Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639587 | 6gwx RC | 34295 | 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 15.910 -1.850 3.515
2 H2 ACE 0 HA2 ACE 0 14.358 -1.990 2.692
3 H3 ACE 0 HA3 ACE 0 15.675 -3.064 2.224
4 HA PRO 1 HA PRO 1 13.474 -4.771 1.764
5 HB2 PRO 1 HB2 PRO 1 12.440 -6.762 3.759
6 HB3 PRO 1 HB1 PRO 1 12.710 -6.964 2.017
7 HG2 PRO 1 HG2 PRO 1 14.395 -7.972 3.802
8 HG3 PRO 1 HG1 PRO 1 14.955 -7.305 2.256
9 HD2 PRO 1 HD2 PRO 1 15.245 -6.195 4.981
10 HD3 PRO 1 HD1 PRO 1 16.230 -5.905 3.534
11 HA PRO 2 HA PRO 2 10.291 -2.337 3.839
12 HB2 PRO 2 HB2 PRO 2 9.296 -1.204 1.575
13 HB3 PRO 2 HB1 PRO 2 10.775 -0.628 2.368
14 HG2 PRO 2 HG2 PRO 2 10.455 -2.204 -0.100
15 HG3 PRO 2 HG1 PRO 2 11.727 -1.062 0.364
16 HD2 PRO 2 HD2 PRO 2 11.898 -3.863 0.446
17 HD3 PRO 2 HD1 PRO 2 13.028 -2.718 1.194
18 H LYS 3 HN LYS 3 8.112 -2.658 4.139
19 HA LYS 3 HA LYS 3 7.105 -5.124 2.972
20 HB2 LYS 3 HB2 LYS 3 5.397 -5.046 4.720
21 HB3 LYS 3 HB1 LYS 3 6.999 -4.846 5.414
22 HG2 LYS 3 HG2 LYS 3 6.646 -2.473 5.642
23 HG3 LYS 3 HG1 LYS 3 5.085 -2.599 4.834
24 HD2 LYS 3 HD2 LYS 3 4.284 -4.051 6.651
25 HD3 LYS 3 HD1 LYS 3 5.840 -3.868 7.464
26 HE2 LYS 3 HE2 LYS 3 5.476 -1.457 7.614
27 HE3 LYS 3 HE1 LYS 3 3.925 -1.638 6.802
28 HZ1 LYS 3 HZ1 LYS 3 3.160 -2.996 8.649
29 HZ2 LYS 3 HZ2 LYS 3 3.659 -1.473 9.191
30 HZ3 LYS 3 HZ3 LYS 3 4.652 -2.816 9.426
31 H LYS 4 HN LYS 4 5.586 -5.231 1.464
32 HA LYS 4 HA LYS 4 4.334 -2.812 0.499
33 HB2 LYS 4 HB2 LYS 4 5.073 -4.509 -1.119
34 HB3 LYS 4 HB1 LYS 4 4.017 -5.703 -0.368
35 HG2 LYS 4 HG2 LYS 4 2.062 -4.340 -1.013
36 HG3 LYS 4 HG1 LYS 4 3.146 -3.214 -1.832
37 HD2 LYS 4 HD2 LYS 4 3.886 -4.984 -3.327
38 HD3 LYS 4 HD1 LYS 4 2.863 -6.147 -2.481
39 HE2 LYS 4 HE2 LYS 4 1.860 -3.696 -3.931
40 HE3 LYS 4 HE1 LYS 4 1.860 -5.329 -4.594
41 HZ1 LYS 4 HZ1 LYS 4 0.407 -4.490 -2.143
42 HZ2 LYS 4 HZ2 LYS 4 0.360 -6.023 -2.855
43 HZ3 LYS 4 HZ3 LYS 4 -0.294 -4.691 -3.667
44 HA PRO 5 HA PRO 5 0.884 -3.297 3.318
45 HB2 PRO 5 HB2 PRO 5 -0.781 -1.530 2.007
46 HB3 PRO 5 HB1 PRO 5 0.458 -1.051 3.183
47 HG2 PRO 5 HG2 PRO 5 0.575 -1.034 0.211
48 HG3 PRO 5 HG1 PRO 5 1.177 0.165 1.374
49 HD2 PRO 5 HD2 PRO 5 2.844 -1.560 0.188
50 HD3 PRO 5 HD1 PRO 5 3.066 -1.071 1.883
51 H LYS 6 HN LYS 6 -1.115 -4.296 3.294
52 HA LYS 6 HA LYS 6 -1.570 -6.100 1.139
53 HB2 LYS 6 HB2 LYS 6 -3.137 -5.471 3.638
54 HB3 LYS 6 HB1 LYS 6 -3.594 -6.735 2.501
55 HG2 LYS 6 HG2 LYS 6 -1.500 -7.883 2.898
56 HG3 LYS 6 HG1 LYS 6 -0.979 -6.595 3.985
57 HD2 LYS 6 HD2 LYS 6 -2.728 -7.119 5.536
58 HD3 LYS 6 HD1 LYS 6 -3.442 -8.275 4.410
59 HE2 LYS 6 HE2 LYS 6 -0.711 -8.511 5.671
60 HE3 LYS 6 HE1 LYS 6 -2.155 -9.384 6.185
61 HZ1 LYS 6 HZ1 LYS 6 -0.800 -10.766 4.773
62 HZ2 LYS 6 HZ2 LYS 6 -0.826 -9.609 3.540
63 HZ3 LYS 6 HZ3 LYS 6 -2.251 -10.404 3.980
64 H LYS 7 HN LYS 7 -2.798 -5.875 -0.571
65 HA LYS 7 HA LYS 7 -4.163 -3.375 -1.027
66 HB2 LYS 7 HB2 LYS 7 -2.786 -4.401 -2.797
67 HB3 LYS 7 HB1 LYS 7 -3.838 -5.809 -2.795
68 HG2 LYS 7 HG2 LYS 7 -5.719 -4.378 -3.504
69 HG3 LYS 7 HG1 LYS 7 -4.602 -3.006 -3.596
70 HD2 LYS 7 HD2 LYS 7 -4.917 -3.967 -5.803
71 HD3 LYS 7 HD1 LYS 7 -3.261 -4.238 -5.259
72 HE2 LYS 7 HE2 LYS 7 -3.864 -6.528 -4.597
73 HE3 LYS 7 HE1 LYS 7 -5.511 -6.251 -5.162
74 HZ1 LYS 7 HZ1 LYS 7 -4.659 -5.921 -7.389
75 HZ2 LYS 7 HZ2 LYS 7 -4.182 -7.434 -6.797
76 HZ3 LYS 7 HZ3 LYS 7 -3.072 -6.159 -6.849
77 HA PRO 8 HA PRO 8 -8.119 -5.187 0.184
78 HB2 PRO 8 HB2 PRO 8 -9.168 -2.528 -0.415
79 HB3 PRO 8 HB1 PRO 8 -9.117 -3.376 1.137
80 HG2 PRO 8 HG2 PRO 8 -7.625 -1.196 0.596
81 HG3 PRO 8 HG1 PRO 8 -7.146 -2.465 1.736
82 HD2 PRO 8 HD2 PRO 8 -6.202 -1.982 -1.048
83 HD3 PRO 8 HD1 PRO 8 -5.305 -2.561 0.378
84 H GLY 9 HN GLY 9 -9.554 -6.142 -1.158
85 HA2 GLY 9 HA2 GLY 9 -9.292 -5.612 -3.989
86 HA3 GLY 9 HA1 GLY 9 -10.207 -6.916 -3.252
87 H ASP 10 HN ASP 10 -12.059 -6.634 -4.418
88 HA ASP 10 HA ASP 10 -13.293 -4.044 -4.694
89 HB2 ASP 10 HB2 ASP 10 -13.471 -5.659 -6.513
90 HB3 ASP 10 HB1 ASP 10 -14.275 -6.806 -5.448
91 H ASN 11 HN ASN 11 -13.323 -6.541 -2.401
92 HA ASN 11 HA ASN 11 -15.983 -5.942 -1.391
93 HB2 ASN 11 HB2 ASN 11 -13.862 -7.833 -0.350
94 HB3 ASN 11 HB1 ASN 11 -15.477 -7.657 0.324
95 HD21 ASN 11 HD21 ASN 11 -16.765 -7.307 -2.231
96 HD22 ASN 11 HD22 ASN 11 -16.769 -8.853 -3.003
97 H ALA 12 HN ALA 12 -13.810 -3.928 -1.371
98 HA ALA 12 HA ALA 12 -14.028 -3.204 1.461
99 HB1 ALA 12 HB1 ALA 12 -11.547 -2.923 -0.230
100 HB2 ALA 12 HB2 ALA 12 -11.767 -4.028 1.127
101 HB3 ALA 12 HB3 ALA 12 -11.751 -2.286 1.401
102 H THR 13 HN THR 13 -13.878 -0.886 1.827
103 HA THR 13 HA THR 13 -15.352 0.521 -0.189
104 HB THR 13 HB THR 13 -15.317 2.400 1.447
105 HG1 THR 13 HG1 THR 13 -14.436 1.942 3.524
106 HG21 THR 13 HG21 THR 13 -17.093 0.708 1.464
107 HG22 THR 13 HG22 THR 13 -16.755 1.324 3.081
108 HG23 THR 13 HG23 THR 13 -16.150 -0.260 2.598
109 HA PRO 14 HA PRO 14 -12.102 2.712 -2.307
110 HB2 PRO 14 HB2 PRO 14 -13.806 5.119 -1.830
111 HB3 PRO 14 HB1 PRO 14 -13.098 4.522 -3.346
112 HG2 PRO 14 HG2 PRO 14 -15.657 4.194 -2.899
113 HG3 PRO 14 HG1 PRO 14 -14.695 2.876 -3.605
114 HD2 PRO 14 HD2 PRO 14 -15.695 3.171 -0.798
115 HD3 PRO 14 HD1 PRO 14 -15.593 1.718 -1.811
116 H GLU 15 HN GLU 15 -13.460 4.042 0.643
117 HA GLU 15 HA GLU 15 -11.407 5.843 1.291
118 HB2 GLU 15 HB2 GLU 15 -13.600 5.865 2.389
119 HB3 GLU 15 HB1 GLU 15 -13.262 4.303 3.115
120 HG2 GLU 15 HG2 GLU 15 -11.485 5.257 4.431
121 HG3 GLU 15 HG1 GLU 15 -11.713 6.818 3.651
122 H LYS 16 HN LYS 16 -11.678 2.378 1.656
123 HA LYS 16 HA LYS 16 -9.400 2.200 3.403
124 HB2 LYS 16 HB2 LYS 16 -11.307 0.570 3.447
125 HB3 LYS 16 HB1 LYS 16 -10.775 -0.017 1.874
126 HG2 LYS 16 HG2 LYS 16 -10.006 -1.458 3.699
127 HG3 LYS 16 HG1 LYS 16 -8.658 -0.731 2.826
128 HD2 LYS 16 HD2 LYS 16 -8.295 -0.700 5.251
129 HD3 LYS 16 HD1 LYS 16 -8.381 0.929 4.585
130 HE2 LYS 16 HE2 LYS 16 -10.765 1.024 5.308
131 HE3 LYS 16 HE1 LYS 16 -10.546 -0.542 6.087
132 HZ1 LYS 16 HZ1 LYS 16 -9.045 1.935 6.735
133 HZ2 LYS 16 HZ2 LYS 16 -8.838 0.435 7.486
134 HZ3 LYS 16 HZ3 LYS 16 -10.298 1.271 7.659
135 H LEU 17 HN LEU 17 -10.103 1.895 -0.007
136 HA LEU 17 HA LEU 17 -7.551 1.016 -0.836
137 HB2 LEU 17 HB2 LEU 17 -9.839 2.364 -2.189
138 HB3 LEU 17 HB1 LEU 17 -8.286 2.339 -3.002
139 HG LEU 17 HG LEU 17 -9.609 0.531 -3.838
140 HD11 LEU 17 HD11 LEU 17 -7.549 -0.554 -1.927
141 HD12 LEU 17 HD12 LEU 17 -7.230 0.087 -3.537
142 HD13 LEU 17 HD13 LEU 17 -8.193 -1.376 -3.347
143 HD21 LEU 17 HD21 LEU 17 -10.500 -1.240 -2.432
144 HD22 LEU 17 HD22 LEU 17 -11.181 0.323 -1.982
145 HD23 LEU 17 HD23 LEU 17 -9.917 -0.407 -0.991
146 H ALA 18 HN ALA 18 -8.927 4.185 -0.214
147 HA ALA 18 HA ALA 18 -6.862 5.793 -1.165
148 HB1 ALA 18 HB1 ALA 18 -9.038 6.648 -0.442
149 HB2 ALA 18 HB2 ALA 18 -7.715 7.489 0.365
150 HB3 ALA 18 HB3 ALA 18 -8.634 6.255 1.228
151 H ALA 19 HN ALA 19 -7.329 4.248 1.965
152 HA ALA 19 HA ALA 19 -4.996 5.174 3.209
153 HB1 ALA 19 HB1 ALA 19 -5.302 3.334 4.757
154 HB2 ALA 19 HB2 ALA 19 -6.433 2.566 3.644
155 HB3 ALA 19 HB3 ALA 19 -6.851 4.103 4.402
156 H TYR 20 HN TYR 20 -5.640 2.319 1.228
157 HA TYR 20 HA TYR 20 -3.096 1.142 1.469
158 HB2 TYR 20 HB2 TYR 20 -4.909 -0.176 0.606
159 HB3 TYR 20 HB1 TYR 20 -5.154 0.946 -0.726
160 HD1 TYR 20 HD1 TYR 20 -4.188 0.485 -2.785
161 HD2 TYR 20 HD2 TYR 20 -2.544 -1.291 0.706
162 HE1 TYR 20 HE1 TYR 20 -2.655 -0.838 -4.187
163 HE2 TYR 20 HE2 TYR 20 -1.007 -2.619 -0.682
164 HH TYR 20 HH TYR 20 -0.558 -2.023 -4.025
165 H GLU 21 HN GLU 21 -4.423 3.374 -0.944
166 HA GLU 21 HA GLU 21 -2.166 3.436 -2.606
167 HB2 GLU 21 HB2 GLU 21 -4.259 5.558 -2.106
168 HB3 GLU 21 HB1 GLU 21 -3.065 5.636 -3.391
169 HG2 GLU 21 HG2 GLU 21 -4.006 3.490 -4.278
170 HG3 GLU 21 HG1 GLU 21 -5.293 3.637 -3.079
171 H LYS 22 HN LYS 22 -2.921 5.150 0.346
172 HA LYS 22 HA LYS 22 -0.776 7.011 0.127
173 HB2 LYS 22 HB2 LYS 22 -2.795 7.407 1.511
174 HB3 LYS 22 HB1 LYS 22 -2.269 6.134 2.603
175 HG2 LYS 22 HG2 LYS 22 -1.733 8.325 3.494
176 HG3 LYS 22 HG1 LYS 22 -0.268 7.414 3.141
177 HD2 LYS 22 HD2 LYS 22 -0.009 9.716 2.415
178 HD3 LYS 22 HD1 LYS 22 -0.025 8.639 1.021
179 HE2 LYS 22 HE2 LYS 22 -2.394 9.192 0.644
180 HE3 LYS 22 HE1 LYS 22 -2.344 10.294 2.018
181 HZ1 LYS 22 HZ1 LYS 22 -2.079 11.504 -0.025
182 HZ2 LYS 22 HZ2 LYS 22 -0.771 10.538 -0.488
183 HZ3 LYS 22 HZ3 LYS 22 -0.630 11.569 0.846
184 H GLU 23 HN GLU 23 -1.224 3.904 1.765
185 HA GLU 23 HA GLU 23 1.383 3.836 2.898
186 HB2 GLU 23 HB2 GLU 23 -0.583 1.621 2.287
187 HB3 GLU 23 HB1 GLU 23 0.921 1.383 3.169
188 HG2 GLU 23 HG2 GLU 23 0.143 2.924 4.904
189 HG3 GLU 23 HG1 GLU 23 -1.369 3.149 4.017
190 H LEU 24 HN LEU 24 -0.018 2.835 -0.137
191 HA LEU 24 HA LEU 24 2.163 1.361 -1.148
192 HB2 LEU 24 HB2 LEU 24 -0.175 1.428 -2.089
193 HB3 LEU 24 HB1 LEU 24 0.196 3.016 -2.734
194 HG LEU 24 HG LEU 24 2.005 2.028 -4.097
195 HD11 LEU 24 HD11 LEU 24 2.499 0.101 -2.675
196 HD12 LEU 24 HD12 LEU 24 2.162 -0.386 -4.335
197 HD13 LEU 24 HD13 LEU 24 0.936 -0.604 -3.087
198 HD21 LEU 24 HD21 LEU 24 -0.248 2.349 -5.010
199 HD22 LEU 24 HD22 LEU 24 -0.683 0.721 -4.492
200 HD23 LEU 24 HD23 LEU 24 0.560 0.954 -5.721
201 H ALA 25 HN ALA 25 1.307 4.777 -1.306
202 HA ALA 25 HA ALA 25 3.404 5.656 -2.929
203 HB1 ALA 25 HB1 ALA 25 2.033 7.141 -0.695
204 HB2 ALA 25 HB2 ALA 25 1.451 7.015 -2.355
205 HB3 ALA 25 HB3 ALA 25 2.959 7.862 -2.012
206 H ALA 26 HN ALA 26 3.238 5.055 0.532
207 HA ALA 26 HA ALA 26 5.835 6.077 1.116
208 HB1 ALA 26 HB1 ALA 26 5.567 4.944 3.270
209 HB2 ALA 26 HB2 ALA 26 4.123 4.135 2.659
210 HB3 ALA 26 HB3 ALA 26 4.140 5.888 2.849
211 H TYR 27 HN TYR 27 4.495 2.887 0.442
212 HA TYR 27 HA TYR 27 6.844 1.412 0.837
213 HB2 TYR 27 HB2 TYR 27 4.791 0.216 0.735
214 HB3 TYR 27 HB1 TYR 27 4.401 0.887 -0.850
215 HD1 TYR 27 HD1 TYR 27 6.808 -1.323 0.901
216 HD2 TYR 27 HD2 TYR 27 5.020 -0.245 -2.793
217 HE1 TYR 27 HE1 TYR 27 7.886 -3.258 -0.172
218 HE2 TYR 27 HE2 TYR 27 6.078 -2.181 -3.882
219 HH TYR 27 HH TYR 27 8.075 -3.640 -3.515
220 H GLU 28 HN GLU 28 5.465 2.837 -2.117
221 HA GLU 28 HA GLU 28 7.450 1.885 -3.865
222 HB2 GLU 28 HB2 GLU 28 5.693 4.339 -4.065
223 HB3 GLU 28 HB1 GLU 28 6.720 3.756 -5.367
224 HG2 GLU 28 HG2 GLU 28 5.478 1.641 -5.395
225 HG3 GLU 28 HG1 GLU 28 4.421 2.251 -4.116
226 H LYS 29 HN LYS 29 7.343 4.637 -1.734
227 HA LYS 29 HA LYS 29 9.605 6.004 -2.737
228 HB2 LYS 29 HB2 LYS 29 8.000 7.061 -1.210
229 HB3 LYS 29 HB1 LYS 29 8.457 5.934 0.061
230 HG2 LYS 29 HG2 LYS 29 10.720 6.863 0.072
231 HG3 LYS 29 HG1 LYS 29 10.264 7.998 -1.199
232 HD2 LYS 29 HD2 LYS 29 9.044 7.861 1.562
233 HD3 LYS 29 HD1 LYS 29 10.229 9.046 1.020
234 HE2 LYS 29 HE2 LYS 29 8.649 9.842 -0.673
235 HE3 LYS 29 HE1 LYS 29 7.463 8.662 -0.119
236 HZ1 LYS 29 HZ1 LYS 29 7.407 9.746 2.017
237 HZ2 LYS 29 HZ2 LYS 29 7.067 10.867 0.800
238 HZ3 LYS 29 HZ3 LYS 29 8.590 10.854 1.533
239 H GLU 30 HN GLU 30 9.213 3.744 -0.018
240 HA GLU 30 HA GLU 30 11.960 3.541 0.581
241 HB2 GLU 30 HB2 GLU 30 9.770 1.529 1.121
242 HB3 GLU 30 HB1 GLU 30 11.342 1.582 1.903
243 HG2 GLU 30 HG2 GLU 30 9.135 3.606 2.122
244 HG3 GLU 30 HG1 GLU 30 9.724 2.520 3.379
245 H LEU 31 HN LEU 31 9.871 1.860 -1.642
246 HA LEU 31 HA LEU 31 11.582 -0.272 -2.315
247 HB2 LEU 31 HB2 LEU 31 9.150 -0.112 -2.880
248 HB3 LEU 31 HB1 LEU 31 9.552 1.102 -4.080
249 HG LEU 31 HG LEU 31 10.924 -0.573 -5.278
250 HD11 LEU 31 HD11 LEU 31 11.477 -2.006 -3.396
251 HD12 LEU 31 HD12 LEU 31 10.689 -2.934 -4.672
252 HD13 LEU 31 HD13 LEU 31 9.785 -2.468 -3.231
253 HD21 LEU 31 HD21 LEU 31 8.057 -1.348 -4.765
254 HD22 LEU 31 HD22 LEU 31 9.030 -1.867 -6.141
255 HD23 LEU 31 HD23 LEU 31 8.625 -0.163 -5.942
256 H ALA 32 HN ALA 32 11.218 2.994 -3.597
257 HA ALA 32 HA ALA 32 13.041 2.785 -5.718
258 HB1 ALA 32 HB1 ALA 32 11.432 4.620 -5.447
259 HB2 ALA 32 HB2 ALA 32 13.076 5.201 -5.704
260 HB3 ALA 32 HB3 ALA 32 12.375 5.225 -4.086
261 H ALA 33 HN ALA 33 13.475 3.410 -2.300
262 HA ALA 33 HA ALA 33 16.255 4.059 -2.492
263 HB1 ALA 33 HB1 ALA 33 14.633 3.212 -0.102
264 HB2 ALA 33 HB2 ALA 33 14.842 4.869 -0.665
265 HB3 ALA 33 HB3 ALA 33 16.229 3.959 -0.066
266 H TYR 34 HN TYR 34 14.391 1.151 -2.138
267 HA TYR 34 HA TYR 34 16.414 -0.573 -1.183
268 HB2 TYR 34 HB2 TYR 34 14.042 -1.167 -1.099
269 HB3 TYR 34 HB1 TYR 34 13.959 -1.160 -2.856
270 HD1 TYR 34 HD1 TYR 34 15.547 -2.880 0.018
271 HD2 TYR 34 HD2 TYR 34 14.425 -3.102 -4.075
272 HE1 TYR 34 HE1 TYR 34 16.108 -5.279 -0.001
273 HE2 TYR 34 HE2 TYR 34 14.983 -5.498 -4.107
274 HH TYR 34 HH TYR 34 16.449 -7.060 -2.836
275 HN1 NH2 35 HN1 NH2 35 15.534 0.528 -4.377
276 HN2 NH2 35 HN2 NH2 35 16.820 -0.252 -5.226
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 15.651 -0.982 2.849
2 H2 ACE 0 HA2 ACE 0 14.033 -1.133 2.172
3 H3 ACE 0 HA3 ACE 0 15.255 -2.322 1.735
4 HA PRO 1 HA PRO 1 13.485 -4.323 1.667
5 HB2 PRO 1 HB2 PRO 1 12.981 -6.293 3.872
6 HB3 PRO 1 HB1 PRO 1 13.347 -6.596 2.162
7 HG2 PRO 1 HG2 PRO 1 15.192 -6.956 4.019
8 HG3 PRO 1 HG1 PRO 1 15.602 -6.266 2.437
9 HD2 PRO 1 HD2 PRO 1 15.378 -4.906 5.076
10 HD3 PRO 1 HD1 PRO 1 16.434 -4.534 3.700
11 HA PRO 2 HA PRO 2 9.973 -2.416 3.763
12 HB2 PRO 2 HB2 PRO 2 8.844 -1.440 1.444
13 HB3 PRO 2 HB1 PRO 2 10.090 -0.606 2.384
14 HG2 PRO 2 HG2 PRO 2 10.293 -1.842 -0.216
15 HG3 PRO 2 HG1 PRO 2 11.435 -0.780 0.622
16 HD2 PRO 2 HD2 PRO 2 11.547 -3.651 0.311
17 HD3 PRO 2 HD1 PRO 2 12.754 -2.559 1.018
18 H LYS 3 HN LYS 3 7.825 -2.952 4.004
19 HA LYS 3 HA LYS 3 7.051 -5.445 2.686
20 HB2 LYS 3 HB2 LYS 3 5.772 -4.038 5.041
21 HB3 LYS 3 HB1 LYS 3 5.367 -5.645 4.455
22 HG2 LYS 3 HG2 LYS 3 7.979 -4.785 5.683
23 HG3 LYS 3 HG1 LYS 3 6.742 -5.791 6.434
24 HD2 LYS 3 HD2 LYS 3 8.275 -6.525 3.940
25 HD3 LYS 3 HD1 LYS 3 8.678 -7.078 5.565
26 HE2 LYS 3 HE2 LYS 3 6.453 -8.130 5.725
27 HE3 LYS 3 HE1 LYS 3 6.118 -7.629 4.068
28 HZ1 LYS 3 HZ1 LYS 3 6.861 -9.913 4.144
29 HZ2 LYS 3 HZ2 LYS 3 8.292 -9.460 4.923
30 HZ3 LYS 3 HZ3 LYS 3 8.003 -8.963 3.333
31 H LYS 4 HN LYS 4 5.396 -5.596 1.294
32 HA LYS 4 HA LYS 4 4.055 -3.146 0.486
33 HB2 LYS 4 HB2 LYS 4 4.997 -4.614 -1.257
34 HB3 LYS 4 HB1 LYS 4 3.995 -5.945 -0.685
35 HG2 LYS 4 HG2 LYS 4 1.981 -4.667 -1.317
36 HG3 LYS 4 HG1 LYS 4 3.020 -3.389 -1.959
37 HD2 LYS 4 HD2 LYS 4 3.943 -4.881 -3.596
38 HD3 LYS 4 HD1 LYS 4 3.110 -6.261 -2.882
39 HE2 LYS 4 HE2 LYS 4 1.922 -5.581 -4.863
40 HE3 LYS 4 HE1 LYS 4 0.942 -5.182 -3.452
41 HZ1 LYS 4 HZ1 LYS 4 1.644 -2.894 -3.636
42 HZ2 LYS 4 HZ2 LYS 4 0.972 -3.401 -5.099
43 HZ3 LYS 4 HZ3 LYS 4 2.649 -3.264 -4.944
44 HA PRO 5 HA PRO 5 0.529 -4.395 2.943
45 HB2 PRO 5 HB2 PRO 5 -1.063 -2.313 1.756
46 HB3 PRO 5 HB1 PRO 5 -0.318 -2.338 3.361
47 HG2 PRO 5 HG2 PRO 5 0.414 -0.660 1.318
48 HG3 PRO 5 HG1 PRO 5 1.432 -1.091 2.705
49 HD2 PRO 5 HD2 PRO 5 1.526 -2.102 -0.089
50 HD3 PRO 5 HD1 PRO 5 2.846 -1.845 1.072
51 H LYS 6 HN LYS 6 -1.635 -5.172 2.651
52 HA LYS 6 HA LYS 6 -2.018 -6.541 0.160
53 HB2 LYS 6 HB2 LYS 6 -3.801 -6.323 2.593
54 HB3 LYS 6 HB1 LYS 6 -4.070 -7.418 1.243
55 HG2 LYS 6 HG2 LYS 6 -1.672 -7.458 3.061
56 HG3 LYS 6 HG1 LYS 6 -3.067 -8.529 3.186
57 HD2 LYS 6 HD2 LYS 6 -2.594 -9.437 0.982
58 HD3 LYS 6 HD1 LYS 6 -1.243 -8.317 0.792
59 HE2 LYS 6 HE2 LYS 6 -1.470 -10.492 2.868
60 HE3 LYS 6 HE1 LYS 6 -0.464 -10.542 1.423
61 HZ1 LYS 6 HZ1 LYS 6 0.843 -9.939 3.337
62 HZ2 LYS 6 HZ2 LYS 6 -0.178 -8.641 3.686
63 HZ3 LYS 6 HZ3 LYS 6 0.761 -8.624 2.283
64 H LYS 7 HN LYS 7 -3.104 -5.840 -1.543
65 HA LYS 7 HA LYS 7 -4.472 -3.307 -1.486
66 HB2 LYS 7 HB2 LYS 7 -3.122 -4.001 -3.444
67 HB3 LYS 7 HB1 LYS 7 -4.211 -5.355 -3.708
68 HG2 LYS 7 HG2 LYS 7 -6.055 -3.748 -4.101
69 HG3 LYS 7 HG1 LYS 7 -4.882 -2.426 -3.964
70 HD2 LYS 7 HD2 LYS 7 -3.627 -3.307 -5.846
71 HD3 LYS 7 HD1 LYS 7 -4.713 -4.693 -5.956
72 HE2 LYS 7 HE2 LYS 7 -5.339 -3.124 -7.649
73 HE3 LYS 7 HE1 LYS 7 -6.581 -3.102 -6.402
74 HZ1 LYS 7 HZ1 LYS 7 -4.413 -1.112 -6.759
75 HZ2 LYS 7 HZ2 LYS 7 -5.526 -1.100 -5.489
76 HZ3 LYS 7 HZ3 LYS 7 -6.057 -0.875 -7.076
77 HA PRO 8 HA PRO 8 -8.362 -5.287 -0.365
78 HB2 PRO 8 HB2 PRO 8 -9.447 -2.578 -0.713
79 HB3 PRO 8 HB1 PRO 8 -9.421 -3.599 0.734
80 HG2 PRO 8 HG2 PRO 8 -7.905 -1.396 0.490
81 HG3 PRO 8 HG1 PRO 8 -7.416 -2.817 1.432
82 HD2 PRO 8 HD2 PRO 8 -6.495 -1.933 -1.259
83 HD3 PRO 8 HD1 PRO 8 -5.595 -2.732 0.051
84 H GLY 9 HN GLY 9 -8.946 -6.470 -2.117
85 HA2 GLY 9 HA2 GLY 9 -9.510 -5.206 -4.651
86 HA3 GLY 9 HA1 GLY 9 -9.623 -6.922 -4.297
87 H ASP 10 HN ASP 10 -11.316 -6.677 -2.045
88 HA ASP 10 HA ASP 10 -13.760 -5.426 -3.015
89 HB2 ASP 10 HB2 ASP 10 -13.550 -7.823 -3.933
90 HB3 ASP 10 HB1 ASP 10 -13.762 -8.354 -2.270
91 H ASN 11 HN ASN 11 -15.553 -6.054 -1.207
92 HA ASN 11 HA ASN 11 -16.233 -5.814 0.966
93 HB2 ASN 11 HB2 ASN 11 -13.559 -7.113 1.535
94 HB3 ASN 11 HB1 ASN 11 -14.808 -6.842 2.743
95 HD21 ASN 11 HD21 ASN 11 -16.677 -8.123 2.700
96 HD22 ASN 11 HD22 ASN 11 -16.771 -9.569 1.759
97 H ALA 12 HN ALA 12 -14.650 -3.655 -0.341
98 HA ALA 12 HA ALA 12 -14.032 -2.119 2.026
99 HB1 ALA 12 HB1 ALA 12 -11.929 -3.279 1.641
100 HB2 ALA 12 HB2 ALA 12 -11.762 -1.552 1.327
101 HB3 ALA 12 HB3 ALA 12 -11.894 -2.686 -0.019
102 H THR 13 HN THR 13 -13.980 0.079 1.682
103 HA THR 13 HA THR 13 -15.354 0.967 -0.698
104 HB THR 13 HB THR 13 -15.387 3.163 0.473
105 HG1 THR 13 HG1 THR 13 -14.687 3.066 2.736
106 HG21 THR 13 HG21 THR 13 -16.911 2.482 2.252
107 HG22 THR 13 HG22 THR 13 -16.322 0.825 2.129
108 HG23 THR 13 HG23 THR 13 -17.196 1.551 0.782
109 HA PRO 14 HA PRO 14 -11.939 2.815 -2.941
110 HB2 PRO 14 HB2 PRO 14 -13.497 5.361 -2.757
111 HB3 PRO 14 HB1 PRO 14 -12.781 4.581 -4.182
112 HG2 PRO 14 HG2 PRO 14 -15.370 4.455 -3.799
113 HG3 PRO 14 HG1 PRO 14 -14.472 3.025 -4.354
114 HD2 PRO 14 HD2 PRO 14 -15.550 3.619 -1.628
115 HD3 PRO 14 HD1 PRO 14 -15.486 2.079 -2.503
116 H GLU 15 HN GLU 15 -13.297 4.491 -0.163
117 HA GLU 15 HA GLU 15 -11.124 6.199 0.366
118 HB2 GLU 15 HB2 GLU 15 -13.377 6.477 1.358
119 HB3 GLU 15 HB1 GLU 15 -13.110 5.032 2.320
120 HG2 GLU 15 HG2 GLU 15 -11.183 6.148 3.378
121 HG3 GLU 15 HG1 GLU 15 -11.588 7.611 2.490
122 H LYS 16 HN LYS 16 -11.770 2.853 1.202
123 HA LYS 16 HA LYS 16 -9.588 2.573 3.014
124 HB2 LYS 16 HB2 LYS 16 -11.502 1.035 3.043
125 HB3 LYS 16 HB1 LYS 16 -11.100 0.487 1.420
126 HG2 LYS 16 HG2 LYS 16 -10.355 -1.152 3.008
127 HG3 LYS 16 HG1 LYS 16 -8.943 -0.367 2.300
128 HD2 LYS 16 HD2 LYS 16 -8.732 1.053 4.272
129 HD3 LYS 16 HD1 LYS 16 -10.163 0.303 4.978
130 HE2 LYS 16 HE2 LYS 16 -7.596 -1.120 4.282
131 HE3 LYS 16 HE1 LYS 16 -8.076 -0.614 5.900
132 HZ1 LYS 16 HZ1 LYS 16 -9.489 -2.596 4.198
133 HZ2 LYS 16 HZ2 LYS 16 -10.011 -2.076 5.719
134 HZ3 LYS 16 HZ3 LYS 16 -8.561 -2.936 5.570
135 H LEU 17 HN LEU 17 -10.054 2.219 -0.430
136 HA LEU 17 HA LEU 17 -7.508 1.143 -1.023
137 HB2 LEU 17 HB2 LEU 17 -9.618 2.528 -2.607
138 HB3 LEU 17 HB1 LEU 17 -8.014 2.378 -3.303
139 HG LEU 17 HG LEU 17 -9.403 0.591 -4.121
140 HD11 LEU 17 HD11 LEU 17 -8.094 -1.351 -3.436
141 HD12 LEU 17 HD12 LEU 17 -7.445 -0.435 -2.078
142 HD13 LEU 17 HD13 LEU 17 -7.071 0.054 -3.728
143 HD21 LEU 17 HD21 LEU 17 -9.858 -0.181 -1.241
144 HD22 LEU 17 HD22 LEU 17 -10.416 -1.070 -2.657
145 HD23 LEU 17 HD23 LEU 17 -11.053 0.538 -2.319
146 H ALA 18 HN ALA 18 -8.716 4.422 -0.623
147 HA ALA 18 HA ALA 18 -6.443 5.815 -1.469
148 HB1 ALA 18 HB1 ALA 18 -8.373 6.561 0.720
149 HB2 ALA 18 HB2 ALA 18 -8.593 6.886 -0.999
150 HB3 ALA 18 HB3 ALA 18 -7.276 7.659 -0.118
151 H ALA 19 HN ALA 19 -7.323 4.436 1.648
152 HA ALA 19 HA ALA 19 -5.069 5.223 3.105
153 HB1 ALA 19 HB1 ALA 19 -7.100 4.283 4.113
154 HB2 ALA 19 HB2 ALA 19 -5.642 3.444 4.641
155 HB3 ALA 19 HB3 ALA 19 -6.692 2.709 3.428
156 H TYR 20 HN TYR 20 -5.686 2.348 1.126
157 HA TYR 20 HA TYR 20 -3.204 1.108 1.546
158 HB2 TYR 20 HB2 TYR 20 -4.985 -0.159 0.530
159 HB3 TYR 20 HB1 TYR 20 -5.079 0.968 -0.818
160 HD1 TYR 20 HD1 TYR 20 -2.842 -1.495 0.809
161 HD2 TYR 20 HD2 TYR 20 -3.763 0.648 -2.739
162 HE1 TYR 20 HE1 TYR 20 -1.202 -2.850 -0.426
163 HE2 TYR 20 HE2 TYR 20 -2.126 -0.704 -3.991
164 HH TYR 20 HH TYR 20 -0.790 -3.552 -2.771
165 H GLU 21 HN GLU 21 -4.295 3.405 -0.918
166 HA GLU 21 HA GLU 21 -1.938 3.435 -2.425
167 HB2 GLU 21 HB2 GLU 21 -4.029 5.578 -2.039
168 HB3 GLU 21 HB1 GLU 21 -2.718 5.702 -3.197
169 HG2 GLU 21 HG2 GLU 21 -3.570 3.588 -4.252
170 HG3 GLU 21 HG1 GLU 21 -4.972 3.705 -3.186
171 H LYS 22 HN LYS 22 -2.800 5.121 0.528
172 HA LYS 22 HA LYS 22 -0.576 6.894 0.492
173 HB2 LYS 22 HB2 LYS 22 -2.539 7.368 1.868
174 HB3 LYS 22 HB1 LYS 22 -2.240 5.921 2.822
175 HG2 LYS 22 HG2 LYS 22 -0.140 6.869 3.629
176 HG3 LYS 22 HG1 LYS 22 -0.405 8.310 2.645
177 HD2 LYS 22 HD2 LYS 22 -2.408 8.836 3.917
178 HD3 LYS 22 HD1 LYS 22 -2.215 7.362 4.866
179 HE2 LYS 22 HE2 LYS 22 -0.299 9.692 4.782
180 HE3 LYS 22 HE1 LYS 22 -1.412 9.310 6.094
181 HZ1 LYS 22 HZ1 LYS 22 -0.231 7.241 6.457
182 HZ2 LYS 22 HZ2 LYS 22 0.835 8.548 6.566
183 HZ3 LYS 22 HZ3 LYS 22 0.826 7.581 5.183
184 H GLU 23 HN GLU 23 -1.198 3.744 1.971
185 HA GLU 23 HA GLU 23 1.360 3.443 3.145
186 HB2 GLU 23 HB2 GLU 23 -0.727 1.429 2.303
187 HB3 GLU 23 HB1 GLU 23 0.769 0.975 3.113
188 HG2 GLU 23 HG2 GLU 23 -1.344 2.813 4.223
189 HG3 GLU 23 HG1 GLU 23 -1.103 1.118 4.665
190 H LEU 24 HN LEU 24 0.021 2.712 0.007
191 HA LEU 24 HA LEU 24 2.187 1.257 -1.051
192 HB2 LEU 24 HB2 LEU 24 -0.122 1.432 -2.032
193 HB3 LEU 24 HB1 LEU 24 0.282 3.055 -2.558
194 HG LEU 24 HG LEU 24 2.097 2.138 -3.959
195 HD11 LEU 24 HD11 LEU 24 0.980 -0.538 -3.134
196 HD12 LEU 24 HD12 LEU 24 2.553 0.114 -2.676
197 HD13 LEU 24 HD13 LEU 24 2.213 -0.261 -4.364
198 HD21 LEU 24 HD21 LEU 24 0.661 1.195 -5.673
199 HD22 LEU 24 HD22 LEU 24 -0.134 2.556 -4.882
200 HD23 LEU 24 HD23 LEU 24 -0.604 0.906 -4.480
201 H ALA 25 HN ALA 25 1.430 4.703 -0.967
202 HA ALA 25 HA ALA 25 3.586 5.626 -2.493
203 HB1 ALA 25 HB1 ALA 25 2.226 6.999 -0.184
204 HB2 ALA 25 HB2 ALA 25 1.658 7.007 -1.853
205 HB3 ALA 25 HB3 ALA 25 3.191 7.777 -1.441
206 H ALA 26 HN ALA 26 3.277 4.874 0.922
207 HA ALA 26 HA ALA 26 5.853 5.716 1.713
208 HB1 ALA 26 HB1 ALA 26 4.044 5.320 3.306
209 HB2 ALA 26 HB2 ALA 26 5.469 4.365 3.707
210 HB3 ALA 26 HB3 ALA 26 4.085 3.599 2.928
211 H TYR 27 HN TYR 27 4.541 2.605 0.693
212 HA TYR 27 HA TYR 27 6.889 1.099 1.023
213 HB2 TYR 27 HB2 TYR 27 4.811 -0.059 0.841
214 HB3 TYR 27 HB1 TYR 27 4.452 0.693 -0.715
215 HD1 TYR 27 HD1 TYR 27 6.777 -1.644 0.966
216 HD2 TYR 27 HD2 TYR 27 5.094 -0.346 -2.704
217 HE1 TYR 27 HE1 TYR 27 7.838 -3.548 -0.177
218 HE2 TYR 27 HE2 TYR 27 6.135 -2.250 -3.868
219 HH TYR 27 HH TYR 27 7.652 -4.844 -2.136
220 H GLU 28 HN GLU 28 5.514 2.656 -1.879
221 HA GLU 28 HA GLU 28 7.560 1.818 -3.621
222 HB2 GLU 28 HB2 GLU 28 5.730 4.218 -3.798
223 HB3 GLU 28 HB1 GLU 28 6.802 3.703 -5.090
224 HG2 GLU 28 HG2 GLU 28 5.611 1.486 -5.054
225 HG3 GLU 28 HG1 GLU 28 4.424 2.226 -3.975
226 H LYS 29 HN LYS 29 7.346 4.464 -1.375
227 HA LYS 29 HA LYS 29 9.527 5.990 -2.315
228 HB2 LYS 29 HB2 LYS 29 7.869 6.842 -0.685
229 HB3 LYS 29 HB1 LYS 29 8.484 5.710 0.513
230 HG2 LYS 29 HG2 LYS 29 10.623 6.814 0.535
231 HG3 LYS 29 HG1 LYS 29 10.124 7.889 -0.767
232 HD2 LYS 29 HD2 LYS 29 9.970 9.130 1.249
233 HD3 LYS 29 HD1 LYS 29 8.319 8.745 0.773
234 HE2 LYS 29 HE2 LYS 29 9.821 7.014 2.706
235 HE3 LYS 29 HE1 LYS 29 9.007 8.477 3.246
236 HZ1 LYS 29 HZ1 LYS 29 6.932 7.574 2.329
237 HZ2 LYS 29 HZ2 LYS 29 7.583 6.589 3.542
238 HZ3 LYS 29 HZ3 LYS 29 7.741 6.143 1.922
239 H GLU 30 HN GLU 30 9.286 3.481 0.194
240 HA GLU 30 HA GLU 30 12.062 3.410 0.764
241 HB2 GLU 30 HB2 GLU 30 9.873 1.381 1.231
