Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
13066 | 1u2u RC | 6301 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 0 1H ACE 0 -21.416 5.867 -5.525
2 2H ACE 0 2H ACE 0 -22.021 4.566 -4.500
3 3H ACE 0 3H ACE 0 -22.369 4.559 -6.228
4 H GLU 1 H GLU 1 -19.457 4.907 -4.183
5 HA GLU 1 HA GLU 1 -17.945 3.301 -6.077
6 1HB GLU 1 1HB GLU 1 -17.337 5.409 -4.263
7 2HB GLU 1 2HB GLU 1 -16.382 4.008 -3.800
8 1HG GLU 1 1HG GLU 1 -15.069 4.145 -5.607
9 2HG GLU 1 2HG GLU 1 -16.404 4.574 -6.675
10 H VAL 2 H VAL 2 -20.025 2.183 -4.248
11 HA VAL 2 HA VAL 2 -18.804 0.647 -2.242
12 HB VAL 2 HB VAL 2 -21.394 0.493 -3.717
13 1HG1 VAL 2 1HG1 VAL 2 -20.148 -1.693 -2.217
14 2HG1 VAL 2 2HG1 VAL 2 -21.762 -1.271 -1.649
15 3HG1 VAL 2 3HG1 VAL 2 -21.508 -1.716 -3.337
16 1HG2 VAL 2 1HG2 VAL 2 -20.455 1.321 -1.000
17 2HG2 VAL 2 2HG2 VAL 2 -21.575 2.128 -2.096
18 3HG2 VAL 2 3HG2 VAL 2 -22.104 0.724 -1.169
19 H ALA 3 H ALA 3 -19.443 0.034 -5.618
20 HA ALA 3 HA ALA 3 -18.397 -2.652 -5.483
21 1HB ALA 3 1HB ALA 3 -20.268 -1.840 -7.019
22 2HB ALA 3 2HB ALA 3 -18.990 -1.106 -7.987
23 3HB ALA 3 3HB ALA 3 -19.015 -2.852 -7.736
24 H GLN 4 H GLN 4 -17.126 0.394 -5.490
25 HA GLN 4 HA GLN 4 -14.806 -0.184 -7.131
26 1HB GLN 4 1HB GLN 4 -15.961 2.228 -5.844
27 2HB GLN 4 2HB GLN 4 -14.213 2.192 -6.031
28 1HG GLN 4 1HG GLN 4 -15.687 1.408 -8.429
29 2HG GLN 4 2HG GLN 4 -15.980 3.066 -7.905
30 1HE2 GLN 4 2HE2 GLN 4 -13.651 3.926 -6.976
31 2HE2 GLN 4 1HE2 GLN 4 -12.423 3.872 -8.190
32 H LEU 5 H LEU 5 -15.643 0.322 -3.700
33 HA LEU 5 HA LEU 5 -13.025 0.240 -2.698
34 1HB LEU 5 1HB LEU 5 -15.485 -0.854 -1.338
35 2HB LEU 5 2HB LEU 5 -13.960 -0.513 -0.565
36 HG LEU 5 HG LEU 5 -16.181 1.293 -1.257
37 1HD1 LEU 5 1HD1 LEU 5 -14.228 0.823 0.900
38 2HD1 LEU 5 2HD1 LEU 5 -14.867 2.449 0.725
39 3HD1 LEU 5 3HD1 LEU 5 -15.965 1.095 0.977
40 1HD2 LEU 5 1HD2 LEU 5 -13.317 2.224 -1.486
41 2HD2 LEU 5 2HD2 LEU 5 -14.518 2.205 -2.778
42 3HD2 LEU 5 3HD2 LEU 5 -14.734 3.271 -1.390
43 H GLU 6 H GLU 6 -15.361 -2.343 -3.334
44 HA GLU 6 HA GLU 6 -13.979 -4.517 -2.329
45 1HB GLU 6 1HB GLU 6 -15.821 -4.179 -4.658
46 2HB GLU 6 2HB GLU 6 -15.069 -5.738 -4.366
47 1HG GLU 6 1HG GLU 6 -16.679 -4.261 -2.300
48 2HG GLU 6 2HG GLU 6 -17.366 -5.446 -3.410
49 H LYS 7 H LYS 7 -13.323 -2.609 -5.142
50 HA LYS 7 HA LYS 7 -11.250 -4.485 -6.000
51 1HB LYS 7 1HB LYS 7 -11.533 -2.150 -7.699
52 2HB LYS 7 2HB LYS 7 -11.661 -3.852 -8.113
53 1HG LYS 7 1HG LYS 7 -13.908 -2.299 -6.851
54 2HG LYS 7 2HG LYS 7 -13.684 -2.443 -8.594
55 1HD LYS 7 1HD LYS 7 -13.946 -4.798 -6.731
56 2HD LYS 7 2HD LYS 7 -15.300 -4.082 -7.613
57 1HE LYS 7 1HE LYS 7 -13.815 -4.447 -9.701
58 2HE LYS 7 2HE LYS 7 -12.922 -5.567 -8.673
59 1HZ LYS 7 1HZ LYS 7 -15.791 -5.913 -8.627
60 2HZ LYS 7 2HZ LYS 7 -15.075 -6.229 -10.126
61 3HZ LYS 7 3HZ LYS 7 -14.561 -7.069 -8.751
62 H GLU 8 H GLU 8 -11.758 -1.400 -4.543
63 HA GLU 8 HA GLU 8 -9.212 -0.266 -5.062
64 1HB GLU 8 1HB GLU 8 -11.252 0.991 -4.310
65 2HB GLU 8 2HB GLU 8 -11.017 0.304 -2.709
66 1HG GLU 8 1HG GLU 8 -9.022 1.482 -2.374
67 2HG GLU 8 2HG GLU 8 -8.868 1.875 -4.085
68 H VAL 9 H VAL 9 -10.329 -2.667 -2.849
69 HA VAL 9 HA VAL 9 -8.125 -2.368 -1.008
70 HB VAL 9 HB VAL 9 -10.235 -4.517 -1.269
71 1HG1 VAL 9 1HG1 VAL 9 -7.760 -4.450 0.294
72 2HG1 VAL 9 2HG1 VAL 9 -9.206 -4.778 1.249
73 3HG1 VAL 9 3HG1 VAL 9 -8.803 -5.809 -0.123
74 1HG2 VAL 9 1HG2 VAL 9 -9.845 -2.277 0.712
75 2HG2 VAL 9 2HG2 VAL 9 -11.103 -2.386 -0.519
76 3HG2 VAL 9 3HG2 VAL 9 -11.084 -3.527 0.825
77 H ALA 10 H ALA 10 -9.139 -4.869 -3.343
78 HA ALA 10 HA ALA 10 -6.859 -6.468 -3.168
79 1HB ALA 10 1HB ALA 10 -9.181 -6.650 -4.526
80 2HB ALA 10 2HB ALA 10 -8.081 -6.235 -5.841
81 3HB ALA 10 3HB ALA 10 -7.774 -7.663 -4.851
82 H GLN 11 H GLN 11 -7.360 -3.401 -4.669
83 HA GLN 11 HA GLN 11 -5.233 -3.473 -6.538
84 1HB GLN 11 1HB GLN 11 -7.048 -1.847 -6.712
85 2HB GLN 11 2HB GLN 11 -6.574 -1.127 -5.181
86 1HG GLN 11 1HG GLN 11 -4.259 -0.990 -6.631
87 2HG GLN 11 2HG GLN 11 -5.497 -0.728 -7.858
88 1HE2 GLN 11 2HE2 GLN 11 -4.881 1.416 -8.137
89 2HE2 GLN 11 1HE2 GLN 11 -5.247 2.637 -6.971
90 H LEU 12 H LEU 12 -5.483 -1.936 -3.318
91 HA LEU 12 HA LEU 12 -2.668 -1.379 -3.244
92 1HB LEU 12 1HB LEU 12 -4.638 -1.309 -0.959
93 2HB LEU 12 2HB LEU 12 -3.062 -0.544 -1.014
94 HG LEU 12 HG LEU 12 -5.309 0.203 -2.877
95 1HD1 LEU 12 1HD1 LEU 12 -5.963 0.609 -0.549
96 2HD1 LEU 12 2HD1 LEU 12 -4.483 1.532 -0.305
97 3HD1 LEU 12 3HD1 LEU 12 -5.705 2.113 -1.433
98 1HD2 LEU 12 1HD2 LEU 12 -2.687 1.504 -2.155
99 2HD2 LEU 12 2HD2 LEU 12 -3.135 0.806 -3.712
100 3HD2 LEU 12 3HD2 LEU 12 -3.946 2.261 -3.132
101 H GLU 13 H GLU 13 -4.819 -3.697 -1.613
102 HA GLU 13 HA GLU 13 -3.047 -4.919 0.089
103 1HB GLU 13 1HB GLU 13 -5.459 -5.832 -1.383
104 2HB GLU 13 2HB GLU 13 -4.440 -7.079 -0.678
105 1HG GLU 13 1HG GLU 13 -4.645 -6.002 1.510
106 2HG GLU 13 2HG GLU 13 -5.687 -4.771 0.799
107 H ALA 14 H ALA 14 -3.179 -5.128 -3.379
108 HA ALA 14 HA ALA 14 -1.399 -7.399 -3.535
109 1HB ALA 14 1HB ALA 14 -3.239 -6.747 -5.217
110 2HB ALA 14 2HB ALA 14 -2.058 -5.591 -5.833
111 3HB ALA 14 3HB ALA 14 -1.692 -7.317 -5.843
112 H GLU 15 H GLU 15 -1.205 -3.908 -3.707
113 HA GLU 15 HA GLU 15 1.588 -3.955 -4.512
114 1HB GLU 15 1HB GLU 15 -0.104 -2.217 -5.289
115 2HB GLU 15 2HB GLU 15 -0.019 -1.546 -3.666
116 1HG GLU 15 1HG GLU 15 1.425 -0.298 -5.109
117 2HG GLU 15 2HG GLU 15 2.407 -1.215 -3.967
118 H ASN 16 H ASN 16 -0.269 -2.628 -1.768
119 HA ASN 16 HA ASN 16 1.774 -1.869 -0.115
120 1HB ASN 16 1HB ASN 16 -0.538 -1.434 0.439
121 2HB ASN 16 2HB ASN 16 -0.874 -3.151 0.604
122 1HD2 ASN 16 2HD2 ASN 16 -1.052 -0.801 2.441
123 2HD2 ASN 16 1HD2 ASN 16 -0.212 -1.289 3.868
124 H TYR 17 H TYR 17 0.598 -5.120 -0.729
125 HA TYR 17 HA TYR 17 2.198 -6.314 1.348
126 1HB TYR 17 1HB TYR 17 0.132 -7.402 0.798
127 2HB TYR 17 2HB TYR 17 0.561 -7.483 -0.907
128 HD1 TYR 17 HD1 TYR 17 1.442 -8.800 2.447
129 HD2 TYR 17 HD2 TYR 17 1.765 -9.320 -1.763
130 HE1 TYR 17 HE1 TYR 17 2.402 -11.036 2.802
131 HE2 TYR 17 HE2 TYR 17 2.725 -11.557 -1.420
132 HH TYR 17 HH TYR 17 2.714 -13.317 0.341
133 H GLN 18 H GLN 18 2.457 -5.788 -2.114
134 HA GLN 18 HA GLN 18 4.661 -7.508 -2.560
135 1HB GLN 18 1HB GLN 18 3.004 -5.889 -4.125
136 2HB GLN 18 2HB GLN 18 4.616 -5.224 -4.346
137 1HG GLN 18 1HG GLN 18 4.114 -8.161 -4.611
138 2HG GLN 18 2HG GLN 18 3.798 -7.055 -5.947
139 1HE2 GLN 18 2HE2 GLN 18 5.385 -7.041 -7.351
140 2HE2 GLN 18 1HE2 GLN 18 7.071 -7.159 -6.994
141 H LEU 19 H LEU 19 4.386 -4.238 -1.384
142 HA LEU 19 HA LEU 19 7.223 -3.715 -1.689
143 1HB LEU 19 1HB LEU 19 5.162 -2.057 -0.251
144 2HB LEU 19 2HB LEU 19 6.751 -1.539 -0.777
145 HG LEU 19 HG LEU 19 4.414 -2.236 -2.556
146 1HD1 LEU 19 1HD1 LEU 19 4.554 0.001 -1.256
147 2HD1 LEU 19 2HD1 LEU 19 5.814 0.401 -2.422
148 3HD1 LEU 19 3HD1 LEU 19 4.184 0.025 -2.980
149 1HD2 LEU 19 1HD2 LEU 19 7.301 -1.911 -3.097
150 2HD2 LEU 19 2HD2 LEU 19 6.081 -2.849 -3.958
151 3HD2 LEU 19 3HD2 LEU 19 6.192 -1.107 -4.208
152 H GLU 20 H GLU 20 4.923 -3.981 1.022
153 HA GLU 20 HA GLU 20 6.612 -3.671 3.148
154 1HB GLU 20 1HB GLU 20 4.021 -4.353 2.908
155 2HB GLU 20 2HB GLU 20 4.684 -5.908 3.391
156 1HG GLU 20 1HG GLU 20 5.700 -3.755 5.031
157 2HG GLU 20 2HG GLU 20 3.939 -3.826 5.054
158 H GLN 21 H GLN 21 6.422 -6.396 0.988
159 HA GLN 21 HA GLN 21 8.027 -8.098 2.693
160 1HB GLN 21 1HB GLN 21 6.210 -8.571 0.667
161 2HB GLN 21 2HB GLN 21 7.753 -8.931 -0.093
162 1HG GLN 21 1HG GLN 21 6.811 -10.932 0.859
163 2HG GLN 21 2HG GLN 21 8.277 -10.483 1.730
164 1HE2 GLN 21 2HE2 GLN 21 8.178 -10.175 3.866
165 2HE2 GLN 21 1HE2 GLN 21 6.728 -10.205 4.805
166 H GLU 22 H GLU 22 8.491 -5.946 -0.013
167 HA GLU 22 HA GLU 22 11.207 -6.881 -0.470
168 1HB GLU 22 1HB GLU 22 9.411 -5.923 -2.195
169 2HB GLU 22 2HB GLU 22 10.179 -4.403 -1.757
170 1HG GLU 22 1HG GLU 22 12.107 -4.910 -2.813
171 2HG GLU 22 2HG GLU 22 11.985 -6.630 -2.447
172 H VAL 23 H VAL 23 9.528 -4.182 0.993
173 HA VAL 23 HA VAL 23 11.821 -2.532 1.354
174 HB VAL 23 HB VAL 23 9.307 -2.434 3.015
175 1HG1 VAL 23 1HG1 VAL 23 11.625 -0.675 2.560
176 2HG1 VAL 23 2HG1 VAL 23 10.052 0.121 2.582
177 3HG1 VAL 23 3HG1 VAL 23 10.576 -0.834 3.969
178 1HG2 VAL 23 1HG2 VAL 23 9.470 -2.202 0.204
179 2HG2 VAL 23 2HG2 VAL 23 8.093 -1.848 1.247
180 3HG2 VAL 23 3HG2 VAL 23 9.245 -0.575 0.844
181 H ALA 24 H ALA 24 10.344 -5.113 3.171
182 HA ALA 24 HA ALA 24 11.511 -4.636 5.681
183 1HB ALA 24 1HB ALA 24 9.654 -6.186 5.354
184 2HB ALA 24 2HB ALA 24 10.710 -7.267 4.443
185 3HB ALA 24 3HB ALA 24 11.010 -6.978 6.157
186 H GLN 25 H GLN 25 12.890 -5.743 2.737
187 HA GLN 25 HA GLN 25 15.273 -6.711 4.168
188 1HB GLN 25 1HB GLN 25 14.228 -7.319 1.406
189 2HB GLN 25 2HB GLN 25 15.849 -7.756 1.928
190 1HG GLN 25 1HG GLN 25 15.104 -9.569 2.953
191 2HG GLN 25 2HG GLN 25 13.909 -8.637 3.854
192 1HE2 GLN 25 2HE2 GLN 25 12.127 -9.838 3.681
193 2HE2 GLN 25 1HE2 GLN 25 11.401 -10.334 2.194
194 H LEU 26 H LEU 26 14.148 -4.562 1.604
195 HA LEU 26 HA LEU 26 16.594 -3.712 0.598
196 1HB LEU 26 1HB LEU 26 13.932 -2.351 0.861
197 2HB LEU 26 2HB LEU 26 15.306 -1.518 0.164
198 HG LEU 26 HG LEU 26 14.041 -4.049 -0.885
199 1HD1 LEU 26 1HD1 LEU 26 13.059 -1.584 -1.170
200 2HD1 LEU 26 2HD1 LEU 26 14.236 -1.569 -2.483
201 3HD1 LEU 26 3HD1 LEU 26 12.974 -2.801 -2.444
202 1HD2 LEU 26 1HD2 LEU 26 16.471 -2.512 -1.765
203 2HD2 LEU 26 2HD2 LEU 26 16.355 -4.219 -1.338
204 3HD2 LEU 26 3HD2 LEU 26 15.606 -3.629 -2.821
205 H GLU 27 H GLU 27 14.630 -1.952 3.010
206 HA GLU 27 HA GLU 27 16.995 -0.467 3.829
207 1HB GLU 27 1HB GLU 27 15.388 0.791 5.264
208 2HB GLU 27 2HB GLU 27 14.995 0.833 3.552
209 1HG GLU 27 1HG GLU 27 13.172 -0.586 3.806
210 2HG GLU 27 2HG GLU 27 13.736 -1.181 5.367
211 H HIS 28 H HIS 28 17.675 -2.838 4.517
212 HA HIS 28 HA HIS 28 16.663 -3.721 7.049
213 1HB HIS 28 1HB HIS 28 17.822 -5.106 5.169
214 2HB HIS 28 2HB HIS 28 19.316 -4.572 5.932
215 HD1 HIS 28 HD1 HIS 28 17.728 -7.531 5.855
216 HD2 HIS 28 HD2 HIS 28 18.498 -4.983 9.044
217 HE1 HIS 28 HE1 HIS 28 17.652 -8.961 7.940
218 H GLU 29 H GLU 29 19.568 -2.018 5.951
219 HA GLU 29 HA GLU 29 20.493 -1.698 8.691
220 1HB GLU 29 1HB GLU 29 21.676 -1.515 6.029
221 2HB GLU 29 2HB GLU 29 22.164 -0.190 7.076
222 1HG GLU 29 1HG GLU 29 22.367 -3.089 7.846
223 2HG GLU 29 2HG GLU 29 23.676 -2.171 7.102
224 H GLY 30 H GLY 30 19.129 0.216 6.074
225 1HA GLY 30 1HA GLY 30 19.417 2.701 7.532
226 2HA GLY 30 2HA GLY 30 18.635 2.488 5.973
227 1HN NH2 31 1HN NH2 31 18.120 1.321 9.292
228 2HN NH2 31 2HN NH2 31 16.434 1.695 9.343
229 1H ACE 0 1H ACE 0 -18.584 -0.923 -1.275
230 2H ACE 0 2H ACE 0 -20.049 -0.500 -0.391
231 3H ACE 0 3H ACE 0 -18.868 -1.588 0.330
232 H GLU 1 H GLU 1 -18.607 1.613 -1.296
233 HA GLU 1 HA GLU 1 -16.503 2.686 -0.023
234 1HB GLU 1 1HB GLU 1 -18.216 4.809 0.205
235 2HB GLU 1 2HB GLU 1 -17.236 4.447 -1.229
236 1HG GLU 1 1HG GLU 1 -19.051 3.429 -2.331
237 2HG GLU 1 2HG GLU 1 -19.993 3.316 -0.847
238 H VAL 2 H VAL 2 -19.746 2.829 1.072
239 HA VAL 2 HA VAL 2 -19.733 4.150 3.242
240 HB VAL 2 HB VAL 2 -21.675 2.977 3.135
241 1HG1 VAL 2 1HG1 VAL 2 -19.854 0.796 2.213
242 2HG1 VAL 2 2HG1 VAL 2 -21.516 0.411 2.658
243 3HG1 VAL 2 3HG1 VAL 2 -21.194 1.567 1.365
244 1HG2 VAL 2 1HG2 VAL 2 -20.818 2.610 5.451
245 2HG2 VAL 2 2HG2 VAL 2 -21.925 1.354 4.898
246 3HG2 VAL 2 3HG2 VAL 2 -20.188 1.051 4.922
247 H GLN 3 H GLN 3 -18.398 4.493 4.789
248 HA GLN 3 HA GLN 3 -16.025 3.664 5.447
249 1HB GLN 3 1HB GLN 3 -16.358 4.250 7.788
250 2HB GLN 3 2HB GLN 3 -17.208 5.376 6.739
251 1HG GLN 3 1HG GLN 3 -18.892 3.157 7.513
252 2HG GLN 3 2HG GLN 3 -18.248 4.014 8.912
253 1HE2 GLN 3 2HE2 GLN 3 -18.175 6.564 8.191
254 2HE2 GLN 3 1HE2 GLN 3 -19.747 7.154 7.783
255 H ALA 4 H ALA 4 -17.604 1.437 4.668
256 HA ALA 4 HA ALA 4 -17.417 -0.547 6.786
257 1HB ALA 4 1HB ALA 4 -18.384 -0.614 3.923
258 2HB ALA 4 2HB ALA 4 -18.349 -2.032 4.969
259 3HB ALA 4 3HB ALA 4 -19.379 -0.660 5.378
260 H LEU 5 H LEU 5 -16.209 0.293 3.668
261 HA LEU 5 HA LEU 5 -13.870 -1.479 3.962
262 1HB LEU 5 1HB LEU 5 -15.640 -0.769 1.683
263 2HB LEU 5 2HB LEU 5 -13.941 -0.961 1.341
264 HG LEU 5 HG LEU 5 -15.324 -3.151 2.821
265 1HD1 LEU 5 1HD1 LEU 5 -16.813 -2.431 0.905
266 2HD1 LEU 5 2HD1 LEU 5 -15.501 -2.907 -0.173
267 3HD1 LEU 5 3HD1 LEU 5 -16.264 -4.106 0.871
268 1HD2 LEU 5 1HD2 LEU 5 -12.817 -2.929 2.061
269 2HD2 LEU 5 2HD2 LEU 5 -13.660 -4.475 1.958
270 3HD2 LEU 5 3HD2 LEU 5 -13.465 -3.479 0.515
271 H LYS 6 H LYS 6 -15.228 1.567 2.970
272 HA LYS 6 HA LYS 6 -13.038 2.904 1.960
273 1HB LYS 6 1HB LYS 6 -15.411 3.531 1.921
274 2HB LYS 6 2HB LYS 6 -15.324 3.917 3.617
275 1HG LYS 6 1HG LYS 6 -14.491 5.953 3.187
276 2HG LYS 6 2HG LYS 6 -13.366 5.327 1.974
277 1HD LYS 6 1HD LYS 6 -14.912 6.746 0.829
278 2HD LYS 6 2HD LYS 6 -15.325 5.073 0.420
279 1HE LYS 6 1HE LYS 6 -17.255 6.636 0.990
280 2HE LYS 6 2HE LYS 6 -17.225 5.081 1.827
281 1HZ LYS 6 1HZ LYS 6 -16.124 7.583 2.991
282 2HZ LYS 6 2HZ LYS 6 -17.710 7.058 3.252
283 3HZ LYS 6 3HZ LYS 6 -16.410 6.114 3.781
284 H LYS 7 H LYS 7 -13.796 2.024 5.246
285 HA LYS 7 HA LYS 7 -11.901 3.926 6.342
286 1HB LYS 7 1HB LYS 7 -12.701 3.398 8.425
287 2HB LYS 7 2HB LYS 7 -14.107 3.044 7.435
288 1HG LYS 7 1HG LYS 7 -12.123 0.939 8.248
289 2HG LYS 7 2HG LYS 7 -13.534 1.364 9.217
290 1HD LYS 7 1HD LYS 7 -14.600 1.028 6.704
291 2HD LYS 7 2HD LYS 7 -13.348 -0.219 6.774
292 1HE LYS 7 1HE LYS 7 -14.923 -0.014 9.217
293 2HE LYS 7 2HE LYS 7 -15.883 -0.423 7.799
294 1HZ LYS 7 1HZ LYS 7 -13.379 -1.874 8.234
295 2HZ LYS 7 2HZ LYS 7 -14.702 -2.265 9.213
296 3HZ LYS 7 3HZ LYS 7 -14.823 -2.405 7.532
297 H ARG 8 H ARG 8 -11.883 0.712 5.150
298 HA ARG 8 HA ARG 8 -9.476 -0.016 6.596
299 1HB ARG 8 1HB ARG 8 -9.770 -2.195 5.770
300 2HB ARG 8 2HB ARG 8 -11.387 -1.617 6.124
301 1HG ARG 8 1HG ARG 8 -12.040 -1.986 4.035
302 2HG ARG 8 2HG ARG 8 -10.708 -1.029 3.394
303 1HD ARG 8 1HD ARG 8 -9.850 -2.915 2.590
304 2HD ARG 8 2HD ARG 8 -9.522 -3.396 4.253
305 HE ARG 8 HE ARG 8 -11.561 -4.432 2.516
306 1HH1 ARG 8 1HH1 ARG 8 -10.610 -3.964 5.842
307 2HH1 ARG 8 2HH1 ARG 8 -11.585 -5.266 6.434
308 1HH2 ARG 8 1HH2 ARG 8 -12.842 -6.146 3.294
309 2HH2 ARG 8 2HH2 ARG 8 -12.851 -6.506 4.988
310 H VAL 9 H VAL 9 -10.415 0.997 3.364
311 HA VAL 9 HA VAL 9 -8.095 0.252 1.985
312 HB VAL 9 HB VAL 9 -9.959 2.577 1.487
313 1HG1 VAL 9 1HG1 VAL 9 -7.800 1.457 -0.302
314 2HG1 VAL 9 2HG1 VAL 9 -9.003 2.656 -0.778
315 3HG1 VAL 9 3HG1 VAL 9 -7.806 3.050 0.456
316 1HG2 VAL 9 1HG2 VAL 9 -9.909 -0.282 0.719
317 2HG2 VAL 9 2HG2 VAL 9 -11.277 0.784 1.036
318 3HG2 VAL 9 3HG2 VAL 9 -10.432 0.871 -0.509
319 H GLN 10 H GLN 10 -8.782 3.044 4.002
320 HA GLN 10 HA GLN 10 -6.551 4.603 3.298
321 1HB GLN 10 1HB GLN 10 -7.791 4.550 6.043
322 2HB GLN 10 2HB GLN 10 -7.010 5.899 5.230
323 1HG GLN 10 1HG GLN 10 -8.904 5.712 3.517
324 2HG GLN 10 2HG GLN 10 -9.712 4.715 4.726
325 1HE2 GLN 10 2HE2 GLN 10 -10.526 7.277 3.671
326 2HE2 GLN 10 1HE2 GLN 10 -10.621 8.359 5.015
327 H ALA 11 H ALA 11 -6.730 1.664 5.009
328 HA ALA 11 HA ALA 11 -4.296 2.123 6.524
329 1HB ALA 11 1HB ALA 11 -6.474 0.669 7.103
330 2HB ALA 11 2HB ALA 11 -5.451 -0.588 6.407
331 3HB ALA 11 3HB ALA 11 -4.881 0.349 7.788
332 H LEU 12 H LEU 12 -5.091 1.029 3.403
333 HA LEU 12 HA LEU 12 -2.715 -0.669 3.230
334 1HB LEU 12 1HB LEU 12 -4.409 -0.164 0.843
335 2HB LEU 12 2HB LEU 12 -3.581 -1.622 1.336
336 HG LEU 12 HG LEU 12 -5.947 -0.687 2.911
337 1HD1 LEU 12 1HD1 LEU 12 -5.992 -2.082 0.251
338 2HD1 LEU 12 2HD1 LEU 12 -7.324 -2.163 1.404
339 3HD1 LEU 12 3HD1 LEU 12 -6.838 -0.610 0.726
340 1HD2 LEU 12 1HD2 LEU 12 -4.397 -3.182 2.511
341 2HD2 LEU 12 2HD2 LEU 12 -5.106 -2.510 3.979
342 3HD2 LEU 12 3HD2 LEU 12 -6.129 -3.337 2.805
343 H LYS 13 H LYS 13 -4.140 2.121 1.541
344 HA LYS 13 HA LYS 13 -1.746 2.609 0.046
345 1HB LYS 13 1HB LYS 13 -2.962 4.741 -0.609
346 2HB LYS 13 2HB LYS 13 -3.734 3.226 -1.051
347 1HG LYS 13 1HG LYS 13 -5.382 4.774 -0.244
348 2HG LYS 13 2HG LYS 13 -5.219 3.447 0.905
349 1HD LYS 13 1HD LYS 13 -4.345 4.778 2.520
350 2HD LYS 13 2HD LYS 13 -3.503 5.807 1.362
351 1HE LYS 13 1HE LYS 13 -6.366 6.049 1.083
352 2HE LYS 13 2HE LYS 13 -5.859 6.391 2.737
353 1HZ LYS 13 1HZ LYS 13 -4.043 7.775 1.401
354 2HZ LYS 13 2HZ LYS 13 -5.312 7.860 0.285
355 3HZ LYS 13 3HZ LYS 13 -5.533 8.429 1.862
356 H ALA 14 H ALA 14 -2.855 3.525 3.158
357 HA ALA 14 HA ALA 14 -1.639 6.016 3.482
358 1HB ALA 14 1HB ALA 14 -2.469 3.842 5.333
359 2HB ALA 14 2HB ALA 14 -1.442 5.132 5.959
360 3HB ALA 14 3HB ALA 14 -3.007 5.519 5.244
361 H ARG 15 H ARG 15 -0.346 2.833 4.452
362 HA ARG 15 HA ARG 15 2.292 3.958 4.815
363 1HB ARG 15 1HB ARG 15 1.094 2.009 6.131
364 2HB ARG 15 2HB ARG 15 1.771 1.016 4.848
365 1HG ARG 15 1HG ARG 15 3.394 0.897 6.478
366 2HG ARG 15 2HG ARG 15 3.998 2.193 5.444
367 1HD ARG 15 1HD ARG 15 3.853 3.693 7.088
368 2HD ARG 15 2HD ARG 15 2.215 3.189 7.502
369 HE ARG 15 HE ARG 15 3.088 2.020 9.248
370 1HH1 ARG 15 1HH1 ARG 15 5.620 2.505 6.896
371 2HH1 ARG 15 2HH1 ARG 15 6.849 1.796 7.888
372 1HH2 ARG 15 1HH2 ARG 15 4.704 1.087 10.554
373 2HH2 ARG 15 2HH2 ARG 15 6.329 0.990 9.964
374 H ASN 16 H ASN 16 0.609 1.952 2.478
375 HA ASN 16 HA ASN 16 2.791 0.993 1.030
376 1HB ASN 16 1HB ASN 16 0.498 0.178 0.711
377 2HB ASN 16 2HB ASN 16 0.039 1.726 0.008
378 1HD2 ASN 16 2HD2 ASN 16 -0.349 1.327 -2.055
379 2HD2 ASN 16 1HD2 ASN 16 0.716 0.507 -3.141
380 H TYR 17 H TYR 17 0.982 4.025 0.683
381 HA TYR 17 HA TYR 17 2.201 4.951 -1.646
382 1HB TYR 17 1HB TYR 17 0.222 6.017 -0.706
383 2HB TYR 17 2HB TYR 17 1.142 6.537 0.702
384 HD1 TYR 17 HD1 TYR 17 1.015 6.898 -3.006
385 HD2 TYR 17 HD2 TYR 17 2.170 8.629 0.706
386 HE1 TYR 17 HE1 TYR 17 1.598 8.985 -4.167
387 HE2 TYR 17 HE2 TYR 17 2.755 10.721 -0.446
388 HH TYR 17 HH TYR 17 1.891 11.327 -3.710
389 H ALA 18 H ALA 18 3.323 4.989 1.670
390 HA ALA 18 HA ALA 18 5.457 6.834 1.236
391 1HB ALA 18 1HB ALA 18 4.562 5.083 3.444
392 2HB ALA 18 2HB ALA 18 6.267 5.533 3.433
393 3HB ALA 18 3HB ALA 18 5.025 6.784 3.459
394 H LEU 19 H LEU 19 5.399 3.282 1.640
395 HA LEU 19 HA LEU 19 8.130 2.889 1.156
396 1HB LEU 19 1HB LEU 19 6.230 0.816 0.199
397 2HB LEU 19 2HB LEU 19 7.706 0.639 1.121
398 HG LEU 19 HG LEU 19 4.995 1.442 2.160
399 1HD1 LEU 19 1HD1 LEU 19 6.775 -0.947 2.474
400 2HD1 LEU 19 2HD1 LEU 19 5.536 -0.557 3.667
401 3HD1 LEU 19 3HD1 LEU 19 5.079 -0.881 1.994
402 1HD2 LEU 19 1HD2 LEU 19 7.706 1.643 3.419
403 2HD2 LEU 19 2HD2 LEU 19 6.395 2.823 3.404
404 3HD2 LEU 19 3HD2 LEU 19 6.265 1.373 4.401
405 H LYS 20 H LYS 20 5.379 2.560 -1.084
406 HA LYS 20 HA LYS 20 6.605 1.916 -3.416
407 1HB LYS 20 1HB LYS 20 4.115 2.784 -2.738
408 2HB LYS 20 2HB LYS 20 4.685 4.130 -3.714
409 1HG LYS 20 1HG LYS 20 4.876 2.830 -5.625
410 2HG LYS 20 2HG LYS 20 4.929 1.321 -4.711
411 1HD LYS 20 1HD LYS 20 2.669 1.200 -4.520
412 2HD LYS 20 2HD LYS 20 2.476 2.952 -4.433
413 1HE LYS 20 1HE LYS 20 3.406 2.553 -6.993
414 2HE LYS 20 2HE LYS 20 2.353 1.163 -6.732
415 1HZ LYS 20 1HZ LYS 20 1.374 3.821 -5.976
416 2HZ LYS 20 2HZ LYS 20 1.410 3.417 -7.618
417 3HZ LYS 20 3HZ LYS 20 0.515 2.476 -6.534
418 H GLN 21 H GLN 21 6.820 4.966 -1.750
419 HA GLN 21 HA GLN 21 8.046 6.315 -3.995
420 1HB GLN 21 1HB GLN 21 6.566 7.580 -2.554
421 2HB GLN 21 2HB GLN 21 7.552 7.194 -1.151
422 1HG GLN 21 1HG GLN 21 9.415 8.456 -2.136
423 2HG GLN 21 2HG GLN 21 8.386 8.875 -3.505
424 1HE2 GLN 21 2HE2 GLN 21 7.807 10.915 -3.358
425 2HE2 GLN 21 1HE2 GLN 21 7.290 11.729 -1.925
426 H LYS 22 H LYS 22 9.054 4.991 -0.870
427 HA LYS 22 HA LYS 22 11.798 5.833 -1.321
428 1HB LYS 22 1HB LYS 22 12.229 4.917 0.913
429 2HB LYS 22 2HB LYS 22 10.887 6.052 0.918
430 1HG LYS 22 1HG LYS 22 9.518 4.528 1.756
431 2HG LYS 22 2HG LYS 22 9.925 3.383 0.477
432 1HD LYS 22 1HD LYS 22 10.443 2.439 2.656
433 2HD LYS 22 2HD LYS 22 11.925 2.709 1.737
434 1HE LYS 22 1HE LYS 22 12.556 3.582 3.750
435 2HE LYS 22 2HE LYS 22 11.874 5.024 2.999
436 1HZ LYS 22 1HZ LYS 22 10.308 3.224 4.759
437 2HZ LYS 22 2HZ LYS 22 11.143 4.579 5.333
438 3HZ LYS 22 3HZ LYS 22 9.884 4.771 4.222
439 H VAL 23 H VAL 23 9.902 2.997 -1.814
440 HA VAL 23 HA VAL 23 11.537 0.877 -1.453
441 HB VAL 23 HB VAL 23 9.848 1.361 -3.911
442 1HG1 VAL 23 1HG1 VAL 23 10.992 -1.212 -2.821
443 2HG1 VAL 23 2HG1 VAL 23 9.841 -1.086 -4.152
444 3HG1 VAL 23 3HG1 VAL 23 11.462 -0.413 -4.322
445 1HG2 VAL 23 1HG2 VAL 23 9.207 0.796 -1.161
446 2HG2 VAL 23 2HG2 VAL 23 8.132 1.145 -2.513
447 3HG2 VAL 23 3HG2 VAL 23 8.653 -0.511 -2.207
448 H GLN 24 H GLN 24 11.490 2.660 -4.554
449 HA GLN 24 HA GLN 24 13.781 1.436 -5.606
450 1HB GLN 24 1HB GLN 24 13.821 3.323 -7.204
451 2HB GLN 24 2HB GLN 24 12.221 2.613 -7.034
452 1HG GLN 24 1HG GLN 24 11.370 4.579 -6.501
453 2HG GLN 24 2HG GLN 24 12.488 4.728 -5.146
454 1HE2 GLN 24 2HE2 GLN 24 14.758 5.377 -5.831
455 2HE2 GLN 24 1HE2 GLN 24 14.870 6.646 -6.997
456 H ALA 25 H ALA 25 13.395 4.142 -3.441
457 HA ALA 25 HA ALA 25 15.992 5.238 -3.739
458 1HB ALA 25 1HB ALA 25 13.734 5.569 -1.870
459 2HB ALA 25 2HB ALA 25 15.327 6.002 -1.249
460 3HB ALA 25 3HB ALA 25 14.707 6.780 -2.705
461 H LEU 26 H LEU 26 14.673 2.654 -1.779
462 HA LEU 26 HA LEU 26 16.925 2.414 -0.042
463 1HB LEU 26 1HB LEU 26 14.806 0.372 -0.714
464 2HB LEU 26 2HB LEU 26 15.915 0.295 0.641
465 HG LEU 26 HG LEU 26 13.716 2.322 0.243
466 1HD1 LEU 26 1HD1 LEU 26 14.001 -0.171 1.827
467 2HD1 LEU 26 2HD1 LEU 26 13.125 1.178 2.550
468 3HD1 LEU 26 3HD1 LEU 26 12.588 0.501 1.013
469 1HD2 LEU 26 1HD2 LEU 26 16.013 2.196 2.125
470 2HD2 LEU 26 2HD2 LEU 26 15.227 3.593 1.390
471 3HD2 LEU 26 3HD2 LEU 26 14.458 2.758 2.740
472 H ARG 27 H ARG 27 15.768 0.401 -2.751
473 HA ARG 27 HA ARG 27 18.025 -1.276 -2.833
474 1HB ARG 27 1HB ARG 27 17.223 -1.863 -5.121
475 2HB ARG 27 2HB ARG 27 15.981 -1.975 -3.882
476 1HG ARG 27 1HG ARG 27 15.596 0.557 -4.723
477 2HG ARG 27 2HG ARG 27 16.182 -0.191 -6.209
478 1HD ARG 27 1HD ARG 27 14.390 -2.042 -5.242
479 2HD ARG 27 2HD ARG 27 13.632 -0.504 -4.830
480 HE ARG 27 HE ARG 27 14.341 -0.156 -7.410
481 1HH1 ARG 27 1HH1 ARG 27 12.571 -2.668 -5.757
482 2HH1 ARG 27 2HH1 ARG 27 11.597 -3.061 -7.134
483 1HH2 ARG 27 1HH2 ARG 27 13.065 -0.672 -9.223
484 2HH2 ARG 27 2HH2 ARG 27 11.877 -1.927 -9.103
485 H HIS 28 H HIS 28 17.229 1.683 -4.614
486 HA HIS 28 HA HIS 28 19.537 1.657 -6.259
487 1HB HIS 28 1HB HIS 28 17.372 2.980 -6.602
488 2HB HIS 28 2HB HIS 28 18.027 4.136 -5.447
489 HD1 HIS 28 HD1 HIS 28 17.675 5.549 -7.897
490 HD2 HIS 28 HD2 HIS 28 20.944 3.025 -7.443
491 HE1 HIS 28 HE1 HIS 28 19.376 6.274 -9.621
492 H LYS 29 H LYS 29 18.770 3.924 -3.610
493 HA LYS 29 HA LYS 29 21.595 4.484 -3.264
494 1HB LYS 29 1HB LYS 29 19.287 5.980 -2.943
495 2HB LYS 29 2HB LYS 29 19.789 5.655 -1.289
496 1HG LYS 29 1HG LYS 29 22.129 6.425 -2.161
497 2HG LYS 29 2HG LYS 29 21.173 7.207 -3.422
498 1HD LYS 29 1HD LYS 29 19.907 8.423 -1.756
499 2HD LYS 29 2HD LYS 29 20.747 7.574 -0.457
500 1HE LYS 29 1HE LYS 29 21.578 9.897 -0.936
501 2HE LYS 29 2HE LYS 29 22.806 8.633 -0.982
502 1HZ LYS 29 1HZ LYS 29 21.495 9.255 -3.504
503 2HZ LYS 29 2HZ LYS 29 22.525 10.446 -2.888
504 3HZ LYS 29 3HZ LYS 29 23.117 8.889 -3.187
505 H GLY 30 H GLY 30 22.872 3.733 -1.676
506 1HA GLY 30 1HA GLY 30 21.847 2.744 0.810
507 2HA GLY 30 2HA GLY 30 22.345 1.443 -0.261
508 1HN NH2 31 1HN NH2 31 24.583 1.607 -1.121
509 2HN NH2 31 2HN NH2 31 25.809 2.211 -0.064
Start of MODEL 2
1 1H ACE 0 1H ACE 0 -20.005 6.806 -4.332
2 2H ACE 0 2H ACE 0 -18.779 6.812 -5.600
3 3H ACE 0 3H ACE 0 -18.411 6.118 -4.020
4 H GLU 1 H GLU 1 -17.957 4.588 -6.224
5 HA GLU 1 HA GLU 1 -20.253 2.858 -6.652
6 1HB GLU 1 1HB GLU 1 -17.808 3.465 -8.072
7 2HB GLU 1 2HB GLU 1 -18.009 1.728 -7.897
8 1HG GLU 1 1HG GLU 1 -20.517 2.665 -8.655
9 2HG GLU 1 2HG GLU 1 -19.370 3.573 -9.639
10 H VAL 2 H VAL 2 -20.510 0.866 -5.815
11 HA VAL 2 HA VAL 2 -19.260 0.108 -3.457
12 HB VAL 2 HB VAL 2 -20.544 -1.797 -5.417
13 1HG1 VAL 2 1HG1 VAL 2 -19.675 -1.967 -2.600
14 2HG1 VAL 2 2HG1 VAL 2 -21.239 -2.686 -2.982
15 3HG1 VAL 2 3HG1 VAL 2 -19.790 -3.223 -3.833
16 1HG2 VAL 2 1HG2 VAL 2 -21.731 0.173 -3.503
17 2HG2 VAL 2 2HG2 VAL 2 -22.188 -0.181 -5.169
18 3HG2 VAL 2 3HG2 VAL 2 -22.581 -1.324 -3.886
19 H ALA 3 H ALA 3 -18.885 -1.602 -6.572
20 HA ALA 3 HA ALA 3 -16.653 -3.103 -5.799
21 1HB ALA 3 1HB ALA 3 -18.255 -3.108 -7.966
22 2HB ALA 3 2HB ALA 3 -16.813 -2.358 -8.648
23 3HB ALA 3 3HB ALA 3 -16.707 -3.949 -7.891
24 H GLN 4 H GLN 4 -16.943 0.137 -7.063
25 HA GLN 4 HA GLN 4 -14.299 0.590 -7.857
26 1HB GLN 4 1HB GLN 4 -16.114 2.127 -8.400
27 2HB GLN 4 2HB GLN 4 -16.321 2.517 -6.699
28 1HG GLN 4 1HG GLN 4 -15.078 4.298 -7.292
29 2HG GLN 4 2HG GLN 4 -13.760 3.180 -6.947
30 1HE2 GLN 4 2HE2 GLN 4 -15.389 5.015 -9.334
31 2HE2 GLN 4 1HE2 GLN 4 -14.369 4.609 -10.667
32 H LEU 5 H LEU 5 -15.770 0.461 -4.710
33 HA LEU 5 HA LEU 5 -13.396 1.565 -3.419
34 1HB LEU 5 1HB LEU 5 -15.949 0.556 -2.167
35 2HB LEU 5 2HB LEU 5 -14.687 1.477 -1.370
36 HG LEU 5 HG LEU 5 -16.039 2.693 -3.731
37 1HD1 LEU 5 1HD1 LEU 5 -17.321 2.079 -1.130
38 2HD1 LEU 5 2HD1 LEU 5 -17.602 3.674 -1.827
39 3HD1 LEU 5 3HD1 LEU 5 -18.029 2.226 -2.738
40 1HD2 LEU 5 1HD2 LEU 5 -14.483 3.541 -1.374
41 2HD2 LEU 5 2HD2 LEU 5 -14.510 4.191 -3.013
42 3HD2 LEU 5 3HD2 LEU 5 -15.789 4.616 -1.874
43 H GLU 6 H GLU 6 -15.065 -1.464 -3.909
44 HA GLU 6 HA GLU 6 -13.682 -2.974 -1.951
45 1HB GLU 6 1HB GLU 6 -15.100 -3.805 -4.486
46 2HB GLU 6 2HB GLU 6 -14.459 -4.942 -3.309
47 1HG GLU 6 1HG GLU 6 -15.950 -3.405 -1.692
48 2HG GLU 6 2HG GLU 6 -16.857 -3.236 -3.194
49 H LYS 7 H LYS 7 -13.122 -2.407 -5.400
50 HA LYS 7 HA LYS 7 -10.876 -4.139 -5.587
51 1HB LYS 7 1HB LYS 7 -11.499 -1.794 -7.381
52 2HB LYS 7 2HB LYS 7 -10.548 -3.219 -7.777
53 1HG LYS 7 1HG LYS 7 -13.377 -3.603 -6.956
54 2HG LYS 7 2HG LYS 7 -13.046 -2.958 -8.564
55 1HD LYS 7 1HD LYS 7 -11.932 -5.525 -7.434
56 2HD LYS 7 2HD LYS 7 -13.263 -5.402 -8.587
57 1HE LYS 7 1HE LYS 7 -11.792 -5.413 -10.251
58 2HE LYS 7 2HE LYS 7 -11.114 -3.905 -9.642
59 1HZ LYS 7 1HZ LYS 7 -10.296 -6.493 -8.487
60 2HZ LYS 7 2HZ LYS 7 -9.579 -5.922 -9.909
61 3HZ LYS 7 3HZ LYS 7 -9.467 -5.017 -8.485
62 H GLU 8 H GLU 8 -11.300 -0.822 -4.629
63 HA GLU 8 HA GLU 8 -8.695 0.119 -4.995
64 1HB GLU 8 1HB GLU 8 -10.802 1.410 -4.327
65 2HB GLU 8 2HB GLU 8 -10.426 0.932 -2.677
66 1HG GLU 8 1HG GLU 8 -8.324 2.084 -2.767
67 2HG GLU 8 2HG GLU 8 -8.544 2.436 -4.480
68 H VAL 9 H VAL 9 -10.023 -2.045 -2.641
69 HA VAL 9 HA VAL 9 -7.884 -1.769 -0.743
70 HB VAL 9 HB VAL 9 -10.037 -3.871 -1.035
71 1HG1 VAL 9 1HG1 VAL 9 -8.013 -3.522 1.177
72 2HG1 VAL 9 2HG1 VAL 9 -9.391 -4.621 1.217
73 3HG1 VAL 9 3HG1 VAL 9 -8.101 -4.869 0.042
74 1HG2 VAL 9 1HG2 VAL 9 -9.695 -1.572 0.888
75 2HG2 VAL 9 2HG2 VAL 9 -10.880 -1.685 -0.414
76 3HG2 VAL 9 3HG2 VAL 9 -10.976 -2.782 0.965
77 H ALA 10 H ALA 10 -8.887 -4.486 -2.841
78 HA ALA 10 HA ALA 10 -6.685 -6.106 -2.522
79 1HB ALA 10 1HB ALA 10 -8.704 -5.742 -4.648
80 2HB ALA 10 2HB ALA 10 -7.238 -6.613 -5.097
81 3HB ALA 10 3HB ALA 10 -8.235 -7.193 -3.763
82 H GLN 11 H GLN 11 -6.969 -3.152 -4.322
83 HA GLN 11 HA GLN 11 -4.687 -3.435 -5.968
84 1HB GLN 11 1HB GLN 11 -6.432 -1.784 -6.427
85 2HB GLN 11 2HB GLN 11 -6.055 -0.945 -4.935
86 1HG GLN 11 1HG GLN 11 -3.702 -0.675 -5.916
87 2HG GLN 11 2HG GLN 11 -4.459 -1.103 -7.446
88 1HE2 GLN 11 2HE2 GLN 11 -6.623 0.155 -7.758
89 2HE2 GLN 11 1HE2 GLN 11 -6.504 1.860 -7.504
90 H LEU 12 H LEU 12 -5.189 -2.114 -2.730
91 HA LEU 12 HA LEU 12 -2.356 -1.458 -2.500
92 1HB LEU 12 1HB LEU 12 -4.458 -1.138 -0.370
93 2HB LEU 12 2HB LEU 12 -2.905 -0.332 -0.482
94 HG LEU 12 HG LEU 12 -5.079 0.105 -2.517
95 1HD1 LEU 12 1HD1 LEU 12 -4.613 1.485 0.110
96 2HD1 LEU 12 2HD1 LEU 12 -5.462 2.255 -1.229
97 3HD1 LEU 12 3HD1 LEU 12 -6.105 0.780 -0.507
98 1HD2 LEU 12 1HD2 LEU 12 -2.768 0.721 -3.123
99 2HD2 LEU 12 2HD2 LEU 12 -3.838 2.119 -3.013
100 3HD2 LEU 12 3HD2 LEU 12 -2.701 1.775 -1.710
101 H GLU 13 H GLU 13 -4.756 -3.619 -1.054
102 HA GLU 13 HA GLU 13 -3.254 -4.735 0.977
103 1HB GLU 13 1HB GLU 13 -5.567 -5.585 -0.643
104 2HB GLU 13 2HB GLU 13 -4.672 -6.893 0.118
105 1HG GLU 13 1HG GLU 13 -4.952 -5.814 2.294
106 2HG GLU 13 2HG GLU 13 -5.862 -4.513 1.526
107 H ALA 14 H ALA 14 -2.926 -5.156 -2.445
108 HA ALA 14 HA ALA 14 -1.270 -7.528 -2.184
109 1HB ALA 14 1HB ALA 14 -2.807 -7.340 -4.076
110 2HB ALA 14 2HB ALA 14 -1.958 -5.896 -4.627
111 3HB ALA 14 3HB ALA 14 -1.133 -7.456 -4.618
112 H GLU 15 H GLU 15 -0.909 -4.085 -2.817
113 HA GLU 15 HA GLU 15 1.943 -4.345 -3.294
114 1HB GLU 15 1HB GLU 15 0.651 -2.710 -4.587
115 2HB GLU 15 2HB GLU 15 0.190 -1.890 -3.102
116 1HG GLU 15 1HG GLU 15 1.921 -0.607 -4.006
117 2HG GLU 15 2HG GLU 15 2.663 -1.527 -2.698
118 H ASN 16 H ASN 16 -0.122 -2.627 -0.947
119 HA ASN 16 HA ASN 16 1.817 -1.672 0.752
120 1HB ASN 16 1HB ASN 16 -0.573 -1.129 0.945
121 2HB ASN 16 2HB ASN 16 -0.901 -2.758 1.525
122 1HD2 ASN 16 2HD2 ASN 16 -1.773 -1.870 3.423
123 2HD2 ASN 16 1HD2 ASN 16 -0.757 -1.261 4.679
124 H TYR 17 H TYR 17 0.696 -4.946 0.387
125 HA TYR 17 HA TYR 17 2.012 -5.829 2.825
126 1HB TYR 17 1HB TYR 17 -0.112 -6.867 2.265
127 2HB TYR 17 2HB TYR 17 0.505 -7.355 0.691
128 HD1 TYR 17 HD1 TYR 17 0.892 -7.900 4.338
129 HD2 TYR 17 HD2 TYR 17 1.683 -9.382 0.429
130 HE1 TYR 17 HE1 TYR 17 1.651 -10.030 5.305
131 HE2 TYR 17 HE2 TYR 17 2.442 -11.517 1.385
132 HH TYR 17 HH TYR 17 3.279 -12.415 3.452
133 H GLN 18 H GLN 18 2.311 -6.355 -0.678
134 HA GLN 18 HA GLN 18 4.532 -8.048 -0.606
135 1HB GLN 18 1HB GLN 18 3.040 -7.516 -2.590
136 2HB GLN 18 2HB GLN 18 3.973 -6.039 -2.786
137 1HG GLN 18 1HG GLN 18 5.901 -7.188 -3.383
138 2HG GLN 18 2HG GLN 18 5.325 -8.706 -2.695
139 1HE2 GLN 18 2HE2 GLN 18 6.365 -8.279 -5.327
140 2HE2 GLN 18 1HE2 GLN 18 5.111 -8.690 -6.443
141 H LEU 19 H LEU 19 4.294 -4.581 -0.312
142 HA LEU 19 HA LEU 19 7.083 -4.085 -0.755
143 1HB LEU 19 1HB LEU 19 4.881 -2.383 0.399
144 2HB LEU 19 2HB LEU 19 6.521 -1.812 0.156
145 HG LEU 19 HG LEU 19 4.594 -2.699 -1.992
146 1HD1 LEU 19 1HD1 LEU 19 5.528 -0.065 -0.964
147 2HD1 LEU 19 2HD1 LEU 19 5.169 -0.236 -2.682
148 3HD1 LEU 19 3HD1 LEU 19 3.920 -0.570 -1.482
149 1HD2 LEU 19 1HD2 LEU 19 7.517 -2.287 -1.993
150 2HD2 LEU 19 2HD2 LEU 19 6.509 -3.294 -3.033
151 3HD2 LEU 19 3HD2 LEU 19 6.623 -1.559 -3.328
152 H GLU 20 H GLU 20 4.984 -4.006 2.128
153 HA GLU 20 HA GLU 20 6.825 -3.400 4.061
154 1HB GLU 20 1HB GLU 20 4.232 -4.124 4.100
155 2HB GLU 20 2HB GLU 20 4.953 -5.586 4.755
156 1HG GLU 20 1HG GLU 20 6.215 -3.885 6.304
157 2HG GLU 20 2HG GLU 20 4.853 -2.844 5.896
158 H GLN 21 H GLN 21 6.496 -6.390 2.307
159 HA GLN 21 HA GLN 21 8.397 -7.743 4.063
160 1HB GLN 21 1HB GLN 21 6.198 -8.634 2.633
161 2HB GLN 21 2HB GLN 21 7.561 -9.207 1.683
162 1HG GLN 21 1HG GLN 21 7.216 -9.699 4.632
163 2HG GLN 21 2HG GLN 21 6.743 -10.830 3.364
164 1HE2 GLN 21 2HE2 GLN 21 9.362 -9.420 5.120
165 2HE2 GLN 21 1HE2 GLN 21 10.607 -10.452 4.510
166 H GLU 22 H GLU 22 8.196 -6.247 0.926
167 HA GLU 22 HA GLU 22 10.700 -7.361 0.002
168 1HB GLU 22 1HB GLU 22 8.709 -5.414 -1.112
169 2HB GLU 22 2HB GLU 22 10.307 -5.552 -1.835
170 1HG GLU 22 1HG GLU 22 8.705 -8.021 -1.393
171 2HG GLU 22 2HG GLU 22 8.291 -6.954 -2.734
172 H VAL 23 H VAL 23 9.558 -4.423 1.506
173 HA VAL 23 HA VAL 23 11.803 -2.794 1.009
174 HB VAL 23 HB VAL 23 9.962 -2.668 3.400
175 1HG1 VAL 23 1HG1 VAL 23 12.250 -1.219 2.854
176 2HG1 VAL 23 2HG1 VAL 23 10.946 -0.166 2.302
177 3HG1 VAL 23 3HG1 VAL 23 10.960 -0.756 3.964
178 1HG2 VAL 23 1HG2 VAL 23 9.196 -2.522 0.761
179 2HG2 VAL 23 2HG2 VAL 23 8.319 -1.838 2.131
180 3HG2 VAL 23 3HG2 VAL 23 9.428 -0.830 1.201
181 H ALA 24 H ALA 24 11.175 -5.300 3.343
182 HA ALA 24 HA ALA 24 13.252 -4.634 5.166
183 1HB ALA 24 1HB ALA 24 11.426 -6.918 4.744
184 2HB ALA 24 2HB ALA 24 12.922 -7.254 5.615
185 3HB ALA 24 3HB ALA 24 11.809 -6.025 6.215
186 H GLN 25 H GLN 25 13.165 -6.311 2.132
187 HA GLN 25 HA GLN 25 15.868 -7.363 2.540
188 1HB GLN 25 1HB GLN 25 13.640 -7.987 0.657
189 2HB GLN 25 2HB GLN 25 15.287 -8.304 0.132
190 1HG GLN 25 1HG GLN 25 15.010 -9.337 2.752
191 2HG GLN 25 2HG GLN 25 13.617 -9.868 1.811
192 1HE2 GLN 25 2HE2 GLN 25 14.402 -10.452 -0.567
193 2HE2 GLN 25 1HE2 GLN 25 15.700 -11.592 -0.601
194 H LEU 26 H LEU 26 14.096 -4.947 0.771
195 HA LEU 26 HA LEU 26 15.879 -4.400 -1.298
196 1HB LEU 26 1HB LEU 26 13.925 -2.695 0.213
197 2HB LEU 26 2HB LEU 26 14.926 -2.012 -1.055
198 HG LEU 26 HG LEU 26 13.120 -4.378 -1.517
199 1HD1 LEU 26 1HD1 LEU 26 12.152 -1.972 -0.780
200 2HD1 LEU 26 2HD1 LEU 26 12.306 -1.735 -2.521
201 3HD1 LEU 26 3HD1 LEU 26 11.332 -3.065 -1.895
202 1HD2 LEU 26 1HD2 LEU 26 15.135 -3.600 -3.038
203 2HD2 LEU 26 2HD2 LEU 26 13.613 -4.157 -3.733
204 3HD2 LEU 26 3HD2 LEU 26 13.943 -2.429 -3.603
205 H GLU 27 H GLU 27 15.612 -2.633 1.794
206 HA GLU 27 HA GLU 27 18.226 -1.459 1.388
207 1HB GLU 27 1HB GLU 27 17.738 -0.366 3.610
208 2HB GLU 27 2HB GLU 27 16.601 0.003 2.320
209 1HG GLU 27 1HG GLU 27 14.884 -0.985 3.370
210 2HG GLU 27 2HG GLU 27 15.881 -2.303 3.986
211 H HIS 28 H HIS 28 18.831 -3.974 1.419
212 HA HIS 28 HA HIS 28 19.335 -4.944 4.107
213 1HB HIS 28 1HB HIS 28 18.693 -6.359 2.019
214 2HB HIS 28 2HB HIS 28 20.400 -6.231 1.611
215 HD1 HIS 28 HD1 HIS 28 18.503 -8.755 2.772
216 HD2 HIS 28 HD2 HIS 28 21.697 -6.763 4.531
217 HE1 HIS 28 HE1 HIS 28 19.457 -10.333 4.503
218 H GLU 29 H GLU 29 21.174 -3.752 1.330
219 HA GLU 29 HA GLU 29 23.744 -4.185 2.380
220 1HB GLU 29 1HB GLU 29 24.434 -2.390 0.749
221 2HB GLU 29 2HB GLU 29 23.539 -3.733 0.052
222 1HG GLU 29 1HG GLU 29 21.809 -1.561 0.901
223 2HG GLU 29 2HG GLU 29 23.004 -1.058 -0.294
224 H GLY 30 H GLY 30 21.416 -1.618 2.859
225 1HA GLY 30 1HA GLY 30 21.377 -0.223 4.758
226 2HA GLY 30 2HA GLY 30 23.077 -0.579 5.027
227 1HN NH2 31 1HN NH2 31 21.821 0.392 1.925
228 2HN NH2 31 2HN NH2 31 22.561 1.954 1.889
229 1H ACE 0 1H ACE 0 -17.403 -5.035 4.193
230 2H ACE 0 2H ACE 0 -16.477 -5.627 2.814
231 3H ACE 0 3H ACE 0 -17.938 -6.473 3.323
232 H GLU 1 H GLU 1 -19.081 -3.657 3.848
233 HA GLU 1 HA GLU 1 -20.179 -3.337 1.179
234 1HB GLU 1 1HB GLU 1 -20.975 -1.769 3.621
235 2HB GLU 1 2HB GLU 1 -21.922 -2.077 2.173
236 1HG GLU 1 1HG GLU 1 -22.640 -4.072 2.905
237 2HG GLU 1 2HG GLU 1 -21.096 -4.477 3.651
238 H VAL 2 H VAL 2 -20.906 -0.673 1.202
239 HA VAL 2 HA VAL 2 -18.863 0.613 -0.041
240 HB VAL 2 HB VAL 2 -20.998 1.922 1.641
241 1HG1 VAL 2 1HG1 VAL 2 -19.140 3.448 1.113
242 2HG1 VAL 2 2HG1 VAL 2 -19.348 3.087 -0.600
243 3HG1 VAL 2 3HG1 VAL 2 -20.631 3.906 0.291
244 1HG2 VAL 2 1HG2 VAL 2 -21.403 0.301 -0.472
245 2HG2 VAL 2 2HG2 VAL 2 -22.451 1.658 -0.061
246 3HG2 VAL 2 3HG2 VAL 2 -21.206 1.848 -1.295
247 H GLN 3 H GLN 3 -19.754 2.114 2.998
248 HA GLN 3 HA GLN 3 -17.216 3.118 3.526
249 1HB GLN 3 1HB GLN 3 -18.107 3.380 5.903
250 2HB GLN 3 2HB GLN 3 -19.007 4.173 4.619
251 1HG GLN 3 1HG GLN 3 -19.923 1.463 5.199
252 2HG GLN 3 2HG GLN 3 -20.073 2.579 6.555
253 1HE2 GLN 3 2HE2 GLN 3 -21.900 3.652 6.649
254 2HE2 GLN 3 1HE2 GLN 3 -22.932 4.036 5.317
255 H ALA 4 H ALA 4 -18.717 0.094 4.518
256 HA ALA 4 HA ALA 4 -16.939 -0.707 6.490
257 1HB ALA 4 1HB ALA 4 -18.970 -1.949 4.875
258 2HB ALA 4 2HB ALA 4 -17.608 -3.043 5.113
259 3HB ALA 4 3HB ALA 4 -18.434 -2.346 6.507
260 H LEU 5 H LEU 5 -16.539 -0.679 3.022
261 HA LEU 5 HA LEU 5 -13.899 -1.955 3.342
262 1HB LEU 5 1HB LEU 5 -15.909 -1.958 1.161
263 2HB LEU 5 2HB LEU 5 -14.226 -1.967 0.688
264 HG LEU 5 HG LEU 5 -15.366 -3.993 2.601
265 1HD1 LEU 5 1HD1 LEU 5 -16.413 -3.829 0.197
266 2HD1 LEU 5 2HD1 LEU 5 -14.912 -4.628 -0.272
267 3HD1 LEU 5 3HD1 LEU 5 -15.988 -5.390 0.898
268 1HD2 LEU 5 1HD2 LEU 5 -12.779 -3.387 1.964
269 2HD2 LEU 5 2HD2 LEU 5 -13.342 -4.948 2.562
270 3HD2 LEU 5 3HD2 LEU 5 -13.146 -4.687 0.830
271 H LYS 6 H LYS 6 -15.666 0.600 1.745
272 HA LYS 6 HA LYS 6 -13.750 1.996 0.407
273 1HB LYS 6 1HB LYS 6 -16.012 2.675 0.244
274 2HB LYS 6 2HB LYS 6 -16.153 2.868 1.980
275 1HG LYS 6 1HG LYS 6 -14.902 4.876 1.957
276 2HG LYS 6 2HG LYS 6 -14.374 4.607 0.295
277 1HD LYS 6 1HD LYS 6 -16.055 6.169 0.017
278 2HD LYS 6 2HD LYS 6 -16.921 4.651 -0.236
279 1HE LYS 6 1HE LYS 6 -18.360 5.472 1.277
280 2HE LYS 6 2HE LYS 6 -17.154 4.952 2.453
281 1HZ LYS 6 1HZ LYS 6 -17.195 7.662 1.248
282 2HZ LYS 6 2HZ LYS 6 -17.945 7.285 2.717
283 3HZ LYS 6 3HZ LYS 6 -16.268 7.134 2.559
284 H LYS 7 H LYS 7 -14.316 1.917 3.880
285 HA LYS 7 HA LYS 7 -12.427 4.049 4.393
286 1HB LYS 7 1HB LYS 7 -14.202 2.330 6.076
287 2HB LYS 7 2HB LYS 7 -12.862 3.177 6.835
288 1HG LYS 7 1HG LYS 7 -13.878 5.166 6.698
289 2HG LYS 7 2HG LYS 7 -14.502 4.847 5.078
290 1HD LYS 7 1HD LYS 7 -16.460 4.888 6.266
291 2HD LYS 7 2HD LYS 7 -16.068 3.173 6.375
292 1HE LYS 7 1HE LYS 7 -15.593 3.279 8.587
293 2HE LYS 7 2HE LYS 7 -14.944 4.915 8.478
294 1HZ LYS 7 1HZ LYS 7 -17.830 4.472 8.128
295 2HZ LYS 7 2HZ LYS 7 -17.175 4.498 9.687
296 3HZ LYS 7 3HZ LYS 7 -17.017 5.848 8.681
297 H ARG 8 H ARG 8 -12.564 0.533 4.836
298 HA ARG 8 HA ARG 8 -10.192 0.159 6.207
299 1HB ARG 8 1HB ARG 8 -10.331 -2.099 5.641
300 2HB ARG 8 2HB ARG 8 -11.998 -1.552 5.564
301 1HG ARG 8 1HG ARG 8 -12.143 -2.340 3.503
302 2HG ARG 8 2HG ARG 8 -10.899 -1.202 2.985
303 1HD ARG 8 1HD ARG 8 -9.573 -2.935 2.566
304 2HD ARG 8 2HD ARG 8 -9.540 -3.275 4.294
305 HE ARG 8 HE ARG 8 -11.042 -4.682 2.266
306 1HH1 ARG 8 1HH1 ARG 8 -10.680 -4.037 5.679
307 2HH1 ARG 8 2HH1 ARG 8 -11.493 -5.486 6.164
308 1HH2 ARG 8 1HH2 ARG 8 -12.111 -6.586 2.905
309 2HH2 ARG 8 2HH2 ARG 8 -12.305 -6.933 4.591
310 H VAL 9 H VAL 9 -10.650 1.058 2.899
311 HA VAL 9 HA VAL 9 -8.207 0.196 1.813
312 HB VAL 9 HB VAL 9 -9.813 2.634 1.030
313 1HG1 VAL 9 1HG1 VAL 9 -7.344 2.182 0.191
314 2HG1 VAL 9 2HG1 VAL 9 -8.176 1.075 -0.899
315 3HG1 VAL 9 3HG1 VAL 9 -8.593 2.789 -0.895
316 1HG2 VAL 9 1HG2 VAL 9 -10.778 0.133 1.064
317 2HG2 VAL 9 2HG2 VAL 9 -11.229 1.327 -0.154
318 3HG2 VAL 9 3HG2 VAL 9 -9.991 0.123 -0.513
319 H GLN 10 H GLN 10 -9.096 3.173 3.507
320 HA GLN 10 HA GLN 10 -6.742 4.610 3.080
321 1HB GLN 10 1HB GLN 10 -7.400 5.994 4.920
322 2HB GLN 10 2HB GLN 10 -8.855 5.516 4.059
323 1HG GLN 10 1HG GLN 10 -9.715 4.733 5.934
324 2HG GLN 10 2HG GLN 10 -8.380 3.591 6.081
325 1HE2 GLN 10 2HE2 GLN 10 -9.351 6.906 6.798
326 2HE2 GLN 10 1HE2 GLN 10 -8.367 7.082 8.206
327 H ALA 11 H ALA 11 -7.314 1.848 5.043
328 HA ALA 11 HA ALA 11 -5.030 2.308 6.764
329 1HB ALA 11 1HB ALA 11 -7.222 0.330 6.623
330 2HB ALA 11 2HB ALA 11 -5.703 -0.209 7.338
331 3HB ALA 11 3HB ALA 11 -6.549 1.185 8.011
332 H LEU 12 H LEU 12 -5.092 1.593 3.645
333 HA LEU 12 HA LEU 12 -2.901 -0.367 3.856
334 1HB LEU 12 1HB LEU 12 -4.379 -0.077 1.293
335 2HB LEU 12 2HB LEU 12 -3.599 -1.485 1.978
336 HG LEU 12 HG LEU 12 -6.109 -0.422 3.222
337 1HD1 LEU 12 1HD1 LEU 12 -6.444 -0.703 0.749
338 2HD1 LEU 12 2HD1 LEU 12 -6.071 -2.412 0.967
339 3HD1 LEU 12 3HD1 LEU 12 -7.474 -1.706 1.770
340 1HD2 LEU 12 1HD2 LEU 12 -4.511 -2.917 3.272
341 2HD2 LEU 12 2HD2 LEU 12 -5.364 -2.089 4.575
342 3HD2 LEU 12 3HD2 LEU 12 -6.262 -3.067 3.414
343 H LYS 13 H LYS 13 -4.204 2.263 1.858
344 HA LYS 13 HA LYS 13 -1.700 2.723 0.537
345 1HB LYS 13 1HB LYS 13 -2.868 4.715 -0.411
346 2HB LYS 13 2HB LYS 13 -3.693 3.191 -0.694
347 1HG LYS 13 1HG LYS 13 -5.487 4.383 -0.035
348 2HG LYS 13 2HG LYS 13 -4.913 3.938 1.573
349 1HD LYS 13 1HD LYS 13 -4.458 6.056 2.092
350 2HD LYS 13 2HD LYS 13 -3.580 6.300 0.581
351 1HE LYS 13 1HE LYS 13 -5.919 6.437 -0.496
352 2HE LYS 13 2HE LYS 13 -6.498 6.682 1.151
353 1HZ LYS 13 1HZ LYS 13 -4.514 8.449 1.058
354 2HZ LYS 13 2HZ LYS 13 -4.989 8.470 -0.566
355 3HZ LYS 13 3HZ LYS 13 -6.113 8.824 0.648
356 H ALA 14 H ALA 14 -3.140 3.807 3.463
357 HA ALA 14 HA ALA 14 -2.026 6.338 3.765
358 1HB ALA 14 1HB ALA 14 -2.768 4.216 5.754
359 2HB ALA 14 2HB ALA 14 -2.111 5.773 6.257
360 3HB ALA 14 3HB ALA 14 -3.624 5.705 5.354
361 H ARG 15 H ARG 15 -0.683 3.201 4.797
362 HA ARG 15 HA ARG 15 1.866 4.466 5.400
363 1HB ARG 15 1HB ARG 15 0.820 2.688 6.863
364 2HB ARG 15 2HB ARG 15 1.169 1.535 5.583
365 1HG ARG 15 1HG ARG 15 2.885 1.396 7.243
366 2HG ARG 15 2HG ARG 15 3.568 2.106 5.780
367 1HD ARG 15 1HD ARG 15 4.346 3.729 7.095
368 2HD ARG 15 2HD ARG 15 2.683 4.300 7.198
369 HE ARG 15 HE ARG 15 4.171 2.853 9.233
370 1HH1 ARG 15 1HH1 ARG 15 1.083 4.106 8.176
371 2HH1 ARG 15 2HH1 ARG 15 0.382 4.043 9.757
372 1HH2 ARG 15 1HH2 ARG 15 3.243 2.773 11.307
373 2HH2 ARG 15 2HH2 ARG 15 1.605 3.288 11.532
374 H ASN 16 H ASN 16 0.438 2.316 3.028
375 HA ASN 16 HA ASN 16 2.806 1.433 1.800
376 1HB ASN 16 1HB ASN 16 0.746 0.292 1.354
377 2HB ASN 16 2HB ASN 16 0.000 1.755 0.728
378 1HD2 ASN 16 2HD2 ASN 16 -0.398 0.065 -1.007
379 2HD2 ASN 16 1HD2 ASN 16 0.769 -0.013 -2.279
380 H TYR 17 H TYR 17 0.781 4.281 1.229
381 HA TYR 17 HA TYR 17 1.904 5.210 -1.122
382 1HB TYR 17 1HB TYR 17 -0.048 6.269 -0.131
383 2HB TYR 17 2HB TYR 17 0.908 6.811 1.245
384 HD1 TYR 17 HD1 TYR 17 0.204 7.340 -2.322
385 HD2 TYR 17 HD2 TYR 17 2.366 8.724 1.070
386 HE1 TYR 17 HE1 TYR 17 0.725 9.426 -3.513
387 HE2 TYR 17 HE2 TYR 17 2.894 10.815 -0.112
388 HH TYR 17 HH TYR 17 2.514 11.211 -3.405
389 H ALA 18 H ALA 18 3.150 5.355 2.145
390 HA ALA 18 HA ALA 18 5.271 7.184 1.539
391 1HB ALA 18 1HB ALA 18 4.861 5.342 3.894
392 2HB ALA 18 2HB ALA 18 6.120 6.573 3.778
393 3HB ALA 18 3HB ALA 18 4.422 7.048 3.797
394 H LEU 19 H LEU 19 5.069 3.661 2.006
395 HA LEU 19 HA LEU 19 7.826 3.186 1.573
396 1HB LEU 19 1HB LEU 19 5.862 1.095 0.803
397 2HB LEU 19 2HB LEU 19 7.353 0.949 1.707
398 HG LEU 19 HG LEU 19 4.680 1.879 2.738
399 1HD1 LEU 19 1HD1 LEU 19 6.319 -0.571 2.952
400 2HD1 LEU 19 2HD1 LEU 19 5.499 -0.031 4.417
401 3HD1 LEU 19 3HD1 LEU 19 4.567 -0.369 2.958
402 1HD2 LEU 19 1HD2 LEU 19 7.420 2.125 3.928
403 2HD2 LEU 19 2HD2 LEU 19 6.130 3.326 3.844
404 3HD2 LEU 19 3HD2 LEU 19 5.993 1.960 4.952
405 H LYS 20 H LYS 20 5.012 2.780 -0.571
406 HA LYS 20 HA LYS 20 6.195 1.954 -2.881
407 1HB LYS 20 1HB LYS 20 3.711 2.851 -2.209
408 2HB LYS 20 2HB LYS 20 4.248 4.126 -3.292
409 1HG LYS 20 1HG LYS 20 4.914 2.102 -4.827
410 2HG LYS 20 2HG LYS 20 3.706 1.257 -3.857
411 1HD LYS 20 1HD LYS 20 2.194 3.282 -4.385
412 2HD LYS 20 2HD LYS 20 3.356 3.620 -5.669
413 1HE LYS 20 1HE LYS 20 2.897 0.960 -6.029
414 2HE LYS 20 2HE LYS 20 1.323 1.516 -5.464
415 1HZ LYS 20 1HZ LYS 20 1.522 3.300 -7.209
416 2HZ LYS 20 2HZ LYS 20 2.832 2.434 -7.839
417 3HZ LYS 20 3HZ LYS 20 1.296 1.728 -7.788
418 H GLN 21 H GLN 21 6.415 5.109 -1.431
419 HA GLN 21 HA GLN 21 7.542 6.348 -3.777
420 1HB GLN 21 1HB GLN 21 6.187 7.712 -2.339
421 2HB GLN 21 2HB GLN 21 7.173 7.308 -0.942
422 1HG GLN 21 1HG GLN 21 8.619 8.937 -1.373
423 2HG GLN 21 2HG GLN 21 8.743 8.484 -3.072
424 1HE2 GLN 21 2HE2 GLN 21 7.163 10.503 -0.749
425 2HE2 GLN 21 1HE2 GLN 21 6.360 11.536 -1.879
426 H LYS 22 H LYS 22 8.734 5.191 -0.643
427 HA LYS 22 HA LYS 22 11.462 5.911 -1.344
428 1HB LYS 22 1HB LYS 22 12.004 5.057 0.925
429 2HB LYS 22 2HB LYS 22 10.796 6.336 0.925
430 1HG LYS 22 1HG LYS 22 9.434 5.033 2.079
431 2HG LYS 22 2HG LYS 22 9.410 3.885 0.739
432 1HD LYS 22 1HD LYS 22 10.086 2.783 2.804
433 2HD LYS 22 2HD LYS 22 11.413 2.797 1.641
434 1HE LYS 22 1HE LYS 22 12.560 3.483 3.478
435 2HE LYS 22 2HE LYS 22 11.990 5.055 2.920
436 1HZ LYS 22 1HZ LYS 22 10.661 3.384 4.987
437 2HZ LYS 22 2HZ LYS 22 11.626 4.738 5.298
438 3HZ LYS 22 3HZ LYS 22 10.159 4.918 4.474
439 H VAL 23 H VAL 23 9.446 3.193 -1.691
440 HA VAL 23 HA VAL 23 11.033 1.010 -1.246
441 HB VAL 23 HB VAL 23 9.057 1.500 -3.472
442 1HG1 VAL 23 1HG1 VAL 23 10.449 -1.083 -2.766
443 2HG1 VAL 23 2HG1 VAL 23 9.057 -0.944 -3.839
444 3HG1 VAL 23 3HG1 VAL 23 10.589 -0.191 -4.281
445 1HG2 VAL 23 1HG2 VAL 23 8.761 1.004 -0.745
446 2HG2 VAL 23 2HG2 VAL 23 7.510 0.909 -1.982
447 3HG2 VAL 23 3HG2 VAL 23 8.410 -0.536 -1.527
448 H GLN 24 H GLN 24 10.951 2.956 -4.236
449 HA GLN 24 HA GLN 24 13.071 1.512 -5.474
450 1HB GLN 24 1HB GLN 24 12.317 4.333 -6.185
451 2HB GLN 24 2HB GLN 24 12.931 3.063 -7.234
452 1HG GLN 24 1HG GLN 24 10.765 1.835 -6.791
453 2HG GLN 24 2HG GLN 24 10.181 3.331 -6.062
454 1HE2 GLN 24 2HE2 GLN 24 12.084 2.559 -8.960
455 2HE2 GLN 24 1HE2 GLN 24 11.077 3.431 -10.061
456 H ALA 25 H ALA 25 12.884 4.343 -3.426
457 HA ALA 25 HA ALA 25 15.474 5.350 -3.851
458 1HB ALA 25 1HB ALA 25 13.449 6.372 -2.578
459 2HB ALA 25 2HB ALA 25 14.140 5.545 -1.182
460 3HB ALA 25 3HB ALA 25 15.090 6.749 -2.051
461 H LEU 26 H LEU 26 14.270 2.708 -1.927
462 HA LEU 26 HA LEU 26 16.572 2.391 -0.284
463 1HB LEU 26 1HB LEU 26 14.397 0.437 -1.041
464 2HB LEU 26 2HB LEU 26 15.616 0.141 0.183
465 HG LEU 26 HG LEU 26 13.630 2.404 0.317
466 1HD1 LEU 26 1HD1 LEU 26 13.519 -0.392 1.393
467 2HD1 LEU 26 2HD1 LEU 26 12.627 0.933 2.141
468 3HD1 LEU 26 3HD1 LEU 26 12.301 0.485 0.466
469 1HD2 LEU 26 1HD2 LEU 26 15.930 2.364 1.582
470 2HD2 LEU 26 2HD2 LEU 26 14.456 2.879 2.403
471 3HD2 LEU 26 3HD2 LEU 26 15.079 1.247 2.648
472 H ARG 27 H ARG 27 15.367 0.363 -2.963
473 HA ARG 27 HA ARG 27 17.626 -1.216 -3.258
474 1HB ARG 27 1HB ARG 27 16.823 -1.459 -5.680
475 2HB ARG 27 2HB ARG 27 15.715 -1.939 -4.405
476 1HG ARG 27 1HG ARG 27 15.077 0.703 -4.806
477 2HG ARG 27 2HG ARG 27 15.462 0.134 -6.431
478 1HD ARG 27 1HD ARG 27 13.949 -1.916 -5.519
479 2HD ARG 27 2HD ARG 27 13.220 -0.564 -4.655
480 HE ARG 27 HE ARG 27 13.518 0.139 -7.353
481 1HH1 ARG 27 1HH1 ARG 27 11.657 -2.032 -5.352
482 2HH1 ARG 27 2HH1 ARG 27 10.297 -2.054 -6.424
483 1HH2 ARG 27 1HH2 ARG 27 11.730 0.112 -8.763
484 2HH2 ARG 27 2HH2 ARG 27 10.338 -0.837 -8.360
485 H HIS 28 H HIS 28 16.986 2.005 -4.477
486 HA HIS 28 HA HIS 28 19.149 2.103 -6.314
487 1HB HIS 28 1HB HIS 28 17.022 3.687 -5.911
488 2HB HIS 28 2HB HIS 28 18.226 4.615 -5.025
489 HD1 HIS 28 HD1 HIS 28 16.788 4.575 -8.222
490 HD2 HIS 28 HD2 HIS 28 20.705 4.785 -6.852
491 HE1 HIS 28 HE1 HIS 28 18.150 5.562 -10.112
492 H LYS 29 H LYS 29 18.847 2.708 -2.888
493 HA LYS 29 HA LYS 29 21.422 3.976 -2.652
494 1HB LYS 29 1HB LYS 29 19.139 3.785 -1.051
495 2HB LYS 29 2HB LYS 29 20.377 2.900 -0.170
496 1HG LYS 29 1HG LYS 29 21.763 5.107 -0.854
497 2HG LYS 29 2HG LYS 29 20.135 5.777 -0.726
498 1HD LYS 29 1HD LYS 29 20.902 3.963 1.455
499 2HD LYS 29 2HD LYS 29 21.842 5.454 1.364
500 1HE LYS 29 1HE LYS 29 18.940 5.789 1.046
501 2HE LYS 29 2HE LYS 29 19.452 5.208 2.631
502 1HZ LYS 29 1HZ LYS 29 21.190 7.180 2.250
503 2HZ LYS 29 2HZ LYS 29 19.877 7.794 1.378
504 3HZ LYS 29 3HZ LYS 29 19.696 7.399 3.013
505 H GLY 30 H GLY 30 23.090 2.684 -3.235
506 1HA GLY 30 1HA GLY 30 23.883 0.604 -1.458
507 2HA GLY 30 2HA GLY 30 23.309 -0.059 -2.980
508 1HN NH2 31 1HN NH2 31 25.906 1.372 -1.342
509 2HN NH2 31 2HN NH2 31 26.986 1.523 -2.681
Start of MODEL 3
1 1H ACE 0 1H ACE 0 -19.708 6.750 -3.995
2 2H ACE 0 2H ACE 0 -20.573 6.131 -2.588
3 3H ACE 0 3H ACE 0 -21.471 6.804 -3.947
4 H GLU 1 H GLU 1 -18.893 5.161 -5.195
5 HA GLU 1 HA GLU 1 -20.548 3.000 -6.120
6 1HB GLU 1 1HB GLU 1 -17.781 3.968 -6.680
7 2HB GLU 1 2HB GLU 1 -18.186 2.311 -7.105
8 1HG GLU 1 1HG GLU 1 -19.498 2.929 -8.820
9 2HG GLU 1 2HG GLU 1 -20.123 4.343 -7.973
10 H VAL 2 H VAL 2 -20.729 1.042 -5.264
11 HA VAL 2 HA VAL 2 -19.353 0.361 -2.856
12 HB VAL 2 HB VAL 2 -21.060 -1.447 -4.570
13 1HG1 VAL 2 1HG1 VAL 2 -19.812 -1.669 -1.906
14 2HG1 VAL 2 2HG1 VAL 2 -21.481 -2.226 -2.030
15 3HG1 VAL 2 3HG1 VAL 2 -20.238 -2.923 -3.069
16 1HG2 VAL 2 1HG2 VAL 2 -21.756 0.782 -2.766
17 2HG2 VAL 2 2HG2 VAL 2 -22.637 0.115 -4.140
18 3HG2 VAL 2 3HG2 VAL 2 -22.697 -0.697 -2.575
19 H ALA 3 H ALA 3 -19.455 -1.236 -6.054
20 HA ALA 3 HA ALA 3 -17.443 -3.097 -5.568
21 1HB ALA 3 1HB ALA 3 -18.696 -1.950 -7.991
22 2HB ALA 3 2HB ALA 3 -17.157 -2.786 -8.202
23 3HB ALA 3 3HB ALA 3 -18.528 -3.632 -7.485
24 H GLN 4 H GLN 4 -17.210 0.170 -6.941
25 HA GLN 4 HA GLN 4 -14.574 0.264 -7.673
26 1HB GLN 4 1HB GLN 4 -16.318 2.367 -6.402
27 2HB GLN 4 2HB GLN 4 -14.681 2.715 -6.942
28 1HG GLN 4 1HG GLN 4 -17.003 1.814 -8.626
29 2HG GLN 4 2HG GLN 4 -16.205 3.386 -8.649
30 1HE2 GLN 4 2HE2 GLN 4 -16.418 0.443 -10.139
31 2HE2 GLN 4 1HE2 GLN 4 -14.930 0.464 -11.014
32 H LEU 5 H LEU 5 -15.893 0.199 -4.451
33 HA LEU 5 HA LEU 5 -13.365 0.876 -3.204
34 1HB LEU 5 1HB LEU 5 -16.081 0.121 -2.155
35 2HB LEU 5 2HB LEU 5 -14.689 0.236 -1.095
36 HG LEU 5 HG LEU 5 -15.619 2.520 -2.828
37 1HD1 LEU 5 1HD1 LEU 5 -16.294 1.927 0.050
38 2HD1 LEU 5 2HD1 LEU 5 -16.637 3.440 -0.790
39 3HD1 LEU 5 3HD1 LEU 5 -17.417 1.946 -1.311
40 1HD2 LEU 5 1HD2 LEU 5 -13.478 2.087 -0.844
41 2HD2 LEU 5 2HD2 LEU 5 -13.540 3.173 -2.231
42 3HD2 LEU 5 3HD2 LEU 5 -14.351 3.615 -0.730
43 H GLU 6 H GLU 6 -15.345 -1.965 -3.810
44 HA GLU 6 HA GLU 6 -13.947 -3.798 -2.210
45 1HB GLU 6 1HB GLU 6 -15.520 -4.192 -4.759
46 2HB GLU 6 2HB GLU 6 -14.901 -5.517 -3.783
47 1HG GLU 6 1HG GLU 6 -16.287 -4.918 -1.947
48 2HG GLU 6 2HG GLU 6 -16.757 -3.406 -2.723
49 H LYS 7 H LYS 7 -13.241 -2.421 -5.321
50 HA LYS 7 HA LYS 7 -11.113 -4.342 -5.843
51 1HB LYS 7 1HB LYS 7 -11.598 -1.918 -7.534
52 2HB LYS 7 2HB LYS 7 -11.010 -3.504 -8.010
53 1HG LYS 7 1HG LYS 7 -13.788 -3.318 -6.986
54 2HG LYS 7 2HG LYS 7 -13.451 -2.667 -8.589
55 1HD LYS 7 1HD LYS 7 -12.500 -5.403 -7.840
56 2HD LYS 7 2HD LYS 7 -14.174 -5.147 -8.339
57 1HE LYS 7 1HE LYS 7 -13.082 -5.700 -10.323
58 2HE LYS 7 2HE LYS 7 -13.172 -3.940 -10.370
59 1HZ LYS 7 1HZ LYS 7 -10.791 -5.220 -9.221
60 2HZ LYS 7 2HZ LYS 7 -10.954 -5.152 -10.903
61 3HZ LYS 7 3HZ LYS 7 -10.936 -3.724 -9.996
62 H GLU 8 H GLU 8 -11.572 -1.033 -4.822
63 HA GLU 8 HA GLU 8 -8.953 -0.098 -5.164
64 1HB GLU 8 1HB GLU 8 -11.049 1.232 -4.596
65 2HB GLU 8 2HB GLU 8 -10.775 0.754 -2.926
66 1HG GLU 8 1HG GLU 8 -8.621 1.854 -2.933
67 2HG GLU 8 2HG GLU 8 -8.810 2.262 -4.637
68 H VAL 9 H VAL 9 -10.309 -2.271 -2.854
69 HA VAL 9 HA VAL 9 -8.222 -1.934 -0.892
70 HB VAL 9 HB VAL 9 -10.348 -4.068 -1.166
71 1HG1 VAL 9 1HG1 VAL 9 -8.320 -3.564 1.002
72 2HG1 VAL 9 2HG1 VAL 9 -9.779 -4.522 1.249
73 3HG1 VAL 9 3HG1 VAL 9 -8.573 -5.040 0.073
74 1HG2 VAL 9 1HG2 VAL 9 -11.131 -1.743 -0.718
75 2HG2 VAL 9 2HG2 VAL 9 -11.519 -2.894 0.561
76 3HG2 VAL 9 3HG2 VAL 9 -10.183 -1.763 0.769
77 H ALA 10 H ALA 10 -9.188 -4.613 -3.047
78 HA ALA 10 HA ALA 10 -7.000 -6.263 -2.611
79 1HB ALA 10 1HB ALA 10 -8.758 -5.904 -5.024
80 2HB ALA 10 2HB ALA 10 -7.500 -7.137 -4.939
81 3HB ALA 10 3HB ALA 10 -8.837 -7.161 -3.789
82 H GLN 11 H GLN 11 -7.247 -3.330 -4.431
83 HA GLN 11 HA GLN 11 -4.991 -3.664 -6.105
84 1HB GLN 11 1HB GLN 11 -6.691 -1.981 -6.569
85 2HB GLN 11 2HB GLN 11 -6.314 -1.151 -5.067
86 1HG GLN 11 1HG GLN 11 -4.881 0.102 -6.189
87 2HG GLN 11 2HG GLN 11 -3.890 -1.334 -6.440
88 1HE2 GLN 11 2HE2 GLN 11 -7.041 -0.413 -7.764
89 2HE2 GLN 11 1HE2 GLN 11 -6.561 -0.480 -9.422
90 H LEU 12 H LEU 12 -5.411 -1.971 -2.994
91 HA LEU 12 HA LEU 12 -2.580 -1.471 -2.767
92 1HB LEU 12 1HB LEU 12 -4.747 -1.132 -0.694
93 2HB LEU 12 2HB LEU 12 -3.125 -0.475 -0.617
94 HG LEU 12 HG LEU 12 -5.116 0.286 -2.750
95 1HD1 LEU 12 1HD1 LEU 12 -4.497 1.595 -0.110
96 2HD1 LEU 12 2HD1 LEU 12 -5.332 2.402 -1.438
97 3HD1 LEU 12 3HD1 LEU 12 -6.054 0.987 -0.670
98 1HD2 LEU 12 1HD2 LEU 12 -2.767 0.629 -3.332
99 2HD2 LEU 12 2HD2 LEU 12 -3.602 2.165 -3.106
100 3HD2 LEU 12 3HD2 LEU 12 -2.531 1.551 -1.847
101 H GLU 13 H GLU 13 -4.887 -3.806 -1.542
102 HA GLU 13 HA GLU 13 -3.367 -4.880 0.549
103 1HB GLU 13 1HB GLU 13 -5.640 -5.802 -1.116
104 2HB GLU 13 2HB GLU 13 -4.730 -7.050 -0.275
105 1HG GLU 13 1HG GLU 13 -5.097 -5.848 1.845
106 2HG GLU 13 2HG GLU 13 -6.084 -4.673 0.976
107 H ALA 14 H ALA 14 -3.052 -5.194 -2.881
108 HA ALA 14 HA ALA 14 -1.314 -7.519 -2.683
109 1HB ALA 14 1HB ALA 14 -2.352 -5.923 -5.010
110 2HB ALA 14 2HB ALA 14 -1.148 -7.199 -5.189
111 3HB ALA 14 3HB ALA 14 -2.750 -7.579 -4.555
112 H GLU 15 H GLU 15 -1.119 -4.070 -3.398
113 HA GLU 15 HA GLU 15 1.718 -4.180 -3.926
114 1HB GLU 15 1HB GLU 15 -0.008 -2.547 -4.946
115 2HB GLU 15 2HB GLU 15 0.146 -1.665 -3.432
116 1HG GLU 15 1HG GLU 15 2.065 -0.748 -4.059
117 2HG GLU 15 2HG GLU 15 2.731 -2.303 -4.558
118 H ASN 16 H ASN 16 -0.329 -2.654 -1.435
119 HA ASN 16 HA ASN 16 1.633 -1.661 0.219
120 1HB ASN 16 1HB ASN 16 -0.764 -1.239 0.538
121 2HB ASN 16 2HB ASN 16 -0.998 -2.907 1.047
122 1HD2 ASN 16 2HD2 ASN 16 -1.868 -2.046 2.993
123 2HD2 ASN 16 1HD2 ASN 16 -0.821 -1.496 4.252
124 H TYR 17 H TYR 17 0.577 -4.964 -0.171
125 HA TYR 17 HA TYR 17 2.056 -5.893 2.143
126 1HB TYR 17 1HB TYR 17 -0.003 -7.035 1.681
127 2HB TYR 17 2HB TYR 17 0.465 -7.327 0.011
128 HD1 TYR 17 HD1 TYR 17 1.959 -7.963 3.386
129 HD2 TYR 17 HD2 TYR 17 0.978 -9.519 -0.451
130 HE1 TYR 17 HE1 TYR 17 2.894 -10.142 4.037
131 HE2 TYR 17 HE2 TYR 17 1.910 -11.703 0.190
132 HH TYR 17 HH TYR 17 3.696 -12.508 1.917
133 H GLN 18 H GLN 18 2.284 -6.088 -1.384
134 HA GLN 18 HA GLN 18 4.494 -7.769 -1.579
135 1HB GLN 18 1HB GLN 18 3.095 -5.878 -3.319
136 2HB GLN 18 2HB GLN 18 4.804 -6.035 -3.700
137 1HG GLN 18 1HG GLN 18 4.555 -8.434 -3.943
138 2HG GLN 18 2HG GLN 18 2.855 -8.319 -3.491
139 1HE2 GLN 18 2HE2 GLN 18 5.183 -7.073 -5.850
140 2HE2 GLN 18 1HE2 GLN 18 4.079 -7.024 -7.177
141 H LEU 19 H LEU 19 4.358 -4.247 -1.201
142 HA LEU 19 HA LEU 19 7.173 -3.873 -1.388
143 1HB LEU 19 1HB LEU 19 5.023 -2.115 -0.213
144 2HB LEU 19 2HB LEU 19 6.685 -1.618 -0.462
145 HG LEU 19 HG LEU 19 4.674 -2.326 -2.596
146 1HD1 LEU 19 1HD1 LEU 19 5.035 0.034 -1.257
147 2HD1 LEU 19 2HD1 LEU 19 6.046 0.246 -2.686
148 3HD1 LEU 19 3HD1 LEU 19 4.334 -0.136 -2.868
149 1HD2 LEU 19 1HD2 LEU 19 7.599 -2.254 -2.644
150 2HD2 LEU 19 2HD2 LEU 19 6.461 -2.981 -3.778
151 3HD2 LEU 19 3HD2 LEU 19 6.830 -1.261 -3.884
152 H GLU 20 H GLU 20 4.904 -3.991 1.348
153 HA GLU 20 HA GLU 20 6.659 -3.504 3.419
154 1HB GLU 20 1HB GLU 20 4.083 -3.954 3.394
155 2HB GLU 20 2HB GLU 20 4.557 -5.616 3.718
156 1HG GLU 20 1HG GLU 20 5.664 -4.965 5.744
157 2HG GLU 20 2HG GLU 20 5.388 -3.259 5.393
158 H GLN 21 H GLN 21 6.377 -6.335 1.437
159 HA GLN 21 HA GLN 21 8.076 -7.891 3.234
160 1HB GLN 21 1HB GLN 21 5.951 -8.608 1.644
161 2HB GLN 21 2HB GLN 21 7.328 -9.114 0.677
162 1HG GLN 21 1HG GLN 21 8.176 -10.357 2.660
163 2HG GLN 21 2HG GLN 21 6.670 -9.958 3.487
164 1HE2 GLN 21 2HE2 GLN 21 7.312 -12.549 3.223
165 2HE2 GLN 21 1HE2 GLN 21 6.299 -13.319 2.055
166 H GLU 22 H GLU 22 8.209 -6.101 0.267
167 HA GLU 22 HA GLU 22 10.757 -7.275 -0.511
168 1HB GLU 22 1HB GLU 22 8.693 -6.216 -1.963
169 2HB GLU 22 2HB GLU 22 9.841 -4.884 -1.955
170 1HG GLU 22 1HG GLU 22 10.934 -7.550 -2.583
171 2HG GLU 22 2HG GLU 22 9.851 -6.839 -3.779
172 H VAL 23 H VAL 23 9.528 -4.459 1.101
173 HA VAL 23 HA VAL 23 11.907 -2.884 0.817
174 HB VAL 23 HB VAL 23 9.702 -2.548 2.854
175 1HG1 VAL 23 1HG1 VAL 23 12.015 -0.903 1.976
176 2HG1 VAL 23 2HG1 VAL 23 10.516 -0.074 2.396
177 3HG1 VAL 23 3HG1 VAL 23 11.315 -1.107 3.581
178 1HG2 VAL 23 1HG2 VAL 23 9.342 -2.514 0.145
179 2HG2 VAL 23 2HG2 VAL 23 8.348 -1.644 1.312
180 3HG2 VAL 23 3HG2 VAL 23 9.672 -0.817 0.494
181 H ALA 24 H ALA 24 10.720 -5.248 3.086
182 HA ALA 24 HA ALA 24 12.295 -4.675 5.313
183 1HB ALA 24 1HB ALA 24 10.397 -6.397 5.014
184 2HB ALA 24 2HB ALA 24 11.682 -7.492 4.504
185 3HB ALA 24 3HB ALA 24 11.721 -6.778 6.116
186 H GLN 25 H GLN 25 13.171 -6.039 2.254
187 HA GLN 25 HA GLN 25 15.746 -6.968 3.283
188 1HB GLN 25 1HB GLN 25 14.573 -7.208 0.507
189 2HB GLN 25 2HB GLN 25 16.062 -7.959 1.066
190 1HG GLN 25 1HG GLN 25 14.305 -8.888 2.901
191 2HG GLN 25 2HG GLN 25 13.269 -8.754 1.481
192 1HE2 GLN 25 2HE2 GLN 25 16.190 -10.203 2.762
193 2HE2 GLN 25 1HE2 GLN 25 16.261 -11.515 1.640
194 H LEU 26 H LEU 26 14.360 -4.585 1.087
195 HA LEU 26 HA LEU 26 16.717 -3.640 -0.072
196 1HB LEU 26 1HB LEU 26 14.167 -2.162 0.575
197 2HB LEU 26 2HB LEU 26 15.444 -1.531 -0.447
198 HG LEU 26 HG LEU 26 13.957 -4.080 -1.054
199 1HD1 LEU 26 1HD1 LEU 26 12.757 -1.664 -1.019
200 2HD1 LEU 26 2HD1 LEU 26 13.419 -1.672 -2.654
201 3HD1 LEU 26 3HD1 LEU 26 12.333 -2.962 -2.137
202 1HD2 LEU 26 1HD2 LEU 26 15.920 -2.364 -2.538
203 2HD2 LEU 26 2HD2 LEU 26 15.987 -4.096 -2.216
204 3HD2 LEU 26 3HD2 LEU 26 14.825 -3.460 -3.379
205 H GLU 27 H GLU 27 14.912 -2.039 2.563
206 HA GLU 27 HA GLU 27 17.299 -0.576 3.319
207 1HB GLU 27 1HB GLU 27 15.798 0.489 5.001
208 2HB GLU 27 2HB GLU 27 15.237 0.655 3.344
209 1HG GLU 27 1HG GLU 27 13.284 -0.175 3.952
210 2HG GLU 27 2HG GLU 27 14.077 -1.701 4.340
211 H HIS 28 H HIS 28 18.076 -3.007 3.711
212 HA HIS 28 HA HIS 28 17.355 -4.239 6.154
213 1HB HIS 28 1HB HIS 28 18.633 -5.207 4.101
214 2HB HIS 28 2HB HIS 28 20.065 -4.570 4.904
215 HD1 HIS 28 HD1 HIS 28 18.441 -7.643 4.575
216 HD2 HIS 28 HD2 HIS 28 19.862 -5.518 7.850
217 HE1 HIS 28 HE1 HIS 28 18.757 -9.330 6.433
218 H GLU 29 H GLU 29 19.640 -1.741 5.312
219 HA GLU 29 HA GLU 29 21.284 -1.810 7.575
220 1HB GLU 29 1HB GLU 29 20.908 -0.119 5.326
221 2HB GLU 29 2HB GLU 29 20.880 0.904 6.755
222 1HG GLU 29 1HG GLU 29 23.120 0.767 5.909
223 2HG GLU 29 2HG GLU 29 23.028 -0.067 7.460
224 H GLY 30 H GLY 30 18.095 -0.451 7.074
225 1HA GLY 30 1HA GLY 30 18.135 0.675 9.791
226 2HA GLY 30 2HA GLY 30 16.975 1.082 8.537
227 1HN NH2 31 1HN NH2 31 18.052 -1.652 10.519
228 2HN NH2 31 2HN NH2 31 16.484 -2.351 10.716
229 1H ACE 0 1H ACE 0 -21.215 -1.524 6.436
230 2H ACE 0 2H ACE 0 -19.825 -0.452 6.601
231 3H ACE 0 3H ACE 0 -19.656 -2.174 6.941
232 H GLU 1 H GLU 1 -21.674 -1.397 4.298
233 HA GLU 1 HA GLU 1 -20.100 -2.800 2.433
234 1HB GLU 1 1HB GLU 1 -22.274 -0.801 1.810
235 2HB GLU 1 2HB GLU 1 -21.726 -2.123 0.788
236 1HG GLU 1 1HG GLU 1 -23.202 -2.344 3.399
237 2HG GLU 1 2HG GLU 1 -23.820 -2.710 1.790
238 H VAL 2 H VAL 2 -20.987 0.649 2.317
239 HA VAL 2 HA VAL 2 -18.685 1.208 0.634
240 HB VAL 2 HB VAL 2 -20.684 3.201 1.683
241 1HG1 VAL 2 1HG1 VAL 2 -18.855 3.196 -0.714
242 2HG1 VAL 2 2HG1 VAL 2 -20.048 4.443 -0.352
243 3HG1 VAL 2 3HG1 VAL 2 -18.686 4.182 0.739
244 1HG2 VAL 2 1HG2 VAL 2 -20.973 1.133 -0.399
245 2HG2 VAL 2 2HG2 VAL 2 -22.199 1.947 0.571
246 3HG2 VAL 2 3HG2 VAL 2 -21.512 2.753 -0.840
247 H GLN 3 H GLN 3 -19.407 1.263 3.946
248 HA GLN 3 HA GLN 3 -17.446 3.322 4.550
249 1HB GLN 3 1HB GLN 3 -19.646 3.167 5.769
250 2HB GLN 3 2HB GLN 3 -19.060 1.684 6.506
251 1HG GLN 3 1HG GLN 3 -17.481 2.781 7.780
252 2HG GLN 3 2HG GLN 3 -17.451 4.187 6.718
253 1HE2 GLN 3 2HE2 GLN 3 -19.089 5.730 6.881
254 2HE2 GLN 3 1HE2 GLN 3 -20.102 5.840 8.276
255 H ALA 4 H ALA 4 -18.035 0.106 5.952
256 HA ALA 4 HA ALA 4 -15.558 -0.283 7.087
257 1HB ALA 4 1HB ALA 4 -17.761 -1.649 7.241
258 2HB ALA 4 2HB ALA 4 -17.028 -2.620 5.964
259 3HB ALA 4 3HB ALA 4 -16.210 -2.442 7.516
260 H LEU 5 H LEU 5 -16.283 -0.350 3.741
261 HA LEU 5 HA LEU 5 -13.838 -1.871 3.146
262 1HB LEU 5 1HB LEU 5 -16.340 -1.276 1.679
263 2HB LEU 5 2HB LEU 5 -14.882 -1.427 0.729
264 HG LEU 5 HG LEU 5 -15.531 -3.589 2.679
265 1HD1 LEU 5 1HD1 LEU 5 -16.923 -3.150 0.047
266 2HD1 LEU 5 2HD1 LEU 5 -16.852 -4.711 0.866
267 3HD1 LEU 5 3HD1 LEU 5 -17.653 -3.345 1.641
268 1HD2 LEU 5 1HD2 LEU 5 -13.450 -3.321 1.117
269 2HD2 LEU 5 2HD2 LEU 5 -14.209 -4.898 1.330
270 3HD2 LEU 5 3HD2 LEU 5 -14.548 -3.943 -0.113
271 H LYS 6 H LYS 6 -15.388 1.174 2.941
272 HA LYS 6 HA LYS 6 -13.658 2.478 1.133
273 1HB LYS 6 1HB LYS 6 -15.856 3.277 1.443
274 2HB LYS 6 2HB LYS 6 -15.664 3.323 3.183
275 1HG LYS 6 1HG LYS 6 -15.423 5.523 2.834
276 2HG LYS 6 2HG LYS 6 -13.761 5.089 2.433
277 1HD LYS 6 1HD LYS 6 -14.033 5.599 0.265
278 2HD LYS 6 2HD LYS 6 -15.619 4.827 0.193
279 1HE LYS 6 1HE LYS 6 -15.196 7.479 1.539
280 2HE LYS 6 2HE LYS 6 -15.514 7.352 -0.191
281 1HZ LYS 6 1HZ LYS 6 -17.331 5.898 1.551
282 2HZ LYS 6 2HZ LYS 6 -17.426 7.585 1.632
283 3HZ LYS 6 3HZ LYS 6 -17.654 6.794 0.153
284 H LYS 7 H LYS 7 -14.085 3.070 4.614
285 HA LYS 7 HA LYS 7 -11.767 4.581 4.950
286 1HB LYS 7 1HB LYS 7 -13.504 3.033 6.842
287 2HB LYS 7 2HB LYS 7 -12.060 3.856 7.416
288 1HG LYS 7 1HG LYS 7 -13.487 5.556 7.748
289 2HG LYS 7 2HG LYS 7 -13.214 5.852 6.030
290 1HD LYS 7 1HD LYS 7 -15.238 3.930 6.123
291 2HD LYS 7 2HD LYS 7 -15.635 5.076 7.405
292 1HE LYS 7 1HE LYS 7 -14.784 6.282 4.862
293 2HE LYS 7 2HE LYS 7 -16.305 5.394 4.798
294 1HZ LYS 7 1HZ LYS 7 -16.801 6.764 6.940
295 2HZ LYS 7 2HZ LYS 7 -15.629 7.813 6.315
296 3HZ LYS 7 3HZ LYS 7 -17.017 7.462 5.414
297 H ARG 8 H ARG 8 -12.098 1.178 4.596
298 HA ARG 8 HA ARG 8 -9.731 0.480 6.049
299 1HB ARG 8 1HB ARG 8 -10.133 -1.731 5.414
300 2HB ARG 8 2HB ARG 8 -11.735 -1.028 5.550
301 1HG ARG 8 1HG ARG 8 -12.205 -1.430 3.412
302 2HG ARG 8 2HG ARG 8 -10.652 -0.811 2.859
303 1HD ARG 8 1HD ARG 8 -10.105 -2.916 2.385
304 2HD ARG 8 2HD ARG 8 -10.017 -3.195 4.121
305 HE ARG 8 HE ARG 8 -12.068 -4.101 2.318
306 1HH1 ARG 8 1HH1 ARG 8 -11.281 -3.371 5.641
307 2HH1 ARG 8 2HH1 ARG 8 -12.516 -4.397 6.289
308 1HH2 ARG 8 1HH2 ARG 8 -13.693 -5.451 3.172
309 2HH2 ARG 8 2HH2 ARG 8 -13.884 -5.579 4.889
310 H VAL 9 H VAL 9 -10.417 1.482 2.793
311 HA VAL 9 HA VAL 9 -8.153 0.464 1.492
312 HB VAL 9 HB VAL 9 -9.636 3.034 0.908
313 1HG1 VAL 9 1HG1 VAL 9 -7.345 2.811 -0.120
314 2HG1 VAL 9 2HG1 VAL 9 -7.957 1.404 -0.988
315 3HG1 VAL 9 3HG1 VAL 9 -8.673 2.990 -1.266
316 1HG2 VAL 9 1HG2 VAL 9 -10.180 0.185 0.335
317 2HG2 VAL 9 2HG2 VAL 9 -11.296 1.530 0.569
318 3HG2 VAL 9 3HG2 VAL 9 -10.471 1.327 -0.977
319 H GLN 10 H GLN 10 -8.669 3.661 2.979
320 HA GLN 10 HA GLN 10 -6.182 4.763 2.503
321 1HB GLN 10 1HB GLN 10 -6.620 6.266 4.339
322 2HB GLN 10 2HB GLN 10 -8.122 5.970 3.474
323 1HG GLN 10 1HG GLN 10 -9.064 5.444 5.402
324 2HG GLN 10 2HG GLN 10 -8.020 4.026 5.478
325 1HE2 GLN 10 2HE2 GLN 10 -9.040 6.558 7.203
326 2HE2 GLN 10 1HE2 GLN 10 -7.678 6.807 8.237
327 H ALA 11 H ALA 11 -7.102 2.331 4.814
328 HA ALA 11 HA ALA 11 -4.796 2.532 6.473
329 1HB ALA 11 1HB ALA 11 -7.081 0.684 6.201
330 2HB ALA 11 2HB ALA 11 -5.616 0.019 6.924
331 3HB ALA 11 3HB ALA 11 -6.388 1.434 7.639
332 H LEU 12 H LEU 12 -5.372 1.138 3.385
333 HA LEU 12 HA LEU 12 -3.109 -0.685 3.578
334 1HB LEU 12 1HB LEU 12 -4.503 -0.148 1.002
335 2HB LEU 12 2HB LEU 12 -3.821 -1.642 1.603
336 HG LEU 12 HG LEU 12 -6.276 -0.494 2.887
337 1HD1 LEU 12 1HD1 LEU 12 -6.556 -0.630 0.376
338 2HD1 LEU 12 2HD1 LEU 12 -6.359 -2.374 0.546
339 3HD1 LEU 12 3HD1 LEU 12 -7.703 -1.557 1.343
340 1HD2 LEU 12 1HD2 LEU 12 -4.730 -2.618 3.527
341 2HD2 LEU 12 2HD2 LEU 12 -6.451 -2.500 3.891
342 3HD2 LEU 12 3HD2 LEU 12 -5.910 -3.380 2.462
343 H LYS 13 H LYS 13 -4.075 2.185 1.737
344 HA LYS 13 HA LYS 13 -1.507 2.420 0.464
345 1HB LYS 13 1HB LYS 13 -2.439 4.545 -0.438
346 2HB LYS 13 2HB LYS 13 -3.428 3.134 -0.777
347 1HG LYS 13 1HG LYS 13 -5.140 4.327 -0.012
348 2HG LYS 13 2HG LYS 13 -4.464 4.067 1.597
349 1HD LYS 13 1HD LYS 13 -4.356 6.294 1.746
350 2HD LYS 13 2HD LYS 13 -2.984 6.171 0.641
351 1HE LYS 13 1HE LYS 13 -5.469 6.107 -0.814
352 2HE LYS 13 2HE LYS 13 -5.394 7.532 0.221
353 1HZ LYS 13 1HZ LYS 13 -3.198 8.018 -0.757
354 2HZ LYS 13 2HZ LYS 13 -3.399 6.719 -1.822
355 3HZ LYS 13 3HZ LYS 13 -4.447 8.045 -1.900
356 H ALA 14 H ALA 14 -2.837 3.443 3.444
357 HA ALA 14 HA ALA 14 -1.528 5.864 3.889
358 1HB ALA 14 1HB ALA 14 -2.675 3.746 5.608
359 2HB ALA 14 2HB ALA 14 -1.548 4.870 6.370
360 3HB ALA 14 3HB ALA 14 -2.998 5.481 5.571
361 H ARG 15 H ARG 15 -0.459 2.592 4.820
362 HA ARG 15 HA ARG 15 2.166 3.551 5.528
363 1HB ARG 15 1HB ARG 15 1.017 1.682 6.725
364 2HB ARG 15 2HB ARG 15 1.194 0.700 5.277
365 1HG ARG 15 1HG ARG 15 2.952 0.053 6.676
366 2HG ARG 15 2HG ARG 15 3.691 1.121 5.480
367 1HD ARG 15 1HD ARG 15 4.555 2.217 7.225
368 2HD ARG 15 2HD ARG 15 2.932 2.860 7.469
369 HE ARG 15 HE ARG 15 2.722 1.540 9.330
370 1HH1 ARG 15 1HH1 ARG 15 5.466 0.452 7.469
371 2HH1 ARG 15 2HH1 ARG 15 6.019 -0.644 8.690
372 1HH2 ARG 15 1HH2 ARG 15 3.447 0.098 10.938
373 2HH2 ARG 15 2HH2 ARG 15 4.872 -0.846 10.659
374 H ASN 16 H ASN 16 0.683 1.808 2.857
375 HA ASN 16 HA ASN 16 3.037 1.006 1.552
376 1HB ASN 16 1HB ASN 16 0.911 0.037 0.951
377 2HB ASN 16 2HB ASN 16 0.284 1.602 0.457
378 1HD2 ASN 16 2HD2 ASN 16 -0.128 1.160 -1.639
379 2HD2 ASN 16 1HD2 ASN 16 1.082 0.741 -2.798
380 H TYR 17 H TYR 17 1.143 3.984 1.354
381 HA TYR 17 HA TYR 17 2.329 5.173 -0.844
382 1HB TYR 17 1HB TYR 17 0.399 6.152 0.282
383 2HB TYR 17 2HB TYR 17 1.378 6.496 1.706
384 HD1 TYR 17 HD1 TYR 17 1.371 7.194 -1.968
385 HD2 TYR 17 HD2 TYR 17 2.205 8.637 1.946
386 HE1 TYR 17 HE1 TYR 17 1.961 9.388 -2.910
387 HE2 TYR 17 HE2 TYR 17 2.796 10.835 1.016
388 HH TYR 17 HH TYR 17 2.323 12.165 -1.011
389 H ALA 18 H ALA 18 3.500 4.944 2.465
390 HA ALA 18 HA ALA 18 5.691 6.731 2.119
391 1HB ALA 18 1HB ALA 18 4.664 6.110 4.318
392 2HB ALA 18 2HB ALA 18 5.451 4.539 4.173
393 3HB ALA 18 3HB ALA 18 6.425 6.006 4.271
394 H LEU 19 H LEU 19 5.388 3.187 2.051
395 HA LEU 19 HA LEU 19 8.134 2.696 1.581
396 1HB LEU 19 1HB LEU 19 6.122 0.818 0.463
397 2HB LEU 19 2HB LEU 19 7.593 0.482 1.349
398 HG LEU 19 HG LEU 19 4.946 1.352 2.499
399 1HD1 LEU 19 1HD1 LEU 19 5.306 -1.051 1.814
400 2HD1 LEU 19 2HD1 LEU 19 6.545 -1.128 3.066
401 3HD1 LEU 19 3HD1 LEU 19 4.870 -0.781 3.501
402 1HD2 LEU 19 1HD2 LEU 19 7.010 2.390 3.578
403 2HD2 LEU 19 2HD2 LEU 19 5.921 1.484 4.629
404 3HD2 LEU 19 3HD2 LEU 19 7.427 0.751 4.078
405 H LYS 20 H LYS 20 5.357 2.650 -0.655
406 HA LYS 20 HA LYS 20 6.554 2.188 -3.040
407 1HB LYS 20 1HB LYS 20 4.091 3.051 -2.277
408 2HB LYS 20 2HB LYS 20 4.691 4.470 -3.126
409 1HG LYS 20 1HG LYS 20 4.467 3.508 -5.125
410 2HG LYS 20 2HG LYS 20 5.165 1.985 -4.571
411 1HD LYS 20 1HD LYS 20 3.147 1.059 -4.422
412 2HD LYS 20 2HD LYS 20 2.581 2.364 -3.378
413 1HE LYS 20 1HE LYS 20 2.816 2.965 -6.267
414 2HE LYS 20 2HE LYS 20 1.531 1.857 -5.788
415 1HZ LYS 20 1HZ LYS 20 1.226 3.799 -3.989
416 2HZ LYS 20 2HZ LYS 20 1.800 4.701 -5.298
417 3HZ LYS 20 3HZ LYS 20 0.406 3.758 -5.467
418 H GLN 21 H GLN 21 6.845 5.083 -1.122
419 HA GLN 21 HA GLN 21 8.057 6.626 -3.228
420 1HB GLN 21 1HB GLN 21 6.746 7.805 -1.606
421 2HB GLN 21 2HB GLN 21 7.681 7.133 -0.279
422 1HG GLN 21 1HG GLN 21 9.522 8.488 -0.731
423 2HG GLN 21 2HG GLN 21 8.970 8.848 -2.366
424 1HE2 GLN 21 2HE2 GLN 21 8.902 11.026 -2.247
425 2HE2 GLN 21 1HE2 GLN 21 7.866 11.910 -1.184
426 H LYS 22 H LYS 22 9.178 4.912 -0.329
427 HA LYS 22 HA LYS 22 11.934 5.650 -0.894
428 1HB LYS 22 1HB LYS 22 12.433 4.373 1.191
429 2HB LYS 22 2HB LYS 22 11.309 5.705 1.415
430 1HG LYS 22 1HG LYS 22 9.815 4.335 2.293
431 2HG LYS 22 2HG LYS 22 9.819 3.354 0.827
432 1HD LYS 22 1HD LYS 22 10.395 1.907 2.620
433 2HD LYS 22 2HD LYS 22 11.882 2.220 1.722
434 1HE LYS 22 1HE LYS 22 12.597 2.500 3.891
435 2HE LYS 22 2HE LYS 22 12.177 4.154 3.450
436 1HZ LYS 22 1HZ LYS 22 10.094 2.492 4.658
437 2HZ LYS 22 2HZ LYS 22 11.326 3.063 5.667
438 3HZ LYS 22 3HZ LYS 22 10.368 4.156 4.802
439 H VAL 23 H VAL 23 9.861 2.824 -1.067
440 HA VAL 23 HA VAL 23 11.404 0.667 -1.239
441 HB VAL 23 HB VAL 23 9.296 1.422 -3.266
442 1HG1 VAL 23 1HG1 VAL 23 10.949 -1.011 -2.978
443 2HG1 VAL 23 2HG1 VAL 23 9.224 -1.258 -3.249
444 3HG1 VAL 23 3HG1 VAL 23 10.172 -0.326 -4.406
445 1HG2 VAL 23 1HG2 VAL 23 9.051 0.931 -0.569
446 2HG2 VAL 23 2HG2 VAL 23 7.763 0.797 -1.766
447 3HG2 VAL 23 3HG2 VAL 23 8.682 -0.633 -1.294
448 H GLN 24 H GLN 24 10.969 2.807 -4.066
449 HA GLN 24 HA GLN 24 12.971 1.518 -5.609
450 1HB GLN 24 1HB GLN 24 12.072 4.362 -6.010
451 2HB GLN 24 2HB GLN 24 12.643 3.220 -7.217
452 1HG GLN 24 1HG GLN 24 10.036 3.057 -5.720
453 2HG GLN 24 2HG GLN 24 10.247 3.566 -7.394
454 1HE2 GLN 24 2HE2 GLN 24 8.862 1.253 -5.973
455 2HE2 GLN 24 1HE2 GLN 24 9.376 -0.138 -6.861
456 H ALA 25 H ALA 25 12.943 4.427 -3.597
457 HA ALA 25 HA ALA 25 15.476 5.410 -4.166
458 1HB ALA 25 1HB ALA 25 13.494 6.214 -2.554
459 2HB ALA 25 2HB ALA 25 14.605 5.569 -1.347
460 3HB ALA 25 3HB ALA 25 15.138 6.841 -2.446
461 H LEU 26 H LEU 26 14.503 2.744 -2.118
462 HA LEU 26 HA LEU 26 17.024 2.426 -0.817
463 1HB LEU 26 1HB LEU 26 14.804 0.413 -1.193
464 2HB LEU 26 2HB LEU 26 16.134 0.281 -0.057
465 HG LEU 26 HG LEU 26 13.945 2.357 0.027
466 1HD1 LEU 26 1HD1 LEU 26 14.432 -0.191 1.524
467 2HD1 LEU 26 2HD1 LEU 26 13.492 1.123 2.231
468 3HD1 LEU 26 3HD1 LEU 26 12.961 0.368 0.728
469 1HD2 LEU 26 1HD2 LEU 26 16.138 3.164 0.848
470 2HD2 LEU 26 2HD2 LEU 26 14.912 3.073 2.112
471 3HD2 LEU 26 3HD2 LEU 26 16.160 1.831 2.003
472 H ARG 27 H ARG 27 15.374 0.341 -3.193
473 HA ARG 27 HA ARG 27 17.516 -1.296 -3.798
474 1HB ARG 27 1HB ARG 27 16.334 -1.614 -6.036
475 2HB ARG 27 2HB ARG 27 15.411 -1.977 -4.586
476 1HG ARG 27 1HG ARG 27 14.744 0.610 -4.956
477 2HG ARG 27 2HG ARG 27 15.008 0.100 -6.624
478 1HD ARG 27 1HD ARG 27 13.535 -1.932 -5.281
479 2HD ARG 27 2HD ARG 27 12.762 -0.381 -4.961
480 HE ARG 27 HE ARG 27 13.173 -0.308 -7.627
481 1HH1 ARG 27 1HH1 ARG 27 11.703 -2.673 -5.520
482 2HH1 ARG 27 2HH1 ARG 27 10.606 -3.251 -6.729
483 1HH2 ARG 27 1HH2 ARG 27 11.732 -1.069 -9.218
484 2HH2 ARG 27 2HH2 ARG 27 10.622 -2.341 -8.829
485 H HIS 28 H HIS 28 16.807 1.923 -4.982
486 HA HIS 28 HA HIS 28 18.938 1.777 -6.960
487 1HB HIS 28 1HB HIS 28 16.637 3.507 -6.481
488 2HB HIS 28 2HB HIS 28 18.093 4.416 -6.866
489 HD1 HIS 28 HD1 HIS 28 19.246 2.281 -8.928
490 HD2 HIS 28 HD2 HIS 28 15.398 3.847 -8.890
491 HE1 HIS 28 HE1 HIS 28 18.356 2.036 -11.282
492 H LYS 29 H LYS 29 18.176 4.355 -4.633
493 HA LYS 29 HA LYS 29 20.936 5.042 -4.348
494 1HB LYS 29 1HB LYS 29 18.350 6.087 -3.429
495 2HB LYS 29 2HB LYS 29 19.664 6.328 -2.288
496 1HG LYS 29 1HG LYS 29 20.129 8.164 -3.451
497 2HG LYS 29 2HG LYS 29 20.793 7.079 -4.674
498 1HD LYS 29 1HD LYS 29 19.315 8.458 -5.857
499 2HD LYS 29 2HD LYS 29 18.412 6.964 -5.603
500 1HE LYS 29 1HE LYS 29 16.865 8.599 -5.051
501 2HE LYS 29 2HE LYS 29 17.521 8.137 -3.481
502 1HZ LYS 29 1HZ LYS 29 18.539 10.443 -5.041
503 2HZ LYS 29 2HZ LYS 29 17.315 10.582 -3.883
504 3HZ LYS 29 3HZ LYS 29 18.859 10.066 -3.424
505 H GLY 30 H GLY 30 22.336 4.637 -2.691
506 1HA GLY 30 1HA GLY 30 22.393 4.018 -0.224
507 2HA GLY 30 2HA GLY 30 21.431 2.634 -0.720
508 1HN NH2 31 1HN NH2 31 22.791 2.098 -3.146
509 2HN NH2 31 2HN NH2 31 24.357 1.482 -2.750
Start of MODEL 4
1 1H ACE 0 1H ACE 0 -22.360 5.856 -1.849
2 2H ACE 0 2H ACE 0 -23.203 6.234 -3.352
3 3H ACE 0 3H ACE 0 -21.714 7.084 -2.938
4 H GLU 1 H GLU 1 -19.996 6.403 -4.040
5 HA GLU 1 HA GLU 1 -19.974 4.099 -5.652
6 1HB GLU 1 1HB GLU 1 -17.474 4.571 -5.784
7 2HB GLU 1 2HB GLU 1 -18.550 5.859 -6.308
8 1HG GLU 1 1HG GLU 1 -17.584 7.247 -4.892
9 2HG GLU 1 2HG GLU 1 -18.072 6.222 -3.544
10 H VAL 2 H VAL 2 -20.225 2.153 -4.711
11 HA VAL 2 HA VAL 2 -18.758 1.490 -2.287
12 HB VAL 2 HB VAL 2 -20.612 -0.292 -3.865
13 1HG1 VAL 2 1HG1 VAL 2 -19.664 -0.395 -1.003
14 2HG1 VAL 2 2HG1 VAL 2 -20.827 -1.497 -1.742
15 3HG1 VAL 2 3HG1 VAL 2 -19.157 -1.467 -2.308
16 1HG2 VAL 2 1HG2 VAL 2 -21.169 1.922 -1.986
17 2HG2 VAL 2 2HG2 VAL 2 -22.142 1.284 -3.311
18 3HG2 VAL 2 3HG2 VAL 2 -22.101 0.441 -1.763
19 H ALA 3 H ALA 3 -19.078 0.221 -5.600
20 HA ALA 3 HA ALA 3 -17.177 -1.804 -5.424
21 1HB ALA 3 1HB ALA 3 -18.778 -1.505 -7.291
22 2HB ALA 3 2HB ALA 3 -17.799 -0.157 -7.871
23 3HB ALA 3 3HB ALA 3 -17.123 -1.785 -7.831
24 H GLN 4 H GLN 4 -16.782 1.636 -6.024
25 HA GLN 4 HA GLN 4 -14.152 1.661 -6.941
26 1HB GLN 4 1HB GLN 4 -15.768 3.649 -5.364
27 2HB GLN 4 2HB GLN 4 -14.102 3.980 -5.817
28 1HG GLN 4 1HG GLN 4 -15.152 3.204 -8.195
29 2HG GLN 4 2HG GLN 4 -16.538 3.989 -7.440
30 1HE2 GLN 4 2HE2 GLN 4 -13.714 4.441 -9.180
31 2HE2 GLN 4 1HE2 GLN 4 -13.581 6.157 -9.022
32 H LEU 5 H LEU 5 -15.423 1.238 -3.720
33 HA LEU 5 HA LEU 5 -12.785 1.486 -2.511
34 1HB LEU 5 1HB LEU 5 -15.414 0.759 -1.219
35 2HB LEU 5 2HB LEU 5 -13.928 1.188 -0.391
36 HG LEU 5 HG LEU 5 -15.243 3.134 -2.257
37 1HD1 LEU 5 1HD1 LEU 5 -16.037 2.434 0.542
38 2HD1 LEU 5 2HD1 LEU 5 -16.232 4.077 -0.069
39 3HD1 LEU 5 3HD1 LEU 5 -17.054 2.737 -0.866
40 1HD2 LEU 5 1HD2 LEU 5 -12.865 3.232 -1.029
41 2HD2 LEU 5 2HD2 LEU 5 -13.841 4.664 -1.357
42 3HD2 LEU 5 3HD2 LEU 5 -13.876 3.920 0.241
43 H GLU 6 H GLU 6 -15.220 -0.974 -3.188
44 HA GLU 6 HA GLU 6 -14.044 -3.114 -1.825
45 1HB GLU 6 1HB GLU 6 -15.767 -3.060 -4.304
46 2HB GLU 6 2HB GLU 6 -15.305 -4.543 -3.479
47 1HG GLU 6 1HG GLU 6 -16.374 -2.753 -1.552
48 2HG GLU 6 2HG GLU 6 -17.474 -2.810 -2.929
49 H LYS 7 H LYS 7 -13.308 -1.664 -4.910
50 HA LYS 7 HA LYS 7 -11.493 -3.823 -5.633
51 1HB LYS 7 1HB LYS 7 -11.824 -1.243 -7.143
52 2HB LYS 7 2HB LYS 7 -11.311 -2.809 -7.753
53 1HG LYS 7 1HG LYS 7 -13.925 -3.081 -6.661
54 2HG LYS 7 2HG LYS 7 -13.904 -1.685 -7.740
55 1HD LYS 7 1HD LYS 7 -12.716 -4.317 -8.562
56 2HD LYS 7 2HD LYS 7 -14.441 -3.989 -8.745
57 1HE LYS 7 1HE LYS 7 -13.639 -1.821 -9.927
58 2HE LYS 7 2HE LYS 7 -12.109 -2.682 -10.091
59 1HZ LYS 7 1HZ LYS 7 -14.743 -3.632 -11.083
60 2HZ LYS 7 2HZ LYS 7 -13.504 -2.985 -12.036
61 3HZ LYS 7 3HZ LYS 7 -13.277 -4.461 -11.239
62 H GLU 8 H GLU 8 -11.417 -0.617 -4.292
63 HA GLU 8 HA GLU 8 -8.758 0.063 -4.814
64 1HB GLU 8 1HB GLU 8 -10.659 1.468 -3.792
65 2HB GLU 8 2HB GLU 8 -10.131 0.805 -2.252
66 1HG GLU 8 1HG GLU 8 -7.971 1.785 -2.492
67 2HG GLU 8 2HG GLU 8 -8.316 2.266 -4.152
68 H VAL 9 H VAL 9 -10.124 -2.203 -2.577
69 HA VAL 9 HA VAL 9 -7.847 -2.359 -0.845
70 HB VAL 9 HB VAL 9 -10.151 -4.277 -1.241
71 1HG1 VAL 9 1HG1 VAL 9 -7.673 -4.665 0.123
72 2HG1 VAL 9 2HG1 VAL 9 -8.973 -4.581 1.311
73 3HG1 VAL 9 3HG1 VAL 9 -9.051 -5.757 -0.001
74 1HG2 VAL 9 1HG2 VAL 9 -9.604 -2.207 0.882
75 2HG2 VAL 9 2HG2 VAL 9 -10.840 -2.119 -0.372
76 3HG2 VAL 9 3HG2 VAL 9 -10.951 -3.345 0.891
77 H ALA 10 H ALA 10 -9.195 -4.685 -3.203
78 HA ALA 10 HA ALA 10 -7.073 -6.466 -3.227
79 1HB ALA 10 1HB ALA 10 -9.265 -5.797 -5.094
80 2HB ALA 10 2HB ALA 10 -7.904 -6.697 -5.764
81 3HB ALA 10 3HB ALA 10 -8.803 -7.348 -4.393
82 H GLN 11 H GLN 11 -7.321 -3.314 -4.632
83 HA GLN 11 HA GLN 11 -5.206 -3.587 -6.523
84 1HB GLN 11 1HB GLN 11 -6.952 -1.865 -6.733
85 2HB GLN 11 2HB GLN 11 -6.373 -1.099 -5.261
86 1HG GLN 11 1HG GLN 11 -4.798 0.012 -6.357
87 2HG GLN 11 2HG GLN 11 -4.241 -1.446 -7.177
88 1HE2 GLN 11 2HE2 GLN 11 -5.287 -2.067 -9.134
89 2HE2 GLN 11 1HE2 GLN 11 -6.071 -0.884 -10.120
90 H LEU 12 H LEU 12 -5.428 -2.324 -3.213
91 HA LEU 12 HA LEU 12 -2.586 -1.743 -3.160
92 1HB LEU 12 1HB LEU 12 -4.556 -1.612 -0.881
93 2HB LEU 12 2HB LEU 12 -2.967 -0.876 -0.949
94 HG LEU 12 HG LEU 12 -5.185 -0.102 -2.832
95 1HD1 LEU 12 1HD1 LEU 12 -4.458 1.111 -0.171
96 2HD1 LEU 12 2HD1 LEU 12 -5.520 1.857 -1.365
97 3HD1 LEU 12 3HD1 LEU 12 -5.983 0.337 -0.600
98 1HD2 LEU 12 1HD2 LEU 12 -2.520 1.069 -2.084
99 2HD2 LEU 12 2HD2 LEU 12 -3.090 0.569 -3.676
100 3HD2 LEU 12 3HD2 LEU 12 -3.771 2.001 -2.905
101 H GLU 13 H GLU 13 -4.833 -3.990 -1.576
102 HA GLU 13 HA GLU 13 -3.116 -5.274 0.146
103 1HB GLU 13 1HB GLU 13 -5.623 -5.965 -1.221
104 2HB GLU 13 2HB GLU 13 -4.658 -7.355 -0.740
105 1HG GLU 13 1HG GLU 13 -4.576 -6.416 1.562
106 2HG GLU 13 2HG GLU 13 -5.700 -5.163 1.036
107 H ALA 14 H ALA 14 -3.226 -5.471 -3.317
108 HA ALA 14 HA ALA 14 -1.562 -7.845 -3.425
109 1HB ALA 14 1HB ALA 14 -3.355 -7.413 -5.095
110 2HB ALA 14 2HB ALA 14 -2.410 -6.048 -5.692
111 3HB ALA 14 3HB ALA 14 -1.766 -7.687 -5.809
112 H GLU 15 H GLU 15 -1.242 -4.367 -3.825
113 HA GLU 15 HA GLU 15 1.531 -4.590 -4.658
114 1HB GLU 15 1HB GLU 15 -0.245 -2.818 -5.412
115 2HB GLU 15 2HB GLU 15 0.215 -2.001 -3.925
116 1HG GLU 15 1HG GLU 15 1.752 -1.017 -5.213
117 2HG GLU 15 2HG GLU 15 2.647 -2.520 -4.987
118 H ASN 16 H ASN 16 -0.217 -3.021 -1.973
119 HA ASN 16 HA ASN 16 1.896 -2.200 -0.435
120 1HB ASN 16 1HB ASN 16 -0.415 -1.674 0.118
121 2HB ASN 16 2HB ASN 16 -0.739 -3.362 0.497
122 1HD2 ASN 16 2HD2 ASN 16 -1.441 -2.612 2.553
123 2HD2 ASN 16 1HD2 ASN 16 -0.292 -2.248 3.791
124 H TYR 17 H TYR 17 0.412 -5.423 -0.482
125 HA TYR 17 HA TYR 17 2.010 -6.516 1.580
126 1HB TYR 17 1HB TYR 17 -0.056 -7.599 0.981
127 2HB TYR 17 2HB TYR 17 0.484 -7.823 -0.678
128 HD1 TYR 17 HD1 TYR 17 2.430 -9.396 -1.105
129 HD2 TYR 17 HD2 TYR 17 0.392 -9.219 2.626
130 HE1 TYR 17 HE1 TYR 17 3.323 -11.610 -0.519
131 HE2 TYR 17 HE2 TYR 17 1.282 -11.432 3.223
132 HH TYR 17 HH TYR 17 2.302 -13.576 1.332
133 H GLN 18 H GLN 18 2.391 -6.342 -1.920
134 HA GLN 18 HA GLN 18 4.669 -8.039 -2.043
135 1HB GLN 18 1HB GLN 18 3.056 -7.332 -3.936
136 2HB GLN 18 2HB GLN 18 4.056 -5.890 -4.054
137 1HG GLN 18 1HG GLN 18 5.816 -7.010 -4.940
138 2HG GLN 18 2HG GLN 18 5.443 -8.502 -4.079
139 1HE2 GLN 18 2HE2 GLN 18 6.045 -9.215 -6.361
140 2HE2 GLN 18 1HE2 GLN 18 4.731 -9.411 -7.464
141 H LEU 19 H LEU 19 4.210 -4.650 -1.392
142 HA LEU 19 HA LEU 19 7.044 -4.069 -1.703
143 1HB LEU 19 1HB LEU 19 4.701 -2.344 -0.927
144 2HB LEU 19 2HB LEU 19 6.351 -1.760 -1.027
145 HG LEU 19 HG LEU 19 4.684 -2.822 -3.308
146 1HD1 LEU 19 1HD1 LEU 19 5.062 -0.204 -2.177
147 2HD1 LEU 19 2HD1 LEU 19 5.647 -0.254 -3.838
148 3HD1 LEU 19 3HD1 LEU 19 3.987 -0.722 -3.475
149 1HD2 LEU 19 1HD2 LEU 19 7.570 -1.983 -3.173
150 2HD2 LEU 19 2HD2 LEU 19 6.904 -3.514 -3.740
151 3HD2 LEU 19 3HD2 LEU 19 6.656 -2.043 -4.679
152 H GLU 20 H GLU 20 4.594 -4.062 0.875
153 HA GLU 20 HA GLU 20 6.162 -3.226 2.989
154 1HB GLU 20 1HB GLU 20 3.644 -3.788 2.906
155 2HB GLU 20 2HB GLU 20 4.138 -5.427 3.311
156 1HG GLU 20 1HG GLU 20 5.473 -4.058 5.200
157 2HG GLU 20 2HG GLU 20 4.084 -2.995 4.969
158 H GLN 21 H GLN 21 6.211 -6.256 1.311
159 HA GLN 21 HA GLN 21 7.883 -7.488 3.369
160 1HB GLN 21 1HB GLN 21 5.908 -8.601 1.990
161 2HB GLN 21 2HB GLN 21 7.197 -8.891 0.831
162 1HG GLN 21 1HG GLN 21 7.449 -9.681 3.712
163 2HG GLN 21 2HG GLN 21 6.689 -10.727 2.513
164 1HE2 GLN 21 2HE2 GLN 21 8.131 -10.720 0.384
165 2HE2 GLN 21 1HE2 GLN 21 9.784 -11.136 0.673
166 H GLU 22 H GLU 22 8.065 -6.053 0.213
167 HA GLU 22 HA GLU 22 10.737 -7.090 -0.277
168 1HB GLU 22 1HB GLU 22 8.889 -6.680 -2.048
169 2HB GLU 22 2HB GLU 22 9.377 -4.994 -1.944
170 1HG GLU 22 1HG GLU 22 11.422 -7.113 -2.426
171 2HG GLU 22 2HG GLU 22 10.411 -6.537 -3.751
172 H VAL 23 H VAL 23 9.248 -4.313 1.093
173 HA VAL 23 HA VAL 23 11.606 -2.639 0.771
174 HB VAL 23 HB VAL 23 9.106 -2.024 2.347
175 1HG1 VAL 23 1HG1 VAL 23 11.562 -0.692 2.125
176 2HG1 VAL 23 2HG1 VAL 23 10.424 0.224 1.137
177 3HG1 VAL 23 3HG1 VAL 23 10.068 -0.083 2.837
178 1HG2 VAL 23 1HG2 VAL 23 9.193 -2.476 -0.370
179 2HG2 VAL 23 2HG2 VAL 23 7.978 -1.523 0.482
180 3HG2 VAL 23 3HG2 VAL 23 9.371 -0.727 -0.248
181 H ALA 24 H ALA 24 10.019 -4.594 3.189
182 HA ALA 24 HA ALA 24 11.189 -3.629 5.517
183 1HB ALA 24 1HB ALA 24 9.437 -5.571 5.023
184 2HB ALA 24 2HB ALA 24 10.875 -6.564 5.260
185 3HB ALA 24 3HB ALA 24 10.338 -5.474 6.537
186 H GLN 25 H GLN 25 12.537 -5.575 2.965
187 HA GLN 25 HA GLN 25 14.901 -6.262 4.504
188 1HB GLN 25 1HB GLN 25 14.296 -6.739 1.580
189 2HB GLN 25 2HB GLN 25 15.623 -7.445 2.493
