Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616324 | 5lo2 RC | 34031 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA1 ACE 0 -15.059 -2.157 -3.096
2 H2 ACE 0 HA2 ACE 0 -14.432 -1.167 -4.410
3 H3 ACE 0 HA3 ACE 0 -13.459 -1.368 -2.955
4 HA PRO 1 HA PRO 1 -12.440 -3.193 -1.586
5 HB2 PRO 1 HB2 PRO 1 -10.938 -5.555 -1.675
6 HB3 PRO 1 HB1 PRO 1 -12.453 -5.335 -0.781
7 HG2 PRO 1 HG2 PRO 1 -11.997 -6.581 -3.435
8 HG3 PRO 1 HG1 PRO 1 -13.137 -7.032 -2.148
9 HD2 PRO 1 HD2 PRO 1 -13.972 -5.738 -4.345
10 HD3 PRO 1 HD1 PRO 1 -14.667 -5.387 -2.747
11 HA PRO 2 HA PRO 2 -9.027 -1.381 -3.757
12 HB2 PRO 2 HB2 PRO 2 -7.399 -0.991 -1.541
13 HB3 PRO 2 HB1 PRO 2 -8.696 0.107 -2.059
14 HG2 PRO 2 HG2 PRO 2 -8.725 -1.978 0.059
15 HG3 PRO 2 HG1 PRO 2 -9.464 -0.364 0.046
16 HD2 PRO 2 HD2 PRO 2 -10.931 -2.568 -0.359
17 HD3 PRO 2 HD1 PRO 2 -11.273 -1.056 -1.224
18 H THR 3 HN THR 3 -7.097 -2.008 -4.619
19 HA THR 3 HA THR 3 -6.263 -4.702 -4.209
20 HB THR 3 HB THR 3 -4.966 -2.488 -5.800
21 HG1 THR 3 HG1 THR 3 -6.978 -4.396 -6.344
22 HG21 THR 3 HG21 THR 3 -3.382 -4.264 -5.308
23 HG22 THR 3 HG22 THR 3 -3.849 -4.326 -7.008
24 HG23 THR 3 HG23 THR 3 -4.538 -5.474 -5.859
25 H LYS 4 HN LYS 4 -4.804 -5.464 -2.875
26 HA LYS 4 HA LYS 4 -3.502 -3.732 -1.003
27 HB2 LYS 4 HB2 LYS 4 -3.234 -6.715 -1.427
28 HB3 LYS 4 HB1 LYS 4 -2.651 -5.820 -0.027
29 HG2 LYS 4 HG2 LYS 4 -4.969 -5.178 0.491
30 HG3 LYS 4 HG1 LYS 4 -5.518 -6.159 -0.867
31 HD2 LYS 4 HD2 LYS 4 -4.578 -8.150 0.189
32 HD3 LYS 4 HD1 LYS 4 -4.000 -7.163 1.535
33 HE2 LYS 4 HE2 LYS 4 -6.351 -6.506 1.987
34 HE3 LYS 4 HE1 LYS 4 -6.867 -7.630 0.732
35 HZ1 LYS 4 HZ1 LYS 4 -7.028 -8.591 2.952
36 HZ2 LYS 4 HZ2 LYS 4 -5.367 -8.373 3.180
37 HZ3 LYS 4 HZ3 LYS 4 -5.921 -9.440 1.994
38 HA PRO 5 HA PRO 5 0.085 -2.813 -3.387
39 HB2 PRO 5 HB2 PRO 5 1.865 -2.633 -1.240
40 HB3 PRO 5 HB1 PRO 5 0.864 -1.311 -1.876
41 HG2 PRO 5 HG2 PRO 5 0.410 -3.065 0.477
42 HG3 PRO 5 HG1 PRO 5 0.026 -1.343 0.242
43 HD2 PRO 5 HD2 PRO 5 -1.884 -3.226 0.131
44 HD3 PRO 5 HD1 PRO 5 -1.921 -1.799 -0.936
45 H THR 6 HN THR 6 0.991 -4.317 -4.547
46 HA THR 6 HA THR 6 1.857 -6.834 -3.477
47 HB THR 6 HB THR 6 2.297 -5.764 -6.260
48 HG1 THR 6 HG1 THR 6 0.144 -7.446 -5.815
49 HG21 THR 6 HG21 THR 6 2.223 -8.143 -6.880
50 HG22 THR 6 HG22 THR 6 2.036 -8.569 -5.179
51 HG23 THR 6 HG23 THR 6 3.524 -7.807 -5.737
52 H LYS 7 HN LYS 7 3.218 -3.774 -3.959
53 HA LYS 7 HA LYS 7 5.907 -4.341 -4.444
54 HB2 LYS 7 HB2 LYS 7 4.522 -2.077 -3.033
55 HB3 LYS 7 HB1 LYS 7 6.270 -2.138 -3.152
56 HG2 LYS 7 HG2 LYS 7 6.115 -2.136 -5.588
57 HG3 LYS 7 HG1 LYS 7 4.355 -2.089 -5.482
58 HD2 LYS 7 HD2 LYS 7 6.111 0.005 -4.219
59 HD3 LYS 7 HD1 LYS 7 5.545 0.128 -5.886
60 HE2 LYS 7 HE2 LYS 7 3.701 -0.241 -3.535
61 HE3 LYS 7 HE1 LYS 7 4.162 1.342 -4.158
62 HZ1 LYS 7 HZ1 LYS 7 3.194 0.786 -6.272
63 HZ2 LYS 7 HZ2 LYS 7 2.038 0.552 -5.058
64 HZ3 LYS 7 HZ3 LYS 7 2.824 -0.778 -5.749
65 HA PRO 8 HA PRO 8 7.453 -6.292 -0.741
66 HB2 PRO 8 HB2 PRO 8 9.820 -4.573 -1.240
67 HB3 PRO 8 HB1 PRO 8 9.727 -6.330 -1.031
68 HG2 PRO 8 HG2 PRO 8 10.144 -5.213 -3.419
69 HG3 PRO 8 HG1 PRO 8 9.214 -6.713 -3.218
70 HD2 PRO 8 HD2 PRO 8 8.250 -3.972 -3.842
71 HD3 PRO 8 HD1 PRO 8 7.551 -5.547 -4.274
72 H GLY 9 HN GLY 9 6.822 -5.676 1.199
73 HA2 GLY 9 HA2 GLY 9 7.352 -2.903 2.052
74 HA3 GLY 9 HA1 GLY 9 5.974 -3.848 2.600
75 H ASP 10 HN ASP 10 8.403 -5.972 2.420
76 HA ASP 10 HA ASP 10 9.056 -5.651 5.262
77 HB2 ASP 10 HB2 ASP 10 9.210 -8.098 3.490
78 HB3 ASP 10 HB1 ASP 10 9.707 -8.054 5.174
79 H ASN 11 HN ASN 11 10.604 -6.912 2.325
80 HA ASN 11 HA ASN 11 13.149 -5.805 3.294
81 HB2 ASN 11 HB2 ASN 11 13.222 -8.226 3.174
82 HB3 ASN 11 HB1 ASN 11 12.641 -8.195 1.514
83 HD21 ASN 11 HD21 ASN 11 15.348 -7.493 3.612
84 HD22 ASN 11 HD22 ASN 11 16.546 -7.446 2.366
85 H ALA 12 HN ALA 12 13.335 -3.888 2.334
86 HA ALA 12 HA ALA 12 13.857 -3.722 -0.450
87 HB1 ALA 12 HB1 ALA 12 11.411 -3.711 -0.574
88 HB2 ALA 12 HB2 ALA 12 12.082 -2.153 -1.053
89 HB3 ALA 12 HB3 ALA 12 11.358 -2.346 0.543
90 H THR 13 HN THR 13 14.384 -1.427 -1.052
91 HA THR 13 HA THR 13 16.026 -0.245 0.926
92 HB THR 13 HB THR 13 16.285 1.600 -0.734
93 HG1 THR 13 HG1 THR 13 15.058 0.279 -2.777
94 HG21 THR 13 HG21 THR 13 16.577 -1.207 -1.795
95 HG22 THR 13 HG22 THR 13 17.745 -0.340 -0.799
96 HG23 THR 13 HG23 THR 13 17.397 0.218 -2.434
97 HA PRO 14 HA PRO 14 13.383 2.397 3.217
98 HB2 PRO 14 HB2 PRO 14 14.908 4.740 3.159
99 HB3 PRO 14 HB1 PRO 14 15.098 3.421 4.325
100 HG2 PRO 14 HG2 PRO 14 16.649 4.019 1.879
101 HG3 PRO 14 HG1 PRO 14 17.187 3.354 3.442
102 HD2 PRO 14 HD2 PRO 14 16.892 1.773 1.294
103 HD3 PRO 14 HD1 PRO 14 16.494 1.200 2.924
104 H GLU 15 HN GLU 15 14.749 3.753 0.245
105 HA GLU 15 HA GLU 15 12.812 5.781 -0.104
106 HB2 GLU 15 HB2 GLU 15 14.969 5.796 -1.275
107 HB3 GLU 15 HB1 GLU 15 14.498 4.357 -2.171
108 HG2 GLU 15 HG2 GLU 15 12.606 5.651 -3.141
109 HG3 GLU 15 HG1 GLU 15 13.242 7.085 -2.341
110 H LYS 16 HN LYS 16 13.052 2.452 -1.225
111 HA LYS 16 HA LYS 16 10.730 2.588 -2.880
112 HB2 LYS 16 HB2 LYS 16 12.755 1.004 -3.085
113 HB3 LYS 16 HB1 LYS 16 11.978 0.067 -1.815
114 HG2 LYS 16 HG2 LYS 16 9.956 -0.068 -3.290
115 HG3 LYS 16 HG1 LYS 16 10.934 0.649 -4.570
116 HD2 LYS 16 HD2 LYS 16 12.540 -1.205 -4.345
117 HD3 LYS 16 HD1 LYS 16 11.500 -1.934 -3.121
118 HE2 LYS 16 HE2 LYS 16 10.860 -1.465 -6.025
119 HE3 LYS 16 HE1 LYS 16 11.090 -3.014 -5.217
120 HZ1 LYS 16 HZ1 LYS 16 9.126 -2.402 -3.817
121 HZ2 LYS 16 HZ2 LYS 16 8.783 -2.691 -5.448
122 HZ3 LYS 16 HZ3 LYS 16 8.855 -1.104 -4.867
123 H LEU 17 HN LEU 17 11.450 1.528 0.394
124 HA LEU 17 HA LEU 17 8.934 0.454 1.020
125 HB2 LEU 17 HB2 LEU 17 11.038 1.762 2.718
126 HB3 LEU 17 HB1 LEU 17 9.569 1.096 3.398
127 HG LEU 17 HG LEU 17 11.672 -0.448 1.878
128 HD11 LEU 17 HD11 LEU 17 12.125 -1.489 4.041
129 HD12 LEU 17 HD12 LEU 17 10.951 -0.416 4.804
130 HD13 LEU 17 HD13 LEU 17 12.417 0.249 4.086
131 HD21 LEU 17 HD21 LEU 17 9.115 -1.335 3.207
132 HD22 LEU 17 HD22 LEU 17 10.378 -2.423 2.630
133 HD23 LEU 17 HD23 LEU 17 9.499 -1.409 1.488
134 H ALA 18 HN ALA 18 10.144 3.753 1.005
135 HA ALA 18 HA ALA 18 7.942 4.968 2.255
136 HB1 ALA 18 HB1 ALA 18 9.768 6.123 0.158
137 HB2 ALA 18 HB2 ALA 18 10.074 6.112 1.896
138 HB3 ALA 18 HB3 ALA 18 8.720 7.036 1.243
139 H LYS 19 HN LYS 19 8.614 4.121 -1.097
140 HA LYS 19 HA LYS 19 6.271 5.221 -2.218
141 HB2 LYS 19 HB2 LYS 19 8.247 4.501 -3.537
142 HB3 LYS 19 HB1 LYS 19 7.865 2.828 -3.161
143 HG2 LYS 19 HG2 LYS 19 7.118 3.373 -5.390
144 HG3 LYS 19 HG1 LYS 19 5.728 3.062 -4.350
145 HD2 LYS 19 HD2 LYS 19 5.380 5.461 -4.081
146 HD3 LYS 19 HD1 LYS 19 6.792 5.789 -5.085
147 HE2 LYS 19 HE2 LYS 19 4.290 4.361 -5.971
148 HE3 LYS 19 HE1 LYS 19 4.701 6.032 -6.339
149 HZ1 LYS 19 HZ1 LYS 19 6.131 3.596 -7.246
150 HZ2 LYS 19 HZ2 LYS 19 6.714 5.165 -7.472
151 HZ3 LYS 19 HZ3 LYS 19 5.266 4.691 -8.202
152 H TYR 20 HN TYR 20 7.016 2.078 -0.809
153 HA TYR 20 HA TYR 20 4.534 0.840 -1.247
154 HB2 TYR 20 HB2 TYR 20 6.452 -0.451 -0.524
155 HB3 TYR 20 HB1 TYR 20 6.561 0.473 0.971
156 HD1 TYR 20 HD1 TYR 20 4.507 -1.998 -0.871
157 HD2 TYR 20 HD2 TYR 20 5.280 -0.129 2.873
158 HE1 TYR 20 HE1 TYR 20 3.056 -3.639 0.247
159 HE2 TYR 20 HE2 TYR 20 3.831 -1.765 3.998
160 HH TYR 20 HH TYR 20 1.982 -3.263 3.462
161 H GLN 21 HN GLN 21 5.725 2.876 1.374
162 HA GLN 21 HA GLN 21 3.452 2.730 3.026
163 HB2 GLN 21 HB2 GLN 21 5.561 4.875 2.743
164 HB3 GLN 21 HB1 GLN 21 4.357 4.842 4.022
165 HG2 GLN 21 HG2 GLN 21 5.258 2.889 4.968
166 HG3 GLN 21 HG1 GLN 21 6.235 2.555 3.541
167 HE21 GLN 21 HE21 GLN 21 8.133 2.440 4.731
168 HE22 GLN 21 HE22 GLN 21 8.894 3.843 5.394
169 H ALA 22 HN ALA 22 4.257 4.793 0.302
170 HA ALA 22 HA ALA 22 2.077 6.587 0.584
171 HB1 ALA 22 HB1 ALA 22 3.651 5.836 -1.879
172 HB2 ALA 22 HB2 ALA 22 4.042 7.136 -0.756
173 HB3 ALA 22 HB3 ALA 22 2.576 7.227 -1.731
174 H ASP 23 HN ASP 23 2.556 3.560 -1.124
175 HA ASP 23 HA ASP 23 0.038 3.538 -2.453
176 HB2 ASP 23 HB2 ASP 23 2.094 2.177 -3.074
177 HB3 ASP 23 HB1 ASP 23 1.718 1.133 -1.704
178 H LEU 24 HN LEU 24 1.280 2.108 0.524
179 HA LEU 24 HA LEU 24 -1.062 0.783 1.321
180 HB2 LEU 24 HB2 LEU 24 1.298 0.488 2.206
181 HB3 LEU 24 HB1 LEU 24 1.058 1.960 3.120
182 HG LEU 24 HG LEU 24 0.765 -0.300 4.315
183 HD11 LEU 24 HD11 LEU 24 0.199 1.799 5.351
184 HD12 LEU 24 HD12 LEU 24 -1.043 0.600 5.717
185 HD13 LEU 24 HD13 LEU 24 -1.342 1.838 4.497
186 HD21 LEU 24 HD21 LEU 24 -1.457 -1.272 4.190
187 HD22 LEU 24 HD22 LEU 24 -0.668 -1.328 2.613
188 HD23 LEU 24 HD23 LEU 24 -1.908 -0.119 2.937
189 H ALA 25 HN ALA 25 0.063 4.087 1.756
190 HA ALA 25 HA ALA 25 -1.929 5.007 3.497
191 HB1 ALA 25 HB1 ALA 25 -0.548 6.524 1.290
192 HB2 ALA 25 HB2 ALA 25 0.089 6.281 2.916
193 HB3 ALA 25 HB3 ALA 25 -1.382 7.226 2.677
194 H LYS 26 HN LYS 26 -1.794 4.995 -0.052
195 HA LYS 26 HA LYS 26 -4.358 5.992 -0.556
196 HB2 LYS 26 HB2 LYS 26 -2.648 5.711 -2.309
197 HB3 LYS 26 HB1 LYS 26 -2.777 3.968 -2.155
198 HG2 LYS 26 HG2 LYS 26 -5.243 4.269 -2.753
199 HG3 LYS 26 HG1 LYS 26 -4.789 5.896 -3.261
200 HD2 LYS 26 HD2 LYS 26 -4.751 4.454 -5.182
201 HD3 LYS 26 HD1 LYS 26 -3.091 4.886 -4.770
202 HE2 LYS 26 HE2 LYS 26 -2.777 2.745 -3.671
203 HE3 LYS 26 HE1 LYS 26 -4.460 2.318 -3.975
204 HZ1 LYS 26 HZ1 LYS 26 -2.380 2.772 -6.047
205 HZ2 LYS 26 HZ2 LYS 26 -3.998 2.389 -6.351
206 HZ3 LYS 26 HZ3 LYS 26 -2.998 1.272 -5.569
207 H TYR 27 HN TYR 27 -3.195 2.717 0.004
208 HA TYR 27 HA TYR 27 -5.570 1.336 -0.513
209 HB2 TYR 27 HB2 TYR 27 -3.435 0.177 -0.300
210 HB3 TYR 27 HB1 TYR 27 -3.321 0.652 1.387
211 HD1 TYR 27 HD1 TYR 27 -5.214 -1.453 -0.998
212 HD2 TYR 27 HD2 TYR 27 -4.384 -0.607 3.087
213 HE1 TYR 27 HE1 TYR 27 -6.363 -3.522 -0.341
214 HE2 TYR 27 HE2 TYR 27 -5.531 -2.670 3.753
215 HH TYR 27 HH TYR 27 -6.558 -5.043 1.417
216 H GLN 28 HN GLN 28 -4.327 2.715 2.519
217 HA GLN 28 HA GLN 28 -6.428 1.835 4.165
218 HB2 GLN 28 HB2 GLN 28 -4.645 4.265 4.408
219 HB3 GLN 28 HB1 GLN 28 -5.768 3.750 5.658
220 HG2 GLN 28 HG2 GLN 28 -4.558 1.591 5.799
221 HG3 GLN 28 HG1 GLN 28 -3.392 2.209 4.630
222 HE21 GLN 28 HE21 GLN 28 -1.968 3.831 5.249
223 HE22 GLN 28 HE22 GLN 28 -1.686 4.225 6.906
224 H LYS 29 HN LYS 29 -6.041 4.754 2.229
225 HA LYS 29 HA LYS 29 -8.373 6.067 3.094
226 HB2 LYS 29 HB2 LYS 29 -6.603 7.238 1.901
227 HB3 LYS 29 HB1 LYS 29 -6.892 6.262 0.466
228 HG2 LYS 29 HG2 LYS 29 -9.099 7.245 0.217
229 HG3 LYS 29 HG1 LYS 29 -8.858 8.189 1.690
230 HD2 LYS 29 HD2 LYS 29 -6.996 9.362 0.658
231 HD3 LYS 29 HD1 LYS 29 -7.163 8.381 -0.799
232 HE2 LYS 29 HE2 LYS 29 -9.344 9.316 -1.230
233 HE3 LYS 29 HE1 LYS 29 -9.305 10.198 0.295
234 HZ1 LYS 29 HZ1 LYS 29 -7.413 11.457 -0.538
235 HZ2 LYS 29 HZ2 LYS 29 -8.760 11.644 -1.539
236 HZ3 LYS 29 HZ3 LYS 29 -7.492 10.635 -2.015
237 H ASP 30 HN ASP 30 -7.773 4.055 0.223
238 HA ASP 30 HA ASP 30 -10.451 4.141 -0.704
239 HB2 ASP 30 HB2 ASP 30 -8.305 3.490 -1.992
240 HB3 ASP 30 HB1 ASP 30 -8.552 1.885 -1.307
241 H LEU 31 HN LEU 31 -8.721 2.071 1.500
242 HA LEU 31 HA LEU 31 -10.627 0.009 1.763
243 HB2 LEU 31 HB2 LEU 31 -8.251 -0.071 2.564
244 HB3 LEU 31 HB1 LEU 31 -8.705 1.013 3.862
245 HG LEU 31 HG LEU 31 -10.299 -0.712 4.687
246 HD11 LEU 31 HD11 LEU 31 -9.984 -3.028 3.872
247 HD12 LEU 31 HD12 LEU 31 -8.995 -2.398 2.554
248 HD13 LEU 31 HD13 LEU 31 -10.699 -1.959 2.667
249 HD21 LEU 31 HD21 LEU 31 -8.551 -2.179 5.611
250 HD22 LEU 31 HD22 LEU 31 -8.112 -0.472 5.686
251 HD23 LEU 31 HD23 LEU 31 -7.404 -1.511 4.448
252 H ALA 32 HN ALA 32 -10.110 3.007 3.570
253 HA ALA 32 HA ALA 32 -12.200 2.704 5.416
254 HB1 ALA 32 HB1 ALA 32 -12.014 5.107 5.742
255 HB2 ALA 32 HB2 ALA 32 -11.069 5.243 4.259
256 HB3 ALA 32 HB3 ALA 32 -10.418 4.364 5.642
257 H ASP 33 HN ASP 33 -12.080 3.948 2.162
258 HA ASP 33 HA ASP 33 -14.766 4.901 2.080
259 HB2 ASP 33 HB2 ASP 33 -13.083 5.784 0.558
260 HB3 ASP 33 HB1 ASP 33 -12.823 4.184 -0.128
261 H TYR 34 HN TYR 34 -13.260 1.847 1.718
262 HA TYR 34 HA TYR 34 -15.309 0.548 0.203
263 HB2 TYR 34 HB2 TYR 34 -13.040 -0.279 0.128
264 HB3 TYR 34 HB1 TYR 34 -13.014 -0.493 1.871
265 HD1 TYR 34 HD1 TYR 34 -15.068 -1.618 -1.043
266 HD2 TYR 34 HD2 TYR 34 -13.195 -2.649 2.630
267 HE1 TYR 34 HE1 TYR 34 -15.760 -3.951 -1.351
268 HE2 TYR 34 HE2 TYR 34 -13.888 -4.984 2.336
269 HH TYR 34 HH TYR 34 -15.571 -6.272 1.144
270 HN1 NH2 35 HN1 NH2 35 -17.151 -0.278 0.903
271 HN2 NH2 35 HN2 NH2 35 -17.589 -0.550 2.553
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 -13.095 0.195 -4.066
2 H2 ACE 0 HA2 ACE 0 -14.419 -0.964 -3.998
3 H3 ACE 0 HA3 ACE 0 -14.252 0.058 -5.423
4 HA PRO 1 HA PRO 1 -12.711 -2.431 -2.638
5 HB2 PRO 1 HB2 PRO 1 -11.511 -4.919 -2.785
6 HB3 PRO 1 HB1 PRO 1 -13.254 -4.664 -2.577
7 HG2 PRO 1 HG2 PRO 1 -11.721 -5.291 -5.046
8 HG3 PRO 1 HG1 PRO 1 -13.298 -5.902 -4.506
9 HD2 PRO 1 HD2 PRO 1 -13.116 -3.993 -6.386
10 HD3 PRO 1 HD1 PRO 1 -14.424 -3.990 -5.186
11 HA PRO 2 HA PRO 2 -8.590 -0.898 -2.814
12 HB2 PRO 2 HB2 PRO 2 -7.756 -1.476 -0.266
13 HB3 PRO 2 HB1 PRO 2 -8.851 -0.133 -0.658
14 HG2 PRO 2 HG2 PRO 2 -9.505 -2.860 0.349
15 HG3 PRO 2 HG1 PRO 2 -10.147 -1.289 0.861
16 HD2 PRO 2 HD2 PRO 2 -11.546 -2.863 -0.784
17 HD3 PRO 2 HD1 PRO 2 -11.540 -1.100 -0.993
18 H THR 3 HN THR 3 -6.628 -1.635 -3.409
19 HA THR 3 HA THR 3 -6.149 -4.513 -3.177
20 HB THR 3 HB THR 3 -4.892 -2.492 -5.038
21 HG1 THR 3 HG1 THR 3 -6.464 -4.590 -5.984
22 HG21 THR 3 HG21 THR 3 -4.643 -5.500 -4.936
23 HG22 THR 3 HG22 THR 3 -3.373 -4.337 -4.559
24 HG23 THR 3 HG23 THR 3 -3.991 -4.464 -6.205
25 H LYS 4 HN LYS 4 -4.586 -5.264 -1.925
26 HA LYS 4 HA LYS 4 -3.040 -3.550 -0.276
27 HB2 LYS 4 HB2 LYS 4 -2.724 -6.506 -0.829
28 HB3 LYS 4 HB1 LYS 4 -1.918 -5.628 0.467
29 HG2 LYS 4 HG2 LYS 4 -4.146 -5.088 1.411
30 HG3 LYS 4 HG1 LYS 4 -4.874 -6.107 0.167
31 HD2 LYS 4 HD2 LYS 4 -2.894 -6.990 2.263
32 HD3 LYS 4 HD1 LYS 4 -4.626 -7.325 2.267
33 HE2 LYS 4 HE2 LYS 4 -4.383 -8.602 0.193
34 HE3 LYS 4 HE1 LYS 4 -2.655 -8.259 0.179
35 HZ1 LYS 4 HZ1 LYS 4 -4.082 -9.774 2.295
36 HZ2 LYS 4 HZ2 LYS 4 -2.420 -9.473 2.239
37 HZ3 LYS 4 HZ3 LYS 4 -3.138 -10.458 1.069
38 HA PRO 5 HA PRO 5 0.375 -2.722 -2.937
39 HB2 PRO 5 HB2 PRO 5 2.175 -2.997 -0.613
40 HB3 PRO 5 HB1 PRO 5 1.870 -1.586 -1.647
41 HG2 PRO 5 HG2 PRO 5 0.976 -1.681 0.855
42 HG3 PRO 5 HG1 PRO 5 0.042 -0.914 -0.453
43 HD2 PRO 5 HD2 PRO 5 -0.350 -3.598 0.818
44 HD3 PRO 5 HD1 PRO 5 -1.564 -2.403 0.300
45 H THR 6 HN THR 6 0.838 -4.315 -4.280
46 HA THR 6 HA THR 6 1.921 -6.844 -3.446
47 HB THR 6 HB THR 6 1.849 -5.750 -6.251
48 HG1 THR 6 HG1 THR 6 -0.237 -6.567 -4.562
49 HG21 THR 6 HG21 THR 6 1.550 -8.112 -6.854
50 HG22 THR 6 HG22 THR 6 1.612 -8.553 -5.148
51 HG23 THR 6 HG23 THR 6 3.035 -7.871 -5.934
52 H LYS 7 HN LYS 7 3.116 -3.826 -3.760
53 HA LYS 7 HA LYS 7 5.683 -4.240 -4.889
54 HB2 LYS 7 HB2 LYS 7 4.769 -2.104 -2.946
55 HB3 LYS 7 HB1 LYS 7 6.162 -2.017 -4.015
56 HG2 LYS 7 HG2 LYS 7 4.782 -1.900 -5.950
57 HG3 LYS 7 HG1 LYS 7 3.335 -2.295 -5.014
58 HD2 LYS 7 HD2 LYS 7 3.626 -0.167 -3.762
59 HD3 LYS 7 HD1 LYS 7 4.989 0.229 -4.813
60 HE2 LYS 7 HE2 LYS 7 2.940 1.337 -5.558
61 HE3 LYS 7 HE1 LYS 7 3.515 0.182 -6.758
62 HZ1 LYS 7 HZ1 LYS 7 1.315 -0.301 -4.810
63 HZ2 LYS 7 HZ2 LYS 7 1.865 -1.401 -5.975
64 HZ3 LYS 7 HZ3 LYS 7 1.124 0.033 -6.461
65 HA PRO 8 HA PRO 8 7.937 -6.116 -1.570
66 HB2 PRO 8 HB2 PRO 8 10.219 -4.552 -1.512
67 HB3 PRO 8 HB1 PRO 8 9.940 -5.889 -2.644
68 HG2 PRO 8 HG2 PRO 8 9.618 -2.966 -3.058
69 HG3 PRO 8 HG1 PRO 8 10.250 -4.201 -4.167
70 HD2 PRO 8 HD2 PRO 8 7.757 -3.222 -4.435
71 HD3 PRO 8 HD1 PRO 8 8.130 -4.928 -4.780
72 H GLY 9 HN GLY 9 7.690 -5.950 0.543
73 HA2 GLY 9 HA2 GLY 9 7.845 -3.308 1.810
74 HA3 GLY 9 HA1 GLY 9 6.397 -4.276 2.028
75 H ASP 10 HN ASP 10 8.156 -6.748 2.021
76 HA ASP 10 HA ASP 10 8.467 -6.909 4.849
77 HB2 ASP 10 HB2 ASP 10 9.495 -8.794 2.713
78 HB3 ASP 10 HB1 ASP 10 9.405 -9.146 4.433
79 H ASN 11 HN ASN 11 10.731 -6.863 2.140
80 HA ASN 11 HA ASN 11 12.678 -5.496 3.819
81 HB2 ASN 11 HB2 ASN 11 13.226 -7.935 3.938
82 HB3 ASN 11 HB1 ASN 11 13.428 -7.928 2.188
83 HD21 ASN 11 HD21 ASN 11 15.596 -8.474 2.252
84 HD22 ASN 11 HD22 ASN 11 16.813 -7.385 2.819
85 H ALA 12 HN ALA 12 13.189 -3.717 2.716
86 HA ALA 12 HA ALA 12 13.869 -3.804 -0.071
87 HB1 ALA 12 HB1 ALA 12 12.138 -2.336 -0.877
88 HB2 ALA 12 HB2 ALA 12 11.436 -2.217 0.736
89 HB3 ALA 12 HB3 ALA 12 11.390 -3.750 -0.134
90 H THR 13 HN THR 13 14.367 -1.566 -0.873
91 HA THR 13 HA THR 13 16.051 -0.200 0.947
92 HB THR 13 HB THR 13 16.295 1.470 -0.873
93 HG1 THR 13 HG1 THR 13 14.455 -0.186 -2.291
94 HG21 THR 13 HG21 THR 13 17.292 -0.046 -2.511
95 HG22 THR 13 HG22 THR 13 16.421 -1.401 -1.790
96 HG23 THR 13 HG23 THR 13 17.662 -0.558 -0.865
97 HA PRO 14 HA PRO 14 13.390 2.589 3.026
98 HB2 PRO 14 HB2 PRO 14 14.874 4.932 2.844
99 HB3 PRO 14 HB1 PRO 14 15.132 3.661 4.052
100 HG2 PRO 14 HG2 PRO 14 16.583 4.188 1.523
101 HG3 PRO 14 HG1 PRO 14 17.201 3.640 3.101
102 HD2 PRO 14 HD2 PRO 14 16.886 1.922 1.062
103 HD3 PRO 14 HD1 PRO 14 16.574 1.437 2.740
104 H GLU 15 HN GLU 15 14.734 3.719 -0.053
105 HA GLU 15 HA GLU 15 12.797 5.724 -0.514
106 HB2 GLU 15 HB2 GLU 15 14.957 5.619 -1.703
107 HB3 GLU 15 HB1 GLU 15 14.416 4.161 -2.529
108 HG2 GLU 15 HG2 GLU 15 12.604 5.431 -3.583
109 HG3 GLU 15 HG1 GLU 15 13.152 6.886 -2.752
110 H LYS 16 HN LYS 16 12.985 2.311 -1.343
111 HA LYS 16 HA LYS 16 10.628 2.296 -2.947
112 HB2 LYS 16 HB2 LYS 16 12.515 0.624 -3.097
113 HB3 LYS 16 HB1 LYS 16 11.948 -0.051 -1.575
114 HG2 LYS 16 HG2 LYS 16 11.115 -1.401 -3.352
115 HG3 LYS 16 HG1 LYS 16 9.757 -0.502 -2.669
116 HD2 LYS 16 HD2 LYS 16 9.880 1.108 -4.488
117 HD3 LYS 16 HD1 LYS 16 11.287 0.275 -5.153
118 HE2 LYS 16 HE2 LYS 16 9.899 -1.745 -5.456
119 HE3 LYS 16 HE1 LYS 16 8.499 -0.841 -4.881
120 HZ1 LYS 16 HZ1 LYS 16 8.581 -0.917 -7.292
121 HZ2 LYS 16 HZ2 LYS 16 10.105 -0.186 -7.293
122 HZ3 LYS 16 HZ3 LYS 16 8.756 0.673 -6.744
123 H LEU 17 HN LEU 17 11.395 1.480 0.400
124 HA LEU 17 HA LEU 17 8.875 0.543 1.161
125 HB2 LEU 17 HB2 LEU 17 11.060 1.883 2.725
126 HB3 LEU 17 HB1 LEU 17 9.601 1.280 3.477
127 HG LEU 17 HG LEU 17 11.631 -0.373 1.978
128 HD11 LEU 17 HD11 LEU 17 10.981 -0.168 4.911
129 HD12 LEU 17 HD12 LEU 17 12.452 0.396 4.121
130 HD13 LEU 17 HD13 LEU 17 12.094 -1.328 4.188
131 HD21 LEU 17 HD21 LEU 17 10.321 -2.286 2.862
132 HD22 LEU 17 HD22 LEU 17 9.442 -1.321 1.679
133 HD23 LEU 17 HD23 LEU 17 9.086 -1.146 3.398
134 H ALA 18 HN ALA 18 10.129 3.802 0.853
135 HA ALA 18 HA ALA 18 8.053 5.145 2.179
136 HB1 ALA 18 HB1 ALA 18 9.708 6.120 -0.138
137 HB2 ALA 18 HB2 ALA 18 10.170 6.209 1.562
138 HB3 ALA 18 HB3 ALA 18 8.779 7.121 0.977
139 H LYS 19 HN LYS 19 8.458 4.180 -1.201
140 HA LYS 19 HA LYS 19 5.984 5.198 -2.111
141 HB2 LYS 19 HB2 LYS 19 7.786 4.591 -3.653
142 HB3 LYS 19 HB1 LYS 19 7.652 2.909 -3.172
143 HG2 LYS 19 HG2 LYS 19 6.585 3.275 -5.316
144 HG3 LYS 19 HG1 LYS 19 5.394 2.815 -4.101
145 HD2 LYS 19 HD2 LYS 19 4.518 4.608 -5.470
146 HD3 LYS 19 HD1 LYS 19 4.795 5.193 -3.829
147 HE2 LYS 19 HE2 LYS 19 5.543 6.839 -5.442
148 HE3 LYS 19 HE1 LYS 19 6.921 6.186 -4.563
149 HZ1 LYS 19 HZ1 LYS 19 6.063 5.427 -7.301
150 HZ2 LYS 19 HZ2 LYS 19 7.344 4.712 -6.461
151 HZ3 LYS 19 HZ3 LYS 19 7.423 6.345 -6.894
152 H TYR 20 HN TYR 20 6.987 2.150 -0.708
153 HA TYR 20 HA TYR 20 4.592 0.721 -1.017
154 HB2 TYR 20 HB2 TYR 20 6.731 -0.311 -0.363
155 HB3 TYR 20 HB1 TYR 20 6.670 0.537 1.178
156 HD1 TYR 20 HD1 TYR 20 5.133 -2.141 -0.835
157 HD2 TYR 20 HD2 TYR 20 5.337 -0.280 2.986
158 HE1 TYR 20 HE1 TYR 20 3.901 -4.029 0.142
159 HE2 TYR 20 HE2 TYR 20 4.108 -2.169 3.974
160 HH TYR 20 HH TYR 20 2.625 -3.936 3.331
161 H GLN 21 HN GLN 21 5.756 2.820 1.596
162 HA GLN 21 HA GLN 21 3.473 2.577 3.245
163 HB2 GLN 21 HB2 GLN 21 5.517 4.792 3.043
164 HB3 GLN 21 HB1 GLN 21 4.314 4.662 4.316
165 HG2 GLN 21 HG2 GLN 21 5.278 2.588 5.077
166 HG3 GLN 21 HG1 GLN 21 6.421 2.594 3.735
167 HE21 GLN 21 HE21 GLN 21 8.206 2.568 5.078
168 HE22 GLN 21 HE22 GLN 21 8.691 3.943 6.007
169 H ALA 22 HN ALA 22 4.320 4.798 0.644
170 HA ALA 22 HA ALA 22 2.108 6.520 0.908
171 HB1 ALA 22 HB1 ALA 22 3.658 5.833 -1.586
172 HB2 ALA 22 HB2 ALA 22 4.118 7.058 -0.405
173 HB3 ALA 22 HB3 ALA 22 2.638 7.252 -1.347
174 H ASP 23 HN ASP 23 2.619 3.546 -0.899
175 HA ASP 23 HA ASP 23 0.058 3.597 -2.175
176 HB2 ASP 23 HB2 ASP 23 2.078 2.398 -3.071
177 HB3 ASP 23 HB1 ASP 23 1.893 1.221 -1.769
178 H LEU 24 HN LEU 24 1.382 2.227 0.749
179 HA LEU 24 HA LEU 24 -0.838 0.664 1.530
180 HB2 LEU 24 HB2 LEU 24 1.475 0.578 2.519
181 HB3 LEU 24 HB1 LEU 24 1.152 2.114 3.292
182 HG LEU 24 HG LEU 24 0.963 -0.017 4.697
183 HD11 LEU 24 HD11 LEU 24 -1.331 1.932 4.647
184 HD12 LEU 24 HD12 LEU 24 0.213 2.160 5.470
185 HD13 LEU 24 HD13 LEU 24 -0.889 0.888 5.999
186 HD21 LEU 24 HD21 LEU 24 -1.170 -1.168 4.626
187 HD22 LEU 24 HD22 LEU 24 -0.346 -1.305 3.072
188 HD23 LEU 24 HD23 LEU 24 -1.681 -0.173 3.265
189 H ALA 25 HN ALA 25 0.032 4.054 2.065
190 HA ALA 25 HA ALA 25 -2.172 4.792 3.632
191 HB1 ALA 25 HB1 ALA 25 -0.642 6.469 1.651
192 HB2 ALA 25 HB2 ALA 25 -0.190 6.194 3.333
193 HB3 ALA 25 HB3 ALA 25 -1.670 7.073 2.951
194 H LYS 26 HN LYS 26 -1.720 4.713 0.128
195 HA LYS 26 HA LYS 26 -4.223 5.748 -0.606
196 HB2 LYS 26 HB2 LYS 26 -2.364 5.500 -2.188
197 HB3 LYS 26 HB1 LYS 26 -2.482 3.753 -2.067
198 HG2 LYS 26 HG2 LYS 26 -4.677 3.788 -3.076
199 HG3 LYS 26 HG1 LYS 26 -4.653 5.550 -3.117
200 HD2 LYS 26 HD2 LYS 26 -2.688 3.774 -4.560
201 HD3 LYS 26 HD1 LYS 26 -4.116 4.501 -5.299
202 HE2 LYS 26 HE2 LYS 26 -3.243 6.734 -4.736
203 HE3 LYS 26 HE1 LYS 26 -1.801 5.983 -4.057
204 HZ1 LYS 26 HZ1 LYS 26 -1.257 5.100 -6.221
205 HZ2 LYS 26 HZ2 LYS 26 -1.451 6.776 -6.324
206 HZ3 LYS 26 HZ3 LYS 26 -2.671 5.749 -6.884
207 H TYR 27 HN TYR 27 -3.138 2.467 0.077
208 HA TYR 27 HA TYR 27 -5.516 1.103 -0.525
209 HB2 TYR 27 HB2 TYR 27 -3.517 -0.165 -0.190
210 HB3 TYR 27 HB1 TYR 27 -3.268 0.520 1.405
211 HD1 TYR 27 HD1 TYR 27 -5.360 -1.825 -0.545
212 HD2 TYR 27 HD2 TYR 27 -4.261 -0.478 3.336
213 HE1 TYR 27 HE1 TYR 27 -6.527 -3.744 0.442
214 HE2 TYR 27 HE2 TYR 27 -5.429 -2.394 4.333
215 HH TYR 27 HH TYR 27 -7.118 -4.002 3.835
216 H GLN 28 HN GLN 28 -4.380 2.589 2.481
217 HA GLN 28 HA GLN 28 -6.567 1.829 4.075
218 HB2 GLN 28 HB2 GLN 28 -4.682 4.180 4.317
219 HB3 GLN 28 HB1 GLN 28 -5.861 3.744 5.546
220 HG2 GLN 28 HG2 GLN 28 -4.765 1.537 5.769
221 HG3 GLN 28 HG1 GLN 28 -3.548 2.057 4.604
222 HE21 GLN 28 HE21 GLN 28 -3.494 4.790 5.619
223 HE22 GLN 28 HE22 GLN 28 -2.636 4.724 7.115
224 H LYS 29 HN LYS 29 -6.005 4.692 2.076
225 HA LYS 29 HA LYS 29 -8.280 6.129 2.879
226 HB2 LYS 29 HB2 LYS 29 -6.425 7.132 1.595
227 HB3 LYS 29 HB1 LYS 29 -6.905 6.192 0.185
228 HG2 LYS 29 HG2 LYS 29 -9.078 7.337 0.185
229 HG3 LYS 29 HG1 LYS 29 -8.551 8.304 1.564
230 HD2 LYS 29 HD2 LYS 29 -6.765 9.268 0.237
231 HD3 LYS 29 HD1 LYS 29 -7.211 8.252 -1.134
232 HE2 LYS 29 HE2 LYS 29 -8.099 10.484 -1.434
233 HE3 LYS 29 HE1 LYS 29 -9.414 9.338 -1.197
234 HZ1 LYS 29 HZ1 LYS 29 -9.574 10.043 1.101
235 HZ2 LYS 29 HZ2 LYS 29 -9.751 11.368 0.069
236 HZ3 LYS 29 HZ3 LYS 29 -8.292 11.124 0.888
237 H ASP 30 HN ASP 30 -7.780 3.952 0.125
238 HA ASP 30 HA ASP 30 -10.433 4.141 -0.853
239 HB2 ASP 30 HB2 ASP 30 -8.409 3.314 -2.137
240 HB3 ASP 30 HB1 ASP 30 -8.551 1.803 -1.240
241 H LEU 31 HN LEU 31 -8.835 2.021 1.429
242 HA LEU 31 HA LEU 31 -10.873 0.133 1.806
243 HB2 LEU 31 HB2 LEU 31 -8.573 -0.172 2.590
244 HB3 LEU 31 HB1 LEU 31 -8.774 1.146 3.724
245 HG LEU 31 HG LEU 31 -10.422 -0.170 4.976
246 HD11 LEU 31 HD11 LEU 31 -10.689 -2.564 4.468
247 HD12 LEU 31 HD12 LEU 31 -9.784 -2.331 2.973
248 HD13 LEU 31 HD13 LEU 31 -11.340 -1.531 3.198
249 HD21 LEU 31 HD21 LEU 31 -8.077 -0.255 5.594
250 HD22 LEU 31 HD22 LEU 31 -7.807 -1.577 4.458
251 HD23 LEU 31 HD23 LEU 31 -8.843 -1.820 5.866
252 H ALA 32 HN ALA 32 -10.271 3.252 3.331
253 HA ALA 32 HA ALA 32 -12.262 3.136 5.299
254 HB1 ALA 32 HB1 ALA 32 -10.473 4.819 5.243
255 HB2 ALA 32 HB2 ALA 32 -12.072 5.547 5.402
256 HB3 ALA 32 HB3 ALA 32 -11.244 5.567 3.845
257 H ASP 33 HN ASP 33 -12.334 4.138 1.938
258 HA ASP 33 HA ASP 33 -15.024 5.101 2.011
259 HB2 ASP 33 HB2 ASP 33 -13.419 5.963 0.374
260 HB3 ASP 33 HB1 ASP 33 -13.264 4.361 -0.340
261 H TYR 34 HN TYR 34 -13.540 2.024 1.547
262 HA TYR 34 HA TYR 34 -15.690 0.798 0.113
263 HB2 TYR 34 HB2 TYR 34 -13.268 0.053 0.098
264 HB3 TYR 34 HB1 TYR 34 -13.541 -0.596 1.708
265 HD1 TYR 34 HD1 TYR 34 -14.927 -0.789 -1.755
266 HD2 TYR 34 HD2 TYR 34 -14.236 -2.787 1.934
267 HE1 TYR 34 HE1 TYR 34 -15.762 -2.879 -2.734
268 HE2 TYR 34 HE2 TYR 34 -15.067 -4.881 0.965
269 HH TYR 34 HH TYR 34 -16.418 -5.682 -0.826
270 HN1 NH2 35 HN1 NH2 35 -17.583 1.014 1.215
271 HN2 NH2 35 HN2 NH2 35 -17.900 0.286 2.751
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 -14.561 -0.417 -4.204
2 H2 ACE 0 HA2 ACE 0 -13.633 -0.886 -2.782
3 H3 ACE 0 HA3 ACE 0 -15.229 -1.590 -3.031
4 HA PRO 1 HA PRO 1 -13.038 -3.319 -1.747
5 HB2 PRO 1 HB2 PRO 1 -12.261 -5.955 -2.191
6 HB3 PRO 1 HB1 PRO 1 -13.790 -5.458 -1.446
7 HG2 PRO 1 HG2 PRO 1 -13.235 -6.297 -4.235
8 HG3 PRO 1 HG1 PRO 1 -14.653 -6.616 -3.215
9 HD2 PRO 1 HD2 PRO 1 -14.708 -4.758 -5.165
10 HD3 PRO 1 HD1 PRO 1 -15.595 -4.544 -3.643
11 HA PRO 2 HA PRO 2 -9.129 -2.335 -3.700
12 HB2 PRO 2 HB2 PRO 2 -7.883 -1.438 -1.457
13 HB3 PRO 2 HB1 PRO 2 -9.081 -0.474 -2.345
14 HG2 PRO 2 HG2 PRO 2 -9.423 -2.086 0.134
15 HG3 PRO 2 HG1 PRO 2 -10.057 -0.475 -0.261
16 HD2 PRO 2 HD2 PRO 2 -11.573 -2.718 -0.432
17 HD3 PRO 2 HD1 PRO 2 -11.805 -1.318 -1.500
18 H THR 3 HN THR 3 -7.312 -3.468 -4.017
19 HA THR 3 HA THR 3 -6.817 -5.808 -2.346
20 HB THR 3 HB THR 3 -5.472 -5.029 -4.935
21 HG1 THR 3 HG1 THR 3 -7.857 -5.309 -5.002
22 HG21 THR 3 HG21 THR 3 -5.779 -7.694 -3.553
23 HG22 THR 3 HG22 THR 3 -4.303 -6.730 -3.613
24 HG23 THR 3 HG23 THR 3 -4.970 -7.414 -5.095
25 H LYS 4 HN LYS 4 -4.883 -6.144 -1.269
26 HA LYS 4 HA LYS 4 -3.452 -3.862 -0.415
27 HB2 LYS 4 HB2 LYS 4 -2.752 -6.796 -0.164
28 HB3 LYS 4 HB1 LYS 4 -1.935 -5.489 0.693
29 HG2 LYS 4 HG2 LYS 4 -4.143 -4.905 1.716
30 HG3 LYS 4 HG1 LYS 4 -4.788 -6.378 0.995
31 HD2 LYS 4 HD2 LYS 4 -2.484 -6.236 2.928
32 HD3 LYS 4 HD1 LYS 4 -4.136 -6.685 3.347
33 HE2 LYS 4 HE2 LYS 4 -2.370 -8.159 1.396
34 HE3 LYS 4 HE1 LYS 4 -2.651 -8.634 3.068
35 HZ1 LYS 4 HZ1 LYS 4 -4.721 -8.450 0.949
36 HZ2 LYS 4 HZ2 LYS 4 -5.002 -8.889 2.556
37 HZ3 LYS 4 HZ3 LYS 4 -4.056 -9.876 1.563
38 HA PRO 5 HA PRO 5 -0.539 -3.352 -3.647
39 HB2 PRO 5 HB2 PRO 5 1.572 -2.646 -1.745
40 HB3 PRO 5 HB1 PRO 5 0.732 -1.614 -2.919
41 HG2 PRO 5 HG2 PRO 5 0.381 -1.367 -0.265
42 HG3 PRO 5 HG1 PRO 5 -0.899 -1.017 -1.452
43 HD2 PRO 5 HD2 PRO 5 -0.537 -3.428 0.282
44 HD3 PRO 5 HD1 PRO 5 -2.031 -2.577 -0.176
45 H THR 6 HN THR 6 0.657 -4.733 -4.764
46 HA THR 6 HA THR 6 1.785 -7.064 -3.572
47 HB THR 6 HB THR 6 2.272 -6.014 -6.357
48 HG1 THR 6 HG1 THR 6 0.033 -7.243 -5.184
49 HG21 THR 6 HG21 THR 6 3.707 -7.877 -5.708
50 HG22 THR 6 HG22 THR 6 2.528 -8.398 -6.912
51 HG23 THR 6 HG23 THR 6 2.293 -8.807 -5.214
52 H LYS 7 HN LYS 7 2.833 -3.905 -4.039
53 HA LYS 7 HA LYS 7 5.561 -4.144 -4.522
54 HB2 LYS 7 HB2 LYS 7 4.127 -2.045 -2.892
55 HB3 LYS 7 HB1 LYS 7 5.732 -1.884 -3.592
56 HG2 LYS 7 HG2 LYS 7 4.794 -2.040 -5.828
57 HG3 LYS 7 HG1 LYS 7 3.177 -2.257 -5.148
58 HD2 LYS 7 HD2 LYS 7 3.328 -0.031 -4.117
59 HD3 LYS 7 HD1 LYS 7 4.938 0.177 -4.814
60 HE2 LYS 7 HE2 LYS 7 2.341 -0.146 -6.318
61 HE3 LYS 7 HE1 LYS 7 3.306 1.324 -6.181
62 HZ1 LYS 7 HZ1 LYS 7 4.100 -1.189 -7.554
63 HZ2 LYS 7 HZ2 LYS 7 5.111 0.148 -7.343
64 HZ3 LYS 7 HZ3 LYS 7 3.719 0.286 -8.288
65 HA PRO 8 HA PRO 8 7.136 -5.887 -0.815
66 HB2 PRO 8 HB2 PRO 8 9.708 -5.029 -0.964
67 HB3 PRO 8 HB1 PRO 8 9.058 -6.295 -2.018
68 HG2 PRO 8 HG2 PRO 8 9.492 -3.409 -2.591
69 HG3 PRO 8 HG1 PRO 8 9.815 -4.823 -3.615
70 HD2 PRO 8 HD2 PRO 8 7.606 -3.267 -3.922
71 HD3 PRO 8 HD1 PRO 8 7.619 -5.008 -4.286
72 H GLY 9 HN GLY 9 7.109 -5.318 1.260
73 HA2 GLY 9 HA2 GLY 9 7.882 -2.575 1.991
74 HA3 GLY 9 HA1 GLY 9 6.343 -3.223 2.530
75 H ASP 10 HN ASP 10 8.493 -5.722 2.446
76 HA ASP 10 HA ASP 10 8.727 -5.649 5.346
77 HB2 ASP 10 HB2 ASP 10 9.304 -7.853 3.359
78 HB3 ASP 10 HB1 ASP 10 9.527 -8.010 5.096
79 H ASN 11 HN ASN 11 10.981 -6.825 2.869
80 HA ASN 11 HA ASN 11 13.159 -5.606 4.431
81 HB2 ASN 11 HB2 ASN 11 13.126 -8.031 2.634
82 HB3 ASN 11 HB1 ASN 11 14.617 -7.276 3.179
83 HD21 ASN 11 HD21 ASN 11 15.278 -9.081 4.317
84 HD22 ASN 11 HD22 ASN 11 14.526 -9.578 5.791
85 H ALA 12 HN ALA 12 11.508 -4.295 2.411
86 HA ALA 12 HA ALA 12 13.122 -3.976 0.061
87 HB1 ALA 12 HB1 ALA 12 10.646 -3.761 0.087
88 HB2 ALA 12 HB2 ALA 12 11.481 -2.391 -0.641
89 HB3 ALA 12 HB3 ALA 12 10.832 -2.262 0.995
90 H THR 13 HN THR 13 13.958 -1.874 -0.623
91 HA THR 13 HA THR 13 15.644 -0.703 1.317
92 HB THR 13 HB THR 13 16.125 0.982 -0.473
93 HG1 THR 13 HG1 THR 13 14.792 -0.484 -2.393
94 HG21 THR 13 HG21 THR 13 17.181 -0.628 -1.996
95 HG22 THR 13 HG22 THR 13 16.207 -1.919 -1.288
96 HG23 THR 13 HG23 THR 13 17.407 -1.079 -0.305
97 HA PRO 14 HA PRO 14 13.213 2.296 3.352
98 HB2 PRO 14 HB2 PRO 14 14.928 4.490 3.228
99 HB3 PRO 14 HB1 PRO 14 15.002 3.204 4.445
100 HG2 PRO 14 HG2 PRO 14 16.597 3.565 1.974
101 HG3 PRO 14 HG1 PRO 14 17.090 2.958 3.575
102 HD2 PRO 14 HD2 PRO 14 16.687 1.275 1.534
103 HD3 PRO 14 HD1 PRO 14 16.221 0.838 3.191
104 H GLU 15 HN GLU 15 14.745 3.363 0.352
105 HA GLU 15 HA GLU 15 12.998 5.519 -0.159
106 HB2 GLU 15 HB2 GLU 15 15.119 5.354 -1.296
107 HB3 GLU 15 HB1 GLU 15 14.656 3.817 -2.015
108 HG2 GLU 15 HG2 GLU 15 12.909 4.932 -3.303
109 HG3 GLU 15 HG1 GLU 15 13.353 6.471 -2.568
110 H LYS 16 HN LYS 16 12.960 2.122 -1.076
111 HA LYS 16 HA LYS 16 10.631 2.261 -2.692
112 HB2 LYS 16 HB2 LYS 16 12.343 0.440 -2.815
113 HB3 LYS 16 HB1 LYS 16 11.797 -0.126 -1.242
114 HG2 LYS 16 HG2 LYS 16 10.816 -1.508 -2.915
115 HG3 LYS 16 HG1 LYS 16 9.543 -0.498 -2.228
116 HD2 LYS 16 HD2 LYS 16 9.608 0.972 -4.128
117 HD3 LYS 16 HD1 LYS 16 11.016 0.133 -4.783
118 HE2 LYS 16 HE2 LYS 16 9.638 -1.919 -4.974
119 HE3 LYS 16 HE1 LYS 16 8.238 -0.989 -4.442
120 HZ1 LYS 16 HZ1 LYS 16 9.847 -0.405 -6.867
121 HZ2 LYS 16 HZ2 LYS 16 8.459 0.417 -6.371
122 HZ3 LYS 16 HZ3 LYS 16 8.354 -1.195 -6.860
123 H LEU 17 HN LEU 17 11.273 1.564 0.694
124 HA LEU 17 HA LEU 17 8.702 0.799 1.467
125 HB2 LEU 17 HB2 LEU 17 10.846 2.226 3.021
126 HB3 LEU 17 HB1 LEU 17 9.393 1.566 3.739
127 HG LEU 17 HG LEU 17 11.573 0.001 2.360
128 HD11 LEU 17 HD11 LEU 17 10.705 0.080 5.244
129 HD12 LEU 17 HD12 LEU 17 12.157 0.833 4.591
130 HD13 LEU 17 HD13 LEU 17 11.987 -0.920 4.565
131 HD21 LEU 17 HD21 LEU 17 9.462 -1.043 1.904
132 HD22 LEU 17 HD22 LEU 17 8.971 -0.886 3.591
133 HD23 LEU 17 HD23 LEU 17 10.291 -1.972 3.154
134 H ALA 18 HN ALA 18 10.170 3.985 1.143
135 HA ALA 18 HA ALA 18 8.081 5.479 2.262