242 HB3 GLU 30 HB1 GLU 30 11.522 1.171 1.793
243 HG2 GLU 30 HG2 GLU 30 11.343 3.097 3.216
244 HG3 GLU 30 HG1 GLU 30 9.747 3.469 2.568
245 H LEU 31 HN LEU 31 10.020 1.784 -1.540
246 HA LEU 31 HA LEU 31 11.850 -0.184 -2.405
247 HB2 LEU 31 HB2 LEU 31 9.323 0.001 -2.859
248 HB3 LEU 31 HB1 LEU 31 9.762 1.098 -4.155
249 HG LEU 31 HG LEU 31 11.100 -0.700 -5.196
250 HD11 LEU 31 HD11 LEU 31 11.663 -2.000 -3.252
251 HD12 LEU 31 HD12 LEU 31 10.746 -3.013 -4.370
252 HD13 LEU 31 HD13 LEU 31 9.961 -2.341 -2.940
253 HD21 LEU 31 HD21 LEU 31 8.822 -0.330 -5.923
254 HD22 LEU 31 HD22 LEU 31 8.214 -1.353 -4.621
255 HD23 LEU 31 HD23 LEU 31 9.176 -2.058 -5.921
256 H ALA 32 HN ALA 32 11.262 3.141 -3.400
257 HA ALA 32 HA ALA 32 13.005 3.196 -5.605
258 HB1 ALA 32 HB1 ALA 32 11.318 4.914 -5.163
259 HB2 ALA 32 HB2 ALA 32 12.923 5.610 -5.382
260 HB3 ALA 32 HB3 ALA 32 12.244 5.452 -3.761
261 H ALA 33 HN ALA 33 13.511 3.557 -2.167
262 HA ALA 33 HA ALA 33 16.264 4.372 -2.461
263 HB1 ALA 33 HB1 ALA 33 14.710 3.611 0.000
264 HB2 ALA 33 HB2 ALA 33 14.888 5.243 -0.639
265 HB3 ALA 33 HB3 ALA 33 16.299 4.376 -0.030
266 H TYR 34 HN TYR 34 14.734 1.485 -2.804
267 HA TYR 34 HA TYR 34 16.848 -0.092 -1.544
268 HB2 TYR 34 HB2 TYR 34 14.493 -0.779 -1.190
269 HB3 TYR 34 HB1 TYR 34 14.312 -1.004 -2.928
270 HD1 TYR 34 HD1 TYR 34 16.208 -2.199 0.022
271 HD2 TYR 34 HD2 TYR 34 14.899 -3.035 -3.930
272 HE1 TYR 34 HE1 TYR 34 17.018 -4.510 0.251
273 HE2 TYR 34 HE2 TYR 34 15.702 -5.351 -3.717
274 HH TYR 34 HH TYR 34 17.348 -6.605 -2.404
275 HN1 NH2 35 HN1 NH2 35 18.536 -0.698 -2.689
276 HN2 NH2 35 HN2 NH2 35 18.604 -0.885 -4.406
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 13.870 -1.548 4.258
2 H2 ACE 0 HA2 ACE 0 15.445 -2.233 3.865
3 H3 ACE 0 HA3 ACE 0 15.193 -1.535 5.462
4 HA PRO 1 HA PRO 1 13.833 -3.845 2.348
5 HB2 PRO 1 HB2 PRO 1 12.835 -6.579 3.065
6 HB3 PRO 1 HB1 PRO 1 13.638 -6.036 1.578
7 HG2 PRO 1 HG2 PRO 1 14.935 -7.476 3.383
8 HG3 PRO 1 HG1 PRO 1 15.733 -6.165 2.490
9 HD2 PRO 1 HD2 PRO 1 14.839 -6.233 5.326
10 HD3 PRO 1 HD1 PRO 1 16.195 -5.356 4.591
11 HA PRO 2 HA PRO 2 9.866 -2.623 4.045
12 HB2 PRO 2 HB2 PRO 2 8.927 -1.443 1.766
13 HB3 PRO 2 HB1 PRO 2 10.066 -0.657 2.873
14 HG2 PRO 2 HG2 PRO 2 10.572 -1.993 0.275
15 HG3 PRO 2 HG1 PRO 2 11.322 -0.545 0.973
16 HD2 PRO 2 HD2 PRO 2 12.515 -3.000 0.952
17 HD3 PRO 2 HD1 PRO 2 12.855 -1.755 2.171
18 H LYS 3 HN LYS 3 7.869 -3.505 4.064
19 HA LYS 3 HA LYS 3 7.401 -5.687 2.161
20 HB2 LYS 3 HB2 LYS 3 6.269 -5.156 4.910
21 HB3 LYS 3 HB1 LYS 3 5.719 -6.461 3.868
22 HG2 LYS 3 HG2 LYS 3 7.996 -7.388 3.866
23 HG3 LYS 3 HG1 LYS 3 8.497 -6.105 4.969
24 HD2 LYS 3 HD2 LYS 3 6.887 -6.894 6.627
25 HD3 LYS 3 HD1 LYS 3 6.364 -8.166 5.521
26 HE2 LYS 3 HE2 LYS 3 8.599 -9.134 5.562
27 HE3 LYS 3 HE1 LYS 3 9.146 -7.848 6.635
28 HZ1 LYS 3 HZ1 LYS 3 7.561 -8.625 8.294
29 HZ2 LYS 3 HZ2 LYS 3 8.653 -9.845 7.871
30 HZ3 LYS 3 HZ3 LYS 3 7.076 -9.877 7.266
31 H LYS 4 HN LYS 4 5.627 -5.764 0.897
32 HA LYS 4 HA LYS 4 4.283 -3.279 0.421
33 HB2 LYS 4 HB2 LYS 4 4.929 -4.719 -1.451
34 HB3 LYS 4 HB1 LYS 4 3.907 -6.014 -0.829
35 HG2 LYS 4 HG2 LYS 4 1.930 -4.583 -1.173
36 HG3 LYS 4 HG1 LYS 4 2.975 -3.343 -1.870
37 HD2 LYS 4 HD2 LYS 4 3.622 -4.844 -3.656
38 HD3 LYS 4 HD1 LYS 4 2.688 -6.155 -2.927
39 HE2 LYS 4 HE2 LYS 4 1.536 -3.548 -3.926
40 HE3 LYS 4 HE1 LYS 4 1.506 -5.075 -4.810
41 HZ1 LYS 4 HZ1 LYS 4 0.256 -4.634 -2.150
42 HZ2 LYS 4 HZ2 LYS 4 0.166 -6.042 -3.084
43 HZ3 LYS 4 HZ3 LYS 4 -0.572 -4.621 -3.626
44 HA PRO 5 HA PRO 5 0.729 -4.177 3.031
45 HB2 PRO 5 HB2 PRO 5 -0.837 -2.149 2.054
46 HB3 PRO 5 HB1 PRO 5 0.412 -1.912 3.290
47 HG2 PRO 5 HG2 PRO 5 0.530 -1.380 0.367
48 HG3 PRO 5 HG1 PRO 5 1.171 -0.424 1.718
49 HD2 PRO 5 HD2 PRO 5 2.753 -2.001 0.211
50 HD3 PRO 5 HD1 PRO 5 3.045 -1.735 1.944
51 H LYS 6 HN LYS 6 -1.396 -4.956 2.702
52 HA LYS 6 HA LYS 6 -1.714 -6.336 0.194
53 HB2 LYS 6 HB2 LYS 6 -3.459 -6.256 2.660
54 HB3 LYS 6 HB1 LYS 6 -3.705 -7.332 1.290
55 HG2 LYS 6 HG2 LYS 6 -1.597 -8.420 1.714
56 HG3 LYS 6 HG1 LYS 6 -1.240 -7.282 3.012
57 HD2 LYS 6 HD2 LYS 6 -3.200 -8.094 4.245
58 HD3 LYS 6 HD1 LYS 6 -3.518 -9.256 2.957
59 HE2 LYS 6 HE2 LYS 6 -2.349 -10.286 4.855
60 HE3 LYS 6 HE1 LYS 6 -1.389 -10.343 3.378
61 HZ1 LYS 6 HZ1 LYS 6 -0.085 -8.497 4.152
62 HZ2 LYS 6 HZ2 LYS 6 -0.090 -9.698 5.340
63 HZ3 LYS 6 HZ3 LYS 6 -1.056 -8.325 5.527
64 H LYS 7 HN LYS 7 -3.044 -5.840 -1.432
65 HA LYS 7 HA LYS 7 -4.382 -3.273 -1.363
66 HB2 LYS 7 HB2 LYS 7 -3.026 -3.949 -3.334
67 HB3 LYS 7 HB1 LYS 7 -4.133 -5.287 -3.613
68 HG2 LYS 7 HG2 LYS 7 -5.959 -3.689 -3.997
69 HG3 LYS 7 HG1 LYS 7 -4.818 -2.352 -3.765
70 HD2 LYS 7 HD2 LYS 7 -3.496 -3.142 -5.661
71 HD3 LYS 7 HD1 LYS 7 -4.603 -4.499 -5.883
72 HE2 LYS 7 HE2 LYS 7 -5.103 -2.742 -7.479
73 HE3 LYS 7 HE1 LYS 7 -6.430 -2.916 -6.333
74 HZ1 LYS 7 HZ1 LYS 7 -5.652 -0.981 -5.157
75 HZ2 LYS 7 HZ2 LYS 7 -5.852 -0.592 -6.786
76 HZ3 LYS 7 HZ3 LYS 7 -4.303 -0.847 -6.166
77 HA PRO 8 HA PRO 8 -8.248 -5.365 -0.295
78 HB2 PRO 8 HB2 PRO 8 -9.272 -2.609 -0.302
79 HB3 PRO 8 HB1 PRO 8 -9.233 -3.784 1.023
80 HG2 PRO 8 HG2 PRO 8 -7.678 -1.609 1.000
81 HG3 PRO 8 HG1 PRO 8 -7.169 -3.147 1.722
82 HD2 PRO 8 HD2 PRO 8 -6.398 -1.953 -0.904
83 HD3 PRO 8 HD1 PRO 8 -5.412 -2.855 0.272
84 H GLY 9 HN GLY 9 -9.031 -6.311 -2.108
85 HA2 GLY 9 HA2 GLY 9 -9.876 -4.550 -4.310
86 HA3 GLY 9 HA1 GLY 9 -9.448 -6.241 -4.495
87 H ASP 10 HN ASP 10 -10.914 -7.362 -2.438
88 HA ASP 10 HA ASP 10 -13.592 -7.133 -3.590
89 HB2 ASP 10 HB2 ASP 10 -12.683 -9.366 -3.598
90 HB3 ASP 10 HB1 ASP 10 -12.306 -9.271 -1.882
91 H ASN 11 HN ASN 11 -15.298 -6.358 -2.496
92 HA ASN 11 HA ASN 11 -16.509 -5.296 -0.879
93 HB2 ASN 11 HB2 ASN 11 -15.105 -7.436 0.692
94 HB3 ASN 11 HB1 ASN 11 -16.135 -6.263 1.507
95 HD21 ASN 11 HD21 ASN 11 -17.563 -7.930 2.125
96 HD22 ASN 11 HD22 ASN 11 -18.658 -8.647 0.995
97 H ALA 12 HN ALA 12 -14.485 -3.755 -1.648
98 HA ALA 12 HA ALA 12 -13.376 -2.685 0.856
99 HB1 ALA 12 HB1 ALA 12 -11.391 -2.003 -0.361
100 HB2 ALA 12 HB2 ALA 12 -12.046 -2.700 -1.843
101 HB3 ALA 12 HB3 ALA 12 -11.633 -3.746 -0.485
102 H THR 13 HN THR 13 -13.464 -0.523 1.168
103 HA THR 13 HA THR 13 -15.100 1.000 -0.695
104 HB THR 13 HB THR 13 -15.125 2.711 1.103
105 HG1 THR 13 HG1 THR 13 -14.271 2.029 3.170
106 HG21 THR 13 HG21 THR 13 -16.867 0.994 0.981
107 HG22 THR 13 HG22 THR 13 -16.534 1.463 2.649
108 HG23 THR 13 HG23 THR 13 -15.899 -0.055 2.016
109 HA PRO 14 HA PRO 14 -11.716 3.291 -2.490
110 HB2 PRO 14 HB2 PRO 14 -13.453 5.670 -1.985
111 HB3 PRO 14 HB1 PRO 14 -12.653 5.160 -3.486
112 HG2 PRO 14 HG2 PRO 14 -15.235 4.811 -3.218
113 HG3 PRO 14 HG1 PRO 14 -14.228 3.536 -3.940
114 HD2 PRO 14 HD2 PRO 14 -15.394 3.668 -1.179
115 HD3 PRO 14 HD1 PRO 14 -15.236 2.278 -2.272
116 H GLU 15 HN GLU 15 -13.255 4.353 0.475
117 HA GLU 15 HA GLU 15 -11.270 6.112 1.401
118 HB2 GLU 15 HB2 GLU 15 -13.504 6.007 2.398
119 HB3 GLU 15 HB1 GLU 15 -13.194 4.371 2.953
120 HG2 GLU 15 HG2 GLU 15 -11.379 5.233 4.379
121 HG3 GLU 15 HG1 GLU 15 -11.802 6.865 3.873
122 H LYS 16 HN LYS 16 -11.606 2.615 1.571
123 HA LYS 16 HA LYS 16 -9.422 2.246 3.382
124 HB2 LYS 16 HB2 LYS 16 -11.301 0.633 3.163
125 HB3 LYS 16 HB1 LYS 16 -10.752 0.249 1.537
126 HG2 LYS 16 HG2 LYS 16 -10.004 -1.466 3.034
127 HG3 LYS 16 HG1 LYS 16 -8.607 -0.535 2.495
128 HD2 LYS 16 HD2 LYS 16 -8.429 -0.979 4.868
129 HD3 LYS 16 HD1 LYS 16 -8.672 0.746 4.599
130 HE2 LYS 16 HE2 LYS 16 -11.074 0.450 5.098
131 HE3 LYS 16 HE1 LYS 16 -10.773 -1.251 5.443
132 HZ1 LYS 16 HZ1 LYS 16 -9.547 1.029 6.893
133 HZ2 LYS 16 HZ2 LYS 16 -9.327 -0.609 7.249
134 HZ3 LYS 16 HZ3 LYS 16 -10.845 0.104 7.453
135 H LEU 17 HN LEU 17 -9.899 2.120 -0.094
136 HA LEU 17 HA LEU 17 -7.286 1.278 -0.750
137 HB2 LEU 17 HB2 LEU 17 -9.489 2.592 -2.274
138 HB3 LEU 17 HB1 LEU 17 -7.886 2.509 -2.982
139 HG LEU 17 HG LEU 17 -9.146 0.687 -3.844
140 HD11 LEU 17 HD11 LEU 17 -7.329 -0.355 -1.686
141 HD12 LEU 17 HD12 LEU 17 -6.829 0.183 -3.288
142 HD13 LEU 17 HD13 LEU 17 -7.858 -1.238 -3.117
143 HD21 LEU 17 HD21 LEU 17 -9.754 -0.140 -1.012
144 HD22 LEU 17 HD22 LEU 17 -10.262 -0.967 -2.483
145 HD23 LEU 17 HD23 LEU 17 -10.891 0.639 -2.114
146 H ALA 18 HN ALA 18 -8.725 4.448 -0.235
147 HA ALA 18 HA ALA 18 -6.590 6.026 -1.095
148 HB1 ALA 18 HB1 ALA 18 -8.783 6.938 -0.550
149 HB2 ALA 18 HB2 ALA 18 -7.515 7.760 0.360
150 HB3 ALA 18 HB3 ALA 18 -8.525 6.551 1.150
151 H ALA 19 HN ALA 19 -7.236 4.462 1.985
152 HA ALA 19 HA ALA 19 -4.947 5.372 3.354
153 HB1 ALA 19 HB1 ALA 19 -5.369 3.555 4.899
154 HB2 ALA 19 HB2 ALA 19 -6.456 2.794 3.737
155 HB3 ALA 19 HB3 ALA 19 -6.884 4.343 4.463
156 H TYR 20 HN TYR 20 -5.587 2.515 1.370
157 HA TYR 20 HA TYR 20 -3.080 1.289 1.673
158 HB2 TYR 20 HB2 TYR 20 -4.873 -0.001 0.752
159 HB3 TYR 20 HB1 TYR 20 -5.109 1.146 -0.560
160 HD1 TYR 20 HD1 TYR 20 -2.646 -1.275 0.820
161 HD2 TYR 20 HD2 TYR 20 -4.017 0.839 -2.602
162 HE1 TYR 20 HE1 TYR 20 -1.132 -2.600 -0.601
163 HE2 TYR 20 HE2 TYR 20 -2.506 -0.477 -4.031
164 HH TYR 20 HH TYR 20 -0.541 -1.802 -3.905
165 H GLU 21 HN GLU 21 -4.281 3.560 -0.783
166 HA GLU 21 HA GLU 21 -1.942 3.627 -2.330
167 HB2 GLU 21 HB2 GLU 21 -4.057 5.743 -1.920
168 HB3 GLU 21 HB1 GLU 21 -2.783 5.853 -3.121
169 HG2 GLU 21 HG2 GLU 21 -3.658 3.741 -4.133
170 HG3 GLU 21 HG1 GLU 21 -5.012 3.835 -3.007
171 H LYS 22 HN LYS 22 -2.838 5.305 0.602
172 HA LYS 22 HA LYS 22 -0.736 7.197 0.584
173 HB2 LYS 22 HB2 LYS 22 -2.746 7.386 2.016
174 HB3 LYS 22 HB1 LYS 22 -2.192 6.009 2.956
175 HG2 LYS 22 HG2 LYS 22 -0.189 7.295 3.607
176 HG3 LYS 22 HG1 LYS 22 -0.815 8.682 2.717
177 HD2 LYS 22 HD2 LYS 22 -2.169 7.333 5.055
178 HD3 LYS 22 HD1 LYS 22 -1.279 8.853 5.120
179 HE2 LYS 22 HE2 LYS 22 -3.747 8.359 3.457
180 HE3 LYS 22 HE1 LYS 22 -3.726 9.167 5.022
181 HZ1 LYS 22 HZ1 LYS 22 -3.754 10.753 3.206
182 HZ2 LYS 22 HZ2 LYS 22 -2.321 10.108 2.580
183 HZ3 LYS 22 HZ3 LYS 22 -2.313 10.882 4.083
184 H GLU 23 HN GLU 23 -1.087 3.978 2.017
185 HA GLU 23 HA GLU 23 1.572 3.939 3.063
186 HB2 GLU 23 HB2 GLU 23 -0.405 1.700 2.585
187 HB3 GLU 23 HB1 GLU 23 1.123 1.516 3.445
188 HG2 GLU 23 HG2 GLU 23 -1.246 3.184 4.260
189 HG3 GLU 23 HG1 GLU 23 -0.617 1.735 5.055
190 H LEU 24 HN LEU 24 0.034 2.976 0.107
191 HA LEU 24 HA LEU 24 2.122 1.480 -1.037
192 HB2 LEU 24 HB2 LEU 24 -0.230 1.630 -1.890
193 HB3 LEU 24 HB1 LEU 24 0.127 3.250 -2.460
194 HG LEU 24 HG LEU 24 1.879 2.308 -3.945
195 HD11 LEU 24 HD11 LEU 24 2.312 0.265 -2.640
196 HD12 LEU 24 HD12 LEU 24 1.980 -0.071 -4.338
197 HD13 LEU 24 HD13 LEU 24 0.734 -0.356 -3.124
198 HD21 LEU 24 HD21 LEU 24 -0.367 2.782 -4.772
199 HD22 LEU 24 HD22 LEU 24 -0.885 1.160 -4.312
200 HD23 LEU 24 HD23 LEU 24 0.326 1.375 -5.574
201 H ALA 25 HN ALA 25 1.385 4.926 -1.008
202 HA ALA 25 HA ALA 25 3.398 5.820 -2.714
203 HB1 ALA 25 HB1 ALA 25 1.546 7.209 -1.888
204 HB2 ALA 25 HB2 ALA 25 3.114 7.978 -1.651
205 HB3 ALA 25 HB3 ALA 25 2.287 7.219 -0.290
206 H ALA 26 HN ALA 26 3.417 5.230 0.763
207 HA ALA 26 HA ALA 26 6.088 6.079 1.188
208 HB1 ALA 26 HB1 ALA 26 5.875 5.015 3.370
209 HB2 ALA 26 HB2 ALA 26 4.387 4.226 2.845
210 HB3 ALA 26 HB3 ALA 26 4.449 5.981 2.995
211 H TYR 27 HN TYR 27 4.566 2.961 0.578
212 HA TYR 27 HA TYR 27 6.864 1.380 0.910
213 HB2 TYR 27 HB2 TYR 27 4.789 0.250 0.956
214 HB3 TYR 27 HB1 TYR 27 4.288 0.939 -0.590
215 HD1 TYR 27 HD1 TYR 27 6.766 -1.367 0.940
216 HD2 TYR 27 HD2 TYR 27 4.665 -0.223 -2.563
217 HE1 TYR 27 HE1 TYR 27 7.667 -3.337 -0.233
218 HE2 TYR 27 HE2 TYR 27 5.539 -2.186 -3.747
219 HH TYR 27 HH TYR 27 7.189 -4.736 -2.116
220 H GLU 28 HN GLU 28 5.378 2.706 -2.062
221 HA GLU 28 HA GLU 28 7.318 1.614 -3.796
222 HB2 GLU 28 HB2 GLU 28 5.555 4.046 -4.171
223 HB3 GLU 28 HB1 GLU 28 6.513 3.304 -5.441
224 HG2 GLU 28 HG2 GLU 28 5.233 1.210 -5.141
225 HG3 GLU 28 HG1 GLU 28 4.214 2.034 -3.956
226 H LYS 29 HN LYS 29 7.179 4.587 -1.962
227 HA LYS 29 HA LYS 29 9.398 5.883 -3.124
228 HB2 LYS 29 HB2 LYS 29 7.813 7.087 -1.721
229 HB3 LYS 29 HB1 LYS 29 8.223 6.077 -0.344
230 HG2 LYS 29 HG2 LYS 29 9.267 8.255 -0.147
231 HG3 LYS 29 HG1 LYS 29 10.485 6.992 -0.331
232 HD2 LYS 29 HD2 LYS 29 10.703 7.556 -2.712
233 HD3 LYS 29 HD1 LYS 29 9.491 8.826 -2.519
234 HE2 LYS 29 HE2 LYS 29 11.753 9.742 -2.467
235 HE3 LYS 29 HE1 LYS 29 10.933 9.972 -0.924
236 HZ1 LYS 29 HZ1 LYS 29 13.217 9.235 -0.627
237 HZ2 LYS 29 HZ2 LYS 29 12.907 7.833 -1.518
238 HZ3 LYS 29 HZ3 LYS 29 12.134 8.081 -0.033
239 H GLU 30 HN GLU 30 9.093 3.833 -0.240
240 HA GLU 30 HA GLU 30 11.848 3.828 0.404
241 HB2 GLU 30 HB2 GLU 30 9.992 3.192 1.962
242 HB3 GLU 30 HB1 GLU 30 9.807 1.695 1.059
243 HG2 GLU 30 HG2 GLU 30 11.089 1.163 2.943
244 HG3 GLU 30 HG1 GLU 30 12.222 1.221 1.595
245 H LEU 31 HN LEU 31 9.836 1.788 -1.620
246 HA LEU 31 HA LEU 31 11.710 -0.264 -2.105
247 HB2 LEU 31 HB2 LEU 31 9.210 -0.297 -2.560
248 HB3 LEU 31 HB1 LEU 31 9.548 0.644 -4.000
249 HG LEU 31 HG LEU 31 10.948 -1.189 -4.862
250 HD11 LEU 31 HD11 LEU 31 10.019 -2.621 -2.378
251 HD12 LEU 31 HD12 LEU 31 11.676 -2.162 -2.772
252 HD13 LEU 31 HD13 LEU 31 10.845 -3.381 -3.739
253 HD21 LEU 31 HD21 LEU 31 8.572 -1.032 -5.440
254 HD22 LEU 31 HD22 LEU 31 8.172 -2.034 -4.045
255 HD23 LEU 31 HD23 LEU 31 9.118 -2.708 -5.374
256 H ALA 32 HN ALA 32 10.928 2.689 -3.902
257 HA ALA 32 HA ALA 32 12.725 2.306 -6.021
258 HB1 ALA 32 HB1 ALA 32 12.472 4.688 -6.437
259 HB2 ALA 32 HB2 ALA 32 11.753 4.901 -4.840
260 HB3 ALA 32 HB3 ALA 32 10.915 3.948 -6.064
261 H ALA 33 HN ALA 33 13.140 3.591 -2.797
262 HA ALA 33 HA ALA 33 15.810 4.529 -3.253
263 HB1 ALA 33 HB1 ALA 33 14.359 5.545 -1.576
264 HB2 ALA 33 HB2 ALA 33 15.844 4.926 -0.854
265 HB3 ALA 33 HB3 ALA 33 14.337 4.029 -0.680
266 H TYR 34 HN TYR 34 14.329 1.545 -2.330
267 HA TYR 34 HA TYR 34 16.676 0.399 -1.138
268 HB2 TYR 34 HB2 TYR 34 14.337 -0.290 -0.555
269 HB3 TYR 34 HB1 TYR 34 14.193 -1.001 -2.160
270 HD1 TYR 34 HD1 TYR 34 14.878 -3.202 -2.534
271 HD2 TYR 34 HD2 TYR 34 16.196 -1.175 0.963
272 HE1 TYR 34 HE1 TYR 34 15.841 -5.302 -1.688
273 HE2 TYR 34 HE2 TYR 34 17.164 -3.269 1.820
274 HH TYR 34 HH TYR 34 17.503 -6.067 -0.140
275 HN1 NH2 35 HN1 NH2 35 14.969 0.022 -4.211
276 HN2 NH2 35 HN2 NH2 35 16.288 -0.703 -5.064
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 14.404 -2.399 2.852
2 H2 ACE 0 HA2 ACE 0 15.758 -3.351 2.251
3 H3 ACE 0 HA3 ACE 0 15.912 -2.535 3.804
4 HA PRO 1 HA PRO 1 13.700 -4.761 1.175
5 HB2 PRO 1 HB2 PRO 1 12.509 -7.296 2.246
6 HB3 PRO 1 HB1 PRO 1 13.088 -6.938 0.607
7 HG2 PRO 1 HG2 PRO 1 14.516 -8.447 2.230
8 HG3 PRO 1 HG1 PRO 1 15.293 -7.265 1.159
9 HD2 PRO 1 HD2 PRO 1 14.855 -7.126 4.104
10 HD3 PRO 1 HD1 PRO 1 16.190 -6.480 3.131
11 HA PRO 2 HA PRO 2 10.276 -2.900 3.380
12 HB2 PRO 2 HB2 PRO 2 9.127 -1.738 1.179
13 HB3 PRO 2 HB1 PRO 2 10.509 -1.048 2.046
14 HG2 PRO 2 HG2 PRO 2 10.439 -2.553 -0.503
15 HG3 PRO 2 HG1 PRO 2 11.480 -1.205 -0.009
16 HD2 PRO 2 HD2 PRO 2 12.289 -3.817 -0.055
17 HD3 PRO 2 HD1 PRO 2 13.004 -2.581 0.998
18 H LYS 3 HN LYS 3 8.124 -3.338 3.687
19 HA LYS 3 HA LYS 3 7.092 -5.639 2.195
20 HB2 LYS 3 HB2 LYS 3 7.217 -5.854 4.650
21 HB3 LYS 3 HB1 LYS 3 6.169 -4.453 4.821
22 HG2 LYS 3 HG2 LYS 3 4.357 -5.649 3.739
23 HG3 LYS 3 HG1 LYS 3 5.406 -7.047 3.501
24 HD2 LYS 3 HD2 LYS 3 5.655 -7.247 5.942
25 HD3 LYS 3 HD1 LYS 3 4.552 -5.884 6.149
26 HE2 LYS 3 HE2 LYS 3 3.374 -7.989 6.449
27 HE3 LYS 3 HE1 LYS 3 2.789 -7.149 5.014
28 HZ1 LYS 3 HZ1 LYS 3 4.763 -9.369 4.995
29 HZ2 LYS 3 HZ2 LYS 3 4.107 -8.602 3.638
30 HZ3 LYS 3 HZ3 LYS 3 3.118 -9.531 4.643
31 H LYS 4 HN LYS 4 5.441 -5.441 0.844
32 HA LYS 4 HA LYS 4 4.269 -2.826 0.433
33 HB2 LYS 4 HB2 LYS 4 4.974 -4.259 -1.485
34 HB3 LYS 4 HB1 LYS 4 3.743 -5.431 -1.021
35 HG2 LYS 4 HG2 LYS 4 1.998 -3.768 -1.443
36 HG3 LYS 4 HG1 LYS 4 3.230 -2.593 -1.908
37 HD2 LYS 4 HD2 LYS 4 2.288 -3.559 -3.898
38 HD3 LYS 4 HD1 LYS 4 3.945 -4.134 -3.716
39 HE2 LYS 4 HE2 LYS 4 3.082 -6.223 -2.734
40 HE3 LYS 4 HE1 LYS 4 1.437 -5.646 -2.991
41 HZ1 LYS 4 HZ1 LYS 4 3.456 -6.172 -5.102
42 HZ2 LYS 4 HZ2 LYS 4 1.905 -5.561 -5.375
43 HZ3 LYS 4 HZ3 LYS 4 2.103 -7.123 -4.757
44 HA PRO 5 HA PRO 5 0.763 -3.764 3.049
45 HB2 PRO 5 HB2 PRO 5 -0.854 -1.747 2.077
46 HB3 PRO 5 HB1 PRO 5 0.371 -1.529 3.341
47 HG2 PRO 5 HG2 PRO 5 0.533 -0.916 0.439
48 HG3 PRO 5 HG1 PRO 5 1.163 -0.007 1.826
49 HD2 PRO 5 HD2 PRO 5 2.769 -1.522 0.294
50 HD3 PRO 5 HD1 PRO 5 3.022 -1.351 2.045
51 H LYS 6 HN LYS 6 -1.319 -4.616 2.814
52 HA LYS 6 HA LYS 6 -1.678 -6.044 0.350
53 HB2 LYS 6 HB2 LYS 6 -3.293 -5.975 2.903
54 HB3 LYS 6 HB1 LYS 6 -3.627 -7.053 1.554
55 HG2 LYS 6 HG2 LYS 6 -1.425 -8.070 1.820
56 HG3 LYS 6 HG1 LYS 6 -1.086 -6.984 3.168
57 HD2 LYS 6 HD2 LYS 6 -2.939 -7.942 4.421
58 HD3 LYS 6 HD1 LYS 6 -3.325 -9.004 3.065
59 HE2 LYS 6 HE2 LYS 6 -0.743 -9.007 4.625
60 HE3 LYS 6 HE1 LYS 6 -2.052 -10.170 4.810
61 HZ1 LYS 6 HZ1 LYS 6 -0.472 -9.739 2.334
62 HZ2 LYS 6 HZ2 LYS 6 -1.708 -10.872 2.528
63 HZ3 LYS 6 HZ3 LYS 6 -0.275 -11.026 3.411
64 H LYS 7 HN LYS 7 -2.679 -5.250 -1.336
65 HA LYS 7 HA LYS 7 -4.230 -2.884 -1.310
66 HB2 LYS 7 HB2 LYS 7 -3.021 -3.483 -3.323
67 HB3 LYS 7 HB1 LYS 7 -3.874 -5.016 -3.429
68 HG2 LYS 7 HG2 LYS 7 -5.989 -3.770 -3.789
69 HG3 LYS 7 HG1 LYS 7 -5.055 -2.267 -3.827
70 HD2 LYS 7 HD2 LYS 7 -4.441 -4.585 -5.653
71 HD3 LYS 7 HD1 LYS 7 -5.637 -3.361 -6.072
72 HE2 LYS 7 HE2 LYS 7 -2.775 -2.714 -5.361
73 HE3 LYS 7 HE1 LYS 7 -3.330 -2.994 -7.010
74 HZ1 LYS 7 HZ1 LYS 7 -4.334 -0.867 -5.192
75 HZ2 LYS 7 HZ2 LYS 7 -4.878 -1.149 -6.766
76 HZ3 LYS 7 HZ3 LYS 7 -3.288 -0.641 -6.501
77 HA PRO 8 HA PRO 8 -8.090 -4.770 0.007
78 HB2 PRO 8 HB2 PRO 8 -9.139 -2.086 -0.618
79 HB3 PRO 8 HB1 PRO 8 -9.167 -2.975 0.912
80 HG2 PRO 8 HG2 PRO 8 -7.609 -0.840 0.541
81 HG3 PRO 8 HG1 PRO 8 -7.135 -2.206 1.569
82 HD2 PRO 8 HD2 PRO 8 -6.226 -1.513 -1.182
83 HD3 PRO 8 HD1 PRO 8 -5.317 -2.212 0.178
84 H GLY 9 HN GLY 9 -9.184 -5.998 -1.368
85 HA2 GLY 9 HA2 GLY 9 -10.229 -4.745 -3.819
86 HA3 GLY 9 HA1 GLY 9 -9.457 -6.322 -3.886
87 H ASP 10 HN ASP 10 -10.451 -7.453 -1.578
88 HA ASP 10 HA ASP 10 -13.165 -8.052 -2.439
89 HB2 ASP 10 HB2 ASP 10 -11.654 -9.922 -1.962
90 HB3 ASP 10 HB1 ASP 10 -11.430 -9.339 -0.315
91 H ASN 11 HN ASN 11 -14.799 -6.950 -1.643
92 HA ASN 11 HA ASN 11 -16.097 -5.639 -0.322
93 HB2 ASN 11 HB2 ASN 11 -14.862 -7.398 1.790
94 HB3 ASN 11 HB1 ASN 11 -16.141 -6.239 2.132
95 HD21 ASN 11 HD21 ASN 11 -16.242 -9.076 2.467
96 HD22 ASN 11 HD22 ASN 11 -17.508 -9.662 1.445
97 H ALA 12 HN ALA 12 -14.667 -3.868 -1.027
98 HA ALA 12 HA ALA 12 -13.652 -2.484 1.322
99 HB1 ALA 12 HB1 ALA 12 -12.000 -2.804 -1.177
100 HB2 ALA 12 HB2 ALA 12 -11.698 -3.610 0.363
101 HB3 ALA 12 HB3 ALA 12 -11.573 -1.853 0.246
102 H THR 13 HN THR 13 -13.933 -0.325 1.263
103 HA THR 13 HA THR 13 -15.510 0.773 -0.889
104 HB THR 13 HB THR 13 -15.482 2.842 0.514
105 HG1 THR 13 HG1 THR 13 -14.690 2.100 2.809
106 HG21 THR 13 HG21 THR 13 -16.295 0.323 1.956
107 HG22 THR 13 HG22 THR 13 -17.255 1.171 0.744
108 HG23 THR 13 HG23 THR 13 -16.897 1.949 2.286
109 HA PRO 14 HA PRO 14 -12.299 2.764 -3.248
110 HB2 PRO 14 HB2 PRO 14 -13.894 5.265 -2.908
111 HB3 PRO 14 HB1 PRO 14 -13.272 4.520 -4.394
112 HG2 PRO 14 HG2 PRO 14 -15.826 4.348 -3.814
113 HG3 PRO 14 HG1 PRO 14 -14.953 2.951 -4.481
114 HD2 PRO 14 HD2 PRO 14 -15.831 3.448 -1.666
115 HD3 PRO 14 HD1 PRO 14 -15.799 1.931 -2.586
116 H GLU 15 HN GLU 15 -13.523 4.385 -0.369
117 HA GLU 15 HA GLU 15 -11.340 6.136 -0.008
118 HB2 GLU 15 HB2 GLU 15 -13.261 5.044 2.050
119 HB3 GLU 15 HB1 GLU 15 -12.204 6.431 2.269
120 HG2 GLU 15 HG2 GLU 15 -14.504 6.192 0.352
121 HG3 GLU 15 HG1 GLU 15 -14.427 7.193 1.797
122 H LYS 16 HN LYS 16 -11.902 2.803 0.845
123 HA LYS 16 HA LYS 16 -9.754 2.570 2.697
124 HB2 LYS 16 HB2 LYS 16 -11.662 1.008 2.647
125 HB3 LYS 16 HB1 LYS 16 -11.156 0.441 1.062
126 HG2 LYS 16 HG2 LYS 16 -10.527 -1.121 2.823
127 HG3 LYS 16 HG1 LYS 16 -9.103 -0.452 2.024
128 HD2 LYS 16 HD2 LYS 16 -8.651 0.993 3.854
129 HD3 LYS 16 HD1 LYS 16 -10.218 0.659 4.591
130 HE2 LYS 16 HE2 LYS 16 -8.347 -0.505 5.715
131 HE3 LYS 16 HE1 LYS 16 -9.561 -1.608 5.078
132 HZ1 LYS 16 HZ1 LYS 16 -8.145 -2.126 3.243
133 HZ2 LYS 16 HZ2 LYS 16 -7.251 -2.321 4.663
134 HZ3 LYS 16 HZ3 LYS 16 -7.017 -0.953 3.700
135 H LEU 17 HN LEU 17 -10.112 2.247 -0.769
136 HA LEU 17 HA LEU 17 -7.503 1.279 -1.283
137 HB2 LEU 17 HB2 LEU 17 -9.588 2.634 -2.937
138 HB3 LEU 17 HB1 LEU 17 -7.957 2.496 -3.569
139 HG LEU 17 HG LEU 17 -9.224 0.685 -4.458
140 HD11 LEU 17 HD11 LEU 17 -8.004 -1.242 -3.656
141 HD12 LEU 17 HD12 LEU 17 -7.571 -0.383 -2.181
142 HD13 LEU 17 HD13 LEU 17 -6.937 0.158 -3.731
143 HD21 LEU 17 HD21 LEU 17 -9.991 -0.035 -1.633
144 HD22 LEU 17 HD22 LEU 17 -10.425 -0.921 -3.093
145 HD23 LEU 17 HD23 LEU 17 -11.054 0.704 -2.830
146 H ALA 18 HN ALA 18 -8.855 4.499 -0.897
147 HA ALA 18 HA ALA 18 -6.566 5.957 -1.644
148 HB1 ALA 18 HB1 ALA 18 -8.706 6.713 0.336
149 HB2 ALA 18 HB2 ALA 18 -8.791 6.962 -1.407
150 HB3 ALA 18 HB3 ALA 18 -7.579 7.818 -0.453
151 H ALA 19 HN ALA 19 -7.616 4.517 1.371
152 HA ALA 19 HA ALA 19 -5.538 5.438 3.019
153 HB1 ALA 19 HB1 ALA 19 -7.607 4.366 3.835
154 HB2 ALA 19 HB2 ALA 19 -6.149 3.643 4.510
155 HB3 ALA 19 HB3 ALA 19 -7.019 2.823 3.215
156 H TYR 20 HN TYR 20 -5.856 2.555 0.994
157 HA TYR 20 HA TYR 20 -3.374 1.400 1.592
158 HB2 TYR 20 HB2 TYR 20 -5.008 0.086 0.429
159 HB3 TYR 20 HB1 TYR 20 -5.095 1.255 -0.882
160 HD1 TYR 20 HD1 TYR 20 -3.845 0.903 -2.804
161 HD2 TYR 20 HD2 TYR 20 -2.675 -1.019 0.800
162 HE1 TYR 20 HE1 TYR 20 -2.113 -0.343 -4.037
163 HE2 TYR 20 HE2 TYR 20 -0.949 -2.272 -0.423
164 HH TYR 20 HH TYR 20 -0.377 -2.966 -2.593
165 H GLU 21 HN GLU 21 -4.324 3.676 -0.962
166 HA GLU 21 HA GLU 21 -1.829 3.794 -2.231
167 HB2 GLU 21 HB2 GLU 21 -4.027 5.855 -2.062
168 HB3 GLU 21 HB1 GLU 21 -2.619 6.014 -3.100
169 HG2 GLU 21 HG2 GLU 21 -3.279 3.923 -4.250
170 HG3 GLU 21 HG1 GLU 21 -4.732 3.871 -3.251
171 H LYS 22 HN LYS 22 -3.001 5.335 0.661
172 HA LYS 22 HA LYS 22 -0.958 7.271 0.918
173 HB2 LYS 22 HB2 LYS 22 -3.005 7.399 2.226
174 HB3 LYS 22 HB1 LYS 22 -2.624 5.882 3.023
175 HG2 LYS 22 HG2 LYS 22 -2.142 7.663 4.526
176 HG3 LYS 22 HG1 LYS 22 -0.612 6.963 3.995
177 HD2 LYS 22 HD2 LYS 22 -0.366 8.793 2.364
178 HD3 LYS 22 HD1 LYS 22 -1.875 9.500 2.950
179 HE2 LYS 22 HE2 LYS 22 -0.865 9.672 5.203
180 HE3 LYS 22 HE1 LYS 22 0.653 9.075 4.537
181 HZ1 LYS 22 HZ1 LYS 22 -0.730 11.590 3.792
182 HZ2 LYS 22 HZ2 LYS 22 0.663 11.006 3.040
183 HZ3 LYS 22 HZ3 LYS 22 0.710 11.454 4.669
184 H GLU 23 HN GLU 23 -1.295 3.949 2.117
185 HA GLU 23 HA GLU 23 1.310 3.951 3.309
186 HB2 GLU 23 HB2 GLU 23 -0.584 1.677 2.685
187 HB3 GLU 23 HB1 GLU 23 0.915 1.505 3.596
188 HG2 GLU 23 HG2 GLU 23 -0.014 3.201 5.214
189 HG3 GLU 23 HG1 GLU 23 -1.558 3.029 4.370
190 H LEU 24 HN LEU 24 -0.043 3.109 0.227
191 HA LEU 24 HA LEU 24 2.105 1.648 -0.845
192 HB2 LEU 24 HB2 LEU 24 -0.123 1.849 -1.916
193 HB3 LEU 24 HB1 LEU 24 0.224 3.528 -2.285
194 HG LEU 24 HG LEU 24 2.150 2.777 -3.679
195 HD11 LEU 24 HD11 LEU 24 2.313 0.455 -4.334
196 HD12 LEU 24 HD12 LEU 24 0.971 0.035 -3.269
197 HD13 LEU 24 HD13 LEU 24 2.494 0.608 -2.586
198 HD21 LEU 24 HD21 LEU 24 0.789 2.029 -5.556
199 HD22 LEU 24 HD22 LEU 24 -0.006 3.335 -4.677
200 HD23 LEU 24 HD23 LEU 24 -0.542 1.670 -4.458
201 H ALA 25 HN ALA 25 1.435 5.116 -0.734
202 HA ALA 25 HA ALA 25 3.633 5.993 -2.219
203 HB1 ALA 25 HB1 ALA 25 2.215 7.346 0.067
204 HB2 ALA 25 HB2 ALA 25 1.777 7.441 -1.638
205 HB3 ALA 25 HB3 ALA 25 3.297 8.141 -1.079
206 H ALA 26 HN ALA 26 3.312 5.113 1.164
207 HA ALA 26 HA ALA 26 5.908 5.971 1.957
