HG2 VAL 17 2HG2 VAL 17 -12.949 -1.995 -7.189
171 3HG2 VAL 17 3HG2 VAL 17 -12.400 -2.337 -5.548
172 MG1 VAL 17 MG1 VAL 17 -9.954 -1.368 -6.483
173 MG2 VAL 17 MG2 VAL 17 -12.992 -1.810 -6.188
174 QG VAL 17 QG VAL 17 -11.473 -1.589 -6.335
175 H GLY 18 H GLY 18 -9.441 0.203 -3.944
176 1HA GLY 18 1HA GLY 18 -8.637 -1.003 -2.093
177 2HA GLY 18 2HA GLY 18 -10.226 -0.708 -1.387
178 QA GLY 18 QA GLY 18 -9.432 -0.855 -1.740
179 1HB PRO 19 1HB PRO 19 -9.076 -6.251 -0.116
180 2HB PRO 19 2HB PRO 19 -7.853 -5.757 -1.300
181 1HG PRO 19 2HG PRO 19 -7.164 -4.296 0.353
182 2HG PRO 19 1HG PRO 19 -8.723 -4.367 1.193
183 1HD PRO 19 1HD PRO 19 -9.194 -2.330 0.233
184 2HD PRO 19 2HD PRO 19 -7.795 -2.449 -0.855
185 QB PRO 19 QB PRO 19 -8.465 -6.004 -0.708
186 QG PRO 19 QG PRO 19 -7.944 -4.331 0.773
187 QD PRO 19 QD PRO 19 -8.495 -2.389 -0.311
188 H ARG 20 H ARG 20 -11.465 -6.623 -2.356
189 HA ARG 20 HA ARG 20 -13.517 -5.769 -0.354
190 1HB ARG 20 1HB ARG 20 -13.816 -7.040 -3.090
191 2HB ARG 20 2HB ARG 20 -15.150 -6.864 -1.948
192 1HG ARG 20 1HG ARG 20 -14.741 -4.408 -1.891
193 2HG ARG 20 2HG ARG 20 -13.481 -4.612 -3.108
194 1HD ARG 20 2HD ARG 20 -15.600 -5.957 -4.241
195 2HD ARG 20 1HD ARG 20 -15.147 -4.294 -4.614
196 HE ARG 20 HE ARG 20 -17.255 -5.045 -2.629
197 1HH1 ARG 20 1HH1 ARG 20 -15.965 -2.288 -2.470
198 2HH1 ARG 20 2HH1 ARG 20 -17.087 -1.340 -3.389
199 1HH2 ARG 20 1HH2 ARG 20 -18.619 -4.085 -4.849
200 2HH2 ARG 20 2HH2 ARG 20 -18.589 -2.357 -4.733
201 QB ARG 20 QB ARG 20 -14.483 -6.952 -2.519
202 QG ARG 20 QG ARG 20 -14.111 -4.510 -2.499
203 QD ARG 20 QD ARG 20 -15.374 -5.125 -4.428
204 QH1 ARG 20 QH1 ARG 20 -16.526 -1.814 -2.930
205 QH2 ARG 20 QH2 ARG 20 -18.604 -3.221 -4.791
206 H THR 21 H THR 21 -11.411 -8.288 -1.276
207 HA THR 21 HA THR 21 -12.982 -10.219 0.387
208 HB THR 21 HB THR 21 -12.003 -12.019 -0.896
209 HG1 THR 21 HG1 THR 21 -10.641 -11.281 -2.743
210 1HG2 THR 21 1HG2 THR 21 -13.008 -9.742 -2.617
211 2HG2 THR 21 2HG2 THR 21 -12.777 -11.383 -3.217
212 3HG2 THR 21 3HG2 THR 21 -13.953 -11.069 -1.941
213 MG THR 21 MG THR 21 -13.246 -10.731 -2.592
214 H TYR 22 H TYR 22 -10.992 -12.084 0.850
215 HA TYR 22 HA TYR 22 -8.542 -10.816 1.766
216 1HB TYR 22 1HB TYR 22 -10.648 -10.415 3.457
217 2HB TYR 22 2HB TYR 22 -9.984 -11.920 4.094
218 HD1 TYR 22 HD1 TYR 22 -8.870 -8.545 2.888
219 HD2 TYR 22 HD2 TYR 22 -8.179 -11.826 5.572
220 HE1 TYR 22 HE1 TYR 22 -7.021 -7.281 3.954
221 HE2 TYR 22 HE2 TYR 22 -6.328 -10.564 6.638
222 HH TYR 22 HH TYR 22 -4.709 -8.378 5.509
223 QB TYR 22 QB TYR 22 -10.316 -11.168 3.775
224 QD TYR 22 QD TYR 22 -8.524 -10.185 4.230
225 QE TYR 22 QE TYR 22 -6.674 -8.922 5.296
226 QR TYR 22 QR TYR 22 -7.599 -9.554 4.763
227 H ALA 23 H ALA 23 -10.653 -13.611 2.621
228 HA ALA 23 HA ALA 23 -8.756 -15.450 3.347
229 1HB ALA 23 1HB ALA 23 -11.298 -15.696 1.821
230 2HB ALA 23 2HB ALA 23 -10.246 -17.110 1.885
231 3HB ALA 23 3HB ALA 23 -10.855 -16.397 3.378
232 MB ALA 23 MB ALA 23 -10.800 -16.401 2.361
233 H ASP 24 H ASP 24 -9.473 -14.485 0.069
234 HA ASP 24 HA ASP 24 -7.553 -16.324 -1.116
235 1HB ASP 24 1HB ASP 24 -9.681 -14.884 -2.098
236 2HB ASP 24 2HB ASP 24 -8.302 -13.972 -2.715
237 QB ASP 24 QB ASP 24 -8.992 -14.428 -2.407
238 H VAL 25 H VAL 25 -7.622 -12.748 -0.780
239 HA VAL 25 HA VAL 25 -5.121 -12.099 -1.767
240 HB VAL 25 HB VAL 25 -6.434 -11.052 0.760
241 1HG1 VAL 25 1HG1 VAL 25 -4.171 -9.896 -0.899
242 2HG1 VAL 25 2HG1 VAL 25 -4.975 -9.076 0.439
243 3HG1 VAL 25 3HG1 VAL 25 -4.029 -10.534 0.739
244 1HG2 VAL 25 1HG2 VAL 25 -7.242 -10.882 -1.886
245 2HG2 VAL 25 2HG2 VAL 25 -7.710 -9.765 -0.604
246 3HG2 VAL 25 3HG2 VAL 25 -6.346 -9.382 -1.653
247 MG1 VAL 25 MG1 VAL 25 -4.391 -9.835 0.093
248 MG2 VAL 25 MG2 VAL 25 -7.099 -10.010 -1.381
249 QG VAL 25 QG VAL 25 -5.745 -9.922 -0.644
250 H ARG 26 H ARG 26 -5.722 -12.965 1.651
251 HA ARG 26 HA ARG 26 -2.960 -13.222 2.337
252 1HB ARG 26 1HB ARG 26 -5.158 -13.128 3.823
253 2HB ARG 26 2HB ARG 26 -5.032 -14.884 3.716
254 1HG ARG 26 2HG ARG 26 -2.495 -14.406 4.322
255 2HG ARG 26 1HG ARG 26 -3.720 -14.498 5.588
256 1HD ARG 26 1HD ARG 26 -2.036 -12.423 5.401
257 2HD ARG 26 2HD ARG 26 -3.273 -11.847 4.284
258 HE ARG 26 HE ARG 26 -4.900 -12.252 6.239
259 1HH1 ARG 26 1HH1 ARG 26 -2.114 -13.073 7.642
260 2HH1 ARG 26 2HH1 ARG 26 -2.022 -11.768 8.777
261 1HH2 ARG 26 1HH2 ARG 26 -4.545 -9.927 7.274
262 2HH2 ARG 26 2HH2 ARG 26 -3.392 -9.988 8.566
263 QB ARG 26 QB ARG 26 -5.095 -14.006 3.770
264 QG ARG 26 QG ARG 26 -3.108 -14.452 4.955
265 QD ARG 26 QD ARG 26 -2.654 -12.135 4.842
266 QH1 ARG 26 QH1 ARG 26 -2.068 -12.421 8.209
267 QH2 ARG 26 QH2 ARG 26 -3.969 -9.957 7.920
268 H ASP 27 H ASP 27 -5.308 -15.521 1.002
269 HA ASP 27 HA ASP 27 -3.796 -17.900 1.420
270 1HB ASP 27 1HB ASP 27 -6.171 -17.834 0.622
271 2HB ASP 27 2HB ASP 27 -5.588 -17.278 -0.947
272 QB ASP 27 QB ASP 27 -5.880 -17.556 -0.162
273 H GLU 28 H GLU 28 -3.397 -15.281 -0.847
274 HA GLU 28 HA GLU 28 -1.832 -16.626 -2.823
275 1HB GLU 28 1HB GLU 28 -2.073 -13.778 -1.894
276 2HB GLU 28 2HB GLU 28 -0.767 -14.211 -2.996
277 1HG GLU 28 1HG GLU 28 -2.259 -14.891 -4.692
278 2HG GLU 28 2HG GLU 28 -3.613 -15.024 -3.570
279 QB GLU 28 QB GLU 28 -1.420 -13.995 -2.445
280 QG GLU 28 QG GLU 28 -2.936 -14.957 -4.131
281 H ILE 29 H ILE 29 -1.041 -15.334 0.355
282 HA ILE 29 HA ILE 29 1.796 -15.457 0.066
283 HB ILE 29 HB ILE 29 0.512 -14.266 1.893
284 1HG1 ILE 29 1HG1 ILE 29 2.718 -16.165 2.762
285 2HG1 ILE 29 2HG1 ILE 29 2.973 -14.609 1.970
286 1HG2 ILE 29 1HG2 ILE 29 -0.553 -16.787 2.298
287 2HG2 ILE 29 2HG2 ILE 29 0.615 -16.644 3.611
288 3HG2 ILE 29 3HG2 ILE 29 -0.664 -15.443 3.433
289 1HD1 ILE 29 1HD1 ILE 29 1.790 -13.489 3.849
290 2HD1 ILE 29 2HD1 ILE 29 1.623 -15.051 4.650
291 3HD1 ILE 29 3HD1 ILE 29 3.225 -14.359 4.393
292 MG ILE 29 MG ILE 29 -0.201 -16.291 3.114
293 MD ILE 29 MD ILE 29 2.213 -14.300 4.297
294 QG ILE 29 QG ILE 29 2.845 -15.387 2.366
295 H ASN 30 H ASN 30 -0.150 -18.011 -0.273
296 HA ASN 30 HA ASN 30 1.454 -19.911 1.295
297 1HB ASN 30 1HB ASN 30 -0.927 -20.359 1.223
298 2HB ASN 30 2HB ASN 30 -0.924 -20.295 -0.540
299 2HD2 ASN 30 1HD2 ASN 30 -0.739 -22.440 2.076
300 1HD2 ASN 30 2HD2 ASN 30 -0.077 -23.773 1.258
301 QB ASN 30 QB ASN 30 -0.926 -20.327 0.341
302 QD ASN 30 QD ASN 30 -0.408 -23.106 1.667
303 H LYS 31 H LYS 31 0.458 -19.692 -2.146
304 HA LYS 31 HA LYS 31 2.754 -21.334 -2.930
305 1HB LYS 31 2HB LYS 31 1.881 -21.132 -5.183
306 2HB LYS 31 1HB LYS 31 0.825 -19.804 -4.699
307 1HG LYS 31 1HG LYS 31 0.644 -22.491 -3.342
308 2HG LYS 31 2HG LYS 31 -0.578 -21.222 -3.446
309 1HD LYS 31 2HD LYS 31 -0.015 -21.855 -6.109
310 2HD LYS 31 1HD LYS 31 -1.443 -22.349 -5.198
311 1HE LYS 31 1HE LYS 31 -0.182 -24.258 -6.268
312 2HE LYS 31 2HE LYS 31 1.168 -23.889 -5.195
313 1HZ LYS 31 1HZ LYS 31 -0.613 -24.044 -3.363
314 2HZ LYS 31 2HZ LYS 31 -1.516 -24.901 -4.519
315 3HZ LYS 31 3HZ LYS 31 0.002 -25.481 -4.029
316 QB LYS 31 QB LYS 31 1.353 -20.468 -4.941
317 QD LYS 31 QD LYS 31 -0.729 -22.102 -5.654
318 QG LYS 31 QG LYS 31 0.033 -21.856 -3.394
319 QE LYS 31 QE LYS 31 0.493 -24.074 -5.732
320 QZ LYS 31 QZ LYS 31 -0.709 -24.809 -3.970
321 H ARG 32 H ARG 32 2.207 -17.971 -2.441
322 HA ARG 32 HA ARG 32 4.320 -17.195 -4.355
323 1HB ARG 32 1HB ARG 32 3.714 -14.952 -3.929
324 2HB ARG 32 2HB ARG 32 2.184 -15.824 -3.861
325 1HG ARG 32 2HG ARG 32 3.227 -15.969 -1.257
326 2HG ARG 32 1HG ARG 32 1.880 -14.970 -1.802
327 1HD ARG 32 1HD ARG 32 4.512 -14.149 -0.955
328 2HD ARG 32 2HD ARG 32 4.245 -13.646 -2.623
329 HE ARG 32 HE ARG 32 1.916 -12.993 -1.130
330 1HH1 ARG 32 1HH1 ARG 32 5.245 -12.365 -0.693
331 2HH1 ARG 32 2HH1 ARG 32 5.044 -10.661 -0.460
332 1HH2 ARG 32 1HH2 ARG 32 1.645 -10.700 -1.142
333 2HH2 ARG 32 2HH2 ARG 32 3.008 -9.718 -0.714
334 QB ARG 32 QB ARG 32 2.949 -15.388 -3.895
335 QG ARG 32 QG ARG 32 2.553 -15.470 -1.530
336 QD ARG 32 QD ARG 32 4.378 -13.897 -1.789
337 QH1 ARG 32 QH1 ARG 32 5.145 -11.513 -0.577
338 QH2 ARG 32 QH2 ARG 32 2.327 -10.209 -0.928
339 H GLY 33 H GLY 33 5.340 -18.929 -2.487
340 1HA GLY 33 1HA GLY 33 6.474 -17.552 -0.198
341 2HA GLY 33 2HA GLY 33 6.955 -19.144 -0.785
342 QA GLY 33 QA GLY 33 6.714 -18.348 -0.492
343 H ARG 34 H ARG 34 8.589 -19.278 -2.416
344 HA ARG 34 HA ARG 34 10.303 -16.849 -2.539
345 1HB ARG 34 1HB ARG 34 12.062 -18.432 -3.320
346 2HB ARG 34 2HB ARG 34 11.401 -18.892 -1.749
347 1HG ARG 34 1HG ARG 34 10.620 -20.849 -2.559
348 2HG ARG 34 2HG ARG 34 9.865 -20.049 -3.939
349 1HD ARG 34 1HD ARG 34 11.685 -21.707 -4.542
350 2HD ARG 34 2HD ARG 34 11.922 -20.082 -5.186
351 HE ARG 34 HE ARG 34 13.288 -20.016 -2.789
352 1HH1 ARG 34 1HH1 ARG 34 13.265 -21.995 -5.618
353 2HH1 ARG 34 2HH1 ARG 34 14.910 -22.502 -5.435
354 1HH2 ARG 34 1HH2 ARG 34 15.420 -20.711 -2.510
355 2HH2 ARG 34 2HH2 ARG 34 16.129 -21.778 -3.676
356 QB ARG 34 QB ARG 34 11.732 -18.662 -2.534
357 QG ARG 34 QG ARG 34 10.242 -20.449 -3.249
358 QD ARG 34 QD ARG 34 11.804 -20.894 -4.864
359 QH1 ARG 34 QH1 ARG 34 14.087 -22.249 -5.526
360 QH2 ARG 34 QH2 ARG 34 15.775 -21.244 -3.093
No H/Q in entry = 360
Start of MODEL 6
1 H1 MET 1 H1 MET 1 -23.558 6.775 2.612
2 H2 MET 1 H2 MET 1 -22.466 5.565 2.146
3 H3 MET 1 H3 MET 1 -23.631 5.241 3.339
4 HA MET 1 HA MET 1 -22.503 6.302 4.968
5 1HB MET 1 1HB MET 1 -20.874 4.827 3.157
6 2HB MET 1 2HB MET 1 -19.927 6.210 3.706
7 1HG MET 1 2HG MET 1 -20.743 5.584 6.076
8 2HG MET 1 1HG MET 1 -19.519 4.549 5.342
9 1HE MET 1 1HE MET 1 -21.870 4.613 7.517
10 2HE MET 1 2HE MET 1 -23.393 4.608 6.616
11 3HE MET 1 3HE MET 1 -22.865 3.160 7.470
12 QB MET 1 QB MET 1 -20.400 5.518 3.431
13 QG MET 1 QG MET 1 -20.131 5.067 5.709
14 ME MET 1 ME MET 1 -22.710 4.127 7.201
15 H SER 2 H SER 2 -20.037 7.748 4.847
16 HA SER 2 HA SER 2 -20.254 10.031 3.088
17 1HB SER 2 1HB SER 2 -21.293 10.291 5.919
18 2HB SER 2 2HB SER 2 -20.787 11.676 4.955
19 HG SER 2 HG SER 2 -22.321 10.950 3.364
20 QB SER 2 QB SER 2 -21.040 10.983 5.437
21 H TRP 3 H TRP 3 -18.649 11.754 3.767
22 HA TRP 3 HA TRP 3 -16.350 12.140 4.215
23 1HB TRP 3 1HB TRP 3 -17.870 11.667 6.663
24 2HB TRP 3 2HB TRP 3 -16.151 11.326 6.866
25 HD1 TRP 3 HD1 TRP 3 -14.610 13.391 5.452
26 HE1 TRP 3 HE1 TRP 3 -14.856 15.926 5.857
27 HE3 TRP 3 HE3 TRP 3 -19.276 13.503 7.519
28 HZ2 TRP 3 HZ2 TRP 3 -16.779 17.757 6.920
29 HZ3 TRP 3 HZ3 TRP 3 -20.290 15.652 8.220
30 HH2 TRP 3 HH2 TRP 3 -19.049 17.778 7.923
31 QB TRP 3 QB TRP 3 -17.011 11.497 6.764
32 H ALA 4 H ALA 4 -15.985 9.985 2.770
33 HA ALA 4 HA ALA 4 -15.129 7.663 4.347
34 1HB ALA 4 1HB ALA 4 -16.211 7.652 1.990
35 2HB ALA 4 2HB ALA 4 -14.602 8.076 1.408
36 3HB ALA 4 3HB ALA 4 -14.855 6.564 2.279
37 MB ALA 4 MB ALA 4 -15.223 7.431 1.892
38 H LEU 5 H LEU 5 -13.671 10.175 4.842
39 HA LEU 5 HA LEU 5 -11.115 10.011 3.470
40 1HB LEU 5 1HB LEU 5 -12.143 11.537 5.863
41 2HB LEU 5 2HB LEU 5 -10.436 11.575 5.421
42 HG LEU 5 HG LEU 5 -12.448 12.063 3.265
43 1HD1 LEU 5 1HD1 LEU 5 -12.677 13.485 5.616
44 2HD1 LEU 5 2HD1 LEU 5 -11.574 14.491 4.678
45 3HD1 LEU 5 3HD1 LEU 5 -13.160 14.079 4.028
46 1HD2 LEU 5 1HD2 LEU 5 -9.951 11.935 2.912
47 2HD2 LEU 5 2HD2 LEU 5 -10.671 13.460 2.393
48 3HD2 LEU 5 3HD2 LEU 5 -9.792 13.373 3.920
49 MD1 LEU 5 MD1 LEU 5 -12.471 14.019 4.774
50 MD2 LEU 5 MD2 LEU 5 -10.138 12.923 3.075
51 QB LEU 5 QB LEU 5 -11.290 11.556 5.642
52 QD LEU 5 QD LEU 5 -11.304 13.471 3.924
53 H GLU 6 H GLU 6 -12.547 8.446 6.202
54 HA GLU 6 HA GLU 6 -10.077 7.767 7.561
55 1HB GLU 6 1HB GLU 6 -12.437 7.741 8.553
56 2HB GLU 6 2HB GLU 6 -12.672 6.217 7.695
57 1HG GLU 6 1HG GLU 6 -10.295 5.702 8.872
58 2HG GLU 6 2HG GLU 6 -10.973 6.818 10.058
59 QB GLU 6 QB GLU 6 -12.554 6.979 8.124
60 QG GLU 6 QG GLU 6 -10.634 6.260 9.465
61 H MET 7 H MET 7 -12.183 6.067 5.237
62 HA MET 7 HA MET 7 -10.415 3.739 5.145
63 1HB MET 7 1HB MET 7 -13.056 4.357 4.293
64 2HB MET 7 2HB MET 7 -12.141 3.920 2.850
65 1HG MET 7 1HG MET 7 -11.587 2.173 5.142
66 2HG MET 7 2HG MET 7 -13.270 2.124 4.618
67 1HE MET 7 1HE MET 7 -11.974 -0.333 4.611
68 2HE MET 7 2HE MET 7 -13.397 -0.309 3.572
69 3HE MET 7 3HE MET 7 -11.907 -1.053 2.997
70 QB MET 7 QB MET 7 -12.599 4.138 3.571
71 QG MET 7 QG MET 7 -12.428 2.148 4.880
72 ME MET 7 ME MET 7 -12.426 -0.565 3.727
73 H ALA 8 H ALA 8 -10.874 6.700 3.382
74 HA ALA 8 HA ALA 8 -9.187 5.991 1.105
75 1HB ALA 8 1HB ALA 8 -11.144 7.675 1.179
76 2HB ALA 8 3HB ALA 8 -9.705 8.117 0.263
77 3HB ALA 8 2HB ALA 8 -9.966 8.790 1.871
78 MB ALA 8 MB ALA 8 -10.272 8.194 1.104
79 H ASP 9 H ASP 9 -8.460 7.475 4.204
80 HA ASP 9 HA ASP 9 -6.506 9.181 3.914
81 1HB ASP 9 1HB ASP 9 -7.243 7.506 5.924
82 2HB ASP 9 2HB ASP 9 -5.602 6.945 5.607
83 QB ASP 9 QB ASP 9 -6.423 7.226 5.766
84 H THR 10 H THR 10 -4.129 7.773 4.815
85 HA THR 10 HA THR 10 -2.291 7.954 2.888
86 HB THR 10 HB THR 10 -2.213 5.380 4.431
87 HG1 THR 10 HG1 THR 10 -1.752 7.933 5.558
88 1HG2 THR 10 1HG2 THR 10 -0.393 6.904 2.948
89 2HG2 THR 10 2HG2 THR 10 0.024 7.222 4.632
90 3HG2 THR 10 3HG2 THR 10 -0.005 5.565 4.028
91 MG THR 10 MG THR 10 -0.125 6.564 3.869
92 H PHE 11 H PHE 11 -3.706 7.540 0.983
93 HA PHE 11 HA PHE 11 -4.517 6.241 -0.775
94 1HB PHE 11 1HB PHE 11 -2.636 4.049 -0.346
95 2HB PHE 11 2HB PHE 11 -2.938 5.018 -1.784
96 HD1 PHE 11 HD1 PHE 11 -2.175 7.573 -1.553
97 HD2 PHE 11 HD2 PHE 11 -0.569 4.302 0.720
98 HE1 PHE 11 HE1 PHE 11 -0.130 8.897 -1.094
99 HE2 PHE 11 HE2 PHE 11 1.477 5.627 1.180
100 HZ PHE 11 HZ PHE 11 1.697 7.925 0.273
101 QB PHE 11 QB PHE 11 -2.787 4.534 -1.065
102 QD PHE 11 QD PHE 11 -1.372 5.938 -0.417
103 QE PHE 11 QE PHE 11 0.674 7.262 0.043
104 QR PHE 11 QR PHE 11 0.060 6.865 -0.095
105 H LEU 12 H LEU 12 -5.168 5.647 2.164
106 HA LEU 12 HA LEU 12 -5.712 2.912 2.493
107 1HB LEU 12 1HB LEU 12 -5.936 5.182 4.004
108 2HB LEU 12 2HB LEU 12 -7.617 4.951 3.570
109 HG LEU 12 HG LEU 12 -5.823 2.867 4.858
110 1HD1 LEU 12 1HD1 LEU 12 -6.959 5.050 6.061
111 2HD1 LEU 12 2HD1 LEU 12 -8.227 3.842 6.262
112 3HD1 LEU 12 3HD1 LEU 12 -6.607 3.532 6.885
113 1HD2 LEU 12 1HD2 LEU 12 -8.102 2.463 3.317
114 2HD2 LEU 12 2HD2 LEU 12 -7.451 1.333 4.502
115 3HD2 LEU 12 3HD2 LEU 12 -8.721 2.465 4.965
116 MD1 LEU 12 MD1 LEU 12 -7.264 4.141 6.403
117 MD2 LEU 12 MD2 LEU 12 -8.091 2.087 4.261
118 QB LEU 12 QB LEU 12 -6.776 5.066 3.787
119 QD LEU 12 QD LEU 12 -7.678 3.114 5.332
120 H ASP 13 H ASP 13 -6.931 5.516 0.573
121 HA ASP 13 HA ASP 13 -9.554 4.647 -0.064
122 1HB ASP 13 1HB ASP 13 -8.446 6.768 -0.859
123 2HB ASP 13 2HB ASP 13 -7.555 5.796 -2.031
124 QB ASP 13 QB ASP 13 -8.000 6.282 -1.445
125 H ASN 14 H ASN 14 -6.637 3.920 -2.046
126 HA ASN 14 HA ASN 14 -8.046 1.415 -2.880
127 1HB ASN 14 1HB ASN 14 -6.077 3.184 -4.341
128 2HB ASN 14 2HB ASN 14 -6.480 1.557 -4.891
129 2HD2 ASN 14 1HD2 ASN 14 -9.021 1.186 -4.986
130 1HD2 ASN 14 2HD2 ASN 14 -9.917 2.464 -5.651
131 QB ASN 14 QB ASN 14 -6.278 2.370 -4.616
132 QD ASN 14 QD ASN 14 -9.469 1.825 -5.319
133 H MET 15 H MET 15 -6.446 1.583 -0.473
134 HA MET 15 HA MET 15 -3.907 0.236 -1.206
135 1HB MET 15 1HB MET 15 -4.792 1.812 1.021
136 2HB MET 15 2HB MET 15 -4.291 0.229 1.612
137 1HG MET 15 1HG MET 15 -2.261 0.639 -0.061
138 2HG MET 15 2HG MET 15 -2.678 2.325 0.226
139 1HE MET 15 1HE MET 15 -0.104 1.451 0.644
140 2HE MET 15 2HE MET 15 0.502 1.295 2.290
141 3HE MET 15 3HE MET 15 -0.102 -0.127 1.443
142 QB MET 15 QB MET 15 -4.541 1.021 1.316
143 QG MET 15 QG MET 15 -2.470 1.482 0.083
144 ME MET 15 ME MET 15 0.098 0.873 1.459
145 H ARG 16 H ARG 16 -5.861 -1.399 -2.034
146 HA ARG 16 HA ARG 16 -6.905 -3.181 -0.035
147 1HB ARG 16 1HB ARG 16 -7.006 -2.930 -2.891
148 2HB ARG 16 2HB ARG 16 -6.586 -4.593 -2.480
149 1HG ARG 16 1HG ARG 16 -8.549 -4.896 -1.195
150 2HG ARG 16 2HG ARG 16 -8.848 -3.161 -1.088
151 1HD ARG 16 2HD ARG 16 -8.772 -3.698 -3.836
152 2HD ARG 16 1HD ARG 16 -10.211 -3.380 -2.870
153 HE ARG 16 HE ARG 16 -10.649 -5.734 -2.807
154 1HH1 ARG 16 1HH1 ARG 16 -8.115 -7.008 -2.344
155 2HH1 ARG 16 2HH1 ARG 16 -7.668 -7.657 -3.887
156 1HH2 ARG 16 1HH2 ARG 16 -9.879 -5.662 -5.663
157 2HH2 ARG 16 2HH2 ARG 16 -8.667 -6.896 -5.764
158 QB ARG 16 QB ARG 16 -6.796 -3.762 -2.686
159 QG ARG 16 QG ARG 16 -8.698 -4.028 -1.141
160 QD ARG 16 QD ARG 16 -9.492 -3.539 -3.353
161 QH1 ARG 16 QH1 ARG 16 -7.892 -7.332 -3.116
162 QH2 ARG 16 QH2 ARG 16 -9.273 -6.279 -5.714
163 H VAL 17 H VAL 17 -3.820 -2.844 -1.483
164 HA VAL 17 HA VAL 17 -3.007 -5.513 -0.401
165 HB VAL 17 HB VAL 17 -2.717 -5.072 -2.897
166 1HG1 VAL 17 1HG1 VAL 17 -0.725 -3.094 -1.764
167 2HG1 VAL 17 2HG1 VAL 17 -0.614 -3.725 -3.406
168 3HG1 VAL 17 3HG1 VAL 17 -2.023 -2.784 -2.916
169 1HG2 VAL 17 1HG2 VAL 17 -0.241 -5.635 -1.234
170 2HG2 VAL 17 2HG2 VAL 17 -1.458 -6.821 -1.703
171 3HG2 VAL 17 3HG2 VAL 17 -0.448 -6.060 -2.932
172 MG1 VAL 17 MG1 VAL 17 -1.121 -3.201 -2.695
173 MG2 VAL 17 MG2 VAL 17 -0.716 -6.172 -1.957
174 QG VAL 17 QG VAL 17 -0.918 -4.686 -2.326
175 H GLY 18 H GLY 18 -3.202 -2.731 0.901
176 1HA GLY 18 1HA GLY 18 -0.373 -2.163 1.499
177 2HA GLY 18 2HA GLY 18 -1.756 -1.237 2.072
178 QA GLY 18 QA GLY 18 -1.065 -1.700 1.785
179 1HB PRO 19 1HB PRO 19 -4.391 -4.620 6.012
180 2HB PRO 19 2HB PRO 19 -4.059 -2.889 6.187
181 1HG PRO 19 2HG PRO 19 -5.479 -2.631 4.391
182 2HG PRO 19 1HG PRO 19 -5.322 -4.329 3.911
183 1HD PRO 19 1HD PRO 19 -3.873 -3.652 2.278
184 2HD PRO 19 2HD PRO 19 -3.849 -1.991 2.912
185 QB PRO 19 QB PRO 19 -4.225 -3.754 6.100
186 QG PRO 19 QG PRO 19 -5.400 -3.480 4.151
187 QD PRO 19 QD PRO 19 -3.861 -2.821 2.595
188 H ARG 20 H ARG 20 -2.999 -5.842 6.777
189 HA ARG 20 HA ARG 20 -1.352 -7.874 5.466
190 1HB ARG 20 1HB ARG 20 -1.888 -9.262 7.350
191 2HB ARG 20 2HB ARG 20 -1.642 -7.632 7.977
192 1HG ARG 20 1HG ARG 20 -4.198 -7.346 7.662
193 2HG ARG 20 2HG ARG 20 -4.238 -9.106 7.553
194 1HD ARG 20 2HD ARG 20 -2.615 -8.607 9.766
195 2HD ARG 20 1HD ARG 20 -4.301 -9.125 9.811
196 HE ARG 20 HE ARG 20 -4.314 -6.317 9.494
197 1HH1 ARG 20 1HH1 ARG 20 -4.443 -8.771 11.791
198 2HH1 ARG 20 2HH1 ARG 20 -4.141 -7.747 13.155
199 1HH2 ARG 20 1HH2 ARG 20 -3.422 -4.950 11.235
200 2HH2 ARG 20 2HH2 ARG 20 -3.566 -5.584 12.841
201 QB ARG 20 QB ARG 20 -1.765 -8.447 7.664
202 QG ARG 20 QG ARG 20 -4.218 -8.226 7.608
203 QD ARG 20 QD ARG 20 -3.458 -8.866 9.788
204 QH1 ARG 20 QH1 ARG 20 -4.292 -8.259 12.473
205 QH2 ARG 20 QH2 ARG 20 -3.494 -5.267 12.038
206 H THR 21 H THR 21 -4.198 -6.698 4.522
207 HA THR 21 HA THR 21 -5.865 -9.040 4.319
208 HB THR 21 HB THR 21 -6.687 -6.690 4.031
209 HG1 THR 21 HG1 THR 21 -8.159 -7.296 2.554
210 1HG2 THR 21 1HG2 THR 21 -4.617 -6.131 2.563
211 2HG2 THR 21 2HG2 THR 21 -5.567 -6.811 1.241
212 3HG2 THR 21 3HG2 THR 21 -6.168 -5.411 2.130
213 MG THR 21 MG THR 21 -5.451 -6.118 1.978
214 H TYR 22 H TYR 22 -5.909 -10.628 2.727
215 HA TYR 22 HA TYR 22 -5.236 -11.826 0.805
216 1HB TYR 22 1HB TYR 22 -5.309 -9.413 -0.207
217 2HB TYR 22 2HB TYR 22 -3.554 -9.480 -0.052
218 HD1 TYR 22 HD1 TYR 22 -6.089 -12.101 -0.921
219 HD2 TYR 22 HD2 TYR 22 -2.636 -9.871 -2.168
220 HE1 TYR 22 HE1 TYR 22 -5.955 -13.465 -2.989
221 HE2 TYR 22 HE2 TYR 22 -2.502 -11.234 -4.236
222 HH TYR 22 HH TYR 22 -3.223 -13.394 -5.063
223 QB TYR 22 QB TYR 22 -4.432 -9.447 -0.130
224 QD TYR 22 QD TYR 22 -4.363 -10.986 -1.545
225 QE TYR 22 QE TYR 22 -4.229 -12.350 -3.612
226 QR TYR 22 QR TYR 22 -4.296 -11.668 -2.578
227 H ALA 23 H ALA 23 -3.410 -10.850 3.318
228 HA ALA 23 HA ALA 23 -0.753 -11.510 2.430
229 1HB ALA 23 3HB ALA 23 -0.793 -10.249 4.413
230 2HB ALA 23 2HB ALA 23 -0.429 -11.874 4.992
231 3HB ALA 23 1HB ALA 23 -2.071 -11.241 5.118
232 MB ALA 23 MB ALA 23 -1.098 -11.121 4.841
233 H ASP 24 H ASP 24 -3.452 -13.288 3.629
234 HA ASP 24 HA ASP 24 -2.013 -15.761 4.137
235 1HB ASP 24 1HB ASP 24 -4.851 -14.875 4.134
236 2HB ASP 24 2HB ASP 24 -4.565 -16.592 3.846
237 QB ASP 24 QB ASP 24 -4.708 -15.733 3.990
238 H VAL 25 H VAL 25 -4.623 -15.200 1.746
239 HA VAL 25 HA VAL 25 -4.062 -17.380 0.095
240 HB VAL 25 HB VAL 25 -4.974 -14.620 -0.777
241 1HG1 VAL 25 1HG1 VAL 25 -4.347 -16.985 -2.273
242 2HG1 VAL 25 2HG1 VAL 25 -6.091 -16.736 -2.325
243 3HG1 VAL 25 3HG1 VAL 25 -5.001 -15.458 -2.864
244 1HG2 VAL 25 1HG2 VAL 25 -6.297 -15.850 1.043
245 2HG2 VAL 25 2HG2 VAL 25 -7.200 -15.401 -0.404
246 3HG2 VAL 25 3HG2 VAL 25 -6.657 -17.064 -0.184
247 MG1 VAL 25 MG1 VAL 25 -5.146 -16.393 -2.487
248 MG2 VAL 25 MG2 VAL 25 -6.718 -16.105 0.151
249 QG VAL 25 QG VAL 25 -5.932 -16.249 -1.168
250 H ARG 26 H ARG 26 -2.669 -14.095 -0.133
251 HA ARG 26 HA ARG 26 -0.998 -14.658 -2.389
252 1HB ARG 26 1HB ARG 26 -1.593 -12.374 -1.354
253 2HB ARG 26 2HB ARG 26 -0.287 -12.691 -0.212
254 1HG ARG 26 1HG ARG 26 1.291 -12.981 -2.081
255 2HG ARG 26 2HG ARG 26 -0.011 -12.678 -3.232
256 1HD ARG 26 1HD ARG 26 -0.295 -10.421 -2.428
257 2HD ARG 26 2HD ARG 26 0.812 -10.707 -1.086
258 HE ARG 26 HE ARG 26 1.836 -10.928 -3.874
259 1HH1 ARG 26 1HH1 ARG 26 3.742 -11.077 -1.626
260 2HH1 ARG 26 2HH1 ARG 26 4.308 -9.445 -1.488
261 1HH2 ARG 26 1HH2 ARG 26 1.698 -8.101 -3.335
262 2HH2 ARG 26 2HH2 ARG 26 3.152 -7.761 -2.457
263 QB ARG 26 QB ARG 26 -0.940 -12.533 -0.783
264 QG ARG 26 QG ARG 26 0.640 -12.829 -2.656
265 QD ARG 26 QD ARG 26 0.259 -10.564 -1.757
266 QH1 ARG 26 QH1 ARG 26 4.025 -10.261 -1.557
267 QH2 ARG 26 QH2 ARG 26 2.425 -7.931 -2.896
268 H ASP 27 H ASP 27 -0.538 -15.202 1.075
269 HA ASP 27 HA ASP 27 2.300 -15.800 0.805
270 1HB ASP 27 1HB ASP 27 1.330 -15.008 2.942
271 2HB ASP 27 2HB ASP 27 0.374 -16.487 3.046
272 QB ASP 27 QB ASP 27 0.852 -15.748 2.994
273 H GLU 28 H GLU 28 -0.654 -17.605 0.438
274 HA GLU 28 HA GLU 28 0.361 -20.226 0.923
275 1HB GLU 28 1HB GLU 28 -1.841 -19.191 -0.878
276 2HB GLU 28 2HB GLU 28 -1.476 -20.910 -0.736
277 1HG GLU 28 1HG GLU 28 -1.742 -20.650 1.774
278 2HG GLU 28 2HG GLU 28 -2.365 -19.030 1.464
279 QB GLU 28 QB GLU 28 -1.659 -20.050 -0.807
280 QG GLU 28 QG GLU 28 -2.053 -19.840 1.619
281 H ILE 29 H ILE 29 0.479 -18.122 -1.920
282 HA ILE 29 HA ILE 29 1.651 -20.177 -3.603
283 HB ILE 29 HB ILE 29 1.592 -17.164 -3.919
284 1HG1 ILE 29 1HG1 ILE 29 -0.076 -19.196 -5.400
285 2HG1 ILE 29 2HG1 ILE 29 -0.599 -18.551 -3.844
286 1HG2 ILE 29 1HG2 ILE 29 2.710 -19.373 -5.567
287 2HG2 ILE 29 2HG2 ILE 29 1.803 -18.131 -6.430
288 3HG2 ILE 29 3HG2 ILE 29 3.207 -17.684 -5.462
289 1HD1 ILE 29 1HD1 ILE 29 0.326 -16.538 -5.810
290 2HD1 ILE 29 2HD1 ILE 29 -1.176 -17.365 -6.219
291 3HD1 ILE 29 3HD1 ILE 29 -1.041 -16.481 -4.699
292 MG ILE 29 MG ILE 29 2.573 -18.396 -5.820
293 MD ILE 29 MD ILE 29 -0.631 -16.794 -5.576
294 QG ILE 29 QG ILE 29 -0.338 -18.874 -4.622
295 H ASN 30 H ASN 30 2.977 -19.335 -0.977
296 HA ASN 30 HA ASN 30 5.682 -18.783 -2.067
297 1HB ASN 30 1HB ASN 30 4.634 -17.186 -0.329
298 2HB ASN 30 2HB ASN 30 4.887 -18.493 0.829
299 2HD2 ASN 30 1HD2 ASN 30 6.951 -17.382 -1.913
300 1HD2 ASN 30 2HD2 ASN 30 8.322 -17.094 -0.955
301 QB ASN 30 QB ASN 30 4.761 -17.839 0.250
302 QD ASN 30 QD ASN 30 7.636 -17.238 -1.434
303 H LYS 31 H LYS 31 4.243 -20.469 0.764
304 HA LYS 31 HA LYS 31 5.969 -22.801 0.084
305 1HB LYS 31 1HB LYS 31 6.817 -21.231 2.005
306 2HB LYS 31 2HB LYS 31 5.534 -21.991 2.947
307 1HG LYS 31 1HG LYS 31 6.671 -24.181 1.791
308 2HG LYS 31 2HG LYS 31 8.079 -23.134 1.966
309 1HD LYS 31 1HD LYS 31 7.079 -22.743 4.389
310 2HD LYS 31 2HD LYS 31 6.313 -24.303 4.083
311 1HE LYS 31 1HE LYS 31 9.284 -23.770 3.794
312 2HE LYS 31 2HE LYS 31 8.539 -24.514 5.208
313 1HZ LYS 31 1HZ LYS 31 8.300 -25.567 2.443
314 2HZ LYS 31 2HZ LYS 31 9.417 -26.133 3.586
315 3HZ LYS 31 3HZ LYS 31 7.752 -26.312 3.868
316 QB LYS 31 QB LYS 31 6.175 -21.611 2.476
317 QD LYS 31 QD LYS 31 6.696 -23.523 4.236
318 QG LYS 31 QG LYS 31 7.375 -23.658 1.879
319 QE LYS 31 QE LYS 31 8.912 -24.142 4.501
320 QZ LYS 31 QZ LYS 31 8.490 -26.004 3.299
321 H ARG 32 H ARG 32 3.077 -22.359 -0.363
322 HA ARG 32 HA ARG 32 1.570 -23.666 1.700
323 1HB ARG 32 2HB ARG 32 0.503 -22.302 -0.063
324 2HB ARG 32 1HB ARG 32 -0.188 -23.921 0.000
325 1HG ARG 32 1HG ARG 32 1.922 -22.942 -1.947
326 2HG ARG 32 2HG ARG 32 1.338 -24.604 -1.850
327 1HD ARG 32 1HD ARG 32 -1.032 -23.448 -2.078
328 2HD ARG 32 2HD ARG 32 -0.088 -22.150 -2.807
329 HE ARG 32 HE ARG 32 -0.464 -24.856 -3.928
330 1HH1 ARG 32 1HH1 ARG 32 2.333 -24.415 -4.432
331 2HH1 ARG 32 2HH1 ARG 32 2.364 -23.429 -5.856
332 1HH2 ARG 32 1HH2 ARG 32 -0.953 -22.454 -5.576
333 2HH2 ARG 32 2HH2 ARG 32 0.503 -22.319 -6.503
334 QB ARG 32 QB ARG 32 0.158 -23.112 -0.031
335 QG ARG 32 QG ARG 32 1.630 -23.773 -1.899
336 QD ARG 32 QD ARG 32 -0.560 -22.799 -2.442
337 QH1 ARG 32 QH1 ARG 32 2.349 -23.922 -5.144
338 QH2 ARG 32 QH2 ARG 32 -0.225 -22.387 -6.039
339 H GLY 33 H GLY 33 3.945 -24.948 -0.254
340 1HA GLY 33 1HA GLY 33 3.020 -27.426 -1.141
341 2HA GLY 33 2HA GLY 33 4.651 -27.176 -0.512
342 QA GLY 33 QA GLY 33 3.836 -27.301 -0.827
343 H ARG 34 H ARG 34 1.994 -29.039 -0.072
344 HA ARG 34 HA ARG 34 2.850 -29.768 2.654
345 1HB ARG 34 1HB ARG 34 0.952 -27.960 2.697
346 2HB ARG 34 2HB ARG 34 -0.090 -29.300 2.218
347 1HG ARG 34 1HG ARG 34 0.051 -30.305 4.256
348 2HG ARG 34 2HG ARG 34 1.762 -29.912 4.437
349 1HD ARG 34 2HD ARG 34 0.928 -27.463 4.741
350 2HD ARG 34 1HD ARG 34 0.746 -28.585 6.090
351 HE ARG 34 HE ARG 34 -1.611 -28.719 4.497
352 1HH1 ARG 34 1HH1 ARG 34 -0.460 -27.600 7.394
353 2HH1 ARG 34 2HH1 ARG 34 -1.590 -26.298 7.568
354 1HH2 ARG 34 1HH2 ARG 34 -2.822 -26.590 4.339
355 2HH2 ARG 34 2HH2 ARG 34 -2.928 -25.725 5.837
356 QB ARG 34 QB ARG 34 0.431 -28.630 2.458
357 QG ARG 34 QG ARG 34 0.907 -30.108 4.347
358 QD ARG 34 QD ARG 34 0.837 -28.024 5.416
359 QH1 ARG 34 QH1 ARG 34 -1.025 -26.949 7.481
360 QH2 ARG 34 QH2 ARG 34 -2.875 -26.158 5.088
No H/Q in entry = 360
Start of MODEL 7
1 H1 MET 1 H1 MET 1 -18.767 16.337 0.554
2 H2 MET 1 H2 MET 1 -20.216 16.539 -0.310
3 H3 MET 1 H3 MET 1 -19.866 17.544 1.015
4 HA MET 1 HA MET 1 -21.237 16.126 2.084
5 1HB MET 1 1HB MET 1 -21.263 13.637 1.369
6 2HB MET 1 2HB MET 1 -21.975 14.811 0.260
7 1HG MET 1 1HG MET 1 -20.490 14.264 -1.339
8 2HG MET 1 2HG MET 1 -19.145 14.598 -0.249
9 1HE MET 1 1HE MET 1 -21.695 12.507 -1.595
10 2HE MET 1 2HE MET 1 -21.047 10.871 -1.664
11 3HE MET 1 3HE MET 1 -21.968 11.388 -0.253
12 QB MET 1 QB MET 1 -21.619 14.224 0.814
13 QG MET 1 QG MET 1 -19.818 14.431 -0.794
14 ME MET 1 ME MET 1 -21.570 11.588 -1.171
15 H SER 2 H SER 2 -19.999 16.310 3.961
16 HA SER 2 HA SER 2 -17.415 15.288 4.410
17 1HB SER 2 1HB SER 2 -17.869 15.515 6.758
18 2HB SER 2 2HB SER 2 -18.761 16.800 5.949
19 HG SER 2 HG SER 2 -20.027 15.633 7.489
20 QB SER 2 QB SER 2 -18.315 16.157 6.353
21 H TRP 3 H TRP 3 -16.875 13.372 5.863
22 HA TRP 3 HA TRP 3 -18.639 11.182 6.241
23 1HB TRP 3 1HB TRP 3 -18.212 11.495 3.564
24 2HB TRP 3 2HB TRP 3 -16.898 10.394 3.981
25 HD1 TRP 3 HD1 TRP 3 -19.071 9.376 6.477
26 HE1 TRP 3 HE1 TRP 3 -20.677 7.486 5.771
27 HE3 TRP 3 HE3 TRP 3 -18.698 9.752 1.398
28 HZ2 TRP 3 HZ2 TRP 3 -21.671 6.292 3.370
29 HZ3 TRP 3 HZ3 TRP 3 -19.985 8.228 -0.073
30 HH2 TRP 3 HH2 TRP 3 -21.469 6.499 0.905
31 QB TRP 3 QB TRP 3 -17.555 10.945 3.773
32 H ALA 4 H ALA 4 -16.917 9.020 5.826
33 HA ALA 4 HA ALA 4 -14.780 9.654 7.791
34 1HB ALA 4 2HB ALA 4 -15.211 6.869 6.849
35 2HB ALA 4 1HB ALA 4 -16.539 7.602 7.750
36 3HB ALA 4 3HB ALA 4 -14.939 7.475 8.483
37 MB ALA 4 MB ALA 4 -15.563 7.316 7.694
38 H LEU 5 H LEU 5 -14.489 10.502 4.996
39 HA LEU 5 HA LEU 5 -12.777 8.641 3.602
40 1HB LEU 5 1HB LEU 5 -13.362 11.584 3.336
41 2HB LEU 5 2HB LEU 5 -12.087 10.831 2.376
42 HG LEU 5 HG LEU 5 -14.615 9.321 2.412
43 1HD1 LEU 5 1HD1 LEU 5 -15.273 11.822 2.408
44 2HD1 LEU 5 2HD1 LEU 5 -14.541 11.876 0.804
45 3HD1 LEU 5 3HD1 LEU 5 -15.915 10.813 1.112
46 1HD2 LEU 5 1HD2 LEU 5 -12.334 9.912 0.673
47 2HD2 LEU 5 2HD2 LEU 5 -13.379 8.492 0.706
48 3HD2 LEU 5 3HD2 LEU 5 -13.869 9.927 -0.195
49 MD1 LEU 5 MD1 LEU 5 -15.243 11.504 1.441
50 MD2 LEU 5 MD2 LEU 5 -13.194 9.444 0.395
51 QB LEU 5 QB LEU 5 -12.725 11.208 2.856
52 QD LEU 5 QD LEU 5 -14.219 10.474 0.918
53 H GLU 6 H GLU 6 -12.231 11.060 6.080
54 HA GLU 6 HA GLU 6 -9.434 11.455 5.707
55 1HB GLU 6 1HB GLU 6 -9.430 12.019 8.159
56 2HB GLU 6 2HB GLU 6 -10.671 12.870 7.240
57 1HG GLU 6 1HG GLU 6 -12.361 11.260 7.957
58 2HG GLU 6 2HG GLU 6 -11.134 10.315 8.804
59 QB GLU 6 QB GLU 6 -10.050 12.445 7.699
60 QG GLU 6 QG GLU 6 -11.748 10.788 8.380
61 H MET 7 H MET 7 -11.185 8.689 6.756
62 HA MET 7 HA MET 7 -8.666 7.480 7.824
63 1HB MET 7 1HB MET 7 -10.814 7.597 9.270
64 2HB MET 7 2HB MET 7 -11.434 6.337 8.203
65 1HG MET 7 1HG MET 7 -8.696 5.910 9.275
66 2HG MET 7 2HG MET 7 -10.014 5.797 10.442
67 1HE MET 7 1HE MET 7 -8.145 3.896 10.048
68 2HE MET 7 2HE MET 7 -9.233 2.533 10.344
69 3HE MET 7 3HE MET 7 -8.284 2.601 8.860
70 QB MET 7 QB MET 7 -11.124 6.967 8.737
71 QG MET 7 QG MET 7 -9.355 5.853 9.858
72 ME MET 7 ME MET 7 -8.554 3.010 9.751
73 H ALA 8 H ALA 8 -11.584 6.651 5.930
74 HA ALA 8 HA ALA 8 -10.707 4.179 4.912
75 1HB ALA 8 3HB ALA 8 -12.898 4.574 4.322
76 2HB ALA 8 1HB ALA 8 -12.607 6.279 3.977
77 3HB ALA 8 2HB ALA 8 -12.121 5.049 2.811
78 MB ALA 8 MB ALA 8 -12.542 5.301 3.703
79 H ASP 9 H ASP 9 -9.834 7.443 3.904
80 HA ASP 9 HA ASP 9 -8.710 6.915 1.378
81 1HB ASP 9 1HB ASP 9 -8.935 9.183 2.357
82 2HB ASP 9 2HB ASP 9 -7.636 8.807 3.489
83 QB ASP 9 QB ASP 9 -8.285 8.995 2.923
84 H THR 10 H THR 10 -7.002 6.874 4.534
85 HA THR 10 HA THR 10 -4.477 6.095 3.734
86 HB THR 10 HB THR 10 -5.388 6.388 6.128
87 HG1 THR 10 HG1 THR 10 -3.274 5.839 5.850
88 1HG2 THR 10 1HG2 THR 10 -6.987 4.303 5.548
89 2HG2 THR 10 2HG2 THR 10 -5.626 3.425 6.244
90 3HG2 THR 10 3HG2 THR 10 -6.456 4.660 7.190
91 MG THR 10 MG THR 10 -6.356 4.129 6.328
92 H PHE 11 H PHE 11 -7.389 4.117 3.747
93 HA PHE 11 HA PHE 11 -5.930 1.660 3.091
94 1HB PHE 11 1HB PHE 11 -8.037 1.553 4.362
95 2HB PHE 11 2HB PHE 11 -8.895 2.296 3.013
96 HD1 PHE 11 HD1 PHE 11 -6.427 -0.502 3.477
97 HD2 PHE 11 HD2 PHE 11 -10.108 0.815 1.694
98 HE1 PHE 11 HE1 PHE 11 -6.724 -2.734 2.441
99 HE2 PHE 11 HE2 PHE 11 -10.404 -1.419 0.659
100 HZ PHE 11 HZ PHE 11 -8.712 -3.194 1.031
101 QB PHE 11 QB PHE 11 -8.466 1.925 3.687
102 QD PHE 11 QD PHE 11 -8.267 0.156 2.586
103 QE PHE 11 QE PHE 11 -8.564 -2.077 1.550
104 QR PHE 11 QR PHE 11 -8.475 -1.407 1.860
105 H LEU 12 H LEU 12 -7.920 4.046 1.349
106 HA LEU 12 HA LEU 12 -7.776 2.651 -1.180