136 HB1 ALA 18 HB1 ALA 18 10.005 6.269 0.084
137 HB2 ALA 18 HB2 ALA 18 10.291 6.413 1.819
138 HB3 ALA 18 HB3 ALA 18 9.027 7.374 1.049
139 H LYS 19 HN LYS 19 8.681 4.374 -1.042
140 HA LYS 19 HA LYS 19 6.365 5.586 -2.146
141 HB2 LYS 19 HB2 LYS 19 8.317 4.874 -3.496
142 HB3 LYS 19 HB1 LYS 19 7.920 3.199 -3.157
143 HG2 LYS 19 HG2 LYS 19 7.164 3.852 -5.370
144 HG3 LYS 19 HG1 LYS 19 5.797 3.453 -4.328
145 HD2 LYS 19 HD2 LYS 19 5.380 5.816 -3.941
146 HD3 LYS 19 HD1 LYS 19 6.785 6.243 -4.918
147 HE2 LYS 19 HE2 LYS 19 5.736 5.248 -6.879
148 HE3 LYS 19 HE1 LYS 19 4.346 4.768 -5.906
149 HZ1 LYS 19 HZ1 LYS 19 3.865 7.086 -5.491
150 HZ2 LYS 19 HZ2 LYS 19 3.928 6.802 -7.156
151 HZ3 LYS 19 HZ3 LYS 19 5.221 7.565 -6.379
152 H TYR 20 HN TYR 20 7.079 2.400 -0.809
153 HA TYR 20 HA TYR 20 4.599 1.204 -1.340
154 HB2 TYR 20 HB2 TYR 20 6.435 -0.174 -0.606
155 HB3 TYR 20 HB1 TYR 20 6.569 0.724 0.905
156 HD1 TYR 20 HD1 TYR 20 4.250 -1.472 -1.013
157 HD2 TYR 20 HD2 TYR 20 5.400 0.004 2.810
158 HE1 TYR 20 HE1 TYR 20 2.747 -3.094 0.057
159 HE2 TYR 20 HE2 TYR 20 3.894 -1.615 3.890
160 HH TYR 20 HH TYR 20 1.958 -2.954 3.393
161 H GLN 21 HN GLN 21 5.718 3.094 1.450
162 HA GLN 21 HA GLN 21 3.342 2.894 2.941
163 HB2 GLN 21 HB2 GLN 21 5.508 4.992 2.925
164 HB3 GLN 21 HB1 GLN 21 4.178 4.988 4.074
165 HG2 GLN 21 HG2 GLN 21 4.882 2.840 4.935
166 HG3 GLN 21 HG1 GLN 21 6.164 2.755 3.729
167 HE21 GLN 21 HE21 GLN 21 7.747 2.576 5.318
168 HE22 GLN 21 HE22 GLN 21 8.238 3.924 6.281
169 H ALA 22 HN ALA 22 4.323 5.046 0.368
170 HA ALA 22 HA ALA 22 2.151 6.852 0.619
171 HB1 ALA 22 HB1 ALA 22 2.805 7.609 -1.621
172 HB2 ALA 22 HB2 ALA 22 3.886 6.222 -1.764
173 HB3 ALA 22 HB3 ALA 22 4.197 7.461 -0.548
174 H ASP 23 HN ASP 23 2.713 3.947 -1.316
175 HA ASP 23 HA ASP 23 0.195 4.117 -2.676
176 HB2 ASP 23 HB2 ASP 23 2.188 2.930 -3.615
177 HB3 ASP 23 HB1 ASP 23 2.001 1.703 -2.359
178 H LEU 24 HN LEU 24 1.433 2.428 0.143
179 HA LEU 24 HA LEU 24 -0.865 0.918 0.757
180 HB2 LEU 24 HB2 LEU 24 1.307 0.531 1.842
181 HB3 LEU 24 HB1 LEU 24 1.213 2.103 2.608
182 HG LEU 24 HG LEU 24 -0.819 1.316 3.836
183 HD11 LEU 24 HD11 LEU 24 -1.328 -1.028 3.917
184 HD12 LEU 24 HD12 LEU 24 -0.008 -1.394 2.808
185 HD13 LEU 24 HD13 LEU 24 -1.406 -0.484 2.242
186 HD21 LEU 24 HD21 LEU 24 1.693 -0.297 4.257
187 HD22 LEU 24 HD22 LEU 24 0.423 -0.019 5.448
188 HD23 LEU 24 HD23 LEU 24 1.398 1.331 4.867
189 H ALA 25 HN ALA 25 0.090 4.231 1.510
190 HA ALA 25 HA ALA 25 -2.022 4.891 3.227
191 HB1 ALA 25 HB1 ALA 25 -0.037 6.291 2.911
192 HB2 ALA 25 HB2 ALA 25 -1.527 7.206 2.672
193 HB3 ALA 25 HB3 ALA 25 -0.580 6.680 1.279
194 H LYS 26 HN LYS 26 -1.747 4.955 -0.283
195 HA LYS 26 HA LYS 26 -4.294 6.006 -0.844
196 HB2 LYS 26 HB2 LYS 26 -2.534 5.841 -2.540
197 HB3 LYS 26 HB1 LYS 26 -2.587 4.091 -2.451
198 HG2 LYS 26 HG2 LYS 26 -3.733 5.017 -4.430
199 HG3 LYS 26 HG1 LYS 26 -4.782 4.042 -3.401
200 HD2 LYS 26 HD2 LYS 26 -5.782 6.019 -2.460
201 HD3 LYS 26 HD1 LYS 26 -4.636 7.053 -3.314
202 HE2 LYS 26 HE2 LYS 26 -6.900 6.934 -4.359
203 HE3 LYS 26 HE1 LYS 26 -5.577 6.473 -5.428
204 HZ1 LYS 26 HZ1 LYS 26 -7.556 4.997 -5.520
205 HZ2 LYS 26 HZ2 LYS 26 -7.235 4.512 -3.928
206 HZ3 LYS 26 HZ3 LYS 26 -6.116 4.192 -5.160
207 H TYR 27 HN TYR 27 -3.139 2.694 -0.395
208 HA TYR 27 HA TYR 27 -5.583 1.374 -0.833
209 HB2 TYR 27 HB2 TYR 27 -3.609 0.046 -0.808
210 HB3 TYR 27 HB1 TYR 27 -3.140 0.648 0.772
211 HD1 TYR 27 HD1 TYR 27 -5.648 -1.463 -0.969
212 HD2 TYR 27 HD2 TYR 27 -3.797 -0.494 2.736
213 HE1 TYR 27 HE1 TYR 27 -6.728 -3.404 0.070
214 HE2 TYR 27 HE2 TYR 27 -4.874 -2.438 3.783
215 HH TYR 27 HH TYR 27 -6.719 -3.920 3.475
216 H GLN 28 HN GLN 28 -4.166 2.785 2.072
217 HA GLN 28 HA GLN 28 -6.057 1.854 3.917
218 HB2 GLN 28 HB2 GLN 28 -4.455 4.424 3.975
219 HB3 GLN 28 HB1 GLN 28 -5.325 3.749 5.345
220 HG2 GLN 28 HG2 GLN 28 -3.881 1.774 5.302
221 HG3 GLN 28 HG1 GLN 28 -3.015 2.436 3.914
222 HE21 GLN 28 HE21 GLN 28 -1.985 1.719 6.526
223 HE22 GLN 28 HE22 GLN 28 -1.282 3.156 7.187
224 H LYS 29 HN LYS 29 -5.998 4.735 1.881
225 HA LYS 29 HA LYS 29 -8.337 5.942 2.862
226 HB2 LYS 29 HB2 LYS 29 -6.775 7.163 1.451
227 HB3 LYS 29 HB1 LYS 29 -7.102 6.079 0.103
228 HG2 LYS 29 HG2 LYS 29 -9.430 6.861 0.058
229 HG3 LYS 29 HG1 LYS 29 -9.071 7.969 1.382
230 HD2 LYS 29 HD2 LYS 29 -7.667 8.008 -1.287
231 HD3 LYS 29 HD1 LYS 29 -9.053 9.020 -0.885
232 HE2 LYS 29 HE2 LYS 29 -6.402 9.012 0.554
233 HE3 LYS 29 HE1 LYS 29 -6.932 10.219 -0.614
234 HZ1 LYS 29 HZ1 LYS 29 -8.227 9.646 1.995
235 HZ2 LYS 29 HZ2 LYS 29 -8.758 10.788 0.876
236 HZ3 LYS 29 HZ3 LYS 29 -7.267 10.990 1.645
237 H ASP 30 HN ASP 30 -7.828 3.777 0.089
238 HA ASP 30 HA ASP 30 -10.521 3.540 -0.668
239 HB2 ASP 30 HB2 ASP 30 -8.138 1.732 -1.031
240 HB3 ASP 30 HB1 ASP 30 -9.736 1.272 -1.608
241 H LEU 31 HN LEU 31 -8.551 1.711 1.587
242 HA LEU 31 HA LEU 31 -10.384 -0.326 2.203
243 HB2 LEU 31 HB2 LEU 31 -7.948 -0.325 2.739
244 HB3 LEU 31 HB1 LEU 31 -8.255 0.876 3.977
245 HG LEU 31 HG LEU 31 -9.683 -0.758 5.172
246 HD11 LEU 31 HD11 LEU 31 -9.521 -3.131 4.532
247 HD12 LEU 31 HD12 LEU 31 -8.694 -2.658 3.049
248 HD13 LEU 31 HD13 LEU 31 -10.364 -2.164 3.324
249 HD21 LEU 31 HD21 LEU 31 -6.857 -1.608 4.572
250 HD22 LEU 31 HD22 LEU 31 -7.816 -2.168 5.942
251 HD23 LEU 31 HD23 LEU 31 -7.375 -0.466 5.812
252 H ALA 32 HN ALA 32 -9.717 2.757 3.810
253 HA ALA 32 HA ALA 32 -11.622 2.512 5.859
254 HB1 ALA 32 HB1 ALA 32 -11.357 4.910 6.140
255 HB2 ALA 32 HB2 ALA 32 -10.570 5.018 4.566
256 HB3 ALA 32 HB3 ALA 32 -9.791 4.141 5.883
257 H ASP 33 HN ASP 33 -11.776 3.844 2.614
258 HA ASP 33 HA ASP 33 -14.395 4.885 2.774
259 HB2 ASP 33 HB2 ASP 33 -12.865 5.591 1.020
260 HB3 ASP 33 HB1 ASP 33 -12.785 3.953 0.386
261 H TYR 34 HN TYR 34 -13.107 1.742 1.964
262 HA TYR 34 HA TYR 34 -15.529 0.615 0.985
263 HB2 TYR 34 HB2 TYR 34 -13.275 -0.270 0.452
264 HB3 TYR 34 HB1 TYR 34 -13.089 -0.760 2.130
265 HD1 TYR 34 HD1 TYR 34 -15.131 -1.330 -0.909
266 HD2 TYR 34 HD2 TYR 34 -13.889 -2.839 2.863
267 HE1 TYR 34 HE1 TYR 34 -16.164 -3.490 -1.443
268 HE2 TYR 34 HE2 TYR 34 -14.919 -5.005 2.344
269 HH TYR 34 HH TYR 34 -16.769 -5.851 0.862
270 HN1 NH2 35 HN1 NH2 35 -14.029 0.881 4.122
271 HN2 NH2 35 HN2 NH2 35 -15.313 0.162 5.028
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 -14.125 0.557 -4.575
2 H2 ACE 0 HA2 ACE 0 -13.117 0.170 -3.183
3 H3 ACE 0 HA3 ACE 0 -14.653 -0.673 -3.387
4 HA PRO 1 HA PRO 1 -12.767 -2.380 -2.094
5 HB2 PRO 1 HB2 PRO 1 -11.558 -4.846 -2.622
6 HB3 PRO 1 HB1 PRO 1 -13.226 -4.622 -2.065
7 HG2 PRO 1 HG2 PRO 1 -12.204 -5.090 -4.815
8 HG3 PRO 1 HG1 PRO 1 -13.675 -5.704 -4.028
9 HD2 PRO 1 HD2 PRO 1 -13.803 -3.694 -5.792
10 HD3 PRO 1 HD1 PRO 1 -14.837 -3.710 -4.346
11 HA PRO 2 HA PRO 2 -8.629 -0.902 -2.769
12 HB2 PRO 2 HB2 PRO 2 -7.638 -1.278 -0.252
13 HB3 PRO 2 HB1 PRO 2 -8.743 0.049 -0.672
14 HG2 PRO 2 HG2 PRO 2 -9.343 -2.563 0.627
15 HG3 PRO 2 HG1 PRO 2 -9.942 -0.942 1.022
16 HD2 PRO 2 HD2 PRO 2 -11.432 -2.694 -0.381
17 HD3 PRO 2 HD1 PRO 2 -11.501 -0.946 -0.681
18 H THR 3 HN THR 3 -6.795 -1.812 -3.490
19 HA THR 3 HA THR 3 -6.424 -4.674 -3.065
20 HB THR 3 HB THR 3 -4.984 -2.853 -4.994
21 HG1 THR 3 HG1 THR 3 -7.402 -4.314 -5.184
22 HG21 THR 3 HG21 THR 3 -5.276 -5.858 -4.925
23 HG22 THR 3 HG22 THR 3 -3.833 -4.963 -4.451
24 HG23 THR 3 HG23 THR 3 -4.383 -4.923 -6.126
25 H LYS 4 HN LYS 4 -4.896 -5.432 -1.775
26 HA LYS 4 HA LYS 4 -3.236 -3.779 -0.217
27 HB2 LYS 4 HB2 LYS 4 -3.087 -6.740 -0.808
28 HB3 LYS 4 HB1 LYS 4 -2.103 -5.927 0.408
29 HG2 LYS 4 HG2 LYS 4 -4.036 -5.366 1.689
30 HG3 LYS 4 HG1 LYS 4 -5.110 -5.945 0.415
31 HD2 LYS 4 HD2 LYS 4 -4.227 -8.213 0.723
32 HD3 LYS 4 HD1 LYS 4 -3.180 -7.619 2.013
33 HE2 LYS 4 HE2 LYS 4 -5.084 -7.013 3.350
34 HE3 LYS 4 HE1 LYS 4 -6.185 -7.427 2.039
35 HZ1 LYS 4 HZ1 LYS 4 -6.086 -9.175 3.693
36 HZ2 LYS 4 HZ2 LYS 4 -4.417 -9.331 3.475
37 HZ3 LYS 4 HZ3 LYS 4 -5.475 -9.728 2.217
38 HA PRO 5 HA PRO 5 0.018 -2.791 -3.054
39 HB2 PRO 5 HB2 PRO 5 2.062 -2.711 -1.149
40 HB3 PRO 5 HB1 PRO 5 1.021 -1.350 -1.611
41 HG2 PRO 5 HG2 PRO 5 0.829 -3.166 0.729
42 HG3 PRO 5 HG1 PRO 5 0.456 -1.432 0.594
43 HD2 PRO 5 HD2 PRO 5 -1.494 -3.277 0.673
44 HD3 PRO 5 HD1 PRO 5 -1.637 -1.815 -0.333
45 H THR 6 HN THR 6 0.606 -4.365 -4.346
46 HA THR 6 HA THR 6 1.587 -6.893 -3.403
47 HB THR 6 HB THR 6 1.605 -5.884 -6.242
48 HG1 THR 6 HG1 THR 6 -0.526 -6.661 -4.584
49 HG21 THR 6 HG21 THR 6 2.770 -7.995 -5.848
50 HG22 THR 6 HG22 THR 6 1.297 -8.258 -6.780
51 HG23 THR 6 HG23 THR 6 1.336 -8.648 -5.061
52 H LYS 7 HN LYS 7 2.887 -3.868 -4.179
53 HA LYS 7 HA LYS 7 5.429 -4.498 -5.159
54 HB2 LYS 7 HB2 LYS 7 4.562 -2.171 -3.440
55 HB3 LYS 7 HB1 LYS 7 6.082 -2.264 -4.314
56 HG2 LYS 7 HG2 LYS 7 3.347 -2.297 -5.576
57 HG3 LYS 7 HG1 LYS 7 4.418 -0.896 -5.478
58 HD2 LYS 7 HD2 LYS 7 6.086 -2.047 -6.831
59 HD3 LYS 7 HD1 LYS 7 5.076 -3.493 -6.879
60 HE2 LYS 7 HE2 LYS 7 4.389 -0.794 -8.043
61 HE3 LYS 7 HE1 LYS 7 4.877 -2.225 -8.950
62 HZ1 LYS 7 HZ1 LYS 7 2.504 -1.991 -9.018
63 HZ2 LYS 7 HZ2 LYS 7 2.406 -1.919 -7.332
64 HZ3 LYS 7 HZ3 LYS 7 2.888 -3.354 -8.090
65 HA PRO 8 HA PRO 8 7.705 -6.353 -1.853
66 HB2 PRO 8 HB2 PRO 8 9.813 -4.341 -2.440
67 HB3 PRO 8 HB1 PRO 8 9.922 -6.110 -2.383
68 HG2 PRO 8 HG2 PRO 8 9.934 -4.788 -4.694
69 HG3 PRO 8 HG1 PRO 8 9.164 -6.378 -4.521
70 HD2 PRO 8 HD2 PRO 8 7.901 -3.693 -4.767
71 HD3 PRO 8 HD1 PRO 8 7.299 -5.284 -5.279
72 H GLY 9 HN GLY 9 7.454 -6.041 0.234
73 HA2 GLY 9 HA2 GLY 9 7.911 -3.347 1.340
74 HA3 GLY 9 HA1 GLY 9 6.491 -4.278 1.796
75 H ASP 10 HN ASP 10 9.127 -6.262 1.260
76 HA ASP 10 HA ASP 10 9.496 -6.575 4.152
77 HB2 ASP 10 HB2 ASP 10 10.228 -8.489 1.927
78 HB3 ASP 10 HB1 ASP 10 10.368 -8.808 3.649
79 H ASN 11 HN ASN 11 11.527 -7.098 1.280
80 HA ASN 11 HA ASN 11 13.855 -6.335 2.869
81 HB2 ASN 11 HB2 ASN 11 15.199 -7.388 1.147
82 HB3 ASN 11 HB1 ASN 11 13.906 -8.480 1.623
83 HD21 ASN 11 HD21 ASN 11 12.265 -8.946 0.180
84 HD22 ASN 11 HD22 ASN 11 12.362 -8.540 -1.497
85 H ALA 12 HN ALA 12 11.760 -4.697 1.053
86 HA ALA 12 HA ALA 12 13.398 -3.318 -0.793
87 HB1 ALA 12 HB1 ALA 12 10.793 -2.435 0.436
88 HB2 ALA 12 HB2 ALA 12 10.957 -3.446 -0.999
89 HB3 ALA 12 HB3 ALA 12 11.537 -1.781 -1.022
90 H THR 13 HN THR 13 14.446 -1.380 -0.645
91 HA THR 13 HA THR 13 15.594 -0.683 1.823
92 HB THR 13 HB THR 13 16.471 1.305 0.575
93 HG1 THR 13 HG1 THR 13 15.995 1.329 -1.703
94 HG21 THR 13 HG21 THR 13 17.836 -0.008 -0.978
95 HG22 THR 13 HG22 THR 13 16.715 -1.362 -0.811
96 HG23 THR 13 HG23 THR 13 17.663 -0.824 0.576
97 HA PRO 14 HA PRO 14 12.853 2.152 3.798
98 HB2 PRO 14 HB2 PRO 14 14.587 4.299 4.243
99 HB3 PRO 14 HB1 PRO 14 14.407 2.893 5.305
100 HG2 PRO 14 HG2 PRO 14 16.466 3.456 3.248
101 HG3 PRO 14 HG1 PRO 14 16.619 2.659 4.835
102 HD2 PRO 14 HD2 PRO 14 16.606 1.220 2.581
103 HD3 PRO 14 HD1 PRO 14 15.807 0.628 4.049
104 H GLU 15 HN GLU 15 14.971 3.544 1.339
105 HA GLU 15 HA GLU 15 13.396 5.807 0.748
106 HB2 GLU 15 HB2 GLU 15 15.770 5.555 0.109
107 HB3 GLU 15 HB1 GLU 15 15.317 4.294 -1.028
108 HG2 GLU 15 HG2 GLU 15 13.928 5.963 -2.240
109 HG3 GLU 15 HG1 GLU 15 14.556 7.202 -1.153
110 H LYS 16 HN LYS 16 13.493 2.536 -0.517
111 HA LYS 16 HA LYS 16 11.614 2.988 -2.621
112 HB2 LYS 16 HB2 LYS 16 13.401 1.231 -2.626
113 HB3 LYS 16 HB1 LYS 16 12.506 0.384 -1.376
114 HG2 LYS 16 HG2 LYS 16 10.709 -0.076 -2.855
115 HG3 LYS 16 HG1 LYS 16 11.372 1.003 -4.088
116 HD2 LYS 16 HD2 LYS 16 13.343 -0.457 -4.277
117 HD3 LYS 16 HD1 LYS 16 12.639 -1.545 -3.083
118 HE2 LYS 16 HE2 LYS 16 11.380 -0.845 -5.729
119 HE3 LYS 16 HE1 LYS 16 12.320 -2.301 -5.420
120 HZ1 LYS 16 HZ1 LYS 16 9.913 -2.651 -5.254
121 HZ2 LYS 16 HZ2 LYS 16 9.846 -1.560 -3.966
122 HZ3 LYS 16 HZ3 LYS 16 10.718 -3.000 -3.810
123 H LEU 17 HN LEU 17 11.492 1.721 0.658
124 HA LEU 17 HA LEU 17 8.847 0.821 0.654
125 HB2 LEU 17 HB2 LEU 17 10.588 1.865 2.869
126 HB3 LEU 17 HB1 LEU 17 8.984 1.232 3.152
127 HG LEU 17 HG LEU 17 11.316 -0.305 2.008
128 HD11 LEU 17 HD11 LEU 17 9.938 -0.483 4.682
129 HD12 LEU 17 HD12 LEU 17 11.546 0.173 4.383
130 HD13 LEU 17 HD13 LEU 17 11.230 -1.539 4.108
131 HD21 LEU 17 HD21 LEU 17 8.486 -1.142 2.616
132 HD22 LEU 17 HD22 LEU 17 9.808 -2.260 2.289
133 HD23 LEU 17 HD23 LEU 17 9.284 -1.132 1.042
134 H ALA 18 HN ALA 18 10.121 4.026 0.704
135 HA ALA 18 HA ALA 18 7.976 5.369 1.924
136 HB1 ALA 18 HB1 ALA 18 9.824 6.375 -0.228
137 HB2 ALA 18 HB2 ALA 18 10.157 6.406 1.503
138 HB3 ALA 18 HB3 ALA 18 8.833 7.366 0.842
139 H LYS 19 HN LYS 19 8.583 4.393 -1.403
140 HA LYS 19 HA LYS 19 6.195 5.589 -2.429
141 HB2 LYS 19 HB2 LYS 19 8.246 5.109 -3.774
142 HB3 LYS 19 HB1 LYS 19 7.885 3.397 -3.638
143 HG2 LYS 19 HG2 LYS 19 5.956 3.592 -4.970
144 HG3 LYS 19 HG1 LYS 19 5.952 5.352 -4.842
145 HD2 LYS 19 HD2 LYS 19 6.752 4.618 -7.037
146 HD3 LYS 19 HD1 LYS 19 8.017 5.461 -6.142
147 HE2 LYS 19 HE2 LYS 19 8.948 3.277 -5.469
148 HE3 LYS 19 HE1 LYS 19 7.719 2.478 -6.444
149 HZ1 LYS 19 HZ1 LYS 19 9.767 2.616 -7.660
150 HZ2 LYS 19 HZ2 LYS 19 9.849 4.288 -7.440
151 HZ3 LYS 19 HZ3 LYS 19 8.627 3.623 -8.397
152 H TYR 20 HN TYR 20 7.122 2.465 -1.179
153 HA TYR 20 HA TYR 20 4.761 1.041 -1.754
154 HB2 TYR 20 HB2 TYR 20 6.780 -0.093 -1.012
155 HB3 TYR 20 HB1 TYR 20 6.734 0.767 0.523
156 HD1 TYR 20 HD1 TYR 20 5.092 -1.844 -1.501
157 HD2 TYR 20 HD2 TYR 20 5.368 -0.003 2.324
158 HE1 TYR 20 HE1 TYR 20 3.778 -3.675 -0.534
159 HE2 TYR 20 HE2 TYR 20 4.054 -1.837 3.300
160 HH TYR 20 HH TYR 20 2.417 -3.530 2.559
161 H GLN 21 HN GLN 21 5.719 3.047 1.001
162 HA GLN 21 HA GLN 21 3.397 2.692 2.542
163 HB2 GLN 21 HB2 GLN 21 5.385 4.954 2.420
164 HB3 GLN 21 HB1 GLN 21 4.070 4.897 3.583
165 HG2 GLN 21 HG2 GLN 21 4.942 2.867 4.540
166 HG3 GLN 21 HG1 GLN 21 6.199 2.793 3.307
167 HE21 GLN 21 HE21 GLN 21 7.819 2.804 4.875
168 HE22 GLN 21 HE22 GLN 21 8.242 4.244 5.738
169 H ALA 22 HN ALA 22 4.146 4.855 -0.102
170 HA ALA 22 HA ALA 22 1.896 6.528 0.131
171 HB1 ALA 22 HB1 ALA 22 3.447 5.784 -2.345
172 HB2 ALA 22 HB2 ALA 22 3.852 7.089 -1.232
173 HB3 ALA 22 HB3 ALA 22 2.363 7.164 -2.175
174 H ASP 23 HN ASP 23 2.432 3.451 -1.487
175 HA ASP 23 HA ASP 23 -0.157 3.370 -2.718
176 HB2 ASP 23 HB2 ASP 23 1.881 2.115 -3.542
177 HB3 ASP 23 HB1 ASP 23 1.691 1.033 -2.162
178 H LEU 24 HN LEU 24 1.312 2.056 0.197
179 HA LEU 24 HA LEU 24 -0.910 0.601 1.151
180 HB2 LEU 24 HB2 LEU 24 1.438 0.406 1.990
181 HB3 LEU 24 HB1 LEU 24 1.276 1.983 2.724
182 HG LEU 24 HG LEU 24 1.072 -0.095 4.216
183 HD11 LEU 24 HD11 LEU 24 -0.585 0.992 5.644
184 HD12 LEU 24 HD12 LEU 24 -1.046 2.038 4.301
185 HD13 LEU 24 HD13 LEU 24 0.575 2.147 4.984
186 HD21 LEU 24 HD21 LEU 24 -1.684 -0.088 3.000
187 HD22 LEU 24 HD22 LEU 24 -1.179 -1.029 4.402
188 HD23 LEU 24 HD23 LEU 24 -0.471 -1.355 2.821
189 H ALA 25 HN ALA 25 0.057 3.975 1.468
190 HA ALA 25 HA ALA 25 -1.936 4.838 3.230
191 HB1 ALA 25 HB1 ALA 25 -0.646 6.370 0.980
192 HB2 ALA 25 HB2 ALA 25 0.011 6.182 2.607
193 HB3 ALA 25 HB3 ALA 25 -1.496 7.065 2.361
194 H LYS 26 HN LYS 26 -1.921 4.529 -0.293
195 HA LYS 26 HA LYS 26 -4.521 5.525 -0.736
196 HB2 LYS 26 HB2 LYS 26 -3.011 5.286 -2.605
197 HB3 LYS 26 HB1 LYS 26 -2.864 3.558 -2.324
198 HG2 LYS 26 HG2 LYS 26 -5.153 3.199 -2.956
199 HG3 LYS 26 HG1 LYS 26 -5.424 4.936 -3.100
200 HD2 LYS 26 HD2 LYS 26 -3.974 5.081 -4.986
201 HD3 LYS 26 HD1 LYS 26 -3.407 3.426 -4.751
202 HE2 LYS 26 HE2 LYS 26 -5.064 3.676 -6.596
203 HE3 LYS 26 HE1 LYS 26 -5.549 2.536 -5.344
204 HZ1 LYS 26 HZ1 LYS 26 -6.491 5.348 -5.536
205 HZ2 LYS 26 HZ2 LYS 26 -7.011 4.191 -4.410
206 HZ3 LYS 26 HZ3 LYS 26 -7.363 3.994 -6.054
207 H TYR 27 HN TYR 27 -3.280 2.294 -0.047
208 HA TYR 27 HA TYR 27 -5.693 0.888 -0.280
209 HB2 TYR 27 HB2 TYR 27 -3.555 -0.282 -0.078
210 HB3 TYR 27 HB1 TYR 27 -3.334 0.362 1.543
211 HD1 TYR 27 HD1 TYR 27 -5.382 -1.927 -0.501
212 HD2 TYR 27 HD2 TYR 27 -4.328 -0.709 3.436
213 HE1 TYR 27 HE1 TYR 27 -6.547 -3.881 0.410
214 HE2 TYR 27 HE2 TYR 27 -5.497 -2.665 4.358
215 HH TYR 27 HH TYR 27 -7.215 -4.244 3.758
216 H GLN 28 HN GLN 28 -4.243 2.594 2.454
217 HA GLN 28 HA GLN 28 -6.186 1.990 4.383
218 HB2 GLN 28 HB2 GLN 28 -4.473 4.466 4.068
219 HB3 GLN 28 HB1 GLN 28 -5.424 4.098 5.498
220 HG2 GLN 28 HG2 GLN 28 -4.086 2.113 5.911
221 HG3 GLN 28 HG1 GLN 28 -3.171 2.404 4.430
222 HE21 GLN 28 HE21 GLN 28 -2.268 2.257 7.218
223 HE22 GLN 28 HE22 GLN 28 -1.457 3.751 7.524
224 H LYS 29 HN LYS 29 -5.927 4.698 2.123
225 HA LYS 29 HA LYS 29 -8.184 6.102 3.025
226 HB2 LYS 29 HB2 LYS 29 -6.397 7.095 1.651
227 HB3 LYS 29 HB1 LYS 29 -6.918 6.121 0.280
228 HG2 LYS 29 HG2 LYS 29 -9.016 7.280 0.180
229 HG3 LYS 29 HG1 LYS 29 -8.645 8.161 1.664
230 HD2 LYS 29 HD2 LYS 29 -6.735 9.219 0.541
231 HD3 LYS 29 HD1 LYS 29 -7.142 8.359 -0.944
232 HE2 LYS 29 HE2 LYS 29 -9.248 9.506 -1.092
233 HE3 LYS 29 HE1 LYS 29 -8.992 10.263 0.479
234 HZ1 LYS 29 HZ1 LYS 29 -7.139 11.481 -0.421
235 HZ2 LYS 29 HZ2 LYS 29 -8.509 11.758 -1.378
236 HZ3 LYS 29 HZ3 LYS 29 -7.299 10.707 -1.917
237 H ASP 30 HN ASP 30 -7.795 3.856 0.291
238 HA ASP 30 HA ASP 30 -10.525 3.892 -0.446
239 HB2 ASP 30 HB2 ASP 30 -8.229 2.073 -1.057
240 HB3 ASP 30 HB1 ASP 30 -9.869 1.569 -1.471
241 H LEU 31 HN LEU 31 -8.697 1.972 1.840
242 HA LEU 31 HA LEU 31 -10.666 0.036 2.416
243 HB2 LEU 31 HB2 LEU 31 -8.253 -0.052 3.101
244 HB3 LEU 31 HB1 LEU 31 -8.598 1.175 4.301
245 HG LEU 31 HG LEU 31 -10.188 -0.396 5.391
246 HD11 LEU 31 HD11 LEU 31 -10.015 -2.785 4.805
247 HD12 LEU 31 HD12 LEU 31 -9.064 -2.348 3.387
248 HD13 LEU 31 HD13 LEU 31 -10.742 -1.822 3.522
249 HD21 LEU 31 HD21 LEU 31 -8.443 -1.790 6.384
250 HD22 LEU 31 HD22 LEU 31 -7.901 -0.123 6.184
251 HD23 LEU 31 HD23 LEU 31 -7.355 -1.369 5.060
252 H ALA 32 HN ALA 32 -9.997 3.211 3.787
253 HA ALA 32 HA ALA 32 -11.992 3.194 5.770
254 HB1 ALA 32 HB1 ALA 32 -11.710 5.617 5.785
255 HB2 ALA 32 HB2 ALA 32 -10.821 5.523 4.264
256 HB3 ALA 32 HB3 ALA 32 -10.150 4.795 5.724
257 H ASP 33 HN ASP 33 -12.006 4.055 2.377
258 HA ASP 33 HA ASP 33 -14.652 5.137 2.375
259 HB2 ASP 33 HB2 ASP 33 -13.076 5.874 0.692
260 HB3 ASP 33 HB1 ASP 33 -12.850 4.225 0.123
261 H TYR 34 HN TYR 34 -13.228 2.011 1.675
262 HA TYR 34 HA TYR 34 -15.689 0.882 0.685
263 HB2 TYR 34 HB2 TYR 34 -13.365 0.224 -0.072
264 HB3 TYR 34 HB1 TYR 34 -13.170 -0.575 1.484
265 HD1 TYR 34 HD1 TYR 34 -15.510 -0.505 -1.435
266 HD2 TYR 34 HD2 TYR 34 -13.702 -2.799 1.653
267 HE1 TYR 34 HE1 TYR 34 -16.563 -2.535 -2.333
268 HE2 TYR 34 HE2 TYR 34 -14.745 -4.830 0.769
269 HH TYR 34 HH TYR 34 -16.230 -4.961 -2.298
270 HN1 NH2 35 HN1 NH2 35 -17.264 0.632 2.126
271 HN2 NH2 35 HN2 NH2 35 -17.110 -0.126 3.671
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 -13.072 -0.114 -2.653
2 H2 ACE 0 HA2 ACE 0 -14.405 -1.269 -2.644
3 H3 ACE 0 HA3 ACE 0 -14.474 0.107 -3.741
4 HA PRO 1 HA PRO 1 -12.293 -2.815 -2.013
5 HB2 PRO 1 HB2 PRO 1 -10.838 -4.954 -3.056
6 HB3 PRO 1 HB1 PRO 1 -12.444 -5.075 -2.320
7 HG2 PRO 1 HG2 PRO 1 -11.690 -4.982 -5.184
8 HG3 PRO 1 HG1 PRO 1 -12.982 -5.892 -4.372
9 HD2 PRO 1 HD2 PRO 1 -13.512 -3.670 -5.794
10 HD3 PRO 1 HD1 PRO 1 -14.417 -4.077 -4.319
11 HA PRO 2 HA PRO 2 -8.617 -0.452 -2.831
12 HB2 PRO 2 HB2 PRO 2 -7.294 -1.134 -0.489
13 HB3 PRO 2 HB1 PRO 2 -8.498 0.162 -0.628
14 HG2 PRO 2 HG2 PRO 2 -8.816 -2.602 0.401
15 HG3 PRO 2 HG1 PRO 2 -9.542 -1.088 0.968
16 HD2 PRO 2 HD2 PRO 2 -10.931 -2.861 -0.495
17 HD3 PRO 2 HD1 PRO 2 -11.195 -1.113 -0.644
18 H THR 3 HN THR 3 -6.563 -0.821 -3.609
19 HA THR 3 HA THR 3 -5.946 -3.551 -4.270
20 HB THR 3 HB THR 3 -4.324 -1.067 -4.833
21 HG1 THR 3 HG1 THR 3 -6.710 -1.629 -5.723
22 HG21 THR 3 HG21 THR 3 -4.337 -3.798 -6.118
23 HG22 THR 3 HG22 THR 3 -3.063 -3.135 -5.095
24 HG23 THR 3 HG23 THR 3 -3.395 -2.413 -6.670
25 H LYS 4 HN LYS 4 -4.938 -4.837 -2.895
26 HA LYS 4 HA LYS 4 -3.445 -3.975 -0.666
27 HB2 LYS 4 HB2 LYS 4 -3.483 -6.625 -2.118
28 HB3 LYS 4 HB1 LYS 4 -2.658 -6.356 -0.585
29 HG2 LYS 4 HG2 LYS 4 -4.774 -5.827 0.482
30 HG3 LYS 4 HG1 LYS 4 -5.615 -6.022 -1.055
31 HD2 LYS 4 HD2 LYS 4 -4.020 -8.206 0.273
32 HD3 LYS 4 HD1 LYS 4 -5.757 -7.991 0.494
33 HE2 LYS 4 HE2 LYS 4 -4.412 -8.402 -2.175
34 HE3 LYS 4 HE1 LYS 4 -5.151 -9.688 -1.225
35 HZ1 LYS 4 HZ1 LYS 4 -6.579 -7.298 -2.261
36 HZ2 LYS 4 HZ2 LYS 4 -7.271 -8.576 -1.399
37 HZ3 LYS 4 HZ3 LYS 4 -6.639 -8.844 -2.941
38 HA PRO 5 HA PRO 5 0.095 -2.421 -2.805
39 HB2 PRO 5 HB2 PRO 5 1.876 -2.745 -0.670
40 HB3 PRO 5 HB1 PRO 5 0.866 -1.318 -0.977
41 HG2 PRO 5 HG2 PRO 5 0.406 -3.594 0.875
42 HG3 PRO 5 HG1 PRO 5 0.029 -1.867 1.075
43 HD2 PRO 5 HD2 PRO 5 -1.897 -3.629 0.501
44 HD3 PRO 5 HD1 PRO 5 -1.900 -1.999 -0.220
45 H THR 6 HN THR 6 0.828 -3.712 -4.321
46 HA THR 6 HA THR 6 1.823 -6.362 -3.805
47 HB THR 6 HB THR 6 2.005 -4.811 -6.380
48 HG1 THR 6 HG1 THR 6 -0.197 -5.794 -5.024
49 HG21 THR 6 HG21 THR 6 3.235 -6.924 -6.321
50 HG22 THR 6 HG22 THR 6 1.844 -7.039 -7.399
51 HG23 THR 6 HG23 THR 6 1.778 -7.764 -5.792
52 H LYS 7 HN LYS 7 3.072 -3.248 -3.753
53 HA LYS 7 HA LYS 7 5.697 -3.681 -4.703
54 HB2 LYS 7 HB2 LYS 7 4.778 -1.623 -2.687
55 HB3 LYS 7 HB1 LYS 7 6.225 -1.539 -3.682
56 HG2 LYS 7 HG2 LYS 7 4.782 -1.482 -5.691
57 HG3 LYS 7 HG1 LYS 7 3.369 -1.441 -4.634
58 HD2 LYS 7 HD2 LYS 7 4.287 0.651 -3.620
59 HD3 LYS 7 HD1 LYS 7 5.561 0.623 -4.841
60 HE2 LYS 7 HE2 LYS 7 2.591 0.878 -5.303
61 HE3 LYS 7 HE1 LYS 7 3.822 2.108 -5.580
62 HZ1 LYS 7 HZ1 LYS 7 3.120 1.035 -7.639
63 HZ2 LYS 7 HZ2 LYS 7 3.620 -0.468 -7.049
64 HZ3 LYS 7 HZ3 LYS 7 4.757 0.749 -7.331
65 HA PRO 8 HA PRO 8 7.658 -5.860 -1.419
66 HB2 PRO 8 HB2 PRO 8 10.108 -4.632 -1.339
67 HB3 PRO 8 HB1 PRO 8 9.633 -5.803 -2.583
68 HG2 PRO 8 HG2 PRO 8 9.658 -2.833 -2.704
69 HG3 PRO 8 HG1 PRO 8 10.168 -4.014 -3.927
70 HD2 PRO 8 HD2 PRO 8 7.789 -2.763 -4.085
71 HD3 PRO 8 HD1 PRO 8 7.996 -4.452 -4.606
72 H GLY 9 HN GLY 9 7.887 -5.780 0.732
73 HA2 GLY 9 HA2 GLY 9 8.156 -3.175 2.054
74 HA3 GLY 9 HA1 GLY 9 6.801 -4.211 2.477
75 H ASP 10 HN ASP 10 8.375 -6.656 2.168
76 HA ASP 10 HA ASP 10 9.408 -6.792 4.828
77 HB2 ASP 10 HB2 ASP 10 9.527 -8.818 2.584
78 HB3 ASP 10 HB1 ASP 10 9.970 -9.136 4.257
79 H ASN 11 HN ASN 11 10.870 -7.127 1.612
80 HA ASN 11 HA ASN 11 13.412 -6.285 2.821
81 HB2 ASN 11 HB2 ASN 11 13.587 -8.634 2.195
82 HB3 ASN 11 HB1 ASN 11 13.041 -8.261 0.562
83 HD21 ASN 11 HD21 ASN 11 15.679 -8.002 2.834
84 HD22 ASN 11 HD22 ASN 11 16.890 -7.588 1.671
85 H ALA 12 HN ALA 12 13.458 -4.179 2.284
86 HA ALA 12 HA ALA 12 13.887 -3.470 -0.452
87 HB1 ALA 12 HB1 ALA 12 12.050 -1.917 -0.699
88 HB2 ALA 12 HB2 ALA 12 11.441 -2.341 0.901
89 HB3 ALA 12 HB3 ALA 12 11.426 -3.536 -0.396
90 H THR 13 HN THR 13 14.568 -1.269 -0.690
91 HA THR 13 HA THR 13 15.942 -0.209 1.585
92 HB THR 13 HB THR 13 16.548 1.635 0.021
93 HG1 THR 13 HG1 THR 13 15.903 1.054 -2.275
94 HG21 THR 13 HG21 THR 13 16.901 -1.142 -1.099
95 HG22 THR 13 HG22 THR 13 17.900 -0.404 0.153
96 HG23 THR 13 HG23 THR 13 17.898 0.264 -1.480
97 HA PRO 14 HA PRO 14 12.907 2.509 3.278
98 HB2 PRO 14 HB2 PRO 14 14.387 4.849 3.532
99 HB3 PRO 14 HB1 PRO 14 14.402 3.513 4.696
100 HG2 PRO 14 HG2 PRO 14 16.328 4.158 2.535
101 HG3 PRO 14 HG1 PRO 14 16.621 3.538 4.181
102 HD2 PRO 14 HD2 PRO 14 16.738 1.906 2.060
103 HD3 PRO 14 HD1 PRO 14 16.068 1.356 3.609
104 H GLU 15 HN GLU 15 14.797 3.623 0.548
105 HA GLU 15 HA GLU 15 13.150 5.738 -0.293
106 HB2 GLU 15 HB2 GLU 15 15.407 5.405 -1.154
107 HB3 GLU 15 HB1 GLU 15 14.926 3.880 -1.886
108 HG2 GLU 15 HG2 GLU 15 13.319 5.161 -3.311
109 HG3 GLU 15 HG1 GLU 15 14.022 6.641 -2.659
110 H LYS 16 HN LYS 16 13.206 2.305 -1.133
111 HA LYS 16 HA LYS 16 10.962 2.525 -2.909
112 HB2 LYS 16 HB2 LYS 16 12.852 0.896 -3.191
113 HB3 LYS 16 HB1 LYS 16 12.252 0.038 -1.780
114 HG2 LYS 16 HG2 LYS 16 10.183 -0.470 -2.923
115 HG3 LYS 16 HG1 LYS 16 10.697 0.476 -4.320
116 HD2 LYS 16 HD2 LYS 16 12.088 -1.988 -3.269
117 HD3 LYS 16 HD1 LYS 16 11.005 -1.946 -4.659
118 HE2 LYS 16 HE2 LYS 16 13.622 -0.461 -4.402
119 HE3 LYS 16 HE1 LYS 16 13.353 -1.923 -5.347
120 HZ1 LYS 16 HZ1 LYS 16 12.044 0.701 -5.819
121 HZ2 LYS 16 HZ2 LYS 16 11.794 -0.701 -6.730
122 HZ3 LYS 16 HZ3 LYS 16 13.307 0.050 -6.733
123 H LEU 17 HN LEU 17 11.541 1.499 0.396
124 HA LEU 17 HA LEU 17 9.017 0.446 0.973
125 HB2 LEU 17 HB2 LEU 17 11.057 1.823 2.692
126 HB3 LEU 17 HB1 LEU 17 9.574 1.167 3.349
127 HG LEU 17 HG LEU 17 11.730 -0.407 1.940
128 HD11 LEU 17 HD11 LEU 17 12.381 0.386 4.167
129 HD12 LEU 17 HD12 LEU 17 12.171 -1.362 4.126
130 HD13 LEU 17 HD13 LEU 17 10.927 -0.342 4.844
131 HD21 LEU 17 HD21 LEU 17 9.589 -1.401 1.515
132 HD22 LEU 17 HD22 LEU 17 9.136 -1.259 3.214
133 HD23 LEU 17 HD23 LEU 17 10.423 -2.364 2.734
134 H ALA 18 HN ALA 18 10.181 3.757 0.872
135 HA ALA 18 HA ALA 18 7.992 5.009 2.077
136 HB1 ALA 18 HB1 ALA 18 9.741 6.043 -0.145
137 HB2 ALA 18 HB2 ALA 18 10.090 6.158 1.580
138 HB3 ALA 18 HB3 ALA 18 8.708 7.017 0.901
139 H LYS 19 HN LYS 19 8.575 3.979 -1.235
140 HA LYS 19 HA LYS 19 6.177 5.024 -2.312
141 HB2 LYS 19 HB2 LYS 19 8.124 4.412 -3.694
142 HB3 LYS 19 HB1 LYS 19 7.875 2.721 -3.287
143 HG2 LYS 19 HG2 LYS 19 5.830 2.644 -4.486
144 HG3 LYS 19 HG1 LYS 19 5.814 4.395 -4.687
145 HD2 LYS 19 HD2 LYS 19 6.482 3.262 -6.746
146 HD3 LYS 19 HD1 LYS 19 7.779 4.269 -6.110
147 HE2 LYS 19 HE2 LYS 19 8.849 2.288 -5.155
148 HE3 LYS 19 HE1 LYS 19 7.546 1.279 -5.782
149 HZ1 LYS 19 HZ1 LYS 19 9.403 2.908 -7.431
150 HZ2 LYS 19 HZ2 LYS 19 8.171 1.912 -8.021
151 HZ3 LYS 19 HZ3 LYS 19 9.495 1.232 -7.217
152 H TYR 20 HN TYR 20 7.060 1.945 -0.854
153 HA TYR 20 HA TYR 20 4.611 0.608 -1.236
154 HB2 TYR 20 HB2 TYR 20 6.614 -0.577 -0.502
155 HB3 TYR 20 HB1 TYR 20 6.642 0.347 0.997
156 HD1 TYR 20 HD1 TYR 20 4.826 -2.257 -0.883
157 HD2 TYR 20 HD2 TYR 20 5.268 -0.281 2.856
158 HE1 TYR 20 HE1 TYR 20 3.422 -3.970 0.180
159 HE2 TYR 20 HE2 TYR 20 3.864 -1.991 3.930
160 HH TYR 20 HH TYR 20 2.135 -3.615 3.315
161 H GLN 21 HN GLN 21 5.801 2.681 1.374
162 HA GLN 21 HA GLN 21 3.552 2.513 3.049
163 HB2 GLN 21 HB2 GLN 21 5.588 4.716 2.694
164 HB3 GLN 21 HB1 GLN 21 4.397 4.680 3.985
165 HG2 GLN 21 HG2 GLN 21 5.365 2.741 4.943
166 HG3 GLN 21 HG1 GLN 21 6.397 2.487 3.537
167 HE21 GLN 21 HE21 GLN 21 8.263 2.497 4.795
168 HE22 GLN 21 HE22 GLN 21 8.907 3.954 5.468
169 H ALA 22 HN ALA 22 4.311 4.617 0.342
170 HA ALA 22 HA ALA 22 2.084 6.333 0.638
171 HB1 ALA 22 HB1 ALA 22 4.038 6.975 -0.650
172 HB2 ALA 22 HB2 ALA 22 2.591 7.027 -1.661
173 HB3 ALA 22 HB3 ALA 22 3.722 5.679 -1.803
174 H ASP 23 HN ASP 23 2.600 3.305 -1.083
175 HA ASP 23 HA ASP 23 0.057 3.396 -2.416
176 HB2 ASP 23 HB2 ASP 23 2.120 2.137 -3.233
177 HB3 ASP 23 HB1 ASP 23 1.763 0.935 -1.991
178 H LEU 24 HN LEU 24 1.370 1.950 0.498
179 HA LEU 24 HA LEU 24 -0.937 0.528 1.302
180 HB2 LEU 24 HB2 LEU 24 1.352 0.229 2.259
181 HB3 LEU 24 HB1 LEU 24 1.208 1.796 3.022
182 HG LEU 24 HG LEU 24 0.837 -0.313 4.446
183 HD11 LEU 24 HD11 LEU 24 -1.192 1.907 4.466
184 HD12 LEU 24 HD12 LEU 24 0.389 1.930 5.246
185 HD13 LEU 24 HD13 LEU 24 -0.855 0.810 5.805
186 HD21 LEU 24 HD21 LEU 24 -0.690 -1.439 2.893
187 HD22 LEU 24 HD22 LEU 24 -1.864 -0.144 3.124
188 HD23 LEU 24 HD23 LEU 24 -1.426 -1.187 4.475
189 H ALA 25 HN ALA 25 0.122 3.862 1.785
190 HA ALA 25 HA ALA 25 -2.013 4.732 3.391
191 HB1 ALA 25 HB1 ALA 25 0.054 6.011 3.002
192 HB2 ALA 25 HB2 ALA 25 -1.398 6.965 2.703
193 HB3 ALA 25 HB3 ALA 25 -0.471 6.319 1.347
194 H LYS 26 HN LYS 26 -1.629 4.463 -0.087
195 HA LYS 26 HA LYS 26 -4.082 5.577 -0.900
196 HB2 LYS 26 HB2 LYS 26 -2.202 5.081 -2.419
197 HB3 LYS 26 HB1 LYS 26 -2.451 3.363 -2.164
198 HG2 LYS 26 HG2 LYS 26 -4.803 3.755 -3.094
199 HG3 LYS 26 HG1 LYS 26 -4.169 5.302 -3.662
200 HD2 LYS 26 HD2 LYS 26 -3.093 2.566 -4.337
201 HD3 LYS 26 HD1 LYS 26 -3.987 3.634 -5.416
202 HE2 LYS 26 HE2 LYS 26 -2.211 5.213 -5.459
203 HE3 LYS 26 HE1 LYS 26 -1.372 4.400 -4.140
204 HZ1 LYS 26 HZ1 LYS 26 -0.451 3.967 -6.395
205 HZ2 LYS 26 HZ2 LYS 26 -1.869 3.135 -6.773
206 HZ3 LYS 26 HZ3 LYS 26 -0.861 2.571 -5.530
207 H TYR 27 HN TYR 27 -3.124 2.323 0.032
208 HA TYR 27 HA TYR 27 -5.534 0.983 -0.456
209 HB2 TYR 27 HB2 TYR 27 -3.426 -0.180 -0.005
210 HB3 TYR 27 HB1 TYR 27 -3.402 0.463 1.627
211 HD1 TYR 27 HD1 TYR 27 -5.080 -1.924 -0.635
212 HD2 TYR 27 HD2 TYR 27 -4.663 -0.560 3.373
213 HE1 TYR 27 HE1 TYR 27 -6.316 -3.894 0.163
214 HE2 TYR 27 HE2 TYR 27 -5.890 -2.524 4.180
215 HH TYR 27 HH TYR 27 -6.457 -5.234 2.324
216 H GLN 28 HN GLN 28 -4.385 2.770 2.365
217 HA GLN 28 HA GLN 28 -6.519 2.205 4.095
218 HB2 GLN 28 HB2 GLN 28 -4.760 4.661 3.928
219 HB3 GLN 28 HB1 GLN 28 -5.878 4.335 5.244
220 HG2 GLN 28 HG2 GLN 28 -4.616 2.281 5.775
221 HG3 GLN 28 HG1 GLN 28 -3.467 2.686 4.495
222 HE21 GLN 28 HE21 GLN 28 -1.753 2.848 5.985
223 HE22 GLN 28 HE22 GLN 28 -1.610 4.186 7.065
224 H LYS 29 HN LYS 29 -6.105 4.661 1.613
225 HA LYS 29 HA LYS 29 -8.230 6.332 2.324
226 HB2 LYS 29 HB2 LYS 29 -6.431 6.955 0.750
227 HB3 LYS 29 HB1 LYS 29 -7.093 5.837 -0.436
228 HG2 LYS 29 HG2 LYS 29 -9.173 7.149 -0.476
229 HG3 LYS 29 HG1 LYS 29 -8.456 8.287 0.662
230 HD2 LYS 29 HD2 LYS 29 -7.384 7.654 -2.089
231 HD3 LYS 29 HD1 LYS 29 -8.333 9.079 -1.666
232 HE2 LYS 29 HE2 LYS 29 -6.570 9.726 -0.057
233 HE3 LYS 29 HE1 LYS 29 -5.615 8.342 -0.587
234 HZ1 LYS 29 HZ1 LYS 29 -4.909 10.353 -1.700
235 HZ2 LYS 29 HZ2 LYS 29 -6.467 10.619 -2.289
236 HZ3 LYS 29 HZ3 LYS 29 -5.581 9.283 -2.820
237 H ASP 30 HN ASP 30 -8.117 3.736 -0.110
238 HA ASP 30 HA ASP 30 -10.908 3.810 -0.643
239 HB2 ASP 30 HB2 ASP 30 -8.688 1.927 -1.303
240 HB3 ASP 30 HB1 ASP 30 -10.354 1.389 -1.520
241 H LEU 31 HN LEU 31 -8.919 2.014 1.623
242 HA LEU 31 HA LEU 31 -10.849 0.121 2.431
243 HB2 LEU 31 HB2 LEU 31 -8.417 -0.031 2.935
244 HB3 LEU 31 HB1 LEU 31 -8.588 1.305 4.055
245 HG LEU 31 HG LEU 31 -10.107 -0.073 5.437
246 HD11 LEU 31 HD11 LEU 31 -10.166 -2.509 5.032
247 HD12 LEU 31 HD12 LEU 31 -9.377 -2.244 3.477
248 HD13 LEU 31 HD13 LEU 31 -10.985 -1.583 3.775
249 HD21 LEU 31 HD21 LEU 31 -8.353 -1.546 6.317
250 HD22 LEU 31 HD22 LEU 31 -7.749 0.074 5.968
251 HD23 LEU 31 HD23 LEU 31 -7.398 -1.255 4.864
252 H ALA 32 HN ALA 32 -10.192 3.409 3.441
253 HA ALA 32 HA ALA 32 -11.771 3.525 5.737
254 HB1 ALA 32 HB1 ALA 32 -10.192 5.275 5.073
255 HB2 ALA 32 HB2 ALA 32 -11.797 5.930 5.398
256 HB3 ALA 32 HB3 ALA 32 -11.254 5.711 3.733
257 H ASP 33 HN ASP 33 -12.574 3.845 2.344
258 HA ASP 33 HA ASP 33 -15.321 4.536 2.894
259 HB2 ASP 33 HB2 ASP 33 -14.264 5.474 0.904
260 HB3 ASP 33 HB1 ASP 33 -13.939 3.857 0.285
261 H TYR 34 HN TYR 34 -13.609 1.764 1.469
262 HA TYR 34 HA TYR 34 -16.021 0.149 1.952
263 HB2 TYR 34 HB2 TYR 34 -15.469 0.391 -0.432
264 HB3 TYR 34 HB1 TYR 34 -13.858 -0.247 -0.124
265 HD1 TYR 34 HD1 TYR 34 -17.454 -1.108 -0.193
266 HD2 TYR 34 HD2 TYR 34 -13.476 -2.576 0.036
267 HE1 TYR 34 HE1 TYR 34 -18.279 -3.387 -0.586
268 HE2 TYR 34 HE2 TYR 34 -14.282 -4.854 -0.365
269 HH TYR 34 HH TYR 34 -17.468 -5.534 -1.401