208 HB1 ALA 26 HB1 ALA 26 4.127 3.903 3.239
209 HB2 ALA 26 HB2 ALA 26 4.059 5.637 3.549
210 HB3 ALA 26 HB3 ALA 26 5.497 4.719 3.991
211 H TYR 27 HN TYR 27 4.525 2.929 0.854
212 HA TYR 27 HA TYR 27 6.848 1.355 1.136
213 HB2 TYR 27 HB2 TYR 27 4.802 0.192 0.900
214 HB3 TYR 27 HB1 TYR 27 4.368 1.089 -0.556
215 HD1 TYR 27 HD1 TYR 27 6.689 -1.469 0.778
216 HD2 TYR 27 HD2 TYR 27 4.988 0.319 -2.674
217 HE1 TYR 27 HE1 TYR 27 7.667 -3.249 -0.616
218 HE2 TYR 27 HE2 TYR 27 5.951 -1.452 -4.082
219 HH TYR 27 HH TYR 27 7.730 -3.065 -4.045
220 H GLU 28 HN GLU 28 5.524 3.166 -1.616
221 HA GLU 28 HA GLU 28 7.408 2.339 -3.518
222 HB2 GLU 28 HB2 GLU 28 5.833 4.917 -3.355
223 HB3 GLU 28 HB1 GLU 28 6.762 4.414 -4.759
224 HG2 GLU 28 HG2 GLU 28 5.347 2.453 -5.019
225 HG3 GLU 28 HG1 GLU 28 4.416 2.915 -3.590
226 H LYS 29 HN LYS 29 7.530 4.839 -1.086
227 HA LYS 29 HA LYS 29 9.804 6.210 -2.046
228 HB2 LYS 29 HB2 LYS 29 8.268 7.117 -0.327
229 HB3 LYS 29 HB1 LYS 29 8.835 5.895 0.804
230 HG2 LYS 29 HG2 LYS 29 11.066 6.845 0.758
231 HG3 LYS 29 HG1 LYS 29 10.557 8.038 -0.437
232 HD2 LYS 29 HD2 LYS 29 8.953 8.962 1.183
233 HD3 LYS 29 HD1 LYS 29 9.485 7.775 2.378
234 HE2 LYS 29 HE2 LYS 29 11.731 8.717 2.328
235 HE3 LYS 29 HE1 LYS 29 11.231 9.875 1.097
236 HZ1 LYS 29 HZ1 LYS 29 11.261 10.847 3.318
237 HZ2 LYS 29 HZ2 LYS 29 10.117 9.719 3.844
238 HZ3 LYS 29 HZ3 LYS 29 9.701 10.855 2.665
239 H GLU 30 HN GLU 30 9.411 3.592 0.319
240 HA GLU 30 HA GLU 30 12.172 3.237 0.822
241 HB2 GLU 30 HB2 GLU 30 9.935 1.223 1.105
242 HB3 GLU 30 HB1 GLU 30 11.531 1.105 1.828
243 HG2 GLU 30 HG2 GLU 30 9.412 3.137 2.449
244 HG3 GLU 30 HG1 GLU 30 9.958 1.818 3.481
245 H LEU 31 HN LEU 31 9.952 1.934 -1.541
246 HA LEU 31 HA LEU 31 11.549 -0.167 -2.516
247 HB2 LEU 31 HB2 LEU 31 9.111 0.164 -2.992
248 HB3 LEU 31 HB1 LEU 31 9.544 1.476 -4.073
249 HG LEU 31 HG LEU 31 10.810 -0.122 -5.472
250 HD11 LEU 31 HD11 LEU 31 11.355 -1.759 -3.766
251 HD12 LEU 31 HD12 LEU 31 10.489 -2.522 -5.101
252 HD13 LEU 31 HD13 LEU 31 9.648 -2.168 -3.591
253 HD21 LEU 31 HD21 LEU 31 7.929 -0.857 -4.967
254 HD22 LEU 31 HD22 LEU 31 8.851 -1.234 -6.424
255 HD23 LEU 31 HD23 LEU 31 8.501 0.445 -6.010
256 H ALA 32 HN ALA 32 11.217 3.199 -3.582
257 HA ALA 32 HA ALA 32 13.010 3.065 -5.733
258 HB1 ALA 32 HB1 ALA 32 12.324 5.434 -4.010
259 HB2 ALA 32 HB2 ALA 32 11.416 4.882 -5.416
260 HB3 ALA 32 HB3 ALA 32 13.059 5.492 -5.613
261 H ALA 33 HN ALA 33 13.526 3.406 -2.307
262 HA ALA 33 HA ALA 33 16.286 4.168 -2.549
263 HB1 ALA 33 HB1 ALA 33 14.943 4.852 -0.627
264 HB2 ALA 33 HB2 ALA 33 16.349 3.913 -0.128
265 HB3 ALA 33 HB3 ALA 33 14.754 3.162 -0.160
266 H TYR 34 HN TYR 34 14.468 1.211 -2.228
267 HA TYR 34 HA TYR 34 16.691 -0.449 -1.536
268 HB2 TYR 34 HB2 TYR 34 14.380 -1.087 -0.972
269 HB3 TYR 34 HB1 TYR 34 13.979 -1.171 -2.683
270 HD1 TYR 34 HD1 TYR 34 14.220 -3.176 -3.841
271 HD2 TYR 34 HD2 TYR 34 16.229 -2.668 -0.129
272 HE1 TYR 34 HE1 TYR 34 14.895 -5.539 -3.895
273 HE2 TYR 34 HE2 TYR 34 16.912 -5.035 -0.168
274 HH TYR 34 HH TYR 34 16.653 -6.966 -2.956
275 HN1 NH2 35 HN1 NH2 35 14.793 -0.044 -4.505
276 HN2 NH2 35 HN2 NH2 35 16.032 -0.581 -5.585
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 14.309 -2.470 2.255
2 H2 ACE 0 HA2 ACE 0 15.868 -3.279 2.390
3 H3 ACE 0 HA3 ACE 0 15.442 -2.047 3.572
4 HA PRO 1 HA PRO 1 13.092 -4.523 1.375
5 HB2 PRO 1 HB2 PRO 1 11.550 -6.740 2.131
6 HB3 PRO 1 HB1 PRO 1 12.960 -6.788 1.056
7 HG2 PRO 1 HG2 PRO 1 12.768 -7.429 3.944
8 HG3 PRO 1 HG1 PRO 1 13.757 -8.178 2.673
9 HD2 PRO 1 HD2 PRO 1 14.843 -6.494 4.458
10 HD3 PRO 1 HD1 PRO 1 15.380 -6.518 2.766
11 HA PRO 2 HA PRO 2 10.073 -2.281 3.794
12 HB2 PRO 2 HB2 PRO 2 8.732 -1.220 1.643
13 HB3 PRO 2 HB1 PRO 2 10.230 -0.547 2.307
14 HG2 PRO 2 HG2 PRO 2 9.812 -2.184 -0.116
15 HG3 PRO 2 HG1 PRO 2 10.993 -0.903 0.202
16 HD2 PRO 2 HD2 PRO 2 11.569 -3.589 0.229
17 HD3 PRO 2 HD1 PRO 2 12.512 -2.354 1.084
18 H LYS 3 HN LYS 3 7.989 -2.605 4.428
19 HA LYS 3 HA LYS 3 6.802 -5.088 3.549
20 HB2 LYS 3 HB2 LYS 3 5.189 -4.681 5.412
21 HB3 LYS 3 HB1 LYS 3 6.870 -4.688 5.926
22 HG2 LYS 3 HG2 LYS 3 6.894 -2.299 6.081
23 HG3 LYS 3 HG1 LYS 3 5.284 -2.191 5.373
24 HD2 LYS 3 HD2 LYS 3 4.409 -3.465 7.321
25 HD3 LYS 3 HD1 LYS 3 6.020 -3.396 8.036
26 HE2 LYS 3 HE2 LYS 3 5.927 -0.955 8.010
27 HE3 LYS 3 HE1 LYS 3 4.317 -1.022 7.296
28 HZ1 LYS 3 HZ1 LYS 3 5.079 -2.057 9.972
29 HZ2 LYS 3 HZ2 LYS 3 3.538 -2.158 9.290
30 HZ3 LYS 3 HZ3 LYS 3 4.196 -0.647 9.667
31 H LYS 4 HN LYS 4 5.252 -5.271 2.080
32 HA LYS 4 HA LYS 4 3.990 -2.854 1.063
33 HB2 LYS 4 HB2 LYS 4 4.984 -4.584 -0.486
34 HB3 LYS 4 HB1 LYS 4 3.706 -5.684 0.026
35 HG2 LYS 4 HG2 LYS 4 2.033 -4.051 -0.810
36 HG3 LYS 4 HG1 LYS 4 3.357 -3.063 -1.427
37 HD2 LYS 4 HD2 LYS 4 2.557 -4.345 -3.254
38 HD3 LYS 4 HD1 LYS 4 4.086 -5.075 -2.762
39 HE2 LYS 4 HE2 LYS 4 2.885 -6.810 -1.542
40 HE3 LYS 4 HE1 LYS 4 1.346 -6.053 -1.948
41 HZ1 LYS 4 HZ1 LYS 4 1.844 -6.462 -4.301
42 HZ2 LYS 4 HZ2 LYS 4 1.758 -7.891 -3.407
43 HZ3 LYS 4 HZ3 LYS 4 3.261 -7.273 -3.859
44 HA PRO 5 HA PRO 5 0.350 -3.683 3.574
45 HB2 PRO 5 HB2 PRO 5 -1.246 -1.862 2.243
46 HB3 PRO 5 HB1 PRO 5 -0.157 -1.450 3.581
47 HG2 PRO 5 HG2 PRO 5 0.259 -1.141 0.653
48 HG3 PRO 5 HG1 PRO 5 0.710 -0.056 1.983
49 HD2 PRO 5 HD2 PRO 5 2.526 -1.630 0.791
50 HD3 PRO 5 HD1 PRO 5 2.588 -1.280 2.533
51 H LYS 6 HN LYS 6 -1.645 -4.713 3.243
52 HA LYS 6 HA LYS 6 -1.730 -6.419 0.992
53 HB2 LYS 6 HB2 LYS 6 -3.708 -5.872 3.198
54 HB3 LYS 6 HB1 LYS 6 -3.988 -7.077 1.946
55 HG2 LYS 6 HG2 LYS 6 -1.992 -8.275 2.621
56 HG3 LYS 6 HG1 LYS 6 -1.644 -7.046 3.835
57 HD2 LYS 6 HD2 LYS 6 -3.677 -7.602 5.026
58 HD3 LYS 6 HD1 LYS 6 -4.114 -8.775 3.781
59 HE2 LYS 6 HE2 LYS 6 -2.155 -10.104 4.310
60 HE3 LYS 6 HE1 LYS 6 -1.635 -8.906 5.494
61 HZ1 LYS 6 HZ1 LYS 6 -2.730 -10.820 6.513
62 HZ2 LYS 6 HZ2 LYS 6 -4.148 -10.480 5.657
63 HZ3 LYS 6 HZ3 LYS 6 -3.573 -9.387 6.813
64 H LYS 7 HN LYS 7 -2.471 -6.065 -0.933
65 HA LYS 7 HA LYS 7 -3.715 -3.627 -1.693
66 HB2 LYS 7 HB2 LYS 7 -2.176 -4.850 -3.174
67 HB3 LYS 7 HB1 LYS 7 -3.298 -6.201 -3.235
68 HG2 LYS 7 HG2 LYS 7 -4.947 -4.778 -4.355
69 HG3 LYS 7 HG1 LYS 7 -3.794 -3.432 -4.323
70 HD2 LYS 7 HD2 LYS 7 -2.236 -4.699 -5.688
71 HD3 LYS 7 HD1 LYS 7 -3.312 -6.099 -5.664
72 HE2 LYS 7 HE2 LYS 7 -3.504 -4.870 -7.768
73 HE3 LYS 7 HE1 LYS 7 -5.013 -4.822 -6.861
74 HZ1 LYS 7 HZ1 LYS 7 -4.456 -2.603 -6.108
75 HZ2 LYS 7 HZ2 LYS 7 -4.453 -2.666 -7.797
76 HZ3 LYS 7 HZ3 LYS 7 -2.990 -2.650 -6.952
77 HA PRO 8 HA PRO 8 -7.857 -5.264 -1.025
78 HB2 PRO 8 HB2 PRO 8 -9.012 -2.878 -0.530
79 HB3 PRO 8 HB1 PRO 8 -7.991 -3.687 0.671
80 HG2 PRO 8 HG2 PRO 8 -7.432 -1.322 -0.970
81 HG3 PRO 8 HG1 PRO 8 -6.754 -1.809 0.592
82 HD2 PRO 8 HD2 PRO 8 -5.579 -2.127 -1.989
83 HD3 PRO 8 HD1 PRO 8 -4.946 -2.674 -0.420
84 H GLY 9 HN GLY 9 -9.910 -4.984 -2.086
85 HA2 GLY 9 HA2 GLY 9 -9.954 -3.254 -4.448
86 HA3 GLY 9 HA1 GLY 9 -10.223 -4.976 -4.682
87 H ASP 10 HN ASP 10 -12.294 -5.621 -4.653
88 HA ASP 10 HA ASP 10 -14.350 -3.786 -3.781
89 HB2 ASP 10 HB2 ASP 10 -15.910 -5.255 -4.766
90 HB3 ASP 10 HB1 ASP 10 -14.501 -5.356 -5.814
91 H ASN 11 HN ASN 11 -12.431 -6.079 -2.339
92 HA ASN 11 HA ASN 11 -14.312 -7.128 -0.434
93 HB2 ASN 11 HB2 ASN 11 -12.392 -8.174 0.627
94 HB3 ASN 11 HB1 ASN 11 -12.304 -8.416 -1.112
95 HD21 ASN 11 HD21 ASN 11 -10.200 -8.463 0.926
96 HD22 ASN 11 HD22 ASN 11 -9.027 -7.296 0.424
97 H ALA 12 HN ALA 12 -12.912 -4.171 -0.783
98 HA ALA 12 HA ALA 12 -13.229 -3.552 2.056
99 HB1 ALA 12 HB1 ALA 12 -11.185 -2.247 2.076
100 HB2 ALA 12 HB2 ALA 12 -10.881 -2.665 0.392
101 HB3 ALA 12 HB3 ALA 12 -10.832 -3.916 1.632
102 H THR 13 HN THR 13 -13.109 -1.076 2.327
103 HA THR 13 HA THR 13 -15.046 0.073 0.549
104 HB THR 13 HB THR 13 -14.854 2.059 2.011
105 HG1 THR 13 HG1 THR 13 -13.491 1.750 3.929
106 HG21 THR 13 HG21 THR 13 -16.378 0.220 2.596
107 HG22 THR 13 HG22 THR 13 -15.750 1.038 4.025
108 HG23 THR 13 HG23 THR 13 -15.095 -0.527 3.545
109 HA PRO 14 HA PRO 14 -12.336 2.317 -2.236
110 HB2 PRO 14 HB2 PRO 14 -14.116 4.647 -1.662
111 HB3 PRO 14 HB1 PRO 14 -13.629 3.960 -3.226
112 HG2 PRO 14 HG2 PRO 14 -16.052 3.536 -2.325
113 HG3 PRO 14 HG1 PRO 14 -15.135 2.216 -3.087
114 HD2 PRO 14 HD2 PRO 14 -15.649 2.705 -0.170
115 HD3 PRO 14 HD1 PRO 14 -15.658 1.177 -1.075
116 H GLU 15 HN GLU 15 -13.309 3.667 0.845
117 HA GLU 15 HA GLU 15 -11.298 5.628 1.077
118 HB2 GLU 15 HB2 GLU 15 -12.789 4.107 3.222
119 HB3 GLU 15 HB1 GLU 15 -11.791 5.523 3.511
120 HG2 GLU 15 HG2 GLU 15 -13.267 6.875 2.160
121 HG3 GLU 15 HG1 GLU 15 -14.235 5.460 1.764
122 H LYS 16 HN LYS 16 -11.424 2.200 1.829
123 HA LYS 16 HA LYS 16 -8.933 2.060 3.173
124 HB2 LYS 16 HB2 LYS 16 -10.645 0.320 3.402
125 HB3 LYS 16 HB1 LYS 16 -10.486 -0.079 1.695
126 HG2 LYS 16 HG2 LYS 16 -9.322 -1.714 3.022
127 HG3 LYS 16 HG1 LYS 16 -8.151 -0.762 2.111
128 HD2 LYS 16 HD2 LYS 16 -7.580 0.517 4.049
129 HD3 LYS 16 HD1 LYS 16 -8.892 -0.207 4.977
130 HE2 LYS 16 HE2 LYS 16 -6.504 -1.679 3.871
131 HE3 LYS 16 HE1 LYS 16 -6.706 -1.175 5.548
132 HZ1 LYS 16 HZ1 LYS 16 -8.404 -3.118 4.078
133 HZ2 LYS 16 HZ2 LYS 16 -8.694 -2.589 5.656
134 HZ3 LYS 16 HZ3 LYS 16 -7.300 -3.478 5.304
135 H LEU 17 HN LEU 17 -9.943 1.848 -0.174
136 HA LEU 17 HA LEU 17 -7.450 1.108 -1.257
137 HB2 LEU 17 HB2 LEU 17 -9.917 2.364 -2.330
138 HB3 LEU 17 HB1 LEU 17 -8.448 2.551 -3.271
139 HG LEU 17 HG LEU 17 -9.735 0.675 -4.096
140 HD11 LEU 17 HD11 LEU 17 -7.334 0.500 -4.252
141 HD12 LEU 17 HD12 LEU 17 -8.036 -1.087 -3.939
142 HD13 LEU 17 HD13 LEU 17 -7.251 -0.198 -2.636
143 HD21 LEU 17 HD21 LEU 17 -10.951 0.120 -2.053
144 HD22 LEU 17 HD22 LEU 17 -9.465 -0.497 -1.332
145 HD23 LEU 17 HD23 LEU 17 -10.161 -1.300 -2.737
146 H ALA 18 HN ALA 18 -8.894 4.261 -0.559
147 HA ALA 18 HA ALA 18 -6.794 5.840 -1.538
148 HB1 ALA 18 HB1 ALA 18 -8.669 6.443 0.742
149 HB2 ALA 18 HB2 ALA 18 -9.007 6.729 -0.965
150 HB3 ALA 18 HB3 ALA 18 -7.714 7.619 -0.161
151 H ALA 19 HN ALA 19 -7.408 4.436 1.643
152 HA ALA 19 HA ALA 19 -5.141 5.411 2.966
153 HB1 ALA 19 HB1 ALA 19 -7.030 4.346 4.106
154 HB2 ALA 19 HB2 ALA 19 -5.495 3.602 4.549
155 HB3 ALA 19 HB3 ALA 19 -6.568 2.796 3.406
156 H TYR 20 HN TYR 20 -5.665 2.460 1.088
157 HA TYR 20 HA TYR 20 -3.114 1.350 1.420
158 HB2 TYR 20 HB2 TYR 20 -4.887 -0.015 0.544
159 HB3 TYR 20 HB1 TYR 20 -5.115 1.070 -0.820
160 HD1 TYR 20 HD1 TYR 20 -3.982 0.699 -2.825
161 HD2 TYR 20 HD2 TYR 20 -2.638 -1.232 0.709
162 HE1 TYR 20 HE1 TYR 20 -2.421 -0.647 -4.167
163 HE2 TYR 20 HE2 TYR 20 -1.063 -2.585 -0.620
164 HH TYR 20 HH TYR 20 -0.358 -1.896 -3.886
165 H GLU 21 HN GLU 21 -4.412 3.473 -1.114
166 HA GLU 21 HA GLU 21 -2.090 3.538 -2.681
167 HB2 GLU 21 HB2 GLU 21 -4.317 5.553 -2.370
168 HB3 GLU 21 HB1 GLU 21 -3.034 5.715 -3.558
169 HG2 GLU 21 HG2 GLU 21 -3.722 3.585 -4.576
170 HG3 GLU 21 HG1 GLU 21 -5.022 3.454 -3.392
171 H LYS 22 HN LYS 22 -2.972 5.318 0.200
172 HA LYS 22 HA LYS 22 -0.830 7.196 0.011
173 HB2 LYS 22 HB2 LYS 22 -2.826 7.682 1.336
174 HB3 LYS 22 HB1 LYS 22 -2.462 6.335 2.405
175 HG2 LYS 22 HG2 LYS 22 -1.847 8.475 3.402
176 HG3 LYS 22 HG1 LYS 22 -0.436 7.446 3.150
177 HD2 LYS 22 HD2 LYS 22 0.111 8.687 1.113
178 HD3 LYS 22 HD1 LYS 22 -1.307 9.711 1.349
179 HE2 LYS 22 HE2 LYS 22 0.744 10.816 2.100
180 HE3 LYS 22 HE1 LYS 22 -0.373 10.551 3.436
181 HZ1 LYS 22 HZ1 LYS 22 1.979 8.850 2.804
182 HZ2 LYS 22 HZ2 LYS 22 0.927 8.639 4.109
183 HZ3 LYS 22 HZ3 LYS 22 1.913 10.008 4.031
184 H GLU 23 HN GLU 23 -1.339 4.180 1.820
185 HA GLU 23 HA GLU 23 1.239 4.134 2.994
186 HB2 GLU 23 HB2 GLU 23 -0.712 1.888 2.431
187 HB3 GLU 23 HB1 GLU 23 0.764 1.699 3.372
188 HG2 GLU 23 HG2 GLU 23 -0.098 3.407 4.957
189 HG3 GLU 23 HG1 GLU 23 -1.616 3.415 4.052
190 H LEU 24 HN LEU 24 -0.060 3.052 -0.038
191 HA LEU 24 HA LEU 24 2.115 1.483 -0.909
192 HB2 LEU 24 HB2 LEU 24 -0.191 1.530 -1.912
193 HB3 LEU 24 HB1 LEU 24 0.212 3.082 -2.623
194 HG LEU 24 HG LEU 24 2.036 2.019 -3.899
195 HD11 LEU 24 HD11 LEU 24 2.484 0.159 -2.367
196 HD12 LEU 24 HD12 LEU 24 2.199 -0.400 -4.014
197 HD13 LEU 24 HD13 LEU 24 0.933 -0.562 -2.797
198 HD21 LEU 24 HD21 LEU 24 -0.642 0.695 -4.282
199 HD22 LEU 24 HD22 LEU 24 0.621 0.886 -5.498
200 HD23 LEU 24 HD23 LEU 24 -0.207 2.303 -4.854
201 H ALA 25 HN ALA 25 1.332 4.911 -1.247
202 HA ALA 25 HA ALA 25 3.469 5.645 -2.896
203 HB1 ALA 25 HB1 ALA 25 1.539 7.086 -2.430
204 HB2 ALA 25 HB2 ALA 25 3.064 7.913 -2.112
205 HB3 ALA 25 HB3 ALA 25 2.102 7.290 -0.771
206 H ALA 26 HN ALA 26 3.190 5.452 0.620
207 HA ALA 26 HA ALA 26 5.806 6.353 1.196
208 HB1 ALA 26 HB1 ALA 26 5.426 5.430 3.416
209 HB2 ALA 26 HB2 ALA 26 4.008 4.565 2.822
210 HB3 ALA 26 HB3 ALA 26 4.015 6.329 2.858
211 H TYR 27 HN TYR 27 4.405 3.192 0.590
212 HA TYR 27 HA TYR 27 6.684 1.643 1.187
213 HB2 TYR 27 HB2 TYR 27 4.599 0.513 1.072
214 HB3 TYR 27 HB1 TYR 27 4.259 1.147 -0.537
215 HD1 TYR 27 HD1 TYR 27 6.399 -1.199 1.346
216 HD2 TYR 27 HD2 TYR 27 4.967 0.001 -2.463
217 HE1 TYR 27 HE1 TYR 27 7.376 -3.230 0.349
218 HE2 TYR 27 HE2 TYR 27 5.923 -2.026 -3.475
219 HH TYR 27 HH TYR 27 7.150 -4.624 -1.566
220 H GLU 28 HN GLU 28 5.451 2.931 -1.894
221 HA GLU 28 HA GLU 28 7.455 1.814 -3.516
222 HB2 GLU 28 HB2 GLU 28 5.803 4.315 -3.948
223 HB3 GLU 28 HB1 GLU 28 6.810 3.565 -5.176
224 HG2 GLU 28 HG2 GLU 28 5.441 1.509 -4.990
225 HG3 GLU 28 HG1 GLU 28 4.380 2.353 -3.857
226 H LYS 29 HN LYS 29 7.385 4.669 -1.539
227 HA LYS 29 HA LYS 29 9.630 5.990 -2.604
228 HB2 LYS 29 HB2 LYS 29 7.990 7.007 -1.035
229 HB3 LYS 29 HB1 LYS 29 8.639 6.003 0.253
230 HG2 LYS 29 HG2 LYS 29 10.782 7.099 0.086
231 HG3 LYS 29 HG1 LYS 29 10.226 8.045 -1.295
232 HD2 LYS 29 HD2 LYS 29 9.122 8.182 1.517
233 HD3 LYS 29 HD1 LYS 29 10.177 9.373 0.755
234 HE2 LYS 29 HE2 LYS 29 8.448 9.785 -0.949
235 HE3 LYS 29 HE1 LYS 29 7.393 8.631 -0.140
236 HZ1 LYS 29 HZ1 LYS 29 8.427 11.144 1.049
237 HZ2 LYS 29 HZ2 LYS 29 7.403 10.038 1.816
238 HZ3 LYS 29 HZ3 LYS 29 6.858 10.900 0.470
239 H GLU 30 HN GLU 30 9.315 3.735 0.141
240 HA GLU 30 HA GLU 30 12.105 3.539 0.607
241 HB2 GLU 30 HB2 GLU 30 9.816 1.732 1.368
242 HB3 GLU 30 HB1 GLU 30 11.480 1.371 1.789
243 HG2 GLU 30 HG2 GLU 30 11.547 3.620 2.933
244 HG3 GLU 30 HG1 GLU 30 9.798 3.672 2.713
245 H LEU 31 HN LEU 31 9.876 1.833 -1.465
246 HA LEU 31 HA LEU 31 11.533 -0.351 -2.118
247 HB2 LEU 31 HB2 LEU 31 9.041 -0.115 -2.555
248 HB3 LEU 31 HB1 LEU 31 9.465 0.889 -3.930
249 HG LEU 31 HG LEU 31 10.727 -1.018 -4.889
250 HD11 LEU 31 HD11 LEU 31 11.254 -2.222 -2.867
251 HD12 LEU 31 HD12 LEU 31 10.313 -3.259 -3.939
252 HD13 LEU 31 HD13 LEU 31 9.543 -2.498 -2.548
253 HD21 LEU 31 HD21 LEU 31 8.750 -2.305 -5.541
254 HD22 LEU 31 HD22 LEU 31 8.448 -0.568 -5.583
255 HD23 LEU 31 HD23 LEU 31 7.833 -1.537 -4.246
256 H ALA 32 HN ALA 32 11.075 2.806 -3.637
257 HA ALA 32 HA ALA 32 12.827 2.449 -5.789
258 HB1 ALA 32 HB1 ALA 32 12.874 4.886 -5.914
259 HB2 ALA 32 HB2 ALA 32 12.142 4.981 -4.313
260 HB3 ALA 32 HB3 ALA 32 11.236 4.285 -5.657
261 H ALA 33 HN ALA 33 13.386 3.450 -2.462
262 HA ALA 33 HA ALA 33 16.132 4.111 -2.817
263 HB1 ALA 33 HB1 ALA 33 16.219 4.194 -0.391
264 HB2 ALA 33 HB2 ALA 33 14.645 3.403 -0.297
265 HB3 ALA 33 HB3 ALA 33 14.780 5.018 -0.990
266 H TYR 34 HN TYR 34 14.369 1.200 -2.229
267 HA TYR 34 HA TYR 34 16.497 -0.400 -1.249
268 HB2 TYR 34 HB2 TYR 34 14.175 -1.061 -0.922
269 HB3 TYR 34 HB1 TYR 34 13.921 -1.141 -2.660
270 HD1 TYR 34 HD1 TYR 34 15.712 -2.724 0.160
271 HD2 TYR 34 HD2 TYR 34 14.422 -3.093 -3.872
272 HE1 TYR 34 HE1 TYR 34 16.320 -5.111 0.188
273 HE2 TYR 34 HE2 TYR 34 15.026 -5.478 -3.857
274 HH TYR 34 HH TYR 34 16.496 -6.996 -2.645
275 HN1 NH2 35 HN1 NH2 35 15.189 0.229 -4.450
276 HN2 NH2 35 HN2 NH2 35 16.483 -0.498 -5.336
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 14.344 -1.186 2.374
2 H2 ACE 0 HA2 ACE 0 15.765 -2.011 1.739
3 H3 ACE 0 HA3 ACE 0 15.939 -0.989 3.162
4 HA PRO 1 HA PRO 1 13.614 -3.688 1.158
5 HB2 PRO 1 HB2 PRO 1 12.598 -6.174 1.976
6 HB3 PRO 1 HB1 PRO 1 13.883 -5.929 0.781
7 HG2 PRO 1 HG2 PRO 1 14.086 -6.641 3.649
8 HG3 PRO 1 HG1 PRO 1 15.088 -7.151 2.275
9 HD2 PRO 1 HD2 PRO 1 15.966 -5.320 4.025
10 HD3 PRO 1 HD1 PRO 1 16.347 -5.201 2.295
11 HA PRO 2 HA PRO 2 10.327 -2.272 3.862
12 HB2 PRO 2 HB2 PRO 2 8.808 -1.142 1.912
13 HB3 PRO 2 HB1 PRO 2 10.268 -0.371 2.554
14 HG2 PRO 2 HG2 PRO 2 9.865 -1.823 0.008
15 HG3 PRO 2 HG1 PRO 2 10.887 -0.420 0.366
16 HD2 PRO 2 HD2 PRO 2 11.795 -3.025 0.134
17 HD3 PRO 2 HD1 PRO 2 12.654 -1.719 0.976
18 H LYS 3 HN LYS 3 8.225 -2.906 4.333
19 HA LYS 3 HA LYS 3 7.374 -5.357 2.984
20 HB2 LYS 3 HB2 LYS 3 7.613 -5.416 5.423
21 HB3 LYS 3 HB1 LYS 3 6.464 -4.097 5.578
22 HG2 LYS 3 HG2 LYS 3 4.710 -5.524 4.635
23 HG3 LYS 3 HG1 LYS 3 5.869 -6.850 4.519
24 HD2 LYS 3 HD2 LYS 3 6.170 -6.834 6.926
25 HD3 LYS 3 HD1 LYS 3 5.091 -5.445 7.072
26 HE2 LYS 3 HE2 LYS 3 3.251 -6.801 6.182
27 HE3 LYS 3 HE1 LYS 3 4.335 -8.187 6.069
28 HZ1 LYS 3 HZ1 LYS 3 2.954 -8.216 8.080
29 HZ2 LYS 3 HZ2 LYS 3 3.665 -6.769 8.589
30 HZ3 LYS 3 HZ3 LYS 3 4.606 -8.167 8.442
31 H LYS 4 HN LYS 4 5.556 -5.504 1.802
32 HA LYS 4 HA LYS 4 4.089 -3.035 1.296
33 HB2 LYS 4 HB2 LYS 4 4.997 -4.444 -0.592
34 HB3 LYS 4 HB1 LYS 4 3.853 -5.700 -0.129
35 HG2 LYS 4 HG2 LYS 4 1.994 -4.190 -0.608
36 HG3 LYS 4 HG1 LYS 4 3.135 -2.922 -1.056
37 HD2 LYS 4 HD2 LYS 4 4.000 -4.363 -2.856
38 HD3 LYS 4 HD1 LYS 4 2.811 -5.592 -2.424
39 HE2 LYS 4 HE2 LYS 4 0.999 -4.071 -2.964
40 HE3 LYS 4 HE1 LYS 4 2.150 -2.782 -3.311
41 HZ1 LYS 4 HZ1 LYS 4 1.333 -3.853 -5.326
42 HZ2 LYS 4 HZ2 LYS 4 1.945 -5.341 -4.807
43 HZ3 LYS 4 HZ3 LYS 4 3.001 -4.068 -5.156
44 HA PRO 5 HA PRO 5 0.821 -4.528 3.960
45 HB2 PRO 5 HB2 PRO 5 -0.876 -2.438 2.844
46 HB3 PRO 5 HB1 PRO 5 -0.204 -2.571 4.477
47 HG2 PRO 5 HG2 PRO 5 0.577 -0.693 2.688
48 HG3 PRO 5 HG1 PRO 5 1.621 -1.323 3.980
49 HD2 PRO 5 HD2 PRO 5 1.611 -1.975 1.071
50 HD3 PRO 5 HD1 PRO 5 2.979 -1.835 2.198
51 H LYS 6 HN LYS 6 -1.304 -5.444 3.761
52 HA LYS 6 HA LYS 6 -1.684 -6.818 1.294
53 HB2 LYS 6 HB2 LYS 6 -3.457 -6.642 3.739
54 HB3 LYS 6 HB1 LYS 6 -3.701 -7.758 2.402
55 HG2 LYS 6 HG2 LYS 6 -1.528 -8.787 2.882
56 HG3 LYS 6 HG1 LYS 6 -1.323 -7.685 4.246
57 HD2 LYS 6 HD2 LYS 6 -3.383 -8.597 5.251
58 HD3 LYS 6 HD1 LYS 6 -3.500 -9.748 3.919
59 HE2 LYS 6 HE2 LYS 6 -1.223 -9.549 5.890
60 HE3 LYS 6 HE1 LYS 6 -2.495 -10.768 5.906
61 HZ1 LYS 6 HZ1 LYS 6 -0.603 -10.375 3.658
62 HZ2 LYS 6 HZ2 LYS 6 -1.717 -11.631 3.840
63 HZ3 LYS 6 HZ3 LYS 6 -0.392 -11.519 4.882
64 H LYS 7 HN LYS 7 -2.583 -6.005 -0.442
65 HA LYS 7 HA LYS 7 -4.077 -3.585 -0.455
66 HB2 LYS 7 HB2 LYS 7 -2.671 -4.240 -2.364
67 HB3 LYS 7 HB1 LYS 7 -3.662 -5.670 -2.614
68 HG2 LYS 7 HG2 LYS 7 -5.597 -4.192 -3.081
69 HG3 LYS 7 HG1 LYS 7 -4.503 -2.806 -2.974
70 HD2 LYS 7 HD2 LYS 7 -3.240 -3.564 -4.851
71 HD3 LYS 7 HD1 LYS 7 -4.089 -5.111 -4.869
72 HE2 LYS 7 HE2 LYS 7 -5.344 -2.414 -5.391
73 HE3 LYS 7 HE1 LYS 7 -4.893 -3.588 -6.627
74 HZ1 LYS 7 HZ1 LYS 7 -6.871 -4.079 -4.464
75 HZ2 LYS 7 HZ2 LYS 7 -6.471 -5.143 -5.715
76 HZ3 LYS 7 HZ3 LYS 7 -7.256 -3.685 -6.064
77 HA PRO 8 HA PRO 8 -8.149 -5.394 0.258
78 HB2 PRO 8 HB2 PRO 8 -9.057 -2.774 -0.767
79 HB3 PRO 8 HB1 PRO 8 -9.389 -3.546 0.793
80 HG2 PRO 8 HG2 PRO 8 -7.781 -1.433 0.595
81 HG3 PRO 8 HG1 PRO 8 -7.502 -2.734 1.770
82 HD2 PRO 8 HD2 PRO 8 -6.116 -2.201 -0.817
83 HD3 PRO 8 HD1 PRO 8 -5.454 -2.779 0.730
84 H GLY 9 HN GLY 9 -9.719 -6.243 -1.089
85 HA2 GLY 9 HA2 GLY 9 -8.994 -6.214 -3.918
86 HA3 GLY 9 HA1 GLY 9 -10.013 -7.402 -3.124
87 H ASP 10 HN ASP 10 -11.979 -7.334 -4.004
88 HA ASP 10 HA ASP 10 -13.000 -4.875 -5.151
89 HB2 ASP 10 HB2 ASP 10 -14.162 -7.664 -5.030
90 HB3 ASP 10 HB1 ASP 10 -14.941 -6.302 -5.822
91 H ASN 11 HN ASN 11 -13.348 -6.699 -2.268
92 HA ASN 11 HA ASN 11 -15.858 -5.402 -1.562
93 HB2 ASN 11 HB2 ASN 11 -14.226 -7.502 -0.120
94 HB3 ASN 11 HB1 ASN 11 -15.726 -6.821 0.496
95 HD21 ASN 11 HD21 ASN 11 -14.291 -8.912 -1.877
96 HD22 ASN 11 HD22 ASN 11 -15.766 -9.631 -2.425
97 H ALA 12 HN ALA 12 -14.457 -3.367 -1.757
98 HA ALA 12 HA ALA 12 -14.053 -2.393 0.901
99 HB1 ALA 12 HB1 ALA 12 -11.891 -3.450 0.580
100 HB2 ALA 12 HB2 ALA 12 -11.721 -1.695 0.612
101 HB3 ALA 12 HB3 ALA 12 -11.660 -2.561 -0.924
102 H THR 13 HN THR 13 -14.168 -0.186 1.006
103 HA THR 13 HA THR 13 -15.285 1.115 -1.290
104 HB THR 13 HB THR 13 -15.430 3.089 0.244
105 HG1 THR 13 HG1 THR 13 -14.906 1.626 2.495
106 HG21 THR 13 HG21 THR 13 -17.136 2.121 1.693
107 HG22 THR 13 HG22 THR 13 -16.535 0.503 1.331
108 HG23 THR 13 HG23 THR 13 -17.260 1.481 0.055
109 HA PRO 14 HA PRO 14 -11.779 3.261 -3.011
110 HB2 PRO 14 HB2 PRO 14 -13.413 5.736 -2.597
111 HB3 PRO 14 HB1 PRO 14 -12.569 5.176 -4.056
112 HG2 PRO 14 HG2 PRO 14 -15.174 4.942 -3.895
113 HG3 PRO 14 HG1 PRO 14 -14.192 3.622 -4.570
114 HD2 PRO 14 HD2 PRO 14 -15.500 3.809 -1.887
115 HD3 PRO 14 HD1 PRO 14 -15.296 2.401 -2.946
116 H GLU 15 HN GLU 15 -13.339 4.691 -0.166
117 HA GLU 15 HA GLU 15 -11.134 6.281 0.617
118 HB2 GLU 15 HB2 GLU 15 -13.454 6.634 1.439
119 HB3 GLU 15 HB1 GLU 15 -13.317 5.155 2.379
120 HG2 GLU 15 HG2 GLU 15 -11.479 6.132 3.650
121 HG3 GLU 15 HG1 GLU 15 -11.619 7.613 2.712
122 H LYS 16 HN LYS 16 -12.013 2.940 1.215
123 HA LYS 16 HA LYS 16 -10.054 2.455 3.220
124 HB2 LYS 16 HB2 LYS 16 -12.046 1.018 2.896
125 HB3 LYS 16 HB1 LYS 16 -11.410 0.505 1.338
126 HG2 LYS 16 HG2 LYS 16 -10.996 -1.210 2.969
127 HG3 LYS 16 HG1 LYS 16 -9.460 -0.477 2.505
128 HD2 LYS 16 HD2 LYS 16 -9.429 0.842 4.531
129 HD3 LYS 16 HD1 LYS 16 -11.032 0.254 4.976
130 HE2 LYS 16 HE2 LYS 16 -8.620 -1.521 4.629
131 HE3 LYS 16 HE1 LYS 16 -9.131 -0.854 6.175
132 HZ1 LYS 16 HZ1 LYS 16 -11.252 -2.007 5.910
133 HZ2 LYS 16 HZ2 LYS 16 -9.955 -3.090 5.900
134 HZ3 LYS 16 HZ3 LYS 16 -10.720 -2.678 4.451
135 H LEU 17 HN LEU 17 -10.167 2.160 -0.285
136 HA LEU 17 HA LEU 17 -7.572 1.090 -0.614
137 HB2 LEU 17 HB2 LEU 17 -9.520 2.464 -2.392
138 HB3 LEU 17 HB1 LEU 17 -7.851 2.403 -2.919
139 HG LEU 17 HG LEU 17 -9.022 0.593 -3.939
140 HD11 LEU 17 HD11 LEU 17 -7.379 -0.485 -1.655
141 HD12 LEU 17 HD12 LEU 17 -6.745 0.120 -3.184
142 HD13 LEU 17 HD13 LEU 17 -7.757 -1.323 -3.158
143 HD21 LEU 17 HD21 LEU 17 -9.859 -0.271 -1.178
144 HD22 LEU 17 HD22 LEU 17 -10.208 -1.109 -2.690
145 HD23 LEU 17 HD23 LEU 17 -10.904 0.482 -2.383
146 H ALA 18 HN ALA 18 -8.791 4.368 -0.308
147 HA ALA 18 HA ALA 18 -6.490 5.772 -1.024
148 HB1 ALA 18 HB1 ALA 18 -8.682 6.813 -0.679
149 HB2 ALA 18 HB2 ALA 18 -7.418 7.618 0.252
150 HB3 ALA 18 HB3 ALA 18 -8.538 6.516 1.054
151 H ALA 19 HN ALA 19 -7.502 4.384 2.047
152 HA ALA 19 HA ALA 19 -5.373 5.258 3.631
153 HB1 ALA 19 HB1 ALA 19 -6.841 2.644 3.876
154 HB2 ALA 19 HB2 ALA 19 -7.452 4.191 4.459
155 HB3 ALA 19 HB3 ALA 19 -5.981 3.507 5.152
156 H TYR 20 HN TYR 20 -5.759 2.341 1.663
157 HA TYR 20 HA TYR 20 -3.246 1.225 2.283
158 HB2 TYR 20 HB2 TYR 20 -4.991 -0.152 1.314
159 HB3 TYR 20 HB1 TYR 20 -5.011 0.838 -0.141
160 HD1 TYR 20 HD1 TYR 20 -3.680 0.253 -1.958
161 HD2 TYR 20 HD2 TYR 20 -2.768 -1.336 1.876
162 HE1 TYR 20 HE1 TYR 20 -1.970 -1.200 -2.972
163 HE2 TYR 20 HE2 TYR 20 -1.063 -2.795 0.870
164 HH TYR 20 HH TYR 20 -0.492 -3.764 -1.238
165 H GLU 21 HN GLU 21 -4.335 3.288 -0.393
166 HA GLU 21 HA GLU 21 -1.912 3.292 -1.805
167 HB2 GLU 21 HB2 GLU 21 -4.072 5.398 -1.693
168 HB3 GLU 21 HB1 GLU 21 -2.745 5.404 -2.842
169 HG2 GLU 21 HG2 GLU 21 -3.564 3.147 -3.622
170 HG3 GLU 21 HG1 GLU 21 -4.997 3.425 -2.631
171 H LYS 22 HN LYS 22 -2.939 5.059 1.002
172 HA LYS 22 HA LYS 22 -0.946 7.066 0.945
173 HB2 LYS 22 HB2 LYS 22 -2.981 7.230 2.317