190 1HG GLN 25 1HG GLN 25 14.294 -8.961 3.524
191 2HG GLN 25 2HG GLN 25 12.893 -7.894 3.533
192 1HE2 GLN 25 2HE2 GLN 25 12.459 -7.280 0.994
193 2HE2 GLN 25 1HE2 GLN 25 12.154 -8.690 0.042
194 H LEU 26 H LEU 26 13.989 -4.135 1.832
195 HA LEU 26 HA LEU 26 16.545 -3.237 1.138
196 1HB LEU 26 1HB LEU 26 13.942 -1.713 1.031
197 2HB LEU 26 2HB LEU 26 15.405 -1.300 0.161
198 HG LEU 26 HG LEU 26 14.095 -3.960 -0.264
199 1HD1 LEU 26 1HD1 LEU 26 12.667 -1.685 -0.622
200 2HD1 LEU 26 2HD1 LEU 26 13.454 -1.843 -2.193
201 3HD1 LEU 26 3HD1 LEU 26 12.456 -3.157 -1.570
202 1HD2 LEU 26 1HD2 LEU 26 15.965 -2.193 -1.814
203 2HD2 LEU 26 2HD2 LEU 26 16.236 -3.834 -1.227
204 3HD2 LEU 26 3HD2 LEU 26 15.111 -3.545 -2.554
205 H GLU 27 H GLU 27 14.143 -1.506 3.138
206 HA GLU 27 HA GLU 27 16.274 0.131 4.256
207 1HB GLU 27 1HB GLU 27 14.391 1.335 5.380
208 2HB GLU 27 2HB GLU 27 14.296 1.326 3.624
209 1HG GLU 27 1HG GLU 27 12.320 0.327 3.656
210 2HG GLU 27 2HG GLU 27 12.898 -0.931 4.747
211 H HIS 28 H HIS 28 16.942 -2.185 5.131
212 HA HIS 28 HA HIS 28 15.629 -3.261 7.363
213 1HB HIS 28 1HB HIS 28 17.430 -4.398 6.055
214 2HB HIS 28 2HB HIS 28 18.602 -3.321 6.807
215 HD1 HIS 28 HD1 HIS 28 16.269 -6.172 7.662
216 HD2 HIS 28 HD2 HIS 28 19.394 -4.005 9.332
217 HE1 HIS 28 HE1 HIS 28 16.928 -7.393 9.776
218 H GLU 29 H GLU 29 18.355 -0.977 7.189
219 HA GLU 29 HA GLU 29 18.454 -0.590 10.018
220 1HB GLU 29 1HB GLU 29 20.298 -0.220 8.198
221 2HB GLU 29 2HB GLU 29 19.580 1.379 8.061
222 1HG GLU 29 1HG GLU 29 21.427 1.499 9.564
223 2HG GLU 29 2HG GLU 29 19.941 1.694 10.491
224 H GLY 30 H GLY 30 17.723 1.766 7.435
225 1HA GLY 30 1HA GLY 30 15.279 2.659 8.046
226 2HA GLY 30 2HA GLY 30 16.228 3.377 9.339
227 1HN NH2 31 1HN NH2 31 17.956 4.827 8.740
228 2HN NH2 31 2HN NH2 31 17.837 5.743 7.280
229 1H ACE 0 1H ACE 0 -20.692 -2.539 6.290
230 2H ACE 0 2H ACE 0 -19.297 -1.494 6.560
231 3H ACE 0 3H ACE 0 -19.111 -3.247 6.621
232 H GLU 1 H GLU 1 -20.867 -1.234 4.283
233 HA GLU 1 HA GLU 1 -19.489 -2.595 2.116
234 1HB GLU 1 1HB GLU 1 -21.789 -0.637 2.105
235 2HB GLU 1 2HB GLU 1 -21.131 -1.408 0.668
236 1HG GLU 1 1HG GLU 1 -22.218 -2.972 2.987
237 2HG GLU 1 2HG GLU 1 -23.227 -2.421 1.652
238 H VAL 2 H VAL 2 -20.426 0.807 2.585
239 HA VAL 2 HA VAL 2 -18.131 1.667 1.032
240 HB VAL 2 HB VAL 2 -20.179 3.417 2.380
241 1HG1 VAL 2 1HG1 VAL 2 -18.072 4.470 1.584
242 2HG1 VAL 2 2HG1 VAL 2 -18.466 3.926 -0.047
243 3HG1 VAL 2 3HG1 VAL 2 -19.518 5.076 0.778
244 1HG2 VAL 2 1HG2 VAL 2 -20.311 1.884 -0.180
245 2HG2 VAL 2 2HG2 VAL 2 -21.557 2.138 1.041
246 3HG2 VAL 2 3HG2 VAL 2 -21.116 3.448 -0.052
247 H GLN 3 H GLN 3 -19.000 1.393 4.348
248 HA GLN 3 HA GLN 3 -16.915 3.236 5.195
249 1HB GLN 3 1HB GLN 3 -19.092 1.750 6.632
250 2HB GLN 3 2HB GLN 3 -17.755 2.461 7.526
251 1HG GLN 3 1HG GLN 3 -18.648 4.484 7.403
252 2HG GLN 3 2HG GLN 3 -18.864 4.353 5.659
253 1HE2 GLN 3 2HE2 GLN 3 -20.878 4.796 5.149
254 2HE2 GLN 3 1HE2 GLN 3 -22.287 4.260 5.992
255 H ALA 4 H ALA 4 -17.785 -0.095 6.132
256 HA ALA 4 HA ALA 4 -15.421 -0.733 7.410
257 1HB ALA 4 1HB ALA 4 -17.559 -2.035 7.437
258 2HB ALA 4 2HB ALA 4 -17.078 -2.719 5.885
259 3HB ALA 4 3HB ALA 4 -16.089 -3.001 7.316
260 H LEU 5 H LEU 5 -15.794 -0.202 4.077
261 HA LEU 5 HA LEU 5 -13.356 -1.751 3.500
262 1HB LEU 5 1HB LEU 5 -15.739 -1.023 1.901
263 2HB LEU 5 2HB LEU 5 -14.207 -1.074 1.061
264 HG LEU 5 HG LEU 5 -14.986 -3.419 2.733
265 1HD1 LEU 5 1HD1 LEU 5 -16.473 -2.445 0.407
266 2HD1 LEU 5 2HD1 LEU 5 -15.932 -4.118 0.276
267 3HD1 LEU 5 3HD1 LEU 5 -16.930 -3.619 1.640
268 1HD2 LEU 5 1HD2 LEU 5 -12.785 -3.316 1.667
269 2HD2 LEU 5 2HD2 LEU 5 -13.764 -4.624 1.006
270 3HD2 LEU 5 3HD2 LEU 5 -13.556 -3.130 0.093
271 H LYS 6 H LYS 6 -15.010 1.280 3.096
272 HA LYS 6 HA LYS 6 -13.145 2.750 1.686
273 1HB LYS 6 1HB LYS 6 -15.371 3.533 2.069
274 2HB LYS 6 2HB LYS 6 -15.124 3.498 3.806
275 1HG LYS 6 1HG LYS 6 -14.177 5.527 3.828
276 2HG LYS 6 2HG LYS 6 -13.246 5.214 2.361
277 1HD LYS 6 1HD LYS 6 -14.735 6.950 1.798
278 2HD LYS 6 2HD LYS 6 -15.434 5.488 1.098
279 1HE LYS 6 1HE LYS 6 -17.285 6.414 2.090
280 2HE LYS 6 2HE LYS 6 -16.704 5.372 3.387
281 1HZ LYS 6 1HZ LYS 6 -15.913 8.216 3.193
282 2HZ LYS 6 2HZ LYS 6 -17.318 7.731 4.001
283 3HZ LYS 6 3HZ LYS 6 -15.807 7.187 4.531
284 H LYS 7 H LYS 7 -13.493 2.303 5.168
285 HA LYS 7 HA LYS 7 -11.178 3.896 5.772
286 1HB LYS 7 1HB LYS 7 -12.726 2.027 7.562
287 2HB LYS 7 2HB LYS 7 -11.616 3.291 8.074
288 1HG LYS 7 1HG LYS 7 -13.181 4.871 7.931
289 2HG LYS 7 2HG LYS 7 -13.752 4.285 6.367
290 1HD LYS 7 1HD LYS 7 -15.597 3.922 7.710
291 2HD LYS 7 2HD LYS 7 -14.788 2.354 7.778
292 1HE LYS 7 1HE LYS 7 -15.226 2.724 10.003
293 2HE LYS 7 2HE LYS 7 -13.598 3.384 9.860
294 1HZ LYS 7 1HZ LYS 7 -14.601 5.596 9.589
295 2HZ LYS 7 2HZ LYS 7 -16.134 4.929 9.844
296 3HZ LYS 7 3HZ LYS 7 -14.983 4.898 11.082
297 H ARG 8 H ARG 8 -11.884 0.477 5.381
298 HA ARG 8 HA ARG 8 -9.490 -0.465 6.578
299 1HB ARG 8 1HB ARG 8 -10.186 -2.577 6.021
300 2HB ARG 8 2HB ARG 8 -11.717 -1.719 5.985
301 1HG ARG 8 1HG ARG 8 -11.613 -1.579 3.565
302 2HG ARG 8 2HG ARG 8 -10.032 -2.363 3.572
303 1HD ARG 8 1HD ARG 8 -11.751 -4.021 5.058
304 2HD ARG 8 2HD ARG 8 -12.645 -3.545 3.618
305 HE ARG 8 HE ARG 8 -11.188 -4.770 2.329
306 1HH1 ARG 8 1HH1 ARG 8 -9.922 -4.497 5.572
307 2HH1 ARG 8 2HH1 ARG 8 -8.693 -5.690 5.326
308 1HH2 ARG 8 1HH2 ARG 8 -9.573 -6.345 2.009
309 2HH2 ARG 8 2HH2 ARG 8 -8.494 -6.739 3.306
310 H VAL 9 H VAL 9 -10.269 0.675 3.372
311 HA VAL 9 HA VAL 9 -8.018 -0.418 2.038
312 HB VAL 9 HB VAL 9 -9.614 2.063 1.360
313 1HG1 VAL 9 1HG1 VAL 9 -7.209 1.580 0.336
314 2HG1 VAL 9 2HG1 VAL 9 -8.149 0.514 -0.705
315 3HG1 VAL 9 3HG1 VAL 9 -8.526 2.234 -0.634
316 1HG2 VAL 9 1HG2 VAL 9 -10.489 -0.530 1.408
317 2HG2 VAL 9 2HG2 VAL 9 -11.167 0.757 0.411
318 3HG2 VAL 9 3HG2 VAL 9 -9.966 -0.341 -0.266
319 H GLN 10 H GLN 10 -8.565 2.528 3.868
320 HA GLN 10 HA GLN 10 -6.254 3.933 3.167
321 1HB GLN 10 1HB GLN 10 -7.559 3.964 5.888
322 2HB GLN 10 2HB GLN 10 -6.616 5.246 5.142
323 1HG GLN 10 1HG GLN 10 -8.431 5.261 3.333
324 2HG GLN 10 2HG GLN 10 -9.389 4.331 4.485
325 1HE2 GLN 10 2HE2 GLN 10 -10.734 6.333 4.128
326 2HE2 GLN 10 1HE2 GLN 10 -10.471 7.650 5.215
327 H ALA 11 H ALA 11 -6.621 1.085 5.047
328 HA ALA 11 HA ALA 11 -4.124 1.431 6.479
329 1HB ALA 11 1HB ALA 11 -6.357 -0.504 6.539
330 2HB ALA 11 2HB ALA 11 -4.769 -1.103 7.017
331 3HB ALA 11 3HB ALA 11 -5.485 0.270 7.863
332 H LEU 12 H LEU 12 -4.571 0.915 3.369
333 HA LEU 12 HA LEU 12 -2.455 -1.127 3.189
334 1HB LEU 12 1HB LEU 12 -4.193 -0.590 0.841
335 2HB LEU 12 2HB LEU 12 -3.403 -2.073 1.325
336 HG LEU 12 HG LEU 12 -5.707 -1.032 2.932
337 1HD1 LEU 12 1HD1 LEU 12 -5.854 -2.532 0.328
338 2HD1 LEU 12 2HD1 LEU 12 -7.168 -2.487 1.503
339 3HD1 LEU 12 3HD1 LEU 12 -6.617 -0.996 0.740
340 1HD2 LEU 12 1HD2 LEU 12 -4.393 -2.891 3.813
341 2HD2 LEU 12 2HD2 LEU 12 -6.023 -3.411 3.388
342 3HD2 LEU 12 3HD2 LEU 12 -4.668 -3.799 2.328
343 H LYS 13 H LYS 13 -3.834 1.743 1.629
344 HA LYS 13 HA LYS 13 -1.444 2.188 0.071
345 1HB LYS 13 1HB LYS 13 -2.643 4.201 -0.734
346 2HB LYS 13 2HB LYS 13 -3.560 2.718 -0.946
347 1HG LYS 13 1HG LYS 13 -5.252 3.815 -0.007
348 2HG LYS 13 2HG LYS 13 -4.393 3.594 1.518
349 1HD LYS 13 1HD LYS 13 -4.262 5.804 1.703
350 2HD LYS 13 2HD LYS 13 -3.207 5.809 0.289
351 1HE LYS 13 1HE LYS 13 -6.007 5.585 -0.436
352 2HE LYS 13 2HE LYS 13 -5.683 7.036 0.509
353 1HZ LYS 13 1HZ LYS 13 -3.683 7.200 -1.170
354 2HZ LYS 13 2HZ LYS 13 -4.722 6.296 -2.151
355 3HZ LYS 13 3HZ LYS 13 -5.214 7.804 -1.560
356 H ALA 14 H ALA 14 -2.816 3.360 3.054
357 HA ALA 14 HA ALA 14 -1.549 5.787 3.381
358 1HB ALA 14 1HB ALA 14 -2.259 3.660 5.378
359 2HB ALA 14 2HB ALA 14 -1.559 5.206 5.858
360 3HB ALA 14 3HB ALA 14 -3.110 5.162 5.019
361 H ARG 15 H ARG 15 -0.276 2.573 4.222
362 HA ARG 15 HA ARG 15 2.326 3.713 4.833
363 1HB ARG 15 1HB ARG 15 1.450 1.930 6.262
364 2HB ARG 15 2HB ARG 15 1.357 0.848 4.879
365 1HG ARG 15 1HG ARG 15 3.299 0.275 6.121
366 2HG ARG 15 2HG ARG 15 3.830 1.067 4.636
367 1HD ARG 15 1HD ARG 15 5.157 2.043 6.283
368 2HD ARG 15 2HD ARG 15 3.866 3.218 6.037
369 HE ARG 15 HE ARG 15 3.216 1.399 8.119
370 1HH1 ARG 15 1HH1 ARG 15 5.169 4.201 7.405
371 2HH1 ARG 15 2HH1 ARG 15 5.195 4.755 9.044
372 1HH2 ARG 15 1HH2 ARG 15 3.249 2.128 10.276
373 2HH2 ARG 15 2HH2 ARG 15 4.106 3.579 10.675
374 H ASN 16 H ASN 16 0.899 1.473 2.479
375 HA ASN 16 HA ASN 16 3.201 0.806 1.075
376 1HB ASN 16 1HB ASN 16 1.127 -0.368 0.693
377 2HB ASN 16 2HB ASN 16 0.354 1.094 0.098
378 1HD2 ASN 16 2HD2 ASN 16 -0.046 0.751 -1.971
379 2HD2 ASN 16 1HD2 ASN 16 1.096 0.188 -3.141
380 H TYR 17 H TYR 17 1.111 3.633 0.769
381 HA TYR 17 HA TYR 17 2.050 4.683 -1.616
382 1HB TYR 17 1HB TYR 17 0.142 5.635 -0.428
383 2HB TYR 17 2HB TYR 17 1.195 6.172 0.875
384 HD1 TYR 17 HD1 TYR 17 1.212 6.457 -2.859
385 HD2 TYR 17 HD2 TYR 17 1.531 8.446 0.888
386 HE1 TYR 17 HE1 TYR 17 1.559 8.591 -4.029
387 HE2 TYR 17 HE2 TYR 17 1.878 10.587 -0.271
388 HH TYR 17 HH TYR 17 2.792 11.274 -2.634
389 H ALA 18 H ALA 18 3.401 5.010 1.640
390 HA ALA 18 HA ALA 18 5.474 6.803 0.896
391 1HB ALA 18 1HB ALA 18 4.877 5.134 3.290
392 2HB ALA 18 2HB ALA 18 6.496 5.807 3.107
393 3HB ALA 18 3HB ALA 18 5.096 6.879 3.156
394 H LEU 19 H LEU 19 5.405 3.280 1.410
395 HA LEU 19 HA LEU 19 8.126 2.846 0.826
396 1HB LEU 19 1HB LEU 19 6.155 0.752 0.076
397 2HB LEU 19 2HB LEU 19 7.685 0.599 0.911
398 HG LEU 19 HG LEU 19 5.064 1.503 2.091
399 1HD1 LEU 19 1HD1 LEU 19 6.667 -0.988 2.146
400 2HD1 LEU 19 2HD1 LEU 19 5.839 -0.508 3.628
401 3HD1 LEU 19 3HD1 LEU 19 4.918 -0.763 2.146
402 1HD2 LEU 19 1HD2 LEU 19 7.331 2.626 2.860
403 2HD2 LEU 19 2HD2 LEU 19 6.094 2.150 4.022
404 3HD2 LEU 19 3HD2 LEU 19 7.496 1.114 3.752
405 H LYS 20 H LYS 20 5.263 2.295 -1.221
406 HA LYS 20 HA LYS 20 6.339 1.593 -3.593
407 1HB LYS 20 1HB LYS 20 3.879 2.310 -2.837
408 2HB LYS 20 2HB LYS 20 4.306 3.754 -3.744
409 1HG LYS 20 1HG LYS 20 4.679 2.474 -5.733
410 2HG LYS 20 2HG LYS 20 4.470 0.961 -4.850
411 1HD LYS 20 1HD LYS 20 2.138 1.653 -4.330
412 2HD LYS 20 2HD LYS 20 2.372 3.066 -5.363
413 1HE LYS 20 1HE LYS 20 3.082 0.497 -6.598
414 2HE LYS 20 2HE LYS 20 1.375 0.678 -6.200
415 1HZ LYS 20 1HZ LYS 20 1.864 3.028 -7.343
416 2HZ LYS 20 2HZ LYS 20 2.970 2.067 -8.188
417 3HZ LYS 20 3HZ LYS 20 1.326 1.672 -8.201
418 H GLN 21 H GLN 21 6.477 4.770 -2.153
419 HA GLN 21 HA GLN 21 7.528 6.014 -4.533
420 1HB GLN 21 1HB GLN 21 6.086 7.275 -3.011
421 2HB GLN 21 2HB GLN 21 7.262 7.075 -1.720
422 1HG GLN 21 1HG GLN 21 8.387 8.250 -4.137
423 2HG GLN 21 2HG GLN 21 7.092 9.210 -3.421
424 1HE2 GLN 21 2HE2 GLN 21 7.301 9.339 -0.938
425 2HE2 GLN 21 1HE2 GLN 21 8.876 9.737 -0.350
426 H LYS 22 H LYS 22 8.801 5.043 -1.363
427 HA LYS 22 HA LYS 22 11.471 5.890 -2.126
428 1HB LYS 22 1HB LYS 22 12.085 5.210 0.178
429 2HB LYS 22 2HB LYS 22 10.790 6.397 0.116
430 1HG LYS 22 1HG LYS 22 9.598 5.073 1.427
431 2HG LYS 22 2HG LYS 22 9.518 3.914 0.099
432 1HD LYS 22 1HD LYS 22 10.472 2.550 1.636
433 2HD LYS 22 2HD LYS 22 11.949 3.317 1.050
434 1HE LYS 22 1HE LYS 22 10.400 3.892 3.557
435 2HE LYS 22 2HE LYS 22 12.092 3.424 3.391
436 1HZ LYS 22 1HZ LYS 22 12.291 5.640 2.123
437 2HZ LYS 22 2HZ LYS 22 10.841 6.045 2.897
438 3HZ LYS 22 3HZ LYS 22 12.213 5.674 3.812
439 H VAL 23 H VAL 23 9.730 3.088 -2.666
440 HA VAL 23 HA VAL 23 11.300 0.968 -1.956
441 HB VAL 23 HB VAL 23 10.138 1.210 -4.731
442 1HG1 VAL 23 1HG1 VAL 23 11.030 -1.048 -2.987
443 2HG1 VAL 23 2HG1 VAL 23 9.764 -1.309 -4.187
444 3HG1 VAL 23 3HG1 VAL 23 11.359 -0.752 -4.694
445 1HG2 VAL 23 1HG2 VAL 23 8.820 0.808 -2.090
446 2HG2 VAL 23 2HG2 VAL 23 8.270 1.706 -3.503
447 3HG2 VAL 23 3HG2 VAL 23 8.196 -0.055 -3.497
448 H GLN 24 H GLN 24 11.632 2.590 -5.121
449 HA GLN 24 HA GLN 24 14.065 1.371 -5.791
450 1HB GLN 24 1HB GLN 24 13.273 4.111 -6.747
451 2HB GLN 24 2HB GLN 24 14.183 2.874 -7.604
452 1HG GLN 24 1HG GLN 24 11.774 1.645 -7.082
453 2HG GLN 24 2HG GLN 24 11.319 3.308 -7.445
454 1HE2 GLN 24 2HE2 GLN 24 10.785 0.935 -8.989
455 2HE2 GLN 24 1HE2 GLN 24 11.524 1.168 -10.533
456 H ALA 25 H ALA 25 13.337 4.284 -3.983
457 HA ALA 25 HA ALA 25 15.888 5.439 -3.954
458 1HB ALA 25 1HB ALA 25 13.515 5.612 -2.146
459 2HB ALA 25 2HB ALA 25 15.032 6.386 -1.690
460 3HB ALA 25 3HB ALA 25 14.222 6.846 -3.188
461 H LEU 26 H LEU 26 14.528 2.789 -2.136
462 HA LEU 26 HA LEU 26 16.650 2.722 -0.191
463 1HB LEU 26 1HB LEU 26 14.524 0.683 -0.860
464 2HB LEU 26 2HB LEU 26 15.617 0.588 0.508
465 HG LEU 26 HG LEU 26 13.503 2.692 0.070
466 1HD1 LEU 26 1HD1 LEU 26 13.703 0.313 1.890
467 2HD1 LEU 26 2HD1 LEU 26 12.606 1.659 2.199
468 3HD1 LEU 26 3HD1 LEU 26 12.434 0.702 0.728
469 1HD2 LEU 26 1HD2 LEU 26 15.728 2.440 2.034
470 2HD2 LEU 26 2HD2 LEU 26 15.088 3.875 1.232
471 3HD2 LEU 26 3HD2 LEU 26 14.193 3.131 2.558
472 H ARG 27 H ARG 27 15.616 0.402 -2.703
473 HA ARG 27 HA ARG 27 17.849 -1.240 -2.605
474 1HB ARG 27 1HB ARG 27 17.238 -1.811 -5.007
475 2HB ARG 27 2HB ARG 27 15.980 -2.037 -3.802
476 1HG ARG 27 1HG ARG 27 15.537 0.532 -4.638
477 2HG ARG 27 2HG ARG 27 16.070 -0.269 -6.117
478 1HD ARG 27 1HD ARG 27 14.324 -2.086 -4.988
479 2HD ARG 27 2HD ARG 27 13.572 -0.529 -4.649
480 HE ARG 27 HE ARG 27 14.257 -0.386 -7.283
481 1HH1 ARG 27 1HH1 ARG 27 12.362 -2.599 -5.361
482 2HH1 ARG 27 2HH1 ARG 27 11.309 -3.029 -6.667
483 1HH2 ARG 27 1HH2 ARG 27 12.874 -0.950 -9.002
484 2HH2 ARG 27 2HH2 ARG 27 11.600 -2.092 -8.736
485 H HIS 28 H HIS 28 17.303 1.668 -4.554
486 HA HIS 28 HA HIS 28 19.625 1.537 -6.106
487 1HB HIS 28 1HB HIS 28 17.645 3.108 -6.392
488 2HB HIS 28 2HB HIS 28 18.368 4.101 -5.131
489 HD1 HIS 28 HD1 HIS 28 18.929 2.999 -8.692
490 HD2 HIS 28 HD2 HIS 28 20.526 5.624 -5.897
491 HE1 HIS 28 HE1 HIS 28 20.545 4.480 -9.953
492 H LYS 29 H LYS 29 19.059 3.308 -3.064
493 HA LYS 29 HA LYS 29 21.799 4.088 -2.817
494 1HB LYS 29 1HB LYS 29 19.337 4.716 -1.540
495 2HB LYS 29 2HB LYS 29 20.457 4.188 -0.293
496 1HG LYS 29 1HG LYS 29 21.190 6.288 -0.292
497 2HG LYS 29 2HG LYS 29 22.000 5.878 -1.805
498 1HD LYS 29 1HD LYS 29 19.188 6.952 -1.646
499 2HD LYS 29 2HD LYS 29 20.613 7.965 -1.883
500 1HE LYS 29 1HE LYS 29 20.332 7.624 -4.068
501 2HE LYS 29 2HE LYS 29 20.905 5.981 -3.782
502 1HZ LYS 29 1HZ LYS 29 18.060 6.826 -3.676
503 2HZ LYS 29 2HZ LYS 29 18.791 6.047 -4.988
504 3HZ LYS 29 3HZ LYS 29 18.642 5.248 -3.506
505 H GLY 30 H GLY 30 22.971 2.139 -2.943
506 1HA GLY 30 1HA GLY 30 24.207 0.978 -1.033
507 2HA GLY 30 2HA GLY 30 22.626 0.311 -0.654
508 1HN NH2 31 1HN NH2 31 22.575 -1.746 -1.209
509 2HN NH2 31 2HN NH2 31 23.193 -2.422 -2.674
Start of MODEL 5
1 1H ACE 0 1H ACE 0 -23.319 3.672 -5.240
2 2H ACE 0 2H ACE 0 -23.574 4.263 -6.882
3 3H ACE 0 3H ACE 0 -22.778 5.290 -5.689
4 H GLU 1 H GLU 1 -20.617 4.918 -5.162
5 HA GLU 1 HA GLU 1 -19.124 3.420 -7.162
6 1HB GLU 1 1HB GLU 1 -18.540 5.615 -5.264
7 2HB GLU 1 2HB GLU 1 -17.208 4.524 -5.626
8 1HG GLU 1 1HG GLU 1 -16.989 5.274 -7.738
9 2HG GLU 1 2HG GLU 1 -18.723 5.515 -7.949
10 H VAL 2 H VAL 2 -20.629 2.115 -4.943
11 HA VAL 2 HA VAL 2 -19.216 1.117 -2.866
12 HB VAL 2 HB VAL 2 -20.984 -0.487 -4.714
13 1HG1 VAL 2 1HG1 VAL 2 -19.649 -1.915 -3.234
14 2HG1 VAL 2 2HG1 VAL 2 -20.230 -1.010 -1.838
15 3HG1 VAL 2 3HG1 VAL 2 -21.359 -1.958 -2.805
16 1HG2 VAL 2 1HG2 VAL 2 -21.514 1.504 -2.599
17 2HG2 VAL 2 2HG2 VAL 2 -22.458 1.085 -4.028
18 3HG2 VAL 2 3HG2 VAL 2 -22.530 0.063 -2.593
19 H ALA 3 H ALA 3 -19.194 -0.326 -6.135
20 HA ALA 3 HA ALA 3 -17.333 -2.330 -5.652
21 1HB ALA 3 1HB ALA 3 -18.792 -1.604 -7.791
22 2HB ALA 3 2HB ALA 3 -17.196 -1.058 -8.308
23 3HB ALA 3 3HB ALA 3 -17.451 -2.747 -7.866
24 H GLN 4 H GLN 4 -16.852 1.076 -6.294
25 HA GLN 4 HA GLN 4 -14.051 0.889 -6.810
26 1HB GLN 4 1HB GLN 4 -15.691 3.276 -5.944
27 2HB GLN 4 2HB GLN 4 -14.059 3.332 -6.596
28 1HG GLN 4 1HG GLN 4 -16.556 2.466 -8.030
29 2HG GLN 4 2HG GLN 4 -15.613 3.927 -8.314
30 1HE2 GLN 4 2HE2 GLN 4 -16.347 1.311 -9.824
31 2HE2 GLN 4 1HE2 GLN 4 -14.850 0.869 -10.564
32 H LEU 5 H LEU 5 -15.817 0.500 -3.988
33 HA LEU 5 HA LEU 5 -13.675 1.529 -2.274
34 1HB LEU 5 1HB LEU 5 -16.226 0.323 -1.266
35 2HB LEU 5 2HB LEU 5 -15.185 1.501 -0.492
36 HG LEU 5 HG LEU 5 -16.858 2.097 -2.929
37 1HD1 LEU 5 1HD1 LEU 5 -17.962 1.505 -0.584
38 2HD1 LEU 5 2HD1 LEU 5 -17.557 3.193 -0.272
39 3HD1 LEU 5 3HD1 LEU 5 -18.591 2.771 -1.637
40 1HD2 LEU 5 1HD2 LEU 5 -15.008 3.654 -1.201
41 2HD2 LEU 5 2HD2 LEU 5 -15.268 3.734 -2.943
42 3HD2 LEU 5 3HD2 LEU 5 -16.437 4.463 -1.843
43 H GLU 6 H GLU 6 -15.152 -1.423 -3.373
44 HA GLU 6 HA GLU 6 -13.802 -3.048 -1.387
45 1HB GLU 6 1HB GLU 6 -15.278 -4.041 -3.819
46 2HB GLU 6 2HB GLU 6 -14.958 -4.902 -2.319
47 1HG GLU 6 1HG GLU 6 -16.375 -2.905 -1.309
48 2HG GLU 6 2HG GLU 6 -17.028 -2.879 -2.947
49 H LYS 7 H LYS 7 -13.788 -2.893 -4.954
50 HA LYS 7 HA LYS 7 -11.610 -4.574 -5.366
51 1HB LYS 7 1HB LYS 7 -12.265 -2.193 -7.097
52 2HB LYS 7 2HB LYS 7 -11.504 -3.701 -7.585
53 1HG LYS 7 1HG LYS 7 -13.916 -4.514 -6.520
54 2HG LYS 7 2HG LYS 7 -14.314 -3.018 -7.366
55 1HD LYS 7 1HD LYS 7 -12.874 -5.394 -8.543
56 2HD LYS 7 2HD LYS 7 -14.557 -4.949 -8.837
57 1HE LYS 7 1HE LYS 7 -13.314 -2.636 -9.472
58 2HE LYS 7 2HE LYS 7 -12.071 -3.802 -9.925
59 1HZ LYS 7 1HZ LYS 7 -13.739 -4.952 -11.282
60 2HZ LYS 7 2HZ LYS 7 -14.878 -3.761 -10.894
61 3HZ LYS 7 3HZ LYS 7 -13.502 -3.356 -11.790
62 H GLU 8 H GLU 8 -11.712 -1.227 -4.409
63 HA GLU 8 HA GLU 8 -9.085 -0.496 -5.073
64 1HB GLU 8 1HB GLU 8 -11.001 1.003 -4.321
65 2HB GLU 8 2HB GLU 8 -10.582 0.541 -2.676
66 1HG GLU 8 1HG GLU 8 -8.438 1.538 -2.855
67 2HG GLU 8 2HG GLU 8 -8.620 1.768 -4.592
68 H VAL 9 H VAL 9 -10.336 -2.502 -2.558
69 HA VAL 9 HA VAL 9 -8.107 -2.266 -0.783
70 HB VAL 9 HB VAL 9 -10.255 -4.385 -0.981
71 1HG1 VAL 9 1HG1 VAL 9 -7.827 -4.241 0.648
72 2HG1 VAL 9 2HG1 VAL 9 -9.302 -4.493 1.580
73 3HG1 VAL 9 3HG1 VAL 9 -8.874 -5.615 0.289
74 1HG2 VAL 9 1HG2 VAL 9 -11.065 -2.148 -0.396
75 2HG2 VAL 9 2HG2 VAL 9 -11.214 -3.266 0.959
76 3HG2 VAL 9 3HG2 VAL 9 -9.910 -2.080 0.934
77 H ALA 10 H ALA 10 -9.199 -4.969 -2.850
78 HA ALA 10 HA ALA 10 -6.943 -6.561 -2.599
79 1HB ALA 10 1HB ALA 10 -9.289 -6.822 -3.896
80 2HB ALA 10 2HB ALA 10 -8.208 -6.551 -5.263
81 3HB ALA 10 3HB ALA 10 -7.907 -7.887 -4.151
82 H GLN 11 H GLN 11 -7.413 -3.659 -4.424
83 HA GLN 11 HA GLN 11 -5.312 -3.976 -6.290
84 1HB GLN 11 1HB GLN 11 -7.028 -2.338 -6.690
85 2HB GLN 11 2HB GLN 11 -6.665 -1.513 -5.181
86 1HG GLN 11 1HG GLN 11 -4.358 -1.707 -6.937
87 2HG GLN 11 2HG GLN 11 -5.713 -0.854 -7.675
88 1HE2 GLN 11 2HE2 GLN 11 -6.842 0.545 -5.767
89 2HE2 GLN 11 1HE2 GLN 11 -5.737 1.643 -5.020
90 H LEU 12 H LEU 12 -5.470 -2.225 -3.182
91 HA LEU 12 HA LEU 12 -2.657 -1.641 -3.227
92 1HB LEU 12 1HB LEU 12 -4.611 -1.434 -0.934
93 2HB LEU 12 2HB LEU 12 -3.005 -0.734 -0.988
94 HG LEU 12 HG LEU 12 -5.130 0.035 -2.976
95 1HD1 LEU 12 1HD1 LEU 12 -4.549 1.304 -0.304
96 2HD1 LEU 12 2HD1 LEU 12 -5.578 1.990 -1.559
97 3HD1 LEU 12 3HD1 LEU 12 -6.036 0.481 -0.771
98 1HD2 LEU 12 1HD2 LEU 12 -2.609 1.380 -2.006
99 2HD2 LEU 12 2HD2 LEU 12 -2.840 0.593 -3.568
100 3HD2 LEU 12 3HD2 LEU 12 -3.747 2.052 -3.174
101 H GLU 13 H GLU 13 -4.731 -4.041 -1.707
102 HA GLU 13 HA GLU 13 -2.958 -5.114 0.140
103 1HB GLU 13 1HB GLU 13 -5.340 -6.102 -1.319
104 2HB GLU 13 2HB GLU 13 -4.293 -7.331 -0.622
105 1HG GLU 13 1HG GLU 13 -4.495 -6.215 1.568
106 2HG GLU 13 2HG GLU 13 -5.620 -5.065 0.847
107 H ALA 14 H ALA 14 -2.948 -5.329 -3.310
108 HA ALA 14 HA ALA 14 -1.151 -7.603 -3.376
109 1HB ALA 14 1HB ALA 14 -3.000 -6.848 -5.118
110 2HB ALA 14 2HB ALA 14 -1.639 -5.951 -5.794
111 3HB ALA 14 3HB ALA 14 -1.540 -7.703 -5.619
112 H GLU 15 H GLU 15 -1.020 -4.110 -3.810
113 HA GLU 15 HA GLU 15 1.788 -4.158 -4.513
114 1HB GLU 15 1HB GLU 15 0.064 -2.491 -5.394
115 2HB GLU 15 2HB GLU 15 0.152 -1.724 -3.815
116 1HG GLU 15 1HG GLU 15 2.107 -0.747 -4.264
117 2HG GLU 15 2HG GLU 15 2.760 -2.188 -5.043
118 H ASN 16 H ASN 16 -0.146 -2.796 -1.846
119 HA ASN 16 HA ASN 16 1.932 -1.936 -0.230
120 1HB ASN 16 1HB ASN 16 -0.421 -1.390 0.186
121 2HB ASN 16 2HB ASN 16 -0.747 -3.066 0.610
122 1HD2 ASN 16 2HD2 ASN 16 -1.520 -2.266 2.620
123 2HD2 ASN 16 1HD2 ASN 16 -0.415 -1.851 3.882
124 H TYR 17 H TYR 17 0.845 -5.159 -0.866
125 HA TYR 17 HA TYR 17 2.055 -6.331 1.464
126 1HB TYR 17 1HB TYR 17 0.108 -7.382 0.428
127 2HB TYR 17 2HB TYR 17 1.004 -7.602 -1.072
128 HD1 TYR 17 HD1 TYR 17 1.169 -8.501 2.549
129 HD2 TYR 17 HD2 TYR 17 2.073 -9.622 -1.455
130 HE1 TYR 17 HE1 TYR 17 1.950 -10.693 3.345
131 HE2 TYR 17 HE2 TYR 17 2.856 -11.818 -0.669
132 HH TYR 17 HH TYR 17 3.706 -12.843 1.384
133 H GLN 18 H GLN 18 2.793 -6.426 -2.027
134 HA GLN 18 HA GLN 18 5.171 -7.869 -1.835
135 1HB GLN 18 1HB GLN 18 5.728 -6.850 -4.048
136 2HB GLN 18 2HB GLN 18 4.126 -7.572 -3.971
137 1HG GLN 18 1HG GLN 18 3.073 -5.472 -3.879
138 2HG GLN 18 2HG GLN 18 4.589 -4.640 -3.539
139 1HE2 GLN 18 2HE2 GLN 18 5.104 -3.419 -5.202
140 2HE2 GLN 18 1HE2 GLN 18 5.013 -3.870 -6.867
141 H LEU 19 H LEU 19 4.547 -4.446 -1.390
142 HA LEU 19 HA LEU 19 7.303 -3.679 -1.399
143 1HB LEU 19 1HB LEU 19 4.841 -2.258 -0.396
144 2HB LEU 19 2HB LEU 19 6.436 -1.535 -0.468
145 HG LEU 19 HG LEU 19 4.744 -2.428 -2.799
146 1HD1 LEU 19 1HD1 LEU 19 4.772 -0.049 -1.387
147 2HD1 LEU 19 2HD1 LEU 19 5.777 0.279 -2.797
148 3HD1 LEU 19 3HD1 LEU 19 4.126 -0.302 -3.008
149 1HD2 LEU 19 1HD2 LEU 19 7.635 -1.968 -2.572
150 2HD2 LEU 19 2HD2 LEU 19 6.718 -2.862 -3.783
151 3HD2 LEU 19 3HD2 LEU 19 6.845 -1.107 -3.892
152 H GLU 20 H GLU 20 4.865 -4.049 1.177
153 HA GLU 20 HA GLU 20 6.420 -3.424 3.360
154 1HB GLU 20 1HB GLU 20 3.906 -4.146 3.146
155 2HB GLU 20 2HB GLU 20 4.536 -5.739 3.538
156 1HG GLU 20 1HG GLU 20 5.667 -4.535 5.527
157 2HG GLU 20 2HG GLU 20 4.490 -3.263 5.207
158 H GLN 21 H GLN 21 6.546 -6.263 1.372
159 HA GLN 21 HA GLN 21 8.253 -7.664 3.281
160 1HB GLN 21 1HB GLN 21 6.370 -8.531 1.430
161 2HB GLN 21 2HB GLN 21 7.909 -8.951 0.693
162 1HG GLN 21 1HG GLN 21 6.956 -10.763 2.058
163 2HG GLN 21 2HG GLN 21 8.544 -10.238 2.615
164 1HE2 GLN 21 2HE2 GLN 21 8.483 -10.655 4.728
165 2HE2 GLN 21 1HE2 GLN 21 7.303 -10.043 5.830
166 H GLU 22 H GLU 22 8.451 -5.818 0.351
167 HA GLU 22 HA GLU 22 11.158 -6.712 -0.225
168 1HB GLU 22 1HB GLU 22 9.274 -6.042 -1.927
169 2HB GLU 22 2HB GLU 22 9.851 -4.410 -1.621
170 1HG GLU 22 1HG GLU 22 12.060 -5.002 -2.372
171 2HG GLU 22 2HG GLU 22 11.579 -6.688 -2.558
172 H VAL 23 H VAL 23 9.515 -4.017 1.252
173 HA VAL 23 HA VAL 23 11.811 -2.287 1.264
174 HB VAL 23 HB VAL 23 9.383 -2.012 3.028
175 1HG1 VAL 23 1HG1 VAL 23 11.619 -0.576 3.095
176 2HG1 VAL 23 2HG1 VAL 23 10.794 0.285 1.796
177 3HG1 VAL 23 3HG1 VAL 23 10.032 0.137 3.380
178 1HG2 VAL 23 1HG2 VAL 23 9.438 -2.028 0.179
179 2HG2 VAL 23 2HG2 VAL 23 8.082 -1.699 1.256
180 3HG2 VAL 23 3HG2 VAL 23 9.128 -0.381 0.726
181 H ALA 24 H ALA 24 10.407 -4.663 3.394
182 HA ALA 24 HA ALA 24 11.769 -3.930 5.763
183 1HB ALA 24 1HB ALA 24 9.746 -5.459 5.522
184 2HB ALA 24 2HB ALA 24 10.896 -6.725 5.093
185 3HB ALA 24 3HB ALA 24 10.988 -5.949 6.674
186 H GLN 25 H GLN 25 12.774 -5.591 2.910
187 HA GLN 25 HA GLN 25 15.197 -6.562 4.259
188 1HB GLN 25 1HB GLN 25 14.187 -7.258 1.498
189 2HB GLN 25 2HB GLN 25 15.523 -8.019 2.352
190 1HG GLN 25 1HG GLN 25 13.744 -8.588 4.137
191 2HG GLN 25 2HG GLN 25 12.587 -8.254 2.849
192 1HE2 GLN 25 2HE2 GLN 25 11.888 -10.085 2.030
193 2HE2 GLN 25 1HE2 GLN 25 12.851 -11.469 1.653
194 H LEU 26 H LEU 26 14.054 -4.533 1.618
195 HA LEU 26 HA LEU 26 16.483 -3.983 0.372
196 1HB LEU 26 1HB LEU 26 13.894 -2.524 0.628
197 2HB LEU 26 2HB LEU 26 15.270 -1.677 -0.052
198 HG LEU 26 HG LEU 26 14.061 -4.226 -1.124
199 1HD1 LEU 26 1HD1 LEU 26 12.921 -1.878 -1.387
200 2HD1 LEU 26 2HD1 LEU 26 14.170 -1.649 -2.610
201 3HD1 LEU 26 3HD1 LEU 26 13.032 -2.988 -2.752
202 1HD2 LEU 26 1HD2 LEU 26 16.555 -2.738 -1.752
203 2HD2 LEU 26 2HD2 LEU 26 16.231 -4.471 -1.786
204 3HD2 LEU 26 3HD2 LEU 26 15.643 -3.440 -3.089
205 H GLU 27 H GLU 27 14.910 -2.297 3.076
206 HA GLU 27 HA GLU 27 17.243 -0.592 3.427
207 1HB GLU 27 1HB GLU 27 15.915 0.545 5.130
208 2HB GLU 27 2HB GLU 27 15.003 0.392 3.635
209 1HG GLU 27 1HG GLU 27 13.351 -0.406 4.880
210 2HG GLU 27 2HG GLU 27 14.312 -1.876 5.032
211 H HIS 28 H HIS 28 17.940 -3.207 3.824
212 HA HIS 28 HA HIS 28 17.869 -3.745 6.682
213 1HB HIS 28 1HB HIS 28 17.563 -5.585 5.035
214 2HB HIS 28 2HB HIS 28 19.209 -5.317 4.472
215 HD1 HIS 28 HD1 HIS 28 17.279 -7.089 7.056
216 HD2 HIS 28 HD2 HIS 28 21.219 -5.930 6.429
217 HE1 HIS 28 HE1 HIS 28 18.681 -8.433 8.676
218 H GLU 29 H GLU 29 20.229 -2.976 4.160
219 HA GLU 29 HA GLU 29 22.473 -3.035 5.926
220 1HB GLU 29 1HB GLU 29 22.310 -1.629 3.264
221 2HB GLU 29 2HB GLU 29 23.751 -2.224 4.074
222 1HG GLU 29 1HG GLU 29 21.630 -4.183 3.396
223 2HG GLU 29 2HG GLU 29 22.616 -3.535 2.086
224 H GLY 30 H GLY 30 21.066 -0.286 4.131
225 1HA GLY 30 1HA GLY 30 20.758 1.908 4.746
226 2HA GLY 30 2HA GLY 30 20.871 1.381 6.419
227 1HN NH2 31 1HN NH2 31 22.173 2.948 7.212
228 2HN NH2 31 2HN NH2 31 23.793 3.230 6.681
229 1H ACE 0 1H ACE 0 -16.901 -5.199 3.723
230 2H ACE 0 2H ACE 0 -18.302 -5.367 4.781
231 3H ACE 0 3H ACE 0 -17.063 -4.168 5.145
232 H GLU 1 H GLU 1 -19.495 -3.162 5.088
233 HA GLU 1 HA GLU 1 -20.493 -2.405 2.558
234 1HB GLU 1 1HB GLU 1 -21.536 -0.471 4.065
235 2HB GLU 1 2HB GLU 1 -22.149 -2.118 4.105
236 1HG GLU 1 1HG GLU 1 -19.978 -1.465 5.996
237 2HG GLU 1 2HG GLU 1 -21.541 -0.709 6.289
238 H VAL 2 H VAL 2 -20.902 0.233 2.486
239 HA VAL 2 HA VAL 2 -18.953 1.356 1.102
240 HB VAL 2 HB VAL 2 -20.503 2.906 3.171
241 1HG1 VAL 2 1HG1 VAL 2 -18.631 4.155 2.181
242 2HG1 VAL 2 2HG1 VAL 2 -19.267 3.811 0.573
243 3HG1 VAL 2 3HG1 VAL 2 -20.195 4.808 1.692
244 1HG2 VAL 2 1HG2 VAL 2 -21.256 1.672 0.598
245 2HG2 VAL 2 2HG2 VAL 2 -22.241 2.039 2.015
246 3HG2 VAL 2 3HG2 VAL 2 -21.827 3.319 0.874
247 H GLN 3 H GLN 3 -19.067 2.858 4.269
248 HA GLN 3 HA GLN 3 -16.360 3.483 4.312
249 1HB GLN 3 1HB GLN 3 -16.693 3.973 6.723
250 2HB GLN 3 2HB GLN 3 -17.902 4.710 5.684
251 1HG GLN 3 1HG GLN 3 -18.542 2.066 6.846
252 2HG GLN 3 2HG GLN 3 -18.516 3.452 7.932
253 1HE2 GLN 3 2HE2 GLN 3 -20.390 1.660 5.876
254 2HE2 GLN 3 1HE2 GLN 3 -21.672 2.789 5.613
255 H ALA 4 H ALA 4 -18.064 0.691 5.643
256 HA ALA 4 HA ALA 4 -16.084 -0.398 7.229
257 1HB ALA 4 1HB ALA 4 -18.138 -1.739 5.502
258 2HB ALA 4 2HB ALA 4 -17.080 -2.633 6.590
259 3HB ALA 4 3HB ALA 4 -18.203 -1.436 7.236
260 H LEU 5 H LEU 5 -16.262 -0.235 3.758
261 HA LEU 5 HA LEU 5 -13.744 -1.763 3.581
262 1HB LEU 5 1HB LEU 5 -16.128 -1.607 1.836
263 2HB LEU 5 2HB LEU 5 -14.579 -1.744 1.039
264 HG LEU 5 HG LEU 5 -15.764 -3.688 3.020
265 1HD1 LEU 5 1HD1 LEU 5 -16.629 -3.625 0.632
266 2HD1 LEU 5 2HD1 LEU 5 -15.026 -4.184 0.154
267 3HD1 LEU 5 3HD1 LEU 5 -16.021 -5.172 1.221
268 1HD2 LEU 5 1HD2 LEU 5 -13.020 -3.361 1.953
269 2HD2 LEU 5 2HD2 LEU 5 -13.565 -3.989 3.507
270 3HD2 LEU 5 3HD2 LEU 5 -13.659 -5.000 2.064
271 H LYS 6 H LYS 6 -15.524 1.025 2.496
272 HA LYS 6 HA LYS 6 -13.700 2.195 0.769
273 1HB LYS 6 1HB LYS 6 -15.897 3.050 0.811
274 2HB LYS 6 2HB LYS 6 -15.859 3.256 2.550
275 1HG LYS 6 1HG LYS 6 -15.045 5.328 2.391
276 2HG LYS 6 2HG LYS 6 -13.834 4.848 1.202
277 1HD LYS 6 1HD LYS 6 -15.068 5.600 -0.505
278 2HD LYS 6 2HD LYS 6 -16.536 4.842 0.116
279 1HE LYS 6 1HE LYS 6 -17.227 6.948 0.464
280 2HE LYS 6 2HE LYS 6 -16.182 6.885 1.883
281 1HZ LYS 6 1HZ LYS 6 -15.398 7.912 -0.792
282 2HZ LYS 6 2HZ LYS 6 -15.766 8.862 0.558
283 3HZ LYS 6 3HZ LYS 6 -14.402 7.860 0.575
284 H LYS 7 H LYS 7 -13.830 2.176 4.257
285 HA LYS 7 HA LYS 7 -11.716 4.164 4.451
286 1HB LYS 7 1HB LYS 7 -12.731 2.618 6.796
287 2HB LYS 7 2HB LYS 7 -12.177 4.283 6.715
288 1HG LYS 7 1HG LYS 7 -14.597 3.738 5.159
289 2HG LYS 7 2HG LYS 7 -14.771 3.504 6.897
290 1HD LYS 7 1HD LYS 7 -15.219 5.708 6.858
291 2HD LYS 7 2HD LYS 7 -13.459 5.852 6.865
292 1HE LYS 7 1HE LYS 7 -13.915 5.585 4.222
293 2HE LYS 7 2HE LYS 7 -15.406 6.386 4.715
294 1HZ LYS 7 1HZ LYS 7 -12.935 7.511 5.758
295 2HZ LYS 7 2HZ LYS 7 -13.193 7.699 4.097
296 3HZ LYS 7 3HZ LYS 7 -14.329 8.290 5.201
297 H ARG 8 H ARG 8 -12.239 0.736 5.140
298 HA ARG 8 HA ARG 8 -9.832 0.077 6.304
299 1HB ARG 8 1HB ARG 8 -10.322 -2.146 5.844
300 2HB ARG 8 2HB ARG 8 -11.905 -1.387 5.802
301 1HG ARG 8 1HG ARG 8 -12.195 -2.366 3.830
302 2HG ARG 8 2HG ARG 8 -11.023 -1.218 3.183
303 1HD ARG 8 1HD ARG 8 -9.649 -2.898 2.720
304 2HD ARG 8 2HD ARG 8 -9.571 -3.302 4.434
305 HE ARG 8 HE ARG 8 -11.102 -4.647 2.393
306 1HH1 ARG 8 1HH1 ARG 8 -10.734 -4.080 5.818
307 2HH1 ARG 8 2HH1 ARG 8 -11.554 -5.535 6.272
308 1HH2 ARG 8 1HH2 ARG 8 -12.182 -6.558 2.990
309 2HH2 ARG 8 2HH2 ARG 8 -12.375 -6.943 4.667
310 H VAL 9 H VAL 9 -10.462 0.904 2.996
311 HA VAL 9 HA VAL 9 -8.211 -0.244 1.770
312 HB VAL 9 HB VAL 9 -9.678 2.289 1.009
313 1HG1 VAL 9 1HG1 VAL 9 -7.320 1.755 0.018
314 2HG1 VAL 9 2HG1 VAL 9 -8.204 0.561 -0.931
315 3HG1 VAL 9 3HG1 VAL 9 -8.631 2.268 -1.042
316 1HG2 VAL 9 1HG2 VAL 9 -10.687 -0.254 1.128
317 2HG2 VAL 9 2HG2 VAL 9 -11.300 1.044 0.103
318 3HG2 VAL 9 3HG2 VAL 9 -10.158 -0.132 -0.550
319 H GLN 10 H GLN 10 -8.686 2.974 3.212
320 HA GLN 10 HA GLN 10 -6.279 4.144 2.572
321 1HB GLN 10 1HB GLN 10 -6.604 5.625 4.424
322 2HB GLN 10 2HB GLN 10 -8.187 5.243 3.760
323 1HG GLN 10 1HG GLN 10 -8.867 4.608 5.759
324 2HG GLN 10 2HG GLN 10 -7.643 3.340 5.776
325 1HE2 GLN 10 2HE2 GLN 10 -5.359 4.944 5.831
326 2HE2 GLN 10 1HE2 GLN 10 -5.287 5.747 7.358
327 H ALA 11 H ALA 11 -6.919 1.665 4.940
328 HA ALA 11 HA ALA 11 -4.511 1.898 6.406
329 1HB ALA 11 1HB ALA 11 -6.412 -0.406 6.034
330 2HB ALA 11 2HB ALA 11 -5.032 -0.443 7.131
331 3HB ALA 11 3HB ALA 11 -6.330 0.723 7.388
332 H LEU 12 H LEU 12 -5.085 0.816 3.240
333 HA LEU 12 HA LEU 12 -2.714 -0.902 3.228
334 1HB LEU 12 1HB LEU 12 -4.314 -0.445 0.767
335 2HB LEU 12 2HB LEU 12 -3.508 -1.896 1.314
336 HG LEU 12 HG LEU 12 -5.927 -0.928 2.787
337 1HD1 LEU 12 1HD1 LEU 12 -5.917 -2.438 0.184
338 2HD1 LEU 12 2HD1 LEU 12 -7.296 -2.361 1.280
339 3HD1 LEU 12 3HD1 LEU 12 -6.688 -0.888 0.525
340 1HD2 LEU 12 1HD2 LEU 12 -4.472 -2.809 3.597
341 2HD2 LEU 12 2HD2 LEU 12 -6.172 -3.218 3.364
342 3HD2 LEU 12 3HD2 LEU 12 -4.974 -3.714 2.168
343 H LYS 13 H LYS 13 -4.074 1.899 1.527
344 HA LYS 13 HA LYS 13 -1.636 2.395 0.087
345 1HB LYS 13 1HB LYS 13 -2.819 4.447 -0.687
346 2HB LYS 13 2HB LYS 13 -3.684 2.954 -1.007
347 1HG LYS 13 1HG LYS 13 -5.451 3.961 -0.109
348 2HG LYS 13 2HG LYS 13 -4.659 3.713 1.449
349 1HD LYS 13 1HD LYS 13 -4.637 5.922 1.704
350 2HD LYS 13 2HD LYS 13 -3.468 5.993 0.384
351 1HE LYS 13 1HE LYS 13 -5.870 5.755 -0.933
352 2HE LYS 13 2HE LYS 13 -6.279 6.774 0.447
353 1HZ LYS 13 1HZ LYS 13 -3.908 7.366 -1.206
354 2HZ LYS 13 2HZ LYS 13 -5.444 7.880 -1.693
355 3HZ LYS 13 3HZ LYS 13 -4.805 8.409 -0.220
356 H ALA 14 H ALA 14 -2.968 3.401 3.120
357 HA ALA 14 HA ALA 14 -1.732 5.866 3.490
358 1HB ALA 14 1HB ALA 14 -2.482 3.699 5.430
359 2HB ALA 14 2HB ALA 14 -1.763 5.220 5.957
360 3HB ALA 14 3HB ALA 14 -3.309 5.223 5.106
361 H ARG 15 H ARG 15 -0.532 2.725 4.691
362 HA ARG 15 HA ARG 15 2.075 3.788 5.216
363 1HB ARG 15 1HB ARG 15 1.104 1.958 6.555
364 2HB ARG 15 2HB ARG 15 1.129 0.916 5.140
365 1HG ARG 15 1HG ARG 15 3.060 0.224 6.073
366 2HG ARG 15 2HG ARG 15 3.705 1.609 5.190
367 1HD ARG 15 1HD ARG 15 4.197 2.716 7.071
368 2HD ARG 15 2HD ARG 15 2.652 2.310 7.817
369 HE ARG 15 HE ARG 15 4.200 0.006 7.839
370 1HH1 ARG 15 1HH1 ARG 15 4.308 3.209 9.220
371 2HH1 ARG 15 2HH1 ARG 15 5.185 2.708 10.627
372 1HH2 ARG 15 1HH2 ARG 15 5.352 -0.655 9.689
373 2HH2 ARG 15 2HH2 ARG 15 5.778 0.514 10.893
374 H ASN 16 H ASN 16 0.609 1.833 2.679
375 HA ASN 16 HA ASN 16 2.930 1.062 1.328
376 1HB ASN 16 1HB ASN 16 0.802 0.055 0.800
377 2HB ASN 16 2HB ASN 16 0.145 1.600 0.281
378 1HD2 ASN 16 2HD2 ASN 16 -0.358 0.344 -1.659
379 2HD2 ASN 16 1HD2 ASN 16 0.847 0.202 -2.888
380 H TYR 17 H TYR 17 0.957 3.989 1.029
381 HA TYR 17 HA TYR 17 2.126 5.129 -1.202
382 1HB TYR 17 1HB TYR 17 0.168 6.115 -0.185
383 2HB TYR 17 2HB TYR 17 1.062 6.471 1.289
384 HD1 TYR 17 HD1 TYR 17 1.263 7.178 -2.379
385 HD2 TYR 17 HD2 TYR 17 1.810 8.633 1.581
386 HE1 TYR 17 HE1 TYR 17 1.858 9.388 -3.279
387 HE2 TYR 17 HE2 TYR 17 2.406 10.847 0.692
388 HH TYR 17 HH TYR 17 1.818 11.782 -2.459
389 H ALA 18 H ALA 18 3.221 5.188 2.156
390 HA ALA 18 HA ALA 18 5.373 6.983 1.747
391 1HB ALA 18 1HB ALA 18 4.634 5.050 3.903
392 2HB ALA 18 2HB ALA 18 6.224 5.811 3.913
393 3HB ALA 18 3HB ALA 18 4.770 6.807 3.968
394 H LEU 19 H LEU 19 5.193 3.429 1.806
395 HA LEU 19 HA LEU 19 7.953 2.995 1.432
396 1HB LEU 19 1HB LEU 19 6.039 1.064 0.237
397 2HB LEU 19 2HB LEU 19 7.472 0.769 1.194
398 HG LEU 19 HG LEU 19 4.740 1.547 2.191
399 1HD1 LEU 19 1HD1 LEU 19 6.491 -0.876 2.498
400 2HD1 LEU 19 2HD1 LEU 19 5.091 -0.562 3.525
401 3HD1 LEU 19 3HD1 LEU 19 4.880 -0.777 1.787
402 1HD2 LEU 19 1HD2 LEU 19 7.399 1.612 3.566
403 2HD2 LEU 19 2HD2 LEU 19 6.100 2.805 3.594
404 3HD2 LEU 19 3HD2 LEU 19 5.918 1.285 4.468
405 H LYS 20 H LYS 20 5.281 2.860 -0.924
406 HA LYS 20 HA LYS 20 6.567 2.404 -3.255
407 1HB LYS 20 1HB LYS 20 4.074 3.251 -2.605
408 2HB LYS 20 2HB LYS 20 4.697 4.685 -3.406
409 1HG LYS 20 1HG LYS 20 5.426 2.950 -5.240
410 2HG LYS 20 2HG LYS 20 4.140 1.983 -4.513
411 1HD LYS 20 1HD LYS 20 2.949 4.433 -4.754
412 2HD LYS 20 2HD LYS 20 3.981 4.384 -6.185
413 1HE LYS 20 1HE LYS 20 2.982 1.992 -6.473
414 2HE LYS 20 2HE LYS 20 1.709 2.601 -5.418
415 1HZ LYS 20 1HZ LYS 20 2.479 4.240 -7.714
416 2HZ LYS 20 2HZ LYS 20 1.575 2.843 -8.017
417 3HZ LYS 20 3HZ LYS 20 0.964 4.041 -6.990
418 H GLN 21 H GLN 21 6.754 5.334 -1.366
419 HA GLN 21 HA GLN 21 8.075 6.836 -3.439
420 1HB GLN 21 1HB GLN 21 6.647 8.019 -1.895
421 2HB GLN 21 2HB GLN 21 7.573 7.430 -0.523
422 1HG GLN 21 1HG GLN 21 9.489 8.728 -1.208
423 2HG GLN 21 2HG GLN 21 8.649 9.246 -2.668
424 1HE2 GLN 21 2HE2 GLN 21 8.863 11.416 -2.118
425 2HE2 GLN 21 1HE2 GLN 21 7.921 12.144 -0.866
426 H LYS 22 H LYS 22 9.025 5.190 -0.445
427 HA LYS 22 HA LYS 22 11.807 5.941 -0.842
428 1HB LYS 22 1HB LYS 22 12.186 4.750 1.297
429 2HB LYS 22 2HB LYS 22 10.981 6.025 1.417
430 1HG LYS 22 1HG LYS 22 9.467 4.595 2.163
431 2HG LYS 22 2HG LYS 22 9.704 3.548 0.762
432 1HD LYS 22 1HD LYS 22 10.136 2.345 2.842
433 2HD LYS 22 2HD LYS 22 11.603 2.485 1.874
434 1HE LYS 22 1HE LYS 22 12.214 2.948 4.119
435 2HE LYS 22 2HE LYS 22 12.207 4.488 3.263
436 1HZ LYS 22 1HZ LYS 22 9.995 3.479 4.970
437 2HZ LYS 22 2HZ LYS 22 11.142 4.627 5.446
438 3HZ LYS 22 3HZ LYS 22 10.055 4.984 4.199
439 H VAL 23 H VAL 23 9.768 3.111 -1.185
440 HA VAL 23 HA VAL 23 11.422 0.990 -1.178
441 HB VAL 23 HB VAL 23 9.373 1.547 -3.326
442 1HG1 VAL 23 1HG1 VAL 23 11.017 -0.842 -2.680
443 2HG1 VAL 23 2HG1 VAL 23 9.335 -1.100 -3.142
444 3HG1 VAL 23 3HG1 VAL 23 10.431 -0.258 -4.238
445 1HG2 VAL 23 1HG2 VAL 23 9.003 1.263 -0.603
446 2HG2 VAL 23 2HG2 VAL 23 7.777 1.035 -1.850
447 3HG2 VAL 23 3HG2 VAL 23 8.679 -0.350 -1.236
448 H GLN 24 H GLN 24 10.893 2.888 -4.161
449 HA GLN 24 HA GLN 24 12.922 1.687 -5.652
450 1HB GLN 24 1HB GLN 24 12.787 3.683 -7.106
451 2HB GLN 24 2HB GLN 24 11.206 3.023 -6.713
452 1HG GLN 24 1HG GLN 24 10.596 4.833 -5.491
453 2HG GLN 24 2HG GLN 24 12.245 5.175 -4.969
454 1HE2 GLN 24 2HE2 GLN 24 9.897 5.572 -7.508
455 2HE2 GLN 24 1HE2 GLN 24 10.725 6.834 -8.350
456 H ALA 25 H ALA 25 13.045 4.214 -3.262
457 HA ALA 25 HA ALA 25 15.642 5.183 -3.936
458 1HB ALA 25 1HB ALA 25 13.740 6.281 -2.520
459 2HB ALA 25 2HB ALA 25 14.521 5.438 -1.183
460 3HB ALA 25 3HB ALA 25 15.432 6.606 -2.141
461 H LEU 26 H LEU 26 14.431 2.566 -1.983
462 HA LEU 26 HA LEU 26 16.891 2.147 -0.556
463 1HB LEU 26 1HB LEU 26 14.560 0.260 -0.894
464 2HB LEU 26 2HB LEU 26 15.831 0.145 0.308
465 HG LEU 26 HG LEU 26 13.877 2.437 0.169
466 1HD1 LEU 26 1HD1 LEU 26 13.701 -0.233 1.459
467 2HD1 LEU 26 2HD1 LEU 26 13.092 1.164 2.345
468 3HD1 LEU 26 3HD1 LEU 26 12.434 0.772 0.757
469 1HD2 LEU 26 1HD2 LEU 26 15.871 1.542 2.244
470 2HD2 LEU 26 2HD2 LEU 26 15.909 3.031 1.298
471 3HD2 LEU 26 3HD2 LEU 26 14.647 2.785 2.506
472 H ARG 27 H ARG 27 15.137 0.183 -2.968
473 HA ARG 27 HA ARG 27 17.082 -1.712 -3.439
474 1HB ARG 27 1HB ARG 27 16.042 -1.878 -5.761
475 2HB ARG 27 2HB ARG 27 14.967 -2.101 -4.389
476 1HG ARG 27 1HG ARG 27 14.719 0.565 -4.809
477 2HG ARG 27 2HG ARG 27 14.999 -0.016 -6.451
478 1HD ARG 27 1HD ARG 27 13.192 -1.833 -5.401
479 2HD ARG 27 2HD ARG 27 12.656 -0.282 -4.752
480 HE ARG 27 HE ARG 27 13.043 0.254 -7.371
481 1HH1 ARG 27 1HH1 ARG 27 11.253 -2.227 -5.692
482 2HH1 ARG 27 2HH1 ARG 27 10.064 -2.389 -6.940
483 1HH2 ARG 27 1HH2 ARG 27 11.480 0.042 -9.014
484 2HH2 ARG 27 2HH2 ARG 27 10.193 -1.102 -8.827
485 H HIS 28 H HIS 28 16.584 1.283 -5.326
486 HA HIS 28 HA HIS 28 18.948 0.912 -6.868
487 1HB HIS 28 1HB HIS 28 16.897 3.032 -6.565
488 2HB HIS 28 2HB HIS 28 18.470 3.548 -7.163
489 HD1 HIS 28 HD1 HIS 28 19.213 1.324 -9.076
490 HD2 HIS 28 HD2 HIS 28 15.361 2.844 -8.749
491 HE1 HIS 28 HE1 HIS 28 18.052 0.790 -11.258
492 H LYS 29 H LYS 29 18.280 3.702 -4.771
493 HA LYS 29 HA LYS 29 21.066 4.131 -4.298
494 1HB LYS 29 1HB LYS 29 19.062 5.827 -4.333
495 2HB LYS 29 2HB LYS 29 18.929 5.403 -2.631
496 1HG LYS 29 1HG LYS 29 20.254 7.354 -2.754
497 2HG LYS 29 2HG LYS 29 21.351 6.019 -2.394
498 1HD LYS 29 1HD LYS 29 22.500 7.147 -4.051
499 2HD LYS 29 2HD LYS 29 21.643 5.916 -4.978
500 1HE LYS 29 1HE LYS 29 19.977 8.226 -4.687
501 2HE LYS 29 2HE LYS 29 21.555 8.714 -5.304
502 1HZ LYS 29 1HZ LYS 29 21.294 6.920 -7.000
503 2HZ LYS 29 2HZ LYS 29 19.694 6.732 -6.485
504 3HZ LYS 29 3HZ LYS 29 20.201 8.201 -7.156
505 H GLY 30 H GLY 30 22.307 3.544 -2.603
506 1HA GLY 30 1HA GLY 30 22.558 3.031 -0.250
507 2HA GLY 30 2HA GLY 30 20.979 2.263 -0.303
508 1HN NH2 31 1HN NH2 31 21.568 0.914 -2.837
509 2HN NH2 31 2HN NH2 31 22.629 -0.392 -2.442
Start of MODEL 6
1 1H ACE 0 1H ACE 0 -18.960 9.175 -3.817
2 2H ACE 0 2H ACE 0 -18.513 10.207 -5.176
3 3H ACE 0 3H ACE 0 -17.302 9.753 -3.976
4 H GLU 1 H GLU 1 -15.927 8.271 -4.711
5 HA GLU 1 HA GLU 1 -16.700 6.516 -6.901
6 1HB GLU 1 1HB GLU 1 -14.007 6.591 -5.559
7 2HB GLU 1 2HB GLU 1 -14.397 6.068 -7.190
8 1HG GLU 1 1HG GLU 1 -13.762 8.077 -7.868
9 2HG GLU 1 2HG GLU 1 -15.233 8.701 -7.123
10 H VAL 2 H VAL 2 -17.834 4.778 -6.263
11 HA VAL 2 HA VAL 2 -17.239 3.442 -3.760
12 HB VAL 2 HB VAL 2 -19.229 2.654 -5.894
13 1HG1 VAL 2 1HG1 VAL 2 -18.507 1.573 -3.245
14 2HG1 VAL 2 2HG1 VAL 2 -20.231 1.701 -3.590
15 3HG1 VAL 2 3HG1 VAL 2 -19.186 0.764 -4.656
16 1HG2 VAL 2 1HG2 VAL 2 -19.549 4.948 -4.889
17 2HG2 VAL 2 2HG2 VAL 2 -20.897 3.829 -4.687
18 3HG2 VAL 2 3HG2 VAL 2 -19.802 4.143 -3.341
19 H ALA 3 H ALA 3 -17.227 2.601 -7.220
20 HA ALA 3 HA ALA 3 -16.227 0.003 -6.964
21 1HB ALA 3 1HB ALA 3 -16.412 1.989 -9.145
22 2HB ALA 3 2HB ALA 3 -15.246 0.684 -9.362
23 3HB ALA 3 3HB ALA 3 -16.948 0.310 -9.088
24 H GLN 4 H GLN 4 -14.667 3.042 -6.566
25 HA GLN 4 HA GLN 4 -12.000 1.966 -6.959
26 1HB GLN 4 1HB GLN 4 -13.158 4.664 -6.451
27 2HB GLN 4 2HB GLN 4 -11.480 4.384 -6.008
28 1HG GLN 4 1HG GLN 4 -12.256 3.492 -8.702
29 2HG GLN 4 2HG GLN 4 -12.278 5.233 -8.429
30 1HE2 GLN 4 2HE2 GLN 4 -10.156 2.717 -7.130
31 2HE2 GLN 4 1HE2 GLN 4 -8.689 3.391 -7.746
32 H LEU 5 H LEU 5 -14.034 1.340 -4.654
33 HA LEU 5 HA LEU 5 -12.041 1.574 -2.502
34 1HB LEU 5 1HB LEU 5 -15.044 1.643 -2.197
35 2HB LEU 5 2HB LEU 5 -13.874 1.730 -0.892
36 HG LEU 5 HG LEU 5 -14.131 3.794 -3.078
37 1HD1 LEU 5 1HD1 LEU 5 -15.157 3.842 -0.245
38 2HD1 LEU 5 2HD1 LEU 5 -15.173 5.202 -1.368
39 3HD1 LEU 5 3HD1 LEU 5 -16.137 3.764 -1.709
40 1HD2 LEU 5 1HD2 LEU 5 -11.913 3.423 -1.814
41 2HD2 LEU 5 2HD2 LEU 5 -12.561 5.059 -1.928
42 3HD2 LEU 5 3HD2 LEU 5 -12.760 4.135 -0.440
43 H GLU 6 H GLU 6 -14.727 -0.308 -3.836
44 HA GLU 6 HA GLU 6 -14.516 -2.527 -2.130
45 1HB GLU 6 1HB GLU 6 -15.460 -2.359 -4.998
46 2HB GLU 6 2HB GLU 6 -15.679 -3.762 -3.963
47 1HG GLU 6 1HG GLU 6 -16.870 -2.136 -2.369
48 2HG GLU 6 2HG GLU 6 -16.945 -1.060 -3.764
49 H LYS 7 H LYS 7 -13.610 -2.632 -5.561
50 HA LYS 7 HA LYS 7 -11.826 -4.781 -5.254
51 1HB LYS 7 1HB LYS 7 -10.941 -3.945 -7.528
52 2HB LYS 7 2HB LYS 7 -12.616 -4.470 -7.436
53 1HG LYS 7 1HG LYS 7 -13.413 -2.243 -7.454
54 2HG LYS 7 2HG LYS 7 -11.797 -1.590 -7.182
55 1HD LYS 7 1HD LYS 7 -11.493 -3.083 -9.478
56 2HD LYS 7 2HD LYS 7 -13.105 -2.389 -9.662
57 1HE LYS 7 1HE LYS 7 -11.998 -0.613 -10.477
58 2HE LYS 7 2HE LYS 7 -11.711 -0.237 -8.779
59 1HZ LYS 7 1HZ LYS 7 -9.673 -1.838 -9.208
60 2HZ LYS 7 2HZ LYS 7 -9.869 -1.273 -10.791
61 3HZ LYS 7 3HZ LYS 7 -9.591 -0.181 -9.530
62 H GLU 8 H GLU 8 -11.477 -1.445 -4.592
63 HA GLU 8 HA GLU 8 -8.702 -1.157 -4.950
64 1HB GLU 8 1HB GLU 8 -10.393 0.682 -4.573
65 2HB GLU 8 2HB GLU 8 -10.366 0.254 -2.868
66 1HG GLU 8 1HG GLU 8 -8.649 1.615 -2.601
67 2HG GLU 8 2HG GLU 8 -7.688 0.549 -3.625
68 H VAL 9 H VAL 9 -10.614 -2.645 -2.447
69 HA VAL 9 HA VAL 9 -8.591 -2.650 -0.442
70 HB VAL 9 HB VAL 9 -11.295 -3.678 -0.704
71 1HG1 VAL 9 1HG1 VAL 9 -9.277 -5.466 0.644
72 2HG1 VAL 9 2HG1 VAL 9 -11.010 -5.523 0.972
73 3HG1 VAL 9 3HG1 VAL 9 -10.406 -5.887 -0.644
74 1HG2 VAL 9 1HG2 VAL 9 -10.639 -1.915 0.826
75 2HG2 VAL 9 2HG2 VAL 9 -11.302 -3.286 1.714
76 3HG2 VAL 9 3HG2 VAL 9 -9.560 -3.024 1.672
77 H ALA 10 H ALA 10 -9.786 -5.219 -2.623
78 HA ALA 10 HA ALA 10 -7.908 -7.165 -1.939
79 1HB ALA 10 1HB ALA 10 -10.019 -7.180 -3.552
80 2HB ALA 10 2HB ALA 10 -8.764 -6.988 -4.777
81 3HB ALA 10 3HB ALA 10 -8.728 -8.374 -3.688
82 H GLN 11 H GLN 11 -7.648 -4.322 -3.894
83 HA GLN 11 HA GLN 11 -5.328 -4.963 -5.362
84 1HB GLN 11 1HB GLN 11 -6.692 -3.112 -6.043
85 2HB GLN 11 2HB GLN 11 -6.532 -2.337 -4.479
86 1HG GLN 11 1HG GLN 11 -4.996 -1.096 -5.533
87 2HG GLN 11 2HG GLN 11 -3.941 -2.472 -5.227
88 1HE2 GLN 11 2HE2 GLN 11 -4.189 -0.388 -7.422
89 2HE2 GLN 11 1HE2 GLN 11 -4.152 -1.315 -8.880
90 H LEU 12 H LEU 12 -5.474 -2.576 -2.721
91 HA LEU 12 HA LEU 12 -2.933 -2.208 -2.016
92 1HB LEU 12 1HB LEU 12 -4.673 -2.944 0.258
93 2HB LEU 12 2HB LEU 12 -3.649 -1.542 0.035
94 HG LEU 12 HG LEU 12 -6.355 -2.002 -1.191
95 1HD1 LEU 12 1HD1 LEU 12 -5.912 -1.269 1.293
96 2HD1 LEU 12 2HD1 LEU 12 -5.704 0.298 0.528
97 3HD1 LEU 12 3HD1 LEU 12 -7.212 -0.586 0.327
98 1HD2 LEU 12 1HD2 LEU 12 -4.373 -0.669 -2.428
99 2HD2 LEU 12 2HD2 LEU 12 -6.070 -0.230 -2.562
100 3HD2 LEU 12 3HD2 LEU 12 -5.031 0.621 -1.429
101 H GLU 13 H GLU 13 -4.767 -4.724 -0.275
102 HA GLU 13 HA GLU 13 -2.823 -6.024 1.045
103 1HB GLU 13 1HB GLU 13 -5.101 -7.348 -0.432
104 2HB GLU 13 2HB GLU 13 -4.164 -8.091 0.856
105 1HG GLU 13 1HG GLU 13 -4.937 -6.382 2.414
106 2HG GLU 13 2HG GLU 13 -5.871 -5.628 1.124
107 H ALA 14 H ALA 14 -3.448 -6.318 -2.403
108 HA ALA 14 HA ALA 14 -1.688 -8.509 -2.831
109 1HB ALA 14 1HB ALA 14 -3.435 -6.902 -4.413
110 2HB ALA 14 2HB ALA 14 -1.860 -6.983 -5.202
111 3HB ALA 14 3HB ALA 14 -2.720 -8.467 -4.795
112 H GLU 15 H GLU 15 -1.323 -5.015 -3.528
113 HA GLU 15 HA GLU 15 1.455 -5.299 -4.033
114 1HB GLU 15 1HB GLU 15 1.040 -2.647 -3.833
115 2HB GLU 15 2HB GLU 15 0.779 -3.583 -5.280
116 1HG GLU 15 1HG GLU 15 -1.470 -3.262 -3.381
117 2HG GLU 15 2HG GLU 15 -1.003 -1.896 -4.389
118 H ASN 16 H ASN 16 -0.498 -3.710 -1.455
119 HA ASN 16 HA ASN 16 1.515 -2.677 0.082
120 1HB ASN 16 1HB ASN 16 -0.955 -2.531 0.524
121 2HB ASN 16 2HB ASN 16 -0.873 -4.153 1.206
122 1HD2 ASN 16 2HD2 ASN 16 -1.629 -3.255 3.170
123 2HD2 ASN 16 1HD2 ASN 16 -0.551 -2.414 4.226
124 H TYR 17 H TYR 17 0.699 -6.035 -0.355
125 HA TYR 17 HA TYR 17 2.452 -6.883 1.808
126 1HB TYR 17 1HB TYR 17 0.441 -8.161 1.607
127 2HB TYR 17 2HB TYR 17 0.687 -8.397 -0.119
128 HD1 TYR 17 HD1 TYR 17 2.379 -9.986 -0.926
129 HD2 TYR 17 HD2 TYR 17 1.562 -9.543 3.225
130 HE1 TYR 17 HE1 TYR 17 3.538 -12.107 -0.479
131 HE2 TYR 17 HE2 TYR 17 2.719 -11.664 3.685
132 HH TYR 17 HH TYR 17 4.794 -13.046 1.923
133 H GLN 18 H GLN 18 2.441 -6.598 -1.663
134 HA GLN 18 HA GLN 18 4.705 -8.281 -2.121
135 1HB GLN 18 1HB GLN 18 2.864 -7.581 -3.784
136 2HB GLN 18 2HB GLN 18 3.785 -6.095 -3.971
137 1HG GLN 18 1HG GLN 18 5.529 -7.143 -5.026
138 2HG GLN 18 2HG GLN 18 5.177 -8.706 -4.291
139 1HE2 GLN 18 2HE2 GLN 18 3.762 -6.337 -6.517
140 2HE2 GLN 18 1HE2 GLN 18 3.075 -7.501 -7.594
141 H LEU 19 H LEU 19 4.226 -4.795 -1.753
142 HA LEU 19 HA LEU 19 6.980 -4.164 -2.254
143 1HB LEU 19 1HB LEU 19 4.738 -2.528 -1.084
144 2HB LEU 19 2HB LEU 19 6.321 -1.895 -1.486
145 HG LEU 19 HG LEU 19 4.483 -3.155 -3.515
146 1HD1 LEU 19 1HD1 LEU 19 4.406 -0.521 -2.294
147 2HD1 LEU 19 2HD1 LEU 19 4.592 -0.453 -4.046
148 3HD1 LEU 19 3HD1 LEU 19 3.233 -1.322 -3.338
149 1HD2 LEU 19 1HD2 LEU 19 7.162 -1.899 -3.571
150 2HD2 LEU 19 2HD2 LEU 19 6.498 -3.203 -4.555
151 3HD2 LEU 19 3HD2 LEU 19 6.071 -1.527 -4.905
152 H GLU 20 H GLU 20 4.914 -4.065 0.660
153 HA GLU 20 HA GLU 20 6.763 -3.293 2.526
154 1HB GLU 20 1HB GLU 20 4.275 -3.818 2.830
155 2HB GLU 20 2HB GLU 20 4.775 -5.483 3.086
156 1HG GLU 20 1HG GLU 20 5.058 -4.996 5.221
157 2HG GLU 20 2HG GLU 20 6.413 -3.970 4.754
158 H GLN 21 H GLN 21 6.508 -6.365 0.916
159 HA GLN 21 HA GLN 21 8.318 -7.713 2.718
160 1HB GLN 21 1HB GLN 21 6.415 -8.547 0.884
161 2HB GLN 21 2HB GLN 21 7.936 -8.961 0.108
162 1HG GLN 21 1HG GLN 21 7.819 -9.697 2.929
163 2HG GLN 21 2HG GLN 21 6.608 -10.497 1.929
164 1HE2 GLN 21 2HE2 GLN 21 8.907 -11.639 3.276
165 2HE2 GLN 21 1HE2 GLN 21 9.877 -12.374 2.050
166 H GLU 22 H GLU 22 8.489 -5.980 -0.311
167 HA GLU 22 HA GLU 22 11.238 -6.810 -0.790
168 1HB GLU 22 1HB GLU 22 9.511 -4.832 -2.292
169 2HB GLU 22 2HB GLU 22 11.082 -5.429 -2.811
170 1HG GLU 22 1HG GLU 22 8.834 -7.326 -2.287
171 2HG GLU 22 2HG GLU 22 8.945 -6.456 -3.817
172 H VAL 23 H VAL 23 9.486 -4.200 0.632
173 HA VAL 23 HA VAL 23 11.634 -2.292 0.523
174 HB VAL 23 HB VAL 23 9.227 -2.187 2.336
175 1HG1 VAL 23 1HG1 VAL 23 11.331 -0.583 2.392
176 2HG1 VAL 23 2HG1 VAL 23 10.458 0.200 1.075
177 3HG1 VAL 23 3HG1 VAL 23 9.694 0.018 2.653
178 1HG2 VAL 23 1HG2 VAL 23 9.152 -2.334 -0.457
179 2HG2 VAL 23 2HG2 VAL 23 7.852 -1.832 0.623
180 3HG2 VAL 23 3HG2 VAL 23 8.938 -0.627 -0.070
181 H ALA 24 H ALA 24 10.450 -4.696 2.766
182 HA ALA 24 HA ALA 24 11.731 -3.849 5.104
183 1HB ALA 24 1HB ALA 24 10.066 -5.890 4.483
184 2HB ALA 24 2HB ALA 24 11.586 -6.758 4.695
185 3HB ALA 24 3HB ALA 24 10.950 -5.760 6.003
186 H GLN 25 H GLN 25 12.916 -5.625 2.328
187 HA GLN 25 HA GLN 25 15.435 -6.266 3.595
188 1HB GLN 25 1HB GLN 25 14.005 -7.107 1.245
189 2HB GLN 25 2HB GLN 25 15.642 -6.641 0.805
190 1HG GLN 25 1HG GLN 25 16.064 -8.143 3.041
191 2HG GLN 25 2HG GLN 25 14.681 -8.952 2.306
192 1HE2 GLN 25 2HE2 GLN 25 16.172 -10.733 2.032
193 2HE2 GLN 25 1HE2 GLN 25 17.232 -10.751 0.668
194 H LEU 26 H LEU 26 14.228 -4.007 1.161
195 HA LEU 26 HA LEU 26 16.669 -2.926 0.340
196 1HB LEU 26 1HB LEU 26 13.927 -1.686 0.527
197 2HB LEU 26 2HB LEU 26 15.294 -0.893 -0.233
198 HG LEU 26 HG LEU 26 14.296 -3.588 -1.130
199 1HD1 LEU 26 1HD1 LEU 26 12.687 -1.465 -1.224
200 2HD1 LEU 26 2HD1 LEU 26 13.632 -1.158 -2.681
201 3HD1 LEU 26 3HD1 LEU 26 12.748 -2.673 -2.507
202 1HD2 LEU 26 1HD2 LEU 26 16.176 -1.523 -2.222
203 2HD2 LEU 26 2HD2 LEU 26 16.449 -3.245 -1.959
204 3HD2 LEU 26 3HD2 LEU 26 15.402 -2.709 -3.273
205 H GLU 27 H GLU 27 14.412 -1.650 2.797
206 HA GLU 27 HA GLU 27 16.492 0.131 3.786
207 1HB GLU 27 1HB GLU 27 14.719 1.029 5.246
208 2HB GLU 27 2HB GLU 27 14.253 1.051 3.552
209 1HG GLU 27 1HG GLU 27 12.450 -0.152 3.979
210 2HG GLU 27 2HG GLU 27 13.419 -1.412 4.741
211 H HIS 28 H HIS 28 17.556 -2.142 4.271
212 HA HIS 28 HA HIS 28 16.772 -3.697 6.431
213 1HB HIS 28 1HB HIS 28 18.733 -3.995 4.746
214 2HB HIS 28 2HB HIS 28 19.671 -3.094 5.933
215 HD1 HIS 28 HD1 HIS 28 18.490 -6.470 5.162
216 HD2 HIS 28 HD2 HIS 28 19.769 -4.391 8.524
217 HE1 HIS 28 HE1 HIS 28 19.054 -8.215 6.904
218 H GLU 29 H GLU 29 18.370 -0.588 6.371
219 HA GLU 29 HA GLU 29 19.187 -0.582 9.094
220 1HB GLU 29 1HB GLU 29 19.248 1.243 6.841
221 2HB GLU 29 2HB GLU 29 18.832 2.082 8.329
222 1HG GLU 29 1HG GLU 29 21.117 0.204 8.422
223 2HG GLU 29 2HG GLU 29 21.337 1.717 7.545
224 H GLY 30 H GLY 30 16.185 0.048 7.489
225 1HA GLY 30 1HA GLY 30 15.043 1.544 9.682
226 2HA GLY 30 2HA GLY 30 14.200 0.992 8.242
227 1HN NH2 31 1HN NH2 31 14.482 -1.671 8.282
228 2HN NH2 31 2HN NH2 31 13.761 -2.351 9.698
229 1H ACE 0 1H ACE 0 -17.667 -2.312 4.077
230 2H ACE 0 2H ACE 0 -18.695 -3.455 3.211
231 3H ACE 0 3H ACE 0 -19.404 -2.335 4.375
232 H GLU 1 H GLU 1 -19.660 -0.147 3.807
233 HA GLU 1 HA GLU 1 -19.796 0.310 0.941
234 1HB GLU 1 1HB GLU 1 -20.711 2.193 3.109
235 2HB GLU 1 2HB GLU 1 -21.239 2.138 1.433
236 1HG GLU 1 1HG GLU 1 -21.725 -0.372 2.777
237 2HG GLU 1 2HG GLU 1 -22.485 0.978 3.619
238 H VAL 2 H VAL 2 -19.637 3.134 0.976
239 HA VAL 2 HA VAL 2 -17.142 3.706 0.205
240 HB VAL 2 HB VAL 2 -18.828 5.622 1.807
241 1HG1 VAL 2 1HG1 VAL 2 -16.264 5.974 0.869
242 2HG1 VAL 2 2HG1 VAL 2 -17.259 6.677 -0.407
243 3HG1 VAL 2 3HG1 VAL 2 -17.412 7.257 1.252
244 1HG2 VAL 2 1HG2 VAL 2 -18.952 4.711 -1.039
245 2HG2 VAL 2 2HG2 VAL 2 -20.259 4.912 0.128
246 3HG2 VAL 2 3HG2 VAL 2 -19.493 6.329 -0.589
247 H GLN 3 H GLN 3 -17.975 5.074 3.338
248 HA GLN 3 HA GLN 3 -15.353 5.270 4.241
249 1HB GLN 3 1HB GLN 3 -18.037 5.491 5.468
250 2HB GLN 3 2HB GLN 3 -16.701 5.206 6.574
251 1HG GLN 3 1HG GLN 3 -15.646 7.206 6.006
252 2HG GLN 3 2HG GLN 3 -16.589 7.387 4.528
253 1HE2 GLN 3 2HE2 GLN 3 -16.161 9.106 6.959
254 2HE2 GLN 3 1HE2 GLN 3 -17.755 9.531 7.471
255 H ALA 4 H ALA 4 -17.728 2.700 4.692
256 HA ALA 4 HA ALA 4 -16.426 1.203 6.639
257 1HB ALA 4 1HB ALA 4 -18.739 0.918 5.322
258 2HB ALA 4 2HB ALA 4 -17.783 -0.325 4.515
259 3HB ALA 4 3HB ALA 4 -17.995 -0.374 6.264
260 H LEU 5 H LEU 5 -15.691 1.546 3.254
261 HA LEU 5 HA LEU 5 -13.624 -0.551 3.498
262 1HB LEU 5 1HB LEU 5 -15.284 0.428 1.241
263 2HB LEU 5 2HB LEU 5 -13.654 -0.067 0.868
264 HG LEU 5 HG LEU 5 -15.376 -1.930 2.433
265 1HD1 LEU 5 1HD1 LEU 5 -16.631 -0.956 0.393
266 2HD1 LEU 5 2HD1 LEU 5 -15.500 -1.921 -0.555
267 3HD1 LEU 5 3HD1 LEU 5 -16.571 -2.705 0.607
268 1HD2 LEU 5 1HD2 LEU 5 -12.878 -2.185 1.733
269 2HD2 LEU 5 2HD2 LEU 5 -13.974 -3.560 1.602
270 3HD2 LEU 5 3HD2 LEU 5 -13.560 -2.623 0.167
271 H LYS 6 H LYS 6 -14.323 2.618 2.171
272 HA LYS 6 HA LYS 6 -11.937 3.508 1.246
273 1HB LYS 6 1HB LYS 6 -13.887 4.870 1.083
274 2HB LYS 6 2HB LYS 6 -14.088 4.895 2.825
275 1HG LYS 6 1HG LYS 6 -13.143 6.918 2.707
276 2HG LYS 6 2HG LYS 6 -11.622 6.043 2.529
277 1HD LYS 6 1HD LYS 6 -11.398 7.206 0.626
278 2HD LYS 6 2HD LYS 6 -12.571 6.065 -0.034
279 1HE LYS 6 1HE LYS 6 -14.298 7.763 0.997
280 2HE LYS 6 2HE LYS 6 -12.946 8.884 0.847
281 1HZ LYS 6 1HZ LYS 6 -13.874 7.219 -1.417
282 2HZ LYS 6 2HZ LYS 6 -14.520 8.751 -1.100
283 3HZ LYS 6 3HZ LYS 6 -12.876 8.585 -1.465
284 H LYS 7 H LYS 7 -12.940 3.193 4.592
285 HA LYS 7 HA LYS 7 -10.554 4.432 5.633
286 1HB LYS 7 1HB LYS 7 -12.825 2.934 6.940
287 2HB LYS 7 2HB LYS 7 -11.477 3.624 7.834
288 1HG LYS 7 1HG LYS 7 -12.158 5.788 7.460
289 2HG LYS 7 2HG LYS 7 -13.064 5.362 6.005
290 1HD LYS 7 1HD LYS 7 -14.721 5.798 7.595
291 2HD LYS 7 2HD LYS 7 -14.594 4.038 7.584
292 1HE LYS 7 1HE LYS 7 -14.260 4.113 9.779
293 2HE LYS 7 2HE LYS 7 -12.720 4.910 9.467
294 1HZ LYS 7 1HZ LYS 7 -15.062 6.626 9.414
295 2HZ LYS 7 2HZ LYS 7 -14.665 5.984 10.928
296 3HZ LYS 7 3HZ LYS 7 -13.529 6.904 10.075
297 H ARG 8 H ARG 8 -11.810 1.181 5.155
298 HA ARG 8 HA ARG 8 -9.745 -0.154 6.559
299 1HB ARG 8 1HB ARG 8 -10.911 -2.026 6.106
300 2HB ARG 8 2HB ARG 8 -12.148 -0.909 5.566
301 1HG ARG 8 1HG ARG 8 -12.094 -1.759 3.521
302 2HG ARG 8 2HG ARG 8 -10.358 -1.478 3.394
303 1HD ARG 8 1HD ARG 8 -10.059 -3.681 3.452
304 2HD ARG 8 2HD ARG 8 -10.627 -3.661 5.120
305 HE ARG 8 HE ARG 8 -12.679 -3.792 3.074
306 1HH1 ARG 8 1HH1 ARG 8 -10.663 -5.559 5.313
307 2HH1 ARG 8 2HH1 ARG 8 -11.704 -6.940 5.351
308 1HH2 ARG 8 1HH2 ARG 8 -14.047 -5.610 3.127
309 2HH2 ARG 8 2HH2 ARG 8 -13.623 -6.971 4.111
310 H VAL 9 H VAL 9 -10.065 1.018 3.286
311 HA VAL 9 HA VAL 9 -7.968 -0.396 2.058
312 HB VAL 9 HB VAL 9 -9.159 2.337 1.534
313 1HG1 VAL 9 1HG1 VAL 9 -6.637 1.915 0.760
314 2HG1 VAL 9 2HG1 VAL 9 -7.468 1.122 -0.576
315 3HG1 VAL 9 3HG1 VAL 9 -7.793 2.815 -0.215
316 1HG2 VAL 9 1HG2 VAL 9 -9.385 -0.337 0.177
317 2HG2 VAL 9 2HG2 VAL 9 -10.649 0.572 1.007
318 3HG2 VAL 9 3HG2 VAL 9 -9.994 1.164 -0.520
319 H GLN 10 H GLN 10 -8.016 2.505 4.045
320 HA GLN 10 HA GLN 10 -5.410 3.384 3.641
321 1HB GLN 10 1HB GLN 10 -6.958 3.476 6.237
322 2HB GLN 10 2HB GLN 10 -5.607 4.509 5.790
323 1HG GLN 10 1HG GLN 10 -7.949 4.494 3.983
324 2HG GLN 10 2HG GLN 10 -8.142 5.265 5.557
325 1HE2 GLN 10 2HE2 GLN 10 -8.240 6.562 3.035
326 2HE2 GLN 10 1HE2 GLN 10 -6.940 7.697 2.978
327 H ALA 11 H ALA 11 -6.600 1.318 6.296
328 HA ALA 11 HA ALA 11 -4.309 0.723 7.581
329 1HB ALA 11 1HB ALA 11 -6.818 -0.270 7.684
330 2HB ALA 11 2HB ALA 11 -5.937 -1.671 7.075
331 3HB ALA 11 3HB ALA 11 -5.456 -0.923 8.598
332 H LEU 12 H LEU 12 -5.166 -0.432 4.396
333 HA LEU 12 HA LEU 12 -2.840 -2.208 4.366
334 1HB LEU 12 1HB LEU 12 -4.492 -1.841 1.924
335 2HB LEU 12 2HB LEU 12 -3.770 -3.274 2.567
336 HG LEU 12 HG LEU 12 -6.185 -2.015 3.835
337 1HD1 LEU 12 1HD1 LEU 12 -5.974 -3.676 1.416
338 2HD1 LEU 12 2HD1 LEU 12 -7.167 -4.202 2.603
339 3HD1 LEU 12 3HD1 LEU 12 -7.248 -2.573 1.933
340 1HD2 LEU 12 1HD2 LEU 12 -4.676 -4.561 4.164
341 2HD2 LEU 12 2HD2 LEU 12 -5.331 -3.471 5.386
342 3HD2 LEU 12 3HD2 LEU 12 -6.411 -4.532 4.483
343 H LYS 13 H LYS 13 -4.135 -0.164 1.801
344 HA LYS 13 HA LYS 13 -1.804 0.459 0.549
345 1HB LYS 13 1HB LYS 13 -4.278 0.797 -0.011
346 2HB LYS 13 2HB LYS 13 -4.078 2.345 0.668
347 1HG LYS 13 1HG LYS 13 -3.789 2.561 -1.657
348 2HG LYS 13 2HG LYS 13 -2.195 2.719 -0.909
349 1HD LYS 13 1HD LYS 13 -1.459 0.791 -1.772
350 2HD LYS 13 2HD LYS 13 -3.000 -0.015 -1.595
351 1HE LYS 13 1HE LYS 13 -3.887 1.120 -3.532
352 2HE LYS 13 2HE LYS 13 -2.399 2.049 -3.704
353 1HZ LYS 13 1HZ LYS 13 -2.605 -0.902 -3.951
354 2HZ LYS 13 2HZ LYS 13 -2.507 0.177 -5.248
355 3HZ LYS 13 3HZ LYS 13 -1.206 0.021 -4.179
356 H ALA 14 H ALA 14 -3.366 2.161 3.254
357 HA ALA 14 HA ALA 14 -2.092 4.543 2.994
358 1HB ALA 14 1HB ALA 14 -3.778 3.996 4.763
359 2HB ALA 14 2HB ALA 14 -2.480 3.231 5.681
360 3HB ALA 14 3HB ALA 14 -2.415 4.958 5.330
361 H ARG 15 H ARG 15 -0.825 1.512 4.064
362 HA ARG 15 HA ARG 15 1.750 2.645 4.800
363 1HB ARG 15 1HB ARG 15 0.586 0.718 6.041
364 2HB ARG 15 2HB ARG 15 1.058 -0.284 4.677
365 1HG ARG 15 1HG ARG 15 2.787 -0.662 6.125
366 2HG ARG 15 2HG ARG 15 3.437 0.670 5.167
367 1HD ARG 15 1HD ARG 15 3.025 2.236 6.866
368 2HD ARG 15 2HD ARG 15 1.930 1.148 7.719
369 HE ARG 15 HE ARG 15 3.737 0.176 8.741
370 1HH1 ARG 15 1HH1 ARG 15 4.853 2.128 6.070
371 2HH1 ARG 15 2HH1 ARG 15 6.525 1.974 6.495
372 1HH2 ARG 15 1HH2 ARG 15 5.936 -0.027 9.300
373 2HH2 ARG 15 2HH2 ARG 15 7.140 0.751 8.327
374 H ASN 16 H ASN 16 0.174 0.942 2.176
375 HA ASN 16 HA ASN 16 2.569 0.131 0.851
376 1HB ASN 16 1HB ASN 16 0.585 -1.093 0.391
377 2HB ASN 16 2HB ASN 16 -0.310 0.362 0.001
378 1HD2 ASN 16 2HD2 ASN 16 -0.806 -1.075 -1.870
379 2HD2 ASN 16 1HD2 ASN 16 0.231 -0.958 -3.244
380 H TYR 17 H TYR 17 0.223 2.747 0.245
381 HA TYR 17 HA TYR 17 1.352 3.915 -1.960
382 1HB TYR 17 1HB TYR 17 -0.759 4.688 -1.044
383 2HB TYR 17 2HB TYR 17 0.049 5.289 0.400
384 HD1 TYR 17 HD1 TYR 17 -0.491 5.855 -3.197
385 HD2 TYR 17 HD2 TYR 17 1.209 7.391 0.388
386 HE1 TYR 17 HE1 TYR 17 -0.190 8.041 -4.282
387 HE2 TYR 17 HE2 TYR 17 1.513 9.581 -0.687
388 HH TYR 17 HH TYR 17 1.280 10.050 -4.004
389 H ALA 18 H ALA 18 2.508 3.984 1.323
390 HA ALA 18 HA ALA 18 4.344 6.151 0.929
391 1HB ALA 18 1HB ALA 18 3.400 5.557 3.144
392 2HB ALA 18 2HB ALA 18 4.352 4.071 3.113
393 3HB ALA 18 3HB ALA 18 5.162 5.639 3.133
394 H LEU 19 H LEU 19 4.695 2.607 1.184
395 HA LEU 19 HA LEU 19 7.477 2.569 0.764
396 1HB LEU 19 1HB LEU 19 5.855 0.310 -0.281
397 2HB LEU 19 2HB LEU 19 7.330 0.285 0.660
398 HG LEU 19 HG LEU 19 4.517 0.666 1.648
399 1HD1 LEU 19 1HD1 LEU 19 5.672 -1.623 1.238
400 2HD1 LEU 19 2HD1 LEU 19 6.545 -1.240 2.722
401 3HD1 LEU 19 3HD1 LEU 19 4.785 -1.345 2.736
402 1HD2 LEU 19 1HD2 LEU 19 7.072 1.536 2.851
403 2HD2 LEU 19 2HD2 LEU 19 5.440 2.165 3.074
404 3HD2 LEU 19 3HD2 LEU 19 5.942 0.698 3.913
405 H LYS 20 H LYS 20 4.814 1.937 -1.508
406 HA LYS 20 HA LYS 20 6.113 1.533 -3.850
407 1HB LYS 20 1HB LYS 20 3.529 2.020 -3.161
408 2HB LYS 20 2HB LYS 20 3.902 3.471 -4.082
409 1HG LYS 20 1HG LYS 20 3.887 2.377 -6.029
410 2HG LYS 20 2HG LYS 20 4.794 1.012 -5.377
411 1HD LYS 20 1HD LYS 20 2.541 0.477 -4.160
412 2HD LYS 20 2HD LYS 20 1.844 1.483 -5.431
413 1HE LYS 20 1HE LYS 20 3.757 -0.475 -6.436
414 2HE LYS 20 2HE LYS 20 2.384 -1.211 -5.611
415 1HZ LYS 20 1HZ LYS 20 1.137 0.583 -7.117
416 2HZ LYS 20 2HZ LYS 20 2.471 0.268 -8.109
417 3HZ LYS 20 3HZ LYS 20 1.452 -0.996 -7.633
418 H GLN 21 H GLN 21 5.889 4.543 -2.115
419 HA GLN 21 HA GLN 21 6.928 6.104 -4.316
420 1HB GLN 21 1HB GLN 21 5.275 7.089 -2.819
421 2HB GLN 21 2HB GLN 21 6.345 6.842 -1.447
422 1HG GLN 21 1HG GLN 21 7.994 8.316 -2.819
423 2HG GLN 21 2HG GLN 21 6.533 8.823 -3.667
424 1HE2 GLN 21 2HE2 GLN 21 5.007 10.049 -2.598
425 2HE2 GLN 21 1HE2 GLN 21 5.313 10.799 -1.073
426 H LYS 22 H LYS 22 8.080 4.863 -1.207
427 HA LYS 22 HA LYS 22 10.697 6.053 -1.621
428 1HB LYS 22 1HB LYS 22 11.220 5.185 0.607
429 2HB LYS 22 2HB LYS 22 9.733 6.124 0.610
430 1HG LYS 22 1HG LYS 22 8.610 4.421 1.459
431 2HG LYS 22 2HG LYS 22 9.107 3.384 0.121
432 1HD LYS 22 1HD LYS 22 9.855 2.328 2.109
433 2HD LYS 22 2HD LYS 22 11.281 3.035 1.347
434 1HE LYS 22 1HE LYS 22 11.570 3.668 3.541
435 2HE LYS 22 2HE LYS 22 10.742 5.075 2.874
436 1HZ LYS 22 1HZ LYS 22 8.641 4.117 3.715
437 2HZ LYS 22 2HZ LYS 22 9.525 2.884 4.465
438 3HZ LYS 22 3HZ LYS 22 9.737 4.490 4.947
439 H VAL 23 H VAL 23 9.261 3.190 -2.623
440 HA VAL 23 HA VAL 23 11.013 1.157 -2.104
441 HB VAL 23 HB VAL 23 9.986 1.591 -4.903
442 1HG1 VAL 23 1HG1 VAL 23 11.572 -0.314 -4.271
443 2HG1 VAL 23 2HG1 VAL 23 10.208 -0.986 -3.379
444 3HG1 VAL 23 3HG1 VAL 23 10.086 -0.739 -5.121
445 1HG2 VAL 23 1HG2 VAL 23 8.496 0.842 -2.422
446 2HG2 VAL 23 2HG2 VAL 23 8.029 1.929 -3.727
447 3HG2 VAL 23 3HG2 VAL 23 8.008 0.186 -3.985
448 H GLN 24 H GLN 24 11.293 3.271 -4.971
449 HA GLN 24 HA GLN 24 13.862 2.363 -5.688
450 1HB GLN 24 1HB GLN 24 12.817 5.102 -6.359
451 2HB GLN 24 2HB GLN 24 13.869 4.067 -7.315
452 1HG GLN 24 1HG GLN 24 11.878 2.469 -7.438
453 2HG GLN 24 2HG GLN 24 10.918 3.833 -6.867
454 1HE2 GLN 24 2HE2 GLN 24 13.573 3.444 -9.193
455 2HE2 GLN 24 1HE2 GLN 24 12.768 4.235 -10.501
456 H ALA 25 H ALA 25 12.764 5.055 -3.694
457 HA ALA 25 HA ALA 25 15.163 6.426 -3.385
458 1HB ALA 25 1HB ALA 25 12.652 6.759 -2.436
459 2HB ALA 25 2HB ALA 25 13.491 6.253 -0.971
460 3HB ALA 25 3HB ALA 25 14.056 7.663 -1.866
461 H LEU 26 H LEU 26 14.075 3.442 -1.949
462 HA LEU 26 HA LEU 26 16.087 3.377 0.098
463 1HB LEU 26 1HB LEU 26 14.241 1.257 -0.997
464 2HB LEU 26 2HB LEU 26 15.346 0.991 0.338
465 HG LEU 26 HG LEU 26 13.003 2.887 0.291
466 1HD1 LEU 26 1HD1 LEU 26 13.557 0.355 1.824
467 2HD1 LEU 26 2HD1 LEU 26 12.195 1.435 2.121
468 3HD1 LEU 26 3HD1 LEU 26 12.334 0.596 0.576
469 1HD2 LEU 26 1HD2 LEU 26 15.327 2.648 2.122
470 2HD2 LEU 26 2HD2 LEU 26 14.395 4.070 1.653
471 3HD2 LEU 26 3HD2 LEU 26 13.739 2.936 2.834
472 H ARG 27 H ARG 27 15.538 1.247 -2.716
473 HA ARG 27 HA ARG 27 17.980 -0.043 -2.686
474 1HB ARG 27 1HB ARG 27 17.591 -0.347 -5.186
475 2HB ARG 27 2HB ARG 27 16.327 -0.924 -4.110
476 1HG ARG 27 1HG ARG 27 15.534 1.646 -4.624
477 2HG ARG 27 2HG ARG 27 16.250 1.148 -6.156
478 1HD ARG 27 1HD ARG 27 14.801 -1.048 -5.555
479 2HD ARG 27 2HD ARG 27 13.809 0.202 -4.803
480 HE ARG 27 HE ARG 27 14.290 1.206 -7.264
481 1HH1 ARG 27 1HH1 ARG 27 13.083 -1.875 -6.153
482 2HH1 ARG 27 2HH1 ARG 27 12.108 -2.140 -7.559
483 1HH2 ARG 27 1HH2 ARG 27 13.008 0.860 -9.112
484 2HH2 ARG 27 2HH2 ARG 27 12.065 -0.587 -9.240
485 H HIS 28 H HIS 28 17.231 3.173 -3.751
486 HA HIS 28 HA HIS 28 19.615 3.536 -5.302
487 1HB HIS 28 1HB HIS 28 17.323 5.204 -4.456
488 2HB HIS 28 2HB HIS 28 18.831 6.067 -4.732
489 HD1 HIS 28 HD1 HIS 28 19.958 4.956 -7.222
490 HD2 HIS 28 HD2 HIS 28 15.859 5.355 -6.678
491 HE1 HIS 28 HE1 HIS 28 18.935 4.997 -9.535
492 H LYS 29 H LYS 29 18.540 4.753 -2.128
493 HA LYS 29 HA LYS 29 21.207 5.692 -1.513
494 1HB LYS 29 1HB LYS 29 18.591 6.306 -0.635
495 2HB LYS 29 2HB LYS 29 19.460 5.702 0.769
496 1HG LYS 29 1HG LYS 29 20.772 7.515 0.897
497 2HG LYS 29 2HG LYS 29 20.947 7.640 -0.856
498 1HD LYS 29 1HD LYS 29 18.426 8.393 0.608
499 2HD LYS 29 2HD LYS 29 19.720 9.541 0.263
500 1HE LYS 29 1HE LYS 29 19.143 8.168 -2.143
501 2HE LYS 29 2HE LYS 29 17.604 8.654 -1.435
502 1HZ LYS 29 1HZ LYS 29 18.969 10.893 -1.124
503 2HZ LYS 29 2HZ LYS 29 19.759 10.298 -2.498
504 3HZ LYS 29 3HZ LYS 29 18.086 10.552 -2.527
505 H GLY 30 H GLY 30 22.707 4.657 -0.345
506 1HA GLY 30 1HA GLY 30 22.133 2.736 1.661
507 2HA GLY 30 2HA GLY 30 22.580 1.926 0.166
508 1HN NH2 31 1HN NH2 31 23.781 2.820 3.004
509 2HN NH2 31 2HN NH2 31 25.429 3.122 2.583
Start of MODEL 7
1 1H ACE 0 1H ACE 0 -20.374 6.261 -3.695
2 2H ACE 0 2H ACE 0 -20.082 5.826 -2.011
3 3H ACE 0 3H ACE 0 -21.687 6.355 -2.520
4 H GLU 1 H GLU 1 -19.707 4.225 -4.462
5 HA GLU 1 HA GLU 1 -21.753 2.169 -4.281
6 1HB GLU 1 1HB GLU 1 -19.591 2.865 -6.177
7 2HB GLU 1 2HB GLU 1 -19.938 1.149 -6.008
8 1HG GLU 1 1HG GLU 1 -21.170 2.225 -7.850
9 2HG GLU 1 2HG GLU 1 -22.222 1.485 -6.644
10 H VAL 2 H VAL 2 -20.996 -0.133 -4.208
11 HA VAL 2 HA VAL 2 -19.226 -0.447 -1.921
12 HB VAL 2 HB VAL 2 -20.842 -2.564 -3.343
13 1HG1 VAL 2 1HG1 VAL 2 -18.916 -3.300 -1.908
14 2HG1 VAL 2 2HG1 VAL 2 -19.755 -2.577 -0.536
15 3HG1 VAL 2 3HG1 VAL 2 -20.495 -3.914 -1.416
16 1HG2 VAL 2 1HG2 VAL 2 -21.558 -0.630 -1.180
17 2HG2 VAL 2 2HG2 VAL 2 -22.496 -1.142 -2.582
18 3HG2 VAL 2 3HG2 VAL 2 -22.296 -2.232 -1.210
19 H ALA 3 H ALA 3 -19.555 -1.788 -5.204
20 HA ALA 3 HA ALA 3 -17.282 -3.391 -5.207
21 1HB ALA 3 1HB ALA 3 -18.629 -1.940 -7.477
22 2HB ALA 3 2HB ALA 3 -17.361 -3.147 -7.689
23 3HB ALA 3 3HB ALA 3 -18.898 -3.603 -6.954
24 H GLN 4 H GLN 4 -17.621 0.059 -5.735
25 HA GLN 4 HA GLN 4 -15.026 0.505 -6.783
26 1HB GLN 4 1HB GLN 4 -15.447 2.852 -6.367
27 2HB GLN 4 2HB GLN 4 -16.896 2.106 -7.024
28 1HG GLN 4 1HG GLN 4 -18.009 2.182 -4.975
29 2HG GLN 4 2HG GLN 4 -16.516 2.443 -4.073
30 1HE2 GLN 4 2HE2 GLN 4 -15.424 4.501 -4.387
31 2HE2 GLN 4 1HE2 GLN 4 -16.368 5.911 -4.710
32 H LEU 5 H LEU 5 -16.277 0.144 -3.560
33 HA LEU 5 HA LEU 5 -13.863 1.173 -2.320
34 1HB LEU 5 1HB LEU 5 -16.237 -0.191 -1.050
35 2HB LEU 5 2HB LEU 5 -14.968 0.681 -0.210
36 HG LEU 5 HG LEU 5 -16.864 1.962 -2.175
37 1HD1 LEU 5 1HD1 LEU 5 -17.067 1.485 0.757
38 2HD1 LEU 5 2HD1 LEU 5 -17.697 2.989 0.085
39 3HD1 LEU 5 3HD1 LEU 5 -18.320 1.441 -0.484
40 1HD2 LEU 5 1HD2 LEU 5 -14.935 3.119 -0.167
41 2HD2 LEU 5 2HD2 LEU 5 -14.751 3.135 -1.921
42 3HD2 LEU 5 3HD2 LEU 5 -16.058 4.044 -1.163
43 H GLU 6 H GLU 6 -15.538 -1.941 -2.637
44 HA GLU 6 HA GLU 6 -13.775 -3.506 -1.159
45 1HB GLU 6 1HB GLU 6 -15.189 -4.461 -3.642
46 2HB GLU 6 2HB GLU 6 -14.750 -5.396 -2.219
47 1HG GLU 6 1HG GLU 6 -16.370 -3.405 -1.209
48 2HG GLU 6 2HG GLU 6 -17.120 -3.812 -2.751
49 H LYS 7 H LYS 7 -13.823 -3.060 -4.701
50 HA LYS 7 HA LYS 7 -11.470 -4.478 -5.224
51 1HB LYS 7 1HB LYS 7 -12.652 -2.166 -6.774
52 2HB LYS 7 2HB LYS 7 -11.444 -3.291 -7.382
53 1HG LYS 7 1HG LYS 7 -13.129 -5.126 -6.941
54 2HG LYS 7 2HG LYS 7 -14.314 -3.842 -6.699
55 1HD LYS 7 1HD LYS 7 -12.674 -4.291 -9.192
56 2HD LYS 7 2HD LYS 7 -14.380 -4.694 -8.990
57 1HE LYS 7 1HE LYS 7 -14.515 -2.656 -10.053
58 2HE LYS 7 2HE LYS 7 -14.609 -2.174 -8.360
59 1HZ LYS 7 1HZ LYS 7 -11.923 -2.318 -9.398
60 2HZ LYS 7 2HZ LYS 7 -12.885 -1.154 -10.158
61 3HZ LYS 7 3HZ LYS 7 -12.665 -1.107 -8.482
62 H GLU 8 H GLU 8 -11.971 -1.219 -4.103
63 HA GLU 8 HA GLU 8 -9.507 -0.092 -4.775
64 1HB GLU 8 1HB GLU 8 -11.585 1.023 -3.775
65 2HB GLU 8 2HB GLU 8 -10.947 0.533 -2.212
66 1HG GLU 8 1HG GLU 8 -8.877 1.777 -2.708
67 2HG GLU 8 2HG GLU 8 -9.598 2.321 -4.222
68 H VAL 9 H VAL 9 -10.348 -2.411 -2.343
69 HA VAL 9 HA VAL 9 -7.939 -2.035 -0.796
70 HB VAL 9 HB VAL 9 -9.952 -4.289 -0.699
71 1HG1 VAL 9 1HG1 VAL 9 -7.402 -4.139 0.430
72 2HG1 VAL 9 2HG1 VAL 9 -8.516 -3.771 1.747
73 3HG1 VAL 9 3HG1 VAL 9 -8.686 -5.275 0.841
74 1HG2 VAL 9 1HG2 VAL 9 -10.549 -1.764 -0.139
75 2HG2 VAL 9 2HG2 VAL 9 -11.186 -3.109 0.804
76 3HG2 VAL 9 3HG2 VAL 9 -9.799 -2.197 1.398
77 H ALA 10 H ALA 10 -9.234 -4.668 -2.832
78 HA ALA 10 HA ALA 10 -6.985 -6.294 -2.844
79 1HB ALA 10 1HB ALA 10 -9.168 -6.973 -3.737
80 2HB ALA 10 2HB ALA 10 -8.941 -5.883 -5.105
81 3HB ALA 10 3HB ALA 10 -7.868 -7.267 -4.892
82 H GLN 11 H GLN 11 -7.582 -3.299 -4.471
83 HA GLN 11 HA GLN 11 -5.622 -3.516 -6.504
84 1HB GLN 11 1HB GLN 11 -7.440 -1.865 -6.585
85 2HB GLN 11 2HB GLN 11 -6.771 -1.052 -5.177
86 1HG GLN 11 1HG GLN 11 -4.935 -1.396 -7.452
87 2HG GLN 11 2HG GLN 11 -6.295 -0.306 -7.711
88 1HE2 GLN 11 2HE2 GLN 11 -6.660 1.151 -5.678
89 2HE2 GLN 11 1HE2 GLN 11 -5.239 1.952 -5.108
90 H LEU 12 H LEU 12 -5.579 -2.096 -3.246
91 HA LEU 12 HA LEU 12 -2.765 -1.450 -3.465
92 1HB LEU 12 1HB LEU 12 -4.525 -1.322 -1.018
93 2HB LEU 12 2HB LEU 12 -2.971 -0.543 -1.243
94 HG LEU 12 HG LEU 12 -5.377 0.124 -2.929
95 1HD1 LEU 12 1HD1 LEU 12 -4.432 1.380 -0.361
96 2HD1 LEU 12 2HD1 LEU 12 -5.571 2.135 -1.475
97 3HD1 LEU 12 3HD1 LEU 12 -5.993 0.622 -0.672
98 1HD2 LEU 12 1HD2 LEU 12 -2.679 1.372 -2.483
99 2HD2 LEU 12 2HD2 LEU 12 -3.401 0.828 -3.997
100 3HD2 LEU 12 3HD2 LEU 12 -4.030 2.261 -3.184
101 H GLU 13 H GLU 13 -4.786 -3.767 -1.701
102 HA GLU 13 HA GLU 13 -2.935 -4.941 -0.054
103 1HB GLU 13 1HB GLU 13 -5.380 -5.904 -1.436
104 2HB GLU 13 2HB GLU 13 -4.318 -7.130 -0.758
105 1HG GLU 13 1HG GLU 13 -4.499 -6.136 1.432
106 2HG GLU 13 2HG GLU 13 -5.462 -4.811 0.781
107 H ALA 14 H ALA 14 -3.187 -5.195 -3.514
108 HA ALA 14 HA ALA 14 -1.315 -7.409 -3.665
109 1HB ALA 14 1HB ALA 14 -3.176 -7.284 -5.253
110 2HB ALA 14 2HB ALA 14 -2.542 -5.759 -5.871
111 3HB ALA 14 3HB ALA 14 -1.617 -7.245 -6.076
112 H GLU 15 H GLU 15 -1.382 -3.934 -4.233
113 HA GLU 15 HA GLU 15 1.317 -3.855 -5.241
114 1HB GLU 15 1HB GLU 15 -0.696 -2.228 -5.702
115 2HB GLU 15 2HB GLU 15 -0.126 -1.431 -4.242
116 1HG GLU 15 1HG GLU 15 0.958 -0.272 -5.910
117 2HG GLU 15 2HG GLU 15 2.175 -1.444 -5.406
118 H ASN 16 H ASN 16 -0.281 -2.553 -2.328
119 HA ASN 16 HA ASN 16 1.937 -1.655 -0.967
120 1HB ASN 16 1HB ASN 16 -0.346 -1.250 -0.202
121 2HB ASN 16 2HB ASN 16 -0.549 -2.957 0.169
122 1HD2 ASN 16 2HD2 ASN 16 -1.146 -1.836 2.247
123 2HD2 ASN 16 1HD2 ASN 16 0.122 -1.608 3.399
124 H TYR 17 H TYR 17 0.561 -4.925 -0.961
125 HA TYR 17 HA TYR 17 2.376 -6.029 0.896
126 1HB TYR 17 1HB TYR 17 0.325 -7.187 0.448
127 2HB TYR 17 2HB TYR 17 0.690 -7.289 -1.271
128 HD1 TYR 17 HD1 TYR 17 1.582 -8.590 2.065
129 HD2 TYR 17 HD2 TYR 17 2.061 -9.038 -2.139
130 HE1 TYR 17 HE1 TYR 17 2.611 -10.794 2.424
131 HE2 TYR 17 HE2 TYR 17 3.090 -11.244 -1.792
132 HH TYR 17 HH TYR 17 3.088 -13.026 -0.060
133 H GLN 18 H GLN 18 2.407 -5.808 -2.631
134 HA GLN 18 HA GLN 18 4.609 -7.413 -3.169
135 1HB GLN 18 1HB GLN 18 3.040 -5.431 -4.566
136 2HB GLN 18 2HB GLN 18 4.740 -5.283 -4.992
137 1HG GLN 18 1HG GLN 18 3.822 -8.040 -4.979
138 2HG GLN 18 2HG GLN 18 2.925 -7.021 -6.105
139 1HE2 GLN 18 2HE2 GLN 18 4.213 -5.735 -7.619
140 2HE2 GLN 18 1HE2 GLN 18 5.693 -6.397 -8.217
141 H LEU 19 H LEU 19 4.461 -4.196 -1.849
142 HA LEU 19 HA LEU 19 7.356 -3.868 -2.138
143 1HB LEU 19 1HB LEU 19 5.300 -1.929 -1.090
144 2HB LEU 19 2HB LEU 19 6.991 -1.576 -1.385
145 HG LEU 19 HG LEU 19 5.104 -2.430 -3.573
146 1HD1 LEU 19 1HD1 LEU 19 4.881 -0.078 -2.155
147 2HD1 LEU 19 2HD1 LEU 19 5.865 0.373 -3.546
148 3HD1 LEU 19 3HD1 LEU 19 4.285 -0.369 -3.789
149 1HD2 LEU 19 1HD2 LEU 19 7.788 -2.416 -3.589
150 2HD2 LEU 19 2HD2 LEU 19 6.807 -2.069 -5.013
151 3HD2 LEU 19 3HD2 LEU 19 7.478 -0.745 -4.060
152 H GLU 20 H GLU 20 4.830 -3.898 0.358
153 HA GLU 20 HA GLU 20 6.331 -3.433 2.611
154 1HB GLU 20 1HB GLU 20 3.758 -4.068 2.196
155 2HB GLU 20 2HB GLU 20 4.329 -5.617 2.805
156 1HG GLU 20 1HG GLU 20 5.067 -4.609 4.848
157 2HG GLU 20 2HG GLU 20 4.711 -2.995 4.231
158 H GLN 21 H GLN 21 6.278 -6.278 0.615
159 HA GLN 21 HA GLN 21 7.683 -7.907 2.553
160 1HB GLN 21 1HB GLN 21 6.016 -8.515 0.488
161 2HB GLN 21 2HB GLN 21 7.584 -8.814 -0.249
162 1HG GLN 21 1HG GLN 21 7.032 -10.872 0.626
163 2HG GLN 21 2HG GLN 21 8.069 -10.187 1.878
164 1HE2 GLN 21 2HE2 GLN 21 5.329 -11.867 1.395
165 2HE2 GLN 21 1HE2 GLN 21 4.458 -11.453 2.828
166 H GLU 22 H GLU 22 8.429 -5.895 -0.192
167 HA GLU 22 HA GLU 22 11.152 -6.892 -0.377
168 1HB GLU 22 1HB GLU 22 9.843 -6.224 -2.401
169 2HB GLU 22 2HB GLU 22 9.885 -4.563 -1.826
170 1HG GLU 22 1HG GLU 22 11.810 -4.280 -2.866
171 2HG GLU 22 2HG GLU 22 12.541 -5.481 -1.803
172 H VAL 23 H VAL 23 9.401 -4.191 0.955
173 HA VAL 23 HA VAL 23 11.698 -2.557 1.451
174 HB VAL 23 HB VAL 23 9.054 -2.357 2.883
175 1HG1 VAL 23 1HG1 VAL 23 11.466 -0.811 2.852
176 2HG1 VAL 23 2HG1 VAL 23 10.129 0.159 2.236
177 3HG1 VAL 23 3HG1 VAL 23 10.013 -0.593 3.826
178 1HG2 VAL 23 1HG2 VAL 23 9.514 -2.148 0.073
179 2HG2 VAL 23 2HG2 VAL 23 8.020 -1.890 0.973
180 3HG2 VAL 23 3HG2 VAL 23 9.132 -0.547 0.709
181 H ALA 24 H ALA 24 9.870 -4.950 3.251
182 HA ALA 24 HA ALA 24 10.814 -4.499 5.822
183 1HB ALA 24 1HB ALA 24 9.004 -6.073 5.226
184 2HB ALA 24 2HB ALA 24 10.215 -7.185 4.586
185 3HB ALA 24 3HB ALA 24 10.205 -6.783 6.304
186 H GLN 25 H GLN 25 12.464 -5.792 3.071
187 HA GLN 25 HA GLN 25 14.712 -6.621 4.779
188 1HB GLN 25 1HB GLN 25 14.040 -7.401 1.938
189 2HB GLN 25 2HB GLN 25 15.491 -7.903 2.795
190 1HG GLN 25 1HG GLN 25 14.330 -9.306 4.213
191 2HG GLN 25 2HG GLN 25 12.801 -8.467 3.957
192 1HE2 GLN 25 2HE2 GLN 25 12.325 -8.443 1.410
193 2HE2 GLN 25 1HE2 GLN 25 12.326 -10.024 0.711
194 H LEU 26 H LEU 26 13.818 -4.704 1.955
195 HA LEU 26 HA LEU 26 16.377 -3.887 1.179
196 1HB LEU 26 1HB LEU 26 13.644 -2.702 0.874
197 2HB LEU 26 2HB LEU 26 15.052 -1.798 0.355
198 HG LEU 26 HG LEU 26 14.187 -4.497 -0.679
199 1HD1 LEU 26 1HD1 LEU 26 12.867 -2.528 -1.436
200 2HD1 LEU 26 2HD1 LEU 26 14.353 -1.845 -2.096
201 3HD1 LEU 26 3HD1 LEU 26 13.721 -3.364 -2.733
202 1HD2 LEU 26 1HD2 LEU 26 16.713 -2.973 -0.927
203 2HD2 LEU 26 2HD2 LEU 26 16.427 -4.714 -0.964
204 3HD2 LEU 26 3HD2 LEU 26 16.084 -3.735 -2.389
205 H GLU 27 H GLU 27 14.093 -2.397 3.458
206 HA GLU 27 HA GLU 27 16.024 -0.343 4.150
207 1HB GLU 27 1HB GLU 27 14.290 0.581 5.553
208 2HB GLU 27 2HB GLU 27 13.603 0.175 3.986
209 1HG GLU 27 1HG GLU 27 12.042 -1.014 4.994
210 2HG GLU 27 2HG GLU 27 13.284 -2.091 5.630
211 H HIS 28 H HIS 28 17.342 -2.489 4.734
212 HA HIS 28 HA HIS 28 16.820 -3.411 7.431
213 1HB HIS 28 1HB HIS 28 17.835 -4.732 5.379
214 2HB HIS 28 2HB HIS 28 19.348 -4.054 5.971
215 HD1 HIS 28 HD1 HIS 28 17.017 -6.815 6.538
216 HD2 HIS 28 HD2 HIS 28 19.928 -4.802 8.713
217 HE1 HIS 28 HE1 HIS 28 17.585 -8.299 8.505
218 H GLU 29 H GLU 29 19.750 -2.098 5.875
219 HA GLU 29 HA GLU 29 20.776 -1.192 8.403
220 1HB GLU 29 1HB GLU 29 21.949 -1.928 6.060
221 2HB GLU 29 2HB GLU 29 22.031 -0.177 5.933
222 1HG GLU 29 1HG GLU 29 24.047 -0.826 6.924
223 2HG GLU 29 2HG GLU 29 23.063 -0.196 8.244
224 H GLY 30 H GLY 30 19.252 0.317 9.139
225 1HA GLY 30 1HA GLY 30 19.568 2.960 7.935
226 2HA GLY 30 2HA GLY 30 17.930 2.335 8.061
227 1HN NH2 31 1HN NH2 31 17.906 1.143 10.488
228 2HN NH2 31 2HN NH2 31 18.183 2.304 11.735
229 1H ACE 0 1H ACE 0 -15.655 -5.064 4.731
230 2H ACE 0 2H ACE 0 -15.836 -6.178 3.375
231 3H ACE 0 3H ACE 0 -16.864 -6.347 4.799
232 H GLU 1 H GLU 1 -17.874 -3.982 5.319
233 HA GLU 1 HA GLU 1 -19.532 -3.420 3.013
234 1HB GLU 1 1HB GLU 1 -19.796 -2.003 5.639
235 2HB GLU 1 2HB GLU 1 -21.047 -2.417 4.476
236 1HG GLU 1 1HG GLU 1 -21.529 -3.989 6.011
237 2HG GLU 1 2HG GLU 1 -20.273 -4.880 5.153
238 H VAL 2 H VAL 2 -20.255 -0.807 3.384
239 HA VAL 2 HA VAL 2 -18.525 0.628 1.861
240 HB VAL 2 HB VAL 2 -20.281 1.763 4.037
241 1HG1 VAL 2 1HG1 VAL 2 -18.951 3.046 1.661
242 2HG1 VAL 2 2HG1 VAL 2 -20.293 3.783 2.535
243 3HG1 VAL 2 3HG1 VAL 2 -18.769 3.468 3.364
244 1HG2 VAL 2 1HG2 VAL 2 -20.794 0.856 1.242
245 2HG2 VAL 2 2HG2 VAL 2 -21.761 0.619 2.697
246 3HG2 VAL 2 3HG2 VAL 2 -21.729 2.195 1.907
247 H GLN 3 H GLN 3 -18.792 1.958 5.086
248 HA GLN 3 HA GLN 3 -16.204 2.938 5.188
249 1HB GLN 3 1HB GLN 3 -18.332 2.434 7.209
250 2HB GLN 3 2HB GLN 3 -16.709 2.769 7.796
251 1HG GLN 3 1HG GLN 3 -16.682 4.905 6.820
252 2HG GLN 3 2HG GLN 3 -18.094 4.554 5.823
253 1HE2 GLN 3 2HE2 GLN 3 -16.981 5.879 8.708
254 2HE2 GLN 3 1HE2 GLN 3 -18.506 6.121 9.482
255 H ALA 4 H ALA 4 -17.494 -0.164 6.224
256 HA ALA 4 HA ALA 4 -15.384 -1.113 7.750
257 1HB ALA 4 1HB ALA 4 -17.628 -2.277 6.306
258 2HB ALA 4 2HB ALA 4 -16.238 -3.358 6.417
259 3HB ALA 4 3HB ALA 4 -16.957 -2.691 7.883
260 H LEU 5 H LEU 5 -15.643 -0.755 4.291
261 HA LEU 5 HA LEU 5 -12.973 -1.980 3.977
262 1HB LEU 5 1HB LEU 5 -15.383 -1.891 2.249
263 2HB LEU 5 2HB LEU 5 -13.830 -1.823 1.451
264 HG LEU 5 HG LEU 5 -14.647 -4.017 3.356
265 1HD1 LEU 5 1HD1 LEU 5 -15.860 -3.654 1.010
266 2HD1 LEU 5 2HD1 LEU 5 -14.422 -4.506 0.446
267 3HD1 LEU 5 3HD1 LEU 5 -15.475 -5.253 1.646
268 1HD2 LEU 5 1HD2 LEU 5 -12.147 -3.301 2.592
269 2HD2 LEU 5 2HD2 LEU 5 -12.628 -4.944 3.018
270 3HD2 LEU 5 3HD2 LEU 5 -12.571 -4.452 1.325
271 H LYS 6 H LYS 6 -15.073 0.653 3.101
272 HA LYS 6 HA LYS 6 -13.413 2.178 1.495
273 1HB LYS 6 1HB LYS 6 -15.731 2.686 1.615
274 2HB LYS 6 2HB LYS 6 -15.668 2.850 3.358
275 1HG LYS 6 1HG LYS 6 -14.998 4.999 3.262
276 2HG LYS 6 2HG LYS 6 -13.958 4.720 1.864
277 1HD LYS 6 1HD LYS 6 -15.513 5.847 0.711
278 2HD LYS 6 2HD LYS 6 -16.463 4.363 0.813
279 1HE LYS 6 1HE LYS 6 -17.739 5.162 2.599
280 2HE LYS 6 2HE LYS 6 -16.570 6.426 2.986
281 1HZ LYS 6 1HZ LYS 6 -17.757 6.573 0.340
282 2HZ LYS 6 2HZ LYS 6 -18.817 6.857 1.627
283 3HZ LYS 6 3HZ LYS 6 -17.426 7.806 1.450
284 H LYS 7 H LYS 7 -13.624 1.972 4.994
285 HA LYS 7 HA LYS 7 -11.722 4.143 5.326
286 1HB LYS 7 1HB LYS 7 -12.917 2.369 7.449
287 2HB LYS 7 2HB LYS 7 -12.110 3.908 7.687
288 1HG LYS 7 1HG LYS 7 -14.864 3.333 6.750
289 2HG LYS 7 2HG LYS 7 -14.287 4.547 7.886
290 1HD LYS 7 1HD LYS 7 -14.036 4.612 4.882
291 2HD LYS 7 2HD LYS 7 -15.080 5.626 5.877
292 1HE LYS 7 1HE LYS 7 -12.466 5.916 6.892
293 2HE LYS 7 2HE LYS 7 -12.343 6.030 5.137
294 1HZ LYS 7 1HZ LYS 7 -14.289 7.647 5.341
295 2HZ LYS 7 2HZ LYS 7 -13.902 7.724 6.986
296 3HZ LYS 7 3HZ LYS 7 -12.763 8.193 5.825
297 H ARG 8 H ARG 8 -11.654 0.734 5.018
298 HA ARG 8 HA ARG 8 -9.174 0.450 6.490
299 1HB ARG 8 1HB ARG 8 -9.465 -1.832 6.354
300 2HB ARG 8 2HB ARG 8 -11.124 -1.260 6.345
301 1HG ARG 8 1HG ARG 8 -11.249 -1.559 3.945
302 2HG ARG 8 2HG ARG 8 -9.552 -2.041 3.898
303 1HD ARG 8 1HD ARG 8 -10.685 -3.700 5.812
304 2HD ARG 8 2HD ARG 8 -11.908 -3.600 4.548
305 HE ARG 8 HE ARG 8 -10.533 -4.806 3.165
306 1HH1 ARG 8 1HH1 ARG 8 -8.691 -3.675 5.904
307 2HH1 ARG 8 2HH1 ARG 8 -7.297 -4.626 5.519
308 1HH2 ARG 8 1HH2 ARG 8 -8.700 -6.061 2.659
309 2HH2 ARG 8 2HH2 ARG 8 -7.301 -5.982 3.676
310 H VAL 9 H VAL 9 -10.131 1.137 3.280
311 HA VAL 9 HA VAL 9 -7.997 -0.020 1.850
312 HB VAL 9 HB VAL 9 -9.567 2.483 1.206
313 1HG1 VAL 9 1HG1 VAL 9 -7.259 1.981 0.038
314 2HG1 VAL 9 2HG1 VAL 9 -8.224 0.825 -0.876
315 3HG1 VAL 9 3HG1 VAL 9 -8.646 2.536 -0.895
316 1HG2 VAL 9 1HG2 VAL 9 -10.399 -0.180 1.311
317 2HG2 VAL 9 2HG2 VAL 9 -11.239 1.172 0.551
318 3HG2 VAL 9 3HG2 VAL 9 -10.151 0.162 -0.401
319 H GLN 10 H GLN 10 -8.389 3.233 3.233
320 HA GLN 10 HA GLN 10 -6.047 4.407 2.414
321 1HB GLN 10 1HB GLN 10 -6.170 5.714 4.580
322 2HB GLN 10 2HB GLN 10 -7.618 5.740 3.584
323 1HG GLN 10 1HG GLN 10 -8.656 4.073 5.007
324 2HG GLN 10 2HG GLN 10 -7.192 3.977 5.986
325 1HE2 GLN 10 2HE2 GLN 10 -6.473 6.485 6.427
326 2HE2 GLN 10 1HE2 GLN 10 -7.709 7.368 7.250
327 H ALA 11 H ALA 11 -6.512 2.036 4.952
328 HA ALA 11 HA ALA 11 -3.995 2.294 6.195
329 1HB ALA 11 1HB ALA 11 -6.082 0.165 6.120
330 2HB ALA 11 2HB ALA 11 -4.509 -0.181 6.837
331 3HB ALA 11 3HB ALA 11 -5.504 1.127 7.479
332 H LEU 12 H LEU 12 -4.841 1.049 3.133
333 HA LEU 12 HA LEU 12 -2.447 -0.629 2.994
334 1HB LEU 12 1HB LEU 12 -4.253 -0.314 0.656
335 2HB LEU 12 2HB LEU 12 -3.374 -1.724 1.202
336 HG LEU 12 HG LEU 12 -5.663 -0.750 2.856
337 1HD1 LEU 12 1HD1 LEU 12 -5.919 -2.324 0.300
338 2HD1 LEU 12 2HD1 LEU 12 -7.191 -2.146 1.509
339 3HD1 LEU 12 3HD1 LEU 12 -6.598 -0.732 0.636
340 1HD2 LEU 12 1HD2 LEU 12 -4.186 -3.290 2.373
341 2HD2 LEU 12 2HD2 LEU 12 -4.673 -2.537 3.892
342 3HD2 LEU 12 3HD2 LEU 12 -5.869 -3.368 2.896
343 H LYS 13 H LYS 13 -3.899 2.233 1.535
344 HA LYS 13 HA LYS 13 -1.597 2.613 -0.196
345 1HB LYS 13 1HB LYS 13 -2.870 4.649 -0.966
346 2HB LYS 13 2HB LYS 13 -3.656 3.105 -1.254
347 1HG LYS 13 1HG LYS 13 -5.382 4.434 -0.494
348 2HG LYS 13 2HG LYS 13 -4.890 3.579 0.966
349 1HD LYS 13 1HD LYS 13 -4.266 5.469 1.984
350 2HD LYS 13 2HD LYS 13 -3.402 6.043 0.558
351 1HE LYS 13 1HE LYS 13 -6.082 6.246 -0.135
352 2HE LYS 13 2HE LYS 13 -6.028 6.762 1.550
353 1HZ LYS 13 1HZ LYS 13 -4.249 7.841 -0.565
354 2HZ LYS 13 2HZ LYS 13 -5.694 8.576 -0.084
355 3HZ LYS 13 3HZ LYS 13 -4.420 8.415 1.017
356 H ALA 14 H ALA 14 -3.022 4.086 2.676
357 HA ALA 14 HA ALA 14 -1.610 6.452 2.813
358 1HB ALA 14 1HB ALA 14 -2.407 4.615 5.066
359 2HB ALA 14 2HB ALA 14 -1.833 6.268 5.281
360 3HB ALA 14 3HB ALA 14 -3.336 5.963 4.409
361 H ARG 15 H ARG 15 -0.560 3.218 3.775
362 HA ARG 15 HA ARG 15 2.056 4.222 4.558
363 1HB ARG 15 1HB ARG 15 0.583 2.227 5.584
364 2HB ARG 15 2HB ARG 15 1.520 1.305 4.418
365 1HG ARG 15 1HG ARG 15 2.738 1.169 6.402
366 2HG ARG 15 2HG ARG 15 3.576 2.397 5.450
367 1HD ARG 15 1HD ARG 15 3.306 3.867 7.089
368 2HD ARG 15 2HD ARG 15 1.555 3.687 6.977
369 HE ARG 15 HE ARG 15 2.740 1.565 8.463
370 1HH1 ARG 15 1HH1 ARG 15 1.743 4.904 8.681
371 2HH1 ARG 15 2HH1 ARG 15 1.492 4.847 10.394
372 1HH2 ARG 15 1HH2 ARG 15 2.411 1.490 10.716
373 2HH2 ARG 15 2HH2 ARG 15 1.871 2.910 11.549
374 H ASN 16 H ASN 16 0.633 2.064 2.132
375 HA ASN 16 HA ASN 16 2.951 1.262 0.832
376 1HB ASN 16 1HB ASN 16 0.797 0.251 0.353
377 2HB ASN 16 2HB ASN 16 0.199 1.764 -0.314
378 1HD2 ASN 16 2HD2 ASN 16 -0.165 1.214 -2.373
379 2HD2 ASN 16 1HD2 ASN 16 1.033 0.613 -3.461
380 H TYR 17 H TYR 17 0.933 4.125 0.231
381 HA TYR 17 HA TYR 17 2.196 5.118 -2.012