270 HN1 NH2 35 HN1 NH2 35 -15.647 -0.741 3.878
271 HN2 NH2 35 HN2 NH2 35 -14.258 -1.680 4.293
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 -13.669 -1.778 -3.633
2 H2 ACE 0 HA2 ACE 0 -14.426 -2.601 -2.270
3 H3 ACE 0 HA3 ACE 0 -15.275 -2.545 -3.812
4 HA PRO 1 HA PRO 1 -12.808 -3.748 -1.000
5 HB2 PRO 1 HB2 PRO 1 -11.063 -5.957 -0.905
6 HB3 PRO 1 HB1 PRO 1 -12.617 -5.822 -0.066
7 HG2 PRO 1 HG2 PRO 1 -11.964 -7.194 -2.606
8 HG3 PRO 1 HG1 PRO 1 -13.128 -7.633 -1.337
9 HD2 PRO 1 HD2 PRO 1 -13.956 -6.572 -3.658
10 HD3 PRO 1 HD1 PRO 1 -14.742 -6.152 -2.119
11 HA PRO 2 HA PRO 2 -9.322 -1.718 -2.785
12 HB2 PRO 2 HB2 PRO 2 -7.760 -1.478 -0.507
13 HB3 PRO 2 HB1 PRO 2 -9.097 -0.390 -0.934
14 HG2 PRO 2 HG2 PRO 2 -9.067 -2.688 0.948
15 HG3 PRO 2 HG1 PRO 2 -9.861 -1.112 1.097
16 HD2 PRO 2 HD2 PRO 2 -11.254 -3.297 0.428
17 HD3 PRO 2 HD1 PRO 2 -11.628 -1.712 -0.278
18 H THR 3 HN THR 3 -7.282 -2.155 -3.560
19 HA THR 3 HA THR 3 -6.445 -4.914 -3.315
20 HB THR 3 HB THR 3 -5.168 -2.772 -5.006
21 HG1 THR 3 HG1 THR 3 -7.520 -4.306 -5.406
22 HG21 THR 3 HG21 THR 3 -3.915 -4.868 -4.755
23 HG22 THR 3 HG22 THR 3 -4.508 -4.668 -6.404
24 HG23 THR 3 HG23 THR 3 -5.327 -5.773 -5.300
25 H LYS 4 HN LYS 4 -4.930 -5.569 -1.954
26 HA LYS 4 HA LYS 4 -3.466 -3.798 -0.305
27 HB2 LYS 4 HB2 LYS 4 -3.098 -6.743 -0.867
28 HB3 LYS 4 HB1 LYS 4 -2.206 -5.861 0.368
29 HG2 LYS 4 HG2 LYS 4 -4.311 -5.343 1.506
30 HG3 LYS 4 HG1 LYS 4 -5.191 -6.245 0.276
31 HD2 LYS 4 HD2 LYS 4 -3.104 -7.366 2.141
32 HD3 LYS 4 HD1 LYS 4 -4.848 -7.581 2.295
33 HE2 LYS 4 HE2 LYS 4 -4.888 -8.751 0.146
34 HE3 LYS 4 HE1 LYS 4 -3.147 -8.525 -0.010
35 HZ1 LYS 4 HZ1 LYS 4 -2.844 -9.848 1.998
36 HZ2 LYS 4 HZ2 LYS 4 -3.652 -10.723 0.803
37 HZ3 LYS 4 HZ3 LYS 4 -4.515 -10.088 2.107
38 HA PRO 5 HA PRO 5 -0.094 -2.610 -2.859
39 HB2 PRO 5 HB2 PRO 5 1.932 -2.681 -0.954
40 HB3 PRO 5 HB1 PRO 5 0.835 -1.314 -1.232
41 HG2 PRO 5 HG2 PRO 5 0.711 -3.445 0.838
42 HG3 PRO 5 HG1 PRO 5 0.323 -1.712 0.959
43 HD2 PRO 5 HD2 PRO 5 -1.619 -3.557 0.785
44 HD3 PRO 5 HD1 PRO 5 -1.771 -1.972 -0.018
45 H THR 6 HN THR 6 0.729 -3.916 -4.301
46 HA THR 6 HA THR 6 1.698 -6.553 -3.675
47 HB THR 6 HB THR 6 1.908 -5.076 -6.297
48 HG1 THR 6 HG1 THR 6 -0.222 -5.124 -6.153
49 HG21 THR 6 HG21 THR 6 1.770 -8.024 -5.662
50 HG22 THR 6 HG22 THR 6 3.225 -7.144 -6.128
51 HG23 THR 6 HG23 THR 6 1.893 -7.314 -7.271
52 H LYS 7 HN LYS 7 2.959 -3.426 -3.778
53 HA LYS 7 HA LYS 7 5.616 -3.901 -4.578
54 HB2 LYS 7 HB2 LYS 7 4.558 -1.804 -2.675
55 HB3 LYS 7 HB1 LYS 7 6.120 -1.769 -3.479
56 HG2 LYS 7 HG2 LYS 7 5.031 -1.594 -5.643
57 HG3 LYS 7 HG1 LYS 7 3.449 -1.694 -4.864
58 HD2 LYS 7 HD2 LYS 7 3.962 0.380 -3.620
59 HD3 LYS 7 HD1 LYS 7 5.503 0.489 -4.474
60 HE2 LYS 7 HE2 LYS 7 2.750 0.590 -5.706
61 HE3 LYS 7 HE1 LYS 7 3.864 1.941 -5.516
62 HZ1 LYS 7 HZ1 LYS 7 4.219 -0.438 -7.253
63 HZ2 LYS 7 HZ2 LYS 7 5.431 0.705 -6.971
64 HZ3 LYS 7 HZ3 LYS 7 3.999 1.166 -7.746
65 HA PRO 8 HA PRO 8 7.305 -6.068 -1.103
66 HB2 PRO 8 HB2 PRO 8 9.889 -5.134 -1.273
67 HB3 PRO 8 HB1 PRO 8 9.232 -6.440 -2.279
68 HG2 PRO 8 HG2 PRO 8 9.645 -3.580 -2.936
69 HG3 PRO 8 HG1 PRO 8 9.870 -5.016 -3.950
70 HD2 PRO 8 HD2 PRO 8 7.705 -3.404 -4.176
71 HD3 PRO 8 HD1 PRO 8 7.629 -5.155 -4.484
72 H GLY 9 HN GLY 9 7.387 -5.656 0.998
73 HA2 GLY 9 HA2 GLY 9 8.003 -2.903 1.859
74 HA3 GLY 9 HA1 GLY 9 6.695 -3.837 2.568
75 H ASP 10 HN ASP 10 9.356 -5.727 1.773
76 HA ASP 10 HA ASP 10 10.364 -5.583 4.530
77 HB2 ASP 10 HB2 ASP 10 9.883 -8.080 2.896
78 HB3 ASP 10 HB1 ASP 10 10.693 -8.044 4.458
79 H ASN 11 HN ASN 11 11.134 -6.968 1.349
80 HA ASN 11 HA ASN 11 13.981 -6.619 1.884
81 HB2 ASN 11 HB2 ASN 11 14.330 -7.931 -0.155
82 HB3 ASN 11 HB1 ASN 11 13.222 -8.763 0.930
83 HD21 ASN 11 HD21 ASN 11 13.605 -8.960 -1.989
84 HD22 ASN 11 HD22 ASN 11 12.043 -8.679 -2.672
85 H ALA 12 HN ALA 12 12.307 -4.308 1.504
86 HA ALA 12 HA ALA 12 13.201 -3.309 -1.102
87 HB1 ALA 12 HB1 ALA 12 11.057 -2.161 0.670
88 HB2 ALA 12 HB2 ALA 12 10.759 -3.309 -0.634
89 HB3 ALA 12 HB3 ALA 12 11.424 -1.715 -0.998
90 H THR 13 HN THR 13 14.176 -1.300 -1.261
91 HA THR 13 HA THR 13 15.879 -0.509 0.859
92 HB THR 13 HB THR 13 16.379 1.435 -0.658
93 HG1 THR 13 HG1 THR 13 15.440 1.369 -2.736
94 HG21 THR 13 HG21 THR 13 16.481 -1.313 -1.888
95 HG22 THR 13 HG22 THR 13 17.653 -0.643 -0.753
96 HG23 THR 13 HG23 THR 13 17.477 0.065 -2.359
97 HA PRO 14 HA PRO 14 13.564 2.341 3.261
98 HB2 PRO 14 HB2 PRO 14 15.238 4.578 3.198
99 HB3 PRO 14 HB1 PRO 14 15.386 3.219 4.324
100 HG2 PRO 14 HG2 PRO 14 16.868 3.764 1.817
101 HG3 PRO 14 HG1 PRO 14 17.436 3.059 3.353
102 HD2 PRO 14 HD2 PRO 14 16.969 1.501 1.234
103 HD3 PRO 14 HD1 PRO 14 16.565 0.959 2.872
104 H GLU 15 HN GLU 15 14.958 3.731 0.312
105 HA GLU 15 HA GLU 15 13.099 5.860 0.122
106 HB2 GLU 15 HB2 GLU 15 15.300 5.863 -1.001
107 HB3 GLU 15 HB1 GLU 15 14.742 4.572 -2.060
108 HG2 GLU 15 HG2 GLU 15 13.053 6.031 -3.006
109 HG3 GLU 15 HG1 GLU 15 13.514 7.315 -1.889
110 H LYS 16 HN LYS 16 13.177 2.575 -1.103
111 HA LYS 16 HA LYS 16 10.869 2.886 -2.766
112 HB2 LYS 16 HB2 LYS 16 12.665 1.227 -3.220
113 HB3 LYS 16 HB1 LYS 16 12.188 0.358 -1.768
114 HG2 LYS 16 HG2 LYS 16 10.017 -0.116 -2.728
115 HG3 LYS 16 HG1 LYS 16 10.424 0.830 -4.161
116 HD2 LYS 16 HD2 LYS 16 12.299 -0.724 -4.601
117 HD3 LYS 16 HD1 LYS 16 11.777 -1.698 -3.226
118 HE2 LYS 16 HE2 LYS 16 9.628 -2.088 -4.306
119 HE3 LYS 16 HE1 LYS 16 10.119 -1.081 -5.666
120 HZ1 LYS 16 HZ1 LYS 16 10.384 -3.429 -6.157
121 HZ2 LYS 16 HZ2 LYS 16 11.433 -3.614 -4.842
122 HZ3 LYS 16 HZ3 LYS 16 11.884 -2.648 -6.153
123 H LEU 17 HN LEU 17 11.522 1.748 0.492
124 HA LEU 17 HA LEU 17 9.014 0.690 1.093
125 HB2 LEU 17 HB2 LEU 17 11.090 2.020 2.802
126 HB3 LEU 17 HB1 LEU 17 9.613 1.373 3.480
127 HG LEU 17 HG LEU 17 11.716 -0.207 1.996
128 HD11 LEU 17 HD11 LEU 17 12.444 0.505 4.210
129 HD12 LEU 17 HD12 LEU 17 12.146 -1.231 4.169
130 HD13 LEU 17 HD13 LEU 17 10.969 -0.151 4.917
131 HD21 LEU 17 HD21 LEU 17 10.398 -2.159 2.778
132 HD22 LEU 17 HD22 LEU 17 9.555 -1.164 1.595
133 HD23 LEU 17 HD23 LEU 17 9.134 -1.046 3.303
134 H ALA 18 HN ALA 18 10.136 3.998 0.973
135 HA ALA 18 HA ALA 18 7.936 5.211 2.227
136 HB1 ALA 18 HB1 ALA 18 10.037 6.382 1.771
137 HB2 ALA 18 HB2 ALA 18 8.650 7.252 1.117
138 HB3 ALA 18 HB3 ALA 18 9.693 6.317 0.044
139 H LYS 19 HN LYS 19 8.547 4.233 -1.100
140 HA LYS 19 HA LYS 19 6.125 5.260 -2.173
141 HB2 LYS 19 HB2 LYS 19 8.129 4.685 -3.534
142 HB3 LYS 19 HB1 LYS 19 7.834 2.985 -3.203
143 HG2 LYS 19 HG2 LYS 19 5.675 3.141 -4.353
144 HG3 LYS 19 HG1 LYS 19 5.990 4.841 -4.700
145 HD2 LYS 19 HD2 LYS 19 7.682 2.523 -5.634
146 HD3 LYS 19 HD1 LYS 19 6.494 3.377 -6.618
147 HE2 LYS 19 HE2 LYS 19 8.950 4.609 -5.368
148 HE3 LYS 19 HE1 LYS 19 8.791 4.137 -7.057
149 HZ1 LYS 19 HZ1 LYS 19 7.170 6.205 -5.674
150 HZ2 LYS 19 HZ2 LYS 19 6.996 5.746 -7.292
151 HZ3 LYS 19 HZ3 LYS 19 8.420 6.496 -6.776
152 H TYR 20 HN TYR 20 7.111 2.187 -0.794
153 HA TYR 20 HA TYR 20 4.740 0.747 -1.222
154 HB2 TYR 20 HB2 TYR 20 6.727 -0.406 -0.513
155 HB3 TYR 20 HB1 TYR 20 6.842 0.574 0.945
156 HD1 TYR 20 HD1 TYR 20 4.739 -1.997 -0.726
157 HD2 TYR 20 HD2 TYR 20 5.837 -0.130 2.938
158 HE1 TYR 20 HE1 TYR 20 3.463 -3.692 0.519
159 HE2 TYR 20 HE2 TYR 20 4.568 -1.818 4.188
160 HH TYR 20 HH TYR 20 3.423 -4.676 2.772
161 H GLN 21 HN GLN 21 5.780 2.812 1.469
162 HA GLN 21 HA GLN 21 3.465 2.529 3.041
163 HB2 GLN 21 HB2 GLN 21 5.452 4.793 2.837
164 HB3 GLN 21 HB1 GLN 21 4.176 4.727 4.042
165 HG2 GLN 21 HG2 GLN 21 5.114 2.690 4.964
166 HG3 GLN 21 HG1 GLN 21 6.363 2.686 3.719
167 HE21 GLN 21 HE21 GLN 21 8.001 2.759 5.269
168 HE22 GLN 21 HE22 GLN 21 8.359 4.204 6.150
169 H ALA 22 HN ALA 22 4.277 4.686 0.394
170 HA ALA 22 HA ALA 22 2.047 6.384 0.588
171 HB1 ALA 22 HB1 ALA 22 3.648 5.627 -1.851
172 HB2 ALA 22 HB2 ALA 22 4.029 6.932 -0.729
173 HB3 ALA 22 HB3 ALA 22 2.567 7.014 -1.713
174 H ASP 23 HN ASP 23 2.549 3.305 -1.071
175 HA ASP 23 HA ASP 23 -0.032 3.395 -2.331
176 HB2 ASP 23 HB2 ASP 23 1.996 2.146 -3.241
177 HB3 ASP 23 HB1 ASP 23 1.669 0.923 -2.007
178 H LEU 24 HN LEU 24 1.346 1.981 0.557
179 HA LEU 24 HA LEU 24 -0.915 0.491 1.370
180 HB2 LEU 24 HB2 LEU 24 1.366 0.270 2.354
181 HB3 LEU 24 HB1 LEU 24 1.184 1.852 3.074
182 HG LEU 24 HG LEU 24 0.858 -0.224 4.554
183 HD11 LEU 24 HD11 LEU 24 0.367 2.016 5.308
184 HD12 LEU 24 HD12 LEU 24 -0.874 0.897 5.875
185 HD13 LEU 24 HD13 LEU 24 -1.204 1.964 4.509
186 HD21 LEU 24 HD21 LEU 24 -0.611 -1.491 3.127
187 HD22 LEU 24 HD22 LEU 24 -1.789 -0.182 3.119
188 HD23 LEU 24 HD23 LEU 24 -1.464 -1.064 4.610
189 H ALA 25 HN ALA 25 0.037 3.858 1.812
190 HA ALA 25 HA ALA 25 -2.126 4.696 3.390
191 HB1 ALA 25 HB1 ALA 25 -1.604 6.937 2.595
192 HB2 ALA 25 HB2 ALA 25 -0.601 6.255 1.313
193 HB3 ALA 25 HB3 ALA 25 -0.132 6.054 3.001
194 H LYS 26 HN LYS 26 -1.732 4.386 -0.095
195 HA LYS 26 HA LYS 26 -4.215 5.421 -0.904
196 HB2 LYS 26 HB2 LYS 26 -2.367 4.953 -2.464
197 HB3 LYS 26 HB1 LYS 26 -2.550 3.233 -2.170
198 HG2 LYS 26 HG2 LYS 26 -4.813 3.331 -3.136
199 HG3 LYS 26 HG1 LYS 26 -4.559 5.042 -3.493
200 HD2 LYS 26 HD2 LYS 26 -2.659 4.470 -4.916
201 HD3 LYS 26 HD1 LYS 26 -2.886 2.761 -4.545
202 HE2 LYS 26 HE2 LYS 26 -4.876 4.539 -5.950
203 HE3 LYS 26 HE1 LYS 26 -3.822 3.360 -6.731
204 HZ1 LYS 26 HZ1 LYS 26 -6.007 2.442 -6.421
205 HZ2 LYS 26 HZ2 LYS 26 -5.966 2.772 -4.766
206 HZ3 LYS 26 HZ3 LYS 26 -4.916 1.622 -5.423
207 H TYR 27 HN TYR 27 -3.191 2.181 0.031
208 HA TYR 27 HA TYR 27 -5.618 0.849 -0.410
209 HB2 TYR 27 HB2 TYR 27 -3.572 -0.402 -0.049
210 HB3 TYR 27 HB1 TYR 27 -3.395 0.279 1.559
211 HD1 TYR 27 HD1 TYR 27 -5.346 -2.080 -0.496
212 HD2 TYR 27 HD2 TYR 27 -4.583 -0.635 3.429
213 HE1 TYR 27 HE1 TYR 27 -6.580 -3.983 0.437
214 HE2 TYR 27 HE2 TYR 27 -5.826 -2.532 4.374
215 HH TYR 27 HH TYR 27 -7.593 -4.134 3.652
216 H GLN 28 HN GLN 28 -4.351 2.433 2.518
217 HA GLN 28 HA GLN 28 -6.528 1.766 4.172
218 HB2 GLN 28 HB2 GLN 28 -4.628 4.111 4.369
219 HB3 GLN 28 HB1 GLN 28 -5.751 3.623 5.631
220 HG2 GLN 28 HG2 GLN 28 -4.601 1.399 5.684
221 HG3 GLN 28 HG1 GLN 28 -3.397 2.068 4.581
222 HE21 GLN 28 HE21 GLN 28 -3.043 1.056 7.273
223 HE22 GLN 28 HE22 GLN 28 -2.380 2.357 8.196
224 H LYS 29 HN LYS 29 -5.931 4.552 2.094
225 HA LYS 29 HA LYS 29 -8.179 6.055 2.867
226 HB2 LYS 29 HB2 LYS 29 -6.284 6.970 1.566
227 HB3 LYS 29 HB1 LYS 29 -6.789 6.015 0.179
228 HG2 LYS 29 HG2 LYS 29 -7.507 8.310 -0.068
229 HG3 LYS 29 HG1 LYS 29 -8.907 7.249 0.113
230 HD2 LYS 29 HD2 LYS 29 -9.107 7.873 2.452
231 HD3 LYS 29 HD1 LYS 29 -7.662 8.876 2.328
232 HE2 LYS 29 HE2 LYS 29 -9.641 10.264 2.219
233 HE3 LYS 29 HE1 LYS 29 -8.807 10.285 0.667
234 HZ1 LYS 29 HZ1 LYS 29 -11.200 8.649 1.316
235 HZ2 LYS 29 HZ2 LYS 29 -10.405 8.684 -0.175
236 HZ3 LYS 29 HZ3 LYS 29 -11.194 10.065 0.392
237 H ASP 30 HN ASP 30 -7.696 3.776 0.193
238 HA ASP 30 HA ASP 30 -10.357 3.930 -0.770
239 HB2 ASP 30 HB2 ASP 30 -8.332 3.069 -2.035
240 HB3 ASP 30 HB1 ASP 30 -8.494 1.576 -1.106
241 H LEU 31 HN LEU 31 -8.751 1.952 1.614
242 HA LEU 31 HA LEU 31 -10.801 0.106 2.158
243 HB2 LEU 31 HB2 LEU 31 -8.491 -0.143 2.957
244 HB3 LEU 31 HB1 LEU 31 -8.685 1.268 3.974
245 HG LEU 31 HG LEU 31 -10.385 0.047 5.300
246 HD11 LEU 31 HD11 LEU 31 -11.180 -1.519 3.639
247 HD12 LEU 31 HD12 LEU 31 -10.544 -2.397 5.029
248 HD13 LEU 31 HD13 LEU 31 -9.589 -2.275 3.553
249 HD21 LEU 31 HD21 LEU 31 -8.089 0.115 6.045
250 HD22 LEU 31 HD22 LEU 31 -7.687 -1.265 5.025
251 HD23 LEU 31 HD23 LEU 31 -8.779 -1.471 6.396
252 H ALA 32 HN ALA 32 -10.119 3.321 3.402
253 HA ALA 32 HA ALA 32 -12.167 3.466 5.318
254 HB1 ALA 32 HB1 ALA 32 -11.854 5.873 5.191
255 HB2 ALA 32 HB2 ALA 32 -10.946 5.686 3.691
256 HB3 ALA 32 HB3 ALA 32 -10.299 5.045 5.201
257 H ASP 33 HN ASP 33 -12.035 4.290 1.906
258 HA ASP 33 HA ASP 33 -14.665 5.332 1.722
259 HB2 ASP 33 HB2 ASP 33 -12.925 5.876 0.077
260 HB3 ASP 33 HB1 ASP 33 -12.870 4.192 -0.433
261 H TYR 34 HN TYR 34 -13.328 2.151 1.595
262 HA TYR 34 HA TYR 34 -15.593 0.878 0.404
263 HB2 TYR 34 HB2 TYR 34 -13.281 -0.034 0.310
264 HB3 TYR 34 HB1 TYR 34 -13.353 -0.322 2.041
265 HD1 TYR 34 HD1 TYR 34 -15.798 -0.982 -0.708
266 HD2 TYR 34 HD2 TYR 34 -13.387 -2.595 2.400
267 HE1 TYR 34 HE1 TYR 34 -16.738 -3.205 -1.137
268 HE2 TYR 34 HE2 TYR 34 -14.323 -4.818 1.980
269 HH TYR 34 HH TYR 34 -16.348 -5.811 0.993
270 HN1 NH2 35 HN1 NH2 35 -17.475 0.787 1.397
271 HN2 NH2 35 HN2 NH2 35 -17.734 0.494 3.079
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 -13.822 -2.730 -2.365
2 H2 ACE 0 HA2 ACE 0 -15.293 -3.513 -1.796
3 H3 ACE 0 HA3 ACE 0 -15.091 -3.231 -3.522
4 HA PRO 1 HA PRO 1 -12.622 -3.931 -0.339
5 HB2 PRO 1 HB2 PRO 1 -11.260 -6.581 -0.177
6 HB3 PRO 1 HB1 PRO 1 -11.790 -5.507 1.131
7 HG2 PRO 1 HG2 PRO 1 -13.110 -7.734 0.554
8 HG3 PRO 1 HG1 PRO 1 -13.943 -6.260 1.079
9 HD2 PRO 1 HD2 PRO 1 -13.795 -7.469 -1.631
10 HD3 PRO 1 HD1 PRO 1 -15.091 -6.509 -0.893
11 HA PRO 2 HA PRO 2 -9.504 -2.875 -3.315
12 HB2 PRO 2 HB2 PRO 2 -7.662 -1.847 -1.494
13 HB3 PRO 2 HB1 PRO 2 -9.002 -0.940 -2.222
14 HG2 PRO 2 HG2 PRO 2 -8.816 -2.211 0.453
15 HG3 PRO 2 HG1 PRO 2 -9.599 -0.694 -0.036
16 HD2 PRO 2 HD2 PRO 2 -11.027 -2.911 0.455
17 HD3 PRO 2 HD1 PRO 2 -11.495 -1.768 -0.818
18 H THR 3 HN THR 3 -7.575 -3.670 -4.104
19 HA THR 3 HA THR 3 -6.599 -6.105 -2.948
20 HB THR 3 HB THR 3 -5.371 -4.550 -5.223
21 HG1 THR 3 HG1 THR 3 -7.771 -5.886 -5.065
22 HG21 THR 3 HG21 THR 3 -4.014 -6.379 -4.322
23 HG22 THR 3 HG22 THR 3 -4.591 -6.753 -5.946
24 HG23 THR 3 HG23 THR 3 -5.365 -7.492 -4.545
25 H LYS 4 HN LYS 4 -4.838 -6.385 -1.716
26 HA LYS 4 HA LYS 4 -3.691 -4.163 -0.391
27 HB2 LYS 4 HB2 LYS 4 -2.841 -7.065 -0.463
28 HB3 LYS 4 HB1 LYS 4 -2.228 -5.863 0.674
29 HG2 LYS 4 HG2 LYS 4 -4.408 -5.605 1.651
30 HG3 LYS 4 HG1 LYS 4 -5.122 -6.662 0.433
31 HD2 LYS 4 HD2 LYS 4 -4.832 -7.896 2.478
32 HD3 LYS 4 HD1 LYS 4 -3.696 -8.508 1.273
33 HE2 LYS 4 HE2 LYS 4 -1.937 -7.082 2.287
34 HE3 LYS 4 HE1 LYS 4 -3.085 -6.616 3.539
35 HZ1 LYS 4 HZ1 LYS 4 -1.669 -8.387 4.307
36 HZ2 LYS 4 HZ2 LYS 4 -2.109 -9.364 2.998
37 HZ3 LYS 4 HZ3 LYS 4 -3.258 -8.954 4.170
38 HA PRO 5 HA PRO 5 -0.319 -2.929 -2.950
39 HB2 PRO 5 HB2 PRO 5 1.698 -2.767 -1.041
40 HB3 PRO 5 HB1 PRO 5 0.518 -1.489 -1.396
41 HG2 PRO 5 HG2 PRO 5 0.501 -3.525 0.777
42 HG3 PRO 5 HG1 PRO 5 0.037 -1.806 0.823
43 HD2 PRO 5 HD2 PRO 5 -1.832 -3.710 0.735
44 HD3 PRO 5 HD1 PRO 5 -2.026 -2.198 -0.186
45 H THR 6 HN THR 6 0.667 -4.222 -4.317
46 HA THR 6 HA THR 6 1.626 -6.822 -3.564
47 HB THR 6 HB THR 6 2.021 -5.486 -6.227
48 HG1 THR 6 HG1 THR 6 -0.264 -7.014 -5.466
49 HG21 THR 6 HG21 THR 6 1.841 -7.793 -7.064
50 HG22 THR 6 HG22 THR 6 1.651 -8.368 -5.407
51 HG23 THR 6 HG23 THR 6 3.164 -7.616 -5.914
52 H LYS 7 HN LYS 7 2.955 -3.683 -3.884
53 HA LYS 7 HA LYS 7 5.616 -4.328 -4.529
54 HB2 LYS 7 HB2 LYS 7 4.334 -1.968 -3.181
55 HB3 LYS 7 HB1 LYS 7 6.080 -2.084 -3.318
56 HG2 LYS 7 HG2 LYS 7 5.867 -2.254 -5.763
57 HG3 LYS 7 HG1 LYS 7 4.117 -2.071 -5.609
58 HD2 LYS 7 HD2 LYS 7 6.044 -0.036 -4.515
59 HD3 LYS 7 HD1 LYS 7 5.477 0.018 -6.183
60 HE2 LYS 7 HE2 LYS 7 3.660 -0.010 -3.783
61 HE3 LYS 7 HE1 LYS 7 4.196 1.459 -4.595
62 HZ1 LYS 7 HZ1 LYS 7 3.144 0.678 -6.626
63 HZ2 LYS 7 HZ2 LYS 7 2.012 0.763 -5.369
64 HZ3 LYS 7 HZ3 LYS 7 2.636 -0.736 -5.850
65 HA PRO 8 HA PRO 8 7.275 -6.251 -0.989
66 HB2 PRO 8 HB2 PRO 8 9.766 -5.076 -0.873
67 HB3 PRO 8 HB1 PRO 8 9.324 -6.381 -1.988
68 HG2 PRO 8 HG2 PRO 8 9.472 -3.448 -2.484
69 HG3 PRO 8 HG1 PRO 8 9.985 -4.795 -3.523
70 HD2 PRO 8 HD2 PRO 8 7.681 -3.489 -3.966
71 HD3 PRO 8 HD1 PRO 8 7.822 -5.240 -4.240
72 H GLY 9 HN GLY 9 7.224 -5.997 1.143
73 HA2 GLY 9 HA2 GLY 9 7.043 -3.241 2.177
74 HA3 GLY 9 HA1 GLY 9 6.233 -4.632 2.882
75 H ASP 10 HN ASP 10 8.811 -6.184 2.405
76 HA ASP 10 HA ASP 10 10.365 -5.031 4.627
77 HB2 ASP 10 HB2 ASP 10 9.711 -7.936 4.116
78 HB3 ASP 10 HB1 ASP 10 10.944 -7.405 5.253
79 H ASN 11 HN ASN 11 10.382 -6.913 1.682
80 HA ASN 11 HA ASN 11 13.287 -6.908 1.551
81 HB2 ASN 11 HB2 ASN 11 12.024 -8.939 0.893
82 HB3 ASN 11 HB1 ASN 11 11.256 -8.022 -0.398
83 HD21 ASN 11 HD21 ASN 11 12.061 -9.159 -2.097
84 HD22 ASN 11 HD22 ASN 11 13.742 -9.215 -2.507
85 H ALA 12 HN ALA 12 12.947 -4.427 1.537
86 HA ALA 12 HA ALA 12 13.250 -3.548 -1.208
87 HB1 ALA 12 HB1 ALA 12 11.168 -2.244 0.530
88 HB2 ALA 12 HB2 ALA 12 10.806 -3.417 -0.732
89 HB3 ALA 12 HB3 ALA 12 11.547 -1.876 -1.153
90 H THR 13 HN THR 13 13.932 -1.282 -1.333
91 HA THR 13 HA THR 13 15.819 -0.619 0.733
92 HB THR 13 HB THR 13 16.363 1.307 -0.713
93 HG1 THR 13 HG1 THR 13 14.600 0.355 -2.683
94 HG21 THR 13 HG21 THR 13 17.163 0.029 -2.642
95 HG22 THR 13 HG22 THR 13 16.093 -1.304 -2.195
96 HG23 THR 13 HG23 THR 13 17.424 -0.846 -1.132
97 HA PRO 14 HA PRO 14 13.439 2.249 3.143
98 HB2 PRO 14 HB2 PRO 14 15.210 4.387 3.261
99 HB3 PRO 14 HB1 PRO 14 15.281 2.967 4.317
100 HG2 PRO 14 HG2 PRO 14 16.847 3.586 1.875
101 HG3 PRO 14 HG1 PRO 14 17.360 2.812 3.397
102 HD2 PRO 14 HD2 PRO 14 16.902 1.351 1.197
103 HD3 PRO 14 HD1 PRO 14 16.473 0.748 2.808
104 H GLU 15 HN GLU 15 15.010 3.394 0.231
105 HA GLU 15 HA GLU 15 13.483 5.719 -0.199
106 HB2 GLU 15 HB2 GLU 15 15.594 5.283 -1.351
107 HB3 GLU 15 HB1 GLU 15 14.885 3.892 -2.160
108 HG2 GLU 15 HG2 GLU 15 13.244 5.478 -3.224
109 HG3 GLU 15 HG1 GLU 15 14.216 6.794 -2.563
110 H LYS 16 HN LYS 16 13.091 2.366 -1.220
111 HA LYS 16 HA LYS 16 10.769 2.904 -2.811
112 HB2 LYS 16 HB2 LYS 16 12.414 1.060 -3.270
113 HB3 LYS 16 HB1 LYS 16 11.805 0.240 -1.838
114 HG2 LYS 16 HG2 LYS 16 10.797 -0.706 -3.806
115 HG3 LYS 16 HG1 LYS 16 9.568 0.154 -2.874
116 HD2 LYS 16 HD2 LYS 16 9.703 2.046 -4.365
117 HD3 LYS 16 HD1 LYS 16 11.036 1.299 -5.244
118 HE2 LYS 16 HE2 LYS 16 9.544 -0.527 -5.924
119 HE3 LYS 16 HE1 LYS 16 8.214 0.250 -5.065
120 HZ1 LYS 16 HZ1 LYS 16 8.191 0.726 -7.449
121 HZ2 LYS 16 HZ2 LYS 16 9.712 1.452 -7.329
122 HZ3 LYS 16 HZ3 LYS 16 8.385 2.137 -6.536
123 H LEU 17 HN LEU 17 11.426 1.617 0.402
124 HA LEU 17 HA LEU 17 8.846 0.757 1.025
125 HB2 LEU 17 HB2 LEU 17 11.085 1.754 2.751
126 HB3 LEU 17 HB1 LEU 17 9.573 1.185 3.424
127 HG LEU 17 HG LEU 17 11.504 -0.436 1.766
128 HD11 LEU 17 HD11 LEU 17 10.781 -0.566 4.686
129 HD12 LEU 17 HD12 LEU 17 12.305 0.018 4.016
130 HD13 LEU 17 HD13 LEU 17 11.855 -1.679 3.836
131 HD21 LEU 17 HD21 LEU 17 10.025 -2.332 2.408
132 HD22 LEU 17 HD22 LEU 17 9.276 -1.180 1.306
133 HD23 LEU 17 HD23 LEU 17 8.861 -1.157 3.020
134 H ALA 18 HN ALA 18 10.282 3.946 1.113
135 HA ALA 18 HA ALA 18 8.269 5.262 2.553
136 HB1 ALA 18 HB1 ALA 18 9.119 7.299 1.535
137 HB2 ALA 18 HB2 ALA 18 10.012 6.344 0.350
138 HB3 ALA 18 HB3 ALA 18 10.445 6.260 2.058
139 H LYS 19 HN LYS 19 8.606 4.504 -0.880
140 HA LYS 19 HA LYS 19 6.167 5.816 -1.609
141 HB2 LYS 19 HB2 LYS 19 8.071 5.433 -3.187
142 HB3 LYS 19 HB1 LYS 19 7.693 3.718 -3.159
143 HG2 LYS 19 HG2 LYS 19 6.780 4.793 -5.143
144 HG3 LYS 19 HG1 LYS 19 5.493 4.172 -4.107
145 HD2 LYS 19 HD2 LYS 19 5.139 6.421 -3.203
146 HD3 LYS 19 HD1 LYS 19 6.429 7.040 -4.233
147 HE2 LYS 19 HE2 LYS 19 3.901 5.727 -5.222
148 HE3 LYS 19 HE1 LYS 19 4.165 7.466 -5.136
149 HZ1 LYS 19 HZ1 LYS 19 5.996 7.232 -6.688
150 HZ2 LYS 19 HZ2 LYS 19 4.575 6.613 -7.356
151 HZ3 LYS 19 HZ3 LYS 19 5.758 5.561 -6.767
152 H TYR 20 HN TYR 20 7.121 2.593 -0.647
153 HA TYR 20 HA TYR 20 4.729 1.237 -1.208
154 HB2 TYR 20 HB2 TYR 20 6.710 0.008 -0.567
155 HB3 TYR 20 HB1 TYR 20 6.755 0.820 0.995
156 HD1 TYR 20 HD1 TYR 20 4.711 -1.523 -1.052
157 HD2 TYR 20 HD2 TYR 20 5.648 -0.097 2.848
158 HE1 TYR 20 HE1 TYR 20 3.364 -3.327 -0.069
159 HE2 TYR 20 HE2 TYR 20 4.299 -1.899 3.837
160 HH TYR 20 HH TYR 20 3.165 -4.553 2.005
161 H GLN 21 HN GLN 21 5.761 3.146 1.580
162 HA GLN 21 HA GLN 21 3.470 2.781 3.164
163 HB2 GLN 21 HB2 GLN 21 5.377 5.120 2.982
164 HB3 GLN 21 HB1 GLN 21 4.157 4.937 4.234
165 HG2 GLN 21 HG2 GLN 21 5.223 2.945 5.056
166 HG3 GLN 21 HG1 GLN 21 6.375 2.970 3.720
167 HE21 GLN 21 HE21 GLN 21 8.152 3.076 5.088
168 HE22 GLN 21 HE22 GLN 21 8.549 4.502 5.981
169 H ALA 22 HN ALA 22 4.179 4.981 0.531
170 HA ALA 22 HA ALA 22 1.860 6.586 0.790
171 HB1 ALA 22 HB1 ALA 22 3.616 6.047 -1.597
172 HB2 ALA 22 HB2 ALA 22 3.791 7.364 -0.440
173 HB3 ALA 22 HB3 ALA 22 2.388 7.308 -1.506
174 H ASP 23 HN ASP 23 2.649 3.717 -1.094
175 HA ASP 23 HA ASP 23 0.168 3.577 -2.485
176 HB2 ASP 23 HB2 ASP 23 2.346 2.465 -3.165
177 HB3 ASP 23 HB1 ASP 23 2.048 1.280 -1.892
178 H LEU 24 HN LEU 24 1.435 2.182 0.476
179 HA LEU 24 HA LEU 24 -0.792 0.597 1.166
180 HB2 LEU 24 HB2 LEU 24 1.470 0.442 2.199
181 HB3 LEU 24 HB1 LEU 24 1.207 1.993 2.960
182 HG LEU 24 HG LEU 24 0.939 -0.139 4.367
183 HD11 LEU 24 HD11 LEU 24 0.338 2.068 5.160
184 HD12 LEU 24 HD12 LEU 24 -0.848 0.875 5.688
185 HD13 LEU 24 HD13 LEU 24 -1.221 1.955 4.345
186 HD21 LEU 24 HD21 LEU 24 -1.313 -1.108 4.343
187 HD22 LEU 24 HD22 LEU 24 -0.457 -1.390 2.826
188 HD23 LEU 24 HD23 LEU 24 -1.703 -0.145 2.919
189 H ALA 25 HN ALA 25 -0.007 3.997 1.724
190 HA ALA 25 HA ALA 25 -2.231 4.678 3.287
191 HB1 ALA 25 HB1 ALA 25 -1.814 6.967 2.593
192 HB2 ALA 25 HB2 ALA 25 -0.782 6.396 1.281
193 HB3 ALA 25 HB3 ALA 25 -0.297 6.147 2.958
194 H LYS 26 HN LYS 26 -1.771 4.560 -0.209
195 HA LYS 26 HA LYS 26 -4.291 5.466 -1.013
196 HB2 LYS 26 HB2 LYS 26 -2.419 5.181 -2.565
197 HB3 LYS 26 HB1 LYS 26 -2.452 3.445 -2.319
198 HG2 LYS 26 HG2 LYS 26 -4.928 4.732 -3.319
199 HG3 LYS 26 HG1 LYS 26 -3.561 4.600 -4.425
200 HD2 LYS 26 HD2 LYS 26 -3.472 2.177 -3.987
201 HD3 LYS 26 HD1 LYS 26 -4.875 2.331 -2.929
202 HE2 LYS 26 HE2 LYS 26 -4.827 3.047 -5.857
203 HE3 LYS 26 HE1 LYS 26 -5.447 1.534 -5.198
204 HZ1 LYS 26 HZ1 LYS 26 -7.218 3.117 -5.622
205 HZ2 LYS 26 HZ2 LYS 26 -6.502 4.240 -4.583
206 HZ3 LYS 26 HZ3 LYS 26 -7.101 2.783 -3.970
207 H TYR 27 HN TYR 27 -3.145 2.247 -0.139
208 HA TYR 27 HA TYR 27 -5.532 0.840 -0.640
209 HB2 TYR 27 HB2 TYR 27 -3.452 -0.360 -0.301
210 HB3 TYR 27 HB1 TYR 27 -3.288 0.299 1.318
211 HD1 TYR 27 HD1 TYR 27 -5.355 -1.964 -0.771
212 HD2 TYR 27 HD2 TYR 27 -4.248 -0.806 3.172
213 HE1 TYR 27 HE1 TYR 27 -6.520 -3.930 0.130
214 HE2 TYR 27 HE2 TYR 27 -5.415 -2.766 4.081
215 HH TYR 27 HH TYR 27 -7.084 -4.350 3.519
216 H GLN 28 HN GLN 28 -4.303 2.434 2.272
217 HA GLN 28 HA GLN 28 -6.391 1.718 4.001
218 HB2 GLN 28 HB2 GLN 28 -4.649 4.189 4.023
219 HB3 GLN 28 HB1 GLN 28 -5.703 3.702 5.339
220 HG2 GLN 28 HG2 GLN 28 -4.394 1.636 5.601
221 HG3 GLN 28 HG1 GLN 28 -3.318 2.174 4.313
222 HE21 GLN 28 HE21 GLN 28 -3.491 4.963 5.141
223 HE22 GLN 28 HE22 GLN 28 -2.513 5.102 6.557
224 H LYS 29 HN LYS 29 -5.969 4.535 1.901
225 HA LYS 29 HA LYS 29 -8.185 5.978 2.825
226 HB2 LYS 29 HB2 LYS 29 -6.360 6.966 1.500
227 HB3 LYS 29 HB1 LYS 29 -6.901 6.061 0.090
228 HG2 LYS 29 HG2 LYS 29 -8.961 7.291 0.021
229 HG3 LYS 29 HG1 LYS 29 -8.576 8.098 1.541
230 HD2 LYS 29 HD2 LYS 29 -8.147 9.573 -0.349
231 HD3 LYS 29 HD1 LYS 29 -6.642 9.166 0.476
232 HE2 LYS 29 HE2 LYS 29 -6.167 7.475 -1.230
233 HE3 LYS 29 HE1 LYS 29 -7.672 7.886 -2.052
234 HZ1 LYS 29 HZ1 LYS 29 -6.807 10.134 -2.381
235 HZ2 LYS 29 HZ2 LYS 29 -5.820 8.968 -3.110
236 HZ3 LYS 29 HZ3 LYS 29 -5.348 9.685 -1.654
237 H ASP 30 HN ASP 30 -7.857 3.830 0.013
238 HA ASP 30 HA ASP 30 -10.580 4.020 -0.753
239 HB2 ASP 30 HB2 ASP 30 -8.837 3.278 -2.316
240 HB3 ASP 30 HB1 ASP 30 -8.585 1.824 -1.347
241 H LEU 31 HN LEU 31 -8.809 1.888 1.387
242 HA LEU 31 HA LEU 31 -10.846 0.002 1.883
243 HB2 LEU 31 HB2 LEU 31 -8.453 -0.283 2.497
244 HB3 LEU 31 HB1 LEU 31 -8.651 0.937 3.736
245 HG LEU 31 HG LEU 31 -10.278 -0.530 4.889
246 HD11 LEU 31 HD11 LEU 31 -9.469 -2.522 2.774
247 HD12 LEU 31 HD12 LEU 31 -11.078 -1.842 3.018
248 HD13 LEU 31 HD13 LEU 31 -10.375 -2.903 4.237
249 HD21 LEU 31 HD21 LEU 31 -7.571 -1.735 4.339
250 HD22 LEU 31 HD22 LEU 31 -8.607 -2.113 5.718
251 HD23 LEU 31 HD23 LEU 31 -7.935 -0.492 5.537
252 H ALA 32 HN ALA 32 -9.936 2.975 3.565
253 HA ALA 32 HA ALA 32 -11.937 2.909 5.537
254 HB1 ALA 32 HB1 ALA 32 -9.944 4.326 5.654
255 HB2 ALA 32 HB2 ALA 32 -11.425 5.257 5.866
256 HB3 ALA 32 HB3 ALA 32 -10.570 5.300 4.324
257 H ASP 33 HN ASP 33 -11.851 4.181 2.279
258 HA ASP 33 HA ASP 33 -14.346 5.517 2.352
259 HB2 ASP 33 HB2 ASP 33 -12.778 6.120 0.642
260 HB3 ASP 33 HB1 ASP 33 -12.675 4.459 0.070
261 H TYR 34 HN TYR 34 -13.361 2.254 1.577
262 HA TYR 34 HA TYR 34 -15.992 1.445 0.742
263 HB2 TYR 34 HB2 TYR 34 -14.078 0.353 -0.253
264 HB3 TYR 34 HB1 TYR 34 -13.478 -0.123 1.329
265 HD1 TYR 34 HD1 TYR 34 -16.761 -0.428 -0.449
266 HD2 TYR 34 HD2 TYR 34 -13.639 -2.376 1.681
267 HE1 TYR 34 HE1 TYR 34 -17.967 -2.556 -0.637
268 HE2 TYR 34 HE2 TYR 34 -14.834 -4.505 1.497
269 HH TYR 34 HH TYR 34 -17.539 -4.929 -0.560
270 HN1 NH2 35 HN1 NH2 35 -17.480 1.569 2.286
271 HN2 NH2 35 HN2 NH2 35 -17.384 0.808 3.835
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 -12.784 -0.438 -2.660
2 H2 ACE 0 HA2 ACE 0 -14.399 -1.073 -2.353
3 H3 ACE 0 HA3 ACE 0 -14.135 -0.061 -3.771
4 HA PRO 1 HA PRO 1 -12.743 -3.089 -1.368
5 HB2 PRO 1 HB2 PRO 1 -12.164 -5.763 -1.992
6 HB3 PRO 1 HB1 PRO 1 -13.583 -5.193 -1.096
7 HG2 PRO 1 HG2 PRO 1 -13.330 -5.940 -3.953
8 HG3 PRO 1 HG1 PRO 1 -14.692 -6.166 -2.835
9 HD2 PRO 1 HD2 PRO 1 -14.733 -4.239 -4.705
10 HD3 PRO 1 HD1 PRO 1 -15.443 -3.985 -3.096
11 HA PRO 2 HA PRO 2 -8.778 -2.481 -3.413
12 HB2 PRO 2 HB2 PRO 2 -7.503 -1.389 -1.306
13 HB3 PRO 2 HB1 PRO 2 -8.712 -0.481 -2.240
14 HG2 PRO 2 HG2 PRO 2 -9.007 -1.865 0.383
15 HG3 PRO 2 HG1 PRO 2 -9.617 -0.279 -0.134
16 HD2 PRO 2 HD2 PRO 2 -11.166 -2.533 -0.086
17 HD3 PRO 2 HD1 PRO 2 -11.442 -1.176 -1.194
18 H THR 3 HN THR 3 -7.334 -4.055 -3.698
19 HA THR 3 HA THR 3 -6.844 -6.050 -1.666
20 HB THR 3 HB THR 3 -5.503 -5.697 -4.355
21 HG1 THR 3 HG1 THR 3 -7.941 -6.033 -4.184
22 HG21 THR 3 HG21 THR 3 -5.760 -8.109 -2.555
23 HG22 THR 3 HG22 THR 3 -4.289 -7.177 -2.832
24 HG23 THR 3 HG23 THR 3 -5.013 -8.092 -4.154
25 H LYS 4 HN LYS 4 -4.886 -6.357 -0.573
26 HA LYS 4 HA LYS 4 -3.458 -4.087 0.190
27 HB2 LYS 4 HB2 LYS 4 -2.626 -6.990 0.331
28 HB3 LYS 4 HB1 LYS 4 -1.836 -5.672 1.197
29 HG2 LYS 4 HG2 LYS 4 -3.916 -5.234 2.407
30 HG3 LYS 4 HG1 LYS 4 -4.690 -6.566 1.548
31 HD2 LYS 4 HD2 LYS 4 -2.930 -8.077 2.490
32 HD3 LYS 4 HD1 LYS 4 -2.380 -6.717 3.472
33 HE2 LYS 4 HE2 LYS 4 -3.847 -8.111 4.785
34 HE3 LYS 4 HE1 LYS 4 -4.633 -6.566 4.466
35 HZ1 LYS 4 HZ1 LYS 4 -5.907 -7.612 2.704
36 HZ2 LYS 4 HZ2 LYS 4 -6.150 -8.425 4.164
37 HZ3 LYS 4 HZ3 LYS 4 -5.139 -9.092 2.986
38 HA PRO 5 HA PRO 5 -0.747 -3.222 -3.166
39 HB2 PRO 5 HB2 PRO 5 1.479 -2.446 -1.659
40 HB3 PRO 5 HB1 PRO 5 0.157 -1.386 -2.183
41 HG2 PRO 5 HG2 PRO 5 0.624 -2.656 0.449
42 HG3 PRO 5 HG1 PRO 5 -0.128 -1.095 0.048
43 HD2 PRO 5 HD2 PRO 5 -1.587 -3.240 0.804
44 HD3 PRO 5 HD1 PRO 5 -2.192 -2.037 -0.360
45 H THR 6 HN THR 6 0.326 -4.593 -4.366
46 HA THR 6 HA THR 6 1.537 -6.933 -3.224
47 HB THR 6 HB THR 6 1.608 -6.114 -6.118
48 HG1 THR 6 HG1 THR 6 -0.471 -7.530 -4.764
49 HG21 THR 6 HG21 THR 6 1.602 -8.530 -6.500
50 HG22 THR 6 HG22 THR 6 1.536 -8.810 -4.762
51 HG23 THR 6 HG23 THR 6 2.959 -8.058 -5.479
52 H LYS 7 HN LYS 7 2.551 -3.824 -4.058
53 HA LYS 7 HA LYS 7 5.201 -4.198 -4.845
54 HB2 LYS 7 HB2 LYS 7 4.001 -1.967 -3.196
55 HB3 LYS 7 HB1 LYS 7 5.598 -1.917 -3.928
56 HG2 LYS 7 HG2 LYS 7 2.982 -2.138 -5.406
57 HG3 LYS 7 HG1 LYS 7 3.962 -0.677 -5.243
58 HD2 LYS 7 HD2 LYS 7 5.810 -1.811 -6.420
59 HD3 LYS 7 HD1 LYS 7 4.796 -3.238 -6.615
60 HE2 LYS 7 HE2 LYS 7 4.748 -1.983 -8.660
61 HE3 LYS 7 HE1 LYS 7 3.172 -1.849 -7.883
62 HZ1 LYS 7 HZ1 LYS 7 3.835 0.327 -7.036
63 HZ2 LYS 7 HZ2 LYS 7 3.898 0.282 -8.723
64 HZ3 LYS 7 HZ3 LYS 7 5.325 0.193 -7.823
65 HA PRO 8 HA PRO 8 7.197 -5.912 -1.320
66 HB2 PRO 8 HB2 PRO 8 9.678 -4.772 -1.586
67 HB3 PRO 8 HB1 PRO 8 9.111 -6.134 -2.567
68 HG2 PRO 8 HG2 PRO 8 9.194 -3.236 -3.239
69 HG3 PRO 8 HG1 PRO 8 9.612 -4.640 -4.245
70 HD2 PRO 8 HD2 PRO 8 7.256 -3.370 -4.521
71 HD3 PRO 8 HD1 PRO 8 7.396 -5.134 -4.716
72 H GLY 9 HN GLY 9 6.872 -5.344 0.697
73 HA2 GLY 9 HA2 GLY 9 7.526 -2.591 1.528
74 HA3 GLY 9 HA1 GLY 9 6.072 -3.410 2.077
75 H ASP 10 HN ASP 10 8.727 -5.454 1.746
76 HA ASP 10 HA ASP 10 9.448 -5.177 4.585
77 HB2 ASP 10 HB2 ASP 10 9.075 -7.797 3.117
78 HB3 ASP 10 HB1 ASP 10 9.562 -7.612 4.795
79 H ASN 11 HN ASN 11 10.347 -6.939 1.648
80 HA ASN 11 HA ASN 11 13.155 -6.846 2.369
81 HB2 ASN 11 HB2 ASN 11 13.471 -8.308 0.416
82 HB3 ASN 11 HB1 ASN 11 12.231 -8.936 1.494
83 HD21 ASN 11 HD21 ASN 11 12.716 -9.407 -1.367
84 HD22 ASN 11 HD22 ASN 11 11.238 -8.997 -2.165
85 H ALA 12 HN ALA 12 11.971 -4.340 1.784
86 HA ALA 12 HA ALA 12 13.177 -3.661 -0.810
87 HB1 ALA 12 HB1 ALA 12 10.936 -2.198 0.567
88 HB2 ALA 12 HB2 ALA 12 10.703 -3.434 -0.668
89 HB3 ALA 12 HB3 ALA 12 11.545 -1.940 -1.068
90 H THR 13 HN THR 13 14.026 -1.482 -0.993
91 HA THR 13 HA THR 13 15.688 -0.711 1.192
92 HB THR 13 HB THR 13 16.251 1.229 -0.306
93 HG1 THR 13 HG1 THR 13 15.385 0.781 -2.559
94 HG21 THR 13 HG21 THR 13 17.520 -0.852 -0.385
95 HG22 THR 13 HG22 THR 13 17.379 -0.143 -1.994
96 HG23 THR 13 HG23 THR 13 16.369 -1.519 -1.543
97 HA PRO 14 HA PRO 14 13.236 2.184 3.430
98 HB2 PRO 14 HB2 PRO 14 14.924 4.399 3.503
99 HB3 PRO 14 HB1 PRO 14 15.008 3.021 4.615
100 HG2 PRO 14 HG2 PRO 14 16.626 3.605 2.202
101 HG3 PRO 14 HG1 PRO 14 17.111 2.881 3.757
102 HD2 PRO 14 HD2 PRO 14 16.757 1.359 1.583
103 HD3 PRO 14 HD1 PRO 14 16.298 0.785 3.193
104 H GLU 15 HN GLU 15 14.831 3.472 0.547
105 HA GLU 15 HA GLU 15 13.095 5.658 0.142
106 HB2 GLU 15 HB2 GLU 15 15.281 5.467 -0.963
107 HB3 GLU 15 HB1 GLU 15 14.696 4.084 -1.881
108 HG2 GLU 15 HG2 GLU 15 12.970 5.556 -2.896
109 HG3 GLU 15 HG1 GLU 15 13.711 6.920 -2.062
110 H LYS 16 HN LYS 16 13.078 2.325 -0.973
111 HA LYS 16 HA LYS 16 10.790 2.595 -2.640
112 HB2 LYS 16 HB2 LYS 16 12.504 0.833 -2.947
113 HB3 LYS 16 HB1 LYS 16 12.021 0.119 -1.416
114 HG2 LYS 16 HG2 LYS 16 11.092 -1.102 -3.302
115 HG3 LYS 16 HG1 LYS 16 9.816 -0.374 -2.325
116 HD2 LYS 16 HD2 LYS 16 9.462 1.351 -3.918
117 HD3 LYS 16 HD1 LYS 16 10.927 0.924 -4.803
118 HE2 LYS 16 HE2 LYS 16 8.513 -0.861 -4.514
119 HE3 LYS 16 HE1 LYS 16 8.840 0.165 -5.910
120 HZ1 LYS 16 HZ1 LYS 16 10.928 -1.055 -6.229
121 HZ2 LYS 16 HZ2 LYS 16 9.574 -2.062 -6.353
122 HZ3 LYS 16 HZ3 LYS 16 10.522 -2.087 -4.952
123 H LEU 17 HN LEU 17 11.354 1.559 0.685
124 HA LEU 17 HA LEU 17 8.751 0.720 1.273
125 HB2 LEU 17 HB2 LEU 17 10.876 1.889 3.047
126 HB3 LEU 17 HB1 LEU 17 9.375 1.223 3.650
127 HG LEU 17 HG LEU 17 11.551 -0.273 2.192
128 HD11 LEU 17 HD11 LEU 17 11.810 -1.463 4.284
129 HD12 LEU 17 HD12 LEU 17 10.519 -0.508 5.013
130 HD13 LEU 17 HD13 LEU 17 12.027 0.268 4.536
131 HD21 LEU 17 HD21 LEU 17 8.856 -1.193 3.171
132 HD22 LEU 17 HD22 LEU 17 10.160 -2.268 2.665
133 HD23 LEU 17 HD23 LEU 17 9.431 -1.159 1.503
134 H ALA 18 HN ALA 18 10.250 3.909 1.415
135 HA ALA 18 HA ALA 18 8.129 5.278 2.628
136 HB1 ALA 18 HB1 ALA 18 10.110 6.326 0.616