174 HB3 LYS 22 HB1 LYS 22 -2.432 5.880 3.298
175 HG2 LYS 22 HG2 LYS 22 -0.529 7.211 4.071
176 HG3 LYS 22 HG1 LYS 22 -1.073 8.566 3.078
177 HD2 LYS 22 HD2 LYS 22 -3.167 8.653 4.357
178 HD3 LYS 22 HD1 LYS 22 -2.618 7.302 5.348
179 HE2 LYS 22 HE2 LYS 22 -1.290 10.006 5.149
180 HE3 LYS 22 HE1 LYS 22 -2.299 9.449 6.481
181 HZ1 LYS 22 HZ1 LYS 22 0.017 9.220 7.034
182 HZ2 LYS 22 HZ2 LYS 22 0.305 8.285 5.655
183 HZ3 LYS 22 HZ3 LYS 22 -0.675 7.684 6.894
184 H GLU 23 HN GLU 23 -1.088 3.813 2.295
185 HA GLU 23 HA GLU 23 1.591 3.972 3.356
186 HB2 GLU 23 HB2 GLU 23 -0.318 1.648 3.028
187 HB3 GLU 23 HB1 GLU 23 1.275 1.512 3.766
188 HG2 GLU 23 HG2 GLU 23 0.571 3.176 5.465
189 HG3 GLU 23 HG1 GLU 23 -1.049 3.146 4.760
190 H LEU 24 HN LEU 24 0.003 2.798 0.484
191 HA LEU 24 HA LEU 24 2.117 1.282 -0.590
192 HB2 LEU 24 HB2 LEU 24 -0.227 1.214 -1.410
193 HB3 LEU 24 HB1 LEU 24 -0.011 2.820 -2.082
194 HG LEU 24 HG LEU 24 1.777 1.941 -3.554
195 HD11 LEU 24 HD11 LEU 24 2.452 0.034 -2.184
196 HD12 LEU 24 HD12 LEU 24 2.039 -0.460 -3.824
197 HD13 LEU 24 HD13 LEU 24 0.904 -0.747 -2.506
198 HD21 LEU 24 HD21 LEU 24 0.290 0.792 -5.091
199 HD22 LEU 24 HD22 LEU 24 -0.521 2.167 -4.342
200 HD23 LEU 24 HD23 LEU 24 -0.871 0.530 -3.791
201 H ALA 25 HN ALA 25 1.257 4.696 -0.891
202 HA ALA 25 HA ALA 25 3.195 5.427 -2.771
203 HB1 ALA 25 HB1 ALA 25 1.321 6.856 -2.142
204 HB2 ALA 25 HB2 ALA 25 2.856 7.704 -1.954
205 HB3 ALA 25 HB3 ALA 25 2.018 7.069 -0.537
206 H ALA 26 HN ALA 26 3.309 5.164 0.727
207 HA ALA 26 HA ALA 26 5.934 6.184 1.041
208 HB1 ALA 26 HB1 ALA 26 4.385 4.328 2.840
209 HB2 ALA 26 HB2 ALA 26 4.307 6.089 2.874
210 HB3 ALA 26 HB3 ALA 26 5.811 5.266 3.286
211 H TYR 27 HN TYR 27 4.569 2.961 0.673
212 HA TYR 27 HA TYR 27 6.933 1.490 1.004
213 HB2 TYR 27 HB2 TYR 27 4.836 0.344 1.112
214 HB3 TYR 27 HB1 TYR 27 4.382 0.890 -0.501
215 HD1 TYR 27 HD1 TYR 27 5.115 -0.275 -2.443
216 HD2 TYR 27 HD2 TYR 27 6.585 -1.370 1.386
217 HE1 TYR 27 HE1 TYR 27 6.088 -2.316 -3.409
218 HE2 TYR 27 HE2 TYR 27 7.573 -3.413 0.433
219 HH TYR 27 HH TYR 27 7.830 -3.934 -2.941
220 H GLU 28 HN GLU 28 5.330 2.678 -1.943
221 HA GLU 28 HA GLU 28 7.211 1.662 -3.766
222 HB2 GLU 28 HB2 GLU 28 5.291 3.987 -3.928
223 HB3 GLU 28 HB1 GLU 28 6.313 3.516 -5.278
224 HG2 GLU 28 HG2 GLU 28 4.413 1.604 -3.943
225 HG3 GLU 28 HG1 GLU 28 3.948 2.641 -5.292
226 H LYS 29 HN LYS 29 7.152 4.594 -1.862
227 HA LYS 29 HA LYS 29 9.270 5.939 -3.155
228 HB2 LYS 29 HB2 LYS 29 7.699 7.024 -1.567
229 HB3 LYS 29 HB1 LYS 29 8.423 6.106 -0.255
230 HG2 LYS 29 HG2 LYS 29 10.527 7.232 -0.553
231 HG3 LYS 29 HG1 LYS 29 9.917 8.070 -1.983
232 HD2 LYS 29 HD2 LYS 29 8.223 9.184 -0.572
233 HD3 LYS 29 HD1 LYS 29 8.901 8.381 0.847
234 HE2 LYS 29 HE2 LYS 29 10.422 10.246 -0.970
235 HE3 LYS 29 HE1 LYS 29 9.683 10.717 0.559
236 HZ1 LYS 29 HZ1 LYS 29 11.802 8.661 0.250
237 HZ2 LYS 29 HZ2 LYS 29 11.121 9.176 1.708
238 HZ3 LYS 29 HZ3 LYS 29 12.050 10.242 0.789
239 H GLU 30 HN GLU 30 9.184 3.930 -0.230
240 HA GLU 30 HA GLU 30 11.986 3.957 0.172
241 HB2 GLU 30 HB2 GLU 30 9.879 2.051 1.203
242 HB3 GLU 30 HB1 GLU 30 11.541 2.113 1.771
243 HG2 GLU 30 HG2 GLU 30 11.222 4.381 2.562
244 HG3 GLU 30 HG1 GLU 30 9.576 4.383 1.928
245 H LEU 31 HN LEU 31 9.836 1.804 -1.581
246 HA LEU 31 HA LEU 31 11.668 -0.296 -2.004
247 HB2 LEU 31 HB2 LEU 31 9.171 -0.354 -2.433
248 HB3 LEU 31 HB1 LEU 31 9.483 0.540 -3.909
249 HG LEU 31 HG LEU 31 10.949 -1.328 -4.670
250 HD11 LEU 31 HD11 LEU 31 10.750 -3.482 -3.525
251 HD12 LEU 31 HD12 LEU 31 9.815 -2.709 -2.244
252 HD13 LEU 31 HD13 LEU 31 11.502 -2.260 -2.498
253 HD21 LEU 31 HD21 LEU 31 9.104 -2.830 -5.231
254 HD22 LEU 31 HD22 LEU 31 8.644 -1.138 -5.426
255 HD23 LEU 31 HD23 LEU 31 8.096 -2.043 -4.016
256 H ALA 32 HN ALA 32 10.960 2.620 -3.866
257 HA ALA 32 HA ALA 32 12.706 2.094 -6.004
258 HB1 ALA 32 HB1 ALA 32 12.532 4.462 -6.502
259 HB2 ALA 32 HB2 ALA 32 11.847 4.758 -4.904
260 HB3 ALA 32 HB3 ALA 32 10.957 3.793 -6.079
261 H ALA 33 HN ALA 33 13.277 3.216 -2.774
262 HA ALA 33 HA ALA 33 15.929 4.193 -3.295
263 HB1 ALA 33 HB1 ALA 33 14.594 3.499 -0.686
264 HB2 ALA 33 HB2 ALA 33 14.579 5.084 -1.458
265 HB3 ALA 33 HB3 ALA 33 16.098 4.400 -0.874
266 H TYR 34 HN TYR 34 14.449 1.177 -2.509
267 HA TYR 34 HA TYR 34 16.904 -0.101 -1.683
268 HB2 TYR 34 HB2 TYR 34 14.762 -0.762 -0.671
269 HB3 TYR 34 HB1 TYR 34 14.154 -1.239 -2.251
270 HD1 TYR 34 HD1 TYR 34 17.172 -1.930 -0.153
271 HD2 TYR 34 HD2 TYR 34 14.102 -3.500 -2.639
272 HE1 TYR 34 HE1 TYR 34 18.052 -4.198 0.202
273 HE2 TYR 34 HE2 TYR 34 14.969 -5.772 -2.289
274 HH TYR 34 HH TYR 34 17.368 -6.482 0.082
275 HN1 NH2 35 HN1 NH2 35 14.913 0.142 -4.534
276 HN2 NH2 35 HN2 NH2 35 15.950 -0.753 -5.587
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 15.972 -2.055 3.968
2 H2 ACE 0 HA2 ACE 0 14.385 -1.795 3.250
3 H3 ACE 0 HA3 ACE 0 15.520 -2.874 2.443
4 HA PRO 1 HA PRO 1 13.591 -4.441 1.632
5 HB2 PRO 1 HB2 PRO 1 12.704 -7.035 2.823
6 HB3 PRO 1 HB1 PRO 1 13.257 -6.689 1.173
7 HG2 PRO 1 HG2 PRO 1 14.808 -7.979 2.891
8 HG3 PRO 1 HG1 PRO 1 15.474 -6.810 1.734
9 HD2 PRO 1 HD2 PRO 1 15.038 -6.511 4.665
10 HD3 PRO 1 HD1 PRO 1 16.309 -5.819 3.638
11 HA PRO 2 HA PRO 2 9.993 -3.126 4.004
12 HB2 PRO 2 HB2 PRO 2 8.950 -1.539 2.047
13 HB3 PRO 2 HB1 PRO 2 10.266 -1.024 3.113
14 HG2 PRO 2 HG2 PRO 2 10.348 -1.812 0.286
15 HG3 PRO 2 HG1 PRO 2 11.415 -0.734 1.199
16 HD2 PRO 2 HD2 PRO 2 11.949 -3.401 0.469
17 HD3 PRO 2 HD1 PRO 2 12.884 -2.405 1.603
18 H LYS 3 HN LYS 3 7.875 -3.770 4.027
19 HA LYS 3 HA LYS 3 7.212 -5.885 2.140
20 HB2 LYS 3 HB2 LYS 3 6.965 -6.309 4.546
21 HB3 LYS 3 HB1 LYS 3 5.832 -4.975 4.670
22 HG2 LYS 3 HG2 LYS 3 4.229 -6.139 3.311
23 HG3 LYS 3 HG1 LYS 3 5.379 -7.440 3.010
24 HD2 LYS 3 HD2 LYS 3 4.588 -6.727 5.810
25 HD3 LYS 3 HD1 LYS 3 3.546 -7.750 4.823
26 HE2 LYS 3 HE2 LYS 3 4.999 -9.116 6.203
27 HE3 LYS 3 HE1 LYS 3 5.408 -9.321 4.504
28 HZ1 LYS 3 HZ1 LYS 3 7.311 -7.926 4.782
29 HZ2 LYS 3 HZ2 LYS 3 7.352 -9.111 5.983
30 HZ3 LYS 3 HZ3 LYS 3 6.874 -7.538 6.370
31 H LYS 4 HN LYS 4 5.733 -5.706 0.574
32 HA LYS 4 HA LYS 4 4.486 -3.165 0.097
33 HB2 LYS 4 HB2 LYS 4 5.271 -4.524 -1.786
34 HB3 LYS 4 HB1 LYS 4 4.182 -5.826 -1.320
35 HG2 LYS 4 HG2 LYS 4 2.259 -4.369 -1.787
36 HG3 LYS 4 HG1 LYS 4 3.369 -3.093 -2.295
37 HD2 LYS 4 HD2 LYS 4 4.166 -4.417 -4.119
38 HD3 LYS 4 HD1 LYS 4 3.282 -5.833 -3.546
39 HE2 LYS 4 HE2 LYS 4 2.109 -4.829 -5.410
40 HE3 LYS 4 HE1 LYS 4 1.160 -4.640 -3.938
41 HZ1 LYS 4 HZ1 LYS 4 1.937 -2.366 -3.769
42 HZ2 LYS 4 HZ2 LYS 4 1.186 -2.620 -5.258
43 HZ3 LYS 4 HZ3 LYS 4 2.870 -2.548 -5.167
44 HA PRO 5 HA PRO 5 1.056 -4.041 2.794
45 HB2 PRO 5 HB2 PRO 5 -0.271 -1.868 1.281
46 HB3 PRO 5 HB1 PRO 5 0.061 -1.992 3.018
47 HG2 PRO 5 HG2 PRO 5 1.414 -0.315 1.452
48 HG3 PRO 5 HG1 PRO 5 2.176 -1.146 2.822
49 HD2 PRO 5 HD2 PRO 5 2.395 -1.715 -0.092
50 HD3 PRO 5 HD1 PRO 5 3.626 -1.843 1.183
51 H LYS 6 HN LYS 6 -1.034 -4.899 2.668
52 HA LYS 6 HA LYS 6 -1.552 -6.373 0.271
53 HB2 LYS 6 HB2 LYS 6 -3.139 -6.087 2.828
54 HB3 LYS 6 HB1 LYS 6 -3.539 -7.210 1.535
55 HG2 LYS 6 HG2 LYS 6 -1.380 -8.332 1.867
56 HG3 LYS 6 HG1 LYS 6 -1.024 -7.220 3.191
57 HD2 LYS 6 HD2 LYS 6 -2.980 -8.019 4.403
58 HD3 LYS 6 HD1 LYS 6 -3.370 -9.111 3.072
59 HE2 LYS 6 HE2 LYS 6 -1.268 -10.297 3.420
60 HE3 LYS 6 HE1 LYS 6 -0.853 -9.195 4.732
61 HZ1 LYS 6 HZ1 LYS 6 -1.748 -11.245 5.596
62 HZ2 LYS 6 HZ2 LYS 6 -3.160 -11.062 4.688
63 HZ3 LYS 6 HZ3 LYS 6 -2.812 -9.975 5.936
64 H LYS 7 HN LYS 7 -2.647 -5.679 -1.419
65 HA LYS 7 HA LYS 7 -4.087 -3.217 -1.385
66 HB2 LYS 7 HB2 LYS 7 -2.888 -4.003 -3.410
67 HB3 LYS 7 HB1 LYS 7 -4.001 -5.361 -3.525
68 HG2 LYS 7 HG2 LYS 7 -5.871 -3.728 -3.765
69 HG3 LYS 7 HG1 LYS 7 -4.660 -2.440 -3.842
70 HD2 LYS 7 HD2 LYS 7 -3.694 -3.418 -5.834
71 HD3 LYS 7 HD1 LYS 7 -4.799 -4.793 -5.728
72 HE2 LYS 7 HE2 LYS 7 -5.597 -1.910 -6.144
73 HE3 LYS 7 HE1 LYS 7 -5.558 -3.155 -7.391
74 HZ1 LYS 7 HZ1 LYS 7 -7.797 -2.782 -6.507
75 HZ2 LYS 7 HZ2 LYS 7 -7.274 -3.236 -4.965
76 HZ3 LYS 7 HZ3 LYS 7 -7.268 -4.364 -6.223
77 HA PRO 8 HA PRO 8 -7.961 -5.175 -0.261
78 HB2 PRO 8 HB2 PRO 8 -9.270 -2.892 0.341
79 HB3 PRO 8 HB1 PRO 8 -8.044 -3.576 1.426
80 HG2 PRO 8 HG2 PRO 8 -7.856 -1.264 -0.408
81 HG3 PRO 8 HG1 PRO 8 -7.094 -1.532 1.170
82 HD2 PRO 8 HD2 PRO 8 -5.866 -1.865 -1.309
83 HD3 PRO 8 HD1 PRO 8 -5.274 -2.490 0.245
84 H GLY 9 HN GLY 9 -10.126 -5.134 -1.125
85 HA2 GLY 9 HA2 GLY 9 -11.078 -3.355 -3.039
86 HA3 GLY 9 HA1 GLY 9 -10.269 -4.649 -3.905
87 H ASP 10 HN ASP 10 -10.923 -6.714 -2.058
88 HA ASP 10 HA ASP 10 -13.531 -7.375 -3.017
89 HB2 ASP 10 HB2 ASP 10 -11.874 -8.793 -0.918
90 HB3 ASP 10 HB1 ASP 10 -13.264 -9.455 -1.769
91 H ASN 11 HN ASN 11 -15.136 -6.149 -2.237
92 HA ASN 11 HA ASN 11 -16.716 -5.348 -0.798
93 HB2 ASN 11 HB2 ASN 11 -15.472 -7.415 1.002
94 HB3 ASN 11 HB1 ASN 11 -16.798 -6.395 1.536
95 HD21 ASN 11 HD21 ASN 11 -16.456 -7.636 -1.726
96 HD22 ASN 11 HD22 ASN 11 -17.810 -8.708 -1.654
97 H ALA 12 HN ALA 12 -14.095 -4.069 -1.026
98 HA ALA 12 HA ALA 12 -13.837 -2.860 1.640
99 HB1 ALA 12 HB1 ALA 12 -11.778 -3.830 0.766
100 HB2 ALA 12 HB2 ALA 12 -11.640 -2.081 0.934
101 HB3 ALA 12 HB3 ALA 12 -11.891 -2.795 -0.658
102 H THR 13 HN THR 13 -13.688 -0.599 1.844
103 HA THR 13 HA THR 13 -15.417 0.799 0.008
104 HB THR 13 HB THR 13 -15.204 2.675 1.600
105 HG1 THR 13 HG1 THR 13 -14.066 1.773 3.675
106 HG21 THR 13 HG21 THR 13 -16.345 1.624 3.458
107 HG22 THR 13 HG22 THR 13 -15.752 0.041 2.959
108 HG23 THR 13 HG23 THR 13 -16.894 0.916 1.940
109 HA PRO 14 HA PRO 14 -12.373 3.009 -2.418
110 HB2 PRO 14 HB2 PRO 14 -13.938 5.437 -1.635
111 HB3 PRO 14 HB1 PRO 14 -13.423 4.903 -3.250
112 HG2 PRO 14 HG2 PRO 14 -15.921 4.609 -2.537
113 HG3 PRO 14 HG1 PRO 14 -15.081 3.299 -3.397
114 HD2 PRO 14 HD2 PRO 14 -15.743 3.508 -0.481
115 HD3 PRO 14 HD1 PRO 14 -15.815 2.096 -1.553
116 H GLU 15 HN GLU 15 -13.341 4.272 0.733
117 HA GLU 15 HA GLU 15 -11.130 5.964 1.168
118 HB2 GLU 15 HB2 GLU 15 -13.228 6.008 2.513
119 HB3 GLU 15 HB1 GLU 15 -12.762 4.476 3.237
120 HG2 GLU 15 HG2 GLU 15 -12.187 6.148 4.786
121 HG3 GLU 15 HG1 GLU 15 -10.679 5.616 4.052
122 H LYS 16 HN LYS 16 -11.675 2.537 1.723
123 HA LYS 16 HA LYS 16 -9.296 2.027 3.161
124 HB2 LYS 16 HB2 LYS 16 -11.199 0.502 3.216
125 HB3 LYS 16 HB1 LYS 16 -11.044 0.206 1.490
126 HG2 LYS 16 HG2 LYS 16 -10.162 -1.661 2.716
127 HG3 LYS 16 HG1 LYS 16 -8.841 -0.824 1.898
128 HD2 LYS 16 HD2 LYS 16 -8.239 0.290 3.978
129 HD3 LYS 16 HD1 LYS 16 -9.589 -0.493 4.801
130 HE2 LYS 16 HE2 LYS 16 -8.590 -2.678 4.394
131 HE3 LYS 16 HE1 LYS 16 -7.261 -1.922 3.518
132 HZ1 LYS 16 HZ1 LYS 16 -6.585 -0.814 5.533
133 HZ2 LYS 16 HZ2 LYS 16 -6.667 -2.481 5.805
134 HZ3 LYS 16 HZ3 LYS 16 -7.892 -1.471 6.383
135 H LEU 17 HN LEU 17 -10.147 1.990 -0.251
136 HA LEU 17 HA LEU 17 -7.649 1.049 -1.192
137 HB2 LEU 17 HB2 LEU 17 -9.989 2.400 -2.427
138 HB3 LEU 17 HB1 LEU 17 -8.472 2.444 -3.303
139 HG LEU 17 HG LEU 17 -9.798 0.620 -4.124
140 HD11 LEU 17 HD11 LEU 17 -8.268 -1.235 -3.787
141 HD12 LEU 17 HD12 LEU 17 -7.574 -0.432 -2.381
142 HD13 LEU 17 HD13 LEU 17 -7.380 0.276 -3.984
143 HD21 LEU 17 HD21 LEU 17 -11.214 0.317 -2.142
144 HD22 LEU 17 HD22 LEU 17 -9.856 -0.438 -1.303
145 HD23 LEU 17 HD23 LEU 17 -10.549 -1.205 -2.731
146 H ALA 18 HN ALA 18 -8.952 4.303 -0.688
147 HA ALA 18 HA ALA 18 -6.784 5.745 -1.703
148 HB1 ALA 18 HB1 ALA 18 -7.632 7.616 -0.429
149 HB2 ALA 18 HB2 ALA 18 -8.598 6.529 0.568
150 HB3 ALA 18 HB3 ALA 18 -8.975 6.723 -1.144
151 H ALA 19 HN ALA 19 -7.397 4.365 1.469
152 HA ALA 19 HA ALA 19 -5.141 5.351 2.804
153 HB1 ALA 19 HB1 ALA 19 -6.532 2.711 3.211
154 HB2 ALA 19 HB2 ALA 19 -7.015 4.243 3.935
155 HB3 ALA 19 HB3 ALA 19 -5.466 3.516 4.362
156 H TYR 20 HN TYR 20 -5.636 2.405 0.898
157 HA TYR 20 HA TYR 20 -3.044 1.372 1.218
158 HB2 TYR 20 HB2 TYR 20 -4.850 -0.029 0.373
159 HB3 TYR 20 HB1 TYR 20 -4.973 0.973 -1.071
160 HD1 TYR 20 HD1 TYR 20 -2.711 -1.292 0.776
161 HD2 TYR 20 HD2 TYR 20 -3.577 0.578 -2.941
162 HE1 TYR 20 HE1 TYR 20 -1.002 -2.679 -0.316
163 HE2 TYR 20 HE2 TYR 20 -1.866 -0.811 -4.044
164 HH TYR 20 HH TYR 20 -0.429 -3.508 -2.486
165 H GLU 21 HN GLU 21 -4.437 3.520 -1.214
166 HA GLU 21 HA GLU 21 -2.242 3.660 -2.934
167 HB2 GLU 21 HB2 GLU 21 -4.331 5.732 -2.262
168 HB3 GLU 21 HB1 GLU 21 -3.162 5.918 -3.559
169 HG2 GLU 21 HG2 GLU 21 -5.145 3.657 -3.381
170 HG3 GLU 21 HG1 GLU 21 -5.402 5.140 -4.294
171 H LYS 22 HN LYS 22 -2.879 5.254 0.111
172 HA LYS 22 HA LYS 22 -0.627 7.010 -0.042
173 HB2 LYS 22 HB2 LYS 22 -2.556 7.564 1.354
174 HB3 LYS 22 HB1 LYS 22 -2.280 6.132 2.334
175 HG2 LYS 22 HG2 LYS 22 -1.498 8.166 3.439
176 HG3 LYS 22 HG1 LYS 22 -0.178 7.042 3.122
177 HD2 LYS 22 HD2 LYS 22 0.538 9.286 2.602
178 HD3 LYS 22 HD1 LYS 22 0.414 8.353 1.113
179 HE2 LYS 22 HE2 LYS 22 -0.503 10.547 0.745
180 HE3 LYS 22 HE1 LYS 22 -1.809 9.367 0.715
181 HZ1 LYS 22 HZ1 LYS 22 -1.105 11.068 3.045
182 HZ2 LYS 22 HZ2 LYS 22 -2.404 9.987 2.955
183 HZ3 LYS 22 HZ3 LYS 22 -2.380 11.364 1.974
184 H GLU 23 HN GLU 23 -1.305 3.873 1.455
185 HA GLU 23 HA GLU 23 1.199 3.516 2.702
186 HB2 GLU 23 HB2 GLU 23 -0.659 1.398 1.588
187 HB3 GLU 23 HB1 GLU 23 0.645 1.115 2.732
188 HG2 GLU 23 HG2 GLU 23 -0.512 2.496 4.385
189 HG3 GLU 23 HG1 GLU 23 -1.827 2.762 3.233
190 H LEU 24 HN LEU 24 0.004 2.858 -0.513
191 HA LEU 24 HA LEU 24 2.232 1.452 -1.512
192 HB2 LEU 24 HB2 LEU 24 -0.003 1.559 -2.607
193 HB3 LEU 24 HB1 LEU 24 0.309 3.233 -3.018
194 HG LEU 24 HG LEU 24 2.204 2.553 -4.422
195 HD11 LEU 24 HD11 LEU 24 2.843 0.529 -3.225
196 HD12 LEU 24 HD12 LEU 24 2.573 0.201 -4.937
197 HD13 LEU 24 HD13 LEU 24 1.355 -0.259 -3.749
198 HD21 LEU 24 HD21 LEU 24 -0.341 1.076 -5.068
199 HD22 LEU 24 HD22 LEU 24 0.911 1.558 -6.214
200 HD23 LEU 24 HD23 LEU 24 -0.040 2.785 -5.377
201 H ALA 25 HN ALA 25 1.382 4.888 -1.526
202 HA ALA 25 HA ALA 25 3.599 5.812 -2.961
203 HB1 ALA 25 HB1 ALA 25 1.603 7.160 -2.482
204 HB2 ALA 25 HB2 ALA 25 3.090 7.990 -2.020
205 HB3 ALA 25 HB3 ALA 25 2.079 7.238 -0.786
206 H ALA 26 HN ALA 26 3.106 5.317 0.506
207 HA ALA 26 HA ALA 26 5.636 6.247 1.340
208 HB1 ALA 26 HB1 ALA 26 3.732 5.978 2.861
209 HB2 ALA 26 HB2 ALA 26 5.158 5.118 3.439
210 HB3 ALA 26 HB3 ALA 26 3.841 4.228 2.675
211 H TYR 27 HN TYR 27 4.433 3.078 0.388
212 HA TYR 27 HA TYR 27 6.764 1.619 1.000
213 HB2 TYR 27 HB2 TYR 27 4.714 0.417 0.680
214 HB3 TYR 27 HB1 TYR 27 4.519 1.071 -0.947
215 HD1 TYR 27 HD1 TYR 27 5.468 -0.016 -2.798
216 HD2 TYR 27 HD2 TYR 27 6.635 -1.151 1.126
217 HE1 TYR 27 HE1 TYR 27 6.697 -1.936 -3.726
218 HE2 TYR 27 HE2 TYR 27 7.867 -3.076 0.213
219 HH TYR 27 HH TYR 27 7.946 -4.455 -1.734
220 H GLU 28 HN GLU 28 5.619 3.070 -2.038
221 HA GLU 28 HA GLU 28 7.749 2.208 -3.640
222 HB2 GLU 28 HB2 GLU 28 6.014 4.673 -3.888
223 HB3 GLU 28 HB1 GLU 28 7.116 4.110 -5.136
224 HG2 GLU 28 HG2 GLU 28 4.771 2.546 -4.059
225 HG3 GLU 28 HG1 GLU 28 4.789 3.467 -5.564
226 H LYS 29 HN LYS 29 7.436 4.898 -1.445
227 HA LYS 29 HA LYS 29 9.732 6.353 -2.191
228 HB2 LYS 29 HB2 LYS 29 7.930 7.195 -0.688
229 HB3 LYS 29 HB1 LYS 29 8.478 6.078 0.552
230 HG2 LYS 29 HG2 LYS 29 9.311 8.283 1.033
231 HG3 LYS 29 HG1 LYS 29 10.656 7.228 0.596
232 HD2 LYS 29 HD2 LYS 29 10.703 8.173 -1.647
233 HD3 LYS 29 HD1 LYS 29 9.302 9.179 -1.274
234 HE2 LYS 29 HE2 LYS 29 11.363 10.471 -1.123
235 HE3 LYS 29 HE1 LYS 29 10.586 10.336 0.452
236 HZ1 LYS 29 HZ1 LYS 29 12.142 8.561 1.010
237 HZ2 LYS 29 HZ2 LYS 29 12.955 9.991 0.635
238 HZ3 LYS 29 HZ3 LYS 29 12.901 8.732 -0.491
239 H GLU 30 HN GLU 30 9.204 3.816 0.230
240 HA GLU 30 HA GLU 30 11.924 3.613 1.022
241 HB2 GLU 30 HB2 GLU 30 9.674 1.605 1.252
242 HB3 GLU 30 HB1 GLU 30 11.225 1.484 2.066
243 HG2 GLU 30 HG2 GLU 30 10.769 3.461 3.350
244 HG3 GLU 30 HG1 GLU 30 9.276 3.736 2.452
245 H LEU 31 HN LEU 31 9.975 2.072 -1.429
246 HA LEU 31 HA LEU 31 11.743 0.003 -2.145
247 HB2 LEU 31 HB2 LEU 31 9.329 0.190 -2.801
248 HB3 LEU 31 HB1 LEU 31 9.790 1.435 -3.948
249 HG LEU 31 HG LEU 31 11.222 -0.214 -5.118
250 HD11 LEU 31 HD11 LEU 31 11.669 -1.707 -3.258
251 HD12 LEU 31 HD12 LEU 31 10.940 -2.588 -4.601
252 HD13 LEU 31 HD13 LEU 31 9.965 -2.161 -3.195
253 HD21 LEU 31 HD21 LEU 31 8.328 -0.972 -4.778
254 HD22 LEU 31 HD22 LEU 31 9.366 -1.474 -6.111
255 HD23 LEU 31 HD23 LEU 31 8.970 0.230 -5.896
256 H ALA 32 HN ALA 32 11.416 3.325 -3.281
257 HA ALA 32 HA ALA 32 13.247 3.228 -5.385
258 HB1 ALA 32 HB1 ALA 32 13.338 5.650 -5.191
259 HB2 ALA 32 HB2 ALA 32 12.592 5.558 -3.596
260 HB3 ALA 32 HB3 ALA 32 11.682 5.067 -5.024
261 H ALA 33 HN ALA 33 13.716 3.628 -1.938
262 HA ALA 33 HA ALA 33 16.547 4.191 -2.244
263 HB1 ALA 33 HB1 ALA 33 15.333 5.382 -0.535
264 HB2 ALA 33 HB2 ALA 33 16.526 4.322 0.219
265 HB3 ALA 33 HB3 ALA 33 14.822 3.863 0.198
266 H TYR 34 HN TYR 34 14.819 1.486 -2.541
267 HA TYR 34 HA TYR 34 16.795 -0.207 -1.173
268 HB2 TYR 34 HB2 TYR 34 14.484 -0.589 -0.441
269 HB3 TYR 34 HB1 TYR 34 13.988 -0.852 -2.107
270 HD1 TYR 34 HD1 TYR 34 13.744 -3.021 -2.803
271 HD2 TYR 34 HD2 TYR 34 16.501 -2.179 0.320
272 HE1 TYR 34 HE1 TYR 34 14.216 -5.420 -2.584
273 HE2 TYR 34 HE2 TYR 34 16.987 -4.582 0.546
274 HH TYR 34 HH TYR 34 15.939 -6.887 -1.762
275 HN1 NH2 35 HN1 NH2 35 18.001 -1.594 -2.343
276 HN2 NH2 35 HN2 NH2 35 17.915 -1.774 -4.059
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 12.994 -3.283 4.064
2 H2 ACE 0 HA2 ACE 0 14.490 -2.875 4.904
3 H3 ACE 0 HA3 ACE 0 13.648 -4.360 5.336
4 HA PRO 1 HA PRO 1 13.321 -4.889 1.054
5 HB2 PRO 1 HB2 PRO 1 11.853 -7.252 2.081
6 HB3 PRO 1 HB1 PRO 1 12.620 -7.012 0.501
7 HG2 PRO 1 HG2 PRO 1 13.665 -8.664 2.293
8 HG3 PRO 1 HG1 PRO 1 14.689 -7.657 1.246
9 HD2 PRO 1 HD2 PRO 1 13.962 -7.241 4.124
10 HD3 PRO 1 HD1 PRO 1 15.527 -7.006 3.319
11 HA PRO 2 HA PRO 2 10.232 -2.622 3.396
12 HB2 PRO 2 HB2 PRO 2 9.230 -1.831 0.760
13 HB3 PRO 2 HB1 PRO 2 9.895 -0.823 2.054
14 HG2 PRO 2 HG2 PRO 2 11.175 -1.318 -0.280
15 HG3 PRO 2 HG1 PRO 2 11.988 -0.911 1.239
16 HD2 PRO 2 HD2 PRO 2 11.784 -3.524 -0.140
17 HD3 PRO 2 HD1 PRO 2 13.044 -2.907 0.949
18 H LYS 3 HN LYS 3 8.079 -2.910 3.836
19 HA LYS 3 HA LYS 3 6.905 -5.302 2.635
20 HB2 LYS 3 HB2 LYS 3 6.060 -3.726 5.076
21 HB3 LYS 3 HB1 LYS 3 5.356 -5.247 4.546
22 HG2 LYS 3 HG2 LYS 3 8.203 -4.846 5.440
23 HG3 LYS 3 HG1 LYS 3 6.906 -5.566 6.396
24 HD2 LYS 3 HD2 LYS 3 6.690 -7.361 4.747
25 HD3 LYS 3 HD1 LYS 3 7.983 -6.637 3.788
26 HE2 LYS 3 HE2 LYS 3 8.262 -7.631 6.618
27 HE3 LYS 3 HE1 LYS 3 8.764 -8.517 5.181
28 HZ1 LYS 3 HZ1 LYS 3 10.298 -6.693 4.670
29 HZ2 LYS 3 HZ2 LYS 3 10.635 -7.398 6.171
30 HZ3 LYS 3 HZ3 LYS 3 9.844 -5.907 6.099
31 H LYS 4 HN LYS 4 5.435 -5.111 1.089
32 HA LYS 4 HA LYS 4 4.214 -2.546 0.559
33 HB2 LYS 4 HB2 LYS 4 4.957 -3.924 -1.338
34 HB3 LYS 4 HB1 LYS 4 3.875 -5.220 -0.830
35 HG2 LYS 4 HG2 LYS 4 1.950 -3.722 -1.212
36 HG3 LYS 4 HG1 LYS 4 3.060 -2.491 -1.813
37 HD2 LYS 4 HD2 LYS 4 3.727 -3.909 -3.639
38 HD3 LYS 4 HD1 LYS 4 2.784 -5.252 -2.989
39 HE2 LYS 4 HE2 LYS 4 0.726 -3.995 -3.323
40 HE3 LYS 4 HE1 LYS 4 1.644 -2.613 -3.916
41 HZ1 LYS 4 HZ1 LYS 4 0.666 -3.970 -5.694
42 HZ2 LYS 4 HZ2 LYS 4 1.608 -5.286 -5.204
43 HZ3 LYS 4 HZ3 LYS 4 2.354 -3.889 -5.799
44 HA PRO 5 HA PRO 5 0.628 -3.408 3.083
45 HB2 PRO 5 HB2 PRO 5 -1.046 -1.623 1.791
46 HB3 PRO 5 HB1 PRO 5 0.066 -1.190 3.102
47 HG2 PRO 5 HG2 PRO 5 0.407 -0.883 0.164
48 HG3 PRO 5 HG1 PRO 5 0.874 0.213 1.480
49 HD2 PRO 5 HD2 PRO 5 2.690 -1.322 0.255
50 HD3 PRO 5 HD1 PRO 5 2.773 -0.997 2.001
51 H LYS 6 HN LYS 6 -1.172 -4.651 2.884
52 HA LYS 6 HA LYS 6 -1.491 -6.091 0.417
53 HB2 LYS 6 HB2 LYS 6 -2.967 -6.243 3.053
54 HB3 LYS 6 HB1 LYS 6 -3.206 -7.360 1.715
55 HG2 LYS 6 HG2 LYS 6 -0.905 -8.101 1.891
56 HG3 LYS 6 HG1 LYS 6 -0.606 -6.930 3.174
57 HD2 LYS 6 HD2 LYS 6 -2.183 -8.050 4.619
58 HD3 LYS 6 HD1 LYS 6 -2.618 -9.172 3.328
59 HE2 LYS 6 HE2 LYS 6 -1.081 -10.223 4.896
60 HE3 LYS 6 HE1 LYS 6 -0.325 -10.036 3.315
61 HZ1 LYS 6 HZ1 LYS 6 1.193 -9.434 5.082
62 HZ2 LYS 6 HZ2 LYS 6 0.112 -8.272 5.664
63 HZ3 LYS 6 HZ3 LYS 6 0.828 -8.076 4.146
64 H LYS 7 HN LYS 7 -2.678 -5.363 -1.198
65 HA LYS 7 HA LYS 7 -4.286 -3.053 -0.990
66 HB2 LYS 7 HB2 LYS 7 -3.111 -3.656 -3.065
67 HB3 LYS 7 HB1 LYS 7 -4.128 -5.082 -3.230
68 HG2 LYS 7 HG2 LYS 7 -6.107 -3.590 -3.378
69 HG3 LYS 7 HG1 LYS 7 -5.003 -2.204 -3.385
70 HD2 LYS 7 HD2 LYS 7 -3.959 -3.025 -5.424
71 HD3 LYS 7 HD1 LYS 7 -4.983 -4.460 -5.398
72 HE2 LYS 7 HE2 LYS 7 -6.969 -2.933 -5.546
73 HE3 LYS 7 HE1 LYS 7 -5.847 -1.598 -5.806
74 HZ1 LYS 7 HZ1 LYS 7 -6.118 -3.996 -7.529
75 HZ2 LYS 7 HZ2 LYS 7 -5.019 -2.736 -7.776
76 HZ3 LYS 7 HZ3 LYS 7 -6.681 -2.445 -7.891
77 HA PRO 8 HA PRO 8 -8.121 -5.116 0.184
78 HB2 PRO 8 HB2 PRO 8 -9.196 -2.394 0.171
79 HB3 PRO 8 HB1 PRO 8 -9.039 -3.519 1.529
80 HG2 PRO 8 HG2 PRO 8 -7.569 -1.279 1.322
81 HG3 PRO 8 HG1 PRO 8 -6.987 -2.757 2.113
82 HD2 PRO 8 HD2 PRO 8 -6.355 -1.704 -0.611
83 HD3 PRO 8 HD1 PRO 8 -5.295 -2.497 0.580
84 H GLY 9 HN GLY 9 -8.971 -6.072 -1.589
85 HA2 GLY 9 HA2 GLY 9 -9.993 -4.299 -3.715
86 HA3 GLY 9 HA1 GLY 9 -9.296 -5.876 -4.049
87 H ASP 10 HN ASP 10 -10.414 -7.441 -2.170
88 HA ASP 10 HA ASP 10 -13.138 -7.657 -3.116
89 HB2 ASP 10 HB2 ASP 10 -11.584 -9.411 -1.196
90 HB3 ASP 10 HB1 ASP 10 -13.159 -9.784 -1.882
91 H ASN 11 HN ASN 11 -14.784 -6.727 -2.114
92 HA ASN 11 HA ASN 11 -16.053 -5.665 -0.545
93 HB2 ASN 11 HB2 ASN 11 -16.062 -7.882 0.532
94 HB3 ASN 11 HB1 ASN 11 -14.576 -7.478 1.382
95 HD21 ASN 11 HD21 ASN 11 -18.003 -6.782 1.125
96 HD22 ASN 11 HD22 ASN 11 -18.159 -6.044 2.682
97 H ALA 12 HN ALA 12 -14.767 -3.782 -1.156
98 HA ALA 12 HA ALA 12 -13.797 -2.422 1.163
99 HB1 ALA 12 HB1 ALA 12 -11.560 -1.919 0.331
100 HB2 ALA 12 HB2 ALA 12 -11.832 -2.980 -1.053
101 HB3 ALA 12 HB3 ALA 12 -11.773 -3.653 0.575
102 H THR 13 HN THR 13 -14.122 -0.302 0.976
103 HA THR 13 HA THR 13 -15.346 0.702 -1.434
104 HB THR 13 HB THR 13 -15.626 2.783 -0.085
105 HG1 THR 13 HG1 THR 13 -15.007 2.739 2.091
106 HG21 THR 13 HG21 THR 13 -17.343 1.039 -0.093
107 HG22 THR 13 HG22 THR 13 -17.259 1.860 1.465
108 HG23 THR 13 HG23 THR 13 -16.551 0.256 1.274
109 HA PRO 14 HA PRO 14 -11.868 2.902 -3.216
110 HB2 PRO 14 HB2 PRO 14 -13.657 5.296 -3.148
111 HB3 PRO 14 HB1 PRO 14 -12.725 4.624 -4.501
112 HG2 PRO 14 HG2 PRO 14 -15.320 4.269 -4.419
113 HG3 PRO 14 HG1 PRO 14 -14.245 2.935 -4.895
114 HD2 PRO 14 HD2 PRO 14 -15.655 3.367 -2.294
115 HD3 PRO 14 HD1 PRO 14 -15.384 1.862 -3.189
116 H GLU 15 HN GLU 15 -13.668 4.309 -0.554
117 HA GLU 15 HA GLU 15 -11.748 6.178 0.305
118 HB2 GLU 15 HB2 GLU 15 -14.082 6.220 1.078
119 HB3 GLU 15 HB1 GLU 15 -13.836 4.694 1.913
120 HG2 GLU 15 HG2 GLU 15 -12.205 5.752 3.380
121 HG3 GLU 15 HG1 GLU 15 -12.441 7.280 2.540
122 H LYS 16 HN LYS 16 -12.150 2.736 0.897
123 HA LYS 16 HA LYS 16 -10.189 2.599 2.968
124 HB2 LYS 16 HB2 LYS 16 -12.008 0.944 2.740
125 HB3 LYS 16 HB1 LYS 16 -11.320 0.407 1.211
126 HG2 LYS 16 HG2 LYS 16 -10.723 -1.143 2.950
127 HG3 LYS 16 HG1 LYS 16 -9.277 -0.284 2.418
128 HD2 LYS 16 HD2 LYS 16 -9.400 1.180 4.349
129 HD3 LYS 16 HD1 LYS 16 -10.904 0.416 4.863
130 HE2 LYS 16 HE2 LYS 16 -8.249 -0.990 4.603
131 HE3 LYS 16 HE1 LYS 16 -8.930 -0.389 6.114
132 HZ1 LYS 16 HZ1 LYS 16 -10.779 -1.889 5.868
133 HZ2 LYS 16 HZ2 LYS 16 -9.334 -2.764 5.780
134 HZ3 LYS 16 HZ3 LYS 16 -10.204 -2.427 4.372
135 H LEU 17 HN LEU 17 -10.208 2.339 -0.499
136 HA LEU 17 HA LEU 17 -7.606 1.299 -0.835
137 HB2 LEU 17 HB2 LEU 17 -9.544 2.734 -2.575
138 HB3 LEU 17 HB1 LEU 17 -7.872 2.668 -3.098
139 HG LEU 17 HG LEU 17 -9.140 0.901 -4.153