382 1HB TYR 17 1HB TYR 17 0.195 6.174 -1.232
383 2HB TYR 17 2HB TYR 17 0.935 6.580 0.311
384 HD1 TYR 17 HD1 TYR 17 1.359 7.223 -3.344
385 HD2 TYR 17 HD2 TYR 17 1.782 8.714 0.619
386 HE1 TYR 17 HE1 TYR 17 2.036 9.408 -4.245
387 HE2 TYR 17 HE2 TYR 17 2.458 10.904 -0.272
388 HH TYR 17 HH TYR 17 2.130 11.724 -3.582
389 H ALA 18 H ALA 18 3.201 5.284 1.346
390 HA ALA 18 HA ALA 18 5.342 7.128 0.881
391 1HB ALA 18 1HB ALA 18 4.104 5.893 3.142
392 2HB ALA 18 2HB ALA 18 5.850 5.670 3.242
393 3HB ALA 18 3HB ALA 18 5.176 7.292 3.089
394 H LEU 19 H LEU 19 5.100 3.603 1.228
395 HA LEU 19 HA LEU 19 7.877 3.109 1.120
396 1HB LEU 19 1HB LEU 19 6.024 1.101 -0.045
397 2HB LEU 19 2HB LEU 19 7.380 0.876 1.037
398 HG LEU 19 HG LEU 19 4.612 1.805 1.779
399 1HD1 LEU 19 1HD1 LEU 19 5.329 -0.694 1.373
400 2HD1 LEU 19 2HD1 LEU 19 6.011 -0.520 2.990
401 3HD1 LEU 19 3HD1 LEU 19 4.289 -0.247 2.725
402 1HD2 LEU 19 1HD2 LEU 19 6.531 2.968 2.993
403 2HD2 LEU 19 2HD2 LEU 19 5.327 2.150 3.987
404 3HD2 LEU 19 3HD2 LEU 19 6.890 1.389 3.690
405 H LYS 20 H LYS 20 5.393 2.757 -1.418
406 HA LYS 20 HA LYS 20 6.866 2.096 -3.584
407 1HB LYS 20 1HB LYS 20 4.324 2.972 -3.219
408 2HB LYS 20 2HB LYS 20 5.006 4.324 -4.112
409 1HG LYS 20 1HG LYS 20 5.380 3.063 -6.003
410 2HG LYS 20 2HG LYS 20 5.419 1.543 -5.107
411 1HD LYS 20 1HD LYS 20 2.998 1.757 -4.692
412 2HD LYS 20 2HD LYS 20 2.982 3.238 -5.650
413 1HE LYS 20 1HE LYS 20 4.233 1.025 -7.056
414 2HE LYS 20 2HE LYS 20 2.573 0.664 -6.585
415 1HZ LYS 20 1HZ LYS 20 1.895 2.756 -7.649
416 2HZ LYS 20 2HZ LYS 20 3.486 3.003 -8.171
417 3HZ LYS 20 3HZ LYS 20 2.602 1.680 -8.746
418 H GLN 21 H GLN 21 6.892 5.194 -1.977
419 HA GLN 21 HA GLN 21 8.373 6.497 -4.080
420 1HB GLN 21 1HB GLN 21 6.825 7.824 -2.799
421 2HB GLN 21 2HB GLN 21 7.614 7.376 -1.294
422 1HG GLN 21 1HG GLN 21 8.906 9.159 -1.459
423 2HG GLN 21 2HG GLN 21 9.590 8.517 -2.952
424 1HE2 GLN 21 2HE2 GLN 21 6.659 10.167 -1.816
425 2HE2 GLN 21 1HE2 GLN 21 6.535 11.241 -3.164
426 H LYS 22 H LYS 22 9.073 5.190 -0.859
427 HA LYS 22 HA LYS 22 11.877 5.913 -1.107
428 1HB LYS 22 1HB LYS 22 12.078 4.976 1.174
429 2HB LYS 22 2HB LYS 22 10.857 6.237 1.052
430 1HG LYS 22 1HG LYS 22 9.322 4.870 1.865
431 2HG LYS 22 2HG LYS 22 9.623 3.718 0.563
432 1HD LYS 22 1HD LYS 22 9.936 2.668 2.740
433 2HD LYS 22 2HD LYS 22 11.459 2.741 1.853
434 1HE LYS 22 1HE LYS 22 12.088 3.423 3.971
435 2HE LYS 22 2HE LYS 22 11.819 4.957 3.145
436 1HZ LYS 22 1HZ LYS 22 9.399 4.524 4.128
437 2HZ LYS 22 2HZ LYS 22 10.311 3.723 5.305
438 3HZ LYS 22 3HZ LYS 22 10.598 5.358 4.981
439 H VAL 23 H VAL 23 9.892 3.150 -1.667
440 HA VAL 23 HA VAL 23 11.472 0.992 -1.157
441 HB VAL 23 HB VAL 23 9.794 1.421 -3.633
442 1HG1 VAL 23 1HG1 VAL 23 11.363 -0.895 -2.672
443 2HG1 VAL 23 2HG1 VAL 23 9.735 -1.234 -3.260
444 3HG1 VAL 23 3HG1 VAL 23 10.904 -0.435 -4.312
445 1HG2 VAL 23 1HG2 VAL 23 9.076 1.151 -0.926
446 2HG2 VAL 23 2HG2 VAL 23 8.016 1.109 -2.335
447 3HG2 VAL 23 3HG2 VAL 23 8.696 -0.388 -1.698
448 H GLN 24 H GLN 24 11.510 2.780 -4.251
449 HA GLN 24 HA GLN 24 13.701 1.447 -5.359
450 1HB GLN 24 1HB GLN 24 13.888 3.396 -6.870
451 2HB GLN 24 2HB GLN 24 12.236 2.809 -6.722
452 1HG GLN 24 1HG GLN 24 11.508 4.691 -5.714
453 2HG GLN 24 2HG GLN 24 13.030 4.959 -4.866
454 1HE2 GLN 24 2HE2 GLN 24 14.897 5.356 -6.545
455 2HE2 GLN 24 1HE2 GLN 24 14.547 6.581 -7.713
456 H ALA 25 H ALA 25 13.533 4.074 -3.074
457 HA ALA 25 HA ALA 25 16.232 4.934 -3.330
458 1HB ALA 25 1HB ALA 25 13.979 5.470 -1.508
459 2HB ALA 25 2HB ALA 25 15.590 5.718 -0.835
460 3HB ALA 25 3HB ALA 25 15.099 6.585 -2.291
461 H LEU 26 H LEU 26 14.617 2.469 -1.439
462 HA LEU 26 HA LEU 26 16.803 1.973 0.330
463 1HB LEU 26 1HB LEU 26 14.516 0.143 -0.398
464 2HB LEU 26 2HB LEU 26 15.568 -0.013 0.994
465 HG LEU 26 HG LEU 26 13.818 2.399 0.589
466 1HD1 LEU 26 1HD1 LEU 26 13.108 -0.317 1.500
467 2HD1 LEU 26 2HD1 LEU 26 12.514 1.023 2.481
468 3HD1 LEU 26 3HD1 LEU 26 12.107 0.936 0.767
469 1HD2 LEU 26 1HD2 LEU 26 15.564 1.328 2.730
470 2HD2 LEU 26 2HD2 LEU 26 15.247 2.996 2.252
471 3HD2 LEU 26 3HD2 LEU 26 14.066 2.118 3.223
472 H ARG 27 H ARG 27 15.448 -0.003 -2.319
473 HA ARG 27 HA ARG 27 17.450 -1.906 -2.432
474 1HB ARG 27 1HB ARG 27 16.761 -2.152 -4.869
475 2HB ARG 27 2HB ARG 27 15.489 -2.332 -3.669
476 1HG ARG 27 1HG ARG 27 15.371 0.340 -4.237
477 2HG ARG 27 2HG ARG 27 15.803 -0.361 -5.797
478 1HD ARG 27 1HD ARG 27 13.855 -2.068 -4.900
479 2HD ARG 27 2HD ARG 27 13.298 -0.508 -4.298
480 HE ARG 27 HE ARG 27 13.979 -0.077 -6.923
481 1HH1 ARG 27 1HH1 ARG 27 11.762 -2.165 -5.219
482 2HH1 ARG 27 2HH1 ARG 27 10.620 -2.222 -6.519
483 1HH2 ARG 27 1HH2 ARG 27 12.479 -0.152 -8.636
484 2HH2 ARG 27 2HH2 ARG 27 11.027 -1.080 -8.459
485 H HIS 28 H HIS 28 17.356 1.299 -3.884
486 HA HIS 28 HA HIS 28 19.566 1.041 -5.590
487 1HB HIS 28 1HB HIS 28 17.886 2.942 -5.521
488 2HB HIS 28 2HB HIS 28 18.785 3.575 -4.145
489 HD1 HIS 28 HD1 HIS 28 20.933 2.075 -6.730
490 HD2 HIS 28 HD2 HIS 28 19.296 5.799 -5.886
491 HE1 HIS 28 HE1 HIS 28 22.216 3.748 -8.127
492 H LYS 29 H LYS 29 19.421 2.441 -2.312
493 HA LYS 29 HA LYS 29 22.324 2.344 -2.130
494 1HB LYS 29 1HB LYS 29 20.894 4.293 -1.316
495 2HB LYS 29 2HB LYS 29 20.408 3.251 0.014
496 1HG LYS 29 1HG LYS 29 22.199 3.910 1.129
497 2HG LYS 29 2HG LYS 29 23.209 3.125 -0.086
498 1HD LYS 29 1HD LYS 29 22.993 5.251 -1.445
499 2HD LYS 29 2HD LYS 29 22.287 5.990 -0.006
500 1HE LYS 29 1HE LYS 29 24.445 5.016 1.144
501 2HE LYS 29 2HE LYS 29 25.077 5.070 -0.501
502 1HZ LYS 29 1HZ LYS 29 24.004 7.493 -0.309
503 2HZ LYS 29 2HZ LYS 29 24.435 7.246 1.309
504 3HZ LYS 29 3HZ LYS 29 25.611 7.157 0.097
505 H GLY 30 H GLY 30 21.512 -0.180 -2.362
506 1HA GLY 30 1HA GLY 30 21.720 -2.243 -1.375
507 2HA GLY 30 2HA GLY 30 22.478 -1.420 -0.021
508 1HN NH2 31 1HN NH2 31 19.954 -3.323 -0.886
509 2HN NH2 31 2HN NH2 31 18.857 -2.963 0.399
Start of MODEL 8
1 1H ACE 0 1H ACE 0 -22.242 0.087 -5.935
2 2H ACE 0 2H ACE 0 -23.795 0.694 -5.358
3 3H ACE 0 3H ACE 0 -23.743 -0.629 -6.522
4 H GLU 1 H GLU 1 -22.543 -2.616 -5.752
5 HA GLU 1 HA GLU 1 -23.471 -3.277 -3.078
6 1HB GLU 1 1HB GLU 1 -23.021 -5.584 -3.694
7 2HB GLU 1 2HB GLU 1 -23.969 -4.800 -4.949
8 1HG GLU 1 1HG GLU 1 -21.988 -4.529 -6.316
9 2HG GLU 1 2HG GLU 1 -20.993 -5.237 -5.044
10 H VAL 2 H VAL 2 -22.097 -4.536 -1.648
11 HA VAL 2 HA VAL 2 -19.833 -3.246 -0.818
12 HB VAL 2 HB VAL 2 -20.384 -6.199 -0.531
13 1HG1 VAL 2 1HG1 VAL 2 -18.304 -4.440 0.532
14 2HG1 VAL 2 2HG1 VAL 2 -19.154 -5.364 1.772
15 3HG1 VAL 2 3HG1 VAL 2 -18.362 -6.200 0.437
16 1HG2 VAL 2 1HG2 VAL 2 -21.561 -3.802 0.722
17 2HG2 VAL 2 2HG2 VAL 2 -22.249 -5.406 0.467
18 3HG2 VAL 2 3HG2 VAL 2 -21.148 -5.123 1.816
19 H ALA 3 H ALA 3 -19.990 -6.108 -2.915
20 HA ALA 3 HA ALA 3 -17.329 -6.678 -3.228
21 1HB ALA 3 1HB ALA 3 -19.746 -7.061 -4.860
22 2HB ALA 3 2HB ALA 3 -18.212 -7.185 -5.722
23 3HB ALA 3 3HB ALA 3 -18.531 -8.225 -4.333
24 H GLN 4 H GLN 4 -19.100 -3.978 -4.527
25 HA GLN 4 HA GLN 4 -17.276 -3.246 -6.561
26 1HB GLN 4 1HB GLN 4 -19.231 -1.547 -5.003
27 2HB GLN 4 2HB GLN 4 -18.392 -1.036 -6.460
28 1HG GLN 4 1HG GLN 4 -20.014 -3.526 -6.546
29 2HG GLN 4 2HG GLN 4 -20.838 -1.968 -6.552
30 1HE2 GLN 4 2HE2 GLN 4 -19.755 -0.363 -8.134
31 2HE2 GLN 4 1HE2 GLN 4 -19.437 -0.990 -9.712
32 H LEU 5 H LEU 5 -17.303 -2.804 -3.122
33 HA LEU 5 HA LEU 5 -15.030 -0.950 -3.297
34 1HB LEU 5 1HB LEU 5 -16.760 -1.654 -0.926
35 2HB LEU 5 2HB LEU 5 -15.451 -0.489 -0.923
36 HG LEU 5 HG LEU 5 -18.015 -0.254 -2.494
37 1HD1 LEU 5 1HD1 LEU 5 -17.108 0.731 0.141
38 2HD1 LEU 5 2HD1 LEU 5 -18.009 1.858 -0.873
39 3HD1 LEU 5 3HD1 LEU 5 -18.725 0.311 -0.421
40 1HD2 LEU 5 1HD2 LEU 5 -15.461 1.234 -2.551
41 2HD2 LEU 5 2HD2 LEU 5 -16.653 0.972 -3.824
42 3HD2 LEU 5 3HD2 LEU 5 -16.942 2.191 -2.583
43 H GLU 6 H GLU 6 -16.057 -4.069 -2.066
44 HA GLU 6 HA GLU 6 -14.023 -4.760 -0.366
45 1HB GLU 6 1HB GLU 6 -15.611 -6.361 -2.344
46 2HB GLU 6 2HB GLU 6 -14.342 -7.129 -1.401
47 1HG GLU 6 1HG GLU 6 -16.379 -5.512 0.030
48 2HG GLU 6 2HG GLU 6 -16.840 -7.097 -0.588
49 H LYS 7 H LYS 7 -13.912 -4.428 -3.827
50 HA LYS 7 HA LYS 7 -11.340 -5.710 -4.084
51 1HB LYS 7 1HB LYS 7 -12.668 -3.970 -6.152
52 2HB LYS 7 2HB LYS 7 -11.508 -5.267 -6.405
53 1HG LYS 7 1HG LYS 7 -13.083 -6.921 -6.108
54 2HG LYS 7 2HG LYS 7 -14.155 -5.879 -5.171
55 1HD LYS 7 1HD LYS 7 -13.607 -5.653 -8.128
56 2HD LYS 7 2HD LYS 7 -15.065 -6.329 -7.396
57 1HE LYS 7 1HE LYS 7 -15.904 -4.263 -7.573
58 2HE LYS 7 2HE LYS 7 -14.878 -3.874 -6.191
59 1HZ LYS 7 1HZ LYS 7 -13.186 -3.607 -8.275
60 2HZ LYS 7 2HZ LYS 7 -14.640 -3.058 -8.942
61 3HZ LYS 7 3HZ LYS 7 -14.026 -2.333 -7.542
62 H GLU 8 H GLU 8 -12.608 -2.461 -3.768
63 HA GLU 8 HA GLU 8 -10.421 -0.965 -4.585
64 1HB GLU 8 1HB GLU 8 -12.711 -0.144 -3.827
65 2HB GLU 8 2HB GLU 8 -12.095 -0.253 -2.183
66 1HG GLU 8 1HG GLU 8 -10.796 1.574 -2.406
67 2HG GLU 8 2HG GLU 8 -10.416 1.232 -4.093
68 H VAL 9 H VAL 9 -10.900 -2.873 -1.727
69 HA VAL 9 HA VAL 9 -8.596 -1.795 -0.346
70 HB VAL 9 HB VAL 9 -10.315 -4.203 0.291
71 1HG1 VAL 9 1HG1 VAL 9 -7.998 -4.307 1.213
72 2HG1 VAL 9 2HG1 VAL 9 -8.331 -2.808 2.080
73 3HG1 VAL 9 3HG1 VAL 9 -9.265 -4.261 2.439
74 1HG2 VAL 9 1HG2 VAL 9 -11.509 -2.056 0.395
75 2HG2 VAL 9 2HG2 VAL 9 -11.333 -2.798 1.985
76 3HG2 VAL 9 3HG2 VAL 9 -10.295 -1.450 1.520
77 H ALA 10 H ALA 10 -9.509 -4.807 -1.986
78 HA ALA 10 HA ALA 10 -7.064 -6.151 -1.644
79 1HB ALA 10 1HB ALA 10 -9.465 -6.853 -2.656
80 2HB ALA 10 2HB ALA 10 -8.535 -6.677 -4.143
81 3HB ALA 10 3HB ALA 10 -7.991 -7.791 -2.890
82 H GLN 11 H GLN 11 -8.157 -3.752 -3.933
83 HA GLN 11 HA GLN 11 -6.304 -3.983 -5.966
84 1HB GLN 11 1HB GLN 11 -8.178 -2.414 -6.039
85 2HB GLN 11 2HB GLN 11 -7.447 -1.456 -4.761
86 1HG GLN 11 1HG GLN 11 -5.550 -1.744 -6.857
87 2HG GLN 11 2HG GLN 11 -7.087 -1.240 -7.556
88 1HE2 GLN 11 2HE2 GLN 11 -8.107 0.313 -5.538
89 2HE2 GLN 11 1HE2 GLN 11 -7.114 1.711 -5.324
90 H LEU 12 H LEU 12 -6.004 -1.717 -3.213
91 HA LEU 12 HA LEU 12 -3.286 -1.153 -3.701
92 1HB LEU 12 1HB LEU 12 -4.845 -0.890 -1.135
93 2HB LEU 12 2HB LEU 12 -3.278 -0.172 -1.448
94 HG LEU 12 HG LEU 12 -5.753 0.485 -3.039
95 1HD1 LEU 12 1HD1 LEU 12 -5.942 1.095 -0.638
96 2HD1 LEU 12 2HD1 LEU 12 -4.493 2.074 -0.822
97 3HD1 LEU 12 3HD1 LEU 12 -5.946 2.479 -1.731
98 1HD2 LEU 12 1HD2 LEU 12 -3.039 1.788 -2.840
99 2HD2 LEU 12 2HD2 LEU 12 -3.678 0.901 -4.224
100 3HD2 LEU 12 3HD2 LEU 12 -4.415 2.428 -3.738
101 H GLU 13 H GLU 13 -4.892 -3.430 -1.515
102 HA GLU 13 HA GLU 13 -2.838 -4.329 0.027
103 1HB GLU 13 1HB GLU 13 -5.138 -5.783 -1.236
104 2HB GLU 13 2HB GLU 13 -3.958 -6.661 -0.272
105 1HG GLU 13 1HG GLU 13 -4.456 -5.325 1.657
106 2HG GLU 13 2HG GLU 13 -5.519 -4.284 0.711
107 H ALA 14 H ALA 14 -3.273 -4.838 -3.389
108 HA ALA 14 HA ALA 14 -1.335 -6.920 -3.653
109 1HB ALA 14 1HB ALA 14 -2.606 -5.068 -5.661
110 2HB ALA 14 2HB ALA 14 -1.470 -6.346 -6.093
111 3HB ALA 14 3HB ALA 14 -3.011 -6.754 -5.338
112 H GLU 15 H GLU 15 -1.289 -3.411 -4.382
113 HA GLU 15 HA GLU 15 1.472 -3.403 -4.996
114 1HB GLU 15 1HB GLU 15 0.979 -0.855 -4.695
115 2HB GLU 15 2HB GLU 15 0.384 -1.717 -6.089
116 1HG GLU 15 1HG GLU 15 -1.806 -1.840 -5.127
117 2HG GLU 15 2HG GLU 15 -1.223 -1.139 -3.617
118 H ASN 16 H ASN 16 -0.476 -2.313 -2.210
119 HA ASN 16 HA ASN 16 1.621 -1.299 -0.669
120 1HB ASN 16 1HB ASN 16 -0.775 -0.969 -0.154
121 2HB ASN 16 2HB ASN 16 -0.907 -2.664 0.298
122 1HD2 ASN 16 2HD2 ASN 16 -1.714 -1.323 2.231
123 2HD2 ASN 16 1HD2 ASN 16 -0.543 -1.013 3.461
124 H TYR 17 H TYR 17 0.824 -4.540 -1.484
125 HA TYR 17 HA TYR 17 2.350 -5.680 0.712
126 1HB TYR 17 1HB TYR 17 0.410 -6.931 0.183
127 2HB TYR 17 2HB TYR 17 0.740 -6.864 -1.544
128 HD1 TYR 17 HD1 TYR 17 1.782 -8.409 1.646
129 HD2 TYR 17 HD2 TYR 17 2.132 -8.486 -2.594
130 HE1 TYR 17 HE1 TYR 17 2.904 -10.594 1.784
131 HE2 TYR 17 HE2 TYR 17 3.253 -10.672 -2.468
132 HH TYR 17 HH TYR 17 3.486 -12.542 -0.990
133 H GLN 18 H GLN 18 2.505 -5.566 -2.849
134 HA GLN 18 HA GLN 18 4.805 -7.018 -3.256
135 1HB GLN 18 1HB GLN 18 4.926 -6.082 -5.388
136 2HB GLN 18 2HB GLN 18 3.225 -5.950 -4.975
137 1HG GLN 18 1HG GLN 18 3.413 -3.627 -4.562
138 2HG GLN 18 2HG GLN 18 5.173 -3.689 -4.618
139 1HE2 GLN 18 2HE2 GLN 18 3.733 -1.906 -6.144
140 2HE2 GLN 18 1HE2 GLN 18 3.884 -2.330 -7.812
141 H LEU 19 H LEU 19 4.511 -3.836 -1.906
142 HA LEU 19 HA LEU 19 7.330 -3.223 -2.187
143 1HB LEU 19 1HB LEU 19 5.106 -1.836 -0.708
144 2HB LEU 19 2HB LEU 19 6.740 -1.222 -0.834
145 HG LEU 19 HG LEU 19 4.772 -1.580 -3.094
146 1HD1 LEU 19 1HD1 LEU 19 4.804 0.429 -1.354
147 2HD1 LEU 19 2HD1 LEU 19 6.071 1.000 -2.439
148 3HD1 LEU 19 3HD1 LEU 19 4.457 0.667 -3.067
149 1HD2 LEU 19 1HD2 LEU 19 7.704 -1.211 -3.069
150 2HD2 LEU 19 2HD2 LEU 19 6.664 -1.969 -4.274
151 3HD2 LEU 19 3HD2 LEU 19 6.789 -0.212 -4.198
152 H GLU 20 H GLU 20 5.114 -3.478 0.589
153 HA GLU 20 HA GLU 20 6.908 -3.558 2.640
154 1HB GLU 20 1HB GLU 20 4.224 -3.891 2.442
155 2HB GLU 20 2HB GLU 20 4.715 -5.520 2.888
156 1HG GLU 20 1HG GLU 20 6.091 -3.682 4.562
157 2HG GLU 20 2HG GLU 20 4.380 -3.257 4.548
158 H GLN 21 H GLN 21 6.201 -6.121 0.364
159 HA GLN 21 HA GLN 21 7.613 -8.120 1.881
160 1HB GLN 21 1HB GLN 21 7.252 -9.526 -0.133
161 2HB GLN 21 2HB GLN 21 5.775 -8.855 0.532
162 1HG GLN 21 1HG GLN 21 5.278 -8.083 -1.478
163 2HG GLN 21 2HG GLN 21 6.671 -7.008 -1.371
164 1HE2 GLN 21 2HE2 GLN 21 6.752 -7.230 -3.691
165 2HE2 GLN 21 1HE2 GLN 21 7.532 -8.602 -4.393
166 H GLU 22 H GLU 22 8.283 -5.963 -0.828
167 HA GLU 22 HA GLU 22 10.864 -7.201 -1.311
168 1HB GLU 22 1HB GLU 22 11.157 -5.592 -3.068
169 2HB GLU 22 2HB GLU 22 9.519 -6.219 -3.166
170 1HG GLU 22 1HG GLU 22 8.629 -4.209 -2.893
171 2HG GLU 22 2HG GLU 22 9.677 -3.833 -1.528
172 H VAL 23 H VAL 23 9.535 -4.648 0.564
173 HA VAL 23 HA VAL 23 11.827 -3.057 0.963
174 HB VAL 23 HB VAL 23 9.506 -3.538 2.841
175 1HG1 VAL 23 1HG1 VAL 23 11.898 -2.053 3.188
176 2HG1 VAL 23 2HG1 VAL 23 10.562 -0.912 3.040
177 3HG1 VAL 23 3HG1 VAL 23 10.512 -2.176 4.269
178 1HG2 VAL 23 1HG2 VAL 23 9.479 -2.400 0.295
179 2HG2 VAL 23 2HG2 VAL 23 8.221 -2.286 1.526
180 3HG2 VAL 23 3HG2 VAL 23 9.456 -1.032 1.408
181 H ALA 24 H ALA 24 10.790 -6.102 2.237
182 HA ALA 24 HA ALA 24 12.448 -6.144 4.553
183 1HB ALA 24 1HB ALA 24 11.082 -8.353 3.021
184 2HB ALA 24 2HB ALA 24 11.919 -8.578 4.557
185 3HB ALA 24 3HB ALA 24 10.496 -7.537 4.472
186 H GLN 25 H GLN 25 12.995 -6.733 1.198
187 HA GLN 25 HA GLN 25 15.576 -8.013 1.788
188 1HB GLN 25 1HB GLN 25 14.035 -7.915 -0.813
189 2HB GLN 25 2HB GLN 25 15.565 -8.743 -0.561
190 1HG GLN 25 1HG GLN 25 14.612 -10.440 0.643
191 2HG GLN 25 2HG GLN 25 13.255 -9.446 1.175
192 1HE2 GLN 25 2HE2 GLN 25 11.681 -8.840 -0.501
193 2HE2 GLN 25 1HE2 GLN 25 11.327 -9.985 -1.745
194 H LEU 26 H LEU 26 14.070 -5.198 0.427
195 HA LEU 26 HA LEU 26 16.047 -4.193 -1.222
196 1HB LEU 26 1HB LEU 26 14.009 -2.881 0.539
197 2HB LEU 26 2HB LEU 26 15.176 -1.904 -0.333
198 HG LEU 26 HG LEU 26 13.591 -3.921 -1.860
199 1HD1 LEU 26 1HD1 LEU 26 12.504 -1.525 -0.511
200 2HD1 LEU 26 2HD1 LEU 26 12.035 -1.779 -2.192
201 3HD1 LEU 26 3HD1 LEU 26 11.706 -3.024 -0.988
202 1HD2 LEU 26 1HD2 LEU 26 14.736 -1.196 -2.446
203 2HD2 LEU 26 2HD2 LEU 26 15.308 -2.753 -3.046
204 3HD2 LEU 26 3HD2 LEU 26 13.749 -2.122 -3.577
205 H GLU 27 H GLU 27 15.580 -2.969 2.093
206 HA GLU 27 HA GLU 27 18.115 -1.815 2.291
207 1HB GLU 27 1HB GLU 27 17.664 -2.062 4.841
208 2HB GLU 27 2HB GLU 27 16.631 -1.017 3.878
209 1HG GLU 27 1HG GLU 27 15.432 -2.446 5.517
210 2HG GLU 27 2HG GLU 27 14.886 -2.631 3.852
211 H HIS 28 H HIS 28 17.164 -5.102 2.535
212 HA HIS 28 HA HIS 28 19.342 -6.006 4.148
213 1HB HIS 28 1HB HIS 28 17.241 -7.274 3.969
214 2HB HIS 28 2HB HIS 28 17.549 -7.546 2.257
215 HD1 HIS 28 HD1 HIS 28 20.544 -7.872 4.388
216 HD2 HIS 28 HD2 HIS 28 17.507 -10.318 2.957
217 HE1 HIS 28 HE1 HIS 28 21.331 -10.250 4.724
218 H GLU 29 H GLU 29 18.630 -6.789 0.741
219 HA GLU 29 HA GLU 29 21.467 -7.193 0.252
220 1HB GLU 29 1HB GLU 29 19.338 -8.559 -0.632
221 2HB GLU 29 2HB GLU 29 19.490 -7.411 -1.954
222 1HG GLU 29 1HG GLU 29 20.915 -8.881 -2.824
223 2HG GLU 29 2HG GLU 29 22.064 -8.248 -1.644
224 H GLY 30 H GLY 30 18.919 -5.533 -1.620
225 1HA GLY 30 1HA GLY 30 19.374 -3.027 -1.816
226 2HA GLY 30 2HA GLY 30 20.949 -3.541 -2.401
227 1HN NH2 31 1HN NH2 31 20.602 -2.494 -4.377
228 2HN NH2 31 2HN NH2 31 19.542 -3.140 -5.577
229 1H ACE 0 1H ACE 0 -18.888 -0.419 9.253
230 2H ACE 0 2H ACE 0 -20.540 -0.310 8.642
231 3H ACE 0 3H ACE 0 -19.340 0.887 8.157
232 H GLU 1 H GLU 1 -20.900 -0.708 6.368
233 HA GLU 1 HA GLU 1 -19.093 -2.740 5.332
234 1HB GLU 1 1HB GLU 1 -21.835 -1.824 4.462
235 2HB GLU 1 2HB GLU 1 -20.921 -3.085 3.645
236 1HG GLU 1 1HG GLU 1 -22.491 -4.131 5.091
237 2HG GLU 1 2HG GLU 1 -20.884 -4.358 5.779
238 H VAL 2 H VAL 2 -20.973 -0.280 3.603
239 HA VAL 2 HA VAL 2 -19.082 -0.036 1.510
240 HB VAL 2 HB VAL 2 -21.264 1.922 2.222
241 1HG1 VAL 2 1HG1 VAL 2 -19.401 2.378 0.430
242 2HG1 VAL 2 2HG1 VAL 2 -20.395 1.311 -0.559
243 3HG1 VAL 2 3HG1 VAL 2 -21.084 2.789 0.109
244 1HG2 VAL 2 1HG2 VAL 2 -21.612 -0.767 1.676
245 2HG2 VAL 2 2HG2 VAL 2 -22.834 0.497 1.539
246 3HG2 VAL 2 3HG2 VAL 2 -21.896 0.022 0.124
247 H GLN 3 H GLN 3 -19.379 1.508 4.560
248 HA GLN 3 HA GLN 3 -17.660 3.729 3.823
249 1HB GLN 3 1HB GLN 3 -19.693 3.366 5.730
250 2HB GLN 3 2HB GLN 3 -18.209 3.587 6.646
251 1HG GLN 3 1HG GLN 3 -18.048 5.749 6.105
252 2HG GLN 3 2HG GLN 3 -18.550 5.474 4.437
253 1HE2 GLN 3 2HE2 GLN 3 -19.818 5.580 7.739
254 2HE2 GLN 3 1HE2 GLN 3 -21.354 6.246 7.317
255 H ALA 4 H ALA 4 -17.629 1.504 6.600
256 HA ALA 4 HA ALA 4 -15.069 1.900 7.459
257 1HB ALA 4 1HB ALA 4 -17.087 0.300 8.234
258 2HB ALA 4 2HB ALA 4 -15.945 -0.897 7.626
259 3HB ALA 4 3HB ALA 4 -15.454 0.224 8.895
260 H LEU 5 H LEU 5 -15.895 0.420 4.494
261 HA LEU 5 HA LEU 5 -13.228 -0.823 4.310
262 1HB LEU 5 1HB LEU 5 -15.858 -1.420 3.101
263 2HB LEU 5 2HB LEU 5 -14.451 -1.712 2.108
264 HG LEU 5 HG LEU 5 -14.505 -2.843 4.871
265 1HD1 LEU 5 1HD1 LEU 5 -16.300 -3.618 2.647
266 2HD1 LEU 5 2HD1 LEU 5 -15.520 -4.915 3.552
267 3HD1 LEU 5 3HD1 LEU 5 -16.532 -3.741 4.391
268 1HD2 LEU 5 1HD2 LEU 5 -13.245 -3.478 2.237
269 2HD2 LEU 5 2HD2 LEU 5 -12.498 -3.294 3.824
270 3HD2 LEU 5 3HD2 LEU 5 -13.434 -4.742 3.453
271 H LYS 6 H LYS 6 -15.393 1.499 3.052
272 HA LYS 6 HA LYS 6 -13.976 2.125 0.655
273 1HB LYS 6 1HB LYS 6 -16.370 2.406 0.855
274 2HB LYS 6 2HB LYS 6 -16.155 3.454 2.240
275 1HG LYS 6 1HG LYS 6 -16.635 4.922 0.507
276 2HG LYS 6 2HG LYS 6 -14.876 4.993 0.627
277 1HD LYS 6 1HD LYS 6 -14.641 4.266 -1.468
278 2HD LYS 6 2HD LYS 6 -15.689 2.879 -1.158
279 1HE LYS 6 1HE LYS 6 -17.625 4.083 -1.740
280 2HE LYS 6 2HE LYS 6 -16.786 5.631 -1.658
281 1HZ LYS 6 1HZ LYS 6 -15.383 4.303 -3.539
282 2HZ LYS 6 2HZ LYS 6 -16.953 3.744 -3.828
283 3HZ LYS 6 3HZ LYS 6 -16.627 5.404 -3.860
284 H LYS 7 H LYS 7 -14.269 3.537 3.890
285 HA LYS 7 HA LYS 7 -12.434 5.682 3.231
286 1HB LYS 7 1HB LYS 7 -14.204 5.012 5.521
287 2HB LYS 7 2HB LYS 7 -12.784 5.993 5.864
288 1HG LYS 7 1HG LYS 7 -14.286 7.638 5.420
289 2HG LYS 7 2HG LYS 7 -13.666 7.367 3.790
290 1HD LYS 7 1HD LYS 7 -15.922 5.648 4.565
291 2HD LYS 7 2HD LYS 7 -16.299 7.369 4.457
292 1HE LYS 7 1HE LYS 7 -14.711 6.198 2.249
293 2HE LYS 7 2HE LYS 7 -16.405 5.718 2.354
294 1HZ LYS 7 1HZ LYS 7 -15.569 8.557 2.418
295 2HZ LYS 7 2HZ LYS 7 -15.878 7.745 0.966
296 3HZ LYS 7 3HZ LYS 7 -17.108 7.925 2.113
297 H ARG 8 H ARG 8 -12.088 2.490 4.154
298 HA ARG 8 HA ARG 8 -9.759 2.941 5.828
299 1HB ARG 8 1HB ARG 8 -9.811 0.663 6.347
300 2HB ARG 8 2HB ARG 8 -11.501 1.113 6.225
301 1HG ARG 8 1HG ARG 8 -11.717 0.055 4.108
302 2HG ARG 8 2HG ARG 8 -9.972 -0.173 3.975
303 1HD ARG 8 1HD ARG 8 -10.778 -1.367 6.404
304 2HD ARG 8 2HD ARG 8 -11.928 -1.882 5.173
305 HE ARG 8 HE ARG 8 -10.257 -3.071 4.128
306 1HH1 ARG 8 1HH1 ARG 8 -8.875 -1.053 6.623
307 2HH1 ARG 8 2HH1 ARG 8 -7.330 -1.831 6.570
308 1HH2 ARG 8 1HH2 ARG 8 -8.222 -4.097 4.065
309 2HH2 ARG 8 2HH2 ARG 8 -6.958 -3.558 5.119
310 H VAL 9 H VAL 9 -10.526 2.189 2.533
311 HA VAL 9 HA VAL 9 -8.280 0.894 1.615
312 HB VAL 9 HB VAL 9 -9.935 3.038 0.277
313 1HG1 VAL 9 1HG1 VAL 9 -7.695 3.042 -0.737
314 2HG1 VAL 9 2HG1 VAL 9 -7.812 1.301 -0.996
315 3HG1 VAL 9 3HG1 VAL 9 -8.902 2.394 -1.847
316 1HG2 VAL 9 1HG2 VAL 9 -10.582 0.483 0.911
317 2HG2 VAL 9 2HG2 VAL 9 -11.273 1.384 -0.439
318 3HG2 VAL 9 3HG2 VAL 9 -9.930 0.275 -0.715
319 H GLN 10 H GLN 10 -8.661 4.297 2.426
320 HA GLN 10 HA GLN 10 -6.309 5.305 1.334
321 1HB GLN 10 1HB GLN 10 -6.449 6.968 3.293
322 2HB GLN 10 2HB GLN 10 -7.791 6.915 2.158
323 1HG GLN 10 1HG GLN 10 -9.237 6.226 3.709
324 2HG GLN 10 2HG GLN 10 -8.083 5.110 4.437
325 1HE2 GLN 10 2HE2 GLN 10 -9.455 8.265 4.517
326 2HE2 GLN 10 1HE2 GLN 10 -8.691 8.798 5.972
327 H ALA 11 H ALA 11 -6.803 3.251 4.067
328 HA ALA 11 HA ALA 11 -4.350 3.788 5.406
329 1HB ALA 11 1HB ALA 11 -6.316 2.771 6.500
330 2HB ALA 11 2HB ALA 11 -6.054 1.307 5.552
331 3HB ALA 11 3HB ALA 11 -4.841 1.828 6.721
332 H LEU 12 H LEU 12 -5.272 1.708 2.757
333 HA LEU 12 HA LEU 12 -2.843 0.148 2.882
334 1HB LEU 12 1HB LEU 12 -4.583 0.214 0.456
335 2HB LEU 12 2HB LEU 12 -3.682 -1.118 1.130
336 HG LEU 12 HG LEU 12 -5.990 -0.053 2.690
337 1HD1 LEU 12 1HD1 LEU 12 -6.447 -0.575 0.102
338 2HD1 LEU 12 2HD1 LEU 12 -6.570 -2.204 0.760
339 3HD1 LEU 12 3HD1 LEU 12 -7.610 -0.924 1.380
340 1HD2 LEU 12 1HD2 LEU 12 -4.222 -2.018 3.170
341 2HD2 LEU 12 2HD2 LEU 12 -5.879 -2.030 3.774
342 3HD2 LEU 12 3HD2 LEU 12 -5.466 -2.930 2.314
343 H LYS 13 H LYS 13 -4.069 2.919 1.120
344 HA LYS 13 HA LYS 13 -1.748 2.999 -0.619
345 1HB LYS 13 1HB LYS 13 -2.908 5.102 -1.448
346 2HB LYS 13 2HB LYS 13 -3.646 3.541 -1.786
347 1HG LYS 13 1HG LYS 13 -5.386 3.898 -0.347
348 2HG LYS 13 2HG LYS 13 -4.468 5.030 0.653
349 1HD LYS 13 1HD LYS 13 -5.417 6.683 -0.459
350 2HD LYS 13 2HD LYS 13 -4.519 6.140 -1.883
351 1HE LYS 13 1HE LYS 13 -6.335 4.866 -2.670
352 2HE LYS 13 2HE LYS 13 -7.163 4.934 -1.115
353 1HZ LYS 13 1HZ LYS 13 -7.160 7.477 -1.611
354 2HZ LYS 13 2HZ LYS 13 -6.989 6.974 -3.218
355 3HZ LYS 13 3HZ LYS 13 -8.327 6.473 -2.311
356 H ALA 14 H ALA 14 -3.104 4.827 2.082
357 HA ALA 14 HA ALA 14 -1.340 7.004 2.002
358 1HB ALA 14 1HB ALA 14 -2.728 5.732 4.358
359 2HB ALA 14 2HB ALA 14 -1.875 7.274 4.416
360 3HB ALA 14 3HB ALA 14 -3.299 7.093 3.391
361 H ARG 15 H ARG 15 -1.016 3.784 3.341
362 HA ARG 15 HA ARG 15 1.578 4.397 4.504
363 1HB ARG 15 1HB ARG 15 0.060 2.934 5.748
364 2HB ARG 15 2HB ARG 15 0.008 1.813 4.395
365 1HG ARG 15 1HG ARG 15 1.614 0.726 5.500
366 2HG ARG 15 2HG ARG 15 2.684 1.974 4.860
367 1HD ARG 15 1HD ARG 15 3.192 2.502 6.959
368 2HD ARG 15 2HD ARG 15 1.544 3.100 7.142
369 HE ARG 15 HE ARG 15 1.165 1.354 8.544
370 1HH1 ARG 15 1HH1 ARG 15 3.741 0.447 6.371
371 2HH1 ARG 15 2HH1 ARG 15 3.998 -1.094 7.118
372 1HH2 ARG 15 1HH2 ARG 15 1.500 -0.675 9.526
373 2HH2 ARG 15 2HH2 ARG 15 2.727 -1.730 8.908
374 H ASN 16 H ASN 16 0.172 2.656 1.798
375 HA ASN 16 HA ASN 16 2.572 1.398 0.939
376 1HB ASN 16 1HB ASN 16 0.462 0.501 0.222
377 2HB ASN 16 2HB ASN 16 -0.009 2.029 -0.505
378 1HD2 ASN 16 2HD2 ASN 16 -0.266 1.357 -2.562
379 2HD2 ASN 16 1HD2 ASN 16 1.009 0.732 -3.547
380 H TYR 17 H TYR 17 0.808 4.256 -0.247
381 HA TYR 17 HA TYR 17 2.456 5.062 -2.270
382 1HB TYR 17 1HB TYR 17 0.503 6.328 -1.992
383 2HB TYR 17 2HB TYR 17 0.828 6.631 -0.287
384 HD1 TYR 17 HD1 TYR 17 2.190 7.390 -3.679
385 HD2 TYR 17 HD2 TYR 17 1.733 8.673 0.352
386 HE1 TYR 17 HE1 TYR 17 3.209 9.552 -4.256
387 HE2 TYR 17 HE2 TYR 17 2.754 10.837 -0.215
388 HH TYR 17 HH TYR 17 3.329 11.800 -3.471
389 H ALA 18 H ALA 18 2.839 5.662 1.190
390 HA ALA 18 HA ALA 18 5.055 7.360 1.090
391 1HB ALA 18 1HB ALA 18 3.949 5.520 3.170
392 2HB ALA 18 2HB ALA 18 5.487 6.339 3.438
393 3HB ALA 18 3HB ALA 18 4.023 7.282 3.156
394 H LEU 19 H LEU 19 4.904 3.814 1.323
395 HA LEU 19 HA LEU 19 7.633 3.339 1.607
396 1HB LEU 19 1HB LEU 19 6.087 1.457 -0.089
397 2HB LEU 19 2HB LEU 19 7.211 1.128 1.211
398 HG LEU 19 HG LEU 19 4.344 2.007 1.495
399 1HD1 LEU 19 1HD1 LEU 19 5.781 -0.535 2.226
400 2HD1 LEU 19 2HD1 LEU 19 4.098 -0.166 2.605
401 3HD1 LEU 19 3HD1 LEU 19 4.608 -0.329 0.924
402 1HD2 LEU 19 1HD2 LEU 19 5.834 3.052 3.185
403 2HD2 LEU 19 2HD2 LEU 19 4.660 1.931 3.876
404 3HD2 LEU 19 3HD2 LEU 19 6.342 1.437 3.678
405 H LYS 20 H LYS 20 5.685 3.523 -1.358
406 HA LYS 20 HA LYS 20 7.504 2.969 -3.300
407 1HB LYS 20 1HB LYS 20 5.017 4.037 -3.298
408 2HB LYS 20 2HB LYS 20 5.953 5.437 -3.800
409 1HG LYS 20 1HG LYS 20 6.479 4.540 -5.809
410 2HG LYS 20 2HG LYS 20 6.529 2.891 -5.185
411 1HD LYS 20 1HD LYS 20 3.903 4.286 -5.270
412 2HD LYS 20 2HD LYS 20 4.592 3.712 -6.790
413 1HE LYS 20 1HE LYS 20 4.902 1.474 -5.610
414 2HE LYS 20 2HE LYS 20 3.842 2.116 -4.356
415 1HZ LYS 20 1HZ LYS 20 2.953 2.263 -7.145
416 2HZ LYS 20 2HZ LYS 20 2.890 0.764 -6.362
417 3HZ LYS 20 3HZ LYS 20 2.041 2.084 -5.732
418 H GLN 21 H GLN 21 7.431 5.784 -1.254
419 HA GLN 21 HA GLN 21 9.398 7.243 -2.776
420 1HB GLN 21 1HB GLN 21 7.706 8.478 -1.568
421 2HB GLN 21 2HB GLN 21 8.167 7.709 -0.056
422 1HG GLN 21 1HG GLN 21 10.519 8.826 -0.775
423 2HG GLN 21 2HG GLN 21 9.384 9.971 -1.486
424 1HE2 GLN 21 2HE2 GLN 21 10.341 8.389 1.500
425 2HE2 GLN 21 1HE2 GLN 21 9.723 9.605 2.561
426 H LYS 22 H LYS 22 9.329 5.660 0.420
427 HA LYS 22 HA LYS 22 12.097 6.042 0.932
428 1HB LYS 22 1HB LYS 22 11.765 4.662 2.859
429 2HB LYS 22 2HB LYS 22 10.323 5.652 2.672
430 1HG LYS 22 1HG LYS 22 9.322 3.669 1.438
431 2HG LYS 22 2HG LYS 22 10.668 2.735 2.080
432 1HD LYS 22 1HD LYS 22 8.510 4.148 3.612
433 2HD LYS 22 2HD LYS 22 8.840 2.421 3.555
434 1HE LYS 22 1HE LYS 22 10.932 2.743 4.727
435 2HE LYS 22 2HE LYS 22 10.708 4.491 4.703
436 1HZ LYS 22 1HZ LYS 22 8.589 4.039 5.984
437 2HZ LYS 22 2HZ LYS 22 9.177 2.472 6.231
438 3HZ LYS 22 3HZ LYS 22 10.041 3.801 6.821
439 H VAL 23 H VAL 23 10.195 3.399 -0.395
440 HA VAL 23 HA VAL 23 11.631 1.198 -0.429
441 HB VAL 23 HB VAL 23 10.365 2.482 -2.844
442 1HG1 VAL 23 1HG1 VAL 23 12.018 0.071 -2.691
443 2HG1 VAL 23 2HG1 VAL 23 10.432 -0.190 -3.415
444 3HG1 VAL 23 3HG1 VAL 23 11.523 1.019 -4.091
445 1HG2 VAL 23 1HG2 VAL 23 9.243 1.402 -0.601
446 2HG2 VAL 23 2HG2 VAL 23 8.450 1.534 -2.171
447 3HG2 VAL 23 3HG2 VAL 23 9.245 0.029 -1.708
448 H GLN 24 H GLN 24 12.353 3.751 -2.830
449 HA GLN 24 HA GLN 24 14.637 2.534 -3.857
450 1HB GLN 24 1HB GLN 24 15.251 4.816 -4.670
451 2HB GLN 24 2HB GLN 24 13.614 4.319 -5.075
452 1HG GLN 24 1HG GLN 24 12.761 5.652 -3.200
453 2HG GLN 24 2HG GLN 24 14.407 6.176 -2.843
454 1HE2 GLN 24 2HE2 GLN 24 12.578 5.823 -5.863
455 2HE2 GLN 24 1HE2 GLN 24 12.816 7.449 -6.397
456 H ALA 25 H ALA 25 14.324 4.961 -1.286
457 HA ALA 25 HA ALA 25 17.035 5.337 -0.750
458 1HB ALA 25 1HB ALA 25 14.763 6.402 0.228
459 2HB ALA 25 2HB ALA 25 15.226 5.366 1.579
460 3HB ALA 25 3HB ALA 25 16.341 6.598 0.989
461 H LEU 26 H LEU 26 14.850 2.779 0.180
462 HA LEU 26 HA LEU 26 16.396 1.638 2.248
463 1HB LEU 26 1HB LEU 26 14.703 -0.054 0.457
464 2HB LEU 26 2HB LEU 26 14.921 -0.153 2.194
465 HG LEU 26 HG LEU 26 13.231 1.809 0.661
466 1HD1 LEU 26 1HD1 LEU 26 12.655 -0.351 2.671
467 2HD1 LEU 26 2HD1 LEU 26 11.477 0.868 2.190
468 3HD1 LEU 26 3HD1 LEU 26 12.118 -0.260 0.994
469 1HD2 LEU 26 1HD2 LEU 26 14.420 2.994 2.451
470 2HD2 LEU 26 2HD2 LEU 26 12.695 2.858 2.791
471 3HD2 LEU 26 3HD2 LEU 26 13.843 1.802 3.615
472 H ARG 27 H ARG 27 16.186 0.906 -1.219
473 HA ARG 27 HA ARG 27 17.993 -1.214 -1.276
474 1HB ARG 27 1HB ARG 27 17.833 -1.091 -3.566
475 2HB ARG 27 2HB ARG 27 16.402 -0.189 -3.105
476 1HG ARG 27 1HG ARG 27 18.223 1.803 -3.231
477 2HG ARG 27 2HG ARG 27 18.845 0.702 -4.463
478 1HD ARG 27 1HD ARG 27 16.326 0.626 -5.203
479 2HD ARG 27 2HD ARG 27 16.256 2.165 -4.349
480 HE ARG 27 HE ARG 27 17.536 1.639 -6.866
481 1HH1 ARG 27 1HH1 ARG 27 17.474 3.726 -4.069
482 2HH1 ARG 27 2HH1 ARG 27 18.194 5.065 -4.897
483 1HH2 ARG 27 1HH2 ARG 27 18.486 3.400 -7.956
484 2HH2 ARG 27 2HH2 ARG 27 18.769 4.881 -7.104
485 H HIS 28 H HIS 28 18.541 2.182 -0.956
486 HA HIS 28 HA HIS 28 21.354 1.987 -1.654
487 1HB HIS 28 1HB HIS 28 19.442 4.184 -1.093
488 2HB HIS 28 2HB HIS 28 21.123 4.483 -0.663
489 HD1 HIS 28 HD1 HIS 28 19.503 5.897 -3.042
490 HD2 HIS 28 HD2 HIS 28 22.257 2.805 -3.390
491 HE1 HIS 28 HE1 HIS 28 20.398 6.006 -5.406
492 H LYS 29 H LYS 29 19.340 1.903 1.155
493 HA LYS 29 HA LYS 29 21.016 2.774 3.165
494 1HB LYS 29 1HB LYS 29 18.607 1.960 3.341
495 2HB LYS 29 2HB LYS 29 19.267 0.333 3.429
496 1HG LYS 29 1HG LYS 29 20.680 1.871 5.313
497 2HG LYS 29 2HG LYS 29 18.974 2.279 5.499
498 1HD LYS 29 1HD LYS 29 18.898 0.438 6.786
499 2HD LYS 29 2HD LYS 29 18.858 -0.429 5.249
500 1HE LYS 29 1HE LYS 29 21.540 0.293 6.222
501 2HE LYS 29 2HE LYS 29 20.669 -0.874 7.215
502 1HZ LYS 29 1HZ LYS 29 20.235 -1.889 4.807
503 2HZ LYS 29 2HZ LYS 29 21.734 -1.156 4.524
504 3HZ LYS 29 3HZ LYS 29 21.574 -2.309 5.752
505 H GLY 30 H GLY 30 22.652 1.901 4.379
506 1HA GLY 30 1HA GLY 30 23.808 -0.185 5.084
507 2HA GLY 30 2HA GLY 30 23.762 -0.655 3.391
508 1HN NH2 31 1HN NH2 31 24.434 1.903 2.328
509 2HN NH2 31 2HN NH2 31 26.098 2.193 2.687
Start of MODEL 9
1 1H ACE 0 1H ACE 0 -21.189 6.411 -5.829
2 2H ACE 0 2H ACE 0 -22.145 4.938 -5.675
3 3H ACE 0 3H ACE 0 -22.089 5.795 -7.215
4 H GLU 1 H GLU 1 -19.163 5.643 -5.422
5 HA GLU 1 HA GLU 1 -17.985 3.922 -7.451
6 1HB GLU 1 1HB GLU 1 -16.934 5.801 -5.388
7 2HB GLU 1 2HB GLU 1 -15.875 4.531 -5.986
8 1HG GLU 1 1HG GLU 1 -16.760 5.483 -8.320
9 2HG GLU 1 2HG GLU 1 -16.907 6.942 -7.341
10 H VAL 2 H VAL 2 -19.768 2.882 -5.317
11 HA VAL 2 HA VAL 2 -18.639 1.555 -3.247
12 HB VAL 2 HB VAL 2 -20.645 0.388 -5.179
13 1HG1 VAL 2 1HG1 VAL 2 -19.692 -1.316 -3.710
14 2HG1 VAL 2 2HG1 VAL 2 -20.074 -0.326 -2.301
15 3HG1 VAL 2 3HG1 VAL 2 -21.374 -0.991 -3.290
16 1HG2 VAL 2 1HG2 VAL 2 -20.878 2.288 -2.885
17 2HG2 VAL 2 2HG2 VAL 2 -21.639 2.349 -4.475
18 3HG2 VAL 2 3HG2 VAL 2 -22.211 1.199 -3.266
19 H ALA 3 H ALA 3 -19.007 0.036 -6.463
20 HA ALA 3 HA ALA 3 -17.410 -2.190 -5.946
21 1HB ALA 3 1HB ALA 3 -18.130 -0.800 -8.512
22 2HB ALA 3 2HB ALA 3 -17.169 -2.278 -8.473
23 3HB ALA 3 3HB ALA 3 -18.813 -2.278 -7.834
24 H GLN 4 H GLN 4 -16.542 0.931 -7.402
25 HA GLN 4 HA GLN 4 -13.913 0.430 -8.076
26 1HB GLN 4 1HB GLN 4 -15.556 2.774 -7.588
27 2HB GLN 4 2HB GLN 4 -13.890 3.043 -7.092
28 1HG GLN 4 1HG GLN 4 -13.158 3.135 -9.194
29 2HG GLN 4 2HG GLN 4 -14.125 1.748 -9.691
30 1HE2 GLN 4 2HE2 GLN 4 -13.642 4.270 -11.067
31 2HE2 GLN 4 1HE2 GLN 4 -15.196 4.972 -11.344
32 H LEU 5 H LEU 5 -15.316 0.900 -4.927
33 HA LEU 5 HA LEU 5 -12.707 1.154 -3.657
34 1HB LEU 5 1HB LEU 5 -15.541 1.366 -2.718
35 2HB LEU 5 2HB LEU 5 -14.259 1.093 -1.552
36 HG LEU 5 HG LEU 5 -14.355 3.429 -3.463
37 1HD1 LEU 5 1HD1 LEU 5 -15.053 3.286 -0.534
38 2HD1 LEU 5 2HD1 LEU 5 -14.941 4.761 -1.494
39 3HD1 LEU 5 3HD1 LEU 5 -16.178 3.560 -1.863
40 1HD2 LEU 5 1HD2 LEU 5 -12.175 2.378 -2.231
41 2HD2 LEU 5 2HD2 LEU 5 -12.359 4.078 -2.664
42 3HD2 LEU 5 3HD2 LEU 5 -12.726 3.541 -1.026
43 H GLU 6 H GLU 6 -15.251 -1.190 -4.140
44 HA GLU 6 HA GLU 6 -14.570 -3.062 -2.183
45 1HB GLU 6 1HB GLU 6 -15.915 -3.252 -4.855
46 2HB GLU 6 2HB GLU 6 -15.525 -4.719 -3.970
47 1HG GLU 6 1HG GLU 6 -16.938 -2.597 -2.477
48 2HG GLU 6 2HG GLU 6 -17.850 -3.445 -3.725
49 H LYS 7 H LYS 7 -13.285 -2.549 -5.427
50 HA LYS 7 HA LYS 7 -11.492 -4.816 -5.192
51 1HB LYS 7 1HB LYS 7 -11.179 -2.825 -7.383
52 2HB LYS 7 2HB LYS 7 -11.056 -4.577 -7.434
53 1HG LYS 7 1HG LYS 7 -13.573 -2.933 -7.352
54 2HG LYS 7 2HG LYS 7 -12.969 -3.903 -8.695
55 1HD LYS 7 1HD LYS 7 -13.291 -5.405 -6.204
56 2HD LYS 7 2HD LYS 7 -14.797 -4.730 -6.828
57 1HE LYS 7 1HE LYS 7 -13.276 -5.871 -8.976
58 2HE LYS 7 2HE LYS 7 -13.456 -7.052 -7.679
59 1HZ LYS 7 1HZ LYS 7 -15.834 -5.549 -8.468
60 2HZ LYS 7 2HZ LYS 7 -15.276 -6.734 -9.541
61 3HZ LYS 7 3HZ LYS 7 -15.690 -7.155 -7.956
62 H GLU 8 H GLU 8 -11.442 -1.377 -4.736
63 HA GLU 8 HA GLU 8 -8.727 -0.829 -4.971
64 1HB GLU 8 1HB GLU 8 -10.631 0.805 -4.597
65 2HB GLU 8 2HB GLU 8 -10.524 0.404 -2.888
66 1HG GLU 8 1HG GLU 8 -8.230 1.193 -2.827
67 2HG GLU 8 2HG GLU 8 -8.292 1.546 -4.553
68 H VAL 9 H VAL 9 -10.471 -2.503 -2.472
69 HA VAL 9 HA VAL 9 -8.417 -2.317 -0.488
70 HB VAL 9 HB VAL 9 -10.861 -4.067 -0.742
71 1HG1 VAL 9 1HG1 VAL 9 -8.566 -4.319 1.103
72 2HG1 VAL 9 2HG1 VAL 9 -10.170 -4.411 1.830
73 3HG1 VAL 9 3HG1 VAL 9 -9.718 -5.534 0.548
74 1HG2 VAL 9 1HG2 VAL 9 -10.127 -1.820 1.132
75 2HG2 VAL 9 2HG2 VAL 9 -11.270 -1.734 -0.208
76 3HG2 VAL 9 3HG2 VAL 9 -11.624 -2.750 1.189
77 H ALA 10 H ALA 10 -9.597 -5.028 -2.491
78 HA ALA 10 HA ALA 10 -7.554 -6.823 -1.823
79 1HB ALA 10 1HB ALA 10 -9.653 -7.486 -2.915
80 2HB ALA 10 2HB ALA 10 -9.123 -6.690 -4.396
81 3HB ALA 10 3HB ALA 10 -8.239 -8.087 -3.781
82 H GLN 11 H GLN 11 -7.618 -4.129 -3.996
83 HA GLN 11 HA GLN 11 -5.446 -4.859 -5.655
84 1HB GLN 11 1HB GLN 11 -7.047 -3.101 -6.265
85 2HB GLN 11 2HB GLN 11 -6.481 -2.113 -4.927
86 1HG GLN 11 1HG GLN 11 -5.487 -1.287 -6.919
87 2HG GLN 11 2HG GLN 11 -4.227 -2.094 -5.985
88 1HE2 GLN 11 2HE2 GLN 11 -3.681 -4.294 -6.615
89 2HE2 GLN 11 1HE2 GLN 11 -3.785 -4.738 -8.283
90 H LEU 12 H LEU 12 -5.587 -2.566 -2.916
91 HA LEU 12 HA LEU 12 -2.813 -2.140 -2.781
92 1HB LEU 12 1HB LEU 12 -4.844 -1.928 -0.557
93 2HB LEU 12 2HB LEU 12 -3.234 -1.236 -0.544
94 HG LEU 12 HG LEU 12 -5.384 -0.462 -2.515
95 1HD1 LEU 12 1HD1 LEU 12 -4.498 0.871 0.036
96 2HD1 LEU 12 2HD1 LEU 12 -5.528 1.619 -1.183
97 3HD1 LEU 12 3HD1 LEU 12 -6.087 0.192 -0.310
98 1HD2 LEU 12 1HD2 LEU 12 -2.940 -0.177 -3.136
99 2HD2 LEU 12 2HD2 LEU 12 -3.942 1.274 -3.189
100 3HD2 LEU 12 3HD2 LEU 12 -2.852 1.003 -1.829
101 H GLU 13 H GLU 13 -4.890 -4.564 -1.303
102 HA GLU 13 HA GLU 13 -3.120 -5.593 0.586
103 1HB GLU 13 1HB GLU 13 -5.393 -6.776 -0.969
104 2HB GLU 13 2HB GLU 13 -4.409 -7.805 0.062
105 1HG GLU 13 1HG GLU 13 -4.957 -6.452 1.991
106 2HG GLU 13 2HG GLU 13 -5.878 -5.343 0.976
107 H ALA 14 H ALA 14 -3.109 -5.847 -2.859
108 HA ALA 14 HA ALA 14 -1.225 -8.066 -2.865
109 1HB ALA 14 1HB ALA 14 -3.165 -7.470 -4.596
110 2HB ALA 14 2HB ALA 14 -1.837 -6.600 -5.363
111 3HB ALA 14 3HB ALA 14 -1.702 -8.333 -5.068
112 H GLU 15 H GLU 15 -1.319 -4.601 -3.481
113 HA GLU 15 HA GLU 15 1.442 -4.485 -4.307
114 1HB GLU 15 1HB GLU 15 -0.576 -2.912 -4.938
115 2HB GLU 15 2HB GLU 15 -0.105 -2.067 -3.470
116 1HG GLU 15 1HG GLU 15 1.577 -1.071 -4.504
117 2HG GLU 15 2HG GLU 15 2.202 -2.612 -5.089
118 H ASN 16 H ASN 16 -0.393 -3.158 -1.546
119 HA ASN 16 HA ASN 16 1.705 -2.192 -0.044
120 1HB ASN 16 1HB ASN 16 -0.665 -1.849 0.511
121 2HB ASN 16 2HB ASN 16 -0.810 -3.543 0.965
122 1HD2 ASN 16 2HD2 ASN 16 -1.602 -2.300 2.915
123 2HD2 ASN 16 1HD2 ASN 16 -0.433 -1.957 4.135
124 H TYR 17 H TYR 17 0.728 -5.490 -0.558
125 HA TYR 17 HA TYR 17 2.419 -6.508 1.574
126 1HB TYR 17 1HB TYR 17 0.405 -7.719 1.316
127 2HB TYR 17 2HB TYR 17 0.577 -7.796 -0.432
128 HD1 TYR 17 HD1 TYR 17 2.317 -8.927 2.674
129 HD2 TYR 17 HD2 TYR 17 1.344 -9.760 -1.383
130 HE1 TYR 17 HE1 TYR 17 3.370 -11.139 2.883
131 HE2 TYR 17 HE2 TYR 17 2.394 -11.976 -1.184
132 HH TYR 17 HH TYR 17 2.939 -13.600 0.632
133 H GLN 18 H GLN 18 2.624 -5.857 -1.805
134 HA GLN 18 HA GLN 18 4.833 -7.669 -2.259
135 1HB GLN 18 1HB GLN 18 3.089 -5.972 -3.898
136 2HB GLN 18 2HB GLN 18 4.756 -6.031 -4.452
137 1HG GLN 18 1HG GLN 18 3.025 -8.437 -3.939
138 2HG GLN 18 2HG GLN 18 3.314 -7.713 -5.520
139 1HE2 GLN 18 2HE2 GLN 18 4.981 -8.429 -6.657
140 2HE2 GLN 18 1HE2 GLN 18 6.270 -9.405 -6.051
141 H LEU 19 H LEU 19 4.783 -5.020 -0.494
142 HA LEU 19 HA LEU 19 7.426 -4.130 -1.425
143 1HB LEU 19 1HB LEU 19 5.140 -2.475 -0.382
144 2HB LEU 19 2HB LEU 19 6.787 -1.880 -0.425
145 HG LEU 19 HG LEU 19 5.164 -2.730 -2.825
146 1HD1 LEU 19 1HD1 LEU 19 5.547 -0.173 -1.439
147 2HD1 LEU 19 2HD1 LEU 19 5.792 -0.118 -3.185
148 3HD1 LEU 19 3HD1 LEU 19 4.263 -0.698 -2.528
149 1HD2 LEU 19 1HD2 LEU 19 8.019 -2.092 -2.429
150 2HD2 LEU 19 2HD2 LEU 19 7.238 -3.113 -3.637
151 3HD2 LEU 19 3HD2 LEU 19 7.238 -1.360 -3.831
152 H GLU 20 H GLU 20 5.202 -4.178 1.353
153 HA GLU 20 HA GLU 20 6.942 -3.601 3.396
154 1HB GLU 20 1HB GLU 20 4.404 -4.116 3.442
155 2HB GLU 20 2HB GLU 20 4.899 -5.784 3.696
156 1HG GLU 20 1HG GLU 20 6.383 -4.570 5.577
157 2HG GLU 20 2HG GLU 20 5.003 -3.474 5.517
158 H GLN 21 H GLN 21 6.726 -6.515 1.512
159 HA GLN 21 HA GLN 21 8.474 -7.988 3.314
160 1HB GLN 21 1HB GLN 21 6.451 -8.855 1.794
161 2HB GLN 21 2HB GLN 21 7.757 -9.062 0.636
162 1HG GLN 21 1HG GLN 21 8.374 -10.101 3.290
163 2HG GLN 21 2HG GLN 21 6.994 -10.883 2.521
164 1HE2 GLN 21 2HE2 GLN 21 10.322 -9.866 1.862
165 2HE2 GLN 21 1HE2 GLN 21 10.717 -11.208 0.849
166 H GLU 22 H GLU 22 8.605 -6.209 0.323
167 HA GLU 22 HA GLU 22 11.231 -7.199 -0.385
168 1HB GLU 22 1HB GLU 22 9.180 -6.085 -1.826
169 2HB GLU 22 2HB GLU 22 10.301 -4.737 -1.691
170 1HG GLU 22 1HG GLU 22 11.795 -5.671 -3.076
171 2HG GLU 22 2HG GLU 22 11.526 -7.294 -2.443
172 H VAL 23 H VAL 23 9.861 -4.565 1.387
173 HA VAL 23 HA VAL 23 12.096 -2.810 1.296
174 HB VAL 23 HB VAL 23 9.965 -2.970 3.430
175 1HG1 VAL 23 1HG1 VAL 23 12.178 -1.144 2.878
176 2HG1 VAL 23 2HG1 VAL 23 10.624 -0.340 3.101
177 3HG1 VAL 23 3HG1 VAL 23 11.256 -1.400 4.359
178 1HG2 VAL 23 1HG2 VAL 23 9.571 -2.517 0.714
179 2HG2 VAL 23 2HG2 VAL 23 8.454 -2.134 2.024
180 3HG2 VAL 23 3HG2 VAL 23 9.578 -0.909 1.438
181 H ALA 24 H ALA 24 11.196 -5.523 3.304
182 HA ALA 24 HA ALA 24 12.792 -5.114 5.533
183 1HB ALA 24 1HB ALA 24 11.104 -7.061 4.759
184 2HB ALA 24 2HB ALA 24 12.648 -7.889 4.558
185 3HB ALA 24 3HB ALA 24 12.211 -7.208 6.125
186 H GLN 25 H GLN 25 13.725 -5.981 2.307
187 HA GLN 25 HA GLN 25 16.465 -6.522 3.241
188 1HB GLN 25 1HB GLN 25 15.189 -7.265 0.604
189 2HB GLN 25 2HB GLN 25 16.823 -7.671 1.110
190 1HG GLN 25 1HG GLN 25 15.603 -8.799 3.124
191 2HG GLN 25 2HG GLN 25 14.222 -8.787 2.029
192 1HE2 GLN 25 2HE2 GLN 25 17.703 -9.420 1.710
193 2HE2 GLN 25 1HE2 GLN 25 17.526 -10.929 0.890
194 H LEU 26 H LEU 26 14.549 -4.701 0.899
195 HA LEU 26 HA LEU 26 16.620 -3.477 -0.504
196 1HB LEU 26 1HB LEU 26 13.843 -2.521 0.162
197 2HB LEU 26 2HB LEU 26 14.925 -1.627 -0.887
198 HG LEU 26 HG LEU 26 14.073 -4.468 -1.428
199 1HD1 LEU 26 1HD1 LEU 26 12.842 -1.858 -2.254
200 2HD1 LEU 26 2HD1 LEU 26 12.644 -3.328 -3.208
201 3HD1 LEU 26 3HD1 LEU 26 12.063 -3.272 -1.544
202 1HD2 LEU 26 1HD2 LEU 26 15.620 -2.389 -2.926
203 2HD2 LEU 26 2HD2 LEU 26 16.010 -4.085 -2.646
204 3HD2 LEU 26 3HD2 LEU 26 14.739 -3.649 -3.789
205 H GLU 27 H GLU 27 15.232 -2.710 2.623
206 HA GLU 27 HA GLU 27 16.769 -0.249 2.815
207 1HB GLU 27 1HB GLU 27 15.581 0.174 4.844
208 2HB GLU 27 2HB GLU 27 14.417 -0.423 3.670
209 1HG GLU 27 1HG GLU 27 15.043 -2.736 4.821
210 2HG GLU 27 2HG GLU 27 15.403 -1.659 6.167
211 H HIS 28 H HIS 28 18.539 -2.216 2.507
212 HA HIS 28 HA HIS 28 19.398 -3.526 4.849
213 1HB HIS 28 1HB HIS 28 20.157 -4.282 2.683
214 2HB HIS 28 2HB HIS 28 20.914 -2.728 2.357
215 HD1 HIS 28 HD1 HIS 28 21.309 -5.658 4.767
216 HD2 HIS 28 HD2 HIS 28 23.511 -2.578 3.055
217 HE1 HIS 28 HE1 HIS 28 23.711 -6.031 5.463
218 H GLU 29 H GLU 29 19.869 -0.290 3.661
219 HA GLU 29 HA GLU 29 22.146 0.447 5.106
220 1HB GLU 29 1HB GLU 29 21.362 2.758 4.832
221 2HB GLU 29 2HB GLU 29 21.213 1.843 3.337
222 1HG GLU 29 1HG GLU 29 18.793 1.655 4.875
223 2HG GLU 29 2HG GLU 29 19.244 3.342 4.629
224 H GLY 30 H GLY 30 18.820 0.072 6.091
225 1HA GLY 30 1HA GLY 30 18.837 1.567 8.458
226 2HA GLY 30 2HA GLY 30 17.815 0.171 8.152
227 1HN NH2 31 1HN NH2 31 18.980 -1.976 8.370
228 2HN NH2 31 2HN NH2 31 20.048 -2.139 9.718
229 1H ACE 0 1H ACE 0 -21.827 0.210 6.288
230 2H ACE 0 2H ACE 0 -22.114 1.760 5.498
231 3H ACE 0 3H ACE 0 -20.573 1.450 6.297
232 H GLU 1 H GLU 1 -21.950 1.699 3.354
233 HA GLU 1 HA GLU 1 -20.535 -0.496 2.070
234 1HB GLU 1 1HB GLU 1 -22.343 1.669 0.994
235 2HB GLU 1 2HB GLU 1 -21.558 0.466 -0.020
236 1HG GLU 1 1HG GLU 1 -22.711 -1.302 1.286
237 2HG GLU 1 2HG GLU 1 -23.584 -0.034 2.145
238 H VAL 2 H VAL 2 -20.798 2.902 1.084
239 HA VAL 2 HA VAL 2 -18.216 2.918 -0.100
240 HB VAL 2 HB VAL 2 -19.855 5.333 0.648
241 1HG1 VAL 2 1HG1 VAL 2 -17.619 4.821 -1.286
242 2HG1 VAL 2 2HG1 VAL 2 -18.721 6.185 -1.484
243 3HG1 VAL 2 3HG1 VAL 2 -17.737 6.052 -0.027
244 1HG2 VAL 2 1HG2 VAL 2 -20.532 3.217 -1.138
245 2HG2 VAL 2 2HG2 VAL 2 -21.413 4.707 -0.805
246 3HG2 VAL 2 3HG2 VAL 2 -20.198 4.669 -2.082
247 H GLN 3 H GLN 3 -19.287 3.461 3.101
248 HA GLN 3 HA GLN 3 -16.934 5.002 3.833
249 1HB GLN 3 1HB GLN 3 -19.564 4.497 5.003
250 2HB GLN 3 2HB GLN 3 -18.263 4.421 6.182
251 1HG GLN 3 1HG GLN 3 -17.554 6.644 5.627
252 2HG GLN 3 2HG GLN 3 -18.711 6.725 4.300
253 1HE2 GLN 3 2HE2 GLN 3 -18.178 7.896 7.223
254 2HE2 GLN 3 1HE2 GLN 3 -19.792 8.074 7.812
255 H ALA 4 H ALA 4 -18.500 2.141 5.253
256 HA ALA 4 HA ALA 4 -16.468 1.239 6.828
257 1HB ALA 4 1HB ALA 4 -18.918 0.348 6.315
258 2HB ALA 4 2HB ALA 4 -17.997 -0.861 5.420
259 3HB ALA 4 3HB ALA 4 -17.703 -0.626 7.143
260 H LEU 5 H LEU 5 -16.437 1.216 3.386
261 HA LEU 5 HA LEU 5 -14.227 -0.727 3.394
262 1HB LEU 5 1HB LEU 5 -16.259 0.061 1.385
263 2HB LEU 5 2HB LEU 5 -14.674 -0.369 0.786
264 HG LEU 5 HG LEU 5 -16.025 -2.237 2.679
265 1HD1 LEU 5 1HD1 LEU 5 -17.659 -1.463 0.857
266 2HD1 LEU 5 2HD1 LEU 5 -16.618 -2.351 -0.255
267 3HD1 LEU 5 3HD1 LEU 5 -17.412 -3.196 1.074
268 1HD2 LEU 5 1HD2 LEU 5 -13.919 -2.305 0.605
269 2HD2 LEU 5 2HD2 LEU 5 -14.017 -3.144 2.153
270 3HD2 LEU 5 3HD2 LEU 5 -14.925 -3.744 0.765
271 H LYS 6 H LYS 6 -15.266 2.400 2.294
272 HA LYS 6 HA LYS 6 -13.096 3.331 0.901
273 1HB LYS 6 1HB LYS 6 -15.115 4.569 0.993
274 2HB LYS 6 2HB LYS 6 -15.059 4.645 2.743
275 1HG LYS 6 1HG LYS 6 -14.534 6.799 1.808
276 2HG LYS 6 2HG LYS 6 -13.101 6.130 2.590
277 1HD LYS 6 1HD LYS 6 -11.998 6.509 0.690
278 2HD LYS 6 2HD LYS 6 -12.964 5.229 -0.043
279 1HE LYS 6 1HE LYS 6 -14.695 6.954 -0.573
280 2HE LYS 6 2HE LYS 6 -13.559 8.182 -0.015
281 1HZ LYS 6 1HZ LYS 6 -12.042 6.852 -1.748
282 2HZ LYS 6 2HZ LYS 6 -13.557 6.633 -2.470
283 3HZ LYS 6 3HZ LYS 6 -12.978 8.195 -2.173
284 H LYS 7 H LYS 7 -13.696 3.695 4.391
285 HA LYS 7 HA LYS 7 -11.153 4.865 4.903
286 1HB LYS 7 1HB LYS 7 -11.753 4.680 7.250
287 2HB LYS 7 2HB LYS 7 -13.112 5.288 6.314
288 1HG LYS 7 1HG LYS 7 -13.495 2.553 6.318
289 2HG LYS 7 2HG LYS 7 -12.893 2.899 7.940
290 1HD LYS 7 1HD LYS 7 -15.230 4.253 6.590
291 2HD LYS 7 2HD LYS 7 -15.334 3.026 7.854
292 1HE LYS 7 1HE LYS 7 -13.656 5.362 8.487
293 2HE LYS 7 2HE LYS 7 -15.378 5.693 8.309
294 1HZ LYS 7 1HZ LYS 7 -15.365 3.474 9.839
295 2HZ LYS 7 2HZ LYS 7 -13.984 4.278 10.396
296 3HZ LYS 7 3HZ LYS 7 -15.486 5.054 10.432
297 H ARG 8 H ARG 8 -12.306 1.584 4.762
298 HA ARG 8 HA ARG 8 -10.198 0.447 6.306
299 1HB ARG 8 1HB ARG 8 -11.163 -1.591 5.888
300 2HB ARG 8 2HB ARG 8 -12.536 -0.537 5.604
301 1HG ARG 8 1HG ARG 8 -12.778 -1.505 3.630
302 2HG ARG 8 2HG ARG 8 -11.266 -0.762 3.124
303 1HD ARG 8 1HD ARG 8 -10.362 -2.780 2.946
304 2HD ARG 8 2HD ARG 8 -10.603 -3.028 4.674
305 HE ARG 8 HE ARG 8 -12.201 -4.097 2.517
306 1HH1 ARG 8 1HH1 ARG 8 -12.056 -3.374 5.930
307 2HH1 ARG 8 2HH1 ARG 8 -13.280 -4.525 6.350
308 1HH2 ARG 8 1HH2 ARG 8 -13.810 -5.607 3.070
309 2HH2 ARG 8 2HH2 ARG 8 -14.274 -5.792 4.729
310 H VAL 9 H VAL 9 -10.556 1.364 2.971
311 HA VAL 9 HA VAL 9 -8.396 -0.143 1.916
312 HB VAL 9 HB VAL 9 -9.614 2.440 0.911
313 1HG1 VAL 9 1HG1 VAL 9 -7.284 1.844 0.068
314 2HG1 VAL 9 2HG1 VAL 9 -8.046 0.461 -0.719
315 3HG1 VAL 9 3HG1 VAL 9 -8.535 2.101 -1.146
316 1HG2 VAL 9 1HG2 VAL 9 -10.864 0.053 1.141
317 2HG2 VAL 9 2HG2 VAL 9 -11.229 1.246 -0.105
318 3HG2 VAL 9 3HG2 VAL 9 -10.151 -0.103 -0.464
319 H GLN 10 H GLN 10 -8.650 2.957 3.519
320 HA GLN 10 HA GLN 10 -6.164 4.041 2.844
321 1HB GLN 10 1HB GLN 10 -7.669 4.356 5.447
322 2HB GLN 10 2HB GLN 10 -6.409 5.424 4.845
323 1HG GLN 10 1HG GLN 10 -7.830 6.005 2.934
324 2HG GLN 10 2HG GLN 10 -9.098 4.962 3.577
325 1HE2 GLN 10 2HE2 GLN 10 -8.719 7.966 3.107
326 2HE2 GLN 10 1HE2 GLN 10 -9.272 8.675 4.583
327 H ALA 11 H ALA 11 -7.077 1.665 5.252
328 HA ALA 11 HA ALA 11 -4.693 1.664 6.747
329 1HB ALA 11 1HB ALA 11 -6.849 -0.382 6.335
330 2HB ALA 11 2HB ALA 11 -5.445 -0.700 7.354
331 3HB ALA 11 3HB ALA 11 -6.536 0.629 7.747
332 H LEU 12 H LEU 12 -5.305 0.559 3.571
333 HA LEU 12 HA LEU 12 -3.042 -1.298 3.642
334 1HB LEU 12 1HB LEU 12 -4.566 -0.822 1.136
335 2HB LEU 12 2HB LEU 12 -3.865 -2.301 1.751
336 HG LEU 12 HG LEU 12 -6.237 -1.150 3.157
337 1HD1 LEU 12 1HD1 LEU 12 -6.292 -2.675 0.565
338 2HD1 LEU 12 2HD1 LEU 12 -7.677 -2.505 1.644
339 3HD1 LEU 12 3HD1 LEU 12 -6.967 -1.079 0.890
340 1HD2 LEU 12 1HD2 LEU 12 -4.991 -3.845 2.773
341 2HD2 LEU 12 2HD2 LEU 12 -5.390 -3.004 4.270
342 3HD2 LEU 12 3HD2 LEU 12 -6.675 -3.690 3.276
343 H LYS 13 H LYS 13 -4.169 1.618 1.989
344 HA LYS 13 HA LYS 13 -1.688 1.892 0.532
345 1HB LYS 13 1HB LYS 13 -2.729 3.985 -0.334
346 2HB LYS 13 2HB LYS 13 -3.663 2.529 -0.642
347 1HG LYS 13 1HG LYS 13 -5.402 3.643 0.178
348 2HG LYS 13 2HG LYS 13 -4.662 3.416 1.765
349 1HD LYS 13 1HD LYS 13 -4.552 5.630 1.940
350 2HD LYS 13 2HD LYS 13 -3.335 5.595 0.662
351 1HE LYS 13 1HE LYS 13 -5.340 5.597 -0.953
352 2HE LYS 13 2HE LYS 13 -6.281 6.116 0.446
353 1HZ LYS 13 1HZ LYS 13 -3.827 7.587 -0.049
354 2HZ LYS 13 2HZ LYS 13 -5.048 7.798 -1.199
355 3HZ LYS 13 3HZ LYS 13 -5.349 8.148 0.429
356 H ALA 14 H ALA 14 -3.063 3.111 3.478
357 HA ALA 14 HA ALA 14 -1.697 5.499 3.808
358 1HB ALA 14 1HB ALA 14 -2.540 3.430 5.820
359 2HB ALA 14 2HB ALA 14 -1.806 4.964 6.284
360 3HB ALA 14 3HB ALA 14 -3.338 4.948 5.411
361 H ARG 15 H ARG 15 -0.634 2.221 4.667
362 HA ARG 15 HA ARG 15 2.002 3.165 5.399
363 1HB ARG 15 1HB ARG 15 0.571 1.100 6.308
364 2HB ARG 15 2HB ARG 15 1.445 0.266 5.031
365 1HG ARG 15 1HG ARG 15 2.735 -0.040 6.956
366 2HG ARG 15 2HG ARG 15 3.559 1.234 6.055
367 1HD ARG 15 1HD ARG 15 3.462 1.813 8.402
368 2HD ARG 15 2HD ARG 15 2.457 2.919 7.467
369 HE ARG 15 HE ARG 15 1.016 0.680 8.550
370 1HH1 ARG 15 1HH1 ARG 15 2.181 3.908 9.181
371 2HH1 ARG 15 2HH1 ARG 15 0.992 4.234 10.397
372 1HH2 ARG 15 1HH2 ARG 15 -0.550 1.107 10.148
373 2HH2 ARG 15 2HH2 ARG 15 -0.558 2.644 10.946
374 H ASN 16 H ASN 16 0.521 1.252 2.813
375 HA ASN 16 HA ASN 16 2.820 0.555 1.409
376 1HB ASN 16 1HB ASN 16 0.575 -0.352 0.932
377 2HB ASN 16 2HB ASN 16 0.095 1.204 0.271
378 1HD2 ASN 16 2HD2 ASN 16 -0.393 -0.076 -1.635
379 2HD2 ASN 16 1HD2 ASN 16 0.873 -0.424 -2.758
380 H TYR 17 H TYR 17 0.702 3.385 0.913
381 HA TYR 17 HA TYR 17 2.075 4.574 -1.172
382 1HB TYR 17 1HB TYR 17 -0.065 5.437 -0.446
383 2HB TYR 17 2HB TYR 17 0.599 5.880 1.123
384 HD1 TYR 17 HD1 TYR 17 1.400 6.505 -2.481
385 HD2 TYR 17 HD2 TYR 17 0.995 8.126 1.432
386 HE1 TYR 17 HE1 TYR 17 1.963 8.735 -3.352
387 HE2 TYR 17 HE2 TYR 17 1.556 10.359 0.572
388 HH TYR 17 HH TYR 17 1.392 11.541 -1.731
389 H ALA 18 H ALA 18 2.757 4.642 2.275
390 HA ALA 18 HA ALA 18 4.779 6.627 2.172
391 1HB ALA 18 1HB ALA 18 3.558 5.898 4.235
392 2HB ALA 18 2HB ALA 18 4.524 4.422 4.212
393 3HB ALA 18 3HB ALA 18 5.311 5.987 4.412
394 H LEU 19 H LEU 19 4.942 3.060 2.275
395 HA LEU 19 HA LEU 19 7.751 2.959 2.049
396 1HB LEU 19 1HB LEU 19 6.120 0.754 0.921
397 2HB LEU 19 2HB LEU 19 7.575 0.684 1.889
398 HG LEU 19 HG LEU 19 4.739 0.975 2.788
399 1HD1 LEU 19 1HD1 LEU 19 6.020 -1.203 2.568
400 2HD1 LEU 19 2HD1 LEU 19 6.976 -0.645 3.940
401 3HD1 LEU 19 3HD1 LEU 19 5.237 -0.881 4.116
402 1HD2 LEU 19 1HD2 LEU 19 7.135 2.176 4.043
403 2HD2 LEU 19 2HD2 LEU 19 5.438 2.640 4.163
404 3HD2 LEU 19 3HD2 LEU 19 6.049 1.282 5.106
405 H LYS 20 H LYS 20 5.183 2.479 -0.345
406 HA LYS 20 HA LYS 20 6.546 2.032 -2.639
407 1HB LYS 20 1HB LYS 20 3.990 2.746 -2.081
408 2HB LYS 20 2HB LYS 20 4.550 4.192 -2.910
409 1HG LYS 20 1HG LYS 20 5.368 2.609 -4.741
410 2HG LYS 20 2HG LYS 20 4.367 1.388 -3.953
411 1HD LYS 20 1HD LYS 20 2.471 3.099 -4.120
412 2HD LYS 20 2HD LYS 20 3.514 3.958 -5.254
413 1HE LYS 20 1HE LYS 20 3.663 1.470 -6.271
414 2HE LYS 20 2HE LYS 20 2.046 1.417 -5.570
415 1HZ LYS 20 1HZ LYS 20 1.919 3.742 -6.810
416 2HZ LYS 20 2HZ LYS 20 3.049 2.980 -7.815
417 3HZ LYS 20 3HZ LYS 20 1.526 2.286 -7.574
418 H GLN 21 H GLN 21 6.496 5.018 -0.830
419 HA GLN 21 HA GLN 21 7.779 6.578 -2.873
420 1HB GLN 21 1HB GLN 21 6.320 7.723 -1.359
421 2HB GLN 21 2HB GLN 21 7.187 7.102 0.038
422 1HG GLN 21 1HG GLN 21 9.033 8.507 -1.602
423 2HG GLN 21 2HG GLN 21 7.604 9.515 -1.382
424 1HE2 GLN 21 2HE2 GLN 21 9.931 7.545 0.406
425 2HE2 GLN 21 1HE2 GLN 21 9.926 8.518 1.834
426 H LYS 22 H LYS 22 8.779 5.063 0.182
427 HA LYS 22 HA LYS 22 11.533 5.877 -0.146
428 1HB LYS 22 1HB LYS 22 11.850 4.339 1.878
429 2HB LYS 22 2HB LYS 22 10.848 5.764 2.105
430 1HG LYS 22 1HG LYS 22 9.014 4.565 2.529
431 2HG LYS 22 2HG LYS 22 9.359 3.416 1.248
432 1HD LYS 22 1HD LYS 22 10.406 3.400 4.056
433 2HD LYS 22 2HD LYS 22 9.372 2.212 3.284
434 1HE LYS 22 1HE LYS 22 12.270 2.765 2.670
435 2HE LYS 22 2HE LYS 22 11.597 1.326 3.428
436 1HZ LYS 22 1HZ LYS 22 10.313 1.749 0.964
437 2HZ LYS 22 2HZ LYS 22 11.984 1.802 0.714
438 3HZ LYS 22 3HZ LYS 22 11.281 0.446 1.438
439 H VAL 23 H VAL 23 9.587 3.089 -0.868
440 HA VAL 23 HA VAL 23 11.354 1.016 -0.984
441 HB VAL 23 HB VAL 23 9.196 1.645 -3.003
442 1HG1 VAL 23 1HG1 VAL 23 10.777 0.001 -3.883
443 2HG1 VAL 23 2HG1 VAL 23 10.585 -0.972 -2.424
444 3HG1 VAL 23 3HG1 VAL 23 9.222 -0.746 -3.519
445 1HG2 VAL 23 1HG2 VAL 23 8.966 1.096 -0.302
446 2HG2 VAL 23 2HG2 VAL 23 7.696 0.928 -1.513
447 3HG2 VAL 23 3HG2 VAL 23 8.683 -0.465 -1.073
448 H GLN 24 H GLN 24 10.642 3.162 -3.751
449 HA GLN 24 HA GLN 24 12.630 2.204 -5.448
450 1HB GLN 24 1HB GLN 24 12.419 4.387 -6.621
451 2HB GLN 24 2HB GLN 24 10.872 3.619 -6.293
452 1HG GLN 24 1HG GLN 24 10.682 5.087 -4.270
453 2HG GLN 24 2HG GLN 24 12.107 5.948 -4.850
454 1HE2 GLN 24 2HE2 GLN 24 11.907 6.607 -7.233
455 2HE2 GLN 24 1HE2 GLN 24 10.408 7.338 -7.683
456 H ALA 25 H ALA 25 12.769 4.667 -2.936
457 HA ALA 25 HA ALA 25 15.292 5.732 -3.517
458 1HB ALA 25 1HB ALA 25 13.498 6.505 -1.817
459 2HB ALA 25 2HB ALA 25 14.330 5.424 -0.700
460 3HB ALA 25 3HB ALA 25 15.201 6.766 -1.443
461 H LEU 26 H LEU 26 14.343 2.936 -1.575
462 HA LEU 26 HA LEU 26 16.857 2.321 -0.499
463 1HB LEU 26 1HB LEU 26 14.541 0.522 -1.208
464 2HB LEU 26 2HB LEU 26 15.939 -0.001 -0.290
465 HG LEU 26 HG LEU 26 13.996 2.144 0.567
466 1HD1 LEU 26 1HD1 LEU 26 14.352 -0.694 1.514
467 2HD1 LEU 26 2HD1 LEU 26 13.289 0.506 2.247
468 3HD1 LEU 26 3HD1 LEU 26 12.981 -0.060 0.605
469 1HD2 LEU 26 1HD2 LEU 26 16.623 1.286 1.549
470 2HD2 LEU 26 2HD2 LEU 26 15.746 2.793 1.814
471 3HD2 LEU 26 3HD2 LEU 26 15.366 1.370 2.784
472 H ARG 27 H ARG 27 15.233 0.662 -3.202
473 HA ARG 27 HA ARG 27 17.469 -0.756 -4.081
474 1HB ARG 27 1HB ARG 27 16.198 -0.920 -6.260
475 2HB ARG 27 2HB ARG 27 15.330 -1.457 -4.827
476 1HG ARG 27 1HG ARG 27 14.660 1.210 -5.016
477 2HG ARG 27 2HG ARG 27 14.706 0.672 -6.697
478 1HD ARG 27 1HD ARG 27 13.374 -1.384 -5.587
479 2HD ARG 27 2HD ARG 27 12.874 -0.083 -4.508
480 HE ARG 27 HE ARG 27 12.518 0.923 -7.026
481 1HH1 ARG 27 1HH1 ARG 27 11.366 -1.879 -5.295
482 2HH1 ARG 27 2HH1 ARG 27 9.868 -1.953 -6.160
483 1HH2 ARG 27 1HH2 ARG 27 10.549 0.829 -8.166
484 2HH2 ARG 27 2HH2 ARG 27 9.404 -0.416 -7.791
485 H HIS 28 H HIS 28 16.624 2.561 -4.509
486 HA HIS 28 HA HIS 28 17.932 3.177 -6.890
487 1HB HIS 28 1HB HIS 28 16.666 4.606 -4.829
488 2HB HIS 28 2HB HIS 28 18.286 5.283 -4.942
489 HD1 HIS 28 HD1 HIS 28 15.111 6.016 -6.170
490 HD2 HIS 28 HD2 HIS 28 18.825 5.613 -7.987
491 HE1 HIS 28 HE1 HIS 28 14.968 7.268 -8.363
492 H LYS 29 H LYS 29 19.199 2.617 -3.680
493 HA LYS 29 HA LYS 29 21.742 3.743 -3.971
494 1HB LYS 29 1HB LYS 29 20.530 2.650 -1.906
495 2HB LYS 29 2HB LYS 29 21.378 1.203 -2.433
496 1HG LYS 29 1HG LYS 29 23.504 2.520 -2.335
497 2HG LYS 29 2HG LYS 29 22.581 3.824 -1.584
498 1HD LYS 29 1HD LYS 29 23.142 2.811 0.343
499 2HD LYS 29 2HD LYS 29 21.835 1.696 -0.064
500 1HE LYS 29 1HE LYS 29 23.249 0.005 -0.489
501 2HE LYS 29 2HE LYS 29 24.405 1.050 -1.314
502 1HZ LYS 29 1HZ LYS 29 24.208 1.386 1.567
503 2HZ LYS 29 2HZ LYS 29 24.879 -0.075 1.040
504 3HZ LYS 29 3HZ LYS 29 25.572 1.392 0.564
505 H GLY 30 H GLY 30 23.350 3.265 -5.303
506 1HA GLY 30 1HA GLY 30 24.707 1.032 -5.757
507 2HA GLY 30 2HA GLY 30 23.296 0.739 -6.762
508 1HN NH2 31 1HN NH2 31 22.770 3.009 -7.988
509 2HN NH2 31 2HN NH2 31 24.110 3.566 -8.926
Start of MODEL 10
1 1H ACE 0 1H ACE 0 -19.486 7.907 -5.355
2 2H ACE 0 2H ACE 0 -18.146 7.502 -6.430
3 3H ACE 0 3H ACE 0 -18.026 7.161 -4.704
4 H GLU 1 H GLU 1 -17.634 5.211 -6.710
5 HA GLU 1 HA GLU 1 -20.061 3.612 -6.804
6 1HB GLU 1 1HB GLU 1 -18.111 3.934 -8.625
7 2HB GLU 1 2HB GLU 1 -17.486 2.517 -7.794
8 1HG GLU 1 1HG GLU 1 -20.024 1.738 -8.147
9 2HG GLU 1 2HG GLU 1 -19.846 2.811 -9.536
10 H VAL 2 H VAL 2 -20.477 1.904 -5.546
11 HA VAL 2 HA VAL 2 -18.968 1.439 -3.203
12 HB VAL 2 HB VAL 2 -21.033 -0.415 -4.392
13 1HG1 VAL 2 1HG1 VAL 2 -19.724 -1.336 -2.534
14 2HG1 VAL 2 2HG1 VAL 2 -20.178 0.047 -1.536
15 3HG1 VAL 2 3HG1 VAL 2 -21.411 -1.088 -2.086
16 1HG2 VAL 2 1HG2 VAL 2 -21.360 2.099 -2.776
17 2HG2 VAL 2 2HG2 VAL 2 -22.095 1.689 -4.325
18 3HG2 VAL 2 3HG2 VAL 2 -22.607 0.854 -2.858
19 H ALA 3 H ALA 3 -19.378 -0.477 -6.174
20 HA ALA 3 HA ALA 3 -17.764 -2.639 -5.437
21 1HB ALA 3 1HB ALA 3 -19.327 -2.137 -7.550
22 2HB ALA 3 2HB ALA 3 -17.749 -1.843 -8.283
23 3HB ALA 3 3HB ALA 3 -18.100 -3.405 -7.541
24 H GLN 4 H GLN 4 -16.954 0.510 -6.734
25 HA GLN 4 HA GLN 4 -14.339 0.016 -7.582
26 1HB GLN 4 1HB GLN 4 -15.831 2.434 -6.672
27 2HB GLN 4 2HB GLN 4 -14.083 2.544 -6.831
28 1HG GLN 4 1HG GLN 4 -14.292 1.772 -9.171
29 2HG GLN 4 2HG GLN 4 -16.046 1.805 -8.988
30 1HE2 GLN 4 2HE2 GLN 4 -15.480 3.268 -10.932
31 2HE2 GLN 4 1HE2 GLN 4 -15.350 4.952 -10.572
32 H LEU 5 H LEU 5 -15.587 0.906 -4.391
33 HA LEU 5 HA LEU 5 -13.020 1.086 -3.166
34 1HB LEU 5 1HB LEU 5 -15.759 0.721 -1.950
35 2HB LEU 5 2HB LEU 5 -14.302 1.079 -1.043
36 HG LEU 5 HG LEU 5 -15.474 2.885 -3.157
37 1HD1 LEU 5 1HD1 LEU 5 -15.901 2.689 -0.219
38 2HD1 LEU 5 2HD1 LEU 5 -15.854 4.285 -0.968
39 3HD1 LEU 5 3HD1 LEU 5 -17.040 3.095 -1.503
40 1HD2 LEU 5 1HD2 LEU 5 -13.022 3.051 -2.785
41 2HD2 LEU 5 2HD2 LEU 5 -13.906 4.518 -2.366
42 3HD2 LEU 5 3HD2 LEU 5 -13.346 3.432 -1.094
43 H GLU 6 H GLU 6 -15.355 -1.480 -3.632
44 HA GLU 6 HA GLU 6 -14.431 -3.340 -1.771
45 1HB GLU 6 1HB GLU 6 -15.899 -3.501 -4.356
46 2HB GLU 6 2HB GLU 6 -15.234 -4.990 -3.703
47 1HG GLU 6 1HG GLU 6 -16.429 -4.260 -1.518
48 2HG GLU 6 2HG GLU 6 -17.368 -3.224 -2.592
49 H LYS 7 H LYS 7 -13.473 -2.879 -5.162
50 HA LYS 7 HA LYS 7 -11.416 -4.877 -4.983
51 1HB LYS 7 1HB LYS 7 -12.294 -2.948 -7.111
52 2HB LYS 7 2HB LYS 7 -10.796 -3.854 -7.283
53 1HG LYS 7 1HG LYS 7 -12.360 -5.147 -8.412
54 2HG LYS 7 2HG LYS 7 -12.230 -5.932 -6.837
55 1HD LYS 7 1HD LYS 7 -14.224 -3.957 -6.594
56 2HD LYS 7 2HD LYS 7 -14.534 -4.802 -8.111
57 1HE LYS 7 1HE LYS 7 -13.859 -6.528 -5.828
58 2HE LYS 7 2HE LYS 7 -15.380 -5.648 -5.677
59 1HZ LYS 7 1HZ LYS 7 -14.724 -7.174 -8.121
60 2HZ LYS 7 2HZ LYS 7 -15.431 -7.926 -6.781
61 3HZ LYS 7 3HZ LYS 7 -16.240 -6.665 -7.568
62 H GLU 8 H GLU 8 -11.645 -1.441 -4.550
63 HA GLU 8 HA GLU 8 -9.011 -0.654 -4.958
64 1HB GLU 8 1HB GLU 8 -11.010 0.816 -4.452
65 2HB GLU 8 2HB GLU 8 -10.777 0.409 -2.757
66 1HG GLU 8 1HG GLU 8 -8.506 1.349 -2.871
67 2HG GLU 8 2HG GLU 8 -8.803 1.810 -4.546
68 H VAL 9 H VAL 9 -10.450 -2.453 -2.355
69 HA VAL 9 HA VAL 9 -8.280 -2.126 -0.516
70 HB VAL 9 HB VAL 9 -10.565 -4.101 -0.596
71 1HG1 VAL 9 1HG1 VAL 9 -8.452 -3.716 1.521
72 2HG1 VAL 9 2HG1 VAL 9 -9.943 -4.627 1.753
73 3HG1 VAL 9 3HG1 VAL 9 -8.753 -5.169 0.570
74 1HG2 VAL 9 1HG2 VAL 9 -11.199 -1.778 -0.183
75 2HG2 VAL 9 2HG2 VAL 9 -11.442 -2.772 1.255
76 3HG2 VAL 9 3HG2 VAL 9 -10.047 -1.698 1.151
77 H ALA 10 H ALA 10 -9.437 -4.930 -2.400
78 HA ALA 10 HA ALA 10 -7.305 -6.633 -1.891
79 1HB ALA 10 1HB ALA 10 -9.373 -6.434 -3.997
80 2HB ALA 10 2HB ALA 10 -7.967 -7.438 -4.354
81 3HB ALA 10 3HB ALA 10 -8.958 -7.781 -2.936
82 H GLN 11 H GLN 11 -7.563 -3.936 -4.079
83 HA GLN 11 HA GLN 11 -5.387 -4.494 -5.763
84 1HB GLN 11 1HB GLN 11 -7.050 -2.760 -6.256
85 2HB GLN 11 2HB GLN 11 -6.481 -1.815 -4.886
86 1HG GLN 11 1HG GLN 11 -5.442 -0.790 -6.662
87 2HG GLN 11 2HG GLN 11 -4.194 -1.895 -6.087
88 1HE2 GLN 11 2HE2 GLN 11 -5.493 -0.704 -8.780
89 2HE2 GLN 11 1HE2 GLN 11 -5.256 -2.027 -9.865
90 H LEU 12 H LEU 12 -5.537 -2.428 -2.850
91 HA LEU 12 HA LEU 12 -2.722 -1.991 -2.795
92 1HB LEU 12 1HB LEU 12 -4.722 -1.677 -0.557
93 2HB LEU 12 2HB LEU 12 -3.104 -1.003 -0.602
94 HG LEU 12 HG LEU 12 -5.259 -0.266 -2.579
95 1HD1 LEU 12 1HD1 LEU 12 -4.457 1.023 0.018
96 2HD1 LEU 12 2HD1 LEU 12 -5.353 1.862 -1.247
97 3HD1 LEU 12 3HD1 LEU 12 -6.052 0.449 -0.460
98 1HD2 LEU 12 1HD2 LEU 12 -2.769 0.026 -3.112
99 2HD2 LEU 12 2HD2 LEU 12 -3.819 1.430 -3.294
100 3HD2 LEU 12 3HD2 LEU 12 -2.787 1.279 -1.872
101 H GLU 13 H GLU 13 -4.843 -4.413 -1.454
102 HA GLU 13 HA GLU 13 -3.131 -5.422 0.535
103 1HB GLU 13 1HB GLU 13 -5.440 -6.542 -1.009
104 2HB GLU 13 2HB GLU 13 -4.478 -7.613 0.000
105 1HG GLU 13 1HG GLU 13 -4.982 -6.309 1.955
106 2HG GLU 13 2HG GLU 13 -5.822 -5.106 0.978
107 H ALA 14 H ALA 14 -3.178 -5.804 -2.915
108 HA ALA 14 HA ALA 14 -1.312 -8.034 -2.857
109 1HB ALA 14 1HB ALA 14 -3.275 -7.431 -4.594
110 2HB ALA 14 2HB ALA 14 -1.900 -6.694 -5.419
111 3HB ALA 14 3HB ALA 14 -1.870 -8.411 -5.014
112 H GLU 15 H GLU 15 -1.341 -4.584 -3.390
113 HA GLU 15 HA GLU 15 1.401 -4.544 -4.346
114 1HB GLU 15 1HB GLU 15 -0.571 -2.961 -5.028
115 2HB GLU 15 2HB GLU 15 -0.133 -2.091 -3.564
116 1HG GLU 15 1HG GLU 15 1.311 -0.982 -4.832
117 2HG GLU 15 2HG GLU 15 2.288 -2.449 -4.805
118 H ASN 16 H ASN 16 -0.368 -3.102 -1.601
119 HA ASN 16 HA ASN 16 1.769 -2.123 -0.166
120 1HB ASN 16 1HB ASN 16 -0.567 -1.698 0.434
121 2HB ASN 16 2HB ASN 16 -0.768 -3.379 0.911
122 1HD2 ASN 16 2HD2 ASN 16 -1.488 -2.113 2.868
123 2HD2 ASN 16 1HD2 ASN 16 -0.290 -1.795 4.067
124 H TYR 17 H TYR 17 0.736 -5.422 -0.550
125 HA TYR 17 HA TYR 17 2.454 -6.382 1.591
126 1HB TYR 17 1HB TYR 17 0.389 -7.545 1.416
127 2HB TYR 17 2HB TYR 17 0.560 -7.741 -0.324
128 HD1 TYR 17 HD1 TYR 17 2.133 -8.756 2.898
129 HD2 TYR 17 HD2 TYR 17 1.437 -9.718 -1.186
130 HE1 TYR 17 HE1 TYR 17 3.140 -10.971 3.255
131 HE2 TYR 17 HE2 TYR 17 2.441 -11.936 -0.842
132 HH TYR 17 HH TYR 17 3.939 -13.067 0.658
133 H GLN 18 H GLN 18 2.356 -6.288 -1.920
134 HA GLN 18 HA GLN 18 4.525 -8.047 -2.373
135 1HB GLN 18 1HB GLN 18 2.911 -6.168 -3.966
136 2HB GLN 18 2HB GLN 18 4.542 -6.434 -4.568
137 1HG GLN 18 1HG GLN 18 3.222 -8.911 -3.839
138 2HG GLN 18 2HG GLN 18 2.329 -8.002 -5.058
139 1HE2 GLN 18 2HE2 GLN 18 5.131 -9.860 -4.365
140 2HE2 GLN 18 1HE2 GLN 18 5.781 -9.890 -5.965
141 H LEU 19 H LEU 19 4.370 -4.710 -1.453
142 HA LEU 19 HA LEU 19 7.140 -4.224 -2.198
143 1HB LEU 19 1HB LEU 19 5.136 -2.432 -0.836
144 2HB LEU 19 2HB LEU 19 6.729 -1.945 -1.382
145 HG LEU 19 HG LEU 19 4.747 -3.069 -3.330
146 1HD1 LEU 19 1HD1 LEU 19 4.855 -0.267 -2.251
147 2HD1 LEU 19 2HD1 LEU 19 4.156 -0.663 -3.821
148 3HD1 LEU 19 3HD1 LEU 19 3.466 -1.350 -2.351
149 1HD2 LEU 19 1HD2 LEU 19 7.350 -2.405 -3.599
150 2HD2 LEU 19 2HD2 LEU 19 6.172 -2.335 -4.910
151 3HD2 LEU 19 3HD2 LEU 19 6.583 -0.873 -4.013
152 H GLU 20 H GLU 20 5.150 -4.323 0.747
153 HA GLU 20 HA GLU 20 6.981 -3.692 2.671
154 1HB GLU 20 1HB GLU 20 4.489 -4.473 2.839
155 2HB GLU 20 2HB GLU 20 5.196 -6.058 3.107
156 1HG GLU 20 1HG GLU 20 5.493 -3.589 4.787
157 2HG GLU 20 2HG GLU 20 4.778 -5.138 5.232
158 H GLN 21 H GLN 21 6.596 -6.822 1.064
159 HA GLN 21 HA GLN 21 8.590 -8.142 2.613
160 1HB GLN 21 1HB GLN 21 6.632 -8.963 0.880
161 2HB GLN 21 2HB GLN 21 8.086 -9.213 -0.076
162 1HG GLN 21 1HG GLN 21 8.922 -10.351 2.157
163 2HG GLN 21 2HG GLN 21 7.189 -10.556 2.409
164 1HE2 GLN 21 2HE2 GLN 21 6.149 -11.168 0.094
165 2HE2 GLN 21 1HE2 GLN 21 6.865 -12.579 -0.599
166 H GLU 22 H GLU 22 8.648 -6.130 -0.212
167 HA GLU 22 HA GLU 22 11.354 -6.934 -0.919
168 1HB GLU 22 1HB GLU 22 9.262 -6.052 -2.427
169 2HB GLU 22 2HB GLU 22 10.187 -4.569 -2.236
170 1HG GLU 22 1HG GLU 22 11.251 -5.311 -4.063
171 2HG GLU 22 2HG GLU 22 12.162 -6.268 -2.896
172 H VAL 23 H VAL 23 9.690 -4.391 0.763
173 HA VAL 23 HA VAL 23 11.909 -2.565 0.775
174 HB VAL 23 HB VAL 23 9.554 -2.497 2.653
175 1HG1 VAL 23 1HG1 VAL 23 11.747 -0.955 2.648
176 2HG1 VAL 23 2HG1 VAL 23 10.750 -0.054 1.505
177 3HG1 VAL 23 3HG1 VAL 23 10.156 -0.372 3.135
178 1HG2 VAL 23 1HG2 VAL 23 9.470 -2.370 -0.189
179 2HG2 VAL 23 2HG2 VAL 23 8.157 -2.135 0.965
180 3HG2 VAL 23 3HG2 VAL 23 9.132 -0.760 0.449
181 H ALA 24 H ALA 24 10.674 -5.089 2.853
182 HA ALA 24 HA ALA 24 11.983 -4.474 5.234
183 1HB ALA 24 1HB ALA 24 10.274 -6.194 5.089
184 2HB ALA 24 2HB ALA 24 11.339 -7.193 4.101
185 3HB ALA 24 3HB ALA 24 11.755 -6.855 5.780
186 H GLN 25 H GLN 25 13.206 -5.840 2.274
187 HA GLN 25 HA GLN 25 15.769 -6.469 3.545
188 1HB GLN 25 1HB GLN 25 14.640 -7.120 0.823
189 2HB GLN 25 2HB GLN 25 16.303 -7.460 1.280
190 1HG GLN 25 1HG GLN 25 15.645 -9.392 2.122
191 2HG GLN 25 2HG GLN 25 14.687 -8.521 3.319
192 1HE2 GLN 25 2HE2 GLN 25 13.184 -10.242 3.286
193 2HE2 GLN 25 1HE2 GLN 25 12.036 -10.396 2.005
194 H LEU 26 H LEU 26 14.332 -4.413 1.068
195 HA LEU 26 HA LEU 26 16.698 -3.329 0.024
196 1HB LEU 26 1HB LEU 26 13.915 -2.191 0.237
197 2HB LEU 26 2HB LEU 26 15.215 -1.392 -0.628
198 HG LEU 26 HG LEU 26 14.462 -4.205 -1.330
199 1HD1 LEU 26 1HD1 LEU 26 12.400 -2.774 -1.290
200 2HD1 LEU 26 2HD1 LEU 26 13.158 -1.773 -2.529
201 3HD1 LEU 26 3HD1 LEU 26 12.803 -3.469 -2.861
202 1HD2 LEU 26 1HD2 LEU 26 16.140 -2.076 -2.404
203 2HD2 LEU 26 2HD2 LEU 26 16.188 -3.814 -2.692
204 3HD2 LEU 26 3HD2 LEU 26 15.073 -2.799 -3.606
205 H GLU 27 H GLU 27 14.681 -2.325 2.753
206 HA GLU 27 HA GLU 27 16.382 -0.056 3.328
207 1HB GLU 27 1HB GLU 27 14.858 0.406 5.145
208 2HB GLU 27 2HB GLU 27 13.935 0.039 3.695
209 1HG GLU 27 1HG GLU 27 12.818 -1.499 4.815
210 2HG GLU 27 2HG GLU 27 14.315 -2.397 5.056
211 H HIS 28 H HIS 28 16.296 -3.371 4.139
212 HA HIS 28 HA HIS 28 17.268 -3.452 6.728
213 1HB HIS 28 1HB HIS 28 16.593 -5.394 5.209
214 2HB HIS 28 2HB HIS 28 18.225 -5.311 4.556
215 HD1 HIS 28 HD1 HIS 28 17.044 -5.189 8.189
216 HD2 HIS 28 HD2 HIS 28 19.518 -7.375 5.666
217 HE1 HIS 28 HE1 HIS 28 18.198 -6.908 9.641
218 H GLU 29 H GLU 29 19.303 -3.760 3.809
219 HA GLU 29 HA GLU 29 21.639 -2.989 5.345
220 1HB GLU 29 1HB GLU 29 21.329 -4.734 3.310
221 2HB GLU 29 2HB GLU 29 21.838 -3.314 2.407
222 1HG GLU 29 1HG GLU 29 23.905 -4.020 2.835
223 2HG GLU 29 2HG GLU 29 23.644 -3.350 4.444
224 H GLY 30 H GLY 30 21.485 -0.836 5.826
225 1HA GLY 30 1HA GLY 30 22.260 1.018 3.834
226 2HA GLY 30 2HA GLY 30 20.545 1.196 4.167
227 1HN NH2 31 1HN NH2 31 19.926 1.619 6.403
228 2HN NH2 31 2HN NH2 31 20.993 2.531 7.410
229 1H ACE 0 1H ACE 0 -17.823 -3.020 4.174
230 2H ACE 0 2H ACE 0 -18.144 -4.248 2.951
231 3H ACE 0 3H ACE 0 -19.379 -3.850 4.145
232 H GLU 1 H GLU 1 -19.641 -1.241 4.168
233 HA GLU 1 HA GLU 1 -20.581 -0.614 1.492
234 1HB GLU 1 1HB GLU 1 -21.027 0.677 4.179
235 2HB GLU 1 2HB GLU 1 -21.613 1.384 2.681
236 1HG GLU 1 1HG GLU 1 -23.320 -0.044 2.526
237 2HG GLU 1 2HG GLU 1 -22.339 -1.423 3.021
238 H VAL 2 H VAL 2 -20.507 1.987 1.184
239 HA VAL 2 HA VAL 2 -18.064 2.642 0.198
240 HB VAL 2 HB VAL 2 -19.855 4.692 1.485
241 1HG1 VAL 2 1HG1 VAL 2 -17.444 5.063 0.345
242 2HG1 VAL 2 2HG1 VAL 2 -18.486 5.209 -1.070
243 3HG1 VAL 2 3HG1 VAL 2 -18.735 6.263 0.321
244 1HG2 VAL 2 1HG2 VAL 2 -20.262 3.003 -0.902
245 2HG2 VAL 2 2HG2 VAL 2 -21.441 3.766 0.165
246 3HG2 VAL 2 3HG2 VAL 2 -20.634 4.718 -1.081
247 H GLN 3 H GLN 3 -19.161 4.224 3.154
248 HA GLN 3 HA GLN 3 -16.596 4.991 3.984
249 1HB GLN 3 1HB GLN 3 -19.097 4.627 5.642
250 2HB GLN 3 2HB GLN 3 -17.658 5.500 6.153
251 1HG GLN 3 1HG GLN 3 -18.149 7.314 4.910
252 2HG GLN 3 2HG GLN 3 -18.863 6.366 3.606
253 1HE2 GLN 3 2HE2 GLN 3 -20.231 8.482 4.060
254 2HE2 GLN 3 1HE2 GLN 3 -21.641 8.204 5.017
255 H ALA 4 H ALA 4 -18.545 2.153 4.754
256 HA ALA 4 HA ALA 4 -16.942 1.156 6.840
257 1HB ALA 4 1HB ALA 4 -19.264 0.343 5.437
258 2HB ALA 4 2HB ALA 4 -18.138 -1.015 5.454
259 3HB ALA 4 3HB ALA 4 -18.635 -0.263 6.969
260 H LEU 5 H LEU 5 -16.455 1.171 3.421
261 HA LEU 5 HA LEU 5 -14.260 -0.784 3.715
262 1HB LEU 5 1HB LEU 5 -16.111 -0.115 1.491
263 2HB LEU 5 2HB LEU 5 -14.475 -0.554 1.059
264 HG LEU 5 HG LEU 5 -16.188 -2.306 2.807
265 1HD1 LEU 5 1HD1 LEU 5 -17.179 -1.758 0.498
266 2HD1 LEU 5 2HD1 LEU 5 -15.848 -2.724 -0.139
267 3HD1 LEU 5 3HD1 LEU 5 -17.018 -3.451 0.962
268 1HD2 LEU 5 1HD2 LEU 5 -13.538 -2.478 1.523
269 2HD2 LEU 5 2HD2 LEU 5 -14.134 -3.219 3.008
270 3HD2 LEU 5 3HD2 LEU 5 -14.537 -3.931 1.445
271 H LYS 6 H LYS 6 -15.226 2.183 2.136
272 HA LYS 6 HA LYS 6 -12.987 3.121 0.953
273 1HB LYS 6 1HB LYS 6 -15.072 4.305 0.871
274 2HB LYS 6 2HB LYS 6 -15.052 4.555 2.607
275 1HG LYS 6 1HG LYS 6 -14.239 6.576 2.146
276 2HG LYS 6 2HG LYS 6 -12.716 5.760 1.792
277 1HD LYS 6 1HD LYS 6 -13.130 7.088 -0.096
278 2HD LYS 6 2HD LYS 6 -13.628 5.465 -0.577
279 1HE LYS 6 1HE LYS 6 -15.479 6.556 -1.277
280 2HE LYS 6 2HE LYS 6 -15.949 6.370 0.412
281 1HZ LYS 6 1HZ LYS 6 -14.384 8.732 -0.267
282 2HZ LYS 6 2HZ LYS 6 -15.980 8.696 -0.825
283 3HZ LYS 6 3HZ LYS 6 -15.658 8.559 0.831
284 H LYS 7 H LYS 7 -13.674 3.119 4.415
285 HA LYS 7 HA LYS 7 -11.314 4.637 5.067
286 1HB LYS 7 1HB LYS 7 -13.584 3.450 6.552
287 2HB LYS 7 2HB LYS 7 -12.074 3.602 7.442
288 1HG LYS 7 1HG LYS 7 -13.267 5.566 7.894
289 2HG LYS 7 2HG LYS 7 -12.050 6.027 6.702
290 1HD LYS 7 1HD LYS 7 -14.565 5.124 5.519
291 2HD LYS 7 2HD LYS 7 -14.738 6.557 6.534
292 1HE LYS 7 1HE LYS 7 -12.662 6.296 4.368
293 2HE LYS 7 2HE LYS 7 -14.257 6.998 4.102
294 1HZ LYS 7 1HZ LYS 7 -12.715 8.058 6.335
295 2HZ LYS 7 2HZ LYS 7 -12.158 8.441 4.784
296 3HZ LYS 7 3HZ LYS 7 -13.732 8.857 5.244
297 H ARG 8 H ARG 8 -12.211 1.258 4.892
298 HA ARG 8 HA ARG 8 -9.966 0.288 6.350
299 1HB ARG 8 1HB ARG 8 -10.745 -1.841 5.891
300 2HB ARG 8 2HB ARG 8 -12.217 -0.890 5.808
301 1HG ARG 8 1HG ARG 8 -12.602 -1.652 3.767
302 2HG ARG 8 2HG ARG 8 -11.082 -0.960 3.204
303 1HD ARG 8 1HD ARG 8 -10.313 -3.023 2.894
304 2HD ARG 8 2HD ARG 8 -10.399 -3.280 4.634
305 HE ARG 8 HE ARG 8 -12.205 -4.295 2.632
306 1HH1 ARG 8 1HH1 ARG 8 -11.792 -3.526 6.012
307 2HH1 ARG 8 2HH1 ARG 8 -13.029 -4.615 6.540
308 1HH2 ARG 8 1HH2 ARG 8 -13.835 -5.726 3.325
309 2HH2 ARG 8 2HH2 ARG 8 -14.190 -5.865 5.015
310 H VAL 9 H VAL 9 -10.472 1.272 3.071
311 HA VAL 9 HA VAL 9 -8.296 -0.111 1.885
312 HB VAL 9 HB VAL 9 -9.614 2.471 1.018
313 1HG1 VAL 9 1HG1 VAL 9 -7.322 1.942 0.055
314 2HG1 VAL 9 2HG1 VAL 9 -8.084 0.554 -0.721
315 3HG1 VAL 9 3HG1 VAL 9 -8.628 2.187 -1.102
316 1HG2 VAL 9 1HG2 VAL 9 -10.867 0.117 1.252
317 2HG2 VAL 9 2HG2 VAL 9 -11.230 1.277 -0.026
318 3HG2 VAL 9 3HG2 VAL 9 -10.164 -0.090 -0.352
319 H GLN 10 H GLN 10 -8.636 3.077 3.376
320 HA GLN 10 HA GLN 10 -6.164 4.159 2.716
321 1HB GLN 10 1HB GLN 10 -7.637 4.542 5.327
322 2HB GLN 10 2HB GLN 10 -6.455 5.634 4.620
323 1HG GLN 10 1HG GLN 10 -8.050 5.832 2.652
324 2HG GLN 10 2HG GLN 10 -9.243 5.047 3.687
325 1HE2 GLN 10 2HE2 GLN 10 -10.228 7.232 3.083
326 2HE2 GLN 10 1HE2 GLN 10 -9.964 8.515 4.210
327 H ALA 11 H ALA 11 -7.017 1.793 5.142
328 HA ALA 11 HA ALA 11 -4.649 1.917 6.674
329 1HB ALA 11 1HB ALA 11 -6.840 0.815 7.303
330 2HB ALA 11 2HB ALA 11 -6.329 -0.546 6.305
331 3HB ALA 11 3HB ALA 11 -5.371 -0.074 7.707
332 H LEU 12 H LEU 12 -5.241 0.677 3.537
333 HA LEU 12 HA LEU 12 -2.937 -1.115 3.645
334 1HB LEU 12 1HB LEU 12 -4.425 -0.648 1.114
335 2HB LEU 12 2HB LEU 12 -3.710 -2.121 1.728
336 HG LEU 12 HG LEU 12 -6.139 -0.991 3.068
337 1HD1 LEU 12 1HD1 LEU 12 -6.391 -1.212 0.503
338 2HD1 LEU 12 2HD1 LEU 12 -6.376 -2.945 0.822
339 3HD1 LEU 12 3HD1 LEU 12 -7.613 -1.925 1.554
340 1HD2 LEU 12 1HD2 LEU 12 -4.905 -3.714 2.752
341 2HD2 LEU 12 2HD2 LEU 12 -5.147 -2.789 4.234
342 3HD2 LEU 12 3HD2 LEU 12 -6.534 -3.467 3.382
343 H LYS 13 H LYS 13 -4.081 1.720 1.848
344 HA LYS 13 HA LYS 13 -1.574 2.044 0.479
345 1HB LYS 13 1HB LYS 13 -2.602 4.146 -0.373
346 2HB LYS 13 2HB LYS 13 -3.556 2.705 -0.688
347 1HG LYS 13 1HG LYS 13 -5.254 3.931 0.092
348 2HG LYS 13 2HG LYS 13 -4.604 3.520 1.680
349 1HD LYS 13 1HD LYS 13 -4.181 5.661 2.090
350 2HD LYS 13 2HD LYS 13 -3.164 5.750 0.652
351 1HE LYS 13 1HE LYS 13 -5.861 5.767 -0.211
352 2HE LYS 13 2HE LYS 13 -5.723 6.921 1.115
353 1HZ LYS 13 1HZ LYS 13 -3.553 7.523 -0.306
354 2HZ LYS 13 2HZ LYS 13 -4.581 7.015 -1.549
355 3HZ LYS 13 3HZ LYS 13 -5.051 8.277 -0.525
356 H ALA 14 H ALA 14 -2.838 3.039 3.504
357 HA ALA 14 HA ALA 14 -1.562 5.486 3.901
358 1HB ALA 14 1HB ALA 14 -2.551 3.333 5.697
359 2HB ALA 14 2HB ALA 14 -1.511 4.582 6.382
360 3HB ALA 14 3HB ALA 14 -3.025 5.029 5.596
361 H ARG 15 H ARG 15 -0.409 2.228 4.772
362 HA ARG 15 HA ARG 15 2.233 3.244 5.364
363 1HB ARG 15 1HB ARG 15 1.239 1.445 6.721
364 2HB ARG 15 2HB ARG 15 1.219 0.405 5.305
365 1HG ARG 15 1HG ARG 15 3.797 1.615 6.172
366 2HG ARG 15 2HG ARG 15 3.146 0.234 7.058
367 1HD ARG 15 1HD ARG 15 2.971 -0.214 4.232
368 2HD ARG 15 2HD ARG 15 4.619 0.213 4.684
369 HE ARG 15 HE ARG 15 4.784 -1.735 5.924
370 1HH1 ARG 15 1HH1 ARG 15 1.540 -1.368 4.684
371 2HH1 ARG 15 2HH1 ARG 15 1.057 -2.966 5.135
372 1HH2 ARG 15 1HH2 ARG 15 4.141 -3.829 6.526
373 2HH2 ARG 15 2HH2 ARG 15 2.532 -4.365 6.177
374 H ASN 16 H ASN 16 0.620 1.506 2.787
375 HA ASN 16 HA ASN 16 2.893 0.611 1.402
376 1HB ASN 16 1HB ASN 16 0.591 -0.161 0.924
377 2HB ASN 16 2HB ASN 16 0.215 1.421 0.255
378 1HD2 ASN 16 2HD2 ASN 16 -0.276 -0.469 -1.415
379 2HD2 ASN 16 1HD2 ASN 16 0.950 -0.654 -2.618
380 H TYR 17 H TYR 17 0.952 3.565 0.980
381 HA TYR 17 HA TYR 17 2.290 4.718 -1.127
382 1HB TYR 17 1HB TYR 17 0.259 5.681 -0.197
383 2HB TYR 17 2HB TYR 17 1.103 6.087 1.294
384 HD1 TYR 17 HD1 TYR 17 0.751 6.920 -2.279
385 HD2 TYR 17 HD2 TYR 17 2.483 8.038 1.442
386 HE1 TYR 17 HE1 TYR 17 1.346 9.112 -3.221
387 HE2 TYR 17 HE2 TYR 17 3.082 10.233 0.511
388 HH TYR 17 HH TYR 17 1.866 11.354 -2.485
389 H ALA 18 H ALA 18 3.282 4.497 2.219
390 HA ALA 18 HA ALA 18 5.394 6.402 2.050
391 1HB ALA 18 1HB ALA 18 4.463 4.411 4.028
392 2HB ALA 18 2HB ALA 18 6.156 4.894 4.128
393 3HB ALA 18 3HB ALA 18 4.883 6.110 4.238
394 H LEU 19 H LEU 19 5.395 2.829 2.108
395 HA LEU 19 HA LEU 19 8.168 2.603 1.562
396 1HB LEU 19 1HB LEU 19 6.342 0.436 0.671
397 2HB LEU 19 2HB LEU 19 7.863 0.333 1.530
398 HG LEU 19 HG LEU 19 5.179 1.033 2.712
399 1HD1 LEU 19 1HD1 LEU 19 6.532 -1.433 2.310
400 2HD1 LEU 19 2HD1 LEU 19 6.484 -1.092 4.039
401 3HD1 LEU 19 3HD1 LEU 19 4.988 -1.132 3.108
402 1HD2 LEU 19 1HD2 LEU 19 7.104 2.340 3.661
403 2HD2 LEU 19 2HD2 LEU 19 6.241 1.321 4.814
404 3HD2 LEU 19 3HD2 LEU 19 7.798 0.801 4.171
405 H LYS 20 H LYS 20 5.297 2.196 -0.488
406 HA LYS 20 HA LYS 20 6.390 1.656 -2.925
407 1HB LYS 20 1HB LYS 20 3.908 2.231 -2.086
408 2HB LYS 20 2HB LYS 20 4.276 3.738 -2.912
409 1HG LYS 20 1HG LYS 20 4.382 2.742 -4.976
410 2HG LYS 20 2HG LYS 20 4.786 1.159 -4.311
411 1HD LYS 20 1HD LYS 20 2.623 0.590 -4.016
412 2HD LYS 20 2HD LYS 20 2.157 2.218 -3.520
413 1HE LYS 20 1HE LYS 20 2.924 1.877 -6.351
414 2HE LYS 20 2HE LYS 20 1.417 1.108 -5.852
415 1HZ LYS 20 1HZ LYS 20 1.142 3.516 -4.752
416 2HZ LYS 20 2HZ LYS 20 2.064 3.925 -6.110
417 3HZ LYS 20 3HZ LYS 20 0.583 3.132 -6.300
418 H GLN 21 H GLN 21 6.441 4.678 -1.201
419 HA GLN 21 HA GLN 21 7.361 6.225 -3.447
420 1HB GLN 21 1HB GLN 21 5.982 7.256 -1.721
421 2HB GLN 21 2HB GLN 21 7.199 6.887 -0.506
422 1HG GLN 21 1HG GLN 21 8.782 8.313 -1.904
423 2HG GLN 21 2HG GLN 21 7.339 8.872 -2.748
424 1HE2 GLN 21 2HE2 GLN 21 6.370 10.594 -1.954
425 2HE2 GLN 21 1HE2 GLN 21 6.541 11.208 -0.347
426 H LYS 22 H LYS 22 8.803 4.909 -0.486
427 HA LYS 22 HA LYS 22 11.423 5.893 -1.258
428 1HB LYS 22 1HB LYS 22 12.150 4.947 0.914
429 2HB LYS 22 2HB LYS 22 10.838 6.108 1.057
430 1HG LYS 22 1HG LYS 22 9.774 4.598 2.280
431 2HG LYS 22 2HG LYS 22 9.557 3.666 0.799
432 1HD LYS 22 1HD LYS 22 10.545 2.117 2.203
433 2HD LYS 22 2HD LYS 22 11.933 2.757 1.322
434 1HE LYS 22 1HE LYS 22 11.023 3.582 4.077
435 2HE LYS 22 2HE LYS 22 12.428 2.587 3.695
436 1HZ LYS 22 1HZ LYS 22 13.324 4.503 2.445
437 2HZ LYS 22 2HZ LYS 22 12.028 5.443 2.989
438 3HZ LYS 22 3HZ LYS 22 13.141 4.816 4.097
439 H VAL 23 H VAL 23 9.724 3.217 -2.183
440 HA VAL 23 HA VAL 23 11.333 1.021 -1.774
441 HB VAL 23 HB VAL 23 10.024 1.651 -4.425
442 1HG1 VAL 23 1HG1 VAL 23 11.086 -0.840 -3.147
443 2HG1 VAL 23 2HG1 VAL 23 9.781 -0.928 -4.330
444 3HG1 VAL 23 3HG1 VAL 23 11.335 -0.229 -4.783
445 1HG2 VAL 23 1HG2 VAL 23 8.901 0.656 -1.838
446 2HG2 VAL 23 2HG2 VAL 23 8.270 1.876 -2.941
447 3HG2 VAL 23 3HG2 VAL 23 8.181 0.171 -3.373
448 H GLN 24 H GLN 24 11.520 3.123 -4.653
449 HA GLN 24 HA GLN 24 13.940 2.067 -5.609
450 1HB GLN 24 1HB GLN 24 14.045 4.267 -6.899
451 2HB GLN 24 2HB GLN 24 12.630 3.258 -7.162
452 1HG GLN 24 1HG GLN 24 11.249 4.670 -5.910
453 2HG GLN 24 2HG GLN 24 12.619 5.491 -5.163
454 1HE2 GLN 24 2HE2 GLN 24 12.180 7.538 -5.779
455 2HE2 GLN 24 1HE2 GLN 24 12.138 8.072 -7.422
456 H ALA 25 H ALA 25 13.232 4.629 -3.331
457 HA ALA 25 HA ALA 25 15.761 5.848 -3.249
458 1HB ALA 25 1HB ALA 25 13.390 6.394 -2.106
459 2HB ALA 25 2HB ALA 25 14.247 5.719 -0.720
460 3HB ALA 25 3HB ALA 25 14.913 7.108 -1.578
461 H LEU 26 H LEU 26 14.532 2.926 -1.796
462 HA LEU 26 HA LEU 26 16.659 2.617 0.092
463 1HB LEU 26 1HB LEU 26 14.630 0.665 -0.992
464 2HB LEU 26 2HB LEU 26 15.783 0.273 0.270
465 HG LEU 26 HG LEU 26 13.665 2.411 0.472
466 1HD1 LEU 26 1HD1 LEU 26 13.787 -0.405 1.520
467 2HD1 LEU 26 2HD1 LEU 26 12.686 0.820 2.151
468 3HD1 LEU 26 3HD1 LEU 26 12.567 0.310 0.467
469 1HD2 LEU 26 1HD2 LEU 26 15.939 1.592 2.171
470 2HD2 LEU 26 2HD2 LEU 26 15.151 3.162 2.004
471 3HD2 LEU 26 3HD2 LEU 26 14.410 1.904 2.993
472 H ARG 27 H ARG 27 15.887 1.085 -3.027
473 HA ARG 27 HA ARG 27 18.334 -0.394 -3.101
474 1HB ARG 27 1HB ARG 27 17.664 -0.879 -5.462
475 2HB ARG 27 2HB ARG 27 16.449 -1.298 -4.264
476 1HG ARG 27 1HG ARG 27 15.820 1.304 -4.981
477 2HG ARG 27 2HG ARG 27 16.298 0.535 -6.496
478 1HD ARG 27 1HD ARG 27 14.745 -1.402 -5.463
479 2HD ARG 27 2HD ARG 27 13.978 0.012 -4.743
480 HE ARG 27 HE ARG 27 13.192 0.605 -6.814
481 1HH1 ARG 27 1HH1 ARG 27 15.646 -1.849 -7.185
482 2HH1 ARG 27 2HH1 ARG 27 15.335 -2.081 -8.872
483 1HH2 ARG 27 1HH2 ARG 27 12.782 0.300 -9.033
484 2HH2 ARG 27 2HH2 ARG 27 13.711 -0.861 -9.922
485 H HIS 28 H HIS 28 17.285 2.730 -4.247
486 HA HIS 28 HA HIS 28 19.685 3.094 -5.853
487 1HB HIS 28 1HB HIS 28 17.386 4.979 -5.294
488 2HB HIS 28 2HB HIS 28 18.698 5.281 -6.428
489 HD1 HIS 28 HD1 HIS 28 16.029 5.372 -7.700
490 HD2 HIS 28 HD2 HIS 28 18.066 1.793 -7.150
491 HE1 HIS 28 HE1 HIS 28 15.066 3.741 -9.376
492 H LYS 29 H LYS 29 19.579 2.913 -2.781
493 HA LYS 29 HA LYS 29 20.214 5.397 -1.670
494 1HB LYS 29 1HB LYS 29 20.078 2.737 -0.792
495 2HB LYS 29 2HB LYS 29 21.718 3.259 -0.432
496 1HG LYS 29 1HG LYS 29 20.848 5.168 0.808
497 2HG LYS 29 2HG LYS 29 19.199 4.664 0.432
498 1HD LYS 29 1HD LYS 29 21.214 3.059 2.004
499 2HD LYS 29 2HD LYS 29 19.866 3.971 2.687
500 1HE LYS 29 1HE LYS 29 18.843 1.956 2.574
501 2HE LYS 29 2HE LYS 29 18.524 2.478 0.920
502 1HZ LYS 29 1HZ LYS 29 20.869 1.336 0.567
503 2HZ LYS 29 2HZ LYS 29 20.357 0.433 1.904
504 3HZ LYS 29 3HZ LYS 29 19.423 0.461 0.494
505 H GLY 30 H GLY 30 22.140 3.142 -3.513
506 1HA GLY 30 1HA GLY 30 23.990 4.549 -4.655
507 2HA GLY 30 2HA GLY 30 24.555 4.739 -3.002
508 1HN NH2 31 1HN NH2 31 25.212 3.151 -5.696
509 2HN NH2 31 2HN NH2 31 25.826 1.663 -5.067
Start of MODEL 11
1 1H ACE 0 1H ACE 0 -16.418 7.102 -5.073
2 2H ACE 0 2H ACE 0 -16.996 7.683 -6.635
3 3H ACE 0 3H ACE 0 -15.813 6.377 -6.564
4 H GLU 1 H GLU 1 -16.755 4.535 -7.187
5 HA GLU 1 HA GLU 1 -19.571 4.060 -6.656
6 1HB GLU 1 1HB GLU 1 -18.341 3.575 -8.878
7 2HB GLU 1 2HB GLU 1 -17.716 2.153 -8.055
8 1HG GLU 1 1HG GLU 1 -20.168 1.617 -7.538
9 2HG GLU 1 2HG GLU 1 -20.543 2.809 -8.782
10 H VAL 2 H VAL 2 -20.365 2.336 -5.479
11 HA VAL 2 HA VAL 2 -19.084 1.653 -3.122
12 HB VAL 2 HB VAL 2 -21.174 -0.039 -4.497
13 1HG1 VAL 2 1HG1 VAL 2 -20.198 0.198 -1.671
14 2HG1 VAL 2 2HG1 VAL 2 -21.817 -0.400 -2.032
15 3HG1 VAL 2 3HG1 VAL 2 -20.404 -1.249 -2.659
16 1HG2 VAL 2 1HG2 VAL 2 -21.424 2.490 -2.892
17 2HG2 VAL 2 2HG2 VAL 2 -22.087 2.127 -4.485
18 3HG2 VAL 2 3HG2 VAL 2 -22.754 1.343 -3.054
19 H ALA 3 H ALA 3 -19.450 -0.353 -6.048
20 HA ALA 3 HA ALA 3 -18.019 -2.573 -5.146
21 1HB ALA 3 1HB ALA 3 -18.332 -1.523 -7.955
22 2HB ALA 3 2HB ALA 3 -17.725 -3.124 -7.536
23 3HB ALA 3 3HB ALA 3 -19.383 -2.678 -7.135
24 H GLN 4 H GLN 4 -16.916 0.409 -6.665
25 HA GLN 4 HA GLN 4 -14.267 -0.320 -7.181
26 1HB GLN 4 1HB GLN 4 -15.747 2.224 -6.845
27 2HB GLN 4 2HB GLN 4 -14.003 2.311 -6.641
28 1HG GLN 4 1HG GLN 4 -15.084 0.904 -9.025
29 2HG GLN 4 2HG GLN 4 -15.133 2.666 -8.983
30 1HE2 GLN 4 2HE2 GLN 4 -13.219 -0.094 -9.482
31 2HE2 GLN 4 1HE2 GLN 4 -11.707 0.704 -9.729
32 H LEU 5 H LEU 5 -15.816 0.833 -4.240
33 HA LEU 5 HA LEU 5 -13.467 1.310 -2.751
34 1HB LEU 5 1HB LEU 5 -16.014 0.370 -1.483
35 2HB LEU 5 2HB LEU 5 -14.846 1.529 -0.879
36 HG LEU 5 HG LEU 5 -16.913 1.951 -3.029
37 1HD1 LEU 5 1HD1 LEU 5 -16.811 2.445 -0.226
38 2HD1 LEU 5 2HD1 LEU 5 -16.853 3.990 -1.075
39 3HD1 LEU 5 3HD1 LEU 5 -18.111 2.788 -1.366
40 1HD2 LEU 5 1HD2 LEU 5 -14.370 3.361 -2.531
41 2HD2 LEU 5 2HD2 LEU 5 -15.329 3.231 -4.005
42 3HD2 LEU 5 3HD2 LEU 5 -15.794 4.378 -2.749
43 H GLU 6 H GLU 6 -15.567 -1.540 -3.013
44 HA GLU 6 HA GLU 6 -14.179 -3.142 -1.162
45 1HB GLU 6 1HB GLU 6 -15.756 -4.060 -3.573
46 2HB GLU 6 2HB GLU 6 -15.366 -5.019 -2.152
47 1HG GLU 6 1HG GLU 6 -16.631 -3.019 -0.944
48 2HG GLU 6 2HG GLU 6 -17.408 -2.913 -2.522
49 H LYS 7 H LYS 7 -13.822 -2.708 -4.652
50 HA LYS 7 HA LYS 7 -11.803 -4.703 -4.943
51 1HB LYS 7 1HB LYS 7 -12.192 -2.384 -6.819
52 2HB LYS 7 2HB LYS 7 -11.636 -4.010 -7.189
53 1HG LYS 7 1HG LYS 7 -14.209 -4.292 -6.102
54 2HG LYS 7 2HG LYS 7 -14.290 -2.945 -7.239
55 1HD LYS 7 1HD LYS 7 -13.221 -5.704 -7.835
56 2HD LYS 7 2HD LYS 7 -14.787 -5.068 -8.344
57 1HE LYS 7 1HE LYS 7 -13.561 -3.256 -9.557
58 2HE LYS 7 2HE LYS 7 -12.058 -4.098 -9.179
59 1HZ LYS 7 1HZ LYS 7 -13.472 -6.073 -10.258
60 2HZ LYS 7 2HZ LYS 7 -14.120 -4.764 -11.112
61 3HZ LYS 7 3HZ LYS 7 -12.454 -5.062 -11.156
62 H GLU 8 H GLU 8 -11.830 -1.289 -4.217