137 HB2 ALA 18 HB2 ALA 18 10.372 6.224 2.357
138 HB3 ALA 18 HB3 ALA 18 9.128 7.296 1.713
139 H LYS 19 HN LYS 19 8.848 4.633 -0.772
140 HA LYS 19 HA LYS 19 6.550 5.990 -1.767
141 HB2 LYS 19 HB2 LYS 19 8.572 5.582 -3.118
142 HB3 LYS 19 HB1 LYS 19 8.251 3.856 -3.066
143 HG2 LYS 19 HG2 LYS 19 6.353 4.059 -4.430
144 HG3 LYS 19 HG1 LYS 19 6.286 5.809 -4.218
145 HD2 LYS 19 HD2 LYS 19 7.153 5.169 -6.430
146 HD3 LYS 19 HD1 LYS 19 8.338 6.070 -5.484
147 HE2 LYS 19 HE2 LYS 19 9.417 3.951 -4.860
148 HE3 LYS 19 HE1 LYS 19 8.250 3.077 -5.848
149 HZ1 LYS 19 HZ1 LYS 19 10.288 3.393 -7.054
150 HZ2 LYS 19 HZ2 LYS 19 10.230 5.063 -6.815
151 HZ3 LYS 19 HZ3 LYS 19 9.068 4.308 -7.786
152 H TYR 20 HN TYR 20 7.273 2.687 -0.835
153 HA TYR 20 HA TYR 20 4.876 1.476 -1.637
154 HB2 TYR 20 HB2 TYR 20 6.683 0.077 -0.965
155 HB3 TYR 20 HB1 TYR 20 6.804 0.875 0.599
156 HD1 TYR 20 HD1 TYR 20 4.513 -1.232 -1.442
157 HD2 TYR 20 HD2 TYR 20 5.719 -0.031 2.458
158 HE1 TYR 20 HE1 TYR 20 3.050 -2.948 -0.469
159 HE2 TYR 20 HE2 TYR 20 4.255 -1.745 3.439
160 HH TYR 20 HH TYR 20 2.652 -4.143 1.474
161 H GLN 21 HN GLN 21 5.760 3.174 1.342
162 HA GLN 21 HA GLN 21 3.348 2.730 2.714
163 HB2 GLN 21 HB2 GLN 21 5.417 4.904 2.935
164 HB3 GLN 21 HB1 GLN 21 4.010 4.829 3.987
165 HG2 GLN 21 HG2 GLN 21 6.096 2.678 3.702
166 HG3 GLN 21 HG1 GLN 21 5.987 3.838 5.025
167 HE21 GLN 21 HE21 GLN 21 5.836 0.899 5.042
168 HE22 GLN 21 HE22 GLN 21 4.331 0.513 5.796
169 H ALA 22 HN ALA 22 4.222 4.977 0.222
170 HA ALA 22 HA ALA 22 1.988 6.706 0.507
171 HB1 ALA 22 HB1 ALA 22 2.573 7.484 -1.742
172 HB2 ALA 22 HB2 ALA 22 3.703 6.140 -1.909
173 HB3 ALA 22 HB3 ALA 22 3.991 7.391 -0.700
174 H ASP 23 HN ASP 23 2.632 3.784 -1.369
175 HA ASP 23 HA ASP 23 0.050 3.772 -2.621
176 HB2 ASP 23 HB2 ASP 23 2.119 2.630 -3.542
177 HB3 ASP 23 HB1 ASP 23 1.916 1.411 -2.283
178 H LEU 24 HN LEU 24 1.497 2.413 0.244
179 HA LEU 24 HA LEU 24 -0.607 0.772 1.119
180 HB2 LEU 24 HB2 LEU 24 1.776 0.972 2.022
181 HB3 LEU 24 HB1 LEU 24 1.241 2.409 2.860
182 HG LEU 24 HG LEU 24 1.380 0.273 4.218
183 HD11 LEU 24 HD11 LEU 24 -1.233 1.764 4.130
184 HD12 LEU 24 HD12 LEU 24 0.210 2.223 5.033
185 HD13 LEU 24 HD13 LEU 24 -0.674 0.759 5.465
186 HD21 LEU 24 HD21 LEU 24 -0.508 -1.254 4.075
187 HD22 LEU 24 HD22 LEU 24 0.393 -1.221 2.559
188 HD23 LEU 24 HD23 LEU 24 -1.139 -0.362 2.694
189 H ALA 25 HN ALA 25 0.068 4.219 1.564
190 HA ALA 25 HA ALA 25 -2.160 4.878 3.133
191 HB1 ALA 25 HB1 ALA 25 -0.732 6.573 1.091
192 HB2 ALA 25 HB2 ALA 25 -0.269 6.385 2.782
193 HB3 ALA 25 HB3 ALA 25 -1.795 7.165 2.368
194 H LYS 26 HN LYS 26 -1.715 4.784 -0.371
195 HA LYS 26 HA LYS 26 -4.259 5.580 -1.187
196 HB2 LYS 26 HB2 LYS 26 -2.382 5.275 -2.738
197 HB3 LYS 26 HB1 LYS 26 -2.401 3.547 -2.439
198 HG2 LYS 26 HG2 LYS 26 -4.695 3.467 -3.390
199 HG3 LYS 26 HG1 LYS 26 -4.521 5.168 -3.821
200 HD2 LYS 26 HD2 LYS 26 -2.596 4.634 -5.214
201 HD3 LYS 26 HD1 LYS 26 -2.717 2.937 -4.752
202 HE2 LYS 26 HE2 LYS 26 -3.697 3.278 -6.939
203 HE3 LYS 26 HE1 LYS 26 -4.943 2.831 -5.778
204 HZ1 LYS 26 HZ1 LYS 26 -5.674 4.634 -7.199
205 HZ2 LYS 26 HZ2 LYS 26 -4.366 5.588 -6.712
206 HZ3 LYS 26 HZ3 LYS 26 -5.558 5.160 -5.596
207 H TYR 27 HN TYR 27 -3.021 2.431 -0.229
208 HA TYR 27 HA TYR 27 -5.333 0.915 -0.731
209 HB2 TYR 27 HB2 TYR 27 -3.258 -0.224 -0.371
210 HB3 TYR 27 HB1 TYR 27 -3.039 0.543 1.193
211 HD1 TYR 27 HD1 TYR 27 -5.470 -1.683 -0.569
212 HD2 TYR 27 HD2 TYR 27 -3.528 -0.694 3.081
213 HE1 TYR 27 HE1 TYR 27 -6.533 -3.613 0.510
214 HE2 TYR 27 HE2 TYR 27 -4.582 -2.625 4.168
215 HH TYR 27 HH TYR 27 -6.306 -5.035 2.374
216 H GLN 28 HN GLN 28 -4.185 2.480 2.244
217 HA GLN 28 HA GLN 28 -6.383 1.734 3.838
218 HB2 GLN 28 HB2 GLN 28 -4.482 4.067 4.109
219 HB3 GLN 28 HB1 GLN 28 -5.644 3.588 5.339
220 HG2 GLN 28 HG2 GLN 28 -4.535 1.389 5.496
221 HG3 GLN 28 HG1 GLN 28 -3.341 1.930 4.317
222 HE21 GLN 28 HE21 GLN 28 -3.319 4.652 5.420
223 HE22 GLN 28 HE22 GLN 28 -2.410 4.550 6.886
224 H LYS 29 HN LYS 29 -5.864 4.370 1.623
225 HA LYS 29 HA LYS 29 -7.937 6.080 2.373
226 HB2 LYS 29 HB2 LYS 29 -6.214 6.736 0.788
227 HB3 LYS 29 HB1 LYS 29 -6.762 5.522 -0.358
228 HG2 LYS 29 HG2 LYS 29 -8.892 6.724 -0.587
229 HG3 LYS 29 HG1 LYS 29 -8.296 7.956 0.527
230 HD2 LYS 29 HD2 LYS 29 -6.459 8.457 -1.010
231 HD3 LYS 29 HD1 LYS 29 -7.049 7.220 -2.120
232 HE2 LYS 29 HE2 LYS 29 -8.558 9.690 -1.275
233 HE3 LYS 29 HE1 LYS 29 -7.721 9.477 -2.810
234 HZ1 LYS 29 HZ1 LYS 29 -10.084 9.065 -3.032
235 HZ2 LYS 29 HZ2 LYS 29 -10.019 7.858 -1.854
236 HZ3 LYS 29 HZ3 LYS 29 -9.214 7.645 -3.325
237 H ASP 30 HN ASP 30 -7.950 3.627 -0.219
238 HA ASP 30 HA ASP 30 -10.755 3.757 -0.602
239 HB2 ASP 30 HB2 ASP 30 -8.669 1.763 -1.452
240 HB3 ASP 30 HB1 ASP 30 -10.382 1.506 -1.779
241 H LEU 31 HN LEU 31 -8.695 1.880 1.484
242 HA LEU 31 HA LEU 31 -10.547 -0.138 2.176
243 HB2 LEU 31 HB2 LEU 31 -8.087 -0.225 2.584
244 HB3 LEU 31 HB1 LEU 31 -8.296 0.964 3.855
245 HG LEU 31 HG LEU 31 -9.687 -0.625 5.117
246 HD11 LEU 31 HD11 LEU 31 -10.622 -1.939 3.328
247 HD12 LEU 31 HD12 LEU 31 -9.713 -2.995 4.406
248 HD13 LEU 31 HD13 LEU 31 -9.020 -2.508 2.860
249 HD21 LEU 31 HD21 LEU 31 -7.303 -0.499 5.541
250 HD22 LEU 31 HD22 LEU 31 -6.998 -1.680 4.267
251 HD23 LEU 31 HD23 LEU 31 -7.876 -2.158 5.721
252 H ALA 32 HN ALA 32 -9.702 2.923 3.767
253 HA ALA 32 HA ALA 32 -11.544 2.739 5.878
254 HB1 ALA 32 HB1 ALA 32 -10.434 5.190 4.527
255 HB2 ALA 32 HB2 ALA 32 -9.699 4.326 5.877
256 HB3 ALA 32 HB3 ALA 32 -11.239 5.158 6.095
257 H ASP 33 HN ASP 33 -11.828 3.806 2.584
258 HA ASP 33 HA ASP 33 -14.430 4.959 2.862
259 HB2 ASP 33 HB2 ASP 33 -12.820 5.604 1.070
260 HB3 ASP 33 HB1 ASP 33 -13.023 4.009 0.356
261 H TYR 34 HN TYR 34 -13.151 1.814 2.279
262 HA TYR 34 HA TYR 34 -15.610 0.721 1.226
263 HB2 TYR 34 HB2 TYR 34 -13.380 -0.046 0.435
264 HB3 TYR 34 HB1 TYR 34 -13.056 -0.679 2.044
265 HD1 TYR 34 HD1 TYR 34 -15.677 -0.914 -0.595
266 HD2 TYR 34 HD2 TYR 34 -13.401 -2.935 2.368
267 HE1 TYR 34 HE1 TYR 34 -16.717 -3.032 -1.251
268 HE2 TYR 34 HE2 TYR 34 -14.441 -5.062 1.727
269 HH TYR 34 HH TYR 34 -16.423 -5.354 -1.109
270 HN1 NH2 35 HN1 NH2 35 -16.984 1.181 2.989
271 HN2 NH2 35 HN2 NH2 35 -16.961 0.216 4.423
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 -13.607 -1.931 -2.851
2 H2 ACE 0 HA2 ACE 0 -14.848 -2.920 -2.084
3 H3 ACE 0 HA3 ACE 0 -15.107 -2.352 -3.730
4 HA PRO 1 HA PRO 1 -12.711 -3.911 -0.909
5 HB2 PRO 1 HB2 PRO 1 -11.257 -6.279 -0.730
6 HB3 PRO 1 HB1 PRO 1 -12.834 -5.997 0.027
7 HG2 PRO 1 HG2 PRO 1 -12.175 -7.431 -2.480
8 HG3 PRO 1 HG1 PRO 1 -13.422 -7.777 -1.265
9 HD2 PRO 1 HD2 PRO 1 -14.029 -6.635 -3.633
10 HD3 PRO 1 HD1 PRO 1 -14.900 -6.229 -2.138
11 HA PRO 2 HA PRO 2 -9.084 -2.473 -3.053
12 HB2 PRO 2 HB2 PRO 2 -7.686 -1.643 -0.831
13 HB3 PRO 2 HB1 PRO 2 -8.973 -0.696 -1.608
14 HG2 PRO 2 HG2 PRO 2 -9.088 -2.397 0.827
15 HG3 PRO 2 HG1 PRO 2 -9.867 -0.839 0.492
16 HD2 PRO 2 HD2 PRO 2 -11.217 -3.178 0.361
17 HD3 PRO 2 HD1 PRO 2 -11.598 -1.799 -0.689
18 H THR 3 HN THR 3 -7.092 -3.265 -3.563
19 HA THR 3 HA THR 3 -6.254 -5.703 -2.204
20 HB THR 3 HB THR 3 -5.127 -4.466 -4.717
21 HG1 THR 3 HG1 THR 3 -7.383 -6.062 -4.238
22 HG21 THR 3 HG21 THR 3 -4.970 -7.274 -3.616
23 HG22 THR 3 HG22 THR 3 -3.657 -6.096 -3.623
24 HG23 THR 3 HG23 THR 3 -4.285 -6.726 -5.147
25 H LYS 4 HN LYS 4 -4.408 -5.876 -1.060
26 HA LYS 4 HA LYS 4 -3.219 -3.544 0.005
27 HB2 LYS 4 HB2 LYS 4 -2.363 -6.444 0.123
28 HB3 LYS 4 HB1 LYS 4 -1.655 -5.156 1.095
29 HG2 LYS 4 HG2 LYS 4 -3.686 -4.813 2.270
30 HG3 LYS 4 HG1 LYS 4 -4.579 -5.842 1.152
31 HD2 LYS 4 HD2 LYS 4 -4.140 -6.989 3.261
32 HD3 LYS 4 HD1 LYS 4 -3.317 -7.784 1.918
33 HE2 LYS 4 HE2 LYS 4 -1.229 -6.707 2.543
34 HE3 LYS 4 HE1 LYS 4 -2.044 -5.850 3.851
35 HZ1 LYS 4 HZ1 LYS 4 -2.500 -7.944 4.925
36 HZ2 LYS 4 HZ2 LYS 4 -0.841 -7.816 4.622
37 HZ3 LYS 4 HZ3 LYS 4 -1.802 -8.803 3.642
38 HA PRO 5 HA PRO 5 -0.011 -2.428 -2.791
39 HB2 PRO 5 HB2 PRO 5 2.156 -2.303 -1.026
40 HB3 PRO 5 HB1 PRO 5 1.019 -0.984 -1.371
41 HG2 PRO 5 HG2 PRO 5 1.063 -2.895 0.905
42 HG3 PRO 5 HG1 PRO 5 0.627 -1.171 0.871
43 HD2 PRO 5 HD2 PRO 5 -1.268 -3.058 1.005
44 HD3 PRO 5 HD1 PRO 5 -1.504 -1.589 0.024
45 H THR 6 HN THR 6 0.743 -3.812 -4.199
46 HA THR 6 HA THR 6 1.772 -6.390 -3.446
47 HB THR 6 HB THR 6 1.779 -5.161 -6.197
48 HG1 THR 6 HG1 THR 6 -0.324 -6.502 -4.802
49 HG21 THR 6 HG21 THR 6 1.577 -7.492 -6.933
50 HG22 THR 6 HG22 THR 6 1.606 -8.024 -5.252
51 HG23 THR 6 HG23 THR 6 3.026 -7.253 -5.957
52 H LYS 7 HN LYS 7 3.032 -3.293 -3.923
53 HA LYS 7 HA LYS 7 5.553 -3.778 -5.029
54 HB2 LYS 7 HB2 LYS 7 4.828 -1.664 -2.992
55 HB3 LYS 7 HB1 LYS 7 6.200 -1.625 -4.086
56 HG2 LYS 7 HG2 LYS 7 4.641 -1.539 -5.998
57 HG3 LYS 7 HG1 LYS 7 3.293 -1.488 -4.857
58 HD2 LYS 7 HD2 LYS 7 4.338 0.576 -3.868
59 HD3 LYS 7 HD1 LYS 7 5.487 0.556 -5.205
60 HE2 LYS 7 HE2 LYS 7 2.489 0.833 -5.396
61 HE3 LYS 7 HE1 LYS 7 3.687 2.086 -5.706
62 HZ1 LYS 7 HZ1 LYS 7 2.841 1.130 -7.752
63 HZ2 LYS 7 HZ2 LYS 7 3.358 -0.411 -7.283
64 HZ3 LYS 7 HZ3 LYS 7 4.494 0.807 -7.586
65 HA PRO 8 HA PRO 8 7.886 -5.823 -1.889
66 HB2 PRO 8 HB2 PRO 8 10.294 -4.506 -2.106
67 HB3 PRO 8 HB1 PRO 8 9.760 -5.789 -3.208
68 HG2 PRO 8 HG2 PRO 8 9.675 -2.838 -3.562
69 HG3 PRO 8 HG1 PRO 8 10.088 -4.106 -4.737
70 HD2 PRO 8 HD2 PRO 8 7.671 -2.915 -4.750
71 HD3 PRO 8 HD1 PRO 8 7.865 -4.639 -5.148
72 H GLY 9 HN GLY 9 7.743 -5.563 0.227
73 HA2 GLY 9 HA2 GLY 9 8.530 -3.024 1.438
74 HA3 GLY 9 HA1 GLY 9 6.880 -3.567 1.701
75 H ASP 10 HN ASP 10 9.385 -5.903 1.415
76 HA ASP 10 HA ASP 10 9.266 -6.347 4.325
77 HB2 ASP 10 HB2 ASP 10 9.410 -8.361 2.082
78 HB3 ASP 10 HB1 ASP 10 9.713 -8.771 3.764
79 H ASN 11 HN ASN 11 11.246 -6.813 1.439
80 HA ASN 11 HA ASN 11 13.643 -6.395 3.099
81 HB2 ASN 11 HB2 ASN 11 13.312 -8.281 0.754
82 HB3 ASN 11 HB1 ASN 11 14.866 -7.860 1.464
83 HD21 ASN 11 HD21 ASN 11 13.572 -10.451 1.248
84 HD22 ASN 11 HD22 ASN 11 13.445 -11.057 2.862
85 H ALA 12 HN ALA 12 12.258 -4.337 1.944
86 HA ALA 12 HA ALA 12 13.760 -3.657 -0.486
87 HB1 ALA 12 HB1 ALA 12 11.984 -2.180 -1.072
88 HB2 ALA 12 HB2 ALA 12 11.230 -2.371 0.510
89 HB3 ALA 12 HB3 ALA 12 11.266 -3.724 -0.617
90 H THR 13 HN THR 13 14.513 -1.495 -0.731
91 HA THR 13 HA THR 13 15.879 -0.482 1.525
92 HB THR 13 HB THR 13 16.449 1.421 0.004
93 HG1 THR 13 HG1 THR 13 15.726 0.752 -2.301
94 HG21 THR 13 HG21 THR 13 17.716 0.050 -1.606
95 HG22 THR 13 HG22 THR 13 16.773 -1.359 -1.115
96 HG23 THR 13 HG23 THR 13 17.838 -0.563 0.043
97 HA PRO 14 HA PRO 14 13.085 2.339 3.452
98 HB2 PRO 14 HB2 PRO 14 14.703 4.602 3.626
99 HB3 PRO 14 HB1 PRO 14 14.699 3.265 4.788
100 HG2 PRO 14 HG2 PRO 14 16.555 3.817 2.547
101 HG3 PRO 14 HG1 PRO 14 16.882 3.144 4.165
102 HD2 PRO 14 HD2 PRO 14 16.798 1.557 2.005
103 HD3 PRO 14 HD1 PRO 14 16.184 1.011 3.575
104 H GLU 15 HN GLU 15 14.927 3.545 0.706
105 HA GLU 15 HA GLU 15 13.237 5.696 0.033
106 HB2 GLU 15 HB2 GLU 15 15.540 5.437 -0.809
107 HB3 GLU 15 HB1 GLU 15 15.033 4.039 -1.747
108 HG2 GLU 15 HG2 GLU 15 13.500 5.491 -3.028
109 HG3 GLU 15 HG1 GLU 15 14.097 6.876 -2.116
110 H LYS 16 HN LYS 16 13.296 2.305 -0.866
111 HA LYS 16 HA LYS 16 11.170 2.493 -2.773
112 HB2 LYS 16 HB2 LYS 16 13.009 0.757 -2.763
113 HB3 LYS 16 HB1 LYS 16 12.223 0.033 -1.368
114 HG2 LYS 16 HG2 LYS 16 11.602 -1.199 -3.312
115 HG3 LYS 16 HG1 LYS 16 10.190 -0.295 -2.760
116 HD2 LYS 16 HD2 LYS 16 10.484 1.348 -4.470
117 HD3 LYS 16 HD1 LYS 16 12.046 0.668 -4.929
118 HE2 LYS 16 HE2 LYS 16 10.918 -1.399 -5.632
119 HE3 LYS 16 HE1 LYS 16 9.364 -0.681 -5.207
120 HZ1 LYS 16 HZ1 LYS 16 9.672 0.986 -6.881
121 HZ2 LYS 16 HZ2 LYS 16 9.877 -0.537 -7.589
122 HZ3 LYS 16 HZ3 LYS 16 11.227 0.419 -7.238
123 H LEU 17 HN LEU 17 11.487 1.628 0.621
124 HA LEU 17 HA LEU 17 8.906 0.659 1.064
125 HB2 LEU 17 HB2 LEU 17 10.789 2.094 2.920
126 HB3 LEU 17 HB1 LEU 17 9.292 1.362 3.444
127 HG LEU 17 HG LEU 17 11.685 -0.067 2.291
128 HD11 LEU 17 HD11 LEU 17 11.891 0.710 4.624
129 HD12 LEU 17 HD12 LEU 17 11.877 -1.045 4.486
130 HD13 LEU 17 HD13 LEU 17 10.433 -0.196 5.030
131 HD21 LEU 17 HD21 LEU 17 8.985 -1.117 3.124
132 HD22 LEU 17 HD22 LEU 17 10.398 -2.123 2.812
133 HD23 LEU 17 HD23 LEU 17 9.695 -1.165 1.510
134 H ALA 18 HN ALA 18 10.091 3.907 0.722
135 HA ALA 18 HA ALA 18 7.973 5.285 1.927
136 HB1 ALA 18 HB1 ALA 18 9.681 6.143 -0.399
137 HB2 ALA 18 HB2 ALA 18 10.085 6.345 1.305
138 HB3 ALA 18 HB3 ALA 18 8.704 7.202 0.620
139 H LYS 19 HN LYS 19 8.433 4.106 -1.372
140 HA LYS 19 HA LYS 19 5.957 5.131 -2.340
141 HB2 LYS 19 HB2 LYS 19 7.902 4.587 -3.787
142 HB3 LYS 19 HB1 LYS 19 7.651 2.885 -3.447
143 HG2 LYS 19 HG2 LYS 19 6.765 3.556 -5.632
144 HG3 LYS 19 HG1 LYS 19 5.514 2.928 -4.561
145 HD2 LYS 19 HD2 LYS 19 4.763 4.913 -5.802
146 HD3 LYS 19 HD1 LYS 19 4.769 5.186 -4.062
147 HE2 LYS 19 HE2 LYS 19 5.646 7.123 -5.243
148 HE3 LYS 19 HE1 LYS 19 6.896 6.377 -4.256
149 HZ1 LYS 19 HZ1 LYS 19 7.821 5.353 -6.210
150 HZ2 LYS 19 HZ2 LYS 19 7.691 7.018 -6.462
151 HZ3 LYS 19 HZ3 LYS 19 6.576 5.965 -7.179
152 H TYR 20 HN TYR 20 7.031 2.121 -0.928
153 HA TYR 20 HA TYR 20 4.692 0.602 -1.272
154 HB2 TYR 20 HB2 TYR 20 6.824 -0.364 -0.563
155 HB3 TYR 20 HB1 TYR 20 6.763 0.554 0.935
156 HD1 TYR 20 HD1 TYR 20 4.975 -2.101 -0.963
157 HD2 TYR 20 HD2 TYR 20 5.776 -0.374 2.843
158 HE1 TYR 20 HE1 TYR 20 3.789 -3.958 0.122
159 HE2 TYR 20 HE2 TYR 20 4.597 -2.235 3.939
160 HH TYR 20 HH TYR 20 3.719 -5.081 2.304
161 H GLN 21 HN GLN 21 5.742 2.742 1.361
162 HA GLN 21 HA GLN 21 3.414 2.500 2.934
163 HB2 GLN 21 HB2 GLN 21 5.459 4.708 2.736
164 HB3 GLN 21 HB1 GLN 21 4.171 4.684 3.929
165 HG2 GLN 21 HG2 GLN 21 5.051 2.585 4.831
166 HG3 GLN 21 HG1 GLN 21 6.350 2.630 3.638
167 HE21 GLN 21 HE21 GLN 21 7.929 2.693 5.258
168 HE22 GLN 21 HE22 GLN 21 8.231 4.124 6.180
169 H ALA 22 HN ALA 22 4.247 4.577 0.236
170 HA ALA 22 HA ALA 22 2.066 6.356 0.466
171 HB1 ALA 22 HB1 ALA 22 2.595 7.016 -1.808
172 HB2 ALA 22 HB2 ALA 22 3.594 5.577 -2.013
173 HB3 ALA 22 HB3 ALA 22 4.078 6.831 -0.872
174 H ASP 23 HN ASP 23 2.547 3.336 -1.300
175 HA ASP 23 HA ASP 23 -0.042 3.365 -2.510
176 HB2 ASP 23 HB2 ASP 23 2.035 2.087 -3.309
177 HB3 ASP 23 HB1 ASP 23 1.652 0.906 -2.054
178 H LEU 24 HN LEU 24 1.335 2.112 0.436
179 HA LEU 24 HA LEU 24 -0.886 0.633 1.358
180 HB2 LEU 24 HB2 LEU 24 1.409 0.496 2.305
181 HB3 LEU 24 HB1 LEU 24 1.223 2.117 2.935
182 HG LEU 24 HG LEU 24 0.956 0.116 4.534
183 HD11 LEU 24 HD11 LEU 24 0.479 2.408 5.161
184 HD12 LEU 24 HD12 LEU 24 -0.715 1.309 5.853
185 HD13 LEU 24 HD13 LEU 24 -1.127 2.286 4.442
186 HD21 LEU 24 HD21 LEU 24 -0.555 -1.220 3.215
187 HD22 LEU 24 HD22 LEU 24 -1.734 0.089 3.183
188 HD23 LEU 24 HD23 LEU 24 -1.358 -0.718 4.704
189 H ALA 25 HN ALA 25 0.025 4.039 1.707
190 HA ALA 25 HA ALA 25 -2.134 4.853 3.303
191 HB1 ALA 25 HB1 ALA 25 -0.183 6.251 2.911
192 HB2 ALA 25 HB2 ALA 25 -1.661 7.103 2.465
193 HB3 ALA 25 HB3 ALA 25 -0.627 6.415 1.214
194 H LYS 26 HN LYS 26 -1.776 4.465 -0.160
195 HA LYS 26 HA LYS 26 -4.274 5.487 -0.970
196 HB2 LYS 26 HB2 LYS 26 -2.352 5.005 -2.479
197 HB3 LYS 26 HB1 LYS 26 -2.635 3.290 -2.250
198 HG2 LYS 26 HG2 LYS 26 -4.897 3.586 -3.223
199 HG3 LYS 26 HG1 LYS 26 -4.478 5.265 -3.570
200 HD2 LYS 26 HD2 LYS 26 -2.998 2.845 -4.602
201 HD3 LYS 26 HD1 LYS 26 -4.163 3.795 -5.522
202 HE2 LYS 26 HE2 LYS 26 -1.583 4.840 -4.360
203 HE3 LYS 26 HE1 LYS 26 -1.833 4.394 -6.045
204 HZ1 LYS 26 HZ1 LYS 26 -3.485 6.127 -6.239
205 HZ2 LYS 26 HZ2 LYS 26 -2.032 6.785 -5.684
206 HZ3 LYS 26 HZ3 LYS 26 -3.309 6.531 -4.608
207 H TYR 27 HN TYR 27 -3.196 2.263 -0.033
208 HA TYR 27 HA TYR 27 -5.592 0.873 -0.472
209 HB2 TYR 27 HB2 TYR 27 -3.554 -0.357 -0.096
210 HB3 TYR 27 HB1 TYR 27 -3.322 0.403 1.471
211 HD1 TYR 27 HD1 TYR 27 -5.415 -2.011 -0.394
212 HD2 TYR 27 HD2 TYR 27 -4.312 -0.501 3.426
213 HE1 TYR 27 HE1 TYR 27 -6.584 -3.884 0.676
214 HE2 TYR 27 HE2 TYR 27 -5.481 -2.371 4.506
215 HH TYR 27 HH TYR 27 -6.510 -5.116 2.814
216 H GLN 28 HN GLN 28 -4.360 2.561 2.380
217 HA GLN 28 HA GLN 28 -6.476 1.953 4.120
218 HB2 GLN 28 HB2 GLN 28 -4.656 4.368 4.048
219 HB3 GLN 28 HB1 GLN 28 -5.741 3.985 5.377
220 HG2 GLN 28 HG2 GLN 28 -4.529 1.920 5.806
221 HG3 GLN 28 HG1 GLN 28 -3.472 2.244 4.431
222 HE21 GLN 28 HE21 GLN 28 -2.843 1.914 7.274
223 HE22 GLN 28 HE22 GLN 28 -2.011 3.356 7.737
224 H LYS 29 HN LYS 29 -6.025 4.551 1.787
225 HA LYS 29 HA LYS 29 -8.209 6.135 2.556
226 HB2 LYS 29 HB2 LYS 29 -6.333 6.851 1.056
227 HB3 LYS 29 HB1 LYS 29 -7.053 5.882 -0.225
228 HG2 LYS 29 HG2 LYS 29 -9.040 7.260 -0.195
229 HG3 LYS 29 HG1 LYS 29 -8.409 8.187 1.163
230 HD2 LYS 29 HD2 LYS 29 -8.055 9.458 -0.832
231 HD3 LYS 29 HD1 LYS 29 -6.491 8.865 -0.278
232 HE2 LYS 29 HE2 LYS 29 -6.673 8.632 -2.683
233 HE3 LYS 29 HE1 LYS 29 -6.611 7.047 -1.920
234 HZ1 LYS 29 HZ1 LYS 29 -9.057 8.411 -2.915
235 HZ2 LYS 29 HZ2 LYS 29 -9.028 6.909 -2.140
236 HZ3 LYS 29 HZ3 LYS 29 -8.282 7.096 -3.642
237 H ASP 30 HN ASP 30 -7.934 3.607 0.074
238 HA ASP 30 HA ASP 30 -10.661 3.742 -0.723
239 HB2 ASP 30 HB2 ASP 30 -8.758 2.688 -2.037
240 HB3 ASP 30 HB1 ASP 30 -8.890 1.304 -0.947
241 H LEU 31 HN LEU 31 -8.899 1.789 1.605
242 HA LEU 31 HA LEU 31 -10.982 0.057 2.367
243 HB2 LEU 31 HB2 LEU 31 -8.600 -0.312 2.884
244 HB3 LEU 31 HB1 LEU 31 -8.619 1.070 3.956
245 HG LEU 31 HG LEU 31 -10.224 -0.116 5.423
246 HD11 LEU 31 HD11 LEU 31 -9.727 -2.419 3.540
247 HD12 LEU 31 HD12 LEU 31 -11.263 -1.592 3.805
248 HD13 LEU 31 HD13 LEU 31 -10.533 -2.535 5.103
249 HD21 LEU 31 HD21 LEU 31 -8.588 -1.699 6.319
250 HD22 LEU 31 HD22 LEU 31 -7.834 -0.170 5.867
251 HD23 LEU 31 HD23 LEU 31 -7.660 -1.579 4.823
252 H ALA 32 HN ALA 32 -10.073 3.274 3.410
253 HA ALA 32 HA ALA 32 -11.715 3.486 5.673
254 HB1 ALA 32 HB1 ALA 32 -10.807 5.639 3.778
255 HB2 ALA 32 HB2 ALA 32 -9.920 5.058 5.189
256 HB3 ALA 32 HB3 ALA 32 -11.458 5.898 5.396
257 H ASP 33 HN ASP 33 -12.313 4.069 2.259
258 HA ASP 33 HA ASP 33 -14.960 5.077 2.679
259 HB2 ASP 33 HB2 ASP 33 -13.665 5.679 0.665
260 HB3 ASP 33 HB1 ASP 33 -13.700 3.998 0.143
261 H TYR 34 HN TYR 34 -13.564 1.985 1.703
262 HA TYR 34 HA TYR 34 -16.196 0.769 1.534
263 HB2 TYR 34 HB2 TYR 34 -14.394 0.294 -0.136
264 HB3 TYR 34 HB1 TYR 34 -13.481 -0.500 1.142
265 HD1 TYR 34 HD1 TYR 34 -16.739 -0.637 -0.655
266 HD2 TYR 34 HD2 TYR 34 -13.808 -2.759 1.579
267 HE1 TYR 34 HE1 TYR 34 -17.910 -2.738 -1.124
268 HE2 TYR 34 HE2 TYR 34 -14.972 -4.868 1.113
269 HH TYR 34 HH TYR 34 -17.374 -5.167 -1.236
270 HN1 NH2 35 HN1 NH2 35 -16.785 0.930 3.729
271 HN2 NH2 35 HN2 NH2 35 -16.136 -0.141 4.919
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 -14.673 -0.919 -3.374
2 H2 ACE 0 HA2 ACE 0 -13.674 -1.248 -1.960
3 H3 ACE 0 HA3 ACE 0 -15.279 -1.970 -2.060
4 HA PRO 1 HA PRO 1 -12.888 -3.411 -0.700
5 HB2 PRO 1 HB2 PRO 1 -11.768 -5.957 -0.968
6 HB3 PRO 1 HB1 PRO 1 -13.283 -5.589 -0.121
7 HG2 PRO 1 HG2 PRO 1 -12.864 -6.628 -2.870
8 HG3 PRO 1 HG1 PRO 1 -14.120 -7.034 -1.682
9 HD2 PRO 1 HD2 PRO 1 -14.656 -5.421 -3.755
10 HD3 PRO 1 HD1 PRO 1 -15.371 -5.131 -2.153
11 HA PRO 2 HA PRO 2 -9.139 -2.058 -2.648
12 HB2 PRO 2 HB2 PRO 2 -7.598 -1.865 -0.381
13 HB3 PRO 2 HB1 PRO 2 -8.788 -0.647 -0.875
14 HG2 PRO 2 HG2 PRO 2 -9.044 -2.824 1.133
15 HG3 PRO 2 HG1 PRO 2 -9.609 -1.144 1.208
16 HD2 PRO 2 HD2 PRO 2 -11.292 -3.166 0.645
17 HD3 PRO 2 HD1 PRO 2 -11.471 -1.564 -0.099
18 H THR 3 HN THR 3 -7.459 -3.074 -3.552
19 HA THR 3 HA THR 3 -6.805 -5.769 -2.718
20 HB THR 3 HB THR 3 -5.583 -4.164 -4.966
21 HG1 THR 3 HG1 THR 3 -7.289 -5.762 -6.039
22 HG21 THR 3 HG21 THR 3 -5.859 -7.141 -4.557
23 HG22 THR 3 HG22 THR 3 -4.382 -6.210 -4.311
24 HG23 THR 3 HG23 THR 3 -5.081 -6.345 -5.925
25 H LYS 4 HN LYS 4 -5.087 -6.282 -1.492
26 HA LYS 4 HA LYS 4 -3.473 -4.286 -0.323
27 HB2 LYS 4 HB2 LYS 4 -3.172 -7.288 -0.419
28 HB3 LYS 4 HB1 LYS 4 -2.109 -6.238 0.517
29 HG2 LYS 4 HG2 LYS 4 -4.065 -5.429 1.773
30 HG3 LYS 4 HG1 LYS 4 -5.082 -6.552 0.872
31 HD2 LYS 4 HD2 LYS 4 -3.852 -8.433 1.775
32 HD3 LYS 4 HD1 LYS 4 -2.741 -7.336 2.598
33 HE2 LYS 4 HE2 LYS 4 -4.611 -6.456 3.922
34 HE3 LYS 4 HE1 LYS 4 -5.701 -7.580 3.115
35 HZ1 LYS 4 HZ1 LYS 4 -4.461 -9.414 4.047
36 HZ2 LYS 4 HZ2 LYS 4 -4.997 -8.395 5.281
37 HZ3 LYS 4 HZ3 LYS 4 -3.379 -8.352 4.793
38 HA PRO 5 HA PRO 5 -0.578 -3.502 -3.542
39 HB2 PRO 5 HB2 PRO 5 1.540 -2.743 -1.900
40 HB3 PRO 5 HB1 PRO 5 0.252 -1.670 -2.481
41 HG2 PRO 5 HG2 PRO 5 0.548 -3.012 0.149
42 HG3 PRO 5 HG1 PRO 5 -0.118 -1.412 -0.250
43 HD2 PRO 5 HD2 PRO 5 -1.709 -3.498 0.359
44 HD3 PRO 5 HD1 PRO 5 -2.185 -2.263 -0.832
45 H THR 6 HN THR 6 0.317 -5.084 -4.603
46 HA THR 6 HA THR 6 1.602 -7.306 -3.312
47 HB THR 6 HB THR 6 1.456 -6.690 -6.261
48 HG1 THR 6 HG1 THR 6 -0.444 -7.798 -4.463
49 HG21 THR 6 HG21 THR 6 1.698 -9.289 -4.744
50 HG22 THR 6 HG22 THR 6 2.978 -8.506 -5.670
51 HG23 THR 6 HG23 THR 6 1.552 -9.136 -6.494
52 H LYS 7 HN LYS 7 2.549 -4.267 -4.194
53 HA LYS 7 HA LYS 7 5.156 -4.745 -5.223
54 HB2 LYS 7 HB2 LYS 7 4.136 -2.268 -3.834
55 HB3 LYS 7 HB1 LYS 7 5.484 -2.373 -4.952
56 HG2 LYS 7 HG2 LYS 7 2.604 -2.891 -5.658
57 HG3 LYS 7 HG1 LYS 7 3.480 -1.391 -5.975
58 HD2 LYS 7 HD2 LYS 7 4.998 -2.539 -7.463
59 HD3 LYS 7 HD1 LYS 7 4.280 -4.098 -7.058
60 HE2 LYS 7 HE2 LYS 7 3.490 -3.266 -9.224
61 HE3 LYS 7 HE1 LYS 7 2.172 -3.408 -8.064
62 HZ1 LYS 7 HZ1 LYS 7 2.360 -1.015 -7.657
63 HZ2 LYS 7 HZ2 LYS 7 1.997 -1.354 -9.272
64 HZ3 LYS 7 HZ3 LYS 7 3.568 -0.906 -8.838
65 HA PRO 8 HA PRO 8 7.413 -5.668 -1.509
66 HB2 PRO 8 HB2 PRO 8 9.746 -4.288 -2.076
67 HB3 PRO 8 HB1 PRO 8 9.366 -5.916 -2.672
68 HG2 PRO 8 HG2 PRO 8 9.102 -3.295 -4.041
69 HG3 PRO 8 HG1 PRO 8 9.652 -4.854 -4.688
70 HD2 PRO 8 HD2 PRO 8 7.177 -3.949 -5.193
71 HD3 PRO 8 HD1 PRO 8 7.486 -5.678 -4.913
72 H GLY 9 HN GLY 9 7.019 -4.763 0.363
73 HA2 GLY 9 HA2 GLY 9 7.868 -2.077 0.961
74 HA3 GLY 9 HA1 GLY 9 6.122 -2.285 0.945
75 H ASP 10 HN ASP 10 8.434 -4.702 1.908
76 HA ASP 10 HA ASP 10 7.551 -4.420 4.698
77 HB2 ASP 10 HB2 ASP 10 7.987 -7.008 3.191
78 HB3 ASP 10 HB1 ASP 10 7.603 -6.882 4.902
79 H ASN 11 HN ASN 11 9.857 -6.447 2.914
80 HA ASN 11 HA ASN 11 11.953 -5.601 4.782
81 HB2 ASN 11 HB2 ASN 11 13.208 -7.564 3.995
82 HB3 ASN 11 HB1 ASN 11 11.626 -8.018 4.610
83 HD21 ASN 11 HD21 ASN 11 13.468 -9.339 2.704
84 HD22 ASN 11 HD22 ASN 11 12.525 -9.623 1.284
85 H ALA 12 HN ALA 12 10.814 -4.315 2.235
86 HA ALA 12 HA ALA 12 12.957 -4.216 0.368
87 HB1 ALA 12 HB1 ALA 12 10.640 -2.320 0.705
88 HB2 ALA 12 HB2 ALA 12 10.619 -3.797 -0.257
89 HB3 ALA 12 HB3 ALA 12 11.679 -2.468 -0.712
90 H THR 13 HN THR 13 13.918 -2.069 -0.257
91 HA THR 13 HA THR 13 15.497 -1.082 1.852
92 HB THR 13 HB THR 13 16.236 0.617 0.166
93 HG1 THR 13 HG1 THR 13 15.349 0.602 -1.854
94 HG21 THR 13 HG21 THR 13 17.354 -1.531 0.353
95 HG22 THR 13 HG22 THR 13 17.280 -1.025 -1.335
96 HG23 THR 13 HG23 THR 13 16.172 -2.259 -0.733
97 HA PRO 14 HA PRO 14 13.225 2.158 3.757
98 HB2 PRO 14 HB2 PRO 14 15.129 4.188 3.757
99 HB3 PRO 14 HB1 PRO 14 15.044 2.881 4.952
100 HG2 PRO 14 HG2 PRO 14 16.771 3.136 2.550
101 HG3 PRO 14 HG1 PRO 14 17.153 2.498 4.170
102 HD2 PRO 14 HD2 PRO 14 16.708 0.836 2.126
103 HD3 PRO 14 HD1 PRO 14 16.134 0.450 3.758
104 H GLU 15 HN GLU 15 15.030 3.029 0.859
105 HA GLU 15 HA GLU 15 13.588 5.361 0.205
106 HB2 GLU 15 HB2 GLU 15 15.747 4.847 -0.803
107 HB3 GLU 15 HB1 GLU 15 15.077 3.405 -1.554
108 HG2 GLU 15 HG2 GLU 15 13.519 4.890 -2.831
109 HG3 GLU 15 HG1 GLU 15 14.409 6.269 -2.183
110 H LYS 16 HN LYS 16 13.136 1.961 -0.511
111 HA LYS 16 HA LYS 16 11.004 2.355 -2.367
112 HB2 LYS 16 HB2 LYS 16 12.512 0.397 -2.444
113 HB3 LYS 16 HB1 LYS 16 11.870 -0.138 -0.897
114 HG2 LYS 16 HG2 LYS 16 10.903 -1.371 -2.771
115 HG3 LYS 16 HG1 LYS 16 9.680 -0.456 -1.886
116 HD2 LYS 16 HD2 LYS 16 9.673 1.260 -3.578
117 HD3 LYS 16 HD1 LYS 16 11.013 0.484 -4.423
118 HE2 LYS 16 HE2 LYS 16 8.875 0.024 -5.509
119 HE3 LYS 16 HE1 LYS 16 9.619 -1.448 -4.892
120 HZ1 LYS 16 HZ1 LYS 16 7.436 0.065 -3.560
121 HZ2 LYS 16 HZ2 LYS 16 8.134 -1.367 -2.985
122 HZ3 LYS 16 HZ3 LYS 16 7.249 -1.372 -4.429
123 H LEU 17 HN LEU 17 11.273 1.582 1.048
124 HA LEU 17 HA LEU 17 8.597 0.975 1.556
125 HB2 LEU 17 HB2 LEU 17 10.653 2.263 3.342
126 HB3 LEU 17 HB1 LEU 17 9.107 1.657 3.898
127 HG LEU 17 HG LEU 17 11.355 0.026 2.716
128 HD11 LEU 17 HD11 LEU 17 11.496 -0.965 4.916
129 HD12 LEU 17 HD12 LEU 17 10.171 0.050 5.483
130 HD13 LEU 17 HD13 LEU 17 11.705 0.782 5.025
131 HD21 LEU 17 HD21 LEU 17 9.911 -1.909 3.316
132 HD22 LEU 17 HD22 LEU 17 9.289 -0.930 1.990
133 HD23 LEU 17 HD23 LEU 17 8.590 -0.776 3.601
134 H ALA 18 HN ALA 18 10.273 4.044 1.318
135 HA ALA 18 HA ALA 18 8.222 5.686 2.309
136 HB1 ALA 18 HB1 ALA 18 10.354 6.357 0.293
137 HB2 ALA 18 HB2 ALA 18 10.537 6.428 2.045
138 HB3 ALA 18 HB3 ALA 18 9.407 7.511 1.233
139 H LYS 19 HN LYS 19 8.999 4.604 -0.985
140 HA LYS 19 HA LYS 19 6.821 6.037 -2.156
141 HB2 LYS 19 HB2 LYS 19 8.923 5.250 -3.362
142 HB3 LYS 19 HB1 LYS 19 8.206 3.644 -3.362
143 HG2 LYS 19 HG2 LYS 19 6.296 4.488 -4.611
144 HG3 LYS 19 HG1 LYS 19 6.989 6.104 -4.592
145 HD2 LYS 19 HD2 LYS 19 7.475 5.172 -6.717
146 HD3 LYS 19 HD1 LYS 19 8.978 5.152 -5.795
147 HE2 LYS 19 HE2 LYS 19 8.735 2.810 -5.338
148 HE3 LYS 19 HE1 LYS 19 7.122 2.792 -6.047
149 HZ1 LYS 19 HZ1 LYS 19 8.796 1.901 -7.560
150 HZ2 LYS 19 HZ2 LYS 19 9.631 3.369 -7.522
151 HZ3 LYS 19 HZ3 LYS 19 8.080 3.298 -8.190
152 H TYR 20 HN TYR 20 7.300 2.846 -0.834
153 HA TYR 20 HA TYR 20 4.887 1.670 -1.664
154 HB2 TYR 20 HB2 TYR 20 6.608 0.283 -0.718
155 HB3 TYR 20 HB1 TYR 20 6.603 1.209 0.780
156 HD1 TYR 20 HD1 TYR 20 4.495 -1.057 -1.293
157 HD2 TYR 20 HD2 TYR 20 5.237 0.571 2.570
158 HE1 TYR 20 HE1 TYR 20 2.867 -2.621 -0.323
159 HE2 TYR 20 HE2 TYR 20 3.609 -0.988 3.545
160 HH TYR 20 HH TYR 20 2.370 -3.653 1.835
161 H GLN 21 HN GLN 21 5.701 3.634 1.174
162 HA GLN 21 HA GLN 21 3.227 3.388 2.469
163 HB2 GLN 21 HB2 GLN 21 5.352 5.509 2.591
164 HB3 GLN 21 HB1 GLN 21 3.892 5.588 3.568
165 HG2 GLN 21 HG2 GLN 21 5.991 3.435 3.622
166 HG3 GLN 21 HG1 GLN 21 5.665 4.637 4.871
167 HE21 GLN 21 HE21 GLN 21 5.640 1.714 5.024
168 HE22 GLN 21 HE22 GLN 21 4.059 1.279 5.575
169 H ALA 22 HN ALA 22 4.261 5.458 -0.131
170 HA ALA 22 HA ALA 22 2.129 7.299 -0.050
171 HB1 ALA 22 HB1 ALA 22 4.168 7.716 -1.323
172 HB2 ALA 22 HB2 ALA 22 2.750 7.813 -2.367
173 HB3 ALA 22 HB3 ALA 22 3.778 6.380 -2.404
174 H ASP 23 HN ASP 23 2.543 4.190 -1.650
175 HA ASP 23 HA ASP 23 -0.063 4.322 -2.905
176 HB2 ASP 23 HB2 ASP 23 1.788 3.219 -4.070
177 HB3 ASP 23 HB1 ASP 23 1.964 2.076 -2.740
178 H LEU 24 HN LEU 24 1.452 2.774 -0.164
179 HA LEU 24 HA LEU 24 -0.651 1.081 0.625
180 HB2 LEU 24 HB2 LEU 24 1.722 1.055 1.472
181 HB3 LEU 24 HB1 LEU 24 1.363 2.506 2.376
182 HG LEU 24 HG LEU 24 1.383 0.264 3.616
183 HD11 LEU 24 HD11 LEU 24 0.610 2.324 4.620
184 HD12 LEU 24 HD12 LEU 24 -0.424 0.980 5.100
185 HD13 LEU 24 HD13 LEU 24 -0.972 2.119 3.870
186 HD21 LEU 24 HD21 LEU 24 0.044 -1.013 2.062
187 HD22 LEU 24 HD22 LEU 24 -1.312 0.088 2.289
188 HD23 LEU 24 HD23 LEU 24 -0.766 -0.922 3.625
189 H ALA 25 HN ALA 25 0.002 4.493 1.167
190 HA ALA 25 HA ALA 25 -2.019 5.060 3.014
191 HB1 ALA 25 HB1 ALA 25 -1.813 7.363 2.270
192 HB2 ALA 25 HB2 ALA 25 -0.943 6.833 0.831
193 HB3 ALA 25 HB3 ALA 25 -0.223 6.617 2.425
194 H LYS 26 HN LYS 26 -2.073 4.789 -0.494
195 HA LYS 26 HA LYS 26 -4.746 5.691 -0.823
196 HB2 LYS 26 HB2 LYS 26 -3.100 5.662 -2.667
197 HB3 LYS 26 HB1 LYS 26 -3.103 3.906 -2.630
198 HG2 LYS 26 HG2 LYS 26 -5.404 3.836 -3.309
199 HG3 LYS 26 HG1 LYS 26 -5.534 5.589 -3.191
200 HD2 LYS 26 HD2 LYS 26 -3.695 4.126 -5.081
201 HD3 LYS 26 HD1 LYS 26 -5.279 4.768 -5.518
202 HE2 LYS 26 HE2 LYS 26 -2.896 6.348 -4.558
203 HE3 LYS 26 HE1 LYS 26 -3.548 6.317 -6.194
204 HZ1 LYS 26 HZ1 LYS 26 -5.610 7.277 -5.323
205 HZ2 LYS 26 HZ2 LYS 26 -4.279 8.281 -5.046
206 HZ3 LYS 26 HZ3 LYS 26 -4.921 7.365 -3.781
207 H TYR 27 HN TYR 27 -3.246 2.526 -0.387
208 HA TYR 27 HA TYR 27 -5.559 0.954 -0.604
209 HB2 TYR 27 HB2 TYR 27 -3.421 -0.145 -0.535
210 HB3 TYR 27 HB1 TYR 27 -3.039 0.577 1.020
211 HD1 TYR 27 HD1 TYR 27 -5.236 -1.886 -0.658
212 HD2 TYR 27 HD2 TYR 27 -3.684 -0.476 3.044
213 HE1 TYR 27 HE1 TYR 27 -6.135 -3.871 0.468
214 HE2 TYR 27 HE2 TYR 27 -4.585 -2.460 4.178
215 HH TYR 27 HH TYR 27 -5.824 -5.166 2.446
216 H GLN 28 HN GLN 28 -4.136 2.653 2.147
217 HA GLN 28 HA GLN 28 -5.985 1.860 4.101
218 HB2 GLN 28 HB2 GLN 28 -4.364 4.399 3.847
219 HB3 GLN 28 HB1 GLN 28 -5.305 3.982 5.270
220 HG2 GLN 28 HG2 GLN 28 -3.936 2.026 5.653
221 HG3 GLN 28 HG1 GLN 28 -3.038 2.334 4.164
222 HE21 GLN 28 HE21 GLN 28 -2.073 2.170 6.930
223 HE22 GLN 28 HE22 GLN 28 -1.290 3.678 7.244
224 H LYS 29 HN LYS 29 -6.002 4.518 1.789
225 HA LYS 29 HA LYS 29 -8.285 5.832 2.760
226 HB2 LYS 29 HB2 LYS 29 -6.635 6.797 1.158
227 HB3 LYS 29 HB1 LYS 29 -7.292 5.750 -0.093
228 HG2 LYS 29 HG2 LYS 29 -8.184 8.000 -0.281
229 HG3 LYS 29 HG1 LYS 29 -9.459 6.848 0.112
230 HD2 LYS 29 HD2 LYS 29 -9.733 8.867 1.422
231 HD3 LYS 29 HD1 LYS 29 -9.311 7.519 2.477
232 HE2 LYS 29 HE2 LYS 29 -6.956 8.286 2.440
233 HE3 LYS 29 HE1 LYS 29 -7.455 9.677 1.480
234 HZ1 LYS 29 HZ1 LYS 29 -8.935 10.310 3.325
235 HZ2 LYS 29 HZ2 LYS 29 -7.308 10.296 3.772
236 HZ3 LYS 29 HZ3 LYS 29 -8.320 9.031 4.245
237 H ASP 30 HN ASP 30 -7.932 3.449 0.125
238 HA ASP 30 HA ASP 30 -10.681 3.192 -0.435
239 HB2 ASP 30 HB2 ASP 30 -8.322 1.373 -0.858
240 HB3 ASP 30 HB1 ASP 30 -9.957 0.817 -1.210
241 H LEU 31 HN LEU 31 -8.579 1.605 1.879
242 HA LEU 31 HA LEU 31 -10.367 -0.363 2.798
243 HB2 LEU 31 HB2 LEU 31 -7.870 -0.212 3.196
244 HB3 LEU 31 HB1 LEU 31 -8.216 1.003 4.410
245 HG LEU 31 HG LEU 31 -9.528 -0.674 5.678
246 HD11 LEU 31 HD11 LEU 31 -8.527 -2.534 3.525
247 HD12 LEU 31 HD12 LEU 31 -10.206 -2.165 3.923
248 HD13 LEU 31 HD13 LEU 31 -9.206 -3.062 5.063
249 HD21 LEU 31 HD21 LEU 31 -7.200 -0.242 6.217
250 HD22 LEU 31 HD22 LEU 31 -6.684 -1.433 5.024
251 HD23 LEU 31 HD23 LEU 31 -7.580 -1.948 6.454
252 H ALA 32 HN ALA 32 -9.748 2.941 3.862
253 HA ALA 32 HA ALA 32 -11.486 2.962 6.072
254 HB1 ALA 32 HB1 ALA 32 -9.755 4.660 5.660
255 HB2 ALA 32 HB2 ALA 32 -11.344 5.373 5.943
256 HB3 ALA 32 HB3 ALA 32 -10.704 5.267 4.302
257 H ASP 33 HN ASP 33 -11.955 3.728 2.673
258 HA ASP 33 HA ASP 33 -14.633 4.642 2.942
259 HB2 ASP 33 HB2 ASP 33 -13.216 5.273 1.035
260 HB3 ASP 33 HB1 ASP 33 -13.181 3.596 0.500
261 H TYR 34 HN TYR 34 -13.161 1.533 2.408
262 HA TYR 34 HA TYR 34 -15.581 0.206 1.634
263 HB2 TYR 34 HB2 TYR 34 -13.376 -0.587 0.892
264 HB3 TYR 34 HB1 TYR 34 -12.931 -0.920 2.561
265 HD1 TYR 34 HD1 TYR 34 -15.420 -1.846 -0.042
266 HD2 TYR 34 HD2 TYR 34 -13.346 -3.017 3.474
267 HE1 TYR 34 HE1 TYR 34 -16.332 -4.108 -0.263
268 HE2 TYR 34 HE2 TYR 34 -14.257 -5.285 3.266
269 HH TYR 34 HH TYR 34 -15.727 -6.414 0.446
270 HN1 NH2 35 HN1 NH2 35 -17.104 0.471 3.193