140 HD11 LEU 17 HD11 LEU 17 -7.302 -0.184 -2.027
141 HD12 LEU 17 HD12 LEU 17 -6.830 0.410 -3.620
142 HD13 LEU 17 HD13 LEU 17 -7.818 -1.042 -3.479
143 HD21 LEU 17 HD21 LEU 17 -9.777 -0.089 -1.379
144 HD22 LEU 17 HD22 LEU 17 -10.204 -0.878 -2.895
145 HD23 LEU 17 HD23 LEU 17 -10.915 0.680 -2.483
146 H ALA 18 HN ALA 18 -8.788 4.464 -0.090
147 HA ALA 18 HA ALA 18 -6.604 6.018 -0.882
148 HB1 ALA 18 HB1 ALA 18 -8.415 6.431 1.487
149 HB2 ALA 18 HB2 ALA 18 -8.742 6.961 -0.163
150 HB3 ALA 18 HB3 ALA 18 -7.392 7.654 0.734
151 H ALA 19 HN ALA 19 -7.250 4.260 2.109
152 HA ALA 19 HA ALA 19 -4.940 4.949 3.514
153 HB1 ALA 19 HB1 ALA 19 -6.888 3.802 4.491
154 HB2 ALA 19 HB2 ALA 19 -5.366 2.995 4.864
155 HB3 ALA 19 HB3 ALA 19 -6.432 2.336 3.622
156 H TYR 20 HN TYR 20 -5.591 2.303 1.262
157 HA TYR 20 HA TYR 20 -3.094 1.046 1.440
158 HB2 TYR 20 HB2 TYR 20 -4.861 -0.151 0.374
159 HB3 TYR 20 HB1 TYR 20 -5.136 1.151 -0.777
160 HD1 TYR 20 HD1 TYR 20 -2.470 -1.230 0.275
161 HD2 TYR 20 HD2 TYR 20 -4.227 0.979 -2.895
162 HE1 TYR 20 HE1 TYR 20 -0.949 -2.328 -1.323
163 HE2 TYR 20 HE2 TYR 20 -2.719 -0.108 -4.506
164 HH TYR 20 HH TYR 20 -0.599 -1.258 -4.562
165 H GLU 21 HN GLU 21 -4.289 3.519 -0.808
166 HA GLU 21 HA GLU 21 -1.923 3.733 -2.305
167 HB2 GLU 21 HB2 GLU 21 -4.136 5.725 -1.811
168 HB3 GLU 21 HB1 GLU 21 -2.818 6.013 -2.934
169 HG2 GLU 21 HG2 GLU 21 -3.510 3.974 -4.183
170 HG3 GLU 21 HG1 GLU 21 -4.900 3.842 -3.102
171 H LYS 22 HN LYS 22 -2.907 5.190 0.718
172 HA LYS 22 HA LYS 22 -0.884 7.164 0.844
173 HB2 LYS 22 HB2 LYS 22 -2.942 7.168 2.234
174 HB3 LYS 22 HB1 LYS 22 -2.319 5.786 3.121
175 HG2 LYS 22 HG2 LYS 22 -1.988 7.814 4.384
176 HG3 LYS 22 HG1 LYS 22 -0.432 7.146 3.893
177 HD2 LYS 22 HD2 LYS 22 -0.224 8.765 2.131
178 HD3 LYS 22 HD1 LYS 22 -1.862 9.352 2.412
179 HE2 LYS 22 HE2 LYS 22 -0.166 10.856 3.352
180 HE3 LYS 22 HE1 LYS 22 -1.216 10.187 4.598
181 HZ1 LYS 22 HZ1 LYS 22 1.097 10.165 5.282
182 HZ2 LYS 22 HZ2 LYS 22 1.516 9.228 3.941
183 HZ3 LYS 22 HZ3 LYS 22 0.514 8.586 5.138
184 H GLU 23 HN GLU 23 -1.125 3.867 2.123
185 HA GLU 23 HA GLU 23 1.522 3.875 3.201
186 HB2 GLU 23 HB2 GLU 23 -0.373 1.601 2.570
187 HB3 GLU 23 HB1 GLU 23 1.168 1.400 3.400
188 HG2 GLU 23 HG2 GLU 23 0.332 2.952 5.166
189 HG3 GLU 23 HG1 GLU 23 -1.243 2.926 4.362
190 H LEU 24 HN LEU 24 0.073 3.027 0.161
191 HA LEU 24 HA LEU 24 2.201 1.565 -0.963
192 HB2 LEU 24 HB2 LEU 24 -0.136 1.688 -1.855
193 HB3 LEU 24 HB1 LEU 24 0.212 3.313 -2.415
194 HG LEU 24 HG LEU 24 1.988 2.414 -3.881
195 HD11 LEU 24 HD11 LEU 24 2.154 0.027 -4.266
196 HD12 LEU 24 HD12 LEU 24 0.942 -0.278 -3.021
197 HD13 LEU 24 HD13 LEU 24 2.506 0.405 -2.580
198 HD21 LEU 24 HD21 LEU 24 0.488 1.412 -5.520
199 HD22 LEU 24 HD22 LEU 24 -0.266 2.800 -4.733
200 HD23 LEU 24 HD23 LEU 24 -0.727 1.162 -4.267
201 H ALA 25 HN ALA 25 1.411 5.011 -1.006
202 HA ALA 25 HA ALA 25 3.486 5.874 -2.664
203 HB1 ALA 25 HB1 ALA 25 1.603 7.283 -2.007
204 HB2 ALA 25 HB2 ALA 25 3.142 8.067 -1.653
205 HB3 ALA 25 HB3 ALA 25 2.208 7.323 -0.352
206 H ALA 26 HN ALA 26 3.345 5.410 0.829
207 HA ALA 26 HA ALA 26 5.966 6.296 1.396
208 HB1 ALA 26 HB1 ALA 26 4.252 6.132 3.116
209 HB2 ALA 26 HB2 ALA 26 5.662 5.168 3.548
210 HB3 ALA 26 HB3 ALA 26 4.213 4.381 2.927
211 H TYR 27 HN TYR 27 4.569 3.131 0.722
212 HA TYR 27 HA TYR 27 6.891 1.610 1.096
213 HB2 TYR 27 HB2 TYR 27 4.868 0.404 0.993
214 HB3 TYR 27 HB1 TYR 27 4.398 1.163 -0.530
215 HD1 TYR 27 HD1 TYR 27 6.868 -1.164 0.965
216 HD2 TYR 27 HD2 TYR 27 4.916 0.159 -2.563
217 HE1 TYR 27 HE1 TYR 27 7.874 -3.035 -0.283
218 HE2 TYR 27 HE2 TYR 27 5.902 -1.707 -3.824
219 HH TYR 27 HH TYR 27 7.551 -4.307 -2.248
220 H GLU 28 HN GLU 28 5.534 3.090 -1.840
221 HA GLU 28 HA GLU 28 7.496 2.115 -3.594
222 HB2 GLU 28 HB2 GLU 28 5.769 4.587 -3.768
223 HB3 GLU 28 HB1 GLU 28 6.821 4.049 -5.067
224 HG2 GLU 28 HG2 GLU 28 5.578 1.884 -5.085
225 HG3 GLU 28 HG1 GLU 28 4.440 2.589 -3.932
226 H LYS 29 HN LYS 29 7.470 4.847 -1.430
227 HA LYS 29 HA LYS 29 9.770 6.149 -2.435
228 HB2 LYS 29 HB2 LYS 29 8.115 7.140 -0.828
229 HB3 LYS 29 HB1 LYS 29 8.781 6.100 0.423
230 HG2 LYS 29 HG2 LYS 29 9.697 8.344 0.590
231 HG3 LYS 29 HG1 LYS 29 10.957 7.181 0.178
232 HD2 LYS 29 HD2 LYS 29 10.891 7.865 -2.142
233 HD3 LYS 29 HD1 LYS 29 9.524 8.935 -1.823
234 HE2 LYS 29 HE2 LYS 29 11.640 10.163 -1.974
235 HE3 LYS 29 HE1 LYS 29 10.900 10.311 -0.381
236 HZ1 LYS 29 HZ1 LYS 29 12.430 8.667 0.462
237 HZ2 LYS 29 HZ2 LYS 29 13.294 9.923 -0.266
238 HZ3 LYS 29 HZ3 LYS 29 13.108 8.450 -1.071
239 H GLU 30 HN GLU 30 9.307 3.803 0.197
240 HA GLU 30 HA GLU 30 12.038 3.466 0.809
241 HB2 GLU 30 HB2 GLU 30 9.723 1.549 1.173
242 HB3 GLU 30 HB1 GLU 30 11.310 1.350 1.892
243 HG2 GLU 30 HG2 GLU 30 11.025 3.306 3.237
244 HG3 GLU 30 HG1 GLU 30 9.524 3.712 2.404
245 H LEU 31 HN LEU 31 9.904 1.943 -1.506
246 HA LEU 31 HA LEU 31 11.597 -0.159 -2.322
247 HB2 LEU 31 HB2 LEU 31 9.144 0.040 -2.824
248 HB3 LEU 31 HB1 LEU 31 9.539 1.278 -4.004
249 HG LEU 31 HG LEU 31 10.892 -0.394 -5.247
250 HD11 LEU 31 HD11 LEU 31 11.412 -1.889 -3.407
251 HD12 LEU 31 HD12 LEU 31 10.594 -2.766 -4.702
252 HD13 LEU 31 HD13 LEU 31 9.707 -2.311 -3.245
253 HD21 LEU 31 HD21 LEU 31 8.593 0.097 -5.884
254 HD22 LEU 31 HD22 LEU 31 8.009 -1.129 -4.760
255 HD23 LEU 31 HD23 LEU 31 8.973 -1.604 -6.159
256 H ALA 32 HN ALA 32 11.236 3.163 -3.443
257 HA ALA 32 HA ALA 32 12.976 3.015 -5.642
258 HB1 ALA 32 HB1 ALA 32 12.352 5.387 -3.897
259 HB2 ALA 32 HB2 ALA 32 11.405 4.851 -5.283
260 HB3 ALA 32 HB3 ALA 32 13.049 5.441 -5.516
261 H ALA 33 HN ALA 33 13.532 3.566 -2.225
262 HA ALA 33 HA ALA 33 16.316 4.174 -2.520
263 HB1 ALA 33 HB1 ALA 33 14.747 3.377 -0.078
264 HB2 ALA 33 HB2 ALA 33 15.004 5.025 -0.646
265 HB3 ALA 33 HB3 ALA 33 16.371 4.062 -0.086
266 H TYR 34 HN TYR 34 14.418 1.309 -2.238
267 HA TYR 34 HA TYR 34 16.609 -0.370 -1.379
268 HB2 TYR 34 HB2 TYR 34 14.215 -0.761 -0.704
269 HB3 TYR 34 HB1 TYR 34 13.870 -1.184 -2.377
270 HD1 TYR 34 HD1 TYR 34 16.009 -2.148 0.505
271 HD2 TYR 34 HD2 TYR 34 14.128 -3.383 -3.100
272 HE1 TYR 34 HE1 TYR 34 16.642 -4.479 0.981
273 HE2 TYR 34 HE2 TYR 34 14.758 -5.715 -2.639
274 HH TYR 34 HH TYR 34 16.064 -6.698 0.414
275 HN1 NH2 35 HN1 NH2 35 18.124 -0.200 -3.004
276 HN2 NH2 35 HN2 NH2 35 17.897 -0.861 -4.582
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 15.794 -3.353 2.512
2 H2 ACE 0 HA2 ACE 0 15.957 -2.139 3.775
3 H3 ACE 0 HA3 ACE 0 14.537 -2.101 2.732
4 HA PRO 1 HA PRO 1 13.413 -4.606 1.748
5 HB2 PRO 1 HB2 PRO 1 12.110 -6.852 3.214
6 HB3 PRO 1 HB1 PRO 1 12.781 -6.829 1.575
7 HG2 PRO 1 HG2 PRO 1 14.038 -8.074 3.545
8 HG3 PRO 1 HG1 PRO 1 14.927 -7.185 2.291
9 HD2 PRO 1 HD2 PRO 1 14.383 -6.407 5.120
10 HD3 PRO 1 HD1 PRO 1 15.813 -6.088 4.117
11 HA PRO 2 HA PRO 2 9.996 -2.384 3.643
12 HB2 PRO 2 HB2 PRO 2 9.011 -1.347 1.329
13 HB3 PRO 2 HB1 PRO 2 10.438 -0.684 2.147
14 HG2 PRO 2 HG2 PRO 2 10.273 -2.421 -0.248
15 HG3 PRO 2 HG1 PRO 2 11.402 -1.105 0.124
16 HD2 PRO 2 HD2 PRO 2 11.996 -3.784 0.367
17 HD3 PRO 2 HD1 PRO 2 12.835 -2.486 1.240
18 H LYS 3 HN LYS 3 7.931 -2.966 4.035
19 HA LYS 3 HA LYS 3 7.018 -5.415 2.782
20 HB2 LYS 3 HB2 LYS 3 6.936 -5.166 5.235
21 HB3 LYS 3 HB1 LYS 3 5.831 -3.814 5.056
22 HG2 LYS 3 HG2 LYS 3 4.580 -5.760 5.659
23 HG3 LYS 3 HG1 LYS 3 4.201 -5.341 3.988
24 HD2 LYS 3 HD2 LYS 3 5.727 -7.071 3.199
25 HD3 LYS 3 HD1 LYS 3 6.152 -7.471 4.864
26 HE2 LYS 3 HE2 LYS 3 3.424 -7.730 3.605
27 HE3 LYS 3 HE1 LYS 3 4.527 -9.053 3.975
28 HZ1 LYS 3 HZ1 LYS 3 4.343 -8.496 6.325
29 HZ2 LYS 3 HZ2 LYS 3 2.824 -8.838 5.664
30 HZ3 LYS 3 HZ3 LYS 3 3.271 -7.238 5.963
31 H LYS 4 HN LYS 4 5.571 -5.502 1.216
32 HA LYS 4 HA LYS 4 4.233 -3.151 0.272
33 HB2 LYS 4 HB2 LYS 4 4.941 -4.870 -1.317
34 HB3 LYS 4 HB1 LYS 4 3.948 -6.071 -0.496
35 HG2 LYS 4 HG2 LYS 4 1.929 -4.833 -1.151
36 HG3 LYS 4 HG1 LYS 4 2.939 -3.663 -2.007
37 HD2 LYS 4 HD2 LYS 4 3.650 -5.278 -3.576
38 HD3 LYS 4 HD1 LYS 4 3.027 -6.611 -2.603
39 HE2 LYS 4 HE2 LYS 4 1.561 -6.250 -4.478
40 HE3 LYS 4 HE1 LYS 4 0.731 -5.773 -2.999
41 HZ1 LYS 4 HZ1 LYS 4 0.401 -4.202 -4.823
42 HZ2 LYS 4 HZ2 LYS 4 2.065 -3.904 -4.881
43 HZ3 LYS 4 HZ3 LYS 4 1.177 -3.474 -3.507
44 HA PRO 5 HA PRO 5 0.860 -3.581 3.145
45 HB2 PRO 5 HB2 PRO 5 -0.624 -1.724 1.439
46 HB3 PRO 5 HB1 PRO 5 -0.049 -1.500 3.100
47 HG2 PRO 5 HG2 PRO 5 0.997 -0.184 0.997
48 HG3 PRO 5 HG1 PRO 5 1.932 -0.604 2.445
49 HD2 PRO 5 HD2 PRO 5 1.934 -1.891 -0.242
50 HD3 PRO 5 HD1 PRO 5 3.275 -1.642 0.896
51 H LYS 6 HN LYS 6 -1.167 -4.525 3.220
52 HA LYS 6 HA LYS 6 -1.789 -6.352 1.139
53 HB2 LYS 6 HB2 LYS 6 -3.458 -5.477 3.505
54 HB3 LYS 6 HB1 LYS 6 -3.757 -6.897 2.512
55 HG2 LYS 6 HG2 LYS 6 -1.702 -7.906 3.260
56 HG3 LYS 6 HG1 LYS 6 -1.277 -6.449 4.157
57 HD2 LYS 6 HD2 LYS 6 -2.151 -8.082 5.692
58 HD3 LYS 6 HD1 LYS 6 -3.311 -6.761 5.538
59 HE2 LYS 6 HE2 LYS 6 -4.593 -8.119 3.922
60 HE3 LYS 6 HE1 LYS 6 -3.455 -9.444 4.166
61 HZ1 LYS 6 HZ1 LYS 6 -4.080 -9.439 6.530
62 HZ2 LYS 6 HZ2 LYS 6 -5.386 -9.787 5.515
63 HZ3 LYS 6 HZ3 LYS 6 -5.246 -8.254 6.210
64 H LYS 7 HN LYS 7 -2.620 -5.733 -0.750
65 HA LYS 7 HA LYS 7 -4.030 -3.262 -1.037
66 HB2 LYS 7 HB2 LYS 7 -2.592 -4.093 -2.850
67 HB3 LYS 7 HB1 LYS 7 -3.624 -5.508 -3.027
68 HG2 LYS 7 HG2 LYS 7 -5.509 -4.006 -3.611
69 HG3 LYS 7 HG1 LYS 7 -4.385 -2.641 -3.563
70 HD2 LYS 7 HD2 LYS 7 -3.120 -3.528 -5.385
71 HD3 LYS 7 HD1 LYS 7 -4.011 -5.053 -5.336
72 HE2 LYS 7 HE2 LYS 7 -5.150 -2.344 -6.047
73 HE3 LYS 7 HE1 LYS 7 -4.789 -3.647 -7.177
74 HZ1 LYS 7 HZ1 LYS 7 -7.134 -3.587 -6.628
75 HZ2 LYS 7 HZ2 LYS 7 -6.790 -3.764 -4.982
76 HZ3 LYS 7 HZ3 LYS 7 -6.439 -5.021 -6.060
77 HA PRO 8 HA PRO 8 -8.105 -5.010 -0.231
78 HB2 PRO 8 HB2 PRO 8 -8.984 -2.310 -0.989
79 HB3 PRO 8 HB1 PRO 8 -9.205 -3.166 0.544
80 HG2 PRO 8 HG2 PRO 8 -7.567 -1.068 0.309
81 HG3 PRO 8 HG1 PRO 8 -7.247 -2.417 1.416
82 HD2 PRO 8 HD2 PRO 8 -6.027 -1.828 -1.241
83 HD3 PRO 8 HD1 PRO 8 -5.277 -2.468 0.242
84 H GLY 9 HN GLY 9 -9.824 -5.616 -1.594
85 HA2 GLY 9 HA2 GLY 9 -9.578 -4.741 -4.392
86 HA3 GLY 9 HA1 GLY 9 -9.654 -6.449 -4.004
87 H ASP 10 HN ASP 10 -11.619 -7.370 -3.432
88 HA ASP 10 HA ASP 10 -13.827 -5.972 -4.669
89 HB2 ASP 10 HB2 ASP 10 -13.397 -8.317 -5.234
90 HB3 ASP 10 HB1 ASP 10 -13.677 -8.780 -3.560
91 H ASN 11 HN ASN 11 -12.972 -7.090 -1.460
92 HA ASN 11 HA ASN 11 -15.533 -6.035 -0.470
93 HB2 ASN 11 HB2 ASN 11 -13.709 -8.116 0.743
94 HB3 ASN 11 HB1 ASN 11 -15.083 -7.406 1.583
95 HD21 ASN 11 HD21 ASN 11 -16.830 -7.242 -0.628
96 HD22 ASN 11 HD22 ASN 11 -17.299 -8.848 -1.053
97 H ALA 12 HN ALA 12 -14.406 -3.944 -0.770
98 HA ALA 12 HA ALA 12 -13.494 -3.011 1.775
99 HB1 ALA 12 HB1 ALA 12 -11.361 -2.099 1.013
100 HB2 ALA 12 HB2 ALA 12 -11.585 -2.878 -0.553
101 HB3 ALA 12 HB3 ALA 12 -11.386 -3.858 0.899
102 H THR 13 HN THR 13 -13.529 -0.748 1.937
103 HA THR 13 HA THR 13 -15.283 0.522 0.032
104 HB THR 13 HB THR 13 -15.136 2.451 1.626
105 HG1 THR 13 HG1 THR 13 -14.100 1.016 3.679
106 HG21 THR 13 HG21 THR 13 -16.452 1.387 3.367
107 HG22 THR 13 HG22 THR 13 -15.863 -0.199 2.869
108 HG23 THR 13 HG23 THR 13 -16.892 0.737 1.788
109 HA PRO 14 HA PRO 14 -12.306 2.777 -2.404
110 HB2 PRO 14 HB2 PRO 14 -13.974 5.172 -1.753
111 HB3 PRO 14 HB1 PRO 14 -13.425 4.578 -3.335
112 HG2 PRO 14 HG2 PRO 14 -15.919 4.228 -2.619
113 HG3 PRO 14 HG1 PRO 14 -15.026 2.918 -3.422
114 HD2 PRO 14 HD2 PRO 14 -15.726 3.209 -0.528
115 HD3 PRO 14 HD1 PRO 14 -15.718 1.754 -1.542
116 H GLU 15 HN GLU 15 -13.355 4.118 0.674
117 HA GLU 15 HA GLU 15 -11.254 5.941 1.077
118 HB2 GLU 15 HB2 GLU 15 -13.316 5.981 2.389
119 HB3 GLU 15 HB1 GLU 15 -12.923 4.418 3.084
120 HG2 GLU 15 HG2 GLU 15 -10.957 5.409 4.158
121 HG3 GLU 15 HG1 GLU 15 -11.404 6.976 3.491
122 H LYS 16 HN LYS 16 -11.567 2.500 1.717
123 HA LYS 16 HA LYS 16 -9.166 2.263 3.215
124 HB2 LYS 16 HB2 LYS 16 -10.948 0.619 3.432
125 HB3 LYS 16 HB1 LYS 16 -10.807 0.202 1.729
126 HG2 LYS 16 HG2 LYS 16 -9.775 -1.474 3.176
127 HG3 LYS 16 HG1 LYS 16 -8.598 -0.717 2.105
128 HD2 LYS 16 HD2 LYS 16 -7.840 0.714 3.931
129 HD3 LYS 16 HD1 LYS 16 -9.043 -0.004 5.005
130 HE2 LYS 16 HE2 LYS 16 -7.970 -2.156 4.846
131 HE3 LYS 16 HE1 LYS 16 -6.845 -1.547 3.634
132 HZ1 LYS 16 HZ1 LYS 16 -5.892 -0.083 5.273
133 HZ2 LYS 16 HZ2 LYS 16 -5.857 -1.671 5.850
134 HZ3 LYS 16 HZ3 LYS 16 -7.010 -0.587 6.435
135 H LEU 17 HN LEU 17 -10.013 2.020 -0.180
136 HA LEU 17 HA LEU 17 -7.480 1.150 -1.086
137 HB2 LEU 17 HB2 LEU 17 -9.810 2.477 -2.404
138 HB3 LEU 17 HB1 LEU 17 -8.279 2.381 -3.257
139 HG LEU 17 HG LEU 17 -9.632 0.564 -3.987
140 HD11 LEU 17 HD11 LEU 17 -8.261 -1.341 -3.425
141 HD12 LEU 17 HD12 LEU 17 -7.634 -0.506 -2.005
142 HD13 LEU 17 HD13 LEU 17 -7.248 0.092 -3.619
143 HD21 LEU 17 HD21 LEU 17 -11.208 0.499 -2.123
144 HD22 LEU 17 HD22 LEU 17 -9.962 -0.211 -1.094
145 HD23 LEU 17 HD23 LEU 17 -10.570 -1.103 -2.488
146 H ALA 18 HN ALA 18 -8.878 4.353 -0.572
147 HA ALA 18 HA ALA 18 -6.735 5.856 -1.583
148 HB1 ALA 18 HB1 ALA 18 -8.951 6.790 -1.066
149 HB2 ALA 18 HB2 ALA 18 -7.650 7.700 -0.300
150 HB3 ALA 18 HB3 ALA 18 -8.621 6.578 0.653
151 H ALA 19 HN ALA 19 -7.410 4.520 1.597
152 HA ALA 19 HA ALA 19 -5.162 5.467 2.957
153 HB1 ALA 19 HB1 ALA 19 -6.594 2.849 3.346
154 HB2 ALA 19 HB2 ALA 19 -7.083 4.391 4.042
155 HB3 ALA 19 HB3 ALA 19 -5.551 3.655 4.517
156 H TYR 20 HN TYR 20 -5.660 2.498 1.079
157 HA TYR 20 HA TYR 20 -3.107 1.415 1.429
158 HB2 TYR 20 HB2 TYR 20 -4.818 0.025 0.490
159 HB3 TYR 20 HB1 TYR 20 -5.068 1.139 -0.848
160 HD1 TYR 20 HD1 TYR 20 -2.478 -1.077 0.649
161 HD2 TYR 20 HD2 TYR 20 -3.960 0.801 -2.862
162 HE1 TYR 20 HE1 TYR 20 -0.845 -2.334 -0.703
163 HE2 TYR 20 HE2 TYR 20 -2.333 -0.446 -4.225
164 HH TYR 20 HH TYR 20 -0.299 -1.615 -4.054
165 H GLU 21 HN GLU 21 -4.353 3.661 -1.000
166 HA GLU 21 HA GLU 21 -2.034 3.791 -2.572
167 HB2 GLU 21 HB2 GLU 21 -4.139 5.904 -2.083
168 HB3 GLU 21 HB1 GLU 21 -2.911 6.000 -3.334
169 HG2 GLU 21 HG2 GLU 21 -3.840 3.947 -4.353
170 HG3 GLU 21 HG1 GLU 21 -5.110 3.946 -3.126
171 H LYS 22 HN LYS 22 -2.889 5.382 0.430
172 HA LYS 22 HA LYS 22 -0.748 7.275 0.310
173 HB2 LYS 22 HB2 LYS 22 -2.825 7.662 1.613
174 HB3 LYS 22 HB1 LYS 22 -2.341 6.381 2.715
175 HG2 LYS 22 HG2 LYS 22 -1.843 8.579 3.634
176 HG3 LYS 22 HG1 LYS 22 -0.364 7.659 3.351
177 HD2 LYS 22 HD2 LYS 22 -0.013 8.880 1.253
178 HD3 LYS 22 HD1 LYS 22 -1.489 9.801 1.543
179 HE2 LYS 22 HE2 LYS 22 -0.515 10.733 3.576
180 HE3 LYS 22 HE1 LYS 22 0.952 9.791 3.315
181 HZ1 LYS 22 HZ1 LYS 22 -0.095 11.906 1.517
182 HZ2 LYS 22 HZ2 LYS 22 1.298 10.992 1.241
183 HZ3 LYS 22 HZ3 LYS 22 1.232 12.055 2.552
184 H GLU 23 HN GLU 23 -1.271 4.145 1.854
185 HA GLU 23 HA GLU 23 1.292 4.051 3.098
186 HB2 GLU 23 HB2 GLU 23 -0.614 1.817 2.363
187 HB3 GLU 23 HB1 GLU 23 0.812 1.626 3.374
188 HG2 GLU 23 HG2 GLU 23 -0.170 3.254 4.973
189 HG3 GLU 23 HG1 GLU 23 -1.637 3.270 3.985
190 H LEU 24 HN LEU 24 -0.009 3.163 0.005
191 HA LEU 24 HA LEU 24 2.165 1.688 -1.006
192 HB2 LEU 24 HB2 LEU 24 -0.136 1.832 -2.002
193 HB3 LEU 24 HB1 LEU 24 0.265 3.444 -2.561
194 HG LEU 24 HG LEU 24 2.102 2.494 -3.924
195 HD11 LEU 24 HD11 LEU 24 2.493 0.479 -2.578
196 HD12 LEU 24 HD12 LEU 24 2.232 0.102 -4.279
197 HD13 LEU 24 HD13 LEU 24 0.940 -0.166 -3.110
198 HD21 LEU 24 HD21 LEU 24 -0.609 1.286 -4.447
199 HD22 LEU 24 HD22 LEU 24 0.673 1.527 -5.634
200 HD23 LEU 24 HD23 LEU 24 -0.107 2.919 -4.884
201 H ALA 25 HN ALA 25 1.413 5.128 -0.984
202 HA ALA 25 HA ALA 25 3.533 6.035 -2.559
203 HB1 ALA 25 HB1 ALA 25 3.166 8.196 -1.486
204 HB2 ALA 25 HB2 ALA 25 2.197 7.411 -0.237
205 HB3 ALA 25 HB3 ALA 25 1.635 7.427 -1.908
206 H ALA 26 HN ALA 26 3.332 5.334 0.891
207 HA ALA 26 HA ALA 26 5.964 6.183 1.526
208 HB1 ALA 26 HB1 ALA 26 4.259 5.967 3.245
209 HB2 ALA 26 HB2 ALA 26 5.641 4.939 3.616
210 HB3 ALA 26 HB3 ALA 26 4.167 4.232 2.957
211 H TYR 27 HN TYR 27 4.504 3.086 0.705
212 HA TYR 27 HA TYR 27 6.787 1.494 1.037
213 HB2 TYR 27 HB2 TYR 27 4.709 0.371 0.896
214 HB3 TYR 27 HB1 TYR 27 4.295 1.166 -0.623
215 HD1 TYR 27 HD1 TYR 27 4.906 0.226 -2.683
216 HD2 TYR 27 HD2 TYR 27 6.539 -1.348 0.903
217 HE1 TYR 27 HE1 TYR 27 5.838 -1.664 -3.948
218 HE2 TYR 27 HE2 TYR 27 7.482 -3.246 -0.351
219 HH TYR 27 HH TYR 27 7.245 -4.417 -2.370
220 H GLU 28 HN GLU 28 5.485 3.119 -1.848
221 HA GLU 28 HA GLU 28 7.414 2.137 -3.638
222 HB2 GLU 28 HB2 GLU 28 5.761 4.664 -3.728
223 HB3 GLU 28 HB1 GLU 28 6.791 4.130 -5.047
224 HG2 GLU 28 HG2 GLU 28 5.480 2.024 -5.152
225 HG3 GLU 28 HG1 GLU 28 4.382 2.695 -3.940
226 H LYS 29 HN LYS 29 7.450 4.832 -1.421
227 HA LYS 29 HA LYS 29 9.761 6.115 -2.421
228 HB2 LYS 29 HB2 LYS 29 8.165 7.147 -0.819
229 HB3 LYS 29 HB1 LYS 29 8.735 6.040 0.423
230 HG2 LYS 29 HG2 LYS 29 10.940 7.012 0.346
231 HG3 LYS 29 HG1 LYS 29 10.470 8.056 -0.996
232 HD2 LYS 29 HD2 LYS 29 9.386 8.135 1.823
233 HD3 LYS 29 HD1 LYS 29 10.453 9.318 1.069
234 HE2 LYS 29 HE2 LYS 29 7.605 8.697 0.302
235 HE3 LYS 29 HE1 LYS 29 8.195 10.161 1.079
236 HZ1 LYS 29 HZ1 LYS 29 7.809 10.455 -1.300
237 HZ2 LYS 29 HZ2 LYS 29 8.957 9.265 -1.650
238 HZ3 LYS 29 HZ3 LYS 29 9.432 10.704 -0.899
239 H GLU 30 HN GLU 30 9.273 3.744 0.162
240 HA GLU 30 HA GLU 30 12.004 3.354 0.768
241 HB2 GLU 30 HB2 GLU 30 9.677 1.452 1.120
242 HB3 GLU 30 HB1 GLU 30 11.240 1.322 1.908
243 HG2 GLU 30 HG2 GLU 30 9.390 3.660 2.253
244 HG3 GLU 30 HG1 GLU 30 9.426 2.263 3.325
245 H LEU 31 HN LEU 31 9.814 1.915 -1.550
246 HA LEU 31 HA LEU 31 11.414 -0.268 -2.339
247 HB2 LEU 31 HB2 LEU 31 8.994 -0.028 -2.846
248 HB3 LEU 31 HB1 LEU 31 9.377 1.267 -3.964
249 HG LEU 31 HG LEU 31 10.686 -0.345 -5.323
250 HD11 LEU 31 HD11 LEU 31 10.406 -2.733 -4.909
251 HD12 LEU 31 HD12 LEU 31 9.517 -2.374 -3.428
252 HD13 LEU 31 HD13 LEU 31 11.221 -1.939 -3.561
253 HD21 LEU 31 HD21 LEU 31 7.809 -1.085 -4.818
254 HD22 LEU 31 HD22 LEU 31 8.740 -1.494 -6.259
255 HD23 LEU 31 HD23 LEU 31 8.380 0.193 -5.891
256 H ALA 32 HN ALA 32 11.163 3.048 -3.513
257 HA ALA 32 HA ALA 32 12.857 2.835 -5.719
258 HB1 ALA 32 HB1 ALA 32 13.051 5.242 -5.601
259 HB2 ALA 32 HB2 ALA 32 12.444 5.230 -3.945
260 HB3 ALA 32 HB3 ALA 32 11.390 4.749 -5.273
261 H ALA 33 HN ALA 33 13.549 3.416 -2.316
262 HA ALA 33 HA ALA 33 16.329 3.905 -2.691
263 HB1 ALA 33 HB1 ALA 33 15.134 4.748 -0.749
264 HB2 ALA 33 HB2 ALA 33 16.468 3.704 -0.257
265 HB3 ALA 33 HB3 ALA 33 14.811 3.099 -0.219
266 H TYR 34 HN TYR 34 14.362 1.072 -2.110
267 HA TYR 34 HA TYR 34 16.488 -0.700 -1.450
268 HB2 TYR 34 HB2 TYR 34 14.127 -1.154 -0.864
269 HB3 TYR 34 HB1 TYR 34 13.745 -1.321 -2.576
270 HD1 TYR 34 HD1 TYR 34 13.976 -3.389 -3.649
271 HD2 TYR 34 HD2 TYR 34 15.811 -2.784 0.137
272 HE1 TYR 34 HE1 TYR 34 14.537 -5.781 -3.546
273 HE2 TYR 34 HE2 TYR 34 16.377 -5.177 0.251
274 HH TYR 34 HH TYR 34 15.676 -7.284 -0.683
275 HN1 NH2 35 HN1 NH2 35 14.766 0.029 -4.439
276 HN2 NH2 35 HN2 NH2 35 15.898 -0.737 -5.499
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 15.700 -2.207 1.787
2 H2 ACE 0 HA2 ACE 0 16.005 -0.956 2.987
3 H3 ACE 0 HA3 ACE 0 14.385 -1.119 2.319
4 HA PRO 1 HA PRO 1 13.758 -3.980 1.501
5 HB2 PRO 1 HB2 PRO 1 12.894 -6.389 2.608
6 HB3 PRO 1 HB1 PRO 1 14.294 -6.210 1.536
7 HG2 PRO 1 HG2 PRO 1 14.197 -6.425 4.493
8 HG3 PRO 1 HG1 PRO 1 15.382 -7.078 3.343
9 HD2 PRO 1 HD2 PRO 1 15.925 -4.899 4.823
10 HD3 PRO 1 HD1 PRO 1 16.518 -5.065 3.157
11 HA PRO 2 HA PRO 2 10.220 -2.554 3.908
12 HB2 PRO 2 HB2 PRO 2 9.015 -1.229 1.869
13 HB3 PRO 2 HB1 PRO 2 10.390 -0.557 2.767
14 HG2 PRO 2 HG2 PRO 2 10.288 -1.679 0.050
15 HG3 PRO 2 HG1 PRO 2 11.384 -0.473 0.744
16 HD2 PRO 2 HD2 PRO 2 11.934 -3.211 0.311
17 HD3 PRO 2 HD1 PRO 2 12.936 -2.048 1.202
18 H LYS 3 HN LYS 3 8.157 -3.316 4.124
19 HA LYS 3 HA LYS 3 7.501 -5.603 2.455
20 HB2 LYS 3 HB2 LYS 3 7.370 -5.861 4.882
21 HB3 LYS 3 HB1 LYS 3 6.205 -4.548 4.974
22 HG2 LYS 3 HG2 LYS 3 4.643 -5.885 3.612
23 HG3 LYS 3 HG1 LYS 3 5.803 -7.214 3.644
24 HD2 LYS 3 HD2 LYS 3 5.641 -7.336 6.058
25 HD3 LYS 3 HD1 LYS 3 4.556 -5.944 6.078
26 HE2 LYS 3 HE2 LYS 3 4.008 -8.604 4.774
27 HE3 LYS 3 HE1 LYS 3 3.320 -8.035 6.294
28 HZ1 LYS 3 HZ1 LYS 3 1.793 -7.740 4.442
29 HZ2 LYS 3 HZ2 LYS 3 2.915 -6.758 3.644
30 HZ3 LYS 3 HZ3 LYS 3 2.233 -6.248 5.104
31 H LYS 4 HN LYS 4 5.809 -5.750 1.111
32 HA LYS 4 HA LYS 4 4.452 -3.336 0.328
33 HB2 LYS 4 HB2 LYS 4 5.103 -4.899 -1.406
34 HB3 LYS 4 HB1 LYS 4 4.230 -6.208 -0.611
35 HG2 LYS 4 HG2 LYS 4 2.111 -4.974 -1.033
36 HG3 LYS 4 HG1 LYS 4 3.038 -3.791 -1.960
37 HD2 LYS 4 HD2 LYS 4 3.643 -5.397 -3.586
38 HD3 LYS 4 HD1 LYS 4 3.098 -6.734 -2.575
39 HE2 LYS 4 HE2 LYS 4 1.498 -6.336 -4.354
40 HE3 LYS 4 HE1 LYS 4 0.781 -5.936 -2.795
41 HZ1 LYS 4 HZ1 LYS 4 0.286 -4.290 -4.518
42 HZ2 LYS 4 HZ2 LYS 4 1.933 -3.958 -4.682
43 HZ3 LYS 4 HZ3 LYS 4 1.143 -3.614 -3.230
44 HA PRO 5 HA PRO 5 0.975 -4.094 3.065
45 HB2 PRO 5 HB2 PRO 5 -0.416 -1.975 1.635
46 HB3 PRO 5 HB1 PRO 5 0.192 -1.975 3.299
47 HG2 PRO 5 HG2 PRO 5 1.236 -0.444 1.322
48 HG3 PRO 5 HG1 PRO 5 2.159 -1.012 2.727
49 HD2 PRO 5 HD2 PRO 5 2.155 -2.040 -0.071
50 HD3 PRO 5 HD1 PRO 5 3.500 -1.896 1.084
51 H LYS 6 HN LYS 6 -1.094 -4.961 2.867
52 HA LYS 6 HA LYS 6 -1.514 -6.392 0.413
53 HB2 LYS 6 HB2 LYS 6 -3.137 -6.291 2.959
54 HB3 LYS 6 HB1 LYS 6 -3.406 -7.419 1.636
55 HG2 LYS 6 HG2 LYS 6 -1.234 -8.411 1.998
56 HG3 LYS 6 HG1 LYS 6 -0.878 -7.230 3.258
57 HD2 LYS 6 HD2 LYS 6 -2.748 -8.088 4.583
58 HD3 LYS 6 HD1 LYS 6 -3.092 -9.278 3.325
59 HE2 LYS 6 HE2 LYS 6 -0.860 -10.245 3.650
60 HE3 LYS 6 HE1 LYS 6 -0.544 -9.068 4.923
61 HZ1 LYS 6 HZ1 LYS 6 -2.328 -10.004 6.217
62 HZ2 LYS 6 HZ2 LYS 6 -1.237 -11.224 5.797
63 HZ3 LYS 6 HZ3 LYS 6 -2.710 -11.094 4.983
64 H LYS 7 HN LYS 7 -2.858 -5.907 -1.181
65 HA LYS 7 HA LYS 7 -4.331 -3.469 -1.220
66 HB2 LYS 7 HB2 LYS 7 -3.369 -4.574 -3.265
67 HB3 LYS 7 HB1 LYS 7 -4.572 -5.843 -3.089
68 HG2 LYS 7 HG2 LYS 7 -6.337 -4.051 -3.280
69 HG3 LYS 7 HG1 LYS 7 -5.033 -2.943 -3.736
70 HD2 LYS 7 HD2 LYS 7 -6.054 -3.780 -5.743
71 HD3 LYS 7 HD1 LYS 7 -4.448 -4.494 -5.597
72 HE2 LYS 7 HE2 LYS 7 -6.086 -6.158 -6.307
73 HE3 LYS 7 HE1 LYS 7 -5.439 -6.555 -4.718
74 HZ1 LYS 7 HZ1 LYS 7 -7.452 -5.598 -3.726
75 HZ2 LYS 7 HZ2 LYS 7 -7.815 -6.877 -4.772
76 HZ3 LYS 7 HZ3 LYS 7 -8.067 -5.282 -5.270
77 HA PRO 8 HA PRO 8 -7.980 -4.934 0.965
78 HB2 PRO 8 HB2 PRO 8 -9.183 -2.679 -0.573
79 HB3 PRO 8 HB1 PRO 8 -9.262 -3.032 1.162
80 HG2 PRO 8 HG2 PRO 8 -7.730 -1.081 0.245
81 HG3 PRO 8 HG1 PRO 8 -7.215 -2.112 1.595
82 HD2 PRO 8 HD2 PRO 8 -6.311 -2.130 -1.239
83 HD3 PRO 8 HD1 PRO 8 -5.398 -2.472 0.248
84 H GLY 9 HN GLY 9 -10.015 -5.843 0.417
85 HA2 GLY 9 HA2 GLY 9 -9.946 -7.183 -2.123
86 HA3 GLY 9 HA1 GLY 9 -11.136 -7.417 -0.852
87 H ASP 10 HN ASP 10 -12.441 -7.531 -2.945
88 HA ASP 10 HA ASP 10 -12.977 -5.040 -4.285
89 HB2 ASP 10 HB2 ASP 10 -14.312 -7.747 -4.458
90 HB3 ASP 10 HB1 ASP 10 -14.744 -6.369 -5.460
91 H ASN 11 HN ASN 11 -13.945 -6.376 -1.406
92 HA ASN 11 HA ASN 11 -16.623 -5.197 -1.436
93 HB2 ASN 11 HB2 ASN 11 -16.971 -6.376 0.671
94 HB3 ASN 11 HB1 ASN 11 -16.337 -7.488 -0.536
95 HD21 ASN 11 HD21 ASN 11 -15.711 -5.854 2.462
96 HD22 ASN 11 HD22 ASN 11 -14.242 -6.686 2.837
97 H ALA 12 HN ALA 12 -13.837 -3.827 -1.176
98 HA ALA 12 HA ALA 12 -14.257 -2.473 1.387
99 HB1 ALA 12 HB1 ALA 12 -11.953 -1.682 1.154
100 HB2 ALA 12 HB2 ALA 12 -11.828 -2.517 -0.396
101 HB3 ALA 12 HB3 ALA 12 -12.056 -3.440 1.089
102 H THR 13 HN THR 13 -14.171 -0.215 1.532
103 HA THR 13 HA THR 13 -15.512 1.130 -0.601
104 HB THR 13 HB THR 13 -15.228 3.122 0.979
105 HG1 THR 13 HG1 THR 13 -14.781 1.474 3.115
106 HG21 THR 13 HG21 THR 13 -16.949 2.279 2.513