107 1HB LEU 12 1HB LEU 12 -8.845 5.196 -0.169
108 2HB LEU 12 2HB LEU 12 -8.221 5.301 -1.816
109 HG LEU 12 HG LEU 12 -10.143 3.151 -0.883
110 1HD1 LEU 12 1HD1 LEU 12 -11.112 5.475 -0.796
111 2HD1 LEU 12 2HD1 LEU 12 -10.751 5.633 -2.516
112 3HD1 LEU 12 3HD1 LEU 12 -11.903 4.416 -1.965
113 1HD2 LEU 12 1HD2 LEU 12 -8.830 3.910 -3.467
114 2HD2 LEU 12 2HD2 LEU 12 -9.147 2.307 -2.804
115 3HD2 LEU 12 3HD2 LEU 12 -10.461 3.242 -3.519
116 MD1 LEU 12 MD1 LEU 12 -11.255 5.175 -1.759
117 MD2 LEU 12 MD2 LEU 12 -9.480 3.153 -3.264
118 QB LEU 12 QB LEU 12 -8.533 5.248 -0.992
119 QD LEU 12 QD LEU 12 -10.367 4.164 -2.511
120 H ASP 13 H ASP 13 -5.404 4.160 0.601
121 HA ASP 13 HA ASP 13 -3.986 5.665 -1.375
122 1HB ASP 13 1HB ASP 13 -3.363 5.906 0.938
123 2HB ASP 13 2HB ASP 13 -3.039 4.178 1.089
124 QB ASP 13 QB ASP 13 -3.201 5.042 1.014
125 H ASN 14 H ASN 14 -3.942 2.212 -0.526
126 HA ASN 14 HA ASN 14 -1.860 1.667 -2.542
127 1HB ASN 14 1HB ASN 14 -2.545 0.423 -0.200
128 2HB ASN 14 2HB ASN 14 -3.349 -0.607 -1.385
129 2HD2 ASN 14 1HD2 ASN 14 -1.718 -2.314 -0.886
130 1HD2 ASN 14 2HD2 ASN 14 -0.155 -2.207 -1.541
131 QB ASN 14 QB ASN 14 -2.947 -0.092 -0.793
132 QD ASN 14 QD ASN 14 -0.937 -2.260 -1.213
133 H MET 15 H MET 15 -4.880 2.541 -2.951
134 HA MET 15 HA MET 15 -5.326 0.643 -5.212
135 1HB MET 15 1HB MET 15 -7.310 1.642 -3.162
136 2HB MET 15 2HB MET 15 -7.831 1.065 -4.745
137 1HG MET 15 1HG MET 15 -7.166 -1.122 -4.321
138 2HG MET 15 2HG MET 15 -5.959 -0.633 -3.133
139 1HE MET 15 1HE MET 15 -9.252 -1.310 -4.223
140 2HE MET 15 2HE MET 15 -10.120 -1.933 -2.820
141 3HE MET 15 3HE MET 15 -10.237 -0.220 -3.248
142 QB MET 15 QB MET 15 -7.571 1.354 -3.954
143 QG MET 15 QG MET 15 -6.562 -0.878 -3.727
144 ME MET 15 ME MET 15 -9.870 -1.154 -3.430
145 H ARG 16 H ARG 16 -4.159 2.467 -6.304
146 HA ARG 16 HA ARG 16 -5.765 4.934 -6.626
147 1HB ARG 16 1HB ARG 16 -2.930 4.156 -7.144
148 2HB ARG 16 2HB ARG 16 -3.628 5.419 -8.158
149 1HG ARG 16 1HG ARG 16 -3.700 5.434 -5.127
150 2HG ARG 16 2HG ARG 16 -2.519 6.315 -6.096
151 1HD ARG 16 1HD ARG 16 -5.523 6.707 -6.083
152 2HD ARG 16 2HD ARG 16 -4.296 7.854 -5.543
153 HE ARG 16 HE ARG 16 -3.710 7.287 -8.236
154 1HH1 ARG 16 1HH1 ARG 16 -4.719 9.871 -6.685
155 2HH1 ARG 16 2HH1 ARG 16 -5.969 10.365 -7.778
156 1HH2 ARG 16 1HH2 ARG 16 -6.000 7.368 -9.519
157 2HH2 ARG 16 2HH2 ARG 16 -6.693 8.949 -9.382
158 QB ARG 16 QB ARG 16 -3.279 4.788 -7.651
159 QG ARG 16 QG ARG 16 -3.110 5.874 -5.611
160 QD ARG 16 QD ARG 16 -4.909 7.280 -5.813
161 QH1 ARG 16 QH1 ARG 16 -5.344 10.118 -7.231
162 QH2 ARG 16 QH2 ARG 16 -6.347 8.159 -9.451
163 H VAL 17 H VAL 17 -7.329 3.297 -7.733
164 HA VAL 17 HA VAL 17 -8.472 3.026 -9.781
165 HB VAL 17 HB VAL 17 -6.652 4.944 -10.459
166 1HG1 VAL 17 1HG1 VAL 17 -5.175 2.871 -11.192
167 2HG1 VAL 17 2HG1 VAL 17 -6.212 2.911 -12.618
168 3HG1 VAL 17 3HG1 VAL 17 -5.239 4.320 -12.194
169 1HG2 VAL 17 1HG2 VAL 17 -8.635 3.412 -12.149
170 2HG2 VAL 17 2HG2 VAL 17 -8.875 4.949 -11.319
171 3HG2 VAL 17 3HG2 VAL 17 -7.822 4.865 -12.731
172 MG1 VAL 17 MG1 VAL 17 -5.542 3.367 -12.001
173 MG2 VAL 17 MG2 VAL 17 -8.444 4.409 -12.066
174 QG VAL 17 QG VAL 17 -6.993 3.888 -12.034
175 H GLY 18 H GLY 18 -6.479 1.114 -8.391
176 1HA GLY 18 1HA GLY 18 -5.333 -0.556 -10.418
177 2HA GLY 18 2HA GLY 18 -5.695 -1.065 -8.767
178 QA GLY 18 QA GLY 18 -5.514 -0.810 -9.592
179 1HB PRO 19 1HB PRO 19 -8.071 -5.745 -10.607
180 2HB PRO 19 2HB PRO 19 -7.221 -4.985 -11.963
181 1HG PRO 19 2HG PRO 19 -5.340 -5.253 -10.648
182 2HG PRO 19 1HG PRO 19 -6.288 -5.398 -9.159
183 1HD PRO 19 1HD PRO 19 -5.716 -3.214 -8.723
184 2HD PRO 19 2HD PRO 19 -5.069 -2.996 -10.364
185 QB PRO 19 QB PRO 19 -7.646 -5.365 -11.285
186 QG PRO 19 QG PRO 19 -5.814 -5.326 -9.904
187 QD PRO 19 QD PRO 19 -5.392 -3.105 -9.544
188 H ARG 20 H ARG 20 -10.648 -4.317 -10.867
189 HA ARG 20 HA ARG 20 -12.284 -5.036 -9.311
190 1HB ARG 20 1HB ARG 20 -10.027 -5.432 -7.842
191 2HB ARG 20 2HB ARG 20 -10.804 -4.155 -6.904
192 1HG ARG 20 1HG ARG 20 -12.602 -5.473 -6.336
193 2HG ARG 20 2HG ARG 20 -12.534 -6.394 -7.838
194 1HD ARG 20 1HD ARG 20 -10.112 -6.865 -6.383
195 2HD ARG 20 2HD ARG 20 -11.477 -7.119 -5.294
196 HE ARG 20 HE ARG 20 -10.731 -8.876 -7.419
197 1HH1 ARG 20 1HH1 ARG 20 -13.419 -7.402 -5.833
198 2HH1 ARG 20 2HH1 ARG 20 -14.551 -8.607 -6.349
199 1HH2 ARG 20 1HH2 ARG 20 -12.213 -10.411 -8.165
200 2HH2 ARG 20 2HH2 ARG 20 -13.870 -10.307 -7.670
201 QB ARG 20 QB ARG 20 -10.415 -4.793 -7.373
202 QG ARG 20 QG ARG 20 -12.568 -5.933 -7.087
203 QD ARG 20 QD ARG 20 -10.795 -6.992 -5.838
204 QH1 ARG 20 QH1 ARG 20 -13.985 -8.004 -6.091
205 QH2 ARG 20 QH2 ARG 20 -13.041 -10.359 -7.918
206 H THR 21 H THR 21 -10.516 -2.193 -8.011
207 HA THR 21 HA THR 21 -11.307 -0.073 -7.411
208 HB THR 21 HB THR 21 -12.760 0.978 -8.946
209 HG1 THR 21 HG1 THR 21 -14.269 -0.181 -10.140
210 1HG2 THR 21 1HG2 THR 21 -11.409 -1.359 -10.318
211 2HG2 THR 21 2HG2 THR 21 -12.095 0.021 -11.174
212 3HG2 THR 21 3HG2 THR 21 -10.744 0.255 -10.066
213 MG THR 21 MG THR 21 -11.416 -0.361 -10.519
214 H TYR 22 H TYR 22 -14.164 0.714 -7.480
215 HA TYR 22 HA TYR 22 -15.235 -1.066 -5.330
216 1HB TYR 22 1HB TYR 22 -14.686 1.866 -5.270
217 2HB TYR 22 2HB TYR 22 -16.163 1.306 -4.488
218 HD1 TYR 22 HD1 TYR 22 -15.769 -0.987 -3.067
219 HD2 TYR 22 HD2 TYR 22 -12.802 1.998 -3.919
220 HE1 TYR 22 HE1 TYR 22 -14.451 -1.739 -1.107
221 HE2 TYR 22 HE2 TYR 22 -11.484 1.248 -1.957
222 HH TYR 22 HH TYR 22 -12.351 -0.127 0.420
223 QB TYR 22 QB TYR 22 -15.425 1.586 -4.879
224 QD TYR 22 QD TYR 22 -14.286 0.506 -3.493
225 QE TYR 22 QE TYR 22 -12.967 -0.246 -1.532
226 QR TYR 22 QR TYR 22 -13.626 0.130 -2.513
227 H ALA 23 H ALA 23 -16.242 1.872 -7.097
228 HA ALA 23 HA ALA 23 -18.858 1.919 -7.229
229 1HB ALA 23 3HB ALA 23 -18.572 3.092 -9.117
230 2HB ALA 23 2HB ALA 23 -18.114 1.636 -10.000
231 3HB ALA 23 1HB ALA 23 -16.893 2.553 -9.116
232 MB ALA 23 MB ALA 23 -17.860 2.427 -9.411
233 H ASP 24 H ASP 24 -17.183 -0.577 -9.042
234 HA ASP 24 HA ASP 24 -19.541 -1.893 -9.984
235 1HB ASP 24 1HB ASP 24 -16.890 -2.179 -10.504
236 2HB ASP 24 2HB ASP 24 -17.166 -3.591 -9.485
237 QB ASP 24 QB ASP 24 -17.028 -2.885 -9.995
238 H VAL 25 H VAL 25 -17.301 -3.416 -7.658
239 HA VAL 25 HA VAL 25 -19.045 -5.287 -6.608
240 HB VAL 25 HB VAL 25 -17.108 -3.699 -4.905
241 1HG1 VAL 25 1HG1 VAL 25 -18.312 -6.468 -4.775
242 2HG1 VAL 25 2HG1 VAL 25 -16.849 -6.045 -3.888
243 3HG1 VAL 25 3HG1 VAL 25 -18.360 -5.201 -3.550
244 1HG2 VAL 25 1HG2 VAL 25 -16.690 -5.597 -7.154
245 2HG2 VAL 25 2HG2 VAL 25 -15.631 -4.325 -6.545
246 3HG2 VAL 25 3HG2 VAL 25 -15.710 -5.880 -5.716
247 MG1 VAL 25 MG1 VAL 25 -17.840 -5.905 -4.071
248 MG2 VAL 25 MG2 VAL 25 -16.010 -5.267 -6.472
249 QG VAL 25 QG VAL 25 -16.925 -5.586 -5.271
250 H ARG 26 H ARG 26 -18.621 -1.974 -5.326
251 HA ARG 26 HA ARG 26 -20.488 -2.038 -3.258
252 1HB ARG 26 1HB ARG 26 -19.128 -0.026 -4.765
253 2HB ARG 26 2HB ARG 26 -20.819 0.452 -4.615
254 1HG ARG 26 1HG ARG 26 -20.396 -0.380 -2.091
255 2HG ARG 26 2HG ARG 26 -18.751 0.108 -2.500
256 1HD ARG 26 1HD ARG 26 -19.490 2.172 -1.858
257 2HD ARG 26 2HD ARG 26 -20.136 2.219 -3.498
258 HE ARG 26 HE ARG 26 -22.251 2.299 -2.480
259 1HH1 ARG 26 1HH1 ARG 26 -22.548 -0.463 -1.759
260 2HH1 ARG 26 2HH1 ARG 26 -22.598 -0.459 -0.028
261 1HH2 ARG 26 1HH2 ARG 26 -21.242 2.719 0.272
262 2HH2 ARG 26 2HH2 ARG 26 -21.860 1.342 1.123
263 QB ARG 26 QB ARG 26 -19.974 0.213 -4.690
264 QG ARG 26 QG ARG 26 -19.573 -0.136 -2.296
265 QD ARG 26 QD ARG 26 -19.813 2.195 -2.678
266 QH1 ARG 26 QH1 ARG 26 -22.573 -0.461 -0.893
267 QH2 ARG 26 QH2 ARG 26 -21.551 2.030 0.697
268 H ASP 27 H ASP 27 -21.146 -1.310 -6.701
269 HA ASP 27 HA ASP 27 -23.942 -0.870 -6.397
270 1HB ASP 27 1HB ASP 27 -22.203 -0.717 -8.485
271 2HB ASP 27 2HB ASP 27 -23.081 -2.189 -8.901
272 QB ASP 27 QB ASP 27 -22.642 -1.453 -8.693
273 H GLU 28 H GLU 28 -22.113 -3.886 -6.691
274 HA GLU 28 HA GLU 28 -24.370 -5.544 -7.278
275 1HB GLU 28 2HB GLU 28 -21.702 -6.019 -7.120
276 2HB GLU 28 1HB GLU 28 -22.905 -7.303 -7.092
277 1HG GLU 28 1HG GLU 28 -21.564 -6.018 -4.695
278 2HG GLU 28 2HG GLU 28 -22.900 -7.160 -4.579
279 QB GLU 28 QB GLU 28 -22.304 -6.661 -7.106
280 QG GLU 28 QG GLU 28 -22.232 -6.589 -4.637
281 H ILE 29 H ILE 29 -23.132 -4.185 -4.272
282 HA ILE 29 HA ILE 29 -24.922 -5.791 -2.623
283 HB ILE 29 HB ILE 29 -23.731 -3.169 -1.752
284 1HG1 ILE 29 1HG1 ILE 29 -22.323 -5.830 -2.121
285 2HG1 ILE 29 2HG1 ILE 29 -21.888 -4.281 -2.845
286 1HG2 ILE 29 1HG2 ILE 29 -25.299 -4.622 -0.328
287 2HG2 ILE 29 2HG2 ILE 29 -23.979 -5.790 -0.267
288 3HG2 ILE 29 3HG2 ILE 29 -23.759 -4.175 0.405
289 1HD1 ILE 29 1HD1 ILE 29 -21.944 -4.748 0.145
290 2HD1 ILE 29 2HD1 ILE 29 -20.491 -4.945 -0.834
291 3HD1 ILE 29 3HD1 ILE 29 -21.265 -3.364 -0.712
292 MG ILE 29 MG ILE 29 -24.346 -4.862 -0.063
293 MD ILE 29 MD ILE 29 -21.233 -4.352 -0.467
294 QG ILE 29 QG ILE 29 -22.106 -5.055 -2.483
295 H ASN 30 H ASN 30 -25.974 -3.997 -4.860
296 HA ASN 30 HA ASN 30 -27.882 -2.376 -3.276
297 1HB ASN 30 1HB ASN 30 -27.002 -2.266 -6.168
298 2HB ASN 30 2HB ASN 30 -28.417 -1.393 -5.580
299 2HD2 ASN 30 1HD2 ASN 30 -27.651 0.760 -5.580
300 1HD2 ASN 30 2HD2 ASN 30 -26.282 1.276 -4.720
301 QB ASN 30 QB ASN 30 -27.710 -1.829 -5.874
302 QD ASN 30 QD ASN 30 -26.966 1.018 -5.150
303 H LYS 31 H LYS 31 -27.964 -4.242 -6.342
304 HA LYS 31 HA LYS 31 -30.416 -5.582 -5.298
305 1HB LYS 31 1HB LYS 31 -30.406 -3.637 -7.327
306 2HB LYS 31 2HB LYS 31 -30.549 -5.180 -8.168
307 1HG LYS 31 1HG LYS 31 -32.410 -5.803 -6.618
308 2HG LYS 31 2HG LYS 31 -32.313 -4.191 -5.909
309 1HD LYS 31 1HD LYS 31 -33.323 -3.202 -7.695
310 2HD LYS 31 2HD LYS 31 -32.505 -4.243 -8.860
311 1HE LYS 31 1HE LYS 31 -34.774 -5.173 -7.080
312 2HE LYS 31 2HE LYS 31 -34.996 -4.608 -8.735
313 1HZ LYS 31 1HZ LYS 31 -32.913 -6.563 -8.479
314 2HZ LYS 31 2HZ LYS 31 -34.432 -7.156 -7.999
315 3HZ LYS 31 3HZ LYS 31 -34.227 -6.513 -9.555
316 QB LYS 31 QB LYS 31 -30.478 -4.408 -7.747
317 QD LYS 31 QD LYS 31 -32.914 -3.722 -8.278
318 QG LYS 31 QG LYS 31 -32.362 -4.997 -6.263
319 QE LYS 31 QE LYS 31 -34.885 -4.890 -7.907
320 QZ LYS 31 QZ LYS 31 -33.857 -6.744 -8.678
321 H ARG 32 H ARG 32 -27.599 -6.515 -5.527
322 HA ARG 32 HA ARG 32 -27.253 -8.180 -7.807
323 1HB ARG 32 1HB ARG 32 -25.386 -7.765 -6.332
324 2HB ARG 32 2HB ARG 32 -26.245 -8.494 -4.975
325 1HG ARG 32 1HG ARG 32 -26.269 -10.665 -6.174
326 2HG ARG 32 2HG ARG 32 -25.377 -9.926 -7.504
327 1HD ARG 32 1HD ARG 32 -23.550 -9.350 -5.896
328 2HD ARG 32 2HD ARG 32 -24.424 -10.231 -4.642
329 HE ARG 32 HE ARG 32 -23.676 -12.240 -5.623
330 1HH1 ARG 32 1HH1 ARG 32 -22.042 -9.804 -7.117
331 2HH1 ARG 32 2HH1 ARG 32 -21.825 -10.600 -8.639
332 1HH2 ARG 32 1HH2 ARG 32 -24.001 -13.195 -7.892
333 2HH2 ARG 32 2HH2 ARG 32 -22.933 -12.522 -9.077
334 QB ARG 32 QB ARG 32 -25.815 -8.129 -5.654
335 QG ARG 32 QG ARG 32 -25.823 -10.295 -6.839
336 QD ARG 32 QD ARG 32 -23.987 -9.791 -5.269
337 QH1 ARG 32 QH1 ARG 32 -21.933 -10.202 -7.878
338 QH2 ARG 32 QH2 ARG 32 -23.467 -12.858 -8.484
339 H GLY 33 H GLY 33 -27.533 -9.831 -4.783
340 1HA GLY 33 1HA GLY 33 -29.710 -11.028 -4.224
341 2HA GLY 33 2HA GLY 33 -29.767 -11.449 -5.937
342 QA GLY 33 QA GLY 33 -29.738 -11.238 -5.080
343 H ARG 34 H ARG 34 -28.745 -13.307 -6.574
344 HA ARG 34 HA ARG 34 -27.519 -14.983 -4.514
345 1HB ARG 34 1HB ARG 34 -27.162 -16.530 -6.549
346 2HB ARG 34 2HB ARG 34 -28.827 -16.178 -6.088
347 1HG ARG 34 1HG ARG 34 -29.187 -14.791 -7.909
348 2HG ARG 34 2HG ARG 34 -27.481 -14.364 -8.052
349 1HD ARG 34 1HD ARG 34 -27.359 -17.040 -8.530
350 2HD ARG 34 2HD ARG 34 -28.952 -16.668 -9.191
351 HE ARG 34 HE ARG 34 -26.735 -14.906 -10.040
352 1HH1 ARG 34 1HH1 ARG 34 -28.477 -14.483 -11.986
353 2HH1 ARG 34 2HH1 ARG 34 -28.407 -15.797 -13.112
354 1HH2 ARG 34 1HH2 ARG 34 -26.792 -17.942 -10.919
355 2HH2 ARG 34 2HH2 ARG 34 -27.456 -17.755 -12.509
356 QB ARG 34 QB ARG 34 -27.994 -16.354 -6.319
357 QG ARG 34 QG ARG 34 -28.334 -14.577 -7.981
358 QD ARG 34 QD ARG 34 -28.156 -16.854 -8.860
359 QH1 ARG 34 QH1 ARG 34 -28.442 -15.140 -12.549
360 QH2 ARG 34 QH2 ARG 34 -27.124 -17.848 -11.714
No H/Q in entry = 360
Start of MODEL 8
1 H1 MET 1 H1 MET 1 -23.824 7.373 5.190
2 H2 MET 1 H2 MET 1 -24.166 8.101 6.687
3 H3 MET 1 H3 MET 1 -25.088 8.496 5.316
4 HA MET 1 HA MET 1 -23.626 9.994 4.588
5 1HB MET 1 1HB MET 1 -22.905 9.501 7.461
6 2HB MET 1 2HB MET 1 -21.940 10.637 6.517
7 1HG MET 1 1HG MET 1 -23.704 12.119 6.238
8 2HG MET 1 2HG MET 1 -24.926 10.858 6.400
9 1HE MET 1 1HE MET 1 -21.918 12.304 8.036
10 2HE MET 1 2HE MET 1 -22.290 12.515 9.745
11 3HE MET 1 3HE MET 1 -21.945 10.904 9.105
12 QB MET 1 QB MET 1 -22.422 10.069 6.989
13 QG MET 1 QG MET 1 -24.315 11.489 6.319
14 ME MET 1 ME MET 1 -22.051 11.908 8.962
15 H SER 2 H SER 2 -22.221 9.469 2.979
16 HA SER 2 HA SER 2 -20.422 7.324 2.916
17 1HB SER 2 1HB SER 2 -19.786 9.967 1.607
18 2HB SER 2 2HB SER 2 -19.437 8.344 1.019
19 HG SER 2 HG SER 2 -21.617 8.039 0.656
20 QB SER 2 QB SER 2 -19.611 9.155 1.313
21 H TRP 3 H TRP 3 -19.319 7.145 4.927
22 HA TRP 3 HA TRP 3 -17.436 9.360 5.600
23 1HB TRP 3 1HB TRP 3 -19.052 7.613 7.161
24 2HB TRP 3 2HB TRP 3 -17.367 7.214 7.502
25 HD1 TRP 3 HD1 TRP 3 -18.885 10.671 6.690
26 HE1 TRP 3 HE1 TRP 3 -18.297 12.280 8.617
27 HE3 TRP 3 HE3 TRP 3 -16.541 7.428 9.866
28 HZ2 TRP 3 HZ2 TRP 3 -17.007 12.201 11.167
29 HZ3 TRP 3 HZ3 TRP 3 -15.645 8.220 12.035
30 HH2 TRP 3 HH2 TRP 3 -15.873 10.602 12.690
31 QB TRP 3 QB TRP 3 -18.209 7.414 7.331
32 H ALA 4 H ALA 4 -16.517 8.119 3.371
33 HA ALA 4 HA ALA 4 -14.756 5.883 4.186
34 1HB ALA 4 3HB ALA 4 -15.683 5.459 2.073
35 2HB ALA 4 1HB ALA 4 -15.523 7.139 1.560
36 3HB ALA 4 2HB ALA 4 -14.094 6.111 1.668
37 MB ALA 4 MB ALA 4 -15.100 6.236 1.767
38 H LEU 5 H LEU 5 -14.312 8.632 5.233
39 HA LEU 5 HA LEU 5 -11.975 9.657 3.800
40 1HB LEU 5 1HB LEU 5 -13.563 10.443 6.188
41 2HB LEU 5 2HB LEU 5 -11.870 10.934 6.178
42 HG LEU 5 HG LEU 5 -13.345 12.648 5.141
43 1HD1 LEU 5 1HD1 LEU 5 -10.907 11.885 4.325
44 2HD1 LEU 5 2HD1 LEU 5 -11.802 11.529 2.847
45 3HD1 LEU 5 3HD1 LEU 5 -11.806 13.164 3.508
46 1HD2 LEU 5 1HD2 LEU 5 -14.825 10.657 4.184
47 2HD2 LEU 5 2HD2 LEU 5 -14.725 12.197 3.330
48 3HD2 LEU 5 3HD2 LEU 5 -13.750 10.828 2.796
49 MD1 LEU 5 MD1 LEU 5 -11.505 12.192 3.560
50 MD2 LEU 5 MD2 LEU 5 -14.433 11.227 3.437
51 QB LEU 5 QB LEU 5 -12.716 10.688 6.183
52 QD LEU 5 QD LEU 5 -12.969 11.710 3.498
53 H GLU 6 H GLU 6 -12.547 7.982 6.906
54 HA GLU 6 HA GLU 6 -9.765 7.828 7.615
55 1HB GLU 6 1HB GLU 6 -11.746 7.462 9.169
56 2HB GLU 6 2HB GLU 6 -11.923 5.868 8.433
57 1HG GLU 6 1HG GLU 6 -9.288 5.789 8.978
58 2HG GLU 6 2HG GLU 6 -9.804 6.886 10.259
59 QB GLU 6 QB GLU 6 -11.834 6.665 8.801
60 QG GLU 6 QG GLU 6 -9.546 6.337 9.619
61 H MET 7 H MET 7 -11.896 5.765 5.694
62 HA MET 7 HA MET 7 -9.919 3.631 5.468
63 1HB MET 7 1HB MET 7 -12.519 3.492 5.242
64 2HB MET 7 2HB MET 7 -12.225 3.986 3.574
65 1HG MET 7 1HG MET 7 -12.220 1.583 3.590
66 2HG MET 7 2HG MET 7 -10.539 2.094 3.425
67 1HE MET 7 1HE MET 7 -13.212 0.510 5.061
68 2HE MET 7 2HE MET 7 -12.584 -0.378 6.458
69 3HE MET 7 3HE MET 7 -13.129 1.288 6.640
70 QB MET 7 QB MET 7 -12.372 3.739 4.408
71 QG MET 7 QG MET 7 -11.379 1.839 3.508
72 ME MET 7 ME MET 7 -12.975 0.473 6.053
73 H ALA 8 H ALA 8 -10.933 6.396 3.567
74 HA ALA 8 HA ALA 8 -9.343 5.737 1.216
75 1HB ALA 8 1HB ALA 8 -11.446 7.071 1.138
76 2HB ALA 8 3HB ALA 8 -10.080 7.863 0.353
77 3HB ALA 8 2HB ALA 8 -10.593 8.378 1.961
78 MB ALA 8 MB ALA 8 -10.706 7.771 1.151
79 H ASP 9 H ASP 9 -8.555 7.532 4.109
80 HA ASP 9 HA ASP 9 -6.889 9.441 3.525
81 1HB ASP 9 1HB ASP 9 -7.169 7.791 5.686
82 2HB ASP 9 2HB ASP 9 -5.489 7.509 5.231
83 QB ASP 9 QB ASP 9 -6.329 7.650 5.459
84 H THR 10 H THR 10 -4.268 8.507 4.232
85 HA THR 10 HA THR 10 -2.689 8.772 2.100
86 HB THR 10 HB THR 10 -1.591 8.341 4.148
87 HG1 THR 10 HG1 THR 10 -0.348 6.369 3.606
88 1HG2 THR 10 1HG2 THR 10 -3.398 6.968 5.137
89 2HG2 THR 10 2HG2 THR 10 -2.904 5.608 4.130
90 3HG2 THR 10 3HG2 THR 10 -1.816 6.224 5.375
91 MG THR 10 MG THR 10 -2.706 6.267 4.880
92 H PHE 11 H PHE 11 -4.177 7.952 0.389
93 HA PHE 11 HA PHE 11 -4.912 6.353 -1.158
94 1HB PHE 11 1HB PHE 11 -2.458 4.778 -0.521
95 2HB PHE 11 2HB PHE 11 -3.281 4.983 -2.066
96 HD1 PHE 11 HD1 PHE 11 -3.625 7.810 -2.387
97 HD2 PHE 11 HD2 PHE 11 -0.296 5.699 -0.682
98 HE1 PHE 11 HE1 PHE 11 -2.135 9.711 -2.946
99 HE2 PHE 11 HE2 PHE 11 1.195 7.601 -1.242
100 HZ PHE 11 HZ PHE 11 0.275 9.607 -2.375
101 QB PHE 11 QB PHE 11 -2.870 4.881 -1.294
102 QD PHE 11 QD PHE 11 -1.960 6.755 -1.535
103 QE PHE 11 QE PHE 11 -0.470 8.656 -2.094
104 QR PHE 11 QR PHE 11 -0.917 8.086 -1.926
105 H LEU 12 H LEU 12 -5.284 6.006 1.822
106 HA LEU 12 HA LEU 12 -5.236 3.232 2.405
107 1HB LEU 12 1HB LEU 12 -5.581 5.493 3.866
108 2HB LEU 12 2HB LEU 12 -7.266 5.052 3.654
109 HG LEU 12 HG LEU 12 -5.367 2.882 4.444
110 1HD1 LEU 12 1HD1 LEU 12 -4.958 5.060 5.832
111 2HD1 LEU 12 2HD1 LEU 12 -6.521 4.684 6.559
112 3HD1 LEU 12 3HD1 LEU 12 -5.190 3.535 6.688
113 1HD2 LEU 12 1HD2 LEU 12 -7.851 2.589 4.027
114 2HD2 LEU 12 2HD2 LEU 12 -7.299 2.047 5.612
115 3HD2 LEU 12 3HD2 LEU 12 -8.127 3.592 5.451
116 MD1 LEU 12 MD1 LEU 12 -5.556 4.426 6.360
117 MD2 LEU 12 MD2 LEU 12 -7.759 2.743 5.030
118 QB LEU 12 QB LEU 12 -6.423 5.272 3.760
119 QD LEU 12 QD LEU 12 -6.658 3.585 5.695
120 H ASP 13 H ASP 13 -7.152 5.423 0.539
121 HA ASP 13 HA ASP 13 -9.678 4.195 0.409
122 1HB ASP 13 1HB ASP 13 -8.133 5.961 -1.240
123 2HB ASP 13 2HB ASP 13 -8.942 4.780 -2.270
124 QB ASP 13 QB ASP 13 -8.537 5.370 -1.755
125 H ASN 14 H ASN 14 -7.056 3.362 -1.925
126 HA ASN 14 HA ASN 14 -8.464 0.779 -2.366
127 1HB ASN 14 1HB ASN 14 -7.530 2.447 -4.211
128 2HB ASN 14 2HB ASN 14 -6.029 1.567 -3.915
129 2HD2 ASN 14 1HD2 ASN 14 -8.226 1.530 -6.186
130 1HD2 ASN 14 2HD2 ASN 14 -8.482 -0.132 -6.420
131 QB ASN 14 QB ASN 14 -6.780 2.007 -4.063
132 QD ASN 14 QD ASN 14 -8.354 0.699 -6.303
133 H MET 15 H MET 15 -5.629 2.064 -0.892
134 HA MET 15 HA MET 15 -3.700 1.037 -0.008
135 1HB MET 15 1HB MET 15 -4.325 -0.948 1.449
136 2HB MET 15 2HB MET 15 -5.247 0.524 1.752
137 1HG MET 15 1HG MET 15 -7.105 -0.315 0.411
138 2HG MET 15 2HG MET 15 -6.175 -1.750 -0.024
139 1HE MET 15 1HE MET 15 -5.235 -3.453 1.708
140 2HE MET 15 2HE MET 15 -6.550 -4.173 2.646
141 3HE MET 15 3HE MET 15 -6.769 -3.834 0.932
142 QB MET 15 QB MET 15 -4.786 -0.212 1.601
143 QG MET 15 QG MET 15 -6.640 -1.032 0.194
144 ME MET 15 ME MET 15 -6.185 -3.820 1.762
145 H ARG 16 H ARG 16 -2.860 0.547 -2.194
146 HA ARG 16 HA ARG 16 -3.287 -2.172 -3.226
147 1HB ARG 16 2HB ARG 16 -2.972 -0.212 -4.747
148 2HB ARG 16 1HB ARG 16 -1.794 -1.493 -5.033
149 1HG ARG 16 1HG ARG 16 -1.407 1.216 -3.832
150 2HG ARG 16 2HG ARG 16 -0.404 -0.099 -3.223
151 1HD ARG 16 1HD ARG 16 0.704 -0.368 -5.222
152 2HD ARG 16 2HD ARG 16 -0.683 0.146 -6.182
153 HE ARG 16 HE ARG 16 -0.129 2.496 -5.470
154 1HH1 ARG 16 1HH1 ARG 16 1.983 0.984 -3.574
155 2HH1 ARG 16 2HH1 ARG 16 3.437 1.596 -4.288
156 1HH2 ARG 16 1HH2 ARG 16 1.839 2.859 -7.095
157 2HH2 ARG 16 2HH2 ARG 16 3.356 2.658 -6.284
158 QB ARG 16 QB ARG 16 -2.383 -0.853 -4.890
159 QG ARG 16 QG ARG 16 -0.906 0.559 -3.528
160 QD ARG 16 QD ARG 16 0.011 -0.111 -5.702
161 QH1 ARG 16 QH1 ARG 16 2.710 1.290 -3.931
162 QH2 ARG 16 QH2 ARG 16 2.598 2.759 -6.689
163 H VAL 17 H VAL 17 -2.239 -2.260 -0.627
164 HA VAL 17 HA VAL 17 -0.562 -3.473 0.500
165 HB VAL 17 HB VAL 17 0.998 -3.730 -2.056
166 1HG1 VAL 17 1HG1 VAL 17 0.690 -5.142 0.538
167 2HG1 VAL 17 2HG1 VAL 17 0.918 -6.169 -0.877
168 3HG1 VAL 17 3HG1 VAL 17 2.120 -4.944 -0.473
169 1HG2 VAL 17 1HG2 VAL 17 -1.764 -4.629 -1.566
170 2HG2 VAL 17 2HG2 VAL 17 -0.876 -4.503 -3.085
171 3HG2 VAL 17 3HG2 VAL 17 -0.671 -5.923 -2.058
172 MG1 VAL 17 MG1 VAL 17 1.243 -5.419 -0.271
173 MG2 VAL 17 MG2 VAL 17 -1.104 -5.019 -2.236
174 QG VAL 17 QG VAL 17 0.069 -5.219 -1.254
175 H GLY 18 H GLY 18 -0.496 -0.529 -0.124
176 1HA GLY 18 1HA GLY 18 2.370 -0.135 0.576
177 2HA GLY 18 2HA GLY 18 1.685 0.818 -0.741
178 QA GLY 18 QA GLY 18 2.027 0.342 -0.082
179 1HB PRO 19 1HB PRO 19 -0.309 0.965 5.468
180 2HB PRO 19 2HB PRO 19 -1.552 0.523 4.284
181 1HG PRO 19 2HG PRO 19 -0.463 -1.513 4.220
182 2HG PRO 19 1HG PRO 19 1.032 -0.836 4.887
183 1HD PRO 19 1HD PRO 19 1.865 -0.846 2.746
184 2HD PRO 19 2HD PRO 19 0.266 -1.223 2.068
185 QB PRO 19 QB PRO 19 -0.931 0.744 4.876
186 QG PRO 19 QG PRO 19 0.284 -1.174 4.554
187 QD PRO 19 QD PRO 19 1.066 -1.034 2.407
188 H ARG 20 H ARG 20 1.416 3.631 2.519
189 HA ARG 20 HA ARG 20 3.138 5.023 3.300
190 1HB ARG 20 1HB ARG 20 1.305 5.210 5.185
191 2HB ARG 20 2HB ARG 20 2.454 4.256 6.123
192 1HG ARG 20 1HG ARG 20 2.784 6.709 6.432
193 2HG ARG 20 2HG ARG 20 4.203 5.921 5.743
194 1HD ARG 20 1HD ARG 20 3.901 6.885 3.664
195 2HD ARG 20 2HD ARG 20 2.153 7.006 3.857
196 HE ARG 20 HE ARG 20 2.898 8.820 5.670
197 1HH1 ARG 20 1HH1 ARG 20 5.304 8.150 3.482
198 2HH1 ARG 20 2HH1 ARG 20 5.398 9.742 2.805
199 1HH2 ARG 20 1HH2 ARG 20 2.545 10.879 4.414
200 2HH2 ARG 20 2HH2 ARG 20 3.835 11.286 3.331
201 QB ARG 20 QB ARG 20 1.880 4.733 5.654
202 QG ARG 20 QG ARG 20 3.494 6.315 6.088
203 QD ARG 20 QD ARG 20 3.027 6.946 3.760
204 QH1 ARG 20 QH1 ARG 20 5.351 8.946 3.143
205 QH2 ARG 20 QH2 ARG 20 3.190 11.082 3.873
206 H THR 21 H THR 21 3.365 1.945 3.107
207 HA THR 21 HA THR 21 6.119 1.832 4.112
208 HB THR 21 HB THR 21 5.632 -0.335 5.362
209 HG1 THR 21 HG1 THR 21 3.531 -0.719 5.915
210 1HG2 THR 21 1HG2 THR 21 5.924 2.040 6.360
211 2HG2 THR 21 2HG2 THR 21 4.177 1.993 6.599
212 3HG2 THR 21 3HG2 THR 21 5.206 0.795 7.383
213 MG THR 21 MG THR 21 5.102 1.609 6.781
214 H TYR 22 H TYR 22 6.561 1.545 1.863
215 HA TYR 22 HA TYR 22 7.054 -0.951 0.841
216 1HB TYR 22 1HB TYR 22 4.180 -0.454 0.836
217 2HB TYR 22 2HB TYR 22 4.787 -0.791 -0.782
218 HD1 TYR 22 HD1 TYR 22 6.355 -2.075 2.319
219 HD2 TYR 22 HD2 TYR 22 3.814 -2.991 -1.023
220 HE1 TYR 22 HE1 TYR 22 6.497 -4.487 2.872
221 HE2 TYR 22 HE2 TYR 22 3.955 -5.404 -0.468
222 HH TYR 22 HH TYR 22 6.059 -6.572 2.139
223 QB TYR 22 QB TYR 22 4.484 -0.622 0.027
224 QD TYR 22 QD TYR 22 5.085 -2.533 0.648
225 QE TYR 22 QE TYR 22 5.226 -4.946 1.202
226 QR TYR 22 QR TYR 22 5.155 -3.739 0.925
227 H ALA 23 H ALA 23 5.599 2.171 -0.150
228 HA ALA 23 HA ALA 23 6.345 2.145 -2.845
229 1HB ALA 23 2HB ALA 23 6.745 4.628 -1.210
230 2HB ALA 23 3HB ALA 23 6.092 4.474 -2.841
231 3HB ALA 23 1HB ALA 23 5.122 3.982 -1.452
232 MB ALA 23 MB ALA 23 5.986 4.361 -1.834
233 H ASP 24 H ASP 24 8.307 2.841 -0.059
234 HA ASP 24 HA ASP 24 10.677 3.565 -1.566
235 1HB ASP 24 1HB ASP 24 9.929 3.247 1.271
236 2HB ASP 24 2HB ASP 24 11.613 2.866 0.910
237 QB ASP 24 QB ASP 24 10.771 3.057 1.091
238 H VAL 25 H VAL 25 10.239 0.813 0.690
239 HA VAL 25 HA VAL 25 12.395 -0.741 0.007
240 HB VAL 25 HB VAL 25 9.571 -1.780 0.389
241 1HG1 VAL 25 1HG1 VAL 25 12.177 -3.071 0.004
242 2HG1 VAL 25 2HG1 VAL 25 11.366 -3.581 1.486
243 3HG1 VAL 25 3HG1 VAL 25 10.558 -3.765 -0.071
244 1HG2 VAL 25 1HG2 VAL 25 11.526 -0.519 2.164
245 2HG2 VAL 25 2HG2 VAL 25 9.822 -0.877 2.450
246 3HG2 VAL 25 3HG2 VAL 25 11.043 -2.120 2.728
247 MG1 VAL 25 MG1 VAL 25 11.367 -3.472 0.473
248 MG2 VAL 25 MG2 VAL 25 10.797 -1.172 2.447
249 QG VAL 25 QG VAL 25 11.082 -2.322 1.460
250 H ARG 26 H ARG 26 9.415 -0.448 -1.874
251 HA ARG 26 HA ARG 26 10.247 -2.406 -3.887
252 1HB ARG 26 2HB ARG 26 8.264 -1.714 -5.070
253 2HB ARG 26 1HB ARG 26 8.184 -0.190 -4.189
254 1HG ARG 26 1HG ARG 26 8.178 -2.049 -2.153
255 2HG ARG 26 2HG ARG 26 6.735 -1.289 -2.826
256 1HD ARG 26 1HD ARG 26 7.154 -3.283 -4.639
257 2HD ARG 26 2HD ARG 26 7.744 -4.049 -3.165
258 HE ARG 26 HE ARG 26 5.527 -3.899 -2.241
259 1HH1 ARG 26 1HH1 ARG 26 5.085 -1.208 -3.803
260 2HH1 ARG 26 2HH1 ARG 26 3.733 -1.668 -4.784
261 1HH2 ARG 26 1HH2 ARG 26 4.112 -5.062 -4.187
262 2HH2 ARG 26 2HH2 ARG 26 3.183 -3.848 -5.001
263 QB ARG 26 QB ARG 26 8.224 -0.952 -4.630
264 QG ARG 26 QG ARG 26 7.457 -1.669 -2.489
265 QD ARG 26 QD ARG 26 7.449 -3.666 -3.902
266 QH1 ARG 26 QH1 ARG 26 4.409 -1.438 -4.293
267 QH2 ARG 26 QH2 ARG 26 3.647 -4.455 -4.594
268 H ASP 27 H ASP 27 10.084 1.239 -3.995
269 HA ASP 27 HA ASP 27 11.216 1.709 -6.513
270 1HB ASP 27 1HB ASP 27 11.558 3.030 -3.843
271 2HB ASP 27 2HB ASP 27 12.765 3.418 -5.070
272 QB ASP 27 QB ASP 27 12.162 3.224 -4.456
273 H GLU 28 H GLU 28 12.776 0.158 -3.782
274 HA GLU 28 HA GLU 28 15.352 0.128 -4.946
275 1HB GLU 28 1HB GLU 28 14.008 -1.437 -2.783
276 2HB GLU 28 2HB GLU 28 15.462 -2.114 -3.510
277 1HG GLU 28 1HG GLU 28 15.914 0.668 -2.992
278 2HG GLU 28 2HG GLU 28 15.288 -0.081 -1.522
279 QB GLU 28 QB GLU 28 14.735 -1.776 -3.146
280 QG GLU 28 QG GLU 28 15.601 0.294 -2.257
281 H ILE 29 H ILE 29 14.985 -0.284 -7.016
282 HA ILE 29 HA ILE 29 15.000 -1.843 -8.889
283 HB ILE 29 HB ILE 29 13.068 -3.477 -7.153
284 1HG1 ILE 29 1HG1 ILE 29 16.076 -3.609 -7.565
285 2HG1 ILE 29 2HG1 ILE 29 15.164 -3.754 -6.065
286 1HG2 ILE 29 1HG2 ILE 29 14.524 -4.021 -9.788
287 2HG2 ILE 29 2HG2 ILE 29 13.551 -5.206 -8.919
288 3HG2 ILE 29 3HG2 ILE 29 12.792 -3.763 -9.589
289 1HD1 ILE 29 1HD1 ILE 29 14.198 -5.921 -7.018
290 2HD1 ILE 29 2HD1 ILE 29 15.421 -5.798 -8.282
291 3HD1 ILE 29 3HD1 ILE 29 15.908 -5.965 -6.596
292 MG ILE 29 MG ILE 29 13.622 -4.330 -9.432
293 MD ILE 29 MD ILE 29 15.176 -5.895 -7.299
294 QG ILE 29 QG ILE 29 15.620 -3.682 -6.815
295 H ASN 30 H ASN 30 13.808 0.469 -9.038
296 HA ASN 30 HA ASN 30 11.783 1.706 -9.042
297 1HB ASN 30 1HB ASN 30 10.725 1.279 -11.241
298 2HB ASN 30 2HB ASN 30 12.464 1.557 -11.282
299 2HD2 ASN 30 1HD2 ASN 30 10.723 -0.014 -13.214
300 1HD2 ASN 30 2HD2 ASN 30 11.413 -1.563 -13.267
301 QB ASN 30 QB ASN 30 11.595 1.418 -11.261
302 QD ASN 30 QD ASN 30 11.068 -0.789 -13.241
303 H LYS 31 H LYS 31 11.315 -0.086 -7.150
304 HA LYS 31 HA LYS 31 9.141 -0.504 -6.124
305 1HB LYS 31 1HB LYS 31 8.228 -1.375 -8.865
306 2HB LYS 31 2HB LYS 31 7.259 -1.398 -7.401
307 1HG LYS 31 1HG LYS 31 7.344 0.996 -7.193
308 2HG LYS 31 2HG LYS 31 8.528 1.127 -8.493
309 1HD LYS 31 1HD LYS 31 6.704 -0.108 -9.917
310 2HD LYS 31 2HD LYS 31 5.602 0.463 -8.665
311 1HE LYS 31 1HE LYS 31 6.266 2.769 -9.061
312 2HE LYS 31 2HE LYS 31 7.498 2.251 -10.212
313 1HZ LYS 31 1HZ LYS 31 5.279 1.073 -11.173
314 2HZ LYS 31 2HZ LYS 31 4.651 2.529 -10.564
315 3HZ LYS 31 3HZ LYS 31 5.896 2.554 -11.718
316 QB LYS 31 QB LYS 31 7.744 -1.386 -8.133
317 QD LYS 31 QD LYS 31 6.153 0.177 -9.291
318 QG LYS 31 QG LYS 31 7.936 1.062 -7.843
319 QE LYS 31 QE LYS 31 6.882 2.510 -9.637
320 QZ LYS 31 QZ LYS 31 5.275 2.052 -11.152
321 H ARG 32 H ARG 32 11.620 -2.373 -6.644
322 HA ARG 32 HA ARG 32 10.034 -4.834 -6.072
323 1HB ARG 32 1HB ARG 32 11.481 -4.389 -8.451
324 2HB ARG 32 2HB ARG 32 12.429 -5.533 -7.499
325 1HG ARG 32 1HG ARG 32 9.472 -5.948 -7.689
326 2HG ARG 32 2HG ARG 32 10.468 -6.375 -9.081
327 1HD ARG 32 1HD ARG 32 11.617 -8.035 -7.923
328 2HD ARG 32 2HD ARG 32 11.306 -7.296 -6.351
329 HE ARG 32 HE ARG 32 9.342 -8.911 -7.904
330 1HH1 ARG 32 1HH1 ARG 32 8.851 -6.499 -5.798
331 2HH1 ARG 32 2HH1 ARG 32 8.260 -7.455 -4.480
332 1HH2 ARG 32 1HH2 ARG 32 9.211 -10.475 -5.894
333 2HH2 ARG 32 2HH2 ARG 32 8.460 -9.706 -4.536
334 QB ARG 32 QB ARG 32 11.955 -4.961 -7.975
335 QG ARG 32 QG ARG 32 9.970 -6.161 -8.385
336 QD ARG 32 QD ARG 32 11.462 -7.665 -7.137
337 QH1 ARG 32 QH1 ARG 32 8.556 -6.977 -5.139
338 QH2 ARG 32 QH2 ARG 32 8.835 -10.090 -5.215
339 H GLY 33 H GLY 33 10.634 -4.466 -3.835
340 1HA GLY 33 1HA GLY 33 13.538 -4.682 -3.230
341 2HA GLY 33 2HA GLY 33 12.282 -4.230 -2.073
342 QA GLY 33 QA GLY 33 12.910 -4.456 -2.651
343 H ARG 34 H ARG 34 13.174 -5.945 -0.667
344 HA ARG 34 HA ARG 34 11.920 -8.555 -1.315
345 1HB ARG 34 1HB ARG 34 13.970 -9.765 -0.578
346 2HB ARG 34 2HB ARG 34 14.239 -8.824 -2.046
347 1HG ARG 34 1HG ARG 34 15.301 -7.049 -0.787
348 2HG ARG 34 2HG ARG 34 14.885 -7.825 0.742
349 1HD ARG 34 1HD ARG 34 16.897 -8.846 0.633
350 2HD ARG 34 2HD ARG 34 16.225 -9.816 -0.679
351 HE ARG 34 HE ARG 34 17.055 -7.750 -2.122
352 1HH1 ARG 34 1HH1 ARG 34 18.687 -10.041 -0.329
353 2HH1 ARG 34 2HH1 ARG 34 20.221 -9.236 -0.351
354 1HH2 ARG 34 1HH2 ARG 34 18.965 -6.312 -1.729
355 2HH2 ARG 34 2HH2 ARG 34 20.378 -7.124 -1.140
356 QB ARG 34 QB ARG 34 14.104 -9.295 -1.312
357 QG ARG 34 QG ARG 34 15.093 -7.437 -0.023
358 QD ARG 34 QD ARG 34 16.561 -9.331 -0.023
359 QH1 ARG 34 QH1 ARG 34 19.454 -9.639 -0.340
360 QH2 ARG 34 QH2 ARG 34 19.672 -6.718 -1.435
No H/Q in entry = 360
Start of MODEL 9
1 H1 MET 1 H1 MET 1 -19.237 16.280 4.102
2 H2 MET 1 H2 MET 1 -19.920 15.509 5.450
3 H3 MET 1 H3 MET 1 -18.860 16.819 5.669
4 HA MET 1 HA MET 1 -16.999 15.586 4.954
5 1HB MET 1 1HB MET 1 -17.912 15.133 7.277
6 2HB MET 1 2HB MET 1 -18.683 13.691 6.614
7 1HG MET 1 1HG MET 1 -16.729 12.548 6.524
8 2HG MET 1 2HG MET 1 -15.846 13.938 5.890
9 1HE MET 1 1HE MET 1 -15.302 11.572 8.178
10 2HE MET 1 2HE MET 1 -15.409 12.136 9.844
11 3HE MET 1 3HE MET 1 -16.883 11.842 8.909
12 QB MET 1 QB MET 1 -18.298 14.412 6.946
13 QG MET 1 QG MET 1 -16.287 13.243 6.207
14 ME MET 1 ME MET 1 -15.865 11.850 8.977
15 H SER 2 H SER 2 -19.828 13.384 4.809
16 HA SER 2 HA SER 2 -20.422 11.864 3.103
17 1HB SER 2 1HB SER 2 -19.738 12.325 0.970
18 2HB SER 2 2HB SER 2 -19.126 13.803 1.708
19 HG SER 2 HG SER 2 -17.535 12.687 0.471
20 QB SER 2 QB SER 2 -19.432 13.064 1.339
21 H TRP 3 H TRP 3 -17.914 11.754 5.124
22 HA TRP 3 HA TRP 3 -16.382 10.102 5.771
23 1HB TRP 3 1HB TRP 3 -18.116 8.203 4.180
24 2HB TRP 3 2HB TRP 3 -17.174 7.860 5.630
25 HD1 TRP 3 HD1 TRP 3 -18.028 10.217 7.470
26 HE1 TRP 3 HE1 TRP 3 -20.430 10.355 8.396
27 HE3 TRP 3 HE3 TRP 3 -20.449 7.273 4.075
28 HZ2 TRP 3 HZ2 TRP 3 -23.035 9.346 7.778
29 HZ3 TRP 3 HZ3 TRP 3 -22.887 6.876 4.266
30 HH2 TRP 3 HH2 TRP 3 -24.184 7.908 6.111
31 QB TRP 3 QB TRP 3 -17.645 8.032 4.905
32 H ALA 4 H ALA 4 -15.738 7.690 4.255
33 HA ALA 4 HA ALA 4 -14.486 6.982 2.378
34 1HB ALA 4 1HB ALA 4 -16.003 8.802 1.196
35 2HB ALA 4 2HB ALA 4 -14.509 9.738 1.201
36 3HB ALA 4 3HB ALA 4 -14.567 8.174 0.388
37 MB ALA 4 MB ALA 4 -15.026 8.905 0.929
38 H LEU 5 H LEU 5 -13.767 9.504 4.510
39 HA LEU 5 HA LEU 5 -11.001 9.873 3.545
40 1HB LEU 5 1HB LEU 5 -12.742 11.515 4.909