271 HN2 NH2 35 HN2 NH2 35 -16.989 -0.181 4.786
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 -14.507 -3.664 -5.706
2 H2 ACE 0 HA2 ACE 0 -13.320 -2.958 -4.611
3 H3 ACE 0 HA3 ACE 0 -14.773 -3.692 -3.938
4 HA PRO 1 HA PRO 1 -12.960 -4.133 -1.971
5 HB2 PRO 1 HB2 PRO 1 -11.465 -6.237 -0.865
6 HB3 PRO 1 HB1 PRO 1 -13.137 -5.829 -0.449
7 HG2 PRO 1 HG2 PRO 1 -12.109 -7.926 -2.270
8 HG3 PRO 1 HG1 PRO 1 -13.526 -7.941 -1.201
9 HD2 PRO 1 HD2 PRO 1 -13.791 -7.627 -3.856
10 HD3 PRO 1 HD1 PRO 1 -14.847 -6.773 -2.709
11 HA PRO 2 HA PRO 2 -9.018 -3.014 -3.686
12 HB2 PRO 2 HB2 PRO 2 -7.992 -1.688 -1.509
13 HB3 PRO 2 HB1 PRO 2 -9.178 -0.979 -2.626
14 HG2 PRO 2 HG2 PRO 2 -9.613 -2.231 0.040
15 HG3 PRO 2 HG1 PRO 2 -10.340 -0.763 -0.651
16 HD2 PRO 2 HD2 PRO 2 -11.681 -3.094 -0.583
17 HD3 PRO 2 HD1 PRO 2 -11.853 -1.960 -1.939
18 H THR 3 HN THR 3 -7.306 -4.291 -3.916
19 HA THR 3 HA THR 3 -6.623 -6.260 -1.941
20 HB THR 3 HB THR 3 -5.204 -5.591 -4.523
21 HG1 THR 3 HG1 THR 3 -7.445 -7.254 -3.966
22 HG21 THR 3 HG21 THR 3 -3.913 -7.025 -3.032
23 HG22 THR 3 HG22 THR 3 -4.478 -7.936 -4.432
24 HG23 THR 3 HG23 THR 3 -5.287 -8.120 -2.875
25 H LYS 4 HN LYS 4 -4.802 -6.347 -0.673
26 HA LYS 4 HA LYS 4 -3.491 -3.960 0.046
27 HB2 LYS 4 HB2 LYS 4 -2.670 -6.837 0.514
28 HB3 LYS 4 HB1 LYS 4 -1.938 -5.443 1.306
29 HG2 LYS 4 HG2 LYS 4 -4.126 -4.904 2.302
30 HG3 LYS 4 HG1 LYS 4 -4.795 -6.360 1.564
31 HD2 LYS 4 HD2 LYS 4 -3.219 -7.729 2.825
32 HD3 LYS 4 HD1 LYS 4 -2.519 -6.275 3.538
33 HE2 LYS 4 HE2 LYS 4 -5.360 -7.230 3.876
34 HE3 LYS 4 HE1 LYS 4 -4.078 -7.355 5.077
35 HZ1 LYS 4 HZ1 LYS 4 -5.317 -4.867 4.033
36 HZ2 LYS 4 HZ2 LYS 4 -3.945 -4.890 5.025
37 HZ3 LYS 4 HZ3 LYS 4 -5.417 -5.482 5.608
38 HA PRO 5 HA PRO 5 -0.553 -3.276 -3.075
39 HB2 PRO 5 HB2 PRO 5 1.567 -2.972 -1.019
40 HB3 PRO 5 HB1 PRO 5 1.012 -1.821 -2.253
41 HG2 PRO 5 HG2 PRO 5 0.397 -1.472 0.298
42 HG3 PRO 5 HG1 PRO 5 -0.771 -1.106 -0.996
43 HD2 PRO 5 HD2 PRO 5 -0.672 -3.461 0.847
44 HD3 PRO 5 HD1 PRO 5 -2.079 -2.559 0.236
45 H THR 6 HN THR 6 0.484 -4.570 -4.386
46 HA THR 6 HA THR 6 1.588 -7.077 -3.503
47 HB THR 6 HB THR 6 1.756 -5.868 -6.263
48 HG1 THR 6 HG1 THR 6 -0.452 -6.347 -4.957
49 HG21 THR 6 HG21 THR 6 1.728 -8.721 -5.280
50 HG22 THR 6 HG22 THR 6 3.118 -7.854 -5.934
51 HG23 THR 6 HG23 THR 6 1.744 -8.230 -6.974
52 H LYS 7 HN LYS 7 2.677 -3.924 -3.912
53 HA LYS 7 HA LYS 7 5.320 -4.234 -4.752
54 HB2 LYS 7 HB2 LYS 7 4.130 -2.168 -2.896
55 HB3 LYS 7 HB1 LYS 7 5.688 -2.030 -3.695
56 HG2 LYS 7 HG2 LYS 7 4.614 -1.991 -5.863
57 HG3 LYS 7 HG1 LYS 7 3.035 -2.240 -5.108
58 HD2 LYS 7 HD2 LYS 7 3.302 -0.107 -3.900
59 HD3 LYS 7 HD1 LYS 7 4.846 0.146 -4.713
60 HE2 LYS 7 HE2 LYS 7 3.087 1.409 -5.813
61 HE3 LYS 7 HE1 LYS 7 3.695 0.144 -6.880
62 HZ1 LYS 7 HZ1 LYS 7 1.785 -1.204 -6.349
63 HZ2 LYS 7 HZ2 LYS 7 1.268 0.309 -6.900
64 HZ3 LYS 7 HZ3 LYS 7 1.220 -0.048 -5.244
65 HA PRO 8 HA PRO 8 7.372 -6.049 -1.299
66 HB2 PRO 8 HB2 PRO 8 9.840 -4.913 -1.522
67 HB3 PRO 8 HB1 PRO 8 9.260 -6.189 -2.608
68 HG2 PRO 8 HG2 PRO 8 9.378 -3.253 -3.048
69 HG3 PRO 8 HG1 PRO 8 9.753 -4.578 -4.167
70 HD2 PRO 8 HD2 PRO 8 7.403 -3.218 -4.252
71 HD3 PRO 8 HD1 PRO 8 7.541 -4.932 -4.706
72 H GLY 9 HN GLY 9 7.262 -5.617 0.779
73 HA2 GLY 9 HA2 GLY 9 7.982 -2.928 1.725
74 HA3 GLY 9 HA1 GLY 9 6.453 -3.644 2.214
75 H ASP 10 HN ASP 10 8.739 -6.024 1.849
76 HA ASP 10 HA ASP 10 9.317 -5.991 4.733
77 HB2 ASP 10 HB2 ASP 10 8.746 -8.339 2.927
78 HB3 ASP 10 HB1 ASP 10 9.402 -8.506 4.553
79 H ASN 11 HN ASN 11 10.563 -6.763 1.536
80 HA ASN 11 HA ASN 11 13.265 -6.747 2.712
81 HB2 ASN 11 HB2 ASN 11 14.000 -8.138 0.795
82 HB3 ASN 11 HB1 ASN 11 12.803 -8.944 1.793
83 HD21 ASN 11 HD21 ASN 11 10.865 -9.510 0.925
84 HD22 ASN 11 HD22 ASN 11 10.469 -9.308 -0.748
85 H ALA 12 HN ALA 12 11.745 -4.462 1.894
86 HA ALA 12 HA ALA 12 12.949 -3.678 -0.655
87 HB1 ALA 12 HB1 ALA 12 10.789 -2.254 0.875
88 HB2 ALA 12 HB2 ALA 12 10.483 -3.501 -0.332
89 HB3 ALA 12 HB3 ALA 12 11.273 -1.998 -0.801
90 H THR 13 HN THR 13 13.938 -1.667 -0.914
91 HA THR 13 HA THR 13 15.638 -0.795 1.178
92 HB THR 13 HB THR 13 16.153 1.087 -0.414
93 HG1 THR 13 HG1 THR 13 14.838 -0.154 -2.494
94 HG21 THR 13 HG21 THR 13 17.438 -0.971 -0.453
95 HG22 THR 13 HG22 THR 13 17.213 -0.364 -2.093
96 HG23 THR 13 HG23 THR 13 16.243 -1.718 -1.511
97 HA PRO 14 HA PRO 14 13.270 2.257 3.323
98 HB2 PRO 14 HB2 PRO 14 15.055 4.386 3.338
99 HB3 PRO 14 HB1 PRO 14 15.081 3.039 4.488
100 HG2 PRO 14 HG2 PRO 14 16.721 3.482 2.060
101 HG3 PRO 14 HG1 PRO 14 17.178 2.792 3.640
102 HD2 PRO 14 HD2 PRO 14 16.756 1.213 1.511
103 HD3 PRO 14 HD1 PRO 14 16.286 0.708 3.144
104 H GLU 15 HN GLU 15 14.873 3.231 0.337
105 HA GLU 15 HA GLU 15 13.269 5.490 -0.204
106 HB2 GLU 15 HB2 GLU 15 15.383 5.094 -1.368
107 HB3 GLU 15 HB1 GLU 15 14.718 3.646 -2.112
108 HG2 GLU 15 HG2 GLU 15 13.003 5.077 -3.221
109 HG3 GLU 15 HG1 GLU 15 13.842 6.486 -2.576
110 H LYS 16 HN LYS 16 13.056 2.105 -1.221
111 HA LYS 16 HA LYS 16 10.696 2.422 -2.750
112 HB2 LYS 16 HB2 LYS 16 12.222 0.559 -3.138
113 HB3 LYS 16 HB1 LYS 16 11.937 -0.041 -1.512
114 HG2 LYS 16 HG2 LYS 16 10.723 -1.359 -3.143
115 HG3 LYS 16 HG1 LYS 16 9.605 -0.502 -2.082
116 HD2 LYS 16 HD2 LYS 16 8.806 -0.373 -4.355
117 HD3 LYS 16 HD1 LYS 16 9.330 1.228 -3.834
118 HE2 LYS 16 HE2 LYS 16 10.090 0.820 -6.086
119 HE3 LYS 16 HE1 LYS 16 11.475 0.872 -5.000
120 HZ1 LYS 16 HZ1 LYS 16 10.187 -1.588 -6.052
121 HZ2 LYS 16 HZ2 LYS 16 11.511 -1.549 -5.002
122 HZ3 LYS 16 HZ3 LYS 16 11.658 -0.940 -6.571
123 H LEU 17 HN LEU 17 11.334 1.543 0.600
124 HA LEU 17 HA LEU 17 8.736 0.812 1.317
125 HB2 LEU 17 HB2 LEU 17 10.963 2.026 2.922
126 HB3 LEU 17 HB1 LEU 17 9.447 1.525 3.639
127 HG LEU 17 HG LEU 17 11.430 -0.261 2.230
128 HD11 LEU 17 HD11 LEU 17 10.619 -0.120 5.130
129 HD12 LEU 17 HD12 LEU 17 12.121 0.512 4.461
130 HD13 LEU 17 HD13 LEU 17 11.801 -1.219 4.418
131 HD21 LEU 17 HD21 LEU 17 8.780 -0.880 3.523
132 HD22 LEU 17 HD22 LEU 17 9.961 -2.088 3.023
133 HD23 LEU 17 HD23 LEU 17 9.195 -1.055 1.818
134 H ALA 18 HN ALA 18 10.252 3.972 1.051
135 HA ALA 18 HA ALA 18 8.189 5.468 2.241
136 HB1 ALA 18 HB1 ALA 18 10.408 6.388 1.827
137 HB2 ALA 18 HB2 ALA 18 9.161 7.383 1.075
138 HB3 ALA 18 HB3 ALA 18 10.129 6.286 0.089
139 H LYS 19 HN LYS 19 8.801 4.497 -1.095
140 HA LYS 19 HA LYS 19 6.518 5.730 -2.229
141 HB2 LYS 19 HB2 LYS 19 8.572 4.854 -3.438
142 HB3 LYS 19 HB1 LYS 19 7.921 3.239 -3.212
143 HG2 LYS 19 HG2 LYS 19 7.381 3.928 -5.413
144 HG3 LYS 19 HG1 LYS 19 5.889 3.971 -4.471
145 HD2 LYS 19 HD2 LYS 19 5.995 6.346 -4.274
146 HD3 LYS 19 HD1 LYS 19 7.625 6.387 -4.948
147 HE2 LYS 19 HE2 LYS 19 6.046 7.088 -6.630
148 HE3 LYS 19 HE1 LYS 19 6.728 5.529 -7.081
149 HZ1 LYS 19 HZ1 LYS 19 4.350 5.588 -7.448
150 HZ2 LYS 19 HZ2 LYS 19 4.076 5.958 -5.825
151 HZ3 LYS 19 HZ3 LYS 19 4.728 4.458 -6.249
152 H TYR 20 HN TYR 20 7.173 2.596 -0.829
153 HA TYR 20 HA TYR 20 4.729 1.326 -1.369
154 HB2 TYR 20 HB2 TYR 20 6.729 0.128 -0.628
155 HB3 TYR 20 HB1 TYR 20 6.667 0.956 0.923
156 HD1 TYR 20 HD1 TYR 20 4.836 -1.450 -1.226
157 HD2 TYR 20 HD2 TYR 20 5.414 0.071 2.707
158 HE1 TYR 20 HE1 TYR 20 3.472 -3.281 -0.321
159 HE2 TYR 20 HE2 TYR 20 4.045 -1.758 3.621
160 HH TYR 20 HH TYR 20 2.375 -3.332 2.940
161 H GLN 21 HN GLN 21 5.802 3.302 1.380
162 HA GLN 21 HA GLN 21 3.487 2.990 2.939
163 HB2 GLN 21 HB2 GLN 21 5.503 5.230 2.847
164 HB3 GLN 21 HB1 GLN 21 4.219 5.127 4.041
165 HG2 GLN 21 HG2 GLN 21 6.455 3.153 3.640
166 HG3 GLN 21 HG1 GLN 21 6.290 4.305 4.965
167 HE21 GLN 21 HE21 GLN 21 6.512 1.402 5.058
168 HE22 GLN 21 HE22 GLN 21 5.092 0.834 5.866
169 H ALA 22 HN ALA 22 4.284 5.253 0.372
170 HA ALA 22 HA ALA 22 2.012 6.912 0.691
171 HB1 ALA 22 HB1 ALA 22 2.533 7.641 -1.635
172 HB2 ALA 22 HB2 ALA 22 3.783 6.396 -1.692
173 HB3 ALA 22 HB3 ALA 22 3.906 7.719 -0.534
174 H ASP 23 HN ASP 23 2.659 3.999 -1.160
175 HA ASP 23 HA ASP 23 0.150 4.064 -2.559
176 HB2 ASP 23 HB2 ASP 23 2.274 2.970 -3.408
177 HB3 ASP 23 HB1 ASP 23 2.007 1.697 -2.216
178 H LEU 24 HN LEU 24 1.455 2.487 0.280
179 HA LEU 24 HA LEU 24 -0.799 0.918 0.934
180 HB2 LEU 24 HB2 LEU 24 1.378 0.563 1.984
181 HB3 LEU 24 HB1 LEU 24 1.312 2.161 2.702
182 HG LEU 24 HG LEU 24 -0.677 1.427 4.018
183 HD11 LEU 24 HD11 LEU 24 -1.205 -0.906 4.187
184 HD12 LEU 24 HD12 LEU 24 0.071 -1.319 3.044
185 HD13 LEU 24 HD13 LEU 24 -1.336 -0.408 2.500
186 HD21 LEU 24 HD21 LEU 24 1.827 -0.204 4.410
187 HD22 LEU 24 HD22 LEU 24 0.606 0.144 5.633
188 HD23 LEU 24 HD23 LEU 24 1.583 1.452 4.964
189 H ALA 25 HN ALA 25 0.090 4.260 1.585
190 HA ALA 25 HA ALA 25 -1.952 4.912 3.378
191 HB1 ALA 25 HB1 ALA 25 -1.522 7.216 2.785
192 HB2 ALA 25 HB2 ALA 25 -0.675 6.706 1.324
193 HB3 ALA 25 HB3 ALA 25 0.000 6.334 2.909
194 H LYS 26 HN LYS 26 -1.865 5.032 -0.171
195 HA LYS 26 HA LYS 26 -4.476 5.993 -0.542
196 HB2 LYS 26 HB2 LYS 26 -2.796 5.848 -2.367
197 HB3 LYS 26 HB1 LYS 26 -2.958 4.098 -2.348
198 HG2 LYS 26 HG2 LYS 26 -5.321 4.307 -2.949
199 HG3 LYS 26 HG1 LYS 26 -5.154 6.062 -2.978
200 HD2 LYS 26 HD2 LYS 26 -3.517 5.874 -4.784
201 HD3 LYS 26 HD1 LYS 26 -3.681 4.118 -4.751
202 HE2 LYS 26 HE2 LYS 26 -5.926 6.049 -5.326
203 HE3 LYS 26 HE1 LYS 26 -4.998 5.191 -6.554
204 HZ1 LYS 26 HZ1 LYS 26 -7.122 4.112 -6.030
205 HZ2 LYS 26 HZ2 LYS 26 -6.618 3.871 -4.430
206 HZ3 LYS 26 HZ3 LYS 26 -5.803 3.107 -5.709
207 H TYR 27 HN TYR 27 -3.202 2.720 -0.186
208 HA TYR 27 HA TYR 27 -5.610 1.337 -0.603
209 HB2 TYR 27 HB2 TYR 27 -3.587 0.074 -0.620
210 HB3 TYR 27 HB1 TYR 27 -3.142 0.644 0.982
211 HD1 TYR 27 HD1 TYR 27 -5.637 -1.449 -0.816
212 HD2 TYR 27 HD2 TYR 27 -3.752 -0.573 2.897
213 HE1 TYR 27 HE1 TYR 27 -6.704 -3.418 0.189
214 HE2 TYR 27 HE2 TYR 27 -4.819 -2.540 3.909
215 HH TYR 27 HH TYR 27 -6.539 -4.882 1.996
216 H GLN 28 HN GLN 28 -4.183 2.725 2.315
217 HA GLN 28 HA GLN 28 -6.088 1.784 4.152
218 HB2 GLN 28 HB2 GLN 28 -4.506 4.367 4.194
219 HB3 GLN 28 HB1 GLN 28 -5.389 3.707 5.561
220 HG2 GLN 28 HG2 GLN 28 -3.927 1.737 5.552
221 HG3 GLN 28 HG1 GLN 28 -3.036 2.416 4.188
222 HE21 GLN 28 HE21 GLN 28 -1.110 2.506 5.324
223 HE22 GLN 28 HE22 GLN 28 -0.823 3.650 6.583
224 H LYS 29 HN LYS 29 -5.964 4.694 2.168
225 HA LYS 29 HA LYS 29 -8.368 5.843 3.074
226 HB2 LYS 29 HB2 LYS 29 -6.682 7.103 1.812
227 HB3 LYS 29 HB1 LYS 29 -6.999 6.118 0.389
228 HG2 LYS 29 HG2 LYS 29 -9.273 6.979 0.284
229 HG3 LYS 29 HG1 LYS 29 -8.980 7.949 1.729
230 HD2 LYS 29 HD2 LYS 29 -7.286 9.227 0.575
231 HD3 LYS 29 HD1 LYS 29 -7.439 8.198 -0.851
232 HE2 LYS 29 HE2 LYS 29 -9.599 9.964 0.294
233 HE3 LYS 29 HE1 LYS 29 -8.626 10.323 -1.131
234 HZ1 LYS 29 HZ1 LYS 29 -10.736 9.437 -1.795
235 HZ2 LYS 29 HZ2 LYS 29 -10.532 8.070 -0.825
236 HZ3 LYS 29 HZ3 LYS 29 -9.534 8.310 -2.167
237 H ASP 30 HN ASP 30 -7.651 3.783 0.266
238 HA ASP 30 HA ASP 30 -10.286 3.628 -0.702
239 HB2 ASP 30 HB2 ASP 30 -7.868 1.880 -1.073
240 HB3 ASP 30 HB1 ASP 30 -9.426 1.436 -1.770
241 H LEU 31 HN LEU 31 -8.554 1.699 1.658
242 HA LEU 31 HA LEU 31 -10.448 -0.355 1.972
243 HB2 LEU 31 HB2 LEU 31 -8.109 -0.366 2.855
244 HB3 LEU 31 HB1 LEU 31 -8.598 0.803 4.065
245 HG LEU 31 HG LEU 31 -10.131 -0.842 5.048
246 HD11 LEU 31 HD11 LEU 31 -9.965 -3.203 4.324
247 HD12 LEU 31 HD12 LEU 31 -9.032 -2.677 2.923
248 HD13 LEU 31 HD13 LEU 31 -10.707 -2.156 3.118
249 HD21 LEU 31 HD21 LEU 31 -7.300 -1.814 4.679
250 HD22 LEU 31 HD22 LEU 31 -8.409 -2.342 5.948
251 HD23 LEU 31 HD23 LEU 31 -7.865 -0.665 5.894
252 H ALA 32 HN ALA 32 -9.999 2.667 3.775
253 HA ALA 32 HA ALA 32 -12.297 2.429 5.389
254 HB1 ALA 32 HB1 ALA 32 -10.860 4.907 4.468
255 HB2 ALA 32 HB2 ALA 32 -10.457 3.952 5.895
256 HB3 ALA 32 HB3 ALA 32 -11.997 4.809 5.813
257 H ASP 33 HN ASP 33 -11.704 3.753 2.224
258 HA ASP 33 HA ASP 33 -14.180 5.019 1.805
259 HB2 ASP 33 HB2 ASP 33 -12.283 5.545 0.414
260 HB3 ASP 33 HB1 ASP 33 -12.152 3.876 -0.123
261 H TYR 34 HN TYR 34 -13.051 1.743 1.159
262 HA TYR 34 HA TYR 34 -15.460 0.910 -0.134
263 HB2 TYR 34 HB2 TYR 34 -13.231 -0.146 -0.515
264 HB3 TYR 34 HB1 TYR 34 -13.302 -0.795 1.119
265 HD1 TYR 34 HD1 TYR 34 -15.254 -0.745 -2.050
266 HD2 TYR 34 HD2 TYR 34 -14.181 -2.921 1.441
267 HE1 TYR 34 HE1 TYR 34 -16.470 -2.693 -2.900
268 HE2 TYR 34 HE2 TYR 34 -15.397 -4.881 0.598
269 HH TYR 34 HH TYR 34 -17.254 -5.358 -0.994
270 HN1 NH2 35 HN1 NH2 35 -14.126 0.574 3.103
271 HN2 NH2 35 HN2 NH2 35 -15.584 0.025 3.853
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 -13.470 -1.058 -2.863
2 H2 ACE 0 HA2 ACE 0 -14.994 -1.880 -3.192
3 H3 ACE 0 HA3 ACE 0 -14.433 -0.641 -4.312
4 HA PRO 1 HA PRO 1 -12.680 -3.317 -1.830
5 HB2 PRO 1 HB2 PRO 1 -11.417 -5.760 -2.205
6 HB3 PRO 1 HB1 PRO 1 -13.071 -5.566 -1.596
7 HG2 PRO 1 HG2 PRO 1 -12.136 -6.203 -4.343
8 HG3 PRO 1 HG1 PRO 1 -13.518 -6.856 -3.438
9 HD2 PRO 1 HD2 PRO 1 -13.872 -5.001 -5.340
10 HD3 PRO 1 HD1 PRO 1 -14.843 -4.991 -3.854
11 HA PRO 2 HA PRO 2 -8.786 -1.651 -3.221
12 HB2 PRO 2 HB2 PRO 2 -7.620 -1.425 -0.746
13 HB3 PRO 2 HB1 PRO 2 -8.798 -0.262 -1.389
14 HG2 PRO 2 HG2 PRO 2 -9.213 -2.507 0.519
15 HG3 PRO 2 HG1 PRO 2 -9.879 -0.860 0.547
16 HD2 PRO 2 HD2 PRO 2 -11.339 -2.960 -0.301
17 HD3 PRO 2 HD1 PRO 2 -11.511 -1.346 -1.020
18 H THR 3 HN THR 3 -6.958 -2.611 -3.877
19 HA THR 3 HA THR 3 -6.384 -5.295 -2.914
20 HB THR 3 HB THR 3 -5.054 -3.788 -5.165
21 HG1 THR 3 HG1 THR 3 -7.090 -3.957 -5.895
22 HG21 THR 3 HG21 THR 3 -3.818 -5.735 -4.340
23 HG22 THR 3 HG22 THR 3 -4.452 -6.024 -5.960
24 HG23 THR 3 HG23 THR 3 -5.250 -6.738 -4.560
25 H LYS 4 HN LYS 4 -4.695 -5.778 -1.648
26 HA LYS 4 HA LYS 4 -3.199 -3.759 -0.373
27 HB2 LYS 4 HB2 LYS 4 -2.855 -6.752 -0.508
28 HB3 LYS 4 HB1 LYS 4 -1.794 -5.716 0.449
29 HG2 LYS 4 HG2 LYS 4 -3.680 -4.961 1.765
30 HG3 LYS 4 HG1 LYS 4 -4.780 -5.922 0.776
31 HD2 LYS 4 HD2 LYS 4 -3.692 -7.963 1.515
32 HD3 LYS 4 HD1 LYS 4 -2.520 -7.022 2.440
33 HE2 LYS 4 HE2 LYS 4 -4.294 -7.938 3.868
34 HE3 LYS 4 HE1 LYS 4 -4.287 -6.177 3.872
35 HZ1 LYS 4 HZ1 LYS 4 -6.139 -6.160 2.368
36 HZ2 LYS 4 HZ2 LYS 4 -6.527 -7.142 3.690
37 HZ3 LYS 4 HZ3 LYS 4 -6.097 -7.845 2.216
38 HA PRO 5 HA PRO 5 -0.006 -2.804 -3.198
39 HB2 PRO 5 HB2 PRO 5 1.938 -2.957 -0.968
40 HB3 PRO 5 HB1 PRO 5 1.541 -1.591 -2.032
41 HG2 PRO 5 HG2 PRO 5 0.756 -1.626 0.502
42 HG3 PRO 5 HG1 PRO 5 -0.271 -0.955 -0.789
43 HD2 PRO 5 HD2 PRO 5 -0.494 -3.582 0.625
44 HD3 PRO 5 HD1 PRO 5 -1.777 -2.479 0.072
45 H THR 6 HN THR 6 0.981 -4.063 -4.601
46 HA THR 6 HA THR 6 1.765 -6.741 -3.905
47 HB THR 6 HB THR 6 2.327 -5.411 -6.536
48 HG1 THR 6 HG1 THR 6 -0.175 -6.383 -5.556
49 HG21 THR 6 HG21 THR 6 1.895 -7.648 -7.415
50 HG22 THR 6 HG22 THR 6 1.513 -8.219 -5.791
51 HG23 THR 6 HG23 THR 6 3.150 -7.693 -6.177
52 H LYS 7 HN LYS 7 3.217 -3.692 -4.032
53 HA LYS 7 HA LYS 7 5.891 -4.428 -4.663
54 HB2 LYS 7 HB2 LYS 7 4.978 -2.016 -3.081
55 HB3 LYS 7 HB1 LYS 7 6.456 -2.180 -4.016
56 HG2 LYS 7 HG2 LYS 7 5.211 -2.208 -6.079
57 HG3 LYS 7 HG1 LYS 7 3.683 -2.199 -5.193
58 HD2 LYS 7 HD2 LYS 7 4.361 0.010 -4.220
59 HD3 LYS 7 HD1 LYS 7 5.750 0.000 -5.308
60 HE2 LYS 7 HE2 LYS 7 2.837 -0.028 -6.099
61 HE3 LYS 7 HE1 LYS 7 3.958 1.322 -6.263
62 HZ1 LYS 7 HZ1 LYS 7 4.216 -1.286 -7.662
63 HZ2 LYS 7 HZ2 LYS 7 5.227 0.058 -7.859
64 HZ3 LYS 7 HZ3 LYS 7 3.612 0.134 -8.353
65 HA PRO 8 HA PRO 8 7.131 -6.307 -0.842
66 HB2 PRO 8 HB2 PRO 8 9.764 -5.416 -0.851
67 HB3 PRO 8 HB1 PRO 8 9.174 -6.862 -1.696
68 HG2 PRO 8 HG2 PRO 8 9.683 -4.129 -2.755
69 HG3 PRO 8 HG1 PRO 8 10.003 -5.706 -3.506
70 HD2 PRO 8 HD2 PRO 8 7.897 -4.235 -4.252
71 HD3 PRO 8 HD1 PRO 8 7.778 -6.006 -4.134
72 H GLY 9 HN GLY 9 7.050 -5.701 1.223
73 HA2 GLY 9 HA2 GLY 9 7.691 -2.898 1.874
74 HA3 GLY 9 HA1 GLY 9 6.233 -3.669 2.478
75 H ASP 10 HN ASP 10 8.840 -5.788 2.268
76 HA ASP 10 HA ASP 10 9.441 -5.406 5.124
77 HB2 ASP 10 HB2 ASP 10 9.347 -8.027 3.618
78 HB3 ASP 10 HB1 ASP 10 9.779 -7.835 5.312
79 H ASN 11 HN ASN 11 10.756 -6.968 2.199
80 HA ASN 11 HA ASN 11 13.454 -6.631 3.240
81 HB2 ASN 11 HB2 ASN 11 14.197 -8.048 1.480
82 HB3 ASN 11 HB1 ASN 11 12.689 -8.746 2.055
83 HD21 ASN 11 HD21 ASN 11 10.898 -8.747 0.704
84 HD22 ASN 11 HD22 ASN 11 10.996 -8.353 -0.976
85 H ALA 12 HN ALA 12 11.451 -4.597 1.812
86 HA ALA 12 HA ALA 12 12.945 -3.727 -0.458
87 HB1 ALA 12 HB1 ALA 12 10.494 -3.546 -0.312
88 HB2 ALA 12 HB2 ALA 12 11.277 -2.009 -0.673
89 HB3 ALA 12 HB3 ALA 12 10.684 -2.333 0.956
90 H THR 13 HN THR 13 13.913 -1.679 -0.742
91 HA THR 13 HA THR 13 15.557 -0.845 1.435
92 HB THR 13 HB THR 13 16.381 0.860 -0.156
93 HG1 THR 13 HG1 THR 13 15.495 0.704 -2.341
94 HG21 THR 13 HG21 THR 13 17.350 -1.365 -0.198
95 HG22 THR 13 HG22 THR 13 17.272 -0.704 -1.833
96 HG23 THR 13 HG23 THR 13 16.094 -1.909 -1.309
97 HA PRO 14 HA PRO 14 13.233 2.417 3.317
98 HB2 PRO 14 HB2 PRO 14 15.119 4.473 3.243
99 HB3 PRO 14 HB1 PRO 14 15.014 3.232 4.503
100 HG2 PRO 14 HG2 PRO 14 16.800 3.383 2.145
101 HG3 PRO 14 HG1 PRO 14 17.131 2.799 3.796
102 HD2 PRO 14 HD2 PRO 14 16.744 1.074 1.786
103 HD3 PRO 14 HD1 PRO 14 16.132 0.734 3.415
104 H GLU 15 HN GLU 15 14.975 3.082 0.354
105 HA GLU 15 HA GLU 15 13.598 5.412 -0.426
106 HB2 GLU 15 HB2 GLU 15 15.748 4.666 -1.387
107 HB3 GLU 15 HB1 GLU 15 14.929 3.308 -2.142
108 HG2 GLU 15 HG2 GLU 15 13.621 4.836 -3.513
109 HG3 GLU 15 HG1 GLU 15 14.380 6.212 -2.717
110 H LYS 16 HN LYS 16 13.108 1.981 -1.183
111 HA LYS 16 HA LYS 16 10.841 2.512 -2.856
112 HB2 LYS 16 HB2 LYS 16 12.409 0.583 -3.178
113 HB3 LYS 16 HB1 LYS 16 11.763 -0.122 -1.703
114 HG2 LYS 16 HG2 LYS 16 9.540 -0.216 -2.730
115 HG3 LYS 16 HG1 LYS 16 10.210 0.461 -4.215
116 HD2 LYS 16 HD2 LYS 16 11.740 -1.482 -4.352
117 HD3 LYS 16 HD1 LYS 16 10.946 -2.169 -2.934
118 HE2 LYS 16 HE2 LYS 16 9.992 -3.190 -4.863
119 HE3 LYS 16 HE1 LYS 16 8.795 -2.083 -4.193
120 HZ1 LYS 16 HZ1 LYS 16 10.546 -1.561 -6.533
121 HZ2 LYS 16 HZ2 LYS 16 9.452 -0.453 -5.876
122 HZ3 LYS 16 HZ3 LYS 16 8.887 -1.882 -6.578
123 H LEU 17 HN LEU 17 11.388 1.543 0.471
124 HA LEU 17 HA LEU 17 8.776 0.816 1.143
125 HB2 LEU 17 HB2 LEU 17 11.016 1.978 2.765
126 HB3 LEU 17 HB1 LEU 17 9.477 1.563 3.484
127 HG LEU 17 HG LEU 17 11.326 -0.364 2.077
128 HD11 LEU 17 HD11 LEU 17 11.672 -1.283 4.333
129 HD12 LEU 17 HD12 LEU 17 10.735 0.054 5.001
130 HD13 LEU 17 HD13 LEU 17 12.261 0.371 4.177
131 HD21 LEU 17 HD21 LEU 17 9.812 -2.074 3.041
132 HD22 LEU 17 HD22 LEU 17 9.039 -1.057 1.827
133 HD23 LEU 17 HD23 LEU 17 8.723 -0.777 3.539
134 H ALA 18 HN ALA 18 10.282 3.960 0.826
135 HA ALA 18 HA ALA 18 8.287 5.513 2.031
136 HB1 ALA 18 HB1 ALA 18 10.044 6.234 -0.308
137 HB2 ALA 18 HB2 ALA 18 10.490 6.381 1.392
138 HB3 ALA 18 HB3 ALA 18 9.181 7.364 0.736
139 H LYS 19 HN LYS 19 8.624 4.215 -1.216
140 HA LYS 19 HA LYS 19 6.263 5.432 -2.252
141 HB2 LYS 19 HB2 LYS 19 8.146 4.637 -3.656
142 HB3 LYS 19 HB1 LYS 19 7.750 2.982 -3.219
143 HG2 LYS 19 HG2 LYS 19 5.556 3.238 -4.288
144 HG3 LYS 19 HG1 LYS 19 5.989 4.883 -4.754
145 HD2 LYS 19 HD2 LYS 19 7.449 2.380 -5.597
146 HD3 LYS 19 HD1 LYS 19 6.309 3.285 -6.593
147 HE2 LYS 19 HE2 LYS 19 8.906 4.354 -5.486
148 HE3 LYS 19 HE1 LYS 19 8.648 3.815 -7.141
149 HZ1 LYS 19 HZ1 LYS 19 8.486 6.198 -7.004
150 HZ2 LYS 19 HZ2 LYS 19 7.288 6.098 -5.816
151 HZ3 LYS 19 HZ3 LYS 19 6.969 5.558 -7.385
152 H TYR 20 HN TYR 20 7.044 2.360 -0.743
153 HA TYR 20 HA TYR 20 4.580 1.062 -1.092
154 HB2 TYR 20 HB2 TYR 20 6.571 -0.124 -0.331
155 HB3 TYR 20 HB1 TYR 20 6.601 0.828 1.150
156 HD1 TYR 20 HD1 TYR 20 4.754 -1.795 -0.683
157 HD2 TYR 20 HD2 TYR 20 5.260 0.228 3.025
158 HE1 TYR 20 HE1 TYR 20 3.372 -3.498 0.432
159 HE2 TYR 20 HE2 TYR 20 3.877 -1.466 4.147
160 HH TYR 20 HH TYR 20 2.134 -3.107 3.569
161 H GLN 21 HN GLN 21 5.761 3.225 1.445
162 HA GLN 21 HA GLN 21 3.503 3.105 3.118
163 HB2 GLN 21 HB2 GLN 21 5.533 5.306 2.702
164 HB3 GLN 21 HB1 GLN 21 4.329 5.313 3.981
165 HG2 GLN 21 HG2 GLN 21 5.286 3.319 4.949
166 HG3 GLN 21 HG1 GLN 21 6.438 3.197 3.619
167 HE21 GLN 21 HE21 GLN 21 8.196 3.299 5.016
168 HE22 GLN 21 HE22 GLN 21 8.671 4.770 5.790
169 H ALA 22 HN ALA 22 4.208 4.989 0.260
170 HA ALA 22 HA ALA 22 2.001 6.766 0.530
171 HB1 ALA 22 HB1 ALA 22 3.964 7.354 -0.788
172 HB2 ALA 22 HB2 ALA 22 2.503 7.402 -1.776
173 HB3 ALA 22 HB3 ALA 22 3.614 6.039 -1.909
174 H ASP 23 HN ASP 23 2.565 3.771 -1.275
175 HA ASP 23 HA ASP 23 -0.008 3.766 -2.514
176 HB2 ASP 23 HB2 ASP 23 1.974 2.526 -3.415
177 HB3 ASP 23 HB1 ASP 23 1.834 1.402 -2.060
178 H LEU 24 HN LEU 24 1.352 2.328 0.389
179 HA LEU 24 HA LEU 24 -0.909 0.834 1.182
180 HB2 LEU 24 HB2 LEU 24 1.403 0.602 2.117
181 HB3 LEU 24 HB1 LEU 24 1.194 2.140 2.923
182 HG LEU 24 HG LEU 24 0.916 -0.007 4.297
183 HD11 LEU 24 HD11 LEU 24 -0.883 0.996 5.647
184 HD12 LEU 24 HD12 LEU 24 -1.192 2.139 4.339
185 HD13 LEU 24 HD13 LEU 24 0.358 2.158 5.179
186 HD21 LEU 24 HD21 LEU 24 -1.772 0.041 2.936
187 HD22 LEU 24 HD22 LEU 24 -1.311 -0.990 4.288
188 HD23 LEU 24 HD23 LEU 24 -0.530 -1.190 2.720
189 H ALA 25 HN ALA 25 0.050 4.191 1.688
190 HA ALA 25 HA ALA 25 -2.021 4.968 3.405
191 HB1 ALA 25 HB1 ALA 25 -0.665 6.629 1.290
192 HB2 ALA 25 HB2 ALA 25 -0.033 6.328 2.908
193 HB3 ALA 25 HB3 ALA 25 -1.535 7.229 2.704
194 H LYS 26 HN LYS 26 -1.824 4.904 -0.123
195 HA LYS 26 HA LYS 26 -4.380 5.964 -0.652
196 HB2 LYS 26 HB2 LYS 26 -2.565 5.734 -2.340
197 HB3 LYS 26 HB1 LYS 26 -2.791 3.995 -2.312
198 HG2 LYS 26 HG2 LYS 26 -3.906 4.847 -4.231
199 HG3 LYS 26 HG1 LYS 26 -5.135 4.345 -3.072
200 HD2 LYS 26 HD2 LYS 26 -5.808 6.440 -4.007
201 HD3 LYS 26 HD1 LYS 26 -5.310 6.728 -2.341
202 HE2 LYS 26 HE2 LYS 26 -4.458 8.465 -3.827
203 HE3 LYS 26 HE1 LYS 26 -3.141 7.532 -3.121
204 HZ1 LYS 26 HZ1 LYS 26 -2.827 7.961 -5.494
205 HZ2 LYS 26 HZ2 LYS 26 -4.248 7.113 -5.845
206 HZ3 LYS 26 HZ3 LYS 26 -2.925 6.305 -5.167
207 H TYR 27 HN TYR 27 -3.214 2.704 -0.085
208 HA TYR 27 HA TYR 27 -5.593 1.296 -0.574
209 HB2 TYR 27 HB2 TYR 27 -3.514 0.099 -0.378
210 HB3 TYR 27 HB1 TYR 27 -3.249 0.718 1.243
211 HD1 TYR 27 HD1 TYR 27 -5.229 -1.651 -0.775
212 HD2 TYR 27 HD2 TYR 27 -4.257 -0.334 3.152
213 HE1 TYR 27 HE1 TYR 27 -6.289 -3.658 0.159
214 HE2 TYR 27 HE2 TYR 27 -5.317 -2.337 4.093
215 HH TYR 27 HH TYR 27 -7.039 -3.999 3.437
216 H GLN 28 HN GLN 28 -4.348 2.876 2.327
217 HA GLN 28 HA GLN 28 -6.307 1.989 4.130
218 HB2 GLN 28 HB2 GLN 28 -4.703 4.552 4.116
219 HB3 GLN 28 HB1 GLN 28 -5.692 4.014 5.467
220 HG2 GLN 28 HG2 GLN 28 -4.295 2.029 5.719
221 HG3 GLN 28 HG1 GLN 28 -3.320 2.531 4.337
222 HE21 GLN 28 HE21 GLN 28 -3.479 5.353 5.098
223 HE22 GLN 28 HE22 GLN 28 -2.392 5.542 6.422
224 H LYS 29 HN LYS 29 -6.193 4.796 1.995
225 HA LYS 29 HA LYS 29 -8.585 5.984 2.875
226 HB2 LYS 29 HB2 LYS 29 -6.963 7.220 1.551
227 HB3 LYS 29 HB1 LYS 29 -7.215 6.141 0.185
228 HG2 LYS 29 HG2 LYS 29 -9.463 6.941 -0.100
229 HG3 LYS 29 HG1 LYS 29 -9.343 7.913 1.367
230 HD2 LYS 29 HD2 LYS 29 -7.563 8.291 -1.035
231 HD3 LYS 29 HD1 LYS 29 -9.063 9.183 -0.782
232 HE2 LYS 29 HE2 LYS 29 -6.709 9.166 1.104
233 HE3 LYS 29 HE1 LYS 29 -7.074 10.442 -0.053
234 HZ1 LYS 29 HZ1 LYS 29 -9.192 10.790 1.088
235 HZ2 LYS 29 HZ2 LYS 29 -7.876 11.036 2.121
236 HZ3 LYS 29 HZ3 LYS 29 -8.780 9.612 2.231
237 H ASP 30 HN ASP 30 -7.938 3.779 0.152
238 HA ASP 30 HA ASP 30 -10.640 3.551 -0.643
239 HB2 ASP 30 HB2 ASP 30 -8.264 1.749 -1.092
240 HB3 ASP 30 HB1 ASP 30 -9.867 1.387 -1.735
241 H LEU 31 HN LEU 31 -8.707 1.900 1.724
242 HA LEU 31 HA LEU 31 -10.430 -0.249 2.311
243 HB2 LEU 31 HB2 LEU 31 -8.047 -0.013 3.039
244 HB3 LEU 31 HB1 LEU 31 -8.561 1.205 4.190
245 HG LEU 31 HG LEU 31 -9.990 -0.530 5.286
246 HD11 LEU 31 HD11 LEU 31 -10.235 -2.089 3.457
247 HD12 LEU 31 HD12 LEU 31 -9.445 -2.886 4.815
248 HD13 LEU 31 HD13 LEU 31 -8.495 -2.370 3.423
249 HD21 LEU 31 HD21 LEU 31 -8.109 -1.608 6.413
250 HD22 LEU 31 HD22 LEU 31 -7.816 0.113 6.163
251 HD23 LEU 31 HD23 LEU 31 -7.031 -1.074 5.121
252 H ALA 32 HN ALA 32 -10.101 2.958 3.787
253 HA ALA 32 HA ALA 32 -12.225 2.727 5.610
254 HB1 ALA 32 HB1 ALA 32 -10.504 4.475 5.723
255 HB2 ALA 32 HB2 ALA 32 -12.134 5.146 5.750
256 HB3 ALA 32 HB3 ALA 32 -11.178 5.213 4.270
257 H ASP 33 HN ASP 33 -12.048 3.941 2.315
258 HA ASP 33 HA ASP 33 -14.699 4.804 2.051
259 HB2 ASP 33 HB2 ASP 33 -12.922 5.414 0.472
260 HB3 ASP 33 HB1 ASP 33 -12.807 3.740 -0.058
261 H TYR 34 HN TYR 34 -13.205 1.674 1.623
262 HA TYR 34 HA TYR 34 -15.373 0.337 0.407
263 HB2 TYR 34 HB2 TYR 34 -13.034 -0.484 0.429
264 HB3 TYR 34 HB1 TYR 34 -13.177 -0.794 2.154
265 HD1 TYR 34 HD1 TYR 34 -14.774 -1.704 -1.097
266 HD2 TYR 34 HD2 TYR 34 -13.819 -2.893 2.870
267 HE1 TYR 34 HE1 TYR 34 -15.630 -3.955 -1.572
268 HE2 TYR 34 HE2 TYR 34 -14.672 -5.146 2.410
269 HH TYR 34 HH TYR 34 -15.374 -6.245 -0.730
270 HN1 NH2 35 HN1 NH2 35 -14.401 0.725 3.771
271 HN2 NH2 35 HN2 NH2 35 -15.871 0.139 4.465
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 -15.268 -2.876 -2.634
2 H2 ACE 0 HA2 ACE 0 -14.778 -2.207 -4.188
3 H3 ACE 0 HA3 ACE 0 -13.666 -2.104 -2.824
4 HA PRO 1 HA PRO 1 -12.860 -3.815 -1.015
5 HB2 PRO 1 HB2 PRO 1 -11.546 -6.248 -0.638
6 HB3 PRO 1 HB1 PRO 1 -13.092 -5.798 0.104
7 HG2 PRO 1 HG2 PRO 1 -12.568 -7.460 -2.299
8 HG3 PRO 1 HG1 PRO 1 -13.794 -7.658 -1.030
9 HD2 PRO 1 HD2 PRO 1 -14.449 -6.666 -3.432
10 HD3 PRO 1 HD1 PRO 1 -15.194 -6.040 -1.945
11 HA PRO 2 HA PRO 2 -9.179 -2.736 -3.256
12 HB2 PRO 2 HB2 PRO 2 -7.712 -1.854 -1.099
13 HB3 PRO 2 HB1 PRO 2 -8.958 -0.888 -1.917
14 HG2 PRO 2 HG2 PRO 2 -9.139 -2.455 0.603
15 HG3 PRO 2 HG1 PRO 2 -9.820 -0.864 0.206
16 HD2 PRO 2 HD2 PRO 2 -11.334 -3.096 0.200
17 HD3 PRO 2 HD1 PRO 2 -11.613 -1.766 -0.941
18 H THR 3 HN THR 3 -7.251 -3.663 -3.743
19 HA THR 3 HA THR 3 -6.553 -6.095 -2.322
20 HB THR 3 HB THR 3 -5.462 -4.916 -4.880
21 HG1 THR 3 HG1 THR 3 -7.669 -6.401 -4.276
22 HG21 THR 3 HG21 THR 3 -3.810 -6.347 -3.799
23 HG22 THR 3 HG22 THR 3 -4.462 -7.134 -5.235
24 HG23 THR 3 HG23 THR 3 -5.009 -7.628 -3.634
25 H LYS 4 HN LYS 4 -4.765 -6.375 -1.135
26 HA LYS 4 HA LYS 4 -3.440 -4.248 0.069
27 HB2 LYS 4 HB2 LYS 4 -2.502 -7.096 -0.308
28 HB3 LYS 4 HB1 LYS 4 -1.807 -5.952 0.836
29 HG2 LYS 4 HG2 LYS 4 -3.874 -5.873 2.071
30 HG3 LYS 4 HG1 LYS 4 -4.663 -6.904 0.878
31 HD2 LYS 4 HD2 LYS 4 -2.293 -7.702 2.567
32 HD3 LYS 4 HD1 LYS 4 -3.969 -8.128 2.914
33 HE2 LYS 4 HE2 LYS 4 -4.123 -9.390 0.866
34 HE3 LYS 4 HE1 LYS 4 -2.511 -8.871 0.380
35 HZ1 LYS 4 HZ1 LYS 4 -2.494 -11.107 1.279
36 HZ2 LYS 4 HZ2 LYS 4 -3.140 -10.559 2.740
37 HZ3 LYS 4 HZ3 LYS 4 -1.596 -10.067 2.260
38 HA PRO 5 HA PRO 5 -0.447 -2.714 -2.806
39 HB2 PRO 5 HB2 PRO 5 1.747 -2.600 -1.060
40 HB3 PRO 5 HB1 PRO 5 0.555 -1.311 -1.325
41 HG2 PRO 5 HG2 PRO 5 0.712 -3.323 0.852
42 HG3 PRO 5 HG1 PRO 5 0.176 -1.628 0.899
43 HD2 PRO 5 HD2 PRO 5 -1.600 -3.627 0.961
44 HD3 PRO 5 HD1 PRO 5 -1.934 -2.126 0.061
45 H THR 6 HN THR 6 0.511 -3.839 -4.314
46 HA THR 6 HA THR 6 1.639 -6.439 -3.842
47 HB THR 6 HB THR 6 1.755 -4.825 -6.386
48 HG1 THR 6 HG1 THR 6 -0.350 -6.367 -5.261
49 HG21 THR 6 HG21 THR 6 3.134 -6.843 -6.356
50 HG22 THR 6 HG22 THR 6 1.770 -7.031 -7.459
51 HG23 THR 6 HG23 THR 6 1.734 -7.800 -5.871
52 H LYS 7 HN LYS 7 2.745 -3.226 -3.900
53 HA LYS 7 HA LYS 7 5.417 -3.567 -4.711
54 HB2 LYS 7 HB2 LYS 7 4.213 -1.532 -2.825
55 HB3 LYS 7 HB1 LYS 7 5.826 -1.426 -3.511
56 HG2 LYS 7 HG2 LYS 7 4.917 -1.218 -5.737
57 HG3 LYS 7 HG1 LYS 7 3.280 -1.472 -5.123
58 HD2 LYS 7 HD2 LYS 7 3.448 0.590 -3.811
59 HD3 LYS 7 HD1 LYS 7 5.094 0.836 -4.398
60 HE2 LYS 7 HE2 LYS 7 3.506 2.221 -5.628
61 HE3 LYS 7 HE1 LYS 7 4.255 1.029 -6.686
62 HZ1 LYS 7 HZ1 LYS 7 1.911 1.160 -7.123
63 HZ2 LYS 7 HZ2 LYS 7 1.532 0.867 -5.499
64 HZ3 LYS 7 HZ3 LYS 7 2.255 -0.346 -6.436
65 HA PRO 8 HA PRO 8 7.301 -5.630 -1.278
66 HB2 PRO 8 HB2 PRO 8 9.795 -4.503 -1.377
67 HB3 PRO 8 HB1 PRO 8 9.248 -5.760 -2.499
68 HG2 PRO 8 HG2 PRO 8 9.390 -2.817 -2.889
69 HG3 PRO 8 HG1 PRO 8 9.813 -4.124 -4.012
70 HD2 PRO 8 HD2 PRO 8 7.480 -2.779 -4.210
71 HD3 PRO 8 HD1 PRO 8 7.610 -4.508 -4.610
72 H GLY 9 HN GLY 9 7.299 -5.291 0.865
73 HA2 GLY 9 HA2 GLY 9 7.889 -2.611 1.885
74 HA3 GLY 9 HA1 GLY 9 6.314 -3.297 2.236
75 H ASP 10 HN ASP 10 9.075 -5.374 2.069
76 HA ASP 10 HA ASP 10 9.023 -5.588 5.006
77 HB2 ASP 10 HB2 ASP 10 9.706 -7.767 3.024
78 HB3 ASP 10 HB1 ASP 10 9.669 -7.936 4.775
79 H ASN 11 HN ASN 11 11.226 -6.845 2.555
80 HA ASN 11 HA ASN 11 13.470 -5.798 4.120
81 HB2 ASN 11 HB2 ASN 11 14.836 -7.394 2.760
82 HB3 ASN 11 HB1 ASN 11 13.594 -8.170 3.734
83 HD21 ASN 11 HD21 ASN 11 11.887 -9.190 2.731
84 HD22 ASN 11 HD22 ASN 11 11.839 -9.484 1.027
85 H ALA 12 HN ALA 12 11.745 -4.382 2.074
86 HA ALA 12 HA ALA 12 13.387 -3.869 -0.192
87 HB1 ALA 12 HB1 ALA 12 10.863 -3.671 -0.031
88 HB2 ALA 12 HB2 ALA 12 11.712 -2.384 -0.881
89 HB3 ALA 12 HB3 ALA 12 11.143 -2.124 0.770
90 H THR 13 HN THR 13 14.218 -1.763 -0.765
91 HA THR 13 HA THR 13 15.869 -0.616 1.220
92 HB THR 13 HB THR 13 16.325 1.112 -0.553
93 HG1 THR 13 HG1 THR 13 15.325 0.908 -2.527
94 HG21 THR 13 HG21 THR 13 16.495 -1.781 -1.385
95 HG22 THR 13 HG22 THR 13 17.661 -0.918 -0.380
96 HG23 THR 13 HG23 THR 13 17.443 -0.458 -2.070
97 HA PRO 14 HA PRO 14 13.391 2.393 3.231
98 HB2 PRO 14 HB2 PRO 14 15.021 4.650 3.008
99 HB3 PRO 14 HB1 PRO 14 15.149 3.415 4.271
100 HG2 PRO 14 HG2 PRO 14 16.730 3.752 1.792
101 HG3 PRO 14 HG1 PRO 14 17.238 3.200 3.407
102 HD2 PRO 14 HD2 PRO 14 16.887 1.454 1.403
103 HD3 PRO 14 HD1 PRO 14 16.453 1.041 3.072
104 H GLU 15 HN GLU 15 14.861 3.467 0.191
105 HA GLU 15 HA GLU 15 13.029 5.556 -0.316
106 HB2 GLU 15 HB2 GLU 15 15.191 5.403 -1.453
107 HB3 GLU 15 HB1 GLU 15 14.676 3.920 -2.249
108 HG2 GLU 15 HG2 GLU 15 12.896 5.175 -3.398
109 HG3 GLU 15 HG1 GLU 15 13.471 6.651 -2.626
110 H LYS 16 HN LYS 16 13.085 2.142 -1.095
111 HA LYS 16 HA LYS 16 10.780 2.204 -2.776
112 HB2 LYS 16 HB2 LYS 16 12.632 0.458 -2.799
113 HB3 LYS 16 HB1 LYS 16 11.914 -0.189 -1.328
114 HG2 LYS 16 HG2 LYS 16 11.124 -1.500 -3.132
115 HG3 LYS 16 HG1 LYS 16 9.780 -0.479 -2.616
116 HD2 LYS 16 HD2 LYS 16 10.208 1.056 -4.445
117 HD3 LYS 16 HD1 LYS 16 11.620 0.117 -4.932
118 HE2 LYS 16 HE2 LYS 16 10.075 -1.833 -5.268
119 HE3 LYS 16 HE1 LYS 16 8.730 -0.722 -5.016
120 HZ1 LYS 16 HZ1 LYS 16 9.147 -0.973 -7.351
121 HZ2 LYS 16 HZ2 LYS 16 10.773 -0.560 -7.159
122 HZ3 LYS 16 HZ3 LYS 16 9.573 0.600 -6.894
123 H LEU 17 HN LEU 17 11.425 1.496 0.615
124 HA LEU 17 HA LEU 17 8.868 0.640 1.344
125 HB2 LEU 17 HB2 LEU 17 11.006 2.045 2.914
126 HB3 LEU 17 HB1 LEU 17 9.521 1.477 3.640
127 HG LEU 17 HG LEU 17 11.654 -0.217 2.342
128 HD11 LEU 17 HD11 LEU 17 12.212 0.644 4.566
129 HD12 LEU 17 HD12 LEU 17 11.969 -1.102 4.581
130 HD13 LEU 17 HD13 LEU 17 10.711 -0.030 5.199
131 HD21 LEU 17 HD21 LEU 17 8.984 -0.969 3.517
132 HD22 LEU 17 HD22 LEU 17 10.273 -2.117 3.156
133 HD23 LEU 17 HD23 LEU 17 9.522 -1.198 1.852
134 H ALA 18 HN ALA 18 10.249 3.875 1.101
135 HA ALA 18 HA ALA 18 8.125 5.319 2.191
136 HB1 ALA 18 HB1 ALA 18 9.003 7.221 0.964
137 HB2 ALA 18 HB2 ALA 18 9.970 6.139 -0.039