107 HG22 THR 13 HG22 THR 13 -16.625 0.635 1.962
108 HG23 THR 13 HG23 THR 13 -17.284 1.828 0.843
109 HA PRO 14 HA PRO 14 -12.169 3.118 -2.795
110 HB2 PRO 14 HB2 PRO 14 -13.658 5.659 -2.258
111 HB3 PRO 14 HB1 PRO 14 -13.037 5.022 -3.795
112 HG2 PRO 14 HG2 PRO 14 -15.604 4.900 -3.286
113 HG3 PRO 14 HG1 PRO 14 -14.769 3.521 -4.037
114 HD2 PRO 14 HD2 PRO 14 -15.686 3.845 -1.206
115 HD3 PRO 14 HD1 PRO 14 -15.706 2.402 -2.237
116 H GLU 15 HN GLU 15 -13.349 4.612 0.180
117 HA GLU 15 HA GLU 15 -11.100 6.194 0.754
118 HB2 GLU 15 HB2 GLU 15 -13.295 6.426 1.885
119 HB3 GLU 15 HB1 GLU 15 -13.019 4.892 2.695
120 HG2 GLU 15 HG2 GLU 15 -10.994 5.892 3.739
121 HG3 GLU 15 HG1 GLU 15 -11.470 7.436 3.046
122 H LYS 16 HN LYS 16 -11.774 2.800 1.252
123 HA LYS 16 HA LYS 16 -9.590 2.364 3.053
124 HB2 LYS 16 HB2 LYS 16 -11.717 0.984 2.926
125 HB3 LYS 16 HB1 LYS 16 -11.075 0.281 1.446
126 HG2 LYS 16 HG2 LYS 16 -10.626 -1.216 3.252
127 HG3 LYS 16 HG1 LYS 16 -9.095 -0.488 2.757
128 HD2 LYS 16 HD2 LYS 16 -9.174 1.051 4.613
129 HD3 LYS 16 HD1 LYS 16 -10.781 0.483 5.063
130 HE2 LYS 16 HE2 LYS 16 -9.149 -0.494 6.538
131 HE3 LYS 16 HE1 LYS 16 -9.823 -1.752 5.508
132 HZ1 LYS 16 HZ1 LYS 16 -7.225 -0.392 5.048
133 HZ2 LYS 16 HZ2 LYS 16 -7.860 -1.675 4.145
134 HZ3 LYS 16 HZ3 LYS 16 -7.411 -1.915 5.756
135 H LEU 17 HN LEU 17 -10.171 2.043 -0.399
136 HA LEU 17 HA LEU 17 -7.667 0.889 -1.049
137 HB2 LEU 17 HB2 LEU 17 -9.746 2.372 -2.595
138 HB3 LEU 17 HB1 LEU 17 -8.164 2.139 -3.316
139 HG LEU 17 HG LEU 17 -9.637 0.427 -4.120
140 HD11 LEU 17 HD11 LEU 17 -7.783 -0.743 -2.058
141 HD12 LEU 17 HD12 LEU 17 -7.330 -0.235 -3.683
142 HD13 LEU 17 HD13 LEU 17 -8.446 -1.579 -3.460
143 HD21 LEU 17 HD21 LEU 17 -10.777 -1.144 -2.679
144 HD22 LEU 17 HD22 LEU 17 -11.283 0.503 -2.304
145 HD23 LEU 17 HD23 LEU 17 -10.141 -0.332 -1.250
146 H ALA 18 HN ALA 18 -8.791 4.209 -0.715
147 HA ALA 18 HA ALA 18 -6.478 5.521 -1.567
148 HB1 ALA 18 HB1 ALA 18 -8.614 6.645 -1.162
149 HB2 ALA 18 HB2 ALA 18 -7.292 7.423 -0.291
150 HB3 ALA 18 HB3 ALA 18 -8.419 6.374 0.569
151 H ALA 19 HN ALA 19 -7.376 4.146 1.539
152 HA ALA 19 HA ALA 19 -5.173 4.984 3.042
153 HB1 ALA 19 HB1 ALA 19 -7.175 3.964 4.013
154 HB2 ALA 19 HB2 ALA 19 -5.702 3.146 4.536
155 HB3 ALA 19 HB3 ALA 19 -6.723 2.417 3.296
156 H TYR 20 HN TYR 20 -5.667 2.110 1.033
157 HA TYR 20 HA TYR 20 -3.150 0.938 1.470
158 HB2 TYR 20 HB2 TYR 20 -4.791 -0.432 0.446
159 HB3 TYR 20 HB1 TYR 20 -5.108 0.754 -0.812
160 HD1 TYR 20 HD1 TYR 20 -4.155 0.457 -2.894
161 HD2 TYR 20 HD2 TYR 20 -2.332 -1.390 0.473
162 HE1 TYR 20 HE1 TYR 20 -2.548 -0.658 -4.387
163 HE2 TYR 20 HE2 TYR 20 -0.719 -2.515 -1.012
164 HH TYR 20 HH TYR 20 -0.385 -1.669 -4.334
165 H GLU 21 HN GLU 21 -4.283 3.184 -1.032
166 HA GLU 21 HA GLU 21 -1.877 3.341 -2.462
167 HB2 GLU 21 HB2 GLU 21 -4.006 5.455 -2.107
168 HB3 GLU 21 HB1 GLU 21 -2.729 5.511 -3.309
169 HG2 GLU 21 HG2 GLU 21 -3.631 3.446 -4.321
170 HG3 GLU 21 HG1 GLU 21 -4.946 3.476 -3.142
171 H LYS 22 HN LYS 22 -2.955 4.937 0.447
172 HA LYS 22 HA LYS 22 -0.958 6.927 0.575
173 HB2 LYS 22 HB2 LYS 22 -3.021 6.995 1.907
174 HB3 LYS 22 HB1 LYS 22 -2.489 5.582 2.807
175 HG2 LYS 22 HG2 LYS 22 -0.538 6.908 3.611
176 HG3 LYS 22 HG1 LYS 22 -1.241 8.324 2.825
177 HD2 LYS 22 HD2 LYS 22 -3.286 8.012 4.196
178 HD3 LYS 22 HD1 LYS 22 -2.486 6.682 5.034
179 HE2 LYS 22 HE2 LYS 22 -2.341 8.710 6.348
180 HE3 LYS 22 HE1 LYS 22 -0.738 8.234 5.791
181 HZ1 LYS 22 HZ1 LYS 22 -2.435 10.324 4.536
182 HZ2 LYS 22 HZ2 LYS 22 -0.872 9.894 4.057
183 HZ3 LYS 22 HZ3 LYS 22 -1.123 10.618 5.562
184 H GLU 23 HN GLU 23 -1.157 3.627 1.840
185 HA GLU 23 HA GLU 23 1.473 3.742 2.986
186 HB2 GLU 23 HB2 GLU 23 -0.360 1.398 2.455
187 HB3 GLU 23 HB1 GLU 23 1.174 1.286 3.313
188 HG2 GLU 23 HG2 GLU 23 0.237 2.975 4.943
189 HG3 GLU 23 HG1 GLU 23 -1.328 2.720 4.159
190 H LEU 24 HN LEU 24 0.055 2.766 -0.025
191 HA LEU 24 HA LEU 24 2.229 1.352 -1.119
192 HB2 LEU 24 HB2 LEU 24 -0.070 1.426 -2.079
193 HB3 LEU 24 HB1 LEU 24 0.220 3.084 -2.570
194 HG LEU 24 HG LEU 24 2.074 2.304 -4.019
195 HD11 LEU 24 HD11 LEU 24 2.293 -0.065 -4.515
196 HD12 LEU 24 HD12 LEU 24 1.077 -0.445 -3.296
197 HD13 LEU 24 HD13 LEU 24 2.622 0.254 -2.812
198 HD21 LEU 24 HD21 LEU 24 -0.588 0.997 -4.552
199 HD22 LEU 24 HD22 LEU 24 0.656 1.359 -5.749
200 HD23 LEU 24 HD23 LEU 24 -0.170 2.672 -4.911
201 H ALA 25 HN ALA 25 1.396 4.774 -1.058
202 HA ALA 25 HA ALA 25 3.505 5.761 -2.594
203 HB1 ALA 25 HB1 ALA 25 1.579 7.095 -1.870
204 HB2 ALA 25 HB2 ALA 25 3.108 7.876 -1.464
205 HB3 ALA 25 HB3 ALA 25 2.180 7.047 -0.213
206 H ALA 26 HN ALA 26 3.300 5.001 0.850
207 HA ALA 26 HA ALA 26 5.908 5.867 1.525
208 HB1 ALA 26 HB1 ALA 26 5.598 4.597 3.580
209 HB2 ALA 26 HB2 ALA 26 4.185 3.804 2.884
210 HB3 ALA 26 HB3 ALA 26 4.157 5.538 3.198
211 H TYR 27 HN TYR 27 4.545 2.775 0.535
212 HA TYR 27 HA TYR 27 6.885 1.251 0.818
213 HB2 TYR 27 HB2 TYR 27 4.789 0.112 0.592
214 HB3 TYR 27 HB1 TYR 27 4.478 0.881 -0.965
215 HD1 TYR 27 HD1 TYR 27 5.229 -0.100 -2.955
216 HD2 TYR 27 HD2 TYR 27 6.709 -1.515 0.765
217 HE1 TYR 27 HE1 TYR 27 6.324 -1.973 -4.116
218 HE2 TYR 27 HE2 TYR 27 7.816 -3.394 -0.379
219 HH TYR 27 HH TYR 27 7.616 -4.662 -2.472
220 H GLU 28 HN GLU 28 5.522 2.921 -2.023
221 HA GLU 28 HA GLU 28 7.580 2.165 -3.787
222 HB2 GLU 28 HB2 GLU 28 5.728 4.554 -3.871
223 HB3 GLU 28 HB1 GLU 28 6.812 4.103 -5.180
224 HG2 GLU 28 HG2 GLU 28 5.657 1.889 -5.277
225 HG3 GLU 28 HG1 GLU 28 4.482 2.511 -4.114
226 H LYS 29 HN LYS 29 7.341 4.750 -1.455
227 HA LYS 29 HA LYS 29 9.591 6.241 -2.283
228 HB2 LYS 29 HB2 LYS 29 8.000 7.158 -0.685
229 HB3 LYS 29 HB1 LYS 29 8.382 5.885 0.468
230 HG2 LYS 29 HG2 LYS 29 10.647 6.741 0.691
231 HG3 LYS 29 HG1 LYS 29 10.305 8.000 -0.494
232 HD2 LYS 29 HD2 LYS 29 8.890 7.675 2.158
233 HD3 LYS 29 HD1 LYS 29 10.198 8.815 1.837
234 HE2 LYS 29 HE2 LYS 29 7.527 8.768 0.433
235 HE3 LYS 29 HE1 LYS 29 7.987 9.881 1.718
236 HZ1 LYS 29 HZ1 LYS 29 9.729 10.754 0.298
237 HZ2 LYS 29 HZ2 LYS 29 8.230 10.885 -0.468
238 HZ3 LYS 29 HZ3 LYS 29 9.311 9.673 -0.932
239 H GLU 30 HN GLU 30 9.227 3.673 0.147
240 HA GLU 30 HA GLU 30 11.990 3.493 0.737
241 HB2 GLU 30 HB2 GLU 30 9.813 1.437 1.124
242 HB3 GLU 30 HB1 GLU 30 11.413 1.378 1.845
243 HG2 GLU 30 HG2 GLU 30 9.276 3.424 2.355
244 HG3 GLU 30 HG1 GLU 30 9.845 2.176 3.464
245 H LEU 31 HN LEU 31 9.937 2.022 -1.644
246 HA LEU 31 HA LEU 31 11.609 -0.055 -2.527
247 HB2 LEU 31 HB2 LEU 31 9.224 0.207 -3.140
248 HB3 LEU 31 HB1 LEU 31 9.642 1.607 -4.110
249 HG LEU 31 HG LEU 31 11.042 0.131 -5.547
250 HD11 LEU 31 HD11 LEU 31 9.753 -2.058 -3.929
251 HD12 LEU 31 HD12 LEU 31 11.464 -1.626 -3.912
252 HD13 LEU 31 HD13 LEU 31 10.733 -2.280 -5.378
253 HD21 LEU 31 HD21 LEU 31 9.139 -0.921 -6.683
254 HD22 LEU 31 HD22 LEU 31 8.782 0.737 -6.201
255 HD23 LEU 31 HD23 LEU 31 8.133 -0.611 -5.269
256 H ALA 32 HN ALA 32 11.398 3.342 -3.421
257 HA ALA 32 HA ALA 32 13.236 3.328 -5.532
258 HB1 ALA 32 HB1 ALA 32 13.361 5.725 -5.208
259 HB2 ALA 32 HB2 ALA 32 12.625 5.566 -3.614
260 HB3 ALA 32 HB3 ALA 32 11.693 5.173 -5.057
261 H ALA 33 HN ALA 33 13.663 3.509 -2.059
262 HA ALA 33 HA ALA 33 16.469 4.125 -2.220
263 HB1 ALA 33 HB1 ALA 33 16.434 3.891 0.210
264 HB2 ALA 33 HB2 ALA 33 14.787 3.268 0.124
265 HB3 ALA 33 HB3 ALA 33 15.126 4.929 -0.356
266 H TYR 34 HN TYR 34 14.587 1.316 -2.441
267 HA TYR 34 HA TYR 34 16.694 -0.453 -1.496
268 HB2 TYR 34 HB2 TYR 34 14.270 -0.899 -1.004
269 HB3 TYR 34 HB1 TYR 34 14.020 -1.165 -2.725
270 HD1 TYR 34 HD1 TYR 34 13.936 -3.365 -3.387
271 HD2 TYR 34 HD2 TYR 34 16.383 -2.322 -0.072
272 HE1 TYR 34 HE1 TYR 34 14.548 -5.731 -3.102
273 HE2 TYR 34 HE2 TYR 34 17.006 -4.683 0.221
274 HH TYR 34 HH TYR 34 16.344 -7.063 -2.117
275 HN1 NH2 35 HN1 NH2 35 15.210 0.626 -4.457
276 HN2 NH2 35 HN2 NH2 35 16.285 -0.189 -5.537
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 15.901 -0.669 2.652
2 H2 ACE 0 HA2 ACE 0 14.224 -0.933 2.187
3 H3 ACE 0 HA3 ACE 0 15.446 -2.087 1.661
4 HA PRO 1 HA PRO 1 13.906 -4.083 1.765
5 HB2 PRO 1 HB2 PRO 1 13.397 -6.004 3.997
6 HB3 PRO 1 HB1 PRO 1 13.815 -6.338 2.308
7 HG2 PRO 1 HG2 PRO 1 15.599 -6.636 4.237
8 HG3 PRO 1 HG1 PRO 1 16.056 -5.997 2.645
9 HD2 PRO 1 HD2 PRO 1 15.735 -4.552 5.231
10 HD3 PRO 1 HD1 PRO 1 16.847 -4.227 3.888
11 HA PRO 2 HA PRO 2 10.210 -2.317 3.677
12 HB2 PRO 2 HB2 PRO 2 9.073 -1.476 1.382
13 HB3 PRO 2 HB1 PRO 2 10.453 -0.625 2.105
14 HG2 PRO 2 HG2 PRO 2 10.363 -2.422 -0.242
15 HG3 PRO 2 HG1 PRO 2 11.399 -1.019 0.077
16 HD2 PRO 2 HD2 PRO 2 12.114 -3.718 0.392
17 HD3 PRO 2 HD1 PRO 2 13.013 -2.312 0.998
18 H LYS 3 HN LYS 3 8.016 -2.935 3.766
19 HA LYS 3 HA LYS 3 7.453 -5.488 2.418
20 HB2 LYS 3 HB2 LYS 3 5.820 -5.911 4.226
21 HB3 LYS 3 HB1 LYS 3 7.446 -5.682 4.843
22 HG2 LYS 3 HG2 LYS 3 6.899 -3.414 5.514
23 HG3 LYS 3 HG1 LYS 3 5.281 -3.592 4.836
24 HD2 LYS 3 HD2 LYS 3 4.954 -3.977 7.108
25 HD3 LYS 3 HD1 LYS 3 5.065 -5.602 6.436
26 HE2 LYS 3 HE2 LYS 3 7.374 -4.127 7.696
27 HE3 LYS 3 HE1 LYS 3 6.335 -5.254 8.562
28 HZ1 LYS 3 HZ1 LYS 3 8.267 -6.414 7.892
29 HZ2 LYS 3 HZ2 LYS 3 8.160 -5.857 6.306
30 HZ3 LYS 3 HZ3 LYS 3 7.018 -6.959 6.891
31 H LYS 4 HN LYS 4 5.599 -5.737 1.217
32 HA LYS 4 HA LYS 4 4.478 -3.294 0.208
33 HB2 LYS 4 HB2 LYS 4 5.089 -5.347 -1.167
34 HB3 LYS 4 HB1 LYS 4 3.663 -6.126 -0.484
35 HG2 LYS 4 HG2 LYS 4 2.237 -4.427 -1.489
36 HG3 LYS 4 HG1 LYS 4 3.656 -3.606 -2.142
37 HD2 LYS 4 HD2 LYS 4 2.692 -6.382 -2.838
38 HD3 LYS 4 HD1 LYS 4 2.621 -4.949 -3.865
39 HE2 LYS 4 HE2 LYS 4 5.087 -4.842 -3.840
40 HE3 LYS 4 HE1 LYS 4 5.122 -6.320 -2.880
41 HZ1 LYS 4 HZ1 LYS 4 4.049 -6.048 -5.632
42 HZ2 LYS 4 HZ2 LYS 4 3.998 -7.461 -4.706
43 HZ3 LYS 4 HZ3 LYS 4 5.484 -6.823 -5.185
44 HA PRO 5 HA PRO 5 0.948 -3.339 2.911
45 HB2 PRO 5 HB2 PRO 5 -0.490 -1.614 1.088
46 HB3 PRO 5 HB1 PRO 5 0.259 -1.200 2.639
47 HG2 PRO 5 HG2 PRO 5 1.142 -0.302 0.227
48 HG3 PRO 5 HG1 PRO 5 2.153 -0.451 1.676
49 HD2 PRO 5 HD2 PRO 5 1.995 -2.228 -0.706
50 HD3 PRO 5 HD1 PRO 5 3.396 -1.791 0.296
51 H LYS 6 HN LYS 6 -1.277 -3.948 2.956
52 HA LYS 6 HA LYS 6 -1.859 -6.022 1.045
53 HB2 LYS 6 HB2 LYS 6 -3.396 -5.021 3.447
54 HB3 LYS 6 HB1 LYS 6 -3.807 -6.457 2.516
55 HG2 LYS 6 HG2 LYS 6 -1.774 -7.538 3.175
56 HG3 LYS 6 HG1 LYS 6 -1.192 -6.068 3.954
57 HD2 LYS 6 HD2 LYS 6 -3.077 -6.190 5.535
58 HD3 LYS 6 HD1 LYS 6 -3.592 -7.697 4.775
59 HE2 LYS 6 HE2 LYS 6 -0.947 -7.226 6.147
60 HE3 LYS 6 HE1 LYS 6 -2.315 -8.108 6.822
61 HZ1 LYS 6 HZ1 LYS 6 -0.734 -9.650 5.939
62 HZ2 LYS 6 HZ2 LYS 6 -0.718 -8.873 4.440
63 HZ3 LYS 6 HZ3 LYS 6 -2.110 -9.682 4.956
64 H LYS 7 HN LYS 7 -3.013 -5.763 -0.726
65 HA LYS 7 HA LYS 7 -4.355 -3.249 -1.230
66 HB2 LYS 7 HB2 LYS 7 -2.956 -4.273 -2.990
67 HB3 LYS 7 HB1 LYS 7 -4.002 -5.685 -2.993
68 HG2 LYS 7 HG2 LYS 7 -5.876 -4.304 -3.753
69 HG3 LYS 7 HG1 LYS 7 -4.818 -2.886 -3.762
70 HD2 LYS 7 HD2 LYS 7 -5.052 -3.794 -6.011
71 HD3 LYS 7 HD1 LYS 7 -3.390 -3.961 -5.441
72 HE2 LYS 7 HE2 LYS 7 -4.159 -5.981 -6.599
73 HE3 LYS 7 HE1 LYS 7 -3.791 -6.305 -4.905
74 HZ1 LYS 7 HZ1 LYS 7 -5.850 -7.365 -5.609
75 HZ2 LYS 7 HZ2 LYS 7 -6.507 -5.866 -6.022
76 HZ3 LYS 7 HZ3 LYS 7 -6.149 -6.215 -4.407
77 HA PRO 8 HA PRO 8 -8.245 -4.938 0.286
78 HB2 PRO 8 HB2 PRO 8 -9.251 -2.419 -0.911
79 HB3 PRO 8 HB1 PRO 8 -9.431 -3.028 0.743
80 HG2 PRO 8 HG2 PRO 8 -7.819 -0.994 0.190
81 HG3 PRO 8 HG1 PRO 8 -7.421 -2.203 1.426
82 HD2 PRO 8 HD2 PRO 8 -6.332 -1.898 -1.330
83 HD3 PRO 8 HD1 PRO 8 -5.515 -2.401 0.169
84 H GLY 9 HN GLY 9 -9.924 -5.998 -0.698
85 HA2 GLY 9 HA2 GLY 9 -9.747 -6.180 -3.605
86 HA3 GLY 9 HA1 GLY 9 -10.552 -7.325 -2.547
87 H ASP 10 HN ASP 10 -12.473 -7.347 -3.686
88 HA ASP 10 HA ASP 10 -13.797 -4.997 -4.583
89 HB2 ASP 10 HB2 ASP 10 -14.211 -7.098 -5.701
90 HB3 ASP 10 HB1 ASP 10 -14.813 -7.821 -4.213
91 H ASN 11 HN ASN 11 -13.903 -6.817 -1.626
92 HA ASN 11 HA ASN 11 -16.416 -5.651 -0.775
93 HB2 ASN 11 HB2 ASN 11 -14.511 -7.549 0.599
94 HB3 ASN 11 HB1 ASN 11 -16.032 -7.008 1.294
95 HD21 ASN 11 HD21 ASN 11 -17.983 -7.765 0.410
96 HD22 ASN 11 HD22 ASN 11 -18.027 -9.136 -0.642
97 H ALA 12 HN ALA 12 -14.018 -3.941 -1.183
98 HA ALA 12 HA ALA 12 -13.905 -2.783 1.518
99 HB1 ALA 12 HB1 ALA 12 -11.749 -3.759 0.955
100 HB2 ALA 12 HB2 ALA 12 -11.644 -2.001 1.043
101 HB3 ALA 12 HB3 ALA 12 -11.696 -2.803 -0.526
102 H THR 13 HN THR 13 -13.757 -0.489 1.622
103 HA THR 13 HA THR 13 -15.313 0.774 -0.451
104 HB THR 13 HB THR 13 -15.257 2.744 1.064
105 HG1 THR 13 HG1 THR 13 -14.375 2.232 3.232
106 HG21 THR 13 HG21 THR 13 -17.016 1.034 1.249
107 HG22 THR 13 HG22 THR 13 -16.645 1.779 2.803
108 HG23 THR 13 HG23 THR 13 -16.031 0.168 2.429
109 HA PRO 14 HA PRO 14 -12.055 2.902 -2.673
110 HB2 PRO 14 HB2 PRO 14 -13.767 5.320 -2.268
111 HB3 PRO 14 HB1 PRO 14 -13.059 4.681 -3.767
112 HG2 PRO 14 HG2 PRO 14 -15.616 4.359 -3.315
113 HG3 PRO 14 HG1 PRO 14 -14.650 3.019 -3.973
114 HD2 PRO 14 HD2 PRO 14 -15.645 3.417 -1.172
115 HD3 PRO 14 HD1 PRO 14 -15.560 1.929 -2.135
116 H GLU 15 HN GLU 15 -13.410 4.209 0.270
117 HA GLU 15 HA GLU 15 -11.391 6.061 0.903
118 HB2 GLU 15 HB2 GLU 15 -13.607 6.000 1.998
119 HB3 GLU 15 HB1 GLU 15 -13.176 4.480 2.763
120 HG2 GLU 15 HG2 GLU 15 -11.355 5.622 3.952
121 HG3 GLU 15 HG1 GLU 15 -11.866 7.142 3.225
122 H LYS 16 HN LYS 16 -11.713 2.589 1.458
123 HA LYS 16 HA LYS 16 -9.395 2.464 3.133
124 HB2 LYS 16 HB2 LYS 16 -11.301 0.831 3.242
125 HB3 LYS 16 HB1 LYS 16 -10.763 0.184 1.695
126 HG2 LYS 16 HG2 LYS 16 -9.976 -1.181 3.561
127 HG3 LYS 16 HG1 LYS 16 -8.625 -0.447 2.693
128 HD2 LYS 16 HD2 LYS 16 -8.434 1.279 4.396
129 HD3 LYS 16 HD1 LYS 16 -9.830 0.623 5.247
130 HE2 LYS 16 HE2 LYS 16 -7.749 -0.054 6.318
131 HE3 LYS 16 HE1 LYS 16 -8.608 -1.448 5.669
132 HZ1 LYS 16 HZ1 LYS 16 -6.236 -1.555 5.213
133 HZ2 LYS 16 HZ2 LYS 16 -6.300 -0.093 4.373
134 HZ3 LYS 16 HZ3 LYS 16 -7.116 -1.450 3.776
135 H LEU 17 HN LEU 17 -10.090 2.181 -0.266
136 HA LEU 17 HA LEU 17 -7.567 1.200 -1.072
137 HB2 LEU 17 HB2 LEU 17 -9.773 2.660 -2.439
138 HB3 LEU 17 HB1 LEU 17 -8.203 2.613 -3.220
139 HG LEU 17 HG LEU 17 -9.601 0.862 -4.112
140 HD11 LEU 17 HD11 LEU 17 -8.196 -1.090 -3.673
141 HD12 LEU 17 HD12 LEU 17 -7.481 -0.262 -2.293
142 HD13 LEU 17 HD13 LEU 17 -7.237 0.368 -3.922
143 HD21 LEU 17 HD21 LEU 17 -11.138 0.585 -2.250
144 HD22 LEU 17 HD22 LEU 17 -9.856 -0.139 -1.281
145 HD23 LEU 17 HD23 LEU 17 -10.441 -0.964 -2.723
146 H ALA 18 HN ALA 18 -8.789 4.417 -0.372
147 HA ALA 18 HA ALA 18 -6.563 5.897 -1.219
148 HB1 ALA 18 HB1 ALA 18 -7.389 7.649 0.248
149 HB2 ALA 18 HB2 ALA 18 -8.438 6.488 1.063
150 HB3 ALA 18 HB3 ALA 18 -8.722 6.898 -0.629
151 H ALA 19 HN ALA 19 -7.295 4.246 1.798
152 HA ALA 19 HA ALA 19 -4.999 4.977 3.234
153 HB1 ALA 19 HB1 ALA 19 -6.962 3.884 4.240
154 HB2 ALA 19 HB2 ALA 19 -5.456 3.057 4.631
155 HB3 ALA 19 HB3 ALA 19 -6.534 2.392 3.404
156 H TYR 20 HN TYR 20 -5.669 2.232 1.098
157 HA TYR 20 HA TYR 20 -3.188 0.962 1.328
158 HB2 TYR 20 HB2 TYR 20 -4.940 -0.273 0.319
159 HB3 TYR 20 HB1 TYR 20 -5.253 0.991 -0.860
160 HD1 TYR 20 HD1 TYR 20 -4.446 0.728 -2.997
161 HD2 TYR 20 HD2 TYR 20 -2.509 -1.323 0.180
162 HE1 TYR 20 HE1 TYR 20 -2.988 -0.397 -4.627
163 HE2 TYR 20 HE2 TYR 20 -1.040 -2.459 -1.443
164 HH TYR 20 HH TYR 20 -0.949 -1.533 -4.792
165 H GLU 21 HN GLU 21 -4.320 3.406 -0.980
166 HA GLU 21 HA GLU 21 -1.965 3.467 -2.512
167 HB2 GLU 21 HB2 GLU 21 -4.047 5.611 -2.064
168 HB3 GLU 21 HB1 GLU 21 -2.769 5.714 -3.264
169 HG2 GLU 21 HG2 GLU 21 -3.662 3.657 -4.329
170 HG3 GLU 21 HG1 GLU 21 -4.992 3.681 -3.168
171 H LYS 22 HN LYS 22 -2.843 5.062 0.484
172 HA LYS 22 HA LYS 22 -0.615 6.829 0.544
173 HB2 LYS 22 HB2 LYS 22 -2.585 7.252 1.914
174 HB3 LYS 22 HB1 LYS 22 -2.329 5.752 2.790
175 HG2 LYS 22 HG2 LYS 22 -1.602 7.610 4.133
176 HG3 LYS 22 HG1 LYS 22 -0.207 6.645 3.655
177 HD2 LYS 22 HD2 LYS 22 0.316 9.002 3.452
178 HD3 LYS 22 HD1 LYS 22 0.273 8.258 1.856
179 HE2 LYS 22 HE2 LYS 22 -1.955 9.154 1.473
180 HE3 LYS 22 HE1 LYS 22 -1.978 9.844 3.094
181 HZ1 LYS 22 HZ1 LYS 22 -0.089 10.594 0.931
182 HZ2 LYS 22 HZ2 LYS 22 -0.134 11.270 2.479
183 HZ3 LYS 22 HZ3 LYS 22 -1.432 11.496 1.420
184 H GLU 23 HN GLU 23 -1.260 3.621 1.904
185 HA GLU 23 HA GLU 23 1.275 3.283 3.117
186 HB2 GLU 23 HB2 GLU 23 -0.612 1.170 2.045
187 HB3 GLU 23 HB1 GLU 23 0.731 0.877 3.140
188 HG2 GLU 23 HG2 GLU 23 -0.395 2.307 4.822
189 HG3 GLU 23 HG1 GLU 23 -1.773 2.446 3.722
190 H LEU 24 HN LEU 24 -0.005 2.620 -0.062
191 HA LEU 24 HA LEU 24 2.167 1.164 -1.106
192 HB2 LEU 24 HB2 LEU 24 -0.132 1.316 -2.097
193 HB3 LEU 24 HB1 LEU 24 0.254 2.946 -2.618
194 HG LEU 24 HG LEU 24 2.097 2.042 -4.007
195 HD11 LEU 24 HD11 LEU 24 2.232 -0.342 -4.429
196 HD12 LEU 24 HD12 LEU 24 0.946 -0.641 -3.260
197 HD13 LEU 24 HD13 LEU 24 2.498 -0.005 -2.718
198 HD21 LEU 24 HD21 LEU 24 0.677 1.144 -5.751
199 HD22 LEU 24 HD22 LEU 24 -0.132 2.486 -4.940
200 HD23 LEU 24 HD23 LEU 24 -0.601 0.823 -4.580
201 H ALA 25 HN ALA 25 1.411 4.601 -1.022
202 HA ALA 25 HA ALA 25 3.526 5.506 -2.617
203 HB1 ALA 25 HB1 ALA 25 1.602 6.883 -1.988
204 HB2 ALA 25 HB2 ALA 25 3.129 7.676 -1.598
205 HB3 ALA 25 HB3 ALA 25 2.179 6.911 -0.322
206 H ALA 26 HN ALA 26 3.299 4.908 0.855
207 HA ALA 26 HA ALA 26 5.909 5.757 1.513
208 HB1 ALA 26 HB1 ALA 26 4.178 3.708 2.889
209 HB2 ALA 26 HB2 ALA 26 4.162 5.443 3.193
210 HB3 ALA 26 HB3 ALA 26 5.598 4.494 3.579
211 H TYR 27 HN TYR 27 4.541 2.652 0.594
212 HA TYR 27 HA TYR 27 6.862 1.103 0.897
213 HB2 TYR 27 HB2 TYR 27 4.808 -0.054 0.726
214 HB3 TYR 27 HB1 TYR 27 4.378 0.769 -0.772
215 HD1 TYR 27 HD1 TYR 27 6.730 -1.701 0.678
216 HD2 TYR 27 HD2 TYR 27 4.934 -0.159 -2.845
217 HE1 TYR 27 HE1 TYR 27 7.682 -3.571 -0.614
218 HE2 TYR 27 HE2 TYR 27 5.866 -2.023 -4.152
219 HH TYR 27 HH TYR 27 7.668 -3.639 -4.042
220 H GLU 28 HN GLU 28 5.502 2.728 -1.969
221 HA GLU 28 HA GLU 28 7.492 1.872 -3.759
222 HB2 GLU 28 HB2 GLU 28 5.742 4.336 -3.818
223 HB3 GLU 28 HB1 GLU 28 6.811 3.874 -5.132
224 HG2 GLU 28 HG2 GLU 28 5.575 1.731 -5.320
225 HG3 GLU 28 HG1 GLU 28 4.437 2.323 -4.102
226 H LYS 29 HN LYS 29 7.369 4.558 -1.509
227 HA LYS 29 HA LYS 29 9.636 5.921 -2.514
228 HB2 LYS 29 HB2 LYS 29 7.936 6.935 -0.983
229 HB3 LYS 29 HB1 LYS 29 8.597 5.958 0.323
230 HG2 LYS 29 HG2 LYS 29 10.714 7.067 0.166
231 HG3 LYS 29 HG1 LYS 29 10.200 7.947 -1.273
232 HD2 LYS 29 HD2 LYS 29 8.437 9.048 0.091
233 HD3 LYS 29 HD1 LYS 29 9.087 8.237 1.520
234 HE2 LYS 29 HE2 LYS 29 11.213 9.357 1.225
235 HE3 LYS 29 HE1 LYS 29 10.644 10.101 -0.268
236 HZ1 LYS 29 HZ1 LYS 29 10.503 11.668 1.521
237 HZ2 LYS 29 HZ2 LYS 29 9.597 10.596 2.462
238 HZ3 LYS 29 HZ3 LYS 29 8.932 11.247 1.051
239 H GLU 30 HN GLU 30 9.213 3.623 0.166
240 HA GLU 30 HA GLU 30 11.955 3.439 0.818
241 HB2 GLU 30 HB2 GLU 30 9.785 1.360 1.184
242 HB3 GLU 30 HB1 GLU 30 11.346 1.363 1.982
243 HG2 GLU 30 HG2 GLU 30 10.769 3.426 3.136
244 HG3 GLU 30 HG1 GLU 30 9.207 3.449 2.315
245 H LEU 31 HN LEU 31 9.921 1.809 -1.498
246 HA LEU 31 HA LEU 31 11.701 -0.227 -2.291
247 HB2 LEU 31 HB2 LEU 31 9.242 -0.069 -2.836
248 HB3 LEU 31 HB1 LEU 31 9.647 1.159 -4.019
249 HG LEU 31 HG LEU 31 11.082 -0.527 -5.177
250 HD11 LEU 31 HD11 LEU 31 11.448 -2.012 -3.281
251 HD12 LEU 31 HD12 LEU 31 10.741 -2.879 -4.645
252 HD13 LEU 31 HD13 LEU 31 9.734 -2.427 -3.269
253 HD21 LEU 31 HD21 LEU 31 8.157 -1.175 -4.852
254 HD22 LEU 31 HD22 LEU 31 9.184 -1.712 -6.180
255 HD23 LEU 31 HD23 LEU 31 8.848 0.005 -5.965
256 H ALA 32 HN ALA 32 11.257 3.093 -3.379
257 HA ALA 32 HA ALA 32 13.060 3.038 -5.532
258 HB1 ALA 32 HB1 ALA 32 13.058 5.463 -5.360
259 HB2 ALA 32 HB2 ALA 32 12.304 5.356 -3.768
260 HB3 ALA 32 HB3 ALA 32 11.424 4.818 -5.198
261 H ALA 33 HN ALA 33 13.520 3.284 -2.105
262 HA ALA 33 HA ALA 33 16.296 4.078 -2.344
263 HB1 ALA 33 HB1 ALA 33 14.702 3.308 0.090
264 HB2 ALA 33 HB2 ALA 33 14.892 4.946 -0.528
265 HB3 ALA 33 HB3 ALA 33 16.294 4.067 0.078
266 H TYR 34 HN TYR 34 14.613 1.242 -2.649
267 HA TYR 34 HA TYR 34 16.771 -0.416 -1.569
268 HB2 TYR 34 HB2 TYR 34 14.419 -0.965 -0.943
269 HB3 TYR 34 HB1 TYR 34 14.066 -1.254 -2.643
270 HD1 TYR 34 HD1 TYR 34 16.461 -2.340 -0.006
271 HD2 TYR 34 HD2 TYR 34 14.195 -3.424 -3.432
272 HE1 TYR 34 HE1 TYR 34 17.197 -4.672 0.255
273 HE2 TYR 34 HE2 TYR 34 14.924 -5.761 -3.186
274 HH TYR 34 HH TYR 34 16.528 -6.902 -0.380
275 HN1 NH2 35 HN1 NH2 35 15.224 0.566 -4.510
276 HN2 NH2 35 HN2 NH2 35 16.259 -0.289 -5.597
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 15.597 -1.824 3.545
2 H2 ACE 0 HA2 ACE 0 14.182 -2.115 2.537
3 H3 ACE 0 HA3 ACE 0 15.660 -3.021 2.219
4 HA PRO 1 HA PRO 1 13.400 -4.608 1.502
5 HB2 PRO 1 HB2 PRO 1 11.963 -6.814 2.520
6 HB3 PRO 1 HB1 PRO 1 13.337 -6.889 1.402
7 HG2 PRO 1 HG2 PRO 1 13.267 -7.286 4.333
8 HG3 PRO 1 HG1 PRO 1 14.296 -8.046 3.104
9 HD2 PRO 1 HD2 PRO 1 15.264 -6.148 4.736
10 HD3 PRO 1 HD1 PRO 1 15.777 -6.256 3.037
11 HA PRO 2 HA PRO 2 10.102 -2.418 3.613
12 HB2 PRO 2 HB2 PRO 2 9.043 -1.624 1.078
13 HB3 PRO 2 HB1 PRO 2 9.981 -0.650 2.214
14 HG2 PRO 2 HG2 PRO 2 10.812 -1.511 -0.289
15 HG3 PRO 2 HG1 PRO 2 11.828 -0.825 0.988
16 HD2 PRO 2 HD2 PRO 2 11.552 -3.631 0.126
17 HD3 PRO 2 HD1 PRO 2 12.891 -2.823 0.966
18 H LYS 3 HN LYS 3 7.997 -2.868 4.032
19 HA LYS 3 HA LYS 3 7.025 -5.380 2.931
20 HB2 LYS 3 HB2 LYS 3 5.947 -3.682 5.190
21 HB3 LYS 3 HB1 LYS 3 5.391 -5.295 4.767
22 HG2 LYS 3 HG2 LYS 3 7.570 -6.211 5.338
23 HG3 LYS 3 HG1 LYS 3 8.158 -4.593 5.724
24 HD2 LYS 3 HD2 LYS 3 6.397 -4.421 7.462
25 HD3 LYS 3 HD1 LYS 3 5.942 -6.091 7.119
26 HE2 LYS 3 HE2 LYS 3 8.651 -5.167 8.064
27 HE3 LYS 3 HE1 LYS 3 7.413 -5.905 9.078
28 HZ1 LYS 3 HZ1 LYS 3 7.549 -7.896 7.670
29 HZ2 LYS 3 HZ2 LYS 3 9.019 -7.545 8.428
30 HZ3 LYS 3 HZ3 LYS 3 8.809 -7.184 6.791
31 H LYS 4 HN LYS 4 5.555 -5.455 1.360
32 HA LYS 4 HA LYS 4 4.202 -3.022 0.558
33 HB2 LYS 4 HB2 LYS 4 5.199 -4.569 -1.134
34 HB3 LYS 4 HB1 LYS 4 4.031 -5.798 -0.648
35 HG2 LYS 4 HG2 LYS 4 2.203 -4.294 -1.340
36 HG3 LYS 4 HG1 LYS 4 3.401 -3.124 -1.893
37 HD2 LYS 4 HD2 LYS 4 2.615 -4.389 -3.779
38 HD3 LYS 4 HD1 LYS 4 4.288 -4.838 -3.448
39 HE2 LYS 4 HE2 LYS 4 3.551 -6.864 -2.325
40 HE3 LYS 4 HE1 LYS 4 1.865 -6.391 -2.535
41 HZ1 LYS 4 HZ1 LYS 4 3.789 -7.041 -4.701
42 HZ2 LYS 4 HZ2 LYS 4 2.204 -6.508 -4.946
43 HZ3 LYS 4 HZ3 LYS 4 2.487 -7.995 -4.194
44 HA PRO 5 HA PRO 5 0.544 -4.298 2.790
45 HB2 PRO 5 HB2 PRO 5 -0.936 -2.108 1.705
46 HB3 PRO 5 HB1 PRO 5 -0.192 -2.221 3.309
47 HG2 PRO 5 HG2 PRO 5 0.590 -0.497 1.297
48 HG3 PRO 5 HG1 PRO 5 1.558 -0.954 2.710
49 HD2 PRO 5 HD2 PRO 5 1.738 -1.925 -0.092
50 HD3 PRO 5 HD1 PRO 5 3.019 -1.717 1.124
51 H LYS 6 HN LYS 6 -1.513 -5.149 2.325
52 HA LYS 6 HA LYS 6 -1.767 -6.278 -0.281
53 HB2 LYS 6 HB2 LYS 6 -3.614 -6.270 2.105
54 HB3 LYS 6 HB1 LYS 6 -3.950 -7.144 0.619
55 HG2 LYS 6 HG2 LYS 6 -1.989 -8.517 0.943
56 HG3 LYS 6 HG1 LYS 6 -1.551 -7.591 2.381
57 HD2 LYS 6 HD2 LYS 6 -2.675 -9.748 2.891
58 HD3 LYS 6 HD1 LYS 6 -3.518 -8.339 3.532
59 HE2 LYS 6 HE2 LYS 6 -5.063 -8.404 1.636
60 HE3 LYS 6 HE1 LYS 6 -4.220 -9.809 0.992
61 HZ1 LYS 6 HZ1 LYS 6 -5.615 -9.712 3.611
62 HZ2 LYS 6 HZ2 LYS 6 -4.878 -11.068 2.920
63 HZ3 LYS 6 HZ3 LYS 6 -6.248 -10.391 2.199
64 H LYS 7 HN LYS 7 -2.874 -5.572 -1.977
65 HA LYS 7 HA LYS 7 -4.170 -3.019 -1.932
66 HB2 LYS 7 HB2 LYS 7 -2.926 -3.837 -3.918
67 HB3 LYS 7 HB1 LYS 7 -4.100 -5.132 -4.106
68 HG2 LYS 7 HG2 LYS 7 -5.862 -3.473 -4.510
69 HG3 LYS 7 HG1 LYS 7 -4.660 -2.178 -4.363
70 HD2 LYS 7 HD2 LYS 7 -3.453 -3.022 -6.274
71 HD3 LYS 7 HD1 LYS 7 -4.519 -4.423 -6.376
72 HE2 LYS 7 HE2 LYS 7 -5.186 -2.843 -8.052
73 HE3 LYS 7 HE1 LYS 7 -6.419 -2.872 -6.797