41 2HB LEU 5 2HB LEU 5 -11.690 10.935 6.201
42 HG LEU 5 HG LEU 5 -10.808 13.005 5.141
43 1HD1 LEU 5 1HD1 LEU 5 -9.213 10.467 4.673
44 2HD1 LEU 5 2HD1 LEU 5 -8.527 12.091 4.645
45 3HD1 LEU 5 3HD1 LEU 5 -9.218 11.452 6.136
46 1HD2 LEU 5 1HD2 LEU 5 -11.739 11.960 2.809
47 2HD2 LEU 5 2HD2 LEU 5 -10.507 13.217 2.882
48 3HD2 LEU 5 3HD2 LEU 5 -10.034 11.530 2.685
49 MD1 LEU 5 MD1 LEU 5 -8.986 11.336 5.151
50 MD2 LEU 5 MD2 LEU 5 -10.760 12.236 2.792
51 QB LEU 5 QB LEU 5 -12.216 11.225 5.555
52 QD LEU 5 QD LEU 5 -9.873 11.786 3.972
53 H GLU 6 H GLU 6 -12.696 8.448 6.341
54 HA GLU 6 HA GLU 6 -10.272 7.586 7.654
55 1HB GLU 6 1HB GLU 6 -12.479 7.859 8.807
56 2HB GLU 6 2HB GLU 6 -13.071 6.449 7.928
57 1HG GLU 6 1HG GLU 6 -11.530 4.995 9.006
58 2HG GLU 6 2HG GLU 6 -10.564 6.343 9.610
59 QB GLU 6 QB GLU 6 -12.775 7.154 8.368
60 QG GLU 6 QG GLU 6 -11.047 5.669 9.308
61 H MET 7 H MET 7 -11.731 6.561 4.812
62 HA MET 7 HA MET 7 -10.561 3.827 5.120
63 1HB MET 7 1HB MET 7 -12.086 3.263 3.147
64 2HB MET 7 2HB MET 7 -12.893 3.575 4.684
65 1HG MET 7 1HG MET 7 -13.563 5.755 4.011
66 2HG MET 7 2HG MET 7 -12.451 5.758 2.643
67 1HE MET 7 1HE MET 7 -15.496 4.906 4.269
68 2HE MET 7 2HE MET 7 -16.619 4.239 3.075
69 3HE MET 7 3HE MET 7 -15.487 3.181 3.913
70 QB MET 7 QB MET 7 -12.490 3.419 3.916
71 QG MET 7 QG MET 7 -13.007 5.756 3.327
72 ME MET 7 ME MET 7 -15.867 4.109 3.752
73 H ALA 8 H ALA 8 -10.870 6.632 3.004
74 HA ALA 8 HA ALA 8 -9.028 5.562 0.985
75 1HB ALA 8 1HB ALA 8 -10.960 6.985 0.371
76 2HB ALA 8 3HB ALA 8 -9.429 7.655 -0.192
77 3HB ALA 8 2HB ALA 8 -10.216 8.332 1.232
78 MB ALA 8 MB ALA 8 -10.202 7.658 0.471
79 H ASP 9 H ASP 9 -8.575 7.760 3.718
80 HA ASP 9 HA ASP 9 -6.615 9.398 3.052
81 1HB ASP 9 1HB ASP 9 -7.638 8.667 5.361
82 2HB ASP 9 2HB ASP 9 -6.120 7.782 5.507
83 QB ASP 9 QB ASP 9 -6.879 8.225 5.434
84 H THR 10 H THR 10 -4.493 8.177 4.789
85 HA THR 10 HA THR 10 -2.305 7.987 3.277
86 HB THR 10 HB THR 10 -2.941 6.169 5.608
87 HG1 THR 10 HG1 THR 10 -1.305 8.165 6.178
88 1HG2 THR 10 1HG2 THR 10 -0.492 6.649 3.986
89 2HG2 THR 10 2HG2 THR 10 -0.286 6.547 5.735
90 3HG2 THR 10 3HG2 THR 10 -1.003 5.200 4.851
91 MG THR 10 MG THR 10 -0.593 6.132 4.857
92 H PHE 11 H PHE 11 -3.219 7.034 1.248
93 HA PHE 11 HA PHE 11 -3.202 5.267 -0.321
94 1HB PHE 11 2HB PHE 11 -2.087 3.213 0.221
95 2HB PHE 11 1HB PHE 11 -2.115 3.596 1.938
96 HD1 PHE 11 HD1 PHE 11 -0.967 5.118 -1.303
97 HD2 PHE 11 HD2 PHE 11 -0.174 4.506 2.874
98 HE1 PHE 11 HE1 PHE 11 1.197 6.305 -1.541
99 HE2 PHE 11 HE2 PHE 11 1.990 5.694 2.636
100 HZ PHE 11 HZ PHE 11 2.676 6.594 0.429
101 QB PHE 11 QB PHE 11 -2.101 3.405 1.079
102 QD PHE 11 QD PHE 11 -0.570 4.812 0.785
103 QE PHE 11 QE PHE 11 1.594 6.000 0.548
104 QR PHE 11 QR PHE 11 0.945 5.643 0.619
105 H LEU 12 H LEU 12 -4.983 5.528 2.392
106 HA LEU 12 HA LEU 12 -6.227 2.982 2.539
107 1HB LEU 12 1HB LEU 12 -6.154 5.408 3.952
108 2HB LEU 12 2HB LEU 12 -7.801 5.305 3.377
109 HG LEU 12 HG LEU 12 -8.042 3.069 4.365
110 1HD1 LEU 12 1HD1 LEU 12 -5.102 3.407 4.650
111 2HD1 LEU 12 2HD1 LEU 12 -5.929 2.571 5.964
112 3HD1 LEU 12 3HD1 LEU 12 -6.039 1.952 4.315
113 1HD2 LEU 12 1HD2 LEU 12 -8.139 5.330 5.744
114 2HD2 LEU 12 2HD2 LEU 12 -8.237 3.777 6.574
115 3HD2 LEU 12 3HD2 LEU 12 -6.710 4.659 6.533
116 MD1 LEU 12 MD1 LEU 12 -5.690 2.644 4.976
117 MD2 LEU 12 MD2 LEU 12 -7.695 4.589 6.284
118 QB LEU 12 QB LEU 12 -6.978 5.357 3.665
119 QD LEU 12 QD LEU 12 -6.693 3.616 5.630
120 H ASP 13 H ASP 13 -6.145 5.564 0.315
121 HA ASP 13 HA ASP 13 -8.804 5.515 -0.759
122 1HB ASP 13 1HB ASP 13 -6.595 6.985 -1.273
123 2HB ASP 13 2HB ASP 13 -6.530 5.866 -2.634
124 QB ASP 13 QB ASP 13 -6.562 6.425 -1.954
125 H ASN 14 H ASN 14 -5.882 3.938 -2.113
126 HA ASN 14 HA ASN 14 -7.531 2.148 -3.727
127 1HB ASN 14 1HB ASN 14 -4.764 2.921 -3.603
128 2HB ASN 14 2HB ASN 14 -4.866 1.162 -3.527
129 2HD2 ASN 14 1HD2 ASN 14 -4.785 0.261 -5.584
130 1HD2 ASN 14 2HD2 ASN 14 -5.457 0.951 -6.982
131 QB ASN 14 QB ASN 14 -4.815 2.042 -3.565
132 QD ASN 14 QD ASN 14 -5.121 0.606 -6.283
133 H MET 15 H MET 15 -5.375 1.773 -0.915
134 HA MET 15 HA MET 15 -5.113 -0.079 0.539
135 1HB MET 15 1HB MET 15 -7.375 1.266 1.033
136 2HB MET 15 2HB MET 15 -8.088 -0.291 0.613
137 1HG MET 15 1HG MET 15 -6.052 -1.085 2.246
138 2HG MET 15 2HG MET 15 -6.474 0.468 2.969
139 1HE MET 15 1HE MET 15 -6.448 -1.612 4.554
140 2HE MET 15 2HE MET 15 -7.993 -2.103 5.262
141 3HE MET 15 3HE MET 15 -7.258 -3.071 3.987
142 QB MET 15 QB MET 15 -7.731 0.487 0.823
143 QG MET 15 QG MET 15 -6.263 -0.309 2.607
144 ME MET 15 ME MET 15 -7.233 -2.262 4.601
145 H ARG 16 H ARG 16 -4.675 -1.159 -1.861
146 HA ARG 16 HA ARG 16 -6.555 -3.458 -2.132
147 1HB ARG 16 1HB ARG 16 -4.875 -1.926 -3.994
148 2HB ARG 16 2HB ARG 16 -4.727 -3.672 -4.195
149 1HG ARG 16 1HG ARG 16 -7.197 -3.853 -4.330
150 2HG ARG 16 2HG ARG 16 -7.320 -2.099 -4.180
151 1HD ARG 16 1HD ARG 16 -5.814 -1.942 -6.229
152 2HD ARG 16 2HD ARG 16 -6.058 -3.677 -6.433
153 HE ARG 16 HE ARG 16 -8.382 -3.251 -6.944
154 1HH1 ARG 16 1HH1 ARG 16 -6.311 -0.708 -7.546
155 2HH1 ARG 16 2HH1 ARG 16 -7.536 0.514 -7.639
156 1HH2 ARG 16 1HH2 ARG 16 -10.070 -1.567 -6.509
157 2HH2 ARG 16 2HH2 ARG 16 -9.664 0.027 -7.051
158 QB ARG 16 QB ARG 16 -4.801 -2.799 -4.095
159 QG ARG 16 QG ARG 16 -7.259 -2.976 -4.255
160 QD ARG 16 QD ARG 16 -5.936 -2.809 -6.331
161 QH1 ARG 16 QH1 ARG 16 -6.924 -0.097 -7.592
162 QH2 ARG 16 QH2 ARG 16 -9.867 -0.770 -6.780
163 H VAL 17 H VAL 17 -5.125 -3.763 0.106
164 HA VAL 17 HA VAL 17 -3.784 -5.415 1.129
165 HB VAL 17 HB VAL 17 -2.823 -6.281 -1.592
166 1HG1 VAL 17 1HG1 VAL 17 -2.499 -7.190 1.064
167 2HG1 VAL 17 2HG1 VAL 17 -3.582 -8.342 0.284
168 3HG1 VAL 17 3HG1 VAL 17 -1.995 -8.012 -0.412
169 1HG2 VAL 17 1HG2 VAL 17 -5.566 -6.424 -0.457
170 2HG2 VAL 17 2HG2 VAL 17 -5.045 -6.448 -2.142
171 3HG2 VAL 17 3HG2 VAL 17 -4.942 -7.915 -1.167
172 MG1 VAL 17 MG1 VAL 17 -2.692 -7.848 0.312
173 MG2 VAL 17 MG2 VAL 17 -5.184 -6.929 -1.255
174 QG VAL 17 QG VAL 17 -3.938 -7.388 -0.472
175 H GLY 18 H GLY 18 -2.813 -2.956 1.169
176 1HA GLY 18 1HA GLY 18 -0.480 -2.274 -0.213
177 2HA GLY 18 2HA GLY 18 -0.798 -1.784 1.448
178 QA GLY 18 QA GLY 18 -0.639 -2.029 0.617
179 1HB PRO 19 1HB PRO 19 2.129 -4.362 5.296
180 2HB PRO 19 2HB PRO 19 2.795 -2.957 4.447
181 1HG PRO 19 2HG PRO 19 0.928 -1.858 5.249
182 2HG PRO 19 1HG PRO 19 0.045 -3.370 5.520
183 1HD PRO 19 1HD PRO 19 -1.096 -2.923 3.577
184 2HD PRO 19 2HD PRO 19 0.010 -1.596 3.165
185 QB PRO 19 QB PRO 19 2.462 -3.660 4.871
186 QG PRO 19 QG PRO 19 0.487 -2.614 5.384
187 QD PRO 19 QD PRO 19 -0.543 -2.260 3.371
188 H ARG 20 H ARG 20 0.065 -5.223 4.909
189 HA ARG 20 HA ARG 20 -0.958 -7.296 5.322
190 1HB ARG 20 1HB ARG 20 -1.267 -7.342 2.814
191 2HB ARG 20 2HB ARG 20 0.267 -8.206 2.701
192 1HG ARG 20 1HG ARG 20 -0.768 -10.138 3.177
193 2HG ARG 20 2HG ARG 20 -1.321 -9.471 4.713
194 1HD ARG 20 1HD ARG 20 -3.309 -8.572 3.696
195 2HD ARG 20 2HD ARG 20 -2.720 -8.952 2.078
196 HE ARG 20 HE ARG 20 -2.893 -11.329 3.719
197 1HH1 ARG 20 1HH1 ARG 20 -3.847 -10.225 0.820
198 2HH1 ARG 20 2HH1 ARG 20 -5.477 -10.808 0.877
199 1HH2 ARG 20 1HH2 ARG 20 -5.361 -11.586 4.255
200 2HH2 ARG 20 2HH2 ARG 20 -6.335 -11.578 2.822
201 QB ARG 20 QB ARG 20 -0.500 -7.774 2.758
202 QG ARG 20 QG ARG 20 -1.045 -9.805 3.945
203 QD ARG 20 QD ARG 20 -3.014 -8.762 2.887
204 QH1 ARG 20 QH1 ARG 20 -4.662 -10.517 0.849
205 QH2 ARG 20 QH2 ARG 20 -5.848 -11.582 3.539
206 H THR 21 H THR 21 2.112 -6.584 5.599
207 HA THR 21 HA THR 21 2.948 -9.375 6.288
208 HB THR 21 HB THR 21 4.731 -7.019 5.598
209 HG1 THR 21 HG1 THR 21 5.106 -8.663 3.785
210 1HG2 THR 21 1HG2 THR 21 5.735 -8.668 7.138
211 2HG2 THR 21 2HG2 THR 21 5.334 -9.961 6.007
212 3HG2 THR 21 3HG2 THR 21 6.505 -8.721 5.552
213 MG THR 21 MG THR 21 5.858 -9.117 6.232
214 H TYR 22 H TYR 22 1.945 -9.086 8.409
215 HA TYR 22 HA TYR 22 3.387 -7.131 10.155
216 1HB TYR 22 1HB TYR 22 1.209 -8.218 11.587
217 2HB TYR 22 2HB TYR 22 1.343 -6.590 10.929
218 HD1 TYR 22 HD1 TYR 22 0.475 -6.089 8.641
219 HD2 TYR 22 HD2 TYR 22 -0.174 -9.883 10.547
220 HE1 TYR 22 HE1 TYR 22 -1.330 -6.594 7.019
221 HE2 TYR 22 HE2 TYR 22 -1.980 -10.389 8.923
222 HH TYR 22 HH TYR 22 -2.479 -9.529 6.406
223 QB TYR 22 QB TYR 22 1.276 -7.404 11.258
224 QD TYR 22 QD TYR 22 0.150 -7.986 9.594
225 QE TYR 22 QE TYR 22 -1.655 -8.492 7.971
226 QR TYR 22 QR TYR 22 -0.752 -8.239 8.782
227 H ALA 23 H ALA 23 1.927 -10.410 10.393
228 HA ALA 23 HA ALA 23 3.132 -11.240 12.734
229 1HB ALA 23 3HB ALA 23 1.942 -13.028 12.022
230 2HB ALA 23 2HB ALA 23 3.409 -13.490 11.158
231 3HB ALA 23 1HB ALA 23 2.146 -12.580 10.328
232 MB ALA 23 MB ALA 23 2.499 -13.033 11.169
233 H ASP 24 H ASP 24 4.597 -10.830 9.630
234 HA ASP 24 HA ASP 24 7.120 -12.110 10.350
235 1HB ASP 24 1HB ASP 24 5.904 -10.979 7.964
236 2HB ASP 24 2HB ASP 24 7.583 -10.464 8.135
237 QB ASP 24 QB ASP 24 6.743 -10.722 8.050
238 H VAL 25 H VAL 25 6.618 -8.749 9.219
239 HA VAL 25 HA VAL 25 8.922 -7.556 10.066
240 HB VAL 25 HB VAL 25 6.144 -6.423 10.513
241 1HG1 VAL 25 1HG1 VAL 25 8.683 -5.412 11.253
242 2HG1 VAL 25 2HG1 VAL 25 8.186 -4.507 9.825
243 3HG1 VAL 25 3HG1 VAL 25 7.147 -4.547 11.249
244 1HG2 VAL 25 1HG2 VAL 25 8.038 -6.432 8.152
245 2HG2 VAL 25 2HG2 VAL 25 6.376 -7.020 8.206
246 3HG2 VAL 25 3HG2 VAL 25 6.702 -5.289 8.293
247 MG1 VAL 25 MG1 VAL 25 8.005 -4.822 10.776
248 MG2 VAL 25 MG2 VAL 25 7.039 -6.247 8.217
249 QG VAL 25 QG VAL 25 7.522 -5.534 9.496
250 H ARG 26 H ARG 26 6.122 -8.114 12.186
251 HA ARG 26 HA ARG 26 7.405 -7.156 14.587
252 1HB ARG 26 2HB ARG 26 5.540 -8.156 15.750
253 2HB ARG 26 1HB ARG 26 5.211 -9.260 14.415
254 1HG ARG 26 1HG ARG 26 4.868 -6.247 14.444
255 2HG ARG 26 2HG ARG 26 4.742 -7.224 12.983
256 1HD ARG 26 2HD ARG 26 2.996 -8.614 14.232
257 2HD ARG 26 1HD ARG 26 2.508 -6.981 13.778
258 HE ARG 26 HE ARG 26 3.610 -7.408 16.506
259 1HH1 ARG 26 1HH1 ARG 26 2.553 -5.025 16.870
260 2HH1 ARG 26 2HH1 ARG 26 0.833 -5.167 17.010
261 1HH2 ARG 26 1HH2 ARG 26 0.712 -8.331 15.599
262 2HH2 ARG 26 2HH2 ARG 26 -0.209 -7.038 16.290
263 QB ARG 26 QB ARG 26 5.375 -8.708 15.083
264 QG ARG 26 QG ARG 26 4.805 -6.736 13.714
265 QD ARG 26 QD ARG 26 2.752 -7.797 14.005
266 QH1 ARG 26 QH1 ARG 26 1.693 -5.096 16.940
267 QH2 ARG 26 QH2 ARG 26 0.251 -7.684 15.945
268 H ASP 27 H ASP 27 6.904 -10.617 13.504
269 HA ASP 27 HA ASP 27 8.392 -11.921 15.508
270 1HB ASP 27 1HB ASP 27 7.492 -13.171 13.568
271 2HB ASP 27 2HB ASP 27 8.633 -12.367 12.489
272 QB ASP 27 QB ASP 27 8.063 -12.769 13.028
273 H GLU 28 H GLU 28 9.517 -9.660 13.114
274 HA GLU 28 HA GLU 28 12.280 -10.018 13.573
275 1HB GLU 28 1HB GLU 28 10.942 -8.508 11.777
276 2HB GLU 28 2HB GLU 28 11.210 -7.291 13.026
277 1HG GLU 28 1HG GLU 28 13.338 -7.045 12.345
278 2HG GLU 28 2HG GLU 28 13.644 -8.752 12.664
279 QB GLU 28 QB GLU 28 11.076 -7.900 12.401
280 QG GLU 28 QG GLU 28 13.491 -7.898 12.504
281 H ILE 29 H ILE 29 12.330 -10.345 15.729
282 HA ILE 29 HA ILE 29 12.908 -9.466 17.932
283 HB ILE 29 HB ILE 29 10.888 -7.283 17.218
284 1HG1 ILE 29 1HG1 ILE 29 12.882 -6.970 15.864
285 2HG1 ILE 29 2HG1 ILE 29 12.976 -5.827 17.205
286 1HG2 ILE 29 1HG2 ILE 29 12.690 -7.827 19.600
287 2HG2 ILE 29 2HG2 ILE 29 12.040 -6.221 19.272
288 3HG2 ILE 29 3HG2 ILE 29 10.946 -7.569 19.586
289 1HD1 ILE 29 1HD1 ILE 29 14.179 -8.103 18.234
290 2HD1 ILE 29 2HD1 ILE 29 14.727 -8.082 16.557
291 3HD1 ILE 29 3HD1 ILE 29 15.026 -6.692 17.600
292 MG ILE 29 MG ILE 29 11.892 -7.206 19.486
293 MD ILE 29 MD ILE 29 14.644 -7.626 17.464
294 QG ILE 29 QG ILE 29 12.929 -6.398 16.534
295 H ASN 30 H ASN 30 11.450 -11.649 17.624
296 HA ASN 30 HA ASN 30 9.365 -12.730 17.847
297 1HB ASN 30 1HB ASN 30 8.882 -12.922 20.216
298 2HB ASN 30 2HB ASN 30 10.607 -13.061 19.884
299 2HD2 ASN 30 1HD2 ASN 30 11.543 -12.131 21.764
300 1HD2 ASN 30 2HD2 ASN 30 11.189 -10.567 22.321
301 QB ASN 30 QB ASN 30 9.745 -12.992 20.050
302 QD ASN 30 QD ASN 30 11.366 -11.349 22.043
303 H LYS 31 H LYS 31 8.829 -10.343 16.662
304 HA LYS 31 HA LYS 31 6.516 -9.589 16.251
305 1HB LYS 31 2HB LYS 31 5.804 -10.658 18.492
306 2HB LYS 31 1HB LYS 31 4.915 -9.270 17.887
307 1HG LYS 31 1HG LYS 31 7.171 -9.090 19.914
308 2HG LYS 31 2HG LYS 31 6.160 -7.767 19.351
309 1HD LYS 31 1HD LYS 31 5.449 -8.704 21.571
310 2HD LYS 31 2HD LYS 31 4.188 -8.752 20.337
311 1HE LYS 31 1HE LYS 31 4.655 -11.104 19.892
312 2HE LYS 31 2HE LYS 31 6.011 -11.077 21.019
313 1HZ LYS 31 1HZ LYS 31 3.226 -10.437 21.805
314 2HZ LYS 31 2HZ LYS 31 3.895 -11.989 21.936
315 3HZ LYS 31 3HZ LYS 31 4.555 -10.702 22.828
316 QB LYS 31 QB LYS 31 5.359 -9.964 18.189
317 QD LYS 31 QD LYS 31 4.818 -8.728 20.954
318 QG LYS 31 QG LYS 31 6.665 -8.429 19.632
319 QE LYS 31 QE LYS 31 5.333 -11.090 20.456
320 QZ LYS 31 QZ LYS 31 3.892 -11.042 22.190
321 H ARG 32 H ARG 32 9.298 -8.058 16.832
322 HA ARG 32 HA ARG 32 7.884 -5.441 17.097
323 1HB ARG 32 1HB ARG 32 9.472 -6.384 19.061
324 2HB ARG 32 2HB ARG 32 10.698 -5.629 18.049
325 1HG ARG 32 1HG ARG 32 9.701 -3.494 18.222
326 2HG ARG 32 2HG ARG 32 8.176 -4.163 18.805
327 1HD ARG 32 1HD ARG 32 9.333 -4.920 20.876
328 2HD ARG 32 2HD ARG 32 10.814 -4.153 20.303
329 HE ARG 32 HE ARG 32 9.861 -2.285 21.409
330 1HH1 ARG 32 1HH1 ARG 32 8.588 -1.776 18.693
331 2HH1 ARG 32 2HH1 ARG 32 6.937 -1.498 19.140
332 1HH2 ARG 32 1HH2 ARG 32 7.295 -2.853 22.314
333 2HH2 ARG 32 2HH2 ARG 32 6.204 -2.109 21.192
334 QB ARG 32 QB ARG 32 10.085 -6.007 18.555
335 QG ARG 32 QG ARG 32 8.938 -3.828 18.514
336 QD ARG 32 QD ARG 32 10.074 -4.537 20.589
337 QH1 ARG 32 QH1 ARG 32 7.762 -1.637 18.916
338 QH2 ARG 32 QH2 ARG 32 6.750 -2.481 21.753
339 H GLY 33 H GLY 33 10.824 -4.394 16.774
340 1HA GLY 33 1HA GLY 33 12.190 -3.719 14.995
341 2HA GLY 33 2HA GLY 33 11.675 -5.179 14.151
342 QA GLY 33 QA GLY 33 11.933 -4.449 14.573
343 H ARG 34 H ARG 34 11.707 -1.943 13.800
344 HA ARG 34 HA ARG 34 9.004 -1.780 12.557
345 1HB ARG 34 1HB ARG 34 10.633 0.077 13.996
346 2HB ARG 34 2HB ARG 34 10.440 0.685 12.350
347 1HG ARG 34 1HG ARG 34 7.914 -0.341 13.193
348 2HG ARG 34 2HG ARG 34 8.524 0.704 14.476
349 1HD ARG 34 2HD ARG 34 9.091 2.000 12.011
350 2HD ARG 34 1HD ARG 34 7.947 2.503 13.257
351 HE ARG 34 HE ARG 34 6.300 0.929 12.043
352 1HH1 ARG 34 1HH1 ARG 34 8.441 3.195 10.697
353 2HH1 ARG 34 2HH1 ARG 34 7.975 2.895 9.056
354 1HH2 ARG 34 1HH2 ARG 34 5.919 0.218 9.849
355 2HH2 ARG 34 2HH2 ARG 34 6.548 1.209 8.575
356 QB ARG 34 QB ARG 34 10.536 0.381 13.173
357 QG ARG 34 QG ARG 34 8.219 0.182 13.835
358 QD ARG 34 QD ARG 34 8.519 2.252 12.634
359 QH1 ARG 34 QH1 ARG 34 8.208 3.045 9.877
360 QH2 ARG 34 QH2 ARG 34 6.234 0.713 9.212
No H/Q in entry = 360
Start of MODEL 10
1 H1 MET 1 H1 MET 1 -22.006 3.433 1.258
2 H2 MET 1 H2 MET 1 -21.266 4.016 -0.152
3 H3 MET 1 H3 MET 1 -20.842 2.489 0.459
4 HA MET 1 HA MET 1 -19.087 3.703 1.224
5 1HB MET 1 1HB MET 1 -19.464 6.073 2.102
6 2HB MET 1 2HB MET 1 -19.699 5.853 0.367
7 1HG MET 1 2HG MET 1 -22.199 5.333 1.149
8 2HG MET 1 1HG MET 1 -21.650 6.984 0.858
9 1HE MET 1 1HE MET 1 -24.057 5.758 2.627
10 2HE MET 1 2HE MET 1 -24.092 6.836 4.020
11 3HE MET 1 3HE MET 1 -23.897 7.505 2.402
12 QB MET 1 QB MET 1 -19.581 5.963 1.235
13 QG MET 1 QG MET 1 -21.924 6.158 1.004
14 ME MET 1 ME MET 1 -24.016 6.700 3.016
15 H SER 2 H SER 2 -18.438 4.319 3.504
16 HA SER 2 HA SER 2 -20.437 3.942 5.608
17 1HB SER 2 1HB SER 2 -18.267 1.861 5.199
18 2HB SER 2 2HB SER 2 -19.385 1.924 6.559
19 HG SER 2 HG SER 2 -19.815 1.217 3.896
20 QB SER 2 QB SER 2 -18.826 1.893 5.879
21 H TRP 3 H TRP 3 -19.152 6.171 5.505
22 HA TRP 3 HA TRP 3 -17.381 7.538 6.332
23 1HB TRP 3 1HB TRP 3 -19.062 6.843 8.223
24 2HB TRP 3 2HB TRP 3 -17.692 5.916 8.839
25 HD1 TRP 3 HD1 TRP 3 -15.484 7.290 9.527
26 HE1 TRP 3 HE1 TRP 3 -15.175 9.744 10.259
27 HE3 TRP 3 HE3 TRP 3 -19.920 9.253 7.931
28 HZ2 TRP 3 HZ2 TRP 3 -16.621 12.212 10.179
29 HZ3 TRP 3 HZ3 TRP 3 -20.428 11.654 8.271
30 HH2 TRP 3 HH2 TRP 3 -18.785 13.135 9.393
31 QB TRP 3 QB TRP 3 -18.377 6.380 8.531
32 H ALA 4 H ALA 4 -15.931 5.798 4.862
33 HA ALA 4 HA ALA 4 -14.027 4.419 6.677
34 1HB ALA 4 1HB ALA 4 -15.103 3.690 4.239
35 2HB ALA 4 3HB ALA 4 -13.663 2.979 4.968
36 3HB ALA 4 2HB ALA 4 -13.503 4.285 3.793
37 MB ALA 4 MB ALA 4 -14.090 3.651 4.333
38 H LEU 5 H LEU 5 -14.120 7.384 6.453
39 HA LEU 5 HA LEU 5 -12.159 8.447 4.769
40 1HB LEU 5 1HB LEU 5 -12.209 10.344 6.081
41 2HB LEU 5 2HB LEU 5 -13.695 9.574 6.612
42 HG LEU 5 HG LEU 5 -12.572 10.301 8.584
43 1HD1 LEU 5 1HD1 LEU 5 -13.029 7.560 8.097
44 2HD1 LEU 5 2HD1 LEU 5 -11.524 7.659 9.007
45 3HD1 LEU 5 3HD1 LEU 5 -12.993 8.386 9.650
46 1HD2 LEU 5 1HD2 LEU 5 -10.221 9.811 7.047
47 2HD2 LEU 5 2HD2 LEU 5 -10.352 10.613 8.612
48 3HD2 LEU 5 3HD2 LEU 5 -10.097 8.871 8.534
49 MD1 LEU 5 MD1 LEU 5 -12.515 7.869 8.918
50 MD2 LEU 5 MD2 LEU 5 -10.224 9.765 8.065
51 QB LEU 5 QB LEU 5 -12.952 9.959 6.347
52 QD LEU 5 QD LEU 5 -11.369 8.817 8.491
53 H GLU 6 H GLU 6 -11.752 6.342 7.509
54 HA GLU 6 HA GLU 6 -8.959 6.862 7.985
55 1HB GLU 6 1HB GLU 6 -10.671 5.452 9.387
56 2HB GLU 6 2HB GLU 6 -10.197 4.134 8.314
57 1HG GLU 6 1HG GLU 6 -8.143 5.818 9.751
58 2HG GLU 6 2HG GLU 6 -8.861 4.394 10.503
59 QB GLU 6 QB GLU 6 -10.434 4.793 8.850
60 QG GLU 6 QG GLU 6 -8.502 5.106 10.127
61 H MET 7 H MET 7 -10.653 4.382 6.061
62 HA MET 7 HA MET 7 -8.248 3.343 4.856
63 1HB MET 7 1HB MET 7 -11.036 2.760 4.795
64 2HB MET 7 2HB MET 7 -10.531 3.032 3.128
65 1HG MET 7 1HG MET 7 -8.738 1.393 3.361
66 2HG MET 7 2HG MET 7 -9.126 1.171 5.067
67 1HE MET 7 1HE MET 7 -8.813 -1.206 3.926
68 2HE MET 7 2HE MET 7 -9.914 -1.361 5.302
69 3HE MET 7 3HE MET 7 -10.269 -2.190 3.787
70 QB MET 7 QB MET 7 -10.783 2.896 3.961
71 QG MET 7 QG MET 7 -8.932 1.282 4.214
72 ME MET 7 ME MET 7 -9.665 -1.586 4.338
73 H ALA 8 H ALA 8 -10.890 5.037 3.189
74 HA ALA 8 HA ALA 8 -9.655 5.886 0.874
75 1HB ALA 8 1HB ALA 8 -11.724 7.081 2.639
76 2HB ALA 8 2HB ALA 8 -10.977 8.167 1.466
77 3HB ALA 8 3HB ALA 8 -11.790 6.700 0.919
78 MB ALA 8 MB ALA 8 -11.497 7.316 1.675
79 H ASP 9 H ASP 9 -8.708 7.109 4.070
80 HA ASP 9 HA ASP 9 -7.661 9.502 3.649
81 1HB ASP 9 1HB ASP 9 -7.090 7.540 5.448
82 2HB ASP 9 2HB ASP 9 -5.550 7.686 4.600
83 QB ASP 9 QB ASP 9 -6.320 7.613 5.024
84 H THR 10 H THR 10 -4.906 9.609 3.322
85 HA THR 10 HA THR 10 -4.296 10.179 0.779
86 HB THR 10 HB THR 10 -2.355 8.261 2.016
87 HG1 THR 10 HG1 THR 10 -1.856 10.427 3.213
88 1HG2 THR 10 1HG2 THR 10 -2.361 10.432 0.114
89 2HG2 THR 10 2HG2 THR 10 -1.244 10.786 1.431
90 3HG2 THR 10 3HG2 THR 10 -1.065 9.300 0.499
91 MG THR 10 MG THR 10 -1.557 10.173 0.681
92 H PHE 11 H PHE 11 -5.988 8.828 -0.286
93 HA PHE 11 HA PHE 11 -6.839 6.909 -1.323
94 1HB PHE 11 1HB PHE 11 -4.846 5.800 -2.714
95 2HB PHE 11 2HB PHE 11 -5.688 7.262 -3.222
96 HD1 PHE 11 HD1 PHE 11 -4.729 9.527 -2.293
97 HD2 PHE 11 HD2 PHE 11 -2.509 5.854 -2.459
98 HE1 PHE 11 HE1 PHE 11 -2.608 10.803 -2.151
99 HE2 PHE 11 HE2 PHE 11 -0.389 7.128 -2.319
100 HZ PHE 11 HZ PHE 11 -0.436 9.603 -2.165
101 QB PHE 11 QB PHE 11 -5.267 6.531 -2.968
102 QD PHE 11 QD PHE 11 -3.619 7.690 -2.376
103 QE PHE 11 QE PHE 11 -1.498 8.966 -2.235
104 QR PHE 11 QR PHE 11 -2.134 8.583 -2.277
105 H LEU 12 H LEU 12 -5.934 6.659 1.288
106 HA LEU 12 HA LEU 12 -4.399 4.275 1.686
107 1HB LEU 12 1HB LEU 12 -5.562 6.390 3.277
108 2HB LEU 12 2HB LEU 12 -6.041 4.835 3.955
109 HG LEU 12 HG LEU 12 -3.342 4.496 3.300
110 1HD1 LEU 12 1HD1 LEU 12 -3.925 7.297 3.752
111 2HD1 LEU 12 2HD1 LEU 12 -2.879 6.675 5.029
112 3HD1 LEU 12 3HD1 LEU 12 -2.387 6.537 3.341
113 1HD2 LEU 12 1HD2 LEU 12 -4.979 4.858 5.773
114 2HD2 LEU 12 2HD2 LEU 12 -4.010 3.477 5.264
115 3HD2 LEU 12 3HD2 LEU 12 -3.225 4.902 5.943
116 MD1 LEU 12 MD1 LEU 12 -3.064 6.836 4.041
117 MD2 LEU 12 MD2 LEU 12 -4.072 4.412 5.660
118 QB LEU 12 QB LEU 12 -5.802 5.612 3.616
119 QD LEU 12 QD LEU 12 -3.568 5.624 4.850
120 H ASP 13 H ASP 13 -7.650 5.109 0.888
121 HA ASP 13 HA ASP 13 -9.066 2.884 1.978
122 1HB ASP 13 1HB ASP 13 -10.528 4.324 0.895
123 2HB ASP 13 2HB ASP 13 -9.461 4.541 -0.492
124 QB ASP 13 QB ASP 13 -9.995 4.432 0.202
125 H ASN 14 H ASN 14 -7.768 3.024 -1.358
126 HA ASN 14 HA ASN 14 -8.089 0.279 -1.921
127 1HB ASN 14 1HB ASN 14 -7.516 1.992 -3.624
128 2HB ASN 14 2HB ASN 14 -5.895 2.112 -2.937
129 2HD2 ASN 14 1HD2 ASN 14 -4.592 1.107 -4.513
130 1HD2 ASN 14 2HD2 ASN 14 -4.857 -0.460 -5.111
131 QB ASN 14 QB ASN 14 -6.706 2.052 -3.281
132 QD ASN 14 QD ASN 14 -4.724 0.324 -4.812
133 H MET 15 H MET 15 -5.275 1.986 -0.563
134 HA MET 15 HA MET 15 -3.205 1.014 0.187
135 1HB MET 15 1HB MET 15 -4.773 1.278 2.133
136 2HB MET 15 2HB MET 15 -5.233 -0.411 1.928
137 1HG MET 15 1HG MET 15 -2.693 -0.901 2.062
138 2HG MET 15 2HG MET 15 -2.556 0.728 2.723
139 1HE MET 15 1HE MET 15 -1.726 0.515 4.580
140 2HE MET 15 2HE MET 15 -3.045 1.087 5.610
141 3HE MET 15 3HE MET 15 -2.190 -0.401 6.011
142 QB MET 15 QB MET 15 -5.003 0.434 2.030
143 QG MET 15 QG MET 15 -2.625 -0.087 2.393
144 ME MET 15 ME MET 15 -2.320 0.400 5.401
145 H ARG 16 H ARG 16 -3.831 -0.389 -2.107
146 HA ARG 16 HA ARG 16 -3.919 -3.259 -1.493
147 1HB ARG 16 1HB ARG 16 -4.881 -1.929 -3.579
148 2HB ARG 16 2HB ARG 16 -3.263 -2.215 -4.219
149 1HG ARG 16 1HG ARG 16 -3.624 -4.445 -4.471
150 2HG ARG 16 2HG ARG 16 -4.502 -4.570 -2.947
151 1HD ARG 16 2HD ARG 16 -6.363 -3.232 -4.229
152 2HD ARG 16 1HD ARG 16 -6.202 -4.967 -4.499
153 HE ARG 16 HE ARG 16 -4.917 -4.386 -6.583
154 1HH1 ARG 16 1HH1 ARG 16 -4.239 -1.711 -6.709
155 2HH1 ARG 16 2HH1 ARG 16 -5.604 -0.881 -7.379
156 1HH2 ARG 16 1HH2 ARG 16 -7.831 -3.456 -6.718
157 2HH2 ARG 16 2HH2 ARG 16 -7.637 -1.868 -7.384
158 QB ARG 16 QB ARG 16 -4.072 -2.072 -3.899
159 QG ARG 16 QG ARG 16 -4.063 -4.507 -3.709
160 QD ARG 16 QD ARG 16 -6.282 -4.099 -4.364
161 QH1 ARG 16 QH1 ARG 16 -4.921 -1.296 -7.044
162 QH2 ARG 16 QH2 ARG 16 -7.734 -2.662 -7.051
163 H VAL 17 H VAL 17 -1.750 -2.498 -0.189
164 HA VAL 17 HA VAL 17 0.508 -3.153 0.014
165 HB VAL 17 HB VAL 17 0.525 -3.937 -2.891
166 1HG1 VAL 17 1HG1 VAL 17 2.463 -4.040 -1.043
167 2HG1 VAL 17 2HG1 VAL 17 1.657 -5.560 -0.657
168 3HG1 VAL 17 3HG1 VAL 17 2.292 -5.286 -2.280
169 1HG2 VAL 17 1HG2 VAL 17 -1.226 -4.968 -0.785
170 2HG2 VAL 17 2HG2 VAL 17 -1.256 -5.284 -2.520
171 3HG2 VAL 17 3HG2 VAL 17 -0.191 -6.221 -1.471
172 MG1 VAL 17 MG1 VAL 17 2.137 -4.962 -1.327
173 MG2 VAL 17 MG2 VAL 17 -0.891 -5.491 -1.592
174 QG VAL 17 QG VAL 17 0.623 -5.227 -1.459
175 H GLY 18 H GLY 18 -0.166 -0.490 -0.542
176 1HA GLY 18 1HA GLY 18 1.515 1.275 -0.878
177 2HA GLY 18 2HA GLY 18 2.180 0.318 -2.202
178 QA GLY 18 QA GLY 18 1.848 0.796 -1.540
179 1HB PRO 19 1HB PRO 19 1.043 4.870 -5.347
180 2HB PRO 19 2HB PRO 19 0.576 5.260 -3.681
181 1HG PRO 19 2HG PRO 19 2.816 4.933 -3.210
182 2HG PRO 19 1HG PRO 19 3.078 3.981 -4.681
183 1HD PRO 19 1HD PRO 19 3.002 2.111 -3.348
184 2HD PRO 19 2HD PRO 19 2.417 3.053 -1.960
185 QB PRO 19 QB PRO 19 0.810 5.065 -4.514
186 QG PRO 19 QG PRO 19 2.947 4.457 -3.946
187 QD PRO 19 QD PRO 19 2.710 2.582 -2.654
188 H ARG 20 H ARG 20 1.469 1.159 -5.032
189 HA ARG 20 HA ARG 20 -0.047 0.858 -7.551
190 1HB ARG 20 1HB ARG 20 2.369 2.252 -7.541
191 2HB ARG 20 2HB ARG 20 2.828 0.625 -8.045
192 1HG ARG 20 2HG ARG 20 0.473 1.124 -9.453
193 2HG ARG 20 1HG ARG 20 2.108 1.194 -10.110
194 1HD ARG 20 1HD ARG 20 0.434 3.460 -9.014
195 2HD ARG 20 2HD ARG 20 2.179 3.606 -9.218
196 HE ARG 20 HE ARG 20 1.794 3.149 -11.663
197 1HH1 ARG 20 1HH1 ARG 20 -1.189 2.938 -10.190
198 2HH1 ARG 20 2HH1 ARG 20 -1.989 4.075 -11.223
199 1HH2 ARG 20 1HH2 ARG 20 0.930 5.127 -12.772
200 2HH2 ARG 20 2HH2 ARG 20 -0.790 5.312 -12.685
201 QB ARG 20 QB ARG 20 2.598 1.438 -7.793
202 QG ARG 20 QG ARG 20 1.290 1.159 -9.781
203 QD ARG 20 QD ARG 20 1.307 3.533 -9.116
204 QH1 ARG 20 QH1 ARG 20 -1.589 3.507 -10.706
205 QH2 ARG 20 QH2 ARG 20 0.070 5.219 -12.729
206 H THR 21 H THR 21 2.096 -0.987 -8.573
207 HA THR 21 HA THR 21 1.960 -3.121 -6.492
208 HB THR 21 HB THR 21 1.645 -4.095 -9.243
209 HG1 THR 21 HG1 THR 21 0.159 -2.710 -9.744
210 1HG2 THR 21 1HG2 THR 21 0.557 -4.582 -6.507
211 2HG2 THR 21 2HG2 THR 21 -0.416 -5.107 -7.880
212 3HG2 THR 21 3HG2 THR 21 1.222 -5.727 -7.671
213 MG THR 21 MG THR 21 0.454 -5.139 -7.353
214 H TYR 22 H TYR 22 3.666 -1.627 -9.148
215 HA TYR 22 HA TYR 22 5.813 -3.692 -9.000
216 1HB TYR 22 1HB TYR 22 5.240 -1.467 -10.986
217 2HB TYR 22 2HB TYR 22 6.633 -2.539 -11.070
218 HD1 TYR 22 HD1 TYR 22 6.268 -5.036 -11.266
219 HD2 TYR 22 HD2 TYR 22 3.112 -2.169 -11.784
220 HE1 TYR 22 HE1 TYR 22 4.901 -6.749 -12.424
221 HE2 TYR 22 HE2 TYR 22 1.744 -3.884 -12.943
222 HH TYR 22 HH TYR 22 2.122 -6.977 -12.735
223 QB TYR 22 QB TYR 22 5.936 -2.003 -11.028
224 QD TYR 22 QD TYR 22 4.690 -3.603 -11.525
225 QE TYR 22 QE TYR 22 3.323 -5.317 -12.684
226 QR TYR 22 QR TYR 22 4.006 -4.460 -12.104
227 H ALA 23 H ALA 23 5.311 -0.126 -8.683
228 HA ALA 23 HA ALA 23 6.876 1.427 -7.764
229 1HB ALA 23 3HB ALA 23 6.490 0.587 -5.619
230 2HB ALA 23 2HB ALA 23 8.211 0.251 -5.810
231 3HB ALA 23 1HB ALA 23 7.029 -1.031 -6.067
232 MB ALA 23 MB ALA 23 7.243 -0.064 -5.832
233 H ASP 24 H ASP 24 7.503 0.250 -10.106
234 HA ASP 24 HA ASP 24 9.342 -0.102 -11.549
235 1HB ASP 24 1HB ASP 24 10.485 1.278 -9.235
236 2HB ASP 24 2HB ASP 24 11.628 0.140 -9.949
237 QB ASP 24 QB ASP 24 11.056 0.709 -9.592
238 H VAL 25 H VAL 25 8.045 -2.146 -10.166
239 HA VAL 25 HA VAL 25 8.224 -4.318 -9.312
240 HB VAL 25 HB VAL 25 8.979 -4.777 -11.577
241 1HG1 VAL 25 1HG1 VAL 25 11.692 -3.918 -10.533
242 2HG1 VAL 25 2HG1 VAL 25 11.453 -4.761 -12.063
243 3HG1 VAL 25 3HG1 VAL 25 10.760 -3.158 -11.823
244 1HG2 VAL 25 1HG2 VAL 25 9.229 -6.484 -9.659
245 2HG2 VAL 25 2HG2 VAL 25 10.114 -6.812 -11.148
246 3HG2 VAL 25 3HG2 VAL 25 10.956 -6.143 -9.750
247 MG1 VAL 25 MG1 VAL 25 11.302 -3.945 -11.473
248 MG2 VAL 25 MG2 VAL 25 10.100 -6.480 -10.186
249 QG VAL 25 QG VAL 25 10.701 -5.213 -10.829
250 H ARG 26 H ARG 26 9.616 -1.998 -8.148
251 HA ARG 26 HA ARG 26 11.962 -3.066 -6.702
252 1HB ARG 26 1HB ARG 26 11.319 -0.539 -7.537
253 2HB ARG 26 2HB ARG 26 10.637 -0.490 -5.909
254 1HG ARG 26 1HG ARG 26 12.699 -0.419 -4.962
255 2HG ARG 26 2HG ARG 26 13.316 -1.702 -6.002
256 1HD ARG 26 1HD ARG 26 12.807 0.807 -7.435
257 2HD ARG 26 2HD ARG 26 14.024 0.964 -6.168
258 HE ARG 26 HE ARG 26 14.611 -1.387 -7.650
259 1HH1 ARG 26 1HH1 ARG 26 13.716 0.803 -9.692
260 2HH1 ARG 26 2HH1 ARG 26 15.266 1.419 -10.161
261 1HH2 ARG 26 1HH2 ARG 26 16.950 -0.067 -7.518
262 2HH2 ARG 26 2HH2 ARG 26 17.098 0.925 -8.930
263 QB ARG 26 QB ARG 26 10.978 -0.515 -6.723
264 QG ARG 26 QG ARG 26 13.008 -1.061 -5.482
265 QD ARG 26 QD ARG 26 13.415 0.886 -6.802
266 QH1 ARG 26 QH1 ARG 26 14.491 1.111 -9.926
267 QH2 ARG 26 QH2 ARG 26 17.024 0.429 -8.224
268 H ASP 27 H ASP 27 8.863 -1.533 -5.730
269 HA ASP 27 HA ASP 27 8.781 -2.442 -3.041
270 1HB ASP 27 1HB ASP 27 6.916 -1.142 -4.176
271 2HB ASP 27 2HB ASP 27 6.411 -2.638 -4.962
272 QB ASP 27 QB ASP 27 6.663 -1.890 -4.569
273 H GLU 28 H GLU 28 8.628 -4.305 -5.965
274 HA GLU 28 HA GLU 28 7.798 -6.752 -4.859
275 1HB GLU 28 1HB GLU 28 8.263 -6.044 -7.388
276 2HB GLU 28 2HB GLU 28 9.873 -6.658 -7.010
277 1HG GLU 28 1HG GLU 28 8.249 -8.622 -5.968
278 2HG GLU 28 2HG GLU 28 7.355 -8.125 -7.406
279 QB GLU 28 QB GLU 28 9.068 -6.351 -7.199
280 QG GLU 28 QG GLU 28 7.802 -8.374 -6.687
281 H ILE 29 H ILE 29 8.774 -6.706 -2.900
282 HA ILE 29 HA ILE 29 10.490 -7.607 -1.438
283 HB ILE 29 HB ILE 29 12.436 -6.677 -3.610
284 1HG1 ILE 29 1HG1 ILE 29 11.072 -9.345 -3.087
285 2HG1 ILE 29 2HG1 ILE 29 11.301 -8.515 -4.620
286 1HG2 ILE 29 1HG2 ILE 29 12.706 -8.394 -1.095
287 2HG2 ILE 29 2HG2 ILE 29 13.995 -8.158 -2.273
288 3HG2 ILE 29 3HG2 ILE 29 13.386 -6.787 -1.344
289 1HD1 ILE 29 1HD1 ILE 29 13.847 -8.869 -4.164
290 2HD1 ILE 29 2HD1 ILE 29 13.304 -10.089 -3.015
291 3HD1 ILE 29 3HD1 ILE 29 12.892 -10.239 -4.723
292 MG ILE 29 MG ILE 29 13.362 -7.780 -1.571
293 MD ILE 29 MD ILE 29 13.347 -9.732 -3.967
294 QG ILE 29 QG ILE 29 11.187 -8.930 -3.853
295 H ASN 30 H ASN 30 9.235 -5.388 -0.842
296 HA ASN 30 HA ASN 30 9.281 -3.035 -0.594
297 1HB ASN 30 1HB ASN 30 11.051 -2.625 1.245
298 2HB ASN 30 2HB ASN 30 9.655 -3.653 1.567
299 2HD2 ASN 30 1HD2 ASN 30 12.845 -4.209 -0.049
300 1HD2 ASN 30 2HD2 ASN 30 13.217 -5.607 0.840
301 QB ASN 30 QB ASN 30 10.353 -3.139 1.406
302 QD ASN 30 QD ASN 30 13.031 -4.908 0.396
303 H LYS 31 H LYS 31 10.528 -3.505 -2.937
304 HA LYS 31 HA LYS 31 11.712 -1.827 -4.271
305 1HB LYS 31 2HB LYS 31 13.631 -0.607 -3.402
306 2HB LYS 31 1HB LYS 31 13.533 -1.491 -1.888
307 1HG LYS 31 1HG LYS 31 10.939 -0.483 -2.338
308 2HG LYS 31 2HG LYS 31 12.108 0.107 -1.156
309 1HD LYS 31 1HD LYS 31 13.092 1.583 -2.898
310 2HD LYS 31 2HD LYS 31 11.857 1.034 -4.031
311 1HE LYS 31 1HE LYS 31 10.130 1.816 -2.320
312 2HE LYS 31 2HE LYS 31 11.463 2.619 -1.487
313 1HZ LYS 31 1HZ LYS 31 11.974 3.713 -3.657
314 2HZ LYS 31 2HZ LYS 31 10.503 3.102 -4.249
315 3HZ LYS 31 3HZ LYS 31 10.506 4.191 -2.948
316 QB LYS 31 QB LYS 31 13.582 -1.049 -2.645
317 QD LYS 31 QD LYS 31 12.474 1.308 -3.465
318 QG LYS 31 QG LYS 31 11.523 -0.188 -1.747
319 QE LYS 31 QE LYS 31 10.796 2.218 -1.903
320 QZ LYS 31 QZ LYS 31 10.995 3.669 -3.618
321 H ARG 32 H ARG 32 12.122 -4.843 -4.033
322 HA ARG 32 HA ARG 32 14.870 -4.753 -5.179
323 1HB ARG 32 1HB ARG 32 14.304 -5.840 -2.643
324 2HB ARG 32 2HB ARG 32 14.504 -7.213 -3.728
325 1HG ARG 32 1HG ARG 32 16.585 -5.802 -4.583
326 2HG ARG 32 2HG ARG 32 16.480 -5.104 -2.966
327 1HD ARG 32 1HD ARG 32 17.198 -7.015 -1.965
328 2HD ARG 32 2HD ARG 32 16.234 -8.040 -3.028
329 HE ARG 32 HE ARG 32 18.213 -7.214 -4.713
330 1HH1 ARG 32 1HH1 ARG 32 19.998 -6.635 -2.427
331 2HH1 ARG 32 2HH1 ARG 32 20.768 -8.161 -2.144
332 1HH2 ARG 32 1HH2 ARG 32 18.433 -9.977 -3.950
333 2HH2 ARG 32 2HH2 ARG 32 19.881 -10.050 -3.004
334 QB ARG 32 QB ARG 32 14.404 -6.526 -3.186
335 QG ARG 32 QG ARG 32 16.532 -5.453 -3.774
336 QD ARG 32 QD ARG 32 16.716 -7.528 -2.496
337 QH1 ARG 32 QH1 ARG 32 20.383 -7.398 -2.286
338 QH2 ARG 32 QH2 ARG 32 19.157 -10.013 -3.477
339 H GLY 33 H GLY 33 13.852 -5.027 -7.255
340 1HA GLY 33 1HA GLY 33 12.142 -7.384 -7.685
341 2HA GLY 33 2HA GLY 33 12.603 -6.198 -8.906
342 QA GLY 33 QA GLY 33 12.373 -6.791 -8.295