138 HB3 ALA 18 HB3 ALA 18 10.312 6.286 1.685
139 H LYS 19 HN LYS 19 8.729 4.260 -1.126
140 HA LYS 19 HA LYS 19 6.381 5.414 -2.218
141 HB2 LYS 19 HB2 LYS 19 8.387 4.708 -3.534
142 HB3 LYS 19 HB1 LYS 19 7.939 3.034 -3.243
143 HG2 LYS 19 HG2 LYS 19 5.866 3.351 -4.460
144 HG3 LYS 19 HG1 LYS 19 6.250 5.056 -4.700
145 HD2 LYS 19 HD2 LYS 19 8.237 4.428 -5.979
146 HD3 LYS 19 HD1 LYS 19 7.858 2.723 -5.735
147 HE2 LYS 19 HE2 LYS 19 7.124 3.405 -7.928
148 HE3 LYS 19 HE1 LYS 19 5.722 3.059 -6.918
149 HZ1 LYS 19 HZ1 LYS 19 6.797 5.753 -7.554
150 HZ2 LYS 19 HZ2 LYS 19 5.476 5.447 -6.543
151 HZ3 LYS 19 HZ3 LYS 19 5.388 5.066 -8.187
152 H TYR 20 HN TYR 20 7.157 2.305 -0.803
153 HA TYR 20 HA TYR 20 4.719 0.992 -1.280
154 HB2 TYR 20 HB2 TYR 20 6.628 -0.261 -0.522
155 HB3 TYR 20 HB1 TYR 20 6.756 0.716 0.937
156 HD1 TYR 20 HD1 TYR 20 4.613 -1.771 -0.792
157 HD2 TYR 20 HD2 TYR 20 5.602 0.099 2.901
158 HE1 TYR 20 HE1 TYR 20 3.220 -3.404 0.398
159 HE2 TYR 20 HE2 TYR 20 4.209 -1.537 4.102
160 HH TYR 20 HH TYR 20 2.323 -3.024 3.656
161 H GLN 21 HN GLN 21 5.799 3.068 1.383
162 HA GLN 21 HA GLN 21 3.487 2.830 2.966
163 HB2 GLN 21 HB2 GLN 21 5.467 5.102 2.764
164 HB3 GLN 21 HB1 GLN 21 4.234 4.966 4.009
165 HG2 GLN 21 HG2 GLN 21 6.516 3.063 3.536
166 HG3 GLN 21 HG1 GLN 21 6.379 4.231 4.847
167 HE21 GLN 21 HE21 GLN 21 6.707 1.350 4.979
168 HE22 GLN 21 HE22 GLN 21 5.353 0.739 5.862
169 H ALA 22 HN ALA 22 4.274 4.890 0.253
170 HA ALA 22 HA ALA 22 2.044 6.621 0.483
171 HB1 ALA 22 HB1 ALA 22 2.573 7.269 -1.813
172 HB2 ALA 22 HB2 ALA 22 3.672 5.895 -1.950
173 HB3 ALA 22 HB3 ALA 22 4.030 7.201 -0.819
174 H ASP 23 HN ASP 23 2.593 3.538 -1.092
175 HA ASP 23 HA ASP 23 0.043 3.508 -2.423
176 HB2 ASP 23 HB2 ASP 23 2.125 2.262 -3.189
177 HB3 ASP 23 HB1 ASP 23 1.831 1.130 -1.868
178 H LEU 24 HN LEU 24 1.413 2.200 0.533
179 HA LEU 24 HA LEU 24 -0.846 0.753 1.412
180 HB2 LEU 24 HB2 LEU 24 1.469 0.557 2.344
181 HB3 LEU 24 HB1 LEU 24 1.277 2.138 3.065
182 HG LEU 24 HG LEU 24 1.005 0.075 4.561
183 HD11 LEU 24 HD11 LEU 24 -0.741 1.155 5.890
184 HD12 LEU 24 HD12 LEU 24 -1.126 2.197 4.520
185 HD13 LEU 24 HD13 LEU 24 0.454 2.309 5.296
186 HD21 LEU 24 HD21 LEU 24 -1.671 0.040 3.180
187 HD22 LEU 24 HD22 LEU 24 -1.263 -0.859 4.639
188 HD23 LEU 24 HD23 LEU 24 -0.446 -1.225 3.121
189 H ALA 25 HN ALA 25 0.122 4.134 1.753
190 HA ALA 25 HA ALA 25 -1.967 5.016 3.397
191 HB1 ALA 25 HB1 ALA 25 -0.591 6.529 1.184
192 HB2 ALA 25 HB2 ALA 25 0.001 6.372 2.837
193 HB3 ALA 25 HB3 ALA 25 -1.505 7.233 2.519
194 H LYS 26 HN LYS 26 -1.737 4.644 -0.095
195 HA LYS 26 HA LYS 26 -4.289 5.597 -0.775
196 HB2 LYS 26 HB2 LYS 26 -2.491 5.165 -2.420
197 HB3 LYS 26 HB1 LYS 26 -2.665 3.441 -2.138
198 HG2 LYS 26 HG2 LYS 26 -5.125 3.807 -2.835
199 HG3 LYS 26 HG1 LYS 26 -4.531 5.321 -3.521
200 HD2 LYS 26 HD2 LYS 26 -4.502 3.674 -5.251
201 HD3 LYS 26 HD1 LYS 26 -2.831 3.989 -4.780
202 HE2 LYS 26 HE2 LYS 26 -3.147 1.617 -5.042
203 HE3 LYS 26 HE1 LYS 26 -2.901 1.978 -3.338
204 HZ1 LYS 26 HZ1 LYS 26 -4.674 0.445 -3.484
205 HZ2 LYS 26 HZ2 LYS 26 -5.448 1.324 -4.699
206 HZ3 LYS 26 HZ3 LYS 26 -5.393 1.938 -3.125
207 H TYR 27 HN TYR 27 -3.120 2.347 0.032
208 HA TYR 27 HA TYR 27 -5.519 0.960 -0.337
209 HB2 TYR 27 HB2 TYR 27 -3.447 -0.257 -0.057
210 HB3 TYR 27 HB1 TYR 27 -3.222 0.414 1.551
211 HD1 TYR 27 HD1 TYR 27 -5.268 -1.924 -0.454
212 HD2 TYR 27 HD2 TYR 27 -4.256 -0.583 3.458
213 HE1 TYR 27 HE1 TYR 27 -6.431 -3.861 0.505
214 HE2 TYR 27 HE2 TYR 27 -5.420 -2.520 4.425
215 HH TYR 27 HH TYR 27 -6.536 -5.158 2.477
216 H GLN 28 HN GLN 28 -4.261 2.658 2.502
217 HA GLN 28 HA GLN 28 -6.334 1.996 4.276
218 HB2 GLN 28 HB2 GLN 28 -4.634 4.499 4.147
219 HB3 GLN 28 HB1 GLN 28 -5.695 4.090 5.488
220 HG2 GLN 28 HG2 GLN 28 -4.362 2.012 5.832
221 HG3 GLN 28 HG1 GLN 28 -3.251 2.575 4.583
222 HE21 GLN 28 HE21 GLN 28 -1.918 4.334 5.012
223 HE22 GLN 28 HE22 GLN 28 -1.646 4.919 6.611
224 H LYS 29 HN LYS 29 -5.992 4.571 1.910
225 HA LYS 29 HA LYS 29 -8.361 5.968 2.509
226 HB2 LYS 29 HB2 LYS 29 -6.549 6.928 1.175
227 HB3 LYS 29 HB1 LYS 29 -6.839 5.746 -0.095
228 HG2 LYS 29 HG2 LYS 29 -9.039 6.697 -0.493
229 HG3 LYS 29 HG1 LYS 29 -8.779 7.867 0.800
230 HD2 LYS 29 HD2 LYS 29 -7.082 7.630 -1.684
231 HD3 LYS 29 HD1 LYS 29 -8.375 8.808 -1.453
232 HE2 LYS 29 HE2 LYS 29 -7.176 9.708 0.497
233 HE3 LYS 29 HE1 LYS 29 -5.871 8.560 0.209
234 HZ1 LYS 29 HZ1 LYS 29 -6.747 10.679 -1.674
235 HZ2 LYS 29 HZ2 LYS 29 -5.476 9.593 -1.930
236 HZ3 LYS 29 HZ3 LYS 29 -5.370 10.741 -0.694
237 H ASP 30 HN ASP 30 -7.652 3.472 0.082
238 HA ASP 30 HA ASP 30 -10.265 3.254 -0.944
239 HB2 ASP 30 HB2 ASP 30 -8.047 1.197 -0.821
240 HB3 ASP 30 HB1 ASP 30 -9.534 1.008 -1.748
241 H LEU 31 HN LEU 31 -8.637 1.719 1.739
242 HA LEU 31 HA LEU 31 -10.597 -0.190 2.403
243 HB2 LEU 31 HB2 LEU 31 -8.248 -0.150 3.242
244 HB3 LEU 31 HB1 LEU 31 -8.655 1.238 4.229
245 HG LEU 31 HG LEU 31 -10.253 -0.144 5.499
246 HD11 LEU 31 HD11 LEU 31 -10.147 -2.596 5.245
247 HD12 LEU 31 HD12 LEU 31 -9.183 -2.380 3.784
248 HD13 LEU 31 HD13 LEU 31 -10.845 -1.791 3.841
249 HD21 LEU 31 HD21 LEU 31 -7.987 0.158 6.300
250 HD22 LEU 31 HD22 LEU 31 -7.441 -1.214 5.334
251 HD23 LEU 31 HD23 LEU 31 -8.556 -1.467 6.678
252 H ALA 32 HN ALA 32 -10.078 3.139 3.480
253 HA ALA 32 HA ALA 32 -12.192 3.257 5.328
254 HB1 ALA 32 HB1 ALA 32 -10.372 4.889 5.247
255 HB2 ALA 32 HB2 ALA 32 -11.952 5.669 5.170
256 HB3 ALA 32 HB3 ALA 32 -10.986 5.485 3.706
257 H ASP 33 HN ASP 33 -11.997 4.015 1.889
258 HA ASP 33 HA ASP 33 -14.616 4.935 1.522
259 HB2 ASP 33 HB2 ASP 33 -13.149 5.278 -0.294
260 HB3 ASP 33 HB1 ASP 33 -12.657 3.590 -0.327
261 H TYR 34 HN TYR 34 -13.280 1.681 1.500
262 HA TYR 34 HA TYR 34 -15.588 0.322 0.645
263 HB2 TYR 34 HB2 TYR 34 -13.314 -0.670 0.719
264 HB3 TYR 34 HB1 TYR 34 -13.400 -0.682 2.478
265 HD1 TYR 34 HD1 TYR 34 -14.746 -2.178 -0.601
266 HD2 TYR 34 HD2 TYR 34 -14.667 -2.332 3.644
267 HE1 TYR 34 HE1 TYR 34 -15.797 -4.393 -0.665
268 HE2 TYR 34 HE2 TYR 34 -15.724 -4.544 3.591
269 HH TYR 34 HH TYR 34 -17.150 -5.873 2.038
270 HN1 NH2 35 HN1 NH2 35 -14.304 0.773 3.921
271 HN2 NH2 35 HN2 NH2 35 -15.818 0.597 4.735
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 -13.556 -0.992 -3.490
2 H2 ACE 0 HA2 ACE 0 -15.114 -1.792 -3.293
3 H3 ACE 0 HA3 ACE 0 -14.828 -0.821 -4.736
4 HA PRO 1 HA PRO 1 -12.768 -3.166 -2.128
5 HB2 PRO 1 HB2 PRO 1 -11.528 -5.659 -2.448
6 HB3 PRO 1 HB1 PRO 1 -13.001 -5.354 -1.510
7 HG2 PRO 1 HG2 PRO 1 -12.706 -6.413 -4.263
8 HG3 PRO 1 HG1 PRO 1 -13.883 -6.837 -3.004
9 HD2 PRO 1 HD2 PRO 1 -14.574 -5.279 -5.076
10 HD3 PRO 1 HD1 PRO 1 -15.222 -4.989 -3.448
11 HA PRO 2 HA PRO 2 -9.171 -1.677 -4.307
12 HB2 PRO 2 HB2 PRO 2 -7.692 -1.048 -2.082
13 HB3 PRO 2 HB1 PRO 2 -8.993 -0.023 -2.723
14 HG2 PRO 2 HG2 PRO 2 -9.046 -1.940 -0.449
15 HG3 PRO 2 HG1 PRO 2 -9.786 -0.333 -0.591
16 HD2 PRO 2 HD2 PRO 2 -11.220 -2.605 -0.885
17 HD3 PRO 2 HD1 PRO 2 -11.594 -1.123 -1.788
18 H THR 3 HN THR 3 -7.069 -2.343 -4.764
19 HA THR 3 HA THR 3 -6.476 -5.069 -3.961
20 HB THR 3 HB THR 3 -5.037 -3.311 -5.950
21 HG1 THR 3 HG1 THR 3 -7.291 -3.781 -6.453
22 HG21 THR 3 HG21 THR 3 -3.694 -5.188 -5.142
23 HG22 THR 3 HG22 THR 3 -4.167 -5.427 -6.825
24 HG23 THR 3 HG23 THR 3 -5.003 -6.301 -5.541
25 H LYS 4 HN LYS 4 -4.928 -5.642 -2.577
26 HA LYS 4 HA LYS 4 -3.442 -3.683 -1.133
27 HB2 LYS 4 HB2 LYS 4 -3.166 -6.697 -1.222
28 HB3 LYS 4 HB1 LYS 4 -2.330 -5.648 -0.079
29 HG2 LYS 4 HG2 LYS 4 -4.580 -4.879 0.705
30 HG3 LYS 4 HG1 LYS 4 -5.285 -6.146 -0.297
31 HD2 LYS 4 HD2 LYS 4 -3.267 -6.603 1.894
32 HD3 LYS 4 HD1 LYS 4 -5.009 -6.784 2.086
33 HE2 LYS 4 HE2 LYS 4 -5.013 -8.530 0.367
34 HE3 LYS 4 HE1 LYS 4 -3.268 -8.351 0.184
35 HZ1 LYS 4 HZ1 LYS 4 -4.634 -9.158 2.697
36 HZ2 LYS 4 HZ2 LYS 4 -2.965 -9.076 2.445
37 HZ3 LYS 4 HZ3 LYS 4 -3.884 -10.225 1.620
38 HA PRO 5 HA PRO 5 -0.246 -3.077 -4.138
39 HB2 PRO 5 HB2 PRO 5 1.726 -2.304 -2.321
40 HB3 PRO 5 HB1 PRO 5 0.541 -1.222 -3.081
41 HG2 PRO 5 HG2 PRO 5 0.525 -2.440 -0.374
42 HG3 PRO 5 HG1 PRO 5 -0.047 -0.843 -0.913
43 HD2 PRO 5 HD2 PRO 5 -1.759 -2.850 -0.371
44 HD3 PRO 5 HD1 PRO 5 -2.072 -1.670 -1.671
45 H THR 6 HN THR 6 1.042 -4.502 -5.062
46 HA THR 6 HA THR 6 1.937 -6.858 -3.715
47 HB THR 6 HB THR 6 2.884 -5.901 -6.407
48 HG1 THR 6 HG1 THR 6 0.413 -7.139 -5.712
49 HG21 THR 6 HG21 THR 6 2.401 -8.645 -5.246
50 HG22 THR 6 HG22 THR 6 3.971 -7.899 -5.551
51 HG23 THR 6 HG23 THR 6 2.915 -8.318 -6.901
52 H LYS 7 HN LYS 7 3.091 -3.736 -3.997
53 HA LYS 7 HA LYS 7 5.852 -3.956 -4.121
54 HB2 LYS 7 HB2 LYS 7 4.200 -2.009 -2.509
55 HB3 LYS 7 HB1 LYS 7 5.887 -1.790 -2.944
56 HG2 LYS 7 HG2 LYS 7 5.312 -1.630 -5.274
57 HG3 LYS 7 HG1 LYS 7 3.625 -2.020 -4.920
58 HD2 LYS 7 HD2 LYS 7 3.494 0.038 -3.532
59 HD3 LYS 7 HD1 LYS 7 5.139 0.440 -4.028
60 HE2 LYS 7 HE2 LYS 7 3.542 1.662 -5.376
61 HE3 LYS 7 HE1 LYS 7 4.401 0.490 -6.373
62 HZ1 LYS 7 HZ1 LYS 7 1.654 0.181 -5.267
63 HZ2 LYS 7 HZ2 LYS 7 2.479 -0.997 -6.164
64 HZ3 LYS 7 HZ3 LYS 7 2.060 0.471 -6.888
65 HA PRO 8 HA PRO 8 6.982 -6.085 -0.418
66 HB2 PRO 8 HB2 PRO 8 9.487 -5.016 -0.062
67 HB3 PRO 8 HB1 PRO 8 9.112 -6.287 -1.241
68 HG2 PRO 8 HG2 PRO 8 9.427 -3.363 -1.659
69 HG3 PRO 8 HG1 PRO 8 9.980 -4.713 -2.671
70 HD2 PRO 8 HD2 PRO 8 7.775 -3.273 -3.280
71 HD3 PRO 8 HD1 PRO 8 7.900 -5.011 -3.640
72 H GLY 9 HN GLY 9 6.850 -5.794 1.735
73 HA2 GLY 9 HA2 GLY 9 6.697 -3.008 2.690
74 HA3 GLY 9 HA1 GLY 9 5.684 -4.304 3.303
75 H ASP 10 HN ASP 10 8.311 -5.951 2.989
76 HA ASP 10 HA ASP 10 9.701 -4.954 5.373
77 HB2 ASP 10 HB2 ASP 10 8.805 -7.805 4.903
78 HB3 ASP 10 HB1 ASP 10 9.938 -7.323 6.156
79 H ASN 11 HN ASN 11 11.916 -5.659 5.523
80 HA ASN 11 HA ASN 11 13.998 -6.063 4.702
81 HB2 ASN 11 HB2 ASN 11 12.426 -8.031 3.049
82 HB3 ASN 11 HB1 ASN 11 14.180 -7.906 2.957
83 HD21 ASN 11 HD21 ASN 11 12.518 -10.131 3.831
84 HD22 ASN 11 HD22 ASN 11 13.015 -10.490 5.448
85 H ALA 12 HN ALA 12 12.176 -4.066 3.384
86 HA ALA 12 HA ALA 12 13.331 -3.990 0.698
87 HB1 ALA 12 HB1 ALA 12 11.005 -2.436 1.814
88 HB2 ALA 12 HB2 ALA 12 10.882 -3.917 0.864
89 HB3 ALA 12 HB3 ALA 12 11.547 -2.456 0.136
90 H THR 13 HN THR 13 14.058 -1.953 -0.133
91 HA THR 13 HA THR 13 15.777 -0.562 1.651
92 HB THR 13 HB THR 13 16.200 0.891 -0.352
93 HG1 THR 13 HG1 THR 13 14.896 -0.828 -2.056
94 HG21 THR 13 HG21 THR 13 17.287 -0.877 -1.651
95 HG22 THR 13 HG22 THR 13 16.336 -2.089 -0.788
96 HG23 THR 13 HG23 THR 13 17.521 -1.114 0.081
97 HA PRO 14 HA PRO 14 13.332 2.764 3.183
98 HB2 PRO 14 HB2 PRO 14 15.016 4.918 2.613
99 HB3 PRO 14 HB1 PRO 14 15.119 3.897 4.057
100 HG2 PRO 14 HG2 PRO 14 16.705 3.802 1.560
101 HG3 PRO 14 HG1 PRO 14 17.202 3.498 3.244
102 HD2 PRO 14 HD2 PRO 14 16.805 1.471 1.531
103 HD3 PRO 14 HD1 PRO 14 16.376 1.332 3.246
104 H GLU 15 HN GLU 15 14.838 3.266 0.018
105 HA GLU 15 HA GLU 15 13.093 5.291 -0.875
106 HB2 GLU 15 HB2 GLU 15 15.245 4.801 -1.962
107 HB3 GLU 15 HB1 GLU 15 14.624 3.241 -2.488
108 HG2 GLU 15 HG2 GLU 15 12.880 4.430 -3.797
109 HG3 GLU 15 HG1 GLU 15 13.641 5.954 -3.345
110 H LYS 16 HN LYS 16 13.031 1.780 -1.146
111 HA LYS 16 HA LYS 16 10.710 1.660 -2.781
112 HB2 LYS 16 HB2 LYS 16 12.448 -0.144 -2.596
113 HB3 LYS 16 HB1 LYS 16 11.846 -0.487 -0.982
114 HG2 LYS 16 HG2 LYS 16 10.891 -2.089 -2.434
115 HG3 LYS 16 HG1 LYS 16 9.609 -0.953 -2.014
116 HD2 LYS 16 HD2 LYS 16 9.479 -1.424 -4.369
117 HD3 LYS 16 HD1 LYS 16 10.041 0.234 -4.159
118 HE2 LYS 16 HE2 LYS 16 12.359 -0.538 -4.497
119 HE3 LYS 16 HE1 LYS 16 11.758 -2.172 -4.764
120 HZ1 LYS 16 HZ1 LYS 16 11.121 0.203 -6.427
121 HZ2 LYS 16 HZ2 LYS 16 10.533 -1.360 -6.683
122 HZ3 LYS 16 HZ3 LYS 16 12.183 -1.043 -6.846
123 H LEU 17 HN LEU 17 11.314 1.278 0.682
124 HA LEU 17 HA LEU 17 8.709 0.643 1.459
125 HB2 LEU 17 HB2 LEU 17 10.966 1.980 2.915
126 HB3 LEU 17 HB1 LEU 17 9.439 1.630 3.692
127 HG LEU 17 HG LEU 17 11.306 -0.410 2.486
128 HD11 LEU 17 HD11 LEU 17 12.201 0.588 4.514
129 HD12 LEU 17 HD12 LEU 17 11.703 -1.080 4.803
130 HD13 LEU 17 HD13 LEU 17 10.691 0.252 5.362
131 HD21 LEU 17 HD21 LEU 17 8.703 -0.712 3.978
132 HD22 LEU 17 HD22 LEU 17 9.809 -2.035 3.610
133 HD23 LEU 17 HD23 LEU 17 9.025 -1.154 2.301
134 H ALA 18 HN ALA 18 10.273 3.759 0.957
135 HA ALA 18 HA ALA 18 8.262 5.366 2.059
136 HB1 ALA 18 HB1 ALA 18 9.249 7.186 0.799
137 HB2 ALA 18 HB2 ALA 18 10.138 6.032 -0.197
138 HB3 ALA 18 HB3 ALA 18 10.505 6.182 1.521
139 H LYS 19 HN LYS 19 8.702 4.091 -1.211
140 HA LYS 19 HA LYS 19 6.386 5.405 -2.249
141 HB2 LYS 19 HB2 LYS 19 8.321 4.616 -3.637
142 HB3 LYS 19 HB1 LYS 19 7.776 2.968 -3.365
143 HG2 LYS 19 HG2 LYS 19 5.717 3.397 -4.525
144 HG3 LYS 19 HG1 LYS 19 6.109 5.111 -4.668
145 HD2 LYS 19 HD2 LYS 19 6.559 4.048 -6.772
146 HD3 LYS 19 HD1 LYS 19 8.097 4.481 -6.025
147 HE2 LYS 19 HE2 LYS 19 8.296 2.152 -5.201
148 HE3 LYS 19 HE1 LYS 19 6.817 1.751 -6.069
149 HZ1 LYS 19 HZ1 LYS 19 7.940 2.440 -8.129
150 HZ2 LYS 19 HZ2 LYS 19 8.702 1.134 -7.379
151 HZ3 LYS 19 HZ3 LYS 19 9.371 2.682 -7.259
152 H TYR 20 HN TYR 20 7.066 2.282 -0.811
153 HA TYR 20 HA TYR 20 4.580 1.060 -1.258
154 HB2 TYR 20 HB2 TYR 20 6.453 -0.234 -0.426
155 HB3 TYR 20 HB1 TYR 20 6.541 0.755 1.028
156 HD1 TYR 20 HD1 TYR 20 4.199 -1.529 -0.784
157 HD2 TYR 20 HD2 TYR 20 5.482 0.024 2.959
158 HE1 TYR 20 HE1 TYR 20 2.701 -3.097 0.376
159 HE2 TYR 20 HE2 TYR 20 3.990 -1.537 4.129
160 HH TYR 20 HH TYR 20 2.489 -4.162 2.577
161 H GLN 21 HN GLN 21 5.742 3.119 1.381
162 HA GLN 21 HA GLN 21 3.391 3.054 2.928
163 HB2 GLN 21 HB2 GLN 21 5.524 5.184 2.715
164 HB3 GLN 21 HB1 GLN 21 4.272 5.148 3.948
165 HG2 GLN 21 HG2 GLN 21 5.137 3.088 4.839
166 HG3 GLN 21 HG1 GLN 21 6.320 2.985 3.533
167 HE21 GLN 21 HE21 GLN 21 8.081 2.996 4.911
168 HE22 GLN 21 HE22 GLN 21 8.571 4.401 5.788
169 H ALA 22 HN ALA 22 4.366 5.031 0.208
170 HA ALA 22 HA ALA 22 2.296 6.945 0.413
171 HB1 ALA 22 HB1 ALA 22 3.895 6.078 -1.992
172 HB2 ALA 22 HB2 ALA 22 4.329 7.360 -0.862
173 HB3 ALA 22 HB3 ALA 22 2.905 7.535 -1.888
174 H ASP 23 HN ASP 23 2.633 3.940 -1.413
175 HA ASP 23 HA ASP 23 0.062 4.170 -2.668
176 HB2 ASP 23 HB2 ASP 23 1.997 2.909 -3.648
177 HB3 ASP 23 HB1 ASP 23 1.813 1.709 -2.367
178 H LEU 24 HN LEU 24 1.378 2.494 0.130
179 HA LEU 24 HA LEU 24 -0.931 1.039 0.832
180 HB2 LEU 24 HB2 LEU 24 1.480 0.802 1.691
181 HB3 LEU 24 HB1 LEU 24 1.108 2.135 2.761
182 HG LEU 24 HG LEU 24 0.964 -0.232 3.710
183 HD11 LEU 24 HD11 LEU 24 -0.965 0.326 5.101
184 HD12 LEU 24 HD12 LEU 24 -1.400 1.611 3.975
185 HD13 LEU 24 HD13 LEU 24 0.107 1.709 4.883
186 HD21 LEU 24 HD21 LEU 24 -1.062 -1.458 3.334
187 HD22 LEU 24 HD22 LEU 24 -0.285 -1.159 1.777
188 HD23 LEU 24 HD23 LEU 24 -1.678 -0.196 2.270
189 H ALA 25 HN ALA 25 0.140 4.327 1.523
190 HA ALA 25 HA ALA 25 -1.810 5.055 3.389
191 HB1 ALA 25 HB1 ALA 25 -1.328 7.339 2.781
192 HB2 ALA 25 HB2 ALA 25 -0.587 6.812 1.269
193 HB3 ALA 25 HB3 ALA 25 0.171 6.412 2.811
194 H LYS 26 HN LYS 26 -1.841 5.196 -0.149
195 HA LYS 26 HA LYS 26 -4.435 6.225 -0.462
196 HB2 LYS 26 HB2 LYS 26 -2.860 6.091 -2.333
197 HB3 LYS 26 HB1 LYS 26 -2.895 4.338 -2.262
198 HG2 LYS 26 HG2 LYS 26 -5.323 4.420 -2.782
199 HG3 LYS 26 HG1 LYS 26 -5.170 6.162 -3.003
200 HD2 LYS 26 HD2 LYS 26 -3.596 5.823 -4.813
201 HD3 LYS 26 HD1 LYS 26 -3.639 4.078 -4.553
202 HE2 LYS 26 HE2 LYS 26 -5.988 5.789 -5.367
203 HE3 LYS 26 HE1 LYS 26 -5.042 4.771 -6.451
204 HZ1 LYS 26 HZ1 LYS 26 -7.062 3.656 -5.786
205 HZ2 LYS 26 HZ2 LYS 26 -6.675 3.827 -4.147
206 HZ3 LYS 26 HZ3 LYS 26 -5.728 2.838 -5.147
207 H TYR 27 HN TYR 27 -3.229 2.920 -0.156
208 HA TYR 27 HA TYR 27 -5.651 1.590 -0.618
209 HB2 TYR 27 HB2 TYR 27 -3.524 0.390 -0.641
210 HB3 TYR 27 HB1 TYR 27 -3.288 0.739 1.066
211 HD1 TYR 27 HD1 TYR 27 -5.412 -1.126 -1.325
212 HD2 TYR 27 HD2 TYR 27 -4.242 -0.648 2.740
213 HE1 TYR 27 HE1 TYR 27 -6.603 -3.193 -0.745
214 HE2 TYR 27 HE2 TYR 27 -5.431 -2.718 3.327
215 HH TYR 27 HH TYR 27 -7.224 -4.111 2.497
216 H GLN 28 HN GLN 28 -4.282 2.991 2.303
217 HA GLN 28 HA GLN 28 -6.066 1.925 4.171
218 HB2 GLN 28 HB2 GLN 28 -4.714 4.634 4.153
219 HB3 GLN 28 HB1 GLN 28 -5.553 3.954 5.538
220 HG2 GLN 28 HG2 GLN 28 -3.938 2.104 5.601
221 HG3 GLN 28 HG1 GLN 28 -3.088 2.814 4.224
222 HE21 GLN 28 HE21 GLN 28 -1.183 3.139 5.368
223 HE22 GLN 28 HE22 GLN 28 -1.027 4.341 6.598
224 H LYS 29 HN LYS 29 -6.268 4.901 2.251
225 HA LYS 29 HA LYS 29 -8.735 5.759 3.326
226 HB2 LYS 29 HB2 LYS 29 -7.133 7.252 2.153
227 HB3 LYS 29 HB1 LYS 29 -7.546 6.457 0.636
228 HG2 LYS 29 HG2 LYS 29 -9.744 7.306 0.674
229 HG3 LYS 29 HG1 LYS 29 -9.603 7.811 2.357
230 HD2 LYS 29 HD2 LYS 29 -9.450 9.748 0.925
231 HD3 LYS 29 HD1 LYS 29 -7.885 9.456 1.682
232 HE2 LYS 29 HE2 LYS 29 -7.517 10.007 -0.616
233 HE3 LYS 29 HE1 LYS 29 -7.169 8.294 -0.401
234 HZ1 LYS 29 HZ1 LYS 29 -8.446 8.693 -2.405
235 HZ2 LYS 29 HZ2 LYS 29 -9.681 9.419 -1.512
236 HZ3 LYS 29 HZ3 LYS 29 -9.348 7.777 -1.307
237 H ASP 30 HN ASP 30 -7.919 3.983 0.357
238 HA ASP 30 HA ASP 30 -10.555 3.685 -0.585
239 HB2 ASP 30 HB2 ASP 30 -8.056 2.051 -1.014
240 HB3 ASP 30 HB1 ASP 30 -9.598 1.596 -1.735
241 H LEU 31 HN LEU 31 -8.603 1.741 1.597
242 HA LEU 31 HA LEU 31 -10.393 -0.402 1.956
243 HB2 LEU 31 HB2 LEU 31 -7.989 -0.372 2.642
244 HB3 LEU 31 HB1 LEU 31 -8.408 0.735 3.932
245 HG LEU 31 HG LEU 31 -9.864 -1.019 4.915
246 HD11 LEU 31 HD11 LEU 31 -8.647 -2.738 2.756
247 HD12 LEU 31 HD12 LEU 31 -10.355 -2.345 2.959
248 HD13 LEU 31 HD13 LEU 31 -9.533 -3.345 4.154
249 HD21 LEU 31 HD21 LEU 31 -7.995 -2.381 5.757
250 HD22 LEU 31 HD22 LEU 31 -7.623 -0.657 5.737
251 HD23 LEU 31 HD23 LEU 31 -6.966 -1.716 4.490
252 H ALA 32 HN ALA 32 -9.988 2.664 3.646
253 HA ALA 32 HA ALA 32 -11.874 2.255 5.679
254 HB1 ALA 32 HB1 ALA 32 -11.041 4.844 4.387
255 HB2 ALA 32 HB2 ALA 32 -10.202 4.045 5.717
256 HB3 ALA 32 HB3 ALA 32 -11.835 4.671 5.952
257 H ASP 33 HN ASP 33 -12.143 3.708 2.473
258 HA ASP 33 HA ASP 33 -14.860 4.445 2.720
259 HB2 ASP 33 HB2 ASP 33 -13.255 5.392 1.044
260 HB3 ASP 33 HB1 ASP 33 -13.355 3.872 0.161
261 H TYR 34 HN TYR 34 -13.257 1.506 1.812
262 HA TYR 34 HA TYR 34 -15.556 0.227 0.675
263 HB2 TYR 34 HB2 TYR 34 -13.288 -0.438 0.026
264 HB3 TYR 34 HB1 TYR 34 -12.946 -0.926 1.680
265 HD1 TYR 34 HD1 TYR 34 -15.321 -1.644 -1.105
266 HD2 TYR 34 HD2 TYR 34 -13.215 -3.148 2.267
267 HE1 TYR 34 HE1 TYR 34 -16.124 -3.905 -1.621
268 HE2 TYR 34 HE2 TYR 34 -14.015 -5.411 1.764
269 HH TYR 34 HH TYR 34 -15.648 -6.182 -1.196
270 HN1 NH2 35 HN1 NH2 35 -14.079 0.410 3.831
271 HN2 NH2 35 HN2 NH2 35 -15.282 -0.502 4.673
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 -14.944 -2.305 -3.962
2 H2 ACE 0 HA2 ACE 0 -14.572 -1.395 -5.424
3 H3 ACE 0 HA3 ACE 0 -13.466 -1.298 -4.053
4 HA PRO 1 HA PRO 1 -12.839 -3.351 -2.388
5 HB2 PRO 1 HB2 PRO 1 -11.645 -6.045 -2.633
6 HB3 PRO 1 HB1 PRO 1 -12.760 -5.421 -1.406
7 HG2 PRO 1 HG2 PRO 1 -13.533 -7.197 -3.240
8 HG3 PRO 1 HG1 PRO 1 -14.620 -5.943 -2.615
9 HD2 PRO 1 HD2 PRO 1 -13.185 -6.058 -5.233
10 HD3 PRO 1 HD1 PRO 1 -14.807 -5.437 -4.859
11 HA PRO 2 HA PRO 2 -8.841 -2.057 -3.870
12 HB2 PRO 2 HB2 PRO 2 -7.812 -1.270 -1.448
13 HB3 PRO 2 HB1 PRO 2 -8.924 -0.280 -2.418
14 HG2 PRO 2 HG2 PRO 2 -9.496 -2.001 -0.062
15 HG3 PRO 2 HG1 PRO 2 -10.144 -0.402 -0.481
16 HD2 PRO 2 HD2 PRO 2 -11.560 -2.663 -0.879
17 HD3 PRO 2 HD1 PRO 2 -11.689 -1.265 -1.964
18 H THR 3 HN THR 3 -6.895 -3.007 -4.099
19 HA THR 3 HA THR 3 -6.484 -5.520 -2.680
20 HB THR 3 HB THR 3 -4.900 -4.447 -5.009
21 HG1 THR 3 HG1 THR 3 -6.847 -4.589 -5.929
22 HG21 THR 3 HG21 THR 3 -4.407 -6.801 -5.412
23 HG22 THR 3 HG22 THR 3 -5.405 -7.259 -4.033
24 HG23 THR 3 HG23 THR 3 -3.922 -6.339 -3.780
25 H LYS 4 HN LYS 4 -4.841 -5.861 -1.286
26 HA LYS 4 HA LYS 4 -3.342 -3.751 -0.210
27 HB2 LYS 4 HB2 LYS 4 -2.882 -6.739 -0.125
28 HB3 LYS 4 HB1 LYS 4 -1.946 -5.580 0.819
29 HG2 LYS 4 HG2 LYS 4 -4.022 -4.838 1.912
30 HG3 LYS 4 HG1 LYS 4 -4.912 -6.064 1.010
31 HD2 LYS 4 HD2 LYS 4 -3.604 -7.817 2.074
32 HD3 LYS 4 HD1 LYS 4 -2.651 -6.600 2.927
33 HE2 LYS 4 HE2 LYS 4 -4.672 -5.828 4.076
34 HE3 LYS 4 HE1 LYS 4 -5.619 -7.050 3.230
35 HZ1 LYS 4 HZ1 LYS 4 -4.256 -8.756 4.305
36 HZ2 LYS 4 HZ2 LYS 4 -5.074 -7.801 5.433
37 HZ3 LYS 4 HZ3 LYS 4 -3.423 -7.559 5.163
38 HA PRO 5 HA PRO 5 -0.233 -2.957 -3.132
39 HB2 PRO 5 HB2 PRO 5 1.802 -2.922 -0.982
40 HB3 PRO 5 HB1 PRO 5 1.316 -1.632 -2.102
41 HG2 PRO 5 HG2 PRO 5 0.637 -1.542 0.456
42 HG3 PRO 5 HG1 PRO 5 -0.471 -0.989 -0.824
43 HD2 PRO 5 HD2 PRO 5 -0.518 -3.547 0.736
44 HD3 PRO 5 HD1 PRO 5 -1.871 -2.515 0.212
45 H THR 6 HN THR 6 0.699 -4.269 -4.498
46 HA THR 6 HA THR 6 1.680 -6.859 -3.748
47 HB THR 6 HB THR 6 2.006 -5.506 -6.421
48 HG1 THR 6 HG1 THR 6 -0.123 -7.028 -6.506
49 HG21 THR 6 HG21 THR 6 3.192 -7.625 -6.139
50 HG22 THR 6 HG22 THR 6 1.856 -7.802 -7.276
51 HG23 THR 6 HG23 THR 6 1.694 -8.401 -5.625
52 H LYS 7 HN LYS 7 2.919 -3.754 -3.907
53 HA LYS 7 HA LYS 7 5.603 -4.160 -4.632
54 HB2 LYS 7 HB2 LYS 7 4.425 -2.108 -2.750
55 HB3 LYS 7 HB1 LYS 7 5.998 -2.005 -3.521
56 HG2 LYS 7 HG2 LYS 7 4.988 -1.767 -5.684
57 HG3 LYS 7 HG1 LYS 7 3.379 -2.071 -5.012
58 HD2 LYS 7 HD2 LYS 7 3.613 -0.035 -3.622
59 HD3 LYS 7 HD1 LYS 7 5.175 0.279 -4.380
60 HE2 LYS 7 HE2 LYS 7 3.420 1.625 -5.402
61 HE3 LYS 7 HE1 LYS 7 4.082 0.473 -6.558
62 HZ1 LYS 7 HZ1 LYS 7 2.173 -0.947 -6.209
63 HZ2 LYS 7 HZ2 LYS 7 1.661 0.599 -6.660
64 HZ3 LYS 7 HZ3 LYS 7 1.548 0.112 -5.042
65 HA PRO 8 HA PRO 8 7.275 -6.116 -0.991
66 HB2 PRO 8 HB2 PRO 8 9.818 -5.123 -1.075
67 HB3 PRO 8 HB1 PRO 8 9.247 -6.424 -2.136
68 HG2 PRO 8 HG2 PRO 8 9.588 -3.532 -2.708
69 HG3 PRO 8 HG1 PRO 8 9.935 -4.936 -3.738
70 HD2 PRO 8 HD2 PRO 8 7.699 -3.413 -4.034
71 HD3 PRO 8 HD1 PRO 8 7.743 -5.149 -4.414
72 H GLY 9 HN GLY 9 7.318 -5.620 1.133
73 HA2 GLY 9 HA2 GLY 9 7.867 -2.844 1.914
74 HA3 GLY 9 HA1 GLY 9 6.327 -3.556 2.361
75 H ASP 10 HN ASP 10 8.991 -5.687 2.316
76 HA ASP 10 HA ASP 10 9.044 -5.632 5.257
77 HB2 ASP 10 HB2 ASP 10 9.675 -7.892 3.351
78 HB3 ASP 10 HB1 ASP 10 9.912 -7.972 5.091
79 H ASN 11 HN ASN 11 11.279 -6.815 2.773
80 HA ASN 11 HA ASN 11 13.475 -5.536 4.252
81 HB2 ASN 11 HB2 ASN 11 13.579 -7.775 2.215
82 HB3 ASN 11 HB1 ASN 11 14.964 -7.107 3.069
83 HD21 ASN 11 HD21 ASN 11 12.187 -9.149 3.277
84 HD22 ASN 11 HD22 ASN 11 12.540 -9.824 4.827
85 H ALA 12 HN ALA 12 11.617 -4.324 2.259
86 HA ALA 12 HA ALA 12 13.092 -3.815 -0.117
87 HB1 ALA 12 HB1 ALA 12 10.642 -3.642 -0.002
88 HB2 ALA 12 HB2 ALA 12 11.392 -2.160 -0.597
89 HB3 ALA 12 HB3 ALA 12 10.806 -2.247 1.066
90 H THR 13 HN THR 13 13.905 -1.717 -0.770
91 HA THR 13 HA THR 13 15.677 -0.606 1.133
92 HB THR 13 HB THR 13 16.205 1.044 -0.623
93 HG1 THR 13 HG1 THR 13 14.989 0.319 -2.728
94 HG21 THR 13 HG21 THR 13 17.243 -1.176 -0.642
95 HG22 THR 13 HG22 THR 13 17.047 -0.530 -2.270
96 HG23 THR 13 HG23 THR 13 15.941 -1.767 -1.671
97 HA PRO 14 HA PRO 14 13.245 2.445 3.189
98 HB2 PRO 14 HB2 PRO 14 15.077 4.541 3.207
99 HB3 PRO 14 HB1 PRO 14 15.054 3.212 4.378
100 HG2 PRO 14 HG2 PRO 14 16.745 3.578 1.971
101 HG3 PRO 14 HG1 PRO 14 17.160 2.909 3.568
102 HD2 PRO 14 HD2 PRO 14 16.749 1.300 1.466
103 HD3 PRO 14 HD1 PRO 14 16.232 0.836 3.099
104 H GLU 15 HN GLU 15 14.910 3.258 0.236
105 HA GLU 15 HA GLU 15 13.449 5.570 -0.449
106 HB2 GLU 15 HB2 GLU 15 15.582 5.019 -1.477
107 HB3 GLU 15 HB1 GLU 15 14.900 3.552 -2.162
108 HG2 GLU 15 HG2 GLU 15 13.400 4.894 -3.553
109 HG3 GLU 15 HG1 GLU 15 14.081 6.364 -2.854
110 H LYS 16 HN LYS 16 13.056 2.143 -1.244
111 HA LYS 16 HA LYS 16 10.752 2.586 -2.885
112 HB2 LYS 16 HB2 LYS 16 12.357 0.709 -3.224
113 HB3 LYS 16 HB1 LYS 16 11.804 0.008 -1.710
114 HG2 LYS 16 HG2 LYS 16 9.578 -0.283 -2.627
115 HG3 LYS 16 HG1 LYS 16 10.080 0.488 -4.132
116 HD2 LYS 16 HD2 LYS 16 11.246 -2.057 -3.005
117 HD3 LYS 16 HD1 LYS 16 10.044 -1.974 -4.293
118 HE2 LYS 16 HE2 LYS 16 12.820 -0.792 -4.397
119 HE3 LYS 16 HE1 LYS 16 12.319 -2.296 -5.164
120 HZ1 LYS 16 HZ1 LYS 16 10.784 -1.067 -6.537
121 HZ2 LYS 16 HZ2 LYS 16 12.340 -0.437 -6.717
122 HZ3 LYS 16 HZ3 LYS 16 11.202 0.385 -5.777
123 H LEU 17 HN LEU 17 11.368 1.690 0.441
124 HA LEU 17 HA LEU 17 8.809 0.858 1.164
125 HB2 LEU 17 HB2 LEU 17 10.984 2.188 2.743
126 HB3 LEU 17 HB1 LEU 17 9.490 1.652 3.476
127 HG LEU 17 HG LEU 17 11.475 -0.123 2.057
128 HD11 LEU 17 HD11 LEU 17 11.980 -0.978 4.277
129 HD12 LEU 17 HD12 LEU 17 10.863 0.186 4.990
130 HD13 LEU 17 HD13 LEU 17 12.321 0.748 4.173
131 HD21 LEU 17 HD21 LEU 17 10.109 -1.941 3.056
132 HD22 LEU 17 HD22 LEU 17 9.263 -1.010 1.822
133 HD23 LEU 17 HD23 LEU 17 8.918 -0.729 3.529
134 H ALA 18 HN ALA 18 10.135 4.072 0.760
135 HA ALA 18 HA ALA 18 8.055 5.522 1.961
136 HB1 ALA 18 HB1 ALA 18 9.794 6.301 -0.370
137 HB2 ALA 18 HB2 ALA 18 10.194 6.518 1.334
138 HB3 ALA 18 HB3 ALA 18 8.841 7.400 0.626
139 H LYS 19 HN LYS 19 8.547 4.385 -1.344
140 HA LYS 19 HA LYS 19 6.135 5.370 -2.425
141 HB2 LYS 19 HB2 LYS 19 8.078 4.578 -3.765
142 HB3 LYS 19 HB1 LYS 19 7.722 2.933 -3.265
143 HG2 LYS 19 HG2 LYS 19 5.473 3.193 -4.342
144 HG3 LYS 19 HG1 LYS 19 6.045 4.726 -5.000
145 HD2 LYS 19 HD2 LYS 19 7.268 2.010 -5.488
146 HD3 LYS 19 HD1 LYS 19 6.291 2.928 -6.632
147 HE2 LYS 19 HE2 LYS 19 8.948 3.795 -5.499
148 HE3 LYS 19 HE1 LYS 19 8.695 3.109 -7.101
149 HZ1 LYS 19 HZ1 LYS 19 8.843 5.524 -7.154
150 HZ2 LYS 19 HZ2 LYS 19 7.511 5.647 -6.122
151 HZ3 LYS 19 HZ3 LYS 19 7.322 4.997 -7.670
152 H TYR 20 HN TYR 20 7.038 2.378 -0.837
153 HA TYR 20 HA TYR 20 4.620 0.988 -1.168
154 HB2 TYR 20 HB2 TYR 20 6.731 -0.069 -0.438
155 HB3 TYR 20 HB1 TYR 20 6.617 0.791 1.095
156 HD1 TYR 20 HD1 TYR 20 4.932 -1.736 -1.015
157 HD2 TYR 20 HD2 TYR 20 5.358 -0.106 2.888
158 HE1 TYR 20 HE1 TYR 20 3.612 -3.593 -0.104
159 HE2 TYR 20 HE2 TYR 20 4.036 -1.965 3.812
160 HH TYR 20 HH TYR 20 2.405 -3.613 3.094
161 H GLN 21 HN GLN 21 5.780 3.116 1.427
162 HA GLN 21 HA GLN 21 3.531 2.863 3.095
163 HB2 GLN 21 HB2 GLN 21 5.516 5.115 2.787
164 HB3 GLN 21 HB1 GLN 21 4.283 5.071 4.036
165 HG2 GLN 21 HG2 GLN 21 5.251 2.996 4.911
166 HG3 GLN 21 HG1 GLN 21 6.501 3.069 3.667
167 HE21 GLN 21 HE21 GLN 21 8.155 3.191 5.206
168 HE22 GLN 21 HE22 GLN 21 8.442 4.627 6.126
169 H ALA 22 HN ALA 22 4.226 5.018 0.403
170 HA ALA 22 HA ALA 22 1.972 6.680 0.702
171 HB1 ALA 22 HB1 ALA 22 3.529 5.991 -1.785
172 HB2 ALA 22 HB2 ALA 22 3.880 7.312 -0.671
173 HB3 ALA 22 HB3 ALA 22 2.395 7.333 -1.624
174 H ASP 23 HN ASP 23 2.524 3.724 -1.160
175 HA ASP 23 HA ASP 23 -0.085 3.700 -2.324
176 HB2 ASP 23 HB2 ASP 23 1.915 2.574 -3.324
177 HB3 ASP 23 HB1 ASP 23 1.855 1.394 -2.014
178 H LEU 24 HN LEU 24 1.402 2.222 0.491
179 HA LEU 24 HA LEU 24 -0.801 0.643 1.303
180 HB2 LEU 24 HB2 LEU 24 1.566 0.432 2.125
181 HB3 LEU 24 HB1 LEU 24 1.336 1.911 3.029
182 HG LEU 24 HG LEU 24 1.185 -0.318 4.283
183 HD11 LEU 24 HD11 LEU 24 0.565 1.775 5.299
184 HD12 LEU 24 HD12 LEU 24 -0.592 0.523 5.751
185 HD13 LEU 24 HD13 LEU 24 -1.017 1.717 4.523
186 HD21 LEU 24 HD21 LEU 24 -0.998 -1.387 4.301
187 HD22 LEU 24 HD22 LEU 24 -0.273 -1.469 2.696
188 HD23 LEU 24 HD23 LEU 24 -1.552 -0.304 3.027
189 H ALA 25 HN ALA 25 0.165 3.978 2.000
190 HA ALA 25 HA ALA 25 -1.928 4.619 3.759
191 HB1 ALA 25 HB1 ALA 25 -0.485 6.436 1.840
192 HB2 ALA 25 HB2 ALA 25 0.067 6.005 3.458
193 HB3 ALA 25 HB3 ALA 25 -1.417 6.937 3.253
194 H LYS 26 HN LYS 26 -1.671 4.840 0.233
195 HA LYS 26 HA LYS 26 -4.214 5.931 -0.262
196 HB2 LYS 26 HB2 LYS 26 -2.465 5.777 -2.000
197 HB3 LYS 26 HB1 LYS 26 -2.623 4.026 -1.993
198 HG2 LYS 26 HG2 LYS 26 -4.998 4.296 -2.680
199 HG3 LYS 26 HG1 LYS 26 -4.703 6.026 -2.842
200 HD2 LYS 26 HD2 LYS 26 -3.023 5.607 -4.541
201 HD3 LYS 26 HD1 LYS 26 -3.223 3.866 -4.337
202 HE2 LYS 26 HE2 LYS 26 -5.362 5.778 -5.274
203 HE3 LYS 26 HE1 LYS 26 -4.416 4.715 -6.314
204 HZ1 LYS 26 HZ1 LYS 26 -6.285 3.841 -4.165
205 HZ2 LYS 26 HZ2 LYS 26 -5.354 2.812 -5.138
206 HZ3 LYS 26 HZ3 LYS 26 -6.567 3.755 -5.833
207 H TYR 27 HN TYR 27 -3.080 2.637 0.168
208 HA TYR 27 HA TYR 27 -5.465 1.305 -0.453
209 HB2 TYR 27 HB2 TYR 27 -3.423 0.049 -0.260
210 HB3 TYR 27 HB1 TYR 27 -3.206 0.565 1.405
211 HD1 TYR 27 HD1 TYR 27 -5.490 -1.403 -0.782
212 HD2 TYR 27 HD2 TYR 27 -4.021 -0.748 3.158
213 HE1 TYR 27 HE1 TYR 27 -6.671 -3.412 -0.011
214 HE2 TYR 27 HE2 TYR 27 -5.197 -2.754 3.933
215 HH TYR 27 HH TYR 27 -6.689 -4.983 1.730
216 H GLN 28 HN GLN 28 -4.280 2.666 2.591
217 HA GLN 28 HA GLN 28 -6.395 1.855 4.237
218 HB2 GLN 28 HB2 GLN 28 -4.684 4.347 4.337
219 HB3 GLN 28 HB1 GLN 28 -5.811 3.889 5.604
220 HG2 GLN 28 HG2 GLN 28 -4.543 1.859 6.033
221 HG3 GLN 28 HG1 GLN 28 -3.433 2.259 4.716
222 HE21 GLN 28 HE21 GLN 28 -1.670 2.318 6.137
223 HE22 GLN 28 HE22 GLN 28 -1.420 3.637 7.222
224 H LYS 29 HN LYS 29 -5.988 4.716 2.212
225 HA LYS 29 HA LYS 29 -8.366 6.024 2.927
226 HB2 LYS 29 HB2 LYS 29 -6.482 7.108 1.751
227 HB3 LYS 29 HB1 LYS 29 -6.846 6.162 0.314
228 HG2 LYS 29 HG2 LYS 29 -9.027 7.257 0.153
229 HG3 LYS 29 HG1 LYS 29 -8.652 8.210 1.587
230 HD2 LYS 29 HD2 LYS 29 -6.763 9.229 0.436
231 HD3 LYS 29 HD1 LYS 29 -7.084 8.244 -0.991
232 HE2 LYS 29 HE2 LYS 29 -9.275 9.315 -1.229
233 HE3 LYS 29 HE1 LYS 29 -8.941 10.305 0.192
234 HZ1 LYS 29 HZ1 LYS 29 -7.072 11.286 -0.985
235 HZ2 LYS 29 HZ2 LYS 29 -8.507 11.518 -1.843
236 HZ3 LYS 29 HZ3 LYS 29 -7.402 10.344 -2.347
237 H ASP 30 HN ASP 30 -7.627 3.901 0.168
238 HA ASP 30 HA ASP 30 -10.268 3.849 -0.843
239 HB2 ASP 30 HB2 ASP 30 -7.918 1.998 -1.217
240 HB3 ASP 30 HB1 ASP 30 -9.479 1.707 -1.987
241 H LEU 31 HN LEU 31 -8.594 1.930 1.544
242 HA LEU 31 HA LEU 31 -10.476 -0.145 1.843
243 HB2 LEU 31 HB2 LEU 31 -8.116 -0.065 2.750
244 HB3 LEU 31 HB1 LEU 31 -8.701 1.023 3.990
245 HG LEU 31 HG LEU 31 -10.194 -0.754 4.826
246 HD11 LEU 31 HD11 LEU 31 -8.823 -2.424 2.724
247 HD12 LEU 31 HD12 LEU 31 -10.545 -2.051 2.829
248 HD13 LEU 31 HD13 LEU 31 -9.788 -3.072 4.050
249 HD21 LEU 31 HD21 LEU 31 -8.412 -2.137 5.794
250 HD22 LEU 31 HD22 LEU 31 -8.008 -0.421 5.816
251 HD23 LEU 31 HD23 LEU 31 -7.277 -1.482 4.611
252 H ALA 32 HN ALA 32 -10.085 2.941 3.531
253 HA ALA 32 HA ALA 32 -12.334 2.730 5.202
254 HB1 ALA 32 HB1 ALA 32 -12.132 5.128 5.476
255 HB2 ALA 32 HB2 ALA 32 -11.088 5.219 4.057
256 HB3 ALA 32 HB3 ALA 32 -10.534 4.378 5.507
257 H ASP 33 HN ASP 33 -11.881 4.013 1.965
258 HA ASP 33 HA ASP 33 -14.471 5.043 1.581
259 HB2 ASP 33 HB2 ASP 33 -12.559 5.650 0.160
260 HB3 ASP 33 HB1 ASP 33 -12.498 4.008 -0.466
261 H TYR 34 HN TYR 34 -13.176 1.835 1.365
262 HA TYR 34 HA TYR 34 -15.475 0.781 -0.043
263 HB2 TYR 34 HB2 TYR 34 -13.224 -0.158 -0.432
264 HB3 TYR 34 HB1 TYR 34 -13.151 -0.660 1.251
265 HD1 TYR 34 HD1 TYR 34 -15.525 -1.007 -1.622
266 HD2 TYR 34 HD2 TYR 34 -13.542 -2.891 1.633
267 HE1 TYR 34 HE1 TYR 34 -16.566 -3.143 -2.229
268 HE2 TYR 34 HE2 TYR 34 -14.575 -5.031 1.031
269 HH TYR 34 HH TYR 34 -16.420 -5.917 -0.178
270 HN1 NH2 35 HN1 NH2 35 -14.237 0.927 3.217
271 HN2 NH2 35 HN2 NH2 35 -15.612 0.218 3.988