74 HZ1 LYS 7 HZ1 LYS 7 -5.948 -0.621 -7.455
75 HZ2 LYS 7 HZ2 LYS 7 -4.303 -0.817 -7.127
76 HZ3 LYS 7 HZ3 LYS 7 -5.424 -0.851 -5.866
77 HA PRO 8 HA PRO 8 -8.016 -4.804 -0.440
78 HB2 PRO 8 HB2 PRO 8 -9.024 -2.069 -0.897
79 HB3 PRO 8 HB1 PRO 8 -8.971 -3.013 0.600
80 HG2 PRO 8 HG2 PRO 8 -7.371 -0.918 0.200
81 HG3 PRO 8 HG1 PRO 8 -6.864 -2.345 1.125
82 HD2 PRO 8 HD2 PRO 8 -6.156 -1.561 -1.662
83 HD3 PRO 8 HD1 PRO 8 -5.161 -2.335 -0.405
84 H GLY 9 HN GLY 9 -9.189 -5.988 -1.787
85 HA2 GLY 9 HA2 GLY 9 -10.402 -4.660 -4.114
86 HA3 GLY 9 HA1 GLY 9 -9.615 -6.220 -4.295
87 H ASP 10 HN ASP 10 -10.435 -7.531 -2.051
88 HA ASP 10 HA ASP 10 -13.237 -8.005 -2.685
89 HB2 ASP 10 HB2 ASP 10 -11.754 -9.945 -2.564
90 HB3 ASP 10 HB1 ASP 10 -11.317 -9.530 -0.910
91 H ASN 11 HN ASN 11 -14.609 -6.700 -1.695
92 HA ASN 11 HA ASN 11 -15.802 -5.653 -0.065
93 HB2 ASN 11 HB2 ASN 11 -15.807 -7.812 1.085
94 HB3 ASN 11 HB1 ASN 11 -14.244 -7.449 1.806
95 HD21 ASN 11 HD21 ASN 11 -15.099 -7.702 3.874
96 HD22 ASN 11 HD22 ASN 11 -16.120 -6.506 4.594
97 H ALA 12 HN ALA 12 -14.642 -3.755 -0.728
98 HA ALA 12 HA ALA 12 -13.281 -2.515 1.498
99 HB1 ALA 12 HB1 ALA 12 -11.340 -1.823 0.225
100 HB2 ALA 12 HB2 ALA 12 -11.930 -2.703 -1.186
101 HB3 ALA 12 HB3 ALA 12 -11.450 -3.583 0.263
102 H THR 13 HN THR 13 -13.474 -0.322 1.514
103 HA THR 13 HA THR 13 -15.323 0.841 -0.401
104 HB THR 13 HB THR 13 -15.337 2.764 1.170
105 HG1 THR 13 HG1 THR 13 -14.231 2.477 3.184
106 HG21 THR 13 HG21 THR 13 -16.928 0.914 1.436
107 HG22 THR 13 HG22 THR 13 -16.498 1.638 2.986
108 HG23 THR 13 HG23 THR 13 -15.787 0.098 2.505
109 HA PRO 14 HA PRO 14 -12.319 3.187 -2.736
110 HB2 PRO 14 HB2 PRO 14 -14.013 5.576 -2.153
111 HB3 PRO 14 HB1 PRO 14 -13.440 4.957 -3.716
112 HG2 PRO 14 HG2 PRO 14 -15.947 4.625 -3.035
113 HG3 PRO 14 HG1 PRO 14 -15.044 3.304 -3.808
114 HD2 PRO 14 HD2 PRO 14 -15.768 3.641 -0.917
115 HD3 PRO 14 HD1 PRO 14 -15.787 2.174 -1.917
116 H GLU 15 HN GLU 15 -13.504 4.487 0.307
117 HA GLU 15 HA GLU 15 -11.417 6.329 0.766
118 HB2 GLU 15 HB2 GLU 15 -13.162 4.870 2.761
119 HB3 GLU 15 HB1 GLU 15 -12.148 6.252 3.132
120 HG2 GLU 15 HG2 GLU 15 -14.363 7.051 2.932
121 HG3 GLU 15 HG1 GLU 15 -13.512 7.570 1.482
122 H LYS 16 HN LYS 16 -11.777 2.899 1.344
123 HA LYS 16 HA LYS 16 -9.488 2.630 3.017
124 HB2 LYS 16 HB2 LYS 16 -11.370 1.019 3.014
125 HB3 LYS 16 HB1 LYS 16 -10.931 0.535 1.379
126 HG2 LYS 16 HG2 LYS 16 -10.106 -1.089 2.949
127 HG3 LYS 16 HG1 LYS 16 -8.741 -0.226 2.237
128 HD2 LYS 16 HD2 LYS 16 -8.556 1.168 4.214
129 HD3 LYS 16 HD1 LYS 16 -9.975 0.392 4.919
130 HE2 LYS 16 HE2 LYS 16 -7.394 -1.002 4.221
131 HE3 LYS 16 HE1 LYS 16 -7.854 -0.469 5.837
132 HZ1 LYS 16 HZ1 LYS 16 -9.788 -1.946 5.700
133 HZ2 LYS 16 HZ2 LYS 16 -8.335 -2.796 5.568
134 HZ3 LYS 16 HZ3 LYS 16 -9.264 -2.498 4.190
135 H LEU 17 HN LEU 17 -10.114 2.452 -0.421
136 HA LEU 17 HA LEU 17 -7.581 1.476 -1.192
137 HB2 LEU 17 HB2 LEU 17 -9.779 2.918 -2.584
138 HB3 LEU 17 HB1 LEU 17 -8.199 2.895 -3.348
139 HG LEU 17 HG LEU 17 -9.546 1.130 -4.268
140 HD11 LEU 17 HD11 LEU 17 -8.147 -0.811 -3.798
141 HD12 LEU 17 HD12 LEU 17 -7.489 -0.000 -2.380
142 HD13 LEU 17 HD13 LEU 17 -7.181 0.650 -3.989
143 HD21 LEU 17 HD21 LEU 17 -10.448 -0.682 -2.920
144 HD22 LEU 17 HD22 LEU 17 -11.129 0.867 -2.429
145 HD23 LEU 17 HD23 LEU 17 -9.873 0.106 -1.454
146 H ALA 18 HN ALA 18 -8.823 4.710 -0.576
147 HA ALA 18 HA ALA 18 -6.594 6.180 -1.407
148 HB1 ALA 18 HB1 ALA 18 -8.755 7.188 -0.861
149 HB2 ALA 18 HB2 ALA 18 -7.442 7.947 0.039
150 HB3 ALA 18 HB3 ALA 18 -8.507 6.790 0.840
151 H ALA 19 HN ALA 19 -7.378 4.651 1.668
152 HA ALA 19 HA ALA 19 -5.112 5.443 3.109
153 HB1 ALA 19 HB1 ALA 19 -5.610 3.574 4.582
154 HB2 ALA 19 HB2 ALA 19 -6.701 2.901 3.370
155 HB3 ALA 19 HB3 ALA 19 -7.084 4.438 4.145
156 H TYR 20 HN TYR 20 -5.734 2.592 1.092
157 HA TYR 20 HA TYR 20 -3.229 1.374 1.433
158 HB2 TYR 20 HB2 TYR 20 -4.949 0.059 0.448
159 HB3 TYR 20 HB1 TYR 20 -5.219 1.243 -0.825
160 HD1 TYR 20 HD1 TYR 20 -4.198 0.959 -2.892
161 HD2 TYR 20 HD2 TYR 20 -2.588 -1.062 0.485
162 HE1 TYR 20 HE1 TYR 20 -2.631 -0.237 -4.363
163 HE2 TYR 20 HE2 TYR 20 -1.019 -2.268 -0.983
164 HH TYR 20 HH TYR 20 -0.509 -1.394 -4.244
165 H GLU 21 HN GLU 21 -4.374 3.706 -0.975
166 HA GLU 21 HA GLU 21 -2.035 3.759 -2.520
167 HB2 GLU 21 HB2 GLU 21 -4.102 5.911 -2.051
168 HB3 GLU 21 HB1 GLU 21 -2.836 6.019 -3.262
169 HG2 GLU 21 HG2 GLU 21 -3.760 3.950 -4.313
170 HG3 GLU 21 HG1 GLU 21 -5.095 4.030 -3.161
171 H LYS 22 HN LYS 22 -2.848 5.311 0.493
172 HA LYS 22 HA LYS 22 -0.602 7.080 0.493
173 HB2 LYS 22 HB2 LYS 22 -2.644 7.527 1.804
174 HB3 LYS 22 HB1 LYS 22 -2.297 6.126 2.805
175 HG2 LYS 22 HG2 LYS 22 -1.647 8.158 3.936
176 HG3 LYS 22 HG1 LYS 22 -0.224 7.187 3.560
177 HD2 LYS 22 HD2 LYS 22 0.211 9.530 3.099
178 HD3 LYS 22 HD1 LYS 22 0.206 8.606 1.598
179 HE2 LYS 22 HE2 LYS 22 -0.975 10.713 1.315
180 HE3 LYS 22 HE1 LYS 22 -2.079 9.352 1.146
181 HZ1 LYS 22 HZ1 LYS 22 -2.971 11.195 2.492
182 HZ2 LYS 22 HZ2 LYS 22 -1.753 10.933 3.637
183 HZ3 LYS 22 HZ3 LYS 22 -2.910 9.734 3.338
184 H GLU 23 HN GLU 23 -1.336 3.920 1.886
185 HA GLU 23 HA GLU 23 1.147 3.530 3.187
186 HB2 GLU 23 HB2 GLU 23 -0.785 1.490 2.060
187 HB3 GLU 23 HB1 GLU 23 0.543 1.124 3.150
188 HG2 GLU 23 HG2 GLU 23 -1.852 2.841 3.782
189 HG3 GLU 23 HG1 GLU 23 -1.575 1.182 4.327
190 H LEU 24 HN LEU 24 -0.047 2.898 -0.030
191 HA LEU 24 HA LEU 24 2.148 1.435 -1.019
192 HB2 LEU 24 HB2 LEU 24 -0.126 1.615 -2.076
193 HB3 LEU 24 HB1 LEU 24 0.292 3.243 -2.575
194 HG LEU 24 HG LEU 24 2.166 2.336 -3.913
195 HD11 LEU 24 HD11 LEU 24 2.298 -0.045 -4.353
196 HD12 LEU 24 HD12 LEU 24 0.983 -0.349 -3.218
197 HD13 LEU 24 HD13 LEU 24 2.525 0.275 -2.633
198 HD21 LEU 24 HD21 LEU 24 -0.535 1.163 -4.549
199 HD22 LEU 24 HD22 LEU 24 0.781 1.430 -5.692
200 HD23 LEU 24 HD23 LEU 24 -0.009 2.805 -4.920
201 H ALA 25 HN ALA 25 1.398 4.878 -0.925
202 HA ALA 25 HA ALA 25 3.594 5.819 -2.371
203 HB1 ALA 25 HB1 ALA 25 3.195 7.943 -1.266
204 HB2 ALA 25 HB2 ALA 25 2.199 7.139 -0.052
205 HB3 ALA 25 HB3 ALA 25 1.666 7.198 -1.732
206 H ALA 26 HN ALA 26 3.208 5.021 1.038
207 HA ALA 26 HA ALA 26 5.782 5.826 1.879
208 HB1 ALA 26 HB1 ALA 26 3.976 3.716 3.052
209 HB2 ALA 26 HB2 ALA 26 3.932 5.435 3.437
210 HB3 ALA 26 HB3 ALA 26 5.348 4.473 3.860
211 H TYR 27 HN TYR 27 4.453 2.773 0.746
212 HA TYR 27 HA TYR 27 6.776 1.226 1.100
213 HB2 TYR 27 HB2 TYR 27 4.704 0.082 0.849
214 HB3 TYR 27 HB1 TYR 27 4.363 0.893 -0.680
215 HD1 TYR 27 HD1 TYR 27 6.700 -1.497 0.923
216 HD2 TYR 27 HD2 TYR 27 4.981 -0.094 -2.692
217 HE1 TYR 27 HE1 TYR 27 7.755 -3.361 -0.291
218 HE2 TYR 27 HE2 TYR 27 6.014 -1.955 -3.924
219 HH TYR 27 HH TYR 27 7.441 -4.629 -2.336
220 H GLU 28 HN GLU 28 5.475 2.837 -1.811
221 HA GLU 28 HA GLU 28 7.569 1.976 -3.492
222 HB2 GLU 28 HB2 GLU 28 5.692 4.325 -3.764
223 HB3 GLU 28 HB1 GLU 28 6.812 3.814 -5.019
224 HG2 GLU 28 HG2 GLU 28 5.693 1.589 -5.031
225 HG3 GLU 28 HG1 GLU 28 4.495 2.234 -3.903
226 H LYS 29 HN LYS 29 7.343 4.558 -1.212
227 HA LYS 29 HA LYS 29 9.487 6.147 -2.145
228 HB2 LYS 29 HB2 LYS 29 7.811 6.810 -0.374
229 HB3 LYS 29 HB1 LYS 29 8.649 5.736 0.732
230 HG2 LYS 29 HG2 LYS 29 9.363 8.001 1.109
231 HG3 LYS 29 HG1 LYS 29 10.698 7.060 0.447
232 HD2 LYS 29 HD2 LYS 29 10.292 8.008 -1.768
233 HD3 LYS 29 HD1 LYS 29 8.917 8.918 -1.140
234 HE2 LYS 29 HE2 LYS 29 10.834 10.372 -1.310
235 HE3 LYS 29 HE1 LYS 29 10.442 10.111 0.388
236 HZ1 LYS 29 HZ1 LYS 29 12.811 9.976 0.021
237 HZ2 LYS 29 HZ2 LYS 29 12.605 8.755 -1.128
238 HZ3 LYS 29 HZ3 LYS 29 12.220 8.464 0.490
239 H GLU 30 HN GLU 30 9.326 3.599 0.328
240 HA GLU 30 HA GLU 30 12.136 3.435 0.700
241 HB2 GLU 30 HB2 GLU 30 9.958 1.429 1.329
242 HB3 GLU 30 HB1 GLU 30 11.626 1.298 1.865
243 HG2 GLU 30 HG2 GLU 30 11.384 3.383 3.122
244 HG3 GLU 30 HG1 GLU 30 9.707 3.494 2.591
245 H LEU 31 HN LEU 31 9.874 1.879 -1.453
246 HA LEU 31 HA LEU 31 11.501 -0.226 -2.357
247 HB2 LEU 31 HB2 LEU 31 9.050 -0.009 -2.788
248 HB3 LEU 31 HB1 LEU 31 9.406 1.266 -3.941
249 HG LEU 31 HG LEU 31 10.713 -0.362 -5.283
250 HD11 LEU 31 HD11 LEU 31 9.584 -2.357 -3.330
251 HD12 LEU 31 HD12 LEU 31 11.282 -1.906 -3.488
252 HD13 LEU 31 HD13 LEU 31 10.464 -2.742 -4.809
253 HD21 LEU 31 HD21 LEU 31 8.761 -1.561 -6.159
254 HD22 LEU 31 HD22 LEU 31 8.402 0.138 -5.845
255 HD23 LEU 31 HD23 LEU 31 7.846 -1.103 -4.722
256 H ALA 32 HN ALA 32 11.126 3.093 -3.487
257 HA ALA 32 HA ALA 32 12.813 2.934 -5.717
258 HB1 ALA 32 HB1 ALA 32 12.234 5.299 -3.951
259 HB2 ALA 32 HB2 ALA 32 11.286 4.785 -5.344
260 HB3 ALA 32 HB3 ALA 32 12.935 5.367 -5.567
261 H ALA 33 HN ALA 33 13.478 3.492 -2.312
262 HA ALA 33 HA ALA 33 16.253 4.106 -2.743
263 HB1 ALA 33 HB1 ALA 33 16.397 4.146 -0.312
264 HB2 ALA 33 HB2 ALA 33 14.772 3.469 -0.200
265 HB3 ALA 33 HB3 ALA 33 15.011 5.077 -0.879
266 H TYR 34 HN TYR 34 14.379 1.276 -2.405
267 HA TYR 34 HA TYR 34 16.364 -0.443 -1.298
268 HB2 TYR 34 HB2 TYR 34 13.969 -0.959 -1.150
269 HB3 TYR 34 HB1 TYR 34 13.870 -1.069 -2.904
270 HD1 TYR 34 HD1 TYR 34 14.056 -3.140 -3.909
271 HD2 TYR 34 HD2 TYR 34 15.665 -2.589 -0.014
272 HE1 TYR 34 HE1 TYR 34 14.554 -5.544 -3.783
273 HE2 TYR 34 HE2 TYR 34 16.172 -4.996 0.120
274 HH TYR 34 HH TYR 34 16.048 -7.054 -2.590
275 HN1 NH2 35 HN1 NH2 35 18.122 -1.112 -2.278
276 HN2 NH2 35 HN2 NH2 35 18.343 -1.322 -3.978
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 16.066 -2.100 3.747
2 H2 ACE 0 HA2 ACE 0 14.682 -2.201 2.663
3 H3 ACE 0 HA3 ACE 0 16.047 -3.284 2.409
4 HA PRO 1 HA PRO 1 13.500 -4.517 1.690
5 HB2 PRO 1 HB2 PRO 1 12.559 -7.091 2.834
6 HB3 PRO 1 HB1 PRO 1 13.161 -6.750 1.203
7 HG2 PRO 1 HG2 PRO 1 14.601 -8.140 2.947
8 HG3 PRO 1 HG1 PRO 1 15.354 -7.012 1.802
9 HD2 PRO 1 HD2 PRO 1 14.826 -6.655 4.722
10 HD3 PRO 1 HD1 PRO 1 16.216 -6.120 3.756
11 HA PRO 2 HA PRO 2 10.059 -3.184 4.286
12 HB2 PRO 2 HB2 PRO 2 8.925 -1.572 2.397
13 HB3 PRO 2 HB1 PRO 2 10.281 -1.064 3.420
14 HG2 PRO 2 HG2 PRO 2 10.252 -1.809 0.579
15 HG3 PRO 2 HG1 PRO 2 11.354 -0.743 1.464
16 HD2 PRO 2 HD2 PRO 2 11.871 -3.387 0.669
17 HD3 PRO 2 HD1 PRO 2 12.839 -2.417 1.792
18 H LYS 3 HN LYS 3 7.928 -3.814 4.387
19 HA LYS 3 HA LYS 3 7.136 -5.809 2.408
20 HB2 LYS 3 HB2 LYS 3 7.056 -6.420 4.799
21 HB3 LYS 3 HB1 LYS 3 5.918 -5.116 5.090
22 HG2 LYS 3 HG2 LYS 3 4.269 -6.199 3.684
23 HG3 LYS 3 HG1 LYS 3 5.415 -7.481 3.297
24 HD2 LYS 3 HD2 LYS 3 4.119 -8.447 4.959
25 HD3 LYS 3 HD1 LYS 3 5.509 -7.848 5.858
26 HE2 LYS 3 HE2 LYS 3 2.908 -6.350 5.582
27 HE3 LYS 3 HE1 LYS 3 3.285 -7.419 6.928
28 HZ1 LYS 3 HZ1 LYS 3 4.671 -4.903 6.198
29 HZ2 LYS 3 HZ2 LYS 3 5.243 -5.977 7.368
30 HZ3 LYS 3 HZ3 LYS 3 3.757 -5.205 7.586
31 H LYS 4 HN LYS 4 5.290 -5.625 1.154
32 HA LYS 4 HA LYS 4 4.219 -2.929 0.944
33 HB2 LYS 4 HB2 LYS 4 4.931 -4.204 -1.096
34 HB3 LYS 4 HB1 LYS 4 3.632 -5.352 -0.777
35 HG2 LYS 4 HG2 LYS 4 2.016 -3.445 -0.957
36 HG3 LYS 4 HG1 LYS 4 3.363 -2.438 -1.491
37 HD2 LYS 4 HD2 LYS 4 2.269 -3.190 -3.451
38 HD3 LYS 4 HD1 LYS 4 3.752 -4.135 -3.317
39 HE2 LYS 4 HE2 LYS 4 1.948 -5.607 -3.930
40 HE3 LYS 4 HE1 LYS 4 2.427 -5.965 -2.272
41 HZ1 LYS 4 HZ1 LYS 4 0.093 -4.303 -3.071
42 HZ2 LYS 4 HZ2 LYS 4 0.546 -4.670 -1.480
43 HZ3 LYS 4 HZ3 LYS 4 0.023 -5.901 -2.515
44 HA PRO 5 HA PRO 5 0.496 -4.062 3.230
45 HB2 PRO 5 HB2 PRO 5 -0.992 -1.948 2.198
46 HB3 PRO 5 HB1 PRO 5 -0.004 -1.876 3.668
47 HG2 PRO 5 HG2 PRO 5 0.615 -0.915 0.934
48 HG3 PRO 5 HG1 PRO 5 1.058 -0.228 2.507
49 HD2 PRO 5 HD2 PRO 5 2.830 -1.580 0.998
50 HD3 PRO 5 HD1 PRO 5 2.858 -1.633 2.775
51 H LYS 6 HN LYS 6 -1.599 -4.819 2.636
52 HA LYS 6 HA LYS 6 -1.577 -5.939 -0.040
53 HB2 LYS 6 HB2 LYS 6 -3.343 -6.466 2.349
54 HB3 LYS 6 HB1 LYS 6 -3.448 -7.334 0.821
55 HG2 LYS 6 HG2 LYS 6 -1.213 -8.186 1.101
56 HG3 LYS 6 HG1 LYS 6 -0.999 -7.228 2.563
57 HD2 LYS 6 HD2 LYS 6 -2.794 -8.487 3.647
58 HD3 LYS 6 HD1 LYS 6 -2.997 -9.453 2.183
59 HE2 LYS 6 HE2 LYS 6 -1.661 -10.663 3.805
60 HE3 LYS 6 HE1 LYS 6 -0.682 -10.242 2.403
61 HZ1 LYS 6 HZ1 LYS 6 -0.698 -8.799 4.996
62 HZ2 LYS 6 HZ2 LYS 6 0.236 -8.383 3.651
63 HZ3 LYS 6 HZ3 LYS 6 0.514 -9.844 4.456
64 H LYS 7 HN LYS 7 -2.940 -5.490 -1.629
65 HA LYS 7 HA LYS 7 -4.462 -3.072 -1.529
66 HB2 LYS 7 HB2 LYS 7 -3.269 -3.721 -3.573
67 HB3 LYS 7 HB1 LYS 7 -4.218 -5.196 -3.678
68 HG2 LYS 7 HG2 LYS 7 -6.262 -3.790 -3.949
69 HG3 LYS 7 HG1 LYS 7 -5.203 -2.371 -4.038
70 HD2 LYS 7 HD2 LYS 7 -4.111 -3.249 -6.001
71 HD3 LYS 7 HD1 LYS 7 -5.001 -4.768 -5.867
72 HE2 LYS 7 HE2 LYS 7 -6.023 -3.442 -7.585
73 HE3 LYS 7 HE1 LYS 7 -7.111 -3.486 -6.200
74 HZ1 LYS 7 HZ1 LYS 7 -6.983 -1.274 -7.086
75 HZ2 LYS 7 HZ2 LYS 7 -5.301 -1.256 -6.944
76 HZ3 LYS 7 HZ3 LYS 7 -6.264 -1.292 -5.556
77 HA PRO 8 HA PRO 8 -8.238 -5.078 -0.076
78 HB2 PRO 8 HB2 PRO 8 -9.339 -2.402 -0.662
79 HB3 PRO 8 HB1 PRO 8 -9.357 -3.317 0.853
80 HG2 PRO 8 HG2 PRO 8 -7.821 -1.162 0.528
81 HG3 PRO 8 HG1 PRO 8 -7.321 -2.549 1.512
82 HD2 PRO 8 HD2 PRO 8 -6.439 -1.763 -1.220
83 HD3 PRO 8 HD1 PRO 8 -5.513 -2.503 0.107
84 H GLY 9 HN GLY 9 -9.268 -6.354 -1.485
85 HA2 GLY 9 HA2 GLY 9 -10.010 -5.199 -4.097
86 HA3 GLY 9 HA1 GLY 9 -9.497 -6.865 -3.892
87 H ASP 10 HN ASP 10 -10.974 -7.577 -1.647
88 HA ASP 10 HA ASP 10 -13.635 -7.649 -2.857
89 HB2 ASP 10 HB2 ASP 10 -14.050 -9.628 -1.513
90 HB3 ASP 10 HB1 ASP 10 -12.543 -9.821 -2.396
91 H ASN 11 HN ASN 11 -15.293 -6.660 -2.018
92 HA ASN 11 HA ASN 11 -16.489 -5.178 -0.766
93 HB2 ASN 11 HB2 ASN 11 -16.673 -7.323 0.578
94 HB3 ASN 11 HB1 ASN 11 -15.415 -6.679 1.624
95 HD21 ASN 11 HD21 ASN 11 -18.705 -6.260 0.513
96 HD22 ASN 11 HD22 ASN 11 -19.212 -5.222 1.802
97 H ALA 12 HN ALA 12 -14.852 -3.567 -1.491
98 HA ALA 12 HA ALA 12 -13.547 -2.363 0.838
99 HB1 ALA 12 HB1 ALA 12 -11.843 -3.621 -0.382
100 HB2 ALA 12 HB2 ALA 12 -11.544 -1.884 -0.438
101 HB3 ALA 12 HB3 ALA 12 -12.222 -2.708 -1.842
102 H THR 13 HN THR 13 -13.788 -0.247 1.001
103 HA THR 13 HA THR 13 -15.274 1.184 -1.035
104 HB THR 13 HB THR 13 -15.251 3.010 0.700
105 HG1 THR 13 HG1 THR 13 -14.594 2.293 2.828
106 HG21 THR 13 HG21 THR 13 -17.117 1.422 0.477
107 HG22 THR 13 HG22 THR 13 -16.875 1.935 2.146
108 HG23 THR 13 HG23 THR 13 -16.316 0.347 1.623
109 HA PRO 14 HA PRO 14 -11.888 3.504 -2.811
110 HB2 PRO 14 HB2 PRO 14 -13.485 5.932 -2.102
111 HB3 PRO 14 HB1 PRO 14 -12.764 5.477 -3.660
112 HG2 PRO 14 HG2 PRO 14 -15.349 5.236 -3.311
113 HG3 PRO 14 HG1 PRO 14 -14.434 3.964 -4.149
114 HD2 PRO 14 HD2 PRO 14 -15.505 3.970 -1.358
115 HD3 PRO 14 HD1 PRO 14 -15.430 2.642 -2.531
116 H GLU 15 HN GLU 15 -13.288 4.605 0.219
117 HA GLU 15 HA GLU 15 -11.161 6.190 1.134
118 HB2 GLU 15 HB2 GLU 15 -13.389 6.250 2.147
119 HB3 GLU 15 HB1 GLU 15 -13.203 4.590 2.688
120 HG2 GLU 15 HG2 GLU 15 -11.311 5.312 4.105
121 HG3 GLU 15 HG1 GLU 15 -11.640 6.974 3.627
122 H LYS 16 HN LYS 16 -11.778 2.734 1.304
123 HA LYS 16 HA LYS 16 -9.633 2.169 3.103
124 HB2 LYS 16 HB2 LYS 16 -11.649 0.728 2.858
125 HB3 LYS 16 HB1 LYS 16 -11.118 0.306 1.234
126 HG2 LYS 16 HG2 LYS 16 -10.523 -1.480 2.690
127 HG3 LYS 16 HG1 LYS 16 -9.039 -0.639 2.241
128 HD2 LYS 16 HD2 LYS 16 -8.979 -1.149 4.596
129 HD3 LYS 16 HD1 LYS 16 -9.145 0.595 4.390
130 HE2 LYS 16 HE2 LYS 16 -10.610 -0.221 6.161
131 HE3 LYS 16 HE1 LYS 16 -11.546 0.420 4.814
132 HZ1 LYS 16 HZ1 LYS 16 -11.032 -2.447 5.389
133 HZ2 LYS 16 HZ2 LYS 16 -11.867 -1.869 4.040
134 HZ3 LYS 16 HZ3 LYS 16 -12.501 -1.631 5.587
135 H LEU 17 HN LEU 17 -10.101 2.165 -0.376
136 HA LEU 17 HA LEU 17 -7.560 1.107 -1.048
137 HB2 LEU 17 HB2 LEU 17 -9.663 2.611 -2.532
138 HB3 LEU 17 HB1 LEU 17 -8.065 2.481 -3.241
139 HG LEU 17 HG LEU 17 -9.452 0.767 -4.172
140 HD11 LEU 17 HD11 LEU 17 -7.134 0.152 -3.732
141 HD12 LEU 17 HD12 LEU 17 -8.207 -1.238 -3.592
142 HD13 LEU 17 HD13 LEU 17 -7.594 -0.451 -2.140
143 HD21 LEU 17 HD21 LEU 17 -10.553 -0.935 -2.838
144 HD22 LEU 17 HD22 LEU 17 -11.143 0.671 -2.404
145 HD23 LEU 17 HD23 LEU 17 -9.992 -0.160 -1.356
146 H ALA 18 HN ALA 18 -8.764 4.369 -0.514
147 HA ALA 18 HA ALA 18 -6.501 5.797 -1.308
148 HB1 ALA 18 HB1 ALA 18 -7.366 7.604 0.037
149 HB2 ALA 18 HB2 ALA 18 -8.404 6.483 0.918
150 HB3 ALA 18 HB3 ALA 18 -8.696 6.794 -0.792
151 H ALA 19 HN ALA 19 -7.367 4.347 1.789
152 HA ALA 19 HA ALA 19 -5.148 5.127 3.282
153 HB1 ALA 19 HB1 ALA 19 -7.124 4.056 4.249
154 HB2 ALA 19 HB2 ALA 19 -5.643 3.219 4.713
155 HB3 ALA 19 HB3 ALA 19 -6.683 2.542 3.459
156 H TYR 20 HN TYR 20 -5.651 2.349 1.176
157 HA TYR 20 HA TYR 20 -3.141 1.143 1.577
158 HB2 TYR 20 HB2 TYR 20 -4.905 -0.146 0.574
159 HB3 TYR 20 HB1 TYR 20 -5.069 1.008 -0.743
160 HD1 TYR 20 HD1 TYR 20 -4.001 0.578 -2.754
161 HD2 TYR 20 HD2 TYR 20 -2.553 -1.284 0.778
162 HE1 TYR 20 HE1 TYR 20 -2.408 -0.725 -4.106
163 HE2 TYR 20 HE2 TYR 20 -0.963 -2.597 -0.564
164 HH TYR 20 HH TYR 20 -0.343 -1.932 -3.871
165 H GLU 21 HN GLU 21 -4.290 3.383 -0.935
166 HA GLU 21 HA GLU 21 -1.885 3.420 -2.383
167 HB2 GLU 21 HB2 GLU 21 -4.044 5.527 -2.207
168 HB3 GLU 21 HB1 GLU 21 -2.732 5.545 -3.375
169 HG2 GLU 21 HG2 GLU 21 -3.594 3.234 -4.084
170 HG3 GLU 21 HG1 GLU 21 -5.049 3.654 -3.182
171 H LYS 22 HN LYS 22 -2.942 5.276 0.402
172 HA LYS 22 HA LYS 22 -0.867 7.180 0.368
173 HB2 LYS 22 HB2 LYS 22 -2.838 7.498 1.750
174 HB3 LYS 22 HB1 LYS 22 -2.449 6.064 2.691
175 HG2 LYS 22 HG2 LYS 22 -0.403 7.168 3.499
176 HG3 LYS 22 HG1 LYS 22 -0.834 8.615 2.586
177 HD2 LYS 22 HD2 LYS 22 -2.484 7.379 4.795
178 HD3 LYS 22 HD1 LYS 22 -1.446 8.794 4.964
179 HE2 LYS 22 HE2 LYS 22 -2.807 10.003 3.341
180 HE3 LYS 22 HE1 LYS 22 -3.826 8.582 3.121
181 HZ1 LYS 22 HZ1 LYS 22 -4.539 8.748 5.398
182 HZ2 LYS 22 HZ2 LYS 22 -4.803 10.227 4.625
183 HZ3 LYS 22 HZ3 LYS 22 -3.496 10.048 5.679
184 H GLU 23 HN GLU 23 -1.161 4.017 1.928
185 HA GLU 23 HA GLU 23 1.466 4.110 3.052
186 HB2 GLU 23 HB2 GLU 23 -0.460 1.812 2.649
187 HB3 GLU 23 HB1 GLU 23 1.074 1.675 3.506
188 HG2 GLU 23 HG2 GLU 23 0.262 3.447 5.070
189 HG3 GLU 23 HG1 GLU 23 -1.314 3.332 4.276
190 H LEU 24 HN LEU 24 0.044 2.950 0.098
191 HA LEU 24 HA LEU 24 2.198 1.421 -0.870
192 HB2 LEU 24 HB2 LEU 24 -0.089 1.452 -1.857
193 HB3 LEU 24 HB1 LEU 24 0.223 3.069 -2.462
194 HG LEU 24 HG LEU 24 2.073 2.179 -3.843
195 HD11 LEU 24 HD11 LEU 24 2.610 0.221 -2.479
196 HD12 LEU 24 HD12 LEU 24 2.299 -0.220 -4.159
197 HD13 LEU 24 HD13 LEU 24 1.069 -0.514 -2.928
198 HD21 LEU 24 HD21 LEU 24 0.662 1.119 -5.507
199 HD22 LEU 24 HD22 LEU 24 -0.179 2.478 -4.759
200 HD23 LEU 24 HD23 LEU 24 -0.582 0.825 -4.292
201 H ALA 25 HN ALA 25 1.408 4.851 -1.157
202 HA ALA 25 HA ALA 25 3.550 5.621 -2.778
203 HB1 ALA 25 HB1 ALA 25 3.167 7.875 -1.816
204 HB2 ALA 25 HB2 ALA 25 2.054 7.144 -0.659
205 HB3 ALA 25 HB3 ALA 25 1.694 7.090 -2.382
206 H ALA 26 HN ALA 26 3.277 5.321 0.732
207 HA ALA 26 HA ALA 26 5.864 6.284 1.344
208 HB1 ALA 26 HB1 ALA 26 4.040 6.121 2.992
209 HB2 ALA 26 HB2 ALA 26 5.517 5.326 3.537
210 HB3 ALA 26 HB3 ALA 26 4.169 4.363 2.931
211 H TYR 27 HN TYR 27 4.553 3.082 0.712
212 HA TYR 27 HA TYR 27 6.904 1.611 1.178
213 HB2 TYR 27 HB2 TYR 27 4.858 0.406 1.071
214 HB3 TYR 27 HB1 TYR 27 4.462 1.075 -0.513
215 HD1 TYR 27 HD1 TYR 27 6.649 -1.304 1.269
216 HD2 TYR 27 HD2 TYR 27 5.270 0.082 -2.500
217 HE1 TYR 27 HE1 TYR 27 7.686 -3.258 0.181
218 HE2 TYR 27 HE2 TYR 27 6.293 -1.863 -3.604
219 HH TYR 27 HH TYR 27 8.004 -3.503 -3.243
220 H GLU 28 HN GLU 28 5.552 2.988 -1.815
221 HA GLU 28 HA GLU 28 7.568 2.026 -3.519
222 HB2 GLU 28 HB2 GLU 28 5.791 4.451 -3.798
223 HB3 GLU 28 HB1 GLU 28 6.827 3.835 -5.076
224 HG2 GLU 28 HG2 GLU 28 5.595 1.701 -5.016
225 HG3 GLU 28 HG1 GLU 28 4.510 2.384 -3.800
226 H LYS 29 HN LYS 29 7.439 4.778 -1.398
227 HA LYS 29 HA LYS 29 9.666 6.200 -2.371
228 HB2 LYS 29 HB2 LYS 29 8.157 7.187 -0.738
229 HB3 LYS 29 HB1 LYS 29 8.563 5.942 0.436
230 HG2 LYS 29 HG2 LYS 29 10.868 6.779 0.516
231 HG3 LYS 29 HG1 LYS 29 10.442 8.047 -0.635
232 HD2 LYS 29 HD2 LYS 29 10.438 8.919 1.636
233 HD3 LYS 29 HD1 LYS 29 8.805 8.940 0.973
234 HE2 LYS 29 HE2 LYS 29 8.742 8.164 3.258
235 HE3 LYS 29 HE1 LYS 29 8.325 6.836 2.179
236 HZ1 LYS 29 HZ1 LYS 29 10.635 6.050 2.387
237 HZ2 LYS 29 HZ2 LYS 29 9.821 6.067 3.867
238 HZ3 LYS 29 HZ3 LYS 29 10.941 7.278 3.506
239 H GLU 30 HN GLU 30 9.381 3.720 0.157
240 HA GLU 30 HA GLU 30 12.175 3.524 0.620
241 HB2 GLU 30 HB2 GLU 30 9.927 1.600 1.240
242 HB3 GLU 30 HB1 GLU 30 11.591 1.349 1.735
243 HG2 GLU 30 HG2 GLU 30 11.472 3.514 2.974
244 HG3 GLU 30 HG1 GLU 30 9.750 3.559 2.599
245 H LEU 31 HN LEU 31 9.959 2.001 -1.583
246 HA LEU 31 HA LEU 31 11.608 -0.113 -2.462
247 HB2 LEU 31 HB2 LEU 31 9.163 0.061 -2.890
248 HB3 LEU 31 HB1 LEU 31 9.480 1.373 -4.010
249 HG LEU 31 HG LEU 31 10.833 -0.212 -5.387
250 HD11 LEU 31 HD11 LEU 31 11.379 -1.820 -3.654
251 HD12 LEU 31 HD12 LEU 31 10.535 -2.609 -4.988
252 HD13 LEU 31 HD13 LEU 31 9.674 -2.247 -3.492
253 HD21 LEU 31 HD21 LEU 31 8.881 -1.375 -6.317
254 HD22 LEU 31 HD22 LEU 31 8.546 0.323 -5.977
255 HD23 LEU 31 HD23 LEU 31 7.950 -0.928 -4.887
256 H ALA 32 HN ALA 32 11.116 3.181 -3.674
257 HA ALA 32 HA ALA 32 12.857 3.049 -5.860
258 HB1 ALA 32 HB1 ALA 32 12.832 5.471 -5.811
259 HB2 ALA 32 HB2 ALA 32 12.177 5.448 -4.174
260 HB3 ALA 32 HB3 ALA 32 11.214 4.833 -5.518
261 H ALA 33 HN ALA 33 13.426 3.851 -2.470
262 HA ALA 33 HA ALA 33 16.182 4.480 -2.808
263 HB1 ALA 33 HB1 ALA 33 14.829 5.279 -0.914
264 HB2 ALA 33 HB2 ALA 33 16.294 4.447 -0.397
265 HB3 ALA 33 HB3 ALA 33 14.737 3.626 -0.309
266 H TYR 34 HN TYR 34 14.378 1.560 -2.331
267 HA TYR 34 HA TYR 34 16.466 -0.114 -1.408
268 HB2 TYR 34 HB2 TYR 34 14.018 -0.618 -1.238
269 HB3 TYR 34 HB1 TYR 34 13.991 -0.887 -2.976
270 HD1 TYR 34 HD1 TYR 34 15.471 -2.104 0.185
271 HD2 TYR 34 HD2 TYR 34 14.544 -2.992 -3.865
272 HE1 TYR 34 HE1 TYR 34 16.060 -4.459 0.574
273 HE2 TYR 34 HE2 TYR 34 15.127 -5.353 -3.488
274 HH TYR 34 HH TYR 34 16.495 -6.686 -1.941
275 HN1 NH2 35 HN1 NH2 35 15.135 0.523 -4.614
276 HN2 NH2 35 HN2 NH2 35 16.459 -0.144 -5.505
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 15.827 -3.007 3.458
2 H2 ACE 0 HA2 ACE 0 14.296 -2.766 2.620
3 H3 ACE 0 HA3 ACE 0 15.499 -3.843 1.913
4 HA PRO 1 HA PRO 1 13.023 -4.878 1.160
5 HB2 PRO 1 HB2 PRO 1 11.475 -7.166 1.619
6 HB3 PRO 1 HB1 PRO 1 12.847 -7.067 0.501
7 HG2 PRO 1 HG2 PRO 1 12.738 -8.129 3.267
8 HG3 PRO 1 HG1 PRO 1 13.664 -8.699 1.863
9 HD2 PRO 1 HD2 PRO 1 14.851 -7.318 3.835
10 HD3 PRO 1 HD1 PRO 1 15.325 -7.096 2.137
11 HA PRO 2 HA PRO 2 10.073 -3.097 4.035
12 HB2 PRO 2 HB2 PRO 2 8.897 -1.428 2.222
13 HB3 PRO 2 HB1 PRO 2 10.445 -1.069 3.006
14 HG2 PRO 2 HG2 PRO 2 9.900 -2.042 0.268
15 HG3 PRO 2 HG1 PRO 2 11.174 -0.961 0.858
16 HD2 PRO 2 HD2 PRO 2 11.525 -3.635 0.258
17 HD3 PRO 2 HD1 PRO 2 12.586 -2.688 1.321
18 H LYS 3 HN LYS 3 7.860 -3.333 4.404
19 HA LYS 3 HA LYS 3 6.701 -5.510 2.869
20 HB2 LYS 3 HB2 LYS 3 5.670 -4.204 5.392
21 HB3 LYS 3 HB1 LYS 3 5.129 -5.729 4.703
22 HG2 LYS 3 HG2 LYS 3 7.854 -5.154 5.848
23 HG3 LYS 3 HG1 LYS 3 6.582 -6.123 6.593
24 HD2 LYS 3 HD2 LYS 3 6.723 -7.743 4.794
25 HD3 LYS 3 HD1 LYS 3 7.922 -6.752 3.962
26 HE2 LYS 3 HE2 LYS 3 8.270 -8.000 6.681
27 HE3 LYS 3 HE1 LYS 3 8.930 -8.638 5.178
28 HZ1 LYS 3 HZ1 LYS 3 10.208 -6.578 4.934
29 HZ2 LYS 3 HZ2 LYS 3 10.594 -7.390 6.366
30 HZ3 LYS 3 HZ3 LYS 3 9.604 -6.023 6.414
31 H LYS 4 HN LYS 4 5.300 -5.185 1.312
32 HA LYS 4 HA LYS 4 4.238 -2.548 0.838
33 HB2 LYS 4 HB2 LYS 4 5.085 -3.936 -1.029
34 HB3 LYS 4 HB1 LYS 4 3.830 -5.129 -0.697
35 HG2 LYS 4 HG2 LYS 4 2.116 -3.439 -1.226
36 HG3 LYS 4 HG1 LYS 4 3.398 -2.293 -1.627
37 HD2 LYS 4 HD2 LYS 4 4.197 -3.818 -3.379