343 H ARG 34 H ARG 34 13.421 -7.608 -10.465
344 HA ARG 34 HA ARG 34 16.011 -8.877 -9.780
345 1HB ARG 34 1HB ARG 34 13.727 -10.368 -11.108
346 2HB ARG 34 2HB ARG 34 15.361 -10.993 -10.880
347 1HG ARG 34 1HG ARG 34 15.119 -10.837 -8.453
348 2HG ARG 34 2HG ARG 34 13.520 -10.114 -8.637
349 1HD ARG 34 1HD ARG 34 13.470 -12.478 -10.174
350 2HD ARG 34 2HD ARG 34 14.256 -12.909 -8.655
351 HE ARG 34 HE ARG 34 12.209 -11.837 -7.540
352 1HH1 ARG 34 1HH1 ARG 34 11.715 -11.819 -10.831
353 2HH1 ARG 34 2HH1 ARG 34 10.233 -12.715 -10.806
354 1HH2 ARG 34 1HH2 ARG 34 10.489 -13.557 -7.452
355 2HH2 ARG 34 2HH2 ARG 34 9.538 -13.699 -8.894
356 QB ARG 34 QB ARG 34 14.544 -10.680 -10.994
357 QG ARG 34 QG ARG 34 14.320 -10.475 -8.545
358 QD ARG 34 QD ARG 34 13.863 -12.694 -9.415
359 QH1 ARG 34 QH1 ARG 34 10.974 -12.267 -10.818
360 QH2 ARG 34 QH2 ARG 34 10.013 -13.628 -8.173
No H/Q in entry = 360
Start of MODEL 11
1 H1 MET 1 H1 MET 1 -20.667 7.418 3.052
2 H2 MET 1 H2 MET 1 -22.253 7.866 2.651
3 H3 MET 1 H3 MET 1 -21.702 6.297 2.305
4 HA MET 1 HA MET 1 -20.809 6.902 0.379
5 1HB MET 1 1HB MET 1 -22.907 8.671 1.015
6 2HB MET 1 2HB MET 1 -21.631 9.678 0.327
7 1HG MET 1 1HG MET 1 -21.725 7.344 -1.263
8 2HG MET 1 2HG MET 1 -23.401 7.839 -1.019
9 1HE MET 1 1HE MET 1 -24.452 8.852 -2.326
10 2HE MET 1 2HE MET 1 -24.172 10.390 -3.139
11 3HE MET 1 3HE MET 1 -23.697 8.874 -3.917
12 QB MET 1 QB MET 1 -22.269 9.175 0.671
13 QG MET 1 QG MET 1 -22.563 7.592 -1.141
14 ME MET 1 ME MET 1 -24.107 9.372 -3.127
15 H SER 2 H SER 2 -20.203 9.272 2.927
16 HA SER 2 HA SER 2 -17.422 9.524 1.943
17 1HB SER 2 1HB SER 2 -19.454 11.633 1.768
18 2HB SER 2 2HB SER 2 -18.009 12.137 2.639
19 HG SER 2 HG SER 2 -18.321 11.943 0.048
20 QB SER 2 QB SER 2 -18.731 11.885 2.203
21 H TRP 3 H TRP 3 -17.867 8.094 4.104
22 HA TRP 3 HA TRP 3 -17.558 9.939 6.433
23 1HB TRP 3 1HB TRP 3 -19.230 7.707 6.075
24 2HB TRP 3 2HB TRP 3 -17.936 7.142 7.130
25 HD1 TRP 3 HD1 TRP 3 -18.224 7.671 9.594
26 HE1 TRP 3 HE1 TRP 3 -19.632 9.330 10.975
27 HE3 TRP 3 HE3 TRP 3 -20.379 10.355 5.821
28 HZ2 TRP 3 HZ2 TRP 3 -21.435 11.508 10.539
29 HZ3 TRP 3 HZ3 TRP 3 -21.937 12.213 6.332
30 HH2 TRP 3 HH2 TRP 3 -22.466 12.793 8.683
31 QB TRP 3 QB TRP 3 -18.583 7.425 6.603
32 H ALA 4 H ALA 4 -16.236 8.426 8.243
33 HA ALA 4 HA ALA 4 -13.982 7.947 8.785
34 1HB ALA 4 1HB ALA 4 -14.582 5.978 6.559
35 2HB ALA 4 3HB ALA 4 -14.883 5.738 8.280
36 3HB ALA 4 2HB ALA 4 -13.228 5.844 7.681
37 MB ALA 4 MB ALA 4 -14.231 5.853 7.507
38 H LEU 5 H LEU 5 -14.206 10.130 6.852
39 HA LEU 5 HA LEU 5 -12.759 10.067 4.530
40 1HB LEU 5 1HB LEU 5 -12.268 12.109 6.718
41 2HB LEU 5 2HB LEU 5 -11.967 12.332 5.000
42 HG LEU 5 HG LEU 5 -14.033 13.328 5.106
43 1HD1 LEU 5 1HD1 LEU 5 -14.172 11.062 3.806
44 2HD1 LEU 5 2HD1 LEU 5 -15.183 10.547 5.157
45 3HD1 LEU 5 3HD1 LEU 5 -15.662 11.930 4.173
46 1HD2 LEU 5 1HD2 LEU 5 -14.054 12.100 7.670
47 2HD2 LEU 5 2HD2 LEU 5 -15.101 13.392 7.081
48 3HD2 LEU 5 3HD2 LEU 5 -15.590 11.707 6.895
49 MD1 LEU 5 MD1 LEU 5 -15.006 11.180 4.379
50 MD2 LEU 5 MD2 LEU 5 -14.915 12.400 7.215
51 QB LEU 5 QB LEU 5 -12.117 12.220 5.859
52 QD LEU 5 QD LEU 5 -14.960 11.790 5.797
53 H GLU 6 H GLU 6 -11.296 10.100 7.790
54 HA GLU 6 HA GLU 6 -8.584 10.119 6.966
55 1HB GLU 6 1HB GLU 6 -9.542 10.327 9.342
56 2HB GLU 6 2HB GLU 6 -9.593 8.564 9.351
57 1HG GLU 6 1HG GLU 6 -7.225 8.400 9.052
58 2HG GLU 6 2HG GLU 6 -7.087 10.117 8.675
59 QB GLU 6 QB GLU 6 -9.568 9.446 9.347
60 QG GLU 6 QG GLU 6 -7.156 9.259 8.863
61 H MET 7 H MET 7 -10.390 7.224 8.064
62 HA MET 7 HA MET 7 -8.512 5.320 7.165
63 1HB MET 7 1HB MET 7 -10.918 5.202 8.459
64 2HB MET 7 2HB MET 7 -11.340 4.519 6.887
65 1HG MET 7 1HG MET 7 -9.155 3.115 7.193
66 2HG MET 7 2HG MET 7 -9.335 3.526 8.898
67 1HE MET 7 1HE MET 7 -9.780 1.049 6.457
68 2HE MET 7 2HE MET 7 -11.411 0.384 6.503
69 3HE MET 7 3HE MET 7 -11.127 1.950 5.747
70 QB MET 7 QB MET 7 -11.129 4.861 7.673
71 QG MET 7 QG MET 7 -9.245 3.321 8.045
72 ME MET 7 ME MET 7 -10.773 1.128 6.236
73 H ALA 8 H ALA 8 -11.610 5.991 5.495
74 HA ALA 8 HA ALA 8 -11.199 4.672 3.126
75 1HB ALA 8 3HB ALA 8 -13.178 5.718 2.846
76 2HB ALA 8 2HB ALA 8 -12.250 7.087 2.232
77 3HB ALA 8 1HB ALA 8 -12.721 7.031 3.931
78 MB ALA 8 MB ALA 8 -12.716 6.612 3.003
79 H ASP 9 H ASP 9 -9.600 7.660 4.108
80 HA ASP 9 HA ASP 9 -8.512 8.303 1.521
81 1HB ASP 9 1HB ASP 9 -8.640 9.762 3.672
82 2HB ASP 9 2HB ASP 9 -7.130 8.966 4.115
83 QB ASP 9 QB ASP 9 -7.885 9.364 3.893
84 H THR 10 H THR 10 -6.676 7.122 4.358
85 HA THR 10 HA THR 10 -4.363 6.325 3.038
86 HB THR 10 HB THR 10 -4.378 4.422 4.876
87 HG1 THR 10 HG1 THR 10 -6.144 4.390 5.975
88 1HG2 THR 10 1HG2 THR 10 -3.608 7.119 4.783
89 2HG2 THR 10 2HG2 THR 10 -4.450 6.936 6.322
90 3HG2 THR 10 3HG2 THR 10 -3.067 5.907 5.945
91 MG THR 10 MG THR 10 -3.709 6.654 5.683
92 H PHE 11 H PHE 11 -7.459 4.651 3.141
93 HA PHE 11 HA PHE 11 -6.454 2.172 2.031
94 1HB PHE 11 1HB PHE 11 -8.639 2.513 3.329
95 2HB PHE 11 2HB PHE 11 -9.298 3.180 1.835
96 HD1 PHE 11 HD1 PHE 11 -6.851 0.384 2.245
97 HD2 PHE 11 HD2 PHE 11 -10.837 1.531 1.124
98 HE1 PHE 11 HE1 PHE 11 -7.273 -1.907 1.400
99 HE2 PHE 11 HE2 PHE 11 -11.258 -0.763 0.281
100 HZ PHE 11 HZ PHE 11 -9.476 -2.482 0.419
101 QB PHE 11 QB PHE 11 -8.969 2.847 2.582
102 QD PHE 11 QD PHE 11 -8.844 0.957 1.684
103 QE PHE 11 QE PHE 11 -9.266 -1.335 0.841
104 QR PHE 11 QR PHE 11 -9.139 -0.648 1.094
105 H LEU 12 H LEU 12 -7.953 5.085 0.663
106 HA LEU 12 HA LEU 12 -8.125 4.095 -2.030
107 1HB LEU 12 1HB LEU 12 -8.870 6.430 -0.695
108 2HB LEU 12 2HB LEU 12 -7.641 6.968 -1.839
109 HG LEU 12 HG LEU 12 -9.133 5.225 -3.366
110 1HD1 LEU 12 1HD1 LEU 12 -10.721 5.896 -1.098
111 2HD1 LEU 12 2HD1 LEU 12 -11.386 6.762 -2.482
112 3HD1 LEU 12 3HD1 LEU 12 -11.213 5.009 -2.541
113 1HD2 LEU 12 1HD2 LEU 12 -8.812 8.136 -3.052
114 2HD2 LEU 12 2HD2 LEU 12 -8.755 7.152 -4.513
115 3HD2 LEU 12 3HD2 LEU 12 -10.309 7.667 -3.858
116 MD1 LEU 12 MD1 LEU 12 -11.107 5.889 -2.040
117 MD2 LEU 12 MD2 LEU 12 -9.292 7.652 -3.808
118 QB LEU 12 QB LEU 12 -8.256 6.699 -1.267
119 QD LEU 12 QD LEU 12 -10.199 6.770 -2.924
120 H ASP 13 H ASP 13 -5.556 5.595 -0.154
121 HA ASP 13 HA ASP 13 -3.819 6.194 -2.371
122 1HB ASP 13 1HB ASP 13 -3.764 6.723 0.316
123 2HB ASP 13 2HB ASP 13 -2.531 5.467 0.185
124 QB ASP 13 QB ASP 13 -3.147 6.095 0.250
125 H ASN 14 H ASN 14 -4.016 3.397 -0.152
126 HA ASN 14 HA ASN 14 -2.334 1.894 -2.120
127 1HB ASN 14 1HB ASN 14 -2.416 1.879 0.880
128 2HB ASN 14 2HB ASN 14 -1.969 0.400 0.029
129 2HD2 ASN 14 1HD2 ASN 14 0.162 1.113 1.322
130 1HD2 ASN 14 2HD2 ASN 14 1.256 2.054 0.428
131 QB ASN 14 QB ASN 14 -2.192 1.139 0.454
132 QD ASN 14 QD ASN 14 0.709 1.584 0.875
133 H MET 15 H MET 15 -5.255 2.190 -2.194
134 HA MET 15 HA MET 15 -6.741 0.113 -1.099
135 1HB MET 15 1HB MET 15 -6.941 1.797 -3.466
136 2HB MET 15 2HB MET 15 -7.631 0.195 -3.732
137 1HG MET 15 1HG MET 15 -8.778 0.563 -1.420
138 2HG MET 15 2HG MET 15 -8.416 2.268 -1.695
139 1HE MET 15 1HE MET 15 -10.604 -0.139 -1.575
140 2HE MET 15 2HE MET 15 -12.018 0.374 -2.505
141 3HE MET 15 3HE MET 15 -10.887 -0.792 -3.186
142 QB MET 15 QB MET 15 -7.286 0.996 -3.599
143 QG MET 15 QG MET 15 -8.597 1.416 -1.558
144 ME MET 15 ME MET 15 -11.170 -0.185 -2.422
145 H ARG 16 H ARG 16 -6.001 -0.277 -4.459
146 HA ARG 16 HA ARG 16 -5.548 -2.274 -5.646
147 1HB ARG 16 1HB ARG 16 -3.345 -1.587 -3.834
148 2HB ARG 16 2HB ARG 16 -3.352 -3.288 -4.301
149 1HG ARG 16 2HG ARG 16 -3.834 -2.222 -6.711
150 2HG ARG 16 1HG ARG 16 -2.192 -2.435 -6.102
151 1HD ARG 16 2HD ARG 16 -3.790 0.096 -5.642
152 2HD ARG 16 1HD ARG 16 -2.742 -0.122 -7.043
153 HE ARG 16 HE ARG 16 -1.653 -0.371 -4.271
154 1HH1 ARG 16 1HH1 ARG 16 -0.875 -0.107 -7.511
155 2HH1 ARG 16 2HH1 ARG 16 0.279 1.171 -7.319
156 1HH2 ARG 16 1HH2 ARG 16 -0.500 1.734 -3.988
157 2HH2 ARG 16 2HH2 ARG 16 0.492 2.212 -5.325
158 QB ARG 16 QB ARG 16 -3.348 -2.437 -4.068
159 QG ARG 16 QG ARG 16 -3.013 -2.328 -6.407
160 QD ARG 16 QD ARG 16 -3.266 -0.013 -6.343
161 QH1 ARG 16 QH1 ARG 16 -0.298 0.532 -7.415
162 QH2 ARG 16 QH2 ARG 16 -0.004 1.973 -4.657
163 H VAL 17 H VAL 17 -7.626 -2.809 -3.956
164 HA VAL 17 HA VAL 17 -8.627 -4.459 -2.588
165 HB VAL 17 HB VAL 17 -8.565 -5.538 -4.785
166 1HG1 VAL 17 1HG1 VAL 17 -5.794 -6.391 -3.905
167 2HG1 VAL 17 2HG1 VAL 17 -6.645 -7.105 -5.275
168 3HG1 VAL 17 3HG1 VAL 17 -6.211 -5.396 -5.300
169 1HG2 VAL 17 1HG2 VAL 17 -9.141 -6.796 -2.561
170 2HG2 VAL 17 2HG2 VAL 17 -8.929 -7.734 -4.040
171 3HG2 VAL 17 3HG2 VAL 17 -7.627 -7.651 -2.855
172 MG1 VAL 17 MG1 VAL 17 -6.217 -6.297 -4.827
173 MG2 VAL 17 MG2 VAL 17 -8.566 -7.394 -3.152
174 QG VAL 17 QG VAL 17 -7.391 -6.845 -3.989
175 H GLY 18 H GLY 18 -6.851 -3.475 -0.941
176 1HA GLY 18 1HA GLY 18 -5.843 -5.800 0.510
177 2HA GLY 18 2HA GLY 18 -4.560 -4.765 -0.121
178 QA GLY 18 QA GLY 18 -5.201 -5.282 0.195
179 1HB PRO 19 1HB PRO 19 -8.386 -3.961 4.990
180 2HB PRO 19 2HB PRO 19 -9.139 -3.297 3.530
181 1HG PRO 19 2HG PRO 19 -9.479 -5.511 2.962
182 2HG PRO 19 1HG PRO 19 -8.216 -6.083 4.064
183 1HD PRO 19 1HD PRO 19 -6.860 -6.297 2.221
184 2HD PRO 19 2HD PRO 19 -8.020 -5.424 1.196
185 QB PRO 19 QB PRO 19 -8.762 -3.629 4.260
186 QG PRO 19 QG PRO 19 -8.847 -5.797 3.513
187 QD PRO 19 QD PRO 19 -7.440 -5.861 1.709
188 H ARG 20 H ARG 20 -7.099 -2.850 5.947
189 HA ARG 20 HA ARG 20 -5.651 -3.067 7.778
190 1HB ARG 20 1HB ARG 20 -4.642 -5.320 6.020
191 2HB ARG 20 2HB ARG 20 -4.058 -5.035 7.660
192 1HG ARG 20 1HG ARG 20 -6.164 -5.498 8.622
193 2HG ARG 20 2HG ARG 20 -7.006 -5.298 7.085
194 1HD ARG 20 2HD ARG 20 -5.280 -7.307 6.450
195 2HD ARG 20 1HD ARG 20 -6.924 -7.577 7.030
196 HE ARG 20 HE ARG 20 -5.558 -7.444 9.375
197 1HH1 ARG 20 1HH1 ARG 20 -3.317 -8.180 7.236
198 2HH1 ARG 20 2HH1 ARG 20 -3.163 -9.869 7.588
199 1HH2 ARG 20 1HH2 ARG 20 -6.067 -10.012 9.477
200 2HH2 ARG 20 2HH2 ARG 20 -4.720 -10.906 8.858
201 QB ARG 20 QB ARG 20 -4.350 -5.177 6.840
202 QG ARG 20 QG ARG 20 -6.585 -5.398 7.854
203 QD ARG 20 QD ARG 20 -6.102 -7.442 6.740
204 QH1 ARG 20 QH1 ARG 20 -3.240 -9.024 7.412
205 QH2 ARG 20 QH2 ARG 20 -5.393 -10.459 9.168
206 H THR 21 H THR 21 -3.102 -4.218 5.674
207 HA THR 21 HA THR 21 -1.063 -3.233 5.065
208 HB THR 21 HB THR 21 -2.028 -0.460 5.159
209 HG1 THR 21 HG1 THR 21 -3.496 -0.939 3.371
210 1HG2 THR 21 1HG2 THR 21 -0.171 -1.907 3.756
211 2HG2 THR 21 2HG2 THR 21 -1.489 -1.797 2.589
212 3HG2 THR 21 3HG2 THR 21 -0.784 -0.328 3.264
213 MG THR 21 MG THR 21 -0.815 -1.344 3.203
214 H TYR 22 H TYR 22 0.028 -0.739 5.787
215 HA TYR 22 HA TYR 22 -0.163 0.192 8.391
216 1HB TYR 22 1HB TYR 22 0.672 -2.572 8.371
217 2HB TYR 22 2HB TYR 22 1.961 -1.565 9.028
218 HD1 TYR 22 HD1 TYR 22 0.966 0.440 10.603
219 HD2 TYR 22 HD2 TYR 22 -0.848 -3.392 9.921
220 HE1 TYR 22 HE1 TYR 22 -0.283 0.653 12.736
221 HE2 TYR 22 HE2 TYR 22 -2.097 -3.181 12.052
222 HH TYR 22 HH TYR 22 -2.246 -0.220 13.811
223 QB TYR 22 QB TYR 22 1.316 -2.069 8.700
224 QD TYR 22 QD TYR 22 0.059 -1.476 10.262
225 QE TYR 22 QE TYR 22 -1.190 -1.264 12.394
226 QR TYR 22 QR TYR 22 -0.566 -1.370 11.328
227 H ALA 23 H ALA 23 2.328 -1.164 6.200
228 HA ALA 23 HA ALA 23 4.535 0.302 6.892
229 1HB ALA 23 1HB ALA 23 3.503 -0.756 4.365
230 2HB ALA 23 2HB ALA 23 4.596 0.613 4.156
231 3HB ALA 23 3HB ALA 23 5.138 -0.824 5.025
232 MB ALA 23 MB ALA 23 4.412 -0.322 4.515
233 H ASP 24 H ASP 24 1.755 1.525 5.188
234 HA ASP 24 HA ASP 24 2.866 4.175 4.763
235 1HB ASP 24 1HB ASP 24 0.461 4.753 4.186
236 2HB ASP 24 2HB ASP 24 1.176 3.461 3.221
237 QB ASP 24 QB ASP 24 0.819 4.107 3.704
238 H VAL 25 H VAL 25 0.221 2.988 6.911
239 HA VAL 25 HA VAL 25 -0.276 5.340 8.313
240 HB VAL 25 HB VAL 25 -0.034 2.575 9.543
241 1HG1 VAL 25 1HG1 VAL 25 -0.263 4.830 10.940
242 2HG1 VAL 25 2HG1 VAL 25 -1.952 4.681 10.457
243 3HG1 VAL 25 3HG1 VAL 25 -1.182 3.391 11.382
244 1HG2 VAL 25 1HG2 VAL 25 -1.634 3.237 7.448
245 2HG2 VAL 25 2HG2 VAL 25 -2.094 2.061 8.680
246 3HG2 VAL 25 3HG2 VAL 25 -2.666 3.726 8.793
247 MG1 VAL 25 MG1 VAL 25 -1.133 4.301 10.926
248 MG2 VAL 25 MG2 VAL 25 -2.131 3.008 8.307
249 QG VAL 25 QG VAL 25 -1.632 3.654 9.617
250 H ARG 26 H ARG 26 2.141 2.884 9.222
251 HA ARG 26 HA ARG 26 3.396 4.400 11.296
252 1HB ARG 26 2HB ARG 26 5.195 2.827 11.120
253 2HB ARG 26 1HB ARG 26 4.869 2.518 9.415
254 1HG ARG 26 1HG ARG 26 2.829 1.346 9.948
255 2HG ARG 26 2HG ARG 26 4.089 0.699 10.997
256 1HD ARG 26 1HD ARG 26 2.004 2.768 11.744
257 2HD ARG 26 2HD ARG 26 2.109 1.111 12.341
258 HE ARG 26 HE ARG 26 3.920 3.337 13.100
259 1HH1 ARG 26 1HH1 ARG 26 5.430 0.759 12.893
260 2HH1 ARG 26 2HH1 ARG 26 5.256 0.107 14.489
261 1HH2 ARG 26 1HH2 ARG 26 2.616 2.189 15.340
262 2HH2 ARG 26 2HH2 ARG 26 3.663 0.916 15.873
263 QB ARG 26 QB ARG 26 5.032 2.673 10.267
264 QG ARG 26 QG ARG 26 3.459 1.022 10.473
265 QD ARG 26 QD ARG 26 2.056 1.939 12.043
266 QH1 ARG 26 QH1 ARG 26 5.343 0.433 13.691
267 QH2 ARG 26 QH2 ARG 26 3.140 1.552 15.606
268 H ASP 27 H ASP 27 4.592 4.105 7.859
269 HA ASP 27 HA ASP 27 6.645 6.011 7.926
270 1HB ASP 27 1HB ASP 27 4.636 5.218 5.869
271 2HB ASP 27 2HB ASP 27 5.344 6.817 5.638
272 QB ASP 27 QB ASP 27 4.990 6.017 5.754
273 H GLU 28 H GLU 28 3.231 6.566 8.358
274 HA GLU 28 HA GLU 28 3.303 9.377 8.238
275 1HB GLU 28 1HB GLU 28 1.231 7.741 8.476
276 2HB GLU 28 2HB GLU 28 1.560 7.926 10.199
277 1HG GLU 28 1HG GLU 28 1.204 10.278 10.121
278 2HG GLU 28 2HG GLU 28 1.267 10.304 8.358
279 QB GLU 28 QB GLU 28 1.396 7.834 9.337
280 QG GLU 28 QG GLU 28 1.235 10.291 9.240
281 H ILE 29 H ILE 29 5.218 9.848 9.162
282 HA ILE 29 HA ILE 29 6.449 10.718 11.074
283 HB ILE 29 HB ILE 29 5.027 8.484 12.607
284 1HG1 ILE 29 1HG1 ILE 29 4.371 11.405 12.145
285 2HG1 ILE 29 2HG1 ILE 29 3.282 10.022 12.203
286 1HG2 ILE 29 1HG2 ILE 29 7.243 9.179 13.488
287 2HG2 ILE 29 2HG2 ILE 29 6.715 10.862 13.514
288 3HG2 ILE 29 3HG2 ILE 29 5.951 9.680 14.577
289 1HD1 ILE 29 1HD1 ILE 29 4.333 10.016 14.746
290 2HD1 ILE 29 2HD1 ILE 29 4.251 11.741 14.389
291 3HD1 ILE 29 3HD1 ILE 29 2.793 10.751 14.298
292 MG ILE 29 MG ILE 29 6.636 9.907 13.860
293 MD ILE 29 MD ILE 29 3.792 10.836 14.478
294 QG ILE 29 QG ILE 29 3.827 10.714 12.174
295 H ASN 30 H ASN 30 7.652 9.395 9.166
296 HA ASN 30 HA ASN 30 8.720 7.407 8.442
297 1HB ASN 30 1HB ASN 30 10.721 7.330 10.320
298 2HB ASN 30 2HB ASN 30 10.700 8.286 8.841
299 2HD2 ASN 30 1HD2 ASN 30 11.317 8.641 12.064
300 1HD2 ASN 30 2HD2 ASN 30 10.831 10.252 12.284
301 QB ASN 30 QB ASN 30 10.710 7.808 9.581
302 QD ASN 30 QD ASN 30 11.074 9.447 12.174
303 H LYS 31 H LYS 31 6.586 6.474 9.741
304 HA LYS 31 HA LYS 31 6.185 4.156 10.370
305 1HB LYS 31 2HB LYS 31 7.688 2.893 11.769
306 2HB LYS 31 1HB LYS 31 8.695 4.311 12.027
307 1HG LYS 31 1HG LYS 31 8.279 3.898 9.194
308 2HG LYS 31 2HG LYS 31 9.798 3.911 10.093
309 1HD LYS 31 1HD LYS 31 8.695 1.495 10.836
310 2HD LYS 31 2HD LYS 31 8.207 1.628 9.147
311 1HE LYS 31 1HE LYS 31 10.278 0.924 8.601
312 2HE LYS 31 2HE LYS 31 10.869 2.484 9.170
313 1HZ LYS 31 1HZ LYS 31 10.368 0.738 11.347
314 2HZ LYS 31 2HZ LYS 31 11.427 0.008 10.240
315 3HZ LYS 31 3HZ LYS 31 11.810 1.521 10.910
316 QB LYS 31 QB LYS 31 8.192 3.602 11.898
317 QD LYS 31 QD LYS 31 8.451 1.561 9.992
318 QG LYS 31 QG LYS 31 9.038 3.905 9.643
319 QE LYS 31 QE LYS 31 10.574 1.704 8.885
320 QZ LYS 31 QZ LYS 31 11.202 0.756 10.833
321 H ARG 32 H ARG 32 5.362 6.817 11.739
322 HA ARG 32 HA ARG 32 4.535 5.452 14.245
323 1HB ARG 32 1HB ARG 32 6.499 7.568 14.113
324 2HB ARG 32 2HB ARG 32 5.085 8.098 15.026
325 1HG ARG 32 2HG ARG 32 5.532 5.470 15.882
326 2HG ARG 32 1HG ARG 32 5.908 6.942 16.779
327 1HD ARG 32 1HD ARG 32 7.931 6.397 14.761
328 2HD ARG 32 2HD ARG 32 8.126 6.627 16.498
329 HE ARG 32 HE ARG 32 7.582 4.007 15.178
330 1HH1 ARG 32 1HH1 ARG 32 7.343 5.483 18.176
331 2HH1 ARG 32 2HH1 ARG 32 8.363 4.360 19.010
332 1HH2 ARG 32 1HH2 ARG 32 9.393 2.741 16.123
333 2HH2 ARG 32 2HH2 ARG 32 9.524 2.808 17.849
334 QB ARG 32 QB ARG 32 5.792 7.833 14.570
335 QG ARG 32 QG ARG 32 5.720 6.206 16.331
336 QD ARG 32 QD ARG 32 8.028 6.512 15.629
337 QH1 ARG 32 QH1 ARG 32 7.853 4.922 18.593
338 QH2 ARG 32 QH2 ARG 32 9.459 2.774 16.986
339 H GLY 33 H GLY 33 2.560 5.506 12.761
340 1HA GLY 33 1HA GLY 33 1.247 8.186 12.787
341 2HA GLY 33 2HA GLY 33 0.769 6.840 11.752
342 QA GLY 33 QA GLY 33 1.008 7.513 12.269
343 H ARG 34 H ARG 34 -1.273 6.299 12.398
344 HA ARG 34 HA ARG 34 -1.748 4.970 14.862
345 1HB ARG 34 2HB ARG 34 -1.499 7.224 15.847
346 2HB ARG 34 1HB ARG 34 -3.152 6.631 16.027
347 1HG ARG 34 1HG ARG 34 -2.313 8.354 13.688
348 2HG ARG 34 2HG ARG 34 -3.946 8.019 14.264
349 1HD ARG 34 1HD ARG 34 -3.341 10.250 14.987
350 2HD ARG 34 2HD ARG 34 -3.362 9.200 16.404
351 HE ARG 34 HE ARG 34 -0.861 9.121 16.226
352 1HH1 ARG 34 1HH1 ARG 34 -1.556 10.678 13.456
353 2HH1 ARG 34 2HH1 ARG 34 -0.710 12.148 13.803
354 1HH2 ARG 34 1HH2 ARG 34 -0.228 11.395 17.152
355 2HH2 ARG 34 2HH2 ARG 34 0.040 12.555 15.894
356 QB ARG 34 QB ARG 34 -2.325 6.927 15.937
357 QG ARG 34 QG ARG 34 -3.129 8.187 13.976
358 QD ARG 34 QD ARG 34 -3.352 9.725 15.696
359 QH1 ARG 34 QH1 ARG 34 -1.133 11.413 13.630
360 QH2 ARG 34 QH2 ARG 34 -0.094 11.975 16.523
No H/Q in entry = 360
Start of MODEL 12
1 H1 MET 1 H1 MET 1 -15.261 13.909 6.213
2 H2 MET 1 H2 MET 1 -16.813 14.533 5.927
3 H3 MET 1 H3 MET 1 -15.441 15.420 5.457
4 HA MET 1 HA MET 1 -14.998 16.159 7.539
5 1HB MET 1 2HB MET 1 -17.034 16.856 8.565
6 2HB MET 1 1HB MET 1 -17.907 15.448 7.958
7 1HG MET 1 1HG MET 1 -16.870 17.814 6.379
8 2HG MET 1 2HG MET 1 -17.397 16.317 5.611
9 1HE MET 1 1HE MET 1 -17.916 18.899 8.025
10 2HE MET 1 2HE MET 1 -19.278 19.777 7.334
11 3HE MET 1 3HE MET 1 -19.546 18.659 8.669
12 QB MET 1 QB MET 1 -17.471 16.152 8.262
13 QG MET 1 QG MET 1 -17.133 17.065 5.995
14 ME MET 1 ME MET 1 -18.913 19.112 8.009
15 H SER 2 H SER 2 -17.312 13.488 8.152
16 HA SER 2 HA SER 2 -15.336 12.257 9.977
17 1HB SER 2 1HB SER 2 -17.473 12.041 11.590
18 2HB SER 2 2HB SER 2 -16.348 13.391 11.702
19 HG SER 2 HG SER 2 -18.890 13.551 11.276
20 QB SER 2 QB SER 2 -16.910 12.716 11.646
21 H TRP 3 H TRP 3 -17.074 11.785 7.415
22 HA TRP 3 HA TRP 3 -18.572 9.368 8.214
23 1HB TRP 3 1HB TRP 3 -18.107 10.647 5.501
24 2HB TRP 3 2HB TRP 3 -19.159 9.262 5.798
25 HD1 TRP 3 HD1 TRP 3 -18.981 13.012 6.135
26 HE1 TRP 3 HE1 TRP 3 -21.246 13.907 6.980
27 HE3 TRP 3 HE3 TRP 3 -21.273 8.611 7.340
28 HZ2 TRP 3 HZ2 TRP 3 -23.705 12.890 8.028
29 HZ3 TRP 3 HZ3 TRP 3 -23.574 8.602 8.258
30 HH2 TRP 3 HH2 TRP 3 -24.792 10.734 8.604
31 QB TRP 3 QB TRP 3 -18.633 9.954 5.649
32 H ALA 4 H ALA 4 -15.940 8.935 8.856
33 HA ALA 4 HA ALA 4 -14.205 7.392 8.502
34 1HB ALA 4 2HB ALA 4 -15.429 6.112 6.150
35 2HB ALA 4 1HB ALA 4 -16.487 6.171 7.561
36 3HB ALA 4 3HB ALA 4 -14.905 5.398 7.674
37 MB ALA 4 MB ALA 4 -15.607 5.894 7.128
38 H LEU 5 H LEU 5 -14.275 9.973 7.043
39 HA LEU 5 HA LEU 5 -13.245 9.423 4.362
40 1HB LEU 5 1HB LEU 5 -14.097 11.737 5.882
41 2HB LEU 5 2HB LEU 5 -12.541 12.046 5.113
42 HG LEU 5 HG LEU 5 -14.954 10.920 3.665
43 1HD1 LEU 5 1HD1 LEU 5 -13.869 13.740 3.876
44 2HD1 LEU 5 2HD1 LEU 5 -14.985 13.228 2.610
45 3HD1 LEU 5 3HD1 LEU 5 -15.487 13.180 4.300
46 1HD2 LEU 5 1HD2 LEU 5 -12.571 10.450 2.828
47 2HD2 LEU 5 2HD2 LEU 5 -13.665 11.219 1.679
48 3HD2 LEU 5 3HD2 LEU 5 -12.453 12.183 2.522
49 MD1 LEU 5 MD1 LEU 5 -14.780 13.383 3.595
50 MD2 LEU 5 MD2 LEU 5 -12.896 11.284 2.343
51 QB LEU 5 QB LEU 5 -13.319 11.892 5.497
52 QD LEU 5 QD LEU 5 -13.838 12.333 2.969
53 H GLU 6 H GLU 6 -11.827 10.740 7.375
54 HA GLU 6 HA GLU 6 -9.153 10.885 6.461
55 1HB GLU 6 1HB GLU 6 -10.363 10.476 9.195
56 2HB GLU 6 2HB GLU 6 -8.615 10.538 8.968
57 1HG GLU 6 1HG GLU 6 -8.656 12.765 8.241
58 2HG GLU 6 2HG GLU 6 -10.362 12.689 7.798
59 QB GLU 6 QB GLU 6 -9.489 10.507 9.081
60 QG GLU 6 QG GLU 6 -9.509 12.727 8.019
61 H MET 7 H MET 7 -10.978 8.140 7.759
62 HA MET 7 HA MET 7 -8.629 6.410 7.854
63 1HB MET 7 2HB MET 7 -10.126 4.692 8.547
64 2HB MET 7 1HB MET 7 -11.516 5.514 7.838
65 1HG MET 7 1HG MET 7 -9.878 6.784 10.037
66 2HG MET 7 2HG MET 7 -11.513 7.191 9.517
67 1HE MET 7 1HE MET 7 -13.521 6.232 10.118
68 2HE MET 7 2HE MET 7 -13.226 4.687 9.328
69 3HE MET 7 3HE MET 7 -13.830 4.721 10.982
70 QB MET 7 QB MET 7 -10.821 5.103 8.193
71 QG MET 7 QG MET 7 -10.696 6.987 9.777
72 ME MET 7 ME MET 7 -13.525 5.213 10.143
73 H ALA 8 H ALA 8 -11.575 6.447 5.806
74 HA ALA 8 HA ALA 8 -10.883 4.439 4.004
75 1HB ALA 8 3HB ALA 8 -13.026 5.514 3.806
76 2HB ALA 8 2HB ALA 8 -12.171 5.792 2.289
77 3HB ALA 8 1HB ALA 8 -12.276 7.079 3.490
78 MB ALA 8 MB ALA 8 -12.491 6.128 3.195
79 H ASP 9 H ASP 9 -9.642 7.748 4.145
80 HA ASP 9 HA ASP 9 -8.375 7.997 1.678
81 1HB ASP 9 1HB ASP 9 -8.261 9.349 4.089
82 2HB ASP 9 2HB ASP 9 -6.613 8.751 3.900
83 QB ASP 9 QB ASP 9 -7.437 9.050 3.995
84 H THR 10 H THR 10 -7.059 6.354 4.573
85 HA THR 10 HA THR 10 -4.592 5.524 3.579
86 HB THR 10 HB THR 10 -6.373 3.636 5.123
87 HG1 THR 10 HG1 THR 10 -5.965 4.816 6.924
88 1HG2 THR 10 1HG2 THR 10 -3.408 4.261 5.190
89 2HG2 THR 10 2HG2 THR 10 -4.222 3.085 6.221
90 3HG2 THR 10 3HG2 THR 10 -4.147 2.827 4.477
91 MG THR 10 MG THR 10 -3.926 3.391 5.296
92 H PHE 11 H PHE 11 -7.709 3.806 3.184
93 HA PHE 11 HA PHE 11 -6.697 1.688 1.578
94 1HB PHE 11 2HB PHE 11 -9.008 1.334 0.884
95 2HB PHE 11 1HB PHE 11 -9.446 2.960 1.404
96 HD1 PHE 11 HD1 PHE 11 -7.231 0.465 3.092
97 HD2 PHE 11 HD2 PHE 11 -10.944 2.622 3.194
98 HE1 PHE 11 HE1 PHE 11 -7.660 -0.378 5.384
99 HE2 PHE 11 HE2 PHE 11 -11.373 1.778 5.485
100 HZ PHE 11 HZ PHE 11 -9.731 0.277 6.581
101 QB PHE 11 QB PHE 11 -9.227 2.147 1.144
102 QD PHE 11 QD PHE 11 -9.088 1.544 3.143
103 QE PHE 11 QE PHE 11 -9.517 0.700 5.435
104 QR PHE 11 QR PHE 11 -9.388 0.953 4.747
105 H LEU 12 H LEU 12 -8.217 4.769 0.575
106 HA LEU 12 HA LEU 12 -7.884 4.374 -2.221
107 1HB LEU 12 1HB LEU 12 -8.178 6.826 -0.494
108 2HB LEU 12 2HB LEU 12 -7.930 6.969 -2.235
109 HG LEU 12 HG LEU 12 -10.081 5.197 -1.068
110 1HD1 LEU 12 1HD1 LEU 12 -10.149 8.143 -1.737
111 2HD1 LEU 12 2HD1 LEU 12 -11.607 7.151 -1.746
112 3HD1 LEU 12 3HD1 LEU 12 -10.684 7.348 -0.255
113 1HD2 LEU 12 1HD2 LEU 12 -9.142 5.122 -3.525
114 2HD2 LEU 12 2HD2 LEU 12 -10.885 5.077 -3.261
115 3HD2 LEU 12 3HD2 LEU 12 -10.103 6.585 -3.735
116 MD1 LEU 12 MD1 LEU 12 -10.813 7.547 -1.246
117 MD2 LEU 12 MD2 LEU 12 -10.043 5.595 -3.507
118 QB LEU 12 QB LEU 12 -8.054 6.898 -1.365
119 QD LEU 12 QD LEU 12 -10.428 6.571 -2.377
120 H ASP 13 H ASP 13 -5.538 4.917 0.193
121 HA ASP 13 HA ASP 13 -3.616 6.439 -1.305
122 1HB ASP 13 1HB ASP 13 -3.522 5.984 1.179
123 2HB ASP 13 2HB ASP 13 -3.035 4.332 0.798
124 QB ASP 13 QB ASP 13 -3.278 5.158 0.989
125 H ASN 14 H ASN 14 -3.623 2.936 -0.598
126 HA ASN 14 HA ASN 14 -2.241 2.526 -3.218
127 1HB ASN 14 1HB ASN 14 -1.433 0.375 -2.199
128 2HB ASN 14 2HB ASN 14 -0.841 1.814 -1.369
129 2HD2 ASN 14 1HD2 ASN 14 -2.514 -1.146 -0.913
130 1HD2 ASN 14 2HD2 ASN 14 -3.077 -0.852 0.661
131 QB ASN 14 QB ASN 14 -1.137 1.095 -1.784
132 QD ASN 14 QD ASN 14 -2.795 -0.999 -0.126
133 H MET 15 H MET 15 -4.709 1.179 -1.024
134 HA MET 15 HA MET 15 -6.403 -0.392 -1.435
135 1HB MET 15 2HB MET 15 -7.181 1.778 -2.515
136 2HB MET 15 1HB MET 15 -7.937 0.310 -3.124
137 1HG MET 15 1HG MET 15 -6.061 2.178 -4.477
138 2HG MET 15 2HG MET 15 -5.840 0.465 -4.827
139 1HE MET 15 1HE MET 15 -6.801 3.303 -5.986
140 2HE MET 15 2HE MET 15 -6.961 2.353 -7.462
141 3HE MET 15 3HE MET 15 -8.344 3.260 -6.836
142 QB MET 15 QB MET 15 -7.559 1.044 -2.819
143 QG MET 15 QG MET 15 -5.951 1.322 -4.652
144 ME MET 15 ME MET 15 -7.369 2.972 -6.761
145 H ARG 16 H ARG 16 -3.653 -1.085 -2.510
146 HA ARG 16 HA ARG 16 -4.389 -2.729 -4.867
147 1HB ARG 16 1HB ARG 16 -2.021 -1.438 -4.082
148 2HB ARG 16 2HB ARG 16 -1.699 -3.157 -3.848
149 1HG ARG 16 1HG ARG 16 -2.272 -3.663 -6.123
150 2HG ARG 16 2HG ARG 16 -2.923 -2.045 -6.383
151 1HD ARG 16 1HD ARG 16 -0.589 -2.450 -7.321
152 2HD ARG 16 2HD ARG 16 -0.749 -1.051 -6.259
153 HE ARG 16 HE ARG 16 0.004 -3.355 -4.719
154 1HH1 ARG 16 1HH1 ARG 16 1.089 -0.371 -5.399
155 2HH1 ARG 16 2HH1 ARG 16 2.763 -0.773 -5.593
156 1HH2 ARG 16 1HH2 ARG 16 2.206 -4.195 -5.672
157 2HH2 ARG 16 2HH2 ARG 16 3.396 -2.937 -5.749
158 QB ARG 16 QB ARG 16 -1.860 -2.298 -3.965
159 QG ARG 16 QG ARG 16 -2.597 -2.854 -6.253
160 QD ARG 16 QD ARG 16 -0.669 -1.750 -6.790
161 QH1 ARG 16 QH1 ARG 16 1.926 -0.572 -5.496
162 QH2 ARG 16 QH2 ARG 16 2.801 -3.566 -5.711
163 H VAL 17 H VAL 17 -5.228 -3.106 -1.945
164 HA VAL 17 HA VAL 17 -4.965 -6.006 -1.932
165 HB VAL 17 HB VAL 17 -3.603 -4.327 0.180
166 1HG1 VAL 17 1HG1 VAL 17 -5.041 -6.748 0.518
167 2HG1 VAL 17 2HG1 VAL 17 -3.329 -7.168 0.564
168 3HG1 VAL 17 3HG1 VAL 17 -3.972 -5.963 1.680
169 1HG2 VAL 17 1HG2 VAL 17 -2.729 -6.292 -1.924
170 2HG2 VAL 17 2HG2 VAL 17 -2.040 -4.720 -1.521
171 3HG2 VAL 17 3HG2 VAL 17 -1.771 -6.099 -0.456
172 MG1 VAL 17 MG1 VAL 17 -4.114 -6.626 0.921
173 MG2 VAL 17 MG2 VAL 17 -2.180 -5.704 -1.300
174 QG VAL 17 QG VAL 17 -3.147 -6.165 -0.190
175 H GLY 18 H GLY 18 -5.508 -3.477 0.476
176 1HA GLY 18 1HA GLY 18 -7.716 -4.754 1.737
177 2HA GLY 18 2HA GLY 18 -7.366 -3.030 1.839
178 QA GLY 18 QA GLY 18 -7.541 -3.892 1.788
179 1HB PRO 19 1HB PRO 19 -12.425 -5.735 -0.828
180 2HB PRO 19 2HB PRO 19 -10.991 -6.196 -1.761
181 1HG PRO 19 2HG PRO 19 -10.498 -7.524 0.064
182 2HG PRO 19 1HG PRO 19 -11.548 -6.590 1.142
183 1HD PRO 19 1HD PRO 19 -9.642 -5.586 1.942
184 2HD PRO 19 2HD PRO 19 -8.658 -6.287 0.641
185 QB PRO 19 QB PRO 19 -11.708 -5.965 -1.294
186 QG PRO 19 QG PRO 19 -11.023 -7.057 0.603
187 QD PRO 19 QD PRO 19 -9.150 -5.936 1.291
188 H ARG 20 H ARG 20 -12.527 -2.783 -1.801
189 HA ARG 20 HA ARG 20 -13.152 -1.097 0.429
190 1HB ARG 20 1HB ARG 20 -13.590 -0.686 -2.082
191 2HB ARG 20 2HB ARG 20 -15.042 -1.660 -1.856
192 1HG ARG 20 2HG ARG 20 -15.108 0.100 0.292
193 2HG ARG 20 1HG ARG 20 -16.052 0.247 -1.190
194 1HD ARG 20 1HD ARG 20 -13.828 1.354 -2.110
195 2HD ARG 20 2HD ARG 20 -14.971 2.306 -1.162
196 HE ARG 20 HE ARG 20 -13.452 2.207 0.705
197 1HH1 ARG 20 1HH1 ARG 20 -11.911 0.321 1.434
198 2HH1 ARG 20 2HH1 ARG 20 -10.497 0.223 0.438
199 1HH2 ARG 20 1HH2 ARG 20 -11.839 2.155 -2.110
200 2HH2 ARG 20 2HH2 ARG 20 -10.457 1.261 -1.570
201 QB ARG 20 QB ARG 20 -14.316 -1.173 -1.969
202 QG ARG 20 QG ARG 20 -15.580 0.174 -0.449
203 QD ARG 20 QD ARG 20 -14.400 1.830 -1.636
204 QH1 ARG 20 QH1 ARG 20 -11.204 0.272 0.936
205 QH2 ARG 20 QH2 ARG 20 -11.148 1.708 -1.840
206 H THR 21 H THR 21 -15.156 -3.665 -1.079
207 HA THR 21 HA THR 21 -15.878 -4.952 1.331
208 HB THR 21 HB THR 21 -17.078 -3.194 2.236
209 HG1 THR 21 HG1 THR 21 -18.606 -4.764 1.972
210 1HG2 THR 21 1HG2 THR 21 -17.246 -2.325 -0.599
211 2HG2 THR 21 2HG2 THR 21 -18.559 -1.806 0.456
212 3HG2 THR 21 3HG2 THR 21 -16.893 -1.382 0.849
213 MG THR 21 MG THR 21 -17.566 -1.838 0.235
214 H TYR 22 H TYR 22 -16.704 -6.877 0.663
215 HA TYR 22 HA TYR 22 -18.826 -7.240 -1.168
216 1HB TYR 22 1HB TYR 22 -16.599 -6.410 -2.557
217 2HB TYR 22 2HB TYR 22 -16.465 -8.166 -2.667
218 HD1 TYR 22 HD1 TYR 22 -19.233 -5.622 -2.767
219 HD2 TYR 22 HD2 TYR 22 -17.454 -9.101 -4.552
220 HE1 TYR 22 HE1 TYR 22 -21.015 -5.649 -4.492
221 HE2 TYR 22 HE2 TYR 22 -19.236 -9.129 -6.275
222 HH TYR 22 HH TYR 22 -22.074 -7.282 -6.012
223 QB TYR 22 QB TYR 22 -16.532 -7.288 -2.612
224 QD TYR 22 QD TYR 22 -18.343 -7.361 -3.659
225 QE TYR 22 QE TYR 22 -20.125 -7.389 -5.383
226 QR TYR 22 QR TYR 22 -19.234 -7.375 -4.521
227 H ALA 23 H ALA 23 -15.651 -8.848 -0.950
228 HA ALA 23 HA ALA 23 -15.822 -11.405 -1.010
229 1HB ALA 23 1HB ALA 23 -14.465 -9.782 0.803
230 2HB ALA 23 3HB ALA 23 -14.148 -11.487 0.477
231 3HB ALA 23 2HB ALA 23 -15.229 -11.025 1.793
232 MB ALA 23 MB ALA 23 -14.614 -10.764 1.024
233 H ASP 24 H ASP 24 -17.228 -10.075 1.925
234 HA ASP 24 HA ASP 24 -18.598 -12.423 2.720
235 1HB ASP 24 1HB ASP 24 -18.773 -9.538 3.373
236 2HB ASP 24 2HB ASP 24 -20.226 -10.481 3.706
237 QB ASP 24 QB ASP 24 -19.499 -10.010 3.540
238 H VAL 25 H VAL 25 -20.227 -9.534 1.373
239 HA VAL 25 HA VAL 25 -22.677 -10.668 0.760
240 HB VAL 25 HB VAL 25 -21.243 -8.799 -1.140
241 1HG1 VAL 25 1HG1 VAL 25 -23.826 -9.892 -1.104
242 2HG1 VAL 25 2HG1 VAL 25 -24.021 -8.253 -0.481
243 3HG1 VAL 25 3HG1 VAL 25 -23.281 -8.514 -2.061
244 1HG2 VAL 25 1HG2 VAL 25 -22.357 -8.352 1.619
245 2HG2 VAL 25 2HG2 VAL 25 -20.876 -7.716 0.903
246 3HG2 VAL 25 3HG2 VAL 25 -22.440 -7.057 0.424
247 MG1 VAL 25 MG1 VAL 25 -23.709 -8.886 -1.215
248 MG2 VAL 25 MG2 VAL 25 -21.891 -7.708 0.982
249 QG VAL 25 QG VAL 25 -22.800 -8.297 -0.117
250 H ARG 26 H ARG 26 -19.861 -10.597 -1.454
251 HA ARG 26 HA ARG 26 -20.920 -11.982 -3.618
252 1HB ARG 26 1HB ARG 26 -18.444 -11.125 -3.012
253 2HB ARG 26 2HB ARG 26 -18.213 -12.852 -2.732
254 1HG ARG 26 1HG ARG 26 -19.002 -13.370 -4.976
255 2HG ARG 26 2HG ARG 26 -19.394 -11.675 -5.264
256 1HD ARG 26 1HD ARG 26 -17.188 -11.062 -5.523
257 2HD ARG 26 2HD ARG 26 -16.603 -12.312 -4.426
258 HE ARG 26 HE ARG 26 -17.691 -13.182 -7.047
259 1HH1 ARG 26 1HH1 ARG 26 -16.332 -15.331 -6.029
260 2HH1 ARG 26 2HH1 ARG 26 -14.660 -15.121 -6.431
261 1HH2 ARG 26 1HH2 ARG 26 -14.971 -11.730 -7.087
262 2HH2 ARG 26 2HH2 ARG 26 -13.890 -13.082 -7.030
263 QB ARG 26 QB ARG 26 -18.329 -11.989 -2.872
264 QG ARG 26 QG ARG 26 -19.198 -12.523 -5.120
265 QD ARG 26 QD ARG 26 -16.895 -11.687 -4.974
266 QH1 ARG 26 QH1 ARG 26 -15.496 -15.226 -6.230
267 QH2 ARG 26 QH2 ARG 26 -14.431 -12.406 -7.059
268 H ASP 27 H ASP 27 -19.371 -13.504 -0.762
269 HA ASP 27 HA ASP 27 -19.869 -16.188 -1.552
270 1HB ASP 27 1HB ASP 27 -18.349 -15.723 0.278
271 2HB ASP 27 2HB ASP 27 -19.639 -14.965 1.212
272 QB ASP 27 QB ASP 27 -18.994 -15.344 0.745
273 H GLU 28 H GLU 28 -21.922 -13.851 0.139
274 HA GLU 28 HA GLU 28 -23.971 -15.668 0.930
275 1HB GLU 28 1HB GLU 28 -24.216 -12.759 0.093
276 2HB GLU 28 2HB GLU 28 -25.450 -13.674 0.957
277 1HG GLU 28 1HG GLU 28 -22.823 -13.863 2.231
278 2HG GLU 28 2HG GLU 28 -23.408 -12.202 2.131
279 QB GLU 28 QB GLU 28 -24.833 -13.216 0.525
280 QG GLU 28 QG GLU 28 -23.116 -13.033 2.181
281 H ILE 29 H ILE 29 -23.249 -14.144 -2.172
282 HA ILE 29 HA ILE 29 -25.775 -14.910 -3.367
283 HB ILE 29 HB ILE 29 -23.332 -14.518 -5.046
284 1HG1 ILE 29 1HG1 ILE 29 -24.672 -12.417 -3.322