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 -15.058 -2.810 -2.297
2 H2 ACE 0 HA2 ACE 0 -14.916 -2.372 -3.998
3 H3 ACE 0 HA3 ACE 0 -13.557 -2.059 -2.922
4 HA PRO 1 HA PRO 1 -12.494 -3.522 -0.950
5 HB2 PRO 1 HB2 PRO 1 -10.871 -5.815 -0.724
6 HB3 PRO 1 HB1 PRO 1 -12.231 -5.395 0.327
7 HG2 PRO 1 HG2 PRO 1 -12.129 -7.262 -1.963
8 HG3 PRO 1 HG1 PRO 1 -13.067 -7.360 -0.459
9 HD2 PRO 1 HD2 PRO 1 -14.238 -6.680 -2.772
10 HD3 PRO 1 HD1 PRO 1 -14.718 -5.917 -1.239
11 HA PRO 2 HA PRO 2 -9.336 -2.230 -3.795
12 HB2 PRO 2 HB2 PRO 2 -7.569 -1.225 -1.925
13 HB3 PRO 2 HB1 PRO 2 -8.986 -0.346 -2.539
14 HG2 PRO 2 HG2 PRO 2 -8.654 -1.853 0.004
15 HG3 PRO 2 HG1 PRO 2 -9.503 -0.326 -0.308
16 HD2 PRO 2 HD2 PRO 2 -10.830 -2.652 -0.018
17 HD3 PRO 2 HD1 PRO 2 -11.389 -1.381 -1.123
18 H THR 3 HN THR 3 -7.328 -2.884 -4.539
19 HA THR 3 HA THR 3 -6.442 -5.459 -3.628
20 HB THR 3 HB THR 3 -5.173 -3.669 -5.703
21 HG1 THR 3 HG1 THR 3 -7.577 -4.660 -5.766
22 HG21 THR 3 HG21 THR 3 -3.778 -5.543 -4.944
23 HG22 THR 3 HG22 THR 3 -4.299 -5.759 -6.615
24 HG23 THR 3 HG23 THR 3 -5.087 -6.662 -5.322
25 H LYS 4 HN LYS 4 -4.779 -5.905 -2.318
26 HA LYS 4 HA LYS 4 -3.417 -3.820 -0.939
27 HB2 LYS 4 HB2 LYS 4 -2.808 -6.783 -1.041
28 HB3 LYS 4 HB1 LYS 4 -2.164 -5.642 0.137
29 HG2 LYS 4 HG2 LYS 4 -4.396 -5.265 1.017
30 HG3 LYS 4 HG1 LYS 4 -5.071 -6.352 -0.198
31 HD2 LYS 4 HD2 LYS 4 -3.635 -8.168 0.743
32 HD3 LYS 4 HD1 LYS 4 -3.175 -7.057 2.036
33 HE2 LYS 4 HE2 LYS 4 -5.989 -7.950 1.411
34 HE3 LYS 4 HE1 LYS 4 -4.981 -8.586 2.710
35 HZ1 LYS 4 HZ1 LYS 4 -4.924 -6.356 3.678
36 HZ2 LYS 4 HZ2 LYS 4 -6.505 -6.936 3.549
37 HZ3 LYS 4 HZ3 LYS 4 -5.937 -5.784 2.446
38 HA PRO 5 HA PRO 5 -0.171 -3.003 -3.841
39 HB2 PRO 5 HB2 PRO 5 1.800 -2.324 -2.008
40 HB3 PRO 5 HB1 PRO 5 0.565 -1.214 -2.634
41 HG2 PRO 5 HG2 PRO 5 0.646 -2.692 -0.057
42 HG3 PRO 5 HG1 PRO 5 0.054 -1.052 -0.415
43 HD2 PRO 5 HD2 PRO 5 -1.638 -3.112 -0.041
44 HD3 PRO 5 HD1 PRO 5 -1.984 -1.813 -1.211
45 H THR 6 HN THR 6 1.016 -4.433 -4.869
46 HA THR 6 HA THR 6 1.979 -6.816 -3.599
47 HB THR 6 HB THR 6 2.544 -5.866 -6.406
48 HG1 THR 6 HG1 THR 6 0.372 -7.518 -5.608
49 HG21 THR 6 HG21 THR 6 3.843 -7.812 -5.689
50 HG22 THR 6 HG22 THR 6 2.653 -8.268 -6.908
51 HG23 THR 6 HG23 THR 6 2.359 -8.631 -5.208
52 H LYS 7 HN LYS 7 3.125 -3.772 -3.641
53 HA LYS 7 HA LYS 7 5.871 -4.100 -4.258
54 HB2 LYS 7 HB2 LYS 7 4.691 -1.991 -2.456
55 HB3 LYS 7 HB1 LYS 7 6.149 -1.880 -3.428
56 HG2 LYS 7 HG2 LYS 7 4.766 -1.986 -5.467
57 HG3 LYS 7 HG1 LYS 7 3.320 -2.009 -4.452
58 HD2 LYS 7 HD2 LYS 7 4.111 0.172 -3.468
59 HD3 LYS 7 HD1 LYS 7 5.355 0.203 -4.719
60 HE2 LYS 7 HE2 LYS 7 2.367 0.230 -5.103
61 HE3 LYS 7 HE1 LYS 7 3.502 1.531 -5.459
62 HZ1 LYS 7 HZ1 LYS 7 4.503 0.108 -7.161
63 HZ2 LYS 7 HZ2 LYS 7 2.869 0.402 -7.471
64 HZ3 LYS 7 HZ3 LYS 7 3.351 -1.094 -6.844
65 HA PRO 8 HA PRO 8 7.476 -5.990 -0.618
66 HB2 PRO 8 HB2 PRO 8 9.852 -4.635 -0.348
67 HB3 PRO 8 HB1 PRO 8 9.584 -5.942 -1.515
68 HG2 PRO 8 HG2 PRO 8 9.530 -2.999 -1.932
69 HG3 PRO 8 HG1 PRO 8 10.207 -4.274 -2.967
70 HD2 PRO 8 HD2 PRO 8 7.828 -3.126 -3.509
71 HD3 PRO 8 HD1 PRO 8 8.138 -4.845 -3.842
72 H GLY 9 HN GLY 9 7.318 -5.734 1.531
73 HA2 GLY 9 HA2 GLY 9 7.523 -3.073 2.709
74 HA3 GLY 9 HA1 GLY 9 5.969 -3.883 2.845
75 H ASP 10 HN ASP 10 8.722 -5.887 2.841
76 HA ASP 10 HA ASP 10 8.496 -6.217 5.759
77 HB2 ASP 10 HB2 ASP 10 9.146 -8.298 3.660
78 HB3 ASP 10 HB1 ASP 10 9.224 -8.578 5.395
79 H ASN 11 HN ASN 11 10.665 -6.475 3.001
80 HA ASN 11 HA ASN 11 12.812 -5.275 4.542
81 HB2 ASN 11 HB2 ASN 11 13.210 -7.650 4.923
82 HB3 ASN 11 HB1 ASN 11 13.090 -7.976 3.200
83 HD21 ASN 11 HD21 ASN 11 15.062 -6.644 5.735
84 HD22 ASN 11 HD22 ASN 11 16.527 -6.562 4.820
85 H ALA 12 HN ALA 12 13.237 -3.577 3.270
86 HA ALA 12 HA ALA 12 13.938 -3.923 0.507
87 HB1 ALA 12 HB1 ALA 12 12.196 -2.491 -0.411
88 HB2 ALA 12 HB2 ALA 12 11.453 -2.350 1.182
89 HB3 ALA 12 HB3 ALA 12 11.490 -3.910 0.361
90 H THR 13 HN THR 13 14.296 -1.676 -0.505
91 HA THR 13 HA THR 13 16.003 -0.175 1.210
92 HB THR 13 HB THR 13 16.207 1.351 -0.745
93 HG1 THR 13 HG1 THR 13 15.129 0.629 -2.698
94 HG21 THR 13 HG21 THR 13 17.660 -0.588 -0.547
95 HG22 THR 13 HG22 THR 13 17.252 -0.302 -2.238
96 HG23 THR 13 HG23 THR 13 16.452 -1.595 -1.344
97 HA PRO 14 HA PRO 14 13.270 2.699 3.074
98 HB2 PRO 14 HB2 PRO 14 14.735 5.044 2.770
99 HB3 PRO 14 HB1 PRO 14 14.980 3.856 4.062
100 HG2 PRO 14 HG2 PRO 14 16.482 4.239 1.540
101 HG3 PRO 14 HG1 PRO 14 17.066 3.791 3.162
102 HD2 PRO 14 HD2 PRO 14 16.809 1.951 1.220
103 HD3 PRO 14 HD1 PRO 14 16.468 1.565 2.917
104 H GLU 15 HN GLU 15 14.673 3.654 -0.026
105 HA GLU 15 HA GLU 15 12.770 5.617 -0.699
106 HB2 GLU 15 HB2 GLU 15 14.897 5.422 -1.878
107 HB3 GLU 15 HB1 GLU 15 14.442 3.832 -2.476
108 HG2 GLU 15 HG2 GLU 15 12.532 4.913 -3.676
109 HG3 GLU 15 HG1 GLU 15 13.196 6.474 -3.193
110 H LYS 16 HN LYS 16 12.913 2.139 -1.211
111 HA LYS 16 HA LYS 16 10.564 2.053 -2.839
112 HB2 LYS 16 HB2 LYS 16 12.479 0.396 -2.926
113 HB3 LYS 16 HB1 LYS 16 11.884 -0.251 -1.402
114 HG2 LYS 16 HG2 LYS 16 11.083 -1.619 -3.189
115 HG3 LYS 16 HG1 LYS 16 9.718 -0.728 -2.508
116 HD2 LYS 16 HD2 LYS 16 9.928 0.923 -4.327
117 HD3 LYS 16 HD1 LYS 16 11.238 -0.034 -5.021
118 HE2 LYS 16 HE2 LYS 16 9.668 -1.938 -5.217
119 HE3 LYS 16 HE1 LYS 16 8.376 -0.890 -4.639
120 HZ1 LYS 16 HZ1 LYS 16 8.749 0.549 -6.552
121 HZ2 LYS 16 HZ2 LYS 16 8.363 -1.026 -7.035
122 HZ3 LYS 16 HZ3 LYS 16 9.965 -0.487 -7.112
123 H LEU 17 HN LEU 17 11.350 1.366 0.527
124 HA LEU 17 HA LEU 17 8.829 0.445 1.319
125 HB2 LEU 17 HB2 LEU 17 11.022 1.828 2.834
126 HB3 LEU 17 HB1 LEU 17 9.567 1.244 3.610
127 HG LEU 17 HG LEU 17 11.545 -0.472 2.110
128 HD11 LEU 17 HD11 LEU 17 11.068 -0.144 5.064
129 HD12 LEU 17 HD12 LEU 17 12.489 0.396 4.171
130 HD13 LEU 17 HD13 LEU 17 12.143 -1.327 4.323
131 HD21 LEU 17 HD21 LEU 17 9.100 -1.170 3.729
132 HD22 LEU 17 HD22 LEU 17 10.280 -2.333 3.124
133 HD23 LEU 17 HD23 LEU 17 9.314 -1.388 1.992
134 H ALA 18 HN ALA 18 10.154 3.708 1.097
135 HA ALA 18 HA ALA 18 7.973 5.058 2.233
136 HB1 ALA 18 HB1 ALA 18 10.132 6.122 1.835
137 HB2 ALA 18 HB2 ALA 18 8.822 7.033 1.085
138 HB3 ALA 18 HB3 ALA 18 9.866 6.013 0.096
139 H LYS 19 HN LYS 19 8.669 4.032 -1.069
140 HA LYS 19 HA LYS 19 6.369 5.120 -2.277
141 HB2 LYS 19 HB2 LYS 19 8.298 4.323 -3.571
142 HB3 LYS 19 HB1 LYS 19 7.979 2.676 -3.050
143 HG2 LYS 19 HG2 LYS 19 7.203 3.028 -5.316
144 HG3 LYS 19 HG1 LYS 19 5.843 2.712 -4.238
145 HD2 LYS 19 HD2 LYS 19 5.403 5.129 -4.120
146 HD3 LYS 19 HD1 LYS 19 6.740 5.418 -5.235
147 HE2 LYS 19 HE2 LYS 19 5.602 4.111 -6.948
148 HE3 LYS 19 HE1 LYS 19 4.277 3.782 -5.832
149 HZ1 LYS 19 HZ1 LYS 19 5.066 6.437 -6.893
150 HZ2 LYS 19 HZ2 LYS 19 3.858 6.187 -5.743
151 HZ3 LYS 19 HZ3 LYS 19 3.678 5.564 -7.303
152 H TYR 20 HN TYR 20 7.021 2.024 -0.728
153 HA TYR 20 HA TYR 20 4.511 0.839 -1.168
154 HB2 TYR 20 HB2 TYR 20 6.333 -0.531 -0.407
155 HB3 TYR 20 HB1 TYR 20 6.550 0.458 1.034
156 HD1 TYR 20 HD1 TYR 20 4.237 -1.923 -0.617
157 HD2 TYR 20 HD2 TYR 20 5.345 -0.014 3.018
158 HE1 TYR 20 HE1 TYR 20 2.759 -3.440 0.622
159 HE2 TYR 20 HE2 TYR 20 3.863 -1.528 4.269
160 HH TYR 20 HH TYR 20 2.555 -4.339 2.924
161 H GLN 21 HN GLN 21 5.735 2.839 1.498
162 HA GLN 21 HA GLN 21 3.412 2.759 3.081
163 HB2 GLN 21 HB2 GLN 21 5.580 4.849 2.857
164 HB3 GLN 21 HB1 GLN 21 4.313 4.891 4.072
165 HG2 GLN 21 HG2 GLN 21 5.091 2.841 5.043
166 HG3 GLN 21 HG1 GLN 21 6.255 2.619 3.737
167 HE21 GLN 21 HE21 GLN 21 7.966 2.526 5.206
168 HE22 GLN 21 HE22 GLN 21 8.570 3.941 5.990
169 H ALA 22 HN ALA 22 4.396 4.903 0.468
170 HA ALA 22 HA ALA 22 2.279 6.737 0.672
171 HB1 ALA 22 HB1 ALA 22 4.306 7.163 -0.632
172 HB2 ALA 22 HB2 ALA 22 2.856 7.371 -1.614
173 HB3 ALA 22 HB3 ALA 22 3.832 5.911 -1.779
174 H ASP 23 HN ASP 23 2.641 3.768 -1.223
175 HA ASP 23 HA ASP 23 0.070 4.018 -2.457
176 HB2 ASP 23 HB2 ASP 23 2.077 2.753 -3.394
177 HB3 ASP 23 HB1 ASP 23 1.702 1.482 -2.228
178 H LEU 24 HN LEU 24 1.361 2.371 0.352
179 HA LEU 24 HA LEU 24 -0.918 0.852 1.019
180 HB2 LEU 24 HB2 LEU 24 1.458 0.636 1.917
181 HB3 LEU 24 HB1 LEU 24 1.101 2.009 2.940
182 HG LEU 24 HG LEU 24 0.942 -0.326 3.968
183 HD11 LEU 24 HD11 LEU 24 -0.960 0.300 5.358
184 HD12 LEU 24 HD12 LEU 24 -1.400 1.548 4.191
185 HD13 LEU 24 HD13 LEU 24 0.118 1.667 5.078
186 HD21 LEU 24 HD21 LEU 24 -1.161 -1.492 3.673
187 HD22 LEU 24 HD22 LEU 24 -0.314 -1.354 2.132
188 HD23 LEU 24 HD23 LEU 24 -1.678 -0.296 2.488
189 H ALA 25 HN ALA 25 0.103 4.139 1.845
190 HA ALA 25 HA ALA 25 -2.022 4.804 3.549
191 HB1 ALA 25 HB1 ALA 25 -1.468 7.118 3.055
192 HB2 ALA 25 HB2 ALA 25 -0.521 6.606 1.657
193 HB3 ALA 25 HB3 ALA 25 0.000 6.168 3.284
194 H LYS 26 HN LYS 26 -1.688 4.941 0.052
195 HA LYS 26 HA LYS 26 -4.201 6.089 -0.531
196 HB2 LYS 26 HB2 LYS 26 -2.268 5.879 -2.118
197 HB3 LYS 26 HB1 LYS 26 -2.606 4.160 -2.229
198 HG2 LYS 26 HG2 LYS 26 -4.833 4.674 -3.131
199 HG3 LYS 26 HG1 LYS 26 -4.438 6.393 -3.069
200 HD2 LYS 26 HD2 LYS 26 -2.500 5.936 -4.565
201 HD3 LYS 26 HD1 LYS 26 -3.061 4.270 -4.712
202 HE2 LYS 26 HE2 LYS 26 -3.792 5.613 -6.611
203 HE3 LYS 26 HE1 LYS 26 -5.168 5.057 -5.659
204 HZ1 LYS 26 HZ1 LYS 26 -3.950 7.759 -5.468
205 HZ2 LYS 26 HZ2 LYS 26 -5.320 7.223 -4.638
206 HZ3 LYS 26 HZ3 LYS 26 -5.363 7.391 -6.317
207 H TYR 27 HN TYR 27 -3.087 2.783 -0.110
208 HA TYR 27 HA TYR 27 -5.452 1.434 -0.792
209 HB2 TYR 27 HB2 TYR 27 -3.367 0.223 -0.569
210 HB3 TYR 27 HB1 TYR 27 -3.222 0.702 1.113
211 HD1 TYR 27 HD1 TYR 27 -5.209 -1.368 -1.228
212 HD2 TYR 27 HD2 TYR 27 -4.205 -0.588 2.831
213 HE1 TYR 27 HE1 TYR 27 -6.350 -3.433 -0.551
214 HE2 TYR 27 HE2 TYR 27 -5.345 -2.652 3.516
215 HH TYR 27 HH TYR 27 -7.189 -4.117 2.618
216 H GLN 28 HN GLN 28 -4.299 2.697 2.316
217 HA GLN 28 HA GLN 28 -6.410 1.758 3.895
218 HB2 GLN 28 HB2 GLN 28 -4.621 4.165 4.213
219 HB3 GLN 28 HB1 GLN 28 -5.819 3.709 5.413
220 HG2 GLN 28 HG2 GLN 28 -4.675 1.482 5.583
221 HG3 GLN 28 HG1 GLN 28 -3.397 2.140 4.555
222 HE21 GLN 28 HE21 GLN 28 -1.847 1.955 6.174
223 HE22 GLN 28 HE22 GLN 28 -1.821 2.995 7.553
224 H LYS 29 HN LYS 29 -6.109 4.630 1.902
225 HA LYS 29 HA LYS 29 -8.339 6.020 2.857
226 HB2 LYS 29 HB2 LYS 29 -6.771 7.193 1.496
227 HB3 LYS 29 HB1 LYS 29 -6.955 6.049 0.174
228 HG2 LYS 29 HG2 LYS 29 -9.396 7.492 1.004
229 HG3 LYS 29 HG1 LYS 29 -8.135 8.453 0.227
230 HD2 LYS 29 HD2 LYS 29 -8.209 7.152 -1.737
231 HD3 LYS 29 HD1 LYS 29 -9.114 5.862 -0.943
232 HE2 LYS 29 HE2 LYS 29 -11.054 7.329 -0.755
233 HE3 LYS 29 HE1 LYS 29 -10.148 8.637 -1.516
234 HZ1 LYS 29 HZ1 LYS 29 -10.065 7.455 -3.544
235 HZ2 LYS 29 HZ2 LYS 29 -11.669 7.366 -3.017
236 HZ3 LYS 29 HZ3 LYS 29 -10.645 6.027 -2.841
237 H ASP 30 HN ASP 30 -8.077 3.969 -0.042
238 HA ASP 30 HA ASP 30 -10.851 4.016 -0.575
239 HB2 ASP 30 HB2 ASP 30 -8.704 2.095 -1.490
240 HB3 ASP 30 HB1 ASP 30 -10.362 2.090 -2.097
241 H LEU 31 HN LEU 31 -8.835 2.001 1.404
242 HA LEU 31 HA LEU 31 -10.662 -0.105 1.856
243 HB2 LEU 31 HB2 LEU 31 -8.239 -0.190 2.395
244 HB3 LEU 31 HB1 LEU 31 -8.511 0.955 3.694
245 HG LEU 31 HG LEU 31 -9.953 -0.691 4.831
246 HD11 LEU 31 HD11 LEU 31 -10.748 -1.964 2.937
247 HD12 LEU 31 HD12 LEU 31 -9.910 -3.034 4.058
248 HD13 LEU 31 HD13 LEU 31 -9.110 -2.510 2.577
249 HD21 LEU 31 HD21 LEU 31 -7.608 -0.520 5.404
250 HD22 LEU 31 HD22 LEU 31 -7.188 -1.643 4.111
251 HD23 LEU 31 HD23 LEU 31 -8.133 -2.201 5.492
252 H ALA 32 HN ALA 32 -9.950 2.825 3.738
253 HA ALA 32 HA ALA 32 -11.901 2.419 5.725
254 HB1 ALA 32 HB1 ALA 32 -10.055 3.981 5.999
255 HB2 ALA 32 HB2 ALA 32 -11.604 4.796 6.227
256 HB3 ALA 32 HB3 ALA 32 -10.715 4.996 4.717
257 H ASP 33 HN ASP 33 -11.972 3.944 2.592
258 HA ASP 33 HA ASP 33 -14.522 5.144 2.804
259 HB2 ASP 33 HB2 ASP 33 -12.871 5.833 1.124
260 HB3 ASP 33 HB1 ASP 33 -12.991 4.258 0.348
261 H TYR 34 HN TYR 34 -13.425 1.982 1.769
262 HA TYR 34 HA TYR 34 -16.023 1.138 0.858
263 HB2 TYR 34 HB2 TYR 34 -14.074 0.220 -0.227
264 HB3 TYR 34 HB1 TYR 34 -13.430 -0.346 1.308
265 HD1 TYR 34 HD1 TYR 34 -16.600 -0.708 -0.638
266 HD2 TYR 34 HD2 TYR 34 -13.566 -2.621 1.644
267 HE1 TYR 34 HE1 TYR 34 -17.707 -2.868 -0.989
268 HE2 TYR 34 HE2 TYR 34 -14.663 -4.789 1.294
269 HH TYR 34 HH TYR 34 -16.832 -5.695 0.747
270 HN1 NH2 35 HN1 NH2 35 -14.010 0.628 3.697
271 HN2 NH2 35 HN2 NH2 35 -15.236 -0.110 4.668
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 -14.240 -0.151 -4.076
2 H2 ACE 0 HA2 ACE 0 -13.519 1.047 -5.151
3 H3 ACE 0 HA3 ACE 0 -12.584 0.461 -3.778
4 HA PRO 1 HA PRO 1 -12.713 -2.218 -2.854
5 HB2 PRO 1 HB2 PRO 1 -12.000 -4.795 -4.154
6 HB3 PRO 1 HB1 PRO 1 -13.021 -4.492 -2.737
7 HG2 PRO 1 HG2 PRO 1 -14.070 -5.200 -5.072
8 HG3 PRO 1 HG1 PRO 1 -14.883 -4.057 -3.985
9 HD2 PRO 1 HD2 PRO 1 -13.405 -3.518 -6.514
10 HD3 PRO 1 HD1 PRO 1 -14.819 -2.689 -5.833
11 HA PRO 2 HA PRO 2 -8.421 -1.235 -3.708
12 HB2 PRO 2 HB2 PRO 2 -7.611 -1.077 -1.106
13 HB3 PRO 2 HB1 PRO 2 -8.515 0.217 -1.921
14 HG2 PRO 2 HG2 PRO 2 -9.510 -1.911 -0.087
15 HG3 PRO 2 HG1 PRO 2 -9.908 -0.180 -0.125
16 HD2 PRO 2 HD2 PRO 2 -11.555 -2.022 -1.188
17 HD3 PRO 2 HD1 PRO 2 -11.362 -0.414 -1.915
18 H THR 3 HN THR 3 -6.763 -2.549 -4.127
19 HA THR 3 HA THR 3 -6.672 -5.168 -2.812
20 HB THR 3 HB THR 3 -5.184 -4.258 -5.279
21 HG1 THR 3 HG1 THR 3 -7.753 -5.406 -4.925
22 HG21 THR 3 HG21 THR 3 -4.211 -6.199 -4.153
23 HG22 THR 3 HG22 THR 3 -4.935 -6.658 -5.694
24 HG23 THR 3 HG23 THR 3 -5.778 -7.007 -4.186
25 H LYS 4 HN LYS 4 -4.901 -5.826 -1.665
26 HA LYS 4 HA LYS 4 -3.301 -3.883 -0.434
27 HB2 LYS 4 HB2 LYS 4 -2.919 -6.876 -0.642
28 HB3 LYS 4 HB1 LYS 4 -1.977 -5.829 0.417
29 HG2 LYS 4 HG2 LYS 4 -3.963 -5.235 1.656
30 HG3 LYS 4 HG1 LYS 4 -4.966 -6.170 0.547
31 HD2 LYS 4 HD2 LYS 4 -4.586 -7.441 2.565
32 HD3 LYS 4 HD1 LYS 4 -3.748 -8.212 1.217
33 HE2 LYS 4 HE2 LYS 4 -1.661 -7.066 1.948
34 HE3 LYS 4 HE1 LYS 4 -2.532 -6.472 3.360
35 HZ1 LYS 4 HZ1 LYS 4 -2.956 -8.796 3.977
36 HZ2 LYS 4 HZ2 LYS 4 -1.307 -8.439 3.925
37 HZ3 LYS 4 HZ3 LYS 4 -2.021 -9.312 2.669
38 HA PRO 5 HA PRO 5 -0.274 -2.949 -3.506
39 HB2 PRO 5 HB2 PRO 5 1.823 -2.442 -1.728
40 HB3 PRO 5 HB1 PRO 5 0.627 -1.258 -2.292
41 HG2 PRO 5 HG2 PRO 5 0.721 -2.783 0.250
42 HG3 PRO 5 HG1 PRO 5 0.153 -1.128 -0.070
43 HD2 PRO 5 HD2 PRO 5 -1.572 -3.150 0.329
44 HD3 PRO 5 HD1 PRO 5 -1.919 -1.839 -0.827
45 H THR 6 HN THR 6 0.940 -4.196 -4.694
46 HA THR 6 HA THR 6 1.957 -6.701 -3.716
47 HB THR 6 HB THR 6 2.389 -5.432 -6.419
48 HG1 THR 6 HG1 THR 6 0.095 -5.941 -5.421
49 HG21 THR 6 HG21 THR 6 2.622 -7.743 -7.191
50 HG22 THR 6 HG22 THR 6 2.392 -8.320 -5.541
51 HG23 THR 6 HG23 THR 6 3.817 -7.367 -5.951
52 H LYS 7 HN LYS 7 3.095 -3.522 -4.029
53 HA LYS 7 HA LYS 7 5.818 -3.864 -4.543
54 HB2 LYS 7 HB2 LYS 7 4.676 -1.753 -2.715
55 HB3 LYS 7 HB1 LYS 7 6.123 -1.642 -3.700
56 HG2 LYS 7 HG2 LYS 7 4.731 -1.689 -5.727
57 HG3 LYS 7 HG1 LYS 7 3.288 -1.771 -4.710
58 HD2 LYS 7 HD2 LYS 7 4.039 0.392 -3.654
59 HD3 LYS 7 HD1 LYS 7 5.275 0.491 -4.909
60 HE2 LYS 7 HE2 LYS 7 2.287 0.408 -5.335
61 HE3 LYS 7 HE1 LYS 7 3.328 1.818 -5.514
62 HZ1 LYS 7 HZ1 LYS 7 4.460 0.712 -7.336
63 HZ2 LYS 7 HZ2 LYS 7 2.803 0.820 -7.646
64 HZ3 LYS 7 HZ3 LYS 7 3.476 -0.653 -7.158
65 HA PRO 8 HA PRO 8 7.387 -5.764 -0.873
66 HB2 PRO 8 HB2 PRO 8 9.912 -4.724 -0.848
67 HB3 PRO 8 HB1 PRO 8 9.399 -6.012 -1.955
68 HG2 PRO 8 HG2 PRO 8 9.681 -3.097 -2.454
69 HG3 PRO 8 HG1 PRO 8 10.123 -4.469 -3.492
70 HD2 PRO 8 HD2 PRO 8 7.859 -3.033 -3.882
71 HD3 PRO 8 HD1 PRO 8 7.961 -4.771 -4.243
72 H GLY 9 HN GLY 9 7.536 -5.346 1.270
73 HA2 GLY 9 HA2 GLY 9 7.967 -2.603 2.171
74 HA3 GLY 9 HA1 GLY 9 6.424 -3.345 2.558
75 H ASP 10 HN ASP 10 9.424 -5.122 2.441
76 HA ASP 10 HA ASP 10 9.286 -5.395 5.367
77 HB2 ASP 10 HB2 ASP 10 9.928 -7.515 3.317
78 HB3 ASP 10 HB1 ASP 10 10.197 -7.716 5.044
79 H ASN 11 HN ASN 11 11.628 -6.540 2.974
80 HA ASN 11 HA ASN 11 13.730 -5.323 4.621
81 HB2 ASN 11 HB2 ASN 11 15.258 -6.952 3.612
82 HB3 ASN 11 HB1 ASN 11 13.883 -7.757 4.356
83 HD21 ASN 11 HD21 ASN 11 12.360 -8.779 3.043
84 HD22 ASN 11 HD22 ASN 11 12.679 -9.144 1.385
85 H ALA 12 HN ALA 12 12.031 -4.317 2.200
86 HA ALA 12 HA ALA 12 13.888 -3.693 0.157
87 HB1 ALA 12 HB1 ALA 12 12.192 -2.215 -0.697
88 HB2 ALA 12 HB2 ALA 12 11.328 -2.262 0.841
89 HB3 ALA 12 HB3 ALA 12 11.440 -3.715 -0.151
90 H THR 13 HN THR 13 14.491 -1.447 -0.429
91 HA THR 13 HA THR 13 15.918 -0.193 1.676
92 HB THR 13 HB THR 13 16.378 1.560 -0.063
93 HG1 THR 13 HG1 THR 13 15.594 0.305 -2.229
94 HG21 THR 13 HG21 THR 13 16.834 -1.316 -0.841
95 HG22 THR 13 HG22 THR 13 17.855 -0.347 0.222
96 HG23 THR 13 HG23 THR 13 17.719 0.067 -1.488
97 HA PRO 14 HA PRO 14 13.083 2.704 3.397
98 HB2 PRO 14 HB2 PRO 14 14.643 5.012 3.337
99 HB3 PRO 14 HB1 PRO 14 14.701 3.778 4.606
100 HG2 PRO 14 HG2 PRO 14 16.486 4.176 2.277
101 HG3 PRO 14 HG1 PRO 14 16.873 3.667 3.940
102 HD2 PRO 14 HD2 PRO 14 16.784 1.882 1.948
103 HD3 PRO 14 HD1 PRO 14 16.207 1.472 3.575
104 H GLU 15 HN GLU 15 14.810 3.682 0.488
105 HA GLU 15 HA GLU 15 13.051 5.751 -0.288
106 HB2 GLU 15 HB2 GLU 15 15.315 5.544 -1.194
107 HB3 GLU 15 HB1 GLU 15 14.885 4.020 -1.958
108 HG2 GLU 15 HG2 GLU 15 13.234 5.209 -3.352
109 HG3 GLU 15 HG1 GLU 15 13.735 6.726 -2.610
110 H LYS 16 HN LYS 16 13.230 2.312 -1.077
111 HA LYS 16 HA LYS 16 11.032 2.400 -2.907
112 HB2 LYS 16 HB2 LYS 16 12.995 0.761 -2.924
113 HB3 LYS 16 HB1 LYS 16 12.190 -0.053 -1.589
114 HG2 LYS 16 HG2 LYS 16 10.278 -0.536 -2.988
115 HG3 LYS 16 HG1 LYS 16 10.995 0.376 -4.320
116 HD2 LYS 16 HD2 LYS 16 12.912 -1.204 -4.299
117 HD3 LYS 16 HD1 LYS 16 12.075 -2.148 -3.066
118 HE2 LYS 16 HE2 LYS 16 11.711 -3.158 -5.221
119 HE3 LYS 16 HE1 LYS 16 10.198 -2.472 -4.638
120 HZ1 LYS 16 HZ1 LYS 16 10.567 -0.554 -6.072
121 HZ2 LYS 16 HZ2 LYS 16 10.530 -1.987 -6.967
122 HZ3 LYS 16 HZ3 LYS 16 12.008 -1.237 -6.640
123 H LEU 17 HN LEU 17 11.499 1.554 0.474
124 HA LEU 17 HA LEU 17 8.964 0.510 1.021
125 HB2 LEU 17 HB2 LEU 17 10.896 2.025 2.755
126 HB3 LEU 17 HB1 LEU 17 9.416 1.329 3.373
127 HG LEU 17 HG LEU 17 11.728 -0.177 2.156
128 HD11 LEU 17 HD11 LEU 17 12.155 0.683 4.404
129 HD12 LEU 17 HD12 LEU 17 12.025 -1.074 4.392
130 HD13 LEU 17 HD13 LEU 17 10.682 -0.095 4.980
131 HD21 LEU 17 HD21 LEU 17 9.697 -1.298 1.572
132 HD22 LEU 17 HD22 LEU 17 9.076 -1.133 3.214
133 HD23 LEU 17 HD23 LEU 17 10.456 -2.182 2.895
134 H ALA 18 HN ALA 18 10.102 3.823 0.811
135 HA ALA 18 HA ALA 18 7.859 5.094 1.901
136 HB1 ALA 18 HB1 ALA 18 9.692 6.116 -0.257
137 HB2 ALA 18 HB2 ALA 18 10.001 6.216 1.476
138 HB3 ALA 18 HB3 ALA 18 8.640 7.089 0.771
139 H LYS 19 HN LYS 19 8.539 3.869 -1.309
140 HA LYS 19 HA LYS 19 6.223 4.955 -2.556
141 HB2 LYS 19 HB2 LYS 19 8.264 4.162 -3.766
142 HB3 LYS 19 HB1 LYS 19 7.811 2.513 -3.367
143 HG2 LYS 19 HG2 LYS 19 5.733 2.781 -4.631
144 HG3 LYS 19 HG1 LYS 19 6.200 4.433 -5.038
145 HD2 LYS 19 HD2 LYS 19 7.720 1.937 -5.791
146 HD3 LYS 19 HD1 LYS 19 6.679 2.868 -6.867
147 HE2 LYS 19 HE2 LYS 19 9.195 3.862 -5.529
148 HE3 LYS 19 HE1 LYS 19 9.032 3.408 -7.223
149 HZ1 LYS 19 HZ1 LYS 19 7.424 5.200 -7.500
150 HZ2 LYS 19 HZ2 LYS 19 8.908 5.791 -6.953
151 HZ3 LYS 19 HZ3 LYS 19 7.613 5.646 -5.880
152 H TYR 20 HN TYR 20 6.992 1.915 -0.956
153 HA TYR 20 HA TYR 20 4.538 0.610 -1.387
154 HB2 TYR 20 HB2 TYR 20 6.445 -0.626 -0.561
155 HB3 TYR 20 HB1 TYR 20 6.536 0.386 0.878
156 HD1 TYR 20 HD1 TYR 20 4.261 -2.012 -0.867
157 HD2 TYR 20 HD2 TYR 20 5.474 -0.292 2.827
158 HE1 TYR 20 HE1 TYR 20 2.822 -3.601 0.339
159 HE2 TYR 20 HE2 TYR 20 4.044 -1.875 4.041
160 HH TYR 20 HH TYR 20 1.999 -3.227 3.582
161 H GLN 21 HN GLN 21 5.666 2.692 1.245
162 HA GLN 21 HA GLN 21 3.318 2.569 2.790
163 HB2 GLN 21 HB2 GLN 21 5.454 4.695 2.633
164 HB3 GLN 21 HB1 GLN 21 4.191 4.651 3.855
165 HG2 GLN 21 HG2 GLN 21 5.015 2.513 4.660
166 HG3 GLN 21 HG1 GLN 21 6.253 2.507 3.406
167 HE21 GLN 21 HE21 GLN 21 7.904 2.396 4.924
168 HE22 GLN 21 HE22 GLN 21 8.356 3.759 5.890
169 H ALA 22 HN ALA 22 4.248 4.592 0.091
170 HA ALA 22 HA ALA 22 2.174 6.485 0.305
171 HB1 ALA 22 HB1 ALA 22 4.160 6.824 -1.085
172 HB2 ALA 22 HB2 ALA 22 2.677 7.021 -2.020
173 HB3 ALA 22 HB3 ALA 22 3.622 5.538 -2.164
174 H ASP 23 HN ASP 23 2.405 3.374 -1.356
175 HA ASP 23 HA ASP 23 -0.229 3.569 -2.489
176 HB2 ASP 23 HB2 ASP 23 1.686 2.183 -3.441
177 HB3 ASP 23 HB1 ASP 23 1.390 1.037 -2.132
178 H LEU 24 HN LEU 24 1.242 2.080 0.320
179 HA LEU 24 HA LEU 24 -0.979 0.639 1.263
180 HB2 LEU 24 HB2 LEU 24 1.458 0.506 2.007
181 HB3 LEU 24 HB1 LEU 24 1.154 1.948 2.947
182 HG LEU 24 HG LEU 24 1.105 -0.280 4.173
183 HD11 LEU 24 HD11 LEU 24 -0.749 0.400 5.612
184 HD12 LEU 24 HD12 LEU 24 -1.284 1.540 4.377
185 HD13 LEU 24 HD13 LEU 24 0.274 1.768 5.169
186 HD21 LEU 24 HD21 LEU 24 -0.215 -1.485 2.482
187 HD22 LEU 24 HD22 LEU 24 -1.601 -0.465 2.864
188 HD23 LEU 24 HD23 LEU 24 -0.944 -1.552 4.085
189 H ALA 25 HN ALA 25 0.107 3.962 1.827
190 HA ALA 25 HA ALA 25 -1.887 4.733 3.631
191 HB1 ALA 25 HB1 ALA 25 0.120 6.058 3.174
192 HB2 ALA 25 HB2 ALA 25 -1.350 7.014 2.983
193 HB3 ALA 25 HB3 ALA 25 -0.493 6.419 1.560
194 H LYS 26 HN LYS 26 -1.784 4.823 0.095
195 HA LYS 26 HA LYS 26 -4.343 5.944 -0.281
196 HB2 LYS 26 HB2 LYS 26 -2.614 5.785 -2.061
197 HB3 LYS 26 HB1 LYS 26 -2.868 4.048 -2.115
198 HG2 LYS 26 HG2 LYS 26 -5.213 4.428 -2.737
199 HG3 LYS 26 HG1 LYS 26 -4.905 6.164 -2.757
200 HD2 LYS 26 HD2 LYS 26 -3.282 5.877 -4.540
201 HD3 LYS 26 HD1 LYS 26 -3.511 4.125 -4.489
202 HE2 LYS 26 HE2 LYS 26 -5.605 6.181 -5.188
203 HE3 LYS 26 HE1 LYS 26 -4.780 5.109 -6.319
204 HZ1 LYS 26 HZ1 LYS 26 -6.970 4.279 -5.738
205 HZ2 LYS 26 HZ2 LYS 26 -6.560 4.234 -4.097
206 HZ3 LYS 26 HZ3 LYS 26 -5.772 3.216 -5.202
207 H TYR 27 HN TYR 27 -3.195 2.634 0.048
208 HA TYR 27 HA TYR 27 -5.589 1.290 -0.508
209 HB2 TYR 27 HB2 TYR 27 -3.524 0.044 -0.359
210 HB3 TYR 27 HB1 TYR 27 -3.280 0.560 1.302
211 HD1 TYR 27 HD1 TYR 27 -5.397 -1.552 -0.883
212 HD2 TYR 27 HD2 TYR 27 -4.232 -0.645 3.106
213 HE1 TYR 27 HE1 TYR 27 -6.537 -3.579 -0.095
214 HE2 TYR 27 HE2 TYR 27 -5.367 -2.672 3.900
215 HH TYR 27 HH TYR 27 -6.471 -5.114 1.790
216 H GLN 28 HN GLN 28 -4.310 2.616 2.508
217 HA GLN 28 HA GLN 28 -6.393 1.761 4.188
218 HB2 GLN 28 HB2 GLN 28 -4.585 4.179 4.394
219 HB3 GLN 28 HB1 GLN 28 -5.661 3.641 5.674
220 HG2 GLN 28 HG2 GLN 28 -4.449 1.526 5.819
221 HG3 GLN 28 HG1 GLN 28 -3.375 2.048 4.522
222 HE21 GLN 28 HE21 GLN 28 -3.330 4.818 5.529
223 HE22 GLN 28 HE22 GLN 28 -2.286 4.784 6.904
224 H LYS 29 HN LYS 29 -5.952 4.709 2.294
225 HA LYS 29 HA LYS 29 -8.254 6.056 3.165
226 HB2 LYS 29 HB2 LYS 29 -6.442 7.192 1.992
227 HB3 LYS 29 HB1 LYS 29 -6.769 6.258 0.539
228 HG2 LYS 29 HG2 LYS 29 -7.648 8.516 0.357
229 HG3 LYS 29 HG1 LYS 29 -8.944 7.321 0.328
230 HD2 LYS 29 HD2 LYS 29 -9.390 7.760 2.700
231 HD3 LYS 29 HD1 LYS 29 -8.106 8.972 2.709
232 HE2 LYS 29 HE2 LYS 29 -10.274 10.038 2.480
233 HE3 LYS 29 HE1 LYS 29 -9.320 10.259 1.015
234 HZ1 LYS 29 HZ1 LYS 29 -11.507 8.286 1.398
235 HZ2 LYS 29 HZ2 LYS 29 -10.562 8.427 0.004
236 HZ3 LYS 29 HZ3 LYS 29 -11.581 9.694 0.463
237 H ASP 30 HN ASP 30 -7.713 4.065 0.259
238 HA ASP 30 HA ASP 30 -10.381 4.151 -0.652
239 HB2 ASP 30 HB2 ASP 30 -8.074 2.303 -1.174
240 HB3 ASP 30 HB1 ASP 30 -9.678 1.911 -1.790
241 H LEU 31 HN LEU 31 -8.703 2.001 1.552
242 HA LEU 31 HA LEU 31 -10.691 0.019 1.781
243 HB2 LEU 31 HB2 LEU 31 -8.306 -0.154 2.544
244 HB3 LEU 31 HB1 LEU 31 -8.712 0.892 3.888
245 HG LEU 31 HG LEU 31 -10.326 -0.821 4.685
246 HD11 LEU 31 HD11 LEU 31 -10.099 -3.109 3.770
247 HD12 LEU 31 HD12 LEU 31 -9.124 -2.457 2.455
248 HD13 LEU 31 HD13 LEU 31 -10.812 -1.976 2.626
249 HD21 LEU 31 HD21 LEU 31 -8.602 -2.352 5.519
250 HD22 LEU 31 HD22 LEU 31 -8.091 -0.666 5.612
251 HD23 LEU 31 HD23 LEU 31 -7.467 -1.706 4.332
252 H ALA 32 HN ALA 32 -10.058 2.940 3.665
253 HA ALA 32 HA ALA 32 -12.132 2.621 5.534
254 HB1 ALA 32 HB1 ALA 32 -10.240 4.181 5.796
255 HB2 ALA 32 HB2 ALA 32 -11.803 4.958 6.041
256 HB3 ALA 32 HB3 ALA 32 -10.931 5.192 4.526
257 H ASP 33 HN ASP 33 -11.970 4.283 2.426
258 HA ASP 33 HA ASP 33 -14.595 5.330 2.485
259 HB2 ASP 33 HB2 ASP 33 -12.872 6.208 0.972
260 HB3 ASP 33 HB1 ASP 33 -12.840 4.675 0.105
261 H TYR 34 HN TYR 34 -13.237 2.300 1.389
262 HA TYR 34 HA TYR 34 -15.521 1.312 0.051
263 HB2 TYR 34 HB2 TYR 34 -13.226 0.403 -0.225
264 HB3 TYR 34 HB1 TYR 34 -13.310 -0.240 1.411
265 HD1 TYR 34 HD1 TYR 34 -14.809 -0.479 -1.960
266 HD2 TYR 34 HD2 TYR 34 -14.347 -2.316 1.846
267 HE1 TYR 34 HE1 TYR 34 -15.818 -2.534 -2.838
268 HE2 TYR 34 HE2 TYR 34 -15.357 -4.379 0.983
269 HH TYR 34 HH TYR 34 -16.877 -5.067 -0.827
270 HN1 NH2 35 HN1 NH2 35 -14.284 0.768 3.325
271 HN2 NH2 35 HN2 NH2 35 -15.780 0.212 3.994
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 -15.017 -2.242 -4.055
2 H2 ACE 0 HA2 ACE 0 -13.682 -1.882 -2.964
3 H3 ACE 0 HA3 ACE 0 -15.031 -2.851 -2.374
4 HA PRO 1 HA PRO 1 -12.639 -3.626 -1.068
5 HB2 PRO 1 HB2 PRO 1 -11.092 -5.944 -0.833
6 HB3 PRO 1 HB1 PRO 1 -12.620 -5.645 0.013
7 HG2 PRO 1 HG2 PRO 1 -12.107 -7.213 -2.453
8 HG3 PRO 1 HG1 PRO 1 -13.241 -7.526 -1.123
9 HD2 PRO 1 HD2 PRO 1 -14.105 -6.552 -3.469
10 HD3 PRO 1 HD1 PRO 1 -14.813 -6.015 -1.929
11 HA PRO 2 HA PRO 2 -9.161 -2.142 -3.412
12 HB2 PRO 2 HB2 PRO 2 -7.564 -1.484 -1.246
13 HB3 PRO 2 HB1 PRO 2 -8.831 -0.441 -1.924
14 HG2 PRO 2 HG2 PRO 2 -8.918 -2.214 0.458
15 HG3 PRO 2 HG1 PRO 2 -9.637 -0.610 0.212
16 HD2 PRO 2 HD2 PRO 2 -11.121 -2.847 0.092
17 HD3 PRO 2 HD1 PRO 2 -11.451 -1.451 -0.956
18 H THR 3 HN THR 3 -7.663 -3.377 -4.356
19 HA THR 3 HA THR 3 -6.686 -5.776 -3.232
20 HB THR 3 HB THR 3 -5.486 -4.215 -5.522
21 HG1 THR 3 HG1 THR 3 -7.005 -5.130 -6.807
22 HG21 THR 3 HG21 THR 3 -5.464 -7.164 -4.872
23 HG22 THR 3 HG22 THR 3 -4.104 -6.059 -4.678
24 HG23 THR 3 HG23 THR 3 -4.730 -6.409 -6.289
25 H LYS 4 HN LYS 4 -5.053 -6.121 -1.903
26 HA LYS 4 HA LYS 4 -3.684 -4.016 -0.636
27 HB2 LYS 4 HB2 LYS 4 -3.069 -6.976 -0.707
28 HB3 LYS 4 HB1 LYS 4 -2.326 -5.825 0.402
29 HG2 LYS 4 HG2 LYS 4 -4.509 -5.349 1.377
30 HG3 LYS 4 HG1 LYS 4 -5.262 -6.481 0.256
31 HD2 LYS 4 HD2 LYS 4 -3.162 -7.191 2.303
32 HD3 LYS 4 HD1 LYS 4 -4.896 -7.447 2.499
33 HE2 LYS 4 HE2 LYS 4 -4.888 -8.935 0.551
34 HE3 LYS 4 HE1 LYS 4 -3.156 -8.680 0.362
35 HZ1 LYS 4 HZ1 LYS 4 -4.510 -9.979 2.662
36 HZ2 LYS 4 HZ2 LYS 4 -2.858 -9.636 2.598
37 HZ3 LYS 4 HZ3 LYS 4 -3.533 -10.734 1.506
38 HA PRO 5 HA PRO 5 -0.349 -3.223 -3.434
39 HB2 PRO 5 HB2 PRO 5 1.575 -2.468 -1.614
40 HB3 PRO 5 HB1 PRO 5 0.285 -1.401 -2.204
41 HG2 PRO 5 HG2 PRO 5 0.461 -2.918 0.348
42 HG3 PRO 5 HG1 PRO 5 -0.178 -1.288 0.029
43 HD2 PRO 5 HD2 PRO 5 -1.800 -3.423 0.381
44 HD3 PRO 5 HD1 PRO 5 -2.215 -2.078 -0.711
45 H THR 6 HN THR 6 0.481 -4.949 -4.361
46 HA THR 6 HA THR 6 1.718 -7.086 -2.896
47 HB THR 6 HB THR 6 1.761 -6.696 -5.879
48 HG1 THR 6 HG1 THR 6 -0.353 -7.349 -4.144
49 HG21 THR 6 HG21 THR 6 1.716 -9.156 -4.128
50 HG22 THR 6 HG22 THR 6 3.109 -8.540 -5.020
51 HG23 THR 6 HG23 THR 6 1.704 -9.156 -5.891
52 H LYS 7 HN LYS 7 2.696 -4.107 -3.924
53 HA LYS 7 HA LYS 7 5.304 -4.403 -4.834
54 HB2 LYS 7 HB2 LYS 7 4.237 -2.262 -2.985
55 HB3 LYS 7 HB1 LYS 7 5.664 -2.132 -3.999
56 HG2 LYS 7 HG2 LYS 7 4.305 -2.226 -5.994
57 HG3 LYS 7 HG1 LYS 7 2.852 -2.488 -5.021
58 HD2 LYS 7 HD2 LYS 7 3.237 -0.282 -3.942
59 HD3 LYS 7 HD1 LYS 7 4.603 -0.024 -5.029
60 HE2 LYS 7 HE2 LYS 7 2.654 1.121 -5.882
61 HE3 LYS 7 HE1 LYS 7 3.071 -0.215 -6.953
62 HZ1 LYS 7 HZ1 LYS 7 0.928 -0.260 -4.886
63 HZ2 LYS 7 HZ2 LYS 7 1.317 -1.533 -5.937
64 HZ3 LYS 7 HZ3 LYS 7 0.690 -0.092 -6.555
65 HA PRO 8 HA PRO 8 7.648 -6.143 -1.542
66 HB2 PRO 8 HB2 PRO 8 9.886 -4.502 -1.605
67 HB3 PRO 8 HB1 PRO 8 9.625 -5.906 -2.654
68 HG2 PRO 8 HG2 PRO 8 9.200 -3.025 -3.218
69 HG3 PRO 8 HG1 PRO 8 9.831 -4.302 -4.278
70 HD2 PRO 8 HD2 PRO 8 7.310 -3.406 -4.529
71 HD3 PRO 8 HD1 PRO 8 7.709 -5.126 -4.769
72 H GLY 9 HN GLY 9 7.230 -5.914 0.520
73 HA2 GLY 9 HA2 GLY 9 7.395 -3.233 1.725
74 HA3 GLY 9 HA1 GLY 9 6.003 -4.265 2.012
75 H ASP 10 HN ASP 10 7.926 -6.628 1.995
76 HA ASP 10 HA ASP 10 8.422 -6.563 4.840
77 HB2 ASP 10 HB2 ASP 10 8.940 -8.722 2.789
78 HB3 ASP 10 HB1 ASP 10 9.188 -8.913 4.518
79 H ASN 11 HN ASN 11 10.339 -6.879 1.889
80 HA ASN 11 HA ASN 11 12.618 -5.778 3.343
81 HB2 ASN 11 HB2 ASN 11 12.984 -8.185 3.359
82 HB3 ASN 11 HB1 ASN 11 12.749 -8.256 1.616
83 HD21 ASN 11 HD21 ASN 11 14.410 -7.652 0.262
84 HD22 ASN 11 HD22 ASN 11 16.003 -7.289 0.831
85 H ALA 12 HN ALA 12 13.183 -4.004 2.323
86 HA ALA 12 HA ALA 12 13.742 -3.904 -0.467
87 HB1 ALA 12 HB1 ALA 12 11.377 -2.294 0.500
88 HB2 ALA 12 HB2 ALA 12 11.274 -3.727 -0.522
89 HB3 ALA 12 HB3 ALA 12 12.074 -2.276 -1.121
90 H THR 13 HN THR 13 14.290 -1.545 -1.071
91 HA THR 13 HA THR 13 16.025 -0.447 0.892
92 HB THR 13 HB THR 13 16.270 1.440 -0.722
93 HG1 THR 13 HG1 THR 13 15.220 1.087 -2.801
94 HG21 THR 13 HG21 THR 13 17.713 -0.484 -0.899
95 HG22 THR 13 HG22 THR 13 17.286 0.079 -2.516
96 HG23 THR 13 HG23 THR 13 16.497 -1.348 -1.839
97 HA PRO 14 HA PRO 14 13.423 2.169 3.272
98 HB2 PRO 14 HB2 PRO 14 14.979 4.465 3.380
99 HB3 PRO 14 HB1 PRO 14 15.213 3.046 4.417
100 HG2 PRO 14 HG2 PRO 14 16.651 3.839 1.944
101 HG3 PRO 14 HG1 PRO 14 17.276 3.115 3.448
102 HD2 PRO 14 HD2 PRO 14 16.919 1.624 1.253
103 HD3 PRO 14 HD1 PRO 14 16.587 0.973 2.870
104 H GLU 15 HN GLU 15 14.849 3.534 0.362
105 HA GLU 15 HA GLU 15 13.033 5.665 0.031
106 HB2 GLU 15 HB2 GLU 15 15.177 5.632 -1.111
107 HB3 GLU 15 HB1 GLU 15 14.717 4.180 -1.989
108 HG2 GLU 15 HG2 GLU 15 12.985 5.407 -3.165
109 HG3 GLU 15 HG1 GLU 15 13.362 6.855 -2.236
110 H LYS 16 HN LYS 16 13.115 2.351 -1.203
111 HA LYS 16 HA LYS 16 10.782 2.615 -2.799
112 HB2 LYS 16 HB2 LYS 16 12.548 0.894 -3.169
113 HB3 LYS 16 HB1 LYS 16 12.030 0.094 -1.691
114 HG2 LYS 16 HG2 LYS 16 9.842 -0.328 -2.661
115 HG3 LYS 16 HG1 LYS 16 10.320 0.518 -4.134
116 HD2 LYS 16 HD2 LYS 16 11.628 -1.974 -3.044
117 HD3 LYS 16 HD1 LYS 16 10.473 -1.924 -4.374
118 HE2 LYS 16 HE2 LYS 16 13.178 -0.590 -4.326
119 HE3 LYS 16 HE1 LYS 16 12.770 -2.071 -5.188
120 HZ1 LYS 16 HZ1 LYS 16 11.158 -0.785 -6.491
121 HZ2 LYS 16 HZ2 LYS 16 12.734 -0.217 -6.690
122 HZ3 LYS 16 HZ3 LYS 16 11.650 0.628 -5.707
123 H LEU 17 HN LEU 17 11.417 1.421 0.464
124 HA LEU 17 HA LEU 17 8.814 0.567 1.037
125 HB2 LEU 17 HB2 LEU 17 11.011 1.586 2.810
126 HB3 LEU 17 HB1 LEU 17 9.486 1.008 3.442
127 HG LEU 17 HG LEU 17 11.504 -0.600 1.882
128 HD11 LEU 17 HD11 LEU 17 11.774 -1.827 3.961
129 HD12 LEU 17 HD12 LEU 17 10.600 -0.775 4.751
130 HD13 LEU 17 HD13 LEU 17 12.139 -0.117 4.195
131 HD21 LEU 17 HD21 LEU 17 9.301 -1.354 1.293
132 HD22 LEU 17 HD22 LEU 17 8.805 -1.360 2.985
133 HD23 LEU 17 HD23 LEU 17 10.014 -2.513 2.416
134 H ALA 18 HN ALA 18 10.309 3.747 1.197
135 HA ALA 18 HA ALA 18 8.224 5.082 2.519
136 HB1 ALA 18 HB1 ALA 18 10.457 6.042 2.189
137 HB2 ALA 18 HB2 ALA 18 9.182 7.120 1.622