63 HA GLU 8 HA GLU 8 -9.174 -0.646 -4.769
64 1HB GLU 8 1HB GLU 8 -11.066 0.917 -4.123
65 2HB GLU 8 2HB GLU 8 -10.745 0.469 -2.453
66 1HG GLU 8 1HG GLU 8 -8.507 1.349 -2.604
67 2HG GLU 8 2HG GLU 8 -8.727 1.693 -4.318
68 H VAL 9 H VAL 9 -10.552 -2.524 -2.210
69 HA VAL 9 HA VAL 9 -8.332 -2.309 -0.416
70 HB VAL 9 HB VAL 9 -10.587 -4.318 -0.530
71 1HG1 VAL 9 1HG1 VAL 9 -8.505 -3.873 1.607
72 2HG1 VAL 9 2HG1 VAL 9 -9.941 -4.879 1.790
73 3HG1 VAL 9 3HG1 VAL 9 -8.704 -5.314 0.611
74 1HG2 VAL 9 1HG2 VAL 9 -11.262 -1.992 -0.086
75 2HG2 VAL 9 2HG2 VAL 9 -11.539 -3.048 1.299
76 3HG2 VAL 9 3HG2 VAL 9 -10.157 -1.952 1.287
77 H ALA 10 H ALA 10 -9.559 -5.031 -2.378
78 HA ALA 10 HA ALA 10 -7.393 -6.736 -2.022
79 1HB ALA 10 1HB ALA 10 -9.739 -6.999 -3.253
80 2HB ALA 10 2HB ALA 10 -8.722 -6.751 -4.672
81 3HB ALA 10 3HB ALA 10 -8.381 -8.081 -3.565
82 H GLN 11 H GLN 11 -7.693 -3.902 -3.979
83 HA GLN 11 HA GLN 11 -5.619 -4.440 -5.831
84 1HB GLN 11 1HB GLN 11 -7.290 -2.726 -6.265
85 2HB GLN 11 2HB GLN 11 -6.761 -1.815 -4.857
86 1HG GLN 11 1HG GLN 11 -5.898 -0.794 -6.850
87 2HG GLN 11 2HG GLN 11 -4.568 -1.485 -5.922
88 1HE2 GLN 11 2HE2 GLN 11 -6.900 -2.845 -8.225
89 2HE2 GLN 11 1HE2 GLN 11 -5.716 -3.528 -9.283
90 H LEU 12 H LEU 12 -5.660 -2.356 -2.924
91 HA LEU 12 HA LEU 12 -2.843 -1.950 -2.963
92 1HB LEU 12 1HB LEU 12 -4.785 -1.581 -0.682
93 2HB LEU 12 2HB LEU 12 -3.152 -0.948 -0.754
94 HG LEU 12 HG LEU 12 -5.304 -0.172 -2.717
95 1HD1 LEU 12 1HD1 LEU 12 -4.457 1.156 -0.152
96 2HD1 LEU 12 2HD1 LEU 12 -5.420 1.938 -1.404
97 3HD1 LEU 12 3HD1 LEU 12 -6.053 0.530 -0.554
98 1HD2 LEU 12 1HD2 LEU 12 -2.476 0.585 -2.240
99 2HD2 LEU 12 2HD2 LEU 12 -3.376 0.455 -3.751
100 3HD2 LEU 12 3HD2 LEU 12 -3.598 1.863 -2.712
101 H GLU 13 H GLU 13 -4.948 -4.315 -1.485
102 HA GLU 13 HA GLU 13 -3.205 -5.324 0.459
103 1HB GLU 13 1HB GLU 13 -5.539 -6.430 -1.043
104 2HB GLU 13 2HB GLU 13 -4.547 -7.533 -0.099
105 1HG GLU 13 1HG GLU 13 -4.974 -6.268 1.908
106 2HG GLU 13 2HG GLU 13 -5.866 -5.057 0.989
107 H ALA 14 H ALA 14 -3.264 -5.713 -2.988
108 HA ALA 14 HA ALA 14 -1.382 -7.931 -2.934
109 1HB ALA 14 1HB ALA 14 -2.961 -6.559 -5.059
110 2HB ALA 14 2HB ALA 14 -1.530 -7.485 -5.510
111 3HB ALA 14 3HB ALA 14 -2.859 -8.274 -4.662
112 H GLU 15 H GLU 15 -1.479 -4.499 -3.717
113 HA GLU 15 HA GLU 15 1.252 -4.445 -4.642
114 1HB GLU 15 1HB GLU 15 -0.603 -2.908 -5.444
115 2HB GLU 15 2HB GLU 15 -0.463 -2.076 -3.901
116 1HG GLU 15 1HG GLU 15 1.593 -1.192 -4.406
117 2HG GLU 15 2HG GLU 15 1.973 -2.462 -5.568
118 H ASN 16 H ASN 16 -0.474 -3.030 -1.856
119 HA ASN 16 HA ASN 16 1.667 -1.964 -0.494
120 1HB ASN 16 1HB ASN 16 -0.647 -1.618 0.202
121 2HB ASN 16 2HB ASN 16 -0.788 -3.311 0.659
122 1HD2 ASN 16 2HD2 ASN 16 -1.460 -2.238 2.692
123 2HD2 ASN 16 1HD2 ASN 16 -0.233 -1.845 3.842
124 H TYR 17 H TYR 17 0.633 -5.307 -0.680
125 HA TYR 17 HA TYR 17 2.417 -6.224 1.378
126 1HB TYR 17 1HB TYR 17 0.429 -7.502 1.039
127 2HB TYR 17 2HB TYR 17 0.734 -7.644 -0.689
128 HD1 TYR 17 HD1 TYR 17 2.577 -8.422 2.478
129 HD2 TYR 17 HD2 TYR 17 1.370 -9.740 -1.382
130 HE1 TYR 17 HE1 TYR 17 3.710 -10.569 2.865
131 HE2 TYR 17 HE2 TYR 17 2.499 -11.893 -1.006
132 HH TYR 17 HH TYR 17 4.657 -12.410 1.583
133 H GLN 18 H GLN 18 2.400 -6.204 -2.158
134 HA GLN 18 HA GLN 18 4.667 -7.740 -2.627
135 1HB GLN 18 1HB GLN 18 3.097 -5.754 -4.117
136 2HB GLN 18 2HB GLN 18 4.771 -5.888 -4.639
137 1HG GLN 18 1HG GLN 18 4.526 -8.102 -5.286
138 2HG GLN 18 2HG GLN 18 3.082 -8.331 -4.301
139 1HE2 GLN 18 2HE2 GLN 18 1.413 -8.691 -5.567
140 2HE2 GLN 18 1HE2 GLN 18 1.037 -7.845 -7.027
141 H LEU 19 H LEU 19 4.383 -4.355 -1.725
142 HA LEU 19 HA LEU 19 7.213 -3.869 -2.085
143 1HB LEU 19 1HB LEU 19 5.028 -2.158 -0.910
144 2HB LEU 19 2HB LEU 19 6.682 -1.631 -1.146
145 HG LEU 19 HG LEU 19 4.786 -2.450 -3.348
146 1HD1 LEU 19 1HD1 LEU 19 4.877 -0.067 -1.908
147 2HD1 LEU 19 2HD1 LEU 19 5.733 0.272 -3.412
148 3HD1 LEU 19 3HD1 LEU 19 4.083 -0.348 -3.457
149 1HD2 LEU 19 1HD2 LEU 19 7.157 -2.925 -3.829
150 2HD2 LEU 19 2HD2 LEU 19 6.496 -1.660 -4.864
151 3HD2 LEU 19 3HD2 LEU 19 7.540 -1.235 -3.509
152 H GLU 20 H GLU 20 4.940 -4.241 0.609
153 HA GLU 20 HA GLU 20 6.595 -3.644 2.735
154 1HB GLU 20 1HB GLU 20 4.077 -4.420 2.613
155 2HB GLU 20 2HB GLU 20 4.770 -5.999 2.959
156 1HG GLU 20 1HG GLU 20 5.524 -3.674 4.660
157 2HG GLU 20 2HG GLU 20 3.954 -4.443 4.887
158 H GLN 21 H GLN 21 6.648 -6.418 0.653
159 HA GLN 21 HA GLN 21 8.480 -7.854 2.414
160 1HB GLN 21 1HB GLN 21 6.493 -8.779 0.836
161 2HB GLN 21 2HB GLN 21 7.851 -8.934 -0.269
162 1HG GLN 21 1HG GLN 21 8.125 -9.985 2.500
163 2HG GLN 21 2HG GLN 21 7.170 -10.892 1.328
164 1HE2 GLN 21 2HE2 GLN 21 8.918 -12.472 1.836
165 2HE2 GLN 21 1HE2 GLN 21 10.348 -12.416 0.868
166 H GLU 22 H GLU 22 8.464 -5.940 -0.484
167 HA GLU 22 HA GLU 22 11.140 -6.751 -1.256
168 1HB GLU 22 1HB GLU 22 9.266 -4.661 -2.373
169 2HB GLU 22 2HB GLU 22 10.849 -5.029 -3.045
170 1HG GLU 22 1HG GLU 22 9.072 -7.340 -2.691
171 2HG GLU 22 2HG GLU 22 8.536 -6.146 -3.872
172 H VAL 23 H VAL 23 9.609 -4.247 0.575
173 HA VAL 23 HA VAL 23 11.919 -2.496 0.520
174 HB VAL 23 HB VAL 23 9.520 -2.240 2.327
175 1HG1 VAL 23 1HG1 VAL 23 11.867 -0.816 2.211
176 2HG1 VAL 23 2HG1 VAL 23 10.761 0.166 1.253
177 3HG1 VAL 23 3HG1 VAL 23 10.352 -0.255 2.917
178 1HG2 VAL 23 1HG2 VAL 23 9.509 -2.180 -0.503
179 2HG2 VAL 23 2HG2 VAL 23 8.201 -1.763 0.604
180 3HG2 VAL 23 3HG2 VAL 23 9.327 -0.520 0.061
181 H ALA 24 H ALA 24 10.400 -4.811 2.681
182 HA ALA 24 HA ALA 24 11.787 -4.241 5.035
183 1HB ALA 24 1HB ALA 24 10.740 -6.879 4.019
184 2HB ALA 24 2HB ALA 24 11.283 -6.580 5.670
185 3HB ALA 24 3HB ALA 24 9.882 -5.718 5.032
186 H GLN 25 H GLN 25 12.755 -5.992 2.171
187 HA GLN 25 HA GLN 25 15.113 -7.125 3.365
188 1HB GLN 25 1HB GLN 25 14.062 -6.964 0.551
189 2HB GLN 25 2HB GLN 25 15.669 -7.590 0.893
190 1HG GLN 25 1HG GLN 25 14.309 -9.081 2.611
191 2HG GLN 25 2HG GLN 25 13.009 -8.760 1.463
192 1HE2 GLN 25 2HE2 GLN 25 12.784 -10.340 0.066
193 2HE2 GLN 25 1HE2 GLN 25 14.052 -11.278 -0.635
194 H LEU 26 H LEU 26 14.359 -4.360 1.302
195 HA LEU 26 HA LEU 26 17.029 -3.586 0.798
196 1HB LEU 26 1HB LEU 26 14.384 -2.181 0.671
197 2HB LEU 26 2HB LEU 26 15.873 -1.286 0.432
198 HG LEU 26 HG LEU 26 15.041 -3.672 -1.218
199 1HD1 LEU 26 1HD1 LEU 26 13.768 -1.322 -1.299
200 2HD1 LEU 26 2HD1 LEU 26 15.120 -0.953 -2.370
201 3HD1 LEU 26 3HD1 LEU 26 14.054 -2.311 -2.731
202 1HD2 LEU 26 1HD2 LEU 26 17.318 -1.714 -1.410
203 2HD2 LEU 26 2HD2 LEU 26 17.403 -3.469 -1.246
204 3HD2 LEU 26 3HD2 LEU 26 16.818 -2.750 -2.746
205 H GLU 27 H GLU 27 14.675 -1.854 2.845
206 HA GLU 27 HA GLU 27 16.874 -0.757 4.404
207 1HB GLU 27 1HB GLU 27 15.215 0.710 5.390
208 2HB GLU 27 2HB GLU 27 15.040 0.715 3.641
209 1HG GLU 27 1HG GLU 27 12.982 -0.167 3.711
210 2HG GLU 27 2HG GLU 27 13.380 -1.256 5.040
211 H HIS 28 H HIS 28 16.893 -3.364 4.878
212 HA HIS 28 HA HIS 28 15.212 -4.397 6.847
213 1HB HIS 28 1HB HIS 28 17.013 -5.588 5.442
214 2HB HIS 28 2HB HIS 28 18.141 -5.076 6.694
215 HD1 HIS 28 HD1 HIS 28 15.298 -7.447 6.080
216 HD2 HIS 28 HD2 HIS 28 17.924 -6.398 9.124
217 HE1 HIS 28 HE1 HIS 28 15.072 -9.231 7.858
218 H GLU 29 H GLU 29 17.748 -2.067 7.087
219 HA GLU 29 HA GLU 29 18.552 -2.349 9.732
220 1HB GLU 29 1HB GLU 29 18.229 0.172 8.100
221 2HB GLU 29 2HB GLU 29 19.092 0.078 9.627
222 1HG GLU 29 1HG GLU 29 20.068 -1.929 7.832
223 2HG GLU 29 2HG GLU 29 20.097 -0.350 7.048
224 H GLY 30 H GLY 30 15.944 -0.284 8.442
225 1HA GLY 30 1HA GLY 30 13.823 -0.066 9.501
226 2HA GLY 30 2HA GLY 30 14.560 -0.568 11.014
227 1HN NH2 31 1HN NH2 31 12.904 1.785 10.311
228 2HN NH2 31 2HN NH2 31 13.826 3.158 10.811
229 1H ACE 0 1H ACE 0 -17.387 -3.763 4.917
230 2H ACE 0 2H ACE 0 -18.897 -4.673 4.959
231 3H ACE 0 3H ACE 0 -18.728 -3.203 5.917
232 H GLU 1 H GLU 1 -19.906 -1.605 5.073
233 HA GLU 1 HA GLU 1 -20.547 -1.560 2.258
234 1HB GLU 1 1HB GLU 1 -21.305 0.542 4.273
235 2HB GLU 1 2HB GLU 1 -22.134 0.115 2.784
236 1HG GLU 1 1HG GLU 1 -22.852 -1.977 3.725
237 2HG GLU 1 2HG GLU 1 -21.911 -1.681 5.185
238 H VAL 2 H VAL 2 -20.773 1.240 1.897
239 HA VAL 2 HA VAL 2 -18.533 1.943 0.600
240 HB VAL 2 HB VAL 2 -20.215 3.880 2.186
241 1HG1 VAL 2 1HG1 VAL 2 -17.876 4.354 0.748
242 2HG1 VAL 2 2HG1 VAL 2 -19.181 4.843 -0.332
243 3HG1 VAL 2 3HG1 VAL 2 -19.057 5.550 1.278
244 1HG2 VAL 2 1HG2 VAL 2 -20.676 2.370 -0.304
245 2HG2 VAL 2 2HG2 VAL 2 -21.828 3.011 0.868
246 3HG2 VAL 2 3HG2 VAL 2 -21.112 4.079 -0.340
247 H GLN 3 H GLN 3 -18.986 3.818 3.534
248 HA GLN 3 HA GLN 3 -16.280 4.321 3.931
249 1HB GLN 3 1HB GLN 3 -18.765 4.722 5.442
250 2HB GLN 3 2HB GLN 3 -17.332 4.574 6.450
251 1HG GLN 3 1HG GLN 3 -16.374 6.303 4.687
252 2HG GLN 3 2HG GLN 3 -18.086 6.685 4.517
253 1HE2 GLN 3 2HE2 GLN 3 -19.072 6.471 6.984
254 2HE2 GLN 3 1HE2 GLN 3 -18.309 7.587 8.061
255 H ALA 4 H ALA 4 -18.351 1.793 5.263
256 HA ALA 4 HA ALA 4 -16.703 0.752 7.216
257 1HB ALA 4 1HB ALA 4 -19.094 0.021 6.077
258 2HB ALA 4 2HB ALA 4 -18.036 -1.338 5.693
259 3HB ALA 4 3HB ALA 4 -18.257 -0.838 7.370
260 H LEU 5 H LEU 5 -16.393 0.503 3.755
261 HA LEU 5 HA LEU 5 -14.077 -1.296 4.114
262 1HB LEU 5 1HB LEU 5 -16.105 -1.003 1.963
263 2HB LEU 5 2HB LEU 5 -14.476 -1.403 1.472
264 HG LEU 5 HG LEU 5 -15.997 -3.016 3.511
265 1HD1 LEU 5 1HD1 LEU 5 -16.974 -2.783 1.075
266 2HD1 LEU 5 2HD1 LEU 5 -15.692 -3.934 0.701
267 3HD1 LEU 5 3HD1 LEU 5 -16.921 -4.341 1.898
268 1HD2 LEU 5 1HD2 LEU 5 -13.345 -3.014 2.893
269 2HD2 LEU 5 2HD2 LEU 5 -14.228 -4.394 3.543
270 3HD2 LEU 5 3HD2 LEU 5 -13.963 -4.256 1.806
271 H LYS 6 H LYS 6 -15.326 1.413 2.270
272 HA LYS 6 HA LYS 6 -13.173 2.313 0.882
273 1HB LYS 6 1HB LYS 6 -15.308 3.369 0.673
274 2HB LYS 6 2HB LYS 6 -15.320 3.804 2.371
275 1HG LYS 6 1HG LYS 6 -14.635 5.815 1.692
276 2HG LYS 6 2HG LYS 6 -13.058 5.066 1.442
277 1HD LYS 6 1HD LYS 6 -13.234 5.674 -0.696
278 2HD LYS 6 2HD LYS 6 -14.480 4.434 -0.854
279 1HE LYS 6 1HE LYS 6 -16.200 5.952 -0.731
280 2HE LYS 6 2HE LYS 6 -15.248 7.115 0.192
281 1HZ LYS 6 1HZ LYS 6 -14.881 6.497 -2.690
282 2HZ LYS 6 2HZ LYS 6 -15.653 7.871 -2.072
283 3HZ LYS 6 3HZ LYS 6 -14.000 7.635 -1.801
284 H LYS 7 H LYS 7 -13.786 2.620 4.318
285 HA LYS 7 HA LYS 7 -11.618 4.425 4.814
286 1HB LYS 7 1HB LYS 7 -13.297 2.715 6.650
287 2HB LYS 7 2HB LYS 7 -12.078 3.849 7.214
288 1HG LYS 7 1HG LYS 7 -13.306 5.702 6.526
289 2HG LYS 7 2HG LYS 7 -14.311 4.745 5.436
290 1HD LYS 7 1HD LYS 7 -15.566 5.397 7.421
291 2HD LYS 7 2HD LYS 7 -15.351 3.647 7.364
292 1HE LYS 7 1HE LYS 7 -13.137 4.539 8.761
293 2HE LYS 7 2HE LYS 7 -14.444 5.570 9.342
294 1HZ LYS 7 1HZ LYS 7 -14.910 2.681 9.159
295 2HZ LYS 7 2HZ LYS 7 -13.971 3.266 10.439
296 3HZ LYS 7 3HZ LYS 7 -15.560 3.810 10.238
297 H ARG 8 H ARG 8 -12.145 0.947 5.293
298 HA ARG 8 HA ARG 8 -9.733 0.322 6.516
299 1HB ARG 8 1HB ARG 8 -10.190 -1.925 6.032
300 2HB ARG 8 2HB ARG 8 -11.772 -1.170 6.128
301 1HG ARG 8 1HG ARG 8 -12.271 -1.882 4.091
302 2HG ARG 8 2HG ARG 8 -10.865 -1.051 3.425
303 1HD ARG 8 1HD ARG 8 -10.000 -3.046 2.966
304 2HD ARG 8 2HD ARG 8 -9.828 -3.304 4.699
305 HE ARG 8 HE ARG 8 -11.803 -4.474 2.947
306 1HH1 ARG 8 1HH1 ARG 8 -10.935 -3.739 6.249
307 2HH1 ARG 8 2HH1 ARG 8 -11.950 -4.970 6.921
308 1HH2 ARG 8 1HH2 ARG 8 -13.138 -6.093 3.833
309 2HH2 ARG 8 2HH2 ARG 8 -13.200 -6.306 5.550
310 H VAL 9 H VAL 9 -10.366 1.173 3.231
311 HA VAL 9 HA VAL 9 -8.162 -0.031 1.970
312 HB VAL 9 HB VAL 9 -9.536 2.562 1.243
313 1HG1 VAL 9 1HG1 VAL 9 -7.265 2.086 0.203
314 2HG1 VAL 9 2HG1 VAL 9 -8.041 0.728 -0.610
315 3HG1 VAL 9 3HG1 VAL 9 -8.602 2.372 -0.908
316 1HG2 VAL 9 1HG2 VAL 9 -11.067 0.637 1.406
317 2HG2 VAL 9 2HG2 VAL 9 -10.904 1.231 -0.247
318 3HG2 VAL 9 3HG2 VAL 9 -10.062 -0.237 0.250
319 H GLN 10 H GLN 10 -8.526 3.171 3.469
320 HA GLN 10 HA GLN 10 -6.079 4.271 2.819
321 1HB GLN 10 1HB GLN 10 -6.364 5.754 4.681
322 2HB GLN 10 2HB GLN 10 -7.950 5.437 3.994
323 1HG GLN 10 1HG GLN 10 -8.664 4.860 6.002
324 2HG GLN 10 2HG GLN 10 -7.553 3.492 5.979
325 1HE2 GLN 10 2HE2 GLN 10 -8.282 4.714 8.330
326 2HE2 GLN 10 1HE2 GLN 10 -6.920 5.537 8.999
327 H ALA 11 H ALA 11 -6.790 1.749 5.096
328 HA ALA 11 HA ALA 11 -4.357 1.933 6.573
329 1HB ALA 11 1HB ALA 11 -6.644 0.068 6.442
330 2HB ALA 11 2HB ALA 11 -5.120 -0.588 7.043
331 3HB ALA 11 3HB ALA 11 -5.856 0.806 7.836
332 H LEU 12 H LEU 12 -5.034 0.839 3.445
333 HA LEU 12 HA LEU 12 -2.796 -1.052 3.440
334 1HB LEU 12 1HB LEU 12 -4.383 -0.515 0.984
335 2HB LEU 12 2HB LEU 12 -3.677 -2.014 1.550
336 HG LEU 12 HG LEU 12 -6.013 -0.843 3.013
337 1HD1 LEU 12 1HD1 LEU 12 -6.144 -2.473 0.484
338 2HD1 LEU 12 2HD1 LEU 12 -7.505 -2.162 1.562
339 3HD1 LEU 12 3HD1 LEU 12 -6.729 -0.825 0.714
340 1HD2 LEU 12 1HD2 LEU 12 -4.639 -3.459 2.780
341 2HD2 LEU 12 2HD2 LEU 12 -5.332 -2.663 4.193
342 3HD2 LEU 12 3HD2 LEU 12 -6.384 -3.471 3.032
343 H LYS 13 H LYS 13 -3.973 1.785 1.657
344 HA LYS 13 HA LYS 13 -1.517 2.088 0.207
345 1HB LYS 13 1HB LYS 13 -2.557 4.203 -0.602
346 2HB LYS 13 2HB LYS 13 -3.529 2.769 -0.884
347 1HG LYS 13 1HG LYS 13 -5.198 3.981 -0.030
348 2HG LYS 13 2HG LYS 13 -4.471 3.601 1.533
349 1HD LYS 13 1HD LYS 13 -4.095 5.760 1.885
350 2HD LYS 13 2HD LYS 13 -3.074 5.810 0.446
351 1HE LYS 13 1HE LYS 13 -5.441 5.920 -0.756
352 2HE LYS 13 2HE LYS 13 -5.914 6.605 0.798
353 1HZ LYS 13 1HZ LYS 13 -3.504 7.655 -0.490
354 2HZ LYS 13 2HZ LYS 13 -5.003 8.101 -1.136
355 3HZ LYS 13 3HZ LYS 13 -4.642 8.447 0.480
356 H ALA 14 H ALA 14 -2.655 3.134 3.272
357 HA ALA 14 HA ALA 14 -1.354 5.565 3.608
358 1HB ALA 14 1HB ALA 14 -2.229 3.406 5.453
359 2HB ALA 14 2HB ALA 14 -1.152 4.653 6.081
360 3HB ALA 14 3HB ALA 14 -2.709 5.102 5.385
361 H ARG 15 H ARG 15 -0.121 2.324 4.442
362 HA ARG 15 HA ARG 15 2.533 3.365 4.898
363 1HB ARG 15 1HB ARG 15 1.356 1.377 6.095
364 2HB ARG 15 2HB ARG 15 1.865 0.445 4.693
365 1HG ARG 15 1HG ARG 15 3.511 0.128 6.354
366 2HG ARG 15 2HG ARG 15 4.211 1.224 5.160
367 1HD ARG 15 1HD ARG 15 4.200 3.002 6.584
368 2HD ARG 15 2HD ARG 15 2.773 2.437 7.452
369 HE ARG 15 HE ARG 15 4.140 1.311 8.906
370 1HH1 ARG 15 1HH1 ARG 15 5.993 2.258 6.105
371 2HH1 ARG 15 2HH1 ARG 15 7.512 1.797 6.799
372 1HH2 ARG 15 1HH2 ARG 15 6.136 0.704 9.820
373 2HH2 ARG 15 2HH2 ARG 15 7.594 0.915 8.907
374 H ASN 16 H ASN 16 0.876 1.446 2.444
375 HA ASN 16 HA ASN 16 3.063 0.670 0.912
376 1HB ASN 16 1HB ASN 16 0.824 -0.214 0.537
377 2HB ASN 16 2HB ASN 16 0.263 1.364 0.006
378 1HD2 ASN 16 2HD2 ASN 16 -0.302 0.846 -2.038
379 2HD2 ASN 16 1HD2 ASN 16 0.813 0.309 -3.244
380 H TYR 17 H TYR 17 1.065 3.605 0.618
381 HA TYR 17 HA TYR 17 2.314 4.724 -1.593
382 1HB TYR 17 1HB TYR 17 0.256 5.643 -0.662
383 2HB TYR 17 2HB TYR 17 1.110 6.135 0.797
384 HD1 TYR 17 HD1 TYR 17 1.508 6.565 -2.901
385 HD2 TYR 17 HD2 TYR 17 1.596 8.377 0.947
386 HE1 TYR 17 HE1 TYR 17 2.026 8.733 -3.940
387 HE2 TYR 17 HE2 TYR 17 2.115 10.550 -0.081
388 HH TYR 17 HH TYR 17 1.804 11.659 -2.296
389 H ALA 18 H ALA 18 3.340 4.622 1.745
390 HA ALA 18 HA ALA 18 5.386 6.594 1.498
391 1HB ALA 18 1HB ALA 18 4.196 5.410 3.612
392 2HB ALA 18 2HB ALA 18 5.713 4.511 3.558
393 3HB ALA 18 3HB ALA 18 5.734 6.269 3.704
394 H LEU 19 H LEU 19 5.513 3.023 1.693
395 HA LEU 19 HA LEU 19 8.267 2.808 1.210
396 1HB LEU 19 1HB LEU 19 6.489 0.691 0.119
397 2HB LEU 19 2HB LEU 19 7.965 0.543 1.046
398 HG LEU 19 HG LEU 19 5.205 1.128 2.097
399 1HD1 LEU 19 1HD1 LEU 19 7.136 -1.154 2.382
400 2HD1 LEU 19 2HD1 LEU 19 5.768 -0.918 3.470
401 3HD1 LEU 19 3HD1 LEU 19 5.490 -1.184 1.749
402 1HD2 LEU 19 1HD2 LEU 19 7.886 1.397 3.411
403 2HD2 LEU 19 2HD2 LEU 19 6.527 2.521 3.421
404 3HD2 LEU 19 3HD2 LEU 19 6.437 1.023 4.346
405 H LYS 20 H LYS 20 5.536 2.476 -1.042
406 HA LYS 20 HA LYS 20 6.749 2.028 -3.420
407 1HB LYS 20 1HB LYS 20 4.247 2.709 -2.688
408 2HB LYS 20 2HB LYS 20 4.737 4.197 -3.483
409 1HG LYS 20 1HG LYS 20 5.370 2.827 -5.476
410 2HG LYS 20 2HG LYS 20 4.638 1.438 -4.673
411 1HD LYS 20 1HD LYS 20 3.013 3.911 -4.875
412 2HD LYS 20 2HD LYS 20 3.282 2.995 -6.358
413 1HE LYS 20 1HE LYS 20 2.107 1.175 -5.612
414 2HE LYS 20 2HE LYS 20 2.442 1.519 -3.915
415 1HZ LYS 20 1HZ LYS 20 0.956 3.635 -4.615
416 2HZ LYS 20 2HZ LYS 20 0.272 2.435 -5.591
417 3HZ LYS 20 3HZ LYS 20 0.332 2.229 -3.913
418 H GLN 21 H GLN 21 6.828 4.996 -1.592
419 HA GLN 21 HA GLN 21 7.992 6.524 -3.748
420 1HB GLN 21 1HB GLN 21 6.459 7.587 -2.165
421 2HB GLN 21 2HB GLN 21 7.561 7.227 -0.844
422 1HG GLN 21 1HG GLN 21 8.183 9.363 -1.224
423 2HG GLN 21 2HG GLN 21 9.239 8.580 -2.398
424 1HE2 GLN 21 2HE2 GLN 21 8.029 11.287 -2.300
425 2HE2 GLN 21 1HE2 GLN 21 7.202 11.467 -3.806
426 H LYS 22 H LYS 22 9.090 5.067 -0.713
427 HA LYS 22 HA LYS 22 11.790 6.050 -1.140
428 1HB LYS 22 1HB LYS 22 12.283 5.026 1.033
429 2HB LYS 22 2HB LYS 22 10.896 6.104 1.114
430 1HG LYS 22 1HG LYS 22 9.634 4.480 1.923
431 2HG LYS 22 2HG LYS 22 9.985 3.467 0.522
432 1HD LYS 22 1HD LYS 22 10.768 2.168 2.271
433 2HD LYS 22 2HD LYS 22 12.230 3.003 1.744
434 1HE LYS 22 1HE LYS 22 12.029 3.006 4.179
435 2HE LYS 22 2HE LYS 22 11.951 4.641 3.524
436 1HZ LYS 22 1HZ LYS 22 9.472 3.136 4.039
437 2HZ LYS 22 2HZ LYS 22 10.263 3.920 5.312
438 3HZ LYS 22 3HZ LYS 22 9.712 4.810 3.984
439 H VAL 23 H VAL 23 10.014 3.188 -1.832
440 HA VAL 23 HA VAL 23 11.749 1.118 -1.592
441 HB VAL 23 HB VAL 23 10.017 1.668 -4.005
442 1HG1 VAL 23 1HG1 VAL 23 11.274 -0.913 -3.072
443 2HG1 VAL 23 2HG1 VAL 23 10.115 -0.754 -4.393
444 3HG1 VAL 23 3HG1 VAL 23 11.707 -0.007 -4.522
445 1HG2 VAL 23 1HG2 VAL 23 9.423 0.926 -1.291
446 2HG2 VAL 23 2HG2 VAL 23 8.323 1.295 -2.615
447 3HG2 VAL 23 3HG2 VAL 23 8.922 -0.349 -2.401
448 H GLN 24 H GLN 24 11.613 3.181 -4.508
449 HA GLN 24 HA GLN 24 13.950 2.116 -5.670
450 1HB GLN 24 1HB GLN 24 13.896 4.252 -7.043
451 2HB GLN 24 2HB GLN 24 12.459 3.241 -7.115
452 1HG GLN 24 1HG GLN 24 11.220 4.965 -6.515
453 2HG GLN 24 2HG GLN 24 12.095 5.061 -4.988
454 1HE2 GLN 24 2HE2 GLN 24 11.683 7.349 -5.139
455 2HE2 GLN 24 1HE2 GLN 24 12.721 8.344 -6.097
456 H ALA 25 H ALA 25 13.425 4.614 -3.305
457 HA ALA 25 HA ALA 25 15.969 5.864 -3.533
458 1HB ALA 25 1HB ALA 25 13.840 5.872 -1.418
459 2HB ALA 25 2HB ALA 25 15.377 6.707 -1.190
460 3HB ALA 25 3HB ALA 25 14.312 7.166 -2.519
461 H LEU 26 H LEU 26 14.711 3.184 -1.630
462 HA LEU 26 HA LEU 26 16.932 2.922 0.105
463 1HB LEU 26 1HB LEU 26 14.940 0.836 -0.791
464 2HB LEU 26 2HB LEU 26 16.049 0.667 0.556
465 HG LEU 26 HG LEU 26 13.776 2.640 0.364
466 1HD1 LEU 26 1HD1 LEU 26 14.178 0.080 1.876
467 2HD1 LEU 26 2HD1 LEU 26 13.007 1.298 2.382
468 3HD1 LEU 26 3HD1 LEU 26 12.854 0.530 0.802
469 1HD2 LEU 26 1HD2 LEU 26 15.908 2.230 2.444
470 2HD2 LEU 26 2HD2 LEU 26 15.484 3.714 1.591
471 3HD2 LEU 26 3HD2 LEU 26 14.379 3.039 2.788
472 H ARG 27 H ARG 27 15.983 0.904 -2.682
473 HA ARG 27 HA ARG 27 18.298 -0.613 -2.837
474 1HB ARG 27 1HB ARG 27 17.681 -0.894 -5.278
475 2HB ARG 27 2HB ARG 27 16.432 -1.312 -4.113
476 1HG ARG 27 1HG ARG 27 15.845 1.290 -4.583
477 2HG ARG 27 2HG ARG 27 16.495 0.799 -6.147
478 1HD ARG 27 1HD ARG 27 14.873 -1.306 -5.531
479 2HD ARG 27 2HD ARG 27 13.990 0.047 -4.824
480 HE ARG 27 HE ARG 27 13.412 0.668 -6.933
481 1HH1 ARG 27 1HH1 ARG 27 16.340 -1.221 -7.129
482 2HH1 ARG 27 2HH1 ARG 27 16.394 -1.188 -8.860
483 1HH2 ARG 27 1HH2 ARG 27 13.481 0.714 -9.208
484 2HH2 ARG 27 2HH2 ARG 27 14.771 -0.090 -10.041
485 H HIS 28 H HIS 28 17.621 2.576 -4.167
486 HA HIS 28 HA HIS 28 19.921 2.773 -5.794
487 1HB HIS 28 1HB HIS 28 17.871 4.632 -4.747
488 2HB HIS 28 2HB HIS 28 19.416 5.363 -5.173
489 HD1 HIS 28 HD1 HIS 28 16.461 3.614 -6.708
490 HD2 HIS 28 HD2 HIS 28 19.997 5.457 -7.874
491 HE1 HIS 28 HE1 HIS 28 16.322 3.895 -9.218
492 H LYS 29 H LYS 29 19.286 3.672 -2.434
493 HA LYS 29 HA LYS 29 21.727 4.967 -1.933
494 1HB LYS 29 1HB LYS 29 19.421 4.227 -0.454
495 2HB LYS 29 2HB LYS 29 20.817 3.620 0.426
496 1HG LYS 29 1HG LYS 29 21.796 5.944 0.204
497 2HG LYS 29 2HG LYS 29 20.198 6.454 -0.343
498 1HD LYS 29 1HD LYS 29 19.270 6.227 1.718
499 2HD LYS 29 2HD LYS 29 20.305 4.864 2.151
500 1HE LYS 29 1HE LYS 29 21.749 7.384 1.812
501 2HE LYS 29 2HE LYS 29 20.551 7.422 3.105
502 1HZ LYS 29 1HZ LYS 29 22.572 5.268 2.852
503 2HZ LYS 29 2HZ LYS 29 22.839 6.672 3.756
504 3HZ LYS 29 3HZ LYS 29 21.588 5.618 4.184
505 H GLY 30 H GLY 30 20.834 1.589 -1.984
506 1HA GLY 30 1HA GLY 30 23.275 0.705 -0.716
507 2HA GLY 30 2HA GLY 30 22.040 -0.318 -1.434
508 1HN NH2 31 1HN NH2 31 24.327 2.166 -2.555
509 2HN NH2 31 2HN NH2 31 24.914 1.258 -3.902
Start of MODEL 12
1 1H ACE 0 1H ACE 0 -19.116 6.360 -1.853
2 2H ACE 0 2H ACE 0 -19.734 7.306 -3.206
3 3H ACE 0 3H ACE 0 -18.015 6.928 -3.108
4 H GLU 1 H GLU 1 -17.797 5.764 -4.984
5 HA GLU 1 HA GLU 1 -19.606 3.871 -5.976
6 1HB GLU 1 1HB GLU 1 -16.663 4.317 -6.412
7 2HB GLU 1 2HB GLU 1 -17.513 2.995 -7.201
8 1HG GLU 1 1HG GLU 1 -19.058 5.305 -7.624
9 2HG GLU 1 2HG GLU 1 -17.380 5.753 -7.929
10 H VAL 2 H VAL 2 -20.129 1.914 -5.293
11 HA VAL 2 HA VAL 2 -18.988 0.722 -3.015
12 HB VAL 2 HB VAL 2 -20.641 -0.692 -5.106
13 1HG1 VAL 2 1HG1 VAL 2 -19.407 -1.753 -2.949
14 2HG1 VAL 2 2HG1 VAL 2 -20.952 -1.283 -2.240
15 3HG1 VAL 2 3HG1 VAL 2 -20.913 -2.370 -3.628
16 1HG2 VAL 2 1HG2 VAL 2 -21.411 1.255 -2.975
17 2HG2 VAL 2 2HG2 VAL 2 -21.994 1.118 -4.633
18 3HG2 VAL 2 3HG2 VAL 2 -22.516 -0.047 -3.416
19 H ALA 3 H ALA 3 -19.033 -0.635 -6.321
20 HA ALA 3 HA ALA 3 -17.183 -2.643 -5.924
21 1HB ALA 3 1HB ALA 3 -18.648 -2.174 -7.965
22 2HB ALA 3 2HB ALA 3 -17.332 -1.135 -8.514
23 3HB ALA 3 3HB ALA 3 -17.045 -2.855 -8.249
24 H GLN 4 H GLN 4 -16.527 0.625 -7.200
25 HA GLN 4 HA GLN 4 -13.793 0.410 -7.527
26 1HB GLN 4 1HB GLN 4 -15.415 2.810 -6.668
27 2HB GLN 4 2HB GLN 4 -13.738 2.886 -7.194
28 1HG GLN 4 1HG GLN 4 -15.465 1.497 -9.080
29 2HG GLN 4 2HG GLN 4 -15.948 3.167 -8.791
30 1HE2 GLN 4 2HE2 GLN 4 -14.936 2.109 -11.225
31 2HE2 GLN 4 1HE2 GLN 4 -13.453 2.923 -11.572
32 H LEU 5 H LEU 5 -15.629 1.053 -4.595
33 HA LEU 5 HA LEU 5 -13.335 1.637 -2.991
34 1HB LEU 5 1HB LEU 5 -16.224 1.087 -2.418
35 2HB LEU 5 2HB LEU 5 -15.061 1.156 -1.108
36 HG LEU 5 HG LEU 5 -15.513 3.403 -3.070
37 1HD1 LEU 5 1HD1 LEU 5 -16.871 2.688 -0.533
38 2HD1 LEU 5 2HD1 LEU 5 -16.500 4.389 -0.820
39 3HD1 LEU 5 3HD1 LEU 5 -17.499 3.497 -1.969
40 1HD2 LEU 5 1HD2 LEU 5 -13.299 3.332 -1.987
41 2HD2 LEU 5 2HD2 LEU 5 -14.253 4.730 -1.493
42 3HD2 LEU 5 3HD2 LEU 5 -14.093 3.346 -0.412
43 H GLU 6 H GLU 6 -15.135 -1.238 -3.822
44 HA GLU 6 HA GLU 6 -13.928 -2.879 -1.793
45 1HB GLU 6 1HB GLU 6 -15.633 -3.469 -4.205
46 2HB GLU 6 2HB GLU 6 -14.950 -4.750 -3.212
47 1HG GLU 6 1HG GLU 6 -16.076 -3.513 -1.249
48 2HG GLU 6 2HG GLU 6 -17.023 -2.718 -2.505
49 H LYS 7 H LYS 7 -13.350 -2.154 -5.176
50 HA LYS 7 HA LYS 7 -11.339 -4.183 -5.498
51 1HB LYS 7 1HB LYS 7 -11.740 -1.789 -7.284
52 2HB LYS 7 2HB LYS 7 -11.064 -3.356 -7.705
53 1HG LYS 7 1HG LYS 7 -13.810 -3.468 -6.700
54 2HG LYS 7 2HG LYS 7 -13.617 -2.564 -8.203
55 1HD LYS 7 1HD LYS 7 -12.608 -5.367 -7.726
56 2HD LYS 7 2HD LYS 7 -14.104 -4.959 -8.569
57 1HE LYS 7 1HE LYS 7 -12.788 -5.071 -10.397
58 2HE LYS 7 2HE LYS 7 -12.360 -3.426 -9.931
59 1HZ LYS 7 1HZ LYS 7 -10.783 -5.459 -8.633
60 2HZ LYS 7 2HZ LYS 7 -10.602 -5.431 -10.314
61 3HZ LYS 7 3HZ LYS 7 -10.291 -4.037 -9.406
62 H GLU 8 H GLU 8 -11.429 -0.827 -4.566
63 HA GLU 8 HA GLU 8 -8.769 -0.113 -5.019
64 1HB GLU 8 1HB GLU 8 -10.702 1.376 -4.301
65 2HB GLU 8 2HB GLU 8 -10.392 0.826 -2.661
66 1HG GLU 8 1HG GLU 8 -8.174 1.755 -2.720
67 2HG GLU 8 2HG GLU 8 -8.365 2.189 -4.418
68 H VAL 9 H VAL 9 -10.189 -2.154 -2.606
69 HA VAL 9 HA VAL 9 -8.018 -2.050 -0.750
70 HB VAL 9 HB VAL 9 -10.242 -4.069 -1.082
71 1HG1 VAL 9 1HG1 VAL 9 -8.292 -5.084 0.011
72 2HG1 VAL 9 2HG1 VAL 9 -8.291 -3.784 1.202
73 3HG1 VAL 9 3HG1 VAL 9 -9.649 -4.907 1.122
74 1HG2 VAL 9 1HG2 VAL 9 -9.857 -1.772 0.830
75 2HG2 VAL 9 2HG2 VAL 9 -11.059 -1.891 -0.453
76 3HG2 VAL 9 3HG2 VAL 9 -11.148 -2.967 0.942
77 H ALA 10 H ALA 10 -9.142 -4.656 -2.918
78 HA ALA 10 HA ALA 10 -6.984 -6.361 -2.638
79 1HB ALA 10 1HB ALA 10 -9.061 -5.938 -4.698
80 2HB ALA 10 2HB ALA 10 -7.638 -6.855 -5.193
81 3HB ALA 10 3HB ALA 10 -8.608 -7.402 -3.825
82 H GLN 11 H GLN 11 -7.219 -3.381 -4.389
83 HA GLN 11 HA GLN 11 -5.002 -3.755 -6.119
84 1HB GLN 11 1HB GLN 11 -6.673 -2.071 -6.606
85 2HB GLN 11 2HB GLN 11 -6.335 -1.243 -5.094
86 1HG GLN 11 1HG GLN 11 -3.928 -1.506 -6.632
87 2HG GLN 11 2HG GLN 11 -5.199 -0.769 -7.607
88 1HE2 GLN 11 2HE2 GLN 11 -2.709 0.325 -6.421
89 2HE2 GLN 11 1HE2 GLN 11 -3.212 1.699 -5.505
90 H LEU 12 H LEU 12 -5.365 -2.129 -2.971
91 HA LEU 12 HA LEU 12 -2.525 -1.603 -2.818
92 1HB LEU 12 1HB LEU 12 -4.601 -1.273 -0.656
93 2HB LEU 12 2HB LEU 12 -3.003 -0.554 -0.705
94 HG LEU 12 HG LEU 12 -5.110 0.078 -2.760
95 1HD1 LEU 12 1HD1 LEU 12 -4.524 1.500 -0.170
96 2HD1 LEU 12 2HD1 LEU 12 -5.535 2.132 -1.470
97 3HD1 LEU 12 3HD1 LEU 12 -6.020 0.674 -0.603
98 1HD2 LEU 12 1HD2 LEU 12 -2.454 1.232 -1.979
99 2HD2 LEU 12 2HD2 LEU 12 -3.020 0.725 -3.571
100 3HD2 LEU 12 3HD2 LEU 12 -3.659 2.195 -2.835
101 H GLU 13 H GLU 13 -4.811 -3.926 -1.530
102 HA GLU 13 HA GLU 13 -3.239 -4.996 0.523
103 1HB GLU 13 1HB GLU 13 -5.588 -5.871 -1.037
104 2HB GLU 13 2HB GLU 13 -4.645 -7.164 -0.307
105 1HG GLU 13 1HG GLU 13 -4.890 -6.116 1.881
106 2HG GLU 13 2HG GLU 13 -5.826 -4.812 1.154
107 H ALA 14 H ALA 14 -3.014 -5.323 -2.911
108 HA ALA 14 HA ALA 14 -1.290 -7.661 -2.752
109 1HB ALA 14 1HB ALA 14 -2.508 -6.104 -4.997
110 2HB ALA 14 2HB ALA 14 -1.162 -7.202 -5.300
111 3HB ALA 14 3HB ALA 14 -2.663 -7.817 -4.609
112 H GLU 15 H GLU 15 -1.083 -4.206 -3.373
113 HA GLU 15 HA GLU 15 1.746 -4.347 -3.998
114 1HB GLU 15 1HB GLU 15 0.146 -2.725 -5.090
115 2HB GLU 15 2HB GLU 15 0.068 -1.876 -3.552
116 1HG GLU 15 1HG GLU 15 1.735 -0.654 -4.391
117 2HG GLU 15 2HG GLU 15 2.748 -2.021 -3.931
118 H ASN 16 H ASN 16 -0.242 -2.750 -1.499
119 HA ASN 16 HA ASN 16 1.763 -1.783 0.119
120 1HB ASN 16 1HB ASN 16 -0.634 -1.317 0.449
121 2HB ASN 16 2HB ASN 16 -0.877 -2.966 1.013
122 1HD2 ASN 16 2HD2 ASN 16 -1.678 -2.116 2.967
123 2HD2 ASN 16 1HD2 ASN 16 -0.609 -1.509 4.181
124 H TYR 17 H TYR 17 0.666 -5.068 -0.246
125 HA TYR 17 HA TYR 17 2.120 -6.002 2.083
126 1HB TYR 17 1HB TYR 17 0.022 -7.091 1.594
127 2HB TYR 17 2HB TYR 17 0.541 -7.454 -0.047
128 HD1 TYR 17 HD1 TYR 17 1.317 -8.185 3.516
129 HD2 TYR 17 HD2 TYR 17 1.613 -9.478 -0.526
130 HE1 TYR 17 HE1 TYR 17 2.183 -10.357 4.281
131 HE2 TYR 17 HE2 TYR 17 2.478 -11.653 0.226
132 HH TYR 17 HH TYR 17 3.620 -12.604 2.183
133 H GLN 18 H GLN 18 2.335 -6.277 -1.443
134 HA GLN 18 HA GLN 18 4.603 -7.939 -1.513
135 1HB GLN 18 1HB GLN 18 3.154 -6.218 -3.439
136 2HB GLN 18 2HB GLN 18 4.818 -6.616 -3.848
137 1HG GLN 18 1HG GLN 18 3.956 -9.055 -3.205
138 2HG GLN 18 2HG GLN 18 2.426 -8.344 -3.719
139 1HE2 GLN 18 2HE2 GLN 18 4.929 -10.121 -4.755
140 2HE2 GLN 18 1HE2 GLN 18 4.921 -9.722 -6.437
141 H LEU 19 H LEU 19 4.279 -4.595 -0.791
142 HA LEU 19 HA LEU 19 7.079 -4.035 -1.379
143 1HB LEU 19 1HB LEU 19 4.928 -2.235 -0.271
144 2HB LEU 19 2HB LEU 19 6.536 -1.731 -0.752
145 HG LEU 19 HG LEU 19 4.589 -2.972 -2.685
146 1HD1 LEU 19 1HD1 LEU 19 4.807 -0.178 -1.699
147 2HD1 LEU 19 2HD1 LEU 19 4.488 -0.442 -3.413
148 3HD1 LEU 19 3HD1 LEU 19 3.387 -1.095 -2.200
149 1HD2 LEU 19 1HD2 LEU 19 7.238 -2.636 -2.951
150 2HD2 LEU 19 2HD2 LEU 19 6.106 -2.525 -4.299
151 3HD2 LEU 19 3HD2 LEU 19 6.680 -1.058 -3.505
152 H GLU 20 H GLU 20 4.878 -3.742 1.414
153 HA GLU 20 HA GLU 20 6.651 -3.074 3.379
154 1HB GLU 20 1HB GLU 20 4.127 -3.453 3.538
155 2HB GLU 20 2HB GLU 20 4.512 -5.142 3.838
156 1HG GLU 20 1HG GLU 20 5.791 -4.520 5.808
157 2HG GLU 20 2HG GLU 20 5.460 -2.816 5.497
158 H GLN 21 H GLN 21 6.323 -6.163 1.802
159 HA GLN 21 HA GLN 21 8.032 -7.500 3.732
160 1HB GLN 21 1HB GLN 21 6.042 -8.348 1.966
161 2HB GLN 21 2HB GLN 21 7.534 -8.992 1.296
162 1HG GLN 21 1HG GLN 21 7.998 -10.230 3.232
163 2HG GLN 21 2HG GLN 21 6.810 -9.341 4.185
164 1HE2 GLN 21 2HE2 GLN 21 7.230 -11.686 1.612
165 2HE2 GLN 21 1HE2 GLN 21 5.674 -12.422 1.772
166 H GLU 22 H GLU 22 8.239 -6.046 0.569
167 HA GLU 22 HA GLU 22 10.845 -7.162 0.005
168 1HB GLU 22 1HB GLU 22 8.797 -5.925 -1.502
169 2HB GLU 22 2HB GLU 22 10.217 -4.900 -1.651
170 1HG GLU 22 1HG GLU 22 11.511 -6.669 -2.545
171 2HG GLU 22 2HG GLU 22 10.281 -7.863 -2.135
172 H VAL 23 H VAL 23 9.506 -4.138 1.181
173 HA VAL 23 HA VAL 23 11.791 -2.533 0.993
174 HB VAL 23 HB VAL 23 9.777 -2.328 3.226
175 1HG1 VAL 23 1HG1 VAL 23 11.993 -0.859 2.775
176 2HG1 VAL 23 2HG1 VAL 23 10.811 0.051 1.834
177 3HG1 VAL 23 3HG1 VAL 23 10.540 -0.233 3.553
178 1HG2 VAL 23 1HG2 VAL 23 9.284 -2.214 0.399
179 2HG2 VAL 23 2HG2 VAL 23 8.148 -2.046 1.738
180 3HG2 VAL 23 3HG2 VAL 23 9.003 -0.631 1.125
181 H ALA 24 H ALA 24 10.876 -4.985 3.299
182 HA ALA 24 HA ALA 24 12.662 -4.309 5.373
183 1HB ALA 24 1HB ALA 24 10.680 -6.112 5.128
184 2HB ALA 24 2HB ALA 24 12.081 -7.170 4.959
185 3HB ALA 24 3HB ALA 24 11.899 -6.170 6.400
186 H GLN 25 H GLN 25 13.064 -6.045 2.373
187 HA GLN 25 HA GLN 25 15.704 -7.008 3.096
188 1HB GLN 25 1HB GLN 25 13.829 -7.407 0.827
189 2HB GLN 25 2HB GLN 25 15.543 -7.580 0.480
190 1HG GLN 25 1HG GLN 25 15.650 -9.195 2.412
191 2HG GLN 25 2HG GLN 25 13.887 -9.151 2.429
192 1HE2 GLN 25 2HE2 GLN 25 16.402 -9.360 -0.073
193 2HE2 GLN 25 1HE2 GLN 25 15.718 -10.721 -0.886
194 H LEU 26 H LEU 26 14.234 -4.492 1.142
195 HA LEU 26 HA LEU 26 16.461 -3.678 -0.332
196 1HB LEU 26 1HB LEU 26 14.164 -2.040 0.742
197 2HB LEU 26 2HB LEU 26 15.317 -1.467 -0.448
198 HG LEU 26 HG LEU 26 13.437 -3.798 -0.834
199 1HD1 LEU 26 1HD1 LEU 26 13.220 -0.905 -1.383
200 2HD1 LEU 26 2HD1 LEU 26 12.680 -1.995 -2.660
201 3HD1 LEU 26 3HD1 LEU 26 11.964 -2.097 -1.052
202 1HD2 LEU 26 1HD2 LEU 26 15.688 -2.694 -2.402
203 2HD2 LEU 26 2HD2 LEU 26 15.069 -4.343 -2.307
204 3HD2 LEU 26 3HD2 LEU 26 14.236 -3.145 -3.297
205 H GLU 27 H GLU 27 15.187 -2.016 2.559
206 HA GLU 27 HA GLU 27 17.818 -0.863 3.031
207 1HB GLU 27 1HB GLU 27 16.668 0.449 4.787
208 2HB GLU 27 2HB GLU 27 15.918 0.630 3.207
209 1HG GLU 27 1HG GLU 27 13.972 -0.107 3.959
210 2HG GLU 27 2HG GLU 27 14.714 -1.538 4.671
211 H HIS 28 H HIS 28 18.094 -3.478 3.369
212 HA HIS 28 HA HIS 28 17.473 -4.579 5.860
213 1HB HIS 28 1HB HIS 28 19.138 -6.246 5.387
214 2HB HIS 28 2HB HIS 28 18.340 -5.834 3.872
215 HD1 HIS 28 HD1 HIS 28 19.802 -3.874 2.458
216 HD2 HIS 28 HD2 HIS 28 21.799 -6.295 5.182
217 HE1 HIS 28 HE1 HIS 28 22.255 -3.750 1.854
218 H GLU 29 H GLU 29 20.328 -2.756 4.810
219 HA GLU 29 HA GLU 29 21.649 -2.932 7.332
220 1HB GLU 29 1HB GLU 29 22.658 -2.458 4.999
221 2HB GLU 29 2HB GLU 29 22.174 -0.792 5.286
222 1HG GLU 29 1HG GLU 29 23.654 -2.004 7.496
223 2HG GLU 29 2HG GLU 29 24.563 -1.883 5.990
224 H GLY 30 H GLY 30 19.768 -0.388 5.713
225 1HA GLY 30 1HA GLY 30 18.518 1.323 6.625
226 2HA GLY 30 2HA GLY 30 18.798 0.615 8.209
227 1HN NH2 31 1HN NH2 31 20.827 1.093 9.267
228 2HN NH2 31 2HN NH2 31 21.621 2.595 8.950
229 1H ACE 0 1H ACE 0 -18.228 -5.613 4.869
230 2H ACE 0 2H ACE 0 -16.742 -5.182 4.022
231 3H ACE 0 3H ACE 0 -17.705 -6.553 3.472
232 H GLU 1 H GLU 1 -19.195 -3.593 4.556
233 HA GLU 1 HA GLU 1 -20.346 -3.216 1.914
234 1HB GLU 1 1HB GLU 1 -20.972 -1.463 4.261
235 2HB GLU 1 2HB GLU 1 -22.010 -1.939 2.924
236 1HG GLU 1 1HG GLU 1 -22.913 -3.441 4.274
237 2HG GLU 1 2HG GLU 1 -21.389 -4.323 4.207
238 H VAL 2 H VAL 2 -20.854 -0.511 1.901
239 HA VAL 2 HA VAL 2 -18.704 0.576 0.625
240 HB VAL 2 HB VAL 2 -20.795 2.066 2.210
241 1HG1 VAL 2 1HG1 VAL 2 -18.800 3.032 0.172
242 2HG1 VAL 2 2HG1 VAL 2 -20.244 3.938 0.618
243 3HG1 VAL 2 3HG1 VAL 2 -19.013 3.592 1.831
244 1HG2 VAL 2 1HG2 VAL 2 -20.657 1.053 -0.609
245 2HG2 VAL 2 2HG2 VAL 2 -21.927 0.822 0.593
246 3HG2 VAL 2 3HG2 VAL 2 -21.706 2.399 -0.164
247 H GLN 3 H GLN 3 -19.516 2.323 3.542
248 HA GLN 3 HA GLN 3 -17.011 3.239 4.138
249 1HB GLN 3 1HB GLN 3 -19.454 3.566 5.247
250 2HB GLN 3 2HB GLN 3 -18.687 2.576 6.482
251 1HG GLN 3 1HG GLN 3 -17.145 4.188 7.015
252 2HG GLN 3 2HG GLN 3 -17.242 4.958 5.432
253 1HE2 GLN 3 2HE2 GLN 3 -17.354 6.318 7.893
254 2HE2 GLN 3 1HE2 GLN 3 -18.913 7.048 8.034
255 H ALA 4 H ALA 4 -18.495 0.199 5.073
256 HA ALA 4 HA ALA 4 -16.647 -0.676 6.967
257 1HB ALA 4 1HB ALA 4 -18.757 -1.849 5.397
258 2HB ALA 4 2HB ALA 4 -17.399 -2.962 5.549
259 3HB ALA 4 3HB ALA 4 -18.163 -2.300 6.995
260 H LEU 5 H LEU 5 -16.508 -0.724 3.464
261 HA LEU 5 HA LEU 5 -13.805 -1.881 3.601
262 1HB LEU 5 1HB LEU 5 -16.013 -2.088 1.644
263 2HB LEU 5 2HB LEU 5 -14.391 -2.057 0.995
264 HG LEU 5 HG LEU 5 -15.068 -3.979 3.188
265 1HD1 LEU 5 1HD1 LEU 5 -16.626 -3.931 0.969
266 2HD1 LEU 5 2HD1 LEU 5 -15.326 -5.006 0.452
267 3HD1 LEU 5 3HD1 LEU 5 -16.257 -5.382 1.902
268 1HD2 LEU 5 1HD2 LEU 5 -12.727 -3.493 2.190
269 2HD2 LEU 5 2HD2 LEU 5 -13.228 -5.167 2.431
270 3HD2 LEU 5 3HD2 LEU 5 -13.298 -4.447 0.821
271 H LYS 6 H LYS 6 -15.470 0.965 3.142
272 HA LYS 6 HA LYS 6 -13.754 2.161 1.170
273 1HB LYS 6 1HB LYS 6 -15.704 3.271 0.971
274 2HB LYS 6 2HB LYS 6 -16.229 2.773 2.561
275 1HG LYS 6 1HG LYS 6 -16.206 5.107 2.632
276 2HG LYS 6 2HG LYS 6 -14.731 4.625 3.470
277 1HD LYS 6 1HD LYS 6 -13.386 5.491 1.869
278 2HD LYS 6 2HD LYS 6 -14.481 5.043 0.561
279 1HE LYS 6 1HE LYS 6 -15.269 7.116 0.475
280 2HE LYS 6 2HE LYS 6 -15.741 7.032 2.172
281 1HZ LYS 6 1HZ LYS 6 -13.170 7.468 2.475
282 2HZ LYS 6 2HZ LYS 6 -13.355 8.201 0.961
283 3HZ LYS 6 3HZ LYS 6 -14.273 8.736 2.277
284 H LYS 7 H LYS 7 -14.037 2.111 4.666
285 HA LYS 7 HA LYS 7 -11.965 4.124 4.983
286 1HB LYS 7 1HB LYS 7 -12.384 3.908 7.371
287 2HB LYS 7 2HB LYS 7 -13.897 4.121 6.502
288 1HG LYS 7 1HG LYS 7 -13.758 1.430 6.573
289 2HG LYS 7 2HG LYS 7 -12.917 1.837 8.070
290 1HD LYS 7 1HD LYS 7 -15.636 2.892 7.297
291 2HD LYS 7 2HD LYS 7 -15.365 1.508 8.358
292 1HE LYS 7 1HE LYS 7 -13.885 3.149 9.709
293 2HE LYS 7 2HE LYS 7 -14.758 4.401 8.828
294 1HZ LYS 7 1HZ LYS 7 -16.391 2.336 10.056
295 2HZ LYS 7 2HZ LYS 7 -15.596 3.375 11.128
296 3HZ LYS 7 3HZ LYS 7 -16.646 4.007 9.963
297 H ARG 8 H ARG 8 -12.220 0.708 4.798
298 HA ARG 8 HA ARG 8 -9.899 0.095 6.350
299 1HB ARG 8 1HB ARG 8 -10.265 -2.129 5.787
300 2HB ARG 8 2HB ARG 8 -11.882 -1.447 5.741
301 1HG ARG 8 1HG ARG 8 -12.077 -2.367 3.727
302 2HG ARG 8 2HG ARG 8 -10.966 -1.123 3.153
303 1HD ARG 8 1HD ARG 8 -9.592 -2.771 2.558
304 2HD ARG 8 2HD ARG 8 -9.316 -3.056 4.274
305 HE ARG 8 HE ARG 8 -11.030 -4.597 2.492
306 1HH1 ARG 8 1HH1 ARG 8 -9.888 -4.035 5.750
307 2HH1 ARG 8 2HH1 ARG 8 -10.401 -5.585 6.324
308 1HH2 ARG 8 1HH2 ARG 8 -11.703 -6.630 3.257
309 2HH2 ARG 8 2HH2 ARG 8 -11.428 -7.056 4.913
310 H VAL 9 H VAL 9 -10.479 1.024 3.058
311 HA VAL 9 HA VAL 9 -8.134 0.024 1.872
312 HB VAL 9 HB VAL 9 -9.669 2.512 1.110
313 1HG1 VAL 9 1HG1 VAL 9 -7.277 2.009 0.171
314 2HG1 VAL 9 2HG1 VAL 9 -8.136 0.825 -0.814
315 3HG1 VAL 9 3HG1 VAL 9 -8.568 2.531 -0.910
316 1HG2 VAL 9 1HG2 VAL 9 -10.716 0.034 1.238
317 2HG2 VAL 9 2HG2 VAL 9 -11.205 1.242 0.050
318 3HG2 VAL 9 3HG2 VAL 9 -10.032 -0.001 -0.387
319 H GLN 10 H GLN 10 -8.825 3.166 3.387
320 HA GLN 10 HA GLN 10 -6.448 4.463 2.849
321 1HB GLN 10 1HB GLN 10 -6.949 5.934 4.643
322 2HB GLN 10 2HB GLN 10 -8.493 5.418 3.982
323 1HG GLN 10 1HG GLN 10 -8.149 3.566 5.910
324 2HG GLN 10 2HG GLN 10 -7.306 4.938 6.626
325 1HE2 GLN 10 2HE2 GLN 10 -9.390 4.149 7.985
326 2HE2 GLN 10 1HE2 GLN 10 -10.752 5.187 7.768
327 H ALA 11 H ALA 11 -7.041 1.843 5.033
328 HA ALA 11 HA ALA 11 -4.679 2.200 6.610
329 1HB ALA 11 1HB ALA 11 -6.799 0.981 7.295
330 2HB ALA 11 2HB ALA 11 -6.211 -0.365 6.320
331 3HB ALA 11 3HB ALA 11 -5.268 0.204 7.697
332 H LEU 12 H LEU 12 -5.207 1.040 3.468
333 HA LEU 12 HA LEU 12 -2.854 -0.699 3.540
334 1HB LEU 12 1HB LEU 12 -4.385 -0.270 1.030
335 2HB LEU 12 2HB LEU 12 -3.607 -1.719 1.627
336 HG LEU 12 HG LEU 12 -6.068 -0.690 2.992
337 1HD1 LEU 12 1HD1 LEU 12 -6.596 -0.775 0.597
338 2HD1 LEU 12 2HD1 LEU 12 -6.045 -2.448 0.546
339 3HD1 LEU 12 3HD1 LEU 12 -7.454 -2.013 1.513
340 1HD2 LEU 12 1HD2 LEU 12 -4.849 -3.419 2.599
341 2HD2 LEU 12 2HD2 LEU 12 -4.862 -2.469 4.085
342 3HD2 LEU 12 3HD2 LEU 12 -6.372 -3.103 3.430
343 H LYS 13 H LYS 13 -4.136 2.053 1.693
344 HA LYS 13 HA LYS 13 -1.655 2.481 0.324
345 1HB LYS 13 1HB LYS 13 -2.795 4.611 -0.444
346 2HB LYS 13 2HB LYS 13 -3.585 3.105 -0.884
347 1HG LYS 13 1HG LYS 13 -5.245 4.679 -0.199
348 2HG LYS 13 2HG LYS 13 -5.135 3.418 1.026
349 1HD LYS 13 1HD LYS 13 -4.330 4.833 2.599
350 2HD LYS 13 2HD LYS 13 -3.400 5.767 1.427
351 1HE LYS 13 1HE LYS 13 -6.184 6.124 0.903
352 2HE LYS 13 2HE LYS 13 -5.882 6.417 2.615
353 1HZ LYS 13 1HZ LYS 13 -3.991 7.624 0.769
354 2HZ LYS 13 2HZ LYS 13 -5.557 8.261 0.731
355 3HZ LYS 13 3HZ LYS 13 -4.683 8.254 2.179
356 H ALA 14 H ALA 14 -2.933 3.467 3.351
357 HA ALA 14 HA ALA 14 -1.747 5.949 3.740
358 1HB ALA 14 1HB ALA 14 -2.621 3.754 5.534
359 2HB ALA 14 2HB ALA 14 -1.590 5.012 6.215
360 3HB ALA 14 3HB ALA 14 -3.131 5.442 5.474
361 H ARG 15 H ARG 15 -0.425 2.769 4.675
362 HA ARG 15 HA ARG 15 2.173 3.917 5.188
363 1HB ARG 15 1HB ARG 15 1.157 2.006 6.496
364 2HB ARG 15 2HB ARG 15 1.441 0.990 5.089
365 1HG ARG 15 1HG ARG 15 3.186 0.772 6.812
366 2HG ARG 15 2HG ARG 15 3.816 1.327 5.260
367 1HD ARG 15 1HD ARG 15 4.698 2.512 7.315
368 2HD ARG 15 2HD ARG 15 4.054 3.542 6.035
369 HE ARG 15 HE ARG 15 2.135 2.862 8.068
370 1HH1 ARG 15 1HH1 ARG 15 4.641 5.100 7.121
371 2HH1 ARG 15 2HH1 ARG 15 4.040 6.386 8.112
372 1HH2 ARG 15 1HH2 ARG 15 1.344 4.553 9.372
373 2HH2 ARG 15 2HH2 ARG 15 2.169 6.077 9.390
374 H ASN 16 H ASN 16 0.700 1.817 2.755
375 HA ASN 16 HA ASN 16 2.953 1.092 1.319
376 1HB ASN 16 1HB ASN 16 0.807 0.100 0.848
377 2HB ASN 16 2HB ASN 16 0.147 1.651 0.345
378 1HD2 ASN 16 2HD2 ASN 16 -0.379 0.187 -1.528
379 2HD2 ASN 16 1HD2 ASN 16 0.779 0.115 -2.808
380 H TYR 17 H TYR 17 0.988 4.029 1.031
381 HA TYR 17 HA TYR 17 2.143 5.139 -1.226
382 1HB TYR 17 1HB TYR 17 0.182 6.122 -0.185
383 2HB TYR 17 2HB TYR 17 1.114 6.539 1.250
384 HD1 TYR 17 HD1 TYR 17 2.695 8.397 1.210
385 HD2 TYR 17 HD2 TYR 17 0.362 7.431 -2.213
386 HE1 TYR 17 HE1 TYR 17 3.249 10.581 0.225
387 HE2 TYR 17 HE2 TYR 17 0.909 9.611 -3.209
388 HH TYR 17 HH TYR 17 2.323 12.137 -1.441
389 H ALA 18 H ALA 18 3.310 5.117 2.093
390 HA ALA 18 HA ALA 18 5.459 6.942 1.622
391 1HB ALA 18 1HB ALA 18 4.286 6.157 3.862
392 2HB ALA 18 2HB ALA 18 5.600 4.981 3.851
393 3HB ALA 18 3HB ALA 18 5.961 6.708 3.837
394 H LEU 19 H LEU 19 5.241 3.398 1.888
395 HA LEU 19 HA LEU 19 8.001 2.944 1.455
396 1HB LEU 19 1HB LEU 19 6.037 0.901 0.562
397 2HB LEU 19 2HB LEU 19 7.526 0.702 1.459
398 HG LEU 19 HG LEU 19 4.847 1.571 2.527
399 1HD1 LEU 19 1HD1 LEU 19 6.502 -0.875 2.633
400 2HD1 LEU 19 2HD1 LEU 19 5.666 -0.411 4.115
401 3HD1 LEU 19 3HD1 LEU 19 4.749 -0.686 2.635
402 1HD2 LEU 19 1HD2 LEU 19 7.583 1.826 3.706
403 2HD2 LEU 19 2HD2 LEU 19 6.237 2.965 3.741
404 3HD2 LEU 19 3HD2 LEU 19 6.194 1.519 4.749
405 H LYS 20 H LYS 20 5.210 2.613 -0.739
406 HA LYS 20 HA LYS 20 6.410 1.935 -3.077
407 1HB LYS 20 1HB LYS 20 3.926 2.773 -2.400
408 2HB LYS 20 2HB LYS 20 4.474 4.150 -3.347
409 1HG LYS 20 1HG LYS 20 5.163 2.332 -5.080
410 2HG LYS 20 2HG LYS 20 4.009 1.331 -4.197
411 1HD LYS 20 1HD LYS 20 2.545 3.567 -4.503
412 2HD LYS 20 2HD LYS 20 3.552 3.664 -5.949
413 1HE LYS 20 1HE LYS 20 2.865 1.107 -6.130
414 2HE LYS 20 2HE LYS 20 1.480 1.673 -5.198
415 1HZ LYS 20 1HZ LYS 20 1.598 3.539 -7.088
416 2HZ LYS 20 2HZ LYS 20 2.208 2.219 -7.955
417 3HZ LYS 20 3HZ LYS 20 0.680 2.127 -7.236
418 H GLN 21 H GLN 21 6.602 5.021 -1.469
419 HA GLN 21 HA GLN 21 7.772 6.377 -3.722
420 1HB GLN 21 1HB GLN 21 6.414 7.658 -2.204
421 2HB GLN 21 2HB GLN 21 7.409 7.181 -0.837
422 1HG GLN 21 1HG GLN 21 8.856 8.524 -3.005
423 2HG GLN 21 2HG GLN 21 7.647 9.513 -2.188
424 1HE2 GLN 21 2HE2 GLN 21 10.253 10.215 -2.027
425 2HE2 GLN 21 1HE2 GLN 21 10.855 9.932 -0.433
426 H LYS 22 H LYS 22 8.938 5.031 -0.653
427 HA LYS 22 HA LYS 22 11.675 5.777 -1.298
428 1HB LYS 22 1HB LYS 22 12.214 4.829 0.916
429 2HB LYS 22 2HB LYS 22 10.961 6.060 0.994
430 1HG LYS 22 1HG LYS 22 9.579 4.649 1.987
431 2HG LYS 22 2HG LYS 22 9.738 3.502 0.655
432 1HD LYS 22 1HD LYS 22 10.376 2.473 2.773
433 2HD LYS 22 2HD LYS 22 11.762 2.586 1.685
434 1HE LYS 22 1HE LYS 22 12.838 3.519 3.406
435 2HE LYS 22 2HE LYS 22 11.874 4.957 3.072
436 1HZ LYS 22 1HZ LYS 22 10.188 3.571 4.590
437 2HZ LYS 22 2HZ LYS 22 11.656 3.039 5.241
438 3HZ LYS 22 3HZ LYS 22 11.291 4.691 5.214
439 H VAL 23 H VAL 23 9.634 3.034 -1.634
440 HA VAL 23 HA VAL 23 11.236 0.851 -1.378
441 HB VAL 23 HB VAL 23 9.218 1.406 -3.553
442 1HG1 VAL 23 1HG1 VAL 23 10.957 -0.938 -3.092
443 2HG1 VAL 23 2HG1 VAL 23 9.255 -1.275 -3.413
444 3HG1 VAL 23 3HG1 VAL 23 10.206 -0.355 -4.578
445 1HG2 VAL 23 1HG2 VAL 23 8.950 0.906 -0.808
446 2HG2 VAL 23 2HG2 VAL 23 7.677 0.909 -2.029
447 3HG2 VAL 23 3HG2 VAL 23 8.500 -0.595 -1.617
448 H GLN 24 H GLN 24 10.892 2.644 -4.455
449 HA GLN 24 HA GLN 24 13.019 1.326 -5.741
450 1HB GLN 24 1HB GLN 24 12.197 4.132 -6.420
451 2HB GLN 24 2HB GLN 24 12.758 2.859 -7.495
452 1HG GLN 24 1HG GLN 24 10.566 1.658 -6.685
453 2HG GLN 24 2HG GLN 24 10.061 3.310 -6.331
454 1HE2 GLN 24 2HE2 GLN 24 8.674 1.882 -8.154
455 2HE2 GLN 24 1HE2 GLN 24 8.966 2.486 -9.746
456 H ALA 25 H ALA 25 12.882 4.189 -3.727
457 HA ALA 25 HA ALA 25 15.429 5.229 -4.276
458 1HB ALA 25 1HB ALA 25 13.334 6.019 -2.744
459 2HB ALA 25 2HB ALA 25 14.495 5.533 -1.510
460 3HB ALA 25 3HB ALA 25 14.935 6.755 -2.702
461 H LEU 26 H LEU 26 14.351 2.829 -1.905
462 HA LEU 26 HA LEU 26 16.781 2.547 -0.533
463 1HB LEU 26 1HB LEU 26 14.601 0.510 -1.001
464 2HB LEU 26 2HB LEU 26 15.899 0.336 0.162
465 HG LEU 26 HG LEU 26 13.643 2.331 0.230
466 1HD1 LEU 26 1HD1 LEU 26 14.414 -0.074 1.829
467 2HD1 LEU 26 2HD1 LEU 26 13.443 1.212 2.547
468 3HD1 LEU 26 3HD1 LEU 26 12.853 0.351 1.127
469 1HD2 LEU 26 1HD2 LEU 26 16.109 2.173 1.956
470 2HD2 LEU 26 2HD2 LEU 26 15.623 3.509 0.912
471 3HD2 LEU 26 3HD2 LEU 26 14.674 3.120 2.348
472 H ARG 27 H ARG 27 15.409 0.321 -2.962
473 HA ARG 27 HA ARG 27 17.621 -1.277 -3.331
474 1HB ARG 27 1HB ARG 27 16.694 -1.608 -5.699
475 2HB ARG 27 2HB ARG 27 15.648 -2.016 -4.348
476 1HG ARG 27 1HG ARG 27 14.960 0.574 -4.782
477 2HG ARG 27 2HG ARG 27 15.360 0.041 -6.414
478 1HD ARG 27 1HD ARG 27 13.875 -2.053 -5.407
479 2HD ARG 27 2HD ARG 27 13.079 -0.631 -4.733
480 HE ARG 27 HE ARG 27 13.371 0.022 -7.335
481 1HH1 ARG 27 1HH1 ARG 27 12.053 -2.786 -5.734
482 2HH1 ARG 27 2HH1 ARG 27 10.918 -3.126 -6.996
483 1HH2 ARG 27 1HH2 ARG 27 11.881 -0.427 -8.996
484 2HH2 ARG 27 2HH2 ARG 27 10.821 -1.789 -8.849
485 H HIS 28 H HIS 28 17.101 1.962 -4.466
486 HA HIS 28 HA HIS 28 19.177 1.881 -6.454
487 1HB HIS 28 1HB HIS 28 17.061 3.583 -5.914
488 2HB HIS 28 2HB HIS 28 18.470 4.538 -5.467
489 HD1 HIS 28 HD1 HIS 28 16.393 4.249 -8.221
490 HD2 HIS 28 HD2 HIS 28 20.518 4.017 -7.782
491 HE1 HIS 28 HE1 HIS 28 17.377 4.734 -10.499
492 H LYS 29 H LYS 29 18.863 3.708 -3.400
493 HA LYS 29 HA LYS 29 21.697 4.199 -3.310
494 1HB LYS 29 1HB LYS 29 19.766 5.700 -2.435
495 2HB LYS 29 2HB LYS 29 19.820 4.666 -1.013
496 1HG LYS 29 1HG LYS 29 21.516 5.827 -0.202
497 2HG LYS 29 2HG LYS 29 22.475 5.479 -1.641
498 1HD LYS 29 1HD LYS 29 22.138 7.526 -2.499
499 2HD LYS 29 2HD LYS 29 20.433 7.535 -2.048
500 1HE LYS 29 1HE LYS 29 21.459 9.281 -0.823
501 2HE LYS 29 2HE LYS 29 21.176 7.968 0.319
502 1HZ LYS 29 1HZ LYS 29 23.634 7.381 -0.508
503 2HZ LYS 29 2HZ LYS 29 23.680 9.065 -0.660
504 3HZ LYS 29 3HZ LYS 29 23.316 8.361 0.834
505 H GLY 30 H GLY 30 23.045 2.602 -2.787
506 1HA GLY 30 1HA GLY 30 22.197 0.649 -0.752
507 2HA GLY 30 2HA GLY 30 23.450 0.382 -1.955
508 1HN NH2 31 1HN NH2 31 24.249 -0.318 0.380
509 2HN NH2 31 2HN NH2 31 25.259 0.855 1.148
Start of MODEL 13
1 1H ACE 0 1H ACE 0 -23.961 1.705 -7.541
2 2H ACE 0 2H ACE 0 -23.871 0.785 -6.039
3 3H ACE 0 3H ACE 0 -23.924 -0.058 -7.588
4 H GLU 1 H GLU 1 -21.956 2.029 -5.531
5 HA GLU 1 HA GLU 1 -19.603 1.572 -7.173
6 1HB GLU 1 1HB GLU 1 -18.502 3.013 -5.381
7 2HB GLU 1 2HB GLU 1 -19.717 3.783 -6.390
8 1HG GLU 1 1HG GLU 1 -20.663 2.577 -3.869
9 2HG GLU 1 2HG GLU 1 -19.648 4.011 -3.731
10 H VAL 2 H VAL 2 -21.156 0.013 -4.724
11 HA VAL 2 HA VAL 2 -19.627 -0.902 -2.788
12 HB VAL 2 HB VAL 2 -21.168 -2.577 -4.755
13 1HG1 VAL 2 1HG1 VAL 2 -19.574 -3.406 -2.407
14 2HG1 VAL 2 2HG1 VAL 2 -21.190 -4.100 -2.534
15 3HG1 VAL 2 3HG1 VAL 2 -20.032 -4.316 -3.846
16 1HG2 VAL 2 1HG2 VAL 2 -22.223 -0.768 -3.225
17 2HG2 VAL 2 2HG2 VAL 2 -22.983 -2.356 -3.337
18 3HG2 VAL 2 3HG2 VAL 2 -21.979 -1.956 -1.943
19 H ALA 3 H ALA 3 -19.365 -2.468 -5.991
20 HA ALA 3 HA ALA 3 -17.055 -3.935 -5.417
21 1HB ALA 3 1HB ALA 3 -18.209 -2.989 -8.031
22 2HB ALA 3 2HB ALA 3 -16.807 -4.052 -7.924
23 3HB ALA 3 3HB ALA 3 -18.363 -4.579 -7.284
24 H GLN 4 H GLN 4 -17.412 -0.798 -7.060
25 HA GLN 4 HA GLN 4 -14.770 -0.305 -7.692
26 1HB GLN 4 1HB GLN 4 -16.983 1.572 -6.882
27 2HB GLN 4 2HB GLN 4 -15.406 2.148 -7.405
28 1HG GLN 4 1HG GLN 4 -15.824 0.698 -9.495
29 2HG GLN 4 2HG GLN 4 -17.508 0.721 -8.978
30 1HE2 GLN 4 2HE2 GLN 4 -16.270 1.856 -11.360
31 2HE2 GLN 4 1HE2 GLN 4 -16.635 3.545 -11.333
32 H LEU 5 H LEU 5 -16.336 -0.184 -4.588
33 HA LEU 5 HA LEU 5 -14.077 1.154 -3.335
34 1HB LEU 5 1HB LEU 5 -16.567 0.012 -2.069
35 2HB LEU 5 2HB LEU 5 -15.394 1.060 -1.295
36 HG LEU 5 HG LEU 5 -17.057 1.900 -3.666
37 1HD1 LEU 5 1HD1 LEU 5 -18.283 1.299 -1.459
38 2HD1 LEU 5 2HD1 LEU 5 -17.571 2.799 -0.864
39 3HD1 LEU 5 3HD1 LEU 5 -18.642 2.826 -2.266
40 1HD2 LEU 5 1HD2 LEU 5 -15.201 3.316 -1.779
41 2HD2 LEU 5 2HD2 LEU 5 -15.160 3.272 -3.541
42 3HD2 LEU 5 3HD2 LEU 5 -16.424 4.179 -2.712
43 H GLU 6 H GLU 6 -15.585 -2.032 -3.452
44 HA GLU 6 HA GLU 6 -13.999 -3.242 -1.454
45 1HB GLU 6 1HB GLU 6 -15.421 -4.458 -3.829
46 2HB GLU 6 2HB GLU 6 -14.709 -5.384 -2.515
47 1HG GLU 6 1HG GLU 6 -16.347 -3.534 -1.252
48 2HG GLU 6 2HG GLU 6 -17.264 -4.050 -2.666
49 H LYS 7 H LYS 7 -13.708 -3.272 -5.007
50 HA LYS 7 HA LYS 7 -11.346 -4.768 -5.141
51 1HB LYS 7 1HB LYS 7 -12.108 -2.584 -7.077
52 2HB LYS 7 2HB LYS 7 -11.153 -4.024 -7.402
53 1HG LYS 7 1HG LYS 7 -13.501 -5.090 -6.505
54 2HG LYS 7 2HG LYS 7 -14.049 -3.655 -7.371
55 1HD LYS 7 1HD LYS 7 -12.047 -5.494 -8.620
56 2HD LYS 7 2HD LYS 7 -13.764 -5.897 -8.655
57 1HE LYS 7 1HE LYS 7 -13.818 -3.301 -9.444
58 2HE LYS 7 2HE LYS 7 -12.272 -3.825 -10.113
59 1HZ LYS 7 1HZ LYS 7 -14.673 -5.476 -10.523
60 2HZ LYS 7 2HZ LYS 7 -14.426 -4.108 -11.488
61 3HZ LYS 7 3HZ LYS 7 -13.281 -5.355 -11.477
62 H GLU 8 H GLU 8 -11.905 -1.420 -4.400
63 HA GLU 8 HA GLU 8 -9.387 -0.346 -4.932
64 1HB GLU 8 1HB GLU 8 -11.532 0.849 -4.230
65 2HB GLU 8 2HB GLU 8 -11.077 0.462 -2.576
66 1HG GLU 8 1HG GLU 8 -8.980 1.687 -2.876
67 2HG GLU 8 2HG GLU 8 -9.456 2.085 -4.525
68 H VAL 9 H VAL 9 -10.471 -2.440 -2.389
69 HA VAL 9 HA VAL 9 -8.255 -1.946 -0.632
70 HB VAL 9 HB VAL 9 -10.260 -4.210 -0.675
71 1HG1 VAL 9 1HG1 VAL 9 -8.171 -3.471 1.367
72 2HG1 VAL 9 2HG1 VAL 9 -9.516 -4.566 1.686
73 3HG1 VAL 9 3HG1 VAL 9 -8.310 -4.981 0.469
74 1HG2 VAL 9 1HG2 VAL 9 -10.123 -1.626 0.862
75 2HG2 VAL 9 2HG2 VAL 9 -11.392 -2.174 -0.234
76 3HG2 VAL 9 3HG2 VAL 9 -11.166 -2.971 1.324
77 H ALA 10 H ALA 10 -9.226 -4.790 -2.564
78 HA ALA 10 HA ALA 10 -6.915 -6.282 -2.244
79 1HB ALA 10 1HB ALA 10 -9.193 -6.807 -3.438
80 2HB ALA 10 2HB ALA 10 -8.301 -6.325 -4.882
81 3HB ALA 10 3HB ALA 10 -7.720 -7.663 -3.891
82 H GLN 11 H GLN 11 -7.474 -3.470 -4.185
83 HA GLN 11 HA GLN 11 -5.389 -3.760 -6.052
84 1HB GLN 11 1HB GLN 11 -7.142 -2.125 -6.384
85 2HB GLN 11 2HB GLN 11 -6.690 -1.283 -4.909
86 1HG GLN 11 1HG GLN 11 -5.805 0.022 -6.621
87 2HG GLN 11 2HG GLN 11 -4.428 -0.902 -6.024
88 1HE2 GLN 11 2HE2 GLN 11 -7.039 -1.241 -8.409
89 2HE2 GLN 11 1HE2 GLN 11 -6.039 -1.877 -9.666
90 H LEU 12 H LEU 12 -5.498 -2.101 -2.903
91 HA LEU 12 HA LEU 12 -2.665 -1.536 -3.006
92 1HB LEU 12 1HB LEU 12 -4.573 -1.190 -0.702
93 2HB LEU 12 2HB LEU 12 -2.972 -0.494 -0.843
94 HG LEU 12 HG LEU 12 -5.141 0.175 -2.813
95 1HD1 LEU 12 1HD1 LEU 12 -4.588 1.431 -0.137
96 2HD1 LEU 12 2HD1 LEU 12 -5.463 2.248 -1.429
97 3HD1 LEU 12 3HD1 LEU 12 -6.109 0.765 -0.728
98 1HD2 LEU 12 1HD2 LEU 12 -2.826 0.713 -3.415
99 2HD2 LEU 12 2HD2 LEU 12 -3.788 2.169 -3.158
100 3HD2 LEU 12 3HD2 LEU 12 -2.655 1.631 -1.919
101 H GLU 13 H GLU 13 -4.839 -3.700 -1.248
102 HA GLU 13 HA GLU 13 -3.188 -4.787 0.637
103 1HB GLU 13 1HB GLU 13 -5.470 -5.808 -0.947
104 2HB GLU 13 2HB GLU 13 -4.481 -7.024 -0.152
105 1HG GLU 13 1HG GLU 13 -4.824 -5.871 1.992
106 2HG GLU 13 2HG GLU 13 -5.866 -4.706 1.177
107 H ALA 14 H ALA 14 -3.021 -5.211 -2.809
108 HA ALA 14 HA ALA 14 -1.263 -7.486 -2.706
109 1HB ALA 14 1HB ALA 14 -2.867 -6.965 -4.583
110 2HB ALA 14 2HB ALA 14 -1.745 -5.696 -5.074
111 3HB ALA 14 3HB ALA 14 -1.223 -7.381 -5.068
112 H GLU 15 H GLU 15 -0.866 -4.026 -3.533
113 HA GLU 15 HA GLU 15 1.949 -4.272 -3.806
114 1HB GLU 15 1HB GLU 15 1.649 -1.697 -3.806
115 2HB GLU 15 2HB GLU 15 1.099 -2.636 -5.168
116 1HG GLU 15 1HG GLU 15 -1.151 -2.414 -4.517
117 2HG GLU 15 2HG GLU 15 -0.706 -1.804 -2.925
118 H ASN 16 H ASN 16 -0.235 -2.831 -1.387
119 HA ASN 16 HA ASN 16 1.680 -1.737 0.299
120 1HB ASN 16 1HB ASN 16 -0.718 -1.312 0.552
121 2HB ASN 16 2HB ASN 16 -0.978 -2.983 1.045
122 1HD2 ASN 16 2HD2 ASN 16 -1.909 -2.097 2.965
123 2HD2 ASN 16 1HD2 ASN 16 -0.895 -1.565 4.257
124 H TYR 17 H TYR 17 0.631 -5.049 -0.070
125 HA TYR 17 HA TYR 17 2.121 -5.923 2.268
126 1HB TYR 17 1HB TYR 17 0.022 -7.033 1.909
127 2HB TYR 17 2HB TYR 17 0.439 -7.403 0.240
128 HD1 TYR 17 HD1 TYR 17 0.941 -8.335 3.745
129 HD2 TYR 17 HD2 TYR 17 1.960 -9.225 -0.289
130 HE1 TYR 17 HE1 TYR 17 1.847 -10.506 4.458
131 HE2 TYR 17 HE2 TYR 17 2.869 -11.398 0.414
132 HH TYR 17 HH TYR 17 2.621 -12.984 2.273
133 H GLN 18 H GLN 18 2.323 -6.040 -1.241
134 HA GLN 18 HA GLN 18 4.484 -7.837 -1.436
135 1HB GLN 18 1HB GLN 18 3.065 -7.259 -3.348
136 2HB GLN 18 2HB GLN 18 3.669 -5.609 -3.310
137 1HG GLN 18 1HG GLN 18 5.972 -6.590 -3.688
138 2HG GLN 18 2HG GLN 18 5.154 -8.112 -4.040
139 1HE2 GLN 18 2HE2 GLN 18 5.111 -4.686 -4.944
140 2HE2 GLN 18 1HE2 GLN 18 4.765 -4.952 -6.615
141 H LEU 19 H LEU 19 4.345 -4.318 -1.127
142 HA LEU 19 HA LEU 19 7.155 -3.931 -1.411
143 1HB LEU 19 1HB LEU 19 4.945 -2.193 -0.340
144 2HB LEU 19 2HB LEU 19 6.614 -1.664 -0.398
145 HG LEU 19 HG LEU 19 4.859 -2.366 -2.750
146 1HD1 LEU 19 1HD1 LEU 19 5.809 0.155 -1.499
147 2HD1 LEU 19 2HD1 LEU 19 5.680 0.093 -3.257
148 3HD1 LEU 19 3HD1 LEU 19 4.261 -0.222 -2.258
149 1HD2 LEU 19 1HD2 LEU 19 7.803 -1.803 -2.572
150 2HD2 LEU 19 2HD2 LEU 19 6.983 -3.144 -3.371
151 3HD2 LEU 19 3HD2 LEU 19 6.883 -1.519 -4.049
152 H GLU 20 H GLU 20 4.955 -4.086 1.375
153 HA GLU 20 HA GLU 20 6.650 -3.471 3.433
154 1HB GLU 20 1HB GLU 20 4.124 -4.388 3.306
155 2HB GLU 20 2HB GLU 20 4.929 -5.842 3.881
156 1HG GLU 20 1HG GLU 20 5.308 -4.987 5.919
157 2HG GLU 20 2HG GLU 20 5.667 -3.378 5.292
158 H GLN 21 H GLN 21 6.638 -6.352 1.479
159 HA GLN 21 HA GLN 21 8.590 -7.656 3.220
160 1HB GLN 21 1HB GLN 21 6.529 -8.758 1.967
161 2HB GLN 21 2HB GLN 21 7.684 -8.860 0.646
162 1HG GLN 21 1HG GLN 21 8.423 -10.744 1.531
163 2HG GLN 21 2HG GLN 21 9.060 -9.799 2.875
164 1HE2 GLN 21 2HE2 GLN 21 8.159 -12.483 3.008
165 2HE2 GLN 21 1HE2 GLN 21 6.804 -12.531 4.078
166 H GLU 22 H GLU 22 8.320 -6.022 0.155
167 HA GLU 22 HA GLU 22 10.914 -6.846 -0.788
168 1HB GLU 22 1HB GLU 22 8.948 -6.233 -2.263
169 2HB GLU 22 2HB GLU 22 9.238 -4.558 -1.817
170 1HG GLU 22 1HG GLU 22 11.339 -4.532 -2.883
171 2HG GLU 22 2HG GLU 22 11.356 -6.287 -3.053
172 H VAL 23 H VAL 23 9.615 -4.266 1.119
173 HA VAL 23 HA VAL 23 11.839 -2.484 0.784
174 HB VAL 23 HB VAL 23 9.801 -2.453 3.010
175 1HG1 VAL 23 1HG1 VAL 23 12.014 -1.012 2.914
176 2HG1 VAL 23 2HG1 VAL 23 11.032 -0.013 1.842
177 3HG1 VAL 23 3HG1 VAL 23 10.493 -0.332 3.491
178 1HG2 VAL 23 1HG2 VAL 23 9.232 -2.271 0.301
179 2HG2 VAL 23 2HG2 VAL 23 8.210 -1.722 1.628
180 3HG2 VAL 23 3HG2 VAL 23 9.311 -0.594 0.837
181 H ALA 24 H ALA 24 10.964 -5.060 2.967
182 HA ALA 24 HA ALA 24 12.840 -4.469 5.013
183 1HB ALA 24 1HB ALA 24 11.083 -6.741 4.312
184 2HB ALA 24 2HB ALA 24 12.479 -7.105 5.326
185 3HB ALA 24 3HB ALA 24 11.300 -5.903 5.849
186 H GLN 25 H GLN 25 13.021 -6.201 1.985
187 HA GLN 25 HA GLN 25 15.663 -7.258 2.599
188 1HB GLN 25 1HB GLN 25 14.162 -7.454 -0.012
189 2HB GLN 25 2HB GLN 25 15.508 -8.449 0.526
190 1HG GLN 25 1HG GLN 25 14.206 -9.735 1.871
191 2HG GLN 25 2HG GLN 25 13.058 -8.436 2.193
192 1HE2 GLN 25 2HE2 GLN 25 12.542 -11.184 1.420
193 2HE2 GLN 25 1HE2 GLN 25 11.643 -11.117 -0.053
194 H LEU 26 H LEU 26 14.165 -4.699 0.757
195 HA LEU 26 HA LEU 26 16.379 -4.049 -0.878
196 1HB LEU 26 1HB LEU 26 13.945 -2.543 0.024
197 2HB LEU 26 2HB LEU 26 15.196 -1.745 -0.910
198 HG LEU 26 HG LEU 26 13.877 -4.261 -1.892
199 1HD1 LEU 26 1HD1 LEU 26 12.848 -1.471 -1.900
200 2HD1 LEU 26 2HD1 LEU 26 12.596 -2.468 -3.333
201 3HD1 LEU 26 3HD1 LEU 26 11.977 -2.998 -1.768
202 1HD2 LEU 26 1HD2 LEU 26 15.718 -2.209 -2.965
203 2HD2 LEU 26 2HD2 LEU 26 15.629 -3.940 -3.293
204 3HD2 LEU 26 3HD2 LEU 26 14.490 -2.836 -4.065
205 H GLU 27 H GLU 27 15.266 -2.768 2.243
206 HA GLU 27 HA GLU 27 17.654 -1.119 2.466
207 1HB GLU 27 1HB GLU 27 16.623 -0.241 4.498
208 2HB GLU 27 2HB GLU 27 15.495 -0.179 3.151
209 1HG GLU 27 1HG GLU 27 14.036 -1.136 4.522
210 2HG GLU 27 2HG GLU 27 14.957 -2.620 4.284
211 H HIS 28 H HIS 28 18.295 -3.807 2.390
212 HA HIS 28 HA HIS 28 18.703 -4.691 5.131
213 1HB HIS 28 1HB HIS 28 18.172 -6.105 2.906
214 2HB HIS 28 2HB HIS 28 19.931 -6.176 2.874
215 HD1 HIS 28 HD1 HIS 28 17.114 -6.928 5.343
216 HD2 HIS 28 HD2 HIS 28 20.961 -8.154 4.362
217 HE1 HIS 28 HE1 HIS 28 17.625 -8.913 6.824
218 H GLU 29 H GLU 29 20.614 -3.685 2.325
219 HA GLU 29 HA GLU 29 23.087 -3.859 3.828
220 1HB GLU 29 1HB GLU 29 22.878 -4.438 1.373
221 2HB GLU 29 2HB GLU 29 22.688 -2.718 1.063
222 1HG GLU 29 1HG GLU 29 24.886 -2.534 0.956
223 2HG GLU 29 2HG GLU 29 24.978 -2.973 2.661
224 H GLY 30 H GLY 30 21.695 -2.197 5.270
225 1HA GLY 30 1HA GLY 30 22.581 -0.122 6.204
226 2HA GLY 30 2HA GLY 30 22.745 0.471 4.558
227 1HN NH2 31 1HN NH2 31 21.547 2.266 5.739
228 2HN NH2 31 2HN NH2 31 19.821 2.214 5.662
229 1H ACE 0 1H ACE 0 -18.170 -5.532 4.832
230 2H ACE 0 2H ACE 0 -18.718 -4.215 5.869
231 3H ACE 0 3H ACE 0 -17.138 -4.125 5.091
232 H GLU 1 H GLU 1 -19.831 -2.559 4.970
233 HA GLU 1 HA GLU 1 -20.450 -2.737 2.144
234 1HB GLU 1 1HB GLU 1 -21.560 -0.705 4.067
235 2HB GLU 1 2HB GLU 1 -22.285 -1.312 2.585
236 1HG GLU 1 1HG GLU 1 -21.886 -3.535 4.267
237 2HG GLU 1 2HG GLU 1 -22.587 -2.256 5.258
238 H VAL 2 H VAL 2 -21.089 -0.023 1.678
239 HA VAL 2 HA VAL 2 -18.982 0.989 0.380
240 HB VAL 2 HB VAL 2 -19.941 3.352 1.180
241 1HG1 VAL 2 1HG1 VAL 2 -20.830 1.355 -0.808
242 2HG1 VAL 2 2HG1 VAL 2 -21.905 2.723 -0.521
243 3HG1 VAL 2 3HG1 VAL 2 -20.240 3.001 -1.034
244 1HG2 VAL 2 1HG2 VAL 2 -21.380 1.829 2.848
245 2HG2 VAL 2 2HG2 VAL 2 -21.977 3.348 2.179
246 3HG2 VAL 2 3HG2 VAL 2 -22.455 1.815 1.450
247 H GLN 3 H GLN 3 -19.681 2.860 3.261
248 HA GLN 3 HA GLN 3 -17.085 3.762 3.628
249 1HB GLN 3 1HB GLN 3 -19.322 4.590 4.649
250 2HB GLN 3 2HB GLN 3 -18.978 3.441 5.934
251 1HG GLN 3 1HG GLN 3 -17.601 4.871 6.901
252 2HG GLN 3 2HG GLN 3 -16.645 5.003 5.426
253 1HE2 GLN 3 2HE2 GLN 3 -17.613 6.958 7.523
254 2HE2 GLN 3 1HE2 GLN 3 -18.315 8.243 6.608
255 H ALA 4 H ALA 4 -18.736 0.980 5.043
256 HA ALA 4 HA ALA 4 -16.929 0.235 6.988
257 1HB ALA 4 1HB ALA 4 -19.196 -0.859 5.934
258 2HB ALA 4 2HB ALA 4 -17.967 -2.038 5.476
259 3HB ALA 4 3HB ALA 4 -18.183 -1.604 7.171
260 H LEU 5 H LEU 5 -16.626 -0.072 3.524
261 HA LEU 5 HA LEU 5 -14.055 -1.476 3.895
262 1HB LEU 5 1HB LEU 5 -16.144 -1.574 1.784
263 2HB LEU 5 2HB LEU 5 -14.479 -1.736 1.267
264 HG LEU 5 HG LEU 5 -15.617 -3.478 3.436
265 1HD1 LEU 5 1HD1 LEU 5 -16.890 -3.489 1.156
266 2HD1 LEU 5 2HD1 LEU 5 -15.483 -4.396 0.602
267 3HD1 LEU 5 3HD1 LEU 5 -16.455 -5.008 1.939
268 1HD2 LEU 5 1HD2 LEU 5 -13.158 -3.379 1.791
269 2HD2 LEU 5 2HD2 LEU 5 -13.384 -3.875 3.468
270 3HD2 LEU 5 3HD2 LEU 5 -13.819 -4.972 2.157
271 H LYS 6 H LYS 6 -15.734 1.021 2.128
272 HA LYS 6 HA LYS 6 -13.758 2.148 0.604
273 1HB LYS 6 1HB LYS 6 -15.999 2.887 0.366
274 2HB LYS 6 2HB LYS 6 -16.113 3.308 2.064
275 1HG LYS 6 1HG LYS 6 -14.987 5.297 1.787
276 2HG LYS 6 2HG LYS 6 -14.150 4.743 0.336
277 1HD LYS 6 1HD LYS 6 -15.716 6.254 -0.494
278 2HD LYS 6 2HD LYS 6 -16.499 4.690 -0.728
279 1HE LYS 6 1HE LYS 6 -18.229 5.806 0.239
280 2HE LYS 6 2HE LYS 6 -17.430 5.224 1.699
281 1HZ LYS 6 1HZ LYS 6 -16.155 7.532 1.304
282 2HZ LYS 6 2HZ LYS 6 -17.677 7.924 0.679
283 3HZ LYS 6 3HZ LYS 6 -17.535 7.378 2.273
284 H LYS 7 H LYS 7 -14.227 2.367 4.063
285 HA LYS 7 HA LYS 7 -12.259 4.492 4.323
286 1HB LYS 7 1HB LYS 7 -12.850 4.591 6.622
287 2HB LYS 7 2HB LYS 7 -14.348 4.395 5.725
288 1HG LYS 7 1HG LYS 7 -13.966 1.856 6.219
289 2HG LYS 7 2HG LYS 7 -12.945 2.476 7.517
290 1HD LYS 7 1HD LYS 7 -15.835 3.228 7.070
291 2HD LYS 7 2HD LYS 7 -15.263 2.049 8.253
292 1HE LYS 7 1HE LYS 7 -13.717 4.186 8.870
293 2HE LYS 7 2HE LYS 7 -15.182 4.990 8.311
294 1HZ LYS 7 1HZ LYS 7 -16.205 3.113 9.903
295 2HZ LYS 7 2HZ LYS 7 -14.738 3.402 10.694
296 3HZ LYS 7 3HZ LYS 7 -15.819 4.675 10.425
297 H ARG 8 H ARG 8 -12.386 1.051 4.476
298 HA ARG 8 HA ARG 8 -10.084 0.717 6.141
299 1HB ARG 8 1HB ARG 8 -10.318 -1.583 5.792
300 2HB ARG 8 2HB ARG 8 -11.964 -0.978 5.714
301 1HG ARG 8 1HG ARG 8 -12.204 -1.960 3.747
302 2HG ARG 8 2HG ARG 8 -10.957 -0.908 3.082
303 1HD ARG 8 1HD ARG 8 -9.695 -2.709 2.767
304 2HD ARG 8 2HD ARG 8 -9.586 -2.881 4.516
305 HE ARG 8 HE ARG 8 -11.232 -4.426 2.705
306 1HH1 ARG 8 1HH1 ARG 8 -10.614 -3.517 6.021
307 2HH1 ARG 8 2HH1 ARG 8 -11.421 -4.899 6.678
308 1HH2 ARG 8 1HH2 ARG 8 -12.294 -6.240 3.573
309 2HH2 ARG 8 2HH2 ARG 8 -12.374 -6.445 5.290
310 H VAL 9 H VAL 9 -10.605 1.306 2.779
311 HA VAL 9 HA VAL 9 -8.291 0.242 1.650
312 HB VAL 9 HB VAL 9 -9.701 2.793 0.848
313 1HG1 VAL 9 1HG1 VAL 9 -7.345 2.218 -0.084
314 2HG1 VAL 9 2HG1 VAL 9 -8.202 0.991 -1.013
315 3HG1 VAL 9 3HG1 VAL 9 -8.623 2.693 -1.200
316 1HG2 VAL 9 1HG2 VAL 9 -10.876 0.384 1.011
317 2HG2 VAL 9 2HG2 VAL 9 -11.286 1.584 -0.215
318 3HG2 VAL 9 3HG2 VAL 9 -10.178 0.269 -0.605
319 H GLN 10 H GLN 10 -8.835 3.490 3.003
320 HA GLN 10 HA GLN 10 -6.382 4.629 2.495
321 1HB GLN 10 1HB GLN 10 -6.825 6.161 4.279
322 2HB GLN 10 2HB GLN 10 -8.360 5.767 3.519
323 1HG GLN 10 1HG GLN 10 -8.323 3.915 5.460
324 2HG GLN 10 2HG GLN 10 -7.381 5.187 6.234
325 1HE2 GLN 10 2HE2 GLN 10 -9.591 4.653 7.487
326 2HE2 GLN 10 1HE2 GLN 10 -10.829 5.820 7.190
327 H ALA 11 H ALA 11 -7.174 2.165 4.814
328 HA ALA 11 HA ALA 11 -4.860 2.457 6.448
329 1HB ALA 11 1HB ALA 11 -6.976 1.325 7.136
330 2HB ALA 11 2HB ALA 11 -6.528 -0.025 6.093
331 3HB ALA 11 3HB ALA 11 -5.511 0.402 7.469
332 H LEU 12 H LEU 12 -5.297 1.208 3.311
333 HA LEU 12 HA LEU 12 -2.949 -0.530 3.519
334 1HB LEU 12 1HB LEU 12 -4.413 -0.203 0.954
335 2HB LEU 12 2HB LEU 12 -3.654 -1.627 1.629
336 HG LEU 12 HG LEU 12 -6.154 -0.531 2.868
337 1HD1 LEU 12 1HD1 LEU 12 -6.311 -0.918 0.306
338 2HD1 LEU 12 2HD1 LEU 12 -6.270 -2.626 0.744
339 3HD1 LEU 12 3HD1 LEU 12 -7.550 -1.585 1.368
340 1HD2 LEU 12 1HD2 LEU 12 -4.452 -2.652 3.454
341 2HD2 LEU 12 2HD2 LEU 12 -6.070 -2.381 4.101
342 3HD2 LEU 12 3HD2 LEU 12 -5.849 -3.399 2.678
343 H LYS 13 H LYS 13 -4.177 2.207 1.635
344 HA LYS 13 HA LYS 13 -1.677 2.574 0.266
345 1HB LYS 13 1HB LYS 13 -2.801 4.670 -0.597
346 2HB LYS 13 2HB LYS 13 -3.595 3.152 -0.986
347 1HG LYS 13 1HG LYS 13 -5.306 4.640 -0.390
348 2HG LYS 13 2HG LYS 13 -5.101 3.579 1.002
349 1HD LYS 13 1HD LYS 13 -4.395 5.256 2.329
350 2HD LYS 13 2HD LYS 13 -3.439 5.995 1.044
351 1HE LYS 13 1HE LYS 13 -6.274 6.206 0.509
352 2HE LYS 13 2HE LYS 13 -5.861 6.908 2.073
353 1HZ LYS 13 1HZ LYS 13 -4.101 7.599 -0.132
354 2HZ LYS 13 2HZ LYS 13 -5.670 8.228 -0.223
355 3HZ LYS 13 3HZ LYS 13 -4.699 8.565 1.121
356 H ALA 14 H ALA 14 -2.958 3.594 3.261
357 HA ALA 14 HA ALA 14 -1.721 6.099 3.555
358 1HB ALA 14 1HB ALA 14 -2.742 4.042 5.455
359 2HB ALA 14 2HB ALA 14 -1.780 5.384 6.073
360 3HB ALA 14 3HB ALA 14 -3.276 5.703 5.197
361 H ARG 15 H ARG 15 -0.640 2.942 4.824
362 HA ARG 15 HA ARG 15 1.993 3.979 5.369
363 1HB ARG 15 1HB ARG 15 0.841 2.273 6.802
364 2HB ARG 15 2HB ARG 15 1.045 1.114 5.495
365 1HG ARG 15 1HG ARG 15 2.808 0.669 6.949
366 2HG ARG 15 2HG ARG 15 3.539 1.630 5.661
367 1HD ARG 15 1HD ARG 15 4.127 3.235 7.088
368 2HD ARG 15 2HD ARG 15 2.502 3.314 7.767
369 HE ARG 15 HE ARG 15 3.200 2.003 9.511
370 1HH1 ARG 15 1HH1 ARG 15 5.578 1.859 6.962
371 2HH1 ARG 15 2HH1 ARG 15 6.738 1.004 7.921
372 1HH2 ARG 15 1HH2 ARG 15 4.726 0.879 10.777
373 2HH2 ARG 15 2HH2 ARG 15 6.254 0.446 10.087
374 H ASN 16 H ASN 16 0.441 2.124 2.858
375 HA ASN 16 HA ASN 16 2.758 1.029 1.672
376 1HB ASN 16 1HB ASN 16 0.596 0.125 1.130
377 2HB ASN 16 2HB ASN 16 0.040 1.676 0.522
378 1HD2 ASN 16 2HD2 ASN 16 -0.331 1.295 -1.560
379 2HD2 ASN 16 1HD2 ASN 16 0.822 0.658 -2.678
380 H TYR 17 H TYR 17 0.925 3.998 0.985
381 HA TYR 17 HA TYR 17 2.365 4.890 -1.209
382 1HB TYR 17 1HB TYR 17 0.306 5.973 -0.494
383 2HB TYR 17 2HB TYR 17 1.077 6.518 0.992
384 HD1 TYR 17 HD1 TYR 17 0.807 7.044 -2.626
385 HD2 TYR 17 HD2 TYR 17 2.622 8.385 0.979
386 HE1 TYR 17 HE1 TYR 17 1.507 9.112 -3.755
387 HE2 TYR 17 HE2 TYR 17 3.328 10.458 -0.139
388 HH TYR 17 HH TYR 17 2.121 11.693 -2.656
389 H ALA 18 H ALA 18 3.158 5.023 2.195
390 HA ALA 18 HA ALA 18 5.284 6.886 2.001
391 1HB ALA 18 1HB ALA 18 4.277 5.002 4.043
392 2HB ALA 18 2HB ALA 18 5.967 5.488 4.185
393 3HB ALA 18 3HB ALA 18 4.695 6.710 4.180
394 H LEU 19 H LEU 19 5.195 3.333 1.968
395 HA LEU 19 HA LEU 19 7.998 2.995 1.774
396 1HB LEU 19 1HB LEU 19 6.210 0.990 0.503
397 2HB LEU 19 2HB LEU 19 7.603 0.751 1.534
398 HG LEU 19 HG LEU 19 4.822 1.507 2.416
399 1HD1 LEU 19 1HD1 LEU 19 6.392 -0.989 2.322
400 2HD1 LEU 19 2HD1 LEU 19 5.457 -0.700 3.790
401 3HD1 LEU 19 3HD1 LEU 19 4.649 -0.734 2.222
402 1HD2 LEU 19 1HD2 LEU 19 7.179 2.290 3.632
403 2HD2 LEU 19 2HD2 LEU 19 5.593 2.180 4.396
404 3HD2 LEU 19 3HD2 LEU 19 6.720 0.828 4.505
405 H LYS 20 H LYS 20 5.429 2.937 -0.684
406 HA LYS 20 HA LYS 20 6.835 2.443 -2.963
407 1HB LYS 20 1HB LYS 20 4.307 3.254 -2.432
408 2HB LYS 20 2HB LYS 20 4.951 4.710 -3.178
409 1HG LYS 20 1HG LYS 20 4.743 3.826 -5.194
410 2HG LYS 20 2HG LYS 20 5.708 2.425 -4.727
411 1HD LYS 20 1HD LYS 20 3.547 1.671 -5.470
412 2HD LYS 20 2HD LYS 20 3.670 1.419 -3.728
413 1HE LYS 20 1HE LYS 20 1.678 2.443 -3.646
414 2HE LYS 20 2HE LYS 20 2.613 3.925 -3.845
415 1HZ LYS 20 1HZ LYS 20 1.923 2.561 -6.306
416 2HZ LYS 20 2HZ LYS 20 0.608 3.193 -5.449
417 3HZ LYS 20 3HZ LYS 20 1.873 4.209 -5.930
418 H GLN 21 H GLN 21 6.908 5.346 -1.040
419 HA GLN 21 HA GLN 21 8.244 6.934 -3.021
420 1HB GLN 21 1HB GLN 21 6.832 8.048 -1.433
421 2HB GLN 21 2HB GLN 21 7.720 7.361 -0.080
422 1HG GLN 21 1HG GLN 21 8.386 9.621 -0.281
423 2HG GLN 21 2HG GLN 21 9.726 8.638 -0.867
424 1HE2 GLN 21 2HE2 GLN 21 9.717 8.263 -3.267
425 2HE2 GLN 21 1HE2 GLN 21 9.304 9.610 -4.269
426 H LYS 22 H LYS 22 9.235 5.172 -0.102
427 HA LYS 22 HA LYS 22 12.006 5.946 -0.514
428 1HB LYS 22 1HB LYS 22 12.412 4.646 1.572
429 2HB LYS 22 2HB LYS 22 11.252 5.953 1.761
430 1HG LYS 22 1HG LYS 22 9.794 4.518 2.595
431 2HG LYS 22 2HG LYS 22 9.786 3.648 1.062
432 1HD LYS 22 1HD LYS 22 10.341 2.074 2.761
433 2HD LYS 22 2HD LYS 22 11.820 2.411 1.860
434 1HE LYS 22 1HE LYS 22 12.744 2.752 3.869
435 2HE LYS 22 2HE LYS 22 11.906 4.303 3.829
436 1HZ LYS 22 1HZ LYS 22 10.481 1.947 4.845
437 2HZ LYS 22 2HZ LYS 22 11.624 2.695 5.841
438 3HZ LYS 22 3HZ LYS 22 10.298 3.575 5.263
439 H VAL 23 H VAL 23 9.929 3.251 -1.142
440 HA VAL 23 HA VAL 23 11.505 1.051 -1.183
441 HB VAL 23 HB VAL 23 9.501 1.903 -3.272
442 1HG1 VAL 23 1HG1 VAL 23 11.224 -0.492 -3.138
443 2HG1 VAL 23 2HG1 VAL 23 9.520 -0.773 -3.500
444 3HG1 VAL 23 3HG1 VAL 23 10.476 0.294 -4.529
445 1HG2 VAL 23 1HG2 VAL 23 9.181 1.113 -0.636
446 2HG2 VAL 23 2HG2 VAL 23 7.933 1.143 -1.882
447 3HG2 VAL 23 3HG2 VAL 23 8.828 -0.343 -1.567
448 H GLN 24 H GLN 24 11.190 3.196 -4.030
449 HA GLN 24 HA GLN 24 13.322 2.000 -5.423
450 1HB GLN 24 1HB GLN 24 13.233 4.036 -6.866
451 2HB GLN 24 2HB GLN 24 11.692 3.216 -6.663
452 1HG GLN 24 1HG GLN 24 10.975 4.871 -5.061
453 2HG GLN 24 2HG GLN 24 12.550 5.660 -5.131
454 1HE2 GLN 24 2HE2 GLN 24 13.139 5.904 -7.678
455 2HE2 GLN 24 1HE2 GLN 24 11.945 6.810 -8.538
456 H ALA 25 H ALA 25 13.320 4.156 -2.799
457 HA ALA 25 HA ALA 25 15.870 5.372 -3.399
458 1HB ALA 25 1HB ALA 25 13.731 5.988 -1.706
459 2HB ALA 25 2HB ALA 25 15.086 5.619 -0.638
460 3HB ALA 25 3HB ALA 25 15.251 6.868 -1.873
461 H LEU 26 H LEU 26 14.665 2.585 -1.741
462 HA LEU 26 HA LEU 26 17.030 2.121 -0.173
463 1HB LEU 26 1HB LEU 26 14.808 0.197 -0.855
464 2HB LEU 26 2HB LEU 26 15.980 0.027 0.439
465 HG LEU 26 HG LEU 26 13.881 2.183 0.277
466 1HD1 LEU 26 1HD1 LEU 26 13.979 -0.462 1.669
467 2HD1 LEU 26 2HD1 LEU 26 13.048 0.877 2.342
468 3HD1 LEU 26 3HD1 LEU 26 12.670 0.261 0.733
469 1HD2 LEU 26 1HD2 LEU 26 16.172 1.674 2.071
470 2HD2 LEU 26 2HD2 LEU 26 15.398 3.192 1.621
471 3HD2 LEU 26 3HD2 LEU 26 14.658 2.152 2.837
472 H ARG 27 H ARG 27 15.574 0.535 -3.016
473 HA ARG 27 HA ARG 27 17.454 -1.406 -3.478
474 1HB ARG 27 1HB ARG 27 16.365 -1.752 -5.434
475 2HB ARG 27 2HB ARG 27 15.225 -0.612 -4.754
476 1HG ARG 27 1HG ARG 27 17.367 0.677 -6.261
477 2HG ARG 27 2HG ARG 27 16.401 -0.444 -7.220
478 1HD ARG 27 1HD ARG 27 14.435 0.727 -6.835
479 2HD ARG 27 2HD ARG 27 15.092 1.546 -5.419
480 HE ARG 27 HE ARG 27 16.036 3.133 -6.799
481 1HH1 ARG 27 1HH1 ARG 27 14.841 0.475 -8.723
482 2HH1 ARG 27 2HH1 ARG 27 15.033 1.313 -10.225
483 1HH2 ARG 27 1HH2 ARG 27 16.289 4.234 -8.775
484 2HH2 ARG 27 2HH2 ARG 27 15.856 3.447 -10.255
485 H HIS 28 H HIS 28 17.743 2.013 -4.039
486 HA HIS 28 HA HIS 28 20.116 1.777 -5.662
487 1HB HIS 28 1HB HIS 28 18.452 3.662 -5.850
488 2HB HIS 28 2HB HIS 28 19.043 4.252 -4.301
489 HD1 HIS 28 HD1 HIS 28 20.088 3.877 -7.901
490 HD2 HIS 28 HD2 HIS 28 21.467 5.558 -4.360
491 HE1 HIS 28 HE1 HIS 28 22.054 5.340 -8.528
492 H LYS 29 H LYS 29 19.524 3.343 -2.507
493 HA LYS 29 HA LYS 29 22.267 3.443 -1.819
494 1HB LYS 29 1HB LYS 29 19.706 4.101 -0.550
495 2HB LYS 29 2HB LYS 29 20.944 3.585 0.584
496 1HG LYS 29 1HG LYS 29 22.343 5.332 -0.942
497 2HG LYS 29 2HG LYS 29 20.731 6.049 -0.991
498 1HD LYS 29 1HD LYS 29 21.136 5.298 1.675
499 2HD LYS 29 2HD LYS 29 22.661 6.014 1.152
500 1HE LYS 29 1HE LYS 29 21.679 7.966 1.654
501 2HE LYS 29 2HE LYS 29 20.851 7.761 0.111
502 1HZ LYS 29 1HZ LYS 29 19.108 6.519 1.451
503 2HZ LYS 29 2HZ LYS 29 19.835 7.185 2.827
504 3HZ LYS 29 3HZ LYS 29 19.170 8.199 1.647
505 H GLY 30 H GLY 30 23.566 1.908 -1.062
506 1HA GLY 30 1HA GLY 30 23.695 0.188 0.796
507 2HA GLY 30 2HA GLY 30 22.324 -0.557 -0.013
508 1HN NH2 31 1HN NH2 31 22.893 -2.284 -1.115
509 2HN NH2 31 2HN NH2 31 24.365 -2.502 -1.992
Start of MODEL 14
1 1H ACE 0 1H ACE 0 -23.622 3.181 -2.257
2 2H ACE 0 2H ACE 0 -24.283 3.853 -3.747
3 3H ACE 0 3H ACE 0 -22.898 4.622 -2.971
4 H GLU 1 H GLU 1 -21.040 4.233 -3.984
5 HA GLU 1 HA GLU 1 -20.774 2.071 -5.860
6 1HB GLU 1 1HB GLU 1 -18.524 3.833 -4.927
7 2HB GLU 1 2HB GLU 1 -18.724 3.047 -6.486
8 1HG GLU 1 1HG GLU 1 -19.421 5.029 -7.209
9 2HG GLU 1 2HG GLU 1 -20.925 4.666 -6.364
10 H VAL 2 H VAL 2 -20.713 0.109 -4.890
11 HA VAL 2 HA VAL 2 -18.989 -0.333 -2.587
12 HB VAL 2 HB VAL 2 -20.679 -2.366 -4.043
13 1HG1 VAL 2 1HG1 VAL 2 -18.850 -3.169 -2.524
14 2HG1 VAL 2 2HG1 VAL 2 -19.699 -2.378 -1.196
15 3HG1 VAL 2 3HG1 VAL 2 -20.474 -3.693 -2.078
16 1HG2 VAL 2 1HG2 VAL 2 -21.924 -0.330 -3.149
17 2HG2 VAL 2 2HG2 VAL 2 -22.474 -1.912 -2.595
18 3HG2 VAL 2 3HG2 VAL 2 -21.480 -0.907 -1.542
19 H ALA 3 H ALA 3 -19.383 -1.684 -5.863
20 HA ALA 3 HA ALA 3 -17.164 -3.371 -5.834
21 1HB ALA 3 1HB ALA 3 -19.127 -2.888 -7.608
22 2HB ALA 3 2HB ALA 3 -17.784 -2.071 -8.407
23 3HB ALA 3 3HB ALA 3 -17.659 -3.782 -7.998
24 H GLN 4 H GLN 4 -17.412 0.064 -6.537
25 HA GLN 4 HA GLN 4 -14.825 0.406 -7.613
26 1HB GLN 4 1HB GLN 4 -16.932 2.187 -6.510
27 2HB GLN 4 2HB GLN 4 -15.302 2.838 -6.599
28 1HG GLN 4 1HG GLN 4 -15.515 3.218 -8.764
29 2HG GLN 4 2HG GLN 4 -15.947 1.535 -9.062
30 1HE2 GLN 4 2HE2 GLN 4 -16.947 4.540 -9.595
31 2HE2 GLN 4 1HE2 GLN 4 -18.660 4.316 -9.613
32 H LEU 5 H LEU 5 -16.052 0.328 -4.334
33 HA LEU 5 HA LEU 5 -13.515 1.196 -3.218
34 1HB LEU 5 1HB LEU 5 -16.081 0.285 -1.915
35 2HB LEU 5 2HB LEU 5 -14.662 0.819 -1.033
36 HG LEU 5 HG LEU 5 -16.069 2.582 -3.026
37 1HD1 LEU 5 1HD1 LEU 5 -16.589 2.267 -0.078
38 2HD1 LEU 5 2HD1 LEU 5 -17.119 3.652 -1.032
39 3HD1 LEU 5 3HD1 LEU 5 -17.731 2.040 -1.402
40 1HD2 LEU 5 1HD2 LEU 5 -13.765 3.174 -2.414
41 2HD2 LEU 5 2HD2 LEU 5 -14.931 4.363 -1.835
42 3HD2 LEU 5 3HD2 LEU 5 -14.232 3.194 -0.714
43 H GLU 6 H GLU 6 -15.295 -1.754 -3.767
44 HA GLU 6 HA GLU 6 -13.965 -3.476 -2.019
45 1HB GLU 6 1HB GLU 6 -15.494 -3.793 -4.545
46 2HB GLU 6 2HB GLU 6 -14.490 -5.147 -4.047
47 1HG GLU 6 1HG GLU 6 -16.263 -3.945 -2.003
48 2HG GLU 6 2HG GLU 6 -17.020 -4.880 -3.292
49 H LYS 7 H LYS 7 -13.295 -2.899 -5.473
50 HA LYS 7 HA LYS 7 -10.916 -4.420 -5.505
51 1HB LYS 7 1HB LYS 7 -12.071 -2.347 -7.350
52 2HB LYS 7 2HB LYS 7 -10.489 -3.053 -7.650
53 1HG LYS 7 1HG LYS 7 -11.836 -4.407 -8.915
54 2HG LYS 7 2HG LYS 7 -11.761 -5.315 -7.402
55 1HD LYS 7 1HD LYS 7 -13.898 -4.311 -6.716
56 2HD LYS 7 2HD LYS 7 -13.975 -3.447 -8.252
57 1HE LYS 7 1HE LYS 7 -14.962 -5.209 -9.172
58 2HE LYS 7 2HE LYS 7 -13.519 -6.169 -8.853
59 1HZ LYS 7 1HZ LYS 7 -14.765 -6.108 -6.450
60 2HZ LYS 7 2HZ LYS 7 -16.066 -6.195 -7.525
61 3HZ LYS 7 3HZ LYS 7 -14.855 -7.377 -7.564
62 H GLU 8 H GLU 8 -11.607 -1.160 -4.559
63 HA GLU 8 HA GLU 8 -9.118 0.040 -4.890
64 1HB GLU 8 1HB GLU 8 -11.286 1.129 -4.161
65 2HB GLU 8 2HB GLU 8 -10.940 0.538 -2.541
66 1HG GLU 8 1HG GLU 8 -8.760 1.768 -2.666
67 2HG GLU 8 2HG GLU 8 -9.338 2.495 -4.164
68 H VAL 9 H VAL 9 -10.220 -2.283 -2.550
69 HA VAL 9 HA VAL 9 -7.993 -1.918 -0.757
70 HB VAL 9 HB VAL 9 -10.093 -4.090 -0.916
71 1HG1 VAL 9 1HG1 VAL 9 -8.043 -4.965 0.091
72 2HG1 VAL 9 2HG1 VAL 9 -8.018 -3.616 1.226
73 3HG1 VAL 9 3HG1 VAL 9 -9.323 -4.800 1.293
74 1HG2 VAL 9 1HG2 VAL 9 -9.759 -1.690 0.875
75 2HG2 VAL 9 2HG2 VAL 9 -11.049 -1.988 -0.290
76 3HG2 VAL 9 3HG2 VAL 9 -10.922 -2.984 1.159
77 H ALA 10 H ALA 10 -9.046 -4.551 -2.929
78 HA ALA 10 HA ALA 10 -6.805 -6.170 -2.706
79 1HB ALA 10 1HB ALA 10 -8.939 -5.810 -4.722
80 2HB ALA 10 2HB ALA 10 -7.486 -6.659 -5.250
81 3HB ALA 10 3HB ALA 10 -8.410 -7.263 -3.874
82 H GLN 11 H GLN 11 -7.256 -3.194 -4.434
83 HA GLN 11 HA GLN 11 -5.105 -3.372 -6.241
84 1HB GLN 11 1HB GLN 11 -6.898 -1.690 -6.419
85 2HB GLN 11 2HB GLN 11 -6.314 -0.917 -4.952
86 1HG GLN 11 1HG GLN 11 -5.454 0.393 -6.664
87 2HG GLN 11 2HG GLN 11 -4.101 -0.637 -6.196
88 1HE2 GLN 11 2HE2 GLN 11 -2.998 -0.751 -8.058
89 2HE2 GLN 11 1HE2 GLN 11 -3.627 -1.383 -9.538
90 H LEU 12 H LEU 12 -5.323 -1.923 -2.995
91 HA LEU 12 HA LEU 12 -2.485 -1.381 -2.941
92 1HB LEU 12 1HB LEU 12 -4.446 -1.198 -0.660
93 2HB LEU 12 2HB LEU 12 -2.871 -0.437 -0.769
94 HG LEU 12 HG LEU 12 -5.125 0.238 -2.649
95 1HD1 LEU 12 1HD1 LEU 12 -4.389 1.512 -0.021
96 2HD1 LEU 12 2HD1 LEU 12 -5.445 2.248 -1.226
97 3HD1 LEU 12 3HD1 LEU 12 -5.917 0.740 -0.442
98 1HD2 LEU 12 1HD2 LEU 12 -2.385 1.257 -2.117
99 2HD2 LEU 12 2HD2 LEU 12 -3.251 1.082 -3.642
100 3HD2 LEU 12 3HD2 LEU 12 -3.634 2.421 -2.560
101 H GLU 13 H GLU 13 -4.710 -3.756 -1.618
102 HA GLU 13 HA GLU 13 -3.064 -4.931 0.294
103 1HB GLU 13 1HB GLU 13 -5.432 -5.761 -1.262
104 2HB GLU 13 2HB GLU 13 -4.456 -7.074 -0.620
105 1HG GLU 13 1HG GLU 13 -4.658 -6.099 1.626
106 2HG GLU 13 2HG GLU 13 -5.691 -4.832 0.963
107 H ALA 14 H ALA 14 -2.931 -5.086 -3.160
108 HA ALA 14 HA ALA 14 -1.152 -7.389 -3.159
109 1HB ALA 14 1HB ALA 14 -2.646 -5.870 -5.204
110 2HB ALA 14 2HB ALA 14 -1.119 -6.589 -5.715
111 3HB ALA 14 3HB ALA 14 -2.390 -7.607 -5.039
112 H GLU 15 H GLU 15 -1.047 -3.910 -3.716
113 HA GLU 15 HA GLU 15 1.752 -3.935 -4.424
114 1HB GLU 15 1HB GLU 15 -0.020 -2.276 -5.255
115 2HB GLU 15 2HB GLU 15 0.137 -1.504 -3.684
116 1HG GLU 15 1HG GLU 15 1.701 -0.273 -4.693
117 2HG GLU 15 2HG GLU 15 2.733 -1.678 -4.432
118 H ASN 16 H ASN 16 -0.142 -2.575 -1.725
119 HA ASN 16 HA ASN 16 1.948 -1.694 -0.147
120 1HB ASN 16 1HB ASN 16 -0.454 -1.250 0.283
121 2HB ASN 16 2HB ASN 16 -0.645 -2.913 0.826
122 1HD2 ASN 16 2HD2 ASN 16 -1.357 -2.064 2.831
123 2HD2 ASN 16 1HD2 ASN 16 -0.223 -1.486 3.998
124 H TYR 17 H TYR 17 0.779 -4.940 -0.646
125 HA TYR 17 HA TYR 17 2.232 -6.052 1.581
126 1HB TYR 17 1HB TYR 17 0.176 -7.131 0.908
127 2HB TYR 17 2HB TYR 17 0.775 -7.344 -0.733
128 HD1 TYR 17 HD1 TYR 17 2.496 -9.031 -1.219
129 HD2 TYR 17 HD2 TYR 17 0.839 -8.620 2.678
130 HE1 TYR 17 HE1 TYR 17 3.390 -11.238 -0.614
131 HE2 TYR 17 HE2 TYR 17 1.730 -10.827 3.295
132 HH TYR 17 HH TYR 17 3.977 -12.521 1.319
133 H GLN 18 H GLN 18 2.586 -5.964 -1.943
134 HA GLN 18 HA GLN 18 4.863 -7.586 -2.133
135 1HB GLN 18 1HB GLN 18 3.295 -6.606 -3.977
136 2HB GLN 18 2HB GLN 18 4.431 -5.264 -3.977
137 1HG GLN 18 1HG GLN 18 6.103 -6.492 -4.902
138 2HG GLN 18 2HG GLN 18 5.543 -8.001 -4.185
139 1HE2 GLN 18 2HE2 GLN 18 4.771 -9.401 -5.577
140 2HE2 GLN 18 1HE2 GLN 18 4.009 -9.037 -7.084
141 H LEU 19 H LEU 19 4.488 -4.259 -1.190
142 HA LEU 19 HA LEU 19 7.330 -3.710 -1.421
143 1HB LEU 19 1HB LEU 19 5.164 -1.973 -0.247
144 2HB LEU 19 2HB LEU 19 6.780 -1.471 -0.705
145 HG LEU 19 HG LEU 19 4.863 -2.576 -2.737
146 1HD1 LEU 19 1HD1 LEU 19 3.751 -0.707 -1.600
147 2HD1 LEU 19 2HD1 LEU 19 5.151 0.314 -1.931
148 3HD1 LEU 19 3HD1 LEU 19 4.180 -0.309 -3.265
149 1HD2 LEU 19 1HD2 LEU 19 7.447 -1.090 -2.754
150 2HD2 LEU 19 2HD2 LEU 19 6.934 -2.476 -3.718
151 3HD2 LEU 19 3HD2 LEU 19 6.317 -0.867 -4.090
152 H GLU 20 H GLU 20 4.908 -3.692 1.199
153 HA GLU 20 HA GLU 20 6.528 -3.239 3.355
154 1HB GLU 20 1HB GLU 20 3.976 -3.634 3.232
155 2HB GLU 20 2HB GLU 20 4.373 -5.326 3.497
156 1HG GLU 20 1HG GLU 20 5.807 -4.039 5.457
157 2HG GLU 20 2HG GLU 20 4.316 -3.103 5.366
158 H GLN 21 H GLN 21 6.322 -6.143 1.447
159 HA GLN 21 HA GLN 21 7.851 -7.690 3.376
160 1HB GLN 21 1HB GLN 21 5.987 -8.343 1.412
161 2HB GLN 21 2HB GLN 21 7.515 -8.925 0.766
162 1HG GLN 21 1HG GLN 21 6.302 -9.637 3.426
163 2HG GLN 21 2HG GLN 21 6.416 -10.674 2.004
164 1HE2 GLN 21 2HE2 GLN 21 8.139 -9.217 4.642
165 2HE2 GLN 21 1HE2 GLN 21 9.579 -10.161 4.493
166 H GLU 22 H GLU 22 8.341 -5.908 0.429
167 HA GLU 22 HA GLU 22 10.976 -7.030 -0.024
168 1HB GLU 22 1HB GLU 22 9.345 -6.290 -1.848
169 2HB GLU 22 2HB GLU 22 9.780 -4.642 -1.418
170 1HG GLU 22 1HG GLU 22 11.768 -4.763 -2.439
171 2HG GLU 22 2HG GLU 22 12.058 -6.418 -1.905
172 H VAL 23 H VAL 23 9.539 -4.138 1.325
173 HA VAL 23 HA VAL 23 11.885 -2.560 1.428
174 HB VAL 23 HB VAL 23 9.591 -2.358 3.373
175 1HG1 VAL 23 1HG1 VAL 23 11.769 -0.560 2.427
176 2HG1 VAL 23 2HG1 VAL 23 10.226 0.148 2.904
177 3HG1 VAL 23 3HG1 VAL 23 11.148 -0.819 4.057
178 1HG2 VAL 23 1HG2 VAL 23 9.480 -2.145 0.517
179 2HG2 VAL 23 2HG2 VAL 23 8.187 -1.948 1.700
180 3HG2 VAL 23 3HG2 VAL 23 9.179 -0.565 1.240
181 H ALA 24 H ALA 24 10.588 -5.056 3.488
182 HA ALA 24 HA ALA 24 12.068 -4.507 5.819
183 1HB ALA 24 1HB ALA 24 10.585 -6.841 4.752
184 2HB ALA 24 2HB ALA 24 11.723 -7.126 6.068
185 3HB ALA 24 3HB ALA 24 10.400 -5.980 6.280
186 H GLN 25 H GLN 25 13.066 -5.703 2.780
187 HA GLN 25 HA GLN 25 15.555 -6.749 3.957
188 1HB GLN 25 1HB GLN 25 14.202 -7.379 1.333
189 2HB GLN 25 2HB GLN 25 15.836 -7.896 1.724
190 1HG GLN 25 1HG GLN 25 14.014 -8.605 3.834
191 2HG GLN 25 2HG GLN 25 13.450 -9.223 2.283
192 1HE2 GLN 25 2HE2 GLN 25 16.168 -9.163 4.506
193 2HE2 GLN 25 1HE2 GLN 25 16.874 -10.649 3.980
194 H LEU 26 H LEU 26 14.184 -4.467 1.701
195 HA LEU 26 HA LEU 26 16.518 -3.782 0.296
196 1HB LEU 26 1HB LEU 26 13.989 -2.276 0.909
197 2HB LEU 26 2HB LEU 26 15.289 -1.551 -0.018
198 HG LEU 26 HG LEU 26 13.735 -4.024 -0.775
199 1HD1 LEU 26 1HD1 LEU 26 12.838 -1.528 -0.975
200 2HD1 LEU 26 2HD1 LEU 26 13.809 -1.582 -2.446
201 3HD1 LEU 26 3HD1 LEU 26 12.513 -2.753 -2.201
202 1HD2 LEU 26 1HD2 LEU 26 16.081 -2.654 -2.060
203 2HD2 LEU 26 2HD2 LEU 26 15.927 -4.345 -1.587
204 3HD2 LEU 26 3HD2 LEU 26 14.995 -3.723 -2.949
205 H GLU 27 H GLU 27 14.960 -1.568 2.600
206 HA GLU 27 HA GLU 27 17.328 -0.141 3.122
207 1HB GLU 27 1HB GLU 27 16.071 0.927 4.937
208 2HB GLU 27 2HB GLU 27 15.118 0.837 3.461
209 1HG GLU 27 1HG GLU 27 13.604 0.241 5.096
210 2HG GLU 27 2HG GLU 27 14.148 -1.317 4.478
211 H HIS 28 H HIS 28 15.854 -2.905 4.697
212 HA HIS 28 HA HIS 28 17.454 -2.838 7.042
213 1HB HIS 28 1HB HIS 28 15.239 -4.124 6.572
214 2HB HIS 28 2HB HIS 28 16.298 -5.371 5.920
215 HD1 HIS 28 HD1 HIS 28 14.554 -4.832 8.861
216 HD2 HIS 28 HD2 HIS 28 18.545 -5.681 8.082
217 HE1 HIS 28 HE1 HIS 28 15.500 -5.813 10.991
218 H GLU 29 H GLU 29 17.559 -5.146 4.321
219 HA GLU 29 HA GLU 29 20.281 -5.865 5.005
220 1HB GLU 29 1HB GLU 29 18.248 -7.315 3.993
221 2HB GLU 29 2HB GLU 29 19.061 -6.869 2.498
222 1HG GLU 29 1HG GLU 29 19.894 -8.985 3.211
223 2HG GLU 29 2HG GLU 29 21.167 -7.785 3.431
224 H GLY 30 H GLY 30 22.031 -4.937 4.181
225 1HA GLY 30 1HA GLY 30 21.863 -3.714 1.510
226 2HA GLY 30 2HA GLY 30 22.475 -2.763 2.855
227 1HN NH2 31 1HN NH2 31 24.596 -2.723 3.064
228 2HN NH2 31 2HN NH2 31 25.700 -3.924 2.495
229 1H ACE 0 1H ACE 0 -16.860 -4.703 3.734
230 2H ACE 0 2H ACE 0 -18.343 -5.659 3.701
231 3H ACE 0 3H ACE 0 -18.169 -4.343 4.862
232 H GLU 1 H GLU 1 -19.504 -2.737 4.307
233 HA GLU 1 HA GLU 1 -20.148 -2.240 1.525
234 1HB GLU 1 1HB GLU 1 -21.146 -0.637 3.866
235 2HB GLU 1 2HB GLU 1 -21.912 -0.880 2.303
236 1HG GLU 1 1HG GLU 1 -22.523 -3.096 2.836
237 2HG GLU 1 2HG GLU 1 -21.479 -3.118 4.256
238 H VAL 2 H VAL 2 -20.649 0.519 1.653
239 HA VAL 2 HA VAL 2 -18.471 1.686 0.618
240 HB VAL 2 HB VAL 2 -19.369 3.874 1.855
241 1HG1 VAL 2 1HG1 VAL 2 -19.431 3.334 -0.565
242 2HG1 VAL 2 2HG1 VAL 2 -20.942 2.464 -0.294
243 3HG1 VAL 2 3HG1 VAL 2 -20.860 4.200 0.001
244 1HG2 VAL 2 1HG2 VAL 2 -20.911 2.072 3.137
245 2HG2 VAL 2 2HG2 VAL 2 -21.397 3.742 2.842
246 3HG2 VAL 2 3HG2 VAL 2 -21.955 2.458 1.769
247 H GLN 3 H GLN 3 -19.185 2.967 3.802
248 HA GLN 3 HA GLN 3 -16.581 3.677 4.410
249 1HB GLN 3 1HB GLN 3 -18.835 3.023 6.314
250 2HB GLN 3 2HB GLN 3 -17.370 3.894 6.740
251 1HG GLN 3 1HG GLN 3 -18.248 5.371 4.651
252 2HG GLN 3 2HG GLN 3 -19.774 4.810 5.334