285 2HG1 ILE 29 2HG1 ILE 29 -22.954 -12.805 -3.415
286 1HG2 ILE 29 1HG2 ILE 29 -26.219 -13.598 -5.169
287 2HG2 ILE 29 2HG2 ILE 29 -24.993 -13.183 -6.366
288 3HG2 ILE 29 3HG2 ILE 29 -25.474 -14.865 -6.143
289 1HD1 ILE 29 1HD1 ILE 29 -23.763 -12.193 -6.053
290 2HD1 ILE 29 2HD1 ILE 29 -24.471 -10.951 -5.020
291 3HD1 ILE 29 3HD1 ILE 29 -22.729 -11.227 -5.000
292 MG ILE 29 MG ILE 29 -25.562 -13.882 -5.893
293 MD ILE 29 MD ILE 29 -23.654 -11.457 -5.358
294 QG ILE 29 QG ILE 29 -23.813 -12.611 -3.368
295 H ASN 30 H ASN 30 -23.802 -16.976 -2.117
296 HA ASN 30 HA ASN 30 -23.679 -18.858 -4.398
297 1HB ASN 30 1HB ASN 30 -21.575 -18.741 -3.266
298 2HB ASN 30 2HB ASN 30 -22.348 -18.822 -1.681
299 2HD2 ASN 30 1HD2 ASN 30 -20.771 -20.754 -1.455
300 1HD2 ASN 30 2HD2 ASN 30 -21.308 -22.263 -2.015
301 QB ASN 30 QB ASN 30 -21.962 -18.781 -2.474
302 QD ASN 30 QD ASN 30 -21.039 -21.509 -1.735
303 H LYS 31 H LYS 31 -24.418 -19.078 -0.892
304 HA LYS 31 HA LYS 31 -26.192 -21.345 -1.374
305 1HB LYS 31 1HB LYS 31 -25.495 -19.737 1.091
306 2HB LYS 31 2HB LYS 31 -26.660 -21.061 1.115
307 1HG LYS 31 1HG LYS 31 -24.968 -22.626 0.326
308 2HG LYS 31 2HG LYS 31 -23.797 -21.318 0.148
309 1HD LYS 31 1HD LYS 31 -23.955 -20.876 2.590
310 2HD LYS 31 2HD LYS 31 -25.059 -22.243 2.746
311 1HE LYS 31 1HE LYS 31 -22.410 -22.666 1.409
312 2HE LYS 31 2HE LYS 31 -22.473 -22.577 3.169
313 1HZ LYS 31 1HZ LYS 31 -24.420 -24.235 2.873
314 2HZ LYS 31 2HZ LYS 31 -23.705 -24.544 1.363
315 3HZ LYS 31 3HZ LYS 31 -22.820 -24.799 2.787
316 QB LYS 31 QB LYS 31 -26.077 -20.399 1.103
317 QD LYS 31 QD LYS 31 -24.507 -21.559 2.668
318 QG LYS 31 QG LYS 31 -24.382 -21.972 0.237
319 QE LYS 31 QE LYS 31 -22.442 -22.622 2.289
320 QZ LYS 31 QZ LYS 31 -23.648 -24.526 2.341
321 H ARG 32 H ARG 32 -26.560 -17.871 -1.105
322 HA ARG 32 HA ARG 32 -29.467 -18.114 -0.641
323 1HB ARG 32 1HB ARG 32 -27.594 -15.765 -0.947
324 2HB ARG 32 2HB ARG 32 -29.344 -15.561 -0.916
325 1HG ARG 32 1HG ARG 32 -28.269 -17.283 1.228
326 2HG ARG 32 2HG ARG 32 -27.771 -15.593 1.320
327 1HD ARG 32 1HD ARG 32 -30.639 -16.082 0.715
328 2HD ARG 32 2HD ARG 32 -30.106 -16.486 2.347
329 HE ARG 32 HE ARG 32 -29.175 -14.073 2.371
330 1HH1 ARG 32 1HH1 ARG 32 -29.733 -12.614 0.185
331 2HH1 ARG 32 2HH1 ARG 32 -31.403 -12.160 0.241
332 1HH2 ARG 32 1HH2 ARG 32 -32.255 -14.574 2.580
333 2HH2 ARG 32 2HH2 ARG 32 -32.831 -13.270 1.597
334 QB ARG 32 QB ARG 32 -28.469 -15.663 -0.932
335 QG ARG 32 QG ARG 32 -28.020 -16.438 1.274
336 QD ARG 32 QD ARG 32 -30.373 -16.284 1.531
337 QH1 ARG 32 QH1 ARG 32 -30.568 -12.387 0.213
338 QH2 ARG 32 QH2 ARG 32 -32.543 -13.922 2.089
339 H GLY 33 H GLY 33 -28.062 -19.084 -3.162
340 1HA GLY 33 1HA GLY 33 -28.342 -18.932 -5.502
341 2HA GLY 33 2HA GLY 33 -30.031 -18.684 -5.058
342 QA GLY 33 QA GLY 33 -29.187 -18.808 -5.280
343 H ARG 34 H ARG 34 -30.245 -17.230 -6.891
344 HA ARG 34 HA ARG 34 -30.425 -15.045 -7.740
345 1HB ARG 34 1HB ARG 34 -30.055 -14.714 -4.943
346 2HB ARG 34 2HB ARG 34 -28.997 -13.549 -5.742
347 1HG ARG 34 2HG ARG 34 -31.030 -12.973 -7.212
348 2HG ARG 34 1HG ARG 34 -31.076 -12.424 -5.536
349 1HD ARG 34 1HD ARG 34 -32.842 -14.278 -6.909
350 2HD ARG 34 2HD ARG 34 -32.129 -15.026 -5.481
351 HE ARG 34 HE ARG 34 -33.472 -12.366 -5.287
352 1HH1 ARG 34 1HH1 ARG 34 -32.539 -13.154 -2.738
353 2HH1 ARG 34 2HH1 ARG 34 -33.789 -14.154 -2.078
354 1HH2 ARG 34 1HH2 ARG 34 -35.306 -14.737 -5.142
355 2HH2 ARG 34 2HH2 ARG 34 -35.355 -15.054 -3.440
356 QB ARG 34 QB ARG 34 -29.526 -14.132 -5.342
357 QG ARG 34 QG ARG 34 -31.053 -12.698 -6.374
358 QD ARG 34 QD ARG 34 -32.485 -14.652 -6.195
359 QH1 ARG 34 QH1 ARG 34 -33.164 -13.654 -2.408
360 QH2 ARG 34 QH2 ARG 34 -35.330 -14.895 -4.291
No H/Q in entry = 360
Start of MODEL 13
1 H1 MET 1 H1 MET 1 -14.335 10.657 19.682
2 H2 MET 1 H2 MET 1 -12.680 10.420 19.983
3 H3 MET 1 H3 MET 1 -13.446 11.840 20.513
4 HA MET 1 HA MET 1 -13.523 12.770 18.439
5 1HB MET 1 1HB MET 1 -11.083 11.291 19.075
6 2HB MET 1 2HB MET 1 -11.260 11.579 17.344
7 1HG MET 1 1HG MET 1 -11.286 13.909 17.602
8 2HG MET 1 2HG MET 1 -11.751 13.811 19.301
9 1HE MET 1 1HE MET 1 -9.260 14.826 17.058
10 2HE MET 1 2HE MET 1 -9.496 15.782 18.519
11 3HE MET 1 3HE MET 1 -7.907 15.110 18.161
12 QB MET 1 QB MET 1 -11.171 11.435 18.209
13 QG MET 1 QG MET 1 -11.518 13.860 18.451
14 ME MET 1 ME MET 1 -8.888 15.239 17.913
15 H SER 2 H SER 2 -14.610 12.500 16.553
16 HA SER 2 HA SER 2 -14.999 9.732 15.549
17 1HB SER 2 1HB SER 2 -16.816 11.692 15.925
18 2HB SER 2 2HB SER 2 -16.369 12.035 14.257
19 HG SER 2 HG SER 2 -17.987 10.533 14.188
20 QB SER 2 QB SER 2 -16.593 11.864 15.091
21 H TRP 3 H TRP 3 -14.480 9.163 13.397
22 HA TRP 3 HA TRP 3 -12.899 11.184 11.866
23 1HB TRP 3 1HB TRP 3 -12.186 8.333 12.551
24 2HB TRP 3 2HB TRP 3 -11.502 9.124 11.131
25 HD1 TRP 3 HD1 TRP 3 -10.967 11.977 12.139
26 HE1 TRP 3 HE1 TRP 3 -9.210 12.448 13.966
27 HE3 TRP 3 HE3 TRP 3 -10.683 7.359 14.300
28 HZ2 TRP 3 HZ2 TRP 3 -7.863 11.050 16.067
29 HZ3 TRP 3 HZ3 TRP 3 -9.157 6.957 16.210
30 HH2 TRP 3 HH2 TRP 3 -7.747 8.795 17.096
31 QB TRP 3 QB TRP 3 -11.844 8.729 11.841
32 H ALA 4 H ALA 4 -12.401 9.665 9.594
33 HA ALA 4 HA ALA 4 -14.403 8.038 8.550
34 1HB ALA 4 3HB ALA 4 -16.187 9.487 8.841
35 2HB ALA 4 2HB ALA 4 -15.647 9.988 7.238
36 3HB ALA 4 1HB ALA 4 -15.184 10.925 8.658
37 MB ALA 4 MB ALA 4 -15.673 10.133 8.246
38 H LEU 5 H LEU 5 -13.194 11.207 7.385
39 HA LEU 5 HA LEU 5 -12.465 10.133 4.809
40 1HB LEU 5 1HB LEU 5 -12.116 12.721 6.246
41 2HB LEU 5 2HB LEU 5 -11.010 12.394 4.914
42 HG LEU 5 HG LEU 5 -12.957 13.559 4.041
43 1HD1 LEU 5 1HD1 LEU 5 -12.032 11.079 3.133
44 2HD1 LEU 5 2HD1 LEU 5 -13.791 10.946 3.069
45 3HD1 LEU 5 3HD1 LEU 5 -12.973 12.248 2.206
46 1HD2 LEU 5 1HD2 LEU 5 -14.323 11.822 5.929
47 2HD2 LEU 5 2HD2 LEU 5 -14.910 13.286 5.141
48 3HD2 LEU 5 3HD2 LEU 5 -15.065 11.728 4.332
49 MD1 LEU 5 MD1 LEU 5 -12.932 11.424 2.803
50 MD2 LEU 5 MD2 LEU 5 -14.766 12.279 5.134
51 QB LEU 5 QB LEU 5 -11.563 12.558 5.580
52 QD LEU 5 QD LEU 5 -13.849 11.852 3.968
53 H GLU 6 H GLU 6 -10.660 10.788 7.794
54 HA GLU 6 HA GLU 6 -8.063 10.225 6.703
55 1HB GLU 6 1HB GLU 6 -9.248 10.437 9.433
56 2HB GLU 6 2HB GLU 6 -7.704 9.598 9.284
57 1HG GLU 6 1HG GLU 6 -6.773 11.555 8.079
58 2HG GLU 6 2HG GLU 6 -8.308 12.398 8.288
59 QB GLU 6 QB GLU 6 -8.476 10.018 9.358
60 QG GLU 6 QG GLU 6 -7.540 11.977 8.183
61 H MET 7 H MET 7 -10.722 8.200 7.409
62 HA MET 7 HA MET 7 -8.999 5.803 7.736
63 1HB MET 7 1HB MET 7 -11.186 6.323 9.084
64 2HB MET 7 2HB MET 7 -12.003 5.738 7.634
65 1HG MET 7 1HG MET 7 -11.100 3.583 7.838
66 2HG MET 7 2HG MET 7 -9.776 4.132 8.866
67 1HE MET 7 1HE MET 7 -9.946 4.839 11.269
68 2HE MET 7 2HE MET 7 -10.838 3.720 12.297
69 3HE MET 7 3HE MET 7 -9.743 3.102 11.053
70 QB MET 7 QB MET 7 -11.595 6.030 8.359
71 QG MET 7 QG MET 7 -10.438 3.858 8.352
72 ME MET 7 ME MET 7 -10.175 3.887 11.540
73 H ALA 8 H ALA 8 -11.428 7.172 5.531
74 HA ALA 8 HA ALA 8 -11.378 4.925 3.711
75 1HB ALA 8 1HB ALA 8 -13.017 7.077 4.005
76 2HB ALA 8 2HB ALA 8 -12.056 7.593 2.618
77 3HB ALA 8 3HB ALA 8 -12.964 6.083 2.550
78 MB ALA 8 MB ALA 8 -12.679 6.918 3.058
79 H ASP 9 H ASP 9 -10.027 8.238 3.377
80 HA ASP 9 HA ASP 9 -8.622 7.986 1.021
81 1HB ASP 9 1HB ASP 9 -8.576 10.049 2.330
82 2HB ASP 9 2HB ASP 9 -7.623 9.259 3.586
83 QB ASP 9 QB ASP 9 -8.099 9.654 2.958
84 H THR 10 H THR 10 -7.135 7.223 4.198
85 HA THR 10 HA THR 10 -4.761 6.088 3.358
86 HB THR 10 HB THR 10 -5.612 4.303 5.328
87 HG1 THR 10 HG1 THR 10 -6.642 5.804 6.790
88 1HG2 THR 10 1HG2 THR 10 -4.183 6.950 5.333
89 2HG2 THR 10 2HG2 THR 10 -4.465 6.083 6.843
90 3HG2 THR 10 3HG2 THR 10 -3.517 5.332 5.559
91 MG THR 10 MG THR 10 -4.055 6.122 5.912
92 H PHE 11 H PHE 11 -7.933 4.465 3.460
93 HA PHE 11 HA PHE 11 -7.054 1.903 2.592
94 1HB PHE 11 1HB PHE 11 -9.522 3.153 3.138
95 2HB PHE 11 2HB PHE 11 -9.641 2.573 1.477
96 HD1 PHE 11 HD1 PHE 11 -7.852 0.198 1.581
97 HD2 PHE 11 HD2 PHE 11 -10.808 1.592 4.369
98 HE1 PHE 11 HE1 PHE 11 -8.164 -2.119 2.410
99 HE2 PHE 11 HE2 PHE 11 -11.120 -0.724 5.196
100 HZ PHE 11 HZ PHE 11 -9.798 -2.580 4.217
101 QB PHE 11 QB PHE 11 -9.581 2.863 2.308
102 QD PHE 11 QD PHE 11 -9.330 0.895 2.975
103 QE PHE 11 QE PHE 11 -9.642 -1.421 3.803
104 QR PHE 11 QR PHE 11 -9.548 -0.727 3.554
105 H LEU 12 H LEU 12 -8.429 4.575 0.632
106 HA LEU 12 HA LEU 12 -7.822 3.254 -1.870
107 1HB LEU 12 1HB LEU 12 -9.083 5.730 -0.998
108 2HB LEU 12 2HB LEU 12 -8.043 5.992 -2.400
109 HG LEU 12 HG LEU 12 -9.258 3.715 -3.183
110 1HD1 LEU 12 1HD1 LEU 12 -11.131 5.109 -1.266
111 2HD1 LEU 12 2HD1 LEU 12 -11.734 4.106 -2.586
112 3HD1 LEU 12 3HD1 LEU 12 -10.714 3.397 -1.335
113 1HD2 LEU 12 1HD2 LEU 12 -9.692 6.594 -3.588
114 2HD2 LEU 12 2HD2 LEU 12 -9.564 5.301 -4.780
115 3HD2 LEU 12 3HD2 LEU 12 -11.104 5.614 -3.981
116 MD1 LEU 12 MD1 LEU 12 -11.193 4.204 -1.729
117 MD2 LEU 12 MD2 LEU 12 -10.120 5.837 -4.117
118 QB LEU 12 QB LEU 12 -8.563 5.861 -1.699
119 QD LEU 12 QD LEU 12 -10.656 5.020 -2.923
120 H ASP 13 H ASP 13 -5.792 4.638 0.379
121 HA ASP 13 HA ASP 13 -4.007 6.197 -1.195
122 1HB ASP 13 1HB ASP 13 -4.107 5.471 1.437
123 2HB ASP 13 2HB ASP 13 -2.759 4.487 0.868
124 QB ASP 13 QB ASP 13 -3.433 4.979 1.153
125 H ASN 14 H ASN 14 -3.540 2.781 -0.196
126 HA ASN 14 HA ASN 14 -1.634 2.430 -2.420
127 1HB ASN 14 1HB ASN 14 -1.607 0.018 -1.453
128 2HB ASN 14 2HB ASN 14 -0.910 1.309 -0.474
129 2HD2 ASN 14 1HD2 ASN 14 -3.493 -1.045 -0.646
130 1HD2 ASN 14 2HD2 ASN 14 -4.204 -0.664 0.847
131 QB ASN 14 QB ASN 14 -1.258 0.663 -0.963
132 QD ASN 14 QD ASN 14 -3.849 -0.855 0.100
133 H MET 15 H MET 15 -4.839 1.261 -1.437
134 HA MET 15 HA MET 15 -6.403 -0.049 -2.633
135 1HB MET 15 1HB MET 15 -6.653 2.176 -3.678
136 2HB MET 15 2HB MET 15 -5.376 1.778 -4.828
137 1HG MET 15 1HG MET 15 -7.346 -0.328 -4.799
138 2HG MET 15 2HG MET 15 -8.137 1.222 -5.080
139 1HE MET 15 1HE MET 15 -8.921 1.228 -7.034
140 2HE MET 15 2HE MET 15 -7.899 2.566 -7.552
141 3HE MET 15 3HE MET 15 -8.123 1.178 -8.613
142 QB MET 15 QB MET 15 -6.014 1.977 -4.253
143 QG MET 15 QG MET 15 -7.742 0.447 -4.940
144 ME MET 15 ME MET 15 -8.314 1.657 -7.733
145 H ARG 16 H ARG 16 -4.530 -1.777 -2.342
146 HA ARG 16 HA ARG 16 -3.330 -2.575 -4.919
147 1HB ARG 16 1HB ARG 16 -3.023 -3.338 -2.070
148 2HB ARG 16 2HB ARG 16 -2.837 -4.658 -3.224
149 1HG ARG 16 1HG ARG 16 -1.121 -3.431 -4.433
150 2HG ARG 16 2HG ARG 16 -1.370 -2.013 -3.414
151 1HD ARG 16 1HD ARG 16 -0.904 -4.280 -1.722
152 2HD ARG 16 2HD ARG 16 0.370 -4.217 -2.939
153 HE ARG 16 HE ARG 16 -0.248 -1.689 -1.531
154 1HH1 ARG 16 1HH1 ARG 16 2.260 -1.577 -2.795
155 2HH1 ARG 16 2HH1 ARG 16 3.400 -2.163 -1.629
156 1HH2 ARG 16 1HH2 ARG 16 0.997 -3.699 0.342
157 2HH2 ARG 16 2HH2 ARG 16 2.685 -3.364 0.147
158 QB ARG 16 QB ARG 16 -2.930 -3.998 -2.647
159 QG ARG 16 QG ARG 16 -1.245 -2.722 -3.924
160 QD ARG 16 QD ARG 16 -0.267 -4.248 -2.330
161 QH1 ARG 16 QH1 ARG 16 2.830 -1.870 -2.212
162 QH2 ARG 16 QH2 ARG 16 1.841 -3.532 0.245
163 H VAL 17 H VAL 17 -5.929 -2.552 -5.388
164 HA VAL 17 HA VAL 17 -7.883 -3.804 -5.770
165 HB VAL 17 HB VAL 17 -6.377 -4.673 -7.508
166 1HG1 VAL 17 1HG1 VAL 17 -5.551 -6.601 -5.322
167 2HG1 VAL 17 2HG1 VAL 17 -5.185 -6.849 -7.029
168 3HG1 VAL 17 3HG1 VAL 17 -4.523 -5.453 -6.179
169 1HG2 VAL 17 1HG2 VAL 17 -8.700 -5.770 -6.749
170 2HG2 VAL 17 2HG2 VAL 17 -7.738 -6.455 -8.059
171 3HG2 VAL 17 3HG2 VAL 17 -7.651 -7.155 -6.443
172 MG1 VAL 17 MG1 VAL 17 -5.086 -6.301 -6.177
173 MG2 VAL 17 MG2 VAL 17 -8.030 -6.460 -7.084
174 QG VAL 17 QG VAL 17 -6.558 -6.380 -6.630
175 H GLY 18 H GLY 18 -7.230 -3.715 -3.028
176 1HA GLY 18 1HA GLY 18 -7.710 -4.836 -1.017
177 2HA GLY 18 2HA GLY 18 -8.802 -5.829 -1.983
178 QA GLY 18 QA GLY 18 -8.256 -5.333 -1.500
179 1HB PRO 19 1HB PRO 19 -3.190 -7.393 0.686
180 2HB PRO 19 2HB PRO 19 -2.916 -6.510 -0.826
181 1HG PRO 19 2HG PRO 19 -3.596 -4.664 0.387
182 2HG PRO 19 1HG PRO 19 -4.424 -5.653 1.601
183 1HD PRO 19 1HD PRO 19 -6.386 -5.102 0.539
184 2HD PRO 19 2HD PRO 19 -5.514 -4.408 -0.843
185 QB PRO 19 QB PRO 19 -3.053 -6.952 -0.070
186 QG PRO 19 QG PRO 19 -4.010 -5.158 0.994
187 QD PRO 19 QD PRO 19 -5.950 -4.755 -0.152
188 H ARG 20 H ARG 20 -5.671 -9.869 -1.302
189 HA ARG 20 HA ARG 20 -6.496 -10.448 1.508
190 1HB ARG 20 1HB ARG 20 -7.531 -11.216 -1.169
191 2HB ARG 20 2HB ARG 20 -7.591 -12.467 0.073
192 1HG ARG 20 1HG ARG 20 -8.579 -10.546 1.567
193 2HG ARG 20 2HG ARG 20 -8.955 -9.792 0.017
194 1HD ARG 20 2HD ARG 20 -9.759 -12.427 -0.338
195 2HD ARG 20 1HD ARG 20 -10.823 -11.064 0.008
196 HE ARG 20 HE ARG 20 -9.695 -12.857 2.122
197 1HH1 ARG 20 1HH1 ARG 20 -10.664 -10.496 3.406
198 2HH1 ARG 20 2HH1 ARG 20 -12.363 -10.768 3.610
199 1HH2 ARG 20 1HH2 ARG 20 -12.503 -13.321 1.266
200 2HH2 ARG 20 2HH2 ARG 20 -13.404 -12.369 2.398
201 QB ARG 20 QB ARG 20 -7.561 -11.842 -0.548
202 QG ARG 20 QG ARG 20 -8.767 -10.169 0.792
203 QD ARG 20 QD ARG 20 -10.291 -11.746 -0.165
204 QH1 ARG 20 QH1 ARG 20 -11.513 -10.632 3.508
205 QH2 ARG 20 QH2 ARG 20 -12.954 -12.845 1.832
206 H THR 21 H THR 21 -3.752 -10.715 0.125
207 HA THR 21 HA THR 21 -1.948 -12.187 0.490
208 HB THR 21 HB THR 21 -3.889 -14.210 1.608
209 HG1 THR 21 HG1 THR 21 -4.171 -13.014 3.303
210 1HG2 THR 21 1HG2 THR 21 -0.986 -13.519 2.126
211 2HG2 THR 21 2HG2 THR 21 -1.898 -14.726 3.030
212 3HG2 THR 21 3HG2 THR 21 -1.597 -14.956 1.307
213 MG THR 21 MG THR 21 -1.494 -14.400 2.154
214 H TYR 22 H TYR 22 -3.533 -12.092 -1.933
215 HA TYR 22 HA TYR 22 -3.552 -13.260 -3.975
216 1HB TYR 22 1HB TYR 22 -1.536 -14.575 -2.395
217 2HB TYR 22 2HB TYR 22 -2.440 -15.783 -3.308
218 HD1 TYR 22 HD1 TYR 22 -3.118 -14.750 -5.801
219 HD2 TYR 22 HD2 TYR 22 0.381 -13.833 -3.484
220 HE1 TYR 22 HE1 TYR 22 -1.922 -14.087 -7.870
221 HE2 TYR 22 HE2 TYR 22 1.577 -13.169 -5.553
222 HH TYR 22 HH TYR 22 0.155 -13.666 -8.737
223 QB TYR 22 QB TYR 22 -1.988 -15.179 -2.852
224 QD TYR 22 QD TYR 22 -1.369 -14.291 -4.643
225 QE TYR 22 QE TYR 22 -0.173 -13.628 -6.712
226 QR TYR 22 QR TYR 22 -0.771 -13.960 -5.677
227 H ALA 23 H ALA 23 -5.273 -13.955 -1.317
228 HA ALA 23 HA ALA 23 -6.406 -16.523 -2.079
229 1HB ALA 23 3HB ALA 23 -6.521 -15.936 0.255
230 2HB ALA 23 1HB ALA 23 -7.294 -14.396 -0.121
231 3HB ALA 23 2HB ALA 23 -8.172 -15.907 -0.366
232 MB ALA 23 MB ALA 23 -7.329 -15.413 -0.078
233 H ASP 24 H ASP 24 -7.095 -13.183 -2.610
234 HA ASP 24 HA ASP 24 -9.701 -13.625 -3.842
235 1HB ASP 24 1HB ASP 24 -8.071 -11.357 -3.079
236 2HB ASP 24 2HB ASP 24 -8.663 -11.154 -4.728
237 QB ASP 24 QB ASP 24 -8.367 -11.256 -3.903
238 H VAL 25 H VAL 25 -6.503 -12.614 -5.121
239 HA VAL 25 HA VAL 25 -7.168 -12.810 -7.869
240 HB VAL 25 HB VAL 25 -4.496 -13.472 -6.589
241 1HG1 VAL 25 1HG1 VAL 25 -4.785 -14.078 -9.005
242 2HG1 VAL 25 2HG1 VAL 25 -5.160 -12.388 -9.342
243 3HG1 VAL 25 3HG1 VAL 25 -3.563 -12.833 -8.742
244 1HG2 VAL 25 1HG2 VAL 25 -5.819 -11.157 -6.187
245 2HG2 VAL 25 2HG2 VAL 25 -4.066 -11.223 -6.371
246 3HG2 VAL 25 3HG2 VAL 25 -5.080 -10.790 -7.746
247 MG1 VAL 25 MG1 VAL 25 -4.503 -13.100 -9.030
248 MG2 VAL 25 MG2 VAL 25 -4.988 -11.056 -6.768
249 QG VAL 25 QG VAL 25 -4.746 -12.078 -7.899
250 H ARG 26 H ARG 26 -5.982 -15.266 -5.592
251 HA ARG 26 HA ARG 26 -5.722 -17.395 -7.479
252 1HB ARG 26 1HB ARG 26 -4.878 -17.364 -5.080
253 2HB ARG 26 2HB ARG 26 -6.536 -17.697 -4.577
254 1HG ARG 26 1HG ARG 26 -6.535 -19.830 -5.503
255 2HG ARG 26 2HG ARG 26 -5.285 -19.430 -6.681
256 1HD ARG 26 1HD ARG 26 -4.635 -19.390 -3.746
257 2HD ARG 26 2HD ARG 26 -4.662 -20.923 -4.618
258 HE ARG 26 HE ARG 26 -2.874 -18.637 -5.344
259 1HH1 ARG 26 1HH1 ARG 26 -2.853 -21.711 -4.094
260 2HH1 ARG 26 2HH1 ARG 26 -1.739 -22.380 -5.239
261 1HH2 ARG 26 1HH2 ARG 26 -1.796 -19.603 -7.314
262 2HH2 ARG 26 2HH2 ARG 26 -1.140 -21.186 -7.062
263 QB ARG 26 QB ARG 26 -5.707 -17.530 -4.829
264 QG ARG 26 QG ARG 26 -5.910 -19.630 -6.092
265 QD ARG 26 QD ARG 26 -4.648 -20.157 -4.182
266 QH1 ARG 26 QH1 ARG 26 -2.296 -22.045 -4.666
267 QH2 ARG 26 QH2 ARG 26 -1.468 -20.395 -7.188
268 H ASP 27 H ASP 27 -8.486 -16.355 -5.473
269 HA ASP 27 HA ASP 27 -10.259 -18.463 -6.241
270 1HB ASP 27 1HB ASP 27 -10.859 -17.069 -4.375
271 2HB ASP 27 2HB ASP 27 -10.771 -15.609 -5.361
272 QB ASP 27 QB ASP 27 -10.815 -16.339 -4.868
273 H GLU 28 H GLU 28 -9.465 -15.364 -7.767
274 HA GLU 28 HA GLU 28 -11.497 -15.198 -9.687
275 1HB GLU 28 1HB GLU 28 -8.831 -14.131 -9.352
276 2HB GLU 28 2HB GLU 28 -9.106 -14.549 -11.044
277 1HG GLU 28 1HG GLU 28 -11.327 -13.317 -10.864
278 2HG GLU 28 2HG GLU 28 -10.765 -12.712 -9.305
279 QB GLU 28 QB GLU 28 -8.968 -14.340 -10.198
280 QG GLU 28 QG GLU 28 -11.046 -13.015 -10.084
281 H ILE 29 H ILE 29 -8.685 -17.312 -9.589
282 HA ILE 29 HA ILE 29 -8.722 -18.313 -12.219
283 HB ILE 29 HB ILE 29 -8.051 -19.656 -9.611
284 1HG1 ILE 29 1HG1 ILE 29 -6.383 -18.499 -11.868
285 2HG1 ILE 29 2HG1 ILE 29 -6.571 -17.815 -10.253
286 1HG2 ILE 29 1HG2 ILE 29 -8.748 -21.297 -11.388
287 2HG2 ILE 29 2HG2 ILE 29 -7.465 -20.656 -12.414
288 3HG2 ILE 29 3HG2 ILE 29 -7.062 -21.461 -10.898
289 1HD1 ILE 29 1HD1 ILE 29 -5.533 -20.621 -10.646
290 2HD1 ILE 29 2HD1 ILE 29 -4.451 -19.229 -10.716
291 3HD1 ILE 29 3HD1 ILE 29 -5.355 -19.571 -9.240
292 MG ILE 29 MG ILE 29 -7.758 -21.138 -11.567
293 MD ILE 29 MD ILE 29 -5.113 -19.807 -10.201
294 QG ILE 29 QG ILE 29 -6.477 -18.157 -11.061
295 H ASN 30 H ASN 30 -9.929 -20.132 -9.558
296 HA ASN 30 HA ASN 30 -11.564 -21.930 -10.909
297 1HB ASN 30 1HB ASN 30 -11.374 -20.911 -8.170
298 2HB ASN 30 2HB ASN 30 -13.008 -21.421 -8.593
299 2HD2 ASN 30 1HD2 ASN 30 -9.820 -22.736 -9.643
300 1HD2 ASN 30 2HD2 ASN 30 -10.123 -24.314 -9.096
301 QB ASN 30 QB ASN 30 -12.191 -21.166 -8.382
302 QD ASN 30 QD ASN 30 -9.971 -23.525 -9.369
303 H LYS 31 H LYS 31 -12.137 -18.536 -10.374
304 HA LYS 31 HA LYS 31 -15.009 -18.651 -10.808
305 1HB LYS 31 1HB LYS 31 -13.247 -16.733 -9.876
306 2HB LYS 31 2HB LYS 31 -13.713 -16.107 -11.458
307 1HG LYS 31 1HG LYS 31 -16.140 -16.696 -10.721
308 2HG LYS 31 2HG LYS 31 -15.466 -16.734 -9.091
309 1HD LYS 31 2HD LYS 31 -14.478 -14.391 -10.395
310 2HD LYS 31 1HD LYS 31 -15.551 -14.491 -8.998
311 1HE LYS 31 1HE LYS 31 -16.180 -13.705 -11.697
312 2HE LYS 31 2HE LYS 31 -17.111 -15.143 -11.279
313 1HZ LYS 31 1HZ LYS 31 -16.982 -13.174 -9.181
314 2HZ LYS 31 2HZ LYS 31 -17.763 -12.622 -10.583
315 3HZ LYS 31 3HZ LYS 31 -18.320 -14.021 -9.796
316 QB LYS 31 QB LYS 31 -13.480 -16.420 -10.667
317 QD LYS 31 QD LYS 31 -15.014 -14.441 -9.697
318 QG LYS 31 QG LYS 31 -15.803 -16.715 -9.906
319 QE LYS 31 QE LYS 31 -16.645 -14.424 -11.488
320 QZ LYS 31 QZ LYS 31 -17.688 -13.272 -9.853
321 H ARG 32 H ARG 32 -12.202 -17.926 -12.862
322 HA ARG 32 HA ARG 32 -13.973 -17.604 -15.200
323 1HB ARG 32 2HB ARG 32 -12.071 -16.758 -16.334
324 2HB ARG 32 1HB ARG 32 -10.955 -17.543 -15.217
325 1HG ARG 32 1HG ARG 32 -11.836 -16.070 -13.390
326 2HG ARG 32 2HG ARG 32 -11.047 -15.171 -14.688
327 1HD ARG 32 1HD ARG 32 -13.642 -15.313 -15.590
328 2HD ARG 32 2HD ARG 32 -13.867 -15.159 -13.847
329 HE ARG 32 HE ARG 32 -12.025 -13.197 -14.374
330 1HH1 ARG 32 1HH1 ARG 32 -13.254 -13.344 -17.186
331 2HH1 ARG 32 2HH1 ARG 32 -14.444 -12.090 -17.082
332 1HH2 ARG 32 1HH2 ARG 32 -14.329 -11.902 -13.622
333 2HH2 ARG 32 2HH2 ARG 32 -15.053 -11.274 -15.064
334 QB ARG 32 QB ARG 32 -11.513 -17.151 -15.775
335 QG ARG 32 QG ARG 32 -11.442 -15.621 -14.039
336 QD ARG 32 QD ARG 32 -13.755 -15.236 -14.719
337 QH1 ARG 32 QH1 ARG 32 -13.849 -12.717 -17.134
338 QH2 ARG 32 QH2 ARG 32 -14.691 -11.588 -14.343
339 H GLY 33 H GLY 33 -11.267 -18.831 -16.513
340 1HA GLY 33 1HA GLY 33 -10.533 -21.187 -16.687
341 2HA GLY 33 2HA GLY 33 -12.180 -21.663 -16.267
342 QA GLY 33 QA GLY 33 -11.357 -21.425 -16.477
343 H ARG 34 H ARG 34 -12.516 -22.863 -18.194
344 HA ARG 34 HA ARG 34 -12.555 -21.226 -20.699
345 1HB ARG 34 2HB ARG 34 -12.295 -23.336 -21.926
346 2HB ARG 34 1HB ARG 34 -12.327 -24.238 -20.410
347 1HG ARG 34 1HG ARG 34 -10.165 -22.539 -21.571
348 2HG ARG 34 2HG ARG 34 -10.357 -22.510 -19.818
349 1HD ARG 34 1HD ARG 34 -10.049 -25.020 -21.492
350 2HD ARG 34 2HD ARG 34 -8.766 -24.273 -20.539
351 HE ARG 34 HE ARG 34 -11.034 -24.777 -18.858
352 1HH1 ARG 34 1HH1 ARG 34 -7.902 -25.564 -19.021
353 2HH1 ARG 34 2HH1 ARG 34 -8.058 -27.245 -18.633
354 1HH2 ARG 34 1HH2 ARG 34 -11.504 -27.288 -19.026
355 2HH2 ARG 34 2HH2 ARG 34 -10.096 -28.220 -18.635
356 QB ARG 34 QB ARG 34 -12.311 -23.787 -21.168
357 QG ARG 34 QG ARG 34 -10.261 -22.525 -20.695
358 QD ARG 34 QD ARG 34 -9.407 -24.646 -21.015
359 QH1 ARG 34 QH1 ARG 34 -7.980 -26.404 -18.827
360 QH2 ARG 34 QH2 ARG 34 -10.800 -27.754 -18.831
No H/Q in entry = 360
Start of MODEL 14
1 H1 MET 1 H1 MET 1 -15.662 15.129 8.074
2 H2 MET 1 H2 MET 1 -14.354 16.104 8.547
3 H3 MET 1 H3 MET 1 -14.124 14.862 7.410
4 HA MET 1 HA MET 1 -13.429 13.646 9.132
5 1HB MET 1 1HB MET 1 -14.866 15.754 10.740
6 2HB MET 1 2HB MET 1 -14.234 14.300 11.512
7 1HG MET 1 1HG MET 1 -12.210 15.328 9.774
8 2HG MET 1 2HG MET 1 -12.804 16.658 10.768
9 1HE MET 1 1HE MET 1 -10.239 15.190 10.300
10 2HE MET 1 2HE MET 1 -9.624 15.904 11.789
11 3HE MET 1 3HE MET 1 -9.595 14.154 11.581
12 QB MET 1 QB MET 1 -14.550 15.027 11.126
13 QG MET 1 QG MET 1 -12.507 15.993 10.271
14 ME MET 1 ME MET 1 -9.819 15.083 11.223
15 H SER 2 H SER 2 -15.984 13.359 7.617
16 HA SER 2 HA SER 2 -17.647 11.881 9.597
17 1HB SER 2 1HB SER 2 -19.120 11.716 7.385
18 2HB SER 2 2HB SER 2 -19.132 13.172 8.375
19 HG SER 2 HG SER 2 -18.742 13.414 6.026
20 QB SER 2 QB SER 2 -19.126 12.444 7.880
21 H TRP 3 H TRP 3 -16.948 11.320 6.144
22 HA TRP 3 HA TRP 3 -15.729 8.718 6.801
23 1HB TRP 3 2HB TRP 3 -18.219 8.329 6.662
24 2HB TRP 3 1HB TRP 3 -17.289 7.416 5.475
25 HD1 TRP 3 HD1 TRP 3 -19.034 10.878 5.645
26 HE1 TRP 3 HE1 TRP 3 -20.143 11.323 3.360
27 HE3 TRP 3 HE3 TRP 3 -17.617 6.660 3.137
28 HZ2 TRP 3 HZ2 TRP 3 -20.400 10.056 0.808
29 HZ3 TRP 3 HZ3 TRP 3 -18.308 6.305 0.783
30 HH2 TRP 3 HH2 TRP 3 -19.696 7.996 -0.383
31 QB TRP 3 QB TRP 3 -17.754 7.873 6.069
32 H ALA 4 H ALA 4 -15.336 7.603 4.400
33 HA ALA 4 HA ALA 4 -14.458 7.855 2.222
34 1HB ALA 4 1HB ALA 4 -15.965 10.151 2.456
35 2HB ALA 4 3HB ALA 4 -15.054 9.680 1.021
36 3HB ALA 4 2HB ALA 4 -14.343 10.790 2.192
37 MB ALA 4 MB ALA 4 -15.121 10.207 1.890
38 H LEU 5 H LEU 5 -13.374 10.254 4.639
39 HA LEU 5 HA LEU 5 -10.647 10.217 3.577
40 1HB LEU 5 1HB LEU 5 -11.515 12.274 4.578
41 2HB LEU 5 2HB LEU 5 -11.816 11.433 6.098
42 HG LEU 5 HG LEU 5 -9.225 10.830 5.840
43 1HD1 LEU 5 1HD1 LEU 5 -9.655 13.363 4.243
44 2HD1 LEU 5 2HD1 LEU 5 -8.105 12.972 4.987
45 3HD1 LEU 5 3HD1 LEU 5 -8.786 11.908 3.756
46 1HD2 LEU 5 1HD2 LEU 5 -10.682 13.147 7.021
47 2HD2 LEU 5 2HD2 LEU 5 -9.706 11.911 7.816
48 3HD2 LEU 5 3HD2 LEU 5 -8.921 13.255 6.986
49 MD1 LEU 5 MD1 LEU 5 -8.849 12.748 4.328
50 MD2 LEU 5 MD2 LEU 5 -9.769 12.771 7.274
51 QB LEU 5 QB LEU 5 -11.665 11.853 5.338
52 QD LEU 5 QD LEU 5 -9.309 12.759 5.801
53 H GLU 6 H GLU 6 -12.430 8.753 6.253
54 HA GLU 6 HA GLU 6 -10.057 7.660 7.528
55 1HB GLU 6 1HB GLU 6 -12.261 8.092 8.688
56 2HB GLU 6 2HB GLU 6 -12.916 6.704 7.817
57 1HG GLU 6 1HG GLU 6 -10.951 5.366 8.768
58 2HG GLU 6 2HG GLU 6 -10.678 6.733 9.849
59 QB GLU 6 QB GLU 6 -12.589 7.398 8.252
60 QG GLU 6 QG GLU 6 -10.815 6.050 9.309
61 H MET 7 H MET 7 -11.918 6.752 4.781
62 HA MET 7 HA MET 7 -10.968 3.940 4.946
63 1HB MET 7 1HB MET 7 -13.105 5.355 3.383
64 2HB MET 7 2HB MET 7 -12.429 3.853 2.752
65 1HG MET 7 1HG MET 7 -13.025 3.646 5.595
66 2HG MET 7 2HG MET 7 -14.458 4.074 4.660
67 1HE MET 7 1HE MET 7 -15.488 2.972 2.979
68 2HE MET 7 2HE MET 7 -14.213 2.614 1.817
69 3HE MET 7 3HE MET 7 -15.263 1.320 2.410
70 QB MET 7 QB MET 7 -12.767 4.604 3.067
71 QG MET 7 QG MET 7 -13.741 3.860 5.127
72 ME MET 7 ME MET 7 -14.988 2.302 2.402
73 H ALA 8 H ALA 8 -10.860 6.825 2.955
74 HA ALA 8 HA ALA 8 -9.039 5.684 0.980
75 1HB ALA 8 1HB ALA 8 -10.752 7.301 0.302
76 2HB ALA 8 3HB ALA 8 -9.136 7.904 -0.066
77 3HB ALA 8 2HB ALA 8 -10.010 8.522 1.335
78 MB ALA 8 MB ALA 8 -9.966 7.909 0.524
79 H ASP 9 H ASP 9 -8.479 7.582 3.883
80 HA ASP 9 HA ASP 9 -6.389 9.122 3.450
81 1HB ASP 9 1HB ASP 9 -5.625 8.679 5.687
82 2HB ASP 9 2HB ASP 9 -7.379 8.508 5.661
83 QB ASP 9 QB ASP 9 -6.502 8.594 5.674
84 H THR 10 H THR 10 -4.341 7.566 4.986
85 HA THR 10 HA THR 10 -2.185 7.384 3.427
86 HB THR 10 HB THR 10 -2.900 5.230 5.431
87 HG1 THR 10 HG1 THR 10 -2.881 6.883 6.714
88 1HG2 THR 10 1HG2 THR 10 -0.299 6.211 4.244
89 2HG2 THR 10 2HG2 THR 10 -0.370 5.266 5.731
90 3HG2 THR 10 3HG2 THR 10 -0.948 4.571 4.216
91 MG THR 10 MG THR 10 -0.539 5.349 4.730
92 H PHE 11 H PHE 11 -3.231 6.812 1.313
93 HA PHE 11 HA PHE 11 -3.507 5.310 -0.475
94 1HB PHE 11 1HB PHE 11 -2.135 3.410 1.420
95 2HB PHE 11 2HB PHE 11 -2.457 3.105 -0.286
96 HD1 PHE 11 HD1 PHE 11 -1.829 5.539 -1.655
97 HD2 PHE 11 HD2 PHE 11 0.171 3.788 1.719
98 HE1 PHE 11 HE1 PHE 11 0.255 6.731 -2.273
99 HE2 PHE 11 HE2 PHE 11 2.256 4.981 1.100
100 HZ PHE 11 HZ PHE 11 2.298 6.453 -0.896
101 QB PHE 11 QB PHE 11 -2.296 3.257 0.567
102 QD PHE 11 QD PHE 11 -0.829 4.664 0.032
103 QE PHE 11 QE PHE 11 1.256 5.856 -0.587
104 QR PHE 11 QR PHE 11 0.630 5.498 -0.401
105 H LEU 12 H LEU 12 -5.068 5.281 2.330
106 HA LEU 12 HA LEU 12 -6.376 2.775 2.380
107 1HB LEU 12 1HB LEU 12 -6.232 5.119 3.915
108 2HB LEU 12 2HB LEU 12 -7.895 5.075 3.368
109 HG LEU 12 HG LEU 12 -7.376 2.430 4.066
110 1HD1 LEU 12 1HD1 LEU 12 -5.390 3.995 5.288
111 2HD1 LEU 12 2HD1 LEU 12 -6.569 3.671 6.558
112 3HD1 LEU 12 3HD1 LEU 12 -5.820 2.333 5.688
113 1HD2 LEU 12 1HD2 LEU 12 -8.910 4.706 5.139
114 2HD2 LEU 12 2HD2 LEU 12 -9.410 3.037 4.862
115 3HD2 LEU 12 3HD2 LEU 12 -8.536 3.464 6.332
116 MD1 LEU 12 MD1 LEU 12 -5.926 3.333 5.845
117 MD2 LEU 12 MD2 LEU 12 -8.952 3.736 5.444
118 QB LEU 12 QB LEU 12 -7.064 5.097 3.641
119 QD LEU 12 QD LEU 12 -7.439 3.534 5.644
120 H ASP 13 H ASP 13 -6.324 5.508 0.319
121 HA ASP 13 HA ASP 13 -9.031 5.387 -0.726
122 1HB ASP 13 1HB ASP 13 -7.160 7.218 -1.019
123 2HB ASP 13 2HB ASP 13 -6.683 6.225 -2.398
124 QB ASP 13 QB ASP 13 -6.921 6.722 -1.709
125 H ASN 14 H ASN 14 -5.929 4.026 -1.873
126 HA ASN 14 HA ASN 14 -7.531 2.120 -3.531
127 1HB ASN 14 1HB ASN 14 -4.717 3.173 -3.955
128 2HB ASN 14 2HB ASN 14 -5.490 1.943 -4.956
129 2HD2 ASN 14 1HD2 ASN 14 -5.947 3.030 -6.897
130 1HD2 ASN 14 2HD2 ASN 14 -6.795 4.496 -6.997
131 QB ASN 14 QB ASN 14 -5.103 2.558 -4.455
132 QD ASN 14 QD ASN 14 -6.371 3.763 -6.947
133 H MET 15 H MET 15 -6.969 1.693 -0.750
134 HA MET 15 HA MET 15 -5.881 -0.957 -0.845
135 1HB MET 15 1HB MET 15 -3.880 0.925 -0.906
136 2HB MET 15 2HB MET 15 -4.030 0.616 0.824
137 1HG MET 15 1HG MET 15 -4.185 -1.910 -0.431
138 2HG MET 15 2HG MET 15 -2.856 -1.058 -1.218
139 1HE MET 15 1HE MET 15 -0.785 -1.410 -0.630
140 2HE MET 15 2HE MET 15 -0.773 0.111 0.260
141 3HE MET 15 3HE MET 15 -0.037 -1.336 0.963
142 QB MET 15 QB MET 15 -3.955 0.770 -0.041
143 QG MET 15 QG MET 15 -3.521 -1.484 -0.824
144 ME MET 15 ME MET 15 -0.532 -0.878 0.198
145 H ARG 16 H ARG 16 -7.877 -1.211 0.376
146 HA ARG 16 HA ARG 16 -7.950 0.053 3.057
147 1HB ARG 16 1HB ARG 16 -9.935 -0.482 1.229
148 2HB ARG 16 2HB ARG 16 -10.093 -1.839 2.345
149 1HG ARG 16 1HG ARG 16 -9.744 0.263 4.076
150 2HG ARG 16 2HG ARG 16 -10.660 1.022 2.774
151 1HD ARG 16 1HD ARG 16 -12.530 -0.255 3.157
152 2HD ARG 16 2HD ARG 16 -11.594 -1.658 3.672
153 HE ARG 16 HE ARG 16 -11.414 0.528 5.576
154 1HH1 ARG 16 1HH1 ARG 16 -13.445 -1.991 4.373
155 2HH1 ARG 16 2HH1 ARG 16 -14.198 -2.292 5.904
156 1HH2 ARG 16 1HH2 ARG 16 -12.336 0.094 7.595
157 2HH2 ARG 16 2HH2 ARG 16 -13.571 -1.114 7.726
158 QB ARG 16 QB ARG 16 -10.014 -1.161 1.787
159 QG ARG 16 QG ARG 16 -10.202 0.642 3.425
160 QD ARG 16 QD ARG 16 -12.062 -0.957 3.415
161 QH1 ARG 16 QH1 ARG 16 -13.821 -2.142 5.139
162 QH2 ARG 16 QH2 ARG 16 -12.953 -0.510 7.660
163 H VAL 17 H VAL 17 -5.887 -1.525 3.246
164 HA VAL 17 HA VAL 17 -5.010 -3.316 4.485
165 HB VAL 17 HB VAL 17 -7.891 -3.844 5.268
166 1HG1 VAL 17 1HG1 VAL 17 -5.195 -4.719 6.264
167 2HG1 VAL 17 2HG1 VAL 17 -6.541 -4.588 7.397
168 3HG1 VAL 17 3HG1 VAL 17 -6.653 -5.678 6.014
169 1HG2 VAL 17 1HG2 VAL 17 -7.120 -1.475 5.680
170 2HG2 VAL 17 2HG2 VAL 17 -7.523 -2.364 7.148
171 3HG2 VAL 17 3HG2 VAL 17 -5.835 -2.131 6.693
172 MG1 VAL 17 MG1 VAL 17 -6.130 -4.995 6.558
173 MG2 VAL 17 MG2 VAL 17 -6.826 -1.990 6.507
174 QG VAL 17 QG VAL 17 -6.478 -3.492 6.533
175 H GLY 18 H GLY 18 -5.814 -3.667 1.696
176 1HA GLY 18 1HA GLY 18 -5.618 -5.572 0.278
177 2HA GLY 18 2HA GLY 18 -5.855 -6.609 1.685
178 QA GLY 18 QA GLY 18 -5.737 -6.091 0.982
179 1HB PRO 19 1HB PRO 19 -9.815 -8.984 -1.612
180 2HB PRO 19 2HB PRO 19 -9.097 -7.655 -2.539
181 1HG PRO 19 2HG PRO 19 -7.142 -8.873 -2.353
182 2HG PRO 19 1HG PRO 19 -7.740 -9.789 -0.960
183 1HD PRO 19 1HD PRO 19 -6.461 -8.407 0.356
184 2HD PRO 19 2HD PRO 19 -6.142 -7.311 -1.006
185 QB PRO 19 QB PRO 19 -9.456 -8.319 -2.076
186 QG PRO 19 QG PRO 19 -7.441 -9.331 -1.656
187 QD PRO 19 QD PRO 19 -6.301 -7.859 -0.325
188 H ARG 20 H ARG 20 -11.524 -8.506 -0.586
189 HA ARG 20 HA ARG 20 -11.474 -9.298 2.298
190 1HB ARG 20 2HB ARG 20 -13.811 -8.835 2.506
191 2HB ARG 20 1HB ARG 20 -13.991 -8.611 0.765
192 1HG ARG 20 1HG ARG 20 -12.259 -6.851 2.525
193 2HG ARG 20 2HG ARG 20 -12.674 -6.581 0.832
194 1HD ARG 20 1HD ARG 20 -14.803 -6.807 2.962
195 2HD ARG 20 2HD ARG 20 -14.028 -5.267 2.590
196 HE ARG 20 HE ARG 20 -16.022 -6.589 0.961
197 1HH1 ARG 20 1HH1 ARG 20 -14.422 -3.739 1.319
198 2HH1 ARG 20 2HH1 ARG 20 -14.238 -3.388 -0.367
199 1HH2 ARG 20 1HH2 ARG 20 -15.253 -6.538 -1.406
200 2HH2 ARG 20 2HH2 ARG 20 -14.708 -4.972 -1.910
201 QB ARG 20 QB ARG 20 -13.901 -8.723 1.635
202 QG ARG 20 QG ARG 20 -12.467 -6.716 1.679
203 QD ARG 20 QD ARG 20 -14.416 -6.037 2.776
204 QH1 ARG 20 QH1 ARG 20 -14.330 -3.564 0.476
205 QH2 ARG 20 QH2 ARG 20 -14.980 -5.755 -1.658
206 H THR 21 H THR 21 -12.529 -10.052 -0.992
207 HA THR 21 HA THR 21 -13.871 -12.486 -0.537
208 HB THR 21 HB THR 21 -13.502 -12.971 -2.825
209 HG1 THR 21 HG1 THR 21 -11.710 -12.132 -3.932
210 1HG2 THR 21 1HG2 THR 21 -14.195 -10.400 -2.027
211 2HG2 THR 21 2HG2 THR 21 -12.987 -10.135 -3.285
212 3HG2 THR 21 3HG2 THR 21 -14.432 -11.083 -3.637
213 MG THR 21 MG THR 21 -13.871 -10.540 -2.983