138 HB3 ALA 18 HB3 ALA 18 10.126 6.184 0.462
139 H LYS 19 HN LYS 19 8.821 4.391 -0.877
140 HA LYS 19 HA LYS 19 6.546 5.737 -1.899
141 HB2 LYS 19 HB2 LYS 19 8.494 5.081 -3.274
142 HB3 LYS 19 HB1 LYS 19 8.079 3.390 -3.045
143 HG2 LYS 19 HG2 LYS 19 5.973 3.746 -4.236
144 HG3 LYS 19 HG1 LYS 19 6.398 5.444 -4.472
145 HD2 LYS 19 HD2 LYS 19 8.390 4.758 -5.727
146 HD3 LYS 19 HD1 LYS 19 7.944 3.066 -5.504
147 HE2 LYS 19 HE2 LYS 19 5.868 3.458 -6.743
148 HE3 LYS 19 HE1 LYS 19 6.322 5.148 -6.966
149 HZ1 LYS 19 HZ1 LYS 19 8.293 4.392 -8.183
150 HZ2 LYS 19 HZ2 LYS 19 6.862 3.880 -8.920
151 HZ3 LYS 19 HZ3 LYS 19 7.783 2.788 -8.020
152 H TYR 20 HN TYR 20 7.174 2.448 -0.816
153 HA TYR 20 HA TYR 20 4.683 1.313 -1.404
154 HB2 TYR 20 HB2 TYR 20 6.560 -0.073 -0.757
155 HB3 TYR 20 HB1 TYR 20 6.647 0.710 0.817
156 HD1 TYR 20 HD1 TYR 20 4.582 -1.534 -1.286
157 HD2 TYR 20 HD2 TYR 20 5.335 -0.057 2.631
158 HE1 TYR 20 HE1 TYR 20 3.086 -3.250 -0.356
159 HE2 TYR 20 HE2 TYR 20 3.843 -1.767 3.572
160 HH TYR 20 HH TYR 20 2.713 -4.418 1.760
161 H GLN 21 HN GLN 21 5.824 3.118 1.409
162 HA GLN 21 HA GLN 21 3.531 2.830 3.003
163 HB2 GLN 21 HB2 GLN 21 5.598 5.025 2.885
164 HB3 GLN 21 HB1 GLN 21 4.342 4.945 4.108
165 HG2 GLN 21 HG2 GLN 21 5.210 2.830 4.905
166 HG3 GLN 21 HG1 GLN 21 6.430 2.832 3.631
167 HE21 GLN 21 HE21 GLN 21 8.112 2.760 5.143
168 HE22 GLN 21 HE22 GLN 21 8.551 4.146 6.081
169 H ALA 22 HN ALA 22 4.349 5.144 0.486
170 HA ALA 22 HA ALA 22 2.123 6.850 0.868
171 HB1 ALA 22 HB1 ALA 22 4.095 7.591 -0.334
172 HB2 ALA 22 HB2 ALA 22 2.677 7.704 -1.376
173 HB3 ALA 22 HB3 ALA 22 3.820 6.374 -1.579
174 H ASP 23 HN ASP 23 2.682 3.956 -1.018
175 HA ASP 23 HA ASP 23 0.152 4.105 -2.380
176 HB2 ASP 23 HB2 ASP 23 2.155 3.019 -3.384
177 HB3 ASP 23 HB1 ASP 23 2.055 1.762 -2.148
178 H LEU 24 HN LEU 24 1.464 2.518 0.437
179 HA LEU 24 HA LEU 24 -0.769 0.900 1.063
180 HB2 LEU 24 HB2 LEU 24 1.532 0.700 2.052
181 HB3 LEU 24 HB1 LEU 24 1.227 2.170 2.950
182 HG LEU 24 HG LEU 24 0.998 -0.082 4.162
183 HD11 LEU 24 HD11 LEU 24 -0.841 0.749 5.536
184 HD12 LEU 24 HD12 LEU 24 -1.237 1.927 4.283
185 HD13 LEU 24 HD13 LEU 24 0.305 2.029 5.133
186 HD21 LEU 24 HD21 LEU 24 -0.351 -1.203 2.465
187 HD22 LEU 24 HD22 LEU 24 -1.641 -0.029 2.716
188 HD23 LEU 24 HD23 LEU 24 -1.191 -1.133 4.012
189 H ALA 25 HN ALA 25 0.066 4.252 1.767
190 HA ALA 25 HA ALA 25 -2.110 4.895 3.410
191 HB1 ALA 25 HB1 ALA 25 -1.690 7.203 2.768
192 HB2 ALA 25 HB2 ALA 25 -0.692 6.656 1.420
193 HB3 ALA 25 HB3 ALA 25 -0.174 6.356 3.078
194 H LYS 26 HN LYS 26 -1.750 4.837 -0.090
195 HA LYS 26 HA LYS 26 -4.291 5.793 -0.797
196 HB2 LYS 26 HB2 LYS 26 -2.505 5.590 -2.430
197 HB3 LYS 26 HB1 LYS 26 -2.459 3.850 -2.215
198 HG2 LYS 26 HG2 LYS 26 -3.575 4.417 -4.275
199 HG3 LYS 26 HG1 LYS 26 -4.710 3.675 -3.147
200 HD2 LYS 26 HD2 LYS 26 -5.558 5.892 -2.546
201 HD3 LYS 26 HD1 LYS 26 -4.423 6.631 -3.677
202 HE2 LYS 26 HE2 LYS 26 -5.481 5.424 -5.523
203 HE3 LYS 26 HE1 LYS 26 -6.613 4.688 -4.389
204 HZ1 LYS 26 HZ1 LYS 26 -7.573 6.588 -5.545
205 HZ2 LYS 26 HZ2 LYS 26 -6.374 7.597 -4.916
206 HZ3 LYS 26 HZ3 LYS 26 -7.490 6.862 -3.879
207 H TYR 27 HN TYR 27 -3.116 2.540 -0.093
208 HA TYR 27 HA TYR 27 -5.488 1.133 -0.614
209 HB2 TYR 27 HB2 TYR 27 -3.428 -0.083 -0.303
210 HB3 TYR 27 HB1 TYR 27 -3.225 0.577 1.311
211 HD1 TYR 27 HD1 TYR 27 -5.262 -1.742 -0.732
212 HD2 TYR 27 HD2 TYR 27 -4.224 -0.473 3.197
213 HE1 TYR 27 HE1 TYR 27 -6.411 -3.702 0.200
214 HE2 TYR 27 HE2 TYR 27 -5.375 -2.429 4.136
215 HH TYR 27 HH TYR 27 -7.046 -4.040 3.565
216 H GLN 28 HN GLN 28 -4.340 2.809 2.272
217 HA GLN 28 HA GLN 28 -6.380 2.022 4.028
218 HB2 GLN 28 HB2 GLN 28 -4.792 4.593 3.966
219 HB3 GLN 28 HB1 GLN 28 -5.835 4.104 5.290
220 HG2 GLN 28 HG2 GLN 28 -4.411 2.090 5.601
221 HG3 GLN 28 HG1 GLN 28 -3.322 2.724 4.362
222 HE21 GLN 28 HE21 GLN 28 -1.596 2.946 5.765
223 HE22 GLN 28 HE22 GLN 28 -1.543 4.147 7.003
224 H LYS 29 HN LYS 29 -6.173 4.665 1.717
225 HA LYS 29 HA LYS 29 -8.482 6.044 2.530
226 HB2 LYS 29 HB2 LYS 29 -6.668 6.946 1.066
227 HB3 LYS 29 HB1 LYS 29 -7.289 5.953 -0.244
228 HG2 LYS 29 HG2 LYS 29 -9.365 7.168 -0.246
229 HG3 LYS 29 HG1 LYS 29 -8.866 8.089 1.176
230 HD2 LYS 29 HD2 LYS 29 -7.012 9.050 -0.099
231 HD3 LYS 29 HD1 LYS 29 -7.511 8.133 -1.520
232 HE2 LYS 29 HE2 LYS 29 -8.287 10.437 -1.649
233 HE3 LYS 29 HE1 LYS 29 -9.640 9.315 -1.543
234 HZ1 LYS 29 HZ1 LYS 29 -8.532 10.854 0.742
235 HZ2 LYS 29 HZ2 LYS 29 -9.888 9.847 0.777
236 HZ3 LYS 29 HZ3 LYS 29 -9.920 11.274 -0.125
237 H ASP 30 HN ASP 30 -7.985 3.675 -0.075
238 HA ASP 30 HA ASP 30 -10.708 3.464 -0.793
239 HB2 ASP 30 HB2 ASP 30 -8.314 1.699 -1.195
240 HB3 ASP 30 HB1 ASP 30 -9.925 1.112 -1.603
241 H LEU 31 HN LEU 31 -8.744 1.875 1.622
242 HA LEU 31 HA LEU 31 -10.547 -0.154 2.368
243 HB2 LEU 31 HB2 LEU 31 -8.165 -0.137 2.969
244 HB3 LEU 31 HB1 LEU 31 -8.433 1.254 3.997
245 HG LEU 31 HG LEU 31 -9.871 -0.111 5.462
246 HD11 LEU 31 HD11 LEU 31 -10.687 -1.744 3.881
247 HD12 LEU 31 HD12 LEU 31 -9.838 -2.563 5.190
248 HD13 LEU 31 HD13 LEU 31 -9.053 -2.357 3.625
249 HD21 LEU 31 HD21 LEU 31 -7.524 0.147 5.983
250 HD22 LEU 31 HD22 LEU 31 -7.117 -1.210 4.936
251 HD23 LEU 31 HD23 LEU 31 -8.058 -1.482 6.403
252 H ALA 32 HN ALA 32 -10.078 3.144 3.529
253 HA ALA 32 HA ALA 32 -11.983 3.125 5.584
254 HB1 ALA 32 HB1 ALA 32 -11.954 5.557 5.379
255 HB2 ALA 32 HB2 ALA 32 -11.122 5.416 3.830
256 HB3 ALA 32 HB3 ALA 32 -10.321 4.894 5.311
257 H ASP 33 HN ASP 33 -12.222 3.882 2.159
258 HA ASP 33 HA ASP 33 -14.959 4.601 2.166
259 HB2 ASP 33 HB2 ASP 33 -13.484 5.276 0.349
260 HB3 ASP 33 HB1 ASP 33 -13.187 3.594 -0.071
261 H TYR 34 HN TYR 34 -13.271 1.574 1.938
262 HA TYR 34 HA TYR 34 -15.488 0.040 0.977
263 HB2 TYR 34 HB2 TYR 34 -13.176 -0.652 0.554
264 HB3 TYR 34 HB1 TYR 34 -12.898 -0.816 2.281
265 HD1 TYR 34 HD1 TYR 34 -15.235 -2.083 -0.340
266 HD2 TYR 34 HD2 TYR 34 -13.013 -2.934 3.181
267 HE1 TYR 34 HE1 TYR 34 -15.956 -4.424 -0.462
268 HE2 TYR 34 HE2 TYR 34 -13.729 -5.278 3.072
269 HH TYR 34 HH TYR 34 -15.232 -6.616 0.319
270 HN1 NH2 35 HN1 NH2 35 -17.217 -0.262 2.172
271 HN2 NH2 35 HN2 NH2 35 -17.252 -0.598 3.864
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 -14.991 -2.707 -2.539
2 H2 ACE 0 HA2 ACE 0 -14.644 -2.105 -4.158
3 H3 ACE 0 HA3 ACE 0 -13.398 -1.986 -2.917
4 HA PRO 1 HA PRO 1 -12.667 -3.651 -1.047
5 HB2 PRO 1 HB2 PRO 1 -11.264 -6.032 -0.660
6 HB3 PRO 1 HB1 PRO 1 -12.803 -5.616 0.113
7 HG2 PRO 1 HG2 PRO 1 -12.283 -7.335 -2.244
8 HG3 PRO 1 HG1 PRO 1 -13.494 -7.504 -0.956
9 HD2 PRO 1 HD2 PRO 1 -14.160 -6.608 -3.407
10 HD3 PRO 1 HD1 PRO 1 -14.950 -5.996 -1.939
11 HA PRO 2 HA PRO 2 -9.107 -2.424 -3.372
12 HB2 PRO 2 HB2 PRO 2 -7.524 -1.656 -1.237
13 HB3 PRO 2 HB1 PRO 2 -8.785 -0.645 -1.974
14 HG2 PRO 2 HG2 PRO 2 -8.889 -2.288 0.501
15 HG3 PRO 2 HG1 PRO 2 -9.597 -0.697 0.161
16 HD2 PRO 2 HD2 PRO 2 -11.088 -2.939 0.155
17 HD3 PRO 2 HD1 PRO 2 -11.417 -1.587 -0.947
18 H THR 3 HN THR 3 -7.209 -3.280 -4.042
19 HA THR 3 HA THR 3 -6.370 -5.799 -2.888
20 HB THR 3 HB THR 3 -5.220 -4.294 -5.243
21 HG1 THR 3 HG1 THR 3 -7.585 -5.129 -5.171
22 HG21 THR 3 HG21 THR 3 -3.741 -6.021 -4.306
23 HG22 THR 3 HG22 THR 3 -4.327 -6.460 -5.911
24 HG23 THR 3 HG23 THR 3 -5.034 -7.208 -4.478
25 H LYS 4 HN LYS 4 -4.502 -6.139 -1.770
26 HA LYS 4 HA LYS 4 -3.259 -3.900 -0.527
27 HB2 LYS 4 HB2 LYS 4 -2.486 -6.825 -0.533
28 HB3 LYS 4 HB1 LYS 4 -1.802 -5.600 0.536
29 HG2 LYS 4 HG2 LYS 4 -4.034 -5.226 1.496
30 HG3 LYS 4 HG1 LYS 4 -4.677 -6.496 0.454
31 HD2 LYS 4 HD2 LYS 4 -3.127 -8.098 1.505
32 HD3 LYS 4 HD1 LYS 4 -2.561 -6.814 2.576
33 HE2 LYS 4 HE2 LYS 4 -4.843 -6.568 3.457
34 HE3 LYS 4 HE1 LYS 4 -5.373 -7.889 2.417
35 HZ1 LYS 4 HZ1 LYS 4 -3.352 -8.087 4.584
36 HZ2 LYS 4 HZ2 LYS 4 -3.829 -9.356 3.575
37 HZ3 LYS 4 HZ3 LYS 4 -4.938 -8.670 4.650
38 HA PRO 5 HA PRO 5 -0.060 -2.792 -3.336
39 HB2 PRO 5 HB2 PRO 5 2.064 -2.646 -1.511
40 HB3 PRO 5 HB1 PRO 5 0.955 -1.325 -1.933
41 HG2 PRO 5 HG2 PRO 5 0.919 -3.148 0.408
42 HG3 PRO 5 HG1 PRO 5 0.464 -1.432 0.288
43 HD2 PRO 5 HD2 PRO 5 -1.405 -3.349 0.434
44 HD3 PRO 5 HD1 PRO 5 -1.635 -1.910 -0.590
45 H THR 6 HN THR 6 1.082 -3.951 -4.683
46 HA THR 6 HA THR 6 1.966 -6.606 -4.042
47 HB THR 6 HB THR 6 2.541 -5.069 -6.565
48 HG1 THR 6 HG1 THR 6 0.172 -6.419 -5.740
49 HG21 THR 6 HG21 THR 6 2.452 -7.301 -7.595
50 HG22 THR 6 HG22 THR 6 2.152 -8.011 -6.008
51 HG23 THR 6 HG23 THR 6 3.687 -7.213 -6.341
52 H LYS 7 HN LYS 7 3.289 -3.456 -4.099
53 HA LYS 7 HA LYS 7 5.998 -3.985 -4.570
54 HB2 LYS 7 HB2 LYS 7 4.555 -1.791 -3.109
55 HB3 LYS 7 HB1 LYS 7 6.308 -1.843 -3.156
56 HG2 LYS 7 HG2 LYS 7 6.265 -1.743 -5.591
57 HG3 LYS 7 HG1 LYS 7 4.497 -1.717 -5.565
58 HD2 LYS 7 HD2 LYS 7 6.147 0.339 -4.117
59 HD3 LYS 7 HD1 LYS 7 5.707 0.525 -5.815
60 HE2 LYS 7 HE2 LYS 7 3.705 0.054 -3.618
61 HE3 LYS 7 HE1 LYS 7 4.184 1.659 -4.164
62 HZ1 LYS 7 HZ1 LYS 7 3.366 1.149 -6.356
63 HZ2 LYS 7 HZ2 LYS 7 2.132 0.867 -5.227
64 HZ3 LYS 7 HZ3 LYS 7 2.985 -0.432 -5.896
65 HA PRO 8 HA PRO 8 7.360 -6.085 -0.946
66 HB2 PRO 8 HB2 PRO 8 9.947 -5.169 -0.875
67 HB3 PRO 8 HB1 PRO 8 9.379 -6.444 -1.972
68 HG2 PRO 8 HG2 PRO 8 9.814 -3.549 -2.500
69 HG3 PRO 8 HG1 PRO 8 10.199 -4.952 -3.518
70 HD2 PRO 8 HD2 PRO 8 8.026 -3.427 -3.980
71 HD3 PRO 8 HD1 PRO 8 8.018 -5.182 -4.264
72 H GLY 9 HN GLY 9 7.598 -5.742 1.211
73 HA2 GLY 9 HA2 GLY 9 8.132 -3.034 2.176
74 HA3 GLY 9 HA1 GLY 9 6.591 -3.764 2.601
75 H ASP 10 HN ASP 10 9.521 -5.619 2.301
76 HA ASP 10 HA ASP 10 9.438 -6.078 5.206
77 HB2 ASP 10 HB2 ASP 10 10.171 -7.924 2.944
78 HB3 ASP 10 HB1 ASP 10 10.659 -8.254 4.600
79 H ASN 11 HN ASN 11 11.903 -6.684 2.713
80 HA ASN 11 HA ASN 11 13.813 -5.286 4.464
81 HB2 ASN 11 HB2 ASN 11 15.565 -6.705 3.609
82 HB3 ASN 11 HB1 ASN 11 14.240 -7.724 4.156
83 HD21 ASN 11 HD21 ASN 11 16.403 -8.218 2.226
84 HD22 ASN 11 HD22 ASN 11 15.619 -8.687 0.759
85 H ALA 12 HN ALA 12 12.034 -4.432 2.117
86 HA ALA 12 HA ALA 12 13.707 -3.675 -0.018
87 HB1 ALA 12 HB1 ALA 12 11.885 -2.227 -0.695
88 HB2 ALA 12 HB2 ALA 12 11.132 -2.396 0.890
89 HB3 ALA 12 HB3 ALA 12 11.256 -3.792 -0.181
90 H THR 13 HN THR 13 14.300 -1.478 -0.593
91 HA THR 13 HA THR 13 15.787 -0.234 1.478
92 HB THR 13 HB THR 13 16.289 1.487 -0.258
93 HG1 THR 13 HG1 THR 13 14.912 -0.118 -2.125
94 HG21 THR 13 HG21 THR 13 16.561 -1.394 -1.116
95 HG22 THR 13 HG22 THR 13 17.666 -0.510 -0.063
96 HG23 THR 13 HG23 THR 13 17.500 -0.044 -1.755
97 HA PRO 14 HA PRO 14 13.034 2.737 3.216
98 HB2 PRO 14 HB2 PRO 14 14.642 5.003 3.162
99 HB3 PRO 14 HB1 PRO 14 14.712 3.750 4.413
100 HG2 PRO 14 HG2 PRO 14 16.437 4.138 2.031
101 HG3 PRO 14 HG1 PRO 14 16.868 3.632 3.684
102 HD2 PRO 14 HD2 PRO 14 16.702 1.834 1.711
103 HD3 PRO 14 HD1 PRO 14 16.155 1.444 3.353
104 H GLU 15 HN GLU 15 14.722 3.534 0.258
105 HA GLU 15 HA GLU 15 13.116 5.689 -0.573
106 HB2 GLU 15 HB2 GLU 15 15.304 5.124 -1.579
107 HB3 GLU 15 HB1 GLU 15 14.602 3.664 -2.257
108 HG2 GLU 15 HG2 GLU 15 12.975 5.163 -3.471
109 HG3 GLU 15 HG1 GLU 15 13.992 6.515 -2.977
110 H LYS 16 HN LYS 16 12.991 2.224 -1.260
111 HA LYS 16 HA LYS 16 10.646 2.442 -2.877
112 HB2 LYS 16 HB2 LYS 16 12.337 0.684 -3.250
113 HB3 LYS 16 HB1 LYS 16 11.957 -0.004 -1.676
114 HG2 LYS 16 HG2 LYS 16 9.755 -0.598 -2.388
115 HG3 LYS 16 HG1 LYS 16 9.961 0.273 -3.909
116 HD2 LYS 16 HD2 LYS 16 11.614 -2.102 -3.061
117 HD3 LYS 16 HD1 LYS 16 10.203 -2.194 -4.115
118 HE2 LYS 16 HE2 LYS 16 11.341 -0.635 -5.680
119 HE3 LYS 16 HE1 LYS 16 12.773 -0.710 -4.654
120 HZ1 LYS 16 HZ1 LYS 16 12.875 -2.234 -6.554
121 HZ2 LYS 16 HZ2 LYS 16 11.518 -3.052 -5.972
122 HZ3 LYS 16 HZ3 LYS 16 12.951 -3.051 -5.079
123 H LEU 17 HN LEU 17 11.337 1.542 0.465
124 HA LEU 17 HA LEU 17 8.781 0.647 1.152
125 HB2 LEU 17 HB2 LEU 17 10.940 1.940 2.781
126 HB3 LEU 17 HB1 LEU 17 9.434 1.408 3.493
127 HG LEU 17 HG LEU 17 11.499 -0.324 2.138
128 HD11 LEU 17 HD11 LEU 17 11.763 -1.299 4.349
129 HD12 LEU 17 HD12 LEU 17 10.555 -0.190 4.998
130 HD13 LEU 17 HD13 LEU 17 12.086 0.433 4.386
131 HD21 LEU 17 HD21 LEU 17 8.799 -1.016 3.280
132 HD22 LEU 17 HD22 LEU 17 10.045 -2.197 2.880
133 HD23 LEU 17 HD23 LEU 17 9.334 -1.203 1.610
134 H ALA 18 HN ALA 18 10.065 3.872 0.793
135 HA ALA 18 HA ALA 18 7.960 5.268 2.037
136 HB1 ALA 18 HB1 ALA 18 8.730 7.199 0.763
137 HB2 ALA 18 HB2 ALA 18 9.726 6.142 -0.238
138 HB3 ALA 18 HB3 ALA 18 10.082 6.324 1.478
139 H LYS 19 HN LYS 19 8.470 4.161 -1.275
140 HA LYS 19 HA LYS 19 6.047 5.203 -2.312
141 HB2 LYS 19 HB2 LYS 19 8.049 4.489 -3.665
142 HB3 LYS 19 HB1 LYS 19 7.609 2.821 -3.331
143 HG2 LYS 19 HG2 LYS 19 5.439 3.209 -4.445
144 HG3 LYS 19 HG1 LYS 19 5.968 4.841 -4.848
145 HD2 LYS 19 HD2 LYS 19 7.340 2.299 -5.716
146 HD3 LYS 19 HD1 LYS 19 6.260 3.266 -6.719
147 HE2 LYS 19 HE2 LYS 19 7.802 5.172 -6.504
148 HE3 LYS 19 HE1 LYS 19 8.889 4.167 -5.546
149 HZ1 LYS 19 HZ1 LYS 19 8.104 3.676 -8.365
150 HZ2 LYS 19 HZ2 LYS 19 9.120 2.686 -7.449
151 HZ3 LYS 19 HZ3 LYS 19 9.602 4.257 -7.840
152 H TYR 20 HN TYR 20 6.994 2.181 -0.814
153 HA TYR 20 HA TYR 20 4.586 0.771 -1.139
154 HB2 TYR 20 HB2 TYR 20 6.622 -0.345 -0.416
155 HB3 TYR 20 HB1 TYR 20 6.664 0.624 1.054
156 HD1 TYR 20 HD1 TYR 20 4.657 -1.949 -0.733
157 HD2 TYR 20 HD2 TYR 20 5.584 -0.117 2.994
158 HE1 TYR 20 HE1 TYR 20 3.358 -3.679 0.433
159 HE2 TYR 20 HE2 TYR 20 4.286 -1.845 4.169
160 HH TYR 20 HH TYR 20 3.204 -4.694 2.624
161 H GLN 21 HN GLN 21 5.720 2.950 1.423
162 HA GLN 21 HA GLN 21 3.455 2.751 3.077
163 HB2 GLN 21 HB2 GLN 21 5.449 4.988 2.709
164 HB3 GLN 21 HB1 GLN 21 4.205 4.995 3.949
165 HG2 GLN 21 HG2 GLN 21 6.360 2.913 3.673
166 HG3 GLN 21 HG1 GLN 21 6.392 4.270 4.797
167 HE21 GLN 21 HE21 GLN 21 6.442 1.396 5.340
168 HE22 GLN 21 HE22 GLN 21 5.083 1.085 6.362
169 H ALA 22 HN ALA 22 4.179 4.816 0.324
170 HA ALA 22 HA ALA 22 1.896 6.471 0.553
171 HB1 ALA 22 HB1 ALA 22 3.861 7.120 -0.738
172 HB2 ALA 22 HB2 ALA 22 2.411 7.143 -1.742
173 HB3 ALA 22 HB3 ALA 22 3.556 5.807 -1.874
174 H ASP 23 HN ASP 23 2.524 3.412 -1.033
175 HA ASP 23 HA ASP 23 0.010 3.341 -2.422
176 HB2 ASP 23 HB2 ASP 23 2.167 2.117 -3.080
177 HB3 ASP 23 HB1 ASP 23 1.765 0.960 -1.811
178 H LEU 24 HN LEU 24 1.346 1.941 0.524
179 HA LEU 24 HA LEU 24 -0.920 0.447 1.295
180 HB2 LEU 24 HB2 LEU 24 1.403 0.215 2.223
181 HB3 LEU 24 HB1 LEU 24 1.169 1.728 3.070
182 HG LEU 24 HG LEU 24 0.912 -0.468 4.376
183 HD11 LEU 24 HD11 LEU 24 -1.248 1.622 4.491
184 HD12 LEU 24 HD12 LEU 24 0.320 1.691 5.295
185 HD13 LEU 24 HD13 LEU 24 -0.864 0.473 5.771
186 HD21 LEU 24 HD21 LEU 24 -0.520 -1.608 2.754
187 HD22 LEU 24 HD22 LEU 24 -1.776 -0.400 3.018
188 HD23 LEU 24 HD23 LEU 24 -1.299 -1.474 4.330
189 H ALA 25 HN ALA 25 0.051 3.793 1.866
190 HA ALA 25 HA ALA 25 -2.079 4.560 3.522
191 HB1 ALA 25 HB1 ALA 25 -0.591 6.204 1.483
192 HB2 ALA 25 HB2 ALA 25 -0.101 5.937 3.154
193 HB3 ALA 25 HB3 ALA 25 -1.576 6.834 2.803
194 H LYS 26 HN LYS 26 -1.740 4.512 0.012
195 HA LYS 26 HA LYS 26 -4.257 5.556 -0.658
196 HB2 LYS 26 HB2 LYS 26 -2.393 5.281 -2.259
197 HB3 LYS 26 HB1 LYS 26 -2.577 3.538 -2.162
198 HG2 LYS 26 HG2 LYS 26 -4.815 3.716 -3.122
199 HG3 LYS 26 HG1 LYS 26 -4.628 5.467 -3.224
200 HD2 LYS 26 HD2 LYS 26 -2.754 5.206 -4.743
201 HD3 LYS 26 HD1 LYS 26 -2.850 3.451 -4.592
202 HE2 LYS 26 HE2 LYS 26 -5.021 5.224 -5.706
203 HE3 LYS 26 HE1 LYS 26 -3.876 4.292 -6.671
204 HZ1 LYS 26 HZ1 LYS 26 -4.754 2.272 -5.594
205 HZ2 LYS 26 HZ2 LYS 26 -5.919 3.092 -6.499
206 HZ3 LYS 26 HZ3 LYS 26 -5.924 3.210 -4.813
207 H TYR 27 HN TYR 27 -3.156 2.299 0.069
208 HA TYR 27 HA TYR 27 -5.560 0.929 -0.465
209 HB2 TYR 27 HB2 TYR 27 -3.473 -0.284 -0.169
210 HB3 TYR 27 HB1 TYR 27 -3.317 0.318 1.474
211 HD1 TYR 27 HD1 TYR 27 -5.214 -1.971 -0.712
212 HD2 TYR 27 HD2 TYR 27 -4.452 -0.741 3.288
213 HE1 TYR 27 HE1 TYR 27 -6.399 -3.955 0.118
214 HE2 TYR 27 HE2 TYR 27 -5.636 -2.722 4.124
215 HH TYR 27 HH TYR 27 -7.231 -4.343 3.441
216 H GLN 28 HN GLN 28 -4.297 2.444 2.477
217 HA GLN 28 HA GLN 28 -6.406 1.727 4.185
218 HB2 GLN 28 HB2 GLN 28 -4.566 4.129 4.279
219 HB3 GLN 28 HB1 GLN 28 -5.653 3.663 5.579
220 HG2 GLN 28 HG2 GLN 28 -4.450 1.539 5.817
221 HG3 GLN 28 HG1 GLN 28 -3.353 2.025 4.524
222 HE21 GLN 28 HE21 GLN 28 -2.815 1.401 7.336
223 HE22 GLN 28 HE22 GLN 28 -2.016 2.793 7.980
224 H LYS 29 HN LYS 29 -5.885 4.631 2.213
225 HA LYS 29 HA LYS 29 -8.182 6.018 3.049
226 HB2 LYS 29 HB2 LYS 29 -6.265 7.029 1.816
227 HB3 LYS 29 HB1 LYS 29 -6.809 6.204 0.359
228 HG2 LYS 29 HG2 LYS 29 -8.974 7.429 0.569
229 HG3 LYS 29 HG1 LYS 29 -8.258 8.353 1.889
230 HD2 LYS 29 HD2 LYS 29 -7.229 8.231 -0.944
231 HD3 LYS 29 HD1 LYS 29 -8.133 9.567 -0.232
232 HE2 LYS 29 HE2 LYS 29 -6.343 9.941 1.375
233 HE3 LYS 29 HE1 LYS 29 -5.447 8.575 0.715
234 HZ1 LYS 29 HZ1 LYS 29 -5.256 9.730 -1.378
235 HZ2 LYS 29 HZ2 LYS 29 -4.646 10.701 -0.134
236 HZ3 LYS 29 HZ3 LYS 29 -6.170 11.028 -0.789
237 H ASP 30 HN ASP 30 -7.614 3.869 0.308
238 HA ASP 30 HA ASP 30 -10.184 4.031 -0.838
239 HB2 ASP 30 HB2 ASP 30 -8.092 3.050 -1.896
240 HB3 ASP 30 HB1 ASP 30 -8.354 1.617 -0.899
241 H LEU 31 HN LEU 31 -8.775 1.881 1.559
242 HA LEU 31 HA LEU 31 -10.988 0.174 1.904
243 HB2 LEU 31 HB2 LEU 31 -8.635 -0.264 2.644
244 HB3 LEU 31 HB1 LEU 31 -8.868 0.904 3.926
245 HG LEU 31 HG LEU 31 -10.588 -0.512 4.934
246 HD11 LEU 31 HD11 LEU 31 -10.881 -2.826 4.091
247 HD12 LEU 31 HD12 LEU 31 -9.966 -2.380 2.650
248 HD13 LEU 31 HD13 LEU 31 -11.509 -1.598 2.994
249 HD21 LEU 31 HD21 LEU 31 -8.292 -0.780 5.636
250 HD22 LEU 31 HD22 LEU 31 -7.992 -1.911 4.316
251 HD23 LEU 31 HD23 LEU 31 -9.098 -2.349 5.619
252 H ALA 32 HN ALA 32 -9.989 3.127 3.570
253 HA ALA 32 HA ALA 32 -12.005 3.169 5.524
254 HB1 ALA 32 HB1 ALA 32 -9.974 4.542 5.619
255 HB2 ALA 32 HB2 ALA 32 -11.437 5.509 5.806
256 HB3 ALA 32 HB3 ALA 32 -10.576 5.500 4.268
257 H ASP 33 HN ASP 33 -11.852 4.461 2.254
258 HA ASP 33 HA ASP 33 -14.371 5.777 2.366
259 HB2 ASP 33 HB2 ASP 33 -12.668 6.431 0.730
260 HB3 ASP 33 HB1 ASP 33 -12.767 4.847 -0.029
261 H TYR 34 HN TYR 34 -13.342 2.546 1.651
262 HA TYR 34 HA TYR 34 -15.870 1.743 0.509
263 HB2 TYR 34 HB2 TYR 34 -13.782 0.716 -0.265
264 HB3 TYR 34 HB1 TYR 34 -13.466 0.115 1.356
265 HD1 TYR 34 HD1 TYR 34 -16.340 0.036 -1.040
266 HD2 TYR 34 HD2 TYR 34 -13.812 -2.140 1.594
267 HE1 TYR 34 HE1 TYR 34 -17.554 -2.018 -1.583
268 HE2 TYR 34 HE2 TYR 34 -15.021 -4.206 1.058
269 HH TYR 34 HH TYR 34 -17.272 -4.860 0.217
270 HN1 NH2 35 HN1 NH2 35 -17.332 2.207 2.142
271 HN2 NH2 35 HN2 NH2 35 -17.448 1.261 3.583
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 -12.999 -1.957 -2.469
2 H2 ACE 0 HA2 ACE 0 -14.530 -2.631 -1.909
3 H3 ACE 0 HA3 ACE 0 -14.399 -2.077 -3.576
4 HA PRO 1 HA PRO 1 -12.295 -3.826 -0.548
5 HB2 PRO 1 HB2 PRO 1 -11.058 -6.349 -0.422
6 HB3 PRO 1 HB1 PRO 1 -12.460 -5.833 0.528
7 HG2 PRO 1 HG2 PRO 1 -12.350 -7.461 -1.939
8 HG3 PRO 1 HG1 PRO 1 -13.469 -7.556 -0.564
9 HD2 PRO 1 HD2 PRO 1 -14.231 -6.475 -2.903
10 HD3 PRO 1 HD1 PRO 1 -14.796 -5.816 -1.353
11 HA PRO 2 HA PRO 2 -8.743 -2.886 -3.072
12 HB2 PRO 2 HB2 PRO 2 -7.233 -1.751 -1.097
13 HB3 PRO 2 HB1 PRO 2 -8.572 -0.908 -1.906
14 HG2 PRO 2 HG2 PRO 2 -8.525 -2.270 0.741
15 HG3 PRO 2 HG1 PRO 2 -9.290 -0.741 0.265
16 HD2 PRO 2 HD2 PRO 2 -10.699 -3.040 0.522
17 HD3 PRO 2 HD1 PRO 2 -11.125 -1.783 -0.657
18 H THR 3 HN THR 3 -6.973 -4.023 -3.599
19 HA THR 3 HA THR 3 -6.073 -6.156 -1.865
20 HB THR 3 HB THR 3 -4.958 -5.310 -4.542
21 HG1 THR 3 HG1 THR 3 -7.186 -6.910 -3.838
22 HG21 THR 3 HG21 THR 3 -3.525 -6.802 -3.221
23 HG22 THR 3 HG22 THR 3 -4.156 -7.609 -4.655
24 HG23 THR 3 HG23 THR 3 -4.860 -7.944 -3.074
25 H LYS 4 HN LYS 4 -4.175 -6.183 -0.741
26 HA LYS 4 HA LYS 4 -2.901 -3.762 -0.099
27 HB2 LYS 4 HB2 LYS 4 -1.985 -6.615 0.291
28 HB3 LYS 4 HB1 LYS 4 -1.193 -5.213 1.010
29 HG2 LYS 4 HG2 LYS 4 -3.331 -4.674 2.155
30 HG3 LYS 4 HG1 LYS 4 -3.993 -6.186 1.534
31 HD2 LYS 4 HD2 LYS 4 -1.603 -5.887 3.342
32 HD3 LYS 4 HD1 LYS 4 -3.202 -6.456 3.818
33 HE2 LYS 4 HE2 LYS 4 -2.970 -8.385 2.351
34 HE3 LYS 4 HE1 LYS 4 -1.394 -7.806 1.815
35 HZ1 LYS 4 HZ1 LYS 4 -2.089 -8.598 4.589
36 HZ2 LYS 4 HZ2 LYS 4 -0.578 -8.044 4.071
37 HZ3 LYS 4 HZ3 LYS 4 -1.180 -9.516 3.498
38 HA PRO 5 HA PRO 5 -0.182 -2.971 -3.397
39 HB2 PRO 5 HB2 PRO 5 2.029 -2.522 -1.477
40 HB3 PRO 5 HB1 PRO 5 1.314 -1.405 -2.657
41 HG2 PRO 5 HG2 PRO 5 0.868 -1.115 -0.060
42 HG3 PRO 5 HG1 PRO 5 -0.405 -0.798 -1.267
43 HD2 PRO 5 HD2 PRO 5 -0.052 -3.171 0.525
44 HD3 PRO 5 HD1 PRO 5 -1.543 -2.334 0.034
45 H THR 6 HN THR 6 1.004 -4.142 -4.738
46 HA THR 6 HA THR 6 2.085 -6.663 -3.901
47 HB THR 6 HB THR 6 2.436 -5.375 -6.599
48 HG1 THR 6 HG1 THR 6 0.173 -6.692 -5.478
49 HG21 THR 6 HG21 THR 6 3.670 -7.453 -6.220
50 HG22 THR 6 HG22 THR 6 2.370 -7.702 -7.386
51 HG23 THR 6 HG23 THR 6 2.182 -8.254 -5.721
52 H LYS 7 HN LYS 7 3.202 -3.516 -4.040
53 HA LYS 7 HA LYS 7 5.943 -3.869 -4.609
54 HB2 LYS 7 HB2 LYS 7 4.595 -1.804 -2.854
55 HB3 LYS 7 HB1 LYS 7 6.223 -1.689 -3.502
56 HG2 LYS 7 HG2 LYS 7 5.390 -1.521 -5.740
57 HG3 LYS 7 HG1 LYS 7 3.738 -1.843 -5.196
58 HD2 LYS 7 HD2 LYS 7 3.802 0.236 -3.865
59 HD3 LYS 7 HD1 LYS 7 5.424 0.565 -4.480
60 HE2 LYS 7 HE2 LYS 7 3.725 1.825 -5.706
61 HE3 LYS 7 HE1 LYS 7 4.552 0.675 -6.754
62 HZ1 LYS 7 HZ1 LYS 7 2.152 0.691 -7.115
63 HZ2 LYS 7 HZ2 LYS 7 1.888 0.245 -5.502
64 HZ3 LYS 7 HZ3 LYS 7 2.676 -0.818 -6.560
65 HA PRO 8 HA PRO 8 7.322 -5.982 -0.986
66 HB2 PRO 8 HB2 PRO 8 9.886 -5.052 -0.840
67 HB3 PRO 8 HB1 PRO 8 9.356 -6.263 -2.024
68 HG2 PRO 8 HG2 PRO 8 9.722 -3.325 -2.366
69 HG3 PRO 8 HG1 PRO 8 10.210 -4.647 -3.446
70 HD2 PRO 8 HD2 PRO 8 7.990 -3.202 -3.919
71 HD3 PRO 8 HD1 PRO 8 8.057 -4.946 -4.273
72 H GLY 9 HN GLY 9 7.235 -5.636 1.160
73 HA2 GLY 9 HA2 GLY 9 7.845 -2.975 2.210
74 HA3 GLY 9 HA1 GLY 9 6.212 -3.580 2.428
75 H ASP 10 HN ASP 10 8.924 -5.738 2.498
76 HA ASP 10 HA ASP 10 8.513 -6.063 5.394
77 HB2 ASP 10 HB2 ASP 10 9.399 -8.084 3.330
78 HB3 ASP 10 HB1 ASP 10 9.418 -8.381 5.065
79 H ASN 11 HN ASN 11 11.072 -6.819 3.050
80 HA ASN 11 HA ASN 11 13.003 -5.548 4.882
81 HB2 ASN 11 HB2 ASN 11 13.435 -7.930 3.062
82 HB3 ASN 11 HB1 ASN 11 14.709 -7.114 3.956
83 HD21 ASN 11 HD21 ASN 11 11.985 -9.243 4.153
84 HD22 ASN 11 HD22 ASN 11 12.243 -9.750 5.786
85 H ALA 12 HN ALA 12 11.428 -4.459 2.653
86 HA ALA 12 HA ALA 12 13.047 -4.143 0.357
87 HB1 ALA 12 HB1 ALA 12 10.853 -2.304 1.274
88 HB2 ALA 12 HB2 ALA 12 10.569 -3.844 0.468
89 HB3 ALA 12 HB3 ALA 12 11.436 -2.559 -0.372
90 H THR 13 HN THR 13 13.784 -2.004 -0.424
91 HA THR 13 HA THR 13 15.605 -0.829 1.424
92 HB THR 13 HB THR 13 16.073 0.736 -0.480
93 HG1 THR 13 HG1 THR 13 15.044 -0.095 -2.523
94 HG21 THR 13 HG21 THR 13 17.308 -1.352 -0.204
95 HG22 THR 13 HG22 THR 13 17.068 -0.984 -1.913
96 HG23 THR 13 HG23 THR 13 16.072 -2.210 -1.125
97 HA PRO 14 HA PRO 14 13.270 2.385 3.268
98 HB2 PRO 14 HB2 PRO 14 15.025 4.529 2.961
99 HB3 PRO 14 HB1 PRO 14 15.096 3.333 4.266
100 HG2 PRO 14 HG2 PRO 14 16.667 3.489 1.761
101 HG3 PRO 14 HG1 PRO 14 17.166 2.984 3.396
102 HD2 PRO 14 HD2 PRO 14 16.702 1.175 1.473
103 HD3 PRO 14 HD1 PRO 14 16.270 0.857 3.164
104 H GLU 15 HN GLU 15 14.806 3.193 0.182
105 HA GLU 15 HA GLU 15 13.125 5.359 -0.473
106 HB2 GLU 15 HB2 GLU 15 15.265 4.960 -1.600
107 HB3 GLU 15 HB1 GLU 15 14.632 3.471 -2.291
108 HG2 GLU 15 HG2 GLU 15 12.918 4.815 -3.489
109 HG3 GLU 15 HG1 GLU 15 13.699 6.271 -2.874
110 H LYS 16 HN LYS 16 12.969 1.902 -1.193
111 HA LYS 16 HA LYS 16 10.634 2.067 -2.801
112 HB2 LYS 16 HB2 LYS 16 12.248 0.184 -2.929
113 HB3 LYS 16 HB1 LYS 16 11.770 -0.307 -1.310
114 HG2 LYS 16 HG2 LYS 16 10.665 -1.715 -2.877
115 HG3 LYS 16 HG1 LYS 16 9.459 -0.649 -2.157
116 HD2 LYS 16 HD2 LYS 16 9.035 -0.784 -4.515
117 HD3 LYS 16 HD1 LYS 16 9.669 0.824 -4.163
118 HE2 LYS 16 HE2 LYS 16 11.881 0.130 -4.916
119 HE3 LYS 16 HE1 LYS 16 11.277 -1.496 -5.225
120 HZ1 LYS 16 HZ1 LYS 16 10.482 0.994 -6.628
121 HZ2 LYS 16 HZ2 LYS 16 9.732 -0.503 -6.859
122 HZ3 LYS 16 HZ3 LYS 16 11.361 -0.304 -7.269
123 H LEU 17 HN LEU 17 11.256 1.356 0.598
124 HA LEU 17 HA LEU 17 8.652 0.698 1.350
125 HB2 LEU 17 HB2 LEU 17 10.935 1.905 2.866
126 HB3 LEU 17 HB1 LEU 17 9.403 1.556 3.635
127 HG LEU 17 HG LEU 17 11.242 -0.453 2.335
128 HD11 LEU 17 HD11 LEU 17 11.536 -1.282 4.615
129 HD12 LEU 17 HD12 LEU 17 10.529 0.033 5.221
130 HD13 LEU 17 HD13 LEU 17 12.077 0.387 4.454
131 HD21 LEU 17 HD21 LEU 17 8.979 -1.162 2.014
132 HD22 LEU 17 HD22 LEU 17 8.568 -0.776 3.683
133 HD23 LEU 17 HD23 LEU 17 9.668 -2.110 3.334
134 H ALA 18 HN ALA 18 10.205 3.827 0.958
135 HA ALA 18 HA ALA 18 8.209 5.394 2.154
136 HB1 ALA 18 HB1 ALA 18 10.425 6.259 1.600
137 HB2 ALA 18 HB2 ALA 18 9.152 7.249 0.885
138 HB3 ALA 18 HB3 ALA 18 10.053 6.111 -0.117
139 H LYS 19 HN LYS 19 8.652 4.270 -1.165
140 HA LYS 19 HA LYS 19 6.299 5.492 -2.187
141 HB2 LYS 19 HB2 LYS 19 8.149 4.788 -3.634
142 HB3 LYS 19 HB1 LYS 19 7.860 3.110 -3.206
143 HG2 LYS 19 HG2 LYS 19 5.674 3.192 -4.267
144 HG3 LYS 19 HG1 LYS 19 5.921 4.895 -4.665
145 HD2 LYS 19 HD2 LYS 19 7.666 2.630 -5.629
146 HD3 LYS 19 HD1 LYS 19 6.365 3.367 -6.567
147 HE2 LYS 19 HE2 LYS 19 7.505 5.519 -6.479
148 HE3 LYS 19 HE1 LYS 19 8.792 4.810 -5.506
149 HZ1 LYS 19 HZ1 LYS 19 8.101 4.012 -8.279
150 HZ2 LYS 19 HZ2 LYS 19 9.357 3.369 -7.345
151 HZ3 LYS 19 HZ3 LYS 19 9.411 4.985 -7.835
152 H TYR 20 HN TYR 20 7.049 2.350 -0.803
153 HA TYR 20 HA TYR 20 4.589 1.088 -1.225
154 HB2 TYR 20 HB2 TYR 20 6.559 -0.131 -0.459
155 HB3 TYR 20 HB1 TYR 20 6.557 0.779 1.051
156 HD1 TYR 20 HD1 TYR 20 4.646 -1.702 -0.926
157 HD2 TYR 20 HD2 TYR 20 5.259 0.068 2.892
158 HE1 TYR 20 HE1 TYR 20 3.200 -3.411 0.091
159 HE2 TYR 20 HE2 TYR 20 3.817 -1.637 3.919
160 HH TYR 20 HH TYR 20 2.765 -4.434 2.211
161 H GLN 21 HN GLN 21 5.715 3.222 1.356
162 HA GLN 21 HA GLN 21 3.442 3.068 3.000
163 HB2 GLN 21 HB2 GLN 21 5.467 5.274 2.610
164 HB3 GLN 21 HB1 GLN 21 4.212 5.323 3.835
165 HG2 GLN 21 HG2 GLN 21 5.118 3.385 4.921
166 HG3 GLN 21 HG1 GLN 21 6.295 3.167 3.626
167 HE21 GLN 21 HE21 GLN 21 8.031 3.304 5.063
168 HE22 GLN 21 HE22 GLN 21 8.517 4.806 5.772
169 H ALA 22 HN ALA 22 4.216 5.160 0.266
170 HA ALA 22 HA ALA 22 1.941 6.824 0.491
171 HB1 ALA 22 HB1 ALA 22 2.469 7.499 -1.813
172 HB2 ALA 22 HB2 ALA 22 3.643 6.185 -1.915
173 HB3 ALA 22 HB3 ALA 22 3.895 7.506 -0.775
174 H ASP 23 HN ASP 23 2.591 3.830 -1.209
175 HA ASP 23 HA ASP 23 0.076 3.793 -2.589
176 HB2 ASP 23 HB2 ASP 23 2.228 2.654 -3.342
177 HB3 ASP 23 HB1 ASP 23 1.920 1.442 -2.099
178 H LEU 24 HN LEU 24 1.393 2.407 0.352
179 HA LEU 24 HA LEU 24 -0.861 0.867 1.104
180 HB2 LEU 24 HB2 LEU 24 1.491 0.757 2.067
181 HB3 LEU 24 HB1 LEU 24 1.118 2.221 2.947
182 HG LEU 24 HG LEU 24 0.972 0.028 4.221
183 HD11 LEU 24 HD11 LEU 24 -1.460 1.798 4.184
184 HD12 LEU 24 HD12 LEU 24 0.033 2.105 5.071
185 HD13 LEU 24 HD13 LEU 24 -0.977 0.722 5.496
186 HD21 LEU 24 HD21 LEU 24 -1.607 -0.215 2.691
187 HD22 LEU 24 HD22 LEU 24 -1.059 -1.261 3.999
188 HD23 LEU 24 HD23 LEU 24 -0.189 -1.237 2.465
189 H ALA 25 HN ALA 25 0.049 4.234 1.574
190 HA ALA 25 HA ALA 25 -2.054 5.032 3.240
191 HB1 ALA 25 HB1 ALA 25 -0.067 6.396 2.761
192 HB2 ALA 25 HB2 ALA 25 -1.567 7.286 2.499
193 HB3 ALA 25 HB3 ALA 25 -0.661 6.659 1.120
194 H LYS 26 HN LYS 26 -1.829 4.767 -0.270
195 HA LYS 26 HA LYS 26 -4.389 5.746 -0.914
196 HB2 LYS 26 HB2 LYS 26 -2.648 5.366 -2.605
197 HB3 LYS 26 HB1 LYS 26 -2.721 3.638 -2.309
198 HG2 LYS 26 HG2 LYS 26 -3.919 4.069 -4.306
199 HG3 LYS 26 HG1 LYS 26 -5.103 3.688 -3.056
200 HD2 LYS 26 HD2 LYS 26 -5.472 6.113 -2.729
201 HD3 LYS 26 HD1 LYS 26 -4.364 6.431 -4.065
202 HE2 LYS 26 HE2 LYS 26 -6.948 4.886 -4.220
203 HE3 LYS 26 HE1 LYS 26 -6.682 6.523 -4.814
204 HZ1 LYS 26 HZ1 LYS 26 -5.337 4.074 -5.814
205 HZ2 LYS 26 HZ2 LYS 26 -5.061 5.641 -6.377
206 HZ3 LYS 26 HZ3 LYS 26 -6.570 4.920 -6.600
207 H TYR 27 HN TYR 27 -3.191 2.556 -0.088
208 HA TYR 27 HA TYR 27 -5.554 1.086 -0.397
209 HB2 TYR 27 HB2 TYR 27 -3.439 -0.031 -0.168
210 HB3 TYR 27 HB1 TYR 27 -3.151 0.715 1.393
211 HD1 TYR 27 HD1 TYR 27 -5.094 -1.858 -0.391
212 HD2 TYR 27 HD2 TYR 27 -4.059 -0.232 3.400
213 HE1 TYR 27 HE1 TYR 27 -6.090 -3.812 0.711
214 HE2 TYR 27 HE2 TYR 27 -5.046 -2.188 4.511
215 HH TYR 27 HH TYR 27 -6.081 -4.992 2.726
216 H GLN 28 HN GLN 28 -4.301 2.958 2.320
217 HA GLN 28 HA GLN 28 -6.194 2.218 4.245
218 HB2 GLN 28 HB2 GLN 28 -4.783 4.878 3.908
219 HB3 GLN 28 HB1 GLN 28 -5.662 4.383 5.347
220 HG2 GLN 28 HG2 GLN 28 -4.068 2.551 5.687
221 HG3 GLN 28 HG1 GLN 28 -3.178 3.068 4.250
222 HE21 GLN 28 HE21 GLN 28 -1.303 3.521 5.360
223 HE22 GLN 28 HE22 GLN 28 -1.146 4.862 6.435
224 H LYS 29 HN LYS 29 -6.201 4.877 1.900
225 HA LYS 29 HA LYS 29 -8.620 6.040 2.730
226 HB2 LYS 29 HB2 LYS 29 -7.042 7.262 1.347
227 HB3 LYS 29 HB1 LYS 29 -7.247 6.106 0.036
228 HG2 LYS 29 HG2 LYS 29 -8.457 8.177 -0.393
229 HG3 LYS 29 HG1 LYS 29 -9.557 6.806 -0.249
230 HD2 LYS 29 HD2 LYS 29 -10.060 7.457 2.057
231 HD3 LYS 29 HD1 LYS 29 -8.957 8.827 1.910
232 HE2 LYS 29 HE2 LYS 29 -10.339 9.779 0.156
233 HE3 LYS 29 HE1 LYS 29 -11.416 8.386 0.224
234 HZ1 LYS 29 HZ1 LYS 29 -12.059 8.982 2.440
235 HZ2 LYS 29 HZ2 LYS 29 -12.264 10.330 1.441
236 HZ3 LYS 29 HZ3 LYS 29 -10.940 10.248 2.486
237 H ASP 30 HN ASP 30 -7.907 3.738 0.139
238 HA ASP 30 HA ASP 30 -10.553 3.496 -0.808
239 HB2 ASP 30 HB2 ASP 30 -8.394 2.766 -1.971
240 HB3 ASP 30 HB1 ASP 30 -8.455 1.324 -0.955
241 H LEU 31 HN LEU 31 -8.723 1.755 1.634
242 HA LEU 31 HA LEU 31 -10.624 -0.269 2.174
243 HB2 LEU 31 HB2 LEU 31 -8.200 -0.307 2.816
244 HB3 LEU 31 HB1 LEU 31 -8.557 0.892 4.044
245 HG LEU 31 HG LEU 31 -10.082 -0.726 5.140
246 HD11 LEU 31 HD11 LEU 31 -10.677 -2.129 3.271
247 HD12 LEU 31 HD12 LEU 31 -9.886 -3.107 4.507
248 HD13 LEU 31 HD13 LEU 31 -8.996 -2.623 3.064
249 HD21 LEU 31 HD21 LEU 31 -7.794 -0.444 5.895
250 HD22 LEU 31 HD22 LEU 31 -7.243 -1.638 4.719
251 HD23 LEU 31 HD23 LEU 31 -8.294 -2.128 6.050
252 H ALA 32 HN ALA 32 -9.948 2.828 3.770
253 HA ALA 32 HA ALA 32 -11.912 2.612 5.768
254 HB1 ALA 32 HB1 ALA 32 -10.062 4.215 5.852
255 HB2 ALA 32 HB2 ALA 32 -11.625 5.005 6.061
256 HB3 ALA 32 HB3 ALA 32 -10.786 5.105 4.513
257 H ASP 33 HN ASP 33 -11.964 3.906 2.514
258 HA ASP 33 HA ASP 33 -14.550 5.030 2.602
259 HB2 ASP 33 HB2 ASP 33 -12.833 5.548 0.870
260 HB3 ASP 33 HB1 ASP 33 -13.071 3.939 0.197
261 H TYR 34 HN TYR 34 -13.369 1.815 2.151
262 HA TYR 34 HA TYR 34 -16.055 0.833 1.485
263 HB2 TYR 34 HB2 TYR 34 -14.190 0.218 -0.035
264 HB3 TYR 34 HB1 TYR 34 -13.393 -0.589 1.307
265 HD1 TYR 34 HD1 TYR 34 -16.645 -0.603 -0.526
266 HD2 TYR 34 HD2 TYR 34 -13.713 -2.854 1.564
267 HE1 TYR 34 HE1 TYR 34 -17.870 -2.664 -1.039
268 HE2 TYR 34 HE2 TYR 34 -14.922 -4.924 1.049
269 HH TYR 34 HH TYR 34 -17.278 -5.593 0.501
270 HN1 NH2 35 HN1 NH2 35 -16.607 1.248 3.745
271 HN2 NH2 35 HN2 NH2 35 -16.214 0.063 4.938