253 1HE2 GLN 3 2HE2 GLN 3 -17.721 7.294 5.364
254 2HE2 GLN 3 1HE2 GLN 3 -17.975 7.901 6.961
255 H ALA 4 H ALA 4 -18.318 0.691 5.101
256 HA ALA 4 HA ALA 4 -16.558 -0.474 6.900
257 1HB ALA 4 1HB ALA 4 -18.856 -1.265 5.637
258 2HB ALA 4 2HB ALA 4 -17.658 -2.386 4.992
259 3HB ALA 4 3HB ALA 4 -17.895 -2.255 6.735
260 H LEU 5 H LEU 5 -16.242 -0.075 3.453
261 HA LEU 5 HA LEU 5 -13.729 -1.621 3.534
262 1HB LEU 5 1HB LEU 5 -15.792 -1.208 1.442
263 2HB LEU 5 2HB LEU 5 -14.131 -1.322 0.907
264 HG LEU 5 HG LEU 5 -15.381 -3.428 2.657
265 1HD1 LEU 5 1HD1 LEU 5 -16.576 -2.927 0.394
266 2HD1 LEU 5 2HD1 LEU 5 -15.174 -3.740 -0.304
267 3HD1 LEU 5 3HD1 LEU 5 -16.204 -4.590 0.849
268 1HD2 LEU 5 1HD2 LEU 5 -12.874 -3.110 1.100
269 2HD2 LEU 5 2HD2 LEU 5 -13.146 -3.869 2.669
270 3HD2 LEU 5 3HD2 LEU 5 -13.594 -4.717 1.190
271 H LYS 6 H LYS 6 -15.297 1.238 2.265
272 HA LYS 6 HA LYS 6 -13.302 2.591 1.013
273 1HB LYS 6 1HB LYS 6 -15.484 3.499 1.017
274 2HB LYS 6 2HB LYS 6 -15.556 3.506 2.770
275 1HG LYS 6 1HG LYS 6 -14.751 5.577 2.865
276 2HG LYS 6 2HG LYS 6 -13.388 5.161 1.825
277 1HD LYS 6 1HD LYS 6 -14.373 6.631 0.419
278 2HD LYS 6 2HD LYS 6 -15.364 5.232 -0.002
279 1HE LYS 6 1HE LYS 6 -16.985 6.810 0.399
280 2HE LYS 6 2HE LYS 6 -16.845 6.061 1.989
281 1HZ LYS 6 1HZ LYS 6 -15.444 8.547 1.170
282 2HZ LYS 6 2HZ LYS 6 -16.875 8.504 2.069
283 3HZ LYS 6 3HZ LYS 6 -15.452 7.857 2.716
284 H LYS 7 H LYS 7 -13.803 2.259 4.493
285 HA LYS 7 HA LYS 7 -11.632 4.075 5.114
286 1HB LYS 7 1HB LYS 7 -13.590 2.473 6.707
287 2HB LYS 7 2HB LYS 7 -12.124 3.047 7.489
288 1HG LYS 7 1HG LYS 7 -13.106 4.997 7.830
289 2HG LYS 7 2HG LYS 7 -13.188 5.239 6.085
290 1HD LYS 7 1HD LYS 7 -15.405 5.456 6.805
291 2HD LYS 7 2HD LYS 7 -15.312 3.816 6.174
292 1HE LYS 7 1HE LYS 7 -15.875 2.956 8.146
293 2HE LYS 7 2HE LYS 7 -14.599 3.858 8.961
294 1HZ LYS 7 1HZ LYS 7 -16.325 5.803 8.629
295 2HZ LYS 7 2HZ LYS 7 -17.426 4.518 8.637
296 3HZ LYS 7 3HZ LYS 7 -16.404 4.762 9.961
297 H ARG 8 H ARG 8 -12.232 0.603 5.122
298 HA ARG 8 HA ARG 8 -9.885 -0.220 6.392
299 1HB ARG 8 1HB ARG 8 -10.459 -2.360 5.782
300 2HB ARG 8 2HB ARG 8 -12.008 -1.554 5.608
301 1HG ARG 8 1HG ARG 8 -12.085 -2.461 3.580
302 2HG ARG 8 2HG ARG 8 -10.882 -1.259 3.114
303 1HD ARG 8 1HD ARG 8 -9.483 -2.919 2.642
304 2HD ARG 8 2HD ARG 8 -9.455 -3.331 4.354
305 HE ARG 8 HE ARG 8 -11.037 -4.625 2.266
306 1HH1 ARG 8 1HH1 ARG 8 -10.184 -4.405 5.651
307 2HH1 ARG 8 2HH1 ARG 8 -10.796 -5.979 6.030
308 1HH2 ARG 8 1HH2 ARG 8 -11.843 -6.689 2.775
309 2HH2 ARG 8 2HH2 ARG 8 -11.736 -7.273 4.403
310 H VAL 9 H VAL 9 -10.405 1.003 3.201
311 HA VAL 9 HA VAL 9 -8.113 -0.059 1.935
312 HB VAL 9 HB VAL 9 -9.567 2.519 1.324
313 1HG1 VAL 9 1HG1 VAL 9 -7.255 2.241 0.345
314 2HG1 VAL 9 2HG1 VAL 9 -7.894 0.861 -0.549
315 3HG1 VAL 9 3HG1 VAL 9 -8.559 2.472 -0.818
316 1HG2 VAL 9 1HG2 VAL 9 -10.683 0.073 1.291
317 2HG2 VAL 9 2HG2 VAL 9 -11.124 1.359 0.168
318 3HG2 VAL 9 3HG2 VAL 9 -9.982 0.110 -0.327
319 H GLN 10 H GLN 10 -8.685 2.995 3.657
320 HA GLN 10 HA GLN 10 -6.265 4.247 3.187
321 1HB GLN 10 1HB GLN 10 -6.713 5.610 5.079
322 2HB GLN 10 2HB GLN 10 -8.274 5.197 4.385
323 1HG GLN 10 1HG GLN 10 -8.918 4.518 6.385
324 2HG GLN 10 2HG GLN 10 -7.750 3.204 6.268
325 1HE2 GLN 10 2HE2 GLN 10 -7.583 3.323 8.565
326 2HE2 GLN 10 1HE2 GLN 10 -6.592 4.528 9.307
327 H ALA 11 H ALA 11 -6.944 1.505 5.190
328 HA ALA 11 HA ALA 11 -4.582 1.684 6.794
329 1HB ALA 11 1HB ALA 11 -6.471 -0.608 6.292
330 2HB ALA 11 2HB ALA 11 -5.165 -0.622 7.476
331 3HB ALA 11 3HB ALA 11 -6.501 0.516 7.650
332 H LEU 12 H LEU 12 -4.978 0.975 3.560
333 HA LEU 12 HA LEU 12 -2.682 -0.862 3.533
334 1HB LEU 12 1HB LEU 12 -4.238 -0.318 1.061
335 2HB LEU 12 2HB LEU 12 -3.441 -1.788 1.577
336 HG LEU 12 HG LEU 12 -5.914 -0.839 2.985
337 1HD1 LEU 12 1HD1 LEU 12 -6.134 -1.032 0.398
338 2HD1 LEU 12 2HD1 LEU 12 -6.076 -2.766 0.714
339 3HD1 LEU 12 3HD1 LEU 12 -7.341 -1.778 1.444
340 1HD2 LEU 12 1HD2 LEU 12 -4.348 -3.359 2.750
341 2HD2 LEU 12 2HD2 LEU 12 -5.066 -2.603 4.172
342 3HD2 LEU 12 3HD2 LEU 12 -6.087 -3.464 3.021
343 H LYS 13 H LYS 13 -4.003 1.991 1.881
344 HA LYS 13 HA LYS 13 -1.544 2.514 0.499
345 1HB LYS 13 1HB LYS 13 -2.712 4.670 -0.137
346 2HB LYS 13 2HB LYS 13 -3.493 3.183 -0.651
347 1HG LYS 13 1HG LYS 13 -5.159 4.701 0.139
348 2HG LYS 13 2HG LYS 13 -5.025 3.375 1.292
349 1HD LYS 13 1HD LYS 13 -4.210 4.708 2.931
350 2HD LYS 13 2HD LYS 13 -3.311 5.723 1.802
351 1HE LYS 13 1HE LYS 13 -6.070 6.106 1.288
352 2HE LYS 13 2HE LYS 13 -5.834 6.215 3.033
353 1HZ LYS 13 1HZ LYS 13 -3.799 7.688 2.180
354 2HZ LYS 13 2HZ LYS 13 -4.892 7.975 0.922
355 3HZ LYS 13 3HZ LYS 13 -5.327 8.331 2.517
356 H ALA 14 H ALA 14 -2.792 3.309 3.591
357 HA ALA 14 HA ALA 14 -1.610 5.780 4.092
358 1HB ALA 14 1HB ALA 14 -2.337 3.475 5.860
359 2HB ALA 14 2HB ALA 14 -1.537 4.902 6.517
360 3HB ALA 14 3HB ALA 14 -3.102 5.058 5.719
361 H ARG 15 H ARG 15 -0.278 2.521 4.605
362 HA ARG 15 HA ARG 15 2.316 3.639 5.290
363 1HB ARG 15 1HB ARG 15 1.122 1.521 6.300
364 2HB ARG 15 2HB ARG 15 1.840 0.710 4.915
365 1HG ARG 15 1HG ARG 15 3.558 0.398 6.322
366 2HG ARG 15 2HG ARG 15 3.987 2.041 5.843
367 1HD ARG 15 1HD ARG 15 3.887 2.600 7.994
368 2HD ARG 15 2HD ARG 15 2.143 2.360 7.905
369 HE ARG 15 HE ARG 15 3.180 -0.136 8.348
370 1HH1 ARG 15 1HH1 ARG 15 3.330 2.942 9.987
371 2HH1 ARG 15 2HH1 ARG 15 3.502 2.237 11.559
372 1HH2 ARG 15 1HH2 ARG 15 3.406 -1.065 10.416
373 2HH2 ARG 15 2HH2 ARG 15 3.547 -0.037 11.803
374 H ASN 16 H ASN 16 0.797 1.811 2.687
375 HA ASN 16 HA ASN 16 3.053 1.162 1.194
376 1HB ASN 16 1HB ASN 16 0.868 0.239 0.680
377 2HB ASN 16 2HB ASN 16 0.258 1.831 0.252
378 1HD2 ASN 16 2HD2 ASN 16 -0.184 0.146 -1.616
379 2HD2 ASN 16 1HD2 ASN 16 0.947 0.238 -2.918
380 H TYR 17 H TYR 17 1.118 4.131 1.192
381 HA TYR 17 HA TYR 17 2.198 5.429 -0.987
382 1HB TYR 17 1HB TYR 17 0.327 6.352 0.262
383 2HB TYR 17 2HB TYR 17 1.357 6.616 1.665
384 HD1 TYR 17 HD1 TYR 17 0.458 7.815 -1.676
385 HD2 TYR 17 HD2 TYR 17 2.948 8.454 1.715
386 HE1 TYR 17 HE1 TYR 17 1.004 10.063 -2.507
387 HE2 TYR 17 HE2 TYR 17 3.499 10.705 0.893
388 HH TYR 17 HH TYR 17 3.470 11.773 -1.706
389 H ALA 18 H ALA 18 3.536 5.092 2.254
390 HA ALA 18 HA ALA 18 5.719 6.883 1.806
391 1HB ALA 18 1HB ALA 18 4.940 4.976 3.953
392 2HB ALA 18 2HB ALA 18 6.613 5.531 3.887
393 3HB ALA 18 3HB ALA 18 5.302 6.700 4.048
394 H LEU 19 H LEU 19 5.409 3.334 1.849
395 HA LEU 19 HA LEU 19 8.121 2.823 1.253
396 1HB LEU 19 1HB LEU 19 6.056 0.930 0.268
397 2HB LEU 19 2HB LEU 19 7.562 0.608 1.097
398 HG LEU 19 HG LEU 19 4.957 1.483 2.325
399 1HD1 LEU 19 1HD1 LEU 19 6.457 -1.035 2.098
400 2HD1 LEU 19 2HD1 LEU 19 5.800 -0.679 3.695
401 3HD1 LEU 19 3HD1 LEU 19 4.728 -0.753 2.297
402 1HD2 LEU 19 1HD2 LEU 19 7.732 1.668 3.345
403 2HD2 LEU 19 2HD2 LEU 19 6.318 2.654 3.715
404 3HD2 LEU 19 3HD2 LEU 19 6.502 1.065 4.457
405 H LYS 20 H LYS 20 5.241 2.823 -0.846
406 HA LYS 20 HA LYS 20 6.345 2.278 -3.275
407 1HB LYS 20 1HB LYS 20 3.916 3.191 -2.419
408 2HB LYS 20 2HB LYS 20 4.490 4.558 -3.363
409 1HG LYS 20 1HG LYS 20 4.594 3.305 -5.333
410 2HG LYS 20 2HG LYS 20 4.530 1.770 -4.463
411 1HD LYS 20 1HD LYS 20 2.241 2.053 -3.942
412 2HD LYS 20 2HD LYS 20 2.266 3.750 -4.424
413 1HE LYS 20 1HE LYS 20 2.838 2.927 -6.755
414 2HE LYS 20 2HE LYS 20 2.422 1.314 -6.181
415 1HZ LYS 20 1HZ LYS 20 0.589 3.648 -6.101
416 2HZ LYS 20 2HZ LYS 20 0.571 2.456 -7.301
417 3HZ LYS 20 3HZ LYS 20 0.206 2.050 -5.700
418 H GLN 21 H GLN 21 6.769 5.175 -1.401
419 HA GLN 21 HA GLN 21 7.925 6.646 -3.610
420 1HB GLN 21 1HB GLN 21 6.562 7.874 -2.048
421 2HB GLN 21 2HB GLN 21 7.552 7.339 -0.698
422 1HG GLN 21 1HG GLN 21 8.777 9.164 -0.926
423 2HG GLN 21 2HG GLN 21 9.301 8.585 -2.507
424 1HE2 GLN 21 2HE2 GLN 21 7.686 10.998 -0.844
425 2HE2 GLN 21 1HE2 GLN 21 6.954 11.798 -2.189
426 H LYS 22 H LYS 22 9.050 5.190 -0.563
427 HA LYS 22 HA LYS 22 11.797 5.917 -1.184
428 1HB LYS 22 1HB LYS 22 12.304 4.861 1.015
429 2HB LYS 22 2HB LYS 22 11.142 6.178 1.104
430 1HG LYS 22 1HG LYS 22 9.693 4.850 2.113
431 2HG LYS 22 2HG LYS 22 9.707 3.760 0.726
432 1HD LYS 22 1HD LYS 22 10.295 2.582 2.787
433 2HD LYS 22 2HD LYS 22 11.645 2.596 1.651
434 1HE LYS 22 1HE LYS 22 12.946 3.770 3.045
435 2HE LYS 22 2HE LYS 22 11.642 4.876 3.470
436 1HZ LYS 22 1HZ LYS 22 11.435 2.185 4.548
437 2HZ LYS 22 2HZ LYS 22 12.691 3.135 5.172
438 3HZ LYS 22 3HZ LYS 22 11.090 3.673 5.275
439 H VAL 23 H VAL 23 9.787 3.037 -1.119
440 HA VAL 23 HA VAL 23 11.454 0.941 -1.072
441 HB VAL 23 HB VAL 23 9.191 1.376 -3.019
442 1HG1 VAL 23 1HG1 VAL 23 11.110 -0.819 -2.844
443 2HG1 VAL 23 2HG1 VAL 23 9.430 -1.343 -2.719
444 3HG1 VAL 23 3HG1 VAL 23 9.961 -0.416 -4.120
445 1HG2 VAL 23 1HG2 VAL 23 9.099 1.130 -0.329
446 2HG2 VAL 23 2HG2 VAL 23 7.810 0.608 -1.413
447 3HG2 VAL 23 3HG2 VAL 23 8.985 -0.562 -0.815
448 H GLN 24 H GLN 24 10.693 2.517 -4.192
449 HA GLN 24 HA GLN 24 12.629 1.223 -5.701
450 1HB GLN 24 1HB GLN 24 12.428 3.151 -7.272
451 2HB GLN 24 2HB GLN 24 10.885 2.459 -6.787
452 1HG GLN 24 1HG GLN 24 10.894 4.320 -4.989
453 2HG GLN 24 2HG GLN 24 12.107 5.076 -6.024
454 1HE2 GLN 24 2HE2 GLN 24 8.958 5.115 -5.315
455 2HE2 GLN 24 1HE2 GLN 24 8.297 5.617 -6.831
456 H ALA 25 H ALA 25 12.935 3.938 -3.541
457 HA ALA 25 HA ALA 25 15.482 4.817 -4.470
458 1HB ALA 25 1HB ALA 25 13.632 5.946 -2.904
459 2HB ALA 25 2HB ALA 25 14.721 5.332 -1.660
460 3HB ALA 25 3HB ALA 25 15.325 6.437 -2.895
461 H LEU 26 H LEU 26 14.393 2.598 -1.951
462 HA LEU 26 HA LEU 26 16.935 2.182 -0.769
463 1HB LEU 26 1HB LEU 26 14.661 0.207 -0.809
464 2HB LEU 26 2HB LEU 26 15.931 0.353 0.390
465 HG LEU 26 HG LEU 26 13.725 2.358 -0.078
466 1HD1 LEU 26 1HD1 LEU 26 14.043 0.049 1.743
467 2HD1 LEU 26 2HD1 LEU 26 13.347 1.521 2.420
468 3HD1 LEU 26 3HD1 LEU 26 12.587 0.744 1.031
469 1HD2 LEU 26 1HD2 LEU 26 16.214 2.858 0.944
470 2HD2 LEU 26 2HD2 LEU 26 14.757 3.782 1.305
471 3HD2 LEU 26 3HD2 LEU 26 15.277 2.496 2.394
472 H ARG 27 H ARG 27 15.171 0.545 -3.351
473 HA ARG 27 HA ARG 27 17.218 -1.463 -3.676
474 1HB ARG 27 1HB ARG 27 15.851 -2.236 -5.572
475 2HB ARG 27 2HB ARG 27 14.905 -2.066 -4.101
476 1HG ARG 27 1HG ARG 27 14.438 0.333 -5.137
477 2HG ARG 27 2HG ARG 27 14.776 -0.539 -6.633
478 1HD ARG 27 1HD ARG 27 13.112 -2.256 -5.268
479 2HD ARG 27 2HD ARG 27 12.459 -0.668 -4.868
480 HE ARG 27 HE ARG 27 12.932 -0.798 -7.634
481 1HH1 ARG 27 1HH1 ARG 27 10.801 -2.137 -5.215
482 2HH1 ARG 27 2HH1 ARG 27 9.487 -2.366 -6.320
483 1HH2 ARG 27 1HH2 ARG 27 11.205 -1.100 -9.089
484 2HH2 ARG 27 2HH2 ARG 27 9.716 -1.778 -8.519
485 H HIS 28 H HIS 28 17.178 1.713 -4.444
486 HA HIS 28 HA HIS 28 18.342 1.466 -7.099
487 1HB HIS 28 1HB HIS 28 16.842 3.437 -5.877
488 2HB HIS 28 2HB HIS 28 18.469 4.105 -5.840
489 HD1 HIS 28 HD1 HIS 28 15.653 4.378 -7.853
490 HD2 HIS 28 HD2 HIS 28 19.634 3.521 -8.677
491 HE1 HIS 28 HE1 HIS 28 16.005 4.924 -10.297
492 H LYS 29 H LYS 29 19.301 2.191 -3.799
493 HA LYS 29 HA LYS 29 21.986 2.927 -4.487
494 1HB LYS 29 1HB LYS 29 20.899 3.792 -2.463
495 2HB LYS 29 2HB LYS 29 20.789 2.159 -1.818
496 1HG LYS 29 1HG LYS 29 22.897 2.183 -1.090
497 2HG LYS 29 2HG LYS 29 23.499 2.915 -2.579
498 1HD LYS 29 1HD LYS 29 22.850 5.108 -1.821
499 2HD LYS 29 2HD LYS 29 22.066 4.424 -0.396
500 1HE LYS 29 1HE LYS 29 24.209 5.326 0.235
501 2HE LYS 29 2HE LYS 29 24.262 3.568 0.353
502 1HZ LYS 29 1HZ LYS 29 25.292 3.587 -1.909
503 2HZ LYS 29 2HZ LYS 29 25.427 5.268 -1.778
504 3HZ LYS 29 3HZ LYS 29 26.250 4.265 -0.691
505 H GLY 30 H GLY 30 20.453 0.044 -3.083
506 1HA GLY 30 1HA GLY 30 22.989 -1.401 -3.267
507 2HA GLY 30 2HA GLY 30 21.528 -1.969 -2.474
508 1HN NH2 31 1HN NH2 31 21.993 -0.738 -5.756
509 2HN NH2 31 2HN NH2 31 21.465 -2.173 -6.560
Start of MODEL 15
1 1H ACE 0 1H ACE 0 -23.313 1.561 0.304
2 2H ACE 0 2H ACE 0 -24.814 0.662 0.524
3 3H ACE 0 3H ACE 0 -24.491 1.477 -1.006
4 H GLU 1 H GLU 1 -22.981 0.580 -2.454
5 HA GLU 1 HA GLU 1 -22.901 -2.222 -2.571
6 1HB GLU 1 1HB GLU 1 -21.372 -0.081 -4.038
7 2HB GLU 1 2HB GLU 1 -21.127 -1.790 -4.369
8 1HG GLU 1 1HG GLU 1 -23.899 -1.381 -4.434
9 2HG GLU 1 2HG GLU 1 -23.180 -0.030 -5.310
10 H VAL 2 H VAL 2 -21.758 -3.567 -1.360
11 HA VAL 2 HA VAL 2 -19.430 -2.658 0.091
12 HB VAL 2 HB VAL 2 -20.580 -5.449 -0.016
13 1HG1 VAL 2 1HG1 VAL 2 -18.194 -4.692 0.983
14 2HG1 VAL 2 2HG1 VAL 2 -19.221 -4.425 2.391
15 3HG1 VAL 2 3HG1 VAL 2 -19.154 -6.018 1.638
16 1HG2 VAL 2 1HG2 VAL 2 -21.271 -3.113 1.755
17 2HG2 VAL 2 2HG2 VAL 2 -22.348 -4.044 0.712
18 3HG2 VAL 2 3HG2 VAL 2 -21.664 -4.785 2.159
19 H ALA 3 H ALA 3 -20.113 -5.198 -2.317
20 HA ALA 3 HA ALA 3 -17.512 -6.140 -2.625
21 1HB ALA 3 1HB ALA 3 -19.728 -7.054 -3.574
22 2HB ALA 3 2HB ALA 3 -19.405 -5.988 -4.942
23 3HB ALA 3 3HB ALA 3 -18.255 -7.258 -4.524
24 H GLN 4 H GLN 4 -19.129 -3.388 -4.107
25 HA GLN 4 HA GLN 4 -17.247 -2.786 -6.085
26 1HB GLN 4 1HB GLN 4 -19.246 -1.150 -4.561
27 2HB GLN 4 2HB GLN 4 -18.123 -0.364 -5.663
28 1HG GLN 4 1HG GLN 4 -19.895 -2.638 -6.500
29 2HG GLN 4 2HG GLN 4 -20.393 -0.950 -6.590
30 1HE2 GLN 4 2HE2 GLN 4 -20.492 -0.711 -8.753
31 2HE2 GLN 4 1HE2 GLN 4 -19.142 -0.878 -9.818
32 H LEU 5 H LEU 5 -17.496 -1.586 -2.746
33 HA LEU 5 HA LEU 5 -15.065 -0.088 -2.906
34 1HB LEU 5 1HB LEU 5 -16.883 -0.892 -0.652
35 2HB LEU 5 2HB LEU 5 -15.360 -0.081 -0.344
36 HG LEU 5 HG LEU 5 -17.369 1.120 -2.220
37 1HD1 LEU 5 1HD1 LEU 5 -17.543 0.875 0.709
38 2HD1 LEU 5 2HD1 LEU 5 -17.809 2.489 0.053
39 3HD1 LEU 5 3HD1 LEU 5 -18.810 1.142 -0.489
40 1HD2 LEU 5 1HD2 LEU 5 -15.135 2.201 -0.512
41 2HD2 LEU 5 2HD2 LEU 5 -15.196 2.117 -2.273
42 3HD2 LEU 5 3HD2 LEU 5 -16.277 3.207 -1.404
43 H GLU 6 H GLU 6 -15.918 -3.344 -2.058
44 HA GLU 6 HA GLU 6 -13.775 -4.128 -0.485
45 1HB GLU 6 1HB GLU 6 -15.651 -5.483 -2.328
46 2HB GLU 6 2HB GLU 6 -14.175 -6.359 -1.961
47 1HG GLU 6 1HG GLU 6 -14.677 -6.100 0.451
48 2HG GLU 6 2HG GLU 6 -16.210 -5.350 0.012
49 H LYS 7 H LYS 7 -14.027 -3.985 -4.011
50 HA LYS 7 HA LYS 7 -11.500 -5.079 -4.573
51 1HB LYS 7 1HB LYS 7 -12.787 -3.015 -6.332
52 2HB LYS 7 2HB LYS 7 -11.837 -4.417 -6.796
53 1HG LYS 7 1HG LYS 7 -14.661 -4.386 -5.765
54 2HG LYS 7 2HG LYS 7 -14.109 -4.826 -7.379
55 1HD LYS 7 1HD LYS 7 -12.907 -6.364 -5.173
56 2HD LYS 7 2HD LYS 7 -14.638 -6.608 -5.411
57 1HE LYS 7 1HE LYS 7 -14.282 -7.848 -7.223
58 2HE LYS 7 2HE LYS 7 -13.247 -6.611 -7.936
59 1HZ LYS 7 1HZ LYS 7 -12.069 -8.167 -5.784
60 2HZ LYS 7 2HZ LYS 7 -12.377 -9.014 -7.215
61 3HZ LYS 7 3HZ LYS 7 -11.388 -7.641 -7.240
62 H GLU 8 H GLU 8 -12.517 -1.885 -3.641
63 HA GLU 8 HA GLU 8 -10.308 -0.397 -4.478
64 1HB GLU 8 1HB GLU 8 -12.476 0.465 -3.488
65 2HB GLU 8 2HB GLU 8 -11.814 0.072 -1.908
66 1HG GLU 8 1HG GLU 8 -10.106 1.672 -2.109
67 2HG GLU 8 2HG GLU 8 -10.384 1.865 -3.839
68 H VAL 9 H VAL 9 -10.694 -2.651 -1.869
69 HA VAL 9 HA VAL 9 -8.250 -1.844 -0.532
70 HB VAL 9 HB VAL 9 -10.071 -4.210 -0.042
71 1HG1 VAL 9 1HG1 VAL 9 -7.730 -3.191 1.565
72 2HG1 VAL 9 2HG1 VAL 9 -8.862 -4.434 2.096
73 3HG1 VAL 9 3HG1 VAL 9 -7.825 -4.725 0.700
74 1HG2 VAL 9 1HG2 VAL 9 -10.109 -1.418 0.813
75 2HG2 VAL 9 2HG2 VAL 9 -11.389 -2.631 0.841
76 3HG2 VAL 9 3HG2 VAL 9 -10.207 -2.567 2.147
77 H ALA 10 H ALA 10 -9.434 -4.648 -2.371
78 HA ALA 10 HA ALA 10 -7.064 -6.134 -2.363
79 1HB ALA 10 1HB ALA 10 -9.510 -6.075 -4.039
80 2HB ALA 10 2HB ALA 10 -8.100 -6.914 -4.686
81 3HB ALA 10 3HB ALA 10 -8.786 -7.406 -3.137
82 H GLN 11 H GLN 11 -8.029 -3.343 -4.181
83 HA GLN 11 HA GLN 11 -6.286 -3.495 -6.358
84 1HB GLN 11 1HB GLN 11 -8.098 -1.857 -6.221
85 2HB GLN 11 2HB GLN 11 -7.296 -1.059 -4.876
86 1HG GLN 11 1HG GLN 11 -6.504 0.308 -6.454
87 2HG GLN 11 2HG GLN 11 -5.345 -0.987 -6.754
88 1HE2 GLN 11 2HE2 GLN 11 -7.778 0.932 -8.062
89 2HE2 GLN 11 1HE2 GLN 11 -7.971 0.106 -9.566
90 H LEU 12 H LEU 12 -5.833 -1.530 -3.408
91 HA LEU 12 HA LEU 12 -3.086 -1.060 -3.908
92 1HB LEU 12 1HB LEU 12 -4.614 -0.876 -1.311
93 2HB LEU 12 2HB LEU 12 -3.017 -0.214 -1.602
94 HG LEU 12 HG LEU 12 -5.450 0.646 -3.160
95 1HD1 LEU 12 1HD1 LEU 12 -5.776 1.120 -0.779
96 2HD1 LEU 12 2HD1 LEU 12 -4.223 1.949 -0.739
97 3HD1 LEU 12 3HD1 LEU 12 -5.540 2.595 -1.715
98 1HD2 LEU 12 1HD2 LEU 12 -2.605 1.533 -2.964
99 2HD2 LEU 12 2HD2 LEU 12 -3.610 1.295 -4.392
100 3HD2 LEU 12 3HD2 LEU 12 -3.862 2.703 -3.361
101 H GLU 13 H GLU 13 -4.820 -3.433 -1.943
102 HA GLU 13 HA GLU 13 -2.773 -4.543 -0.489
103 1HB GLU 13 1HB GLU 13 -5.301 -5.594 -1.638
104 2HB GLU 13 2HB GLU 13 -4.133 -6.779 -1.071
105 1HG GLU 13 1HG GLU 13 -4.118 -5.704 1.127
106 2HG GLU 13 2HG GLU 13 -5.308 -4.536 0.555
107 H ALA 14 H ALA 14 -3.359 -4.775 -3.906
108 HA ALA 14 HA ALA 14 -1.462 -6.925 -4.303
109 1HB ALA 14 1HB ALA 14 -3.432 -6.768 -5.739
110 2HB ALA 14 2HB ALA 14 -2.894 -5.189 -6.313
111 3HB ALA 14 3HB ALA 14 -1.946 -6.630 -6.681
112 H GLU 15 H GLU 15 -1.642 -3.435 -4.859
113 HA GLU 15 HA GLU 15 0.990 -3.274 -5.995
114 1HB GLU 15 1HB GLU 15 -0.975 -1.676 -6.402
115 2HB GLU 15 2HB GLU 15 -0.576 -0.973 -4.840
116 1HG GLU 15 1HG GLU 15 1.622 -0.372 -5.623
117 2HG GLU 15 2HG GLU 15 1.328 -1.183 -7.161
118 H ASN 16 H ASN 16 -0.428 -2.066 -2.949
119 HA ASN 16 HA ASN 16 1.854 -1.176 -1.706
120 1HB ASN 16 1HB ASN 16 -0.441 -0.909 -0.819
121 2HB ASN 16 2HB ASN 16 -0.458 -2.611 -0.378
122 1HD2 ASN 16 2HD2 ASN 16 -0.973 -1.190 1.652
123 2HD2 ASN 16 1HD2 ASN 16 0.378 -0.916 2.691
124 H TYR 17 H TYR 17 0.825 -4.453 -2.245
125 HA TYR 17 HA TYR 17 2.602 -5.659 -0.356
126 1HB TYR 17 1HB TYR 17 0.757 -6.996 -0.910
127 2HB TYR 17 2HB TYR 17 0.920 -6.676 -2.632
128 HD1 TYR 17 HD1 TYR 17 2.482 -8.488 0.209
129 HD2 TYR 17 HD2 TYR 17 2.131 -8.140 -4.017
130 HE1 TYR 17 HE1 TYR 17 3.714 -10.599 -0.061
131 HE2 TYR 17 HE2 TYR 17 3.360 -10.250 -4.299
132 HH TYR 17 HH TYR 17 4.884 -11.668 -3.112
133 H GLN 18 H GLN 18 2.777 -4.735 -3.730
134 HA GLN 18 HA GLN 18 5.087 -6.175 -4.439
135 1HB GLN 18 1HB GLN 18 3.371 -4.777 -5.874
136 2HB GLN 18 2HB GLN 18 4.538 -3.486 -5.623
137 1HG GLN 18 1HG GLN 18 6.244 -5.304 -6.440
138 2HG GLN 18 2HG GLN 18 4.802 -6.009 -7.171
139 1HE2 GLN 18 2HE2 GLN 18 3.409 -4.284 -8.319
140 2HE2 GLN 18 1HE2 GLN 18 4.276 -3.217 -9.366
141 H LEU 19 H LEU 19 4.635 -3.202 -2.682
142 HA LEU 19 HA LEU 19 7.470 -2.544 -2.821
143 1HB LEU 19 1HB LEU 19 5.411 -1.100 -1.188
144 2HB LEU 19 2HB LEU 19 6.924 -0.485 -1.819
145 HG LEU 19 HG LEU 19 4.465 -1.142 -3.439
146 1HD1 LEU 19 1HD1 LEU 19 4.458 0.926 -1.978
147 2HD1 LEU 19 2HD1 LEU 19 5.757 1.533 -3.004
148 3HD1 LEU 19 3HD1 LEU 19 4.177 1.179 -3.699
149 1HD2 LEU 19 1HD2 LEU 19 6.990 -1.356 -4.350
150 2HD2 LEU 19 2HD2 LEU 19 5.631 -0.832 -5.346
151 3HD2 LEU 19 3HD2 LEU 19 6.707 0.363 -4.621
152 H GLU 20 H GLU 20 5.037 -3.047 -0.260
153 HA GLU 20 HA GLU 20 6.647 -3.058 1.946
154 1HB GLU 20 1HB GLU 20 4.026 -3.694 1.449
155 2HB GLU 20 2HB GLU 20 4.678 -5.233 1.993
156 1HG GLU 20 1HG GLU 20 5.307 -4.347 4.079
157 2HG GLU 20 2HG GLU 20 5.086 -2.687 3.526
158 H GLN 21 H GLN 21 6.348 -5.560 -0.478
159 HA GLN 21 HA GLN 21 7.689 -7.596 0.983
160 1HB GLN 21 1HB GLN 21 7.903 -8.690 -1.234
161 2HB GLN 21 2HB GLN 21 6.260 -8.195 -0.864
162 1HG GLN 21 1HG GLN 21 6.263 -7.306 -2.904
163 2HG GLN 21 2HG GLN 21 7.230 -6.016 -2.191
164 1HE2 GLN 21 2HE2 GLN 21 7.234 -6.924 -4.916
165 2HE2 GLN 21 1HE2 GLN 21 8.835 -7.472 -5.264
166 H GLU 22 H GLU 22 8.698 -5.045 -1.212
167 HA GLU 22 HA GLU 22 11.463 -5.952 -1.183
168 1HB GLU 22 1HB GLU 22 10.179 -4.846 -3.169
169 2HB GLU 22 2HB GLU 22 10.552 -3.339 -2.343
170 1HG GLU 22 1HG GLU 22 12.266 -3.604 -3.899
171 2HG GLU 22 2HG GLU 22 12.975 -4.112 -2.367
172 H VAL 23 H VAL 23 9.413 -3.632 0.375
173 HA VAL 23 HA VAL 23 11.566 -2.048 1.457
174 HB VAL 23 HB VAL 23 8.709 -2.076 2.418
175 1HG1 VAL 23 1HG1 VAL 23 10.924 -0.733 3.342
176 2HG1 VAL 23 2HG1 VAL 23 10.135 0.457 2.307
177 3HG1 VAL 23 3HG1 VAL 23 9.244 -0.285 3.635
178 1HG2 VAL 23 1HG2 VAL 23 9.582 -1.458 -0.196
179 2HG2 VAL 23 2HG2 VAL 23 7.986 -1.199 0.509
180 3HG2 VAL 23 3HG2 VAL 23 9.206 0.071 0.598
181 H ALA 24 H ALA 24 9.171 -4.334 2.767
182 HA ALA 24 HA ALA 24 10.132 -4.376 5.400
183 1HB ALA 24 1HB ALA 24 7.934 -5.282 4.617
184 2HB ALA 24 2HB ALA 24 8.803 -6.673 3.969
185 3HB ALA 24 3HB ALA 24 8.819 -6.353 5.703
186 H GLN 25 H GLN 25 10.995 -6.282 2.559
187 HA GLN 25 HA GLN 25 12.762 -8.046 3.927
188 1HB GLN 25 1HB GLN 25 12.269 -7.366 1.047
189 2HB GLN 25 2HB GLN 25 13.656 -8.350 1.492
190 1HG GLN 25 1HG GLN 25 12.050 -9.881 2.675
191 2HG GLN 25 2HG GLN 25 10.747 -8.965 1.919
192 1HE2 GLN 25 2HE2 GLN 25 10.013 -9.763 0.094
193 2HE2 GLN 25 1HE2 GLN 25 10.883 -10.773 -1.005
194 H LEU 26 H LEU 26 13.211 -5.070 2.050
195 HA LEU 26 HA LEU 26 15.983 -4.967 2.018
196 1HB LEU 26 1HB LEU 26 13.807 -2.951 1.890
197 2HB LEU 26 2HB LEU 26 15.423 -2.357 2.216
198 HG LEU 26 HG LEU 26 14.704 -4.073 -0.164
199 1HD1 LEU 26 1HD1 LEU 26 13.797 -1.560 0.174
200 2HD1 LEU 26 2HD1 LEU 26 15.374 -1.232 -0.541
201 3HD1 LEU 26 3HD1 LEU 26 14.215 -2.252 -1.393
202 1HD2 LEU 26 1HD2 LEU 26 17.065 -4.126 0.607
203 2HD2 LEU 26 2HD2 LEU 26 16.864 -3.451 -1.008
204 3HD2 LEU 26 3HD2 LEU 26 17.141 -2.382 0.367
205 H GLU 27 H GLU 27 13.981 -3.018 4.204
206 HA GLU 27 HA GLU 27 16.189 -2.894 6.089
207 1HB GLU 27 1HB GLU 27 13.590 -1.592 6.705
208 2HB GLU 27 2HB GLU 27 15.228 -1.010 6.942
209 1HG GLU 27 1HG GLU 27 13.945 -1.194 4.238
210 2HG GLU 27 2HG GLU 27 13.855 0.237 5.260
211 H HIS 28 H HIS 28 15.457 -5.419 6.058
212 HA HIS 28 HA HIS 28 13.448 -5.926 8.098
213 1HB HIS 28 1HB HIS 28 13.767 -7.323 5.971
214 2HB HIS 28 2HB HIS 28 15.188 -7.991 6.765
215 HD1 HIS 28 HD1 HIS 28 11.567 -8.422 6.523
216 HD2 HIS 28 HD2 HIS 28 14.562 -9.356 9.247
217 HE1 HIS 28 HE1 HIS 28 10.601 -10.178 8.066
218 H GLU 29 H GLU 29 16.684 -5.162 8.097
219 HA GLU 29 HA GLU 29 17.967 -6.879 9.797
220 1HB GLU 29 1HB GLU 29 18.866 -4.764 8.705
221 2HB GLU 29 2HB GLU 29 18.179 -3.884 10.063
222 1HG GLU 29 1HG GLU 29 19.938 -6.175 10.695
223 2HG GLU 29 2HG GLU 29 20.696 -4.736 10.014
224 H GLY 30 H GLY 30 15.572 -4.435 10.625
225 1HA GLY 30 1HA GLY 30 14.357 -4.099 12.543
226 2HA GLY 30 2HA GLY 30 14.794 -5.739 12.996
227 1HN NH2 31 1HN NH2 31 14.894 -2.683 14.035
228 2HN NH2 31 2HN NH2 31 16.304 -2.731 15.033
229 1H ACE 0 1H ACE 0 -15.035 -5.762 6.306
230 2H ACE 0 2H ACE 0 -16.426 -6.344 7.220
231 3H ACE 0 3H ACE 0 -15.747 -4.754 7.566
232 H GLU 1 H GLU 1 -17.698 -3.669 7.157
233 HA GLU 1 HA GLU 1 -18.915 -3.925 4.530
234 1HB GLU 1 1HB GLU 1 -20.533 -2.201 5.487
235 2HB GLU 1 2HB GLU 1 -20.519 -3.782 6.254
236 1HG GLU 1 1HG GLU 1 -19.275 -2.957 8.106
237 2HG GLU 1 2HG GLU 1 -18.990 -1.417 7.298
238 H VAL 2 H VAL 2 -19.829 -1.475 3.941
239 HA VAL 2 HA VAL 2 -17.954 -0.254 2.453
240 HB VAL 2 HB VAL 2 -19.308 1.963 3.050
241 1HG1 VAL 2 1HG1 VAL 2 -19.416 -0.008 1.095
242 2HG1 VAL 2 2HG1 VAL 2 -21.090 0.200 1.609
243 3HG1 VAL 2 3HG1 VAL 2 -20.167 1.587 1.033
244 1HG2 VAL 2 1HG2 VAL 2 -20.416 0.331 4.906
245 2HG2 VAL 2 2HG2 VAL 2 -21.229 1.728 4.204
246 3HG2 VAL 2 3HG2 VAL 2 -21.539 0.114 3.564
247 H GLN 3 H GLN 3 -18.936 1.603 5.273
248 HA GLN 3 HA GLN 3 -16.631 3.114 5.455
249 1HB GLN 3 1HB GLN 3 -18.852 3.508 6.616
250 2HB GLN 3 2HB GLN 3 -18.323 2.353 7.832
251 1HG GLN 3 1HG GLN 3 -16.420 3.763 8.371
252 2HG GLN 3 2HG GLN 3 -16.900 4.908 7.119
253 1HE2 GLN 3 2HE2 GLN 3 -19.288 5.597 7.366
254 2HE2 GLN 3 1HE2 GLN 3 -19.756 6.069 8.960
255 H ALA 4 H ALA 4 -17.209 -0.120 6.551
256 HA ALA 4 HA ALA 4 -15.031 -0.202 8.416
257 1HB ALA 4 1HB ALA 4 -17.204 -1.768 8.030
258 2HB ALA 4 2HB ALA 4 -15.947 -2.752 7.283
259 3HB ALA 4 3HB ALA 4 -15.786 -2.246 8.964
260 H LEU 5 H LEU 5 -15.366 -0.646 5.002
261 HA LEU 5 HA LEU 5 -12.610 -1.689 4.839
262 1HB LEU 5 1HB LEU 5 -15.048 -2.048 3.178
263 2HB LEU 5 2HB LEU 5 -13.513 -2.007 2.341
264 HG LEU 5 HG LEU 5 -13.870 -3.850 4.671
265 1HD1 LEU 5 1HD1 LEU 5 -15.796 -4.062 2.999
266 2HD1 LEU 5 2HD1 LEU 5 -14.580 -4.671 1.875
267 3HD1 LEU 5 3HD1 LEU 5 -14.883 -5.520 3.391
268 1HD2 LEU 5 1HD2 LEU 5 -11.720 -3.293 3.190
269 2HD2 LEU 5 2HD2 LEU 5 -12.021 -4.891 3.872
270 3HD2 LEU 5 3HD2 LEU 5 -12.426 -4.562 2.188
271 H LYS 6 H LYS 6 -14.906 0.559 3.471
272 HA LYS 6 HA LYS 6 -13.460 1.942 1.620
273 1HB LYS 6 1HB LYS 6 -15.770 2.401 1.912
274 2HB LYS 6 2HB LYS 6 -15.549 2.790 3.608
275 1HG LYS 6 1HG LYS 6 -15.213 4.937 3.148
276 2HG LYS 6 2HG LYS 6 -13.986 4.551 1.941
277 1HD LYS 6 1HD LYS 6 -15.580 5.607 0.652
278 2HD LYS 6 2HD LYS 6 -16.047 3.915 0.468
279 1HE LYS 6 1HE LYS 6 -17.264 5.926 2.357
280 2HE LYS 6 2HE LYS 6 -18.004 5.277 0.894
281 1HZ LYS 6 1HZ LYS 6 -17.737 3.028 2.007
282 2HZ LYS 6 2HZ LYS 6 -17.445 3.880 3.440
283 3HZ LYS 6 3HZ LYS 6 -18.924 4.054 2.639
284 H LYS 7 H LYS 7 -13.519 2.500 5.132
285 HA LYS 7 HA LYS 7 -11.611 4.653 4.959
286 1HB LYS 7 1HB LYS 7 -13.278 3.425 7.040
287 2HB LYS 7 2HB LYS 7 -11.709 3.972 7.614
288 1HG LYS 7 1HG LYS 7 -12.592 5.994 7.808
289 2HG LYS 7 2HG LYS 7 -12.638 6.066 6.045
290 1HD LYS 7 1HD LYS 7 -14.871 4.585 7.218
291 2HD LYS 7 2HD LYS 7 -14.808 6.278 7.711
292 1HE LYS 7 1HE LYS 7 -14.307 6.418 5.017
293 2HE LYS 7 2HE LYS 7 -15.468 5.095 5.122
294 1HZ LYS 7 1HZ LYS 7 -16.644 6.848 6.704
295 2HZ LYS 7 2HZ LYS 7 -15.823 7.930 5.697
296 3HZ LYS 7 3HZ LYS 7 -16.909 6.814 5.034
297 H ARG 8 H ARG 8 -11.307 1.332 4.828
298 HA ARG 8 HA ARG 8 -8.809 1.207 6.297
299 1HB ARG 8 1HB ARG 8 -9.009 -1.072 6.252
300 2HB ARG 8 2HB ARG 8 -10.699 -0.620 6.111
301 1HG ARG 8 1HG ARG 8 -10.777 -1.962 4.345
302 2HG ARG 8 2HG ARG 8 -9.844 -0.739 3.484
303 1HD ARG 8 1HD ARG 8 -8.234 -2.252 3.225
304 2HD ARG 8 2HD ARG 8 -7.973 -2.189 4.968
305 HE ARG 8 HE ARG 8 -10.035 -3.995 3.968
306 1HH1 ARG 8 1HH1 ARG 8 -6.809 -3.593 5.250
307 2HH1 ARG 8 2HH1 ARG 8 -6.658 -5.252 5.716
308 1HH2 ARG 8 1HH2 ARG 8 -9.830 -6.172 4.579
309 2HH2 ARG 8 2HH2 ARG 8 -8.370 -6.716 5.334
310 H VAL 9 H VAL 9 -9.917 1.569 3.040
311 HA VAL 9 HA VAL 9 -7.786 0.606 1.560
312 HB VAL 9 HB VAL 9 -9.506 3.036 1.032
313 1HG1 VAL 9 1HG1 VAL 9 -7.398 3.160 -0.236
314 2HG1 VAL 9 2HG1 VAL 9 -7.709 1.554 -0.894
315 3HG1 VAL 9 3HG1 VAL 9 -8.784 2.894 -1.290
316 1HG2 VAL 9 1HG2 VAL 9 -10.524 0.692 1.227
317 2HG2 VAL 9 2HG2 VAL 9 -10.901 1.637 -0.214
318 3HG2 VAL 9 3HG2 VAL 9 -9.697 0.350 -0.292
319 H GLN 10 H GLN 10 -8.169 3.818 3.037
320 HA GLN 10 HA GLN 10 -5.850 5.013 2.103
321 1HB GLN 10 1HB GLN 10 -5.978 6.449 4.120
322 2HB GLN 10 2HB GLN 10 -7.522 6.285 3.297
323 1HG GLN 10 1HG GLN 10 -7.995 4.414 4.985
324 2HG GLN 10 2HG GLN 10 -6.642 5.086 5.892
325 1HE2 GLN 10 2HE2 GLN 10 -6.778 7.480 6.272
326 2HE2 GLN 10 1HE2 GLN 10 -8.327 8.120 6.688
327 H ALA 11 H ALA 11 -6.229 2.511 4.458
328 HA ALA 11 HA ALA 11 -3.713 2.870 5.760
329 1HB ALA 11 1HB ALA 11 -5.939 1.500 6.394
330 2HB ALA 11 2HB ALA 11 -4.934 0.189 5.781
331 3HB ALA 11 3HB ALA 11 -4.361 1.189 7.115
332 H LEU 12 H LEU 12 -4.717 1.364 2.816
333 HA LEU 12 HA LEU 12 -2.321 -0.271 2.635
334 1HB LEU 12 1HB LEU 12 -4.199 0.111 0.345
335 2HB LEU 12 2HB LEU 12 -3.268 -1.303 0.789
336 HG LEU 12 HG LEU 12 -5.503 -0.412 2.569
337 1HD1 LEU 12 1HD1 LEU 12 -6.105 -0.660 0.001
338 2HD1 LEU 12 2HD1 LEU 12 -6.092 -2.372 0.424
339 3HD1 LEU 12 3HD1 LEU 12 -7.167 -1.263 1.274
340 1HD2 LEU 12 1HD2 LEU 12 -3.886 -2.844 2.089
341 2HD2 LEU 12 2HD2 LEU 12 -4.507 -2.171 3.596
342 3HD2 LEU 12 3HD2 LEU 12 -5.578 -3.078 2.529
343 H LYS 13 H LYS 13 -3.709 2.612 1.155
344 HA LYS 13 HA LYS 13 -1.436 2.940 -0.603
345 1HB LYS 13 1HB LYS 13 -2.604 5.065 -1.268
346 2HB LYS 13 2HB LYS 13 -3.498 3.584 -1.566
347 1HG LYS 13 1HG LYS 13 -5.197 4.653 -0.585
348 2HG LYS 13 2HG LYS 13 -4.373 4.270 0.927
349 1HD LYS 13 1HD LYS 13 -4.330 6.466 1.310
350 2HD LYS 13 2HD LYS 13 -3.094 6.552 0.054
351 1HE LYS 13 1HE LYS 13 -5.396 6.531 -1.416
352 2HE LYS 13 2HE LYS 13 -5.887 7.435 0.016
353 1HZ LYS 13 1HZ LYS 13 -3.534 8.568 -0.531
354 2HZ LYS 13 2HZ LYS 13 -4.043 8.170 -2.094
355 3HZ LYS 13 3HZ LYS 13 -5.013 9.148 -1.111
356 H ALA 14 H ALA 14 -2.369 3.976 2.543
357 HA ALA 14 HA ALA 14 -1.074 6.419 2.779
358 1HB ALA 14 1HB ALA 14 -1.699 4.229 4.706
359 2HB ALA 14 2HB ALA 14 -0.662 5.558 5.223
360 3HB ALA 14 3HB ALA 14 -2.297 5.887 4.652
361 H ARG 15 H ARG 15 0.234 3.152 3.185
362 HA ARG 15 HA ARG 15 2.931 4.199 3.488
363 1HB ARG 15 1HB ARG 15 1.569 1.730 4.129
364 2HB ARG 15 2HB ARG 15 3.028 1.398 3.206
365 1HG ARG 15 1HG ARG 15 3.625 3.343 5.197
366 2HG ARG 15 2HG ARG 15 2.787 1.985 5.949
367 1HD ARG 15 1HD ARG 15 5.074 1.572 4.061
368 2HD ARG 15 2HD ARG 15 5.344 1.889 5.771
369 HE ARG 15 HE ARG 15 3.489 -0.222 5.431
370 1HH1 ARG 15 1HH1 ARG 15 6.895 0.501 5.191
371 2HH1 ARG 15 2HH1 ARG 15 7.391 -1.124 5.526
372 1HH2 ARG 15 1HH2 ARG 15 4.140 -2.360 5.875
373 2HH2 ARG 15 2HH2 ARG 15 5.828 -2.748 5.913
374 H ASN 16 H ASN 16 1.222 1.950 1.333
375 HA ASN 16 HA ASN 16 3.032 1.353 -0.559
376 1HB ASN 16 1HB ASN 16 0.692 0.623 -0.628
377 2HB ASN 16 2HB ASN 16 0.195 2.239 -1.104
378 1HD2 ASN 16 2HD2 ASN 16 -0.559 1.949 -3.092
379 2HD2 ASN 16 1HD2 ASN 16 0.333 1.269 -4.407
380 H TYR 17 H TYR 17 1.517 4.499 -0.138
381 HA TYR 17 HA TYR 17 2.373 5.593 -2.602
382 1HB TYR 17 1HB TYR 17 0.622 6.756 -1.541
383 2HB TYR 17 2HB TYR 17 1.473 6.811 0.000
384 HD1 TYR 17 HD1 TYR 17 1.701 8.083 -3.499
385 HD2 TYR 17 HD2 TYR 17 2.639 8.734 0.599
386 HE1 TYR 17 HE1 TYR 17 2.566 10.316 -4.057
387 HE2 TYR 17 HE2 TYR 17 3.503 10.970 0.053
388 HH TYR 17 HH TYR 17 3.018 12.429 -3.022
389 H ALA 18 H ALA 18 3.559 6.390 0.663
390 HA ALA 18 HA ALA 18 5.849 7.741 -0.089
391 1HB ALA 18 1HB ALA 18 4.932 7.741 2.185
392 2HB ALA 18 2HB ALA 18 5.475 6.077 2.398
393 3HB ALA 18 3HB ALA 18 6.655 7.367 2.172
394 H LEU 19 H LEU 19 5.657 4.302 0.877
395 HA LEU 19 HA LEU 19 8.296 3.621 0.563
396 1HB LEU 19 1HB LEU 19 6.169 1.762 -0.436
397 2HB LEU 19 2HB LEU 19 7.667 1.375 0.384
398 HG LEU 19 HG LEU 19 5.357 2.762 1.706
399 1HD1 LEU 19 1HD1 LEU 19 5.660 0.003 1.021
400 2HD1 LEU 19 2HD1 LEU 19 5.681 0.198 2.775
401 3HD1 LEU 19 3HD1 LEU 19 4.322 0.814 1.835
402 1HD2 LEU 19 1HD2 LEU 19 7.932 2.761 2.478
403 2HD2 LEU 19 2HD2 LEU 19 6.573 2.812 3.602
404 3HD2 LEU 19 3HD2 LEU 19 7.371 1.279 3.250
405 H LYS 20 H LYS 20 5.782 3.536 -1.947
406 HA LYS 20 HA LYS 20 7.112 2.596 -4.092
407 1HB LYS 20 1HB LYS 20 4.743 3.744 -3.832
408 2HB LYS 20 2HB LYS 20 5.584 5.119 -4.523
409 1HG LYS 20 1HG LYS 20 5.048 4.246 -6.498
410 2HG LYS 20 2HG LYS 20 6.331 3.075 -6.186
411 1HD LYS 20 1HD LYS 20 4.870 1.399 -5.701
412 2HD LYS 20 2HD LYS 20 3.669 2.499 -5.024
413 1HE LYS 20 1HE LYS 20 3.176 1.298 -7.265
414 2HE LYS 20 2HE LYS 20 2.769 3.004 -7.089
415 1HZ LYS 20 1HZ LYS 20 5.372 2.183 -8.211
416 2HZ LYS 20 2HZ LYS 20 3.994 2.248 -9.190
417 3HZ LYS 20 3HZ LYS 20 4.544 3.644 -8.410
418 H GLN 21 H GLN 21 7.566 5.703 -2.590
419 HA GLN 21 HA GLN 21 9.325 6.656 -4.679
420 1HB GLN 21 1HB GLN 21 7.809 8.226 -3.614
421 2HB GLN 21 2HB GLN 21 8.511 7.879 -2.040
422 1HG GLN 21 1HG GLN 21 10.723 8.663 -3.246
423 2HG GLN 21 2HG GLN 21 9.576 9.503 -4.287
424 1HE2 GLN 21 2HE2 GLN 21 8.253 11.113 -3.397
425 2HE2 GLN 21 1HE2 GLN 21 8.643 11.880 -1.899
426 H LYS 22 H LYS 22 9.613 5.580 -1.307
427 HA LYS 22 HA LYS 22 12.487 5.999 -1.371
428 1HB LYS 22 1HB LYS 22 12.448 5.364 0.979
429 2HB LYS 22 2HB LYS 22 11.250 6.605 0.641
430 1HG LYS 22 1HG LYS 22 9.612 5.322 1.396
431 2HG LYS 22 2HG LYS 22 10.096 3.996 0.339
432 1HD LYS 22 1HD LYS 22 10.121 3.394 2.745
433 2HD LYS 22 2HD LYS 22 11.690 3.210 1.961
434 1HE LYS 22 1HE LYS 22 11.578 4.329 4.285
435 2HE LYS 22 2HE LYS 22 12.589 5.055 3.037
436 1HZ LYS 22 1HZ LYS 22 9.801 5.943 3.411
437 2HZ LYS 22 2HZ LYS 22 11.035 6.555 4.396
438 3HZ LYS 22 3HZ LYS 22 11.100 6.778 2.720
439 H VAL 23 H VAL 23 10.511 3.470 -2.353
440 HA VAL 23 HA VAL 23 11.629 1.175 -1.322
441 HB VAL 23 HB VAL 23 10.867 1.574 -4.223
442 1HG1 VAL 23 1HG1 VAL 23 11.676 -0.784 -2.624
443 2HG1 VAL 23 2HG1 VAL 23 10.322 -1.000 -3.733
444 3HG1 VAL 23 3HG1 VAL 23 11.885 -0.455 -4.344
445 1HG2 VAL 23 1HG2 VAL 23 9.293 1.321 -1.772
446 2HG2 VAL 23 2HG2 VAL 23 8.822 1.901 -3.370
447 3HG2 VAL 23 3HG2 VAL 23 8.842 0.171 -3.031
448 H GLN 24 H GLN 24 12.778 2.976 -4.174
449 HA GLN 24 HA GLN 24 15.098 1.372 -4.527
450 1HB GLN 24 1HB GLN 24 15.834 3.296 -6.003
451 2HB GLN 24 2HB GLN 24 14.305 2.540 -6.433
452 1HG GLN 24 1HG GLN 24 13.068 4.361 -5.815
453 2HG GLN 24 2HG GLN 24 14.269 4.919 -4.650
454 1HE2 GLN 24 2HE2 GLN 24 15.932 6.217 -5.322
455 2HE2 GLN 24 1HE2 GLN 24 16.002 6.928 -6.895
456 H ALA 25 H ALA 25 14.354 4.200 -2.635
457 HA ALA 25 HA ALA 25 16.996 5.074 -2.145
458 1HB ALA 25 1HB ALA 25 14.995 6.456 -1.740
459 2HB ALA 25 2HB ALA 25 14.571 5.412 -0.383
460 3HB ALA 25 3HB ALA 25 16.052 6.368 -0.331
461 H LEU 26 H LEU 26 14.966 2.634 -0.664
462 HA LEU 26 HA LEU 26 16.530 2.233 1.666
463 1HB LEU 26 1HB LEU 26 14.576 0.451 0.218
464 2HB LEU 26 2HB LEU 26 15.337 0.004 1.733
465 HG LEU 26 HG LEU 26 13.345 2.202 1.231
466 1HD1 LEU 26 1HD1 LEU 26 13.361 -0.432 2.523
467 2HD1 LEU 26 2HD1 LEU 26 12.568 0.846 3.445
468 3HD1 LEU 26 3HD1 LEU 26 12.032 0.477 1.806
469 1HD2 LEU 26 1HD2 LEU 26 15.418 2.004 3.323
470 2HD2 LEU 26 2HD2 LEU 26 14.577 3.416 2.684
471 3HD2 LEU 26 3HD2 LEU 26 13.787 2.384 3.875
472 H ARG 27 H ARG 27 16.296 0.352 -1.351
473 HA ARG 27 HA ARG 27 18.406 -1.406 -0.723
474 1HB ARG 27 1HB ARG 27 18.409 -1.873 -3.204
475 2HB ARG 27 2HB ARG 27 16.868 -2.093 -2.387
476 1HG ARG 27 1HG ARG 27 16.735 0.514 -3.216
477 2HG ARG 27 2HG ARG 27 17.614 -0.267 -4.529
478 1HD ARG 27 1HD ARG 27 15.668 -2.081 -4.123
479 2HD ARG 27 2HD ARG 27 14.820 -0.613 -3.640
480 HE ARG 27 HE ARG 27 16.078 -0.096 -6.069
481 1HH1 ARG 27 1HH1 ARG 27 13.551 -2.156 -4.825
482 2HH1 ARG 27 2HH1 ARG 27 12.687 -2.212 -6.324
483 1HH2 ARG 27 1HH2 ARG 27 14.941 -0.167 -8.041
484 2HH2 ARG 27 2HH2 ARG 27 13.475 -1.083 -8.150
485 H HIS 28 H HIS 28 18.390 1.813 -2.036
486 HA HIS 28 HA HIS 28 21.163 1.616 -2.904
487 1HB HIS 28 1HB HIS 28 18.965 3.565 -3.268
488 2HB HIS 28 2HB HIS 28 20.590 4.236 -3.202
489 HD1 HIS 28 HD1 HIS 28 20.607 4.857 -5.717
490 HD2 HIS 28 HD2 HIS 28 19.981 0.819 -4.964
491 HE1 HIS 28 HE1 HIS 28 20.860 3.672 -7.937
492 H LYS 29 H LYS 29 20.078 1.614 0.024
493 HA LYS 29 HA LYS 29 21.283 3.960 1.167
494 1HB LYS 29 1HB LYS 29 19.352 2.345 2.057
495 2HB LYS 29 2HB LYS 29 20.720 1.563 2.838
496 1HG LYS 29 1HG LYS 29 20.201 4.509 3.086
497 2HG LYS 29 2HG LYS 29 19.480 3.321 4.175
498 1HD LYS 29 1HD LYS 29 21.609 2.624 4.962
499 2HD LYS 29 2HD LYS 29 22.445 3.508 3.684
500 1HE LYS 29 1HE LYS 29 21.071 5.518 4.848
501 2HE LYS 29 2HE LYS 29 21.327 4.465 6.239
502 1HZ LYS 29 1HZ LYS 29 23.508 5.345 4.431
503 2HZ LYS 29 2HZ LYS 29 23.100 6.150 5.862
504 3HZ LYS 29 3HZ LYS 29 23.664 4.556 5.919
505 H GLY 30 H GLY 30 21.996 0.504 1.718
506 1HA GLY 30 1HA GLY 30 24.561 0.972 2.784
507 2HA GLY 30 2HA GLY 30 23.973 -0.569 2.176
508 1HN NH2 31 1HN NH2 31 26.409 -0.486 1.655
509 2HN NH2 31 2HN NH2 31 26.811 0.065 0.068
Start of MODEL 16
1 1H ACE 0 1H ACE 0 -22.032 6.450 -5.487
2 2H ACE 0 2H ACE 0 -20.301 6.613 -5.196
3 3H ACE 0 3H ACE 0 -21.370 6.094 -3.892
4 H GLU 1 H GLU 1 -19.273 5.062 -6.295
5 HA GLU 1 HA GLU 1 -20.474 2.544 -6.925
6 1HB GLU 1 1HB GLU 1 -17.617 3.480 -7.240
7 2HB GLU 1 2HB GLU 1 -18.290 2.017 -7.944
8 1HG GLU 1 1HG GLU 1 -19.277 3.124 -9.619
9 2HG GLU 1 2HG GLU 1 -19.773 4.459 -8.580
10 H VAL 2 H VAL 2 -20.522 0.778 -5.710
11 HA VAL 2 HA VAL 2 -18.998 0.672 -3.248
12 HB VAL 2 HB VAL 2 -20.929 -1.375 -4.347
13 1HG1 VAL 2 1HG1 VAL 2 -19.390 -2.194 -2.606
14 2HG1 VAL 2 2HG1 VAL 2 -19.953 -0.914 -1.531
15 3HG1 VAL 2 3HG1 VAL 2 -21.068 -2.171 -2.066
16 1HG2 VAL 2 1HG2 VAL 2 -22.025 0.791 -4.099
17 2HG2 VAL 2 2HG2 VAL 2 -22.597 -0.347 -2.880
18 3HG2 VAL 2 3HG2 VAL 2 -21.439 0.908 -2.440
19 H ALA 3 H ALA 3 -19.472 -1.544 -6.012
20 HA ALA 3 HA ALA 3 -17.502 -3.384 -5.365
21 1HB ALA 3 1HB ALA 3 -18.897 -2.602 -7.852
22 2HB ALA 3 2HB ALA 3 -17.408 -3.531 -8.034
23 3HB ALA 3 3HB ALA 3 -18.744 -4.182 -7.083
24 H GLN 4 H GLN 4 -17.227 -0.271 -6.952
25 HA GLN 4 HA GLN 4 -14.628 -0.516 -7.962
26 1HB GLN 4 1HB GLN 4 -16.430 1.738 -7.261
27 2HB GLN 4 2HB GLN 4 -14.720 2.110 -7.433
28 1HG GLN 4 1HG GLN 4 -15.724 2.511 -9.530
29 2HG GLN 4 2HG GLN 4 -14.806 1.015 -9.685
30 1HE2 GLN 4 2HE2 GLN 4 -16.578 1.378 -11.568
31 2HE2 GLN 4 1HE2 GLN 4 -17.991 0.408 -11.341
32 H LEU 5 H LEU 5 -15.802 0.517 -4.790
33 HA LEU 5 HA LEU 5 -13.176 1.114 -3.799
34 1HB LEU 5 1HB LEU 5 -15.895 0.905 -2.543
35 2HB LEU 5 2HB LEU 5 -14.457 1.088 -1.556
36 HG LEU 5 HG LEU 5 -15.219 3.029 -3.734
37 1HD1 LEU 5 1HD1 LEU 5 -15.990 2.918 -0.846
38 2HD1 LEU 5 2HD1 LEU 5 -15.809 4.466 -1.671
39 3HD1 LEU 5 3HD1 LEU 5 -16.983 3.287 -2.257
40 1HD2 LEU 5 1HD2 LEU 5 -12.830 2.904 -2.988
41 2HD2 LEU 5 2HD2 LEU 5 -13.603 4.470 -2.744
42 3HD2 LEU 5 3HD2 LEU 5 -13.375 3.377 -1.379
43 H GLU 6 H GLU 6 -15.349 -1.633 -3.747
44 HA GLU 6 HA GLU 6 -14.132 -3.158 -1.744
45 1HB GLU 6 1HB GLU 6 -15.684 -3.910 -4.212
46 2HB GLU 6 2HB GLU 6 -15.061 -5.130 -3.110
47 1HG GLU 6 1HG GLU 6 -16.421 -4.381 -1.347
48 2HG GLU 6 2HG GLU 6 -16.814 -2.879 -2.182
49 H LYS 7 H LYS 7 -13.299 -2.663 -5.109
50 HA LYS 7 HA LYS 7 -11.273 -4.717 -5.128
51 1HB LYS 7 1HB LYS 7 -11.363 -2.539 -7.173
52 2HB LYS 7 2HB LYS 7 -10.986 -4.244 -7.376
53 1HG LYS 7 1HG LYS 7 -13.632 -4.230 -6.548
54 2HG LYS 7 2HG LYS 7 -13.510 -2.856 -7.648
55 1HD LYS 7 1HD LYS 7 -12.677 -5.694 -8.248
56 2HD LYS 7 2HD LYS 7 -14.129 -4.887 -8.847
57 1HE LYS 7 1HE LYS 7 -11.330 -3.906 -9.375
58 2HE LYS 7 2HE LYS 7 -12.209 -4.978 -10.465
59 1HZ LYS 7 1HZ LYS 7 -13.989 -3.021 -10.110
60 2HZ LYS 7 2HZ LYS 7 -12.550 -2.141 -9.986
61 3HZ LYS 7 3HZ LYS 7 -12.867 -3.051 -11.375
62 H GLU 8 H GLU 8 -11.471 -1.317 -4.452
63 HA GLU 8 HA GLU 8 -8.832 -0.525 -4.813
64 1HB GLU 8 1HB GLU 8 -10.783 0.952 -4.241
65 2HB GLU 8 2HB GLU 8 -10.649 0.391 -2.581
66 1HG GLU 8 1HG GLU 8 -8.349 1.279 -2.503
67 2HG GLU 8 2HG GLU 8 -8.569 1.912 -4.135
68 H VAL 9 H VAL 9 -10.278 -2.485 -2.332
69 HA VAL 9 HA VAL 9 -8.098 -2.279 -0.481
70 HB VAL 9 HB VAL 9 -10.344 -4.297 -0.653
71 1HG1 VAL 9 1HG1 VAL 9 -8.065 -4.000 1.235
72 2HG1 VAL 9 2HG1 VAL 9 -9.633 -4.473 1.887
73 3HG1 VAL 9 3HG1 VAL 9 -8.862 -5.458 0.644
74 1HG2 VAL 9 1HG2 VAL 9 -10.973 -1.912 -0.232
75 2HG2 VAL 9 2HG2 VAL 9 -11.415 -3.025 1.062
76 3HG2 VAL 9 3HG2 VAL 9 -10.008 -1.979 1.242
77 H ALA 10 H ALA 10 -9.265 -4.896 -2.611
78 HA ALA 10 HA ALA 10 -7.150 -6.664 -2.193
79 1HB ALA 10 1HB ALA 10 -9.444 -6.759 -3.622
80 2HB ALA 10 2HB ALA 10 -8.256 -6.625 -4.919
81 3HB ALA 10 3HB ALA 10 -8.146 -7.946 -3.755
82 H GLN 11 H GLN 11 -7.354 -3.779 -4.106
83 HA GLN 11 HA GLN 11 -5.185 -4.246 -5.848
84 1HB GLN 11 1HB GLN 11 -6.815 -2.488 -6.276
85 2HB GLN 11 2HB GLN 11 -6.339 -1.653 -4.805
86 1HG GLN 11 1HG GLN 11 -3.971 -1.910 -6.188
87 2HG GLN 11 2HG GLN 11 -5.157 -1.591 -7.452
88 1HE2 GLN 11 2HE2 GLN 11 -5.698 0.444 -7.813
89 2HE2 GLN 11 1HE2 GLN 11 -5.383 1.776 -6.760
90 H LEU 12 H LEU 12 -5.340 -2.274 -2.866
91 HA LEU 12 HA LEU 12 -2.525 -1.909 -2.736
92 1HB LEU 12 1HB LEU 12 -4.570 -1.662 -0.531
93 2HB LEU 12 2HB LEU 12 -2.932 -1.039 -0.487
94 HG LEU 12 HG LEU 12 -4.972 -0.127 -2.509
95 1HD1 LEU 12 1HD1 LEU 12 -5.766 0.345 -0.239
96 2HD1 LEU 12 2HD1 LEU 12 -4.244 1.156 0.119
97 3HD1 LEU 12 3HD1 LEU 12 -5.329 1.819 -1.104
98 1HD2 LEU 12 1HD2 LEU 12 -2.621 0.240 -3.094
99 2HD2 LEU 12 2HD2 LEU 12 -3.457 1.760 -2.775
100 3HD2 LEU 12 3HD2 LEU 12 -2.373 1.077 -1.562
101 H GLU 13 H GLU 13 -4.724 -4.320 -1.483
102 HA GLU 13 HA GLU 13 -3.093 -5.468 0.472
103 1HB GLU 13 1HB GLU 13 -5.350 -6.460 -1.217
104 2HB GLU 13 2HB GLU 13 -4.422 -7.625 -0.282
105 1HG GLU 13 1HG GLU 13 -4.947 -6.457 1.765
106 2HG GLU 13 2HG GLU 13 -5.791 -5.200 0.862
107 H ALA 14 H ALA 14 -3.002 -5.674 -2.995
108 HA ALA 14 HA ALA 14 -1.112 -7.887 -2.967
109 1HB ALA 14 1HB ALA 14 -2.564 -6.395 -5.113
110 2HB ALA 14 2HB ALA 14 -1.150 -7.371 -5.512
111 3HB ALA 14 3HB ALA 14 -2.556 -8.122 -4.759
112 H GLU 15 H GLU 15 -1.208 -4.428 -3.656
113 HA GLU 15 HA GLU 15 1.552 -4.296 -4.444
114 1HB GLU 15 1HB GLU 15 -0.412 -2.712 -5.091
115 2HB GLU 15 2HB GLU 15 -0.056 -1.921 -3.561
116 1HG GLU 15 1HG GLU 15 1.911 -1.066 -4.298
117 2HG GLU 15 2HG GLU 15 2.217 -2.415 -5.392
118 H ASN 16 H ASN 16 -0.260 -3.013 -1.647
119 HA ASN 16 HA ASN 16 1.849 -2.078 -0.144
120 1HB ASN 16 1HB ASN 16 -0.526 -1.751 0.434
121 2HB ASN 16 2HB ASN 16 -0.649 -3.450 0.875
122 1HD2 ASN 16 2HD2 ASN 16 -1.390 -2.494 2.905
123 2HD2 ASN 16 1HD2 ASN 16 -0.212 -2.060 4.092
124 H TYR 17 H TYR 17 0.763 -5.372 -0.594
125 HA TYR 17 HA TYR 17 2.478 -6.429 1.477
126 1HB TYR 17 1HB TYR 17 0.420 -7.591 1.141
127 2HB TYR 17 2HB TYR 17 0.698 -7.718 -0.592
128 HD1 TYR 17 HD1 TYR 17 1.859 -8.935 2.710
129 HD2 TYR 17 HD2 TYR 17 1.892 -9.543 -1.501
130 HE1 TYR 17 HE1 TYR 17 2.886 -11.144 3.042
131 HE2 TYR 17 HE2 TYR 17 2.919 -11.755 -1.180
132 HH TYR 17 HH TYR 17 4.203 -12.969 0.457
133 H GLN 18 H GLN 18 2.603 -5.908 -1.964
134 HA GLN 18 HA GLN 18 4.798 -7.673 -2.454
135 1HB GLN 18 1HB GLN 18 3.141 -6.924 -4.187
136 2HB GLN 18 2HB GLN 18 3.893 -5.337 -4.141
137 1HG GLN 18 1HG GLN 18 6.076 -6.707 -4.626
138 2HG GLN 18 2HG GLN 18 4.930 -7.899 -5.236
139 1HE2 GLN 18 2HE2 GLN 18 6.665 -5.105 -5.922
140 2HE2 GLN 18 1HE2 GLN 18 5.908 -4.695 -7.420
141 H LEU 19 H LEU 19 4.474 -4.383 -1.391
142 HA LEU 19 HA LEU 19 7.306 -3.848 -1.854
143 1HB LEU 19 1HB LEU 19 5.082 -2.082 -0.846
144 2HB LEU 19 2HB LEU 19 6.744 -1.561 -1.046
145 HG LEU 19 HG LEU 19 5.120 -2.635 -3.342
146 1HD1 LEU 19 1HD1 LEU 19 4.350 -0.430 -2.003
147 2HD1 LEU 19 2HD1 LEU 19 5.521 0.271 -3.118
148 3HD1 LEU 19 3HD1 LEU 19 4.149 -0.644 -3.741
149 1HD2 LEU 19 1HD2 LEU 19 7.772 -2.249 -3.165
150 2HD2 LEU 19 2HD2 LEU 19 6.856 -2.048 -4.658
151 3HD2 LEU 19 3HD2 LEU 19 7.265 -0.640 -3.679
152 H GLU 20 H GLU 20 4.974 -3.762 0.843
153 HA GLU 20 HA GLU 20 6.663 -3.173 2.921
154 1HB GLU 20 1HB GLU 20 4.149 -3.555 2.987
155 2HB GLU 20 2HB GLU 20 4.506 -5.270 3.135
156 1HG GLU 20 1HG GLU 20 5.942 -3.571 5.035
157 2HG GLU 20 2HG GLU 20 4.189 -3.549 5.212
158 H GLN 21 H GLN 21 6.418 -6.149 1.138
159 HA GLN 21 HA GLN 21 8.059 -7.613 3.034
160 1HB GLN 21 1HB GLN 21 6.213 -8.304 0.985
161 2HB GLN 21 2HB GLN 21 7.765 -9.009 0.557
162 1HG GLN 21 1HG GLN 21 7.734 -9.774 3.073
163 2HG GLN 21 2HG GLN 21 5.994 -9.572 2.875
164 1HE2 GLN 21 2HE2 GLN 21 5.293 -11.613 2.820
165 2HE2 GLN 21 1HE2 GLN 21 5.812 -12.810 1.687
166 H GLU 22 H GLU 22 8.403 -5.883 0.032
167 HA GLU 22 HA GLU 22 11.046 -6.943 -0.497
168 1HB GLU 22 1HB GLU 22 9.054 -5.630 -2.012
169 2HB GLU 22 2HB GLU 22 10.457 -4.570 -2.012
170 1HG GLU 22 1HG GLU 22 11.338 -5.808 -3.614
171 2HG GLU 22 2HG GLU 22 11.442 -7.151 -2.477
172 H VAL 23 H VAL 23 9.603 -3.990 0.757
173 HA VAL 23 HA VAL 23 11.945 -2.430 0.864
174 HB VAL 23 HB VAL 23 9.682 -2.197 2.837
175 1HG1 VAL 23 1HG1 VAL 23 12.003 -0.671 2.274
176 2HG1 VAL 23 2HG1 VAL 23 10.599 0.280 1.789
177 3HG1 VAL 23 3HG1 VAL 23 10.723 -0.333 3.437
178 1HG2 VAL 23 1HG2 VAL 23 9.469 -2.106 -0.007
179 2HG2 VAL 23 2HG2 VAL 23 8.222 -1.816 1.206
180 3HG2 VAL 23 3HG2 VAL 23 9.223 -0.482 0.634
181 H ALA 24 H ALA 24 10.629 -4.881 2.973
182 HA ALA 24 HA ALA 24 12.218 -4.319 5.250
183 1HB ALA 24 1HB ALA 24 10.186 -5.662 5.383
184 2HB ALA 24 2HB ALA 24 10.944 -6.919 4.405
185 3HB ALA 24 3HB ALA 24 11.574 -6.550 6.010
186 H GLN 25 H GLN 25 13.021 -5.579 2.212
187 HA GLN 25 HA GLN 25 15.487 -6.771 3.292
188 1HB GLN 25 1HB GLN 25 14.312 -7.382 0.587
189 2HB GLN 25 2HB GLN 25 15.561 -8.268 1.451
190 1HG GLN 25 1HG GLN 25 13.219 -8.192 3.066
191 2HG GLN 25 2HG GLN 25 12.772 -8.709 1.442
192 1HE2 GLN 25 2HE2 GLN 25 13.243 -9.991 4.232
193 2HE2 GLN 25 1HE2 GLN 25 14.126 -11.425 3.846
194 H LEU 26 H LEU 26 14.322 -4.075 1.774
195 HA LEU 26 HA LEU 26 16.652 -3.715 0.047
196 1HB LEU 26 1HB LEU 26 14.082 -2.185 0.371
197 2HB LEU 26 2HB LEU 26 15.419 -1.583 -0.590
198 HG LEU 26 HG LEU 26 14.137 -4.255 -1.117
199 1HD1 LEU 26 1HD1 LEU 26 12.725 -1.973 -1.284
200 2HD1 LEU 26 2HD1 LEU 26 13.493 -1.979 -2.872
201 3HD1 LEU 26 3HD1 LEU 26 12.499 -3.345 -2.368
202 1HD2 LEU 26 1HD2 LEU 26 16.484 -3.322 -2.007
203 2HD2 LEU 26 2HD2 LEU 26 15.435 -4.364 -2.967
204 3HD2 LEU 26 3HD2 LEU 26 15.413 -2.619 -3.219
205 H GLU 27 H GLU 27 14.935 -1.920 2.614
206 HA GLU 27 HA GLU 27 17.254 -0.207 2.977
207 1HB GLU 27 1HB GLU 27 15.776 0.921 4.683
208 2HB GLU 27 2HB GLU 27 15.191 0.952 3.027
209 1HG GLU 27 1HG GLU 27 13.306 -0.037 3.616
210 2HG GLU 27 2HG GLU 27 14.185 -1.372 4.359
211 H HIS 28 H HIS 28 15.540 -2.747 4.733
212 HA HIS 28 HA HIS 28 17.117 -2.394 7.108
213 1HB HIS 28 1HB HIS 28 14.822 -3.240 7.245
214 2HB HIS 28 2HB HIS 28 15.279 -4.661 6.316
215 HD1 HIS 28 HD1 HIS 28 15.226 -3.316 9.751
216 HD2 HIS 28 HD2 HIS 28 17.017 -6.457 7.707
217 HE1 HIS 28 HE1 HIS 28 16.076 -4.918 11.514
218 H GLU 29 H GLU 29 16.755 -5.617 5.734
219 HA GLU 29 HA GLU 29 19.627 -5.985 5.999
220 1HB GLU 29 1HB GLU 29 19.068 -8.393 5.514
221 2HB GLU 29 2HB GLU 29 18.336 -7.735 6.970
222 1HG GLU 29 1HG GLU 29 16.568 -7.332 4.772
223 2HG GLU 29 2HG GLU 29 17.079 -9.017 4.802
224 H GLY 30 H GLY 30 20.622 -7.480 4.244
225 1HA GLY 30 1HA GLY 30 19.677 -7.458 1.608
226 2HA GLY 30 2HA GLY 30 20.672 -6.027 1.831
227 1HN NH2 31 1HN NH2 31 20.744 -9.528 2.397
228 2HN NH2 31 2HN NH2 31 22.410 -9.735 1.987
229 1H ACE 0 1H ACE 0 -18.191 -2.508 4.318
230 2H ACE 0 2H ACE 0 -19.003 -3.842 3.497
231 3H ACE 0 3H ACE 0 -19.923 -2.757 4.538
232 H GLU 1 H GLU 1 -20.331 -0.606 3.822
233 HA GLU 1 HA GLU 1 -20.581 -0.407 0.950
234 1HB GLU 1 1HB GLU 1 -21.734 1.799 1.565
235 2HB GLU 1 2HB GLU 1 -22.513 0.310 2.081
236 1HG GLU 1 1HG GLU 1 -21.803 0.611 4.318
237 2HG GLU 1 2HG GLU 1 -20.705 1.914 3.863
238 H VAL 2 H VAL 2 -20.414 2.232 0.411
239 HA VAL 2 HA VAL 2 -17.964 2.778 -0.427
240 HB VAL 2 HB VAL 2 -18.502 5.294 0.324
241 1HG1 VAL 2 1HG1 VAL 2 -19.702 3.632 -1.864
242 2HG1 VAL 2 2HG1 VAL 2 -20.013 5.364 -1.740
243 3HG1 VAL 2 3HG1 VAL 2 -18.363 4.777 -1.948
244 1HG2 VAL 2 1HG2 VAL 2 -20.527 4.094 1.614
245 2HG2 VAL 2 2HG2 VAL 2 -20.632 5.728 0.960
246 3HG2 VAL 2 3HG2 VAL 2 -21.296 4.371 0.051
247 H GLN 3 H GLN 3 -18.804 4.590 2.468
248 HA GLN 3 HA GLN 3 -16.164 4.977 3.280
249 1HB GLN 3 1HB GLN 3 -17.040 5.892 5.296
250 2HB GLN 3 2HB GLN 3 -18.166 6.311 4.012
251 1HG GLN 3 1HG GLN 3 -19.539 4.326 4.723
252 2HG GLN 3 2HG GLN 3 -18.487 4.209 6.133
253 1HE2 GLN 3 2HE2 GLN 3 -18.425 6.009 7.592
254 2HE2 GLN 3 1HE2 GLN 3 -19.800 7.043 7.749
255 H ALA 4 H ALA 4 -18.569 2.620 4.381
256 HA ALA 4 HA ALA 4 -17.236 1.402 6.441
257 1HB ALA 4 1HB ALA 4 -19.525 0.878 5.055
258 2HB ALA 4 2HB ALA 4 -18.535 -0.531 4.675
259 3HB ALA 4 3HB ALA 4 -18.872 -0.116 6.356
260 H LEU 5 H LEU 5 -16.487 1.207 3.046
261 HA LEU 5 HA LEU 5 -14.405 -0.802 3.638
262 1HB LEU 5 1HB LEU 5 -16.096 -0.259 1.257
263 2HB LEU 5 2HB LEU 5 -14.460 -0.799 0.965
264 HG LEU 5 HG LEU 5 -16.378 -2.312 2.727
265 1HD1 LEU 5 1HD1 LEU 5 -17.146 -1.985 0.311
266 2HD1 LEU 5 2HD1 LEU 5 -15.770 -2.998 -0.129
267 3HD1 LEU 5 3HD1 LEU 5 -17.038 -3.638 0.917
268 1HD2 LEU 5 1HD2 LEU 5 -13.819 -3.085 1.332
269 2HD2 LEU 5 2HD2 LEU 5 -14.029 -2.819 3.062
270 3HD2 LEU 5 3HD2 LEU 5 -14.843 -4.170 2.274
271 H LYS 6 H LYS 6 -15.158 2.089 1.814
272 HA LYS 6 HA LYS 6 -12.740 2.798 0.748
273 1HB LYS 6 1HB LYS 6 -14.721 4.031 0.229
274 2HB LYS 6 2HB LYS 6 -14.975 4.441 1.915
275 1HG LYS 6 1HG LYS 6 -13.738 6.279 1.741
276 2HG LYS 6 2HG LYS 6 -12.415 5.401 0.970
277 1HD LYS 6 1HD LYS 6 -12.970 6.779 -0.756
278 2HD LYS 6 2HD LYS 6 -14.100 5.466 -1.088
279 1HE LYS 6 1HE LYS 6 -14.712 7.994 0.440
280 2HE LYS 6 2HE LYS 6 -15.205 7.639 -1.215
281 1HZ LYS 6 1HZ LYS 6 -16.014 6.054 1.162
282 2HZ LYS 6 2HZ LYS 6 -16.972 7.237 0.425
283 3HZ LYS 6 3HZ LYS 6 -16.554 5.834 -0.425
284 H LYS 7 H LYS 7 -13.813 3.018 4.070
285 HA LYS 7 HA LYS 7 -11.598 4.660 4.909
286 1HB LYS 7 1HB LYS 7 -12.514 4.486 7.119
287 2HB LYS 7 2HB LYS 7 -13.845 4.734 5.999
288 1HG LYS 7 1HG LYS 7 -13.964 2.114 6.049
289 2HG LYS 7 2HG LYS 7 -13.123 2.323 7.585
290 1HD LYS 7 1HD LYS 7 -15.739 3.625 6.822
291 2HD LYS 7 2HD LYS 7 -15.557 2.227 7.883
292 1HE LYS 7 1HE LYS 7 -15.500 3.722 9.545
293 2HE LYS 7 2HE LYS 7 -13.849 4.041 9.012
294 1HZ LYS 7 1HZ LYS 7 -15.231 5.625 7.373
295 2HZ LYS 7 2HZ LYS 7 -16.233 5.668 8.734
296 3HZ LYS 7 3HZ LYS 7 -14.612 6.134 8.864
297 H ARG 8 H ARG 8 -12.302 1.262 4.672
298 HA ARG 8 HA ARG 8 -10.222 0.428 6.460
299 1HB ARG 8 1HB ARG 8 -10.823 -1.774 5.930
300 2HB ARG 8 2HB ARG 8 -12.331 -0.882 5.825
301 1HG ARG 8 1HG ARG 8 -12.634 -1.571 3.742
302 2HG ARG 8 2HG ARG 8 -11.083 -0.888 3.256
303 1HD ARG 8 1HD ARG 8 -10.321 -2.951 2.953
304 2HD ARG 8 2HD ARG 8 -10.478 -3.225 4.685
305 HE ARG 8 HE ARG 8 -12.192 -4.230 2.608
306 1HH1 ARG 8 1HH1 ARG 8 -11.971 -3.419 5.995
307 2HH1 ARG 8 2HH1 ARG 8 -13.251 -4.487 6.463
308 1HH2 ARG 8 1HH2 ARG 8 -13.877 -5.636 3.222
309 2HH2 ARG 8 2HH2 ARG 8 -14.333 -5.746 4.889
310 H VAL 9 H VAL 9 -10.419 1.267 3.112
311 HA VAL 9 HA VAL 9 -8.168 -0.096 2.128
312 HB VAL 9 HB VAL 9 -9.272 2.572 1.228
313 1HG1 VAL 9 1HG1 VAL 9 -6.944 1.917 0.447
314 2HG1 VAL 9 2HG1 VAL 9 -7.724 0.600 -0.429
315 3HG1 VAL 9 3HG1 VAL 9 -8.129 2.274 -0.807
316 1HG2 VAL 9 1HG2 VAL 9 -10.657 0.262 1.289
317 2HG2 VAL 9 2HG2 VAL 9 -10.886 1.509 0.064
318 3HG2 VAL 9 3HG2 VAL 9 -9.867 0.112 -0.281
319 H GLN 10 H GLN 10 -8.502 2.838 3.992
320 HA GLN 10 HA GLN 10 -5.993 3.983 3.509
321 1HB GLN 10 1HB GLN 10 -6.359 5.306 5.456
322 2HB GLN 10 2HB GLN 10 -7.928 5.062 4.703
323 1HG GLN 10 1HG GLN 10 -8.601 4.529 6.760
324 2HG GLN 10 2HG GLN 10 -7.838 2.972 6.437
325 1HE2 GLN 10 2HE2 GLN 10 -7.309 2.558 8.548
326 2HE2 GLN 10 1HE2 GLN 10 -6.109 3.449 9.415
327 H ALA 11 H ALA 11 -6.872 1.175 5.290
328 HA ALA 11 HA ALA 11 -4.491 1.147 6.926
329 1HB ALA 11 1HB ALA 11 -6.921 0.061 7.274
330 2HB ALA 11 2HB ALA 11 -6.059 -1.331 6.616
331 3HB ALA 11 3HB ALA 11 -5.465 -0.534 8.072
332 H LEU 12 H LEU 12 -4.769 0.765 3.735
333 HA LEU 12 HA LEU 12 -2.759 -1.386 3.649
334 1HB LEU 12 1HB LEU 12 -4.351 -0.767 1.219
335 2HB LEU 12 2HB LEU 12 -3.660 -2.285 1.742
336 HG LEU 12 HG LEU 12 -5.955 -1.162 3.288
337 1HD1 LEU 12 1HD1 LEU 12 -6.593 -0.991 0.910
338 2HD1 LEU 12 2HD1 LEU 12 -6.264 -2.714 0.727
339 3HD1 LEU 12 3HD1 LEU 12 -7.551 -2.171 1.802
340 1HD2 LEU 12 1HD2 LEU 12 -4.882 -3.895 2.648
341 2HD2 LEU 12 2HD2 LEU 12 -5.002 -3.106 4.221
342 3HD2 LEU 12 3HD2 LEU 12 -6.462 -3.642 3.389
343 H LYS 13 H LYS 13 -3.852 1.665 2.247
344 HA LYS 13 HA LYS 13 -1.389 1.949 0.736
345 1HB LYS 13 1HB LYS 13 -2.436 4.174 0.074
346 2HB LYS 13 2HB LYS 13 -3.254 2.718 -0.470
347 1HG LYS 13 1HG LYS 13 -4.881 4.306 0.275
348 2HG LYS 13 2HG LYS 13 -4.842 2.962 1.416
349 1HD LYS 13 1HD LYS 13 -4.033 4.244 3.098
350 2HD LYS 13 2HD LYS 13 -3.043 5.224 2.015
351 1HE LYS 13 1HE LYS 13 -5.870 5.633 1.544
352 2HE LYS 13 2HE LYS 13 -5.438 5.963 3.221
353 1HZ LYS 13 1HZ LYS 13 -3.556 7.335 2.233
354 2HZ LYS 13 2HZ LYS 13 -4.402 7.249 0.771
355 3HZ LYS 13 3HZ LYS 13 -5.118 7.974 2.123
356 H ALA 14 H ALA 14 -2.675 2.933 3.776
357 HA ALA 14 HA ALA 14 -1.365 5.323 4.264
358 1HB ALA 14 1HB ALA 14 -2.174 3.066 6.061
359 2HB ALA 14 2HB ALA 14 -1.327 4.477 6.697
360 3HB ALA 14 3HB ALA 14 -2.887 4.670 5.897
361 H ARG 15 H ARG 15 -0.193 2.070 5.147
362 HA ARG 15 HA ARG 15 2.432 3.028 5.766
363 1HB ARG 15 1HB ARG 15 1.191 0.939 6.685
364 2HB ARG 15 2HB ARG 15 1.771 0.149 5.227
365 1HG ARG 15 1HG ARG 15 3.346 -0.371 6.873
366 2HG ARG 15 2HG ARG 15 4.092 0.910 5.915
367 1HD ARG 15 1HD ARG 15 4.499 1.825 7.932
368 2HD ARG 15 2HD ARG 15 2.834 2.384 7.790
369 HE ARG 15 HE ARG 15 3.823 0.226 9.485
370 1HH1 ARG 15 1HH1 ARG 15 1.085 2.040 8.284
371 2HH1 ARG 15 2HH1 ARG 15 0.023 1.495 9.537
372 1HH2 ARG 15 1HH2 ARG 15 2.422 -0.483 11.128
373 2HH2 ARG 15 2HH2 ARG 15 0.780 0.066 11.149
374 H ASN 16 H ASN 16 0.956 1.304 3.057
375 HA ASN 16 HA ASN 16 3.248 0.727 1.589
376 1HB ASN 16 1HB ASN 16 1.039 -0.179 1.037
377 2HB ASN 16 2HB ASN 16 0.489 1.423 0.563
378 1HD2 ASN 16 2HD2 ASN 16 0.272 -0.632 -1.182
379 2HD2 ASN 16 1HD2 ASN 16 1.397 -0.438 -2.479
380 H TYR 17 H TYR 17 1.153 3.606 1.408
381 HA TYR 17 HA TYR 17 2.374 4.975 -0.631
382 1HB TYR 17 1HB TYR 17 0.364 5.820 0.419
383 2HB TYR 17 2HB TYR 17 1.219 6.086 1.934
384 HD1 TYR 17 HD1 TYR 17 1.227 7.144 -1.640
385 HD2 TYR 17 HD2 TYR 17 2.145 8.173 2.384
386 HE1 TYR 17 HE1 TYR 17 1.778 9.431 -2.356
387 HE2 TYR 17 HE2 TYR 17 2.699 10.463 1.679
388 HH TYR 17 HH TYR 17 3.524 11.431 -0.945
389 H ALA 18 H ALA 18 3.409 4.749 2.735
390 HA ALA 18 HA ALA 18 5.502 6.648 2.545
391 1HB ALA 18 1HB ALA 18 4.326 5.370 4.606
392 2HB ALA 18 2HB ALA 18 5.826 4.451 4.483
393 3HB ALA 18 3HB ALA 18 5.880 6.197 4.723
394 H LEU 19 H LEU 19 5.496 3.086 2.358
395 HA LEU 19 HA LEU 19 8.282 2.887 1.876
396 1HB LEU 19 1HB LEU 19 6.477 0.805 0.776
397 2HB LEU 19 2HB LEU 19 7.977 0.635 1.659
398 HG LEU 19 HG LEU 19 5.237 1.151 2.785
399 1HD1 LEU 19 1HD1 LEU 19 7.166 -1.094 2.740
400 2HD1 LEU 19 2HD1 LEU 19 6.210 -0.859 4.203
401 3HD1 LEU 19 3HD1 LEU 19 5.405 -1.107 2.654
402 1HD2 LEU 19 1HD2 LEU 19 7.901 1.755 3.922
403 2HD2 LEU 19 2HD2 LEU 19 6.334 2.500 4.240
404 3HD2 LEU 19 3HD2 LEU 19 6.742 0.953 4.983
405 H LYS 20 H LYS 20 5.474 2.658 -0.299
406 HA LYS 20 HA LYS 20 6.629 2.290 -2.729
407 1HB LYS 20 1HB LYS 20 4.146 2.960 -1.927
408 2HB LYS 20 2HB LYS 20 4.640 4.486 -2.648
409 1HG LYS 20 1HG LYS 20 4.933 3.511 -4.768
410 2HG LYS 20 2HG LYS 20 4.880 1.875 -4.110
411 1HD LYS 20 1HD LYS 20 2.554 2.045 -3.650
412 2HD LYS 20 2HD LYS 20 2.552 3.780 -3.973
413 1HE LYS 20 1HE LYS 20 3.512 2.800 -6.319
414 2HE LYS 20 2HE LYS 20 2.419 1.507 -5.828
415 1HZ LYS 20 1HZ LYS 20 1.402 4.228 -5.613
416 2HZ LYS 20 2HZ LYS 20 1.618 3.630 -7.180
417 3HZ LYS 20 3HZ LYS 20 0.611 2.811 -6.095
418 H GLN 21 H GLN 21 6.770 5.158 -0.766
419 HA GLN 21 HA GLN 21 7.857 6.858 -2.803
420 1HB GLN 21 1HB GLN 21 6.550 7.816 -1.006
421 2HB GLN 21 2HB GLN 21 7.654 7.153 0.192
422 1HG GLN 21 1HG GLN 21 9.013 8.825 -1.749
423 2HG GLN 21 2HG GLN 21 7.731 9.686 -0.900
424 1HE2 GLN 21 2HE2 GLN 21 8.020 10.264 1.182
425 2HE2 GLN 21 1HE2 GLN 21 9.451 9.941 2.093
426 H LYS 22 H LYS 22 9.136 4.992 -0.090
427 HA LYS 22 HA LYS 22 11.847 5.896 -0.594
428 1HB LYS 22 1HB LYS 22 12.446 4.699 1.386
429 2HB LYS 22 2HB LYS 22 10.930 5.529 1.714
430 1HG LYS 22 1HG LYS 22 9.799 3.336 1.080
431 2HG LYS 22 2HG LYS 22 11.393 2.610 1.233
432 1HD LYS 22 1HD LYS 22 9.741 3.938 3.351
433 2HD LYS 22 2HD LYS 22 10.331 2.283 3.310
434 1HE LYS 22 1HE LYS 22 12.594 3.014 3.641
435 2HE LYS 22 2HE LYS 22 12.117 4.706 3.492
436 1HZ LYS 22 1HZ LYS 22 10.724 3.217 5.546
437 2HZ LYS 22 2HZ LYS 22 12.381 3.416 5.819
438 3HZ LYS 22 3HZ LYS 22 11.390 4.770 5.598
439 H VAL 23 H VAL 23 9.975 2.903 -0.882
440 HA VAL 23 HA VAL 23 11.644 0.923 -1.346
441 HB VAL 23 HB VAL 23 9.496 1.562 -3.365
442 1HG1 VAL 23 1HG1 VAL 23 11.179 -0.803 -2.794
443 2HG1 VAL 23 2HG1 VAL 23 9.474 -1.107 -3.131
444 3HG1 VAL 23 3HG1 VAL 23 10.468 -0.254 -4.313
445 1HG2 VAL 23 1HG2 VAL 23 9.254 1.111 -0.583
446 2HG2 VAL 23 2HG2 VAL 23 7.970 1.219 -1.786
447 3HG2 VAL 23 3HG2 VAL 23 8.686 -0.345 -1.401
448 H GLN 24 H GLN 24 10.917 3.224 -3.985
449 HA GLN 24 HA GLN 24 12.786 2.204 -5.802
450 1HB GLN 24 1HB GLN 24 12.600 4.424 -6.919
451 2HB GLN 24 2HB GLN 24 11.049 3.674 -6.568
452 1HG GLN 24 1HG GLN 24 11.309 5.137 -4.356
453 2HG GLN 24 2HG GLN 24 12.275 6.121 -5.454
454 1HE2 GLN 24 2HE2 GLN 24 9.414 6.094 -4.149
455 2HE2 GLN 24 1HE2 GLN 24 8.424 6.670 -5.442
456 H ALA 25 H ALA 25 13.075 4.843 -3.447
457 HA ALA 25 HA ALA 25 15.666 5.660 -4.094
458 1HB ALA 25 1HB ALA 25 13.806 6.523 -2.346
459 2HB ALA 25 2HB ALA 25 14.941 5.751 -1.239
460 3HB ALA 25 3HB ALA 25 15.493 7.035 -2.314
461 H LEU 26 H LEU 26 14.519 3.093 -1.963
462 HA LEU 26 HA LEU 26 17.036 2.443 -0.842
463 1HB LEU 26 1HB LEU 26 14.762 0.511 -1.241
464 2HB LEU 26 2HB LEU 26 15.999 0.476 0.001
465 HG LEU 26 HG LEU 26 13.785 2.515 -0.213
466 1HD1 LEU 26 1HD1 LEU 26 14.086 -0.043 1.232
467 2HD1 LEU 26 2HD1 LEU 26 13.380 1.302 2.128
468 3HD1 LEU 26 3HD1 LEU 26 12.636 0.758 0.626
469 1HD2 LEU 26 1HD2 LEU 26 16.217 2.319 1.465
470 2HD2 LEU 26 2HD2 LEU 26 15.355 3.741 0.876
471 3HD2 LEU 26 3HD2 LEU 26 14.726 2.836 2.252
472 H ARG 27 H ARG 27 15.142 0.764 -3.357
473 HA ARG 27 HA ARG 27 17.149 -1.046 -4.093
474 1HB ARG 27 1HB ARG 27 15.841 -1.305 -6.203
475 2HB ARG 27 2HB ARG 27 14.870 -1.447 -4.744
476 1HG ARG 27 1HG ARG 27 14.443 1.105 -5.150
477 2HG ARG 27 2HG ARG 27 14.900 0.700 -6.805
478 1HD ARG 27 1HD ARG 27 13.164 -1.317 -6.173
479 2HD ARG 27 2HD ARG 27 12.470 0.054 -5.307
480 HE ARG 27 HE ARG 27 13.094 0.861 -7.917
481 1HH1 ARG 27 1HH1 ARG 27 10.870 -1.243 -6.242
482 2HH1 ARG 27 2HH1 ARG 27 9.631 -1.096 -7.443
483 1HH2 ARG 27 1HH2 ARG 27 11.466 1.055 -9.498
484 2HH2 ARG 27 2HH2 ARG 27 9.969 0.208 -9.292
485 H HIS 28 H HIS 28 16.252 2.089 -5.504
486 HA HIS 28 HA HIS 28 18.131 2.099 -7.580
487 1HB HIS 28 1HB HIS 28 16.806 4.353 -6.071
488 2HB HIS 28 2HB HIS 28 17.857 4.620 -7.458
489 HD1 HIS 28 HD1 HIS 28 16.443 1.817 -8.722
490 HD2 HIS 28 HD2 HIS 28 14.771 5.489 -7.731
491 HE1 HIS 28 HE1 HIS 28 14.313 2.015 -10.070
492 H LYS 29 H LYS 29 18.475 2.721 -4.182
493 HA LYS 29 HA LYS 29 20.779 4.273 -4.126
494 1HB LYS 29 1HB LYS 29 19.364 3.642 -2.157
495 2HB LYS 29 2HB LYS 29 20.103 2.047 -2.198
496 1HG LYS 29 1HG LYS 29 22.242 2.934 -1.659
497 2HG LYS 29 2HG LYS 29 21.677 4.590 -1.886
498 1HD LYS 29 1HD LYS 29 20.819 4.695 0.181
499 2HD LYS 29 2HD LYS 29 20.100 3.089 0.057
500 1HE LYS 29 1HE LYS 29 23.036 3.154 0.285
501 2HE LYS 29 2HE LYS 29 22.153 3.715 1.704
502 1HZ LYS 29 1HZ LYS 29 20.845 1.597 1.534
503 2HZ LYS 29 2HZ LYS 29 21.973 1.066 0.389
504 3HZ LYS 29 3HZ LYS 29 22.468 1.410 1.969
505 H GLY 30 H GLY 30 22.565 3.872 -5.267
506 1HA GLY 30 1HA GLY 30 24.436 1.981 -4.684
507 2HA GLY 30 2HA GLY 30 23.421 1.191 -5.881
508 1HN NH2 31 1HN NH2 31 24.389 4.583 -5.666
509 2HN NH2 31 2HN NH2 31 25.227 4.625 -7.177
Start of MODEL 17
1 1H ACE 0 1H ACE 0 -21.655 6.871 -2.648
2 2H ACE 0 2H ACE 0 -19.940 6.826 -3.058
3 3H ACE 0 3H ACE 0 -20.487 6.240 -1.487
4 H GLU 1 H GLU 1 -19.385 5.216 -4.374
5 HA GLU 1 HA GLU 1 -21.168 2.983 -4.799
6 1HB GLU 1 1HB GLU 1 -18.636 3.939 -6.099
7 2HB GLU 1 2HB GLU 1 -19.264 2.333 -6.444
8 1HG GLU 1 1HG GLU 1 -20.898 4.832 -6.769
9 2HG GLU 1 2HG GLU 1 -19.906 4.153 -8.058
10 H VAL 2 H VAL 2 -21.018 1.053 -3.872
11 HA VAL 2 HA VAL 2 -19.079 0.492 -1.887
12 HB VAL 2 HB VAL 2 -20.882 -1.515 -3.241
13 1HG1 VAL 2 1HG1 VAL 2 -19.152 -1.522 -0.850
14 2HG1 VAL 2 2HG1 VAL 2 -20.739 -2.266 -0.663
15 3HG1 VAL 2 3HG1 VAL 2 -19.634 -2.847 -1.909
16 1HG2 VAL 2 1HG2 VAL 2 -21.469 0.635 -1.279
17 2HG2 VAL 2 2HG2 VAL 2 -22.482 -0.044 -2.552
18 3HG2 VAL 2 3HG2 VAL 2 -22.250 -0.928 -1.044
19 H ALA 3 H ALA 3 -19.615 -0.899 -5.123
20 HA ALA 3 HA ALA 3 -17.447 -2.664 -5.114
21 1HB ALA 3 1HB ALA 3 -19.466 -2.186 -6.827
22 2HB ALA 3 2HB ALA 3 -18.134 -1.433 -7.703
23 3HB ALA 3 3HB ALA 3 -18.037 -3.132 -7.240
24 H GLN 4 H GLN 4 -17.649 0.744 -5.978
25 HA GLN 4 HA GLN 4 -15.142 1.035 -7.183
26 1HB GLN 4 1HB GLN 4 -16.952 2.926 -5.712
27 2HB GLN 4 2HB GLN 4 -15.376 3.458 -6.279
28 1HG GLN 4 1HG GLN 4 -17.242 2.115 -8.176
29 2HG GLN 4 2HG GLN 4 -17.500 3.805 -7.744
30 1HE2 GLN 4 2HE2 GLN 4 -15.830 5.321 -8.210
31 2HE2 GLN 4 1HE2 GLN 4 -14.706 5.020 -9.488
32 H LEU 5 H LEU 5 -16.096 1.011 -3.802
33 HA LEU 5 HA LEU 5 -13.449 1.745 -2.890
34 1HB LEU 5 1HB LEU 5 -16.012 1.010 -1.506
35 2HB LEU 5 2HB LEU 5 -14.508 1.160 -0.617
36 HG LEU 5 HG LEU 5 -15.434 3.423 -2.342
37 1HD1 LEU 5 1HD1 LEU 5 -16.413 2.794 0.437
38 2HD1 LEU 5 2HD1 LEU 5 -16.596 4.356 -0.362
39 3HD1 LEU 5 3HD1 LEU 5 -17.383 2.926 -1.030
40 1HD2 LEU 5 1HD2 LEU 5 -13.499 2.958 -0.163
41 2HD2 LEU 5 2HD2 LEU 5 -13.410 4.043 -1.551
42 3HD2 LEU 5 3HD2 LEU 5 -14.356 4.500 -0.134
43 H GLU 6 H GLU 6 -15.423 -1.151 -3.170
44 HA GLU 6 HA GLU 6 -13.812 -2.890 -1.663
45 1HB GLU 6 1HB GLU 6 -15.758 -3.328 -3.917
46 2HB GLU 6 2HB GLU 6 -14.881 -4.669 -3.192
47 1HG GLU 6 1HG GLU 6 -15.895 -3.347 -1.010
48 2HG GLU 6 2HG GLU 6 -17.178 -3.186 -2.208
49 H LYS 7 H LYS 7 -13.819 -2.148 -5.136
50 HA LYS 7 HA LYS 7 -11.760 -3.926 -5.852
51 1HB LYS 7 1HB LYS 7 -12.351 -1.313 -7.232
52 2HB LYS 7 2HB LYS 7 -11.676 -2.774 -7.937
53 1HG LYS 7 1HG LYS 7 -14.266 -3.253 -6.734
54 2HG LYS 7 2HG LYS 7 -14.327 -1.991 -7.966
55 1HD LYS 7 1HD LYS 7 -13.118 -4.728 -8.354
56 2HD LYS 7 2HD LYS 7 -14.736 -4.256 -8.877
57 1HE LYS 7 1HE LYS 7 -12.499 -2.528 -9.747
58 2HE LYS 7 2HE LYS 7 -12.581 -4.135 -10.468
59 1HZ LYS 7 1HZ LYS 7 -14.968 -2.404 -10.382
60 2HZ LYS 7 2HZ LYS 7 -13.814 -2.217 -11.604
61 3HZ LYS 7 3HZ LYS 7 -14.626 -3.691 -11.424
62 H GLU 8 H GLU 8 -11.713 -0.604 -4.699
63 HA GLU 8 HA GLU 8 -9.010 -0.061 -5.230
64 1HB GLU 8 1HB GLU 8 -10.920 1.520 -4.510
65 2HB GLU 8 2HB GLU 8 -10.447 1.098 -2.870
66 1HG GLU 8 1HG GLU 8 -8.689 2.453 -2.936
67 2HG GLU 8 2HG GLU 8 -8.167 1.823 -4.497
68 H VAL 9 H VAL 9 -10.483 -2.082 -2.884
69 HA VAL 9 HA VAL 9 -8.350 -1.974 -0.961
70 HB VAL 9 HB VAL 9 -10.638 -3.919 -1.302
71 1HG1 VAL 9 1HG1 VAL 9 -8.621 -3.746 0.937
72 2HG1 VAL 9 2HG1 VAL 9 -10.067 -4.755 0.937
73 3HG1 VAL 9 3HG1 VAL 9 -8.778 -5.063 -0.226
74 1HG2 VAL 9 1HG2 VAL 9 -10.147 -1.617 0.577
75 2HG2 VAL 9 2HG2 VAL 9 -11.415 -1.762 -0.641
76 3HG2 VAL 9 3HG2 VAL 9 -11.441 -2.796 0.787
77 H ALA 10 H ALA 10 -9.506 -4.558 -3.144
78 HA ALA 10 HA ALA 10 -7.346 -6.284 -2.811
79 1HB ALA 10 1HB ALA 10 -9.664 -6.427 -4.170
80 2HB ALA 10 2HB ALA 10 -8.537 -6.198 -5.508
81 3HB ALA 10 3HB ALA 10 -8.327 -7.553 -4.401
82 H GLN 11 H GLN 11 -7.636 -3.368 -4.661
83 HA GLN 11 HA GLN 11 -5.514 -3.764 -6.474
84 1HB GLN 11 1HB GLN 11 -7.176 -2.008 -6.794
85 2HB GLN 11 2HB GLN 11 -6.647 -1.208 -5.321
86 1HG GLN 11 1HG GLN 11 -4.500 -1.648 -7.244
87 2HG GLN 11 2HG GLN 11 -5.799 -0.623 -7.850
88 1HE2 GLN 11 2HE2 GLN 11 -3.020 0.013 -7.138
89 2HE2 GLN 11 1HE2 GLN 11 -3.116 1.278 -5.965
90 H LEU 12 H LEU 12 -5.642 -2.242 -3.266
91 HA LEU 12 HA LEU 12 -2.773 -1.816 -3.268
92 1HB LEU 12 1HB LEU 12 -4.742 -1.387 -1.024
93 2HB LEU 12 2HB LEU 12 -3.104 -0.768 -1.117
94 HG LEU 12 HG LEU 12 -5.221 0.014 -3.108
95 1HD1 LEU 12 1HD1 LEU 12 -4.535 1.302 -0.474
96 2HD1 LEU 12 2HD1 LEU 12 -5.442 2.097 -1.759
97 3HD1 LEU 12 3HD1 LEU 12 -6.097 0.658 -0.978
98 1HD2 LEU 12 1HD2 LEU 12 -2.453 0.885 -2.435
99 2HD2 LEU 12 2HD2 LEU 12 -3.211 0.654 -4.009
100 3HD2 LEU 12 3HD2 LEU 12 -3.599 2.079 -3.045
101 H GLU 13 H GLU 13 -5.107 -4.027 -1.878
102 HA GLU 13 HA GLU 13 -3.509 -5.180 0.108
103 1HB GLU 13 1HB GLU 13 -5.920 -6.010 -1.418
104 2HB GLU 13 2HB GLU 13 -5.029 -7.275 -0.582
105 1HG GLU 13 1HG GLU 13 -5.253 -6.037 1.517
106 2HG GLU 13 2HG GLU 13 -6.167 -4.788 0.672
107 H ALA 14 H ALA 14 -3.415 -5.506 -3.332
108 HA ALA 14 HA ALA 14 -1.815 -7.934 -3.232
109 1HB ALA 14 1HB ALA 14 -3.606 -7.077 -5.049
110 2HB ALA 14 2HB ALA 14 -2.114 -6.500 -5.791
111 3HB ALA 14 3HB ALA 14 -2.307 -8.213 -5.416
112 H GLU 15 H GLU 15 -1.425 -4.491 -3.805
113 HA GLU 15 HA GLU 15 1.377 -4.812 -4.519
114 1HB GLU 15 1HB GLU 15 -0.259 -3.104 -5.547
115 2HB GLU 15 2HB GLU 15 -0.026 -2.190 -4.064
116 1HG GLU 15 1HG GLU 15 1.864 -1.342 -4.832
117 2HG GLU 15 2HG GLU 15 2.521 -2.955 -5.103
118 H ASN 16 H ASN 16 -0.492 -3.105 -2.007
119 HA ASN 16 HA ASN 16 1.562 -2.149 -0.458
120 1HB ASN 16 1HB ASN 16 -0.813 -1.652 -0.059
121 2HB ASN 16 2HB ASN 16 -1.062 -3.294 0.525
122 1HD2 ASN 16 2HD2 ASN 16 -1.786 -2.448 2.502
123 2HD2 ASN 16 1HD2 ASN 16 -0.678 -1.835 3.678
124 H TYR 17 H TYR 17 0.412 -5.436 -0.721
125 HA TYR 17 HA TYR 17 1.930 -6.338 1.575
126 1HB TYR 17 1HB TYR 17 -0.145 -7.468 1.187
127 2HB TYR 17 2HB TYR 17 0.270 -7.786 -0.493
128 HD1 TYR 17 HD1 TYR 17 1.761 -8.436 2.883
129 HD2 TYR 17 HD2 TYR 17 0.833 -9.961 -0.979
130 HE1 TYR 17 HE1 TYR 17 2.690 -10.619 3.527
131 HE2 TYR 17 HE2 TYR 17 1.758 -12.149 -0.344
132 HH TYR 17 HH TYR 17 3.566 -12.934 1.446
133 H GLN 18 H GLN 18 2.271 -6.226 -1.902
134 HA GLN 18 HA GLN 18 4.414 -8.080 -2.095
135 1HB GLN 18 1HB GLN 18 2.801 -6.833 -3.900
136 2HB GLN 18 2HB GLN 18 4.299 -5.936 -4.114
137 1HG GLN 18 1HG GLN 18 5.451 -8.165 -4.375
138 2HG GLN 18 2HG GLN 18 3.842 -8.883 -4.462
139 1HE2 GLN 18 2HE2 GLN 18 3.118 -9.187 -6.432
140 2HE2 GLN 18 1HE2 GLN 18 3.530 -8.260 -7.830
141 H LEU 19 H LEU 19 4.235 -4.650 -1.425
142 HA LEU 19 HA LEU 19 7.100 -4.290 -1.710
143 1HB LEU 19 1HB LEU 19 4.954 -2.404 -0.745
144 2HB LEU 19 2HB LEU 19 6.633 -1.969 -1.004
145 HG LEU 19 HG LEU 19 4.866 -3.016 -3.208
146 1HD1 LEU 19 1HD1 LEU 19 4.938 -0.380 -1.959
147 2HD1 LEU 19 2HD1 LEU 19 5.210 -0.347 -3.702
148 3HD1 LEU 19 3HD1 LEU 19 3.749 -1.089 -3.051
149 1HD2 LEU 19 1HD2 LEU 19 7.476 -2.995 -3.257
150 2HD2 LEU 19 2HD2 LEU 19 6.559 -2.441 -4.657
151 3HD2 LEU 19 3HD2 LEU 19 7.261 -1.269 -3.543
152 H GLU 20 H GLU 20 4.699 -4.510 0.868
153 HA GLU 20 HA GLU 20 6.239 -3.751 3.042
154 1HB GLU 20 1HB GLU 20 3.734 -4.472 2.871
155 2HB GLU 20 2HB GLU 20 4.353 -6.070 3.260
156 1HG GLU 20 1HG GLU 20 5.339 -5.183 5.316
157 2HG GLU 20 2HG GLU 20 4.696 -3.588 4.927
158 H GLN 21 H GLN 21 6.401 -6.643 1.138
159 HA GLN 21 HA GLN 21 8.121 -7.968 3.093
160 1HB GLN 21 1HB GLN 21 6.209 -8.991 1.485
161 2HB GLN 21 2HB GLN 21 7.619 -9.231 0.465
162 1HG GLN 21 1HG GLN 21 8.714 -10.406 2.361
163 2HG GLN 21 2HG GLN 21 7.199 -10.276 3.254
164 1HE2 GLN 21 2HE2 GLN 21 8.053 -11.121 -0.089
165 2HE2 GLN 21 1HE2 GLN 21 7.188 -12.617 -0.111
166 H GLU 22 H GLU 22 8.283 -6.211 0.113
167 HA GLU 22 HA GLU 22 10.995 -7.100 -0.454
168 1HB GLU 22 1HB GLU 22 9.350 -6.731 -2.286
169 2HB GLU 22 2HB GLU 22 9.327 -5.021 -1.878
170 1HG GLU 22 1HG GLU 22 11.945 -5.307 -2.212
171 2HG GLU 22 2HG GLU 22 11.402 -6.621 -3.253
172 H VAL 23 H VAL 23 9.369 -4.493 1.114
173 HA VAL 23 HA VAL 23 11.688 -2.738 1.014
174 HB VAL 23 HB VAL 23 9.138 -2.298 2.563
175 1HG1 VAL 23 1HG1 VAL 23 11.454 -0.931 2.716
176 2HG1 VAL 23 2HG1 VAL 23 10.663 -0.061 1.402
177 3HG1 VAL 23 3HG1 VAL 23 9.868 -0.203 2.969
178 1HG2 VAL 23 1HG2 VAL 23 9.397 -2.500 -0.234
179 2HG2 VAL 23 2HG2 VAL 23 8.013 -1.910 0.685
180 3HG2 VAL 23 3HG2 VAL 23 9.251 -0.782 0.134
181 H ALA 24 H ALA 24 10.138 -4.969 3.191
182 HA ALA 24 HA ALA 24 11.104 -4.149 5.651
183 1HB ALA 24 1HB ALA 24 10.464 -6.855 4.536
184 2HB ALA 24 2HB ALA 24 11.075 -6.669 6.179
185 3HB ALA 24 3HB ALA 24 9.564 -5.891 5.706
186 H GLN 25 H GLN 25 12.819 -5.601 3.003
187 HA GLN 25 HA GLN 25 15.189 -5.984 4.699
188 1HB GLN 25 1HB GLN 25 16.083 -7.225 2.693
189 2HB GLN 25 2HB GLN 25 14.693 -7.961 3.477
190 1HG GLN 25 1HG GLN 25 13.228 -7.193 1.758
191 2HG GLN 25 2HG GLN 25 14.507 -6.222 1.033
192 1HE2 GLN 25 2HE2 GLN 25 12.963 -9.222 1.097
193 2HE2 GLN 25 1HE2 GLN 25 14.036 -10.077 0.047
194 H LEU 26 H LEU 26 14.067 -4.395 1.744
195 HA LEU 26 HA LEU 26 16.504 -3.300 0.924
196 1HB LEU 26 1HB LEU 26 13.677 -2.314 0.584
197 2HB LEU 26 2HB LEU 26 15.055 -1.549 -0.181
198 HG LEU 26 HG LEU 26 14.336 -4.443 -0.613
199 1HD1 LEU 26 1HD1 LEU 26 12.503 -2.975 -1.351
200 2HD1 LEU 26 2HD1 LEU 26 13.647 -2.081 -2.353
201 3HD1 LEU 26 3HD1 LEU 26 13.311 -3.777 -2.698
202 1HD2 LEU 26 1HD2 LEU 26 16.283 -2.525 -1.842
203 2HD2 LEU 26 2HD2 LEU 26 16.566 -4.148 -1.214
204 3HD2 LEU 26 3HD2 LEU 26 15.698 -3.932 -2.733
205 H GLU 27 H GLU 27 14.211 -2.256 3.358
206 HA GLU 27 HA GLU 27 15.638 0.242 3.794
207 1HB GLU 27 1HB GLU 27 13.886 0.781 5.364
208 2HB GLU 27 2HB GLU 27 13.159 0.172 3.885
209 1HG GLU 27 1HG GLU 27 11.996 -1.240 5.124
210 2HG GLU 27 2HG GLU 27 13.506 -2.075 5.487
211 H HIS 28 H HIS 28 17.378 -1.738 4.238
212 HA HIS 28 HA HIS 28 17.401 -2.724 6.903
213 1HB HIS 28 1HB HIS 28 19.661 -3.466 6.417
214 2HB HIS 28 2HB HIS 28 18.624 -3.801 5.036
215 HD1 HIS 28 HD1 HIS 28 21.111 -1.110 6.117
216 HD2 HIS 28 HD2 HIS 28 19.622 -2.944 2.700
217 HE1 HIS 28 HE1 HIS 28 22.435 -0.176 4.176
218 H GLU 29 H GLU 29 18.547 0.190 5.374
219 HA GLU 29 HA GLU 29 20.377 1.052 7.316
220 1HB GLU 29 1HB GLU 29 20.188 2.089 5.103
221 2HB GLU 29 2HB GLU 29 18.593 2.703 5.516
222 1HG GLU 29 1HG GLU 29 20.269 4.445 5.688
223 2HG GLU 29 2HG GLU 29 19.567 4.089 7.265
224 H GLY 30 H GLY 30 16.879 1.555 7.030
225 1HA GLY 30 1HA GLY 30 15.843 1.423 9.372
226 2HA GLY 30 2HA GLY 30 16.894 2.791 9.704
227 1HN NH2 31 1HN NH2 31 15.949 4.692 9.575
228 2HN NH2 31 2HN NH2 31 14.591 5.095 8.586
229 1H ACE 0 1H ACE 0 -23.923 -2.485 3.807
230 2H ACE 0 2H ACE 0 -23.163 -1.935 2.315
231 3H ACE 0 3H ACE 0 -23.937 -0.771 3.391
232 H GLU 1 H GLU 1 -21.073 -2.547 2.695
233 HA GLU 1 HA GLU 1 -19.793 -1.825 5.206
234 1HB GLU 1 1HB GLU 1 -17.801 -2.870 3.650
235 2HB GLU 1 2HB GLU 1 -18.757 -3.753 4.827
236 1HG GLU 1 1HG GLU 1 -18.750 -5.016 2.842
237 2HG GLU 1 2HG GLU 1 -20.354 -4.313 2.992
238 H VAL 2 H VAL 2 -20.605 0.174 3.085
239 HA VAL 2 HA VAL 2 -18.483 1.233 1.701
240 HB VAL 2 HB VAL 2 -20.499 2.910 3.186
241 1HG1 VAL 2 1HG1 VAL 2 -18.843 3.368 0.715
242 2HG1 VAL 2 2HG1 VAL 2 -20.205 4.388 1.178
243 3HG1 VAL 2 3HG1 VAL 2 -18.796 4.267 2.232
244 1HG2 VAL 2 1HG2 VAL 2 -20.763 1.283 0.684
245 2HG2 VAL 2 2HG2 VAL 2 -21.857 1.389 2.063
246 3HG2 VAL 2 3HG2 VAL 2 -21.734 2.735 0.930
247 H GLN 3 H GLN 3 -18.792 1.008 5.087
248 HA GLN 3 HA GLN 3 -16.847 3.113 5.585
249 1HB GLN 3 1HB GLN 3 -19.031 2.279 7.019
250 2HB GLN 3 2HB GLN 3 -17.714 1.487 7.873
251 1HG GLN 3 1HG GLN 3 -16.912 3.413 8.700
252 2HG GLN 3 2HG GLN 3 -17.271 4.319 7.230
253 1HE2 GLN 3 2HE2 GLN 3 -17.862 4.453 10.305
254 2HE2 GLN 3 1HE2 GLN 3 -19.509 4.973 10.338
255 H ALA 4 H ALA 4 -17.206 -0.153 6.914
256 HA ALA 4 HA ALA 4 -14.570 -0.517 7.678
257 1HB ALA 4 1HB ALA 4 -16.881 -2.304 7.223
258 2HB ALA 4 2HB ALA 4 -15.289 -3.054 7.346
259 3HB ALA 4 3HB ALA 4 -15.899 -2.057 8.667
260 H LEU 5 H LEU 5 -15.845 -0.600 4.510
261 HA LEU 5 HA LEU 5 -13.501 -2.074 3.524
262 1HB LEU 5 1HB LEU 5 -16.246 -1.656 2.531
263 2HB LEU 5 2HB LEU 5 -14.991 -1.747 1.328
264 HG LEU 5 HG LEU 5 -15.719 -3.864 3.354
265 1HD1 LEU 5 1HD1 LEU 5 -16.760 -3.296 0.824
266 2HD1 LEU 5 2HD1 LEU 5 -15.687 -4.677 0.596
267 3HD1 LEU 5 3HD1 LEU 5 -16.994 -4.761 1.776
268 1HD2 LEU 5 1HD2 LEU 5 -13.414 -3.666 1.440
269 2HD2 LEU 5 2HD2 LEU 5 -13.388 -4.027 3.166
270 3HD2 LEU 5 3HD2 LEU 5 -14.015 -5.217 2.026
271 H LYS 6 H LYS 6 -14.752 0.966 3.963
272 HA LYS 6 HA LYS 6 -13.495 2.225 1.694
273 1HB LYS 6 1HB LYS 6 -15.584 3.100 2.229
274 2HB LYS 6 2HB LYS 6 -15.252 3.042 3.948
275 1HG LYS 6 1HG LYS 6 -14.586 5.158 3.934
276 2HG LYS 6 2HG LYS 6 -13.396 4.819 2.677
277 1HD LYS 6 1HD LYS 6 -14.614 5.953 1.206
278 2HD LYS 6 2HD LYS 6 -15.968 4.854 1.467
279 1HE LYS 6 1HE LYS 6 -17.068 6.624 2.263
280 2HE LYS 6 2HE LYS 6 -16.041 6.484 3.688
281 1HZ LYS 6 1HZ LYS 6 -14.918 7.947 1.441
282 2HZ LYS 6 2HZ LYS 6 -16.218 8.691 2.228
283 3HZ LYS 6 3HZ LYS 6 -14.829 8.274 3.098
284 H LYS 7 H LYS 7 -13.459 3.018 5.144
285 HA LYS 7 HA LYS 7 -11.079 4.440 5.128
286 1HB LYS 7 1HB LYS 7 -12.194 2.814 7.412
287 2HB LYS 7 2HB LYS 7 -11.080 4.167 7.539
288 1HG LYS 7 1HG LYS 7 -12.809 5.530 7.742
289 2HG LYS 7 2HG LYS 7 -13.308 5.104 6.104
290 1HD LYS 7 1HD LYS 7 -15.195 4.460 7.195
291 2HD LYS 7 2HD LYS 7 -14.265 2.973 7.399
292 1HE LYS 7 1HE LYS 7 -15.104 3.451 9.536
293 2HE LYS 7 2HE LYS 7 -13.427 3.992 9.579
294 1HZ LYS 7 1HZ LYS 7 -14.197 6.255 9.176
295 2HZ LYS 7 2HZ LYS 7 -15.805 5.725 9.173
296 3HZ LYS 7 3HZ LYS 7 -14.881 5.619 10.586
297 H ARG 8 H ARG 8 -11.628 1.012 5.152
298 HA ARG 8 HA ARG 8 -9.138 0.185 6.176
299 1HB ARG 8 1HB ARG 8 -9.718 -1.980 5.512
300 2HB ARG 8 2HB ARG 8 -11.262 -1.206 5.823
301 1HG ARG 8 1HG ARG 8 -11.930 -1.826 3.809
302 2HG ARG 8 2HG ARG 8 -10.713 -0.765 3.105
303 1HD ARG 8 1HD ARG 8 -9.728 -2.572 2.264
304 2HD ARG 8 2HD ARG 8 -9.320 -3.051 3.908
305 HE ARG 8 HE ARG 8 -11.433 -4.132 2.243
306 1HH1 ARG 8 1HH1 ARG 8 -10.078 -3.896 5.454
307 2HH1 ARG 8 2HH1 ARG 8 -10.863 -5.327 6.023
308 1HH2 ARG 8 1HH2 ARG 8 -12.460 -6.016 2.994
309 2HH2 ARG 8 2HH2 ARG 8 -12.216 -6.531 4.629
310 H VAL 9 H VAL 9 -10.158 1.206 2.992
311 HA VAL 9 HA VAL 9 -7.997 0.206 1.504
312 HB VAL 9 HB VAL 9 -9.621 2.706 1.003
313 1HG1 VAL 9 1HG1 VAL 9 -7.281 2.024 -0.236
314 2HG1 VAL 9 2HG1 VAL 9 -8.485 1.282 -1.289
315 3HG1 VAL 9 3HG1 VAL 9 -8.556 3.011 -0.948
316 1HG2 VAL 9 1HG2 VAL 9 -10.627 0.238 1.138
317 2HG2 VAL 9 2HG2 VAL 9 -11.206 1.440 -0.014
318 3HG2 VAL 9 3HG2 VAL 9 -10.053 0.210 -0.529
319 H GLN 10 H GLN 10 -8.480 3.362 3.063
320 HA GLN 10 HA GLN 10 -6.077 4.552 2.330
321 1HB GLN 10 1HB GLN 10 -7.413 4.937 5.008
322 2HB GLN 10 2HB GLN 10 -6.436 6.096 4.116
323 1HG GLN 10 1HG GLN 10 -8.407 5.609 2.329
324 2HG GLN 10 2HG GLN 10 -9.274 5.410 3.850
325 1HE2 GLN 10 2HE2 GLN 10 -6.996 7.609 2.257
326 2HE2 GLN 10 1HE2 GLN 10 -7.688 9.061 2.887
327 H ALA 11 H ALA 11 -6.712 2.036 4.611
328 HA ALA 11 HA ALA 11 -4.277 2.339 6.099
329 1HB ALA 11 1HB ALA 11 -6.606 1.102 6.634
330 2HB ALA 11 2HB ALA 11 -5.634 -0.276 6.119
331 3HB ALA 11 3HB ALA 11 -5.090 0.734 7.458
332 H LEU 12 H LEU 12 -5.154 0.849 3.120
333 HA LEU 12 HA LEU 12 -2.884 -0.964 3.125
334 1HB LEU 12 1HB LEU 12 -4.421 -0.430 0.639
335 2HB LEU 12 2HB LEU 12 -3.764 -1.936 1.239
336 HG LEU 12 HG LEU 12 -6.118 -0.678 2.605
337 1HD1 LEU 12 1HD1 LEU 12 -6.187 -2.415 0.145
338 2HD1 LEU 12 2HD1 LEU 12 -7.581 -2.031 1.156
339 3HD1 LEU 12 3HD1 LEU 12 -6.749 -0.748 0.277
340 1HD2 LEU 12 1HD2 LEU 12 -4.630 -2.822 3.256
341 2HD2 LEU 12 2HD2 LEU 12 -6.344 -2.669 3.640
342 3HD2 LEU 12 3HD2 LEU 12 -5.837 -3.585 2.221
343 H LYS 13 H LYS 13 -3.984 1.887 1.341
344 HA LYS 13 HA LYS 13 -1.544 2.128 -0.143
345 1HB LYS 13 1HB LYS 13 -2.534 4.281 -0.913
346 2HB LYS 13 2HB LYS 13 -3.562 2.883 -1.182
347 1HG LYS 13 1HG LYS 13 -5.180 4.090 -0.246
348 2HG LYS 13 2HG LYS 13 -4.373 3.762 1.289
349 1HD LYS 13 1HD LYS 13 -4.052 5.946 1.535
350 2HD LYS 13 2HD LYS 13 -2.990 5.902 0.125
351 1HE LYS 13 1HE LYS 13 -5.487 5.925 -1.009
352 2HE LYS 13 2HE LYS 13 -5.702 6.954 0.405
353 1HZ LYS 13 1HZ LYS 13 -3.397 7.883 -0.556
354 2HZ LYS 13 2HZ LYS 13 -4.147 7.413 -1.996
355 3HZ LYS 13 3HZ LYS 13 -4.909 8.521 -0.970
356 H ALA 14 H ALA 14 -2.682 3.281 2.915
357 HA ALA 14 HA ALA 14 -1.233 5.615 3.257
358 1HB ALA 14 1HB ALA 14 -2.230 3.515 5.113
359 2HB ALA 14 2HB ALA 14 -1.101 4.717 5.736
360 3HB ALA 14 3HB ALA 14 -2.631 5.230 5.024
361 H ARG 15 H ARG 15 -0.206 2.342 4.236
362 HA ARG 15 HA ARG 15 2.490 3.178 4.709
363 1HB ARG 15 1HB ARG 15 1.515 1.327 5.971
364 2HB ARG 15 2HB ARG 15 1.282 0.414 4.487
365 1HG ARG 15 1HG ARG 15 3.245 -0.531 4.916
366 2HG ARG 15 2HG ARG 15 3.975 1.008 4.455
367 1HD ARG 15 1HD ARG 15 4.077 1.732 6.714
368 2HD ARG 15 2HD ARG 15 3.058 0.401 7.255
369 HE ARG 15 HE ARG 15 5.510 -0.446 6.015
370 1HH1 ARG 15 1HH1 ARG 15 4.004 0.541 9.006
371 2HH1 ARG 15 2HH1 ARG 15 5.171 -0.260 10.003
372 1HH2 ARG 15 1HH2 ARG 15 7.046 -1.500 7.326
373 2HH2 ARG 15 2HH2 ARG 15 6.898 -1.419 9.049
374 H ASN 16 H ASN 16 0.902 1.185 2.232
375 HA ASN 16 HA ASN 16 3.058 0.511 0.671
376 1HB ASN 16 1HB ASN 16 0.855 -0.369 0.219
377 2HB ASN 16 2HB ASN 16 0.251 1.230 -0.195
378 1HD2 ASN 16 2HD2 ASN 16 -0.349 -0.271 -2.083
379 2HD2 ASN 16 1HD2 ASN 16 0.759 -0.274 -3.409
380 H TYR 17 H TYR 17 1.047 3.442 0.316
381 HA TYR 17 HA TYR 17 2.364 4.607 -1.811
382 1HB TYR 17 1HB TYR 17 0.306 5.541 -0.904
383 2HB TYR 17 2HB TYR 17 1.132 5.976 0.589
384 HD1 TYR 17 HD1 TYR 17 2.201 6.411 -2.956
385 HD2 TYR 17 HD2 TYR 17 1.082 8.300 0.688
386 HE1 TYR 17 HE1 TYR 17 2.783 8.597 -3.917
387 HE2 TYR 17 HE2 TYR 17 1.660 10.493 -0.264
388 HH TYR 17 HH TYR 17 3.373 10.818 -3.221
389 H ALA 18 H ALA 18 3.197 4.693 1.619
390 HA ALA 18 HA ALA 18 5.330 6.529 1.407
391 1HB ALA 18 1HB ALA 18 4.358 4.615 3.438
392 2HB ALA 18 2HB ALA 18 6.053 5.087 3.556
393 3HB ALA 18 3HB ALA 18 4.791 6.317 3.597
394 H LEU 19 H LEU 19 5.282 2.962 1.427
395 HA LEU 19 HA LEU 19 8.058 2.633 1.122
396 1HB LEU 19 1HB LEU 19 6.210 0.678 -0.158
397 2HB LEU 19 2HB LEU 19 7.663 0.391 0.774
398 HG LEU 19 HG LEU 19 4.929 1.077 1.834
399 1HD1 LEU 19 1HD1 LEU 19 5.889 -1.330 1.127
400 2HD1 LEU 19 2HD1 LEU 19 6.464 -1.245 2.792
401 3HD1 LEU 19 3HD1 LEU 19 4.743 -1.081 2.445
402 1HD2 LEU 19 1HD2 LEU 19 7.529 0.815 3.341
403 2HD2 LEU 19 2HD2 LEU 19 6.603 2.299 3.118
404 3HD2 LEU 19 3HD2 LEU 19 5.929 0.975 4.067
405 H LYS 20 H LYS 20 5.466 2.462 -1.312
406 HA LYS 20 HA LYS 20 6.793 2.103 -3.627
407 1HB LYS 20 1HB LYS 20 4.283 2.896 -3.007
408 2HB LYS 20 2HB LYS 20 4.903 4.371 -3.736
409 1HG LYS 20 1HG LYS 20 4.263 3.460 -5.666
410 2HG LYS 20 2HG LYS 20 5.724 2.480 -5.522
411 1HD LYS 20 1HD LYS 20 4.367 0.707 -5.626
412 2HD LYS 20 2HD LYS 20 3.896 1.118 -3.975
413 1HE LYS 20 1HE LYS 20 1.843 1.035 -4.970
414 2HE LYS 20 2HE LYS 20 2.231 2.738 -5.203
415 1HZ LYS 20 1HZ LYS 20 3.256 1.809 -7.415
416 2HZ LYS 20 2HZ LYS 20 2.135 0.567 -7.166
417 3HZ LYS 20 3HZ LYS 20 1.608 2.170 -7.302
418 H GLN 21 H GLN 21 6.889 5.000 -1.672
419 HA GLN 21 HA GLN 21 8.247 6.554 -3.680
420 1HB GLN 21 1HB GLN 21 6.724 7.657 -2.145
421 2HB GLN 21 2HB GLN 21 7.676 7.117 -0.770
422 1HG GLN 21 1HG GLN 21 9.393 8.603 -1.206
423 2HG GLN 21 2HG GLN 21 8.928 8.800 -2.896
424 1HE2 GLN 21 2HE2 GLN 21 9.372 11.072 -1.832
425 2HE2 GLN 21 1HE2 GLN 21 7.942 11.908 -1.340
426 H LYS 22 H LYS 22 9.132 4.925 -0.653
427 HA LYS 22 HA LYS 22 11.904 5.745 -0.959
428 1HB LYS 22 1HB LYS 22 12.201 4.464 1.193
429 2HB LYS 22 2HB LYS 22 11.111 5.843 1.266
430 1HG LYS 22 1HG LYS 22 9.430 4.567 1.937
431 2HG LYS 22 2HG LYS 22 9.667 3.454 0.589
432 1HD LYS 22 1HD LYS 22 9.892 2.291 2.718
433 2HD LYS 22 2HD LYS 22 11.428 2.308 1.849
434 1HE LYS 22 1HE LYS 22 12.137 2.895 3.945
435 2HE LYS 22 2HE LYS 22 11.831 4.488 3.257
436 1HZ LYS 22 1HZ LYS 22 9.478 4.097 4.265
437 2HZ LYS 22 2HZ LYS 22 10.292 3.009 5.271
438 3HZ LYS 22 3HZ LYS 22 10.745 4.639 5.248
439 H VAL 23 H VAL 23 9.964 2.940 -1.618
440 HA VAL 23 HA VAL 23 11.606 0.806 -1.431
441 HB VAL 23 HB VAL 23 9.913 1.418 -3.861
442 1HG1 VAL 23 1HG1 VAL 23 11.439 -0.971 -2.996
443 2HG1 VAL 23 2HG1 VAL 23 9.830 -1.244 -3.665
444 3HG1 VAL 23 3HG1 VAL 23 11.049 -0.399 -4.619
445 1HG2 VAL 23 1HG2 VAL 23 9.180 0.949 -1.166