214 H TYR 22 H TYR 22 -13.192 -14.431 0.239
215 HA TYR 22 HA TYR 22 -10.266 -14.822 0.621
216 1HB TYR 22 1HB TYR 22 -12.666 -16.226 1.833
217 2HB TYR 22 2HB TYR 22 -10.991 -16.672 2.158
218 HD1 TYR 22 HD1 TYR 22 -9.554 -14.212 2.424
219 HD2 TYR 22 HD2 TYR 22 -13.560 -15.113 3.681
220 HE1 TYR 22 HE1 TYR 22 -9.415 -12.432 4.142
221 HE2 TYR 22 HE2 TYR 22 -13.420 -13.333 5.401
222 HH TYR 22 HH TYR 22 -10.630 -12.012 6.454
223 QB TYR 22 QB TYR 22 -11.829 -16.449 1.995
224 QD TYR 22 QD TYR 22 -11.557 -14.663 3.052
225 QE TYR 22 QE TYR 22 -11.417 -12.882 4.772
226 QR TYR 22 QR TYR 22 -11.487 -13.772 3.912
227 H ALA 23 H ALA 23 -13.125 -16.654 -0.560
228 HA ALA 23 HA ALA 23 -11.569 -18.846 -1.537
229 1HB ALA 23 2HB ALA 23 -14.122 -18.094 -2.893
230 2HB ALA 23 3HB ALA 23 -13.554 -19.686 -2.389
231 3HB ALA 23 1HB ALA 23 -14.188 -18.557 -1.192
232 MB ALA 23 MB ALA 23 -13.955 -18.779 -2.158
233 H ASP 24 H ASP 24 -12.362 -15.752 -2.803
234 HA ASP 24 HA ASP 24 -11.531 -16.370 -5.542
235 1HB ASP 24 1HB ASP 24 -12.697 -14.085 -4.108
236 2HB ASP 24 2HB ASP 24 -11.509 -13.616 -5.325
237 QB ASP 24 QB ASP 24 -12.103 -13.850 -4.717
238 H VAL 25 H VAL 25 -10.267 -13.969 -3.193
239 HA VAL 25 HA VAL 25 -7.816 -13.451 -4.377
240 HB VAL 25 HB VAL 25 -8.621 -12.391 -2.269
241 1HG1 VAL 25 1HG1 VAL 25 -9.330 -14.570 -1.218
242 2HG1 VAL 25 2HG1 VAL 25 -7.625 -14.928 -0.942
243 3HG1 VAL 25 3HG1 VAL 25 -8.374 -13.538 -0.154
244 1HG2 VAL 25 1HG2 VAL 25 -6.075 -12.720 -3.087
245 2HG2 VAL 25 2HG2 VAL 25 -6.481 -11.855 -1.604
246 3HG2 VAL 25 3HG2 VAL 25 -5.972 -13.542 -1.529
247 MG1 VAL 25 MG1 VAL 25 -8.443 -14.345 -0.772
248 MG2 VAL 25 MG2 VAL 25 -6.176 -12.706 -2.074
249 QG VAL 25 QG VAL 25 -7.309 -13.526 -1.423
250 H ARG 26 H ARG 26 -8.565 -16.167 -2.188
251 HA ARG 26 HA ARG 26 -5.929 -17.324 -2.341
252 1HB ARG 26 1HB ARG 26 -8.083 -17.758 -0.753
253 2HB ARG 26 2HB ARG 26 -8.241 -19.121 -1.862
254 1HG ARG 26 2HG ARG 26 -5.526 -19.081 -1.290
255 2HG ARG 26 1HG ARG 26 -6.713 -20.166 -0.564
256 1HD ARG 26 1HD ARG 26 -5.293 -18.863 1.091
257 2HD ARG 26 2HD ARG 26 -6.107 -17.404 0.523
258 HE ARG 26 HE ARG 26 -7.970 -19.495 1.332
259 1HH1 ARG 26 1HH1 ARG 26 -8.663 -16.676 1.701
260 2HH1 ARG 26 2HH1 ARG 26 -8.399 -16.415 3.393
261 1HH2 ARG 26 1HH2 ARG 26 -6.463 -19.262 3.799
262 2HH2 ARG 26 2HH2 ARG 26 -7.154 -17.880 4.582
263 QB ARG 26 QB ARG 26 -8.162 -18.440 -1.307
264 QG ARG 26 QG ARG 26 -6.120 -19.624 -0.927
265 QD ARG 26 QD ARG 26 -5.700 -18.133 0.807
266 QH1 ARG 26 QH1 ARG 26 -8.531 -16.546 2.547
267 QH2 ARG 26 QH2 ARG 26 -6.808 -18.571 4.190
268 H ASP 27 H ASP 27 -8.893 -17.748 -4.244
269 HA ASP 27 HA ASP 27 -8.046 -20.073 -5.679
270 1HB ASP 27 1HB ASP 27 -10.093 -17.942 -6.067
271 2HB ASP 27 2HB ASP 27 -9.645 -18.889 -7.486
272 QB ASP 27 QB ASP 27 -9.869 -18.415 -6.776
273 H GLU 28 H GLU 28 -7.069 -16.761 -5.899
274 HA GLU 28 HA GLU 28 -6.196 -16.782 -8.638
275 1HB GLU 28 1HB GLU 28 -5.230 -15.179 -6.250
276 2HB GLU 28 2HB GLU 28 -4.720 -14.879 -7.911
277 1HG GLU 28 1HG GLU 28 -7.329 -14.838 -8.362
278 2HG GLU 28 2HG GLU 28 -7.399 -14.444 -6.644
279 QB GLU 28 QB GLU 28 -4.975 -15.029 -7.080
280 QG GLU 28 QG GLU 28 -7.364 -14.641 -7.503
281 H ILE 29 H ILE 29 -4.693 -17.785 -5.592
282 HA ILE 29 HA ILE 29 -2.087 -18.201 -6.721
283 HB ILE 29 HB ILE 29 -2.777 -18.063 -4.229
284 1HG1 ILE 29 2HG1 ILE 29 -0.624 -19.456 -5.606
285 2HG1 ILE 29 1HG1 ILE 29 -0.921 -20.149 -4.012
286 1HG2 ILE 29 1HG2 ILE 29 -4.264 -20.247 -4.791
287 2HG2 ILE 29 2HG2 ILE 29 -2.778 -21.036 -4.264
288 3HG2 ILE 29 3HG2 ILE 29 -3.616 -19.922 -3.183
289 1HD1 ILE 29 1HD1 ILE 29 -1.073 -17.332 -3.715
290 2HD1 ILE 29 2HD1 ILE 29 0.180 -18.409 -3.098
291 3HD1 ILE 29 3HD1 ILE 29 0.364 -17.659 -4.684
292 MG ILE 29 MG ILE 29 -3.553 -20.402 -4.079
293 MD ILE 29 MD ILE 29 -0.176 -17.800 -3.832
294 QG ILE 29 QG ILE 29 -0.772 -19.803 -4.809
295 H ASN 30 H ASN 30 -4.720 -19.680 -7.755
296 HA ASN 30 HA ASN 30 -3.613 -22.401 -7.919
297 1HB ASN 30 1HB ASN 30 -6.240 -21.312 -7.913
298 2HB ASN 30 2HB ASN 30 -5.988 -22.045 -9.497
299 2HD2 ASN 30 1HD2 ASN 30 -5.024 -22.915 -6.117
300 1HD2 ASN 30 2HD2 ASN 30 -5.541 -24.528 -6.235
301 QB ASN 30 QB ASN 30 -6.114 -21.678 -8.705
302 QD ASN 30 QD ASN 30 -5.283 -23.721 -6.176
303 H LYS 31 H LYS 31 -5.003 -20.070 -10.266
304 HA LYS 31 HA LYS 31 -2.874 -20.953 -12.168
305 1HB LYS 31 1HB LYS 31 -5.805 -20.400 -12.630
306 2HB LYS 31 2HB LYS 31 -4.638 -20.324 -13.950
307 1HG LYS 31 1HG LYS 31 -3.882 -22.673 -13.021
308 2HG LYS 31 2HG LYS 31 -5.502 -22.692 -12.324
309 1HD LYS 31 1HD LYS 31 -6.042 -21.846 -14.861
310 2HD LYS 31 2HD LYS 31 -4.665 -22.909 -15.150
311 1HE LYS 31 1HE LYS 31 -6.497 -24.380 -15.258
312 2HE LYS 31 2HE LYS 31 -5.925 -24.581 -13.602
313 1HZ LYS 31 1HZ LYS 31 -7.741 -22.419 -13.761
314 2HZ LYS 31 2HZ LYS 31 -8.450 -23.816 -14.420
315 3HZ LYS 31 3HZ LYS 31 -7.846 -23.835 -12.832
316 QB LYS 31 QB LYS 31 -5.221 -20.362 -13.290
317 QD LYS 31 QD LYS 31 -5.353 -22.377 -15.006
318 QG LYS 31 QG LYS 31 -4.692 -22.682 -12.672
319 QE LYS 31 QE LYS 31 -6.211 -24.481 -14.430
320 QZ LYS 31 QZ LYS 31 -8.012 -23.357 -13.671
321 H ARG 32 H ARG 32 -2.673 -18.694 -10.356
322 HA ARG 32 HA ARG 32 -3.326 -16.233 -11.708
323 1HB ARG 32 1HB ARG 32 -1.536 -15.305 -10.102
324 2HB ARG 32 2HB ARG 32 -2.953 -16.052 -9.367
325 1HG ARG 32 1HG ARG 32 -1.776 -17.994 -8.768
326 2HG ARG 32 2HG ARG 32 -0.516 -17.713 -9.966
327 1HD ARG 32 1HD ARG 32 -0.796 -15.583 -7.936
328 2HD ARG 32 2HD ARG 32 -0.243 -17.137 -7.312
329 HE ARG 32 HE ARG 32 1.210 -15.431 -9.245
330 1HH1 ARG 32 1HH1 ARG 32 0.984 -18.652 -9.342
331 2HH1 ARG 32 2HH1 ARG 32 2.578 -19.019 -8.774
332 1HH2 ARG 32 1HH2 ARG 32 3.238 -15.784 -7.720
333 2HH2 ARG 32 2HH2 ARG 32 3.853 -17.397 -7.856
334 QB ARG 32 QB ARG 32 -2.245 -15.679 -9.735
335 QG ARG 32 QG ARG 32 -1.146 -17.853 -9.367
336 QD ARG 32 QD ARG 32 -0.520 -16.360 -7.624
337 QH1 ARG 32 QH1 ARG 32 1.781 -18.836 -9.058
338 QH2 ARG 32 QH2 ARG 32 3.545 -16.591 -7.788
339 H GLY 33 H GLY 33 -2.480 -16.806 -13.864
340 1HA GLY 33 1HA GLY 33 0.475 -16.864 -14.099
341 2HA GLY 33 2HA GLY 33 -0.662 -17.205 -15.404
342 QA GLY 33 QA GLY 33 -0.093 -17.035 -14.752
343 H ARG 34 H ARG 34 -2.270 -14.770 -14.609
344 HA ARG 34 HA ARG 34 -0.385 -12.683 -15.627
345 1HB ARG 34 2HB ARG 34 -2.011 -13.575 -17.371
346 2HB ARG 34 1HB ARG 34 -2.079 -11.833 -17.098
347 1HG ARG 34 1HG ARG 34 -3.871 -13.721 -15.572
348 2HG ARG 34 2HG ARG 34 -4.079 -11.992 -15.852
349 1HD ARG 34 1HD ARG 34 -4.285 -14.187 -17.933
350 2HD ARG 34 2HD ARG 34 -5.613 -13.216 -17.298
351 HE ARG 34 HE ARG 34 -4.592 -11.254 -18.427
352 1HH1 ARG 34 1HH1 ARG 34 -4.455 -14.312 -19.800
353 2HH1 ARG 34 2HH1 ARG 34 -3.334 -13.895 -21.053
354 1HH2 ARG 34 1HH2 ARG 34 -2.690 -10.732 -19.785
355 2HH2 ARG 34 2HH2 ARG 34 -2.334 -11.868 -21.044
356 QB ARG 34 QB ARG 34 -2.045 -12.704 -17.235
357 QG ARG 34 QG ARG 34 -3.975 -12.857 -15.712
358 QD ARG 34 QD ARG 34 -4.949 -13.702 -17.616
359 QH1 ARG 34 QH1 ARG 34 -3.895 -14.103 -20.426
360 QH2 ARG 34 QH2 ARG 34 -2.512 -11.300 -20.414
No H/Q in entry = 360
Start of MODEL 15
1 H1 MET 1 H1 MET 1 -11.136 17.519 5.736
2 H2 MET 1 H2 MET 1 -11.193 18.020 7.358
3 H3 MET 1 H3 MET 1 -10.280 16.660 6.925
4 HA MET 1 HA MET 1 -12.039 15.437 7.484
5 1HB MET 1 1HB MET 1 -12.935 17.445 8.683
6 2HB MET 1 2HB MET 1 -13.741 17.930 7.192
7 1HG MET 1 1HG MET 1 -14.369 15.185 7.669
8 2HG MET 1 2HG MET 1 -14.655 16.073 9.165
9 1HE MET 1 1HE MET 1 -16.593 16.082 9.611
10 2HE MET 1 2HE MET 1 -17.794 17.230 9.024
11 3HE MET 1 3HE MET 1 -17.809 15.558 8.447
12 QB MET 1 QB MET 1 -13.338 17.688 7.937
13 QG MET 1 QG MET 1 -14.512 15.629 8.417
14 ME MET 1 ME MET 1 -17.399 16.290 9.027
15 H SER 2 H SER 2 -11.711 14.395 5.392
16 HA SER 2 HA SER 2 -13.678 15.260 3.318
17 1HB SER 2 1HB SER 2 -11.949 13.367 2.180
18 2HB SER 2 2HB SER 2 -11.924 15.109 1.925
19 HG SER 2 HG SER 2 -10.421 15.320 3.508
20 QB SER 2 QB SER 2 -11.936 14.238 2.053
21 H TRP 3 H TRP 3 -14.155 13.534 5.727
22 HA TRP 3 HA TRP 3 -15.073 11.424 6.268
23 1HB TRP 3 1HB TRP 3 -16.822 10.943 4.190
24 2HB TRP 3 2HB TRP 3 -17.152 11.988 5.569
25 HD1 TRP 3 HD1 TRP 3 -16.395 14.636 5.221
26 HE1 TRP 3 HE1 TRP 3 -16.611 16.099 3.112
27 HE3 TRP 3 HE3 TRP 3 -16.887 10.997 1.661
28 HZ2 TRP 3 HZ2 TRP 3 -16.945 15.774 0.294
29 HZ3 TRP 3 HZ3 TRP 3 -17.151 11.606 -0.723
30 HH2 TRP 3 HH2 TRP 3 -17.182 13.986 -1.413
31 QB TRP 3 QB TRP 3 -16.987 11.466 4.880
32 H ALA 4 H ALA 4 -15.522 10.783 2.857
33 HA ALA 4 HA ALA 4 -14.618 8.149 2.910
34 1HB ALA 4 3HB ALA 4 -15.623 8.591 0.892
35 2HB ALA 4 1HB ALA 4 -14.921 10.206 0.780
36 3HB ALA 4 2HB ALA 4 -13.946 8.790 0.381
37 MB ALA 4 MB ALA 4 -14.830 9.196 0.684
38 H LEU 5 H LEU 5 -12.678 10.575 1.212
39 HA LEU 5 HA LEU 5 -10.259 9.247 1.184
40 1HB LEU 5 1HB LEU 5 -11.073 11.722 0.443
41 2HB LEU 5 2HB LEU 5 -10.079 12.139 1.838
42 HG LEU 5 HG LEU 5 -8.806 10.138 0.131
43 1HD1 LEU 5 1HD1 LEU 5 -10.257 12.048 -1.277
44 2HD1 LEU 5 2HD1 LEU 5 -8.637 12.743 -1.197
45 3HD1 LEU 5 3HD1 LEU 5 -8.878 11.143 -1.900
46 1HD2 LEU 5 1HD2 LEU 5 -8.174 12.755 1.459
47 2HD2 LEU 5 2HD2 LEU 5 -7.390 11.187 1.657
48 3HD2 LEU 5 3HD2 LEU 5 -7.084 12.151 0.211
49 MD1 LEU 5 MD1 LEU 5 -9.257 11.978 -1.458
50 MD2 LEU 5 MD2 LEU 5 -7.549 12.031 1.109
51 QB LEU 5 QB LEU 5 -10.576 11.930 1.140
52 QD LEU 5 QD LEU 5 -8.403 12.004 -0.174
53 H GLU 6 H GLU 6 -11.639 11.031 3.922
54 HA GLU 6 HA GLU 6 -9.334 11.201 5.551
55 1HB GLU 6 1HB GLU 6 -11.319 12.382 6.193
56 2HB GLU 6 2HB GLU 6 -12.251 10.888 6.292
57 1HG GLU 6 1HG GLU 6 -10.601 10.142 8.100
58 2HG GLU 6 2HG GLU 6 -10.014 11.805 8.115
59 QB GLU 6 QB GLU 6 -11.785 11.635 6.243
60 QG GLU 6 QG GLU 6 -10.308 10.974 8.107
61 H MET 7 H MET 7 -11.825 8.608 5.633
62 HA MET 7 HA MET 7 -10.106 7.010 7.395
63 1HB MET 7 1HB MET 7 -12.458 6.877 7.811
64 2HB MET 7 2HB MET 7 -12.807 6.535 6.118
65 1HG MET 7 1HG MET 7 -11.160 4.463 6.630
66 2HG MET 7 2HG MET 7 -11.793 4.723 8.253
67 1HE MET 7 1HE MET 7 -12.450 2.368 8.062
68 2HE MET 7 2HE MET 7 -13.744 3.173 8.948
69 3HE MET 7 3HE MET 7 -14.128 1.957 7.721
70 QB MET 7 QB MET 7 -12.633 6.706 6.964
71 QG MET 7 QG MET 7 -11.476 4.593 7.441
72 ME MET 7 ME MET 7 -13.441 2.499 8.244
73 H ALA 8 H ALA 8 -11.466 6.531 4.117
74 HA ALA 8 HA ALA 8 -10.130 4.115 3.535
75 1HB ALA 8 3HB ALA 8 -11.268 4.393 1.610
76 2HB ALA 8 2HB ALA 8 -10.230 5.750 1.172
77 3HB ALA 8 1HB ALA 8 -11.691 6.027 2.119
78 MB ALA 8 MB ALA 8 -11.063 5.390 1.633
79 H ASP 9 H ASP 9 -8.918 7.433 3.374
80 HA ASP 9 HA ASP 9 -6.699 7.092 1.737
81 1HB ASP 9 1HB ASP 9 -7.106 9.268 2.590
82 2HB ASP 9 2HB ASP 9 -7.043 8.712 4.262
83 QB ASP 9 QB ASP 9 -7.074 8.990 3.426
84 H THR 10 H THR 10 -6.965 6.258 5.184
85 HA THR 10 HA THR 10 -4.244 5.336 5.503
86 HB THR 10 HB THR 10 -5.917 4.119 7.459
87 HG1 THR 10 HG1 THR 10 -6.928 6.157 8.124
88 1HG2 THR 10 1HG2 THR 10 -3.587 5.504 7.385
89 2HG2 THR 10 2HG2 THR 10 -4.669 6.751 8.008
90 3HG2 THR 10 3HG2 THR 10 -4.498 5.221 8.869
91 MG THR 10 MG THR 10 -4.251 5.825 8.087
92 H PHE 11 H PHE 11 -5.355 3.974 3.269
93 HA PHE 11 HA PHE 11 -4.422 1.380 3.474
94 1HB PHE 11 1HB PHE 11 -6.659 1.376 5.040
95 2HB PHE 11 2HB PHE 11 -7.394 1.081 3.462
96 HD1 PHE 11 HD1 PHE 11 -4.488 -0.049 5.547
97 HD2 PHE 11 HD2 PHE 11 -7.449 -1.115 2.619
98 HE1 PHE 11 HE1 PHE 11 -3.709 -2.401 5.615
99 HE2 PHE 11 HE2 PHE 11 -6.669 -3.469 2.693
100 HZ PHE 11 HZ PHE 11 -4.798 -4.112 4.190
101 QB PHE 11 QB PHE 11 -7.027 1.228 4.251
102 QD PHE 11 QD PHE 11 -5.969 -0.582 4.083
103 QE PHE 11 QE PHE 11 -5.189 -2.935 4.154
104 QR PHE 11 QR PHE 11 -5.423 -2.229 4.133
105 H LEU 12 H LEU 12 -7.384 2.841 2.483
106 HA LEU 12 HA LEU 12 -7.450 1.897 -0.202
107 1HB LEU 12 1HB LEU 12 -9.072 3.435 1.597
108 2HB LEU 12 2HB LEU 12 -8.958 4.299 0.067
109 HG LEU 12 HG LEU 12 -10.852 2.816 -0.062
110 1HD1 LEU 12 1HD1 LEU 12 -8.851 2.852 -1.890
111 2HD1 LEU 12 2HD1 LEU 12 -8.925 1.126 -1.538
112 3HD1 LEU 12 3HD1 LEU 12 -10.360 1.969 -2.120
113 1HD2 LEU 12 1HD2 LEU 12 -9.529 1.269 1.748
114 2HD2 LEU 12 2HD2 LEU 12 -10.914 0.705 0.813
115 3HD2 LEU 12 3HD2 LEU 12 -9.276 0.328 0.278
116 MD1 LEU 12 MD1 LEU 12 -9.378 1.982 -1.849
117 MD2 LEU 12 MD2 LEU 12 -9.906 0.767 0.947
118 QB LEU 12 QB LEU 12 -9.015 3.867 0.832
119 QD LEU 12 QD LEU 12 -9.642 1.375 -0.451
120 H ASP 13 H ASP 13 -5.317 4.128 1.130
121 HA ASP 13 HA ASP 13 -5.280 6.429 -0.350
122 1HB ASP 13 1HB ASP 13 -3.529 5.823 1.279
123 2HB ASP 13 2HB ASP 13 -2.864 4.661 0.132
124 QB ASP 13 QB ASP 13 -3.196 5.242 0.705
125 H ASN 14 H ASN 14 -3.549 3.507 -1.576
126 HA ASN 14 HA ASN 14 -4.135 4.549 -4.324
127 1HB ASN 14 2HB ASN 14 -2.093 3.464 -5.077
128 2HB ASN 14 1HB ASN 14 -1.838 2.755 -3.482
129 2HD2 ASN 14 1HD2 ASN 14 -2.660 6.091 -4.621
130 1HD2 ASN 14 2HD2 ASN 14 -1.421 6.850 -3.744
131 QB ASN 14 QB ASN 14 -1.966 3.109 -4.280
132 QD ASN 14 QD ASN 14 -2.041 6.470 -4.183
133 H MET 15 H MET 15 -5.967 2.980 -2.877
134 HA MET 15 HA MET 15 -5.937 0.451 -4.495
135 1HB MET 15 1HB MET 15 -5.346 0.271 -1.959
136 2HB MET 15 2HB MET 15 -7.065 0.568 -1.705
137 1HG MET 15 2HG MET 15 -7.357 -1.336 -3.502
138 2HG MET 15 1HG MET 15 -7.022 -1.754 -1.821
139 1HE MET 15 1HE MET 15 -6.621 -3.965 -3.121
140 2HE MET 15 2HE MET 15 -4.939 -4.500 -3.256
141 3HE MET 15 3HE MET 15 -5.563 -3.921 -1.714
142 QB MET 15 QB MET 15 -6.206 0.420 -1.832
143 QG MET 15 QG MET 15 -7.189 -1.545 -2.662
144 ME MET 15 ME MET 15 -5.708 -4.129 -2.697
145 H ARG 16 H ARG 16 -7.304 2.856 -5.206
146 HA ARG 16 HA ARG 16 -9.873 3.278 -4.374
147 1HB ARG 16 1HB ARG 16 -8.461 3.661 -6.848
148 2HB ARG 16 2HB ARG 16 -10.137 3.208 -7.168
149 1HG ARG 16 1HG ARG 16 -10.831 4.956 -5.463
150 2HG ARG 16 2HG ARG 16 -9.153 5.499 -5.446
151 1HD ARG 16 2HD ARG 16 -9.422 5.639 -8.035
152 2HD ARG 16 1HD ARG 16 -10.137 6.910 -7.043
153 HE ARG 16 HE ARG 16 -12.320 5.652 -7.289
154 1HH1 ARG 16 1HH1 ARG 16 -10.059 6.129 -9.738
155 2HH1 ARG 16 2HH1 ARG 16 -10.862 5.139 -10.911
156 1HH2 ARG 16 1HH2 ARG 16 -13.218 3.937 -8.662
157 2HH2 ARG 16 2HH2 ARG 16 -12.656 3.895 -10.299
158 QB ARG 16 QB ARG 16 -9.299 3.435 -7.008
159 QG ARG 16 QG ARG 16 -9.992 5.228 -5.454
160 QD ARG 16 QD ARG 16 -9.780 6.275 -7.539
161 QH1 ARG 16 QH1 ARG 16 -10.461 5.634 -10.324
162 QH2 ARG 16 QH2 ARG 16 -12.937 3.916 -9.481
163 H VAL 17 H VAL 17 -9.286 0.945 -7.005
164 HA VAL 17 HA VAL 17 -11.664 -0.542 -5.953
165 HB VAL 17 HB VAL 17 -11.834 -1.473 -8.317
166 1HG1 VAL 17 1HG1 VAL 17 -13.088 0.571 -7.228
167 2HG1 VAL 17 2HG1 VAL 17 -12.136 1.511 -8.376
168 3HG1 VAL 17 3HG1 VAL 17 -13.241 0.267 -8.960
169 1HG2 VAL 17 1HG2 VAL 17 -9.912 0.817 -8.839
170 2HG2 VAL 17 2HG2 VAL 17 -9.562 -0.898 -9.055
171 3HG2 VAL 17 3HG2 VAL 17 -10.756 -0.106 -10.084
172 MG1 VAL 17 MG1 VAL 17 -12.821 0.783 -8.188
173 MG2 VAL 17 MG2 VAL 17 -10.076 -0.062 -9.326
174 QG VAL 17 QG VAL 17 -11.449 0.360 -8.757
175 H GLY 18 H GLY 18 -9.330 -1.182 -4.711
176 1HA GLY 18 1HA GLY 18 -8.378 -3.638 -6.117
177 2HA GLY 18 2HA GLY 18 -7.463 -2.789 -4.874
178 QA GLY 18 QA GLY 18 -7.920 -3.213 -5.495
179 1HB PRO 19 1HB PRO 19 -10.005 -8.336 -3.856
180 2HB PRO 19 2HB PRO 19 -11.256 -7.336 -4.613
181 1HG PRO 19 2HG PRO 19 -9.955 -7.523 -6.511
182 2HG PRO 19 1HG PRO 19 -8.509 -7.961 -5.586
183 1HD PRO 19 1HD PRO 19 -7.799 -5.795 -5.872
184 2HD PRO 19 2HD PRO 19 -9.379 -5.303 -6.519
185 QB PRO 19 QB PRO 19 -10.630 -7.836 -4.234
186 QG PRO 19 QG PRO 19 -9.232 -7.742 -6.048
187 QD PRO 19 QD PRO 19 -8.589 -5.549 -6.195
188 H ARG 20 H ARG 20 -9.940 -7.948 -1.578
189 HA ARG 20 HA ARG 20 -7.051 -7.637 -0.888
190 1HB ARG 20 1HB ARG 20 -8.576 -6.341 0.686
191 2HB ARG 20 2HB ARG 20 -9.242 -7.896 1.187
192 1HG ARG 20 1HG ARG 20 -7.520 -7.468 2.756
193 2HG ARG 20 2HG ARG 20 -6.796 -8.598 1.609
194 1HD ARG 20 1HD ARG 20 -5.385 -7.019 0.736
195 2HD ARG 20 2HD ARG 20 -6.549 -5.711 0.949
196 HE ARG 20 HE ARG 20 -5.810 -5.486 3.246
197 1HH1 ARG 20 1HH1 ARG 20 -5.102 -7.852 4.453
198 2HH1 ARG 20 2HH1 ARG 20 -3.397 -8.054 4.219
199 1HH2 ARG 20 1HH2 ARG 20 -3.219 -5.759 1.621
200 2HH2 ARG 20 2HH2 ARG 20 -2.330 -6.867 2.612
201 QB ARG 20 QB ARG 20 -8.909 -7.119 0.936
202 QG ARG 20 QG ARG 20 -7.158 -8.033 2.183
203 QD ARG 20 QD ARG 20 -5.967 -6.365 0.842
204 QH1 ARG 20 QH1 ARG 20 -4.250 -7.953 4.336
205 QH2 ARG 20 QH2 ARG 20 -2.774 -6.313 2.117
206 H THR 21 H THR 21 -9.825 -9.534 0.328
207 HA THR 21 HA THR 21 -8.488 -12.011 -0.591
208 HB THR 21 HB THR 21 -9.148 -12.863 1.863
209 HG1 THR 21 HG1 THR 21 -9.616 -11.225 3.070
210 1HG2 THR 21 1HG2 THR 21 -6.904 -12.940 0.763
211 2HG2 THR 21 2HG2 THR 21 -6.623 -11.284 1.301
212 3HG2 THR 21 3HG2 THR 21 -6.810 -12.576 2.487
213 MG THR 21 MG THR 21 -6.779 -12.267 1.517
214 H TYR 22 H TYR 22 -9.981 -13.881 -0.464
215 HA TYR 22 HA TYR 22 -12.846 -12.997 -0.499
216 1HB TYR 22 2HB TYR 22 -13.250 -14.551 -2.279
217 2HB TYR 22 1HB TYR 22 -11.669 -15.302 -2.069
218 HD1 TYR 22 HD1 TYR 22 -9.586 -13.804 -2.431
219 HD2 TYR 22 HD2 TYR 22 -13.527 -12.771 -3.793
220 HE1 TYR 22 HE1 TYR 22 -8.605 -12.203 -4.052
221 HE2 TYR 22 HE2 TYR 22 -12.545 -11.170 -5.413
222 HH TYR 22 HH TYR 22 -9.018 -10.848 -5.774
223 QB TYR 22 QB TYR 22 -12.460 -14.926 -2.174
224 QD TYR 22 QD TYR 22 -11.556 -13.288 -3.112
225 QE TYR 22 QE TYR 22 -10.575 -11.687 -4.733
226 QR TYR 22 QR TYR 22 -11.066 -12.487 -3.922
227 H ALA 23 H ALA 23 -10.954 -16.042 -0.234
228 HA ALA 23 HA ALA 23 -12.817 -17.634 1.003
229 1HB ALA 23 2HB ALA 23 -10.269 -17.837 2.407
230 2HB ALA 23 1HB ALA 23 -10.067 -17.752 0.657
231 3HB ALA 23 3HB ALA 23 -11.069 -19.017 1.368
232 MB ALA 23 MB ALA 23 -10.468 -18.202 1.477
233 H ASP 24 H ASP 24 -11.194 -14.912 2.352
234 HA ASP 24 HA ASP 24 -11.830 -15.396 5.124
235 1HB ASP 24 1HB ASP 24 -11.155 -12.847 3.632
236 2HB ASP 24 2HB ASP 24 -11.323 -12.946 5.386
237 QB ASP 24 QB ASP 24 -11.239 -12.897 4.509
238 H VAL 25 H VAL 25 -13.049 -12.555 3.378
239 HA VAL 25 HA VAL 25 -15.327 -12.121 4.885
240 HB VAL 25 HB VAL 25 -14.999 -11.799 1.886
241 1HG1 VAL 25 1HG1 VAL 25 -17.146 -10.802 3.778
242 2HG1 VAL 25 2HG1 VAL 25 -16.887 -10.139 2.164
243 3HG1 VAL 25 3HG1 VAL 25 -17.368 -11.825 2.358
244 1HG2 VAL 25 1HG2 VAL 25 -14.749 -9.882 4.227
245 2HG2 VAL 25 2HG2 VAL 25 -13.425 -10.484 3.229
246 3HG2 VAL 25 3HG2 VAL 25 -14.642 -9.416 2.530
247 MG1 VAL 25 MG1 VAL 25 -17.134 -10.922 2.767
248 MG2 VAL 25 MG2 VAL 25 -14.272 -9.927 3.328
249 QG VAL 25 QG VAL 25 -15.703 -10.425 3.048
250 H ARG 26 H ARG 26 -15.167 -14.188 1.971
251 HA ARG 26 HA ARG 26 -17.808 -15.105 1.918
252 1HB ARG 26 1HB ARG 26 -15.179 -16.266 1.120
253 2HB ARG 26 2HB ARG 26 -16.559 -17.364 1.194
254 1HG ARG 26 1HG ARG 26 -16.932 -14.728 -0.169
255 2HG ARG 26 2HG ARG 26 -16.030 -15.983 -1.017
256 1HD ARG 26 1HD ARG 26 -18.228 -17.336 0.037
257 2HD ARG 26 2HD ARG 26 -18.895 -15.797 -0.509
258 HE ARG 26 HE ARG 26 -17.800 -17.900 -2.224
259 1HH1 ARG 26 1HH1 ARG 26 -16.625 -14.980 -2.556
260 2HH1 ARG 26 2HH1 ARG 26 -17.563 -14.461 -3.918
261 1HH2 ARG 26 1HH2 ARG 26 -19.834 -17.069 -3.682
262 2HH2 ARG 26 2HH2 ARG 26 -19.380 -15.644 -4.554
263 QB ARG 26 QB ARG 26 -15.869 -16.815 1.157
264 QG ARG 26 QG ARG 26 -16.481 -15.355 -0.593
265 QD ARG 26 QD ARG 26 -18.561 -16.566 -0.236
266 QH1 ARG 26 QH1 ARG 26 -17.094 -14.720 -3.237
267 QH2 ARG 26 QH2 ARG 26 -19.607 -16.357 -4.118
268 H ASP 27 H ASP 27 -15.116 -16.365 3.889
269 HA ASP 27 HA ASP 27 -16.610 -18.491 5.100
270 1HB ASP 27 1HB ASP 27 -14.096 -18.255 5.143
271 2HB ASP 27 2HB ASP 27 -14.296 -16.959 6.323
272 QB ASP 27 QB ASP 27 -14.196 -17.607 5.733
273 H GLU 28 H GLU 28 -16.223 -15.070 5.925
274 HA GLU 28 HA GLU 28 -17.334 -15.150 8.525
275 1HB GLU 28 1HB GLU 28 -16.843 -13.122 6.491
276 2HB GLU 28 2HB GLU 28 -18.349 -12.809 7.353
277 1HG GLU 28 2HG GLU 28 -16.526 -13.577 9.345
278 2HG GLU 28 1HG GLU 28 -17.109 -11.943 9.027
279 QB GLU 28 QB GLU 28 -17.596 -12.966 6.922
280 QG GLU 28 QG GLU 28 -16.818 -12.760 9.186
281 H ILE 29 H ILE 29 -18.891 -15.187 5.346
282 HA ILE 29 HA ILE 29 -21.564 -15.086 6.552
283 HB ILE 29 HB ILE 29 -20.713 -14.308 4.137
284 1HG1 ILE 29 2HG1 ILE 29 -23.134 -14.602 3.365
285 2HG1 ILE 29 1HG1 ILE 29 -22.906 -13.760 4.897
286 1HG2 ILE 29 1HG2 ILE 29 -20.251 -16.853 3.681
287 2HG2 ILE 29 2HG2 ILE 29 -21.989 -16.919 3.385
288 3HG2 ILE 29 3HG2 ILE 29 -20.969 -15.857 2.415
289 1HD1 ILE 29 1HD1 ILE 29 -23.270 -15.958 6.070
290 2HD1 ILE 29 2HD1 ILE 29 -24.682 -15.381 5.187
291 3HD1 ILE 29 3HD1 ILE 29 -23.681 -16.665 4.508
292 MG ILE 29 MG ILE 29 -21.070 -16.543 3.161
293 MD ILE 29 MD ILE 29 -23.878 -16.002 5.255
294 QG ILE 29 QG ILE 29 -23.020 -14.181 4.131
295 H ASN 30 H ASN 30 -19.774 -17.226 7.347
296 HA ASN 30 HA ASN 30 -21.497 -19.542 6.666
297 1HB ASN 30 1HB ASN 30 -19.257 -19.670 5.512
298 2HB ASN 30 2HB ASN 30 -18.499 -19.672 7.104
299 2HD2 ASN 30 1HD2 ASN 30 -18.165 -21.902 5.393
300 1HD2 ASN 30 2HD2 ASN 30 -19.007 -23.228 6.037
301 QB ASN 30 QB ASN 30 -18.878 -19.671 6.308
302 QD ASN 30 QD ASN 30 -18.586 -22.565 5.715
303 H LYS 31 H LYS 31 -18.795 -18.756 8.890
304 HA LYS 31 HA LYS 31 -20.174 -20.130 11.080
305 1HB LYS 31 1HB LYS 31 -17.535 -19.683 10.525
306 2HB LYS 31 2HB LYS 31 -17.848 -18.414 11.710
307 1HG LYS 31 1HG LYS 31 -18.471 -21.359 12.083
308 2HG LYS 31 2HG LYS 31 -17.116 -20.499 12.816
309 1HD LYS 31 1HD LYS 31 -18.933 -18.888 13.748
310 2HD LYS 31 2HD LYS 31 -20.059 -20.192 13.373
311 1HE LYS 31 1HE LYS 31 -17.553 -20.640 15.003
312 2HE LYS 31 2HE LYS 31 -19.092 -20.193 15.740
313 1HZ LYS 31 1HZ LYS 31 -19.882 -22.175 14.181
314 2HZ LYS 31 2HZ LYS 31 -18.291 -22.689 14.479
315 3HZ LYS 31 3HZ LYS 31 -19.350 -22.419 15.775
316 QB LYS 31 QB LYS 31 -17.692 -19.048 11.117
317 QD LYS 31 QD LYS 31 -19.496 -19.540 13.561
318 QG LYS 31 QG LYS 31 -17.793 -20.929 12.449
319 QE LYS 31 QE LYS 31 -18.323 -20.416 15.372
320 QZ LYS 31 QZ LYS 31 -19.175 -22.428 14.812
321 H ARG 32 H ARG 32 -20.071 -16.917 9.800
322 HA ARG 32 HA ARG 32 -20.919 -15.705 12.365
323 1HB ARG 32 1HB ARG 32 -19.443 -14.730 10.258
324 2HB ARG 32 2HB ARG 32 -21.042 -14.064 9.919
325 1HG ARG 32 1HG ARG 32 -19.741 -13.877 12.645
326 2HG ARG 32 2HG ARG 32 -19.550 -12.631 11.410
327 1HD ARG 32 1HD ARG 32 -21.921 -12.211 11.358
328 2HD ARG 32 2HD ARG 32 -22.245 -13.611 12.380
329 HE ARG 32 HE ARG 32 -21.514 -12.354 14.274
330 1HH1 ARG 32 1HH1 ARG 32 -19.303 -10.906 14.207
331 2HH1 ARG 32 2HH1 ARG 32 -19.678 -9.310 13.648
332 1HH2 ARG 32 1HH2 ARG 32 -22.730 -10.221 12.277
333 2HH2 ARG 32 2HH2 ARG 32 -21.619 -8.922 12.556
334 QB ARG 32 QB ARG 32 -20.243 -14.397 10.088
335 QG ARG 32 QG ARG 32 -19.646 -13.254 12.027
336 QD ARG 32 QD ARG 32 -22.083 -12.911 11.869
337 QH1 ARG 32 QH1 ARG 32 -19.490 -10.108 13.928
338 QH2 ARG 32 QH2 ARG 32 -22.174 -9.572 12.416
339 H GLY 33 H GLY 33 -22.798 -17.500 11.816
340 1HA GLY 33 1HA GLY 33 -25.071 -15.846 10.839
341 2HA GLY 33 2HA GLY 33 -24.850 -17.458 10.161
342 QA GLY 33 QA GLY 33 -24.960 -16.652 10.500
343 H ARG 34 H ARG 34 -24.175 -18.974 12.354
344 HA ARG 34 HA ARG 34 -26.539 -18.603 14.154
345 1HB ARG 34 1HB ARG 34 -26.491 -20.615 12.506
346 2HB ARG 34 2HB ARG 34 -25.268 -21.279 13.591
347 1HG ARG 34 1HG ARG 34 -26.833 -21.061 15.492
348 2HG ARG 34 2HG ARG 34 -28.060 -20.408 14.405
349 1HD ARG 34 2HD ARG 34 -27.890 -22.539 13.066
350 2HD ARG 34 1HD ARG 34 -28.519 -22.763 14.699
351 HE ARG 34 HE ARG 34 -25.721 -23.422 13.874
352 1HH1 ARG 34 1HH1 ARG 34 -24.843 -23.897 16.150
353 2HH1 ARG 34 2HH1 ARG 34 -25.758 -25.101 16.996
354 1HH2 ARG 34 1HH2 ARG 34 -28.479 -24.915 14.853
355 2HH2 ARG 34 2HH2 ARG 34 -27.817 -25.678 16.261
356 QB ARG 34 QB ARG 34 -25.879 -20.947 13.049
357 QG ARG 34 QG ARG 34 -27.447 -20.734 14.948
358 QD ARG 34 QD ARG 34 -28.205 -22.651 13.883
359 QH1 ARG 34 QH1 ARG 34 -25.301 -24.499 16.573
360 QH2 ARG 34 QH2 ARG 34 -28.148 -25.296 15.557
No H/Q in entry = 360
Start of MODEL 16
1 H1 MET 1 H1 MET 1 -10.628 15.518 6.009
2 H2 MET 1 H2 MET 1 -9.063 16.180 6.037
3 H3 MET 1 H3 MET 1 -9.321 14.580 6.549
4 HA MET 1 HA MET 1 -9.507 15.331 8.611
5 1HB MET 1 1HB MET 1 -9.489 17.991 7.192
6 2HB MET 1 2HB MET 1 -9.763 17.902 8.932
7 1HG MET 1 1HG MET 1 -7.545 16.206 8.251
8 2HG MET 1 2HG MET 1 -7.276 17.808 7.564
9 1HE MET 1 1HE MET 1 -6.853 19.581 8.350
10 2HE MET 1 2HE MET 1 -7.548 20.271 9.815
11 3HE MET 1 3HE MET 1 -5.872 19.732 9.814
12 QB MET 1 QB MET 1 -9.626 17.946 8.062
13 QG MET 1 QG MET 1 -7.411 17.007 7.908
14 ME MET 1 ME MET 1 -6.758 19.861 9.327
15 H SER 2 H SER 2 -11.774 14.286 7.468
16 HA SER 2 HA SER 2 -13.916 15.988 8.671
17 1HB SER 2 1HB SER 2 -13.671 15.140 5.948
18 2HB SER 2 2HB SER 2 -15.042 14.297 6.665
19 HG SER 2 HG SER 2 -15.830 16.321 7.350
20 QB SER 2 QB SER 2 -14.356 14.719 6.307
21 H TRP 3 H TRP 3 -12.591 14.076 10.158
22 HA TRP 3 HA TRP 3 -12.823 11.960 11.230
23 1HB TRP 3 1HB TRP 3 -14.941 13.752 11.710
24 2HB TRP 3 2HB TRP 3 -15.692 12.167 11.513
25 HD1 TRP 3 HD1 TRP 3 -15.723 10.734 13.609
26 HE1 TRP 3 HE1 TRP 3 -14.375 10.640 15.803
27 HE3 TRP 3 HE3 TRP 3 -12.262 14.368 12.674
28 HZ2 TRP 3 HZ2 TRP 3 -12.123 11.934 17.003
29 HZ3 TRP 3 HZ3 TRP 3 -10.527 14.917 14.355
30 HH2 TRP 3 HH2 TRP 3 -10.454 13.705 16.519
31 QB TRP 3 QB TRP 3 -15.317 12.959 11.612
32 H ALA 4 H ALA 4 -12.632 11.151 8.644
33 HA ALA 4 HA ALA 4 -13.951 8.733 8.445
34 1HB ALA 4 3HB ALA 4 -16.129 9.346 8.192
35 2HB ALA 4 1HB ALA 4 -15.705 10.998 7.742
36 3HB ALA 4 2HB ALA 4 -15.653 9.714 6.534
37 MB ALA 4 MB ALA 4 -15.829 10.019 7.490
38 H LEU 5 H LEU 5 -13.827 11.413 6.066
39 HA LEU 5 HA LEU 5 -12.839 9.894 3.915
40 1HB LEU 5 1HB LEU 5 -13.377 12.587 4.383
41 2HB LEU 5 2HB LEU 5 -11.653 12.562 4.013
42 HG LEU 5 HG LEU 5 -13.111 10.798 2.231
43 1HD1 LEU 5 1HD1 LEU 5 -14.377 13.335 2.880
44 2HD1 LEU 5 2HD1 LEU 5 -13.909 13.272 1.182
45 3HD1 LEU 5 3HD1 LEU 5 -14.964 12.028 1.852
46 1HD2 LEU 5 1HD2 LEU 5 -10.996 12.806 2.221
47 2HD2 LEU 5 2HD2 LEU 5 -11.231 11.430 1.144
48 3HD2 LEU 5 3HD2 LEU 5 -12.041 12.960 0.808
49 MD1 LEU 5 MD1 LEU 5 -14.417 12.878 1.971
50 MD2 LEU 5 MD2 LEU 5 -11.423 12.399 1.391
51 QB LEU 5 QB LEU 5 -12.515 12.575 4.198
52 QD LEU 5 QD LEU 5 -12.920 12.638 1.681
53 H GLU 6 H GLU 6 -11.100 11.349 6.624
54 HA GLU 6 HA GLU 6 -8.453 10.991 5.604
55 1HB GLU 6 2HB GLU 6 -9.075 12.366 7.619
56 2HB GLU 6 1HB GLU 6 -7.716 11.276 7.894
57 1HG GLU 6 1HG GLU 6 -10.568 10.504 8.545
58 2HG GLU 6 2HG GLU 6 -9.082 9.725 9.089
59 QB GLU 6 QB GLU 6 -8.395 11.821 7.756
60 QG GLU 6 QG GLU 6 -9.825 10.115 8.817
61 H MET 7 H MET 7 -10.625 8.818 7.375
62 HA MET 7 HA MET 7 -8.594 6.743 7.658
63 1HB MET 7 1HB MET 7 -10.701 7.119 9.123
64 2HB MET 7 2HB MET 7 -11.571 6.286 7.833
65 1HG MET 7 1HG MET 7 -10.679 4.265 8.371
66 2HG MET 7 2HG MET 7 -9.083 4.948 8.681
67 1HE MET 7 1HE MET 7 -12.694 4.740 9.821
68 2HE MET 7 2HE MET 7 -11.993 3.188 10.268
69 3HE MET 7 3HE MET 7 -12.578 4.291 11.521
70 QB MET 7 QB MET 7 -11.136 6.703 8.478
71 QG MET 7 QG MET 7 -9.881 4.606 8.526
72 ME MET 7 ME MET 7 -12.422 4.073 10.537
73 H ALA 8 H ALA 8 -11.669 6.830 5.816
74 HA ALA 8 HA ALA 8 -11.357 4.554 4.274
75 1HB ALA 8 3HB ALA 8 -13.233 5.376 3.349
76 2HB ALA 8 2HB ALA 8 -12.287 6.609 2.513
77 3HB ALA 8 1HB ALA 8 -12.927 6.930 4.125
78 MB ALA 8 MB ALA 8 -12.816 6.305 3.329
79 H ASP 9 H ASP 9 -9.890 7.743 3.633
80 HA ASP 9 HA ASP 9 -8.708 7.070 1.129
81 1HB ASP 9 1HB ASP 9 -8.575 9.241 3.020
82 2HB ASP 9 2HB ASP 9 -6.949 8.836 2.472
83 QB ASP 9 QB ASP 9 -7.762 9.038 2.746
84 H THR 10 H THR 10 -7.474 6.723 4.454
85 HA THR 10 HA THR 10 -4.844 5.931 3.916
86 HB THR 10 HB THR 10 -6.465 4.460 5.978
87 HG1 THR 10 HG1 THR 10 -5.989 7.195 5.750
88 1HG2 THR 10 1HG2 THR 10 -3.969 4.132 5.606
89 2HG2 THR 10 2HG2 THR 10 -3.757 5.793 6.160
90 3HG2 THR 10 3HG2 THR 10 -4.441 4.582 7.243
91 MG THR 10 MG THR 10 -4.056 4.836 6.336
92 H PHE 11 H PHE 11 -7.787 3.922 3.849
93 HA PHE 11 HA PHE 11 -6.316 1.505 3.168
94 1HB PHE 11 1HB PHE 11 -8.997 2.191 3.882
95 2HB PHE 11 2HB PHE 11 -9.047 1.313 2.352
96 HD1 PHE 11 HD1 PHE 11 -7.006 -0.628 2.392
97 HD2 PHE 11 HD2 PHE 11 -9.350 0.785 5.702
98 HE1 PHE 11 HE1 PHE 11 -6.583 -2.751 3.598
99 HE2 PHE 11 HE2 PHE 11 -8.929 -1.340 6.908
100 HZ PHE 11 HZ PHE 11 -7.544 -3.109 5.857
101 QB PHE 11 QB PHE 11 -9.022 1.752 3.117
102 QD PHE 11 QD PHE 11 -8.178 0.078 4.047
103 QE PHE 11 QE PHE 11 -7.756 -2.046 5.253
104 QR PHE 11 QR PHE 11 -7.882 -1.409 4.891
105 H LEU 12 H LEU 12 -8.294 3.829 1.324
106 HA LEU 12 HA LEU 12 -7.928 2.452 -1.188
107 1HB LEU 12 1HB LEU 12 -8.914 5.185 -0.397
108 2HB LEU 12 2HB LEU 12 -8.663 4.777 -2.095
109 HG LEU 12 HG LEU 12 -10.075 2.652 -0.706
110 1HD1 LEU 12 1HD1 LEU 12 -10.979 5.463 -0.321
111 2HD1 LEU 12 2HD1 LEU 12 -12.215 4.286 -0.768
112 3HD1 LEU 12 3HD1 LEU 12 -11.254 4.044 0.691
113 1HD2 LEU 12 1HD2 LEU 12 -9.998 4.017 -3.238
114 2HD2 LEU 12 2HD2 LEU 12 -10.729 2.458 -2.852
115 3HD2 LEU 12 3HD2 LEU 12 -11.667 3.941 -2.676
116 MD1 LEU 12 MD1 LEU 12 -11.483 4.597 -0.133
117 MD2 LEU 12 MD2 LEU 12 -10.798 3.472 -2.922
118 QB LEU 12 QB LEU 12 -8.789 4.981 -1.246
119 QD LEU 12 QD LEU 12 -11.140 4.035 -1.528
120 H ASP 13 H ASP 13 -5.737 4.098 0.703
121 HA ASP 13 HA ASP 13 -4.317 5.709 -1.176
122 1HB ASP 13 1HB ASP 13 -3.983 4.899 1.516
123 2HB ASP 13 2HB ASP 13 -2.505 4.436 0.671
124 QB ASP 13 QB ASP 13 -3.244 4.668 1.094
125 H ASN 14 H ASN 14 -3.565 2.370 -0.098
126 HA ASN 14 HA ASN 14 -1.486 1.890 -1.956
127 1HB ASN 14 1HB ASN 14 -2.243 -0.573 -1.678
128 2HB ASN 14 2HB ASN 14 -1.727 0.293 -0.230
129 2HD2 ASN 14 1HD2 ASN 14 -4.706 -0.510 -2.085
130 1HD2 ASN 14 2HD2 ASN 14 -5.725 -0.539 -0.728
131 QB ASN 14 QB ASN 14 -1.985 -0.140 -0.954
132 QD ASN 14 QD ASN 14 -5.215 -0.525 -1.407
133 H MET 15 H MET 15 -4.852 2.237 -2.515
134 HA MET 15 HA MET 15 -4.440 1.316 -5.324
135 1HB MET 15 1HB MET 15 -6.154 0.106 -3.383
136 2HB MET 15 2HB MET 15 -7.174 0.902 -4.581
137 1HG MET 15 2HG MET 15 -5.296 -0.262 -6.189
138 2HG MET 15 1HG MET 15 -6.845 -1.001 -5.784
139 1HE MET 15 1HE MET 15 -3.385 -0.856 -5.847
140 2HE MET 15 2HE MET 15 -2.664 -2.051 -4.760
141 3HE MET 15 3HE MET 15 -3.466 -2.572 -6.241