446 2HG2 VAL 23 2HG2 VAL 23 8.132 1.086 -2.577
447 3HG2 VAL 23 3HG2 VAL 23 8.752 -0.490 -2.090
448 H GLN 24 H GLN 24 11.464 2.663 -4.483
449 HA GLN 24 HA GLN 24 13.781 1.561 -5.588
450 1HB GLN 24 1HB GLN 24 13.771 3.541 -7.092
451 2HB GLN 24 2HB GLN 24 12.206 2.750 -6.974
452 1HG GLN 24 1HG GLN 24 11.513 4.470 -5.332
453 2HG GLN 24 2HG GLN 24 13.048 5.293 -5.604
454 1HE2 GLN 24 2HE2 GLN 24 11.704 7.097 -6.230
455 2HE2 GLN 24 1HE2 GLN 24 11.085 7.179 -7.840
456 H ALA 25 H ALA 25 13.336 4.192 -3.338
457 HA ALA 25 HA ALA 25 15.910 5.346 -3.576
458 1HB ALA 25 1HB ALA 25 13.838 6.347 -2.477
459 2HB ALA 25 2HB ALA 25 14.258 5.377 -1.066
460 3HB ALA 25 3HB ALA 25 15.380 6.600 -1.661
461 H LEU 26 H LEU 26 14.580 2.784 -1.545
462 HA LEU 26 HA LEU 26 16.781 2.424 0.155
463 1HB LEU 26 1HB LEU 26 14.786 0.383 -0.833
464 2HB LEU 26 2HB LEU 26 15.879 0.149 0.517
465 HG LEU 26 HG LEU 26 13.754 2.288 0.434
466 1HD1 LEU 26 1HD1 LEU 26 13.707 -0.501 1.550
467 2HD1 LEU 26 2HD1 LEU 26 12.613 0.769 2.098
468 3HD1 LEU 26 3HD1 LEU 26 12.580 0.243 0.415
469 1HD2 LEU 26 1HD2 LEU 26 15.890 1.541 2.304
470 2HD2 LEU 26 2HD2 LEU 26 15.044 3.074 2.098
471 3HD2 LEU 26 3HD2 LEU 26 14.304 1.779 3.040
472 H ARG 27 H ARG 27 15.855 0.380 -2.613
473 HA ARG 27 HA ARG 27 18.238 -1.049 -2.779
474 1HB ARG 27 1HB ARG 27 17.534 -1.430 -5.199
475 2HB ARG 27 2HB ARG 27 16.388 -1.912 -3.956
476 1HG ARG 27 1HG ARG 27 15.702 0.712 -4.528
477 2HG ARG 27 2HG ARG 27 16.104 0.011 -6.097
478 1HD ARG 27 1HD ARG 27 14.622 -1.979 -5.024
479 2HD ARG 27 2HD ARG 27 13.868 -0.575 -4.274
480 HE ARG 27 HE ARG 27 12.919 -0.095 -6.284
481 1HH1 ARG 27 1HH1 ARG 27 15.720 -2.096 -6.858
482 2HH1 ARG 27 2HH1 ARG 27 15.435 -2.222 -8.561
483 1HH2 ARG 27 1HH2 ARG 27 12.543 -0.261 -8.524
484 2HH2 ARG 27 2HH2 ARG 27 13.633 -1.181 -9.508
485 H HIS 28 H HIS 28 17.418 2.123 -3.969
486 HA HIS 28 HA HIS 28 19.439 2.451 -5.880
487 1HB HIS 28 1HB HIS 28 17.607 4.184 -4.388
488 2HB HIS 28 2HB HIS 28 19.129 4.968 -4.798
489 HD1 HIS 28 HD1 HIS 28 18.845 6.267 -6.902
490 HD2 HIS 28 HD2 HIS 28 16.693 2.714 -6.955
491 HE1 HIS 28 HE1 HIS 28 17.714 6.155 -9.163
492 H LYS 29 H LYS 29 19.496 2.637 -2.394
493 HA LYS 29 HA LYS 29 21.918 4.014 -2.057
494 1HB LYS 29 1HB LYS 29 20.090 3.273 -0.330
495 2HB LYS 29 2HB LYS 29 21.091 1.836 -0.177
496 1HG LYS 29 1HG LYS 29 22.353 4.525 0.062
497 2HG LYS 29 2HG LYS 29 21.435 3.867 1.418
498 1HD LYS 29 1HD LYS 29 23.377 2.038 0.156
499 2HD LYS 29 2HD LYS 29 24.061 3.409 1.030
500 1HE LYS 29 1HE LYS 29 22.203 2.585 2.802
501 2HE LYS 29 2HE LYS 29 22.604 1.050 2.033
502 1HZ LYS 29 1HZ LYS 29 25.015 1.770 2.455
503 2HZ LYS 29 2HZ LYS 29 24.354 2.860 3.566
504 3HZ LYS 29 3HZ LYS 29 24.110 1.197 3.763
505 H GLY 30 H GLY 30 21.343 0.494 -1.826
506 1HA GLY 30 1HA GLY 30 22.910 -0.832 -3.311
507 2HA GLY 30 2HA GLY 30 24.181 0.103 -2.540
508 1HN NH2 31 1HN NH2 31 25.042 -0.637 -0.704
509 2HN NH2 31 2HN NH2 31 24.441 -1.973 0.212
Start of MODEL 18
1 1H ACE 0 1H ACE 0 -23.114 4.172 -6.265
2 2H ACE 0 2H ACE 0 -23.612 2.501 -5.998
3 3H ACE 0 3H ACE 0 -23.759 3.221 -7.602
4 H GLU 1 H GLU 1 -20.960 4.157 -5.912
5 HA GLU 1 HA GLU 1 -19.300 2.591 -7.716
6 1HB GLU 1 1HB GLU 1 -18.929 5.019 -6.049
7 2HB GLU 1 2HB GLU 1 -17.506 4.041 -6.374
8 1HG GLU 1 1HG GLU 1 -18.369 4.197 -8.851
9 2HG GLU 1 2HG GLU 1 -19.182 5.637 -8.239
10 H VAL 2 H VAL 2 -20.687 1.389 -5.382
11 HA VAL 2 HA VAL 2 -19.195 0.799 -3.195
12 HB VAL 2 HB VAL 2 -20.802 -1.163 -4.832
13 1HG1 VAL 2 1HG1 VAL 2 -19.412 -1.400 -2.239
14 2HG1 VAL 2 2HG1 VAL 2 -21.060 -2.026 -2.294
15 3HG1 VAL 2 3HG1 VAL 2 -19.844 -2.642 -3.413
16 1HG2 VAL 2 1HG2 VAL 2 -21.514 0.851 -2.739
17 2HG2 VAL 2 2HG2 VAL 2 -22.299 0.513 -4.283
18 3HG2 VAL 2 3HG2 VAL 2 -22.483 -0.609 -2.935
19 H ALA 3 H ALA 3 -19.056 -1.081 -6.232
20 HA ALA 3 HA ALA 3 -16.969 -2.771 -5.532
21 1HB ALA 3 1HB ALA 3 -18.531 -2.527 -7.709
22 2HB ALA 3 2HB ALA 3 -17.015 -1.886 -8.345
23 3HB ALA 3 3HB ALA 3 -17.069 -3.512 -7.662
24 H GLN 4 H GLN 4 -16.846 0.426 -7.059
25 HA GLN 4 HA GLN 4 -14.154 0.601 -7.634
26 1HB GLN 4 1HB GLN 4 -16.301 2.336 -7.669
27 2HB GLN 4 2HB GLN 4 -15.221 3.075 -6.494
28 1HG GLN 4 1HG GLN 4 -14.592 2.378 -9.352
29 2HG GLN 4 2HG GLN 4 -14.770 3.989 -8.658
30 1HE2 GLN 4 2HE2 GLN 4 -12.687 1.316 -9.163
31 2HE2 GLN 4 1HE2 GLN 4 -11.272 1.992 -8.437
32 H LEU 5 H LEU 5 -15.715 0.649 -4.539
33 HA LEU 5 HA LEU 5 -13.268 1.546 -3.211
34 1HB LEU 5 1HB LEU 5 -15.894 0.874 -1.902
35 2HB LEU 5 2HB LEU 5 -14.575 1.823 -1.243
36 HG LEU 5 HG LEU 5 -16.167 2.711 -3.642
37 1HD1 LEU 5 1HD1 LEU 5 -16.712 3.068 -0.720
38 2HD1 LEU 5 2HD1 LEU 5 -17.226 4.275 -1.899
39 3HD1 LEU 5 3HD1 LEU 5 -17.822 2.619 -2.014
40 1HD2 LEU 5 1HD2 LEU 5 -14.114 3.934 -1.851
41 2HD2 LEU 5 2HD2 LEU 5 -14.228 3.961 -3.610
42 3HD2 LEU 5 3HD2 LEU 5 -15.314 4.957 -2.640
43 H GLU 6 H GLU 6 -15.331 -1.262 -3.593
44 HA GLU 6 HA GLU 6 -14.262 -2.865 -1.553
45 1HB GLU 6 1HB GLU 6 -15.575 -3.537 -4.180
46 2HB GLU 6 2HB GLU 6 -15.048 -4.780 -3.054
47 1HG GLU 6 1HG GLU 6 -16.526 -2.998 -1.512
48 2HG GLU 6 2HG GLU 6 -17.423 -3.152 -3.022
49 H LYS 7 H LYS 7 -13.592 -3.181 -5.047
50 HA LYS 7 HA LYS 7 -11.350 -4.818 -4.766
51 1HB LYS 7 1HB LYS 7 -10.726 -3.717 -7.081
52 2HB LYS 7 2HB LYS 7 -12.086 -4.820 -6.939
53 1HG LYS 7 1HG LYS 7 -13.651 -3.074 -7.022
54 2HG LYS 7 2HG LYS 7 -12.418 -1.845 -6.725
55 1HD LYS 7 1HD LYS 7 -11.439 -2.946 -8.974
56 2HD LYS 7 2HD LYS 7 -13.162 -3.235 -9.225
57 1HE LYS 7 1HE LYS 7 -12.337 -0.533 -8.320
58 2HE LYS 7 2HE LYS 7 -11.966 -0.983 -9.984
59 1HZ LYS 7 1HZ LYS 7 -14.323 -1.531 -10.288
60 2HZ LYS 7 2HZ LYS 7 -14.651 -1.002 -8.715
61 3HZ LYS 7 3HZ LYS 7 -14.099 0.095 -9.878
62 H GLU 8 H GLU 8 -11.682 -1.435 -4.230
63 HA GLU 8 HA GLU 8 -9.070 -0.564 -4.691
64 1HB GLU 8 1HB GLU 8 -11.075 0.863 -4.114
65 2HB GLU 8 2HB GLU 8 -10.829 0.397 -2.436
66 1HG GLU 8 1HG GLU 8 -8.597 1.378 -2.487
67 2HG GLU 8 2HG GLU 8 -8.838 1.842 -4.169
68 H VAL 9 H VAL 9 -10.463 -2.411 -2.079
69 HA VAL 9 HA VAL 9 -8.163 -2.164 -0.361
70 HB VAL 9 HB VAL 9 -10.676 -3.814 -0.243
71 1HG1 VAL 9 1HG1 VAL 9 -8.115 -4.343 1.120
72 2HG1 VAL 9 2HG1 VAL 9 -9.546 -4.342 2.151
73 3HG1 VAL 9 3HG1 VAL 9 -9.458 -5.428 0.765
74 1HG2 VAL 9 1HG2 VAL 9 -10.730 -1.455 0.462
75 2HG2 VAL 9 2HG2 VAL 9 -11.063 -2.561 1.793
76 3HG2 VAL 9 3HG2 VAL 9 -9.479 -1.799 1.656
77 H ALA 10 H ALA 10 -9.577 -4.716 -2.409
78 HA ALA 10 HA ALA 10 -7.757 -6.746 -1.995
79 1HB ALA 10 1HB ALA 10 -9.855 -6.578 -3.568
80 2HB ALA 10 2HB ALA 10 -8.646 -6.190 -4.790
81 3HB ALA 10 3HB ALA 10 -8.560 -7.722 -3.921
82 H GLN 11 H GLN 11 -7.416 -3.768 -3.740
83 HA GLN 11 HA GLN 11 -5.050 -4.349 -5.172
84 1HB GLN 11 1HB GLN 11 -6.340 -2.459 -5.847
85 2HB GLN 11 2HB GLN 11 -6.342 -1.790 -4.225
86 1HG GLN 11 1HG GLN 11 -4.863 -0.472 -5.505
87 2HG GLN 11 2HG GLN 11 -3.858 -1.477 -4.463
88 1HE2 GLN 11 2HE2 GLN 11 -5.338 -1.535 -7.687
89 2HE2 GLN 11 1HE2 GLN 11 -3.982 -2.249 -8.485
90 H LEU 12 H LEU 12 -5.321 -2.075 -2.456
91 HA LEU 12 HA LEU 12 -2.785 -1.795 -1.629
92 1HB LEU 12 1HB LEU 12 -4.705 -2.400 0.542
93 2HB LEU 12 2HB LEU 12 -3.605 -1.051 0.359
94 HG LEU 12 HG LEU 12 -6.271 -1.404 -0.993
95 1HD1 LEU 12 1HD1 LEU 12 -5.921 -0.572 1.469
96 2HD1 LEU 12 2HD1 LEU 12 -5.539 0.939 0.658
97 3HD1 LEU 12 3HD1 LEU 12 -7.101 0.169 0.399
98 1HD2 LEU 12 1HD2 LEU 12 -4.211 -0.290 -2.252
99 2HD2 LEU 12 2HD2 LEU 12 -5.853 0.323 -2.399
100 3HD2 LEU 12 3HD2 LEU 12 -4.722 1.097 -1.300
101 H GLU 13 H GLU 13 -4.905 -4.306 -0.217
102 HA GLU 13 HA GLU 13 -2.998 -5.646 1.260
103 1HB GLU 13 1HB GLU 13 -5.367 -6.899 -0.137
104 2HB GLU 13 2HB GLU 13 -4.503 -7.564 1.242
105 1HG GLU 13 1HG GLU 13 -5.323 -5.921 2.693
106 2HG GLU 13 2HG GLU 13 -5.850 -4.891 1.364
107 H ALA 14 H ALA 14 -3.624 -5.819 -2.166
108 HA ALA 14 HA ALA 14 -1.907 -8.139 -2.514
109 1HB ALA 14 1HB ALA 14 -3.595 -6.491 -4.361
110 2HB ALA 14 2HB ALA 14 -2.402 -7.626 -4.990
111 3HB ALA 14 3HB ALA 14 -3.719 -8.206 -3.971
112 H GLU 15 H GLU 15 -1.848 -4.669 -3.082
113 HA GLU 15 HA GLU 15 0.789 -4.809 -4.297
114 1HB GLU 15 1HB GLU 15 -1.089 -3.255 -5.063
115 2HB GLU 15 2HB GLU 15 -0.746 -2.307 -3.623
116 1HG GLU 15 1HG GLU 15 0.475 -1.236 -5.268
117 2HG GLU 15 2HG GLU 15 1.676 -2.264 -4.487
118 H ASN 16 H ASN 16 -0.713 -3.171 -1.483
119 HA ASN 16 HA ASN 16 1.524 -2.091 -0.317
120 1HB ASN 16 1HB ASN 16 -0.811 -1.825 0.501
121 2HB ASN 16 2HB ASN 16 -0.743 -3.456 1.157
122 1HD2 ASN 16 2HD2 ASN 16 -1.333 -1.997 3.056
123 2HD2 ASN 16 1HD2 ASN 16 -0.014 -1.451 4.027
124 H TYR 17 H TYR 17 0.591 -5.441 -0.481
125 HA TYR 17 HA TYR 17 2.468 -6.322 1.519
126 1HB TYR 17 1HB TYR 17 0.470 -7.622 1.254
127 2HB TYR 17 2HB TYR 17 0.743 -7.797 -0.476
128 HD1 TYR 17 HD1 TYR 17 2.298 -8.646 2.807
129 HD2 TYR 17 HD2 TYR 17 1.772 -9.718 -1.276
130 HE1 TYR 17 HE1 TYR 17 3.482 -10.762 3.217
131 HE2 TYR 17 HE2 TYR 17 2.953 -11.838 -0.878
132 HH TYR 17 HH TYR 17 4.797 -12.599 0.968
133 H GLN 18 H GLN 18 2.251 -6.441 -2.023
134 HA GLN 18 HA GLN 18 4.515 -7.896 -2.609
135 1HB GLN 18 1HB GLN 18 2.838 -5.950 -4.001
136 2HB GLN 18 2HB GLN 18 4.499 -5.953 -4.575
137 1HG GLN 18 1HG GLN 18 3.986 -8.608 -4.483
138 2HG GLN 18 2HG GLN 18 2.392 -7.967 -4.875
139 1HE2 GLN 18 2HE2 GLN 18 5.674 -8.345 -5.936
140 2HE2 GLN 18 1HE2 GLN 18 5.411 -7.891 -7.582
141 H LEU 19 H LEU 19 4.268 -4.441 -1.881
142 HA LEU 19 HA LEU 19 7.042 -3.909 -2.313
143 1HB LEU 19 1HB LEU 19 4.957 -2.345 -0.796
144 2HB LEU 19 2HB LEU 19 6.548 -1.749 -1.224
145 HG LEU 19 HG LEU 19 4.381 -2.516 -3.182
146 1HD1 LEU 19 1HD1 LEU 19 4.333 -0.321 -1.683
147 2HD1 LEU 19 2HD1 LEU 19 5.429 0.242 -2.943
148 3HD1 LEU 19 3HD1 LEU 19 3.816 -0.328 -3.369
149 1HD2 LEU 19 1HD2 LEU 19 7.138 -1.369 -3.597
150 2HD2 LEU 19 2HD2 LEU 19 6.554 -2.948 -4.124
151 3HD2 LEU 19 3HD2 LEU 19 5.896 -1.478 -4.844
152 H GLU 20 H GLU 20 5.025 -4.219 0.608
153 HA GLU 20 HA GLU 20 6.928 -3.845 2.551
154 1HB GLU 20 1HB GLU 20 4.416 -4.293 2.803
155 2HB GLU 20 2HB GLU 20 4.836 -6.000 2.772
156 1HG GLU 20 1HG GLU 20 6.557 -5.074 4.649
157 2HG GLU 20 2HG GLU 20 5.176 -4.008 4.892
158 H GLN 21 H GLN 21 6.511 -6.583 0.448
159 HA GLN 21 HA GLN 21 8.276 -8.288 1.979
160 1HB GLN 21 1HB GLN 21 6.254 -8.828 0.259
161 2HB GLN 21 2HB GLN 21 7.635 -9.000 -0.816
162 1HG GLN 21 1HG GLN 21 8.421 -10.392 1.417
163 2HG GLN 21 2HG GLN 21 6.694 -10.738 1.316
164 1HE2 GLN 21 2HE2 GLN 21 9.763 -10.960 -0.339
165 2HE2 GLN 21 1HE2 GLN 21 9.290 -12.183 -1.464
166 H GLU 22 H GLU 22 8.469 -6.100 -0.725
167 HA GLU 22 HA GLU 22 11.133 -7.016 -1.457
168 1HB GLU 22 1HB GLU 22 9.192 -6.079 -3.007
169 2HB GLU 22 2HB GLU 22 9.934 -4.537 -2.601
170 1HG GLU 22 1HG GLU 22 11.875 -6.547 -3.404
171 2HG GLU 22 2HG GLU 22 10.674 -6.210 -4.649
172 H VAL 23 H VAL 23 9.595 -4.452 0.318
173 HA VAL 23 HA VAL 23 11.881 -2.736 0.443
174 HB VAL 23 HB VAL 23 9.562 -2.728 2.369
175 1HG1 VAL 23 1HG1 VAL 23 11.858 -1.198 2.239
176 2HG1 VAL 23 2HG1 VAL 23 10.636 -0.183 1.473
177 3HG1 VAL 23 3HG1 VAL 23 10.379 -0.791 3.108
178 1HG2 VAL 23 1HG2 VAL 23 9.407 -2.428 -0.441
179 2HG2 VAL 23 2HG2 VAL 23 8.145 -2.147 0.759
180 3HG2 VAL 23 3HG2 VAL 23 9.205 -0.826 0.269
181 H ALA 24 H ALA 24 10.692 -5.430 2.292
182 HA ALA 24 HA ALA 24 11.970 -5.036 4.730
183 1HB ALA 24 1HB ALA 24 10.303 -6.828 4.159
184 2HB ALA 24 2HB ALA 24 11.625 -7.714 3.398
185 3HB ALA 24 3HB ALA 24 11.679 -7.361 5.125
186 H GLN 25 H GLN 25 13.278 -5.968 1.648
187 HA GLN 25 HA GLN 25 15.832 -6.728 2.846
188 1HB GLN 25 1HB GLN 25 14.686 -6.949 0.075
189 2HB GLN 25 2HB GLN 25 16.408 -7.159 0.365
190 1HG GLN 25 1HG GLN 25 15.404 -8.819 2.231
191 2HG GLN 25 2HG GLN 25 14.149 -8.930 0.998
192 1HE2 GLN 25 2HE2 GLN 25 16.263 -10.819 1.980
193 2HE2 GLN 25 1HE2 GLN 25 17.072 -11.348 0.548
194 H LEU 26 H LEU 26 14.360 -4.212 0.905
195 HA LEU 26 HA LEU 26 16.670 -2.911 0.013
196 1HB LEU 26 1HB LEU 26 13.973 -1.751 0.717
197 2HB LEU 26 2HB LEU 26 15.225 -0.901 -0.168
198 HG LEU 26 HG LEU 26 14.031 -3.482 -1.154
199 1HD1 LEU 26 1HD1 LEU 26 12.857 -0.822 -1.092
200 2HD1 LEU 26 2HD1 LEU 26 12.999 -1.470 -2.726
201 3HD1 LEU 26 3HD1 LEU 26 12.126 -2.377 -1.491
202 1HD2 LEU 26 1HD2 LEU 26 16.266 -2.578 -1.997
203 2HD2 LEU 26 2HD2 LEU 26 15.037 -2.963 -3.202
204 3HD2 LEU 26 3HD2 LEU 26 15.322 -1.285 -2.738
205 H GLU 27 H GLU 27 14.578 -1.738 2.655
206 HA GLU 27 HA GLU 27 16.833 -0.310 3.796
207 1HB GLU 27 1HB GLU 27 15.156 0.599 5.371
208 2HB GLU 27 2HB GLU 27 14.707 0.850 3.688
209 1HG GLU 27 1HG GLU 27 13.042 -0.796 3.771
210 2HG GLU 27 2HG GLU 27 13.668 -1.473 5.273
211 H HIS 28 H HIS 28 17.574 -2.801 4.005
212 HA HIS 28 HA HIS 28 16.632 -4.236 6.257
213 1HB HIS 28 1HB HIS 28 17.971 -5.158 4.303
214 2HB HIS 28 2HB HIS 28 19.394 -4.451 5.060
215 HD1 HIS 28 HD1 HIS 28 18.997 -7.556 4.645
216 HD2 HIS 28 HD2 HIS 28 18.238 -5.450 8.146
217 HE1 HIS 28 HE1 HIS 28 19.138 -9.236 6.530
218 H GLU 29 H GLU 29 19.785 -2.615 5.839
219 HA GLU 29 HA GLU 29 20.104 -2.455 8.714
220 1HB GLU 29 1HB GLU 29 22.317 -1.486 8.172
221 2HB GLU 29 2HB GLU 29 22.047 -3.040 7.397
222 1HG GLU 29 1HG GLU 29 21.283 -0.694 5.804
223 2HG GLU 29 2HG GLU 29 23.005 -0.854 6.145
224 H GLY 30 H GLY 30 19.320 -0.351 6.037
225 1HA GLY 30 1HA GLY 30 17.873 1.564 6.851
226 2HA GLY 30 2HA GLY 30 19.232 1.938 7.900
227 1HN NH2 31 1HN NH2 31 21.286 1.394 6.018
228 2HN NH2 31 2HN NH2 31 21.248 2.640 4.823
229 1H ACE 0 1H ACE 0 -17.998 -4.921 3.683
230 2H ACE 0 2H ACE 0 -18.546 -3.771 4.903
231 3H ACE 0 3H ACE 0 -16.955 -3.583 4.165
232 H GLU 1 H GLU 1 -19.345 -1.773 4.264
233 HA GLU 1 HA GLU 1 -20.150 -1.608 1.480
234 1HB GLU 1 1HB GLU 1 -20.917 0.316 3.664
235 2HB GLU 1 2HB GLU 1 -21.774 -0.028 2.168
236 1HG GLU 1 1HG GLU 1 -21.455 -1.916 4.490
237 2HG GLU 1 2HG GLU 1 -22.904 -0.993 4.094
238 H VAL 2 H VAL 2 -20.481 1.165 1.255
239 HA VAL 2 HA VAL 2 -18.238 2.018 0.019
240 HB VAL 2 HB VAL 2 -20.143 3.774 1.562
241 1HG1 VAL 2 1HG1 VAL 2 -17.741 4.469 0.269
242 2HG1 VAL 2 2HG1 VAL 2 -19.051 4.996 -0.789
243 3HG1 VAL 2 3HG1 VAL 2 -18.992 5.549 0.885
244 1HG2 VAL 2 1HG2 VAL 2 -20.272 2.400 -1.052
245 2HG2 VAL 2 2HG2 VAL 2 -21.561 2.822 0.075
246 3HG2 VAL 2 3HG2 VAL 2 -20.883 4.053 -0.991
247 H GLN 3 H GLN 3 -18.915 3.821 2.948
248 HA GLN 3 HA GLN 3 -16.271 4.475 3.471
249 1HB GLN 3 1HB GLN 3 -17.030 5.249 5.635
250 2HB GLN 3 2HB GLN 3 -18.220 5.666 4.411
251 1HG GLN 3 1HG GLN 3 -19.300 3.388 5.164
252 2HG GLN 3 2HG GLN 3 -18.391 3.711 6.639
253 1HE2 GLN 3 2HE2 GLN 3 -18.670 5.971 7.503
254 2HE2 GLN 3 1HE2 GLN 3 -20.271 6.622 7.478
255 H ALA 4 H ALA 4 -18.209 1.771 4.645
256 HA ALA 4 HA ALA 4 -16.557 0.819 6.653
257 1HB ALA 4 1HB ALA 4 -18.826 -0.102 5.284
258 2HB ALA 4 2HB ALA 4 -17.637 -1.402 5.204
259 3HB ALA 4 3HB ALA 4 -18.122 -0.744 6.767
260 H LEU 5 H LEU 5 -16.161 0.590 3.193
261 HA LEU 5 HA LEU 5 -13.747 -1.065 3.591
262 1HB LEU 5 1HB LEU 5 -15.725 -0.818 1.391
263 2HB LEU 5 2HB LEU 5 -14.065 -1.120 0.935
264 HG LEU 5 HG LEU 5 -15.494 -2.866 2.924
265 1HD1 LEU 5 1HD1 LEU 5 -16.585 -2.592 0.548
266 2HD1 LEU 5 2HD1 LEU 5 -15.262 -3.653 0.063
267 3HD1 LEU 5 3HD1 LEU 5 -16.412 -4.182 1.292
268 1HD2 LEU 5 1HD2 LEU 5 -12.952 -2.944 1.390
269 2HD2 LEU 5 2HD2 LEU 5 -13.293 -3.445 3.047
270 3HD2 LEU 5 3HD2 LEU 5 -13.784 -4.469 1.698
271 H LYS 6 H LYS 6 -15.093 1.697 1.943
272 HA LYS 6 HA LYS 6 -12.935 2.711 0.580
273 1HB LYS 6 1HB LYS 6 -15.081 3.666 0.261
274 2HB LYS 6 2HB LYS 6 -15.264 3.995 1.973
275 1HG LYS 6 1HG LYS 6 -14.371 6.017 1.757
276 2HG LYS 6 2HG LYS 6 -12.966 5.373 0.906
277 1HD LYS 6 1HD LYS 6 -13.781 5.942 -1.107
278 2HD LYS 6 2HD LYS 6 -15.413 5.408 -0.699
279 1HE LYS 6 1HE LYS 6 -14.210 7.968 0.330
280 2HE LYS 6 2HE LYS 6 -15.143 7.874 -1.164
281 1HZ LYS 6 1HZ LYS 6 -16.809 6.672 0.509
282 2HZ LYS 6 2HZ LYS 6 -16.040 7.714 1.597
283 3HZ LYS 6 3HZ LYS 6 -16.825 8.341 0.237
284 H LYS 7 H LYS 7 -13.837 3.244 3.978
285 HA LYS 7 HA LYS 7 -11.619 4.990 4.474
286 1HB LYS 7 1HB LYS 7 -12.416 5.166 6.675
287 2HB LYS 7 2HB LYS 7 -13.863 4.973 5.697
288 1HG LYS 7 1HG LYS 7 -13.453 2.415 6.290
289 2HG LYS 7 2HG LYS 7 -12.652 3.143 7.684
290 1HD LYS 7 1HD LYS 7 -15.309 4.227 6.959
291 2HD LYS 7 2HD LYS 7 -15.274 2.593 7.624
292 1HE LYS 7 1HE LYS 7 -13.672 3.749 9.390
293 2HE LYS 7 2HE LYS 7 -14.567 5.184 8.896
294 1HZ LYS 7 1HZ LYS 7 -15.973 2.710 9.686
295 2HZ LYS 7 2HZ LYS 7 -15.456 3.826 10.848
296 3HZ LYS 7 3HZ LYS 7 -16.560 4.296 9.653
297 H ARG 8 H ARG 8 -12.128 1.567 4.587
298 HA ARG 8 HA ARG 8 -10.038 0.954 6.399
299 1HB ARG 8 1HB ARG 8 -10.550 -1.244 6.042
300 2HB ARG 8 2HB ARG 8 -12.044 -0.498 5.511
301 1HG ARG 8 1HG ARG 8 -11.852 -1.444 3.520
302 2HG ARG 8 2HG ARG 8 -10.269 -0.705 3.278
303 1HD ARG 8 1HD ARG 8 -9.431 -2.772 3.346
304 2HD ARG 8 2HD ARG 8 -9.767 -2.750 5.074
305 HE ARG 8 HE ARG 8 -11.275 -4.133 3.013
306 1HH1 ARG 8 1HH1 ARG 8 -11.142 -3.083 6.343
307 2HH1 ARG 8 2HH1 ARG 8 -12.314 -4.237 6.880
308 1HH2 ARG 8 1HH2 ARG 8 -12.816 -5.645 3.724
309 2HH2 ARG 8 2HH2 ARG 8 -13.263 -5.690 5.397
310 H VAL 9 H VAL 9 -10.097 1.747 3.029
311 HA VAL 9 HA VAL 9 -7.698 0.581 2.169
312 HB VAL 9 HB VAL 9 -9.011 3.179 1.313
313 1HG1 VAL 9 1HG1 VAL 9 -6.416 2.608 0.754
314 2HG1 VAL 9 2HG1 VAL 9 -7.227 1.831 -0.602
315 3HG1 VAL 9 3HG1 VAL 9 -7.474 3.548 -0.295
316 1HG2 VAL 9 1HG2 VAL 9 -10.002 0.715 1.021
317 2HG2 VAL 9 2HG2 VAL 9 -10.250 2.000 -0.161
318 3HG2 VAL 9 3HG2 VAL 9 -8.992 0.792 -0.423
319 H GLN 10 H GLN 10 -8.359 3.423 4.080
320 HA GLN 10 HA GLN 10 -5.798 4.610 3.921
321 1HB GLN 10 1HB GLN 10 -7.696 4.825 6.254
322 2HB GLN 10 2HB GLN 10 -6.495 5.998 5.731
323 1HG GLN 10 1HG GLN 10 -7.823 6.230 3.602
324 2HG GLN 10 2HG GLN 10 -9.084 5.282 4.389
325 1HE2 GLN 10 2HE2 GLN 10 -10.604 6.871 4.476
326 2HE2 GLN 10 1HE2 GLN 10 -10.447 8.295 5.441
327 H ALA 11 H ALA 11 -6.843 1.753 5.406
328 HA ALA 11 HA ALA 11 -4.835 1.832 7.504
329 1HB ALA 11 1HB ALA 11 -7.297 0.733 7.462
330 2HB ALA 11 2HB ALA 11 -6.314 -0.671 7.045
331 3HB ALA 11 3HB ALA 11 -6.004 0.209 8.541
332 H LEU 12 H LEU 12 -5.379 0.331 4.389
333 HA LEU 12 HA LEU 12 -3.037 -1.376 4.698
334 1HB LEU 12 1HB LEU 12 -4.485 -1.209 2.103
335 2HB LEU 12 2HB LEU 12 -3.792 -2.577 2.896
336 HG LEU 12 HG LEU 12 -6.279 -1.274 3.958
337 1HD1 LEU 12 1HD1 LEU 12 -6.090 -2.544 1.462
338 2HD1 LEU 12 2HD1 LEU 12 -6.853 -3.695 2.554
339 3HD1 LEU 12 3HD1 LEU 12 -7.545 -2.089 2.341
340 1HD2 LEU 12 1HD2 LEU 12 -5.033 -3.990 4.277
341 2HD2 LEU 12 2HD2 LEU 12 -5.221 -2.740 5.508
342 3HD2 LEU 12 3HD2 LEU 12 -6.641 -3.561 4.860
343 H LYS 13 H LYS 13 -3.951 0.327 1.752
344 HA LYS 13 HA LYS 13 -1.571 0.840 0.670
345 1HB LYS 13 1HB LYS 13 -4.047 1.433 0.080
346 2HB LYS 13 2HB LYS 13 -3.597 2.978 0.637
347 1HG LYS 13 1HG LYS 13 -3.334 2.927 -1.722
348 2HG LYS 13 2HG LYS 13 -1.735 3.000 -0.973
349 1HD LYS 13 1HD LYS 13 -1.174 0.975 -1.701
350 2HD LYS 13 2HD LYS 13 -2.750 0.293 -1.379
351 1HE LYS 13 1HE LYS 13 -3.641 1.225 -3.407
352 2HE LYS 13 2HE LYS 13 -2.137 2.090 -3.714
353 1HZ LYS 13 1HZ LYS 13 -2.214 -0.860 -3.515
354 2HZ LYS 13 2HZ LYS 13 -2.514 -0.060 -4.976
355 3HZ LYS 13 3HZ LYS 13 -1.019 0.116 -4.208
356 H ALA 14 H ALA 14 -3.032 2.558 3.352
357 HA ALA 14 HA ALA 14 -1.826 4.937 3.282
358 1HB ALA 14 1HB ALA 14 -2.678 3.186 5.472
359 2HB ALA 14 2HB ALA 14 -1.499 4.415 5.932
360 3HB ALA 14 3HB ALA 14 -3.022 4.893 5.184
361 H ARG 15 H ARG 15 -0.341 1.899 4.163
362 HA ARG 15 HA ARG 15 2.238 3.152 4.650
363 1HB ARG 15 1HB ARG 15 1.436 1.294 6.101
364 2HB ARG 15 2HB ARG 15 1.484 0.225 4.705
365 1HG ARG 15 1HG ARG 15 3.969 1.694 5.322
366 2HG ARG 15 2HG ARG 15 3.484 0.434 6.459
367 1HD ARG 15 1HD ARG 15 3.628 -0.011 3.491
368 2HD ARG 15 2HD ARG 15 5.003 -0.280 4.562
369 HE ARG 15 HE ARG 15 2.792 -2.010 4.186
370 1HH1 ARG 15 1HH1 ARG 15 4.983 -0.841 6.639
371 2HH1 ARG 15 2HH1 ARG 15 4.829 -2.253 7.627
372 1HH2 ARG 15 1HH2 ARG 15 2.588 -3.870 5.487
373 2HH2 ARG 15 2HH2 ARG 15 3.470 -3.973 6.974
374 H ASN 16 H ASN 16 0.528 1.312 2.212
375 HA ASN 16 HA ASN 16 2.702 0.441 0.670
376 1HB ASN 16 1HB ASN 16 0.384 -0.329 0.388
377 2HB ASN 16 2HB ASN 16 -0.064 1.257 -0.212
378 1HD2 ASN 16 2HD2 ASN 16 -0.621 -0.888 -1.704
379 2HD2 ASN 16 1HD2 ASN 16 0.393 -0.927 -3.099
380 H TYR 17 H TYR 17 0.714 3.374 0.370
381 HA TYR 17 HA TYR 17 1.942 4.505 -1.828
382 1HB TYR 17 1HB TYR 17 -0.110 5.405 -0.879
383 2HB TYR 17 2HB TYR 17 0.750 5.895 0.578
384 HD1 TYR 17 HD1 TYR 17 0.562 6.496 -3.086
385 HD2 TYR 17 HD2 TYR 17 1.764 8.004 0.706
386 HE1 TYR 17 HE1 TYR 17 1.039 8.679 -4.112
387 HE2 TYR 17 HE2 TYR 17 2.243 10.191 -0.309
388 HH TYR 17 HH TYR 17 1.122 11.289 -2.930
389 H ALA 18 H ALA 18 3.038 4.378 1.482
390 HA ALA 18 HA ALA 18 5.057 6.384 1.195
391 1HB ALA 18 1HB ALA 18 4.144 4.555 3.296
392 2HB ALA 18 2HB ALA 18 5.871 4.906 3.331
393 3HB ALA 18 3HB ALA 18 4.703 6.224 3.406
394 H LEU 19 H LEU 19 5.227 2.820 1.474
395 HA LEU 19 HA LEU 19 7.973 2.623 0.984
396 1HB LEU 19 1HB LEU 19 6.196 0.472 -0.045
397 2HB LEU 19 2HB LEU 19 7.700 0.348 0.841
398 HG LEU 19 HG LEU 19 4.972 0.949 1.962
399 1HD1 LEU 19 1HD1 LEU 19 6.410 -1.440 1.540
400 2HD1 LEU 19 2HD1 LEU 19 6.388 -1.135 3.277
401 3HD1 LEU 19 3HD1 LEU 19 4.874 -1.217 2.376
402 1HD2 LEU 19 1HD2 LEU 19 6.960 2.282 2.945
403 2HD2 LEU 19 2HD2 LEU 19 5.886 1.418 4.044
404 3HD2 LEU 19 3HD2 LEU 19 7.452 0.729 3.621
405 H LYS 20 H LYS 20 5.245 2.260 -1.264
406 HA LYS 20 HA LYS 20 6.505 1.754 -3.621
407 1HB LYS 20 1HB LYS 20 3.973 2.401 -2.928
408 2HB LYS 20 2HB LYS 20 4.440 3.857 -3.796
409 1HG LYS 20 1HG LYS 20 4.378 2.839 -5.784
410 2HG LYS 20 2HG LYS 20 5.159 1.380 -5.172
411 1HD LYS 20 1HD LYS 20 3.186 0.358 -5.271
412 2HD LYS 20 2HD LYS 20 2.618 1.432 -3.992
413 1HE LYS 20 1HE LYS 20 2.609 2.419 -6.801
414 2HE LYS 20 2HE LYS 20 1.367 1.271 -6.303
415 1HZ LYS 20 1HZ LYS 20 1.564 3.245 -4.333
416 2HZ LYS 20 2HZ LYS 20 1.471 4.030 -5.830
417 3HZ LYS 20 3HZ LYS 20 0.268 2.933 -5.373
418 H GLN 21 H GLN 21 6.515 4.755 -1.857
419 HA GLN 21 HA GLN 21 7.650 6.252 -4.053
420 1HB GLN 21 1HB GLN 21 6.096 7.358 -2.545
421 2HB GLN 21 2HB GLN 21 7.145 7.014 -1.177
422 1HG GLN 21 1HG GLN 21 8.290 8.873 -1.527
423 2HG GLN 21 2HG GLN 21 8.633 8.396 -3.190
424 1HE2 GLN 21 2HE2 GLN 21 8.258 10.157 -4.356
425 2HE2 GLN 21 1HE2 GLN 21 6.802 11.085 -4.333
426 H LYS 22 H LYS 22 8.751 4.904 -0.971
427 HA LYS 22 HA LYS 22 11.438 5.918 -1.412
428 1HB LYS 22 1HB LYS 22 11.907 4.838 0.799
429 2HB LYS 22 2HB LYS 22 10.658 6.076 0.830
430 1HG LYS 22 1HG LYS 22 9.156 4.647 1.611
431 2HG LYS 22 2HG LYS 22 9.513 3.484 0.334
432 1HD LYS 22 1HD LYS 22 9.963 2.405 2.404
433 2HD LYS 22 2HD LYS 22 11.523 2.785 1.671
434 1HE LYS 22 1HE LYS 22 11.333 3.268 4.133
435 2HE LYS 22 2HE LYS 22 11.865 4.618 3.131
436 1HZ LYS 22 1HZ LYS 22 8.999 4.387 3.612
437 2HZ LYS 22 2HZ LYS 22 9.953 4.846 4.933
438 3HZ LYS 22 3HZ LYS 22 9.972 5.767 3.514
439 H VAL 23 H VAL 23 9.792 3.176 -2.425
440 HA VAL 23 HA VAL 23 11.361 1.002 -1.972
441 HB VAL 23 HB VAL 23 10.371 1.666 -4.744
442 1HG1 VAL 23 1HG1 VAL 23 11.885 -0.399 -4.097
443 2HG1 VAL 23 2HG1 VAL 23 10.342 -1.061 -3.556
444 3HG1 VAL 23 3HG1 VAL 23 10.547 -0.561 -5.235
445 1HG2 VAL 23 1HG2 VAL 23 8.895 0.811 -2.296
446 2HG2 VAL 23 2HG2 VAL 23 8.440 1.976 -3.536
447 3HG2 VAL 23 3HG2 VAL 23 8.360 0.251 -3.880
448 H GLN 24 H GLN 24 11.860 3.044 -4.858
449 HA GLN 24 HA GLN 24 14.435 1.979 -5.381
450 1HB GLN 24 1HB GLN 24 13.508 4.666 -6.358
451 2HB GLN 24 2HB GLN 24 14.566 3.513 -7.158
452 1HG GLN 24 1HG GLN 24 12.478 1.981 -7.166
453 2HG GLN 24 2HG GLN 24 11.593 3.481 -6.896
454 1HE2 GLN 24 2HE2 GLN 24 13.172 5.208 -8.405
455 2HE2 GLN 24 1HE2 GLN 24 12.998 4.801 -10.075
456 H ALA 25 H ALA 25 13.269 4.704 -3.531
457 HA ALA 25 HA ALA 25 15.684 6.116 -3.260
458 1HB ALA 25 1HB ALA 25 13.443 7.004 -2.669
459 2HB ALA 25 2HB ALA 25 13.442 5.958 -1.249
460 3HB ALA 25 3HB ALA 25 14.645 7.239 -1.401
461 H LEU 26 H LEU 26 14.409 3.306 -1.621
462 HA LEU 26 HA LEU 26 16.229 3.321 0.563
463 1HB LEU 26 1HB LEU 26 14.522 1.173 -0.677
464 2HB LEU 26 2HB LEU 26 15.573 0.855 0.690
465 HG LEU 26 HG LEU 26 13.187 2.692 0.607
466 1HD1 LEU 26 1HD1 LEU 26 13.824 0.093 1.951
467 2HD1 LEU 26 2HD1 LEU 26 12.578 1.172 2.578
468 3HD1 LEU 26 3HD1 LEU 26 12.438 0.514 0.947
469 1HD2 LEU 26 1HD2 LEU 26 15.480 2.570 2.487
470 2HD2 LEU 26 2HD2 LEU 26 14.484 3.942 2.001
471 3HD2 LEU 26 3HD2 LEU 26 13.866 2.774 3.169
472 H ARG 27 H ARG 27 16.082 1.119 -2.242
473 HA ARG 27 HA ARG 27 18.560 -0.067 -1.903
474 1HB ARG 27 1HB ARG 27 18.459 -0.411 -4.443
475 2HB ARG 27 2HB ARG 27 17.152 -1.079 -3.477
476 1HG ARG 27 1HG ARG 27 16.265 1.459 -4.128
477 2HG ARG 27 2HG ARG 27 17.082 0.900 -5.588
478 1HD ARG 27 1HD ARG 27 15.670 -1.314 -4.869
479 2HD ARG 27 2HD ARG 27 14.590 -0.023 -4.345
480 HE ARG 27 HE ARG 27 15.248 0.731 -6.848
481 1HH1 ARG 27 1HH1 ARG 27 14.055 -2.269 -5.523
482 2HH1 ARG 27 2HH1 ARG 27 13.225 -2.725 -6.973
483 1HH2 ARG 27 1HH2 ARG 27 14.158 0.133 -8.757
484 2HH2 ARG 27 2HH2 ARG 27 13.285 -1.361 -8.809
485 H HIS 28 H HIS 28 17.745 2.909 -3.633
486 HA HIS 28 HA HIS 28 20.261 3.393 -4.768
487 1HB HIS 28 1HB HIS 28 17.973 4.580 -5.148
488 2HB HIS 28 2HB HIS 28 18.491 5.630 -3.834
489 HD1 HIS 28 HD1 HIS 28 18.401 5.739 -7.310
490 HD2 HIS 28 HD2 HIS 28 21.419 6.424 -4.539
491 HE1 HIS 28 HE1 HIS 28 20.129 7.166 -8.481
492 H LYS 29 H LYS 29 18.862 4.635 -1.734
493 HA LYS 29 HA LYS 29 21.282 5.928 -0.939
494 1HB LYS 29 1HB LYS 29 18.679 6.154 -0.181
495 2HB LYS 29 2HB LYS 29 19.334 5.228 1.163
496 1HG LYS 29 1HG LYS 29 20.984 6.935 1.589
497 2HG LYS 29 2HG LYS 29 20.453 7.842 0.172
498 1HD LYS 29 1HD LYS 29 18.377 8.370 1.164
499 2HD LYS 29 2HD LYS 29 18.596 7.170 2.440
500 1HE LYS 29 1HE LYS 29 19.038 9.214 3.487
501 2HE LYS 29 2HE LYS 29 20.633 8.551 3.135
502 1HZ LYS 29 1HZ LYS 29 19.215 10.593 1.509
503 2HZ LYS 29 2HZ LYS 29 20.500 10.895 2.567
504 3HZ LYS 29 3HZ LYS 29 20.749 9.962 1.178
505 H GLY 30 H GLY 30 22.994 4.553 -0.786
506 1HA GLY 30 1HA GLY 30 23.734 3.275 1.432
507 2HA GLY 30 2HA GLY 30 22.723 2.051 0.679
508 1HN NH2 31 1HN NH2 31 25.212 4.326 -0.449
509 2HN NH2 31 2HN NH2 31 26.149 3.145 -1.293
Start of MODEL 19
1 1H ACE 0 1H ACE 0 -16.532 5.409 -8.657
2 2H ACE 0 2H ACE 0 -16.311 3.680 -8.925
3 3H ACE 0 3H ACE 0 -15.356 4.510 -7.697
4 H GLU 1 H GLU 1 -17.755 2.385 -7.983
5 HA GLU 1 HA GLU 1 -19.550 3.473 -5.971
6 1HB GLU 1 1HB GLU 1 -19.988 1.845 -8.108
7 2HB GLU 1 2HB GLU 1 -19.876 0.665 -6.809
8 1HG GLU 1 1HG GLU 1 -21.526 2.445 -5.665
9 2HG GLU 1 2HG GLU 1 -21.940 2.692 -7.360
10 H VAL 2 H VAL 2 -20.267 1.705 -4.288
11 HA VAL 2 HA VAL 2 -18.102 1.338 -2.520
12 HB VAL 2 HB VAL 2 -20.889 0.200 -2.556
13 1HG1 VAL 2 1HG1 VAL 2 -18.765 -0.123 -0.433
14 2HG1 VAL 2 2HG1 VAL 2 -20.477 -0.468 -0.189
15 3HG1 VAL 2 3HG1 VAL 2 -19.548 -1.402 -1.361
16 1HG2 VAL 2 1HG2 VAL 2 -19.508 2.453 -1.101
17 2HG2 VAL 2 2HG2 VAL 2 -20.952 2.523 -2.110
18 3HG2 VAL 2 3HG2 VAL 2 -21.026 1.775 -0.516
19 H ALA 3 H ALA 3 -19.789 -0.821 -4.721
20 HA ALA 3 HA ALA 3 -18.544 -3.216 -3.991
21 1HB ALA 3 1HB ALA 3 -20.505 -2.783 -5.595
22 2HB ALA 3 2HB ALA 3 -19.258 -2.551 -6.821
23 3HB ALA 3 3HB ALA 3 -19.387 -4.094 -5.974
24 H GLN 4 H GLN 4 -17.530 -0.514 -5.955
25 HA GLN 4 HA GLN 4 -15.218 -1.769 -7.069
26 1HB GLN 4 1HB GLN 4 -16.310 1.001 -6.957
27 2HB GLN 4 2HB GLN 4 -14.592 0.821 -7.280
28 1HG GLN 4 1HG GLN 4 -16.700 -0.620 -8.857
29 2HG GLN 4 2HG GLN 4 -16.108 0.983 -9.287
30 1HE2 GLN 4 2HE2 GLN 4 -14.572 0.989 -10.748
31 2HE2 GLN 4 1HE2 GLN 4 -13.416 -0.264 -11.025
32 H LEU 5 H LEU 5 -15.907 0.201 -4.223
33 HA LEU 5 HA LEU 5 -13.359 0.785 -3.333
34 1HB LEU 5 1HB LEU 5 -15.952 0.259 -1.974
35 2HB LEU 5 2HB LEU 5 -14.515 0.246 -0.981
36 HG LEU 5 HG LEU 5 -15.584 2.582 -2.577
37 1HD1 LEU 5 1HD1 LEU 5 -15.575 1.753 0.260
38 2HD1 LEU 5 2HD1 LEU 5 -15.419 3.458 -0.118
39 3HD1 LEU 5 3HD1 LEU 5 -16.823 2.566 -0.681
40 1HD2 LEU 5 1HD2 LEU 5 -13.042 2.320 -2.547
41 2HD2 LEU 5 2HD2 LEU 5 -13.709 3.836 -1.951
42 3HD2 LEU 5 3HD2 LEU 5 -13.159 2.607 -0.813
43 H GLU 6 H GLU 6 -15.260 -2.160 -2.826
44 HA GLU 6 HA GLU 6 -13.522 -3.614 -1.232
45 1HB GLU 6 1HB GLU 6 -15.693 -4.233 -3.121
46 2HB GLU 6 2HB GLU 6 -14.541 -5.539 -2.896
47 1HG GLU 6 1HG GLU 6 -15.023 -4.753 -0.324
48 2HG GLU 6 2HG GLU 6 -16.590 -4.505 -1.091
49 H LYS 7 H LYS 7 -13.670 -3.346 -4.741
50 HA LYS 7 HA LYS 7 -11.512 -5.083 -5.262
51 1HB LYS 7 1HB LYS 7 -12.917 -2.968 -6.877
52 2HB LYS 7 2HB LYS 7 -11.529 -3.835 -7.519
53 1HG LYS 7 1HG LYS 7 -13.415 -4.978 -8.323
54 2HG LYS 7 2HG LYS 7 -12.791 -5.968 -7.004
55 1HD LYS 7 1HD LYS 7 -14.473 -4.902 -5.505
56 2HD LYS 7 2HD LYS 7 -15.164 -4.098 -6.919
57 1HE LYS 7 1HE LYS 7 -15.036 -6.707 -7.733
58 2HE LYS 7 2HE LYS 7 -15.403 -6.873 -6.017
59 1HZ LYS 7 1HZ LYS 7 -17.140 -5.001 -6.643
60 2HZ LYS 7 2HZ LYS 7 -17.023 -5.739 -8.161
61 3HZ LYS 7 3HZ LYS 7 -17.494 -6.648 -6.814
62 H GLU 8 H GLU 8 -11.735 -1.749 -4.367
63 HA GLU 8 HA GLU 8 -9.122 -0.976 -5.202
64 1HB GLU 8 1HB GLU 8 -11.073 0.566 -4.668
65 2HB GLU 8 2HB GLU 8 -10.720 0.275 -2.973
66 1HG GLU 8 1HG GLU 8 -9.083 1.764 -2.984
67 2HG GLU 8 2HG GLU 8 -8.332 1.017 -4.394
68 H VAL 9 H VAL 9 -10.411 -2.748 -2.557
69 HA VAL 9 HA VAL 9 -8.238 -2.305 -0.737
70 HB VAL 9 HB VAL 9 -10.278 -4.535 -0.725
71 1HG1 VAL 9 1HG1 VAL 9 -8.001 -4.362 0.750
72 2HG1 VAL 9 2HG1 VAL 9 -9.161 -3.550 1.802
73 3HG1 VAL 9 3HG1 VAL 9 -9.467 -5.200 1.260
74 1HG2 VAL 9 1HG2 VAL 9 -10.798 -1.844 -0.504
75 2HG2 VAL 9 2HG2 VAL 9 -11.814 -3.146 0.113
76 3HG2 VAL 9 3HG2 VAL 9 -10.648 -2.358 1.176
77 H ALA 10 H ALA 10 -9.321 -5.175 -2.568
78 HA ALA 10 HA ALA 10 -7.127 -6.797 -2.106
79 1HB ALA 10 1HB ALA 10 -9.385 -7.164 -3.451
80 2HB ALA 10 2HB ALA 10 -8.326 -6.849 -4.825
81 3HB ALA 10 3HB ALA 10 -7.967 -8.177 -3.721
82 H GLN 11 H GLN 11 -7.494 -4.065 -4.220
83 HA GLN 11 HA GLN 11 -5.293 -4.466 -5.915
84 1HB GLN 11 1HB GLN 11 -6.965 -2.804 -6.435
85 2HB GLN 11 2HB GLN 11 -6.617 -1.925 -4.954
86 1HG GLN 11 1HG GLN 11 -4.465 -2.336 -6.982
87 2HG GLN 11 2HG GLN 11 -5.681 -1.083 -7.224
88 1HE2 GLN 11 2HE2 GLN 11 -5.823 0.618 -5.702
89 2HE2 GLN 11 1HE2 GLN 11 -4.475 1.036 -4.707
90 H LEU 12 H LEU 12 -5.533 -2.447 -2.965
91 HA LEU 12 HA LEU 12 -2.727 -1.964 -2.864
92 1HB LEU 12 1HB LEU 12 -4.820 -1.683 -0.704
93 2HB LEU 12 2HB LEU 12 -3.179 -1.080 -0.602
94 HG LEU 12 HG LEU 12 -5.113 -0.173 -2.726
95 1HD1 LEU 12 1HD1 LEU 12 -4.507 1.108 -0.067
96 2HD1 LEU 12 2HD1 LEU 12 -5.470 1.822 -1.361
97 3HD1 LEU 12 3HD1 LEU 12 -6.034 0.368 -0.538
98 1HD2 LEU 12 1HD2 LEU 12 -2.418 0.734 -1.766
99 2HD2 LEU 12 2HD2 LEU 12 -2.925 0.315 -3.403
100 3HD2 LEU 12 3HD2 LEU 12 -3.497 1.807 -2.657
101 H GLU 13 H GLU 13 -4.848 -4.403 -1.532
102 HA GLU 13 HA GLU 13 -3.156 -5.443 0.443
103 1HB GLU 13 1HB GLU 13 -5.356 -6.646 -1.217
104 2HB GLU 13 2HB GLU 13 -4.448 -7.626 -0.073
105 1HG GLU 13 1HG GLU 13 -5.143 -6.219 1.753
106 2HG GLU 13 2HG GLU 13 -5.951 -5.117 0.640
107 H ALA 14 H ALA 14 -3.075 -5.694 -3.008
108 HA ALA 14 HA ALA 14 -1.190 -7.912 -2.973
109 1HB ALA 14 1HB ALA 14 -2.429 -6.340 -5.226
110 2HB ALA 14 2HB ALA 14 -1.250 -7.630 -5.459
111 3HB ALA 14 3HB ALA 14 -2.813 -7.986 -4.724
112 H GLU 15 H GLU 15 -1.270 -4.445 -3.548
113 HA GLU 15 HA GLU 15 1.509 -4.336 -4.339
114 1HB GLU 15 1HB GLU 15 -0.258 -2.779 -5.224
115 2HB GLU 15 2HB GLU 15 -0.323 -2.041 -3.629
116 1HG GLU 15 1HG GLU 15 1.053 -0.708 -5.069
117 2HG GLU 15 2HG GLU 15 2.061 -1.457 -3.833
118 H ASN 16 H ASN 16 -0.379 -2.962 -1.636
119 HA ASN 16 HA ASN 16 1.654 -1.973 -0.088
120 1HB ASN 16 1HB ASN 16 -0.698 -1.669 0.473
121 2HB ASN 16 2HB ASN 16 -0.862 -3.384 0.828
122 1HD2 ASN 16 2HD2 ASN 16 -1.691 -2.448 2.856
123 2HD2 ASN 16 1HD2 ASN 16 -0.561 -2.108 4.115
124 H TYR 17 H TYR 17 0.728 -5.305 -0.557
125 HA TYR 17 HA TYR 17 2.402 -6.291 1.582
126 1HB TYR 17 1HB TYR 17 0.640 -7.737 1.337
127 2HB TYR 17 2HB TYR 17 0.515 -7.464 -0.395
128 HD1 TYR 17 HD1 TYR 17 2.356 -9.317 2.220
129 HD2 TYR 17 HD2 TYR 17 1.604 -8.901 -1.946
130 HE1 TYR 17 HE1 TYR 17 3.490 -11.460 1.806
131 HE2 TYR 17 HE2 TYR 17 2.734 -11.043 -2.372
132 HH TYR 17 HH TYR 17 3.173 -13.229 -0.841
133 H GLN 18 H GLN 18 2.521 -6.089 -1.942
134 HA GLN 18 HA GLN 18 4.825 -7.630 -2.354
135 1HB GLN 18 1HB GLN 18 3.114 -6.608 -4.045
136 2HB GLN 18 2HB GLN 18 4.218 -5.241 -4.057
137 1HG GLN 18 1HG GLN 18 5.179 -8.032 -4.562
138 2HG GLN 18 2HG GLN 18 4.499 -7.037 -5.849
139 1HE2 GLN 18 2HE2 GLN 18 5.523 -4.943 -6.223
140 2HE2 GLN 18 1HE2 GLN 18 7.227 -4.793 -5.977
141 H LEU 19 H LEU 19 4.426 -4.359 -1.231
142 HA LEU 19 HA LEU 19 7.243 -3.745 -1.602
143 1HB LEU 19 1HB LEU 19 5.012 -2.119 -0.393
144 2HB LEU 19 2HB LEU 19 6.647 -1.546 -0.651
145 HG LEU 19 HG LEU 19 4.632 -2.291 -2.770
146 1HD1 LEU 19 1HD1 LEU 19 5.082 0.097 -1.402
147 2HD1 LEU 19 2HD1 LEU 19 5.864 0.307 -2.968
148 3HD1 LEU 19 3HD1 LEU 19 4.157 -0.126 -2.886
149 1HD2 LEU 19 1HD2 LEU 19 7.572 -1.991 -2.879
150 2HD2 LEU 19 2HD2 LEU 19 6.489 -2.949 -3.888
151 3HD2 LEU 19 3HD2 LEU 19 6.645 -1.214 -4.163
152 H GLU 20 H GLU 20 4.943 -3.927 1.118
153 HA GLU 20 HA GLU 20 6.633 -3.463 3.221
154 1HB GLU 20 1HB GLU 20 4.064 -4.153 3.060
155 2HB GLU 20 2HB GLU 20 4.715 -5.713 3.543
156 1HG GLU 20 1HG GLU 20 4.962 -3.110 5.027
157 2HG GLU 20 2HG GLU 20 4.005 -4.515 5.490
158 H GLN 21 H GLN 21 6.488 -6.296 1.204
159 HA GLN 21 HA GLN 21 8.234 -7.803 2.986
160 1HB GLN 21 1HB GLN 21 6.233 -8.538 1.207
161 2HB GLN 21 2HB GLN 21 7.715 -9.008 0.387
162 1HG GLN 21 1HG GLN 21 7.320 -10.905 1.562
163 2HG GLN 21 2HG GLN 21 8.286 -10.031 2.750
164 1HE2 GLN 21 2HE2 GLN 21 7.035 -8.711 4.320
165 2HE2 GLN 21 1HE2 GLN 21 5.548 -9.362 4.909
166 H GLU 22 H GLU 22 8.350 -5.980 0.021
167 HA GLU 22 HA GLU 22 10.976 -6.954 -0.706
168 1HB GLU 22 1HB GLU 22 9.155 -6.213 -2.338
169 2HB GLU 22 2HB GLU 22 9.562 -4.565 -1.879
170 1HG GLU 22 1HG GLU 22 10.993 -4.662 -3.584
171 2HG GLU 22 2HG GLU 22 12.012 -5.576 -2.472
172 H VAL 23 H VAL 23 9.571 -4.164 0.876
173 HA VAL 23 HA VAL 23 11.810 -2.467 0.815
174 HB VAL 23 HB VAL 23 9.734 -2.584 3.004
175 1HG1 VAL 23 1HG1 VAL 23 11.949 -1.122 3.029
176 2HG1 VAL 23 2HG1 VAL 23 10.953 -0.060 2.034
177 3HG1 VAL 23 3HG1 VAL 23 10.416 -0.512 3.651
178 1HG2 VAL 23 1HG2 VAL 23 9.218 -2.255 0.309
179 2HG2 VAL 23 2HG2 VAL 23 8.175 -1.752 1.640
180 3HG2 VAL 23 3HG2 VAL 23 9.305 -0.603 0.921
181 H ALA 24 H ALA 24 10.925 -5.119 2.920
182 HA ALA 24 HA ALA 24 12.719 -4.630 5.022
183 1HB ALA 24 1HB ALA 24 11.171 -6.950 4.047
184 2HB ALA 24 2HB ALA 24 12.556 -7.306 5.079
185 3HB ALA 24 3HB ALA 24 11.272 -6.247 5.662
186 H GLN 25 H GLN 25 13.180 -5.951 1.839
187 HA GLN 25 HA GLN 25 15.861 -6.900 2.486
188 1HB GLN 25 1HB GLN 25 14.192 -7.058 -0.024
189 2HB GLN 25 2HB GLN 25 15.857 -7.617 0.063
190 1HG GLN 25 1HG GLN 25 14.919 -8.977 2.122
191 2HG GLN 25 2HG GLN 25 13.399 -8.774 1.252
192 1HE2 GLN 25 2HE2 GLN 25 14.697 -11.236 1.744
193 2HE2 GLN 25 1HE2 GLN 25 15.137 -11.917 0.218
194 H LEU 26 H LEU 26 14.236 -4.348 0.707
195 HA LEU 26 HA LEU 26 16.384 -3.348 -0.763
196 1HB LEU 26 1HB LEU 26 14.029 -1.912 0.460
197 2HB LEU 26 2HB LEU 26 15.147 -1.166 -0.665
198 HG LEU 26 HG LEU 26 13.565 -3.631 -1.363
199 1HD1 LEU 26 1HD1 LEU 26 12.338 -1.327 -0.739
200 2HD1 LEU 26 2HD1 LEU 26 12.724 -1.017 -2.432
201 3HD1 LEU 26 3HD1 LEU 26 11.764 -2.429 -1.991
202 1HD2 LEU 26 1HD2 LEU 26 15.709 -2.617 -2.603
203 2HD2 LEU 26 2HD2 LEU 26 14.382 -3.404 -3.459
204 3HD2 LEU 26 3HD2 LEU 26 14.449 -1.644 -3.362
205 H GLU 27 H GLU 27 15.191 -2.199 2.400
206 HA GLU 27 HA GLU 27 17.675 -0.742 2.814
207 1HB GLU 27 1HB GLU 27 16.555 0.078 4.878
208 2HB GLU 27 2HB GLU 27 15.650 0.419 3.410
209 1HG GLU 27 1HG GLU 27 13.887 -0.715 4.128
210 2HG GLU 27 2HG GLU 27 14.872 -2.112 4.561
211 H HIS 28 H HIS 28 18.332 -3.315 2.700
212 HA HIS 28 HA HIS 28 18.287 -4.533 5.322
213 1HB HIS 28 1HB HIS 28 18.168 -5.829 3.156
214 2HB HIS 28 2HB HIS 28 19.862 -5.423 2.902
215 HD1 HIS 28 HD1 HIS 28 18.182 -8.260 3.760
216 HD2 HIS 28 HD2 HIS 28 21.125 -6.111 5.753
217 HE1 HIS 28 HE1 HIS 28 19.268 -9.875 5.376
218 H GLU 29 H GLU 29 20.894 -3.537 3.095
219 HA GLU 29 HA GLU 29 22.817 -3.530 5.249
220 1HB GLU 29 1HB GLU 29 23.153 -4.113 2.704
221 2HB GLU 29 2HB GLU 29 23.392 -2.378 2.550
222 1HG GLU 29 1HG GLU 29 24.907 -3.714 4.696
223 2HG GLU 29 2HG GLU 29 25.368 -4.115 3.043
224 H GLY 30 H GLY 30 20.920 -1.203 3.462
225 1HA GLY 30 1HA GLY 30 22.380 1.089 4.404
226 2HA GLY 30 2HA GLY 30 20.843 1.109 3.553
227 1HN NH2 31 1HN NH2 31 22.181 2.092 6.274
228 2HN NH2 31 2HN NH2 31 20.858 1.947 7.375
229 1H ACE 0 1H ACE 0 -20.631 4.120 -4.348
230 2H ACE 0 2H ACE 0 -19.721 5.485 -4.993
231 3H ACE 0 3H ACE 0 -20.618 5.657 -3.485
232 H GLU 1 H GLU 1 -18.063 6.368 -3.341
233 HA GLU 1 HA GLU 1 -16.440 4.126 -2.420
234 1HB GLU 1 1HB GLU 1 -15.349 6.741 -1.842
235 2HB GLU 1 2HB GLU 1 -14.647 5.440 -2.816
236 1HG GLU 1 1HG GLU 1 -16.137 6.230 -4.707
237 2HG GLU 1 2HG GLU 1 -16.470 7.653 -3.719
238 H VAL 2 H VAL 2 -18.854 5.758 -1.168
239 HA VAL 2 HA VAL 2 -18.326 6.920 1.086
240 HB VAL 2 HB VAL 2 -20.537 6.198 0.709
241 1HG1 VAL 2 1HG1 VAL 2 -19.191 3.638 0.399
242 2HG1 VAL 2 2HG1 VAL 2 -20.696 3.523 1.310
243 3HG1 VAL 2 3HG1 VAL 2 -20.697 4.216 -0.312
244 1HG2 VAL 2 1HG2 VAL 2 -19.338 5.998 3.199
245 2HG2 VAL 2 2HG2 VAL 2 -21.069 6.084 2.875
246 3HG2 VAL 2 3HG2 VAL 2 -20.283 4.517 3.057
247 H GLN 3 H GLN 3 -16.858 6.802 2.470
248 HA GLN 3 HA GLN 3 -14.859 5.154 2.977
249 1HB GLN 3 1HB GLN 3 -16.291 7.071 4.552
250 2HB GLN 3 2HB GLN 3 -15.829 5.723 5.580
251 1HG GLN 3 1HG GLN 3 -13.806 6.590 5.747
252 2HG GLN 3 2HG GLN 3 -13.575 6.324 4.021
253 1HE2 GLN 3 2HE2 GLN 3 -15.697 8.562 5.755
254 2HE2 GLN 3 1HE2 GLN 3 -15.043 10.000 5.056
255 H ALA 4 H ALA 4 -17.879 4.086 2.795
256 HA ALA 4 HA ALA 4 -18.456 2.275 4.767
257 1HB ALA 4 1HB ALA 4 -18.758 2.111 1.760
258 2HB ALA 4 2HB ALA 4 -19.476 0.932 2.855
259 3HB ALA 4 3HB ALA 4 -19.972 2.622 2.930
260 H LEU 5 H LEU 5 -16.498 1.900 1.924
261 HA LEU 5 HA LEU 5 -14.979 -0.262 3.231
262 1HB LEU 5 1HB LEU 5 -16.097 -0.055 0.488
263 2HB LEU 5 2HB LEU 5 -14.522 -0.786 0.658
264 HG LEU 5 HG LEU 5 -16.822 -1.753 2.322
265 1HD1 LEU 5 1HD1 LEU 5 -16.241 -2.471 -0.542
266 2HD1 LEU 5 2HD1 LEU 5 -17.213 -3.468 0.539
267 3HD1 LEU 5 3HD1 LEU 5 -17.742 -1.836 0.132
268 1HD2 LEU 5 1HD2 LEU 5 -14.450 -2.463 2.741
269 2HD2 LEU 5 2HD2 LEU 5 -15.585 -3.776 2.428
270 3HD2 LEU 5 3HD2 LEU 5 -14.481 -3.243 1.159
271 H LYS 6 H LYS 6 -15.069 2.834 1.972
272 HA LYS 6 HA LYS 6 -12.399 2.956 0.923
273 1HB LYS 6 1HB LYS 6 -13.804 4.399 -0.127
274 2HB LYS 6 2HB LYS 6 -14.765 4.658 1.299
275 1HG LYS 6 1HG LYS 6 -13.364 6.357 2.059
276 2HG LYS 6 2HG LYS 6 -12.046 5.862 0.981
277 1HD LYS 6 1HD LYS 6 -12.895 7.598 -0.253
278 2HD LYS 6 2HD LYS 6 -13.889 6.262 -0.870
279 1HE LYS 6 1HE LYS 6 -15.271 8.210 -0.368
280 2HE LYS 6 2HE LYS 6 -15.681 6.872 0.711
281 1HZ LYS 6 1HZ LYS 6 -13.710 8.322 1.999
282 2HZ LYS 6 2HZ LYS 6 -14.759 9.481 1.353
283 3HZ LYS 6 3HZ LYS 6 -15.357 8.275 2.378
284 H LYS 7 H LYS 7 -13.928 3.223 4.010
285 HA LYS 7 HA LYS 7 -11.808 4.788 5.205
286 1HB LYS 7 1HB LYS 7 -12.984 4.592 7.239
287 2HB LYS 7 2HB LYS 7 -14.236 4.691 6.014
288 1HG LYS 7 1HG LYS 7 -14.108 2.075 6.115
289 2HG LYS 7 2HG LYS 7 -13.424 2.392 7.712
290 1HD LYS 7 1HD LYS 7 -15.921 3.811 6.912
291 2HD LYS 7 2HD LYS 7 -16.023 2.108 7.371
292 1HE LYS 7 1HE LYS 7 -15.455 2.517 9.544
293 2HE LYS 7 2HE LYS 7 -14.485 3.931 9.138
294 1HZ LYS 7 1HZ LYS 7 -17.400 4.031 8.771
295 2HZ LYS 7 2HZ LYS 7 -16.758 4.213 10.325
296 3HZ LYS 7 3HZ LYS 7 -16.318 5.288 9.097
297 H ARG 8 H ARG 8 -12.410 1.517 4.416
298 HA ARG 8 HA ARG 8 -10.480 0.459 6.307
299 1HB ARG 8 1HB ARG 8 -11.261 -1.662 5.731
300 2HB ARG 8 2HB ARG 8 -12.697 -0.660 5.613
301 1HG ARG 8 1HG ARG 8 -13.014 -1.327 3.522
302 2HG ARG 8 2HG ARG 8 -11.428 -0.704 3.063
303 1HD ARG 8 1HD ARG 8 -10.399 -2.738 3.298
304 2HD ARG 8 2HD ARG 8 -11.556 -3.302 4.502
305 HE ARG 8 HE ARG 8 -12.651 -2.965 1.858
306 1HH1 ARG 8 1HH1 ARG 8 -11.053 -5.150 4.061
307 2HH1 ARG 8 2HH1 ARG 8 -11.605 -6.574 3.247
308 1HH2 ARG 8 1HH2 ARG 8 -13.377 -4.841 0.784
309 2HH2 ARG 8 2HH2 ARG 8 -12.923 -6.400 1.389
310 H VAL 9 H VAL 9 -10.716 1.298 2.928
311 HA VAL 9 HA VAL 9 -8.472 -0.119 1.971
312 HB VAL 9 HB VAL 9 -9.653 2.480 0.964
313 1HG1 VAL 9 1HG1 VAL 9 -7.287 1.924 0.219
314 2HG1 VAL 9 2HG1 VAL 9 -7.990 0.538 -0.617
315 3HG1 VAL 9 3HG1 VAL 9 -8.479 2.174 -1.056
316 1HG2 VAL 9 1HG2 VAL 9 -10.857 0.028 1.059
317 2HG2 VAL 9 2HG2 VAL 9 -11.244 1.308 -0.091
318 3HG2 VAL 9 3HG2 VAL 9 -10.127 0.022 -0.547
319 H GLN 10 H GLN 10 -8.819 2.920 3.659
320 HA GLN 10 HA GLN 10 -6.320 4.053 3.118
321 1HB GLN 10 1HB GLN 10 -7.729 4.311 5.767
322 2HB GLN 10 2HB GLN 10 -6.714 5.493 4.954
323 1HG GLN 10 1HG GLN 10 -8.691 5.142 3.127
324 2HG GLN 10 2HG GLN 10 -9.566 4.915 4.641
325 1HE2 GLN 10 2HE2 GLN 10 -9.360 6.614 6.255
326 2HE2 GLN 10 1HE2 GLN 10 -9.169 8.248 5.731
327 H ALA 11 H ALA 11 -7.185 1.352 5.078
328 HA ALA 11 HA ALA 11 -4.825 1.431 6.728
329 1HB ALA 11 1HB ALA 11 -6.889 -0.728 6.332
330 2HB ALA 11 2HB ALA 11 -5.600 -0.765 7.534
331 3HB ALA 11 3HB ALA 11 -6.853 0.474 7.621
332 H LEU 12 H LEU 12 -5.115 0.823 3.536
333 HA LEU 12 HA LEU 12 -3.075 -1.303 3.573
334 1HB LEU 12 1HB LEU 12 -4.530 -0.644 1.065
335 2HB LEU 12 2HB LEU 12 -3.902 -2.179 1.618
336 HG LEU 12 HG LEU 12 -6.238 -1.005 3.057
337 1HD1 LEU 12 1HD1 LEU 12 -6.342 -2.359 0.374
338 2HD1 LEU 12 2HD1 LEU 12 -7.727 -2.191 1.452
339 3HD1 LEU 12 3HD1 LEU 12 -6.942 -0.755 0.796
340 1HD2 LEU 12 1HD2 LEU 12 -5.001 -3.670 2.624
341 2HD2 LEU 12 2HD2 LEU 12 -5.648 -2.947 4.096
342 3HD2 LEU 12 3HD2 LEU 12 -6.745 -3.593 2.876
343 H LYS 13 H LYS 13 -4.093 1.602 1.796
344 HA LYS 13 HA LYS 13 -1.537 1.885 0.517
345 1HB LYS 13 1HB LYS 13 -2.492 4.035 -0.324
346 2HB LYS 13 2HB LYS 13 -3.450 2.614 -0.711
347 1HG LYS 13 1HG LYS 13 -5.179 3.793 0.055
348 2HG LYS 13 2HG LYS 13 -4.548 3.424 1.661
349 1HD LYS 13 1HD LYS 13 -4.324 5.610 2.002
350 2HD LYS 13 2HD LYS 13 -3.066 5.612 0.765
351 1HE LYS 13 1HE LYS 13 -5.292 5.670 -0.773
352 2HE LYS 13 2HE LYS 13 -5.851 6.559 0.643
353 1HZ LYS 13 1HZ LYS 13 -3.689 7.868 0.369
354 2HZ LYS 13 2HZ LYS 13 -3.639 7.223 -1.193
355 3HZ LYS 13 3HZ LYS 13 -4.947 8.184 -0.718
356 H ALA 14 H ALA 14 -2.882 2.892 3.508
357 HA ALA 14 HA ALA 14 -1.569 5.296 3.987
358 1HB ALA 14 1HB ALA 14 -2.571 3.107 5.748
359 2HB ALA 14 2HB ALA 14 -1.601 4.404 6.447
360 3HB ALA 14 3HB ALA 14 -3.109 4.781 5.614
361 H ARG 15 H ARG 15 -0.498 2.080 5.108
362 HA ARG 15 HA ARG 15 2.117 2.998 5.759
363 1HB ARG 15 1HB ARG 15 0.937 1.025 6.800
364 2HB ARG 15 2HB ARG 15 1.249 0.141 5.313
365 1HG ARG 15 1HG ARG 15 2.878 -0.367 7.076
366 2HG ARG 15 2HG ARG 15 3.631 0.338 5.645
367 1HD ARG 15 1HD ARG 15 4.485 1.243 7.806
368 2HD ARG 15 2HD ARG 15 3.832 2.465 6.714
369 HE ARG 15 HE ARG 15 1.901 1.494 8.597
370 1HH1 ARG 15 1HH1 ARG 15 4.511 3.763 8.121
371 2HH1 ARG 15 2HH1 ARG 15 3.951 4.855 9.343
372 1HH2 ARG 15 1HH2 ARG 15 1.163 2.930 10.203
373 2HH2 ARG 15 2HH2 ARG 15 2.050 4.383 10.525
374 H ASN 16 H ASN 16 0.704 1.307 3.007
375 HA ASN 16 HA ASN 16 3.072 0.654 1.664
376 1HB ASN 16 1HB ASN 16 0.925 -0.300 1.023
377 2HB ASN 16 2HB ASN 16 0.332 1.286 0.545
378 1HD2 ASN 16 2HD2 ASN 16 -0.057 -0.105 -1.425
379 2HD2 ASN 16 1HD2 ASN 16 1.197 -0.123 -2.614
380 H TYR 17 H TYR 17 1.056 3.565 1.525
381 HA TYR 17 HA TYR 17 2.269 4.904 -0.561
382 1HB TYR 17 1HB TYR 17 0.254 5.728 0.554
383 2HB TYR 17 2HB TYR 17 1.184 6.082 2.006
384 HD1 TYR 17 HD1 TYR 17 2.985 7.856 1.882
385 HD2 TYR 17 HD2 TYR 17 0.111 7.289 -1.204
386 HE1 TYR 17 HE1 TYR 17 3.466 10.111 1.027
387 HE2 TYR 17 HE2 TYR 17 0.585 9.542 -2.069
388 HH TYR 17 HH TYR 17 2.595 11.166 -1.972
389 H ALA 18 H ALA 18 3.335 4.595 2.779
390 HA ALA 18 HA ALA 18 5.442 6.496 2.594
391 1HB ALA 18 1HB ALA 18 4.250 5.241 4.660
392 2HB ALA 18 2HB ALA 18 5.735 4.297 4.535
393 3HB ALA 18 3HB ALA 18 5.818 6.043 4.773
394 H LEU 19 H LEU 19 5.390 2.934 2.442
395 HA LEU 19 HA LEU 19 8.165 2.670 1.950
396 1HB LEU 19 1HB LEU 19 6.302 0.640 0.838
397 2HB LEU 19 2HB LEU 19 7.801 0.421 1.714
398 HG LEU 19 HG LEU 19 5.100 1.069 2.880
399 1HD1 LEU 19 1HD1 LEU 19 6.057 -1.335 2.169
400 2HD1 LEU 19 2HD1 LEU 19 6.717 -1.215 3.800
401 3HD1 LEU 19 3HD1 LEU 19 4.977 -1.081 3.540
402 1HD2 LEU 19 1HD2 LEU 19 7.603 1.873 3.864
403 2HD2 LEU 19 2HD2 LEU 19 6.056 1.885 4.711
404 3HD2 LEU 19 3HD2 LEU 19 7.118 0.483 4.835
405 H LYS 20 H LYS 20 5.355 2.558 -0.228
406 HA LYS 20 HA LYS 20 6.544 2.152 -2.650
407 1HB LYS 20 1HB LYS 20 4.047 2.809 -1.861
408 2HB LYS 20 2HB LYS 20 4.532 4.320 -2.616
409 1HG LYS 20 1HG LYS 20 4.901 3.259 -4.705
410 2HG LYS 20 2HG LYS 20 4.751 1.654 -3.988
411 1HD LYS 20 1HD LYS 20 2.372 2.869 -3.308
412 2HD LYS 20 2HD LYS 20 2.687 3.484 -4.933
413 1HE LYS 20 1HE LYS 20 2.397 0.631 -4.034
414 2HE LYS 20 2HE LYS 20 1.441 1.505 -5.230
415 1HZ LYS 20 1HZ LYS 20 3.841 1.689 -6.329
416 2HZ LYS 20 2HZ LYS 20 4.037 0.223 -5.506
417 3HZ LYS 20 3HZ LYS 20 2.791 0.400 -6.636
418 H GLN 21 H GLN 21 6.657 5.031 -0.696
419 HA GLN 21 HA GLN 21 7.728 6.697 -2.781
420 1HB GLN 21 1HB GLN 21 6.364 7.698 -1.055
421 2HB GLN 21 2HB GLN 21 7.454 7.117 0.195
422 1HG GLN 21 1HG GLN 21 8.534 9.041 0.072
423 2HG GLN 21 2HG GLN 21 9.044 8.607 -1.558
424 1HE2 GLN 21 2HE2 GLN 21 6.301 10.004 0.195
425 2HE2 GLN 21 1HE2 GLN 21 5.880 11.151 -1.027
426 H LYS 22 H LYS 22 9.023 5.025 0.067
427 HA LYS 22 HA LYS 22 11.713 5.940 -0.547
428 1HB LYS 22 1HB LYS 22 12.337 4.726 1.522
429 2HB LYS 22 2HB LYS 22 11.080 5.929 1.775
430 1HG LYS 22 1HG LYS 22 9.818 4.379 2.717
431 2HG LYS 22 2HG LYS 22 9.772 3.507 1.184
432 1HD LYS 22 1HD LYS 22 10.639 1.894 2.575
433 2HD LYS 22 2HD LYS 22 12.119 2.634 1.959
434 1HE LYS 22 1HE LYS 22 12.406 2.411 4.298
435 2HE LYS 22 2HE LYS 22 12.086 4.118 3.995
436 1HZ LYS 22 1HZ LYS 22 9.624 3.277 4.425
437 2HZ LYS 22 2HZ LYS 22 10.448 2.137 5.367
438 3HZ LYS 22 3HZ LYS 22 10.638 3.790 5.679
439 H VAL 23 H VAL 23 9.763 3.259 -1.329
440 HA VAL 23 HA VAL 23 11.408 1.081 -1.315
441 HB VAL 23 HB VAL 23 9.394 1.916 -3.396
442 1HG1 VAL 23 1HG1 VAL 23 10.910 -0.685 -3.204
443 2HG1 VAL 23 2HG1 VAL 23 9.456 -0.450 -4.174
444 3HG1 VAL 23 3HG1 VAL 23 10.921 0.459 -4.546
445 1HG2 VAL 23 1HG2 VAL 23 9.283 0.653 -0.810
446 2HG2 VAL 23 2HG2 VAL 23 7.969 1.219 -1.838
447 3HG2 VAL 23 3HG2 VAL 23 8.611 -0.407 -2.049
448 H GLN 24 H GLN 24 11.034 3.098 -4.242
449 HA GLN 24 HA GLN 24 13.292 2.084 -5.549
450 1HB GLN 24 1HB GLN 24 13.100 4.044 -7.024
451 2HB GLN 24 2HB GLN 24 11.540 3.284 -6.741
452 1HG GLN 24 1HG GLN 24 10.807 5.016 -5.370
453 2HG GLN 24 2HG GLN 24 12.442 5.620 -5.103
454 1HE2 GLN 24 2HE2 GLN 24 9.684 6.430 -6.485
455 2HE2 GLN 24 1HE2 GLN 24 10.242 7.333 -7.848
456 H ALA 25 H ALA 25 12.950 4.589 -3.156
457 HA ALA 25 HA ALA 25 15.448 5.862 -3.564
458 1HB ALA 25 1HB ALA 25 13.525 6.834 -2.306
459 2HB ALA 25 2HB ALA 25 13.888 5.718 -0.990
460 3HB ALA 25 3HB ALA 25 15.069 6.940 -1.461
461 H LEU 26 H LEU 26 14.406 3.152 -1.557
462 HA LEU 26 HA LEU 26 16.767 2.858 -0.060
463 1HB LEU 26 1HB LEU 26 14.652 0.868 -0.868
464 2HB LEU 26 2HB LEU 26 15.977 0.469 0.208
465 HG LEU 26 HG LEU 26 13.769 2.461 0.710
466 1HD1 LEU 26 1HD1 LEU 26 14.469 -0.242 1.792
467 2HD1 LEU 26 2HD1 LEU 26 13.514 0.900 2.738
468 3HD1 LEU 26 3HD1 LEU 26 12.926 0.345 1.170
469 1HD2 LEU 26 1HD2 LEU 26 16.421 2.112 1.979
470 2HD2 LEU 26 2HD2 LEU 26 15.416 3.554 1.824
471 3HD2 LEU 26 3HD2 LEU 26 15.041 2.345 3.053
472 H ARG 27 H ARG 27 15.672 0.915 -2.846
473 HA ARG 27 HA ARG 27 18.039 -0.488 -3.237
474 1HB ARG 27 1HB ARG 27 17.211 -0.717 -5.634
475 2HB ARG 27 2HB ARG 27 16.130 -1.278 -4.369
476 1HG ARG 27 1HG ARG 27 15.391 1.355 -4.717
477 2HG ARG 27 2HG ARG 27 15.760 0.806 -6.352
478 1HD ARG 27 1HD ARG 27 14.331 -1.297 -5.323
479 2HD ARG 27 2HD ARG 27 13.543 0.097 -4.585
480 HE ARG 27 HE ARG 27 13.711 0.810 -7.181
481 1HH1 ARG 27 1HH1 ARG 27 12.511 -2.054 -5.589
482 2HH1 ARG 27 2HH1 ARG 27 11.330 -2.390 -6.811
483 1HH2 ARG 27 1HH2 ARG 27 12.160 0.370 -8.789
484 2HH2 ARG 27 2HH2 ARG 27 11.131 -1.013 -8.628
485 H HIS 28 H HIS 28 17.142 2.738 -4.237
486 HA HIS 28 HA HIS 28 19.160 3.134 -6.169
487 1HB HIS 28 1HB HIS 28 17.127 4.583 -5.817
488 2HB HIS 28 2HB HIS 28 17.931 5.257 -4.403
489 HD1 HIS 28 HD1 HIS 28 18.468 7.597 -5.179
490 HD2 HIS 28 HD2 HIS 28 19.579 4.694 -7.935
491 HE1 HIS 28 HE1 HIS 28 19.753 8.799 -6.997
492 H LYS 29 H LYS 29 19.140 3.327 -2.684
493 HA LYS 29 HA LYS 29 21.736 4.605 -2.562
494 1HB LYS 29 1HB LYS 29 19.558 4.100 -0.736
495 2HB LYS 29 2HB LYS 29 21.081 3.581 -0.026
496 1HG LYS 29 1HG LYS 29 21.961 5.888 -0.738
497 2HG LYS 29 2HG LYS 29 20.257 6.316 -0.915
498 1HD LYS 29 1HD LYS 29 20.998 4.960 1.600
499 2HD LYS 29 2HD LYS 29 21.638 6.590 1.383
500 1HE LYS 29 1HE LYS 29 19.600 6.948 2.445
501 2HE LYS 29 2HE LYS 29 19.228 7.223 0.743
502 1HZ LYS 29 1HZ LYS 29 18.884 4.502 1.707
503 2HZ LYS 29 2HZ LYS 29 17.791 5.641 2.312
504 3HZ LYS 29 3HZ LYS 29 17.927 5.404 0.644
505 H GLY 30 H GLY 30 20.351 1.420 -1.811
506 1HA GLY 30 1HA GLY 30 22.855 0.145 -2.465
507 2HA GLY 30 2HA GLY 30 22.456 0.073 -0.756
508 1HN NH2 31 1HN NH2 31 21.681 -1.062 -3.927
509 2HN NH2 31 2HN NH2 31 20.563 -2.288 -3.449
Start of MODEL 20
1 1H ACE 0 1H ACE 0 -18.842 5.952 -5.569
2 2H ACE 0 2H ACE 0 -17.915 5.326 -4.205
3 3H ACE 0 3H ACE 0 -19.349 6.314 -3.918
4 H GLU 1 H GLU 1 -18.604 3.461 -5.935
5 HA GLU 1 HA GLU 1 -21.164 2.289 -5.219
6 1HB GLU 1 1HB GLU 1 -19.175 1.911 -7.367
7 2HB GLU 1 2HB GLU 1 -19.984 0.445 -6.830
8 1HG GLU 1 1HG GLU 1 -22.128 1.351 -7.354
9 2HG GLU 1 2HG GLU 1 -21.433 2.939 -7.679
10 H VAL 2 H VAL 2 -21.403 0.264 -4.271
11 HA VAL 2 HA VAL 2 -19.750 -0.332 -2.119
12 HB VAL 2 HB VAL 2 -21.554 -2.302 -3.525
13 1HG1 VAL 2 1HG1 VAL 2 -19.845 -2.787 -1.490
14 2HG1 VAL 2 2HG1 VAL 2 -21.283 -2.298 -0.594
15 3HG1 VAL 2 3HG1 VAL 2 -21.367 -3.647 -1.728
16 1HG2 VAL 2 1HG2 VAL 2 -22.150 0.079 -1.885
17 2HG2 VAL 2 2HG2 VAL 2 -23.116 -0.713 -3.129
18 3HG2 VAL 2 3HG2 VAL 2 -23.057 -1.383 -1.499
19 H ALA 3 H ALA 3 -19.932 -1.924 -5.296
20 HA ALA 3 HA ALA 3 -17.868 -3.798 -4.747
21 1HB ALA 3 1HB ALA 3 -19.362 -2.935 -7.168
22 2HB ALA 3 2HB ALA 3 -17.861 -3.834 -7.385
23 3HB ALA 3 3HB ALA 3 -19.184 -4.541 -6.460
24 H GLN 4 H GLN 4 -17.937 -0.582 -6.166
25 HA GLN 4 HA GLN 4 -15.393 -0.495 -7.288
26 1HB GLN 4 1HB GLN 4 -17.369 1.477 -6.350
27 2HB GLN 4 2HB GLN 4 -15.709 2.057 -6.378
28 1HG GLN 4 1HG GLN 4 -17.121 0.800 -8.719
29 2HG GLN 4 2HG GLN 4 -16.971 2.534 -8.447
30 1HE2 GLN 4 2HE2 GLN 4 -14.487 2.976 -7.750
31 2HE2 GLN 4 1HE2 GLN 4 -13.363 2.420 -8.939
32 H LEU 5 H LEU 5 -16.422 0.031 -3.957
33 HA LEU 5 HA LEU 5 -13.880 0.891 -3.011
34 1HB LEU 5 1HB LEU 5 -16.179 -0.326 -1.477
35 2HB LEU 5 2HB LEU 5 -14.820 0.534 -0.777
36 HG LEU 5 HG LEU 5 -16.766 1.810 -2.694
37 1HD1 LEU 5 1HD1 LEU 5 -16.882 1.429 0.256
38 2HD1 LEU 5 2HD1 LEU 5 -17.460 2.946 -0.433
39 3HD1 LEU 5 3HD1 LEU 5 -18.181 1.418 -0.938
40 1HD2 LEU 5 1HD2 LEU 5 -14.487 2.807 -2.437
41 2HD2 LEU 5 2HD2 LEU 5 -15.813 3.873 -1.973
42 3HD2 LEU 5 3HD2 LEU 5 -14.857 3.063 -0.732
43 H GLU 6 H GLU 6 -15.419 -2.215 -3.430
44 HA GLU 6 HA GLU 6 -13.728 -3.763 -1.801
45 1HB GLU 6 1HB GLU 6 -15.548 -4.314 -4.097
46 2HB GLU 6 2HB GLU 6 -14.409 -5.567 -3.628
47 1HG GLU 6 1HG GLU 6 -15.311 -5.497 -1.340
48 2HG GLU 6 2HG GLU 6 -16.485 -4.289 -1.862
49 H LYS 7 H LYS 7 -13.478 -2.745 -5.170
50 HA LYS 7 HA LYS 7 -11.111 -4.273 -5.683
51 1HB LYS 7 1HB LYS 7 -11.882 -1.878 -7.311
52 2HB LYS 7 2HB LYS 7 -11.155 -3.389 -7.837
53 1HG LYS 7 1HG LYS 7 -14.017 -2.937 -7.026
54 2HG LYS 7 2HG LYS 7 -13.404 -3.291 -8.640
55 1HD LYS 7 1HD LYS 7 -12.679 -5.255 -6.572
56 2HD LYS 7 2HD LYS 7 -14.403 -5.149 -6.936
57 1HE LYS 7 1HE LYS 7 -12.219 -5.542 -8.978
58 2HE LYS 7 2HE LYS 7 -13.227 -6.827 -8.315
59 1HZ LYS 7 1HZ LYS 7 -15.166 -5.435 -9.160
60 2HZ LYS 7 2HZ LYS 7 -14.022 -4.595 -10.080
61 3HZ LYS 7 3HZ LYS 7 -14.242 -6.257 -10.314
62 H GLU 8 H GLU 8 -11.814 -1.058 -4.526
63 HA GLU 8 HA GLU 8 -9.346 0.166 -4.970
64 1HB GLU 8 1HB GLU 8 -11.526 1.196 -4.121
65 2HB GLU 8 2HB GLU 8 -11.022 0.664 -2.523
66 1HG GLU 8 1HG GLU 8 -8.984 1.997 -2.728
67 2HG GLU 8 2HG GLU 8 -9.494 2.529 -4.328
68 H VAL 9 H VAL 9 -10.301 -2.247 -2.679
69 HA VAL 9 HA VAL 9 -8.034 -1.853 -0.932
70 HB VAL 9 HB VAL 9 -10.023 -4.129 -1.066
71 1HG1 VAL 9 1HG1 VAL 9 -7.854 -4.752 -0.041
72 2HG1 VAL 9 2HG1 VAL 9 -8.072 -3.454 1.132
73 3HG1 VAL 9 3HG1 VAL 9 -9.202 -4.807 1.095
74 1HG2 VAL 9 1HG2 VAL 9 -9.941 -1.551 0.441
75 2HG2 VAL 9 2HG2 VAL 9 -11.287 -2.313 -0.404
76 3HG2 VAL 9 3HG2 VAL 9 -10.739 -2.957 1.143
77 H ALA 10 H ALA 10 -9.094 -4.443 -3.151
78 HA ALA 10 HA ALA 10 -6.819 -6.026 -3.030
79 1HB ALA 10 1HB ALA 10 -8.898 -6.719 -4.126
80 2HB ALA 10 2HB ALA 10 -8.595 -5.568 -5.427
81 3HB ALA 10 3HB ALA 10 -7.505 -6.933 -5.187
82 H GLN 11 H GLN 11 -7.337 -2.986 -4.602
83 HA GLN 11 HA GLN 11 -5.234 -3.081 -6.482
84 1HB GLN 11 1HB GLN 11 -7.006 -1.420 -6.639
85 2HB GLN 11 2HB GLN 11 -6.533 -0.728 -5.094
86 1HG GLN 11 1HG GLN 11 -4.941 0.521 -6.018
87 2HG GLN 11 2HG GLN 11 -4.345 -0.814 -7.004
88 1HE2 GLN 11 2HE2 GLN 11 -6.460 -1.419 -8.565
89 2HE2 GLN 11 1HE2 GLN 11 -6.867 -0.082 -9.581
90 H LEU 12 H LEU 12 -5.412 -1.802 -3.169
91 HA LEU 12 HA LEU 12 -2.568 -1.236 -3.153
92 1HB LEU 12 1HB LEU 12 -4.517 -1.073 -0.856
93 2HB LEU 12 2HB LEU 12 -2.927 -0.340 -0.948
94 HG LEU 12 HG LEU 12 -5.161 0.419 -2.820
95 1HD1 LEU 12 1HD1 LEU 12 -4.451 1.562 -0.129
96 2HD1 LEU 12 2HD1 LEU 12 -5.402 2.426 -1.335
97 3HD1 LEU 12 3HD1 LEU 12 -6.004 0.916 -0.655
98 1HD2 LEU 12 1HD2 LEU 12 -2.436 1.461 -2.181
99 2HD2 LEU 12 2HD2 LEU 12 -3.196 1.189 -3.749
100 3HD2 LEU 12 3HD2 LEU 12 -3.686 2.564 -2.759
101 H GLU 13 H GLU 13 -4.814 -3.394 -1.431
102 HA GLU 13 HA GLU 13 -3.107 -4.690 0.264
103 1HB GLU 13 1HB GLU 13 -5.617 -5.387 -1.098
104 2HB GLU 13 2HB GLU 13 -4.662 -6.773 -0.591
105 1HG GLU 13 1HG GLU 13 -4.538 -5.544 1.683
106 2HG GLU 13 2HG GLU 13 -5.920 -4.637 1.072
107 H ALA 14 H ALA 14 -3.278 -4.985 -3.200
108 HA ALA 14 HA ALA 14 -1.595 -7.343 -3.272
109 1HB ALA 14 1HB ALA 14 -3.465 -6.796 -4.924
110 2HB ALA 14 2HB ALA 14 -2.334 -5.646 -5.637
111 3HB ALA 14 3HB ALA 14 -1.935 -7.364 -5.591
112 H GLU 15 H GLU 15 -1.287 -3.879 -3.637
113 HA GLU 15 HA GLU 15 1.467 -4.090 -4.557
114 1HB GLU 15 1HB GLU 15 -0.349 -2.325 -5.264
115 2HB GLU 15 2HB GLU 15 0.174 -1.498 -3.803
116 1HG GLU 15 1HG GLU 15 1.961 -2.297 -6.089
117 2HG GLU 15 2HG GLU 15 1.323 -0.680 -5.800
118 H ASN 16 H ASN 16 -0.235 -2.508 -1.847
119 HA ASN 16 HA ASN 16 1.923 -1.701 -0.353
120 1HB ASN 16 1HB ASN 16 -0.387 -1.130 0.205
121 2HB ASN 16 2HB ASN 16 -0.711 -2.801 0.651
122 1HD2 ASN 16 2HD2 ASN 16 -1.387 -1.756 2.657
123 2HD2 ASN 16 1HD2 ASN 16 -0.198 -1.442 3.870
124 H TYR 17 H TYR 17 0.355 -4.884 -0.328
125 HA TYR 17 HA TYR 17 1.979 -5.982 1.716
126 1HB TYR 17 1HB TYR 17 -0.150 -6.996 1.202
127 2HB TYR 17 2HB TYR 17 0.344 -7.299 -0.459
128 HD1 TYR 17 HD1 TYR 17 0.811 -8.330 3.048
129 HD2 TYR 17 HD2 TYR 17 1.689 -9.199 -1.023
130 HE1 TYR 17 HE1 TYR 17 1.635 -10.551 3.705
131 HE2 TYR 17 HE2 TYR 17 2.516 -11.422 -0.377
132 HH TYR 17 HH TYR 17 2.177 -13.035 1.517
133 H GLN 18 H GLN 18 2.192 -6.016 -1.816
134 HA GLN 18 HA GLN 18 4.337 -7.791 -2.067
135 1HB GLN 18 1HB GLN 18 2.799 -6.750 -3.876
136 2HB GLN 18 2HB GLN 18 3.977 -5.444 -3.906
137 1HG GLN 18 1HG GLN 18 5.667 -6.819 -4.717
138 2HG GLN 18 2HG GLN 18 4.830 -8.293 -4.230
139 1HE2 GLN 18 2HE2 GLN 18 5.844 -6.915 -6.845
140 2HE2 GLN 18 1HE2 GLN 18 4.555 -7.229 -7.951
141 H LEU 19 H LEU 19 4.259 -4.379 -1.283
142 HA LEU 19 HA LEU 19 7.148 -4.138 -1.503
143 1HB LEU 19 1HB LEU 19 5.022 -2.170 -0.678
144 2HB LEU 19 2HB LEU 19 6.731 -1.792 -0.759
145 HG LEU 19 HG LEU 19 4.949 -2.546 -3.075
146 1HD1 LEU 19 1HD1 LEU 19 6.296 0.019 -2.258
147 2HD1 LEU 19 2HD1 LEU 19 5.583 -0.256 -3.847
148 3HD1 LEU 19 3HD1 LEU 19 4.567 -0.290 -2.407
149 1HD2 LEU 19 1HD2 LEU 19 7.914 -2.277 -2.831
150 2HD2 LEU 19 2HD2 LEU 19 6.962 -3.473 -3.713
151 3HD2 LEU 19 3HD2 LEU 19 7.110 -1.830 -4.337
152 H GLU 20 H GLU 20 4.655 -3.978 1.023
153 HA GLU 20 HA GLU 20 6.153 -3.362 3.225
154 1HB GLU 20 1HB GLU 20 3.634 -3.900 3.010
155 2HB GLU 20 2HB GLU 20 4.107 -5.558 3.356
156 1HG GLU 20 1HG GLU 20 5.276 -3.696 5.235
157 2HG GLU 20 2HG GLU 20 3.518 -3.579 5.195
158 H GLN 21 H GLN 21 6.160 -6.340 1.427
159 HA GLN 21 HA GLN 21 7.773 -7.688 3.452
160 1HB GLN 21 1HB GLN 21 5.848 -8.759 2.090
161 2HB GLN 21 2HB GLN 21 7.022 -8.849 0.787
162 1HG GLN 21 1HG GLN 21 6.824 -10.930 2.111
163 2HG GLN 21 2HG GLN 21 8.453 -10.257 2.074
164 1HE2 GLN 21 2HE2 GLN 21 9.465 -10.053 3.939
165 2HE2 GLN 21 1HE2 GLN 21 8.727 -10.069 5.502
166 H GLU 22 H GLU 22 8.036 -6.225 0.290
167 HA GLU 22 HA GLU 22 10.684 -7.246 -0.208
168 1HB GLU 22 1HB GLU 22 8.662 -5.955 -1.722
169 2HB GLU 22 2HB GLU 22 10.094 -4.941 -1.806
170 1HG GLU 22 1HG GLU 22 10.018 -6.522 -3.646
171 2HG GLU 22 2HG GLU 22 11.405 -6.825 -2.600
172 H VAL 23 H VAL 23 9.284 -4.472 1.323
173 HA VAL 23 HA VAL 23 11.631 -2.829 1.207
174 HB VAL 23 HB VAL 23 9.303 -2.579 3.114
175 1HG1 VAL 23 1HG1 VAL 23 11.660 -0.930 2.470
176 2HG1 VAL 23 2HG1 VAL 23 10.130 -0.066 2.612
177 3HG1 VAL 23 3HG1 VAL 23 10.721 -1.039 3.958
178 1HG2 VAL 23 1HG2 VAL 23 9.123 -2.512 0.373
179 2HG2 VAL 23 2HG2 VAL 23 8.006 -1.738 1.496
180 3HG2 VAL 23 3HG2 VAL 23 9.332 -0.811 0.793
181 H ALA 24 H ALA 24 10.441 -5.309 3.323
182 HA ALA 24 HA ALA 24 11.882 -4.677 5.649
183 1HB ALA 24 1HB ALA 24 10.010 -6.464 5.160
184 2HB ALA 24 2HB ALA 24 11.402 -7.525 4.936
185 3HB ALA 24 3HB ALA 24 11.170 -6.687 6.471
186 H GLN 25 H GLN 25 12.964 -5.828 2.614
187 HA GLN 25 HA GLN 25 15.513 -6.701 3.803
188 1HB GLN 25 1HB GLN 25 14.557 -7.316 1.011
189 2HB GLN 25 2HB GLN 25 15.883 -8.068 1.888
190 1HG GLN 25 1HG GLN 25 13.603 -8.453 3.467
191 2HG GLN 25 2HG GLN 25 13.110 -8.785 1.808
192 1HE2 GLN 25 2HE2 GLN 25 14.872 -9.874 4.520
193 2HE2 GLN 25 1HE2 GLN 25 15.450 -11.353 3.842
194 H LEU 26 H LEU 26 14.032 -4.613 1.393
195 HA LEU 26 HA LEU 26 16.286 -3.761 0.018
196 1HB LEU 26 1HB LEU 26 13.751 -2.301 0.730
197 2HB LEU 26 2HB LEU 26 14.979 -1.613 -0.315
198 HG LEU 26 HG LEU 26 13.680 -4.257 -0.920
199 1HD1 LEU 26 1HD1 LEU 26 12.752 -1.488 -1.639
200 2HD1 LEU 26 2HD1 LEU 26 12.261 -2.934 -2.522
201 3HD1 LEU 26 3HD1 LEU 26 11.848 -2.759 -0.816
202 1HD2 LEU 26 1HD2 LEU 26 15.721 -2.625 -2.132
203 2HD2 LEU 26 2HD2 LEU 26 15.201 -4.260 -2.536
204 3HD2 LEU 26 3HD2 LEU 26 14.372 -2.872 -3.240
205 H GLU 27 H GLU 27 14.851 -2.354 2.962
206 HA GLU 27 HA GLU 27 17.148 -0.588 3.255
207 1HB GLU 27 1HB GLU 27 15.835 0.115 5.369
208 2HB GLU 27 2HB GLU 27 15.194 0.558 3.794
209 1HG GLU 27 1HG GLU 27 13.497 -0.271 5.404
210 2HG GLU 27 2HG GLU 27 13.558 -1.163 3.886
211 H HIS 28 H HIS 28 18.143 -3.017 3.409
212 HA HIS 28 HA HIS 28 18.095 -4.185 6.007
213 1HB HIS 28 1HB HIS 28 18.742 -5.261 3.736
214 2HB HIS 28 2HB HIS 28 20.335 -4.579 4.042
215 HD1 HIS 28 HD1 HIS 28 18.509 -7.602 4.556
216 HD2 HIS 28 HD2 HIS 28 21.269 -5.428 6.774
217 HE1 HIS 28 HE1 HIS 28 19.460 -9.201 6.268
218 H GLU 29 H GLU 29 20.089 -1.783 4.422
219 HA GLU 29 HA GLU 29 22.223 -1.772 6.271
220 1HB GLU 29 1HB GLU 29 21.809 -0.584 3.886
221 2HB GLU 29 2HB GLU 29 21.500 0.780 4.952
222 1HG GLU 29 1HG GLU 29 23.997 -0.896 5.014
223 2HG GLU 29 2HG GLU 29 23.836 0.631 4.149
224 H GLY 30 H GLY 30 19.483 0.497 5.937
225 1HA GLY 30 1HA GLY 30 18.307 1.650 7.546
226 2HA GLY 30 2HA GLY 30 19.069 0.630 8.757
227 1HN NH2 31 1HN NH2 31 20.584 2.801 6.420
228 2HN NH2 31 2HN NH2 31 21.316 3.840 7.589
229 1H ACE 0 1H ACE 0 -16.680 -4.756 4.708
230 2H ACE 0 2H ACE 0 -16.042 -5.356 3.178
231 3H ACE 0 3H ACE 0 -17.408 -6.167 3.942
232 H GLU 1 H GLU 1 -18.474 -3.438 4.713
233 HA GLU 1 HA GLU 1 -19.935 -2.988 2.242
234 1HB GLU 1 1HB GLU 1 -20.415 -1.553 4.842
235 2HB GLU 1 2HB GLU 1 -21.549 -1.852 3.533
236 1HG GLU 1 1HG GLU 1 -22.217 -3.751 4.450
237 2HG GLU 1 2HG GLU 1 -20.560 -4.338 4.580
238 H VAL 2 H VAL 2 -20.685 -0.360 2.494
239 HA VAL 2 HA VAL 2 -18.852 1.044 1.073
240 HB VAL 2 HB VAL 2 -19.893 3.135 2.354
241 1HG1 VAL 2 1HG1 VAL 2 -20.294 1.940 -0.022
242 2HG1 VAL 2 2HG1 VAL 2 -21.891 1.739 0.700
243 3HG1 VAL 2 3HG1 VAL 2 -21.196 3.352 0.528
244 1HG2 VAL 2 1HG2 VAL 2 -20.956 1.237 3.920
245 2HG2 VAL 2 2HG2 VAL 2 -21.754 2.775 3.596
246 3HG2 VAL 2 3HG2 VAL 2 -22.215 1.335 2.690
247 H GLN 3 H GLN 3 -19.329 2.385 4.273
248 HA GLN 3 HA GLN 3 -16.741 3.384 4.486
249 1HB GLN 3 1HB GLN 3 -17.270 3.924 6.767
250 2HB GLN 3 2HB GLN 3 -18.700 4.197 5.782
251 1HG GLN 3 1HG GLN 3 -18.879 1.552 6.696
252 2HG GLN 3 2HG GLN 3 -18.359 2.517 8.075
253 1HE2 GLN 3 2HE2 GLN 3 -19.630 4.529 8.447
254 2HE2 GLN 3 1HE2 GLN 3 -21.339 4.450 8.201
255 H ALA 4 H ALA 4 -18.087 0.300 5.489
256 HA ALA 4 HA ALA 4 -16.080 -0.561 7.213
257 1HB ALA 4 1HB ALA 4 -18.278 -1.761 5.779
258 2HB ALA 4 2HB ALA 4 -16.891 -2.847 5.851
259 3HB ALA 4 3HB ALA 4 -17.579 -2.195 7.339
260 H LEU 5 H LEU 5 -16.116 -0.361 3.732
261 HA LEU 5 HA LEU 5 -13.456 -1.633 3.648
262 1HB LEU 5 1HB LEU 5 -15.727 -1.537 1.740
263 2HB LEU 5 2HB LEU 5 -14.116 -1.507 1.059
264 HG LEU 5 HG LEU 5 -15.034 -3.645 2.974
265 1HD1 LEU 5 1HD1 LEU 5 -16.322 -3.367 0.712
266 2HD1 LEU 5 2HD1 LEU 5 -14.867 -4.093 0.033
267 3HD1 LEU 5 3HD1 LEU 5 -15.797 -4.960 1.254
268 1HD2 LEU 5 1HD2 LEU 5 -12.525 -2.962 1.953
269 2HD2 LEU 5 2HD2 LEU 5 -12.970 -4.448 2.791
270 3HD2 LEU 5 3HD2 LEU 5 -13.038 -4.374 1.030
271 H LYS 6 H LYS 6 -15.414 0.995 2.450
272 HA LYS 6 HA LYS 6 -13.673 2.469 0.953
273 1HB LYS 6 1HB LYS 6 -15.953 3.110 1.097
274 2HB LYS 6 2HB LYS 6 -15.873 3.245 2.842
275 1HG LYS 6 1HG LYS 6 -15.329 5.395 2.717
276 2HG LYS 6 2HG LYS 6 -13.998 5.050 1.611
277 1HD LYS 6 1HD LYS 6 -15.393 6.469 0.385
278 2HD LYS 6 2HD LYS 6 -15.815 4.857 -0.195
279 1HE LYS 6 1HE LYS 6 -17.932 5.254 0.337
280 2HE LYS 6 2HE LYS 6 -17.461 5.369 2.032
281 1HZ LYS 6 1HZ LYS 6 -16.792 7.783 1.257
282 2HZ LYS 6 2HZ LYS 6 -17.994 7.496 0.101
283 3HZ LYS 6 3HZ LYS 6 -18.369 7.413 1.748
284 H LYS 7 H LYS 7 -13.849 2.249 4.470
285 HA LYS 7 HA LYS 7 -11.824 4.313 4.784
286 1HB LYS 7 1HB LYS 7 -12.271 4.252 7.097
287 2HB LYS 7 2HB LYS 7 -13.833 4.057 6.318
288 1HG LYS 7 1HG LYS 7 -13.284 1.497 6.611
289 2HG LYS 7 2HG LYS 7 -12.241 2.109 7.898
290 1HD LYS 7 1HD LYS 7 -15.137 2.892 7.654
291 2HD LYS 7 2HD LYS 7 -14.614 1.467 8.555
292 1HE LYS 7 1HE LYS 7 -13.411 2.762 10.107
293 2HE LYS 7 2HE LYS 7 -13.471 4.194 9.081
294 1HZ LYS 7 1HZ LYS 7 -16.047 3.826 9.431
295 2HZ LYS 7 2HZ LYS 7 -15.510 3.092 10.857
296 3HZ LYS 7 3HZ LYS 7 -15.114 4.706 10.535
297 H ARG 8 H ARG 8 -12.083 0.837 4.839
298 HA ARG 8 HA ARG 8 -9.677 0.300 6.218
299 1HB ARG 8 1HB ARG 8 -10.013 -1.926 5.691
300 2HB ARG 8 2HB ARG 8 -11.646 -1.287 5.602
301 1HG ARG 8 1HG ARG 8 -11.767 -2.258 3.609
302 2HG ARG 8 2HG ARG 8 -10.707 -0.975 3.029
303 1HD ARG 8 1HD ARG 8 -9.264 -2.574 2.465
304 2HD ARG 8 2HD ARG 8 -8.980 -2.808 4.187
305 HE ARG 8 HE ARG 8 -10.637 -4.459 2.442
306 1HH1 ARG 8 1HH1 ARG 8 -9.463 -3.805 5.670
307 2HH1 ARG 8 2HH1 ARG 8 -9.886 -5.370 6.271
308 1HH2 ARG 8 1HH2 ARG 8 -11.194 -6.514 3.242
309 2HH2 ARG 8 2HH2 ARG 8 -10.867 -6.906 4.897
310 H VAL 9 H VAL 9 -10.356 1.210 2.938
311 HA VAL 9 HA VAL 9 -8.040 0.302 1.664
312 HB VAL 9 HB VAL 9 -9.572 2.838 1.064
313 1HG1 VAL 9 1HG1 VAL 9 -7.222 2.392 0.034
314 2HG1 VAL 9 2HG1 VAL 9 -8.080 1.211 -0.955
315 3HG1 VAL 9 3HG1 VAL 9 -8.546 2.911 -1.008
316 1HG2 VAL 9 1HG2 VAL 9 -10.641 0.364 1.103
317 2HG2 VAL 9 2HG2 VAL 9 -11.154 1.637 -0.006
318 3HG2 VAL 9 3HG2 VAL 9 -10.009 0.408 -0.543
319 H GLN 10 H GLN 10 -8.667 3.277 3.469
320 HA GLN 10 HA GLN 10 -6.284 4.619 2.930
321 1HB GLN 10 1HB GLN 10 -7.833 4.678 5.525
322 2HB GLN 10 2HB GLN 10 -6.726 5.911 4.936
323 1HG GLN 10 1HG GLN 10 -8.238 6.304 3.025
324 2HG GLN 10 2HG GLN 10 -9.367 5.138 3.717
325 1HE2 GLN 10 2HE2 GLN 10 -9.737 5.639 6.177
326 2HE2 GLN 10 1HE2 GLN 10 -10.162 7.280 6.510
327 H ALA 11 H ALA 11 -6.876 1.842 4.883
328 HA ALA 11 HA ALA 11 -4.464 2.122 6.451
329 1HB ALA 11 1HB ALA 11 -6.474 -0.110 6.229
330 2HB ALA 11 2HB ALA 11 -5.080 -0.132 7.310
331 3HB ALA 11 3HB ALA 11 -6.338 1.087 7.517
332 H LEU 12 H LEU 12 -4.897 1.385 3.298
333 HA LEU 12 HA LEU 12 -2.722 -0.600 3.296
334 1HB LEU 12 1HB LEU 12 -4.356 -0.161 0.855
335 2HB LEU 12 2HB LEU 12 -3.590 -1.622 1.435
336 HG LEU 12 HG LEU 12 -5.966 -0.507 2.883
337 1HD1 LEU 12 1HD1 LEU 12 -6.402 -0.742 0.380
338 2HD1 LEU 12 2HD1 LEU 12 -6.217 -2.477 0.636
339 3HD1 LEU 12 3HD1 LEU 12 -7.488 -1.591 1.479
340 1HD2 LEU 12 1HD2 LEU 12 -4.535 -2.364 3.808
341 2HD2 LEU 12 2HD2 LEU 12 -6.250 -2.738 3.631
342 3HD2 LEU 12 3HD2 LEU 12 -5.088 -3.353 2.456
343 H LYS 13 H LYS 13 -3.949 2.356 1.837
344 HA LYS 13 HA LYS 13 -1.540 2.681 0.245
345 1HB LYS 13 1HB LYS 13 -2.696 4.820 -0.487
346 2HB LYS 13 2HB LYS 13 -3.486 3.313 -0.924
347 1HG LYS 13 1HG LYS 13 -5.144 4.869 -0.198
348 2HG LYS 13 2HG LYS 13 -5.000 3.607 1.023
349 1HD LYS 13 1HD LYS 13 -4.196 5.030 2.583
350 2HD LYS 13 2HD LYS 13 -3.264 5.955 1.405
351 1HE LYS 13 1HE LYS 13 -5.958 6.420 0.785
352 2HE LYS 13 2HE LYS 13 -5.846 6.518 2.541
353 1HZ LYS 13 1HZ LYS 13 -3.752 7.962 1.930
354 2HZ LYS 13 2HZ LYS 13 -4.625 8.222 0.505
355 3HZ LYS 13 3HZ LYS 13 -5.301 8.638 1.999
356 H ALA 14 H ALA 14 -2.804 3.729 3.274
357 HA ALA 14 HA ALA 14 -1.483 6.174 3.592
358 1HB ALA 14 1HB ALA 14 -2.363 4.099 5.580
359 2HB ALA 14 2HB ALA 14 -1.622 5.623 6.065
360 3HB ALA 14 3HB ALA 14 -3.143 5.627 5.172
361 H ARG 15 H ARG 15 -0.444 2.910 4.575
362 HA ARG 15 HA ARG 15 2.193 3.873 5.268
363 1HB ARG 15 1HB ARG 15 1.146 2.104 6.601
364 2HB ARG 15 2HB ARG 15 1.069 1.067 5.183
365 1HG ARG 15 1HG ARG 15 2.923 0.274 6.311
366 2HG ARG 15 2HG ARG 15 3.629 1.355 5.108
367 1HD ARG 15 1HD ARG 15 3.473 3.148 6.953
368 2HD ARG 15 2HD ARG 15 3.273 1.784 8.053
369 HE ARG 15 HE ARG 15 5.691 2.635 6.792
370 1HH1 ARG 15 1HH1 ARG 15 3.999 -0.151 8.039
371 2HH1 ARG 15 2HH1 ARG 15 5.446 -1.046 8.355
372 1HH2 ARG 15 1HH2 ARG 15 7.597 1.460 7.206
373 2HH2 ARG 15 2HH2 ARG 15 7.490 -0.131 7.881
374 H ASN 16 H ASN 16 0.655 2.128 2.646
375 HA ASN 16 HA ASN 16 2.974 1.195 1.358
376 1HB ASN 16 1HB ASN 16 0.742 0.354 0.818
377 2HB ASN 16 2HB ASN 16 0.287 1.927 0.178
378 1HD2 ASN 16 2HD2 ASN 16 -0.155 1.153 -1.857
379 2HD2 ASN 16 1HD2 ASN 16 1.077 0.614 -2.942
380 H TYR 17 H TYR 17 1.081 4.168 0.881
381 HA TYR 17 HA TYR 17 2.393 5.263 -1.264
382 1HB TYR 17 1HB TYR 17 0.430 6.306 -0.272
383 2HB TYR 17 2HB TYR 17 1.339 6.696 1.184
384 HD1 TYR 17 HD1 TYR 17 1.553 7.252 -2.510
385 HD2 TYR 17 HD2 TYR 17 2.128 8.852 1.390
386 HE1 TYR 17 HE1 TYR 17 2.194 9.411 -3.497
387 HE2 TYR 17 HE2 TYR 17 2.770 11.015 0.414
388 HH TYR 17 HH TYR 17 3.765 11.788 -1.860
389 H ALA 18 H ALA 18 3.515 4.987 2.028
390 HA ALA 18 HA ALA 18 5.709 6.811 1.707
391 1HB ALA 18 1HB ALA 18 4.447 5.820 3.876
392 2HB ALA 18 2HB ALA 18 5.871 4.781 3.838
393 3HB ALA 18 3HB ALA 18 6.059 6.533 3.919
394 H LEU 19 H LEU 19 5.469 3.257 1.979
395 HA LEU 19 HA LEU 19 8.202 2.786 1.447
396 1HB LEU 19 1HB LEU 19 6.210 0.758 0.584
397 2HB LEU 19 2HB LEU 19 7.711 0.548 1.457
398 HG LEU 19 HG LEU 19 5.066 1.448 2.583
399 1HD1 LEU 19 1HD1 LEU 19 6.794 -0.983 2.966
400 2HD1 LEU 19 2HD1 LEU 19 5.464 -0.557 4.044
401 3HD1 LEU 19 3HD1 LEU 19 5.145 -0.908 2.345
402 1HD2 LEU 19 1HD2 LEU 19 7.824 1.540 3.751
403 2HD2 LEU 19 2HD2 LEU 19 6.570 2.781 3.759
404 3HD2 LEU 19 3HD2 LEU 19 6.402 1.351 4.777
405 H LYS 20 H LYS 20 5.333 2.603 -0.638
406 HA LYS 20 HA LYS 20 6.396 1.885 -3.037
407 1HB LYS 20 1HB LYS 20 3.981 2.793 -2.243
408 2HB LYS 20 2HB LYS 20 4.536 4.182 -3.164
409 1HG LYS 20 1HG LYS 20 4.738 2.905 -5.145
410 2HG LYS 20 2HG LYS 20 4.535 1.388 -4.267
411 1HD LYS 20 1HD LYS 20 2.291 1.562 -4.240
412 2HD LYS 20 2HD LYS 20 2.333 3.300 -3.935
413 1HE LYS 20 1HE LYS 20 3.234 3.267 -6.460
414 2HE LYS 20 2HE LYS 20 2.234 1.815 -6.491
415 1HZ LYS 20 1HZ LYS 20 1.029 4.166 -5.281
416 2HZ LYS 20 2HZ LYS 20 1.291 4.255 -6.950
417 3HZ LYS 20 3HZ LYS 20 0.349 3.006 -6.306
418 H GLN 21 H GLN 21 6.784 4.925 -1.389
419 HA GLN 21 HA GLN 21 7.947 6.248 -3.678
420 1HB GLN 21 1HB GLN 21 6.584 7.522 -2.105
421 2HB GLN 21 2HB GLN 21 7.691 7.119 -0.799
422 1HG GLN 21 1HG GLN 21 9.374 8.248 -2.616
423 2HG GLN 21 2HG GLN 21 7.890 9.163 -2.881
424 1HE2 GLN 21 2HE2 GLN 21 8.653 11.056 -2.022
425 2HE2 GLN 21 1HE2 GLN 21 8.988 11.265 -0.341
426 H LYS 22 H LYS 22 9.062 4.851 -0.626
427 HA LYS 22 HA LYS 22 11.810 5.589 -1.212
428 1HB LYS 22 1HB LYS 22 12.325 4.667 0.987
429 2HB LYS 22 2HB LYS 22 10.994 5.812 1.074
430 1HG LYS 22 1HG LYS 22 9.657 4.290 1.964
431 2HG LYS 22 2HG LYS 22 9.992 3.154 0.656
432 1HD LYS 22 1HD LYS 22 10.625 2.152 2.757
433 2HD LYS 22 2HD LYS 22 12.079 2.496 1.816
434 1HE LYS 22 1HE LYS 22 12.677 3.256 3.910
435 2HE LYS 22 2HE LYS 22 12.090 4.730 3.142
436 1HZ LYS 22 1HZ LYS 22 9.843 3.836 4.222
437 2HZ LYS 22 2HZ LYS 22 10.948 3.197 5.333
438 3HZ LYS 22 3HZ LYS 22 10.910 4.862 5.041
439 H VAL 23 H VAL 23 9.859 3.018 -2.110
440 HA VAL 23 HA VAL 23 11.293 0.722 -1.683
441 HB VAL 23 HB VAL 23 10.069 1.382 -4.363
442 1HG1 VAL 23 1HG1 VAL 23 11.429 -0.665 -4.259
443 2HG1 VAL 23 2HG1 VAL 23 10.428 -1.248 -2.929
444 3HG1 VAL 23 3HG1 VAL 23 9.721 -1.015 -4.528
445 1HG2 VAL 23 1HG2 VAL 23 8.818 0.732 -1.741
446 2HG2 VAL 23 2HG2 VAL 23 8.281 1.827 -3.012
447 3HG2 VAL 23 3HG2 VAL 23 8.092 0.087 -3.214
448 H GLN 24 H GLN 24 11.610 2.600 -4.700
449 HA GLN 24 HA GLN 24 13.997 1.357 -5.510
450 1HB GLN 24 1HB GLN 24 14.199 3.377 -7.037
451 2HB GLN 24 2HB GLN 24 12.720 2.437 -7.183
452 1HG GLN 24 1HG GLN 24 11.430 4.068 -6.154
453 2HG GLN 24 2HG GLN 24 12.829 4.843 -5.413
454 1HE2 GLN 24 2HE2 GLN 24 10.556 5.505 -7.467
455 2HE2 GLN 24 1HE2 GLN 24 11.399 6.433 -8.656
456 H ALA 25 H ALA 25 13.370 4.240 -3.598
457 HA ALA 25 HA ALA 25 15.930 5.351 -3.587
458 1HB ALA 25 1HB ALA 25 13.636 6.170 -2.582
459 2HB ALA 25 2HB ALA 25 14.294 5.463 -1.105
460 3HB ALA 25 3HB ALA 25 15.174 6.744 -1.939
461 H LEU 26 H LEU 26 14.654 2.583 -1.914
462 HA LEU 26 HA LEU 26 16.783 2.426 0.009
463 1HB LEU 26 1HB LEU 26 14.583 0.545 -0.812
464 2HB LEU 26 2HB LEU 26 15.816 0.079 0.344
465 HG LEU 26 HG LEU 26 13.743 2.244 0.647
466 1HD1 LEU 26 1HD1 LEU 26 14.262 -0.415 1.913
467 2HD1 LEU 26 2HD1 LEU 26 13.380 0.839 2.785
468 3HD1 LEU 26 3HD1 LEU 26 12.764 0.235 1.247
469 1HD2 LEU 26 1HD2 LEU 26 16.177 1.665 2.321
470 2HD2 LEU 26 2HD2 LEU 26 15.728 3.186 1.551
471 3HD2 LEU 26 3HD2 LEU 26 14.787 2.575 2.911
472 H ARG 27 H ARG 27 15.863 0.438 -2.809
473 HA ARG 27 HA ARG 27 18.214 -1.125 -2.777
474 1HB ARG 27 1HB ARG 27 17.540 -1.700 -5.145
475 2HB ARG 27 2HB ARG 27 16.335 -2.020 -3.907
476 1HG ARG 27 1HG ARG 27 15.779 0.563 -4.746
477 2HG ARG 27 2HG ARG 27 16.194 -0.303 -6.225
478 1HD ARG 27 1HD ARG 27 14.604 -2.130 -5.096
479 2HD ARG 27 2HD ARG 27 13.913 -0.676 -4.374
480 HE ARG 27 HE ARG 27 13.037 -0.126 -6.414
481 1HH1 ARG 27 1HH1 ARG 27 15.499 -2.557 -6.871
482 2HH1 ARG 27 2HH1 ARG 27 15.143 -2.780 -8.550
483 1HH2 ARG 27 1HH2 ARG 27 12.569 -0.416 -8.624
484 2HH2 ARG 27 2HH2 ARG 27 13.481 -1.564 -9.546
485 H HIS 28 H HIS 28 17.325 1.777 -4.618
486 HA HIS 28 HA HIS 28 19.595 1.890 -6.251
487 1HB HIS 28 1HB HIS 28 17.681 3.980 -5.248
488 2HB HIS 28 2HB HIS 28 19.070 4.430 -6.230
489 HD1 HIS 28 HD1 HIS 28 15.954 4.604 -7.068
490 HD2 HIS 28 HD2 HIS 28 18.740 1.768 -8.275
491 HE1 HIS 28 HE1 HIS 28 15.109 3.667 -9.260
492 H LYS 29 H LYS 29 18.964 3.778 -3.286
493 HA LYS 29 HA LYS 29 21.629 4.718 -3.075
494 1HB LYS 29 1HB LYS 29 19.233 5.343 -1.881
495 2HB LYS 29 2HB LYS 29 20.121 4.589 -0.564
496 1HG LYS 29 1HG LYS 29 21.824 6.196 -0.643
497 2HG LYS 29 2HG LYS 29 21.321 6.772 -2.234
498 1HD LYS 29 1HD LYS 29 19.424 6.956 0.066
499 2HD LYS 29 2HD LYS 29 20.727 8.138 -0.081
500 1HE LYS 29 1HE LYS 29 19.958 8.710 -2.329
501 2HE LYS 29 2HE LYS 29 18.668 7.515 -2.197
502 1HZ LYS 29 1HZ LYS 29 18.980 9.920 -0.482
503 2HZ LYS 29 2HZ LYS 29 17.859 9.739 -1.734
504 3HZ LYS 29 3HZ LYS 29 17.743 8.773 -0.350
505 H GLY 30 H GLY 30 19.860 2.115 -1.427
506 1HA GLY 30 1HA GLY 30 22.336 1.253 -0.126
507 2HA GLY 30 2HA GLY 30 20.721 0.656 0.222
508 1HN NH2 31 1HN NH2 31 23.011 0.763 -2.494
509 2HN NH2 31 2HN NH2 31 22.738 -0.864 -3.009
Start of MODEL 21
1 1H ACE 0 1H ACE 0 -21.189 6.123 -1.135
2 2H ACE 0 2H ACE 0 -22.639 6.157 -2.139
3 3H ACE 0 3H ACE 0 -21.248 7.155 -2.564
4 H GLU 1 H GLU 1 -19.493 6.229 -3.608
5 HA GLU 1 HA GLU 1 -19.979 4.018 -5.260
6 1HB GLU 1 1HB GLU 1 -17.666 4.213 -5.943
7 2HB GLU 1 2HB GLU 1 -18.361 5.819 -5.773
8 1HG GLU 1 1HG GLU 1 -17.313 5.428 -3.299
9 2HG GLU 1 2HG GLU 1 -16.169 4.546 -4.310
10 H VAL 2 H VAL 2 -20.241 1.999 -4.569
11 HA VAL 2 HA VAL 2 -18.806 1.043 -2.225
12 HB VAL 2 HB VAL 2 -20.804 -0.453 -3.925
13 1HG1 VAL 2 1HG1 VAL 2 -19.098 -1.470 -2.092
14 2HG1 VAL 2 2HG1 VAL 2 -20.473 -1.063 -1.066
15 3HG1 VAL 2 3HG1 VAL 2 -20.689 -2.145 -2.442
16 1HG2 VAL 2 1HG2 VAL 2 -21.360 1.809 -2.504
17 2HG2 VAL 2 2HG2 VAL 2 -22.518 0.527 -2.861
18 3HG2 VAL 2 3HG2 VAL 2 -21.674 0.547 -1.312
19 H ALA 3 H ALA 3 -19.335 -0.122 -5.560
20 HA ALA 3 HA ALA 3 -17.483 -2.185 -5.539
21 1HB ALA 3 1HB ALA 3 -18.515 -0.461 -7.769
22 2HB ALA 3 2HB ALA 3 -17.391 -1.789 -8.053
23 3HB ALA 3 3HB ALA 3 -18.974 -2.110 -7.347
24 H GLN 4 H GLN 4 -16.961 1.244 -5.795
25 HA GLN 4 HA GLN 4 -14.258 0.984 -6.772
26 1HB GLN 4 1HB GLN 4 -15.934 3.304 -5.854
27 2HB GLN 4 2HB GLN 4 -14.219 3.491 -6.193
28 1HG GLN 4 1HG GLN 4 -14.535 3.476 -8.397
29 2HG GLN 4 2HG GLN 4 -15.664 2.126 -8.319
30 1HE2 GLN 4 2HE2 GLN 4 -17.644 2.567 -8.936
31 2HE2 GLN 4 1HE2 GLN 4 -18.411 4.115 -8.887
32 H LEU 5 H LEU 5 -15.549 0.272 -3.862
33 HA LEU 5 HA LEU 5 -13.141 1.151 -2.412
34 1HB LEU 5 1HB LEU 5 -15.928 0.668 -1.359
35 2HB LEU 5 2HB LEU 5 -14.530 0.972 -0.346
36 HG LEU 5 HG LEU 5 -15.556 2.915 -2.414
37 1HD1 LEU 5 1HD1 LEU 5 -16.116 2.683 0.529
38 2HD1 LEU 5 2HD1 LEU 5 -16.322 4.187 -0.369
39 3HD1 LEU 5 3HD1 LEU 5 -17.270 2.764 -0.801
40 1HD2 LEU 5 1HD2 LEU 5 -13.113 2.955 -1.636
41 2HD2 LEU 5 2HD2 LEU 5 -14.035 4.455 -1.544
42 3HD2 LEU 5 3HD2 LEU 5 -13.758 3.499 -0.087
43 H GLU 6 H GLU 6 -15.485 -1.458 -2.862
44 HA GLU 6 HA GLU 6 -14.374 -3.338 -1.121
45 1HB GLU 6 1HB GLU 6 -15.793 -3.793 -3.752
46 2HB GLU 6 2HB GLU 6 -15.486 -5.035 -2.550
47 1HG GLU 6 1HG GLU 6 -16.784 -2.881 -1.252
48 2HG GLU 6 2HG GLU 6 -17.665 -3.228 -2.737
49 H LYS 7 H LYS 7 -14.089 -3.592 -4.654
50 HA LYS 7 HA LYS 7 -11.866 -5.270 -4.639
51 1HB LYS 7 1HB LYS 7 -11.521 -4.251 -7.024
52 2HB LYS 7 2HB LYS 7 -12.938 -5.235 -6.686
53 1HG LYS 7 1HG LYS 7 -14.345 -3.349 -6.568
54 2HG LYS 7 2HG LYS 7 -12.976 -2.239 -6.495
55 1HD LYS 7 1HD LYS 7 -12.526 -3.584 -8.843
56 2HD LYS 7 2HD LYS 7 -14.286 -3.465 -8.804
57 1HE LYS 7 1HE LYS 7 -14.221 -1.300 -9.314
58 2HE LYS 7 2HE LYS 7 -13.072 -0.970 -8.018
59 1HZ LYS 7 1HZ LYS 7 -11.318 -1.834 -9.570
60 2HZ LYS 7 2HZ LYS 7 -12.478 -1.800 -10.800
61 3HZ LYS 7 3HZ LYS 7 -12.027 -0.367 -10.025
62 H GLU 8 H GLU 8 -12.081 -1.854 -4.180
63 HA GLU 8 HA GLU 8 -9.523 -1.044 -4.944
64 1HB GLU 8 1HB GLU 8 -11.495 0.394 -4.204
65 2HB GLU 8 2HB GLU 8 -10.985 0.062 -2.555
66 1HG GLU 8 1HG GLU 8 -9.145 1.377 -2.711
67 2HG GLU 8 2HG GLU 8 -8.936 1.074 -4.433
68 H VAL 9 H VAL 9 -10.635 -2.804 -2.159
69 HA VAL 9 HA VAL 9 -8.296 -2.418 -0.565
70 HB VAL 9 HB VAL 9 -10.491 -4.491 -0.418
71 1HG1 VAL 9 1HG1 VAL 9 -8.199 -3.976 1.474
72 2HG1 VAL 9 2HG1 VAL 9 -9.622 -4.937 1.876
73 3HG1 VAL 9 3HG1 VAL 9 -8.539 -5.461 0.586
74 1HG2 VAL 9 1HG2 VAL 9 -11.140 -2.147 0.022
75 2HG2 VAL 9 2HG2 VAL 9 -11.313 -3.184 1.437
76 3HG2 VAL 9 3HG2 VAL 9 -9.940 -2.084 1.313
77 H ALA 10 H ALA 10 -9.530 -5.249 -2.362
78 HA ALA 10 HA ALA 10 -7.299 -6.880 -2.068
79 1HB ALA 10 1HB ALA 10 -9.703 -7.174 -3.257
80 2HB ALA 10 2HB ALA 10 -8.664 -7.042 -4.675
81 3HB ALA 10 3HB ALA 10 -8.357 -8.294 -3.472
82 H GLN 11 H GLN 11 -7.808 -4.123 -4.102
83 HA GLN 11 HA GLN 11 -5.782 -4.604 -6.012
84 1HB GLN 11 1HB GLN 11 -7.509 -2.968 -6.441
85 2HB GLN 11 2HB GLN 11 -7.037 -2.034 -5.030
86 1HG GLN 11 1HG GLN 11 -5.712 -0.827 -6.320
87 2HG GLN 11 2HG GLN 11 -4.735 -2.263 -6.617
88 1HE2 GLN 11 2HE2 GLN 11 -6.960 -0.023 -7.915
89 2HE2 GLN 11 1HE2 GLN 11 -7.061 -0.693 -9.504
90 H LEU 12 H LEU 12 -5.802 -2.556 -3.084
91 HA LEU 12 HA LEU 12 -3.000 -2.021 -3.244
92 1HB LEU 12 1HB LEU 12 -4.875 -1.691 -0.901
93 2HB LEU 12 2HB LEU 12 -3.272 -0.997 -1.042
94 HG LEU 12 HG LEU 12 -5.522 -0.329 -2.933
95 1HD1 LEU 12 1HD1 LEU 12 -4.644 1.036 -0.400
96 2HD1 LEU 12 2HD1 LEU 12 -5.636 1.807 -1.636
97 3HD1 LEU 12 3HD1 LEU 12 -6.239 0.389 -0.778
98 1HD2 LEU 12 1HD2 LEU 12 -2.711 0.552 -2.560
99 2HD2 LEU 12 2HD2 LEU 12 -3.646 0.344 -4.040
100 3HD2 LEU 12 3HD2 LEU 12 -3.902 1.766 -3.030
101 H GLU 13 H GLU 13 -4.986 -4.420 -1.657
102 HA GLU 13 HA GLU 13 -3.139 -5.353 0.231
103 1HB GLU 13 1HB GLU 13 -5.550 -6.476 -1.104
104 2HB GLU 13 2HB GLU 13 -4.480 -7.604 -0.283
105 1HG GLU 13 1HG GLU 13 -4.741 -6.417 1.793
106 2HG GLU 13 2HG GLU 13 -5.694 -5.166 0.997
107 H ALA 14 H ALA 14 -3.318 -5.781 -3.201
108 HA ALA 14 HA ALA 14 -1.432 -7.997 -3.193
109 1HB ALA 14 1HB ALA 14 -3.450 -7.606 -4.818
110 2HB ALA 14 2HB ALA 14 -2.286 -6.611 -5.691
111 3HB ALA 14 3HB ALA 14 -1.950 -8.318 -5.409
112 H GLU 15 H GLU 15 -1.550 -4.566 -3.972
113 HA GLU 15 HA GLU 15 1.162 -4.521 -4.965
114 1HB GLU 15 1HB GLU 15 -0.788 -2.990 -5.684
115 2HB GLU 15 2HB GLU 15 -0.453 -2.100 -4.205
116 1HG GLU 15 1HG GLU 15 1.114 -0.965 -5.266
117 2HG GLU 15 2HG GLU 15 2.015 -2.461 -5.508
118 H ASN 16 H ASN 16 -0.526 -3.084 -2.170
119 HA ASN 16 HA ASN 16 1.647 -2.003 -0.858
120 1HB ASN 16 1HB ASN 16 -0.652 -1.611 -0.147
121 2HB ASN 16 2HB ASN 16 -0.817 -3.293 0.341
122 1HD2 ASN 16 2HD2 ASN 16 -1.450 -2.231 2.371
123 2HD2 ASN 16 1HD2 ASN 16 -0.210 -1.813 3.499
124 H TYR 17 H TYR 17 0.629 -5.339 -1.049
125 HA TYR 17 HA TYR 17 2.348 -6.258 1.058
126 1HB TYR 17 1HB TYR 17 0.351 -7.521 0.571
127 2HB TYR 17 2HB TYR 17 0.834 -7.725 -1.109
128 HD1 TYR 17 HD1 TYR 17 2.708 -8.214 2.086
129 HD2 TYR 17 HD2 TYR 17 1.198 -9.980 -1.477
130 HE1 TYR 17 HE1 TYR 17 3.821 -10.327 2.669
131 HE2 TYR 17 HE2 TYR 17 2.307 -12.098 -0.905
132 HH TYR 17 HH TYR 17 3.092 -13.180 1.482
133 H GLN 18 H GLN 18 2.479 -6.199 -2.478
134 HA GLN 18 HA GLN 18 4.788 -7.703 -2.856
135 1HB GLN 18 1HB GLN 18 3.065 -6.451 -4.510
136 2HB GLN 18 2HB GLN 18 4.432 -5.350 -4.618
137 1HG GLN 18 1HG GLN 18 5.128 -8.183 -4.871
138 2HG GLN 18 2HG GLN 18 4.088 -7.558 -6.151
139 1HE2 GLN 18 2HE2 GLN 18 7.092 -8.290 -5.709
140 2HE2 GLN 18 1HE2 GLN 18 7.910 -7.008 -6.528
141 H LEU 19 H LEU 19 4.412 -4.458 -1.678
142 HA LEU 19 HA LEU 19 7.263 -3.906 -1.975
143 1HB LEU 19 1HB LEU 19 5.078 -2.141 -0.880
144 2HB LEU 19 2HB LEU 19 6.722 -1.652 -1.243
145 HG LEU 19 HG LEU 19 4.755 -2.629 -3.313
146 1HD1 LEU 19 1HD1 LEU 19 4.458 -0.317 -1.992
147 2HD1 LEU 19 2HD1 LEU 19 5.604 0.198 -3.230
148 3HD1 LEU 19 3HD1 LEU 19 4.060 -0.514 -3.700
149 1HD2 LEU 19 1HD2 LEU 19 7.439 -2.626 -3.496
150 2HD2 LEU 19 2HD2 LEU 19 6.366 -2.342 -4.866
151 3HD2 LEU 19 3HD2 LEU 19 7.093 -0.977 -4.018
152 H GLU 20 H GLU 20 4.789 -4.090 0.572
153 HA GLU 20 HA GLU 20 6.297 -3.518 2.790
154 1HB GLU 20 1HB GLU 20 3.782 -4.200 2.524
155 2HB GLU 20 2HB GLU 20 4.378 -5.811 2.901
156 1HG GLU 20 1HG GLU 20 5.340 -3.743 4.723
157 2HG GLU 20 2HG GLU 20 3.589 -3.941 4.722
158 H GLN 21 H GLN 21 6.412 -6.377 0.814
159 HA GLN 21 HA GLN 21 8.072 -7.790 2.753
160 1HB GLN 21 1HB GLN 21 6.191 -8.743 1.101
161 2HB GLN 21 2HB GLN 21 7.586 -8.910 0.045
162 1HG GLN 21 1HG GLN 21 7.101 -10.952 1.317
163 2HG GLN 21 2HG GLN 21 8.703 -10.301 1.656
164 1HE2 GLN 21 2HE2 GLN 21 9.253 -10.017 3.703
165 2HE2 GLN 21 1HE2 GLN 21 8.171 -10.031 5.051
166 H GLU 22 H GLU 22 8.323 -6.045 -0.253
167 HA GLU 22 HA GLU 22 11.026 -6.924 -0.774
168 1HB GLU 22 1HB GLU 22 9.175 -6.165 -2.472
169 2HB GLU 22 2HB GLU 22 9.780 -4.555 -2.114
170 1HG GLU 22 1HG GLU 22 11.951 -5.108 -2.910
171 2HG GLU 22 2HG GLU 22 11.529 -6.815 -3.043
172 H VAL 23 H VAL 23 9.451 -4.313 0.872
173 HA VAL 23 HA VAL 23 11.716 -2.553 0.891
174 HB VAL 23 HB VAL 23 9.338 -2.489 2.748
175 1HG1 VAL 23 1HG1 VAL 23 11.672 -0.956 2.659
176 2HG1 VAL 23 2HG1 VAL 23 10.416 0.058 1.949
177 3HG1 VAL 23 3HG1 VAL 23 10.199 -0.612 3.565
178 1HG2 VAL 23 1HG2 VAL 23 9.257 -2.298 -0.027
179 2HG2 VAL 23 2HG2 VAL 23 8.012 -1.774 1.107
180 3HG2 VAL 23 3HG2 VAL 23 9.224 -0.626 0.537
181 H ALA 24 H ALA 24 10.446 -5.069 2.960
182 HA ALA 24 HA ALA 24 11.855 -4.510 5.309
183 1HB ALA 24 1HB ALA 24 10.164 -6.549 4.372
184 2HB ALA 24 2HB ALA 24 11.638 -7.343 4.928
185 3HB ALA 24 3HB ALA 24 10.736 -6.291 6.020
186 H GLN 25 H GLN 25 12.829 -6.140 2.359
187 HA GLN 25 HA GLN 25 15.329 -7.067 3.449
188 1HB GLN 25 1HB GLN 25 14.527 -6.890 0.543
189 2HB GLN 25 2HB GLN 25 15.793 -7.893 1.237
190 1HG GLN 25 1HG GLN 25 13.858 -8.945 2.603
191 2HG GLN 25 2HG GLN 25 12.831 -8.234 1.360
192 1HE2 GLN 25 2HE2 GLN 25 15.685 -10.280 1.781
193 2HE2 GLN 25 1HE2 GLN 25 15.383 -11.289 0.412
194 H LEU 26 H LEU 26 14.233 -4.405 1.410
195 HA LEU 26 HA LEU 26 16.736 -3.415 0.642
196 1HB LEU 26 1HB LEU 26 14.086 -2.043 1.055
197 2HB LEU 26 2HB LEU 26 15.495 -1.212 0.426
198 HG LEU 26 HG LEU 26 14.039 -3.520 -0.859
199 1HD1 LEU 26 1HD1 LEU 26 13.039 -1.211 -0.984
200 2HD1 LEU 26 2HD1 LEU 26 14.471 -0.730 -1.895
201 3HD1 LEU 26 3HD1 LEU 26 13.397 -1.976 -2.532
202 1HD2 LEU 26 1HD2 LEU 26 16.586 -2.123 -1.658
203 2HD2 LEU 26 2HD2 LEU 26 16.369 -3.833 -1.286
204 3HD2 LEU 26 3HD2 LEU 26 15.640 -3.147 -2.738
205 H GLU 27 H GLU 27 14.611 -1.986 3.127
206 HA GLU 27 HA GLU 27 16.933 -0.765 4.386
207 1HB GLU 27 1HB GLU 27 15.246 0.375 5.813
208 2HB GLU 27 2HB GLU 27 15.002 0.653 4.094
209 1HG GLU 27 1HG GLU 27 13.191 -0.914 4.037
210 2HG GLU 27 2HG GLU 27 13.500 -1.396 5.705
211 H HIS 28 H HIS 28 17.266 -3.369 4.679
212 HA HIS 28 HA HIS 28 16.016 -4.501 6.973
213 1HB HIS 28 1HB HIS 28 17.492 -5.519 4.929
214 2HB HIS 28 2HB HIS 28 18.686 -5.516 6.223
215 HD1 HIS 28 HD1 HIS 28 15.250 -6.935 5.442
216 HD2 HIS 28 HD2 HIS 28 18.447 -7.523 8.029
217 HE1 HIS 28 HE1 HIS 28 14.765 -9.079 6.693
218 H GLU 29 H GLU 29 18.934 -2.633 6.432
219 HA GLU 29 HA GLU 29 20.045 -3.074 9.023
220 1HB GLU 29 1HB GLU 29 21.573 -1.234 8.446
221 2HB GLU 29 2HB GLU 29 21.463 -2.423 7.155
222 1HG GLU 29 1HG GLU 29 21.048 -0.759 5.760
223 2HG GLU 29 2HG GLU 29 19.497 -0.542 6.568
224 H GLY 30 H GLY 30 17.824 -0.749 7.646
225 1HA GLY 30 1HA GLY 30 16.240 0.137 9.382
226 2HA GLY 30 2HA GLY 30 17.684 0.598 10.272
227 1HN NH2 31 1HN NH2 31 16.186 2.628 10.000
228 2HN NH2 31 2HN NH2 31 16.632 3.673 8.699
229 1H ACE 0 1H ACE 0 -18.987 -4.292 5.333
230 2H ACE 0 2H ACE 0 -17.374 -3.593 5.197
231 3H ACE 0 3H ACE 0 -17.873 -4.880 4.100
232 H GLU 1 H GLU 1 -19.373 -1.827 5.178
233 HA GLU 1 HA GLU 1 -20.173 -1.276 2.441
234 1HB GLU 1 1HB GLU 1 -21.342 0.709 3.552
235 2HB GLU 1 2HB GLU 1 -21.925 -0.895 3.969
236 1HG GLU 1 1HG GLU 1 -20.811 -0.831 6.073
237 2HG GLU 1 2HG GLU 1 -19.964 0.653 5.640
238 H VAL 2 H VAL 2 -20.235 1.420 2.296
239 HA VAL 2 HA VAL 2 -17.918 2.214 1.223
240 HB VAL 2 HB VAL 2 -19.644 4.048 2.879
241 1HG1 VAL 2 1HG1 VAL 2 -17.253 4.593 1.608
242 2HG1 VAL 2 2HG1 VAL 2 -18.471 5.113 0.444
243 3HG1 VAL 2 3HG1 VAL 2 -18.476 5.773 2.079
244 1HG2 VAL 2 1HG2 VAL 2 -19.938 2.990 0.085
245 2HG2 VAL 2 2HG2 VAL 2 -21.115 2.981 1.398
246 3HG2 VAL 2 3HG2 VAL 2 -20.698 4.497 0.600
247 H GLN 3 H GLN 3 -18.597 3.685 4.351
248 HA GLN 3 HA GLN 3 -15.934 4.246 4.928
249 1HB GLN 3 1HB GLN 3 -16.663 4.790 7.164
250 2HB GLN 3 2HB GLN 3 -17.863 5.352 6.010
251 1HG GLN 3 1HG GLN 3 -18.369 2.663 7.036
252 2HG GLN 3 2HG GLN 3 -18.384 3.922 8.266
253 1HE2 GLN 3 2HE2 GLN 3 -19.940 2.631 5.463
254 2HE2 GLN 3 1HE2 GLN 3 -21.358 3.614 5.536
255 H ALA 4 H ALA 4 -17.844 1.383 5.624
256 HA ALA 4 HA ALA 4 -16.111 0.213 7.512
257 1HB ALA 4 1HB ALA 4 -18.547 -0.441 6.454
258 2HB ALA 4 2HB ALA 4 -17.498 -1.696 5.794
259 3HB ALA 4 3HB ALA 4 -17.596 -1.453 7.539
260 H LEU 5 H LEU 5 -15.932 0.472 4.060
261 HA LEU 5 HA LEU 5 -13.630 -1.372 4.035
262 1HB LEU 5 1HB LEU 5 -15.713 -0.685 2.042
263 2HB LEU 5 2HB LEU 5 -14.108 -0.996 1.427
264 HG LEU 5 HG LEU 5 -15.702 -2.922 3.121
265 1HD1 LEU 5 1HD1 LEU 5 -15.542 -2.458 0.202
266 2HD1 LEU 5 2HD1 LEU 5 -15.528 -4.133 0.755
267 3HD1 LEU 5 3HD1 LEU 5 -16.871 -3.074 1.182
268 1HD2 LEU 5 1HD2 LEU 5 -12.968 -2.809 2.654
269 2HD2 LEU 5 2HD2 LEU 5 -13.884 -4.206 3.216
270 3HD2 LEU 5 3HD2 LEU 5 -13.559 -4.000 1.495
271 H LYS 6 H LYS 6 -14.878 1.639 2.760
272 HA LYS 6 HA LYS 6 -12.763 2.750 1.472
273 1HB LYS 6 1HB LYS 6 -14.874 3.859 1.533
274 2HB LYS 6 2HB LYS 6 -14.837 3.959 3.285
275 1HG LYS 6 1HG LYS 6 -13.635 5.853 3.273
276 2HG LYS 6 2HG LYS 6 -12.605 5.311 1.946
277 1HD LYS 6 1HD LYS 6 -13.745 7.058 0.960
278 2HD LYS 6 2HD LYS 6 -14.749 5.680 0.505
279 1HE LYS 6 1HE LYS 6 -16.114 7.546 1.288
280 2HE LYS 6 2HE LYS 6 -16.257 6.155 2.363
281 1HZ LYS 6 1HZ LYS 6 -14.352 8.349 2.910
282 2HZ LYS 6 2HZ LYS 6 -15.961 8.422 3.427
283 3HZ LYS 6 3HZ LYS 6 -14.949 7.183 3.981
284 H LYS 7 H LYS 7 -13.336 2.679 4.953
285 HA LYS 7 HA LYS 7 -11.061 4.247 5.637
286 1HB LYS 7 1HB LYS 7 -12.778 2.364 7.252
287 2HB LYS 7 2HB LYS 7 -11.501 3.356 7.942
288 1HG LYS 7 1HG LYS 7 -12.660 5.337 7.544
289 2HG LYS 7 2HG LYS 7 -13.732 4.580 6.364
290 1HD LYS 7 1HD LYS 7 -15.056 4.846 8.281
291 2HD LYS 7 2HD LYS 7 -14.572 3.150 8.310
292 1HE LYS 7 1HE LYS 7 -13.585 3.408 10.279
293 2HE LYS 7 2HE LYS 7 -12.617 4.748 9.668
294 1HZ LYS 7 1HZ LYS 7 -14.967 5.946 9.990
295 2HZ LYS 7 2HZ LYS 7 -15.072 4.789 11.219
296 3HZ LYS 7 3HZ LYS 7 -13.785 5.888 11.198
297 H ARG 8 H ARG 8 -11.697 0.788 5.387
298 HA ARG 8 HA ARG 8 -9.204 -0.021 6.481
299 1HB ARG 8 1HB ARG 8 -9.857 -2.201 6.035
300 2HB ARG 8 2HB ARG 8 -11.393 -1.374 6.224
301 1HG ARG 8 1HG ARG 8 -12.036 -2.048 4.216
302 2HG ARG 8 2HG ARG 8 -10.637 -1.280 3.472
303 1HD ARG 8 1HD ARG 8 -9.814 -3.288 3.005
304 2HD ARG 8 2HD ARG 8 -9.703 -3.625 4.731
305 HE ARG 8 HE ARG 8 -11.630 -4.671 2.891
306 1HH1 ARG 8 1HH1 ARG 8 -11.076 -3.824 6.231
307 2HH1 ARG 8 2HH1 ARG 8 -12.260 -4.932 6.839
308 1HH2 ARG 8 1HH2 ARG 8 -13.188 -6.130 3.689
309 2HH2 ARG 8 2HH2 ARG 8 -13.459 -6.242 5.396
310 H VAL 9 H VAL 9 -10.223 0.961 3.309
311 HA VAL 9 HA VAL 9 -8.112 -0.222 1.833
312 HB VAL 9 HB VAL 9 -9.737 2.244 1.180
313 1HG1 VAL 9 1HG1 VAL 9 -7.467 1.752 -0.037
314 2HG1 VAL 9 2HG1 VAL 9 -8.421 0.532 -0.879
315 3HG1 VAL 9 3HG1 VAL 9 -8.891 2.230 -0.958
316 1HG2 VAL 9 1HG2 VAL 9 -10.729 -0.229 1.501
317 2HG2 VAL 9 2HG2 VAL 9 -11.359 0.922 0.323
318 3HG2 VAL 9 3HG2 VAL 9 -10.223 -0.327 -0.186
319 H GLN 10 H GLN 10 -8.563 3.072 3.112
320 HA GLN 10 HA GLN 10 -6.223 4.227 2.242
321 1HB GLN 10 1HB GLN 10 -6.442 5.807 4.058
322 2HB GLN 10 2HB GLN 10 -8.037 5.425 3.427
323 1HG GLN 10 1HG GLN 10 -8.733 4.723 5.406
324 2HG GLN 10 2HG GLN 10 -7.347 3.650 5.583
325 1HE2 GLN 10 2HE2 GLN 10 -7.295 4.153 7.809
326 2HE2 GLN 10 1HE2 GLN 10 -6.629 5.644 8.372
327 H ALA 11 H ALA 11 -6.672 1.894 4.783
328 HA ALA 11 HA ALA 11 -4.173 2.273 6.078
329 1HB ALA 11 1HB ALA 11 -6.406 0.915 6.713
330 2HB ALA 11 2HB ALA 11 -5.383 -0.413 6.168
331 3HB ALA 11 3HB ALA 11 -4.842 0.637 7.479
332 H LEU 12 H LEU 12 -5.061 0.763 3.129
333 HA LEU 12 HA LEU 12 -2.677 -0.912 3.064
334 1HB LEU 12 1HB LEU 12 -4.452 -0.605 0.696
335 2HB LEU 12 2HB LEU 12 -3.599 -2.021 1.268
336 HG LEU 12 HG LEU 12 -5.902 -0.961 2.860
337 1HD1 LEU 12 1HD1 LEU 12 -6.552 -1.157 0.422
338 2HD1 LEU 12 2HD1 LEU 12 -6.254 -2.887 0.584
339 3HD1 LEU 12 3HD1 LEU 12 -7.495 -2.111 1.566
340 1HD2 LEU 12 1HD2 LEU 12 -4.523 -2.739 3.797
341 2HD2 LEU 12 2HD2 LEU 12 -6.147 -3.324 3.431
342 3HD2 LEU 12 3HD2 LEU 12 -4.804 -3.724 2.360
343 H LYS 13 H LYS 13 -4.059 1.890 1.418
344 HA LYS 13 HA LYS 13 -1.733 2.195 -0.272
345 1HB LYS 13 1HB LYS 13 -2.925 4.214 -1.111
346 2HB LYS 13 2HB LYS 13 -3.841 2.724 -1.268
347 1HG LYS 13 1HG LYS 13 -5.516 3.885 -0.361
348 2HG LYS 13 2HG LYS 13 -4.670 3.636 1.167
349 1HD LYS 13 1HD LYS 13 -4.400 5.829 1.372
350 2HD LYS 13 2HD LYS 13 -3.467 5.845 -0.125
351 1HE LYS 13 1HE LYS 13 -6.301 5.664 -0.661
352 2HE LYS 13 2HE LYS 13 -5.934 7.065 0.343
353 1HZ LYS 13 1HZ LYS 13 -4.329 6.514 -2.065
354 2HZ LYS 13 2HZ LYS 13 -5.829 7.285 -2.206
355 3HZ LYS 13 3HZ LYS 13 -4.600 7.986 -1.278
356 H ALA 14 H ALA 14 -2.899 3.480 2.740
357 HA ALA 14 HA ALA 14 -1.567 5.911 2.870
358 1HB ALA 14 1HB ALA 14 -2.352 3.917 4.957
359 2HB ALA 14 2HB ALA 14 -1.421 5.349 5.396
360 3HB ALA 14 3HB ALA 14 -3.006 5.525 4.642
361 H ARG 15 H ARG 15 -0.383 2.730 3.949
362 HA ARG 15 HA ARG 15 2.278 3.749 4.376
363 1HB ARG 15 1HB ARG 15 1.184 1.892 5.717
364 2HB ARG 15 2HB ARG 15 1.421 0.856 4.315
365 1HG ARG 15 1HG ARG 15 3.321 0.329 5.398
366 2HG ARG 15 2HG ARG 15 3.916 1.787 4.600
367 1HD ARG 15 1HD ARG 15 2.972 2.966 6.742
368 2HD ARG 15 2HD ARG 15 3.137 1.359 7.448
369 HE ARG 15 HE ARG 15 5.410 1.630 7.451
370 1HH1 ARG 15 1HH1 ARG 15 3.988 4.050 5.378
371 2HH1 ARG 15 2HH1 ARG 15 5.473 4.912 5.156
372 1HH2 ARG 15 1HH2 ARG 15 7.364 2.763 7.161
373 2HH2 ARG 15 2HH2 ARG 15 7.390 4.182 6.167
374 H ASN 16 H ASN 16 0.687 1.589 2.056
375 HA ASN 16 HA ASN 16 2.878 0.831 0.544
376 1HB ASN 16 1HB ASN 16 0.676 -0.150 0.221
377 2HB ASN 16 2HB ASN 16 0.048 1.380 -0.374
378 1HD2 ASN 16 2HD2 ASN 16 -0.453 -0.484 -2.031
379 2HD2 ASN 16 1HD2 ASN 16 0.645 -0.556 -3.362
380 H TYR 17 H TYR 17 0.752 3.649 0.034
381 HA TYR 17 HA TYR 17 1.990 4.694 -2.210
382 1HB TYR 17 1HB TYR 17 -0.100 5.609 -1.413
383 2HB TYR 17 2HB TYR 17 0.656 6.142 0.085
384 HD1 TYR 17 HD1 TYR 17 1.662 6.498 -3.498
385 HD2 TYR 17 HD2 TYR 17 0.647 8.455 0.142
386 HE1 TYR 17 HE1 TYR 17 2.171 8.670 -4.531
387 HE2 TYR 17 HE2 TYR 17 1.151 10.633 -0.882
388 HH TYR 17 HH TYR 17 1.244 11.265 -3.909
389 H ALA 18 H ALA 18 3.005 4.741 1.117
390 HA ALA 18 HA ALA 18 5.008 6.772 0.758
391 1HB ALA 18 1HB ALA 18 4.074 5.053 2.973
392 2HB ALA 18 2HB ALA 18 5.754 5.589 3.047
393 3HB ALA 18 3HB ALA 18 4.453 6.776 2.952
394 H LEU 19 H LEU 19 5.003 3.225 1.023
395 HA LEU 19 HA LEU 19 7.801 2.920 0.857
396 1HB LEU 19 1HB LEU 19 6.064 0.816 -0.316
397 2HB LEU 19 2HB LEU 19 7.448 0.661 0.742
398 HG LEU 19 HG LEU 19 4.620 1.341 1.514
399 1HD1 LEU 19 1HD1 LEU 19 6.488 -0.938 2.094
400 2HD1 LEU 19 2HD1 LEU 19 5.026 -0.637 3.034
401 3HD1 LEU 19 3HD1 LEU 19 4.909 -0.989 1.309
402 1HD2 LEU 19 1HD2 LEU 19 7.166 1.886 2.914
403 2HD2 LEU 19 2HD2 LEU 19 5.611 2.710 3.022
404 3HD2 LEU 19 3HD2 LEU 19 5.864 1.188 3.876
405 H LYS 20 H LYS 20 5.298 2.492 -1.647
406 HA LYS 20 HA LYS 20 6.791 1.966 -3.850
407 1HB LYS 20 1HB LYS 20 4.192 2.670 -3.414
408 2HB LYS 20 2HB LYS 20 4.771 4.051 -4.336
409 1HG LYS 20 1HG LYS 20 5.606 2.448 -6.060
410 2HG LYS 20 2HG LYS 20 4.799 1.160 -5.166
411 1HD LYS 20 1HD LYS 20 2.808 3.012 -5.396
412 2HD LYS 20 2HD LYS 20 3.680 3.231 -6.913
413 1HE LYS 20 1HE LYS 20 3.536 0.499 -6.689
414 2HE LYS 20 2HE LYS 20 1.992 1.022 -6.016
415 1HZ LYS 20 1HZ LYS 20 1.784 2.429 -8.089
416 2HZ LYS 20 2HZ LYS 20 3.071 1.535 -8.723
417 3HZ LYS 20 3HZ LYS 20 1.629 0.758 -8.299
418 H GLN 21 H GLN 21 6.640 5.001 -2.146
419 HA GLN 21 HA GLN 21 7.995 6.456 -4.247
420 1HB GLN 21 1HB GLN 21 6.307 7.617 -2.963
421 2HB GLN 21 2HB GLN 21 7.148 7.255 -1.462
422 1HG GLN 21 1HG GLN 21 8.508 9.001 -1.680
423 2HG GLN 21 2HG GLN 21 8.827 8.651 -3.378
424 1HE2 GLN 21 2HE2 GLN 21 8.443 10.425 -4.494
425 2HE2 GLN 21 1HE2 GLN 21 7.052 11.438 -4.345
426 H LYS 22 H LYS 22 8.761 5.156 -1.045
427 HA LYS 22 HA LYS 22 11.485 6.158 -1.217
428 1HB LYS 22 1HB LYS 22 11.745 5.227 1.041
429 2HB LYS 22 2HB LYS 22 10.354 6.296 0.926
430 1HG LYS 22 1HG LYS 22 8.994 4.697 1.622
431 2HG LYS 22 2HG LYS 22 9.559 3.603 0.360
432 1HD LYS 22 1HD LYS 22 9.981 2.546 2.454
433 2HD LYS 22 2HD LYS 22 11.535 3.089 1.819
434 1HE LYS 22 1HE LYS 22 11.356 3.572 4.197
435 2HE LYS 22 2HE LYS 22 11.434 5.063 3.259
436 1HZ LYS 22 1HZ LYS 22 8.766 4.058 3.803
437 2HZ LYS 22 2HZ LYS 22 9.625 4.604 5.155
438 3HZ LYS 22 3HZ LYS 22 9.357 5.643 3.847
439 H VAL 23 H VAL 23 9.792 3.232 -1.892
440 HA VAL 23 HA VAL 23 11.501 1.193 -1.416
441 HB VAL 23 HB VAL 23 9.939 1.656 -3.961
442 1HG1 VAL 23 1HG1 VAL 23 11.699 -0.568 -3.134
443 2HG1 VAL 23 2HG1 VAL 23 10.134 -1.020 -3.810
444 3HG1 VAL 23 3HG1 VAL 23 11.244 -0.019 -4.747
445 1HG2 VAL 23 1HG2 VAL 23 9.179 0.984 -1.302
446 2HG2 VAL 23 2HG2 VAL 23 8.162 1.144 -2.732
447 3HG2 VAL 23 3HG2 VAL 23 8.886 -0.414 -2.336
448 H GLN 24 H GLN 24 11.789 3.513 -4.084
449 HA GLN 24 HA GLN 24 14.134 2.286 -5.171
450 1HB GLN 24 1HB GLN 24 14.280 4.306 -6.572
451 2HB GLN 24 2HB GLN 24 12.673 3.597 -6.603
452 1HG GLN 24 1HG GLN 24 11.922 5.278 -4.973
453 2HG GLN 24 2HG GLN 24 13.526 6.008 -5.016
454 1HE2 GLN 24 2HE2 GLN 24 11.023 7.242 -5.679
455 2HE2 GLN 24 1HE2 GLN 24 11.124 7.734 -7.332
456 H ALA 25 H ALA 25 13.475 4.852 -2.885
457 HA ALA 25 HA ALA 25 16.079 5.939 -2.764
458 1HB ALA 25 1HB ALA 25 13.755 6.757 -1.794
459 2HB ALA 25 2HB ALA 25 14.361 5.961 -0.342
460 3HB ALA 25 3HB ALA 25 15.287 7.264 -1.084
461 H LEU 26 H LEU 26 14.582 3.164 -1.268
462 HA LEU 26 HA LEU 26 16.576 2.761 0.734
463 1HB LEU 26 1HB LEU 26 14.736 0.680 -0.440
464 2HB LEU 26 2HB LEU 26 15.521 0.643 1.128
465 HG LEU 26 HG LEU 26 13.372 2.597 0.317
466 1HD1 LEU 26 1HD1 LEU 26 12.993 -0.034 0.813
467 2HD1 LEU 26 2HD1 LEU 26 12.863 0.636 2.439
468 3HD1 LEU 26 3HD1 LEU 26 11.808 1.225 1.155
469 1HD2 LEU 26 1HD2 LEU 26 15.254 3.001 2.201
470 2HD2 LEU 26 2HD2 LEU 26 13.608 3.623 2.311
471 3HD2 LEU 26 3HD2 LEU 26 14.045 2.133 3.147
472 H ARG 27 H ARG 27 15.819 0.834 -2.173
473 HA ARG 27 HA ARG 27 18.116 -0.717 -2.168
474 1HB ARG 27 1HB ARG 27 17.674 -0.938 -4.669
475 2HB ARG 27 2HB ARG 27 16.370 -1.401 -3.590
476 1HG ARG 27 1HG ARG 27 15.799 1.215 -4.052
477 2HG ARG 27 2HG ARG 27 16.506 0.714 -5.591
478 1HD ARG 27 1HD ARG 27 14.525 -1.089 -4.316
479 2HD ARG 27 2HD ARG 27 13.934 0.394 -5.050
480 HE ARG 27 HE ARG 27 14.705 -1.935 -6.412
481 1HH1 ARG 27 1HH1 ARG 27 15.055 1.532 -6.649
482 2HH1 ARG 27 2HH1 ARG 27 15.218 1.520 -8.371
483 1HH2 ARG 27 1HH2 ARG 27 14.918 -1.947 -8.675
484 2HH2 ARG 27 2HH2 ARG 27 15.140 -0.452 -9.522
485 H HIS 28 H HIS 28 17.727 2.595 -3.084
486 HA HIS 28 HA HIS 28 20.155 2.706 -4.640
487 1HB HIS 28 1HB HIS 28 18.018 4.607 -3.862
488 2HB HIS 28 2HB HIS 28 19.609 5.303 -4.150
489 HD1 HIS 28 HD1 HIS 28 17.242 5.939 -6.046
490 HD2 HIS 28 HD2 HIS 28 20.009 2.902 -6.660
491 HE1 HIS 28 HE1 HIS 28 17.229 5.458 -8.529
492 H LYS 29 H LYS 29 19.105 4.068 -1.515
493 HA LYS 29 HA LYS 29 21.769 4.876 -0.822
494 1HB LYS 29 1HB LYS 29 19.077 5.089 0.354
495 2HB LYS 29 2HB LYS 29 20.382 4.975 1.523
496 1HG LYS 29 1HG LYS 29 20.841 7.118 1.241
497 2HG LYS 29 2HG LYS 29 21.159 6.837 -0.471
498 1HD LYS 29 1HD LYS 29 18.322 6.867 0.041
499 2HD LYS 29 2HD LYS 29 19.079 8.339 0.653
500 1HE LYS 29 1HE LYS 29 19.926 8.912 -1.464
501 2HE LYS 29 2HE LYS 29 19.641 7.294 -2.106
502 1HZ LYS 29 1HZ LYS 29 17.172 7.930 -1.506
503 2HZ LYS 29 2HZ LYS 29 17.763 9.500 -1.724
504 3HZ LYS 29 3HZ LYS 29 17.866 8.376 -2.982
505 H GLY 30 H GLY 30 22.219 4.222 1.722
506 1HA GLY 30 1HA GLY 30 21.735 1.657 2.629
507 2HA GLY 30 2HA GLY 30 23.112 1.521 1.547
508 1HN NH2 31 1HN NH2 31 24.198 4.110 2.183
509 2HN NH2 31 2HN NH2 31 24.871 3.996 3.769
Start of MODEL 22
1 1H ACE 0 1H ACE 0 -23.358 4.743 -3.971
2 2H ACE 0 2H ACE 0 -22.768 4.230 -2.391
3 3H ACE 0 3H ACE 0 -23.732 3.127 -3.372
4 H GLU 1 H GLU 1 -20.588 4.326 -2.698
5 HA GLU 1 HA GLU 1 -19.392 3.134 -5.067
6 1HB GLU 1 1HB GLU 1 -18.437 4.884 -2.854
7 2HB GLU 1 2HB GLU 1 -17.255 3.906 -3.712
8 1HG GLU 1 1HG GLU 1 -18.172 4.911 -5.845
9 2HG GLU 1 2HG GLU 1 -19.039 6.053 -4.818
10 H VAL 2 H VAL 2 -20.716 1.502 -2.983
11 HA VAL 2 HA VAL 2 -19.132 0.135 -1.254
12 HB VAL 2 HB VAL 2 -21.172 -1.082 -3.118
13 1HG1 VAL 2 1HG1 VAL 2 -19.447 -2.336 -1.267
14 2HG1 VAL 2 2HG1 VAL 2 -21.055 -2.328 -0.544
15 3HG1 VAL 2 3HG1 VAL 2 -20.808 -3.045 -2.136
16 1HG2 VAL 2 1HG2 VAL 2 -21.382 0.392 -0.524
17 2HG2 VAL 2 2HG2 VAL 2 -22.339 0.569 -1.996
18 3HG2 VAL 2 3HG2 VAL 2 -22.579 -0.831 -0.950
19 H ALA 3 H ALA 3 -19.710 -1.062 -4.573
20 HA ALA 3 HA ALA 3 -17.660 -2.962 -4.547
21 1HB ALA 3 1HB ALA 3 -19.657 -2.348 -6.268
22 2HB ALA 3 2HB ALA 3 -18.255 -1.771 -7.167
23 3HB ALA 3 3HB ALA 3 -18.332 -3.451 -6.636
24 H GLN 4 H GLN 4 -17.665 0.394 -5.694
25 HA GLN 4 HA GLN 4 -15.179 0.528 -6.875
26 1HB GLN 4 1HB GLN 4 -17.084 2.338 -6.417
27 2HB GLN 4 2HB GLN 4 -15.977 2.804 -5.132
28 1HG GLN 4 1HG GLN 4 -14.594 3.797 -6.554
29 2HG GLN 4 2HG GLN 4 -14.602 2.414 -7.647
30 1HE2 GLN 4 2HE2 GLN 4 -15.180 2.985 -9.606
31 2HE2 GLN 4 1HE2 GLN 4 -16.399 4.137 -10.020
32 H LEU 5 H LEU 5 -15.976 0.309 -3.498
33 HA LEU 5 HA LEU 5 -13.217 0.856 -2.706
34 1HB LEU 5 1HB LEU 5 -15.594 0.205 -0.964
35 2HB LEU 5 2HB LEU 5 -14.037 0.808 -0.427
36 HG LEU 5 HG LEU 5 -15.622 2.457 -2.345
37 1HD1 LEU 5 1HD1 LEU 5 -16.228 2.076 0.571
38 2HD1 LEU 5 2HD1 LEU 5 -16.642 3.558 -0.292
39 3HD1 LEU 5 3HD1 LEU 5 -17.334 2.018 -0.803
40 1HD2 LEU 5 1HD2 LEU 5 -13.209 2.772 -1.099
41 2HD2 LEU 5 2HD2 LEU 5 -14.196 4.078 -1.756
42 3HD2 LEU 5 3HD2 LEU 5 -14.295 3.675 -0.043
43 H GLU 6 H GLU 6 -15.485 -1.758 -3.071
44 HA GLU 6 HA GLU 6 -14.231 -3.712 -1.502
45 1HB GLU 6 1HB GLU 6 -15.943 -3.905 -3.978
46 2HB GLU 6 2HB GLU 6 -15.361 -5.326 -3.121
47 1HG GLU 6 1HG GLU 6 -16.475 -3.784 -1.127
48 2HG GLU 6 2HG GLU 6 -17.557 -3.541 -2.496
49 H LYS 7 H LYS 7 -13.653 -2.660 -4.817
50 HA LYS 7 HA LYS 7 -11.613 -4.689 -5.215
51 1HB LYS 7 1HB LYS 7 -12.068 -2.429 -7.123
52 2HB LYS 7 2HB LYS 7 -11.596 -4.088 -7.457
53 1HG LYS 7 1HG LYS 7 -14.334 -3.136 -6.641
54 2HG LYS 7 2HG LYS 7 -13.839 -3.682 -8.244
55 1HD LYS 7 1HD LYS 7 -13.557 -5.462 -5.847
56 2HD LYS 7 2HD LYS 7 -15.091 -5.334 -6.711
57 1HE LYS 7 1HE LYS 7 -13.379 -5.709 -8.772
58 2HE LYS 7 2HE LYS 7 -12.566 -6.624 -7.504
59 1HZ LYS 7 1HZ LYS 7 -15.421 -7.076 -7.732
60 2HZ LYS 7 2HZ LYS 7 -14.501 -7.616 -9.045
61 3HZ LYS 7 3HZ LYS 7 -14.164 -8.182 -7.486
62 H GLU 8 H GLU 8 -11.848 -1.325 -4.372
63 HA GLU 8 HA GLU 8 -9.270 -0.479 -5.029
64 1HB GLU 8 1HB GLU 8 -11.293 0.875 -4.191
65 2HB GLU 8 2HB GLU 8 -10.700 0.498 -2.580
66 1HG GLU 8 1HG GLU 8 -9.007 1.955 -2.732
67 2HG GLU 8 2HG GLU 8 -8.666 1.538 -4.409
68 H VAL 9 H VAL 9 -10.395 -2.514 -2.459
69 HA VAL 9 HA VAL 9 -8.095 -2.192 -0.780
70 HB VAL 9 HB VAL 9 -10.227 -4.335 -0.826
71 1HG1 VAL 9 1HG1 VAL 9 -7.688 -4.282 0.531
72 2HG1 VAL 9 2HG1 VAL 9 -9.012 -4.266 1.696
73 3HG1 VAL 9 3HG1 VAL 9 -8.912 -5.551 0.493
74 1HG2 VAL 9 1HG2 VAL 9 -9.804 -1.864 0.835
75 2HG2 VAL 9 2HG2 VAL 9 -11.188 -2.273 -0.179
76 3HG2 VAL 9 3HG2 VAL 9 -10.894 -3.163 1.315
77 H ALA 10 H ALA 10 -9.245 -4.922 -2.776
78 HA ALA 10 HA ALA 10 -6.981 -6.509 -2.594
79 1HB ALA 10 1HB ALA 10 -9.233 -6.282 -4.493
80 2HB ALA 10 2HB ALA 10 -7.803 -7.140 -5.067
81 3HB ALA 10 3HB ALA 10 -8.631 -7.683 -3.608
82 H GLN 11 H GLN 11 -7.531 -3.616 -4.417
83 HA GLN 11 HA GLN 11 -5.478 -3.904 -6.337
84 1HB GLN 11 1HB GLN 11 -7.227 -2.265 -6.647
85 2HB GLN 11 2HB GLN 11 -6.780 -1.443 -5.161
86 1HG GLN 11 1HG GLN 11 -5.178 -0.263 -6.161
87 2HG GLN 11 2HG GLN 11 -4.580 -1.661 -7.053
88 1HE2 GLN 11 2HE2 GLN 11 -4.380 0.326 -8.559
89 2HE2 GLN 11 1HE2 GLN 11 -5.689 0.541 -9.667
90 H LEU 12 H LEU 12 -5.561 -2.196 -3.206
91 HA LEU 12 HA LEU 12 -2.747 -1.610 -3.311
92 1HB LEU 12 1HB LEU 12 -4.633 -1.409 -0.966
93 2HB LEU 12 2HB LEU 12 -3.049 -0.672 -1.095
94 HG LEU 12 HG LEU 12 -5.329 0.022 -2.937
95 1HD1 LEU 12 1HD1 LEU 12 -4.494 1.258 -0.327
96 2HD1 LEU 12 2HD1 LEU 12 -5.471 2.100 -1.528
97 3HD1 LEU 12 3HD1 LEU 12 -6.078 0.627 -0.772
98 1HD2 LEU 12 1HD2 LEU 12 -2.941 0.468 -3.627
99 2HD2 LEU 12 2HD2 LEU 12 -4.004 1.874 -3.577
100 3HD2 LEU 12 3HD2 LEU 12 -2.852 1.594 -2.272
101 H GLU 13 H GLU 13 -4.783 -4.082 -1.912
102 HA GLU 13 HA GLU 13 -2.993 -5.129 -0.031
103 1HB GLU 13 1HB GLU 13 -5.366 -6.160 -1.499
104 2HB GLU 13 2HB GLU 13 -4.318 -7.346 -0.733
105 1HG GLU 13 1HG GLU 13 -4.652 -6.363 1.413
106 2HG GLU 13 2HG GLU 13 -5.506 -4.991 0.709
107 H ALA 14 H ALA 14 -3.097 -5.381 -3.489
108 HA ALA 14 HA ALA 14 -1.183 -7.572 -3.552
109 1HB ALA 14 1HB ALA 14 -2.662 -6.057 -5.685
110 2HB ALA 14 2HB ALA 14 -1.371 -7.198 -6.064
111 3HB ALA 14 3HB ALA 14 -2.821 -7.753 -5.230
112 H GLU 15 H GLU 15 -1.340 -4.113 -4.190
113 HA GLU 15 HA GLU 15 1.377 -3.975 -5.142
114 1HB GLU 15 1HB GLU 15 -0.482 -2.426 -5.868
115 2HB GLU 15 2HB GLU 15 -0.390 -1.685 -4.276
116 1HG GLU 15 1HG GLU 15 0.891 -0.293 -5.618
117 2HG GLU 15 2HG GLU 15 2.082 -1.302 -4.799
118 H ASN 16 H ASN 16 -0.335 -2.730 -2.270
119 HA ASN 16 HA ASN 16 1.835 -1.722 -0.888
120 1HB ASN 16 1HB ASN 16 -0.481 -1.375 -0.177
121 2HB ASN 16 2HB ASN 16 -0.630 -3.078 0.235
122 1HD2 ASN 16 2HD2 ASN 16 -1.290 -1.951 2.283
123 2HD2 ASN 16 1HD2 ASN 16 -0.047 -1.640 3.440
124 H TYR 17 H TYR 17 0.791 -5.035 -1.260
125 HA TYR 17 HA TYR 17 2.449 -6.110 0.803
126 1HB TYR 17 1HB TYR 17 0.508 -7.356 0.145
127 2HB TYR 17 2HB TYR 17 1.018 -7.375 -1.539
128 HD1 TYR 17 HD1 TYR 17 2.580 -8.310 1.735
129 HD2 TYR 17 HD2 TYR 17 1.678 -9.454 -2.262
130 HE1 TYR 17 HE1 TYR 17 3.700 -10.468 2.105
131 HE2 TYR 17 HE2 TYR 17 2.793 -11.615 -1.903
132 HH TYR 17 HH TYR 17 3.449 -13.075 -0.120
133 H GLN 18 H GLN 18 2.738 -5.777 -2.706
134 HA GLN 18 HA GLN 18 5.079 -7.225 -3.097
135 1HB GLN 18 1HB GLN 18 3.506 -5.291 -4.577
136 2HB GLN 18 2HB GLN 18 5.224 -5.089 -4.889
137 1HG GLN 18 1HG GLN 18 4.856 -6.642 -6.460
138 2HG GLN 18 2HG GLN 18 5.015 -7.763 -5.108
139 1HE2 GLN 18 2HE2 GLN 18 3.115 -8.608 -4.152
140 2HE2 GLN 18 1HE2 GLN 18 1.632 -8.675 -5.035
141 H LEU 19 H LEU 19 4.622 -4.105 -1.657
142 HA LEU 19 HA LEU 19 7.482 -3.514 -1.809
143 1HB LEU 19 1HB LEU 19 5.300 -1.806 -0.632
144 2HB LEU 19 2HB LEU 19 6.929 -1.309 -1.039
145 HG LEU 19 HG LEU 19 4.806 -2.129 -3.023
146 1HD1 LEU 19 1HD1 LEU 19 4.810 0.173 -1.672
147 2HD1 LEU 19 2HD1 LEU 19 5.938 0.600 -2.958
148 3HD1 LEU 19 3HD1 LEU 19 4.310 0.053 -3.358
149 1HD2 LEU 19 1HD2 LEU 19 7.475 -2.360 -3.380
150 2HD2 LEU 19 2HD2 LEU 19 6.330 -2.007 -4.674
151 3HD2 LEU 19 3HD2 LEU 19 7.219 -0.696 -3.900
152 H GLU 20 H GLU 20 4.900 -3.815 0.621
153 HA GLU 20 HA GLU 20 6.340 -3.413 2.924
154 1HB GLU 20 1HB GLU 20 3.802 -4.170 2.397
155 2HB GLU 20 2HB GLU 20 4.447 -5.684 3.014
156 1HG GLU 20 1HG GLU 20 4.502 -4.937 5.115
157 2HG GLU 20 2HG GLU 20 5.148 -3.367 4.640
158 H GLN 21 H GLN 21 6.428 -6.161 0.793
159 HA GLN 21 HA GLN 21 7.901 -7.797 2.684
160 1HB GLN 21 1HB GLN 21 6.303 -8.313 0.427
161 2HB GLN 21 2HB GLN 21 7.927 -8.821 -0.012
162 1HG GLN 21 1HG GLN 21 7.825 -9.967 2.364
163 2HG GLN 21 2HG GLN 21 6.091 -9.896 2.052
164 1HE2 GLN 21 2HE2 GLN 21 8.729 -11.790 1.781
165 2HE2 GLN 21 1HE2 GLN 21 8.241 -12.805 0.470
166 H GLU 22 H GLU 22 8.521 -5.747 -0.074
167 HA GLU 22 HA GLU 22 11.255 -6.644 -0.369
168 1HB GLU 22 1HB GLU 22 9.971 -5.907 -2.329
169 2HB GLU 22 2HB GLU 22 9.810 -4.304 -1.626
170 1HG GLU 22 1HG GLU 22 11.539 -4.025 -3.119
171 2HG GLU 22 2HG GLU 22 12.390 -4.307 -1.601
172 H VAL 23 H VAL 23 9.541 -3.909 1.025
173 HA VAL 23 HA VAL 23 11.780 -2.288 1.573
174 HB VAL 23 HB VAL 23 9.262 -2.358 3.227
175 1HG1 VAL 23 1HG1 VAL 23 11.198 -0.156 2.530
176 2HG1 VAL 23 2HG1 VAL 23 9.709 0.056 3.451
177 3HG1 VAL 23 3HG1 VAL 23 11.014 -0.940 4.098
178 1HG2 VAL 23 1HG2 VAL 23 9.464 -1.915 0.422
179 2HG2 VAL 23 2HG2 VAL 23 8.044 -1.786 1.460
180 3HG2 VAL 23 3HG2 VAL 23 9.079 -0.382 1.204
181 H ALA 24 H ALA 24 10.160 -4.821 3.421
182 HA ALA 24 HA ALA 24 11.462 -4.480 5.867
183 1HB ALA 24 1HB ALA 24 10.062 -6.731 4.528
184 2HB ALA 24 2HB ALA 24 11.045 -7.094 5.947
185 3HB ALA 24 3HB ALA 24 9.719 -5.938 6.066
186 H GLN 25 H GLN 25 12.568 -5.875 2.882
187 HA GLN 25 HA GLN 25 14.943 -6.990 4.178
188 1HB GLN 25 1HB GLN 25 14.273 -7.136 1.244
189 2HB GLN 25 2HB GLN 25 15.358 -8.171 2.163
190 1HG GLN 25 1HG GLN 25 12.409 -8.056 2.706
191 2HG GLN 25 2HG GLN 25 13.111 -9.138 1.503
192 1HE2 GLN 25 2HE2 GLN 25 15.006 -10.449 2.376
193 2HE2 GLN 25 1HE2 GLN 25 14.783 -11.159 3.934
194 H LEU 26 H LEU 26 13.988 -4.583 1.770
195 HA LEU 26 HA LEU 26 16.541 -3.799 0.942
196 1HB LEU 26 1HB LEU 26 13.901 -2.375 1.060
197 2HB LEU 26 2HB LEU 26 15.343 -1.555 0.501
198 HG LEU 26 HG LEU 26 14.177 -4.048 -0.737
199 1HD1 LEU 26 1HD1 LEU 26 12.895 -1.850 -0.972
200 2HD1 LEU 26 2HD1 LEU 26 14.257 -1.307 -1.953
201 3HD1 LEU 26 3HD1 LEU 26 13.316 -2.713 -2.451
202 1HD2 LEU 26 1HD2 LEU 26 16.540 -2.327 -1.455
203 2HD2 LEU 26 2HD2 LEU 26 16.525 -4.051 -1.090
204 3HD2 LEU 26 3HD2 LEU 26 15.787 -3.459 -2.578
205 H GLU 27 H GLU 27 14.447 -1.914 3.128
206 HA GLU 27 HA GLU 27 16.784 -0.619 4.256
207 1HB GLU 27 1HB GLU 27 15.127 0.733 5.508
208 2HB GLU 27 2HB GLU 27 14.860 0.767 3.771
209 1HG GLU 27 1HG GLU 27 12.857 -0.222 3.929
210 2HG GLU 27 2HG GLU 27 13.386 -1.327 5.197
211 H HIS 28 H HIS 28 17.213 -3.071 4.938
212 HA HIS 28 HA HIS 28 15.897 -3.983 7.292
213 1HB HIS 28 1HB HIS 28 17.197 -5.396 5.618
214 2HB HIS 28 2HB HIS 28 18.659 -4.790 6.389
215 HD1 HIS 28 HD1 HIS 28 15.429 -6.392 7.682
216 HD2 HIS 28 HD2 HIS 28 19.550 -6.548 8.183
217 HE1 HIS 28 HE1 HIS 28 15.864 -8.166 9.430
218 H GLU 29 H GLU 29 18.971 -2.318 6.694
219 HA GLU 29 HA GLU 29 19.653 -2.201 9.479
220 1HB GLU 29 1HB GLU 29 21.320 -2.217 7.597
221 2HB GLU 29 2HB GLU 29 20.818 -0.576 7.214
222 1HG GLU 29 1HG GLU 29 21.807 -1.312 9.943
223 2HG GLU 29 2HG GLU 29 22.915 -0.900 8.636
224 H GLY 30 H GLY 30 19.111 0.452 7.149
225 1HA GLY 30 1HA GLY 30 17.967 2.012 9.379
226 2HA GLY 30 2HA GLY 30 18.804 2.713 8.003
227 1HN NH2 31 1HN NH2 31 15.872 2.379 9.323
228 2HN NH2 31 2HN NH2 31 14.880 2.436 7.910
229 1H ACE 0 1H ACE 0 -18.673 -3.833 6.715
230 2H ACE 0 2H ACE 0 -17.403 -4.678 5.831
231 3H ACE 0 3H ACE 0 -19.039 -5.336 5.868
232 H GLU 1 H GLU 1 -19.893 -2.350 5.658
233 HA GLU 1 HA GLU 1 -20.006 -2.355 2.752
234 1HB GLU 1 1HB GLU 1 -21.339 -0.352 4.560
235 2HB GLU 1 2HB GLU 1 -21.808 -0.840 2.937
236 1HG GLU 1 1HG GLU 1 -21.926 -3.191 4.368
237 2HG GLU 1 2HG GLU 1 -22.519 -1.982 5.505
238 H VAL 2 H VAL 2 -20.418 0.444 2.421
239 HA VAL 2 HA VAL 2 -18.131 1.412 1.495
240 HB VAL 2 HB VAL 2 -18.996 3.757 2.434
241 1HG1 VAL 2 1HG1 VAL 2 -19.103 2.454 0.075
242 2HG1 VAL 2 2HG1 VAL 2 -20.824 2.622 0.427
243 3HG1 VAL 2 3HG1 VAL 2 -19.795 4.052 0.351
244 1HG2 VAL 2 1HG2 VAL 2 -20.710 2.180 3.779
245 2HG2 VAL 2 2HG2 VAL 2 -21.103 3.819 3.256
246 3HG2 VAL 2 3HG2 VAL 2 -21.633 2.435 2.298
247 H GLN 3 H GLN 3 -19.001 3.017 4.497
248 HA GLN 3 HA GLN 3 -16.476 3.805 5.186
249 1HB GLN 3 1HB GLN 3 -17.292 4.205 7.417
250 2HB GLN 3 2HB GLN 3 -18.560 4.603 6.267
251 1HG GLN 3 1HG GLN 3 -19.843 2.769 6.846
252 2HG GLN 3 2HG GLN 3 -18.473 1.905 7.542
253 1HE2 GLN 3 2HE2 GLN 3 -21.171 2.715 8.585
254 2HE2 GLN 3 1HE2 GLN 3 -20.834 3.510 10.082
255 H ALA 4 H ALA 4 -17.902 0.677 5.567
256 HA ALA 4 HA ALA 4 -16.044 -0.304 7.505
257 1HB ALA 4 1HB ALA 4 -18.393 -1.241 6.279
258 2HB ALA 4 2HB ALA 4 -17.129 -2.413 5.912
259 3HB ALA 4 3HB ALA 4 -17.478 -1.992 7.588
260 H LEU 5 H LEU 5 -16.012 0.059 4.061
261 HA LEU 5 HA LEU 5 -13.513 -1.503 3.890
262 1HB LEU 5 1HB LEU 5 -15.754 -1.003 2.003
263 2HB LEU 5 2HB LEU 5 -14.151 -1.132 1.318
264 HG LEU 5 HG LEU 5 -15.068 -3.281 3.170
265 1HD1 LEU 5 1HD1 LEU 5 -16.207 -2.683 0.493
266 2HD1 LEU 5 2HD1 LEU 5 -15.867 -4.366 0.896
267 3HD1 LEU 5 3HD1 LEU 5 -16.959 -3.420 1.906
268 1HD2 LEU 5 1HD2 LEU 5 -12.784 -2.891 1.799
269 2HD2 LEU 5 2HD2 LEU 5 -13.410 -4.485 2.223
270 3HD2 LEU 5 3HD2 LEU 5 -13.700 -3.822 0.615
271 H LYS 6 H LYS 6 -15.161 1.373 2.735
272 HA LYS 6 HA LYS 6 -13.260 2.753 1.389
273 1HB LYS 6 1HB LYS 6 -15.445 3.646 1.570
274 2HB LYS 6 2HB LYS 6 -15.380 3.647 3.325
275 1HG LYS 6 1HG LYS 6 -14.572 5.717 3.363
276 2HG LYS 6 2HG LYS 6 -13.295 5.308 2.216
277 1HD LYS 6 1HD LYS 6 -14.449 6.883 1.011
278 2HD LYS 6 2HD LYS 6 -15.270 5.413 0.482
279 1HE LYS 6 1HE LYS 6 -16.204 7.268 2.669
280 2HE LYS 6 2HE LYS 6 -16.862 7.190 1.036
281 1HZ LYS 6 1HZ LYS 6 -17.327 4.768 1.561
282 2HZ LYS 6 2HZ LYS 6 -17.040 5.162 3.181
283 3HZ LYS 6 3HZ LYS 6 -18.299 5.915 2.338
284 H LYS 7 H LYS 7 -13.431 2.245 4.856
285 HA LYS 7 HA LYS 7 -11.242 4.093 5.361
286 1HB LYS 7 1HB LYS 7 -13.260 2.697 6.986
287 2HB LYS 7 2HB LYS 7 -11.681 2.839 7.744
288 1HG LYS 7 1HG LYS 7 -12.193 4.901 8.350
289 2HG LYS 7 2HG LYS 7 -12.255 5.361 6.647
290 1HD LYS 7 1HD LYS 7 -14.654 3.972 7.577
291 2HD LYS 7 2HD LYS 7 -14.348 5.494 8.415
292 1HE LYS 7 1HE LYS 7 -13.877 6.169 5.812
293 2HE LYS 7 2HE LYS 7 -15.178 4.994 5.654
294 1HZ LYS 7 1HZ LYS 7 -16.124 6.471 7.635
295 2HZ LYS 7 2HZ LYS 7 -15.212 7.651 6.834
296 3HZ LYS 7 3HZ LYS 7 -16.430 6.817 6.007
297 H ARG 8 H ARG 8 -11.815 0.644 5.136
298 HA ARG 8 HA ARG 8 -9.327 -0.108 6.314
299 1HB ARG 8 1HB ARG 8 -9.957 -2.293 5.956
300 2HB ARG 8 2HB ARG 8 -11.518 -1.492 6.002
301 1HG ARG 8 1HG ARG 8 -11.625 -1.514 3.574
302 2HG ARG 8 2HG ARG 8 -10.029 -2.265 3.501
303 1HD ARG 8 1HD ARG 8 -11.562 -3.841 5.251
304 2HD ARG 8 2HD ARG 8 -12.603 -3.485 3.876
305 HE ARG 8 HE ARG 8 -11.235 -4.762 2.532
306 1HH1 ARG 8 1HH1 ARG 8 -9.713 -4.284 5.638
307 2HH1 ARG 8 2HH1 ARG 8 -8.490 -5.477 5.360
308 1HH2 ARG 8 1HH2 ARG 8 -9.627 -6.333 2.169
309 2HH2 ARG 8 2HH2 ARG 8 -8.439 -6.637 3.392
310 H VAL 9 H VAL 9 -10.178 1.119 3.258
311 HA VAL 9 HA VAL 9 -8.099 -0.138 1.737
312 HB VAL 9 HB VAL 9 -9.697 2.366 1.163
313 1HG1 VAL 9 1HG1 VAL 9 -7.358 1.886 -0.005
314 2HG1 VAL 9 2HG1 VAL 9 -8.359 0.831 -1.000
315 3HG1 VAL 9 3HG1 VAL 9 -8.726 2.552 -0.891
316 1HG2 VAL 9 1HG2 VAL 9 -10.721 -0.078 1.313
317 2HG2 VAL 9 2HG2 VAL 9 -11.246 1.084 0.095
318 3HG2 VAL 9 3HG2 VAL 9 -10.080 -0.170 -0.327
319 H GLN 10 H GLN 10 -8.542 3.128 3.093
320 HA GLN 10 HA GLN 10 -6.163 4.279 2.350
321 1HB GLN 10 1HB GLN 10 -6.392 5.729 4.332
322 2HB GLN 10 2HB GLN 10 -7.909 5.541 3.464
323 1HG GLN 10 1HG GLN 10 -8.902 4.418 5.157
324 2HG GLN 10 2HG GLN 10 -7.400 3.665 5.689
325 1HE2 GLN 10 2HE2 GLN 10 -5.760 5.647 6.260
326 2HE2 GLN 10 1HE2 GLN 10 -6.404 6.686 7.481
327 H ALA 11 H ALA 11 -6.724 1.888 4.821
328 HA ALA 11 HA ALA 11 -4.287 2.188 6.225
329 1HB ALA 11 1HB ALA 11 -6.453 0.895 6.857
330 2HB ALA 11 2HB ALA 11 -5.675 -0.448 6.019
331 3HB ALA 11 3HB ALA 11 -4.886 0.301 7.407
332 H LEU 12 H LEU 12 -5.035 0.785 3.173
333 HA LEU 12 HA LEU 12 -2.621 -0.842 3.129
334 1HB LEU 12 1HB LEU 12 -4.299 -0.428 0.703
335 2HB LEU 12 2HB LEU 12 -3.440 -1.858 1.227
336 HG LEU 12 HG LEU 12 -5.819 -0.939 2.792
337 1HD1 LEU 12 1HD1 LEU 12 -6.327 -1.029 0.284
338 2HD1 LEU 12 2HD1 LEU 12 -6.099 -2.770 0.437
339 3HD1 LEU 12 3HD1 LEU 12 -7.356 -1.960 1.371
340 1HD2 LEU 12 1HD2 LEU 12 -4.275 -2.797 3.519
341 2HD2 LEU 12 2HD2 LEU 12 -5.983 -3.219 3.400
342 3HD2 LEU 12 3HD2 LEU 12 -4.862 -3.712 2.130
343 H LYS 13 H LYS 13 -3.989 1.969 1.469
344 HA LYS 13 HA LYS 13 -1.602 2.412 -0.076
345 1HB LYS 13 1HB LYS 13 -2.773 4.473 -0.826
346 2HB LYS 13 2HB LYS 13 -3.695 2.999 -1.083
347 1HG LYS 13 1HG LYS 13 -5.378 4.121 -0.143
348 2HG LYS 13 2HG LYS 13 -4.562 3.776 1.382
349 1HD LYS 13 1HD LYS 13 -4.260 5.949 1.723
350 2HD LYS 13 2HD LYS 13 -3.332 6.053 0.226
351 1HE LYS 13 1HE LYS 13 -5.769 6.046 -0.831
352 2HE LYS 13 2HE LYS 13 -6.183 6.702 0.752
353 1HZ LYS 13 1HZ LYS 13 -4.055 8.184 0.119
354 2HZ LYS 13 2HZ LYS 13 -4.698 7.913 -1.423
355 3HZ LYS 13 3HZ LYS 13 -5.648 8.637 -0.223
356 H ALA 14 H ALA 14 -2.833 3.466 2.989
357 HA ALA 14 HA ALA 14 -1.544 5.898 3.332
358 1HB ALA 14 1HB ALA 14 -2.401 3.743 5.205
359 2HB ALA 14 2HB ALA 14 -1.410 5.068 5.817
360 3HB ALA 14 3HB ALA 14 -2.968 5.407 5.064
361 H ARG 15 H ARG 15 -0.323 2.658 4.171
362 HA ARG 15 HA ARG 15 2.321 3.700 4.701
363 1HB ARG 15 1HB ARG 15 1.111 1.693 5.849
364 2HB ARG 15 2HB ARG 15 1.675 0.780 4.458
365 1HG ARG 15 1HG ARG 15 3.261 0.475 6.189
366 2HG ARG 15 2HG ARG 15 3.993 1.555 5.001
367 1HD ARG 15 1HD ARG 15 4.400 2.306 7.302
368 2HD ARG 15 2HD ARG 15 3.458 3.477 6.380
369 HE ARG 15 HE ARG 15 1.705 1.776 7.763
370 1HH1 ARG 15 1HH1 ARG 15 4.017 4.315 8.386
371 2HH1 ARG 15 2HH1 ARG 15 3.222 4.857 9.825
372 1HH2 ARG 15 1HH2 ARG 15 0.659 2.487 9.657
373 2HH2 ARG 15 2HH2 ARG 15 1.316 3.820 10.547
374 H ASN 16 H ASN 16 0.726 1.745 2.227
375 HA ASN 16 HA ASN 16 2.929 1.002 0.712
376 1HB ASN 16 1HB ASN 16 0.654 0.152 0.328
377 2HB ASN 16 2HB ASN 16 0.166 1.727 -0.279
378 1HD2 ASN 16 2HD2 ASN 16 -0.332 1.150 -2.326
379 2HD2 ASN 16 1HD2 ASN 16 0.815 0.543 -3.466
380 H TYR 17 H TYR 17 0.916 3.924 0.406
381 HA TYR 17 HA TYR 17 2.141 5.089 -1.773
382 1HB TYR 17 1HB TYR 17 0.159 6.086 -0.879
383 2HB TYR 17 2HB TYR 17 0.924 6.361 0.682
384 HD1 TYR 17 HD1 TYR 17 2.018 7.122 -2.810
385 HD2 TYR 17 HD2 TYR 17 1.060 8.642 1.046
386 HE1 TYR 17 HE1 TYR 17 2.688 9.373 -3.539
387 HE2 TYR 17 HE2 TYR 17 1.728 10.898 0.329
388 HH TYR 17 HH TYR 17 3.180 11.933 -1.382
389 H ALA 18 H ALA 18 3.236 4.908 1.542
390 HA ALA 18 HA ALA 18 5.358 6.812 1.227
391 1HB ALA 18 1HB ALA 18 4.220 6.210 3.404
392 2HB ALA 18 2HB ALA 18 5.157 4.716 3.374
393 3HB ALA 18 3HB ALA 18 5.982 6.272 3.442
394 H LEU 19 H LEU 19 5.150 3.264 1.287
395 HA LEU 19 HA LEU 19 7.913 2.793 1.030
396 1HB LEU 19 1HB LEU 19 6.028 0.899 -0.266
397 2HB LEU 19 2HB LEU 19 7.411 0.577 0.753
398 HG LEU 19 HG LEU 19 4.652 1.396 1.633
399 1HD1 LEU 19 1HD1 LEU 19 6.176 -1.104 1.521
400 2HD1 LEU 19 2HD1 LEU 19 5.367 -0.798 3.057
401 3HD1 LEU 19 3HD1 LEU 19 4.435 -0.832 1.561
402 1HD2 LEU 19 1HD2 LEU 19 7.125 2.022 2.881
403 2HD2 LEU 19 2HD2 LEU 19 5.490 2.283 3.487
404 3HD2 LEU 19 3HD2 LEU 19 6.330 0.772 3.839
405 H LYS 20 H LYS 20 5.358 2.706 -1.460
406 HA LYS 20 HA LYS 20 6.780 2.248 -3.716
407 1HB LYS 20 1HB LYS 20 4.248 3.127 -3.184
408 2HB LYS 20 2HB LYS 20 4.929 4.510 -4.028
409 1HG LYS 20 1HG LYS 20 4.995 3.441 -6.006
410 2HG LYS 20 2HG LYS 20 5.435 1.895 -5.277
411 1HD LYS 20 1HD LYS 20 3.298 1.216 -5.154
412 2HD LYS 20 2HD LYS 20 2.730 2.796 -4.612
413 1HE LYS 20 1HE LYS 20 3.589 2.468 -7.446
414 2HE LYS 20 2HE LYS 20 2.025 1.823 -6.953
415 1HZ LYS 20 1HZ LYS 20 2.708 4.578 -6.216
416 2HZ LYS 20 2HZ LYS 20 2.247 4.258 -7.812
417 3HZ LYS 20 3HZ LYS 20 1.196 3.895 -6.539
418 H GLN 21 H GLN 21 6.883 5.157 -1.798
419 HA GLN 21 HA GLN 21 8.311 6.660 -3.809
420 1HB GLN 21 1HB GLN 21 6.779 7.863 -2.396
421 2HB GLN 21 2HB GLN 21 7.580 7.277 -0.946
422 1HG GLN 21 1HG GLN 21 9.404 8.678 -1.235
423 2HG GLN 21 2HG GLN 21 9.079 8.908 -2.953
424 1HE2 GLN 21 2HE2 GLN 21 8.581 10.078 0.197
425 2HE2 GLN 21 1HE2 GLN 21 7.530 11.391 -0.200
426 H LYS 22 H LYS 22 9.064 5.073 -0.726
427 HA LYS 22 HA LYS 22 11.863 5.833 -0.947
428 1HB LYS 22 1HB LYS 22 12.101 4.693 1.237
429 2HB LYS 22 2HB LYS 22 10.871 5.951 1.247
430 1HG LYS 22 1HG LYS 22 9.367 4.503 1.969
431 2HG LYS 22 2HG LYS 22 9.628 3.496 0.545
432 1HD LYS 22 1HD LYS 22 10.073 2.082 2.363
433 2HD LYS 22 2HD LYS 22 11.663 2.576 1.780
434 1HE LYS 22 1HE LYS 22 11.636 2.693 4.183
435 2HE LYS 22 2HE LYS 22 11.712 4.329 3.527
436 1HZ LYS 22 1HZ LYS 22 9.041 3.325 4.014
437 2HZ LYS 22 2HZ LYS 22 9.979 3.541 5.405
438 3HZ LYS 22 3HZ LYS 22 9.709 4.842 4.357
439 H VAL 23 H VAL 23 9.871 2.975 -1.347
440 HA VAL 23 HA VAL 23 11.515 0.862 -1.190
441 HB VAL 23 HB VAL 23 9.610 1.404 -3.470
442 1HG1 VAL 23 1HG1 VAL 23 11.191 -1.020 -2.728
443 2HG1 VAL 23 2HG1 VAL 23 9.586 -1.209 -3.435
444 3HG1 VAL 23 3HG1 VAL 23 10.845 -0.349 -4.322
445 1HG2 VAL 23 1HG2 VAL 23 9.065 1.108 -0.804
446 2HG2 VAL 23 2HG2 VAL 23 7.940 0.773 -2.118
447 3HG2 VAL 23 3HG2 VAL 23 8.884 -0.538 -1.410
448 H GLN 24 H GLN 24 11.274 2.801 -4.184
449 HA GLN 24 HA GLN 24 13.405 1.538 -5.501
450 1HB GLN 24 1HB GLN 24 13.416 3.562 -6.962
451 2HB GLN 24 2HB GLN 24 11.832 2.823 -6.770
452 1HG GLN 24 1HG GLN 24 11.806 4.643 -4.761
453 2HG GLN 24 2HG GLN 24 12.794 5.469 -5.965
454 1HE2 GLN 24 2HE2 GLN 24 11.755 6.601 -7.439
455 2HE2 GLN 24 1HE2 GLN 24 10.096 6.414 -7.884
456 H ALA 25 H ALA 25 13.301 4.248 -3.281
457 HA ALA 25 HA ALA 25 15.927 5.190 -3.697
458 1HB ALA 25 1HB ALA 25 13.817 6.098 -2.294
459 2HB ALA 25 2HB ALA 25 14.805 5.453 -0.984
460 3HB ALA 25 3HB ALA 25 15.467 6.679 -2.064
461 H LEU 26 H LEU 26 14.580 2.827 -1.427
462 HA LEU 26 HA LEU 26 16.907 2.350 0.057
463 1HB LEU 26 1HB LEU 26 14.747 0.344 -0.590
464 2HB LEU 26 2HB LEU 26 15.852 0.295 0.771
465 HG LEU 26 HG LEU 26 13.676 2.340 0.334
466 1HD1 LEU 26 1HD1 LEU 26 13.902 -0.128 2.000
467 2HD1 LEU 26 2HD1 LEU 26 12.921 1.228 2.556
468 3HD1 LEU 26 3HD1 LEU 26 12.554 0.446 1.019
469 1HD2 LEU 26 1HD2 LEU 26 15.886 2.109 2.327
470 2HD2 LEU 26 2HD2 LEU 26 15.258 3.537 1.505
471 3HD2 LEU 26 3HD2 LEU 26 14.338 2.799 2.817
472 H ARG 27 H ARG 27 15.553 0.329 -2.560
473 HA ARG 27 HA ARG 27 17.708 -1.395 -2.827
474 1HB ARG 27 1HB ARG 27 16.872 -1.739 -5.180
475 2HB ARG 27 2HB ARG 27 15.670 -1.950 -3.916
476 1HG ARG 27 1HG ARG 27 15.240 0.622 -4.462
477 2HG ARG 27 2HG ARG 27 15.871 0.107 -6.026
478 1HD ARG 27 1HD ARG 27 14.127 -1.904 -5.439
479 2HD ARG 27 2HD ARG 27 13.320 -0.511 -4.720
480 HE ARG 27 HE ARG 27 14.164 0.175 -7.303
481 1HH1 ARG 27 1HH1 ARG 27 11.849 -1.912 -5.731
482 2HH1 ARG 27 2HH1 ARG 27 10.727 -1.866 -7.048
483 1HH2 ARG 27 1HH2 ARG 27 12.690 0.237 -9.034
484 2HH2 ARG 27 2HH2 ARG 27 11.203 -0.645 -8.925
485 H HIS 28 H HIS 28 17.344 1.876 -3.939
486 HA HIS 28 HA HIS 28 19.340 1.874 -5.935
487 1HB HIS 28 1HB HIS 28 17.544 3.731 -4.895
488 2HB HIS 28 2HB HIS 28 19.125 4.404 -4.515
489 HD1 HIS 28 HD1 HIS 28 18.537 2.441 -7.676
490 HD2 HIS 28 HD2 HIS 28 18.973 6.379 -6.428
491 HE1 HIS 28 HE1 HIS 28 18.794 3.826 -9.776
492 H LYS 29 H LYS 29 19.450 2.238 -2.453
493 HA LYS 29 HA LYS 29 22.277 2.922 -2.494
494 1HB LYS 29 1HB LYS 29 20.325 3.697 -0.825
495 2HB LYS 29 2HB LYS 29 20.899 2.290 0.059
496 1HG LYS 29 1HG LYS 29 23.226 3.597 -0.605
497 2HG LYS 29 2HG LYS 29 22.104 4.915 -0.262
498 1HD LYS 29 1HD LYS 29 21.630 3.088 1.767
499 2HD LYS 29 2HD LYS 29 23.380 3.036 1.551
500 1HE LYS 29 1HE LYS 29 23.554 5.402 1.891
501 2HE LYS 29 2HE LYS 29 21.800 5.580 1.886
502 1HZ LYS 29 1HZ LYS 29 21.805 4.089 3.890
503 2HZ LYS 29 2HZ LYS 29 23.485 4.282 3.948
504 3HZ LYS 29 3HZ LYS 29 22.474 5.626 4.125
505 H GLY 30 H GLY 30 22.089 0.554 -3.682
506 1HA GLY 30 1HA GLY 30 23.515 -1.174 -1.858
507 2HA GLY 30 2HA GLY 30 21.963 -1.813 -2.377
508 1HN NH2 31 1HN NH2 31 21.873 -2.888 -4.239
509 2HN NH2 31 2HN NH2 31 23.126 -2.944 -5.427
Start of MODEL 23
1 1H ACE 0 1H ACE 0 -19.439 8.033 -3.963
2 2H ACE 0 2H ACE 0 -18.966 8.773 -5.493
3 3H ACE 0 3H ACE 0 -17.738 8.088 -4.429
4 H GLU 1 H GLU 1 -16.955 6.634 -5.972
5 HA GLU 1 HA GLU 1 -18.781 4.715 -7.169
6 1HB GLU 1 1HB GLU 1 -15.775 4.761 -7.416
7 2HB GLU 1 2HB GLU 1 -16.934 3.998 -8.495
8 1HG GLU 1 1HG GLU 1 -16.643 5.821 -9.745
9 2HG GLU 1 2HG GLU 1 -17.748 6.581 -8.601
10 H VAL 2 H VAL 2 -19.403 3.041 -5.981
11 HA VAL 2 HA VAL 2 -18.172 2.122 -3.650
12 HB VAL 2 HB VAL 2 -19.906 0.453 -5.472
13 1HG1 VAL 2 1HG1 VAL 2 -18.913 0.201 -2.706
14 2HG1 VAL 2 2HG1 VAL 2 -20.610 -0.207 -2.961
15 3HG1 VAL 2 3HG1 VAL 2 -19.355 -1.045 -3.874
16 1HG2 VAL 2 1HG2 VAL 2 -20.567 2.734 -3.679
17 2HG2 VAL 2 2HG2 VAL 2 -21.285 2.261 -5.218
18 3HG2 VAL 2 3HG2 VAL 2 -21.685 1.371 -3.749
19 H ALA 3 H ALA 3 -18.006 0.848 -6.962
20 HA ALA 3 HA ALA 3 -16.434 -1.390 -6.482
21 1HB ALA 3 1HB ALA 3 -17.550 -0.295 -8.684
22 2HB ALA 3 2HB ALA 3 -15.845 0.051 -8.978
23 3HB ALA 3 3HB ALA 3 -16.377 -1.611 -8.720
24 H GLN 4 H GLN 4 -15.565 1.955 -6.444
25 HA GLN 4 HA GLN 4 -12.723 1.430 -6.708
26 1HB GLN 4 1HB GLN 4 -14.352 3.926 -6.296
27 2HB GLN 4 2HB GLN 4 -12.598 3.938 -6.183
28 1HG GLN 4 1HG GLN 4 -13.794 2.721 -8.600
29 2HG GLN 4 2HG GLN 4 -13.897 4.473 -8.434
30 1HE2 GLN 4 2HE2 GLN 4 -11.889 1.793 -9.120
31 2HE2 GLN 4 1HE2 GLN 4 -10.432 2.671 -9.423
32 H LEU 5 H LEU 5 -14.724 0.769 -4.304
33 HA LEU 5 HA LEU 5 -12.854 1.654 -2.206
34 1HB LEU 5 1HB LEU 5 -15.718 0.875 -1.728
35 2HB LEU 5 2HB LEU 5 -14.636 1.742 -0.655
36 HG LEU 5 HG LEU 5 -15.798 2.823 -3.224
37 1HD1 LEU 5 1HD1 LEU 5 -16.608 2.976 -0.376
38 2HD1 LEU 5 2HD1 LEU 5 -16.763 4.436 -1.353
39 3HD1 LEU 5 3HD1 LEU 5 -17.594 2.958 -1.839
40 1HD2 LEU 5 1HD2 LEU 5 -13.775 3.855 -1.295
41 2HD2 LEU 5 2HD2 LEU 5 -13.824 3.979 -3.053
42 3HD2 LEU 5 3HD2 LEU 5 -14.881 4.989 -2.068
43 H GLU 6 H GLU 6 -14.869 -0.988 -3.393
44 HA GLU 6 HA GLU 6 -13.971 -2.848 -1.399
45 1HB GLU 6 1HB GLU 6 -15.254 -3.572 -4.025
46 2HB GLU 6 2HB GLU 6 -15.301 -4.463 -2.511
47 1HG GLU 6 1HG GLU 6 -16.720 -2.779 -1.520
48 2HG GLU 6 2HG GLU 6 -16.608 -1.791 -2.975
49 H LYS 7 H LYS 7 -13.537 -2.740 -4.940
50 HA LYS 7 HA LYS 7 -11.523 -4.687 -5.042
51 1HB LYS 7 1HB LYS 7 -11.891 -2.385 -6.962
52 2HB LYS 7 2HB LYS 7 -11.097 -3.918 -7.293
53 1HG LYS 7 1HG LYS 7 -13.272 -5.058 -6.918
54 2HG LYS 7 2HG LYS 7 -14.025 -3.469 -6.766
55 1HD LYS 7 1HD LYS 7 -12.440 -4.325 -9.178
56 2HD LYS 7 2HD LYS 7 -14.187 -4.539 -9.043
57 1HE LYS 7 1HE LYS 7 -14.613 -2.334 -9.312
58 2HE LYS 7 2HE LYS 7 -13.161 -1.839 -8.442
59 1HZ LYS 7 1HZ LYS 7 -13.233 -2.879 -11.224
60 2HZ LYS 7 2HZ LYS 7 -13.044 -1.257 -10.786
61 3HZ LYS 7 3HZ LYS 7 -11.847 -2.383 -10.391
62 H GLU 8 H GLU 8 -11.415 -1.273 -4.359
63 HA GLU 8 HA GLU 8 -8.738 -0.721 -4.834
64 1HB GLU 8 1HB GLU 8 -10.637 0.848 -4.115
65 2HB GLU 8 2HB GLU 8 -10.210 0.400 -2.469
66 1HG GLU 8 1HG GLU 8 -8.344 1.643 -2.481
67 2HG GLU 8 2HG GLU 8 -7.958 1.237 -4.150
68 H VAL 9 H VAL 9 -10.226 -2.559 -2.292
69 HA VAL 9 HA VAL 9 -8.025 -2.496 -0.482
70 HB VAL 9 HB VAL 9 -10.325 -4.441 -0.714
71 1HG1 VAL 9 1HG1 VAL 9 -8.059 -4.274 1.232
72 2HG1 VAL 9 2HG1 VAL 9 -9.633 -4.876 1.751
73 3HG1 VAL 9 3HG1 VAL 9 -8.762 -5.692 0.452
74 1HG2 VAL 9 1HG2 VAL 9 -9.829 -2.112 1.135
75 2HG2 VAL 9 2HG2 VAL 9 -11.024 -2.189 -0.159
76 3HG2 VAL 9 3HG2 VAL 9 -11.185 -3.234 1.252
77 H ALA 10 H ALA 10 -9.244 -5.047 -2.665
78 HA ALA 10 HA ALA 10 -7.120 -6.827 -2.319
79 1HB ALA 10 1HB ALA 10 -9.453 -6.828 -3.762
80 2HB ALA 10 2HB ALA 10 -8.222 -6.813 -5.024
81 3HB ALA 10 3HB ALA 10 -8.221 -8.089 -3.806
82 H GLN 11 H GLN 11 -7.392 -3.918 -4.185
83 HA GLN 11 HA GLN 11 -5.214 -4.360 -5.948
84 1HB GLN 11 1HB GLN 11 -6.930 -2.690 -6.420
85 2HB GLN 11 2HB GLN 11 -6.476 -1.785 -4.984
86 1HG GLN 11 1HG GLN 11 -5.238 -0.576 -6.389
87 2HG GLN 11 2HG GLN 11 -4.105 -1.923 -6.304
88 1HE2 GLN 11 2HE2 GLN 11 -6.766 -0.556 -8.147
89 2HE2 GLN 11 1HE2 GLN 11 -6.345 -1.288 -9.654
90 H LEU 12 H LEU 12 -5.503 -2.526 -2.899
91 HA LEU 12 HA LEU 12 -2.676 -1.995 -2.814
92 1HB LEU 12 1HB LEU 12 -4.688 -1.673 -0.590
93 2HB LEU 12 2HB LEU 12 -3.108 -0.922 -0.704
94 HG LEU 12 HG LEU 12 -5.312 -0.369 -2.681
95 1HD1 LEU 12 1HD1 LEU 12 -4.600 1.154 -0.179
96 2HD1 LEU 12 2HD1 LEU 12 -5.729 1.689 -1.424
97 3HD1 LEU 12 3HD1 LEU 12 -6.089 0.254 -0.465
98 1HD2 LEU 12 1HD2 LEU 12 -2.584 0.696 -2.147
99 2HD2 LEU 12 2HD2 LEU 12 -3.393 0.378 -3.681
100 3HD2 LEU 12 3HD2 LEU 12 -3.824 1.803 -2.736
101 H GLU 13 H GLU 13 -4.886 -4.308 -1.362
102 HA GLU 13 HA GLU 13 -3.187 -5.324 0.619
103 1HB GLU 13 1HB GLU 13 -5.591 -6.305 -0.822
104 2HB GLU 13 2HB GLU 13 -4.609 -7.517 -0.009
105 1HG GLU 13 1HG GLU 13 -4.834 -6.285 2.091
106 2HG GLU 13 2HG GLU 13 -5.831 -5.082 1.273
107 H ALA 14 H ALA 14 -3.260 -5.791 -2.819
108 HA ALA 14 HA ALA 14 -1.432 -8.054 -2.715
109 1HB ALA 14 1HB ALA 14 -2.997 -6.700 -4.858
110 2HB ALA 14 2HB ALA 14 -1.573 -7.638 -5.306
111 3HB ALA 14 3HB ALA 14 -2.901 -8.411 -4.440
112 H GLU 15 H GLU 15 -1.451 -4.635 -3.538
113 HA GLU 15 HA GLU 15 1.286 -4.661 -4.462
114 1HB GLU 15 1HB GLU 15 -0.651 -3.093 -5.214
115 2HB GLU 15 2HB GLU 15 -0.247 -2.174 -3.771
116 1HG GLU 15 1HG GLU 15 0.952 -1.131 -5.464
117 2HG GLU 15 2HG GLU 15 2.143 -2.158 -4.667
118 H ASN 16 H ASN 16 -0.429 -3.079 -1.758
119 HA ASN 16 HA ASN 16 1.742 -2.068 -0.395
120 1HB ASN 16 1HB ASN 16 -0.609 -1.612 0.201
121 2HB ASN 16 2HB ASN 16 -0.771 -3.254 0.807
122 1HD2 ASN 16 2HD2 ASN 16 -1.401 -2.208 2.789
123 2HD2 ASN 16 1HD2 ASN 16 -0.185 -1.651 3.883
124 H TYR 17 H TYR 17 0.492 -5.348 -0.426
125 HA TYR 17 HA TYR 17 2.146 -6.285 1.711
126 1HB TYR 17 1HB TYR 17 0.068 -7.426 1.231
127 2HB TYR 17 2HB TYR 17 0.581 -7.753 -0.420
128 HD1 TYR 17 HD1 TYR 17 2.076 -8.262 2.976
129 HD2 TYR 17 HD2 TYR 17 1.057 -9.971 -0.784
130 HE1 TYR 17 HE1 TYR 17 3.025 -10.410 3.703
131 HE2 TYR 17 HE2 TYR 17 2.003 -12.126 -0.068
132 HH TYR 17 HH TYR 17 2.469 -13.304 2.094
133 H GLN 18 H GLN 18 2.306 -6.455 -1.827
134 HA GLN 18 HA GLN 18 4.557 -8.083 -2.052
135 1HB GLN 18 1HB GLN 18 2.888 -6.734 -3.803
136 2HB GLN 18 2HB GLN 18 4.455 -5.984 -4.077
137 1HG GLN 18 1HG GLN 18 5.229 -7.762 -5.161
138 2HG GLN 18 2HG GLN 18 4.626 -8.876 -3.935
139 1HE2 GLN 18 2HE2 GLN 18 3.418 -10.358 -4.862
140 2HE2 GLN 18 1HE2 GLN 18 2.230 -10.088 -6.086
141 H LEU 19 H LEU 19 4.322 -4.565 -1.711
142 HA LEU 19 HA LEU 19 7.144 -4.151 -1.921
143 1HB LEU 19 1HB LEU 19 5.113 -2.280 -0.726
144 2HB LEU 19 2HB LEU 19 6.686 -1.864 -1.375
145 HG LEU 19 HG LEU 19 4.576 -3.072 -3.135
146 1HD1 LEU 19 1HD1 LEU 19 3.852 -0.939 -1.822
147 2HD1 LEU 19 2HD1 LEU 19 4.932 -0.117 -2.948
148 3HD1 LEU 19 3HD1 LEU 19 3.566 -1.050 -3.558
149 1HD2 LEU 19 1HD2 LEU 19 7.136 -1.578 -3.489
150 2HD2 LEU 19 2HD2 LEU 19 6.571 -3.048 -4.285
151 3HD2 LEU 19 3HD2 LEU 19 5.891 -1.484 -4.735
152 H GLU 20 H GLU 20 4.835 -4.077 0.793
153 HA GLU 20 HA GLU 20 6.489 -3.432 2.869
154 1HB GLU 20 1HB GLU 20 3.994 -3.958 2.922
155 2HB GLU 20 2HB GLU 20 4.457 -5.645 3.094
156 1HG GLU 20 1HG GLU 20 5.919 -4.140 5.000
157 2HG GLU 20 2HG GLU 20 4.228 -3.648 5.093
158 H GLN 21 H GLN 21 6.407 -6.417 1.083
159 HA GLN 21 HA GLN 21 8.063 -7.838 2.980
160 1HB GLN 21 1HB GLN 21 6.288 -8.619 1.029
161 2HB GLN 21 2HB GLN 21 7.842 -8.968 0.288
162 1HG GLN 21 1HG GLN 21 7.999 -10.826 1.468
163 2HG GLN 21 2HG GLN 21 7.935 -9.893 2.962
164 1HE2 GLN 21 2HE2 GLN 21 6.443 -12.242 1.145
165 2HE2 GLN 21 1HE2 GLN 21 4.906 -12.260 1.932
166 H GLU 22 H GLU 22 8.448 -6.136 -0.071
167 HA GLU 22 HA GLU 22 11.199 -6.956 -0.382
168 1HB GLU 22 1HB GLU 22 9.226 -5.894 -2.067
169 2HB GLU 22 2HB GLU 22 10.460 -4.647 -1.963
170 1HG GLU 22 1HG GLU 22 12.135 -6.485 -2.499
171 2HG GLU 22 2HG GLU 22 10.737 -7.468 -2.939
172 H VAL 23 H VAL 23 9.449 -4.091 0.678
173 HA VAL 23 HA VAL 23 11.637 -2.344 0.907
174 HB VAL 23 HB VAL 23 9.198 -2.309 2.683
175 1HG1 VAL 23 1HG1 VAL 23 11.403 -0.723 2.745
176 2HG1 VAL 23 2HG1 VAL 23 10.353 0.187 1.660
177 3HG1 VAL 23 3HG1 VAL 23 9.798 -0.229 3.281
178 1HG2 VAL 23 1HG2 VAL 23 9.196 -2.261 -0.113
179 2HG2 VAL 23 2HG2 VAL 23 7.878 -1.803 0.966
180 3HG2 VAL 23 3HG2 VAL 23 9.008 -0.580 0.384
181 H ALA 24 H ALA 24 10.290 -4.737 3.105
182 HA ALA 24 HA ALA 24 11.668 -4.035 5.434
183 1HB ALA 24 1HB ALA 24 9.781 -5.745 5.102
184 2HB ALA 24 2HB ALA 24 11.071 -6.883 4.711
185 3HB ALA 24 3HB ALA 24 11.030 -6.108 6.294
186 H GLN 25 H GLN 25 12.749 -5.620 2.545
187 HA GLN 25 HA GLN 25 15.275 -6.376 3.828
188 1HB GLN 25 1HB GLN 25 14.183 -7.098 1.102
189 2HB GLN 25 2HB GLN 25 15.707 -7.668 1.771
190 1HG GLN 25 1HG GLN 25 13.835 -8.314 3.706
191 2HG GLN 25 2HG GLN 25 13.017 -8.647 2.181
192 1HE2 GLN 25 2HE2 GLN 25 15.747 -9.431 4.202
193 2HE2 GLN 25 1HE2 GLN 25 16.149 -10.921 3.425
194 H LEU 26 H LEU 26 13.889 -4.246 1.434
195 HA LEU 26 HA LEU 26 16.261 -3.474 0.131
196 1HB LEU 26 1HB LEU 26 13.590 -2.157 0.508
197 2HB LEU 26 2HB LEU 26 14.893 -1.331 -0.324
198 HG LEU 26 HG LEU 26 13.551 -3.899 -1.157
199 1HD1 LEU 26 1HD1 LEU 26 13.397 -1.065 -1.988
200 2HD1 LEU 26 2HD1 LEU 26 13.371 -2.280 -3.267
201 3HD1 LEU 26 3HD1 LEU 26 12.157 -2.320 -1.987
202 1HD2 LEU 26 1HD2 LEU 26 16.098 -2.626 -2.043
203 2HD2 LEU 26 2HD2 LEU 26 15.708 -4.332 -1.825
204 3HD2 LEU 26 3HD2 LEU 26 15.088 -3.458 -3.225
205 H GLU 27 H GLU 27 14.545 -2.050 2.901
206 HA GLU 27 HA GLU 27 16.709 -0.147 3.315
207 1HB GLU 27 1HB GLU 27 15.242 0.618 5.233
208 2HB GLU 27 2HB GLU 27 14.554 0.791 3.625
209 1HG GLU 27 1HG GLU 27 12.884 -0.628 4.052
210 2HG GLU 27 2HG GLU 27 13.927 -1.751 4.922
211 H HIS 28 H HIS 28 17.819 -2.530 3.605
212 HA HIS 28 HA HIS 28 17.720 -3.346 6.397
213 1HB HIS 28 1HB HIS 28 18.000 -4.840 4.210
214 2HB HIS 28 2HB HIS 28 19.703 -4.505 4.500
215 HD1 HIS 28 HD1 HIS 28 17.000 -6.725 5.543
216 HD2 HIS 28 HD2 HIS 28 20.578 -5.349 7.144
217 HE1 HIS 28 HE1 HIS 28 17.581 -8.297 7.438
218 H GLU 29 H GLU 29 20.161 -2.176 4.083
219 HA GLU 29 HA GLU 29 22.018 -1.655 6.262
220 1HB GLU 29 1HB GLU 29 22.207 -1.660 3.276
221 2HB GLU 29 2HB GLU 29 23.411 -0.787 4.215
222 1HG GLU 29 1HG GLU 29 22.809 -3.591 4.978
223 2HG GLU 29 2HG GLU 29 23.743 -3.305 3.510
224 H GLY 30 H GLY 30 19.444 -0.065 5.645
225 1HA GLY 30 1HA GLY 30 20.576 2.579 5.136
226 2HA GLY 30 2HA GLY 30 18.867 2.184 5.234
227 1HN NH2 31 1HN NH2 31 19.658 4.386 6.502
228 2HN NH2 31 2HN NH2 31 19.684 4.156 8.213
229 1H ACE 0 1H ACE 0 -17.416 -4.271 3.801
230 2H ACE 0 2H ACE 0 -18.531 -5.475 3.153
231 3H ACE 0 3H ACE 0 -19.071 -4.356 4.406
232 H GLU 1 H GLU 1 -19.857 -2.387 3.823
233 HA GLU 1 HA GLU 1 -20.247 -1.914 0.985
234 1HB GLU 1 1HB GLU 1 -21.303 -0.194 3.217
235 2HB GLU 1 2HB GLU 1 -21.951 -0.396 1.595
236 1HG GLU 1 1HG GLU 1 -22.352 -2.837 2.275
237 2HG GLU 1 2HG GLU 1 -22.110 -2.266 3.925
238 H VAL 2 H VAL 2 -20.530 0.860 0.985
239 HA VAL 2 HA VAL 2 -18.100 1.786 0.213
240 HB VAL 2 HB VAL 2 -20.285 3.415 1.502
241 1HG1 VAL 2 1HG1 VAL 2 -17.692 4.217 0.741
242 2HG1 VAL 2 2HG1 VAL 2 -18.799 4.837 -0.484
243 3HG1 VAL 2 3HG1 VAL 2 -19.050 5.237 1.213
244 1HG2 VAL 2 1HG2 VAL 2 -19.903 2.234 -1.174
245 2HG2 VAL 2 2HG2 VAL 2 -21.386 2.615 -0.299
246 3HG2 VAL 2 3HG2 VAL 2 -20.500 3.893 -1.130
247 H GLN 3 H GLN 3 -19.304 3.398 3.081
248 HA GLN 3 HA GLN 3 -16.808 4.006 4.116
249 1HB GLN 3 1HB GLN 3 -19.324 4.735 4.736
250 2HB GLN 3 2HB GLN 3 -19.002 3.636 6.071
251 1HG GLN 3 1HG GLN 3 -17.331 4.960 6.938
252 2HG GLN 3 2HG GLN 3 -17.017 5.756 5.396
253 1HE2 GLN 3 2HE2 GLN 3 -17.279 7.838 5.949
254 2HE2 GLN 3 1HE2 GLN 3 -18.742 8.512 6.574
255 H ALA 4 H ALA 4 -18.674 1.091 4.422
256 HA ALA 4 HA ALA 4 -17.404 0.057 6.735
257 1HB ALA 4 1HB ALA 4 -19.471 -0.746 5.029
258 2HB ALA 4 2HB ALA 4 -18.270 -2.037 4.970
259 3HB ALA 4 3HB ALA 4 -18.941 -1.527 6.520
260 H LEU 5 H LEU 5 -16.534 0.108 3.364
261 HA LEU 5 HA LEU 5 -14.187 -1.588 3.943
262 1HB LEU 5 1HB LEU 5 -15.867 -1.170 1.531
263 2HB LEU 5 2HB LEU 5 -14.159 -1.440 1.274
264 HG LEU 5 HG LEU 5 -15.853 -3.322 2.904
265 1HD1 LEU 5 1HD1 LEU 5 -16.605 -2.929 0.457
266 2HD1 LEU 5 2HD1 LEU 5 -15.142 -3.824 0.043
267 3HD1 LEU 5 3HD1 LEU 5 -16.387 -4.580 1.037
268 1HD2 LEU 5 1HD2 LEU 5 -13.105 -3.357 1.731
269 2HD2 LEU 5 2HD2 LEU 5 -13.640 -3.805 3.350
270 3HD2 LEU 5 3HD2 LEU 5 -13.975 -4.870 1.985
271 H LYS 6 H LYS 6 -15.319 1.312 2.369
272 HA LYS 6 HA LYS 6 -13.066 2.427 1.321
273 1HB LYS 6 1HB LYS 6 -15.138 3.503 0.983
274 2HB LYS 6 2HB LYS 6 -15.460 3.590 2.704
275 1HG LYS 6 1HG LYS 6 -14.500 5.591 2.865
276 2HG LYS 6 2HG LYS 6 -13.057 5.045 2.010
277 1HD LYS 6 1HD LYS 6 -13.712 6.442 0.385
278 2HD LYS 6 2HD LYS 6 -14.905 5.203 -0.006
279 1HE LYS 6 1HE LYS 6 -16.380 6.879 0.263
280 2HE LYS 6 2HE LYS 6 -16.183 6.526 1.979
281 1HZ LYS 6 1HZ LYS 6 -14.249 8.364 0.835
282 2HZ LYS 6 2HZ LYS 6 -15.837 8.941 0.929
283 3HZ LYS 6 3HZ LYS 6 -15.042 8.417 2.327
284 H LYS 7 H LYS 7 -13.941 2.129 4.695
285 HA LYS 7 HA LYS 7 -11.871 3.936 5.595
286 1HB LYS 7 1HB LYS 7 -14.160 2.583 6.765
287 2HB LYS 7 2HB LYS 7 -12.741 2.463 7.796
288 1HG LYS 7 1HG LYS 7 -13.787 4.398 8.524
289 2HG LYS 7 2HG LYS 7 -12.521 4.996 7.449
290 1HD LYS 7 1HD LYS 7 -15.080 4.421 6.131
291 2HD LYS 7 2HD LYS 7 -15.141 5.723 7.320
292 1HE LYS 7 1HE LYS 7 -12.886 5.720 5.391
293 2HE LYS 7 2HE LYS 7 -14.483 6.145 4.779
294 1HZ LYS 7 1HZ LYS 7 -14.396 7.638 6.970
295 2HZ LYS 7 2HZ LYS 7 -12.747 7.601 6.597
296 3HZ LYS 7 3HZ LYS 7 -13.857 8.182 5.462
297 H ARG 8 H ARG 8 -12.194 0.550 4.963
298 HA ARG 8 HA ARG 8 -9.922 -0.195 6.579
299 1HB ARG 8 1HB ARG 8 -10.392 -2.408 6.005
300 2HB ARG 8 2HB ARG 8 -11.974 -1.650 6.056
301 1HG ARG 8 1HG ARG 8 -12.371 -2.371 4.001
302 2HG ARG 8 2HG ARG 8 -11.023 -1.404 3.404
303 1HD ARG 8 1HD ARG 8 -9.933 -3.276 2.912
304 2HD ARG 8 2HD ARG 8 -9.903 -3.686 4.624
305 HE ARG 8 HE ARG 8 -11.604 -4.815 2.597
306 1HH1 ARG 8 1HH1 ARG 8 -11.209 -4.237 6.016
307 2HH1 ARG 8 2HH1 ARG 8 -12.243 -5.544 6.483
308 1HH2 ARG 8 1HH2 ARG 8 -12.965 -6.535 3.210
309 2HH2 ARG 8 2HH2 ARG 8 -13.240 -6.849 4.891
310 H VAL 9 H VAL 9 -10.521 0.763 3.303
311 HA VAL 9 HA VAL 9 -8.212 -0.341 2.106
312 HB VAL 9 HB VAL 9 -9.756 2.129 1.295
313 1HG1 VAL 9 1HG1 VAL 9 -7.326 1.511 0.369
314 2HG1 VAL 9 2HG1 VAL 9 -8.300 0.494 -0.691
315 3HG1 VAL 9 3HG1 VAL 9 -8.580 2.233 -0.635
316 1HG2 VAL 9 1HG2 VAL 9 -10.767 -0.359 1.453
317 2HG2 VAL 9 2HG2 VAL 9 -11.267 0.823 0.243
318 3HG2 VAL 9 3HG2 VAL 9 -10.074 -0.410 -0.168
319 H GLN 10 H GLN 10 -8.829 2.692 3.789
320 HA GLN 10 HA GLN 10 -6.484 4.052 3.139
321 1HB GLN 10 1HB GLN 10 -6.882 5.397 5.120
322 2HB GLN 10 2HB GLN 10 -8.402 5.081 4.296
323 1HG GLN 10 1HG GLN 10 -9.258 4.237 6.145
324 2HG GLN 10 2HG GLN 10 -7.978 3.026 6.213
325 1HE2 GLN 10 2HE2 GLN 10 -5.868 3.862 7.103
326 2HE2 GLN 10 1HE2 GLN 10 -5.962 4.900 8.481
327 H ALA 11 H ALA 11 -6.957 1.303 5.156
328 HA ALA 11 HA ALA 11 -4.522 1.669 6.667
329 1HB ALA 11 1HB ALA 11 -6.799 0.345 7.210
330 2HB ALA 11 2HB ALA 11 -5.797 -0.986 6.630
331 3HB ALA 11 3HB ALA 11 -5.255 -0.001 7.988
332 H LEU 12 H LEU 12 -4.924 0.969 3.528
333 HA LEU 12 HA LEU 12 -2.715 -0.982 3.497
334 1HB LEU 12 1HB LEU 12 -4.387 -0.588 1.073
335 2HB LEU 12 2HB LEU 12 -3.577 -2.028 1.649
336 HG LEU 12 HG LEU 12 -5.945 -0.991 3.156
337 1HD1 LEU 12 1HD1 LEU 12 -6.027 -2.586 0.605
338 2HD1 LEU 12 2HD1 LEU 12 -7.374 -2.447 1.735
339 3HD1 LEU 12 3HD1 LEU 12 -6.764 -1.013 0.911
340 1HD2 LEU 12 1HD2 LEU 12 -4.412 -3.511 2.901
341 2HD2 LEU 12 2HD2 LEU 12 -5.152 -2.769 4.321
342 3HD2 LEU 12 3HD2 LEU 12 -6.150 -3.648 3.164
343 H LYS 13 H LYS 13 -4.139 1.717 1.673
344 HA LYS 13 HA LYS 13 -1.735 2.180 0.185
345 1HB LYS 13 1HB LYS 13 -2.966 4.287 -0.536
346 2HB LYS 13 2HB LYS 13 -3.711 2.753 -0.956
347 1HG LYS 13 1HG LYS 13 -5.393 4.294 -0.206
348 2HG LYS 13 2HG LYS 13 -5.228 2.997 0.977
349 1HD LYS 13 1HD LYS 13 -4.392 4.379 2.571
350 2HD LYS 13 2HD LYS 13 -3.557 5.400 1.401
351 1HE LYS 13 1HE LYS 13 -6.407 5.599 1.056
352 2HE LYS 13 2HE LYS 13 -5.967 5.935 2.730
353 1HZ LYS 13 1HZ LYS 13 -4.219 7.468 1.731
354 2HZ LYS 13 2HZ LYS 13 -5.086 7.338 0.284
355 3HZ LYS 13 3HZ LYS 13 -5.829 7.982 1.660
356 H ALA 14 H ALA 14 -2.915 3.189 3.247
357 HA ALA 14 HA ALA 14 -1.749 5.696 3.541
358 1HB ALA 14 1HB ALA 14 -2.444 3.514 5.460
359 2HB ALA 14 2HB ALA 14 -1.573 4.940 6.024
360 3HB ALA 14 3HB ALA 14 -3.160 5.115 5.274
361 H ARG 15 H ARG 15 -0.375 2.548 4.511
362 HA ARG 15 HA ARG 15 2.222 3.724 4.946
363 1HB ARG 15 1HB ARG 15 1.155 1.739 6.212
364 2HB ARG 15 2HB ARG 15 1.659 0.772 4.832
365 1HG ARG 15 1HG ARG 15 3.350 0.547 6.454
366 2HG ARG 15 2HG ARG 15 3.992 1.640 5.226
367 1HD ARG 15 1HD ARG 15 2.575 2.784 7.586
368 2HD ARG 15 2HD ARG 15 4.222 2.189 7.786
369 HE ARG 15 HE ARG 15 4.415 3.783 5.616
370 1HH1 ARG 15 1HH1 ARG 15 3.096 4.272 8.809
371 2HH1 ARG 15 2HH1 ARG 15 3.449 5.967 8.831
372 1HH2 ARG 15 1HH2 ARG 15 4.881 6.011 5.643
373 2HH2 ARG 15 2HH2 ARG 15 4.461 6.955 7.034
374 H ASN 16 H ASN 16 0.686 1.674 2.519
375 HA ASN 16 HA ASN 16 2.915 0.936 1.037
376 1HB ASN 16 1HB ASN 16 0.689 0.006 0.637
377 2HB ASN 16 2HB ASN 16 0.128 1.562 0.042
378 1HD2 ASN 16 2HD2 ASN 16 -0.294 -0.395 -1.612
379 2HD2 ASN 16 1HD2 ASN 16 0.837 -0.420 -2.918
380 H TYR 17 H TYR 17 0.868 3.824 0.682
381 HA TYR 17 HA TYR 17 2.045 4.963 -1.534
382 1HB TYR 17 1HB TYR 17 0.041 5.888 -0.503
383 2HB TYR 17 2HB TYR 17 0.961 6.360 0.921
384 HD1 TYR 17 HD1 TYR 17 2.514 8.254 0.826
385 HD2 TYR 17 HD2 TYR 17 0.142 7.179 -2.537
386 HE1 TYR 17 HE1 TYR 17 2.993 10.436 -0.200
387 HE2 TYR 17 HE2 TYR 17 0.614 9.358 -3.573
388 HH TYR 17 HH TYR 17 1.882 11.951 -1.905
389 H ALA 18 H ALA 18 3.248 4.812 1.740
390 HA ALA 18 HA ALA 18 5.326 6.754 1.324
391 1HB ALA 18 1HB ALA 18 4.153 5.781 3.548
392 2HB ALA 18 2HB ALA 18 5.627 4.814 3.523
393 3HB ALA 18 3HB ALA 18 5.728 6.574 3.538
394 H LEU 19 H LEU 19 5.238 3.202 1.635
395 HA LEU 19 HA LEU 19 7.995 2.837 1.137
396 1HB LEU 19 1HB LEU 19 6.089 0.721 0.294
397 2HB LEU 19 2HB LEU 19 7.596 0.582 1.171
398 HG LEU 19 HG LEU 19 4.910 1.377 2.277
399 1HD1 LEU 19 1HD1 LEU 19 6.771 -0.930 2.807
400 2HD1 LEU 19 2HD1 LEU 19 5.316 -0.578 3.738
401 3HD1 LEU 19 3HD1 LEU 19 5.190 -0.996 2.030
402 1HD2 LEU 19 1HD2 LEU 19 7.639 1.855 3.309
403 2HD2 LEU 19 2HD2 LEU 19 6.143 2.744 3.596
404 3HD2 LEU 19 3HD2 LEU 19 6.451 1.236 4.457
405 H LYS 20 H LYS 20 5.158 2.477 -0.975
406 HA LYS 20 HA LYS 20 6.308 1.785 -3.347
407 1HB LYS 20 1HB LYS 20 3.822 2.547 -2.594
408 2HB LYS 20 2HB LYS 20 4.293 3.935 -3.564
409 1HG LYS 20 1HG LYS 20 4.827 2.392 -5.427
410 2HG LYS 20 2HG LYS 20 4.210 1.059 -4.450
411 1HD LYS 20 1HD LYS 20 2.185 2.934 -4.335
412 2HD LYS 20 2HD LYS 20 2.773 3.067 -5.994
413 1HE LYS 20 1HE LYS 20 2.646 0.326 -5.477
414 2HE LYS 20 2HE LYS 20 1.180 0.997 -4.764
415 1HZ LYS 20 1HZ LYS 20 1.201 2.250 -7.105
416 2HZ LYS 20 2HZ LYS 20 1.967 0.809 -7.552
417 3HZ LYS 20 3HZ LYS 20 0.426 0.767 -6.856
418 H GLN 21 H GLN 21 6.475 4.867 -1.747
419 HA GLN 21 HA GLN 21 7.552 6.229 -4.058
420 1HB GLN 21 1HB GLN 21 6.100 7.443 -2.530
421 2HB GLN 21 2HB GLN 21 7.199 7.124 -1.197
422 1HG GLN 21 1HG GLN 21 8.008 9.151 -1.661
423 2HG GLN 21 2HG GLN 21 8.857 8.336 -2.972
424 1HE2 GLN 21 2HE2 GLN 21 5.755 9.883 -2.241
425 2HE2 GLN 21 1HE2 GLN 21 5.552 10.607 -3.796
426 H LYS 22 H LYS 22 8.746 4.994 -0.962
427 HA LYS 22 HA LYS 22 11.440 5.893 -1.564
428 1HB LYS 22 1HB LYS 22 11.993 5.015 0.669
429 2HB LYS 22 2HB LYS 22 10.652 6.153 0.705
430 1HG LYS 22 1HG LYS 22 9.396 4.653 1.733
431 2HG LYS 22 2HG LYS 22 9.575 3.557 0.363
432 1HD LYS 22 1HD LYS 22 10.436 2.260 2.050
433 2HD LYS 22 2HD LYS 22 11.902 3.054 1.473
434 1HE LYS 22 1HE LYS 22 11.946 3.196 3.836
435 2HE LYS 22 2HE LYS 22 11.519 4.801 3.246
436 1HZ LYS 22 1HZ LYS 22 9.118 3.987 3.587
437 2HZ LYS 22 2HZ LYS 22 9.809 2.806 4.580
438 3HZ LYS 22 3HZ LYS 22 10.018 4.445 4.944
439 H VAL 23 H VAL 23 9.675 3.185 -2.417
440 HA VAL 23 HA VAL 23 11.186 0.975 -1.903
441 HB VAL 23 HB VAL 23 10.094 1.546 -4.659
442 1HG1 VAL 23 1HG1 VAL 23 11.582 -0.556 -3.863
443 2HG1 VAL 23 2HG1 VAL 23 9.971 -1.141 -3.455
444 3HG1 VAL 23 3HG1 VAL 23 10.337 -0.653 -5.109
445 1HG2 VAL 23 1HG2 VAL 23 8.719 0.814 -2.112
446 2HG2 VAL 23 2HG2 VAL 23 8.230 1.943 -3.372
447 3HG2 VAL 23 3HG2 VAL 23 8.099 0.208 -3.648
448 H GLN 24 H GLN 24 11.645 2.975 -4.825
449 HA GLN 24 HA GLN 24 14.061 1.774 -5.597
450 1HB GLN 24 1HB GLN 24 13.216 4.606 -6.208
451 2HB GLN 24 2HB GLN 24 14.313 3.598 -7.141
452 1HG GLN 24 1HG GLN 24 12.446 2.075 -7.644
453 2HG GLN 24 2HG GLN 24 11.360 3.152 -6.767
454 1HE2 GLN 24 2HE2 GLN 24 11.773 2.263 -9.682
455 2HE2 GLN 24 1HE2 GLN 24 11.677 3.746 -10.563
456 H ALA 25 H ALA 25 13.411 4.705 -3.710
457 HA ALA 25 HA ALA 25 15.959 5.702 -3.413
458 1HB ALA 25 1HB ALA 25 13.858 6.750 -2.576
459 2HB ALA 25 2HB ALA 25 13.897 5.627 -1.217
460 3HB ALA 25 3HB ALA 25 15.196 6.801 -1.429
461 H LEU 26 H LEU 26 14.525 2.902 -1.897
462 HA LEU 26 HA LEU 26 16.612 2.589 0.057
463 1HB LEU 26 1HB LEU 26 14.425 0.724 -0.865
464 2HB LEU 26 2HB LEU 26 15.536 0.365 0.442
465 HG LEU 26 HG LEU 26 13.477 2.567 0.381
466 1HD1 LEU 26 1HD1 LEU 26 13.695 -0.082 1.737
467 2HD1 LEU 26 2HD1 LEU 26 12.811 1.231 2.513
468 3HD1 LEU 26 3HD1 LEU 26 12.315 0.655 0.921
469 1HD2 LEU 26 1HD2 LEU 26 15.729 2.004 2.275
470 2HD2 LEU 26 2HD2 LEU 26 15.244 3.535 1.549
471 3HD2 LEU 26 3HD2 LEU 26 14.257 2.810 2.818
472 H ARG 27 H ARG 27 15.604 0.582 -2.722
473 HA ARG 27 HA ARG 27 17.856 -1.063 -2.741
474 1HB ARG 27 1HB ARG 27 17.239 -1.453 -5.178
475 2HB ARG 27 2HB ARG 27 15.997 -1.800 -3.985
476 1HG ARG 27 1HG ARG 27 15.490 0.815 -4.615
477 2HG ARG 27 2HG ARG 27 16.029 0.145 -6.154
478 1HD ARG 27 1HD ARG 27 14.358 -1.810 -5.265
479 2HD ARG 27 2HD ARG 27 13.578 -0.366 -4.622
480 HE ARG 27 HE ARG 27 14.063 0.297 -7.195
481 1HH1 ARG 27 1HH1 ARG 27 12.514 -2.447 -5.696
482 2HH1 ARG 27 2HH1 ARG 27 11.436 -2.722 -7.024
483 1HH2 ARG 27 1HH2 ARG 27 12.648 -0.063 -8.943
484 2HH2 ARG 27 2HH2 ARG 27 11.513 -1.369 -8.868
485 H HIS 28 H HIS 28 17.203 1.776 -4.810
486 HA HIS 28 HA HIS 28 19.693 1.784 -6.094
487 1HB HIS 28 1HB HIS 28 17.369 3.463 -6.007
488 2HB HIS 28 2HB HIS 28 18.808 4.470 -5.892
489 HD1 HIS 28 HD1 HIS 28 18.126 1.374 -8.030
490 HD2 HIS 28 HD2 HIS 28 19.259 5.356 -8.375
491 HE1 HIS 28 HE1 HIS 28 18.602 1.767 -10.483
492 H LYS 29 H LYS 29 18.650 4.178 -3.664
493 HA LYS 29 HA LYS 29 21.262 5.052 -3.087
494 1HB LYS 29 1HB LYS 29 18.813 6.011 -2.526
495 2HB LYS 29 2HB LYS 29 19.203 5.297 -0.967
496 1HG LYS 29 1HG LYS 29 20.949 6.748 -0.586
497 2HG LYS 29 2HG LYS 29 21.178 7.088 -2.302
498 1HD LYS 29 1HD LYS 29 18.562 7.860 -1.189
499 2HD LYS 29 2HD LYS 29 19.947 8.765 -0.574
500 1HE LYS 29 1HE LYS 29 20.615 9.297 -2.867
501 2HE LYS 29 2HE LYS 29 19.232 8.393 -3.482
502 1HZ LYS 29 1HZ LYS 29 19.025 10.760 -1.702
503 2HZ LYS 29 2HZ LYS 29 18.865 10.816 -3.385
504 3HZ LYS 29 3HZ LYS 29 17.748 9.946 -2.458
505 H GLY 30 H GLY 30 22.397 4.858 -1.015
506 1HA GLY 30 1HA GLY 30 22.130 3.324 1.107
507 2HA GLY 30 2HA GLY 30 22.346 2.076 -0.110
508 1HN NH2 31 1HN NH2 31 23.908 5.232 0.248
509 2HN NH2 31 2HN NH2 31 25.519 4.618 0.365
Start of MODEL 24
1 1H ACE 0 1H ACE 0 -23.514 0.143 -4.352
2 2H ACE 0 2H ACE 0 -24.212 1.193 -3.117
3 3H ACE 0 3H ACE 0 -25.212 -0.031 -3.903
4 H GLU 1 H GLU 1 -23.134 -2.070 -3.848
5 HA GLU 1 HA GLU 1 -23.497 -2.933 -1.092
6 1HB GLU 1 1HB GLU 1 -22.691 -5.115 -1.900
7 2HB GLU 1 2HB GLU 1 -24.046 -4.520 -2.847
8 1HG GLU 1 1HG GLU 1 -21.881 -3.555 -4.226
9 2HG GLU 1 2HG GLU 1 -21.315 -5.123 -3.654
10 H VAL 2 H VAL 2 -21.987 -2.716 0.405
11 HA VAL 2 HA VAL 2 -19.603 -1.432 0.234
12 HB VAL 2 HB VAL 2 -20.397 -3.697 2.034
13 1HG1 VAL 2 1HG1 VAL 2 -17.877 -2.042 2.105
14 2HG1 VAL 2 2HG1 VAL 2 -18.488 -2.931 3.500
15 3HG1 VAL 2 3HG1 VAL 2 -18.021 -3.799 2.037
16 1HG2 VAL 2 1HG2 VAL 2 -21.355 -1.197 1.973
17 2HG2 VAL 2 2HG2 VAL 2 -21.138 -2.073 3.489
18 3HG2 VAL 2 3HG2 VAL 2 -19.928 -0.904 2.965
19 H ALA 3 H ALA 3 -20.157 -4.871 -0.284
20 HA ALA 3 HA ALA 3 -17.618 -5.854 -0.416
21 1HB ALA 3 1HB ALA 3 -19.894 -6.992 -0.764
22 2HB ALA 3 2HB ALA 3 -19.629 -6.645 -2.472
23 3HB ALA 3 3HB ALA 3 -18.478 -7.646 -1.588
24 H GLN 4 H GLN 4 -19.159 -3.687 -2.656
25 HA GLN 4 HA GLN 4 -17.510 -4.082 -4.900
26 1HB GLN 4 1HB GLN 4 -19.158 -1.795 -3.884
27 2HB GLN 4 2HB GLN 4 -18.073 -1.535 -5.243
28 1HG GLN 4 1HG GLN 4 -20.124 -3.727 -5.202
29 2HG GLN 4 2HG GLN 4 -20.470 -2.103 -5.794
30 1HE2 GLN 4 2HE2 GLN 4 -19.760 -5.085 -6.787
31 2HE2 GLN 4 1HE2 GLN 4 -18.925 -4.743 -8.260
32 H LEU 5 H LEU 5 -16.973 -2.600 -1.847
33 HA LEU 5 HA LEU 5 -14.681 -1.038 -2.595
34 1HB LEU 5 1HB LEU 5 -16.037 -1.771 -0.041
35 2HB LEU 5 2HB LEU 5 -14.402 -1.160 0.014
36 HG LEU 5 HG LEU 5 -16.659 0.358 -1.288
37 1HD1 LEU 5 1HD1 LEU 5 -16.121 -0.127 1.492
38 2HD1 LEU 5 2HD1 LEU 5 -15.981 1.577 1.099
39 3HD1 LEU 5 3HD1 LEU 5 -17.467 0.712 0.734
40 1HD2 LEU 5 1HD2 LEU 5 -14.169 0.783 -1.809
41 2HD2 LEU 5 2HD2 LEU 5 -15.192 2.152 -1.373
42 3HD2 LEU 5 3HD2 LEU 5 -14.105 1.446 -0.178
43 H GLU 6 H GLU 6 -15.302 -4.212 -1.203
44 HA GLU 6 HA GLU 6 -12.848 -4.966 -0.249
45 1HB GLU 6 1HB GLU 6 -15.128 -6.367 -1.464
46 2HB GLU 6 2HB GLU 6 -13.612 -7.237 -1.578
47 1HG GLU 6 1HG GLU 6 -14.024 -6.160 1.075
48 2HG GLU 6 2HG GLU 6 -15.355 -7.203 0.574
49 H LYS 7 H LYS 7 -13.886 -4.579 -3.530
50 HA LYS 7 HA LYS 7 -11.576 -5.801 -4.681
51 1HB LYS 7 1HB LYS 7 -13.107 -3.937 -6.370
52 2HB LYS 7 2HB LYS 7 -12.655 -5.608 -6.668
53 1HG LYS 7 1HG LYS 7 -14.997 -4.615 -5.053
54 2HG LYS 7 2HG LYS 7 -15.041 -5.457 -6.600
55 1HD LYS 7 1HD LYS 7 -13.666 -6.851 -4.383
56 2HD LYS 7 2HD LYS 7 -15.421 -6.683 -4.237
57 1HE LYS 7 1HE LYS 7 -14.485 -7.534 -6.887
58 2HE LYS 7 2HE LYS 7 -14.139 -8.676 -5.590
59 1HZ LYS 7 1HZ LYS 7 -16.834 -7.516 -5.866
60 2HZ LYS 7 2HZ LYS 7 -16.372 -8.831 -6.827
61 3HZ LYS 7 3HZ LYS 7 -16.370 -8.972 -5.141
62 H GLU 8 H GLU 8 -12.589 -2.593 -3.784
63 HA GLU 8 HA GLU 8 -10.521 -1.162 -5.096
64 1HB GLU 8 1HB GLU 8 -12.589 -0.091 -4.257
65 2HB GLU 8 2HB GLU 8 -12.078 -0.424 -2.608
66 1HG GLU 8 1HG GLU 8 -10.724 1.341 -2.551
67 2HG GLU 8 2HG GLU 8 -10.073 1.009 -4.155
68 H VAL 9 H VAL 9 -10.675 -3.097 -2.250
69 HA VAL 9 HA VAL 9 -8.304 -1.985 -1.024
70 HB VAL 9 HB VAL 9 -9.819 -4.525 -0.382
71 1HG1 VAL 9 1HG1 VAL 9 -7.255 -3.837 0.400
72 2HG1 VAL 9 2HG1 VAL 9 -8.259 -3.344 1.762
73 3HG1 VAL 9 3HG1 VAL 9 -8.311 -5.009 1.187
74 1HG2 VAL 9 1HG2 VAL 9 -9.952 -1.752 0.785
75 2HG2 VAL 9 2HG2 VAL 9 -11.246 -2.658 0.001
76 3HG2 VAL 9 3HG2 VAL 9 -10.632 -3.177 1.571
77 H ALA 10 H ALA 10 -9.210 -4.998 -2.679
78 HA ALA 10 HA ALA 10 -6.714 -6.243 -2.652
79 1HB ALA 10 1HB ALA 10 -9.150 -6.938 -3.577
80 2HB ALA 10 2HB ALA 10 -8.323 -6.602 -5.097
81 3HB ALA 10 3HB ALA 10 -7.667 -7.802 -3.984
82 H GLN 11 H GLN 11 -7.903 -3.563 -4.463
83 HA GLN 11 HA GLN 11 -6.243 -3.573 -6.692
84 1HB GLN 11 1HB GLN 11 -7.944 -1.998 -6.766
85 2HB GLN 11 2HB GLN 11 -7.651 -1.447 -5.127
86 1HG GLN 11 1HG GLN 11 -7.016 0.300 -6.594
87 2HG GLN 11 2HG GLN 11 -5.530 -0.399 -5.955
88 1HE2 GLN 11 2HE2 GLN 11 -4.159 -1.504 -7.319
89 2HE2 GLN 11 1HE2 GLN 11 -4.327 -1.478 -9.038
90 H LEU 12 H LEU 12 -5.703 -1.708 -3.657
91 HA LEU 12 HA LEU 12 -2.976 -1.206 -4.341
92 1HB LEU 12 1HB LEU 12 -4.252 -1.001 -1.607
93 2HB LEU 12 2HB LEU 12 -2.709 -0.335 -2.092
94 HG LEU 12 HG LEU 12 -5.184 0.525 -3.536
95 1HD1 LEU 12 1HD1 LEU 12 -5.576 0.751 -1.084
96 2HD1 LEU 12 2HD1 LEU 12 -4.156 1.786 -1.010
97 3HD1 LEU 12 3HD1 LEU 12 -5.554 2.282 -1.959
98 1HD2 LEU 12 1HD2 LEU 12 -2.551 1.850 -2.890
99 2HD2 LEU 12 2HD2 LEU 12 -3.007 1.145 -4.440
100 3HD2 LEU 12 3HD2 LEU 12 -3.858 2.566 -3.833
101 H GLU 13 H GLU 13 -4.533 -3.325 -1.935
102 HA GLU 13 HA GLU 13 -2.513 -4.535 -0.687
103 1HB GLU 13 1HB GLU 13 -4.992 -5.728 -1.871
104 2HB GLU 13 2HB GLU 13 -3.836 -6.753 -1.032
105 1HG GLU 13 1HG GLU 13 -4.127 -5.573 0.999
106 2HG GLU 13 2HG GLU 13 -5.034 -4.289 0.201
107 H ALA 14 H ALA 14 -3.277 -5.019 -4.087
108 HA ALA 14 HA ALA 14 -1.499 -7.168 -4.558
109 1HB ALA 14 1HB ALA 14 -3.331 -6.449 -6.099
110 2HB ALA 14 2HB ALA 14 -2.345 -5.053 -6.537
111 3HB ALA 14 3HB ALA 14 -1.772 -6.683 -6.892
112 H GLU 15 H GLU 15 -1.146 -3.663 -5.201
113 HA GLU 15 HA GLU 15 1.651 -3.895 -5.687
114 1HB GLU 15 1HB GLU 15 1.349 -1.327 -5.608
115 2HB GLU 15 2HB GLU 15 0.676 -2.221 -6.945
116 1HG GLU 15 1HG GLU 15 -1.508 -2.000 -6.105
117 2HG GLU 15 2HG GLU 15 -0.929 -1.460 -4.531
118 H ASN 16 H ASN 16 -0.449 -2.627 -3.123
119 HA ASN 16 HA ASN 16 1.391 -1.494 -1.427
120 1HB ASN 16 1HB ASN 16 -1.320 -2.308 -1.337
121 2HB ASN 16 2HB ASN 16 -0.557 -2.959 0.103
122 1HD2 ASN 16 2HD2 ASN 16 -0.795 -1.697 1.751
123 2HD2 ASN 16 1HD2 ASN 16 -0.697 0.018 1.751
124 H TYR 17 H TYR 17 0.822 -4.859 -2.099
125 HA TYR 17 HA TYR 17 2.321 -5.800 0.185
126 1HB TYR 17 1HB TYR 17 0.559 -7.235 -0.511
127 2HB TYR 17 2HB TYR 17 1.069 -7.169 -2.195
128 HD1 TYR 17 HD1 TYR 17 3.141 -8.372 -2.894
129 HD2 TYR 17 HD2 TYR 17 1.471 -8.837 0.990
130 HE1 TYR 17 HE1 TYR 17 4.449 -10.431 -2.586
131 HE2 TYR 17 HE2 TYR 17 2.774 -10.897 1.310
132 HH TYR 17 HH TYR 17 5.340 -11.776 -0.661
133 H GLN 18 H GLN 18 2.958 -4.867 -3.073
134 HA GLN 18 HA GLN 18 5.410 -6.328 -3.352
135 1HB GLN 18 1HB GLN 18 3.744 -5.222 -5.144
136 2HB GLN 18 2HB GLN 18 4.918 -3.920 -5.015
137 1HG GLN 18 1HG GLN 18 5.968 -5.049 -6.636
138 2HG GLN 18 2HG GLN 18 6.572 -6.024 -5.297
139 1HE2 GLN 18 2HE2 GLN 18 4.773 -7.728 -4.631
140 2HE2 GLN 18 1HE2 GLN 18 4.210 -8.688 -5.952
141 H LEU 19 H LEU 19 4.661 -3.822 -1.382
142 HA LEU 19 HA LEU 19 7.400 -2.765 -1.482
143 1HB LEU 19 1HB LEU 19 4.821 -1.306 -0.936
144 2HB LEU 19 2HB LEU 19 6.385 -0.648 -0.510
145 HG LEU 19 HG LEU 19 5.359 -1.248 -3.281
146 1HD1 LEU 19 1HD1 LEU 19 5.718 1.181 -1.637
147 2HD1 LEU 19 2HD1 LEU 19 6.163 1.298 -3.340
148 3HD1 LEU 19 3HD1 LEU 19 4.528 0.817 -2.888
149 1HD2 LEU 19 1HD2 LEU 19 8.118 -0.525 -2.333
150 2HD2 LEU 19 2HD2 LEU 19 7.630 -1.872 -3.361
151 3HD2 LEU 19 3HD2 LEU 19 7.570 -0.223 -3.982
152 H GLU 20 H GLU 20 4.543 -2.914 0.657
153 HA GLU 20 HA GLU 20 5.872 -2.674 3.076
154 1HB GLU 20 1HB GLU 20 3.296 -2.907 2.394
155 2HB GLU 20 2HB GLU 20 3.569 -4.547 2.963
156 1HG GLU 20 1HG GLU 20 4.706 -2.938 4.916
157 2HG GLU 20 2HG GLU 20 3.222 -2.105 4.459
158 H GLN 21 H GLN 21 5.607 -5.425 0.959
159 HA GLN 21 HA GLN 21 6.846 -7.156 2.975
160 1HB GLN 21 1HB GLN 21 4.809 -7.656 1.199
161 2HB GLN 21 2HB GLN 21 6.198 -8.355 0.379
162 1HG GLN 21 1HG GLN 21 5.976 -9.024 3.226
163 2HG GLN 21 2HG GLN 21 4.677 -9.642 2.205
164 1HE2 GLN 21 2HE2 GLN 21 8.214 -9.352 2.224
165 2HE2 GLN 21 1HE2 GLN 21 8.517 -10.918 1.561
166 H GLU 22 H GLU 22 7.383 -5.672 -0.148
167 HA GLU 22 HA GLU 22 9.818 -7.100 -0.680
168 1HB GLU 22 1HB GLU 22 8.153 -5.890 -2.324
169 2HB GLU 22 2HB GLU 22 9.167 -4.492 -1.988
170 1HG GLU 22 1HG GLU 22 10.439 -5.214 -3.660
171 2HG GLU 22 2HG GLU 22 11.008 -6.445 -2.534
172 H VAL 23 H VAL 23 8.914 -4.180 0.961
173 HA VAL 23 HA VAL 23 11.386 -2.838 0.949
174 HB VAL 23 HB VAL 23 9.097 -2.791 2.917
175 1HG1 VAL 23 1HG1 VAL 23 11.741 -1.439 3.034
176 2HG1 VAL 23 2HG1 VAL 23 10.315 -0.525 3.529
177 3HG1 VAL 23 3HG1 VAL 23 10.716 -2.040 4.337
178 1HG2 VAL 23 1HG2 VAL 23 9.391 -1.695 0.379
179 2HG2 VAL 23 2HG2 VAL 23 8.175 -1.267 1.581
180 3HG2 VAL 23 3HG2 VAL 23 9.675 -0.347 1.480
181 H ALA 24 H ALA 24 9.973 -5.201 3.171
182 HA ALA 24 HA ALA 24 11.916 -5.219 5.149
183 1HB ALA 24 1HB ALA 24 9.613 -6.551 4.769
184 2HB ALA 24 2HB ALA 24 10.769 -7.840 4.432
185 3HB ALA 24 3HB ALA 24 10.810 -7.002 5.983
186 H GLN 25 H GLN 25 12.051 -6.467 1.920
187 HA GLN 25 HA GLN 25 14.524 -7.921 2.534
188 1HB GLN 25 1HB GLN 25 14.246 -9.030 0.390
189 2HB GLN 25 2HB GLN 25 12.776 -9.182 1.342
190 1HG GLN 25 1HG GLN 25 11.630 -7.618 0.019
191 2HG GLN 25 2HG GLN 25 13.117 -7.043 -0.731
192 1HE2 GLN 25 2HE2 GLN 25 12.706 -7.461 -2.822
193 2HE2 GLN 25 1HE2 GLN 25 12.395 -9.034 -3.467
194 H LEU 26 H LEU 26 13.222 -5.267 0.670
195 HA LEU 26 HA LEU 26 15.305 -4.772 -1.092
196 1HB LEU 26 1HB LEU 26 13.273 -3.038 0.240
197 2HB LEU 26 2HB LEU 26 14.549 -2.291 -0.700
198 HG LEU 26 HG LEU 26 12.951 -4.473 -1.958
199 1HD1 LEU 26 1HD1 LEU 26 12.005 -1.646 -1.533
200 2HD1 LEU 26 2HD1 LEU 26 11.335 -2.741 -2.742
201 3HD1 LEU 26 3HD1 LEU 26 11.207 -3.135 -1.028
202 1HD2 LEU 26 1HD2 LEU 26 14.496 -2.065 -2.833
203 2HD2 LEU 26 2HD2 LEU 26 14.657 -3.743 -3.346
204 3HD2 LEU 26 3HD2 LEU 26 13.283 -2.783 -3.893
205 H GLU 27 H GLU 27 14.824 -3.340 2.125
206 HA GLU 27 HA GLU 27 17.117 -1.816 2.250
207 1HB GLU 27 1HB GLU 27 16.897 -2.144 4.777
208 2HB GLU 27 2HB GLU 27 15.532 -1.439 3.923
209 1HG GLU 27 1HG GLU 27 14.287 -2.948 4.969
210 2HG GLU 27 2HG GLU 27 14.972 -4.128 3.854
211 H HIS 28 H HIS 28 16.759 -5.249 3.145
212 HA HIS 28 HA HIS 28 19.562 -5.335 3.901
213 1HB HIS 28 1HB HIS 28 19.145 -7.358 4.940
214 2HB HIS 28 2HB HIS 28 17.598 -6.540 5.103
215 HD1 HIS 28 HD1 HIS 28 15.726 -8.126 4.703
216 HD2 HIS 28 HD2 HIS 28 19.037 -9.011 2.355
217 HE1 HIS 28 HE1 HIS 28 15.113 -10.175 3.353
218 H GLU 29 H GLU 29 17.685 -6.013 1.106
219 HA GLU 29 HA GLU 29 19.679 -7.831 0.015
220 1HB GLU 29 1HB GLU 29 18.193 -8.192 -1.800
221 2HB GLU 29 2HB GLU 29 17.204 -8.148 -0.348
222 1HG GLU 29 1HG GLU 29 15.926 -6.644 -1.336
223 2HG GLU 29 2HG GLU 29 17.278 -5.515 -1.275
224 H GLY 30 H GLY 30 20.950 -5.549 0.525
225 1HA GLY 30 1HA GLY 30 20.941 -3.866 -1.854
226 2HA GLY 30 2HA GLY 30 21.881 -3.600 -0.394
227 1HN NH2 31 1HN NH2 31 21.616 -5.985 -3.015
228 2HN NH2 31 2HN NH2 31 23.318 -6.191 -3.229
229 1H ACE 0 1H ACE 0 -21.562 -0.337 -1.127
230 2H ACE 0 2H ACE 0 -20.915 -0.575 -2.752
231 3H ACE 0 3H ACE 0 -21.636 0.971 -2.306
232 H GLU 1 H GLU 1 -20.254 2.522 -1.777
233 HA GLU 1 HA GLU 1 -17.483 1.845 -1.179
234 1HB GLU 1 1HB GLU 1 -17.899 4.657 -1.084
235 2HB GLU 1 2HB GLU 1 -16.961 3.735 -2.267
236 1HG GLU 1 1HG GLU 1 -19.913 4.326 -2.447
237 2HG GLU 1 2HG GLU 1 -18.637 5.159 -3.333
238 H VAL 2 H VAL 2 -20.268 2.613 0.488
239 HA VAL 2 HA VAL 2 -19.698 4.219 2.466
240 HB VAL 2 HB VAL 2 -21.615 3.121 2.947
241 1HG1 VAL 2 1HG1 VAL 2 -20.100 0.733 2.019
242 2HG1 VAL 2 2HG1 VAL 2 -21.609 0.533 2.911
243 3HG1 VAL 2 3HG1 VAL 2 -21.593 1.430 1.393
244 1HG2 VAL 2 1HG2 VAL 2 -20.314 3.133 5.032
245 2HG2 VAL 2 2HG2 VAL 2 -21.402 1.747 4.950
246 3HG2 VAL 2 3HG2 VAL 2 -19.680 1.536 4.639
247 H GLN 3 H GLN 3 -18.026 4.750 3.426
248 HA GLN 3 HA GLN 3 -15.557 3.921 3.583
249 1HB GLN 3 1HB GLN 3 -17.257 5.372 5.465
250 2HB GLN 3 2HB GLN 3 -15.865 4.618 6.230
251 1HG GLN 3 1HG GLN 3 -14.361 5.783 4.759
252 2HG GLN 3 2HG GLN 3 -15.713 6.429 3.831
253 1HE2 GLN 3 2HE2 GLN 3 -15.240 6.157 7.326
254 2HE2 GLN 3 1HE2 GLN 3 -15.373 7.847 7.654
255 H ALA 4 H ALA 4 -17.791 1.809 4.105
256 HA ALA 4 HA ALA 4 -17.226 0.320 6.381
257 1HB ALA 4 1HB ALA 4 -18.114 -0.453 3.597
258 2HB ALA 4 2HB ALA 4 -18.015 -1.623 4.911
259 3HB ALA 4 3HB ALA 4 -19.125 -0.256 5.028
260 H LEU 5 H LEU 5 -15.950 0.254 3.176
261 HA LEU 5 HA LEU 5 -13.449 -0.953 4.142
262 1HB LEU 5 1HB LEU 5 -15.177 -1.722 1.857
263 2HB LEU 5 2HB LEU 5 -13.450 -1.759 1.600
264 HG LEU 5 HG LEU 5 -14.557 -3.146 3.998
265 1HD1 LEU 5 1HD1 LEU 5 -14.755 -4.166 1.173
266 2HD1 LEU 5 2HD1 LEU 5 -14.870 -5.191 2.603
267 3HD1 LEU 5 3HD1 LEU 5 -16.067 -3.926 2.325
268 1HD2 LEU 5 1HD2 LEU 5 -12.055 -2.868 2.948
269 2HD2 LEU 5 2HD2 LEU 5 -12.561 -4.163 4.034
270 3HD2 LEU 5 3HD2 LEU 5 -12.554 -4.426 2.291
271 H LYS 6 H LYS 6 -15.026 1.649 2.835
272 HA LYS 6 HA LYS 6 -12.976 2.490 0.994
273 1HB LYS 6 1HB LYS 6 -15.042 3.119 0.300
274 2HB LYS 6 2HB LYS 6 -15.645 3.280 1.924
275 1HG LYS 6 1HG LYS 6 -14.896 5.476 2.096
276 2HG LYS 6 2HG LYS 6 -13.792 5.294 0.721
277 1HD LYS 6 1HD LYS 6 -15.507 6.312 -0.386
278 2HD LYS 6 2HD LYS 6 -16.070 4.633 -0.498
279 1HE LYS 6 1HE LYS 6 -17.876 6.125 0.192
280 2HE LYS 6 2HE LYS 6 -17.498 4.978 1.478
281 1HZ LYS 6 1HZ LYS 6 -15.907 7.153 1.987
282 2HZ LYS 6 2HZ LYS 6 -17.371 7.835 1.488
283 3HZ LYS 6 3HZ LYS 6 -17.344 6.753 2.787
284 H LYS 7 H LYS 7 -13.591 2.652 4.365
285 HA LYS 7 HA LYS 7 -11.934 5.039 4.723
286 1HB LYS 7 1HB LYS 7 -12.564 5.008 6.986
287 2HB LYS 7 2HB LYS 7 -14.006 4.487 6.135
288 1HG LYS 7 1HG LYS 7 -13.179 2.101 6.610
289 2HG LYS 7 2HG LYS 7 -12.120 2.867 7.795
290 1HD LYS 7 1HD LYS 7 -15.073 3.403 7.749
291 2HD LYS 7 2HD LYS 7 -14.401 2.010 8.599
292 1HE LYS 7 1HE LYS 7 -12.966 3.525 9.902
293 2HE LYS 7 2HE LYS 7 -13.694 4.902 9.077
294 1HZ LYS 7 1HZ LYS 7 -15.885 3.838 9.963
295 2HZ LYS 7 2HZ LYS 7 -14.856 3.121 11.100
296 3HZ LYS 7 3HZ LYS 7 -14.939 4.806 10.977
297 H ARG 8 H ARG 8 -11.630 1.649 4.542
298 HA ARG 8 HA ARG 8 -9.200 1.519 6.115
299 1HB ARG 8 1HB ARG 8 -9.354 -0.813 5.930
300 2HB ARG 8 2HB ARG 8 -11.016 -0.267 6.074
301 1HG ARG 8 1HG ARG 8 -11.428 -1.549 4.296
302 2HG ARG 8 2HG ARG 8 -10.622 -0.292 3.359
303 1HD ARG 8 1HD ARG 8 -9.243 -1.917 2.692
304 2HD ARG 8 2HD ARG 8 -8.504 -1.744 4.281
305 HE ARG 8 HE ARG 8 -10.306 -3.868 3.410
306 1HH1 ARG 8 1HH1 ARG 8 -8.398 -2.450 5.975
307 2HH1 ARG 8 2HH1 ARG 8 -8.444 -3.874 6.957
308 1HH2 ARG 8 1HH2 ARG 8 -10.360 -5.732 4.706
309 2HH2 ARG 8 2HH2 ARG 8 -9.553 -5.734 6.239
310 H VAL 9 H VAL 9 -10.140 1.488 2.709
311 HA VAL 9 HA VAL 9 -7.912 0.483 1.468
312 HB VAL 9 HB VAL 9 -9.486 2.923 0.613
313 1HG1 VAL 9 1HG1 VAL 9 -7.515 1.213 -0.895
314 2HG1 VAL 9 2HG1 VAL 9 -8.665 2.297 -1.679
315 3HG1 VAL 9 3HG1 VAL 9 -7.436 2.950 -0.597
316 1HG2 VAL 9 1HG2 VAL 9 -10.374 0.350 0.901
317 2HG2 VAL 9 2HG2 VAL 9 -11.069 1.553 -0.186