142 QB MET 15 QB MET 15 -6.664 0.504 -3.982
143 QG MET 15 QG MET 15 -6.070 -0.632 -5.987
144 ME MET 15 ME MET 15 -3.172 -1.827 -5.616
145 H ARG 16 H ARG 16 -4.100 3.861 -5.060
146 HA ARG 16 HA ARG 16 -6.738 5.214 -5.391
147 1HB ARG 16 1HB ARG 16 -5.121 6.133 -3.682
148 2HB ARG 16 2HB ARG 16 -4.011 6.487 -5.006
149 1HG ARG 16 1HG ARG 16 -6.438 7.545 -5.872
150 2HG ARG 16 2HG ARG 16 -6.389 7.945 -4.155
151 1HD ARG 16 1HD ARG 16 -3.929 8.674 -4.650
152 2HD ARG 16 2HD ARG 16 -4.466 8.730 -6.329
153 HE ARG 16 HE ARG 16 -5.988 10.245 -4.265
154 1HH1 ARG 16 1HH1 ARG 16 -6.707 10.553 -7.119
155 2HH1 ARG 16 2HH1 ARG 16 -5.829 11.972 -7.584
156 1HH2 ARG 16 1HH2 ARG 16 -3.698 11.870 -4.850
157 2HH2 ARG 16 2HH2 ARG 16 -4.121 12.713 -6.302
158 QB ARG 16 QB ARG 16 -4.566 6.310 -4.344
159 QG ARG 16 QG ARG 16 -6.414 7.745 -5.013
160 QD ARG 16 QD ARG 16 -4.197 8.702 -5.490
161 QH1 ARG 16 QH1 ARG 16 -6.268 11.263 -7.351
162 QH2 ARG 16 QH2 ARG 16 -3.910 12.291 -5.576
163 H VAL 17 H VAL 17 -6.601 3.996 -7.570
164 HA VAL 17 HA VAL 17 -6.088 3.957 -9.867
165 HB VAL 17 HB VAL 17 -6.480 6.061 -10.968
166 1HG1 VAL 17 1HG1 VAL 17 -8.012 5.572 -8.434
167 2HG1 VAL 17 2HG1 VAL 17 -8.387 6.992 -9.410
168 3HG1 VAL 17 3HG1 VAL 17 -8.534 5.379 -10.105
169 1HG2 VAL 17 1HG2 VAL 17 -4.799 7.279 -9.430
170 2HG2 VAL 17 2HG2 VAL 17 -6.215 8.189 -9.951
171 3HG2 VAL 17 3HG2 VAL 17 -6.160 7.500 -8.331
172 MG1 VAL 17 MG1 VAL 17 -8.311 5.981 -9.316
173 MG2 VAL 17 MG2 VAL 17 -5.725 7.656 -9.237
174 QG VAL 17 QG VAL 17 -7.018 6.818 -9.277
175 H GLY 18 H GLY 18 -3.823 3.791 -8.081
176 1HA GLY 18 1HA GLY 18 -1.587 3.585 -9.407
177 2HA GLY 18 2HA GLY 18 -1.740 5.337 -9.557
178 QA GLY 18 QA GLY 18 -1.664 4.461 -9.482
179 1HB PRO 19 1HB PRO 19 2.507 3.300 -5.772
180 2HB PRO 19 2HB PRO 19 1.182 2.125 -5.710
181 1HG PRO 19 2HG PRO 19 1.795 1.641 -7.885
182 2HG PRO 19 1HG PRO 19 2.636 3.188 -8.086
183 1HD PRO 19 1HD PRO 19 0.793 3.913 -9.253
184 2HD PRO 19 2HD PRO 19 -0.145 2.485 -8.767
185 QB PRO 19 QB PRO 19 1.844 2.713 -5.741
186 QG PRO 19 QG PRO 19 2.215 2.415 -7.985
187 QD PRO 19 QD PRO 19 0.324 3.199 -9.010
188 H ARG 20 H ARG 20 0.353 5.894 -4.259
189 HA ARG 20 HA ARG 20 1.444 8.180 -5.580
190 1HB ARG 20 1HB ARG 20 1.498 9.206 -3.381
191 2HB ARG 20 2HB ARG 20 0.035 8.226 -3.493
192 1HG ARG 20 1HG ARG 20 1.176 6.379 -2.322
193 2HG ARG 20 2HG ARG 20 2.642 7.353 -2.211
194 1HD ARG 20 1HD ARG 20 1.150 9.104 -1.029
195 2HD ARG 20 2HD ARG 20 -0.008 7.789 -0.837
196 HE ARG 20 HE ARG 20 2.716 7.171 0.075
197 1HH1 ARG 20 1HH1 ARG 20 1.240 5.547 1.570
198 2HH1 ARG 20 2HH1 ARG 20 0.620 6.429 2.924
199 1HH2 ARG 20 1HH2 ARG 20 1.194 9.538 1.494
200 2HH2 ARG 20 2HH2 ARG 20 0.597 8.692 2.882
201 QB ARG 20 QB ARG 20 0.767 8.716 -3.437
202 QG ARG 20 QG ARG 20 1.909 6.866 -2.266
203 QD ARG 20 QD ARG 20 0.571 8.446 -0.933
204 QH1 ARG 20 QH1 ARG 20 0.930 5.988 2.247
205 QH2 ARG 20 QH2 ARG 20 0.895 9.115 2.188
206 H THR 21 H THR 21 2.940 5.395 -4.278
207 HA THR 21 HA THR 21 5.602 6.701 -4.605
208 HB THR 21 HB THR 21 6.273 5.044 -2.663
209 HG1 THR 21 HG1 THR 21 4.517 4.904 -1.172
210 1HG2 THR 21 1HG2 THR 21 5.618 7.782 -2.820
211 2HG2 THR 21 2HG2 THR 21 4.852 7.189 -1.346
212 3HG2 THR 21 3HG2 THR 21 6.588 6.989 -1.579
213 MG THR 21 MG THR 21 5.686 7.320 -1.915
214 H TYR 22 H TYR 22 7.068 5.432 -5.719
215 HA TYR 22 HA TYR 22 6.042 2.854 -6.781
216 1HB TYR 22 1HB TYR 22 8.682 3.413 -7.741
217 2HB TYR 22 2HB TYR 22 7.174 3.432 -8.649
218 HD1 TYR 22 HD1 TYR 22 5.832 5.546 -8.796
219 HD2 TYR 22 HD2 TYR 22 9.752 5.438 -7.039
220 HE1 TYR 22 HE1 TYR 22 5.989 8.013 -8.994
221 HE2 TYR 22 HE2 TYR 22 9.908 7.904 -7.238
222 HH TYR 22 HH TYR 22 7.452 9.772 -8.936
223 QB TYR 22 QB TYR 22 7.928 3.423 -8.195
224 QD TYR 22 QD TYR 22 7.792 5.492 -7.918
225 QE TYR 22 QE TYR 22 7.948 7.959 -8.116
226 QR TYR 22 QR TYR 22 7.870 6.725 -8.017
227 H ALA 23 H ALA 23 9.023 4.008 -5.167
228 HA ALA 23 HA ALA 23 10.282 1.570 -4.812
229 1HB ALA 23 1HB ALA 23 9.998 3.974 -3.055
230 2HB ALA 23 3HB ALA 23 11.442 3.351 -3.853
231 3HB ALA 23 2HB ALA 23 10.809 2.545 -2.417
232 MB ALA 23 MB ALA 23 10.750 3.290 -3.109
233 H ASP 24 H ASP 24 7.943 2.993 -2.679
234 HA ASP 24 HA ASP 24 7.477 0.979 -0.811
235 1HB ASP 24 1HB ASP 24 6.533 3.388 -0.976
236 2HB ASP 24 2HB ASP 24 5.219 2.649 -1.892
237 QB ASP 24 QB ASP 24 5.876 3.018 -1.434
238 H VAL 25 H VAL 25 5.814 1.351 -3.983
239 HA VAL 25 HA VAL 25 4.507 -1.250 -3.401
240 HB VAL 25 HB VAL 25 4.187 0.630 -5.764
241 1HG1 VAL 25 1HG1 VAL 25 2.737 -1.917 -4.988
242 2HG1 VAL 25 2HG1 VAL 25 2.169 -0.795 -6.223
243 3HG1 VAL 25 3HG1 VAL 25 3.697 -1.646 -6.442
244 1HG2 VAL 25 1HG2 VAL 25 2.887 0.378 -3.110
245 2HG2 VAL 25 2HG2 VAL 25 3.010 1.779 -4.173
246 3HG2 VAL 25 3HG2 VAL 25 1.785 0.548 -4.477
247 MG1 VAL 25 MG1 VAL 25 2.867 -1.452 -5.884
248 MG2 VAL 25 MG2 VAL 25 2.561 0.902 -3.920
249 QG VAL 25 QG VAL 25 2.714 -0.275 -4.902
250 H ARG 26 H ARG 26 7.379 -0.209 -4.746
251 HA ARG 26 HA ARG 26 7.535 -2.057 -6.946
252 1HB ARG 26 1HB ARG 26 8.914 0.158 -6.354
253 2HB ARG 26 2HB ARG 26 10.027 -1.049 -5.742
254 1HG ARG 26 1HG ARG 26 10.545 -1.805 -7.819
255 2HG ARG 26 2HG ARG 26 8.868 -1.719 -8.354
256 1HD ARG 26 1HD ARG 26 9.181 0.298 -9.313
257 2HD ARG 26 2HD ARG 26 9.994 0.929 -7.880
258 HE ARG 26 HE ARG 26 12.092 -0.146 -8.761
259 1HH1 ARG 26 1HH1 ARG 26 9.837 1.416 -10.713
260 2HH1 ARG 26 2HH1 ARG 26 10.567 0.963 -12.217
261 1HH2 ARG 26 1HH2 ARG 26 12.863 -1.185 -10.761
262 2HH2 ARG 26 2HH2 ARG 26 12.274 -0.510 -12.244
263 QB ARG 26 QB ARG 26 9.470 -0.445 -6.048
264 QG ARG 26 QG ARG 26 9.707 -1.762 -8.086
265 QD ARG 26 QD ARG 26 9.588 0.614 -8.597
266 QH1 ARG 26 QH1 ARG 26 10.202 1.190 -11.465
267 QH2 ARG 26 QH2 ARG 26 12.569 -0.848 -11.503
268 H ASP 27 H ASP 27 9.521 -2.155 -3.943
269 HA ASP 27 HA ASP 27 10.683 -4.721 -4.249
270 1HB ASP 27 1HB ASP 27 10.991 -3.557 -1.997
271 2HB ASP 27 2HB ASP 27 9.423 -4.196 -1.504
272 QB ASP 27 QB ASP 27 10.207 -3.877 -1.751
273 H GLU 28 H GLU 28 7.369 -4.086 -3.703
274 HA GLU 28 HA GLU 28 6.879 -6.967 -3.790
275 1HB GLU 28 1HB GLU 28 5.252 -4.687 -3.096
276 2HB GLU 28 2HB GLU 28 4.598 -5.343 -4.594
277 1HG GLU 28 1HG GLU 28 4.950 -6.743 -1.940
278 2HG GLU 28 2HG GLU 28 3.458 -6.503 -2.849
279 QB GLU 28 QB GLU 28 4.925 -5.015 -3.845
280 QG GLU 28 QG GLU 28 4.204 -6.623 -2.394
281 H ILE 29 H ILE 29 8.497 -6.838 -5.381
282 HA ILE 29 HA ILE 29 8.902 -6.842 -7.720
283 HB ILE 29 HB ILE 29 7.650 -4.132 -7.599
284 1HG1 ILE 29 1HG1 ILE 29 7.073 -6.000 -9.807
285 2HG1 ILE 29 2HG1 ILE 29 6.529 -6.546 -8.220
286 1HG2 ILE 29 1HG2 ILE 29 9.797 -5.169 -9.314
287 2HG2 ILE 29 2HG2 ILE 29 8.433 -4.488 -10.202
288 3HG2 ILE 29 3HG2 ILE 29 9.296 -3.504 -9.019
289 1HD1 ILE 29 1HD1 ILE 29 5.973 -3.711 -8.714
290 2HD1 ILE 29 2HD1 ILE 29 5.161 -4.786 -9.851
291 3HD1 ILE 29 3HD1 ILE 29 4.902 -4.978 -8.117
292 MG ILE 29 MG ILE 29 9.175 -4.387 -9.512
293 MD ILE 29 MD ILE 29 5.345 -4.492 -8.894
294 QG ILE 29 QG ILE 29 6.801 -6.273 -9.013
295 H ASN 30 H ASN 30 9.790 -3.583 -7.151
296 HA ASN 30 HA ASN 30 12.284 -4.575 -5.825
297 1HB ASN 30 1HB ASN 30 12.171 -2.595 -8.067
298 2HB ASN 30 2HB ASN 30 13.617 -3.091 -7.196
299 2HD2 ASN 30 1HD2 ASN 30 14.022 -3.681 -9.719
300 1HD2 ASN 30 2HD2 ASN 30 13.651 -5.286 -10.127
301 QB ASN 30 QB ASN 30 12.894 -2.843 -7.631
302 QD ASN 30 QD ASN 30 13.836 -4.483 -9.923
303 H LYS 31 H LYS 31 11.345 -3.581 -3.826
304 HA LYS 31 HA LYS 31 12.333 -1.685 -2.445
305 1HB LYS 31 1HB LYS 31 11.003 -0.133 -4.605
306 2HB LYS 31 2HB LYS 31 11.175 0.582 -3.008
307 1HG LYS 31 1HG LYS 31 13.552 0.302 -3.028
308 2HG LYS 31 2HG LYS 31 13.488 -0.712 -4.469
309 1HD LYS 31 1HD LYS 31 12.442 1.339 -5.639
310 2HD LYS 31 2HD LYS 31 13.016 2.264 -4.252
311 1HE LYS 31 1HE LYS 31 15.168 0.607 -5.065
312 2HE LYS 31 2HE LYS 31 14.508 1.332 -6.531
313 1HZ LYS 31 1HZ LYS 31 14.733 3.156 -4.313
314 2HZ LYS 31 2HZ LYS 31 16.226 2.546 -4.849
315 3HZ LYS 31 3HZ LYS 31 15.197 3.356 -5.932
316 QB LYS 31 QB LYS 31 11.089 0.224 -3.807
317 QD LYS 31 QD LYS 31 12.729 1.801 -4.946
318 QG LYS 31 QG LYS 31 13.520 -0.205 -3.748
319 QE LYS 31 QE LYS 31 14.838 0.970 -5.798
320 QZ LYS 31 QZ LYS 31 15.385 3.019 -5.031
321 H ARG 32 H ARG 32 8.889 -2.781 -3.000
322 HA ARG 32 HA ARG 32 7.616 -1.215 -1.059
323 1HB ARG 32 1HB ARG 32 6.478 -2.752 -2.652
324 2HB ARG 32 2HB ARG 32 7.193 -4.129 -1.812
325 1HG ARG 32 1HG ARG 32 5.706 -4.016 -0.087
326 2HG ARG 32 2HG ARG 32 5.776 -2.257 -0.019
327 1HD ARG 32 1HD ARG 32 3.910 -2.034 -1.274
328 2HD ARG 32 2HD ARG 32 4.460 -3.224 -2.448
329 HE ARG 32 HE ARG 32 3.344 -4.159 0.154
330 1HH1 ARG 32 1HH1 ARG 32 2.792 -3.512 -3.175
331 2HH1 ARG 32 2HH1 ARG 32 1.752 -4.876 -3.408
332 1HH2 ARG 32 1HH2 ARG 32 2.160 -6.085 -0.187
333 2HH2 ARG 32 2HH2 ARG 32 1.395 -6.329 -1.721
334 QB ARG 32 QB ARG 32 6.835 -3.441 -2.232
335 QG ARG 32 QG ARG 32 5.741 -3.136 -0.053
336 QD ARG 32 QD ARG 32 4.185 -2.629 -1.861
337 QH1 ARG 32 QH1 ARG 32 2.272 -4.194 -3.292
338 QH2 ARG 32 QH2 ARG 32 1.777 -6.207 -0.954
339 H GLY 33 H GLY 33 10.314 -2.965 -0.349
340 1HA GLY 33 1HA GLY 33 11.216 -3.681 1.681
341 2HA GLY 33 2HA GLY 33 9.894 -2.813 2.459
342 QA GLY 33 QA GLY 33 10.555 -3.247 2.070
343 H ARG 34 H ARG 34 8.611 -4.097 3.664
344 HA ARG 34 HA ARG 34 8.080 -6.876 2.707
345 1HB ARG 34 1HB ARG 34 9.054 -5.960 5.404
346 2HB ARG 34 2HB ARG 34 8.073 -7.420 5.267
347 1HG ARG 34 1HG ARG 34 9.812 -8.603 4.456
348 2HG ARG 34 2HG ARG 34 10.161 -7.369 3.245
349 1HD ARG 34 1HD ARG 34 12.023 -6.898 4.431
350 2HD ARG 34 2HD ARG 34 10.956 -6.197 5.649
351 HE ARG 34 HE ARG 34 11.312 -8.113 7.000
352 1HH1 ARG 34 1HH1 ARG 34 12.224 -8.663 3.720
353 2HH1 ARG 34 2HH1 ARG 34 13.105 -10.111 4.068
354 1HH2 ARG 34 1HH2 ARG 34 12.546 -9.955 7.484
355 2HH2 ARG 34 2HH2 ARG 34 13.292 -10.838 6.195
356 QB ARG 34 QB ARG 34 8.564 -6.690 5.336
357 QG ARG 34 QG ARG 34 9.987 -7.986 3.851
358 QD ARG 34 QD ARG 34 11.490 -6.547 5.040
359 QH1 ARG 34 QH1 ARG 34 12.665 -9.387 3.894
360 QH2 ARG 34 QH2 ARG 34 12.919 -10.397 6.840
No H/Q in entry = 360
Start of MODEL 17
1 H1 MET 1 H1 MET 1 -11.014 13.691 -3.087
2 H2 MET 1 H2 MET 1 -10.656 12.642 -4.377
3 H3 MET 1 H3 MET 1 -11.530 14.073 -4.656
4 HA MET 1 HA MET 1 -13.327 12.764 -4.548
5 1HB MET 1 1HB MET 1 -11.659 10.867 -2.868
6 2HB MET 1 2HB MET 1 -13.278 10.532 -3.485
7 1HG MET 1 1HG MET 1 -11.915 11.350 -5.751
8 2HG MET 1 2HG MET 1 -10.698 10.424 -4.873
9 1HE MET 1 1HE MET 1 -13.336 10.368 -7.355
10 2HE MET 1 2HE MET 1 -11.779 9.621 -7.700
11 3HE MET 1 3HE MET 1 -13.259 8.656 -7.763
12 QB MET 1 QB MET 1 -12.468 10.699 -3.177
13 QG MET 1 QG MET 1 -11.306 10.887 -5.312
14 ME MET 1 ME MET 1 -12.791 9.549 -7.606
15 H SER 2 H SER 2 -15.092 12.631 -3.054
16 HA SER 2 HA SER 2 -14.467 13.739 -0.345
17 1HB SER 2 1HB SER 2 -16.043 14.883 -2.363
18 2HB SER 2 2HB SER 2 -17.200 14.197 -1.229
19 HG SER 2 HG SER 2 -16.683 16.225 -0.500
20 QB SER 2 QB SER 2 -16.621 14.540 -1.796
21 H TRP 3 H TRP 3 -14.559 10.939 -0.931
22 HA TRP 3 HA TRP 3 -17.155 10.138 0.325
23 1HB TRP 3 1HB TRP 3 -15.233 8.688 -1.493
24 2HB TRP 3 2HB TRP 3 -16.433 7.819 -0.534
25 HD1 TRP 3 HD1 TRP 3 -19.012 9.182 -0.765
26 HE1 TRP 3 HE1 TRP 3 -20.184 9.737 -2.992
27 HE3 TRP 3 HE3 TRP 3 -15.006 9.037 -3.930
28 HZ2 TRP 3 HZ2 TRP 3 -19.512 10.071 -5.755
29 HZ3 TRP 3 HZ3 TRP 3 -15.301 9.473 -6.352
30 HH2 TRP 3 HH2 TRP 3 -17.546 9.989 -7.268
31 QB TRP 3 QB TRP 3 -15.833 8.254 -1.014
32 H ALA 4 H ALA 4 -15.587 11.069 2.285
33 HA ALA 4 HA ALA 4 -14.433 10.470 4.248
34 1HB ALA 4 2HB ALA 4 -15.317 7.682 3.437
35 2HB ALA 4 1HB ALA 4 -16.287 8.817 4.376
36 3HB ALA 4 3HB ALA 4 -14.784 8.180 5.043
37 MB ALA 4 MB ALA 4 -15.463 8.226 4.286
38 H LEU 5 H LEU 5 -12.961 10.576 1.689
39 HA LEU 5 HA LEU 5 -11.147 8.338 1.560
40 1HB LEU 5 1HB LEU 5 -11.615 10.117 -0.251
41 2HB LEU 5 2HB LEU 5 -10.488 11.137 0.641
42 HG LEU 5 HG LEU 5 -8.821 9.224 0.507
43 1HD1 LEU 5 1HD1 LEU 5 -10.826 7.637 -0.144
44 2HD1 LEU 5 2HD1 LEU 5 -10.472 8.193 -1.780
45 3HD1 LEU 5 3HD1 LEU 5 -9.228 7.367 -0.841
46 1HD2 LEU 5 1HD2 LEU 5 -9.813 10.895 -1.749
47 2HD2 LEU 5 2HD2 LEU 5 -8.216 10.846 -1.005
48 3HD2 LEU 5 3HD2 LEU 5 -8.686 9.604 -2.165
49 MD1 LEU 5 MD1 LEU 5 -10.176 7.732 -0.922
50 MD2 LEU 5 MD2 LEU 5 -8.905 10.448 -1.640
51 QB LEU 5 QB LEU 5 -11.052 10.627 0.195
52 QD LEU 5 QD LEU 5 -9.540 9.090 -1.281
53 H GLU 6 H GLU 6 -11.338 11.154 3.583
54 HA GLU 6 HA GLU 6 -8.597 11.403 4.329
55 1HB GLU 6 1HB GLU 6 -11.173 11.976 5.809
56 2HB GLU 6 2HB GLU 6 -9.590 12.305 6.515
57 1HG GLU 6 1HG GLU 6 -9.039 13.692 4.503
58 2HG GLU 6 2HG GLU 6 -10.691 13.452 3.933
59 QB GLU 6 QB GLU 6 -10.382 12.141 6.162
60 QG GLU 6 QG GLU 6 -9.865 13.572 4.218
61 H MET 7 H MET 7 -11.233 9.615 5.968
62 HA MET 7 HA MET 7 -9.364 8.211 7.713
63 1HB MET 7 1HB MET 7 -12.151 8.645 7.619
64 2HB MET 7 2HB MET 7 -11.936 6.903 7.436
65 1HG MET 7 1HG MET 7 -10.376 8.374 9.542
66 2HG MET 7 2HG MET 7 -12.059 7.943 9.849
67 1HE MET 7 1HE MET 7 -9.253 7.306 11.084
68 2HE MET 7 2HE MET 7 -8.852 5.592 11.169
69 3HE MET 7 3HE MET 7 -8.341 6.556 9.775
70 QB MET 7 QB MET 7 -12.044 7.774 7.528
71 QG MET 7 QG MET 7 -11.217 8.158 9.695
72 ME MET 7 ME MET 7 -8.815 6.485 10.676
73 H ALA 8 H ALA 8 -11.475 7.216 5.028
74 HA ALA 8 HA ALA 8 -10.743 4.563 4.680
75 1HB ALA 8 3HB ALA 8 -11.673 4.724 2.577
76 2HB ALA 8 2HB ALA 8 -10.854 6.243 2.216
77 3HB ALA 8 1HB ALA 8 -12.277 6.236 3.257
78 MB ALA 8 MB ALA 8 -11.602 5.734 2.683
79 H ASP 9 H ASP 9 -8.820 7.415 4.037
80 HA ASP 9 HA ASP 9 -6.922 6.695 2.222
81 1HB ASP 9 1HB ASP 9 -6.908 8.743 3.729
82 2HB ASP 9 2HB ASP 9 -6.117 7.738 4.944
83 QB ASP 9 QB ASP 9 -6.512 8.241 4.337
84 H THR 10 H THR 10 -7.225 5.321 5.466
85 HA THR 10 HA THR 10 -4.799 3.716 5.326
86 HB THR 10 HB THR 10 -5.522 2.769 7.407
87 HG1 THR 10 HG1 THR 10 -7.559 2.525 7.877
88 1HG2 THR 10 1HG2 THR 10 -4.888 5.211 7.390
89 2HG2 THR 10 2HG2 THR 10 -6.610 5.594 7.356
90 3HG2 THR 10 3HG2 THR 10 -5.923 4.738 8.737
91 MG THR 10 MG THR 10 -5.807 5.181 7.828
92 H PHE 11 H PHE 11 -5.881 3.125 3.000
93 HA PHE 11 HA PHE 11 -6.182 0.413 2.725
94 1HB PHE 11 1HB PHE 11 -8.545 1.598 3.934
95 2HB PHE 11 2HB PHE 11 -8.946 0.928 2.354
96 HD1 PHE 11 HD1 PHE 11 -7.025 -1.329 2.171
97 HD2 PHE 11 HD2 PHE 11 -9.415 0.036 5.470
98 HE1 PHE 11 HE1 PHE 11 -6.998 -3.615 3.138
99 HE2 PHE 11 HE2 PHE 11 -9.388 -2.249 6.435
100 HZ PHE 11 HZ PHE 11 -8.180 -4.073 5.270
101 QB PHE 11 QB PHE 11 -8.746 1.263 3.144
102 QD PHE 11 QD PHE 11 -8.220 -0.646 3.821
103 QE PHE 11 QE PHE 11 -8.193 -2.932 4.787
104 QR PHE 11 QR PHE 11 -8.201 -2.246 4.497
105 H LEU 12 H LEU 12 -8.368 3.040 1.721
106 HA LEU 12 HA LEU 12 -7.937 2.496 -1.106
107 1HB LEU 12 1HB LEU 12 -9.762 4.029 0.502
108 2HB LEU 12 2HB LEU 12 -9.076 5.072 -0.746
109 HG LEU 12 HG LEU 12 -9.599 3.231 -2.419
110 1HD1 LEU 12 1HD1 LEU 12 -10.789 2.098 0.088
111 2HD1 LEU 12 2HD1 LEU 12 -11.608 1.800 -1.446
112 3HD1 LEU 12 3HD1 LEU 12 -9.939 1.273 -1.219
113 1HD2 LEU 12 1HD2 LEU 12 -11.033 5.320 -1.864
114 2HD2 LEU 12 2HD2 LEU 12 -11.813 4.003 -2.742
115 3HD2 LEU 12 3HD2 LEU 12 -12.090 4.195 -1.011
116 MD1 LEU 12 MD1 LEU 12 -10.779 1.724 -0.859
117 MD2 LEU 12 MD2 LEU 12 -11.645 4.506 -1.872
118 QB LEU 12 QB LEU 12 -9.419 4.550 -0.122
119 QD LEU 12 QD LEU 12 -11.212 3.115 -1.366
120 H ASP 13 H ASP 13 -5.851 3.775 1.072
121 HA ASP 13 HA ASP 13 -4.999 6.273 0.361
122 1HB ASP 13 1HB ASP 13 -3.858 4.148 1.696
123 2HB ASP 13 2HB ASP 13 -2.752 4.382 0.342
124 QB ASP 13 QB ASP 13 -3.305 4.265 1.019
125 H ASN 14 H ASN 14 -3.616 3.416 -1.344
126 HA ASN 14 HA ASN 14 -3.670 5.089 -3.818
127 1HB ASN 14 1HB ASN 14 -1.335 3.988 -2.406
128 2HB ASN 14 2HB ASN 14 -1.367 3.629 -4.133
129 2HD2 ASN 14 1HD2 ASN 14 0.444 5.178 -4.447
130 1HD2 ASN 14 2HD2 ASN 14 0.150 6.849 -4.426
131 QB ASN 14 QB ASN 14 -1.351 3.808 -3.269
132 QD ASN 14 QD ASN 14 0.297 6.014 -4.436
133 H MET 15 H MET 15 -4.930 2.408 -2.554
134 HA MET 15 HA MET 15 -4.260 0.421 -4.541
135 1HB MET 15 1HB MET 15 -6.607 0.623 -2.638
136 2HB MET 15 2HB MET 15 -6.230 -0.799 -3.611
137 1HG MET 15 1HG MET 15 -3.904 -0.723 -2.521
138 2HG MET 15 2HG MET 15 -4.606 0.410 -1.368
139 1HE MET 15 1HE MET 15 -3.167 -2.204 -1.084
140 2HE MET 15 2HE MET 15 -4.063 -3.465 -0.225
141 3HE MET 15 3HE MET 15 -4.030 -3.446 -1.987
142 QB MET 15 QB MET 15 -6.419 -0.088 -3.125
143 QG MET 15 QG MET 15 -4.255 -0.157 -1.944
144 ME MET 15 ME MET 15 -3.753 -3.038 -1.099
145 H ARG 16 H ARG 16 -6.148 3.199 -4.625
146 HA ARG 16 HA ARG 16 -7.912 3.915 -6.033
147 1HB ARG 16 1HB ARG 16 -5.685 3.788 -7.392
148 2HB ARG 16 2HB ARG 16 -6.439 2.398 -8.175
149 1HG ARG 16 1HG ARG 16 -8.262 3.707 -8.977
150 2HG ARG 16 2HG ARG 16 -7.844 5.063 -7.928
151 1HD ARG 16 1HD ARG 16 -6.035 5.703 -9.250
152 2HD ARG 16 2HD ARG 16 -5.837 4.091 -9.937
153 HE ARG 16 HE ARG 16 -7.304 6.121 -11.186
154 1HH1 ARG 16 1HH1 ARG 16 -7.123 2.774 -10.903
155 2HH1 ARG 16 2HH1 ARG 16 -8.645 2.453 -11.665
156 1HH2 ARG 16 1HH2 ARG 16 -9.584 5.791 -11.792
157 2HH2 ARG 16 2HH2 ARG 16 -10.040 4.164 -12.171
158 QB ARG 16 QB ARG 16 -6.062 3.093 -7.783
159 QG ARG 16 QG ARG 16 -8.053 4.385 -8.452
160 QD ARG 16 QD ARG 16 -5.936 4.897 -9.594
161 QH1 ARG 16 QH1 ARG 16 -7.884 2.614 -11.284
162 QH2 ARG 16 QH2 ARG 16 -9.812 4.977 -11.981
163 H VAL 17 H VAL 17 -8.994 1.872 -4.728
164 HA VAL 17 HA VAL 17 -10.712 0.276 -4.912
165 HB VAL 17 HB VAL 17 -10.577 0.735 -7.901
166 1HG1 VAL 17 1HG1 VAL 17 -12.041 -1.053 -6.486
167 2HG1 VAL 17 2HG1 VAL 17 -13.118 0.343 -6.413
168 3HG1 VAL 17 3HG1 VAL 17 -12.616 -0.303 -7.976
169 1HG2 VAL 17 1HG2 VAL 17 -11.123 2.651 -5.842
170 2HG2 VAL 17 2HG2 VAL 17 -11.251 2.862 -7.587
171 3HG2 VAL 17 3HG2 VAL 17 -12.638 2.281 -6.666
172 MG1 VAL 17 MG1 VAL 17 -12.592 -0.338 -6.958
173 MG2 VAL 17 MG2 VAL 17 -11.671 2.598 -6.698
174 QG VAL 17 QG VAL 17 -12.131 1.130 -6.828
175 H GLY 18 H GLY 18 -7.893 -0.451 -4.999
176 1HA GLY 18 1HA GLY 18 -7.327 -2.381 -7.018
177 2HA GLY 18 2HA GLY 18 -6.570 -2.337 -5.426
178 QA GLY 18 QA GLY 18 -6.949 -2.359 -6.222
179 1HB PRO 19 1HB PRO 19 -9.261 -5.363 -1.565
180 2HB PRO 19 2HB PRO 19 -7.699 -5.841 -2.254
181 1HG PRO 19 2HG PRO 19 -6.957 -3.832 -1.387
182 2HG PRO 19 1HG PRO 19 -8.593 -3.158 -1.305
183 1HD PRO 19 1HD PRO 19 -8.077 -1.990 -3.217
184 2HD PRO 19 2HD PRO 19 -6.593 -2.936 -3.468
185 QB PRO 19 QB PRO 19 -8.480 -5.602 -1.910
186 QG PRO 19 QG PRO 19 -7.775 -3.495 -1.346
187 QD PRO 19 QD PRO 19 -7.335 -2.463 -3.342
188 H ARG 20 H ARG 20 -11.003 -6.548 -4.164
189 HA ARG 20 HA ARG 20 -13.067 -4.490 -3.490
190 1HB ARG 20 1HB ARG 20 -12.768 -5.187 -5.991
191 2HB ARG 20 2HB ARG 20 -13.555 -6.686 -5.496
192 1HG ARG 20 1HG ARG 20 -14.772 -4.048 -4.730
193 2HG ARG 20 2HG ARG 20 -15.025 -4.686 -6.355
194 1HD ARG 20 1HD ARG 20 -15.484 -6.894 -4.753
195 2HD ARG 20 2HD ARG 20 -16.169 -5.575 -3.805
196 HE ARG 20 HE ARG 20 -17.055 -6.368 -6.534
197 1HH1 ARG 20 1HH1 ARG 20 -17.950 -3.928 -6.969
198 2HH1 ARG 20 2HH1 ARG 20 -19.268 -3.594 -5.897
199 1HH2 ARG 20 1HH2 ARG 20 -18.503 -6.180 -3.720
200 2HH2 ARG 20 2HH2 ARG 20 -19.581 -4.868 -4.059
201 QB ARG 20 QB ARG 20 -13.161 -5.937 -5.744
202 QG ARG 20 QG ARG 20 -14.899 -4.367 -5.543
203 QD ARG 20 QD ARG 20 -15.827 -6.234 -4.279
204 QH1 ARG 20 QH1 ARG 20 -18.609 -3.761 -6.433
205 QH2 ARG 20 QH2 ARG 20 -19.042 -5.524 -3.890
206 H THR 21 H THR 21 -12.679 -8.012 -3.987
207 HA THR 21 HA THR 21 -13.335 -8.796 -1.354
208 HB THR 21 HB THR 21 -15.542 -7.721 -1.909
209 HG1 THR 21 HG1 THR 21 -15.884 -9.214 -0.446
210 1HG2 THR 21 1HG2 THR 21 -15.180 -8.877 -4.371
211 2HG2 THR 21 2HG2 THR 21 -16.340 -9.975 -3.624
212 3HG2 THR 21 3HG2 THR 21 -16.719 -8.259 -3.771
213 MG THR 21 MG THR 21 -16.080 -9.037 -3.922
214 H TYR 22 H TYR 22 -11.714 -9.554 -3.669
215 HA TYR 22 HA TYR 22 -12.807 -12.194 -4.453
216 1HB TYR 22 1HB TYR 22 -11.007 -12.248 -6.077
217 2HB TYR 22 2HB TYR 22 -11.776 -10.661 -6.153
218 HD1 TYR 22 HD1 TYR 22 -8.873 -12.517 -4.737
219 HD2 TYR 22 HD2 TYR 22 -10.566 -8.677 -5.652
220 HE1 TYR 22 HE1 TYR 22 -6.704 -11.435 -4.210
221 HE2 TYR 22 HE2 TYR 22 -8.398 -7.595 -5.125
222 HH TYR 22 HH TYR 22 -5.967 -9.079 -3.440
223 QB TYR 22 QB TYR 22 -11.392 -11.455 -6.115
224 QD TYR 22 QD TYR 22 -9.719 -10.597 -5.194
225 QE TYR 22 QE TYR 22 -7.551 -9.515 -4.667
226 QR TYR 22 QR TYR 22 -8.635 -10.056 -4.931
227 H ALA 23 H ALA 23 -10.501 -10.850 -2.214
228 HA ALA 23 HA ALA 23 -8.653 -12.950 -1.997
229 1HB ALA 23 2HB ALA 23 -9.791 -11.560 0.421
230 2HB ALA 23 1HB ALA 23 -8.727 -10.716 -0.704
231 3HB ALA 23 3HB ALA 23 -8.143 -12.132 0.170
232 MB ALA 23 MB ALA 23 -8.887 -11.469 -0.038
233 H ASP 24 H ASP 24 -11.929 -12.712 -0.955
234 HA ASP 24 HA ASP 24 -11.864 -15.136 0.688
235 1HB ASP 24 1HB ASP 24 -13.734 -12.985 0.146
236 2HB ASP 24 2HB ASP 24 -14.536 -14.554 0.055
237 QB ASP 24 QB ASP 24 -14.135 -13.769 0.100
238 H VAL 25 H VAL 25 -14.030 -14.422 -2.058
239 HA VAL 25 HA VAL 25 -14.820 -16.935 -2.780
240 HB VAL 25 HB VAL 25 -13.946 -14.665 -4.581
241 1HG1 VAL 25 1HG1 VAL 25 -14.904 -17.411 -5.235
242 2HG1 VAL 25 2HG1 VAL 25 -15.593 -16.077 -6.160
243 3HG1 VAL 25 3HG1 VAL 25 -13.849 -16.339 -6.158
244 1HG2 VAL 25 1HG2 VAL 25 -16.579 -15.696 -3.506
245 2HG2 VAL 25 2HG2 VAL 25 -15.871 -14.094 -3.291
246 3HG2 VAL 25 3HG2 VAL 25 -16.492 -14.579 -4.869
247 MG1 VAL 25 MG1 VAL 25 -14.782 -16.609 -5.851
248 MG2 VAL 25 MG2 VAL 25 -16.314 -14.789 -3.889
249 QG VAL 25 QG VAL 25 -15.548 -15.699 -4.870
250 H ARG 26 H ARG 26 -11.728 -15.477 -3.763
251 HA ARG 26 HA ARG 26 -10.765 -17.833 -5.154
252 1HB ARG 26 2HB ARG 26 -8.676 -16.657 -5.266
253 2HB ARG 26 1HB ARG 26 -9.072 -15.664 -3.862
254 1HG ARG 26 1HG ARG 26 -11.183 -15.253 -5.670
255 2HG ARG 26 2HG ARG 26 -9.878 -14.124 -5.302
256 1HD ARG 26 1HD ARG 26 -8.916 -14.452 -7.315
257 2HD ARG 26 2HD ARG 26 -8.996 -16.204 -7.137
258 HE ARG 26 HE ARG 26 -11.341 -14.599 -8.074
259 1HH1 ARG 26 1HH1 ARG 26 -10.755 -17.715 -7.385
260 2HH1 ARG 26 2HH1 ARG 26 -10.934 -18.345 -8.988
261 1HH2 ARG 26 1HH2 ARG 26 -10.915 -15.226 -10.501
262 2HH2 ARG 26 2HH2 ARG 26 -11.028 -16.936 -10.752
263 QB ARG 26 QB ARG 26 -8.874 -16.160 -4.564
264 QG ARG 26 QG ARG 26 -10.531 -14.689 -5.486
265 QD ARG 26 QD ARG 26 -8.956 -15.328 -7.226
266 QH1 ARG 26 QH1 ARG 26 -10.845 -18.030 -8.187
267 QH2 ARG 26 QH2 ARG 26 -10.971 -16.081 -10.627
268 H ASP 27 H ASP 27 -10.020 -16.614 -1.788
269 HA ASP 27 HA ASP 27 -8.277 -18.661 -0.950
270 1HB ASP 27 1HB ASP 27 -9.591 -16.779 0.448
271 2HB ASP 27 2HB ASP 27 -10.675 -18.126 0.800
272 QB ASP 27 QB ASP 27 -10.133 -17.453 0.624
273 H GLU 28 H GLU 28 -11.611 -18.927 -1.897
274 HA GLU 28 HA GLU 28 -12.017 -21.578 -1.042
275 1HB GLU 28 1HB GLU 28 -13.783 -19.917 -2.014
276 2HB GLU 28 2HB GLU 28 -13.166 -20.440 -3.582
277 1HG GLU 28 2HG GLU 28 -13.522 -22.854 -2.524
278 2HG GLU 28 1HG GLU 28 -14.856 -21.994 -3.290
279 QB GLU 28 QB GLU 28 -13.475 -20.179 -2.798
280 QG GLU 28 QG GLU 28 -14.189 -22.424 -2.907
281 H ILE 29 H ILE 29 -10.084 -22.514 -1.429
282 HA ILE 29 HA ILE 29 -8.762 -24.036 -2.799
283 HB ILE 29 HB ILE 29 -9.531 -22.158 -5.080
284 1HG1 ILE 29 1HG1 ILE 29 -11.552 -23.321 -4.455
285 2HG1 ILE 29 2HG1 ILE 29 -10.895 -24.218 -5.822
286 1HG2 ILE 29 1HG2 ILE 29 -7.861 -24.643 -4.790
287 2HG2 ILE 29 2HG2 ILE 29 -8.758 -24.412 -6.290
288 3HG2 ILE 29 3HG2 ILE 29 -7.576 -23.210 -5.777
289 1HD1 ILE 29 1HD1 ILE 29 -9.758 -25.740 -4.149
290 2HD1 ILE 29 2HD1 ILE 29 -10.685 -24.928 -2.887
291 3HD1 ILE 29 3HD1 ILE 29 -11.518 -25.833 -4.151
292 MG ILE 29 MG ILE 29 -8.065 -24.088 -5.619
293 MD ILE 29 MD ILE 29 -10.654 -25.501 -3.729
294 QG ILE 29 QG ILE 29 -11.224 -23.770 -5.139
295 H ASN 30 H ASN 30 -7.568 -22.437 -1.130
296 HA ASN 30 HA ASN 30 -6.248 -20.496 -0.766
297 1HB ASN 30 1HB ASN 30 -4.008 -21.035 -1.912
298 2HB ASN 30 2HB ASN 30 -4.643 -22.124 -0.680
299 2HD2 ASN 30 1HD2 ASN 30 -3.612 -21.942 -3.972
300 1HD2 ASN 30 2HD2 ASN 30 -4.116 -23.491 -4.449
301 QB ASN 30 QB ASN 30 -4.325 -21.579 -1.296
302 QD ASN 30 QD ASN 30 -3.864 -22.716 -4.210
303 H LYS 31 H LYS 31 -8.044 -19.671 -2.573
304 HA LYS 31 HA LYS 31 -8.059 -17.629 -3.831
305 1HB LYS 31 1HB LYS 31 -5.213 -18.304 -4.425
306 2HB LYS 31 2HB LYS 31 -6.090 -17.188 -5.445
307 1HG LYS 31 2HG LYS 31 -6.804 -16.185 -3.065
308 2HG LYS 31 1HG LYS 31 -5.344 -15.671 -3.908
309 1HD LYS 31 1HD LYS 31 -5.360 -17.961 -1.931
310 2HD LYS 31 2HD LYS 31 -3.964 -17.102 -2.581
311 1HE LYS 31 1HE LYS 31 -4.176 -15.396 -1.100
312 2HE LYS 31 2HE LYS 31 -5.932 -15.358 -1.260
313 1HZ LYS 31 1HZ LYS 31 -4.390 -17.355 0.307
314 2HZ LYS 31 2HZ LYS 31 -5.246 -16.040 0.959
315 3HZ LYS 31 3HZ LYS 31 -6.079 -17.291 0.168
316 QB LYS 31 QB LYS 31 -5.652 -17.746 -4.935
317 QD LYS 31 QD LYS 31 -4.662 -17.531 -2.256
318 QG LYS 31 QG LYS 31 -6.074 -15.928 -3.487
319 QE LYS 31 QE LYS 31 -5.054 -15.377 -1.180
320 QZ LYS 31 QZ LYS 31 -5.238 -16.895 0.478
321 H ARG 32 H ARG 32 -9.078 -20.363 -4.657
322 HA ARG 32 HA ARG 32 -9.229 -19.663 -7.530
323 1HB ARG 32 1HB ARG 32 -7.400 -21.596 -6.719
324 2HB ARG 32 2HB ARG 32 -8.798 -22.533 -7.251
325 1HG ARG 32 1HG ARG 32 -8.833 -21.304 -9.379
326 2HG ARG 32 2HG ARG 32 -7.453 -20.340 -8.855
327 1HD ARG 32 1HD ARG 32 -6.645 -22.990 -8.459
328 2HD ARG 32 2HD ARG 32 -7.497 -23.010 -10.003
329 HE ARG 32 HE ARG 32 -5.629 -20.791 -9.801
330 1HH1 ARG 32 1HH1 ARG 32 -6.124 -24.111 -10.609
331 2HH1 ARG 32 2HH1 ARG 32 -4.699 -24.220 -11.583
332 1HH2 ARG 32 1HH2 ARG 32 -3.724 -20.946 -11.007
333 2HH2 ARG 32 2HH2 ARG 32 -3.341 -22.433 -11.806
334 QB ARG 32 QB ARG 32 -8.099 -22.064 -6.985
335 QG ARG 32 QG ARG 32 -8.143 -20.822 -9.117
336 QD ARG 32 QD ARG 32 -7.071 -23.000 -9.231
337 QH1 ARG 32 QH1 ARG 32 -5.412 -24.166 -11.096
338 QH2 ARG 32 QH2 ARG 32 -3.532 -21.689 -11.407
339 H GLY 33 H GLY 33 -11.422 -19.206 -6.445
340 1HA GLY 33 1HA GLY 33 -13.039 -21.599 -5.874
341 2HA GLY 33 2HA GLY 33 -13.607 -19.928 -5.823
342 QA GLY 33 QA GLY 33 -13.323 -20.764 -5.849
343 H ARG 34 H ARG 34 -13.522 -22.782 -7.698
344 HA ARG 34 HA ARG 34 -13.745 -21.679 -10.322
345 1HB ARG 34 2HB ARG 34 -13.537 -24.199 -9.395
346 2HB ARG 34 1HB ARG 34 -14.140 -23.835 -11.010
347 1HG ARG 34 1HG ARG 34 -16.469 -23.873 -10.117
348 2HG ARG 34 2HG ARG 34 -15.645 -25.419 -9.913
349 1HD ARG 34 1HD ARG 34 -15.240 -23.577 -7.661
350 2HD ARG 34 2HD ARG 34 -16.926 -24.031 -7.903
351 HE ARG 34 HE ARG 34 -14.740 -26.047 -7.561
352 1HH1 ARG 34 1HH1 ARG 34 -17.475 -24.604 -6.212
353 2HH1 ARG 34 2HH1 ARG 34 -18.227 -26.087 -5.728
354 1HH2 ARG 34 1HH2 ARG 34 -15.905 -28.097 -7.337
355 2HH2 ARG 34 2HH2 ARG 34 -17.338 -28.063 -6.364
356 QB ARG 34 QB ARG 34 -13.838 -24.017 -10.203
357 QG ARG 34 QG ARG 34 -16.057 -24.646 -10.015
358 QD ARG 34 QD ARG 34 -16.083 -23.804 -7.782
359 QH1 ARG 34 QH1 ARG 34 -17.851 -25.345 -5.970
360 QH2 ARG 34 QH2 ARG 34 -16.622 -28.080 -6.851
No H/Q in entry = 360
Start of MODEL 18
1 H1 MET 1 H1 MET 1 -9.852 -0.081 14.918
2 H2 MET 1 H2 MET 1 -10.662 -1.068 13.801
3 H3 MET 1 H3 MET 1 -9.309 -0.164 13.310
4 HA MET 1 HA MET 1 -11.253 0.934 12.506
5 1HB MET 1 1HB MET 1 -12.677 -0.172 14.360
6 2HB MET 1 2HB MET 1 -12.187 1.192 15.365
7 1HG MET 1 2HG MET 1 -12.938 2.492 13.093
8 2HG MET 1 1HG MET 1 -14.018 2.201 14.456
9 1HE MET 1 1HE MET 1 -15.780 1.019 14.620
10 2HE MET 1 2HE MET 1 -16.507 1.821 13.229
11 3HE MET 1 3HE MET 1 -16.645 0.067 13.416
12 QB MET 1 QB MET 1 -12.432 0.510 14.862
13 QG MET 1 QG MET 1 -13.478 2.347 13.774
14 ME MET 1 ME MET 1 -16.311 0.969 13.755
15 H SER 2 H SER 2 -10.390 2.885 12.012
16 HA SER 2 HA SER 2 -9.051 4.425 14.195
17 1HB SER 2 1HB SER 2 -8.693 4.570 11.187
18 2HB SER 2 2HB SER 2 -7.852 5.588 12.352
19 HG SER 2 HG SER 2 -6.554 3.990 12.751
20 QB SER 2 QB SER 2 -8.272 5.079 11.770
21 H TRP 3 H TRP 3 -10.466 5.394 11.061
22 HA TRP 3 HA TRP 3 -12.440 7.079 12.491
23 1HB TRP 3 1HB TRP 3 -10.024 8.075 11.160
24 2HB TRP 3 2HB TRP 3 -11.500 8.807 10.532
25 HD1 TRP 3 HD1 TRP 3 -9.148 8.948 13.399
26 HE1 TRP 3 HE1 TRP 3 -10.048 10.541 15.215
27 HE3 TRP 3 HE3 TRP 3 -13.922 9.613 11.707
28 HZ2 TRP 3 HZ2 TRP 3 -12.471 11.913 15.865
29 HZ3 TRP 3 HZ3 TRP 3 -15.502 11.068 12.942
30 HH2 TRP 3 HH2 TRP 3 -14.784 12.218 15.017
31 QB TRP 3 QB TRP 3 -10.762 8.441 10.846
32 H ALA 4 H ALA 4 -13.379 8.518 10.304
33 HA ALA 4 HA ALA 4 -14.458 6.319 8.614
34 1HB ALA 4 3HB ALA 4 -16.297 7.502 9.389
35 2HB ALA 4 2HB ALA 4 -15.981 8.375 7.889
36 3HB ALA 4 1HB ALA 4 -15.423 9.035 9.427
37 MB ALA 4 MB ALA 4 -15.900 8.304 8.902
38 H LEU 5 H LEU 5 -14.131 9.747 7.769
39 HA LEU 5 HA LEU 5 -13.297 9.195 5.096
40 1HB LEU 5 1HB LEU 5 -12.563 11.621 5.109
41 2HB LEU 5 2HB LEU 5 -14.233 11.360 5.611
42 HG LEU 5 HG LEU 5 -12.879 11.121 7.994
43 1HD1 LEU 5 1HD1 LEU 5 -10.777 11.852 6.924
44 2HD1 LEU 5 2HD1 LEU 5 -11.573 13.324 6.368
45 3HD1 LEU 5 3HD1 LEU 5 -11.338 13.046 8.093
46 1HD2 LEU 5 1HD2 LEU 5 -14.944 12.533 7.150
47 2HD2 LEU 5 2HD2 LEU 5 -14.062 13.045 8.589
48 3HD2 LEU 5 3HD2 LEU 5 -13.756 13.832 7.040
49 MD1 LEU 5 MD1 LEU 5 -11.229 12.741 7.128
50 MD2 LEU 5 MD2 LEU 5 -14.254 13.137 7.593
51 QB LEU 5 QB LEU 5 -13.398 11.490 5.360
52 QD LEU 5 QD LEU 5 -12.742 12.939 7.360
53 H GLU 6 H GLU 6 -11.512 9.625 8.095
54 HA GLU 6 HA GLU 6 -8.904 9.992 7.026
55 1HB GLU 6 1HB GLU 6 -9.981 9.755 9.555
56 2HB GLU 6 2HB GLU 6 -9.036 8.273 9.408
57 1HG GLU 6 1HG GLU 6 -7.116 9.735 8.577
58 2HG GLU 6 2HG GLU 6 -8.068 11.122 9.111
59 QB GLU 6 QB GLU 6 -9.508 9.014 9.482
60 QG GLU 6 QG GLU 6 -7.592 10.429 8.844
61 H MET 7 H MET 7 -10.614 6.981 7.914
62 HA MET 7 HA MET 7 -8.506 5.230 7.049
63 1HB MET 7 1HB MET 7 -11.141 4.979 8.151
64 2HB MET 7 2HB MET 7 -11.028 3.939 6.731
65 1HG MET 7 1HG MET 7 -8.897 3.002 7.639
66 2HG MET 7 2HG MET 7 -9.134 3.964 9.098
67 1HE MET 7 1HE MET 7 -9.198 0.994 7.529
68 2HE MET 7 2HE MET 7 -10.318 -0.105 8.328
69 3HE MET 7 3HE MET 7 -10.857 0.866 6.951
70 QB MET 7 QB MET 7 -11.084 4.459 7.441
71 QG MET 7 QG MET 7 -9.015 3.483 8.368
72 ME MET 7 ME MET 7 -10.125 0.585 7.602
73 H ALA 8 H ALA 8 -11.491 6.353 5.444
74 HA ALA 8 HA ALA 8 -11.243 4.931 3.032
75 1HB ALA 8 1HB ALA 8 -13.143 6.480 3.757
76 2HB ALA 8 3HB ALA 8 -12.685 6.567 2.056
77 3HB ALA 8 2HB ALA 8 -12.145 7.815 3.180
78 MB ALA 8 MB ALA 8 -12.658 6.954 2.998
79 H ASP 9 H ASP 9 -9.496 7.782 4.142
80 HA ASP 9 HA ASP 9 -8.366 8.482 1.587
81 1HB ASP 9 1HB ASP 9 -7.224 8.991 4.351
82 2HB ASP 9 2HB ASP 9 -6.817 9.860 2.870
83 QB ASP 9 QB ASP 9 -7.021 9.425 3.610
84 H THR 10 H THR 10 -6.461 7.283 4.359
85 HA THR 10 HA THR 10 -4.256 6.355 2.972
86 HB THR 10 HB THR 10 -4.236 6.233 5.365
87 HG1 THR 10 HG1 THR 10 -4.386 3.548 4.487
88 1HG2 THR 10 1HG2 THR 10 -6.755 5.798 5.468
89 2HG2 THR 10 2HG2 THR 10 -6.364 4.092 5.254
90 3HG2 THR 10 3HG2 THR 10 -5.772 4.962 6.668
91 MG THR 10 MG THR 10 -6.297 4.950 5.797
92 H PHE 11 H PHE 11 -7.447 4.933 3.054
93 HA PHE 11 HA PHE 11 -6.684 2.341 2.027
94 1HB PHE 11 1HB PHE 11 -9.020 3.476 2.997
95 2HB PHE 11 2HB PHE 11 -9.363 3.260 1.280
96 HD1 PHE 11 HD1 PHE 11 -8.171 1.491 4.339
97 HD2 PHE 11 HD2 PHE 11 -9.761 1.106 0.367
98 HE1 PHE 11 HE1 PHE 11 -8.507 -0.938 4.709
99 HE2 PHE 11 HE2 PHE 11 -10.097 -1.324 0.737
100 HZ PHE 11 HZ PHE 11 -9.470 -2.345 2.909
101 QB PHE 11 QB PHE 11 -9.191 3.368 2.139
102 QD PHE 11 QD PHE 11 -8.966 1.299 2.353
103 QE PHE 11 QE PHE 11 -9.302 -1.131 2.723
104 QR PHE 11 QR PHE 11 -9.201 -0.402 2.612
105 H LEU 12 H LEU 12 -8.094 5.237 0.462
106 HA LEU 12 HA LEU 12 -7.939 4.163 -2.196
107 1HB LEU 12 1HB LEU 12 -8.807 6.587 -0.970
108 2HB LEU 12 2HB LEU 12 -7.666 7.016 -2.246
109 HG LEU 12 HG LEU 12 -8.930 5.624 -3.847
110 1HD1 LEU 12 1HD1 LEU 12 -9.834 4.244 -1.729
111 2HD1 LEU 12 2HD1 LEU 12 -11.193 5.351 -1.924
112 3HD1 LEU 12 3HD1 LEU 12 -10.716 4.297 -3.255
113 1HD2 LEU 12 1HD2 LEU 12 -9.561 8.105 -3.050
114 2HD2 LEU 12 2HD2 LEU 12 -10.527 7.242 -4.247
115 3HD2 LEU 12 3HD2 LEU 12 -11.049 7.292 -2.563
116 MD1 LEU 12 MD1 LEU 12 -10.581 4.631 -2.303
117 MD2 LEU 12 MD2 LEU 12 -10.379 7.546 -3.287
118 QB LEU 12 QB LEU 12 -8.236 6.802 -1.608
119 QD LEU 12 QD LEU 12 -10.480 6.089 -2.795
120 H ASP 13 H ASP 13 -5.544 5.320 -0.049
121 HA ASP 13 HA ASP 13 -3.660 6.406 -1.920
122 1HB ASP 13 1HB ASP 13 -3.721 6.059 0.818
123 2HB ASP 13 2HB ASP 13 -2.503 4.884 0.322
124 QB ASP 13 QB ASP 13 -3.112 5.472 0.570
125 H ASN 14 H ASN 14 -3.932 3.153 -0.495
126 HA ASN 14 HA ASN 14 -2.451 2.104 -2.872
127 1HB ASN 14 1HB ASN 14 -2.580 0.837 -0.124
128 2HB ASN 14 2HB ASN 14 -1.535 0.372 -1.468
129 2HD2 ASN 14 1HD2 ASN 14 -1.068 1.633 1.396
130 1HD2 ASN 14 2HD2 ASN 14 0.036 2.880 1.072
131 QB ASN 14 QB ASN 14 -2.057 0.605 -0.796
132 QD ASN 14 QD ASN 14 -0.516 2.256 1.234
133 H MET 15 H MET 15 -5.001 1.337 -0.473
134 HA MET 15 HA MET 15 -6.988 0.125 -0.767
135 1HB MET 15 1HB MET 15 -6.564 1.315 -3.209
136 2HB MET 15 2HB MET 15 -6.666 -0.393 -3.633
137 1HG MET 15 1HG MET 15 -8.906 -0.305 -3.393
138 2HG MET 15 2HG MET 15 -8.691 0.124 -1.698
139 1HE MET 15 1HE MET 15 -7.589 1.432 -4.855
140 2HE MET 15 2HE MET 15 -8.898 2.481 -5.414
141 3HE MET 15 3HE MET 15 -7.524 3.166 -4.551
142 QB MET 15 QB MET 15 -6.615 0.461 -3.421
143 QG MET 15 QG MET 15 -8.799 -0.091 -2.545
144 ME MET 15 ME MET 15 -8.004 2.360 -4.940
145 H ARG 16 H ARG 16 -3.992 -1.018 -1.000
146 HA ARG 16 HA ARG 16 -3.021 -3.161 -1.326
147 1HB ARG 16 1HB ARG 16 -4.702 -3.015 0.862
148 2HB ARG 16 2HB ARG 16 -5.263 -4.473 0.041
149 1HG ARG 16 1HG ARG 16 -2.386 -3.881 0.801
150 2HG ARG 16 2HG ARG 16 -3.458 -5.000 1.643
151 1HD ARG 16 1HD ARG 16 -3.692 -6.319 -0.450
152 2HD ARG 16 2HD ARG 16 -2.561 -5.226 -1.247
153 HE ARG 16 HE ARG 16 -1.461 -6.379 1.188
154 1HH1 ARG 16 1HH1 ARG 16 -2.581 -8.416 -0.979
155 2HH1 ARG 16 2HH1 ARG 16 -1.083 -8.853 -1.732
156 1HH2 ARG 16 1HH2 ARG 16 0.707 -6.256 -0.292
157 2HH2 ARG 16 2HH2 ARG 16 0.778 -7.631 -1.341
158 QB ARG 16 QB ARG 16 -4.983 -3.744 0.452
159 QG ARG 16 QG ARG 16 -2.922 -4.441 1.222
160 QD ARG 16 QD ARG 16 -3.127 -5.773 -0.848
161 QH1 ARG 16 QH1 ARG 16 -1.832 -8.634 -1.356
162 QH2 ARG 16 QH2 ARG 16 0.742 -6.944 -0.816
163 H VAL 17 H VAL 17 -4.868 -2.389 -3.484
164 HA VAL 17 HA VAL 17 -4.915 -4.552 -5.122
165 HB VAL 17 HB VAL 17 -6.120 -5.983 -3.652
166 1HG1 VAL 17 1HG1 VAL 17 -7.993 -3.630 -3.293
167 2HG1 VAL 17 2HG1 VAL 17 -8.380 -5.262 -2.755
168 3HG1 VAL 17 3HG1 VAL 17 -7.004 -4.411 -2.060
169 1HG2 VAL 17 1HG2 VAL 17 -6.968 -5.593 -6.132
170 2HG2 VAL 17 2HG2 VAL 17 -7.859 -6.645 -5.033
171 3HG2 VAL 17 3HG2 VAL 17 -8.407 -4.991 -5.311
172 MG1 VAL 17 MG1 VAL 17 -7.792 -4.434 -2.703
173 MG2 VAL 17 MG2 VAL 17 -7.745 -5.743 -5.492
174 QG VAL 17 QG VAL 17 -7.768 -5.089 -4.098
175 H GLY 18 H GLY 18 -7.187 -2.113 -3.921
176 1HA GLY 18 1HA GLY 18 -8.319 -0.427 -5.123
177 2HA GLY 18 2HA GLY 18 -7.189 -0.723 -6.444
178 QA GLY 18 QA GLY 18 -7.754 -0.575 -5.783
179 1HB PRO 19 1HB PRO 19 -11.423 -0.811 -10.079
180 2HB PRO 19 2HB PRO 19 -12.045 -0.255 -8.516
181 1HG PRO 19 2HG PRO 19 -10.531 1.473 -8.768
182 2HG PRO 19 1HG PRO 19 -9.567 0.574 -9.951
183 1HD PRO 19 1HD PRO 19 -8.083 0.136 -8.253
184 2HD PRO 19 2HD PRO 19 -9.206 0.776 -7.033
185 QB PRO 19 QB PRO 19 -11.734 -0.533 -9.297
186 QG PRO 19 QG PRO 19 -10.049 1.023 -9.359
187 QD PRO 19 QD PRO 19 -8.645 0.456 -7.643
188 H ARG 20 H ARG 20 -11.744 -3.112 -10.235
189 HA ARG 20 HA ARG 20 -9.447 -4.821 -10.907
190 1HB ARG 20 1HB ARG 20 -12.260 -5.029 -11.147
191 2HB ARG 20 2HB ARG 20 -11.624 -5.011 -12.793
192 1HG ARG 20 1HG ARG 20 -10.002 -6.667 -11.024
193 2HG ARG 20 2HG ARG 20 -11.679 -7.212 -11.081
194 1HD ARG 20 1HD ARG 20 -11.605 -7.287 -13.526
195 2HD ARG 20 2HD ARG 20 -9.958 -6.658 -13.515
196 HE ARG 20 HE ARG 20 -10.332 -9.148 -12.002
197 1HH1 ARG 20 1HH1 ARG 20 -7.680 -8.743 -12.933
198 2HH1 ARG 20 2HH1 ARG 20 -7.599 -9.582 -14.446
199 1HH2 ARG 20 1HH2 ARG 20 -11.042 -9.749 -14.842
200 2HH2 ARG 20 2HH2 ARG 20 -9.502 -10.151 -15.528
201 QB ARG 20 QB ARG 20 -11.942 -5.020 -11.970
202 QG ARG 20 QG ARG 20 -10.840 -6.939 -11.053
203 QD ARG 20 QD ARG 20 -10.781 -6.972 -13.521
204 QH1 ARG 20 QH1 ARG 20 -7.640 -9.163 -13.690
205 QH2 ARG 20 QH2 ARG 20 -10.272 -9.950 -15.185
206 H THR 21 H THR 21 -11.628 -3.007 -13.081
207 HA THR 21 HA THR 21 -9.188 -2.141 -14.580
208 HB THR 21 HB THR 21 -10.629 -2.094 -16.590
209 HG1 THR 21 HG1 THR 21 -12.569 -3.085 -14.774
210 1HG2 THR 21 1HG2 THR 21 -10.225 -4.544 -14.955
211 2HG2 THR 21 2HG2 THR 21 -11.289 -4.689 -16.354
212 3HG2 THR 21 3HG2 THR 21 -9.622 -4.153 -16.565
213 MG THR 21 MG THR 21 -10.379 -4.462 -15.958
214 H TYR 22 H TYR 22 -11.134 -0.375 -16.189
215 HA TYR 22 HA TYR 22 -12.373 1.505 -14.471
216 1HB TYR 22 1HB TYR 22 -9.588 1.587 -14.201
217 2HB TYR 22 2HB TYR 22 -9.974 2.953 -15.249
218 HD1 TYR 22 HD1 TYR 22 -11.754 4.604 -14.513
219 HD2 TYR 22 HD2 TYR 22 -10.111 1.632 -11.884
220 HE1 TYR 22 HE1 TYR 22 -12.596 5.870 -12.556
221 HE2 TYR 22 HE2 TYR 22 -10.954 2.899 -9.925
222 HH TYR 22 HH TYR 22 -12.471 4.545 -9.318
223 QB TYR 22 QB TYR 22 -9.781 2.270 -14.725
224 QD TYR 22 QD TYR 22 -10.933 3.118 -13.198
225 QE TYR 22 QE TYR 22 -11.775 4.385 -11.241
226 QR TYR 22 QR TYR 22 -11.354 3.751 -12.220
227 H ALA 23 H ALA 23 -10.218 1.480 -17.352
228 HA ALA 23 HA ALA 23 -11.603 3.595 -18.677
229 1HB ALA 23 3HB ALA 23 -9.668 3.303 -19.829
230 2HB ALA 23 2HB ALA 23 -10.589 2.104 -20.737
231 3HB ALA 23 1HB ALA 23 -9.570 1.597 -19.389
232 MB ALA 23 MB ALA 23 -9.942 2.335 -19.985
233 H ASP 24 H ASP 24 -11.831 0.117 -19.056
234 HA ASP 24 HA ASP 24 -14.074 0.253 -20.888
235 1HB ASP 24 1HB ASP 24 -12.529 -1.876 -19.522
236 2HB ASP 24 2HB ASP 24 -14.198 -2.282 -19.917
237 QB ASP 24 QB ASP 24 -13.363 -2.079 -19.720
238 H VAL 25 H VAL 25 -13.867 -0.935 -17.508
239 HA VAL 25 HA VAL 25 -16.580 -1.291 -16.999
240 HB VAL 25 HB VAL 25 -15.970 -0.515 -14.605
241 1HG1 VAL 25 1HG1 VAL 25 -14.394 -2.684 -16.024
242 2HG1 VAL 25 2HG1 VAL 25 -14.549 -2.544 -14.274
243 3HG1 VAL 25 3HG1 VAL 25 -15.974 -2.865 -15.262
244 1HG2 VAL 25 1HG2 VAL 25 -13.707 0.437 -16.098
245 2HG2 VAL 25 2HG2 VAL 25 -14.038 0.617 -14.376
246 3HG2 VAL 25 3HG2 VAL 25 -13.160 -0.794 -14.961
247 MG1 VAL 25 MG1 VAL 25 -14.972 -2.698 -15.187
248 MG2 VAL 25 MG2 VAL 25 -13.635 0.086 -15.145
249 QG VAL 25 QG VAL 25 -14.304 -1.306 -15.166
250 H ARG 26 H ARG 26 -14.764 1.757 -16.946
251 HA ARG 26 HA ARG 26 -16.991 3.343 -16.003
252 1HB ARG 26 1HB ARG 26 -14.704 4.147 -15.732
253 2HB ARG 26 2HB ARG 26 -14.465 4.137 -17.480
254 1HG ARG 26 2HG ARG 26 -16.322 5.793 -17.702
255 2HG ARG 26 1HG ARG 26 -14.964 6.412 -16.761
256 1HD ARG 26 1HD ARG 26 -17.081 6.949 -15.639
257 2HD ARG 26 2HD ARG 26 -17.534 5.244 -15.643
258 HE ARG 26 HE ARG 26 -15.033 5.429 -14.339
259 1HH1 ARG 26 1HH1 ARG 26 -18.231 5.004 -13.667
260 2HH1 ARG 26 2HH1 ARG 26 -18.206 5.710 -12.084
261 1HH2 ARG 26 1HH2 ARG 26 -15.007 7.007 -12.426
262 2HH2 ARG 26 2HH2 ARG 26 -16.381 6.845 -11.383
263 QB ARG 26 QB ARG 26 -14.585 4.142 -16.606
264 QG ARG 26 QG ARG 26 -15.643 6.102 -17.231
265 QD ARG 26 QD ARG 26 -17.308 6.097 -15.641
266 QH1 ARG 26 QH1 ARG 26 -18.218 5.357 -12.875
267 QH2 ARG 26 QH2 ARG 26 -15.694 6.926 -11.904
268 H ASP 27 H ASP 27 -15.599 2.763 -19.245
269 HA ASP 27 HA ASP 27 -17.466 4.447 -20.634
270 1HB ASP 27 1HB ASP 27 -15.400 2.488 -21.331
271 2HB ASP 27 2HB ASP 27 -16.769 2.465 -22.445
272 QB ASP 27 QB ASP 27 -16.084 2.477 -21.888
273 H GLU 28 H GLU 28 -17.825 1.361 -19.168
274 HA GLU 28 HA GLU 28 -19.960 0.400 -20.878
275 1HB GLU 28 2HB GLU 28 -20.365 -1.242 -19.108
276 2HB GLU 28 1HB GLU 28 -19.378 -0.309 -17.981
277 1HG GLU 28 1HG GLU 28 -17.796 -0.722 -20.298
278 2HG GLU 28 2HG GLU 28 -17.569 -1.440 -18.702
279 QB GLU 28 QB GLU 28 -19.872 -0.776 -18.545
280 QG GLU 28 QG GLU 28 -17.682 -1.081 -19.500
281 H ILE 29 H ILE 29 -19.758 2.454 -18.015
282 HA ILE 29 HA ILE 29 -22.647 2.487 -17.641
283 HB ILE 29 HB ILE 29 -20.875 2.990 -15.851
284 1HG1 ILE 29 1HG1 ILE 29 -22.654 5.304 -15.707
285 2HG1 ILE 29 2HG1 ILE 29 -23.510 3.837 -16.180
286 1HG2 ILE 29 1HG2 ILE 29 -20.161 4.953 -17.724
287 2HG2 ILE 29 2HG2 ILE 29 -20.946 5.841 -16.417
288 3HG2 ILE 29 3HG2 ILE 29 -19.558 4.808 -16.073
289 1HD1 ILE 29 1HD1 ILE 29 -22.241 2.704 -14.231
290 2HD1 ILE 29 2HD1 ILE 29 -21.904 4.345 -13.679
291 3HD1 ILE 29 3HD1 ILE 29 -23.571 3.787 -13.819
292 MG ILE 29 MG ILE 29 -20.222 5.201 -16.738
293 MD ILE 29 MD ILE 29 -22.572 3.612 -13.910
294 QG ILE 29 QG ILE 29 -23.082 4.571 -15.944
295 H ASN 30 H ASN 30 -21.339 3.342 -20.277
296 HA ASN 30 HA ASN 30 -22.553 6.033 -20.521
297 1HB ASN 30 1HB ASN 30 -20.422 4.566 -22.060
298 2HB ASN 30 2HB ASN 30 -21.309 5.892 -22.815
299 2HD2 ASN 30 1HD2 ASN 30 -18.633 6.372 -22.473
300 1HD2 ASN 30 2HD2 ASN 30 -18.363 7.436 -21.178
301 QB ASN 30 QB ASN 30 -20.865 5.229 -22.437
302 QD ASN 30 QD ASN 30 -18.498 6.904 -21.826
303 H LYS 31 H LYS 31 -22.155 3.147 -22.626
304 HA LYS 31 HA LYS 31 -24.934 3.653 -23.588
305 1HB LYS 31 1HB LYS 31 -22.554 3.183 -24.985
306 2HB LYS 31 2HB LYS 31 -23.450 1.667 -25.100
307 1HG LYS 31 1HG LYS 31 -25.486 3.252 -25.635
308 2HG LYS 31 2HG LYS 31 -24.220 4.399 -26.075
309 1HD LYS 31 1HD LYS 31 -23.760 3.295 -27.988
310 2HD LYS 31 2HD LYS 31 -23.701 1.740 -27.156
311 1HE LYS 31 1HE LYS 31 -26.386 2.985 -27.524
312 2HE LYS 31 2HE LYS 31 -25.606 2.311 -28.956
313 1HZ LYS 31 1HZ LYS 31 -25.211 0.269 -27.552
314 2HZ LYS 31 2HZ LYS 31 -26.310 0.929 -26.436
315 3HZ LYS 31 3HZ LYS 31 -26.821 0.563 -28.012
316 QB LYS 31 QB LYS 31 -23.002 2.425 -25.042
317 QD LYS 31 QD LYS 31 -23.731 2.517 -27.572
318 QG LYS 31 QG LYS 31 -24.853 3.826 -25.855
319 QE LYS 31 QE LYS 31 -25.996 2.648 -28.240
320 QZ LYS 31 QZ LYS 31 -26.114 0.587 -27.333
321 H ARG 32 H ARG 32 -23.677 1.906 -21.197
322 HA ARG 32 HA ARG 32 -25.076 -0.625 -21.922
323 1HB ARG 32 1HB ARG 32 -22.645 -0.470 -20.911
324 2HB ARG 32 2HB ARG 32 -23.509 -0.269 -19.385
325 1HG ARG 32 1HG ARG 32 -24.597 -2.375 -19.604
326 2HG ARG 32 2HG ARG 32 -24.146 -2.516 -21.303
327 1HD ARG 32 1HD ARG 32 -21.827 -2.830 -20.744
328 2HD ARG 32 2HD ARG 32 -22.123 -2.422 -19.054
329 HE ARG 32 HE ARG 32 -22.718 -4.999 -20.336
330 1HH1 ARG 32 1HH1 ARG 32 -22.038 -3.425 -17.480
331 2HH1 ARG 32 2HH1 ARG 32 -23.084 -4.379 -16.484
332 1HH2 ARG 32 1HH2 ARG 32 -24.595 -5.993 -19.156
333 2HH2 ARG 32 2HH2 ARG 32 -24.532 -5.832 -17.432
334 QB ARG 32 QB ARG 32 -23.077 -0.370 -20.148
335 QG ARG 32 QG ARG 32 -24.372 -2.446 -20.453
336 QD ARG 32 QD ARG 32 -21.975 -2.626 -19.899
337 QH1 ARG 32 QH1 ARG 32 -22.561 -3.902 -16.982
338 QH2 ARG 32 QH2 ARG 32 -24.563 -5.913 -18.294
339 H GLY 33 H GLY 33 -27.150 0.619 -21.635
340 1HA GLY 33 1HA GLY 33 -29.062 1.095 -20.362
341 2HA GLY 33 2HA GLY 33 -28.386 0.006 -19.149
342 QA GLY 33 QA GLY 33 -28.724 0.551 -19.755
343 H ARG 34 H ARG 34 -27.680 0.903 -17.265
344 HA ARG 34 HA ARG 34 -28.171 3.601 -16.598
345 1HB ARG 34 1HB ARG 34 -26.052 1.839 -15.335
346 2HB ARG 34 2HB ARG 34 -26.902 3.189 -14.581
347 1HG ARG 34 1HG ARG 34 -29.003 1.647 -15.404
348 2HG ARG 34 2HG ARG 34 -27.804 0.410 -15.028
349 1HD ARG 34 1HD ARG 34 -27.441 1.589 -12.809
350 2HD ARG 34 2HD ARG 34 -28.852 2.577 -13.191
351 HE ARG 34 HE ARG 34 -30.233 0.576 -13.039
352 1HH1 ARG 34 1HH1 ARG 34 -27.165 -0.650 -13.398
353 2HH1 ARG 34 2HH1 ARG 34 -27.262 -1.793 -12.101
354 1HH2 ARG 34 1HH2 ARG 34 -30.259 -0.551 -10.879
355 2HH2 ARG 34 2HH2 ARG 34 -29.013 -1.738 -10.675
356 QB ARG 34 QB ARG 34 -26.477 2.514 -14.958
357 QG ARG 34 QG ARG 34 -28.403 1.028 -15.216
358 QD ARG 34 QD ARG 34 -28.146 2.083 -13.000
359 QH1 ARG 34 QH1 ARG 34 -27.213 -1.222 -12.750
360 QH2 ARG 34 QH2 ARG 34 -29.636 -1.145 -10.777
No H/Q in entry = 360
Start of MODEL 19
1 H1 MET 1 H1 MET 1 -5.282 10.966 -1.290
2 H2 MET 1 H2 MET 1 -4.086 10.224 -2.240
3 H3 MET 1 H3 MET 1 -3.662 10.970 -0.778
4 HA MET 1 HA MET 1 -3.009 12.502 -2.389
5 1HB MET 1 1HB MET 1 -4.871 11.174 -3.963
6 2HB MET 1 2HB MET 1 -5.571 12.782 -3.781
7 1HG MET 1 1HG MET 1 -3.943 13.764 -5.028
8 2HG MET 1 2HG MET 1 -2.669 12.781 -4.307
9 1HE MET 1 1HE MET 1 -5.785 12.770 -6.184
10 2HE MET 1 2HE MET 1 -4.968 12.997 -7.737
11 3HE MET 1 3HE MET 1 -5.732 11.457 -7.356
12 QB MET 1 QB MET 1 -5.221 11.978 -3.872
13 QG MET 1 QG MET 1 -3.306 13.272 -4.667
14 ME MET 1 ME MET 1 -5.495 12.408 -7.092
15 H SER 2 H SER 2 -5.032 12.314 0.046
16 HA SER 2 HA SER 2 -5.629 15.231 -0.021
17 1HB SER 2 1HB SER 2 -7.810 14.625 -0.344
18 2HB SER 2 2HB SER 2 -7.546 12.986 0.242
19 HG SER 2 HG SER 2 -7.577 15.298 1.890
20 QB SER 2 QB SER 2 -7.678 13.806 -0.051
21 H TRP 3 H TRP 3 -6.372 12.642 2.323
22 HA TRP 3 HA TRP 3 -4.213 13.048 4.091
23 1HB TRP 3 1HB TRP 3 -5.413 15.409 4.064
24 2HB TRP 3 2HB TRP 3 -6.508 14.636 5.196
25 HD1 TRP 3 HD1 TRP 3 -5.321 13.495 7.409
26 HE1 TRP 3 HE1 TRP 3 -3.271 14.309 8.745
27 HE3 TRP 3 HE3 TRP 3 -3.215 16.627 3.969
28 HZ2 TRP 3 HZ2 TRP 3 -1.037 16.059 8.399
29 HZ3 TRP 3 HZ3 TRP 3 -1.129 17.855 4.500
30 HH2 TRP 3 HH2 TRP 3 -0.038 17.575 6.708
31 QB TRP 3 QB TRP 3 -5.960 15.023 4.630
32 H ALA 4 H ALA 4 -7.578 13.287 5.260
33 HA ALA 4 HA ALA 4 -7.224 10.618 6.546
34 1HB ALA 4 1HB ALA 4 -8.106 12.929 7.589
35 2HB ALA 4 2HB ALA 4 -9.644 12.278 7.023
36 3HB ALA 4 3HB ALA 4 -8.659 11.354 8.157
37 MB ALA 4 MB ALA 4 -8.803 12.187 7.590
38 H LEU 5 H LEU 5 -9.786 12.262 4.473
39 HA LEU 5 HA LEU 5 -11.666 11.143 3.478
40 1HB LEU 5 1HB LEU 5 -9.231 9.790 2.621
41 2HB LEU 5 2HB LEU 5 -10.605 8.704 2.666
42 HG LEU 5 HG LEU 5 -11.898 10.312 1.298
43 1HD1 LEU 5 1HD1 LEU 5 -10.585 12.320 2.123
44 2HD1 LEU 5 2HD1 LEU 5 -9.287 11.827 1.035
45 3HD1 LEU 5 3HD1 LEU 5 -10.859 12.283 0.381
46 1HD2 LEU 5 1HD2 LEU 5 -9.232 9.310 0.297
47 2HD2 LEU 5 2HD2 LEU 5 -10.839 8.649 -0.008
48 3HD2 LEU 5 3HD2 LEU 5 -10.343 10.156 -0.778
49 MD1 LEU 5 MD1 LEU 5 -10.244 12.143 1.180
50 MD2 LEU 5 MD2 LEU 5 -10.138 9.372 -0.163
51 QB LEU 5 QB LEU 5 -9.918 9.247 2.644
52 QD LEU 5 QD LEU 5 -10.191 10.757 0.508
53 H GLU 6 H GLU 6 -11.127 11.033 6.168
54 HA GLU 6 HA GLU 6 -11.650 9.994 8.087
55 1HB GLU 6 1HB GLU 6 -13.839 9.703 6.587
56 2HB GLU 6 2HB GLU 6 -13.417 8.000 6.775
57 1HG GLU 6 1HG GLU 6 -13.276 9.577 9.266
58 2HG GLU 6 2HG GLU 6 -14.897 9.423 8.586
59 QB GLU 6 QB GLU 6 -13.628 8.851 6.681
60 QG GLU 6 QG GLU 6 -14.086 9.500 8.926
61 H MET 7 H MET 7 -9.292 9.197 7.309
62 HA MET 7 HA MET 7 -7.742 7.492 7.487
63 1HB MET 7 1HB MET 7 -8.231 6.654 9.501
64 2HB MET 7 2HB MET 7 -9.965 6.751 9.215
65 1HG MET 7 1HG MET 7 -8.326 4.600 7.885
66 2HG MET 7 2HG MET 7 -8.877 4.394 9.547
67 1HE MET 7 1HE MET 7 -9.404 2.411 8.205
68 2HE MET 7 2HE MET 7 -11.053 2.173 8.800
69 3HE MET 7 3HE MET 7 -10.733 2.205 7.068
70 QB MET 7 QB MET 7 -9.098 6.703 9.358
71 QG MET 7 QG MET 7 -8.601 4.497 8.716
72 ME MET 7 ME MET 7 -10.397 2.263 8.024
73 H ALA 8 H ALA 8 -10.593 7.316 5.737
74 HA ALA 8 HA ALA 8 -10.265 4.770 4.389
75 1HB ALA 8 1HB ALA 8 -12.332 6.502 4.406
76 2HB ALA 8 2HB ALA 8 -11.476 7.162 3.014
77 3HB ALA 8 3HB ALA 8 -12.022 5.491 2.997
78 MB ALA 8 MB ALA 8 -11.944 6.385 3.472
79 H ASP 9 H ASP 9 -9.284 8.103 4.094
80 HA ASP 9 HA ASP 9 -8.030 8.410 1.695
81 1HB ASP 9 1HB ASP 9 -7.790 10.127 3.365
82 2HB ASP 9 2HB ASP 9 -7.049 9.008 4.505
83 QB ASP 9 QB ASP 9 -7.420 9.568 3.935
84 H THR 10 H THR 10 -6.498 6.714 4.474
85 HA THR 10 HA THR 10 -4.158 5.868 3.126
86 HB THR 10 HB THR 10 -5.596 4.278 5.264
87 HG1 THR 10 HG1 THR 10 -4.948 5.715 6.677
88 1HG2 THR 10 1HG2 THR 10 -2.700 4.565 4.426
89 2HG2 THR 10 2HG2 THR 10 -3.218 3.742 5.897
90 3HG2 THR 10 3HG2 THR 10 -3.700 3.116 4.320
91 MG THR 10 MG THR 10 -3.206 3.808 4.881
92 H PHE 11 H PHE 11 -7.158 3.975 3.671
93 HA PHE 11 HA PHE 11 -6.455 1.680 2.228
94 1HB PHE 11 1HB PHE 11 -9.005 3.035 2.918
95 2HB PHE 11 2HB PHE 11 -9.082 1.858 1.606
96 HD1 PHE 11 HD1 PHE 11 -7.269 2.114 4.892
97 HD2 PHE 11 HD2 PHE 11 -9.720 -0.263 2.286
98 HE1 PHE 11 HE1 PHE 11 -7.225 0.261 6.540
99 HE2 PHE 11 HE2 PHE 11 -9.675 -2.116 3.932
100 HZ PHE 11 HZ PHE 11 -8.427 -1.854 6.059
101 QB PHE 11 QB PHE 11 -9.043 2.447 2.262
102 QD PHE 11 QD PHE 11 -8.495 0.926 3.589
103 QE PHE 11 QE PHE 11 -8.450 -0.928 5.236
104 QR PHE 11 QR PHE 11 -8.463 -0.372 4.742
105 H LEU 12 H LEU 12 -8.421 4.344 0.876
106 HA LEU 12 HA LEU 12 -8.499 3.611 -1.775
107 1HB LEU 12 1HB LEU 12 -9.602 5.624 -0.983
108 2HB LEU 12 2HB LEU 12 -8.047 6.389 -0.651
109 HG LEU 12 HG LEU 12 -7.481 6.410 -3.001
110 1HD1 LEU 12 1HD1 LEU 12 -10.048 4.831 -3.328
111 2HD1 LEU 12 2HD1 LEU 12 -9.155 5.541 -4.673
112 3HD1 LEU 12 3HD1 LEU 12 -8.411 4.282 -3.688
113 1HD2 LEU 12 1HD2 LEU 12 -9.835 7.685 -1.926
114 2HD2 LEU 12 2HD2 LEU 12 -8.687 8.310 -3.112
115 3HD2 LEU 12 3HD2 LEU 12 -10.074 7.359 -3.643
116 MD1 LEU 12 MD1 LEU 12 -9.204 4.885 -3.896
117 MD2 LEU 12 MD2 LEU 12 -9.532 7.785 -2.894
118 QB LEU 12 QB LEU 12 -8.824 6.006 -0.817
119 QD LEU 12 QD LEU 12 -9.368 6.335 -3.395
120 H ASP 13 H ASP 13 -5.792 5.389 -0.235
121 HA ASP 13 HA ASP 13 -4.235 5.569 -2.637
122 1HB ASP 13 1HB ASP 13 -3.914 6.868 -0.450
123 2HB ASP 13 2HB ASP 13 -3.078 5.436 0.150
124 QB ASP 13 QB ASP 13 -3.496 6.152 -0.150
125 H ASN 14 H ASN 14 -4.442 3.072 -0.136
126 HA ASN 14 HA ASN 14 -2.188 1.570 -1.225
127 1HB ASN 14 1HB ASN 14 -4.066 1.310 1.048
128 2HB ASN 14 2HB ASN 14 -3.491 -0.214 0.367
129 2HD2 ASN 14 1HD2 ASN 14 -0.954 -0.153 -0.077
130 1HD2 ASN 14 2HD2 ASN 14 -0.017 0.533 1.163
131 QB ASN 14 QB ASN 14 -3.779 0.548 0.708
132 QD ASN 14 QD ASN 14 -0.486 0.190 0.543
133 H MET 15 H MET 15 -5.138 2.111 -2.499
134 HA MET 15 HA MET 15 -5.545 -0.707 -3.387
135 1HB MET 15 1HB MET 15 -7.289 1.709 -3.201
136 2HB MET 15 2HB MET 15 -7.626 0.559 -4.496
137 1HG MET 15 1HG MET 15 -7.889 -1.251 -2.935
138 2HG MET 15 2HG MET 15 -7.288 -0.263 -1.603
139 1HE MET 15 1HE MET 15 -8.657 -0.452 -0.107
140 2HE MET 15 2HE MET 15 -10.127 0.492 0.119
141 3HE MET 15 3HE MET 15 -10.224 -1.176 -0.462
142 QB MET 15 QB MET 15 -7.458 1.134 -3.848
143 QG MET 15 QG MET 15 -7.589 -0.757 -2.269
144 ME MET 15 ME MET 15 -9.670 -0.379 -0.150
145 H ARG 16 H ARG 16 -3.325 0.057 -4.530
146 HA ARG 16 HA ARG 16 -3.864 1.466 -7.062
147 1HB ARG 16 1HB ARG 16 -1.616 1.216 -5.433
148 2HB ARG 16 2HB ARG 16 -1.242 0.206 -6.829
149 1HG ARG 16 2HG ARG 16 -2.429 2.529 -7.887
150 2HG ARG 16 1HG ARG 16 -0.724 2.081 -7.961
151 1HD ARG 16 1HD ARG 16 -1.964 3.512 -5.596
152 2HD ARG 16 2HD ARG 16 -0.248 3.266 -5.920
153 HE ARG 16 HE ARG 16 -2.015 5.093 -7.495
154 1HH1 ARG 16 1HH1 ARG 16 0.627 3.894 -8.624
155 2HH1 ARG 16 2HH1 ARG 16 1.699 5.227 -8.353
156 1HH2 ARG 16 1HH2 ARG 16 -0.448 6.856 -6.175
157 2HH2 ARG 16 2HH2 ARG 16 1.094 6.900 -6.964
158 QB ARG 16 QB ARG 16 -1.429 0.711 -6.131
159 QG ARG 16 QG ARG 16 -1.577 2.305 -7.924
160 QD ARG 16 QD ARG 16 -1.106 3.389 -5.758
161 QH1 ARG 16 QH1 ARG 16 1.163 4.561 -8.489
162 QH2 ARG 16 QH2 ARG 16 0.323 6.878 -6.569
163 H VAL 17 H VAL 17 -3.759 -1.721 -5.852
164 HA VAL 17 HA VAL 17 -3.592 -2.813 -8.631
165 HB VAL 17 HB VAL 17 -2.916 -4.918 -7.650
166 1HG1 VAL 17 1HG1 VAL 17 -1.176 -3.155 -7.900
167 2HG1 VAL 17 2HG1 VAL 17 -1.481 -2.648 -6.239
168 3HG1 VAL 17 3HG1 VAL 17 -0.825 -4.252 -6.565
169 1HG2 VAL 17 1HG2 VAL 17 -4.462 -4.608 -5.631
170 2HG2 VAL 17 2HG2 VAL 17 -2.891 -5.336 -5.294
171 3HG2 VAL 17 3HG2 VAL 17 -3.172 -3.636 -4.920
172 MG1 VAL 17 MG1 VAL 17 -1.160 -3.352 -6.901
173 MG2 VAL 17 MG2 VAL 17 -3.508 -4.527 -5.282
174 QG VAL 17 QG VAL 17 -2.334 -3.939 -6.091
175 H GLY 18 H GLY 18 -5.956 -1.674 -6.970
176 1HA GLY 18 1HA GLY 18 -7.691 -3.988 -6.580
177 2HA GLY 18 2HA GLY 18 -8.181 -2.296 -6.478
178 QA GLY 18 QA GLY 18 -7.936 -3.142 -6.529
179 1HB PRO 19 1HB PRO 19 -12.449 -3.179 -9.925
180 2HB PRO 19 2HB PRO 19 -11.790 -4.752 -9.442
181 1HG PRO 19 2HG PRO 19 -12.333 -4.078 -7.300
182 2HG PRO 19 1HG PRO 19 -12.385 -2.367 -7.755
183 1HD PRO 19 1HD PRO 19 -10.307 -2.160 -6.796
184 2HD PRO 19 2HD PRO 19 -10.142 -3.923 -6.640
185 QB PRO 19 QB PRO 19 -12.119 -3.966 -9.683
186 QG PRO 19 QG PRO 19 -12.359 -3.222 -7.527
187 QD PRO 19 QD PRO 19 -10.224 -3.042 -6.718
188 H ARG 20 H ARG 20 -10.586 -0.926 -8.711
189 HA ARG 20 HA ARG 20 -9.716 0.709 -10.910
190 1HB ARG 20 1HB ARG 20 -11.956 -0.200 -11.749
191 2HB ARG 20 2HB ARG 20 -12.709 0.756 -10.471
192 1HG ARG 20 2HG ARG 20 -11.128 2.655 -11.523
193 2HG ARG 20 1HG ARG 20 -12.752 2.338 -12.138
194 1HD ARG 20 1HD ARG 20 -10.116 1.344 -13.247
195 2HD ARG 20 2HD ARG 20 -11.669 0.671 -13.741
196 HE ARG 20 HE ARG 20 -10.790 3.476 -14.246
197 1HH1 ARG 20 1HH1 ARG 20 -13.654 1.826 -14.015
198 2HH1 ARG 20 2HH1 ARG 20 -14.161 2.080 -15.652
199 1HH2 ARG 20 1HH2 ARG 20 -11.110 3.373 -16.673
200 2HH2 ARG 20 2HH2 ARG 20 -12.720 2.956 -17.156
201 QB ARG 20 QB ARG 20 -12.332 0.278 -11.110
202 QG ARG 20 QG ARG 20 -11.940 2.497 -11.831
203 QD ARG 20 QD ARG 20 -10.892 1.008 -13.494
204 QH1 ARG 20 QH1 ARG 20 -13.908 1.953 -14.833
205 QH2 ARG 20 QH2 ARG 20 -11.915 3.164 -16.915
206 H THR 21 H THR 21 -12.012 0.618 -8.171
207 HA THR 21 HA THR 21 -12.450 2.278 -6.542
208 HB THR 21 HB THR 21 -10.708 1.465 -5.280
209 HG1 THR 21 HG1 THR 21 -10.407 3.455 -4.634
210 1HG2 THR 21 1HG2 THR 21 -9.510 0.626 -7.328
211 2HG2 THR 21 2HG2 THR 21 -8.738 2.206 -7.457
212 3HG2 THR 21 3HG2 THR 21 -8.434 1.189 -6.050
213 MG THR 21 MG THR 21 -8.894 1.341 -6.945
214 H TYR 22 H TYR 22 -13.358 3.994 -7.740
215 HA TYR 22 HA TYR 22 -12.120 6.500 -7.636
216 1HB TYR 22 1HB TYR 22 -10.940 4.946 -9.665
217 2HB TYR 22 2HB TYR 22 -11.986 6.099 -10.497
218 HD1 TYR 22 HD1 TYR 22 -11.898 8.572 -9.522
219 HD2 TYR 22 HD2 TYR 22 -8.792 5.641 -9.069
220 HE1 TYR 22 HE1 TYR 22 -10.255 10.381 -9.103
221 HE2 TYR 22 HE2 TYR 22 -7.147 7.452 -8.648
222 HH TYR 22 HH TYR 22 -7.930 10.796 -9.151
223 QB TYR 22 QB TYR 22 -11.463 5.523 -10.081
224 QD TYR 22 QD TYR 22 -10.345 7.106 -9.295
225 QE TYR 22 QE TYR 22 -8.701 8.916 -8.875
226 QR TYR 22 QR TYR 22 -9.523 8.011 -9.085
227 H ALA 23 H ALA 23 -14.184 4.557 -9.845
228 HA ALA 23 HA ALA 23 -15.754 6.657 -10.836
229 1HB ALA 23 3HB ALA 23 -17.088 5.028 -11.707
230 2HB ALA 23 2HB ALA 23 -17.236 4.196 -10.159
231 3HB ALA 23 1HB ALA 23 -15.794 3.966 -11.149
232 MB ALA 23 MB ALA 23 -16.706 4.397 -11.005
233 H ASP 24 H ASP 24 -16.138 4.890 -7.844
234 HA ASP 24 HA ASP 24 -18.583 6.225 -7.066
235 1HB ASP 24 1HB ASP 24 -17.436 3.969 -6.212
236 2HB ASP 24 2HB ASP 24 -16.771 5.064 -4.999
237 QB ASP 24 QB ASP 24 -17.103 4.517 -5.606
238 H VAL 25 H VAL 25 -15.445 6.370 -5.348
239 HA VAL 25 HA VAL 25 -15.865 8.603 -3.799
240 HB VAL 25 HB VAL 25 -13.371 7.790 -5.305
241 1HG1 VAL 25 1HG1 VAL 25 -13.932 10.279 -3.941
242 2HG1 VAL 25 2HG1 VAL 25 -12.679 9.384 -3.082
243 3HG1 VAL 25 3HG1 VAL 25 -12.465 9.785 -4.785
244 1HG2 VAL 25 1HG2 VAL 25 -14.680 7.095 -2.771
245 2HG2 VAL 25 2HG2 VAL 25 -13.430 6.226 -3.663
246 3HG2 VAL 25 3HG2 VAL 25 -12.985 7.539 -2.573
247 MG1 VAL 25 MG1 VAL 25 -13.025 9.816 -3.936
248 MG2 VAL 25 MG2 VAL 25 -13.698 6.954 -3.002
249 QG VAL 25 QG VAL 25 -13.362 8.385 -3.469
250 H ARG 26 H ARG 26 -14.872 8.655 -7.214
251 HA ARG 26 HA ARG 26 -14.763 11.524 -7.410
252 1HB ARG 26 1HB ARG 26 -13.615 10.156 -9.055
253 2HB ARG 26 2HB ARG 26 -15.129 9.383 -9.526
254 1HG ARG 26 1HG ARG 26 -15.985 11.413 -10.455
255 2HG ARG 26 2HG ARG 26 -14.692 12.367 -9.731
256 1HD ARG 26 1HD ARG 26 -13.374 10.402 -11.231
257 2HD ARG 26 2HD ARG 26 -14.710 10.931 -12.254
258 HE ARG 26 HE ARG 26 -13.768 13.153 -12.268
259 1HH1 ARG 26 1HH1 ARG 26 -12.452 11.691 -9.556
260 2HH1 ARG 26 2HH1 ARG 26 -10.844 12.291 -9.789
261 1HH2 ARG 26 1HH2 ARG 26 -11.503 13.582 -12.942
262 2HH2 ARG 26 2HH2 ARG 26 -10.307 13.364 -11.707
263 QB ARG 26 QB ARG 26 -14.372 9.769 -9.291
264 QG ARG 26 QG ARG 26 -15.339 11.890 -10.093
265 QD ARG 26 QD ARG 26 -14.042 10.667 -11.742
266 QH1 ARG 26 QH1 ARG 26 -11.648 11.991 -9.672
267 QH2 ARG 26 QH2 ARG 26 -10.905 13.473 -12.325
268 H ASP 27 H ASP 27 -17.320 9.134 -8.058
269 HA ASP 27 HA ASP 27 -19.199 10.957 -9.203
270 1HB ASP 27 1HB ASP 27 -19.410 8.460 -9.253
271 2HB ASP 27 2HB ASP 27 -19.811 8.498 -7.535
272 QB ASP 27 QB ASP 27 -19.611 8.479 -8.394
273 H GLU 28 H GLU 28 -18.094 10.565 -5.959
274 HA GLU 28 HA GLU 28 -20.419 11.554 -4.591
275 1HB GLU 28 1HB GLU 28 -18.462 10.428 -3.481
276 2HB GLU 28 2HB GLU 28 -17.521 11.892 -3.766
277 1HG GLU 28 1HG GLU 28 -19.393 13.154 -2.556
278 2HG GLU 28 2HG GLU 28 -19.980 11.572 -2.038
279 QB GLU 28 QB GLU 28 -17.991 11.160 -3.623
280 QG GLU 28 QG GLU 28 -19.687 12.363 -2.297
281 H ILE 29 H ILE 29 -17.784 13.103 -6.328
282 HA ILE 29 HA ILE 29 -18.252 15.745 -5.326
283 HB ILE 29 HB ILE 29 -16.183 14.985 -6.534
284 1HG1 ILE 29 1HG1 ILE 29 -16.857 17.264 -8.180
285 2HG1 ILE 29 2HG1 ILE 29 -17.498 17.486 -6.551
286 1HG2 ILE 29 1HG2 ILE 29 -18.023 14.206 -8.468
287 2HG2 ILE 29 2HG2 ILE 29 -17.283 15.649 -9.160
288 3HG2 ILE 29 3HG2 ILE 29 -16.274 14.284 -8.683
289 1HD1 ILE 29 1HD1 ILE 29 -14.772 16.379 -6.615
290 2HD1 ILE 29 2HD1 ILE 29 -14.900 18.004 -7.288
291 3HD1 ILE 29 3HD1 ILE 29 -15.433 17.690 -5.636
292 MG ILE 29 MG ILE 29 -17.193 14.713 -8.770
293 MD ILE 29 MD ILE 29 -15.035 17.358 -6.513
294 QG ILE 29 QG ILE 29 -17.177 17.375 -7.365
295 H ASN 30 H ASN 30 -20.456 13.999 -6.873
296 HA ASN 30 HA ASN 30 -21.442 16.126 -8.657
297 1HB ASN 30 1HB ASN 30 -21.568 13.803 -9.466
298 2HB ASN 30 2HB ASN 30 -22.548 13.366 -8.066
299 2HD2 ASN 30 1HD2 ASN 30 -22.676 16.191 -10.312
300 1HD2 ASN 30 2HD2 ASN 30 -24.312 15.987 -10.707
301 QB ASN 30 QB ASN 30 -22.058 13.584 -8.766
302 QD ASN 30 QD ASN 30 -23.494 16.089 -10.509
303 H LYS 31 H LYS 31 -22.877 14.105 -6.069
304 HA LYS 31 HA LYS 31 -24.974 16.044 -5.564
305 1HB LYS 31 1HB LYS 31 -24.148 13.406 -4.497
306 2HB LYS 31 2HB LYS 31 -24.984 14.455 -3.354
307 1HG LYS 31 1HG LYS 31 -26.470 14.751 -5.676
308 2HG LYS 31 2HG LYS 31 -26.039 13.040 -5.688
309 1HD LYS 31 1HD LYS 31 -27.267 12.574 -3.813
310 2HD LYS 31 2HD LYS 31 -26.930 14.142 -3.079
311 1HE LYS 31 1HE LYS 31 -28.527 15.229 -4.571
312 2HE LYS 31 2HE LYS 31 -28.813 13.706 -5.415
313 1HZ LYS 31 1HZ LYS 31 -29.546 12.782 -3.239
314 2HZ LYS 31 2HZ LYS 31 -29.459 14.349 -2.590
315 3HZ LYS 31 3HZ LYS 31 -30.551 14.006 -3.846
316 QB LYS 31 QB LYS 31 -24.566 13.930 -3.925
317 QD LYS 31 QD LYS 31 -27.099 13.358 -3.446
318 QG LYS 31 QG LYS 31 -26.255 13.896 -5.682
319 QE LYS 31 QE LYS 31 -28.670 14.467 -4.993
320 QZ LYS 31 QZ LYS 31 -29.852 13.712 -3.225
321 H ARG 32 H ARG 32 -21.728 15.551 -4.366
322 HA ARG 32 HA ARG 32 -22.219 17.245 -1.996
323 1HB ARG 32 2HB ARG 32 -20.621 15.238 -2.041
324 2HB ARG 32 1HB ARG 32 -19.995 16.726 -1.334
325 1HG ARG 32 2HG ARG 32 -19.562 16.626 -4.217
326 2HG ARG 32 1HG ARG 32 -18.813 15.259 -3.392
327 1HD ARG 32 1HD ARG 32 -18.317 17.566 -1.807
328 2HD ARG 32 2HD ARG 32 -17.148 16.615 -2.720
329 HE ARG 32 HE ARG 32 -18.246 18.234 -4.649
330 1HH1 ARG 32 1HH1 ARG 32 -18.415 19.662 -1.736
331 2HH1 ARG 32 2HH1 ARG 32 -17.177 20.846 -1.988
332 1HH2 ARG 32 1HH2 ARG 32 -15.991 19.373 -4.896
333 2HH2 ARG 32 2HH2 ARG 32 -15.805 20.684 -3.777
334 QB ARG 32 QB ARG 32 -20.308 15.982 -1.688
335 QG ARG 32 QG ARG 32 -19.187 15.942 -3.805
336 QD ARG 32 QD ARG 32 -17.732 17.090 -2.263
337 QH1 ARG 32 QH1 ARG 32 -17.796 20.254 -1.862
338 QH2 ARG 32 QH2 ARG 32 -15.898 20.028 -4.337
339 H GLY 33 H GLY 33 -22.473 18.282 -4.820
340 1HA GLY 33 1HA GLY 33 -20.620 20.595 -4.465
341 2HA GLY 33 2HA GLY 33 -20.796 19.844 -6.052
342 QA GLY 33 QA GLY 33 -20.708 20.219 -5.259
343 H ARG 34 H ARG 34 -22.398 20.619 -7.352
344 HA ARG 34 HA ARG 34 -24.988 21.392 -6.606
345 1HB ARG 34 1HB ARG 34 -24.732 23.920 -6.701
346 2HB ARG 34 2HB ARG 34 -24.102 23.159 -5.240
347 1HG ARG 34 1HG ARG 34 -21.832 23.114 -6.360
348 2HG ARG 34 2HG ARG 34 -22.522 24.111 -7.640
349 1HD ARG 34 1HD ARG 34 -23.119 25.838 -5.997
350 2HD ARG 34 2HD ARG 34 -22.469 24.839 -4.696
351 HE ARG 34 HE ARG 34 -20.469 25.282 -6.726
352 1HH1 ARG 34 1HH1 ARG 34 -19.404 25.416 -4.142
353 2HH1 ARG 34 2HH1 ARG 34 -19.347 27.099 -3.734
354 1HH2 ARG 34 1HH2 ARG 34 -21.597 28.041 -6.202
355 2HH2 ARG 34 2HH2 ARG 34 -20.589 28.587 -4.905
356 QB ARG 34 QB ARG 34 -24.417 23.539 -5.971
357 QG ARG 34 QG ARG 34 -22.177 23.612 -7.000
358 QD ARG 34 QD ARG 34 -22.794 25.339 -5.347
359 QH1 ARG 34 QH1 ARG 34 -19.375 26.257 -3.938
360 QH2 ARG 34 QH2 ARG 34 -21.093 28.314 -5.553
No H/Q in entry = 360