318 3HG2 VAL 9 3HG2 VAL 9 -9.890 0.391 -0.794
319 H GLN 10 H GLN 10 -8.314 3.813 2.670
320 HA GLN 10 HA GLN 10 -5.931 4.902 1.806
321 1HB GLN 10 1HB GLN 10 -6.061 6.353 3.859
322 2HB GLN 10 2HB GLN 10 -7.526 6.313 2.888
323 1HG GLN 10 1HG GLN 10 -8.731 5.521 4.573
324 2HG GLN 10 2HG GLN 10 -7.542 4.272 4.937
325 1HE2 GLN 10 2HE2 GLN 10 -8.368 7.649 5.450
326 2HE2 GLN 10 1HE2 GLN 10 -7.517 7.824 6.943
327 H ALA 11 H ALA 11 -6.535 2.654 4.403
328 HA ALA 11 HA ALA 11 -4.113 2.858 5.788
329 1HB ALA 11 1HB ALA 11 -6.315 1.524 6.294
330 2HB ALA 11 2HB ALA 11 -5.446 0.211 5.500
331 3HB ALA 11 3HB ALA 11 -4.763 0.982 6.932
332 H LEU 12 H LEU 12 -4.797 1.558 2.666
333 HA LEU 12 HA LEU 12 -2.329 -0.005 2.662
334 1HB LEU 12 1HB LEU 12 -3.958 0.209 0.191
335 2HB LEU 12 2HB LEU 12 -3.116 -1.155 0.834
336 HG LEU 12 HG LEU 12 -5.524 -0.230 2.316
337 1HD1 LEU 12 1HD1 LEU 12 -5.536 -1.569 -0.359
338 2HD1 LEU 12 2HD1 LEU 12 -6.807 -1.882 0.820
339 3HD1 LEU 12 3HD1 LEU 12 -6.538 -0.243 0.229
340 1HD2 LEU 12 1HD2 LEU 12 -3.960 -2.087 3.039
341 2HD2 LEU 12 2HD2 LEU 12 -5.674 -2.491 2.957
342 3HD2 LEU 12 3HD2 LEU 12 -4.584 -3.010 1.673
343 H LYS 13 H LYS 13 -3.876 2.540 0.701
344 HA LYS 13 HA LYS 13 -1.450 3.101 -0.713
345 1HB LYS 13 1HB LYS 13 -2.756 5.006 -1.672
346 2HB LYS 13 2HB LYS 13 -3.479 3.422 -1.900
347 1HG LYS 13 1HG LYS 13 -5.326 4.567 -1.257
348 2HG LYS 13 2HG LYS 13 -4.740 4.098 0.340
349 1HD LYS 13 1HD LYS 13 -4.372 6.218 0.923
350 2HD LYS 13 2HD LYS 13 -3.508 6.549 -0.579
351 1HE LYS 13 1HE LYS 13 -6.407 6.271 -0.895
352 2HE LYS 13 2HE LYS 13 -5.920 7.624 0.124
353 1HZ LYS 13 1HZ LYS 13 -4.490 7.279 -2.394
354 2HZ LYS 13 2HZ LYS 13 -6.090 7.816 -2.494
355 3HZ LYS 13 3HZ LYS 13 -4.955 8.698 -1.601
356 H ALA 14 H ALA 14 -3.263 4.808 1.839
357 HA ALA 14 HA ALA 14 -1.758 7.131 1.930
358 1HB ALA 14 1HB ALA 14 -3.869 6.581 3.225
359 2HB ALA 14 2HB ALA 14 -2.817 5.802 4.407
360 3HB ALA 14 3HB ALA 14 -2.644 7.525 4.072
361 H ARG 15 H ARG 15 -1.060 3.989 3.384
362 HA ARG 15 HA ARG 15 1.358 5.021 4.631
363 1HB ARG 15 1HB ARG 15 -0.016 3.421 5.874
364 2HB ARG 15 2HB ARG 15 0.200 2.230 4.599
365 1HG ARG 15 1HG ARG 15 1.668 1.684 6.394
366 2HG ARG 15 2HG ARG 15 2.643 2.278 5.048
367 1HD ARG 15 1HD ARG 15 3.550 3.343 6.917
368 2HD ARG 15 2HD ARG 15 2.496 4.561 6.202
369 HE ARG 15 HE ARG 15 1.293 4.546 8.133
370 1HH1 ARG 15 1HH1 ARG 15 2.989 1.506 7.892
371 2HH1 ARG 15 2HH1 ARG 15 2.464 0.948 9.445
372 1HH2 ARG 15 1HH2 ARG 15 0.602 3.813 10.176
373 2HH2 ARG 15 2HH2 ARG 15 1.108 2.256 10.741
374 H ASN 16 H ASN 16 0.412 2.989 1.917
375 HA ASN 16 HA ASN 16 3.057 2.066 1.364
376 1HB ASN 16 1HB ASN 16 1.114 0.790 0.660
377 2HB ASN 16 2HB ASN 16 0.589 2.115 -0.374
378 1HD2 ASN 16 2HD2 ASN 16 0.722 1.209 -2.328
379 2HD2 ASN 16 1HD2 ASN 16 2.166 0.564 -3.022
380 H TYR 17 H TYR 17 1.075 4.750 0.249
381 HA TYR 17 HA TYR 17 2.422 5.578 -1.986
382 1HB TYR 17 1HB TYR 17 0.528 6.842 -1.481
383 2HB TYR 17 2HB TYR 17 1.019 7.094 0.192
384 HD1 TYR 17 HD1 TYR 17 1.620 8.149 -3.298
385 HD2 TYR 17 HD2 TYR 17 2.373 8.956 0.810
386 HE1 TYR 17 HE1 TYR 17 2.558 10.339 -3.905
387 HE2 TYR 17 HE2 TYR 17 3.310 11.149 0.216
388 HH TYR 17 HH TYR 17 4.433 12.145 -1.944
389 H ALA 18 H ALA 18 3.215 6.321 1.389
390 HA ALA 18 HA ALA 18 5.453 7.943 0.879
391 1HB ALA 18 1HB ALA 18 4.166 7.711 3.046
392 2HB ALA 18 2HB ALA 18 5.096 6.240 3.330
393 3HB ALA 18 3HB ALA 18 5.922 7.791 3.186
394 H LEU 19 H LEU 19 5.172 4.452 1.446
395 HA LEU 19 HA LEU 19 7.913 3.894 1.554
396 1HB LEU 19 1HB LEU 19 6.139 1.895 0.279
397 2HB LEU 19 2HB LEU 19 7.379 1.679 1.495
398 HG LEU 19 HG LEU 19 4.593 2.729 1.951
399 1HD1 LEU 19 1HD1 LEU 19 5.960 0.137 2.338
400 2HD1 LEU 19 2HD1 LEU 19 4.821 0.653 3.582
401 3HD1 LEU 19 3HD1 LEU 19 4.285 0.486 1.910
402 1HD2 LEU 19 1HD2 LEU 19 6.294 3.885 3.342
403 2HD2 LEU 19 2HD2 LEU 19 5.147 2.923 4.275
404 3HD2 LEU 19 3HD2 LEU 19 6.777 2.314 3.982
405 H LYS 20 H LYS 20 5.653 3.862 -1.165
406 HA LYS 20 HA LYS 20 7.209 2.978 -3.223
407 1HB LYS 20 1HB LYS 20 4.762 4.142 -3.045
408 2HB LYS 20 2HB LYS 20 5.664 5.407 -3.868
409 1HG LYS 20 1HG LYS 20 6.403 3.621 -5.505
410 2HG LYS 20 2HG LYS 20 5.176 2.586 -4.771
411 1HD LYS 20 1HD LYS 20 3.602 4.621 -5.218
412 2HD LYS 20 2HD LYS 20 4.840 5.076 -6.392
413 1HE LYS 20 1HE LYS 20 4.586 2.986 -7.550
414 2HE LYS 20 2HE LYS 20 3.492 2.381 -6.307
415 1HZ LYS 20 1HZ LYS 20 2.029 4.337 -6.934
416 2HZ LYS 20 2HZ LYS 20 2.995 4.495 -8.315
417 3HZ LYS 20 3HZ LYS 20 2.121 3.069 -8.049
418 H GLN 21 H GLN 21 7.465 6.001 -1.534
419 HA GLN 21 HA GLN 21 9.242 7.200 -3.468
420 1HB GLN 21 1HB GLN 21 7.708 8.626 -2.258
421 2HB GLN 21 2HB GLN 21 8.342 8.064 -0.717
422 1HG GLN 21 1HG GLN 21 10.585 9.027 -1.964
423 2HG GLN 21 2HG GLN 21 9.329 10.133 -2.519
424 1HE2 GLN 21 2HE2 GLN 21 10.244 8.498 0.500
425 2HE2 GLN 21 1HE2 GLN 21 10.079 9.893 1.504
426 H LYS 22 H LYS 22 9.492 5.547 -0.376
427 HA LYS 22 HA LYS 22 12.341 6.098 -0.176
428 1HB LYS 22 1HB LYS 22 12.232 5.024 1.973
429 2HB LYS 22 2HB LYS 22 10.855 6.110 1.828
430 1HG LYS 22 1HG LYS 22 9.450 4.193 1.207
431 2HG LYS 22 2HG LYS 22 10.820 3.124 1.462
432 1HD LYS 22 1HD LYS 22 9.253 4.685 3.471
433 2HD LYS 22 2HD LYS 22 9.617 2.964 3.447
434 1HE LYS 22 1HE LYS 22 12.048 3.613 3.757
435 2HE LYS 22 2HE LYS 22 11.469 5.241 4.106
436 1HZ LYS 22 1HZ LYS 22 9.935 3.816 5.742
437 2HZ LYS 22 2HZ LYS 22 11.311 2.832 5.719
438 3HZ LYS 22 3HZ LYS 22 11.435 4.449 6.198
439 H VAL 23 H VAL 23 10.422 3.767 -1.693
440 HA VAL 23 HA VAL 23 11.481 1.327 -1.279
441 HB VAL 23 HB VAL 23 11.010 2.482 -4.029
442 1HG1 VAL 23 1HG1 VAL 23 12.279 0.361 -4.025
443 2HG1 VAL 23 2HG1 VAL 23 10.975 -0.391 -3.105
444 3HG1 VAL 23 3HG1 VAL 23 10.677 0.191 -4.742
445 1HG2 VAL 23 1HG2 VAL 23 9.169 1.157 -2.050
446 2HG2 VAL 23 2HG2 VAL 23 9.044 2.778 -2.728
447 3HG2 VAL 23 3HG2 VAL 23 8.776 1.372 -3.756
448 H GLN 24 H GLN 24 12.937 3.688 -3.534
449 HA GLN 24 HA GLN 24 15.264 2.123 -3.996
450 1HB GLN 24 1HB GLN 24 15.164 5.103 -4.356
451 2HB GLN 24 2HB GLN 24 16.055 3.912 -5.293
452 1HG GLN 24 1HG GLN 24 13.824 3.041 -6.080
453 2HG GLN 24 2HG GLN 24 13.106 4.472 -5.345
454 1HE2 GLN 24 2HE2 GLN 24 15.963 3.799 -7.347
455 2HE2 GLN 24 1HE2 GLN 24 15.644 5.032 -8.514
456 H ALA 25 H ALA 25 14.390 4.565 -1.661
457 HA ALA 25 HA ALA 25 16.996 5.148 -0.722
458 1HB ALA 25 1HB ALA 25 14.890 6.499 -0.333
459 2HB ALA 25 2HB ALA 25 14.478 5.323 0.915
460 3HB ALA 25 3HB ALA 25 15.948 6.288 1.063
461 H LEU 26 H LEU 26 14.871 2.482 -0.244
462 HA LEU 26 HA LEU 26 16.009 1.601 2.239
463 1HB LEU 26 1HB LEU 26 14.233 0.212 0.233
464 2HB LEU 26 2HB LEU 26 14.704 -0.479 1.775
465 HG LEU 26 HG LEU 26 13.282 2.161 1.632
466 1HD1 LEU 26 1HD1 LEU 26 12.165 -0.578 1.314
467 2HD1 LEU 26 2HD1 LEU 26 11.259 0.613 2.247
468 3HD1 LEU 26 3HD1 LEU 26 11.671 0.940 0.566
469 1HD2 LEU 26 1HD2 LEU 26 14.452 1.330 3.722
470 2HD2 LEU 26 2HD2 LEU 26 12.749 1.751 3.893
471 3HD2 LEU 26 3HD2 LEU 26 13.231 0.059 3.781
472 H ARG 27 H ARG 27 16.041 0.202 -1.052
473 HA ARG 27 HA ARG 27 17.902 -1.779 -0.636
474 1HB ARG 27 1HB ARG 27 18.545 -1.300 -3.123
475 2HB ARG 27 2HB ARG 27 16.942 -1.898 -2.729
476 1HG ARG 27 1HG ARG 27 16.748 0.891 -2.631
477 2HG ARG 27 2HG ARG 27 17.726 0.527 -4.051
478 1HD ARG 27 1HD ARG 27 15.743 -1.341 -4.235
479 2HD ARG 27 2HD ARG 27 14.886 0.034 -3.540
480 HE ARG 27 HE ARG 27 16.365 1.026 -5.652
481 1HH1 ARG 27 1HH1 ARG 27 13.807 -1.305 -5.202
482 2HH1 ARG 27 2HH1 ARG 27 13.130 -1.052 -6.775
483 1HH2 ARG 27 1HH2 ARG 27 15.472 1.362 -7.721
484 2HH2 ARG 27 2HH2 ARG 27 14.075 0.463 -8.206
485 H HIS 28 H HIS 28 18.443 1.639 -0.827
486 HA HIS 28 HA HIS 28 21.182 1.637 -1.471
487 1HB HIS 28 1HB HIS 28 19.229 3.558 -0.414
488 2HB HIS 28 2HB HIS 28 20.876 3.846 0.134
489 HD1 HIS 28 HD1 HIS 28 22.221 2.905 -2.619
490 HD2 HIS 28 HD2 HIS 28 19.157 5.672 -2.158
491 HE1 HIS 28 HE1 HIS 28 22.291 4.389 -4.666
492 H LYS 29 H LYS 29 19.474 1.075 1.524
493 HA LYS 29 HA LYS 29 21.538 1.498 3.356
494 1HB LYS 29 1HB LYS 29 18.954 0.140 3.340
495 2HB LYS 29 2HB LYS 29 20.117 -0.642 4.400
496 1HG LYS 29 1HG LYS 29 20.517 1.844 5.202
497 2HG LYS 29 2HG LYS 29 18.872 2.043 4.593
498 1HD LYS 29 1HD LYS 29 19.746 -0.037 6.599
499 2HD LYS 29 2HD LYS 29 18.936 1.479 6.995
500 1HE LYS 29 1HE LYS 29 17.383 0.246 5.000
501 2HE LYS 29 2HE LYS 29 17.808 -1.020 6.151
502 1HZ LYS 29 1HZ LYS 29 16.921 1.498 7.297
503 2HZ LYS 29 2HZ LYS 29 15.741 0.612 6.470
504 3HZ LYS 29 3HZ LYS 29 16.572 -0.089 7.767
505 H GLY 30 H GLY 30 22.102 -0.715 4.760
506 1HA GLY 30 1HA GLY 30 23.651 -2.331 2.834
507 2HA GLY 30 2HA GLY 30 24.163 -1.979 4.478
508 1HN NH2 31 1HN NH2 31 22.825 -2.897 6.219
509 2HN NH2 31 2HN NH2 31 22.104 -4.448 5.972
Start of MODEL 25
1 1H ACE 0 1H ACE 0 -23.875 3.248 -4.790
2 2H ACE 0 2H ACE 0 -23.735 4.630 -5.876
3 3H ACE 0 3H ACE 0 -23.103 4.733 -4.233
4 H GLU 1 H GLU 1 -20.950 4.701 -4.229
5 HA GLU 1 HA GLU 1 -19.493 3.363 -6.364
6 1HB GLU 1 1HB GLU 1 -18.874 5.422 -4.326
7 2HB GLU 1 2HB GLU 1 -17.544 4.387 -4.827
8 1HG GLU 1 1HG GLU 1 -18.092 4.999 -7.197
9 2HG GLU 1 2HG GLU 1 -19.214 6.196 -6.550
10 H VAL 2 H VAL 2 -20.916 1.884 -4.203
11 HA VAL 2 HA VAL 2 -19.427 0.773 -2.237
12 HB VAL 2 HB VAL 2 -21.223 -0.734 -4.140
13 1HG1 VAL 2 1HG1 VAL 2 -19.828 -1.511 -1.655
14 2HG1 VAL 2 2HG1 VAL 2 -21.521 -1.994 -1.780
15 3HG1 VAL 2 3HG1 VAL 2 -20.364 -2.500 -3.013
16 1HG2 VAL 2 1HG2 VAL 2 -21.778 0.802 -1.612
17 2HG2 VAL 2 2HG2 VAL 2 -22.453 1.069 -3.219
18 3HG2 VAL 2 3HG2 VAL 2 -22.909 -0.365 -2.299
19 H ALA 3 H ALA 3 -19.525 -0.530 -5.564
20 HA ALA 3 HA ALA 3 -17.526 -2.450 -5.225
21 1HB ALA 3 1HB ALA 3 -19.208 -1.932 -7.206
22 2HB ALA 3 2HB ALA 3 -17.785 -1.129 -7.871
23 3HB ALA 3 3HB ALA 3 -17.720 -2.843 -7.461
24 H GLN 4 H GLN 4 -17.320 0.977 -5.812
25 HA GLN 4 HA GLN 4 -14.595 1.009 -6.646
26 1HB GLN 4 1HB GLN 4 -16.503 2.809 -6.885
27 2HB GLN 4 2HB GLN 4 -15.881 3.369 -5.339
28 1HG GLN 4 1HG GLN 4 -13.995 4.193 -6.241
29 2HG GLN 4 2HG GLN 4 -13.859 2.887 -7.417
30 1HE2 GLN 4 2HE2 GLN 4 -16.118 3.019 -8.831
31 2HE2 GLN 4 1HE2 GLN 4 -16.264 4.541 -9.634
32 H LEU 5 H LEU 5 -16.006 0.417 -3.651
33 HA LEU 5 HA LEU 5 -13.641 1.393 -2.203
34 1HB LEU 5 1HB LEU 5 -16.205 0.434 -0.958
35 2HB LEU 5 2HB LEU 5 -14.935 1.388 -0.217
36 HG LEU 5 HG LEU 5 -16.558 2.457 -2.509
37 1HD1 LEU 5 1HD1 LEU 5 -17.335 2.106 0.319
38 2HD1 LEU 5 2HD1 LEU 5 -17.667 3.680 -0.404
39 3HD1 LEU 5 3HD1 LEU 5 -18.333 2.218 -1.130
40 1HD2 LEU 5 1HD2 LEU 5 -14.747 3.602 -0.414
41 2HD2 LEU 5 2HD2 LEU 5 -14.685 3.794 -2.166
42 3HD2 LEU 5 3HD2 LEU 5 -15.944 4.605 -1.234
43 H GLU 6 H GLU 6 -15.551 -1.446 -2.938
44 HA GLU 6 HA GLU 6 -14.202 -3.179 -1.109
45 1HB GLU 6 1HB GLU 6 -15.729 -3.986 -3.584
46 2HB GLU 6 2HB GLU 6 -15.414 -4.962 -2.156
47 1HG GLU 6 1HG GLU 6 -16.987 -3.852 -0.885
48 2HG GLU 6 2HG GLU 6 -16.954 -2.418 -1.911
49 H LYS 7 H LYS 7 -14.108 -2.916 -4.667
50 HA LYS 7 HA LYS 7 -11.957 -4.689 -5.023
51 1HB LYS 7 1HB LYS 7 -12.648 -2.372 -6.832
52 2HB LYS 7 2HB LYS 7 -11.840 -3.870 -7.275
53 1HG LYS 7 1HG LYS 7 -14.056 -4.969 -6.432
54 2HG LYS 7 2HG LYS 7 -14.721 -3.360 -6.723
55 1HD LYS 7 1HD LYS 7 -13.164 -4.932 -8.770
56 2HD LYS 7 2HD LYS 7 -14.925 -4.943 -8.653
57 1HE LYS 7 1HE LYS 7 -13.334 -2.410 -8.955
58 2HE LYS 7 2HE LYS 7 -13.904 -3.344 -10.339
59 1HZ LYS 7 1HZ LYS 7 -16.151 -3.119 -8.939
60 2HZ LYS 7 2HZ LYS 7 -15.395 -1.677 -8.486
61 3HZ LYS 7 3HZ LYS 7 -15.681 -2.005 -10.121
62 H GLU 8 H GLU 8 -12.076 -1.307 -4.203
63 HA GLU 8 HA GLU 8 -9.486 -0.535 -4.897
64 1HB GLU 8 1HB GLU 8 -11.417 0.907 -4.064
65 2HB GLU 8 2HB GLU 8 -10.922 0.447 -2.441
66 1HG GLU 8 1HG GLU 8 -8.767 1.460 -2.756
67 2HG GLU 8 2HG GLU 8 -9.131 1.795 -4.448
68 H VAL 9 H VAL 9 -10.635 -2.532 -2.309
69 HA VAL 9 HA VAL 9 -8.315 -2.289 -0.651
70 HB VAL 9 HB VAL 9 -10.466 -4.413 -0.688
71 1HG1 VAL 9 1HG1 VAL 9 -8.399 -5.224 0.347
72 2HG1 VAL 9 2HG1 VAL 9 -8.386 -3.823 1.419
73 3HG1 VAL 9 3HG1 VAL 9 -9.681 -5.015 1.539
74 1HG2 VAL 9 1HG2 VAL 9 -11.323 -2.184 -0.194
75 2HG2 VAL 9 2HG2 VAL 9 -11.370 -3.208 1.241
76 3HG2 VAL 9 3HG2 VAL 9 -10.109 -1.987 1.069
77 H ALA 10 H ALA 10 -9.560 -5.028 -2.579
78 HA ALA 10 HA ALA 10 -7.341 -6.666 -2.411
79 1HB ALA 10 1HB ALA 10 -9.731 -6.906 -3.592
80 2HB ALA 10 2HB ALA 10 -8.732 -6.629 -5.019
81 3HB ALA 10 3HB ALA 10 -8.375 -7.978 -3.940
82 H GLN 11 H GLN 11 -7.803 -3.785 -4.281
83 HA GLN 11 HA GLN 11 -5.770 -4.192 -6.203
84 1HB GLN 11 1HB GLN 11 -7.483 -2.519 -6.553
85 2HB GLN 11 2HB GLN 11 -6.993 -1.656 -5.103
86 1HG GLN 11 1HG GLN 11 -5.660 -0.411 -6.349
87 2HG GLN 11 2HG GLN 11 -4.696 -1.846 -6.697
88 1HE2 GLN 11 2HE2 GLN 11 -6.560 -3.259 -8.221
89 2HE2 GLN 11 1HE2 GLN 11 -6.793 -2.426 -9.716
90 H LEU 12 H LEU 12 -5.785 -2.306 -3.168
91 HA LEU 12 HA LEU 12 -2.953 -1.848 -3.302
92 1HB LEU 12 1HB LEU 12 -4.837 -1.434 -0.980
93 2HB LEU 12 2HB LEU 12 -3.215 -0.784 -1.130
94 HG LEU 12 HG LEU 12 -5.428 -0.082 -3.051
95 1HD1 LEU 12 1HD1 LEU 12 -4.587 1.310 -0.516
96 2HD1 LEU 12 2HD1 LEU 12 -5.594 2.036 -1.766
97 3HD1 LEU 12 3HD1 LEU 12 -6.168 0.623 -0.882
98 1HD2 LEU 12 1HD2 LEU 12 -2.678 0.985 -2.479
99 2HD2 LEU 12 2HD2 LEU 12 -3.342 0.412 -4.010
100 3HD2 LEU 12 3HD2 LEU 12 -3.898 1.938 -3.324
101 H GLU 13 H GLU 13 -5.074 -4.148 -1.737
102 HA GLU 13 HA GLU 13 -3.311 -5.156 0.187
103 1HB GLU 13 1HB GLU 13 -5.763 -6.121 -1.161
104 2HB GLU 13 2HB GLU 13 -4.747 -7.356 -0.430
105 1HG GLU 13 1HG GLU 13 -4.848 -6.135 1.706
106 2HG GLU 13 2HG GLU 13 -5.933 -4.965 0.958
107 H ALA 14 H ALA 14 -3.405 -5.575 -3.246
108 HA ALA 14 HA ALA 14 -1.632 -7.881 -3.186
109 1HB ALA 14 1HB ALA 14 -3.433 -7.811 -4.840
110 2HB ALA 14 2HB ALA 14 -2.739 -6.346 -5.534
111 3HB ALA 14 3HB ALA 14 -1.848 -7.867 -5.614
112 H GLU 15 H GLU 15 -1.546 -4.447 -3.963
113 HA GLU 15 HA GLU 15 1.210 -4.572 -4.846
114 1HB GLU 15 1HB GLU 15 -0.644 -2.985 -5.717
115 2HB GLU 15 2HB GLU 15 -0.303 -2.040 -4.273
116 1HG GLU 15 1HG GLU 15 0.937 -1.111 -6.075
117 2HG GLU 15 2HG GLU 15 2.073 -1.916 -4.993
118 H ASN 16 H ASN 16 -0.555 -2.971 -2.194
119 HA ASN 16 HA ASN 16 1.549 -1.871 -0.816
120 1HB ASN 16 1HB ASN 16 -0.789 -1.502 -0.206
121 2HB ASN 16 2HB ASN 16 -0.930 -3.170 0.339
122 1HD2 ASN 16 2HD2 ASN 16 -1.587 -2.315 2.368
123 2HD2 ASN 16 1HD2 ASN 16 -0.416 -1.728 3.495
124 H TYR 17 H TYR 17 0.541 -5.223 -0.911
125 HA TYR 17 HA TYR 17 2.225 -6.055 1.258
126 1HB TYR 17 1HB TYR 17 0.253 -7.350 0.812
127 2HB TYR 17 2HB TYR 17 0.722 -7.590 -0.867
128 HD1 TYR 17 HD1 TYR 17 2.369 -8.106 2.458
129 HD2 TYR 17 HD2 TYR 17 1.338 -9.756 -1.325
130 HE1 TYR 17 HE1 TYR 17 3.486 -10.207 3.076
131 HE2 TYR 17 HE2 TYR 17 2.450 -11.862 -0.718
132 HH TYR 17 HH TYR 17 4.579 -12.308 1.287
133 H GLN 18 H GLN 18 2.474 -5.967 -2.252
134 HA GLN 18 HA GLN 18 4.753 -7.554 -2.565
135 1HB GLN 18 1HB GLN 18 3.250 -6.697 -4.394
136 2HB GLN 18 2HB GLN 18 4.048 -5.138 -4.234
137 1HG GLN 18 1HG GLN 18 5.465 -5.864 -5.778
138 2HG GLN 18 2HG GLN 18 6.152 -6.883 -4.514
139 1HE2 GLN 18 2HE2 GLN 18 6.405 -7.645 -7.093
140 2HE2 GLN 18 1HE2 GLN 18 5.401 -9.013 -7.419
141 H LEU 19 H LEU 19 4.403 -4.244 -1.518
142 HA LEU 19 HA LEU 19 7.271 -3.763 -1.697
143 1HB LEU 19 1HB LEU 19 4.964 -2.019 -0.864
144 2HB LEU 19 2HB LEU 19 6.636 -1.503 -0.787
145 HG LEU 19 HG LEU 19 5.049 -2.176 -3.261
146 1HD1 LEU 19 1HD1 LEU 19 4.762 0.067 -2.168
147 2HD1 LEU 19 2HD1 LEU 19 6.464 0.369 -2.508
148 3HD1 LEU 19 3HD1 LEU 19 5.333 0.108 -3.836
149 1HD2 LEU 19 1HD2 LEU 19 7.998 -1.761 -2.876
150 2HD2 LEU 19 2HD2 LEU 19 7.166 -3.051 -3.745
151 3HD2 LEU 19 3HD2 LEU 19 7.204 -1.419 -4.414
152 H GLU 20 H GLU 20 4.749 -3.646 0.824
153 HA GLU 20 HA GLU 20 6.292 -3.180 3.035
154 1HB GLU 20 1HB GLU 20 3.692 -3.740 2.666
155 2HB GLU 20 2HB GLU 20 4.215 -5.270 3.355
156 1HG GLU 20 1HG GLU 20 5.026 -2.764 4.723
157 2HG GLU 20 2HG GLU 20 3.348 -3.290 4.858
158 H GLN 21 H GLN 21 6.100 -6.112 1.170
159 HA GLN 21 HA GLN 21 7.562 -7.635 3.176
160 1HB GLN 21 1HB GLN 21 5.740 -8.287 1.119
161 2HB GLN 21 2HB GLN 21 7.272 -9.028 0.679
162 1HG GLN 21 1HG GLN 21 6.312 -9.351 3.469
163 2HG GLN 21 2HG GLN 21 5.508 -10.265 2.194
164 1HE2 GLN 21 2HE2 GLN 21 7.122 -11.339 0.643
165 2HE2 GLN 21 1HE2 GLN 21 8.435 -12.174 1.393
166 H GLU 22 H GLU 22 8.134 -5.901 0.227
167 HA GLU 22 HA GLU 22 10.744 -7.127 -0.171
168 1HB GLU 22 1HB GLU 22 9.098 -5.131 -1.691
169 2HB GLU 22 2HB GLU 22 10.814 -5.302 -2.032
170 1HG GLU 22 1HG GLU 22 10.370 -7.765 -2.368
171 2HG GLU 22 2HG GLU 22 8.653 -7.363 -2.329
172 H VAL 23 H VAL 23 9.348 -4.123 0.976
173 HA VAL 23 HA VAL 23 11.711 -2.591 1.064
174 HB VAL 23 HB VAL 23 9.340 -2.317 2.912
175 1HG1 VAL 23 1HG1 VAL 23 11.726 -0.967 2.915
176 2HG1 VAL 23 2HG1 VAL 23 10.691 0.085 1.948
177 3HG1 VAL 23 3HG1 VAL 23 10.208 -0.368 3.582
178 1HG2 VAL 23 1HG2 VAL 23 9.233 -2.270 0.154
179 2HG2 VAL 23 2HG2 VAL 23 8.068 -1.530 1.252
180 3HG2 VAL 23 3HG2 VAL 23 9.386 -0.567 0.587
181 H ALA 24 H ALA 24 10.385 -5.003 3.198
182 HA ALA 24 HA ALA 24 11.755 -4.403 5.557
183 1HB ALA 24 1HB ALA 24 10.670 -6.950 4.412
184 2HB ALA 24 2HB ALA 24 11.543 -6.939 5.944
185 3HB ALA 24 3HB ALA 24 10.067 -5.991 5.763
186 H GLN 25 H GLN 25 12.845 -5.885 2.602
187 HA GLN 25 HA GLN 25 15.387 -6.646 3.842
188 1HB GLN 25 1HB GLN 25 14.159 -7.283 1.160
189 2HB GLN 25 2HB GLN 25 15.819 -7.693 1.570
190 1HG GLN 25 1HG GLN 25 14.776 -9.649 2.084
191 2HG GLN 25 2HG GLN 25 14.693 -8.833 3.645
192 1HE2 GLN 25 2HE2 GLN 25 12.949 -10.302 1.156
193 2HE2 GLN 25 1HE2 GLN 25 11.358 -9.914 1.705
194 H LEU 26 H LEU 26 13.985 -4.402 1.564
195 HA LEU 26 HA LEU 26 16.265 -3.524 0.231
196 1HB LEU 26 1HB LEU 26 13.762 -2.050 1.037
197 2HB LEU 26 2HB LEU 26 15.000 -1.344 0.015
198 HG LEU 26 HG LEU 26 13.569 -3.899 -0.691
199 1HD1 LEU 26 1HD1 LEU 26 12.314 -1.487 -0.480
200 2HD1 LEU 26 2HD1 LEU 26 12.847 -1.477 -2.162
201 3HD1 LEU 26 3HD1 LEU 26 11.834 -2.790 -1.566
202 1HD2 LEU 26 1HD2 LEU 26 15.800 -3.329 -1.731
203 2HD2 LEU 26 2HD2 LEU 26 14.464 -3.586 -2.854
204 3HD2 LEU 26 3HD2 LEU 26 14.998 -1.948 -2.476
205 H GLU 27 H GLU 27 14.772 -2.128 3.154
206 HA GLU 27 HA GLU 27 17.161 -0.539 3.632
207 1HB GLU 27 1HB GLU 27 15.849 0.412 5.515
208 2HB GLU 27 2HB GLU 27 15.046 0.574 3.960
209 1HG GLU 27 1HG GLU 27 13.498 -1.123 4.465
210 2HG GLU 27 2HG GLU 27 14.435 -1.669 5.854
211 H HIS 28 H HIS 28 18.097 -2.932 3.824
212 HA HIS 28 HA HIS 28 17.801 -4.028 6.493
213 1HB HIS 28 1HB HIS 28 18.064 -5.448 4.414
214 2HB HIS 28 2HB HIS 28 19.737 -4.907 4.347
215 HD1 HIS 28 HD1 HIS 28 17.508 -6.495 7.026
216 HD2 HIS 28 HD2 HIS 28 21.368 -6.672 5.502
217 HE1 HIS 28 HE1 HIS 28 18.703 -8.304 8.329
218 H GLU 29 H GLU 29 20.387 -2.575 4.533
219 HA GLU 29 HA GLU 29 22.260 -2.560 6.700
220 1HB GLU 29 1HB GLU 29 22.320 -1.085 4.064
221 2HB GLU 29 2HB GLU 29 23.671 -1.235 5.178
222 1HG GLU 29 1HG GLU 29 24.272 -3.081 4.127
223 2HG GLU 29 2HG GLU 29 22.786 -3.847 4.688
224 H GLY 30 H GLY 30 20.714 0.106 4.893
225 1HA GLY 30 1HA GLY 30 21.331 1.962 7.029
226 2HA GLY 30 2HA GLY 30 20.518 2.340 5.517
227 1HN NH2 31 1HN NH2 31 18.327 0.891 5.458
228 2HN NH2 31 2HN NH2 31 17.307 1.194 6.819
229 1H ACE 0 1H ACE 0 -16.876 -4.335 5.336
230 2H ACE 0 2H ACE 0 -16.890 -5.502 4.015
231 3H ACE 0 3H ACE 0 -18.179 -5.518 5.219
232 H GLU 1 H GLU 1 -19.133 -3.113 5.441
233 HA GLU 1 HA GLU 1 -20.326 -2.577 2.888
234 1HB GLU 1 1HB GLU 1 -21.556 -0.779 4.197
235 2HB GLU 1 2HB GLU 1 -21.804 -2.435 4.731
236 1HG GLU 1 1HG GLU 1 -19.605 -0.990 6.042
237 2HG GLU 1 2HG GLU 1 -21.228 -0.386 6.370
238 H VAL 2 H VAL 2 -20.763 0.043 2.721
239 HA VAL 2 HA VAL 2 -18.753 1.127 1.325
240 HB VAL 2 HB VAL 2 -20.510 2.741 3.166
241 1HG1 VAL 2 1HG1 VAL 2 -18.417 3.600 1.590
242 2HG1 VAL 2 2HG1 VAL 2 -19.833 3.874 0.575
243 3HG1 VAL 2 3HG1 VAL 2 -19.748 4.594 2.182
244 1HG2 VAL 2 1HG2 VAL 2 -21.045 1.286 0.654
245 2HG2 VAL 2 2HG2 VAL 2 -22.130 1.699 1.982
246 3HG2 VAL 2 3HG2 VAL 2 -21.711 2.915 0.775
247 H GLN 3 H GLN 3 -19.230 2.622 4.475
248 HA GLN 3 HA GLN 3 -16.634 3.591 4.696
249 1HB GLN 3 1HB GLN 3 -18.799 3.084 6.715
250 2HB GLN 3 2HB GLN 3 -17.226 3.690 7.213
251 1HG GLN 3 1HG GLN 3 -17.596 5.524 5.464
252 2HG GLN 3 2HG GLN 3 -19.282 5.007 5.481
253 1HE2 GLN 3 2HE2 GLN 3 -17.697 7.448 6.442
254 2HE2 GLN 3 1HE2 GLN 3 -18.307 7.717 8.036
255 H ALA 4 H ALA 4 -18.060 0.626 6.006
256 HA ALA 4 HA ALA 4 -15.954 -0.237 7.584
257 1HB ALA 4 1HB ALA 4 -18.236 -1.278 7.377
258 2HB ALA 4 2HB ALA 4 -17.640 -2.093 5.933
259 3HB ALA 4 3HB ALA 4 -16.886 -2.407 7.494
260 H LEU 5 H LEU 5 -16.208 -0.222 4.108
261 HA LEU 5 HA LEU 5 -13.662 -1.706 3.941
262 1HB LEU 5 1HB LEU 5 -16.024 -1.500 2.160
263 2HB LEU 5 2HB LEU 5 -14.460 -1.635 1.388
264 HG LEU 5 HG LEU 5 -15.569 -3.603 3.390
265 1HD1 LEU 5 1HD1 LEU 5 -16.622 -3.360 1.009
266 2HD1 LEU 5 2HD1 LEU 5 -15.160 -4.206 0.500
267 3HD1 LEU 5 3HD1 LEU 5 -16.253 -4.955 1.666
268 1HD2 LEU 5 1HD2 LEU 5 -12.929 -3.140 2.473
269 2HD2 LEU 5 2HD2 LEU 5 -13.520 -4.446 3.498
270 3HD2 LEU 5 3HD2 LEU 5 -13.492 -4.645 1.747
271 H LYS 6 H LYS 6 -15.457 1.015 2.679
272 HA LYS 6 HA LYS 6 -13.671 2.269 1.045
273 1HB LYS 6 1HB LYS 6 -15.883 3.106 1.249
274 2HB LYS 6 2HB LYS 6 -15.713 3.319 2.983
275 1HG LYS 6 1HG LYS 6 -14.521 5.281 2.761
276 2HG LYS 6 2HG LYS 6 -13.970 4.884 1.132
277 1HD LYS 6 1HD LYS 6 -15.551 6.445 0.616
278 2HD LYS 6 2HD LYS 6 -16.568 5.003 0.625
279 1HE LYS 6 1HE LYS 6 -17.701 5.665 2.450
280 2HE LYS 6 2HE LYS 6 -16.252 6.283 3.244
281 1HZ LYS 6 1HZ LYS 6 -17.427 7.740 0.969
282 2HZ LYS 6 2HZ LYS 6 -18.082 7.920 2.517
283 3HZ LYS 6 3HZ LYS 6 -16.466 8.327 2.230
284 H LYS 7 H LYS 7 -13.800 2.358 4.575
285 HA LYS 7 HA LYS 7 -11.651 4.265 4.778
286 1HB LYS 7 1HB LYS 7 -13.296 2.702 6.735
287 2HB LYS 7 2HB LYS 7 -11.829 3.512 7.270
288 1HG LYS 7 1HG LYS 7 -12.797 5.520 7.244
289 2HG LYS 7 2HG LYS 7 -13.565 5.230 5.683
290 1HD LYS 7 1HD LYS 7 -15.393 5.416 7.085
291 2HD LYS 7 2HD LYS 7 -15.139 3.672 7.050
292 1HE LYS 7 1HE LYS 7 -14.009 3.730 9.163
293 2HE LYS 7 2HE LYS 7 -14.026 5.493 9.175
294 1HZ LYS 7 1HZ LYS 7 -16.593 5.107 9.009
295 2HZ LYS 7 2HZ LYS 7 -16.210 3.609 9.696
296 3HZ LYS 7 3HZ LYS 7 -15.805 5.040 10.504
297 H ARG 8 H ARG 8 -12.037 0.776 5.286
298 HA ARG 8 HA ARG 8 -9.552 0.201 6.357
299 1HB ARG 8 1HB ARG 8 -9.967 -2.034 5.872
300 2HB ARG 8 2HB ARG 8 -11.579 -1.342 5.945
301 1HG ARG 8 1HG ARG 8 -11.993 -2.168 3.936
302 2HG ARG 8 2HG ARG 8 -10.739 -1.129 3.264
303 1HD ARG 8 1HD ARG 8 -9.598 -2.961 2.737
304 2HD ARG 8 2HD ARG 8 -9.379 -3.262 4.459
305 HE ARG 8 HE ARG 8 -11.236 -4.586 2.671
306 1HH1 ARG 8 1HH1 ARG 8 -10.308 -3.976 5.983
307 2HH1 ARG 8 2HH1 ARG 8 -11.120 -5.375 6.597
308 1HH2 ARG 8 1HH2 ARG 8 -12.304 -6.425 3.481
309 2HH2 ARG 8 2HH2 ARG 8 -12.252 -6.764 5.179
310 H VAL 9 H VAL 9 -10.360 1.086 3.105
311 HA VAL 9 HA VAL 9 -8.152 0.035 1.737
312 HB VAL 9 HB VAL 9 -9.642 2.597 1.144
313 1HG1 VAL 9 1HG1 VAL 9 -7.398 2.256 0.012
314 2HG1 VAL 9 2HG1 VAL 9 -8.129 0.874 -0.803
315 3HG1 VAL 9 3HG1 VAL 9 -8.782 2.493 -1.053
316 1HG2 VAL 9 1HG2 VAL 9 -10.750 0.144 1.272
317 2HG2 VAL 9 2HG2 VAL 9 -11.285 1.405 0.160
318 3HG2 VAL 9 3HG2 VAL 9 -10.183 0.146 -0.397
319 H GLN 10 H GLN 10 -8.577 3.119 3.432
320 HA GLN 10 HA GLN 10 -6.184 4.339 2.725
321 1HB GLN 10 1HB GLN 10 -6.489 5.776 4.606
322 2HB GLN 10 2HB GLN 10 -8.085 5.393 3.978
323 1HG GLN 10 1HG GLN 10 -8.668 4.828 6.035
324 2HG GLN 10 2HG GLN 10 -7.597 3.435 5.888
325 1HE2 GLN 10 2HE2 GLN 10 -6.987 6.910 6.245
326 2HE2 GLN 10 1HE2 GLN 10 -6.009 6.768 7.663
327 H ALA 11 H ALA 11 -6.743 1.662 4.829
328 HA ALA 11 HA ALA 11 -4.254 1.911 6.255
329 1HB ALA 11 1HB ALA 11 -6.516 0.751 6.954
330 2HB ALA 11 2HB ALA 11 -5.758 -0.651 6.200
331 3HB ALA 11 3HB ALA 11 -4.961 0.166 7.544
332 H LEU 12 H LEU 12 -4.835 1.133 3.130
333 HA LEU 12 HA LEU 12 -2.695 -0.888 3.050
334 1HB LEU 12 1HB LEU 12 -4.390 -0.376 0.664
335 2HB LEU 12 2HB LEU 12 -3.648 -1.865 1.205
336 HG LEU 12 HG LEU 12 -5.942 -0.701 2.742
337 1HD1 LEU 12 1HD1 LEU 12 -6.145 -2.418 0.273
338 2HD1 LEU 12 2HD1 LEU 12 -7.471 -2.049 1.375
339 3HD1 LEU 12 3HD1 LEU 12 -6.712 -0.756 0.447
340 1HD2 LEU 12 1HD2 LEU 12 -4.517 -3.289 2.531
341 2HD2 LEU 12 2HD2 LEU 12 -5.203 -2.482 3.941
342 3HD2 LEU 12 3HD2 LEU 12 -6.256 -3.345 2.818
343 H LYS 13 H LYS 13 -3.994 1.895 1.262
344 HA LYS 13 HA LYS 13 -1.597 2.237 -0.269
345 1HB LYS 13 1HB LYS 13 -2.703 4.344 -1.037
346 2HB LYS 13 2HB LYS 13 -3.649 2.887 -1.297
347 1HG LYS 13 1HG LYS 13 -5.298 4.146 -0.431
348 2HG LYS 13 2HG LYS 13 -4.604 3.623 1.103
349 1HD LYS 13 1HD LYS 13 -4.022 5.705 1.631
350 2HD LYS 13 2HD LYS 13 -3.210 5.924 0.081
351 1HE LYS 13 1HE LYS 13 -6.095 5.960 -0.194
352 2HE LYS 13 2HE LYS 13 -5.530 7.187 0.939
353 1HZ LYS 13 1HZ LYS 13 -3.980 7.961 -0.778
354 2HZ LYS 13 2HZ LYS 13 -4.615 6.828 -1.863
355 3HZ LYS 13 3HZ LYS 13 -5.591 8.079 -1.279
356 H ALA 14 H ALA 14 -2.784 3.461 2.758
357 HA ALA 14 HA ALA 14 -1.402 5.841 3.016
358 1HB ALA 14 1HB ALA 14 -2.207 3.761 5.014
359 2HB ALA 14 2HB ALA 14 -1.298 5.189 5.509
360 3HB ALA 14 3HB ALA 14 -2.878 5.370 4.747
361 H ARG 15 H ARG 15 -0.265 2.581 3.879
362 HA ARG 15 HA ARG 15 2.403 3.546 4.412
363 1HB ARG 15 1HB ARG 15 1.044 1.482 5.428
364 2HB ARG 15 2HB ARG 15 1.841 0.639 4.106
365 1HG ARG 15 1HG ARG 15 3.236 0.364 5.972
366 2HG ARG 15 2HG ARG 15 4.012 1.597 4.978
367 1HD ARG 15 1HD ARG 15 4.071 2.883 6.793
368 2HD ARG 15 2HD ARG 15 2.319 3.022 6.657
369 HE ARG 15 HE ARG 15 2.792 0.673 8.021
370 1HH1 ARG 15 1HH1 ARG 15 3.480 4.063 8.493
371 2HH1 ARG 15 2HH1 ARG 15 3.448 3.956 10.221
372 1HH2 ARG 15 1HH2 ARG 15 2.749 0.533 10.294
373 2HH2 ARG 15 2HH2 ARG 15 3.033 1.953 11.244
374 H ASN 16 H ASN 16 0.844 1.470 1.989
375 HA ASN 16 HA ASN 16 3.025 0.790 0.451
376 1HB ASN 16 1HB ASN 16 0.869 -0.180 0.017
377 2HB ASN 16 2HB ASN 16 0.185 1.386 -0.396
378 1HD2 ASN 16 2HD2 ASN 16 -0.464 0.198 -2.338
379 2HD2 ASN 16 1HD2 ASN 16 0.648 0.097 -3.656
380 H TYR 17 H TYR 17 0.992 3.699 0.143
381 HA TYR 17 HA TYR 17 2.216 4.828 -2.072
382 1HB TYR 17 1HB TYR 17 0.172 5.757 -1.155
383 2HB TYR 17 2HB TYR 17 1.001 6.201 0.334
384 HD1 TYR 17 HD1 TYR 17 1.228 6.802 -3.349
385 HD2 TYR 17 HD2 TYR 17 1.727 8.382 0.570
386 HE1 TYR 17 HE1 TYR 17 1.766 9.001 -4.310
387 HE2 TYR 17 HE2 TYR 17 2.266 10.585 -0.380
388 HH TYR 17 HH TYR 17 3.238 11.411 -2.678
389 H ALA 18 H ALA 18 3.233 4.791 1.280
390 HA ALA 18 HA ALA 18 5.329 6.711 0.949
391 1HB ALA 18 1HB ALA 18 4.366 4.948 3.117
392 2HB ALA 18 2HB ALA 18 6.062 5.427 3.184
393 3HB ALA 18 3HB ALA 18 4.799 6.658 3.150
394 H LEU 19 H LEU 19 5.252 3.157 1.238
395 HA LEU 19 HA LEU 19 8.023 2.784 0.926
396 1HB LEU 19 1HB LEU 19 6.172 0.726 -0.158
397 2HB LEU 19 2HB LEU 19 7.607 0.531 0.826
398 HG LEU 19 HG LEU 19 4.836 1.266 1.735
399 1HD1 LEU 19 1HD1 LEU 19 5.588 -1.144 1.369
400 2HD1 LEU 19 2HD1 LEU 19 6.636 -0.899 2.767
401 3HD1 LEU 19 3HD1 LEU 19 4.889 -0.737 2.937
402 1HD2 LEU 19 1HD2 LEU 19 7.403 1.984 2.916
403 2HD2 LEU 19 2HD2 LEU 19 5.780 2.561 3.294
404 3HD2 LEU 19 3HD2 LEU 19 6.371 1.061 4.008
405 H LYS 20 H LYS 20 5.390 2.462 -1.445
406 HA LYS 20 HA LYS 20 6.730 1.879 -3.731
407 1HB LYS 20 1HB LYS 20 4.196 2.635 -3.169
408 2HB LYS 20 2HB LYS 20 4.758 4.056 -4.037
409 1HG LYS 20 1HG LYS 20 4.844 2.983 -6.015
410 2HG LYS 20 2HG LYS 20 5.380 1.466 -5.292
411 1HD LYS 20 1HD LYS 20 3.212 1.051 -6.131
412 2HD LYS 20 2HD LYS 20 3.027 1.226 -4.385
413 1HE LYS 20 1HE LYS 20 2.566 3.443 -6.374
414 2HE LYS 20 2HE LYS 20 1.292 2.413 -5.722
415 1HZ LYS 20 1HZ LYS 20 2.302 3.201 -3.462
416 2HZ LYS 20 2HZ LYS 20 2.852 4.507 -4.389
417 3HZ LYS 20 3HZ LYS 20 1.197 4.173 -4.295
418 H GLN 21 H GLN 21 6.771 4.914 -2.026
419 HA GLN 21 HA GLN 21 8.082 6.317 -4.190
420 1HB GLN 21 1HB GLN 21 6.480 7.506 -2.788
421 2HB GLN 21 2HB GLN 21 7.452 7.172 -1.363
422 1HG GLN 21 1HG GLN 21 8.197 9.258 -1.764
423 2HG GLN 21 2HG GLN 21 9.296 8.405 -2.846
424 1HE2 GLN 21 2HE2 GLN 21 9.377 9.069 -4.870
425 2HE2 GLN 21 1HE2 GLN 21 8.191 10.038 -5.669
426 H LYS 22 H LYS 22 8.940 5.016 -1.012
427 HA LYS 22 HA LYS 22 11.690 5.900 -1.319
428 1HB LYS 22 1HB LYS 22 12.013 5.022 0.944
429 2HB LYS 22 2HB LYS 22 10.643 6.121 0.863
430 1HG LYS 22 1HG LYS 22 9.299 4.570 1.683
431 2HG LYS 22 2HG LYS 22 9.735 3.460 0.384
432 1HD LYS 22 1HD LYS 22 10.272 2.364 2.418
433 2HD LYS 22 2HD LYS 22 11.800 2.894 1.714
434 1HE LYS 22 1HE LYS 22 12.113 3.592 3.863
435 2HE LYS 22 2HE LYS 22 11.332 5.028 3.199
436 1HZ LYS 22 1HZ LYS 22 9.183 3.881 3.986
437 2HZ LYS 22 2HZ LYS 22 10.205 2.962 4.971
438 3HZ LYS 22 3HZ LYS 22 10.161 4.646 5.134
439 H VAL 23 H VAL 23 10.012 3.238 -2.419
440 HA VAL 23 HA VAL 23 11.457 1.005 -1.778
441 HB VAL 23 HB VAL 23 10.632 1.608 -4.619
442 1HG1 VAL 23 1HG1 VAL 23 12.034 -0.487 -3.803
443 2HG1 VAL 23 2HG1 VAL 23 10.433 -1.074 -3.358
444 3HG1 VAL 23 3HG1 VAL 23 10.777 -0.631 -5.030
445 1HG2 VAL 23 1HG2 VAL 23 9.009 0.902 -2.217
446 2HG2 VAL 23 2HG2 VAL 23 8.652 2.020 -3.533
447 3HG2 VAL 23 3HG2 VAL 23 8.534 0.282 -3.799
448 H GLN 24 H GLN 24 12.165 2.945 -4.691
449 HA GLN 24 HA GLN 24 14.668 1.772 -5.178
450 1HB GLN 24 1HB GLN 24 13.956 4.585 -5.981
451 2HB GLN 24 2HB GLN 24 14.989 3.438 -6.824
452 1HG GLN 24 1HG GLN 24 12.728 2.050 -6.899
453 2HG GLN 24 2HG GLN 24 12.040 3.670 -6.786
454 1HE2 GLN 24 2HE2 GLN 24 11.648 4.607 -8.648
455 2HE2 GLN 24 1HE2 GLN 24 12.471 4.310 -10.137
456 H ALA 25 H ALA 25 13.755 4.678 -3.385
457 HA ALA 25 HA ALA 25 16.254 5.775 -2.921
458 1HB ALA 25 1HB ALA 25 13.806 5.732 -1.168
459 2HB ALA 25 2HB ALA 25 15.236 6.707 -0.828
460 3HB ALA 25 3HB ALA 25 14.305 6.990 -2.299
461 H LEU 26 H LEU 26 14.771 2.964 -1.493
462 HA LEU 26 HA LEU 26 16.622 2.766 0.693
463 1HB LEU 26 1HB LEU 26 14.597 0.863 -0.470
464 2HB LEU 26 2HB LEU 26 15.631 0.434 0.880
465 HG LEU 26 HG LEU 26 13.548 2.614 0.826
466 1HD1 LEU 26 1HD1 LEU 26 13.735 -0.086 2.109
467 2HD1 LEU 26 2HD1 LEU 26 12.696 1.176 2.772
468 3HD1 LEU 26 3HD1 LEU 26 12.436 0.591 1.129
469 1HD2 LEU 26 1HD2 LEU 26 15.811 2.092 2.657
470 2HD2 LEU 26 2HD2 LEU 26 15.002 3.606 2.252
471 3HD2 LEU 26 3HD2 LEU 26 14.259 2.487 3.395
472 H ARG 27 H ARG 27 16.054 0.620 -2.109
473 HA ARG 27 HA ARG 27 18.390 -0.865 -1.852
474 1HB ARG 27 1HB ARG 27 18.088 -1.262 -4.373
475 2HB ARG 27 2HB ARG 27 16.790 -1.763 -3.300
476 1HG ARG 27 1HG ARG 27 16.174 0.866 -4.011
477 2HG ARG 27 2HG ARG 27 16.746 0.098 -5.493
478 1HD ARG 27 1HD ARG 27 15.165 -1.853 -4.658
479 2HD ARG 27 2HD ARG 27 14.366 -0.523 -3.822
480 HE ARG 27 HE ARG 27 13.591 0.243 -5.840
481 1HH1 ARG 27 1HH1 ARG 27 16.090 -2.128 -6.402
482 2HH1 ARG 27 2HH1 ARG 27 15.795 -2.220 -8.106
483 1HH2 ARG 27 1HH2 ARG 27 13.200 0.123 -8.079
484 2HH2 ARG 27 2HH2 ARG 27 14.154 -0.941 -9.059
485 H HIS 28 H HIS 28 17.910 2.315 -3.160
486 HA HIS 28 HA HIS 28 20.248 2.487 -4.731
487 1HB HIS 28 1HB HIS 28 18.237 4.354 -3.669
488 2HB HIS 28 2HB HIS 28 19.830 5.063 -3.907
489 HD1 HIS 28 HD1 HIS 28 20.808 4.782 -6.443
490 HD2 HIS 28 HD2 HIS 28 16.741 4.135 -5.901
491 HE1 HIS 28 HE1 HIS 28 19.755 4.930 -8.737
492 H LYS 29 H LYS 29 19.624 3.898 -1.511
493 HA LYS 29 HA LYS 29 22.336 4.518 -1.016
494 1HB LYS 29 1HB LYS 29 19.835 4.881 0.295
495 2HB LYS 29 2HB LYS 29 20.944 4.157 1.451
496 1HG LYS 29 1HG LYS 29 22.085 6.363 -0.101
497 2HG LYS 29 2HG LYS 29 20.735 6.815 0.941
498 1HD LYS 29 1HD LYS 29 22.438 7.042 2.440
499 2HD LYS 29 2HD LYS 29 22.080 5.332 2.684
500 1HE LYS 29 1HE LYS 29 23.932 5.681 0.505
501 2HE LYS 29 2HE LYS 29 24.530 6.478 1.960
502 1HZ LYS 29 1HZ LYS 29 23.718 4.161 2.972
503 2HZ LYS 29 2HZ LYS 29 24.147 3.650 1.419
504 3HZ LYS 29 3HZ LYS 29 25.289 4.420 2.399
505 H GLY 30 H GLY 30 23.778 2.878 -1.127
506 1HA GLY 30 1HA GLY 30 24.616 1.306 0.783
507 2HA GLY 30 2HA GLY 30 23.196 0.386 0.309
508 1HN NH2 31 1HN NH2 31 25.713 -0.716 0.212
509 2HN NH2 31 2HN NH2 31 26.167 -0.977 -1.434
Start of MODEL 26
1 1H ACE 0 1H ACE 0 -23.450 5.507 -3.477
2 2H ACE 0 2H ACE 0 -21.954 5.600 -2.548
3 3H ACE 0 3H ACE 0 -23.393 4.870 -1.834
4 H GLU 1 H GLU 1 -20.758 4.439 -4.085
5 HA GLU 1 HA GLU 1 -21.583 1.840 -4.979
6 1HB GLU 1 1HB GLU 1 -18.809 3.011 -5.160
7 2HB GLU 1 2HB GLU 1 -19.523 1.768 -6.180
8 1HG GLU 1 1HG GLU 1 -20.868 3.299 -7.311
9 2HG GLU 1 2HG GLU 1 -20.671 4.531 -6.065
10 H VAL 2 H VAL 2 -21.707 0.270 -3.493
11 HA VAL 2 HA VAL 2 -19.910 0.107 -1.261
12 HB VAL 2 HB VAL 2 -21.845 -2.006 -2.209
13 1HG1 VAL 2 1HG1 VAL 2 -20.619 -1.448 0.490
14 2HG1 VAL 2 2HG1 VAL 2 -21.832 -2.683 0.155
15 3HG1 VAL 2 3HG1 VAL 2 -20.232 -2.797 -0.577
16 1HG2 VAL 2 1HG2 VAL 2 -22.828 0.318 -1.837
17 2HG2 VAL 2 2HG2 VAL 2 -23.553 -1.015 -0.938
18 3HG2 VAL 2 3HG2 VAL 2 -22.434 0.084 -0.133
19 H ALA 3 H ALA 3 -20.628 -2.217 -3.876
20 HA ALA 3 HA ALA 3 -18.458 -3.897 -3.442
21 1HB ALA 3 1HB ALA 3 -20.547 -4.090 -5.024
22 2HB ALA 3 2HB ALA 3 -19.418 -3.465 -6.227
23 3HB ALA 3 3HB ALA 3 -19.058 -4.968 -5.377
24 H GLN 4 H GLN 4 -18.635 -0.842 -5.108
25 HA GLN 4 HA GLN 4 -16.279 -0.996 -6.621
26 1HB GLN 4 1HB GLN 4 -17.973 0.751 -6.943
27 2HB GLN 4 2HB GLN 4 -17.579 1.430 -5.370
28 1HG GLN 4 1HG GLN 4 -16.556 2.732 -7.119
29 2HG GLN 4 2HG GLN 4 -15.314 1.924 -6.162
30 1HE2 GLN 4 2HE2 GLN 4 -17.376 0.900 -8.862
31 2HE2 GLN 4 1HE2 GLN 4 -16.081 0.371 -9.875
32 H LEU 5 H LEU 5 -16.849 -0.171 -3.257
33 HA LEU 5 HA LEU 5 -14.165 0.733 -2.782
34 1HB LEU 5 1HB LEU 5 -16.299 -0.082 -0.808
35 2HB LEU 5 2HB LEU 5 -14.823 0.784 -0.428
36 HG LEU 5 HG LEU 5 -16.893 1.901 -2.305
37 1HD1 LEU 5 1HD1 LEU 5 -16.889 1.761 0.643
38 2HD1 LEU 5 2HD1 LEU 5 -17.269 3.329 -0.070
39 3HD1 LEU 5 3HD1 LEU 5 -18.233 1.913 -0.487
40 1HD2 LEU 5 1HD2 LEU 5 -14.594 3.080 -0.758
41 2HD2 LEU 5 2HD2 LEU 5 -14.762 2.957 -2.509
42 3HD2 LEU 5 3HD2 LEU 5 -15.813 4.040 -1.596
43 H GLU 6 H GLU 6 -15.889 -2.288 -2.580
44 HA GLU 6 HA GLU 6 -14.216 -3.746 -0.898
45 1HB GLU 6 1HB GLU 6 -16.115 -4.408 -3.082
46 2HB GLU 6 2HB GLU 6 -14.988 -5.667 -2.601
47 1HG GLU 6 1HG GLU 6 -15.778 -5.496 -0.297
48 2HG GLU 6 2HG GLU 6 -16.903 -4.227 -0.778
49 H LYS 7 H LYS 7 -14.086 -3.400 -4.432
50 HA LYS 7 HA LYS 7 -11.720 -4.939 -4.726
51 1HB LYS 7 1HB LYS 7 -13.140 -2.994 -6.537
52 2HB LYS 7 2HB LYS 7 -11.666 -3.826 -7.018
53 1HG LYS 7 1HG LYS 7 -13.371 -5.130 -7.910
54 2HG LYS 7 2HG LYS 7 -12.912 -5.982 -6.435
55 1HD LYS 7 1HD LYS 7 -14.798 -5.031 -5.256
56 2HD LYS 7 2HD LYS 7 -15.227 -4.060 -6.666
57 1HE LYS 7 1HE LYS 7 -16.288 -5.768 -7.646
58 2HE LYS 7 2HE LYS 7 -14.993 -6.902 -7.265
59 1HZ LYS 7 1HZ LYS 7 -15.934 -6.865 -4.923
60 2HZ LYS 7 2HZ LYS 7 -17.305 -6.130 -5.592
61 3HZ LYS 7 3HZ LYS 7 -16.841 -7.676 -6.098
62 H GLU 8 H GLU 8 -12.335 -1.633 -3.920
63 HA GLU 8 HA GLU 8 -9.955 -0.426 -4.726
64 1HB GLU 8 1HB GLU 8 -12.010 0.695 -3.767
65 2HB GLU 8 2HB GLU 8 -11.434 0.217 -2.177
66 1HG GLU 8 1HG GLU 8 -9.389 1.505 -2.533
67 2HG GLU 8 2HG GLU 8 -9.974 1.987 -4.125
68 H VAL 9 H VAL 9 -10.644 -2.576 -2.085
69 HA VAL 9 HA VAL 9 -8.214 -2.051 -0.644
70 HB VAL 9 HB VAL 9 -10.181 -4.337 -0.418
71 1HG1 VAL 9 1HG1 VAL 9 -7.778 -3.604 1.232
72 2HG1 VAL 9 2HG1 VAL 9 -9.100 -4.581 1.874
73 3HG1 VAL 9 3HG1 VAL 9 -8.170 -5.154 0.489
74 1HG2 VAL 9 1HG2 VAL 9 -11.058 -2.069 0.104
75 2HG2 VAL 9 2HG2 VAL 9 -11.070 -3.172 1.481
76 3HG2 VAL 9 3HG2 VAL 9 -9.826 -1.928 1.356
77 H ALA 10 H ALA 10 -9.416 -4.837 -2.527
78 HA ALA 10 HA ALA 10 -7.088 -6.351 -2.504
79 1HB ALA 10 1HB ALA 10 -9.443 -6.930 -3.387
80 2HB ALA 10 2HB ALA 10 -8.863 -6.271 -4.915
81 3HB ALA 10 3HB ALA 10 -8.042 -7.647 -4.182
82 H GLN 11 H GLN 11 -7.913 -3.526 -4.350
83 HA GLN 11 HA GLN 11 -6.069 -3.730 -6.445
84 1HB GLN 11 1HB GLN 11 -7.825 -2.070 -6.489
85 2HB GLN 11 2HB GLN 11 -7.191 -1.301 -5.044
86 1HG GLN 11 1HG GLN 11 -5.456 -0.307 -6.158
87 2HG GLN 11 2HG GLN 11 -5.457 -1.510 -7.443
88 1HE2 GLN 11 2HE2 GLN 11 -7.301 -1.471 -8.929
89 2HE2 GLN 11 1HE2 GLN 11 -8.010 0.054 -9.325
90 H LEU 12 H LEU 12 -5.748 -1.984 -3.343
91 HA LEU 12 HA LEU 12 -2.958 -1.476 -3.766
92 1HB LEU 12 1HB LEU 12 -4.618 -1.224 -1.257
93 2HB LEU 12 2HB LEU 12 -2.990 -0.609 -1.465
94 HG LEU 12 HG LEU 12 -5.230 0.301 -3.249
95 1HD1 LEU 12 1HD1 LEU 12 -4.434 1.433 -0.574
96 2HD1 LEU 12 2HD1 LEU 12 -5.463 2.250 -1.747
97 3HD1 LEU 12 3HD1 LEU 12 -5.995 0.740 -1.009
98 1HD2 LEU 12 1HD2 LEU 12 -2.558 1.443 -2.449
99 2HD2 LEU 12 2HD2 LEU 12 -3.024 0.826 -4.034
100 3HD2 LEU 12 3HD2 LEU 12 -3.761 2.303 -3.410
101 H GLU 13 H GLU 13 -4.849 -3.808 -1.914
102 HA GLU 13 HA GLU 13 -2.895 -4.930 -0.327
103 1HB GLU 13 1HB GLU 13 -5.410 -5.923 -1.549
104 2HB GLU 13 2HB GLU 13 -4.304 -7.134 -0.914
105 1HG GLU 13 1HG GLU 13 -4.328 -5.988 1.258
106 2HG GLU 13 2HG GLU 13 -5.480 -4.821 0.612
107 H ALA 14 H ALA 14 -3.298 -5.177 -3.763
108 HA ALA 14 HA ALA 14 -1.518 -7.444 -4.028
109 1HB ALA 14 1HB ALA 14 -3.468 -7.007 -5.555
110 2HB ALA 14 2HB ALA 14 -2.541 -5.667 -6.230
111 3HB ALA 14 3HB ALA 14 -1.930 -7.316 -6.363
112 H GLU 15 H GLU 15 -1.397 -3.950 -4.414
113 HA GLU 15 HA GLU 15 1.318 -4.021 -5.431
114 1HB GLU 15 1HB GLU 15 -0.566 -2.325 -6.038
115 2HB GLU 15 2HB GLU 15 -0.094 -1.527 -4.544
116 1HG GLU 15 1HG GLU 15 1.355 -0.418 -5.817
117 2HG GLU 15 2HG GLU 15 2.315 -1.896 -5.758
118 H ASN 16 H ASN 16 -0.307 -2.612 -2.582
119 HA ASN 16 HA ASN 16 1.891 -1.738 -1.185
120 1HB ASN 16 1HB ASN 16 -0.376 -1.278 -0.450
121 2HB ASN 16 2HB ASN 16 -0.650 -2.983 -0.111
122 1HD2 ASN 16 2HD2 ASN 16 -1.262 -2.086 1.991
123 2HD2 ASN 16 1HD2 ASN 16 -0.029 -1.832 3.172
124 H TYR 17 H TYR 17 0.621 -5.014 -1.415
125 HA TYR 17 HA TYR 17 2.299 -6.135 0.587
126 1HB TYR 17 1HB TYR 17 0.266 -7.276 -0.052
127 2HB TYR 17 2HB TYR 17 0.811 -7.404 -1.720
128 HD1 TYR 17 HD1 TYR 17 2.107 -8.309 1.677
129 HD2 TYR 17 HD2 TYR 17 1.521 -9.492 -2.368
130 HE1 TYR 17 HE1 TYR 17 3.108 -10.498 2.178
131 HE2 TYR 17 HE2 TYR 17 2.519 -11.684 -1.878
132 HH TYR 17 HH TYR 17 2.981 -12.847 1.207
133 H GLN 18 H GLN 18 2.519 -5.929 -2.945
134 HA GLN 18 HA GLN 18 4.817 -7.459 -3.310
135 1HB GLN 18 1HB GLN 18 3.156 -6.238 -4.994
136 2HB GLN 18 2HB GLN 18 4.437 -5.035 -4.998
137 1HG GLN 18 1HG GLN 18 5.726 -6.278 -6.307
138 2HG GLN 18 2HG GLN 18 5.484 -7.712 -5.310
139 1HE2 GLN 18 2HE2 GLN 18 4.571 -6.026 -8.152
140 2HE2 GLN 18 1HE2 GLN 18 3.477 -7.210 -8.774
141 H LEU 19 H LEU 19 4.452 -4.247 -2.046
142 HA LEU 19 HA LEU 19 7.330 -3.755 -2.246
143 1HB LEU 19 1HB LEU 19 5.150 -1.917 -1.269
144 2HB LEU 19 2HB LEU 19 6.821 -1.480 -1.567
145 HG LEU 19 HG LEU 19 4.870 -2.383 -3.687
146 1HD1 LEU 19 1HD1 LEU 19 4.995 0.075 -2.394
147 2HD1 LEU 19 2HD1 LEU 19 5.866 0.318 -3.907
148 3HD1 LEU 19 3HD1 LEU 19 4.207 -0.277 -3.932
149 1HD2 LEU 19 1HD2 LEU 19 7.760 -1.633 -3.705
150 2HD2 LEU 19 2HD2 LEU 19 6.934 -2.942 -4.549
151 3HD2 LEU 19 3HD2 LEU 19 6.755 -1.280 -5.111
152 H GLU 20 H GLU 20 4.726 -3.811 0.179
153 HA GLU 20 HA GLU 20 6.192 -3.290 2.453
154 1HB GLU 20 1HB GLU 20 3.665 -3.684 2.182
155 2HB GLU 20 2HB GLU 20 4.035 -5.386 2.414
156 1HG GLU 20 1HG GLU 20 5.333 -4.321 4.521
157 2HG GLU 20 2HG GLU 20 4.007 -3.173 4.346
158 H GLN 21 H GLN 21 6.171 -6.161 0.505
159 HA GLN 21 HA GLN 21 7.544 -7.741 2.518
160 1HB GLN 21 1HB GLN 21 5.951 -8.316 0.250
161 2HB GLN 21 2HB GLN 21 7.547 -8.980 -0.071
162 1HG GLN 21 1HG GLN 21 6.269 -9.500 2.566
163 2HG GLN 21 2HG GLN 21 5.719 -10.394 1.149
164 1HE2 GLN 21 2HE2 GLN 21 6.647 -12.290 0.960
165 2HE2 GLN 21 1HE2 GLN 21 8.268 -12.687 1.404
166 H GLU 22 H GLU 22 8.270 -5.868 -0.326
167 HA GLU 22 HA GLU 22 10.966 -6.915 -0.545
168 1HB GLU 22 1HB GLU 22 9.221 -5.149 -2.134
169 2HB GLU 22 2HB GLU 22 10.926 -4.721 -2.164
170 1HG GLU 22 1HG GLU 22 11.522 -6.588 -3.303
171 2HG GLU 22 2HG GLU 22 10.236 -7.565 -2.598
172 H VAL 23 H VAL 23 9.346 -3.996 0.574
173 HA VAL 23 HA VAL 23 11.625 -2.420 1.031
174 HB VAL 23 HB VAL 23 9.091 -2.318 2.667
175 1HG1 VAL 23 1HG1 VAL 23 11.382 -0.895 2.956
176 2HG1 VAL 23 2HG1 VAL 23 10.472 0.144 1.859
177 3HG1 VAL 23 3HG1 VAL 23 9.782 -0.316 3.416
178 1HG2 VAL 23 1HG2 VAL 23 9.235 -2.131 -0.110
179 2HG2 VAL 23 2HG2 VAL 23 7.909 -1.595 0.922
180 3HG2 VAL 23 3HG2 VAL 23 9.175 -0.461 0.452
181 H ALA 24 H ALA 24 9.941 -4.778 3.044
182 HA ALA 24 HA ALA 24 11.281 -4.324 5.455
183 1HB ALA 24 1HB ALA 24 10.008 -6.795 4.308
184 2HB ALA 24 2HB ALA 24 10.697 -6.743 5.930
185 3HB ALA 24 3HB ALA 24 9.351 -5.685 5.510
186 H GLN 25 H GLN 25 12.218 -6.070 2.579
187 HA GLN 25 HA GLN 25 14.520 -7.295 3.822
188 1HB GLN 25 1HB GLN 25 13.426 -7.217 1.023
189 2HB GLN 25 2HB GLN 25 15.040 -7.839 1.341
190 1HG GLN 25 1HG GLN 25 14.253 -9.660 2.521
191 2HG GLN 25 2HG GLN 25 12.709 -8.888 2.880
192 1HE2 GLN 25 2HE2 GLN 25 11.971 -11.052 2.135
193 2HE2 GLN 25 1HE2 GLN 25 11.668 -11.258 0.447
194 H LEU 26 H LEU 26 13.849 -4.574 1.672
195 HA LEU 26 HA LEU 26 16.453 -3.886 0.974
196 1HB LEU 26 1HB LEU 26 13.981 -2.219 1.378
197 2HB LEU 26 2HB LEU 26 15.493 -1.523 0.827
198 HG LEU 26 HG LEU 26 13.846 -3.614 -0.594
199 1HD1 LEU 26 1HD1 LEU 26 13.143 -1.167 -0.625
200 2HD1 LEU 26 2HD1 LEU 26 14.607 -0.878 -1.564
201 3HD1 LEU 26 3HD1 LEU 26 13.363 -1.962 -2.184
202 1HD2 LEU 26 1HD2 LEU 26 16.625 -2.619 -1.047
203 2HD2 LEU 26 2HD2 LEU 26 15.984 -4.258 -1.167
204 3HD2 LEU 26 3HD2 LEU 26 15.621 -3.075 -2.423
205 H GLU 27 H GLU 27 14.571 -2.030 3.357
206 HA GLU 27 HA GLU 27 17.042 -1.321 4.721
207 1HB GLU 27 1HB GLU 27 15.514 0.171 6.064
208 2HB GLU 27 2HB GLU 27 15.582 0.518 4.342
209 1HG GLU 27 1HG GLU 27 13.453 -0.326 3.958
210 2HG GLU 27 2HG GLU 27 13.442 -1.242 5.464
211 H HIS 28 H HIS 28 16.707 -3.940 5.075
212 HA HIS 28 HA HIS 28 15.119 -4.690 7.295
213 1HB HIS 28 1HB HIS 28 16.386 -6.771 7.266
214 2HB HIS 28 2HB HIS 28 15.963 -6.302 5.622
215 HD1 HIS 28 HD1 HIS 28 18.790 -7.374 7.608
216 HD2 HIS 28 HD2 HIS 28 18.220 -4.961 4.273
217 HE1 HIS 28 HE1 HIS 28 21.045 -7.175 6.482
218 H GLU 29 H GLU 29 18.401 -3.493 6.966
219 HA GLU 29 HA GLU 29 19.349 -4.097 9.531
220 1HB GLU 29 1HB GLU 29 20.922 -2.165 9.134
221 2HB GLU 29 2HB GLU 29 20.916 -3.399 7.882
222 1HG GLU 29 1HG GLU 29 19.014 -1.263 7.366
223 2HG GLU 29 2HG GLU 29 20.675 -0.689 7.499
224 H GLY 30 H GLY 30 17.278 -1.533 8.371
225 1HA GLY 30 1HA GLY 30 15.720 -0.529 9.928
226 2HA GLY 30 2HA GLY 30 16.967 -0.630 11.162
227 1HN NH2 31 1HN NH2 31 17.608 0.454 7.912
228 2HN NH2 31 2HN NH2 31 17.905 2.109 8.308
229 1H ACE 0 1H ACE 0 -17.802 -4.908 6.308
230 2H ACE 0 2H ACE 0 -16.372 -4.252 5.513
231 3H ACE 0 3H ACE 0 -17.178 -5.670 4.844
232 H GLU 1 H GLU 1 -18.601 -2.667 6.087
233 HA GLU 1 HA GLU 1 -20.111 -2.392 3.622
234 1HB GLU 1 1HB GLU 1 -20.297 -0.600 6.035
235 2HB GLU 1 2HB GLU 1 -21.506 -0.866 4.787
236 1HG GLU 1 1HG GLU 1 -22.337 -2.672 5.803
237 2HG GLU 1 2HG GLU 1 -20.741 -3.292 6.225
238 H VAL 2 H VAL 2 -20.550 0.304 3.499
239 HA VAL 2 HA VAL 2 -18.640 1.273 1.840
240 HB VAL 2 HB VAL 2 -19.379 3.630 2.847
241 1HG1 VAL 2 1HG1 VAL 2 -21.024 1.754 1.166
242 2HG1 VAL 2 2HG1 VAL 2 -21.409 3.463 1.379
243 3HG1 VAL 2 3HG1 VAL 2 -19.888 2.987 0.620
244 1HG2 VAL 2 1HG2 VAL 2 -20.608 2.048 4.663
245 2HG2 VAL 2 2HG2 VAL 2 -21.174 3.657 4.214
246 3HG2 VAL 2 3HG2 VAL 2 -21.894 2.229 3.470
247 H GLN 3 H GLN 3 -18.821 3.052 4.855
248 HA GLN 3 HA GLN 3 -16.157 3.831 4.856
249 1HB GLN 3 1HB GLN 3 -16.517 4.535 7.163
250 2HB GLN 3 2HB GLN 3 -17.898 4.963 6.162
251 1HG GLN 3 1HG GLN 3 -18.787 2.629 7.032
252 2HG GLN 3 2HG GLN 3 -17.683 2.987 8.359
253 1HE2 GLN 3 2HE2 GLN 3 -17.943 5.754 8.434
254 2HE2 GLN 3 1HE2 GLN 3 -19.539 6.149 8.968
255 H ALA 4 H ALA 4 -17.711 1.048 6.358
256 HA ALA 4 HA ALA 4 -15.669 0.164 8.008
257 1HB ALA 4 1HB ALA 4 -18.083 -0.927 6.906
258 2HB ALA 4 2HB ALA 4 -16.815 -2.153 6.929
259 3HB ALA 4 3HB ALA 4 -17.264 -1.320 8.417
260 H LEU 5 H LEU 5 -15.939 -0.048 4.531
261 HA LEU 5 HA LEU 5 -13.423 -1.588 4.446
262 1HB LEU 5 1HB LEU 5 -15.810 -1.476 2.686
263 2HB LEU 5 2HB LEU 5 -14.260 -1.692 1.905
264 HG LEU 5 HG LEU 5 -15.147 -3.486 4.149
265 1HD1 LEU 5 1HD1 LEU 5 -16.706 -3.293 2.022
266 2HD1 LEU 5 2HD1 LEU 5 -15.468 -4.335 1.322
267 3HD1 LEU 5 3HD1 LEU 5 -16.339 -4.850 2.765
268 1HD2 LEU 5 1HD2 LEU 5 -12.740 -3.227 2.934
269 2HD2 LEU 5 2HD2 LEU 5 -13.332 -4.720 3.661
270 3HD2 LEU 5 3HD2 LEU 5 -13.493 -4.461 1.925
271 H LYS 6 H LYS 6 -15.188 1.100 3.104
272 HA LYS 6 HA LYS 6 -13.401 2.182 1.322
273 1HB LYS 6 1HB LYS 6 -15.602 3.051 1.459
274 2HB LYS 6 2HB LYS 6 -15.437 3.389 3.171
275 1HG LYS 6 1HG LYS 6 -14.423 5.379 2.820
276 2HG LYS 6 2HG LYS 6 -13.570 4.813 1.382
277 1HD LYS 6 1HD LYS 6 -15.110 6.381 0.569
278 2HD LYS 6 2HD LYS 6 -15.864 4.819 0.246
279 1HE LYS 6 1HE LYS 6 -17.658 5.754 1.227
280 2HE LYS 6 2HE LYS 6 -16.821 5.335 2.721
281 1HZ LYS 6 1HZ LYS 6 -15.734 7.698 2.219
282 2HZ LYS 6 2HZ LYS 6 -17.245 7.939 1.499
283 3HZ LYS 6 3HZ LYS 6 -17.145 7.512 3.133
284 H LYS 7 H LYS 7 -13.493 2.523 4.842
285 HA LYS 7 HA LYS 7 -11.329 4.428 4.866
286 1HB LYS 7 1HB LYS 7 -11.610 4.529 7.205
287 2HB LYS 7 2HB LYS 7 -13.230 4.337 6.552
288 1HG LYS 7 1HG LYS 7 -12.775 1.794 6.976
289 2HG LYS 7 2HG LYS 7 -11.571 2.415 8.107
290 1HD LYS 7 1HD LYS 7 -14.489 3.189 8.103
291 2HD LYS 7 2HD LYS 7 -13.771 1.976 9.164
292 1HE LYS 7 1HE LYS 7 -12.166 4.260 9.416
293 2HE LYS 7 2HE LYS 7 -13.830 4.841 9.434
294 1HZ LYS 7 1HZ LYS 7 -12.788 2.667 11.168
295 2HZ LYS 7 2HZ LYS 7 -12.980 4.277 11.654
296 3HZ LYS 7 3HZ LYS 7 -14.333 3.353 11.231
297 H ARG 8 H ARG 8 -11.666 0.979 5.082
298 HA ARG 8 HA ARG 8 -9.184 0.454 6.352
299 1HB ARG 8 1HB ARG 8 -9.618 -1.793 5.998
300 2HB ARG 8 2HB ARG 8 -11.232 -1.104 6.019
301 1HG ARG 8 1HG ARG 8 -11.628 -2.039 4.054
302 2HG ARG 8 2HG ARG 8 -10.365 -1.040 3.336
303 1HD ARG 8 1HD ARG 8 -9.204 -2.892 2.940
304 2HD ARG 8 2HD ARG 8 -9.031 -3.111 4.678
305 HE ARG 8 HE ARG 8 -10.815 -4.536 2.906
306 1HH1 ARG 8 1HH1 ARG 8 -10.075 -3.693 6.213
307 2HH1 ARG 8 2HH1 ARG 8 -10.924 -5.046 6.878
308 1HH2 ARG 8 1HH2 ARG 8 -11.931 -6.316 3.783
309 2HH2 ARG 8 2HH2 ARG 8 -11.977 -6.535 5.500
310 H VAL 9 H VAL 9 -10.066 1.250 3.108
311 HA VAL 9 HA VAL 9 -7.916 0.152 1.691
312 HB VAL 9 HB VAL 9 -9.338 2.754 1.102
313 1HG1 VAL 9 1HG1 VAL 9 -7.153 2.211 -0.108
314 2HG1 VAL 9 2HG1 VAL 9 -8.049 0.907 -0.887
315 3HG1 VAL 9 3HG1 VAL 9 -8.561 2.580 -1.104
316 1HG2 VAL 9 1HG2 VAL 9 -10.176 -0.048 0.887
317 2HG2 VAL 9 2HG2 VAL 9 -11.141 1.426 0.943
318 3HG2 VAL 9 3HG2 VAL 9 -10.417 0.906 -0.577
319 H GLN 10 H GLN 10 -8.249 3.276 3.340
320 HA GLN 10 HA GLN 10 -5.883 4.473 2.558
321 1HB GLN 10 1HB GLN 10 -6.077 5.881 4.482
322 2HB GLN 10 2HB GLN 10 -7.703 5.532 3.913
323 1HG GLN 10 1HG GLN 10 -8.194 4.965 5.996
324 2HG GLN 10 2HG GLN 10 -7.196 3.532 5.758
325 1HE2 GLN 10 2HE2 GLN 10 -7.615 4.759 8.238
326 2HE2 GLN 10 1HE2 GLN 10 -6.107 5.390 8.797
327 H ALA 11 H ALA 11 -6.368 1.811 4.715
328 HA ALA 11 HA ALA 11 -3.824 2.007 6.022
329 1HB ALA 11 1HB ALA 11 -5.853 0.910 6.996
330 2HB ALA 11 2HB ALA 11 -5.604 -0.415 5.859
331 3HB ALA 11 3HB ALA 11 -4.378 -0.054 7.074
332 H LEU 12 H LEU 12 -4.567 1.248 2.892
333 HA LEU 12 HA LEU 12 -2.340 -0.666 2.679
334 1HB LEU 12 1HB LEU 12 -4.223 -0.270 0.415
335 2HB LEU 12 2HB LEU 12 -3.362 -1.710 0.907
336 HG LEU 12 HG LEU 12 -5.568 -0.689 2.647
337 1HD1 LEU 12 1HD1 LEU 12 -6.316 -0.782 0.208
338 2HD1 LEU 12 2HD1 LEU 12 -6.108 -2.527 0.341
339 3HD1 LEU 12 3HD1 LEU 12 -7.257 -1.694 1.386
340 1HD2 LEU 12 1HD2 LEU 12 -4.092 -3.214 2.189
341 2HD2 LEU 12 2HD2 LEU 12 -4.669 -2.491 3.691
342 3HD2 LEU 12 3HD2 LEU 12 -5.794 -3.341 2.631
343 H LYS 13 H LYS 13 -3.768 2.257 1.312
344 HA LYS 13 HA LYS 13 -1.508 2.609 -0.481
345 1HB LYS 13 1HB LYS 13 -2.764 4.710 -1.148
346 2HB LYS 13 2HB LYS 13 -3.553 3.181 -1.496
347 1HG LYS 13 1HG LYS 13 -5.189 4.695 -0.667
348 2HG LYS 13 2HG LYS 13 -4.898 3.484 0.580
349 1HD LYS 13 1HD LYS 13 -4.038 4.991 2.016
350 2HD LYS 13 2HD LYS 13 -3.196 5.874 0.742
351 1HE LYS 13 1HE LYS 13 -6.050 6.164 0.467
352 2HE LYS 13 2HE LYS 13 -5.532 6.632 2.086
353 1HZ LYS 13 1HZ LYS 13 -3.972 7.629 -0.175
354 2HZ LYS 13 2HZ LYS 13 -5.498 8.312 0.078
355 3HZ LYS 13 3HZ LYS 13 -4.332 8.373 1.301
356 H ALA 14 H ALA 14 -2.595 3.770 2.603
357 HA ALA 14 HA ALA 14 -1.248 6.215 2.739
358 1HB ALA 14 1HB ALA 14 -1.875 4.226 4.914
359 2HB ALA 14 2HB ALA 14 -1.254 5.850 5.207
360 3HB ALA 14 3HB ALA 14 -2.827 5.632 4.439
361 H ARG 15 H ARG 15 -0.145 3.028 3.894
362 HA ARG 15 HA ARG 15 2.525 3.971 4.352
363 1HB ARG 15 1HB ARG 15 1.549 2.173 5.714
364 2HB ARG 15 2HB ARG 15 1.429 1.153 4.288
365 1HG ARG 15 1HG ARG 15 3.366 0.340 5.121
366 2HG ARG 15 2HG ARG 15 4.035 1.676 4.182
367 1HD ARG 15 1HD ARG 15 5.053 2.166 6.138
368 2HD ARG 15 2HD ARG 15 3.515 2.953 6.486
369 HE ARG 15 HE ARG 15 3.608 0.187 7.267
370 1HH1 ARG 15 1HH1 ARG 15 4.309 3.463 8.240
371 2HH1 ARG 15 2HH1 ARG 15 4.233 3.109 9.933
372 1HH2 ARG 15 1HH2 ARG 15 3.508 -0.282 9.495
373 2HH2 ARG 15 2HH2 ARG 15 3.779 0.983 10.646
374 H ASN 16 H ASN 16 1.009 1.783 1.993
375 HA ASN 16 HA ASN 16 3.215 1.075 0.505
376 1HB ASN 16 1HB ASN 16 1.036 0.087 0.113
377 2HB ASN 16 2HB ASN 16 0.397 1.626 -0.447
378 1HD2 ASN 16 2HD2 ASN 16 -0.044 1.316 -2.520
379 2HD2 ASN 16 1HD2 ASN 16 1.057 0.707 -3.703
380 H TYR 17 H TYR 17 1.231 3.997 0.208
381 HA TYR 17 HA TYR 17 2.346 5.067 -2.094
382 1HB TYR 17 1HB TYR 17 0.391 6.070 -1.094
383 2HB TYR 17 2HB TYR 17 1.288 6.471 0.367
384 HD1 TYR 17 HD1 TYR 17 1.966 6.984 -3.277
385 HD2 TYR 17 HD2 TYR 17 1.513 8.757 0.565
386 HE1 TYR 17 HE1 TYR 17 2.533 9.179 -4.229
387 HE2 TYR 17 HE2 TYR 17 2.076 10.957 -0.377
388 HH TYR 17 HH TYR 17 2.105 12.105 -2.485
389 H ALA 18 H ALA 18 3.508 5.174 1.228
390 HA ALA 18 HA ALA 18 5.664 6.970 0.690
391 1HB ALA 18 1HB ALA 18 4.710 5.393 2.996
392 2HB ALA 18 2HB ALA 18 6.433 5.770 2.971
393 3HB ALA 18 3HB ALA 18 5.245 7.072 2.910
394 H LEU 19 H LEU 19 5.396 3.447 1.060
395 HA LEU 19 HA LEU 19 8.136 2.888 0.775
396 1HB LEU 19 1HB LEU 19 6.171 0.950 -0.322
397 2HB LEU 19 2HB LEU 19 7.574 0.670 0.686
398 HG LEU 19 HG LEU 19 4.856 1.620 1.561
399 1HD1 LEU 19 1HD1 LEU 19 5.313 -0.831 1.179
400 2HD1 LEU 19 2HD1 LEU 19 6.464 -0.733 2.512
401 3HD1 LEU 19 3HD1 LEU 19 4.756 -0.391 2.794
402 1HD2 LEU 19 1HD2 LEU 19 7.494 1.740 2.958
403 2HD2 LEU 19 2HD2 LEU 19 6.190 2.927 2.921
404 3HD2 LEU 19 3HD2 LEU 19 6.018 1.458 3.880
405 H LYS 20 H LYS 20 5.522 2.643 -1.628
406 HA LYS 20 HA LYS 20 6.863 1.985 -3.886
407 1HB LYS 20 1HB LYS 20 4.357 2.827 -3.373
408 2HB LYS 20 2HB LYS 20 4.974 4.241 -4.215
409 1HG LYS 20 1HG LYS 20 5.419 3.002 -6.175
410 2HG LYS 20 2HG LYS 20 5.181 1.464 -5.342
411 1HD LYS 20 1HD LYS 20 2.851 1.802 -5.172
412 2HD LYS 20 2HD LYS 20 2.991 3.507 -5.604
413 1HE LYS 20 1HE LYS 20 4.123 2.188 -7.755
414 2HE LYS 20 2HE LYS 20 2.759 1.163 -7.306
415 1HZ LYS 20 1HZ LYS 20 2.590 4.082 -7.829
416 2HZ LYS 20 2HZ LYS 20 2.157 2.874 -8.930
417 3HZ LYS 20 3HZ LYS 20 1.294 3.051 -7.486
418 H GLN 21 H GLN 21 6.977 5.069 -2.254
419 HA GLN 21 HA GLN 21 8.411 6.335 -4.430
420 1HB GLN 21 1HB GLN 21 6.760 7.601 -3.105
421 2HB GLN 21 2HB GLN 21 7.758 7.380 -1.674
422 1HG GLN 21 1HG GLN 21 9.125 8.567 -3.987
423 2HG GLN 21 2HG GLN 21 7.842 9.546 -3.276
424 1HE2 GLN 21 2HE2 GLN 21 8.655 10.979 -1.939
425 2HE2 GLN 21 1HE2 GLN 21 9.945 10.720 -0.820
426 H LYS 22 H LYS 22 9.093 5.159 -1.163
427 HA LYS 22 HA LYS 22 11.878 5.959 -1.384
428 1HB LYS 22 1HB LYS 22 12.074 5.153 0.925
429 2HB LYS 22 2HB LYS 22 10.754 6.300 0.742
430 1HG LYS 22 1HG LYS 22 9.318 4.834 1.563
431 2HG LYS 22 2HG LYS 22 9.758 3.664 0.317
432 1HD LYS 22 1HD LYS 22 10.194 2.582 2.361
433 2HD LYS 22 2HD LYS 22 11.770 3.106 1.770
434 1HE LYS 22 1HE LYS 22 11.718 3.640 4.071
435 2HE LYS 22 2HE LYS 22 11.489 5.160 3.208
436 1HZ LYS 22 1HZ LYS 22 9.011 4.680 3.523
437 2HZ LYS 22 2HZ LYS 22 9.502 3.574 4.705
438 3HZ LYS 22 3HZ LYS 22 9.891 5.211 4.868
439 H VAL 23 H VAL 23 10.212 3.338 -2.525
440 HA VAL 23 HA VAL 23 11.545 1.078 -1.707
441 HB VAL 23 HB VAL 23 10.840 1.632 -4.593
442 1HG1 VAL 23 1HG1 VAL 23 12.258 -0.366 -4.107
443 2HG1 VAL 23 2HG1 VAL 23 10.950 -0.986 -3.100
444 3HG1 VAL 23 3HG1 VAL 23 10.695 -0.748 -4.829
445 1HG2 VAL 23 1HG2 VAL 23 9.153 0.970 -2.233
446 2HG2 VAL 23 2HG2 VAL 23 8.805 2.005 -3.617
447 3HG2 VAL 23 3HG2 VAL 23 8.744 0.252 -3.791
448 H GLN 24 H GLN 24 12.455 2.927 -4.622
449 HA GLN 24 HA GLN 24 14.959 1.670 -4.923
450 1HB GLN 24 1HB GLN 24 14.336 4.441 -5.919
451 2HB GLN 24 2HB GLN 24 15.391 3.235 -6.641
452 1HG GLN 24 1HG GLN 24 13.064 1.901 -6.706
453 2HG GLN 24 2HG GLN 24 12.470 3.556 -6.824
454 1HE2 GLN 24 2HE2 GLN 24 11.944 2.060 -8.909
455 2HE2 GLN 24 1HE2 GLN 24 12.974 2.418 -10.249
456 H ALA 25 H ALA 25 13.932 4.541 -3.188
457 HA ALA 25 HA ALA 25 16.428 5.692 -2.682
458 1HB ALA 25 1HB ALA 25 13.889 6.377 -2.093
459 2HB ALA 25 2HB ALA 25 14.447 5.848 -0.505
460 3HB ALA 25 3HB ALA 25 15.304 7.132 -1.358
461 H LEU 26 H LEU 26 14.803 2.974 -1.210
462 HA LEU 26 HA LEU 26 16.486 2.802 1.087
463 1HB LEU 26 1HB LEU 26 14.618 0.852 -0.245
464 2HB LEU 26 2HB LEU 26 15.542 0.439 1.187
465 HG LEU 26 HG LEU 26 13.539 2.690 1.021
466 1HD1 LEU 26 1HD1 LEU 26 13.305 -0.171 1.764
467 2HD1 LEU 26 2HD1 LEU 26 12.428 1.007 2.741
468 3HD1 LEU 26 3HD1 LEU 26 12.131 0.906 1.006
469 1HD2 LEU 26 1HD2 LEU 26 15.638 2.254 2.823
470 2HD2 LEU 26 2HD2 LEU 26 14.288 3.375 2.995
471 3HD2 LEU 26 3HD2 LEU 26 14.172 1.746 3.661
472 H ARG 27 H ARG 27 16.234 0.660 -1.757
473 HA ARG 27 HA ARG 27 18.579 -0.771 -1.280
474 1HB ARG 27 1HB ARG 27 18.496 -1.225 -3.792
475 2HB ARG 27 2HB ARG 27 17.091 -1.697 -2.846
476 1HG ARG 27 1HG ARG 27 16.547 0.906 -3.654
477 2HG ARG 27 2HG ARG 27 17.297 0.144 -5.057
478 1HD ARG 27 1HD ARG 27 15.624 -1.819 -4.319
479 2HD ARG 27 2HD ARG 27 14.717 -0.427 -3.733
480 HE ARG 27 HE ARG 27 14.163 0.011 -5.892
481 1HH1 ARG 27 1HH1 ARG 27 17.150 -1.793 -5.896
482 2HH1 ARG 27 2HH1 ARG 27 17.241 -1.880 -7.622
483 1HH2 ARG 27 1HH2 ARG 27 14.281 -0.102 -8.163
484 2HH2 ARG 27 2HH2 ARG 27 15.613 -0.920 -8.910
485 H HIS 28 H HIS 28 18.105 2.379 -2.665
486 HA HIS 28 HA HIS 28 20.494 2.669 -4.088
487 1HB HIS 28 1HB HIS 28 18.390 4.406 -3.086
488 2HB HIS 28 2HB HIS 28 19.967 5.183 -3.000
489 HD1 HIS 28 HD1 HIS 28 19.490 2.807 -5.810
490 HD2 HIS 28 HD2 HIS 28 19.086 6.878 -5.088
491 HE1 HIS 28 HE1 HIS 28 19.301 3.915 -8.076
492 H LYS 29 H LYS 29 19.818 4.038 -0.864
493 HA LYS 29 HA LYS 29 22.570 4.463 -0.291
494 1HB LYS 29 1HB LYS 29 20.309 5.493 0.717
495 2HB LYS 29 2HB LYS 29 20.623 4.273 1.943
496 1HG LYS 29 1HG LYS 29 22.564 5.286 2.650
497 2HG LYS 29 2HG LYS 29 22.811 6.120 1.114
498 1HD LYS 29 1HD LYS 29 20.355 6.837 2.574
499 2HD LYS 29 2HD LYS 29 21.867 7.310 3.350
500 1HE LYS 29 1HE LYS 29 21.140 7.940 0.492
501 2HE LYS 29 2HE LYS 29 20.917 9.049 1.845
502 1HZ LYS 29 1HZ LYS 29 23.578 7.921 1.546
503 2HZ LYS 29 2HZ LYS 29 23.099 9.003 0.337
504 3HZ LYS 29 3HZ LYS 29 23.107 9.494 1.956
505 H GLY 30 H GLY 30 23.464 3.585 1.886
506 1HA GLY 30 1HA GLY 30 23.177 0.652 1.782
507 2HA GLY 30 2HA GLY 30 24.626 1.504 2.295
508 1HN NH2 31 1HN NH2 31 24.972 1.269 4.379
509 2HN NH2 31 2HN NH2 31 23.770 1.238 5.619
Start of MODEL 27
1 1H ACE 0 1H ACE 0 -23.514 5.772 -3.441
2 2H ACE 0 2H ACE 0 -22.548 5.484 -1.993
3 3H ACE 0 3H ACE 0 -23.889 4.408 -2.386
4 H GLU 1 H GLU 1 -20.624 5.367 -3.227
5 HA GLU 1 HA GLU 1 -20.339 3.422 -5.327
6 1HB GLU 1 1HB GLU 1 -18.120 4.875 -3.892
7 2HB GLU 1 2HB GLU 1 -18.078 4.171 -5.503
8 1HG GLU 1 1HG GLU 1 -20.069 6.304 -4.966
9 2HG GLU 1 2HG GLU 1 -18.374 6.763 -5.111
10 H VAL 2 H VAL 2 -20.557 1.356 -4.660
11 HA VAL 2 HA VAL 2 -19.251 0.454 -2.220
12 HB VAL 2 HB VAL 2 -20.882 -1.165 -4.181
13 1HG1 VAL 2 1HG1 VAL 2 -19.441 -2.508 -2.748
14 2HG1 VAL 2 2HG1 VAL 2 -20.090 -1.702 -1.321
15 3HG1 VAL 2 3HG1 VAL 2 -21.135 -2.723 -2.309
16 1HG2 VAL 2 1HG2 VAL 2 -21.853 0.919 -2.738
17 2HG2 VAL 2 2HG2 VAL 2 -22.797 -0.494 -3.209
18 3HG2 VAL 2 3HG2 VAL 2 -22.075 -0.413 -1.603
19 H ALA 3 H ALA 3 -19.417 -0.889 -5.523
20 HA ALA 3 HA ALA 3 -17.217 -2.548 -5.362
21 1HB ALA 3 1HB ALA 3 -18.700 -1.270 -7.579
22 2HB ALA 3 2HB ALA 3 -17.114 -1.939 -7.960
23 3HB ALA 3 3HB ALA 3 -18.364 -2.973 -7.270
24 H GLN 4 H GLN 4 -17.333 0.900 -5.861
25 HA GLN 4 HA GLN 4 -14.728 1.276 -6.865
26 1HB GLN 4 1HB GLN 4 -16.861 2.902 -6.436
27 2HB GLN 4 2HB GLN 4 -15.808 3.393 -5.116
28 1HG GLN 4 1HG GLN 4 -15.420 4.816 -7.000
29 2HG GLN 4 2HG GLN 4 -14.004 3.795 -6.751
30 1HE2 GLN 4 2HE2 GLN 4 -16.751 4.449 -8.781
31 2HE2 GLN 4 1HE2 GLN 4 -16.222 3.525 -10.141
32 H LEU 5 H LEU 5 -15.894 0.544 -3.704
33 HA LEU 5 HA LEU 5 -13.354 1.323 -2.471
34 1HB LEU 5 1HB LEU 5 -15.769 0.204 -1.068
35 2HB LEU 5 2HB LEU 5 -14.429 1.089 -0.365
36 HG LEU 5 HG LEU 5 -16.213 2.414 -2.375
37 1HD1 LEU 5 1HD1 LEU 5 -16.787 1.892 0.521
38 2HD1 LEU 5 2HD1 LEU 5 -17.444 3.300 -0.314
39 3HD1 LEU 5 3HD1 LEU 5 -17.843 1.676 -0.875
40 1HD2 LEU 5 1HD2 LEU 5 -14.084 3.468 -1.662
41 2HD2 LEU 5 2HD2 LEU 5 -15.510 4.421 -1.250
42 3HD2 LEU 5 3HD2 LEU 5 -14.687 3.483 -0.005
43 H GLU 6 H GLU 6 -15.446 -1.491 -2.955
44 HA GLU 6 HA GLU 6 -13.973 -3.374 -1.528
45 1HB GLU 6 1HB GLU 6 -15.447 -3.948 -4.096
46 2HB GLU 6 2HB GLU 6 -15.149 -5.051 -2.760
47 1HG GLU 6 1HG GLU 6 -16.555 -3.496 -1.342
48 2HG GLU 6 2HG GLU 6 -17.023 -2.710 -2.849
49 H LYS 7 H LYS 7 -13.685 -2.390 -4.927
50 HA LYS 7 HA LYS 7 -11.539 -4.195 -5.478
51 1HB LYS 7 1HB LYS 7 -12.195 -1.720 -7.064
52 2HB LYS 7 2HB LYS 7 -11.455 -3.210 -7.632
53 1HG LYS 7 1HG LYS 7 -14.007 -3.821 -6.523
54 2HG LYS 7 2HG LYS 7 -14.179 -2.483 -7.660
55 1HD LYS 7 1HD LYS 7 -12.832 -5.121 -8.241
56 2HD LYS 7 2HD LYS 7 -14.455 -4.660 -8.759
57 1HE LYS 7 1HE LYS 7 -11.843 -3.403 -9.580
58 2HE LYS 7 2HE LYS 7 -12.953 -4.323 -10.595
59 1HZ LYS 7 1HZ LYS 7 -14.570 -2.404 -9.744
60 2HZ LYS 7 2HZ LYS 7 -13.107 -1.557 -9.711
61 3HZ LYS 7 3HZ LYS 7 -13.642 -2.267 -11.151
62 H GLU 8 H GLU 8 -11.781 -0.897 -4.359
63 HA GLU 8 HA GLU 8 -9.182 -0.029 -4.902
64 1HB GLU 8 1HB GLU 8 -11.196 1.298 -4.036
65 2HB GLU 8 2HB GLU 8 -10.693 0.775 -2.434
66 1HG GLU 8 1HG GLU 8 -8.514 1.827 -2.781
67 2HG GLU 8 2HG GLU 8 -9.029 2.354 -4.382
68 H VAL 9 H VAL 9 -10.375 -2.244 -2.531
69 HA VAL 9 HA VAL 9 -8.093 -2.060 -0.789
70 HB VAL 9 HB VAL 9 -10.302 -4.118 -0.952
71 1HG1 VAL 9 1HG1 VAL 9 -8.285 -5.110 0.003
72 2HG1 VAL 9 2HG1 VAL 9 -8.171 -3.782 1.158
73 3HG1 VAL 9 3HG1 VAL 9 -9.531 -4.902 1.232
74 1HG2 VAL 9 1HG2 VAL 9 -9.823 -1.770 0.873
75 2HG2 VAL 9 2HG2 VAL 9 -11.147 -1.986 -0.273
76 3HG2 VAL 9 3HG2 VAL 9 -11.043 -3.012 1.159
77 H ALA 10 H ALA 10 -9.332 -4.663 -2.904
78 HA ALA 10 HA ALA 10 -7.139 -6.347 -2.769
79 1HB ALA 10 1HB ALA 10 -9.468 -6.610 -3.937
80 2HB ALA 10 2HB ALA 10 -8.588 -6.054 -5.361
81 3HB ALA 10 3HB ALA 10 -8.069 -7.514 -4.520
82 H GLN 11 H GLN 11 -7.517 -3.352 -4.466
83 HA GLN 11 HA GLN 11 -5.431 -3.682 -6.357
84 1HB GLN 11 1HB GLN 11 -7.190 -1.984 -6.604
85 2HB GLN 11 2HB GLN 11 -6.594 -1.152 -5.176
86 1HG GLN 11 1HG GLN 11 -5.594 0.102 -6.776
87 2HG GLN 11 2HG GLN 11 -4.348 -1.127 -6.564
88 1HE2 GLN 11 2HE2 GLN 11 -3.586 -1.951 -8.365
89 2HE2 GLN 11 1HE2 GLN 11 -4.423 -2.070 -9.871
90 H LEU 12 H LEU 12 -5.563 -2.330 -3.088
91 HA LEU 12 HA LEU 12 -2.706 -1.755 -3.159
92 1HB LEU 12 1HB LEU 12 -4.625 -1.366 -0.868
93 2HB LEU 12 2HB LEU 12 -3.025 -0.670 -1.040
94 HG LEU 12 HG LEU 12 -5.250 -0.037 -2.963
95 1HD1 LEU 12 1HD1 LEU 12 -4.556 1.316 -0.367
96 2HD1 LEU 12 2HD1 LEU 12 -5.523 2.063 -1.638
97 3HD1 LEU 12 3HD1 LEU 12 -6.101 0.606 -0.831
98 1HD2 LEU 12 1HD2 LEU 12 -2.960 0.456 -3.682
99 2HD2 LEU 12 2HD2 LEU 12 -3.894 1.930 -3.427
100 3HD2 LEU 12 3HD2 LEU 12 -2.713 1.415 -2.224
101 H GLU 13 H GLU 13 -4.981 -3.920 -1.549
102 HA GLU 13 HA GLU 13 -3.307 -5.044 0.353
103 1HB GLU 13 1HB GLU 13 -5.771 -5.864 -1.043
104 2HB GLU 13 2HB GLU 13 -4.819 -7.186 -0.381
105 1HG GLU 13 1HG GLU 13 -4.874 -6.115 1.820
106 2HG GLU 13 2HG GLU 13 -5.854 -4.812 1.151
107 H ALA 14 H ALA 14 -3.293 -5.434 -3.084
108 HA ALA 14 HA ALA 14 -1.621 -7.812 -2.981
109 1HB ALA 14 1HB ALA 14 -2.777 -6.223 -5.259
110 2HB ALA 14 2HB ALA 14 -1.664 -7.573 -5.491
111 3HB ALA 14 3HB ALA 14 -3.227 -7.842 -4.719
112 H GLU 15 H GLU 15 -1.365 -4.380 -3.728
113 HA GLU 15 HA GLU 15 1.414 -4.607 -4.506
114 1HB GLU 15 1HB GLU 15 -0.144 -2.970 -5.565
115 2HB GLU 15 2HB GLU 15 -0.228 -2.116 -4.031
116 1HG GLU 15 1HG GLU 15 1.341 -0.898 -5.185
117 2HG GLU 15 2HG GLU 15 2.346 -1.992 -4.235
118 H ASN 16 H ASN 16 -0.371 -2.935 -1.910
119 HA ASN 16 HA ASN 16 1.722 -1.950 -0.442
120 1HB ASN 16 1HB ASN 16 -0.592 -1.460 0.110
121 2HB ASN 16 2HB ASN 16 -0.872 -3.135 0.573
122 1HD2 ASN 16 2HD2 ASN 16 -1.588 -2.256 2.592
123 2HD2 ASN 16 1HD2 ASN 16 -0.435 -1.818 3.802
124 H TYR 17 H TYR 17 0.576 -5.257 -0.605
125 HA TYR 17 HA TYR 17 2.223 -6.149 1.589
126 1HB TYR 17 1HB TYR 17 0.130 -7.293 1.203
127 2HB TYR 17 2HB TYR 17 0.585 -7.656 -0.459
128 HD1 TYR 17 HD1 TYR 17 2.410 -9.304 -0.898
129 HD2 TYR 17 HD2 TYR 17 0.826 -8.681 3.001
130 HE1 TYR 17 HE1 TYR 17 3.375 -11.445 -0.171
131 HE2 TYR 17 HE2 TYR 17 1.788 -10.820 3.740
132 HH TYR 17 HH TYR 17 4.048 -12.571 1.847
133 H GLN 18 H GLN 18 2.289 -6.379 -1.946
134 HA GLN 18 HA GLN 18 4.514 -8.038 -2.208
135 1HB GLN 18 1HB GLN 18 2.878 -6.435 -3.917
136 2HB GLN 18 2HB GLN 18 4.563 -6.145 -4.328
137 1HG GLN 18 1HG GLN 18 4.223 -8.936 -3.989
138 2HG GLN 18 2HG GLN 18 2.915 -8.348 -5.013
139 1HE2 GLN 18 2HE2 GLN 18 3.410 -8.679 -7.053
140 2HE2 GLN 18 1HE2 GLN 18 4.946 -8.394 -7.790
141 H LEU 19 H LEU 19 4.303 -4.640 -1.461
142 HA LEU 19 HA LEU 19 7.148 -4.222 -1.888
143 1HB LEU 19 1HB LEU 19 5.066 -2.343 -0.783
144 2HB LEU 19 2HB LEU 19 6.700 -1.912 -1.246
145 HG LEU 19 HG LEU 19 4.737 -3.043 -3.226
146 1HD1 LEU 19 1HD1 LEU 19 4.886 -0.338 -2.070
147 2HD1 LEU 19 2HD1 LEU 19 4.795 -0.422 -3.829
148 3HD1 LEU 19 3HD1 LEU 19 3.540 -1.174 -2.845
149 1HD2 LEU 19 1HD2 LEU 19 7.400 -2.727 -3.438
150 2HD2 LEU 19 2HD2 LEU 19 6.288 -2.589 -4.800
151 3HD2 LEU 19 3HD2 LEU 19 6.858 -1.138 -3.976
152 H GLU 20 H GLU 20 4.843 -4.238 0.815
153 HA GLU 20 HA GLU 20 6.466 -3.535 2.906
154 1HB GLU 20 1HB GLU 20 3.957 -4.259 2.838
155 2HB GLU 20 2HB GLU 20 4.592 -5.851 3.232
156 1HG GLU 20 1HG GLU 20 5.861 -4.229 5.043
157 2HG GLU 20 2HG GLU 20 4.264 -3.495 4.908
158 H GLN 21 H GLN 21 6.507 -6.503 1.088
159 HA GLN 21 HA GLN 21 8.283 -7.804 2.994
160 1HB GLN 21 1HB GLN 21 6.376 -8.909 1.577
161 2HB GLN 21 2HB GLN 21 7.597 -8.943 0.312
162 1HG GLN 21 1HG GLN 21 8.222 -10.036 3.016
163 2HG GLN 21 2HG GLN 21 7.284 -10.990 1.868
164 1HE2 GLN 21 2HE2 GLN 21 8.315 -10.926 -0.419
165 2HE2 GLN 21 1HE2 GLN 21 10.010 -11.257 -0.463
166 H GLU 22 H GLU 22 8.388 -6.183 -0.096
167 HA GLU 22 HA GLU 22 11.102 -7.014 -0.653
168 1HB GLU 22 1HB GLU 22 9.488 -6.635 -2.480
169 2HB GLU 22 2HB GLU 22 9.384 -4.940 -2.026
170 1HG GLU 22 1HG GLU 22 11.346 -4.418 -2.992
171 2HG GLU 22 2HG GLU 22 12.094 -5.952 -2.555
172 H VAL 23 H VAL 23 9.518 -4.425 0.978
173 HA VAL 23 HA VAL 23 11.802 -2.644 0.848
174 HB VAL 23 HB VAL 23 9.363 -2.313 2.588
175 1HG1 VAL 23 1HG1 VAL 23 11.677 -0.874 2.489
176 2HG1 VAL 23 2HG1 VAL 23 10.645 0.021 1.374
177 3HG1 VAL 23 3HG1 VAL 23 10.120 -0.252 3.035
178 1HG2 VAL 23 1HG2 VAL 23 9.450 -2.387 -0.258
179 2HG2 VAL 23 2HG2 VAL 23 8.085 -2.015 0.795
180 3HG2 VAL 23 3HG2 VAL 23 9.154 -0.724 0.249
181 H ALA 24 H ALA 24 10.368 -4.940 3.052
182 HA ALA 24 HA ALA 24 11.620 -4.174 5.433
183 1HB ALA 24 1HB ALA 24 9.827 -6.074 4.780
184 2HB ALA 24 2HB ALA 24 11.268 -7.068 4.999
185 3HB ALA 24 3HB ALA 24 10.700 -6.037 6.312
186 H GLN 25 H GLN 25 12.825 -5.933 2.672
187 HA GLN 25 HA GLN 25 15.239 -6.748 4.074
188 1HB GLN 25 1HB GLN 25 14.092 -7.276 1.359
189 2HB GLN 25 2HB GLN 25 15.804 -7.556 1.647
190 1HG GLN 25 1HG GLN 25 13.835 -8.727 3.541
191 2HG GLN 25 2HG GLN 25 14.029 -9.465 1.951
192 1HE2 GLN 25 2HE2 GLN 25 15.419 -8.947 5.051
193 2HE2 GLN 25 1HE2 GLN 25 16.813 -9.945 4.837
194 H LEU 26 H LEU 26 14.238 -4.485 1.556
195 HA LEU 26 HA LEU 26 16.748 -3.626 0.707
196 1HB LEU 26 1HB LEU 26 14.091 -2.226 0.861
197 2HB LEU 26 2HB LEU 26 15.512 -1.446 0.194
198 HG LEU 26 HG LEU 26 14.363 -4.030 -0.856
199 1HD1 LEU 26 1HD1 LEU 26 13.090 -1.672 -1.037
200 2HD1 LEU 26 2HD1 LEU 26 14.162 -1.547 -2.431
201 3HD1 LEU 26 3HD1 LEU 26 13.045 -2.904 -2.299
202 1HD2 LEU 26 1HD2 LEU 26 16.486 -2.153 -1.878
203 2HD2 LEU 26 2HD2 LEU 26 16.694 -3.826 -1.362
204 3HD2 LEU 26 3HD2 LEU 26 15.778 -3.462 -2.824
205 H GLU 27 H GLU 27 14.631 -1.804 2.928
206 HA GLU 27 HA GLU 27 16.952 -0.412 3.986
207 1HB GLU 27 1HB GLU 27 15.309 0.946 5.209
208 2HB GLU 27 2HB GLU 27 14.950 0.885 3.490
209 1HG GLU 27 1HG GLU 27 13.039 -0.307 3.786
210 2HG GLU 27 2HG GLU 27 13.630 -1.109 5.238
211 H HIS 28 H HIS 28 17.465 -2.834 4.707
212 HA HIS 28 HA HIS 28 16.216 -3.610 7.183
213 1HB HIS 28 1HB HIS 28 17.214 -5.187 5.434
214 2HB HIS 28 2HB HIS 28 18.788 -4.719 6.069
215 HD1 HIS 28 HD1 HIS 28 18.081 -7.633 6.327
216 HD2 HIS 28 HD2 HIS 28 17.053 -4.808 9.194
217 HE1 HIS 28 HE1 HIS 28 17.728 -8.906 8.483
218 H GLU 29 H GLU 29 19.630 -2.927 6.397
219 HA GLU 29 HA GLU 29 20.184 -2.284 9.154
220 1HB GLU 29 1HB GLU 29 21.771 -2.650 6.674
221 2HB GLU 29 2HB GLU 29 22.459 -1.596 7.901
222 1HG GLU 29 1HG GLU 29 21.491 -4.367 8.521
223 2HG GLU 29 2HG GLU 29 23.131 -4.034 7.966
224 H GLY 30 H GLY 30 19.615 -0.563 6.167
225 1HA GLY 30 1HA GLY 30 20.653 1.945 6.846
226 2HA GLY 30 2HA GLY 30 19.332 1.671 5.721
227 1HN NH2 31 1HN NH2 31 18.701 3.795 6.683
228 2HN NH2 31 2HN NH2 31 17.713 3.766 8.099
229 1H ACE 0 1H ACE 0 -17.974 -6.087 4.289
230 2H ACE 0 2H ACE 0 -17.939 -4.812 5.506
231 3H ACE 0 3H ACE 0 -16.602 -4.983 4.369
232 H GLU 1 H GLU 1 -19.358 -3.260 5.032
233 HA GLU 1 HA GLU 1 -20.168 -2.772 2.297
234 1HB GLU 1 1HB GLU 1 -21.083 -1.244 4.728
235 2HB GLU 1 2HB GLU 1 -21.922 -1.450 3.198
236 1HG GLU 1 1HG GLU 1 -22.899 -3.321 3.876
237 2HG GLU 1 2HG GLU 1 -21.380 -3.992 4.467
238 H VAL 2 H VAL 2 -20.772 -0.046 2.425
239 HA VAL 2 HA VAL 2 -18.628 1.181 1.324
240 HB VAL 2 HB VAL 2 -19.664 3.366 2.447
241 1HG1 VAL 2 1HG1 VAL 2 -20.826 1.678 0.248
242 2HG1 VAL 2 2HG1 VAL 2 -21.388 3.311 0.603
243 3HG1 VAL 2 3HG1 VAL 2 -19.717 3.041 0.109
244 1HG2 VAL 2 1HG2 VAL 2 -21.138 1.529 3.778
245 2HG2 VAL 2 2HG2 VAL 2 -21.684 3.169 3.431
246 3HG2 VAL 2 3HG2 VAL 2 -22.180 1.835 2.389
247 H GLN 3 H GLN 3 -19.482 2.532 4.446
248 HA GLN 3 HA GLN 3 -16.942 3.429 5.069
249 1HB GLN 3 1HB GLN 3 -19.029 2.634 7.100
250 2HB GLN 3 2HB GLN 3 -17.751 3.827 7.295
251 1HG GLN 3 1HG GLN 3 -18.866 5.076 5.370
252 2HG GLN 3 2HG GLN 3 -20.241 4.007 5.640
253 1HE2 GLN 3 2HE2 GLN 3 -21.636 5.564 6.342
254 2HE2 GLN 3 1HE2 GLN 3 -21.444 6.416 7.832
255 H ALA 4 H ALA 4 -18.323 0.269 5.487
256 HA ALA 4 HA ALA 4 -16.498 -0.686 7.441
257 1HB ALA 4 1HB ALA 4 -18.787 -1.656 6.293
258 2HB ALA 4 2HB ALA 4 -17.544 -2.715 5.625
259 3HB ALA 4 3HB ALA 4 -17.719 -2.555 7.372
260 H LEU 5 H LEU 5 -16.336 -0.346 3.985
261 HA LEU 5 HA LEU 5 -13.749 -1.765 3.965
262 1HB LEU 5 1HB LEU 5 -15.911 -1.421 1.956
263 2HB LEU 5 2HB LEU 5 -14.267 -1.461 1.359
264 HG LEU 5 HG LEU 5 -15.395 -3.631 3.116
265 1HD1 LEU 5 1HD1 LEU 5 -16.639 -3.196 0.893
266 2HD1 LEU 5 2HD1 LEU 5 -15.188 -3.861 0.141
267 3HD1 LEU 5 3HD1 LEU 5 -16.120 -4.837 1.276
268 1HD2 LEU 5 1HD2 LEU 5 -12.817 -3.058 2.100
269 2HD2 LEU 5 2HD2 LEU 5 -13.348 -4.475 3.004
270 3HD2 LEU 5 3HD2 LEU 5 -13.421 -4.475 1.243
271 H LYS 6 H LYS 6 -15.491 1.029 2.806
272 HA LYS 6 HA LYS 6 -13.634 2.488 1.469
273 1HB LYS 6 1HB LYS 6 -15.856 3.281 1.600
274 2HB LYS 6 2HB LYS 6 -15.835 3.268 3.354
275 1HG LYS 6 1HG LYS 6 -15.005 5.341 3.473
276 2HG LYS 6 2HG LYS 6 -13.841 5.051 2.179
277 1HD LYS 6 1HD LYS 6 -15.309 6.727 1.382
278 2HD LYS 6 2HD LYS 6 -15.782 5.234 0.568
279 1HE LYS 6 1HE LYS 6 -17.855 5.749 1.239
280 2HE LYS 6 2HE LYS 6 -17.327 5.171 2.819
281 1HZ LYS 6 1HZ LYS 6 -16.719 7.946 2.205
282 2HZ LYS 6 2HZ LYS 6 -18.357 7.582 2.416
283 3HZ LYS 6 3HZ LYS 6 -17.251 7.246 3.651
284 H LYS 7 H LYS 7 -13.845 1.995 4.941
285 HA LYS 7 HA LYS 7 -11.766 3.960 5.461
286 1HB LYS 7 1HB LYS 7 -13.734 2.470 7.069
287 2HB LYS 7 2HB LYS 7 -12.185 2.737 7.856
288 1HG LYS 7 1HG LYS 7 -12.958 4.728 8.449
289 2HG LYS 7 2HG LYS 7 -12.801 5.199 6.755
290 1HD LYS 7 1HD LYS 7 -15.252 3.712 7.379
291 2HD LYS 7 2HD LYS 7 -15.119 5.272 8.194
292 1HE LYS 7 1HE LYS 7 -14.376 6.025 5.748
293 2HE LYS 7 2HE LYS 7 -15.380 4.644 5.307
294 1HZ LYS 7 1HZ LYS 7 -16.962 5.873 7.057
295 2HZ LYS 7 2HZ LYS 7 -16.144 7.212 6.424
296 3HZ LYS 7 3HZ LYS 7 -17.003 6.180 5.394
297 H ARG 8 H ARG 8 -11.986 0.584 4.869
298 HA ARG 8 HA ARG 8 -9.591 -0.092 6.317
299 1HB ARG 8 1HB ARG 8 -9.990 -2.298 5.731
300 2HB ARG 8 2HB ARG 8 -11.608 -1.623 5.799
301 1HG ARG 8 1HG ARG 8 -11.978 -2.350 3.746
302 2HG ARG 8 2HG ARG 8 -10.701 -1.293 3.146
303 1HD ARG 8 1HD ARG 8 -9.534 -3.102 2.594
304 2HD ARG 8 2HD ARG 8 -9.406 -3.499 4.305
305 HE ARG 8 HE ARG 8 -11.150 -4.722 2.354
306 1HH1 ARG 8 1HH1 ARG 8 -10.511 -4.209 5.749
307 2HH1 ARG 8 2HH1 ARG 8 -11.405 -5.602 6.254
308 1HH2 ARG 8 1HH2 ARG 8 -12.326 -6.554 3.020
309 2HH2 ARG 8 2HH2 ARG 8 -12.435 -6.934 4.706
310 H VAL 9 H VAL 9 -10.374 0.968 3.110
311 HA VAL 9 HA VAL 9 -8.087 0.009 1.764
312 HB VAL 9 HB VAL 9 -9.705 2.485 1.144
313 1HG1 VAL 9 1HG1 VAL 9 -7.311 1.887 0.072
314 2HG1 VAL 9 2HG1 VAL 9 -8.362 0.957 -0.995
315 3HG1 VAL 9 3HG1 VAL 9 -8.600 2.695 -0.817
316 1HG2 VAL 9 1HG2 VAL 9 -10.826 0.129 1.287
317 2HG2 VAL 9 2HG2 VAL 9 -11.174 1.194 -0.074
318 3HG2 VAL 9 3HG2 VAL 9 -10.023 -0.129 -0.261
319 H GLN 10 H GLN 10 -8.718 2.974 3.573
320 HA GLN 10 HA GLN 10 -6.390 4.369 2.907
321 1HB GLN 10 1HB GLN 10 -6.780 5.674 4.932
322 2HB GLN 10 2HB GLN 10 -8.287 5.398 4.068
323 1HG GLN 10 1HG GLN 10 -9.192 4.515 5.877
324 2HG GLN 10 2HG GLN 10 -7.925 3.291 5.942
325 1HE2 GLN 10 2HE2 GLN 10 -6.756 3.262 7.715
326 2HE2 GLN 10 1HE2 GLN 10 -6.511 4.584 8.800
327 H ALA 11 H ALA 11 -6.798 1.567 4.839
328 HA ALA 11 HA ALA 11 -4.331 1.965 6.321
329 1HB ALA 11 1HB ALA 11 -6.575 0.033 6.419
330 2HB ALA 11 2HB ALA 11 -4.999 -0.521 6.987
331 3HB ALA 11 3HB ALA 11 -5.756 0.893 7.724
332 H LEU 12 H LEU 12 -4.688 1.354 3.238
333 HA LEU 12 HA LEU 12 -2.600 -0.726 3.185
334 1HB LEU 12 1HB LEU 12 -4.291 -0.288 0.781
335 2HB LEU 12 2HB LEU 12 -3.518 -1.752 1.351
336 HG LEU 12 HG LEU 12 -5.856 -0.618 2.846
337 1HD1 LEU 12 1HD1 LEU 12 -5.998 -2.396 0.417
338 2HD1 LEU 12 2HD1 LEU 12 -7.343 -2.013 1.490
339 3HD1 LEU 12 3HD1 LEU 12 -6.588 -0.739 0.534
340 1HD2 LEU 12 1HD2 LEU 12 -4.443 -2.469 3.768
341 2HD2 LEU 12 2HD2 LEU 12 -6.149 -2.868 3.573
342 3HD2 LEU 12 3HD2 LEU 12 -4.966 -3.461 2.407
343 H LYS 13 H LYS 13 -3.960 2.003 1.367
344 HA LYS 13 HA LYS 13 -1.545 2.401 -0.136
345 1HB LYS 13 1HB LYS 13 -2.717 4.404 -1.015
346 2HB LYS 13 2HB LYS 13 -3.643 2.921 -1.190
347 1HG LYS 13 1HG LYS 13 -5.310 4.186 -0.376
348 2HG LYS 13 2HG LYS 13 -4.582 3.784 1.182
349 1HD LYS 13 1HD LYS 13 -4.003 5.903 1.553
350 2HD LYS 13 2HD LYS 13 -3.283 6.052 -0.051
351 1HE LYS 13 1HE LYS 13 -5.789 6.169 -0.819
352 2HE LYS 13 2HE LYS 13 -6.061 6.660 0.853
353 1HZ LYS 13 1HZ LYS 13 -3.913 8.010 -0.585
354 2HZ LYS 13 2HZ LYS 13 -5.493 8.381 -1.059
355 3HZ LYS 13 3HZ LYS 13 -5.013 8.623 0.545
356 H ALA 14 H ALA 14 -2.793 3.533 2.873
357 HA ALA 14 HA ALA 14 -1.546 6.013 3.110
358 1HB ALA 14 1HB ALA 14 -2.331 3.943 5.133
359 2HB ALA 14 2HB ALA 14 -1.552 5.451 5.610
360 3HB ALA 14 3HB ALA 14 -3.102 5.487 4.769
361 H ARG 15 H ARG 15 -0.334 2.832 4.175
362 HA ARG 15 HA ARG 15 2.294 3.953 4.676
363 1HB ARG 15 1HB ARG 15 1.391 2.294 6.229
364 2HB ARG 15 2HB ARG 15 1.261 1.122 4.924
365 1HG ARG 15 1HG ARG 15 3.199 0.615 6.231
366 2HG ARG 15 2HG ARG 15 3.722 1.217 4.657
367 1HD ARG 15 1HD ARG 15 4.295 3.334 5.560
368 2HD ARG 15 2HD ARG 15 3.486 2.978 7.085
369 HE ARG 15 HE ARG 15 5.399 1.059 6.904
370 1HH1 ARG 15 1HH1 ARG 15 5.446 4.545 6.727
371 2HH1 ARG 15 2HH1 ARG 15 7.048 4.680 7.370
372 1HH2 ARG 15 1HH2 ARG 15 7.504 1.236 7.752
373 2HH2 ARG 15 2HH2 ARG 15 8.217 2.802 7.953
374 H ASN 16 H ASN 16 0.697 1.909 2.318
375 HA ASN 16 HA ASN 16 2.977 0.928 1.003
376 1HB ASN 16 1HB ASN 16 0.832 -0.081 0.604
377 2HB ASN 16 2HB ASN 16 0.169 1.431 0.005
378 1HD2 ASN 16 2HD2 ASN 16 -0.404 -0.050 -1.792
379 2HD2 ASN 16 1HD2 ASN 16 0.747 -0.252 -3.066
380 H TYR 17 H TYR 17 1.021 3.833 0.427
381 HA TYR 17 HA TYR 17 2.240 4.731 -1.896
382 1HB TYR 17 1HB TYR 17 0.225 5.771 -1.012
383 2HB TYR 17 2HB TYR 17 1.109 6.351 0.395
384 HD1 TYR 17 HD1 TYR 17 0.643 6.767 -3.238
385 HD2 TYR 17 HD2 TYR 17 2.452 8.327 0.282
386 HE1 TYR 17 HE1 TYR 17 1.176 8.845 -4.439
387 HE2 TYR 17 HE2 TYR 17 2.988 10.411 -0.908
388 HH TYR 17 HH TYR 17 2.866 10.709 -4.236
389 H ALA 18 H ALA 18 3.382 4.830 1.396
390 HA ALA 18 HA ALA 18 5.458 6.744 0.910
391 1HB ALA 18 1HB ALA 18 5.019 4.814 3.185
392 2HB ALA 18 2HB ALA 18 6.288 6.039 3.143
393 3HB ALA 18 3HB ALA 18 4.593 6.524 3.141
394 H LEU 19 H LEU 19 5.415 3.204 1.359
395 HA LEU 19 HA LEU 19 8.170 2.835 0.923
396 1HB LEU 19 1HB LEU 19 6.307 0.707 0.021
397 2HB LEU 19 2HB LEU 19 7.779 0.581 0.957
398 HG LEU 19 HG LEU 19 5.058 1.395 1.965
399 1HD1 LEU 19 1HD1 LEU 19 5.424 -1.010 1.630
400 2HD1 LEU 19 2HD1 LEU 19 6.843 -0.925 2.674
401 3HD1 LEU 19 3HD1 LEU 19 5.242 -0.591 3.334
402 1HD2 LEU 19 1HD2 LEU 19 7.768 1.602 3.217
403 2HD2 LEU 19 2HD2 LEU 19 6.450 2.774 3.209
404 3HD2 LEU 19 3HD2 LEU 19 6.336 1.326 4.210
405 H LYS 20 H LYS 20 5.425 2.347 -1.287
406 HA LYS 20 HA LYS 20 6.648 1.667 -3.606
407 1HB LYS 20 1HB LYS 20 4.137 2.428 -2.944
408 2HB LYS 20 2HB LYS 20 4.631 3.797 -3.929
409 1HG LYS 20 1HG LYS 20 4.458 2.634 -5.820
410 2HG LYS 20 2HG LYS 20 5.316 1.249 -5.144
411 1HD LYS 20 1HD LYS 20 3.346 0.193 -5.239
412 2HD LYS 20 2HD LYS 20 2.903 1.164 -3.835
413 1HE LYS 20 1HE LYS 20 2.470 2.047 -6.681
414 2HE LYS 20 2HE LYS 20 1.254 1.198 -5.728
415 1HZ LYS 20 1HZ LYS 20 2.485 3.629 -4.631
416 2HZ LYS 20 2HZ LYS 20 1.288 3.783 -5.816
417 3HZ LYS 20 3HZ LYS 20 0.942 2.991 -4.361
418 H GLN 21 H GLN 21 6.732 4.793 -2.074
419 HA GLN 21 HA GLN 21 7.881 6.104 -4.379
420 1HB GLN 21 1HB GLN 21 6.364 7.335 -2.922
421 2HB GLN 21 2HB GLN 21 7.437 7.072 -1.555
422 1HG GLN 21 1HG GLN 21 8.282 9.067 -2.048
423 2HG GLN 21 2HG GLN 21 9.095 8.252 -3.383
424 1HE2 GLN 21 2HE2 GLN 21 8.783 9.069 -5.323
425 2HE2 GLN 21 1HE2 GLN 21 7.464 10.076 -5.803
426 H LYS 22 H LYS 22 8.982 4.945 -1.220
427 HA LYS 22 HA LYS 22 11.685 5.868 -1.748
428 1HB LYS 22 1HB LYS 22 12.171 5.025 0.519
429 2HB LYS 22 2HB LYS 22 10.833 6.167 0.487
430 1HG LYS 22 1HG LYS 22 9.545 4.693 1.510
431 2HG LYS 22 2HG LYS 22 9.754 3.573 0.161
432 1HD LYS 22 1HD LYS 22 10.584 2.280 1.849
433 2HD LYS 22 2HD LYS 22 12.062 3.115 1.371
434 1HE LYS 22 1HE LYS 22 12.125 3.414 3.643
435 2HE LYS 22 2HE LYS 22 11.270 4.875 3.147
436 1HZ LYS 22 1HZ LYS 22 9.196 3.354 3.501
437 2HZ LYS 22 2HZ LYS 22 10.242 2.492 4.514
438 3HZ LYS 22 3HZ LYS 22 9.928 4.126 4.816
439 H VAL 23 H VAL 23 9.950 3.052 -2.458
440 HA VAL 23 HA VAL 23 11.537 0.920 -1.892
441 HB VAL 23 HB VAL 23 10.433 1.302 -4.673
442 1HG1 VAL 23 1HG1 VAL 23 11.913 -0.723 -3.758
443 2HG1 VAL 23 2HG1 VAL 23 10.328 -1.273 -3.214
444 3HG1 VAL 23 3HG1 VAL 23 10.609 -0.948 -4.925
445 1HG2 VAL 23 1HG2 VAL 23 9.029 0.802 -2.090
446 2HG2 VAL 23 2HG2 VAL 23 8.553 1.802 -3.460
447 3HG2 VAL 23 3HG2 VAL 23 8.426 0.048 -3.566
448 H GLN 24 H GLN 24 11.952 2.981 -4.775
449 HA GLN 24 HA GLN 24 14.370 1.753 -5.595
450 1HB GLN 24 1HB GLN 24 14.600 3.846 -7.012
451 2HB GLN 24 2HB GLN 24 13.143 2.896 -7.262
452 1HG GLN 24 1HG GLN 24 11.781 4.477 -6.319
453 2HG GLN 24 2HG GLN 24 13.069 5.149 -5.321
454 1HE2 GLN 24 2HE2 GLN 24 14.641 6.498 -6.328
455 2HE2 GLN 24 1HE2 GLN 24 14.253 7.370 -7.767
456 H ALA 25 H ALA 25 13.621 4.483 -3.527
457 HA ALA 25 HA ALA 25 16.193 5.608 -3.374
458 1HB ALA 25 1HB ALA 25 13.708 5.769 -1.773
459 2HB ALA 25 2HB ALA 25 15.202 6.293 -0.996
460 3HB ALA 25 3HB ALA 25 14.677 7.051 -2.499
461 H LEU 26 H LEU 26 14.750 2.854 -1.795
462 HA LEU 26 HA LEU 26 16.756 2.628 0.242
463 1HB LEU 26 1HB LEU 26 14.749 0.603 -0.753
464 2HB LEU 26 2HB LEU 26 15.729 0.435 0.692
465 HG LEU 26 HG LEU 26 13.513 2.418 0.213
466 1HD1 LEU 26 1HD1 LEU 26 13.871 -0.002 1.931
467 2HD1 LEU 26 2HD1 LEU 26 12.748 1.275 2.398
468 3HD1 LEU 26 3HD1 LEU 26 12.532 0.426 0.867
469 1HD2 LEU 26 1HD2 LEU 26 15.729 2.412 2.185
470 2HD2 LEU 26 2HD2 LEU 26 14.865 3.765 1.453
471 3HD2 LEU 26 3HD2 LEU 26 14.118 2.847 2.761
472 H ARG 27 H ARG 27 15.965 0.582 -2.577
473 HA ARG 27 HA ARG 27 18.246 -1.020 -2.461
474 1HB ARG 27 1HB ARG 27 17.787 -1.469 -4.887
475 2HB ARG 27 2HB ARG 27 16.407 -1.706 -3.824
476 1HG ARG 27 1HG ARG 27 16.037 0.870 -4.540
477 2HG ARG 27 2HG ARG 27 16.818 0.234 -5.989
478 1HD ARG 27 1HD ARG 27 15.024 -1.731 -5.445
479 2HD ARG 27 2HD ARG 27 14.151 -0.306 -4.882
480 HE ARG 27 HE ARG 27 15.016 0.466 -7.309
481 1HH1 ARG 27 1HH1 ARG 27 13.333 -2.393 -6.222
482 2HH1 ARG 27 2HH1 ARG 27 12.511 -2.632 -7.728
483 1HH2 ARG 27 1HH2 ARG 27 13.937 0.151 -9.288
484 2HH2 ARG 27 2HH2 ARG 27 12.855 -1.188 -9.468
485 H HIS 28 H HIS 28 17.713 2.097 -4.008
486 HA HIS 28 HA HIS 28 20.250 2.126 -5.343
487 1HB HIS 28 1HB HIS 28 18.188 4.269 -4.816
488 2HB HIS 28 2HB HIS 28 19.680 4.570 -5.701
489 HD1 HIS 28 HD1 HIS 28 18.446 1.264 -6.534
490 HD2 HIS 28 HD2 HIS 28 17.666 5.156 -7.761
491 HE1 HIS 28 HE1 HIS 28 17.263 1.082 -8.762
492 H LYS 29 H LYS 29 19.022 4.444 -2.936
493 HA LYS 29 HA LYS 29 21.679 5.093 -2.083
494 1HB LYS 29 1HB LYS 29 19.294 6.416 -2.032
495 2HB LYS 29 2HB LYS 29 19.440 5.914 -0.353
496 1HG LYS 29 1HG LYS 29 21.676 7.311 -1.780
497 2HG LYS 29 2HG LYS 29 20.368 8.197 -0.993
498 1HD LYS 29 1HD LYS 29 21.021 6.536 1.000
499 2HD LYS 29 2HD LYS 29 22.585 6.627 0.186
500 1HE LYS 29 1HE LYS 29 22.703 8.374 1.702
501 2HE LYS 29 2HE LYS 29 22.185 9.182 0.224
502 1HZ LYS 29 1HZ LYS 29 20.070 8.204 1.965
503 2HZ LYS 29 2HZ LYS 29 20.973 9.507 2.556
504 3HZ LYS 29 3HZ LYS 29 20.165 9.642 1.076
505 H GLY 30 H GLY 30 22.772 4.447 -0.297
506 1HA GLY 30 1HA GLY 30 21.688 2.137 1.120
507 2HA GLY 30 2HA GLY 30 23.355 2.689 1.154
508 1HN NH2 31 1HN NH2 31 22.672 2.082 3.505
509 2HN NH2 31 2HN NH2 31 22.175 3.419 4.480