38 HD3 LYS 4 HD1 LYS 4 2.895 -4.940 -2.985
39 HE2 LYS 4 HE2 LYS 4 1.239 -3.255 -3.592
40 HE3 LYS 4 HE1 LYS 4 2.522 -2.101 -3.952
41 HZ1 LYS 4 HZ1 LYS 4 3.305 -3.617 -5.693
42 HZ2 LYS 4 HZ2 LYS 4 1.717 -3.110 -5.969
43 HZ3 LYS 4 HZ3 LYS 4 2.013 -4.661 -5.371
44 HA PRO 5 HA PRO 5 0.303 -3.386 2.851
45 HB2 PRO 5 HB2 PRO 5 -1.016 -1.295 1.620
46 HB3 PRO 5 HB1 PRO 5 -0.063 -1.135 3.108
47 HG2 PRO 5 HG2 PRO 5 0.691 -0.488 0.309
48 HG3 PRO 5 HG1 PRO 5 1.069 0.375 1.811
49 HD2 PRO 5 HD2 PRO 5 2.886 -1.176 0.587
50 HD3 PRO 5 HD1 PRO 5 2.800 -1.043 2.358
51 H LYS 6 HN LYS 6 -1.426 -4.544 2.187
52 HA LYS 6 HA LYS 6 -1.385 -5.468 -0.543
53 HB2 LYS 6 HB2 LYS 6 -3.202 -6.218 1.755
54 HB3 LYS 6 HB1 LYS 6 -3.105 -7.060 0.214
55 HG2 LYS 6 HG2 LYS 6 -0.892 -6.813 2.243
56 HG3 LYS 6 HG1 LYS 6 -1.876 -8.244 1.946
57 HD2 LYS 6 HD2 LYS 6 -0.059 -6.936 -0.079
58 HD3 LYS 6 HD1 LYS 6 0.347 -8.363 0.874
59 HE2 LYS 6 HE2 LYS 6 -1.492 -9.586 -0.138
60 HE3 LYS 6 HE1 LYS 6 -1.961 -8.155 -1.056
61 HZ1 LYS 6 HZ1 LYS 6 -0.668 -9.729 -2.376
62 HZ2 LYS 6 HZ2 LYS 6 0.637 -9.566 -1.312
63 HZ3 LYS 6 HZ3 LYS 6 0.126 -8.242 -2.230
64 H LYS 7 HN LYS 7 -2.701 -4.872 -2.128
65 HA LYS 7 HA LYS 7 -4.420 -2.624 -1.779
66 HB2 LYS 7 HB2 LYS 7 -3.156 -3.015 -3.877
67 HB3 LYS 7 HB1 LYS 7 -4.107 -4.464 -4.166
68 HG2 LYS 7 HG2 LYS 7 -6.139 -3.089 -4.324
69 HG3 LYS 7 HG1 LYS 7 -5.153 -1.634 -4.095
70 HD2 LYS 7 HD2 LYS 7 -3.925 -2.108 -6.128
71 HD3 LYS 7 HD1 LYS 7 -4.796 -3.628 -6.339
72 HE2 LYS 7 HE2 LYS 7 -5.758 -1.987 -7.804
73 HE3 LYS 7 HE1 LYS 7 -6.909 -2.326 -6.514
74 HZ1 LYS 7 HZ1 LYS 7 -6.158 -0.295 -5.396
75 HZ2 LYS 7 HZ2 LYS 7 -6.786 0.026 -6.930
76 HZ3 LYS 7 HZ3 LYS 7 -5.117 0.034 -6.686
77 HA PRO 8 HA PRO 8 -7.940 -5.005 -0.337
78 HB2 PRO 8 HB2 PRO 8 -9.297 -2.452 -1.040
79 HB3 PRO 8 HB1 PRO 8 -9.338 -3.368 0.477
80 HG2 PRO 8 HG2 PRO 8 -7.959 -1.112 0.276
81 HG3 PRO 8 HG1 PRO 8 -7.374 -2.485 1.235
82 HD2 PRO 8 HD2 PRO 8 -6.458 -1.519 -1.424
83 HD3 PRO 8 HD1 PRO 8 -5.530 -2.265 -0.101
84 H GLY 9 HN GLY 9 -8.751 -6.473 -1.695
85 HA2 GLY 9 HA2 GLY 9 -10.123 -5.524 -4.113
86 HA3 GLY 9 HA1 GLY 9 -8.906 -6.781 -4.257
87 H ASP 10 HN ASP 10 -10.678 -6.884 -1.370
88 HA ASP 10 HA ASP 10 -12.311 -9.084 -2.441
89 HB2 ASP 10 HB2 ASP 10 -10.803 -9.753 -0.629
90 HB3 ASP 10 HB1 ASP 10 -11.500 -8.522 0.419
91 H ASN 11 HN ASN 11 -12.551 -6.700 0.186
92 HA ASN 11 HA ASN 11 -14.958 -5.572 -0.861
93 HB2 ASN 11 HB2 ASN 11 -15.891 -7.636 0.128
94 HB3 ASN 11 HB1 ASN 11 -15.181 -7.203 1.680
95 HD21 ASN 11 HD21 ASN 11 -17.198 -7.145 2.682
96 HD22 ASN 11 HD22 ASN 11 -18.327 -5.863 2.404
97 H ALA 12 HN ALA 12 -13.865 -3.636 -0.647
98 HA ALA 12 HA ALA 12 -13.752 -2.604 2.080
99 HB1 ALA 12 HB1 ALA 12 -11.481 -3.355 1.576
100 HB2 ALA 12 HB2 ALA 12 -11.563 -1.601 1.730
101 HB3 ALA 12 HB3 ALA 12 -11.465 -2.343 0.133
102 H THR 13 HN THR 13 -13.783 -0.290 2.182
103 HA THR 13 HA THR 13 -15.455 0.847 0.157
104 HB THR 13 HB THR 13 -15.340 2.894 1.584
105 HG1 THR 13 HG1 THR 13 -14.275 2.676 3.615
106 HG21 THR 13 HG21 THR 13 -16.597 1.942 3.452
107 HG22 THR 13 HG22 THR 13 -16.013 0.332 3.030
108 HG23 THR 13 HG23 THR 13 -17.075 1.203 1.924
109 HA PRO 14 HA PRO 14 -12.576 2.982 -2.473
110 HB2 PRO 14 HB2 PRO 14 -14.088 5.464 -1.751
111 HB3 PRO 14 HB1 PRO 14 -13.651 4.840 -3.356
112 HG2 PRO 14 HG2 PRO 14 -16.116 4.601 -2.507
113 HG3 PRO 14 HG1 PRO 14 -15.322 3.247 -3.345
114 HD2 PRO 14 HD2 PRO 14 -15.867 3.582 -0.419
115 HD3 PRO 14 HD1 PRO 14 -15.951 2.120 -1.423
116 H GLU 15 HN GLU 15 -13.360 4.415 0.639
117 HA GLU 15 HA GLU 15 -11.149 6.147 0.829
118 HB2 GLU 15 HB2 GLU 15 -13.166 6.327 2.250
119 HB3 GLU 15 HB1 GLU 15 -12.712 4.834 3.056
120 HG2 GLU 15 HG2 GLU 15 -10.666 5.899 3.863
121 HG3 GLU 15 HG1 GLU 15 -11.145 7.397 3.075
122 H LYS 16 HN LYS 16 -11.594 2.746 1.568
123 HA LYS 16 HA LYS 16 -9.147 2.458 3.002
124 HB2 LYS 16 HB2 LYS 16 -11.092 0.928 3.258
125 HB3 LYS 16 HB1 LYS 16 -10.804 0.333 1.627
126 HG2 LYS 16 HG2 LYS 16 -9.910 -1.207 3.270
127 HG3 LYS 16 HG1 LYS 16 -8.600 -0.488 2.330
128 HD2 LYS 16 HD2 LYS 16 -8.078 1.034 4.119
129 HD3 LYS 16 HD1 LYS 16 -9.483 0.498 5.039
130 HE2 LYS 16 HE2 LYS 16 -7.380 -0.470 5.871
131 HE3 LYS 16 HE1 LYS 16 -8.512 -1.699 5.311
132 HZ1 LYS 16 HZ1 LYS 16 -7.268 -1.936 3.299
133 HZ2 LYS 16 HZ2 LYS 16 -6.200 -2.079 4.598
134 HZ3 LYS 16 HZ3 LYS 16 -6.250 -0.648 3.703
135 H LEU 17 HN LEU 17 -10.157 2.095 -0.335
136 HA LEU 17 HA LEU 17 -7.707 1.118 -1.341
137 HB2 LEU 17 HB2 LEU 17 -10.034 2.545 -2.570
138 HB3 LEU 17 HB1 LEU 17 -8.570 2.293 -3.501
139 HG LEU 17 HG LEU 17 -10.107 0.567 -4.073
140 HD11 LEU 17 HD11 LEU 17 -8.066 -0.576 -2.183
141 HD12 LEU 17 HD12 LEU 17 -7.762 -0.092 -3.850
142 HD13 LEU 17 HD13 LEU 17 -8.862 -1.426 -3.507
143 HD21 LEU 17 HD21 LEU 17 -11.078 -0.964 -2.453
144 HD22 LEU 17 HD22 LEU 17 -11.557 0.699 -2.114
145 HD23 LEU 17 HD23 LEU 17 -10.311 -0.075 -1.137
146 H ALA 18 HN ALA 18 -8.942 4.356 -0.740
147 HA ALA 18 HA ALA 18 -6.772 5.767 -1.872
148 HB1 ALA 18 HB1 ALA 18 -8.617 6.604 0.357
149 HB2 ALA 18 HB2 ALA 18 -8.939 6.800 -1.365
150 HB3 ALA 18 HB3 ALA 18 -7.603 7.672 -0.613
151 H ALA 19 HN ALA 19 -7.479 4.576 1.367
152 HA ALA 19 HA ALA 19 -5.228 5.483 2.713
153 HB1 ALA 19 HB1 ALA 19 -5.641 3.702 4.294
154 HB2 ALA 19 HB2 ALA 19 -6.663 2.872 3.120
155 HB3 ALA 19 HB3 ALA 19 -7.167 4.426 3.784
156 H TYR 20 HN TYR 20 -5.707 2.557 0.790
157 HA TYR 20 HA TYR 20 -3.170 1.433 1.118
158 HB2 TYR 20 HB2 TYR 20 -4.788 0.066 0.078
159 HB3 TYR 20 HB1 TYR 20 -5.189 1.300 -1.108
160 HD1 TYR 20 HD1 TYR 20 -4.244 1.227 -3.214
161 HD2 TYR 20 HD2 TYR 20 -2.391 -0.927 -0.062
162 HE1 TYR 20 HE1 TYR 20 -2.692 0.221 -4.832
163 HE2 TYR 20 HE2 TYR 20 -0.829 -1.948 -1.673
164 HH TYR 20 HH TYR 20 -0.500 -0.809 -4.877
165 H GLU 21 HN GLU 21 -4.354 3.812 -1.213
166 HA GLU 21 HA GLU 21 -1.983 4.014 -2.714
167 HB2 GLU 21 HB2 GLU 21 -4.152 6.064 -2.237
168 HB3 GLU 21 HB1 GLU 21 -2.876 6.232 -3.430
169 HG2 GLU 21 HG2 GLU 21 -3.709 4.162 -4.529
170 HG3 GLU 21 HG1 GLU 21 -5.051 4.152 -3.383
171 H LYS 22 HN LYS 22 -3.021 5.543 0.264
172 HA LYS 22 HA LYS 22 -0.920 7.456 0.368
173 HB2 LYS 22 HB2 LYS 22 -2.989 7.744 1.643
174 HB3 LYS 22 HB1 LYS 22 -2.620 6.307 2.586
175 HG2 LYS 22 HG2 LYS 22 -2.093 8.224 3.901
176 HG3 LYS 22 HG1 LYS 22 -0.581 7.451 3.426
177 HD2 LYS 22 HD2 LYS 22 -0.328 9.102 1.616
178 HD3 LYS 22 HD1 LYS 22 -1.822 9.884 2.135
179 HE2 LYS 22 HE2 LYS 22 0.725 9.620 3.734
180 HE3 LYS 22 HE1 LYS 22 0.090 11.091 3.001
181 HZ1 LYS 22 HZ1 LYS 22 -1.850 10.908 4.457
182 HZ2 LYS 22 HZ2 LYS 22 -0.416 11.046 5.337
183 HZ3 LYS 22 HZ3 LYS 22 -1.177 9.545 5.197
184 H GLU 23 HN GLU 23 -1.403 4.253 1.824
185 HA GLU 23 HA GLU 23 1.137 4.203 3.105
186 HB2 GLU 23 HB2 GLU 23 -0.738 1.956 2.334
187 HB3 GLU 23 HB1 GLU 23 0.712 1.743 3.311
188 HG2 GLU 23 HG2 GLU 23 -0.233 3.309 4.979
189 HG3 GLU 23 HG1 GLU 23 -1.717 3.379 4.018
190 H LEU 24 HN LEU 24 -0.018 3.369 -0.060
191 HA LEU 24 HA LEU 24 2.210 1.923 -0.994
192 HB2 LEU 24 HB2 LEU 24 0.009 2.104 -2.158
193 HB3 LEU 24 HB1 LEU 24 0.407 3.759 -2.579
194 HG LEU 24 HG LEU 24 2.375 2.926 -3.847
195 HD11 LEU 24 HD11 LEU 24 2.533 0.564 -4.389
196 HD12 LEU 24 HD12 LEU 24 1.164 0.214 -3.335
197 HD13 LEU 24 HD13 LEU 24 2.674 0.811 -2.648
198 HD21 LEU 24 HD21 LEU 24 1.093 2.112 -5.743
199 HD22 LEU 24 HD22 LEU 24 0.249 3.439 -4.943
200 HD23 LEU 24 HD23 LEU 24 -0.279 1.775 -4.688
201 H ALA 25 HN ALA 25 1.485 5.370 -0.890
202 HA ALA 25 HA ALA 25 3.709 6.298 -2.313
203 HB1 ALA 25 HB1 ALA 25 1.763 7.679 -1.746
204 HB2 ALA 25 HB2 ALA 25 3.275 8.437 -1.243
205 HB3 ALA 25 HB3 ALA 25 2.245 7.643 -0.051
206 H ALA 26 HN ALA 26 3.259 5.563 1.106
207 HA ALA 26 HA ALA 26 5.841 6.408 1.930
208 HB1 ALA 26 HB1 ALA 26 3.951 6.192 3.480
209 HB2 ALA 26 HB2 ALA 26 5.348 5.256 4.010
210 HB3 ALA 26 HB3 ALA 26 3.978 4.443 3.253
211 H TYR 27 HN TYR 27 4.467 3.347 0.882
212 HA TYR 27 HA TYR 27 6.744 1.759 1.403
213 HB2 TYR 27 HB2 TYR 27 4.662 0.640 1.103
214 HB3 TYR 27 HB1 TYR 27 4.410 1.391 -0.475
215 HD1 TYR 27 HD1 TYR 27 5.218 0.382 -2.424
216 HD2 TYR 27 HD2 TYR 27 6.537 -1.022 1.359
217 HE1 TYR 27 HE1 TYR 27 6.306 -1.529 -3.527
218 HE2 TYR 27 HE2 TYR 27 7.640 -2.941 0.274
219 HH TYR 27 HH TYR 27 7.449 -4.231 -1.807
220 H GLU 28 HN GLU 28 5.615 3.388 -1.561
221 HA GLU 28 HA GLU 28 7.653 2.394 -3.219
222 HB2 GLU 28 HB2 GLU 28 5.996 4.905 -3.466
223 HB3 GLU 28 HB1 GLU 28 7.094 4.335 -4.715
224 HG2 GLU 28 HG2 GLU 28 5.798 2.212 -4.805
225 HG3 GLU 28 HG1 GLU 28 4.632 2.925 -3.685
226 H LYS 29 HN LYS 29 7.662 4.921 -0.886
227 HA LYS 29 HA LYS 29 9.959 6.329 -1.690
228 HB2 LYS 29 HB2 LYS 29 8.480 7.108 0.117
229 HB3 LYS 29 HB1 LYS 29 8.946 5.726 1.099
230 HG2 LYS 29 HG2 LYS 29 11.315 6.578 0.966
231 HG3 LYS 29 HG1 LYS 29 10.654 8.057 0.268
232 HD2 LYS 29 HD2 LYS 29 10.993 8.325 2.657
233 HD3 LYS 29 HD1 LYS 29 9.270 8.367 2.284
234 HE2 LYS 29 HE2 LYS 29 8.967 6.141 3.077
235 HE3 LYS 29 HE1 LYS 29 10.707 5.880 3.196
236 HZ1 LYS 29 HZ1 LYS 29 9.114 7.771 4.836
237 HZ2 LYS 29 HZ2 LYS 29 10.784 7.556 4.944
238 HZ3 LYS 29 HZ3 LYS 29 9.744 6.293 5.359
239 H GLU 30 HN GLU 30 9.568 3.620 0.560
240 HA GLU 30 HA GLU 30 12.338 3.138 0.897
241 HB2 GLU 30 HB2 GLU 30 9.953 1.346 1.381
242 HB3 GLU 30 HB1 GLU 30 11.595 0.995 1.900
243 HG2 GLU 30 HG2 GLU 30 9.963 3.365 2.765
244 HG3 GLU 30 HG1 GLU 30 10.238 1.900 3.709
245 H LEU 31 HN LEU 31 9.922 1.980 -1.333
246 HA LEU 31 HA LEU 31 11.334 -0.169 -2.463
247 HB2 LEU 31 HB2 LEU 31 8.914 0.314 -2.824
248 HB3 LEU 31 HB1 LEU 31 9.371 1.668 -3.843
249 HG LEU 31 HG LEU 31 10.493 0.082 -5.384
250 HD11 LEU 31 HD11 LEU 31 10.041 -2.299 -5.159
251 HD12 LEU 31 HD12 LEU 31 9.215 -2.002 -3.629
252 HD13 LEU 31 HD13 LEU 31 10.943 -1.690 -3.772
253 HD21 LEU 31 HD21 LEU 31 7.581 -0.452 -4.823
254 HD22 LEU 31 HD22 LEU 31 8.424 -0.831 -6.324
255 HD23 LEU 31 HD23 LEU 31 8.230 0.848 -5.822
256 H ALA 32 HN ALA 32 11.304 3.272 -3.216
257 HA ALA 32 HA ALA 32 12.894 3.204 -5.515
258 HB1 ALA 32 HB1 ALA 32 13.272 5.561 -5.127
259 HB2 ALA 32 HB2 ALA 32 12.711 5.395 -3.462
260 HB3 ALA 32 HB3 ALA 32 11.590 5.149 -4.798
261 H ALA 33 HN ALA 33 13.734 3.328 -2.106
262 HA ALA 33 HA ALA 33 16.541 3.645 -2.559
263 HB1 ALA 33 HB1 ALA 33 16.744 3.297 -0.156
264 HB2 ALA 33 HB2 ALA 33 15.055 2.794 -0.081
265 HB3 ALA 33 HB3 ALA 33 15.464 4.452 -0.521
266 H TYR 34 HN TYR 34 14.343 0.996 -2.372
267 HA TYR 34 HA TYR 34 16.271 -1.035 -1.782
268 HB2 TYR 34 HB2 TYR 34 13.863 -1.293 -1.265
269 HB3 TYR 34 HB1 TYR 34 13.499 -1.257 -2.984
270 HD1 TYR 34 HD1 TYR 34 13.374 -3.245 -4.171
271 HD2 TYR 34 HD2 TYR 34 15.465 -3.176 -0.470
272 HE1 TYR 34 HE1 TYR 34 13.629 -5.689 -4.280
273 HE2 TYR 34 HE2 TYR 34 15.733 -5.623 -0.572
274 HH TYR 34 HH TYR 34 15.052 -7.429 -3.397
275 HN1 NH2 35 HN1 NH2 35 14.945 0.419 -4.651
276 HN2 NH2 35 HN2 NH2 35 15.915 -0.439 -5.792
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 15.803 -2.936 4.146
2 H2 ACE 0 HA2 ACE 0 14.369 -2.611 3.177
3 H3 ACE 0 HA3 ACE 0 15.777 -3.332 2.402
4 HA PRO 1 HA PRO 1 13.594 -4.311 1.027
5 HB2 PRO 1 HB2 PRO 1 12.540 -7.098 1.054
6 HB3 PRO 1 HB1 PRO 1 13.204 -6.165 -0.300
7 HG2 PRO 1 HG2 PRO 1 14.569 -8.150 0.806
8 HG3 PRO 1 HG1 PRO 1 15.369 -6.680 0.216
9 HD2 PRO 1 HD2 PRO 1 14.777 -7.504 3.021
10 HD3 PRO 1 HD1 PRO 1 16.169 -6.610 2.379
11 HA PRO 2 HA PRO 2 9.979 -3.811 3.646
12 HB2 PRO 2 HB2 PRO 2 8.786 -1.890 2.124
13 HB3 PRO 2 HB1 PRO 2 10.117 -1.549 3.241
14 HG2 PRO 2 HG2 PRO 2 10.140 -1.765 0.294
15 HG3 PRO 2 HG1 PRO 2 11.125 -0.760 1.369
16 HD2 PRO 2 HD2 PRO 2 11.966 -3.111 0.157
17 HD3 PRO 2 HD1 PRO 2 12.734 -2.349 1.562
18 H LYS 3 HN LYS 3 7.854 -4.494 3.564
19 HA LYS 3 HA LYS 3 7.157 -6.097 1.235
20 HB2 LYS 3 HB2 LYS 3 6.935 -7.081 3.492
21 HB3 LYS 3 HB1 LYS 3 5.781 -5.826 3.919
22 HG2 LYS 3 HG2 LYS 3 4.282 -6.657 2.133
23 HG3 LYS 3 HG1 LYS 3 5.420 -7.973 1.840
24 HD2 LYS 3 HD2 LYS 3 5.105 -8.789 4.104
25 HD3 LYS 3 HD1 LYS 3 4.036 -7.431 4.467
26 HE2 LYS 3 HE2 LYS 3 2.507 -8.218 2.688
27 HE3 LYS 3 HE1 LYS 3 3.551 -9.617 2.449
28 HZ1 LYS 3 HZ1 LYS 3 2.166 -8.946 4.987
29 HZ2 LYS 3 HZ2 LYS 3 3.095 -10.328 4.689
30 HZ3 LYS 3 HZ3 LYS 3 1.635 -10.099 3.870
31 H LYS 4 HN LYS 4 5.273 -5.773 0.016
32 HA LYS 4 HA LYS 4 4.382 -3.079 -0.213
33 HB2 LYS 4 HB2 LYS 4 4.492 -4.716 -2.114
34 HB3 LYS 4 HB1 LYS 4 3.136 -5.579 -1.388
35 HG2 LYS 4 HG2 LYS 4 1.825 -3.430 -1.581
36 HG3 LYS 4 HG1 LYS 4 3.152 -2.813 -2.569
37 HD2 LYS 4 HD2 LYS 4 1.503 -3.665 -4.053
38 HD3 LYS 4 HD1 LYS 4 2.846 -4.809 -4.055
39 HE2 LYS 4 HE2 LYS 4 0.715 -5.989 -3.964
40 HE3 LYS 4 HE1 LYS 4 1.619 -6.238 -2.473
41 HZ1 LYS 4 HZ1 LYS 4 0.247 -4.659 -1.352
42 HZ2 LYS 4 HZ2 LYS 4 -0.770 -5.753 -2.141
43 HZ3 LYS 4 HZ3 LYS 4 -0.526 -4.208 -2.793
44 HA PRO 5 HA PRO 5 1.360 -2.990 3.010
45 HB2 PRO 5 HB2 PRO 5 -0.449 -1.267 1.782
46 HB3 PRO 5 HB1 PRO 5 0.974 -0.770 2.720
47 HG2 PRO 5 HG2 PRO 5 0.645 -1.010 -0.222
48 HG3 PRO 5 HG1 PRO 5 1.509 0.218 0.724
49 HD2 PRO 5 HD2 PRO 5 2.851 -1.709 -0.535
50 HD3 PRO 5 HD1 PRO 5 3.346 -1.154 1.080
51 H LYS 6 HN LYS 6 -0.742 -3.552 3.527
52 HA LYS 6 HA LYS 6 -1.757 -5.832 2.329
53 HB2 LYS 6 HB2 LYS 6 -3.785 -5.356 3.762
54 HB3 LYS 6 HB1 LYS 6 -2.244 -5.367 4.613
55 HG2 LYS 6 HG2 LYS 6 -2.202 -2.888 4.453
56 HG3 LYS 6 HG1 LYS 6 -3.817 -2.950 3.753
57 HD2 LYS 6 HD2 LYS 6 -4.740 -3.838 5.750
58 HD3 LYS 6 HD1 LYS 6 -3.140 -4.142 6.431
59 HE2 LYS 6 HE2 LYS 6 -4.250 -2.142 7.387
60 HE3 LYS 6 HE1 LYS 6 -2.709 -1.784 6.616
61 HZ1 LYS 6 HZ1 LYS 6 -5.358 -1.391 5.336
62 HZ2 LYS 6 HZ2 LYS 6 -3.855 -0.938 4.707
63 HZ3 LYS 6 HZ3 LYS 6 -4.461 -0.169 6.081
64 H LYS 7 HN LYS 7 -2.918 -6.183 0.581
65 HA LYS 7 HA LYS 7 -4.154 -3.987 -0.848
66 HB2 LYS 7 HB2 LYS 7 -2.959 -5.611 -2.192
67 HB3 LYS 7 HB1 LYS 7 -3.873 -6.935 -1.481
68 HG2 LYS 7 HG2 LYS 7 -5.914 -6.100 -2.525
69 HG3 LYS 7 HG1 LYS 7 -5.001 -4.773 -3.252
70 HD2 LYS 7 HD2 LYS 7 -4.398 -7.693 -3.732
71 HD3 LYS 7 HD1 LYS 7 -5.435 -6.721 -4.778
72 HE2 LYS 7 HE2 LYS 7 -2.534 -6.140 -4.160
73 HE3 LYS 7 HE1 LYS 7 -3.134 -6.891 -5.637
74 HZ1 LYS 7 HZ1 LYS 7 -3.867 -4.168 -4.706
75 HZ2 LYS 7 HZ2 LYS 7 -4.345 -4.892 -6.153
76 HZ3 LYS 7 HZ3 LYS 7 -2.721 -4.509 -5.900
77 HA PRO 8 HA PRO 8 -8.063 -4.717 1.274
78 HB2 PRO 8 HB2 PRO 8 -8.978 -2.775 -0.771
79 HB3 PRO 8 HB1 PRO 8 -9.119 -2.697 0.994
80 HG2 PRO 8 HG2 PRO 8 -7.426 -1.133 -0.311
81 HG3 PRO 8 HG1 PRO 8 -7.023 -1.831 1.272
82 HD2 PRO 8 HD2 PRO 8 -6.096 -2.660 -1.443
83 HD3 PRO 8 HD1 PRO 8 -5.202 -2.589 0.094
84 H GLY 9 HN GLY 9 -9.773 -6.007 0.813
85 HA2 GLY 9 HA2 GLY 9 -9.782 -7.436 -1.672
86 HA3 GLY 9 HA1 GLY 9 -10.906 -7.652 -0.339
87 H ASP 10 HN ASP 10 -12.200 -7.884 -2.528
88 HA ASP 10 HA ASP 10 -12.835 -5.539 -3.983
89 HB2 ASP 10 HB2 ASP 10 -13.206 -7.780 -4.913
90 HB3 ASP 10 HB1 ASP 10 -14.442 -8.088 -3.697
91 H ASN 11 HN ASN 11 -14.025 -6.850 -1.011
92 HA ASN 11 HA ASN 11 -16.488 -5.367 -1.033
93 HB2 ASN 11 HB2 ASN 11 -16.873 -6.228 1.180
94 HB3 ASN 11 HB1 ASN 11 -16.249 -7.533 0.181
95 HD21 ASN 11 HD21 ASN 11 -16.242 -7.233 3.071
96 HD22 ASN 11 HD22 ASN 11 -14.584 -7.321 3.564
97 H ALA 12 HN ALA 12 -13.329 -4.478 -0.502
98 HA ALA 12 HA ALA 12 -13.768 -2.582 1.604
99 HB1 ALA 12 HB1 ALA 12 -11.498 -1.811 1.106
100 HB2 ALA 12 HB2 ALA 12 -11.456 -2.864 -0.309
101 HB3 ALA 12 HB3 ALA 12 -11.570 -3.560 1.307
102 H THR 13 HN THR 13 -13.923 -0.378 1.445
103 HA THR 13 HA THR 13 -15.324 0.570 -0.864
104 HB THR 13 HB THR 13 -15.373 2.728 0.416
105 HG1 THR 13 HG1 THR 13 -14.610 2.598 2.608
106 HG21 THR 13 HG21 THR 13 -16.260 0.277 1.936
107 HG22 THR 13 HG22 THR 13 -17.157 1.071 0.643
108 HG23 THR 13 HG23 THR 13 -16.871 1.916 2.164
109 HA PRO 14 HA PRO 14 -12.052 2.612 -3.154
110 HB2 PRO 14 HB2 PRO 14 -13.797 5.034 -2.960
111 HB3 PRO 14 HB1 PRO 14 -13.032 4.313 -4.392
112 HG2 PRO 14 HG2 PRO 14 -15.596 3.981 -4.006
113 HG3 PRO 14 HG1 PRO 14 -14.593 2.615 -4.541
114 HD2 PRO 14 HD2 PRO 14 -15.696 3.176 -1.813
115 HD3 PRO 14 HD1 PRO 14 -15.544 1.629 -2.669
116 H GLU 15 HN GLU 15 -13.501 4.193 -0.365
117 HA GLU 15 HA GLU 15 -11.443 6.034 0.172
118 HB2 GLU 15 HB2 GLU 15 -13.655 6.199 1.210
119 HB3 GLU 15 HB1 GLU 15 -13.376 4.692 2.069
120 HG2 GLU 15 HG2 GLU 15 -11.532 5.734 3.285
121 HG3 GLU 15 HG1 GLU 15 -11.840 7.246 2.439
122 H LYS 16 HN LYS 16 -11.855 2.642 0.947
123 HA LYS 16 HA LYS 16 -9.662 2.483 2.763
124 HB2 LYS 16 HB2 LYS 16 -11.507 0.854 2.782
125 HB3 LYS 16 HB1 LYS 16 -11.052 0.315 1.170
126 HG2 LYS 16 HG2 LYS 16 -10.251 -1.263 2.792
127 HG3 LYS 16 HG1 LYS 16 -8.875 -0.424 2.077
128 HD2 LYS 16 HD2 LYS 16 -8.611 -0.668 4.496
129 HD3 LYS 16 HD1 LYS 16 -8.729 1.029 4.032
130 HE2 LYS 16 HE2 LYS 16 -11.016 1.126 4.757
131 HE3 LYS 16 HE1 LYS 16 -11.048 -0.613 5.047
132 HZ1 LYS 16 HZ1 LYS 16 -9.348 1.336 6.504
133 HZ2 LYS 16 HZ2 LYS 16 -9.435 -0.327 6.804
134 HZ3 LYS 16 HZ3 LYS 16 -10.779 0.656 7.094
135 H LEU 17 HN LEU 17 -10.113 2.097 -0.684
136 HA LEU 17 HA LEU 17 -7.524 1.162 -1.293
137 HB2 LEU 17 HB2 LEU 17 -9.721 2.428 -2.832
138 HB3 LEU 17 HB1 LEU 17 -8.116 2.490 -3.531
139 HG LEU 17 HG LEU 17 -9.321 0.607 -4.433
140 HD11 LEU 17 HD11 LEU 17 -7.230 -0.332 -2.475
141 HD12 LEU 17 HD12 LEU 17 -6.914 0.353 -4.070
142 HD13 LEU 17 HD13 LEU 17 -7.767 -1.182 -3.923
143 HD21 LEU 17 HD21 LEU 17 -9.609 -0.360 -1.593
144 HD22 LEU 17 HD22 LEU 17 -10.099 -1.231 -3.045
145 HD23 LEU 17 HD23 LEU 17 -10.905 0.274 -2.605
146 H ALA 18 HN ALA 18 -8.865 4.384 -0.869
147 HA ALA 18 HA ALA 18 -6.649 5.869 -1.709
148 HB1 ALA 18 HB1 ALA 18 -7.585 7.693 -0.412
149 HB2 ALA 18 HB2 ALA 18 -8.620 6.564 0.461
150 HB3 ALA 18 HB3 ALA 18 -8.867 6.832 -1.264
151 H ALA 19 HN ALA 19 -7.476 4.436 1.396
152 HA ALA 19 HA ALA 19 -5.266 5.342 2.865
153 HB1 ALA 19 HB1 ALA 19 -6.796 2.771 3.195
154 HB2 ALA 19 HB2 ALA 19 -7.253 4.330 3.882
155 HB3 ALA 19 HB3 ALA 19 -5.767 3.537 4.407
156 H TYR 20 HN TYR 20 -5.762 2.449 0.892
157 HA TYR 20 HA TYR 20 -3.261 1.258 1.352
158 HB2 TYR 20 HB2 TYR 20 -4.997 -0.045 0.327
159 HB3 TYR 20 HB1 TYR 20 -5.131 1.090 -1.009
160 HD1 TYR 20 HD1 TYR 20 -3.981 0.675 -2.985
161 HD2 TYR 20 HD2 TYR 20 -2.693 -1.224 0.590
162 HE1 TYR 20 HE1 TYR 20 -2.365 -0.659 -4.283
163 HE2 TYR 20 HE2 TYR 20 -1.077 -2.562 -0.692
164 HH TYR 20 HH TYR 20 -0.326 -1.895 -3.974
165 H GLU 21 HN GLU 21 -4.345 3.536 -1.136
166 HA GLU 21 HA GLU 21 -1.967 3.629 -2.608
167 HB2 GLU 21 HB2 GLU 21 -4.013 5.808 -2.149
168 HB3 GLU 21 HB1 GLU 21 -2.738 5.886 -3.349
169 HG2 GLU 21 HG2 GLU 21 -3.705 3.872 -4.438
170 HG3 GLU 21 HG1 GLU 21 -5.035 3.939 -3.278
171 H LYS 22 HN LYS 22 -2.925 5.239 0.345
172 HA LYS 22 HA LYS 22 -0.799 7.107 0.430
173 HB2 LYS 22 HB2 LYS 22 -2.906 7.293 1.739
174 HB3 LYS 22 HB1 LYS 22 -2.375 5.944 2.731
175 HG2 LYS 22 HG2 LYS 22 -1.980 8.021 3.880
176 HG3 LYS 22 HG1 LYS 22 -0.440 7.269 3.463
177 HD2 LYS 22 HD2 LYS 22 -0.128 8.780 1.627
178 HD3 LYS 22 HD1 LYS 22 -1.761 9.422 1.814
179 HE2 LYS 22 HE2 LYS 22 0.468 9.674 3.834
180 HE3 LYS 22 HE1 LYS 22 -0.061 10.940 2.727
181 HZ1 LYS 22 HZ1 LYS 22 -2.245 10.884 3.779
182 HZ2 LYS 22 HZ2 LYS 22 -1.035 11.238 4.905
183 HZ3 LYS 22 HZ3 LYS 22 -1.715 9.691 4.858
184 H GLU 23 HN GLU 23 -1.278 3.906 1.898
185 HA GLU 23 HA GLU 23 1.305 3.806 3.081
186 HB2 GLU 23 HB2 GLU 23 -0.647 1.602 2.381
187 HB3 GLU 23 HB1 GLU 23 0.847 1.342 3.276
188 HG2 GLU 23 HG2 GLU 23 0.017 2.933 4.999
189 HG3 GLU 23 HG1 GLU 23 -1.518 2.998 4.125
190 H LEU 24 HN LEU 24 -0.015 2.895 -0.011
191 HA LEU 24 HA LEU 24 2.172 1.414 -0.998
192 HB2 LEU 24 HB2 LEU 24 -0.126 1.516 -2.000
193 HB3 LEU 24 HB1 LEU 24 0.249 3.128 -2.578
194 HG LEU 24 HG LEU 24 2.095 2.199 -3.935
195 HD11 LEU 24 HD11 LEU 24 2.262 -0.205 -4.261
196 HD12 LEU 24 HD12 LEU 24 1.010 -0.471 -3.049
197 HD13 LEU 24 HD13 LEU 24 2.562 0.222 -2.578
198 HD21 LEU 24 HD21 LEU 24 0.688 1.199 -5.635
199 HD22 LEU 24 HD22 LEU 24 -0.145 2.558 -4.880
200 HD23 LEU 24 HD23 LEU 24 -0.580 0.905 -4.445
201 H ALA 25 HN ALA 25 1.405 4.849 -1.013
202 HA ALA 25 HA ALA 25 3.531 5.741 -2.606
203 HB1 ALA 25 HB1 ALA 25 1.619 7.137 -1.985
204 HB2 ALA 25 HB2 ALA 25 3.149 7.914 -1.576
205 HB3 ALA 25 HB3 ALA 25 2.180 7.152 -0.313
206 H ALA 26 HN ALA 26 3.281 5.143 0.864
207 HA ALA 26 HA ALA 26 5.877 6.004 1.553
208 HB1 ALA 26 HB1 ALA 26 4.110 5.688 3.213
209 HB2 ALA 26 HB2 ALA 26 5.547 4.751 3.621
210 HB3 ALA 26 HB3 ALA 26 4.140 3.952 2.916
211 H TYR 27 HN TYR 27 4.548 2.905 0.557
212 HA TYR 27 HA TYR 27 6.883 1.378 0.909
213 HB2 TYR 27 HB2 TYR 27 4.798 0.236 0.669
214 HB3 TYR 27 HB1 TYR 27 4.492 0.994 -0.894
215 HD1 TYR 27 HD1 TYR 27 6.721 -1.382 0.861
216 HD2 TYR 27 HD2 TYR 27 5.237 -0.019 -2.875
217 HE1 TYR 27 HE1 TYR 27 7.812 -3.287 -0.256
218 HE2 TYR 27 HE2 TYR 27 6.311 -1.921 -4.008
219 HH TYR 27 HH TYR 27 7.524 -4.605 -2.352
220 H GLU 28 HN GLU 28 5.542 2.961 -1.991
221 HA GLU 28 HA GLU 28 7.632 2.194 -3.710
222 HB2 GLU 28 HB2 GLU 28 5.758 4.566 -3.850
223 HB3 GLU 28 HB1 GLU 28 6.861 4.113 -5.140
224 HG2 GLU 28 HG2 GLU 28 5.729 1.938 -5.328
225 HG3 GLU 28 HG1 GLU 28 4.592 2.433 -4.070
226 H LYS 29 HN LYS 29 7.306 4.808 -1.433
227 HA LYS 29 HA LYS 29 9.521 6.344 -2.262
228 HB2 LYS 29 HB2 LYS 29 7.737 7.125 -0.704
229 HB3 LYS 29 HB1 LYS 29 8.387 6.053 0.527
230 HG2 LYS 29 HG2 LYS 29 9.149 8.297 0.931
231 HG3 LYS 29 HG1 LYS 29 10.513 7.288 0.448
232 HD2 LYS 29 HD2 LYS 29 10.805 9.289 -0.745
233 HD3 LYS 29 HD1 LYS 29 10.111 8.174 -1.917
234 HE2 LYS 29 HE2 LYS 29 8.485 10.157 -0.338
235 HE3 LYS 29 HE1 LYS 29 9.163 10.506 -1.922
236 HZ1 LYS 29 HZ1 LYS 29 7.892 8.500 -2.718
237 HZ2 LYS 29 HZ2 LYS 29 6.963 9.839 -2.282
238 HZ3 LYS 29 HZ3 LYS 29 7.076 8.522 -1.236
239 H GLU 30 HN GLU 30 9.183 3.854 0.258
240 HA GLU 30 HA GLU 30 11.926 3.786 0.964
241 HB2 GLU 30 HB2 GLU 30 10.052 2.893 2.366
242 HB3 GLU 30 HB1 GLU 30 9.899 1.555 1.236
243 HG2 GLU 30 HG2 GLU 30 11.146 0.828 3.130
244 HG3 GLU 30 HG1 GLU 30 12.234 0.925 1.748
245 H LEU 31 HN LEU 31 10.003 2.126 -1.432
246 HA LEU 31 HA LEU 31 11.871 0.177 -2.229
247 HB2 LEU 31 HB2 LEU 31 9.421 0.265 -2.822
248 HB3 LEU 31 HB1 LEU 31 9.806 1.536 -3.967
249 HG LEU 31 HG LEU 31 11.277 -0.048 -5.180
250 HD11 LEU 31 HD11 LEU 31 11.090 -2.434 -4.680
251 HD12 LEU 31 HD12 LEU 31 10.117 -2.056 -3.257
252 HD13 LEU 31 HD13 LEU 31 11.803 -1.543 -3.336
253 HD21 LEU 31 HD21 LEU 31 8.988 0.333 -5.900
254 HD22 LEU 31 HD22 LEU 31 8.419 -0.918 -4.795
255 HD23 LEU 31 HD23 LEU 31 9.449 -1.350 -6.161
256 H ALA 32 HN ALA 32 11.391 3.528 -3.165
257 HA ALA 32 HA ALA 32 13.197 3.599 -5.320
258 HB1 ALA 32 HB1 ALA 32 11.538 5.331 -4.940
259 HB2 ALA 32 HB2 ALA 32 13.157 6.020 -5.025
260 HB3 ALA 32 HB3 ALA 32 12.365 5.815 -3.463
261 H ALA 33 HN ALA 33 13.643 3.749 -1.872
262 HA ALA 33 HA ALA 33 16.383 4.639 -2.057
263 HB1 ALA 33 HB1 ALA 33 14.810 3.626 0.301
264 HB2 ALA 33 HB2 ALA 33 14.986 5.313 -0.175
265 HB3 ALA 33 HB3 ALA 33 16.394 4.400 0.369
266 H TYR 34 HN TYR 34 14.742 1.685 -2.305
267 HA TYR 34 HA TYR 34 16.895 0.056 -1.265
268 HB2 TYR 34 HB2 TYR 34 14.553 -0.661 -0.965
269 HB3 TYR 34 HB1 TYR 34 14.355 -0.738 -2.713
270 HD1 TYR 34 HD1 TYR 34 16.453 -2.140 0.027
271 HD2 TYR 34 HD2 TYR 34 14.717 -2.751 -3.805
272 HE1 TYR 34 HE1 TYR 34 17.247 -4.470 0.047
273 HE2 TYR 34 HE2 TYR 34 15.502 -5.083 -3.796
274 HH TYR 34 HH TYR 34 16.795 -6.583 -0.982
275 HN1 NH2 35 HN1 NH2 35 18.670 0.015 -2.458
276 HN2 NH2 35 HN2 NH2 35 18.742 -0.268 -4.163
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 12.822 -1.952 3.901
2 H2 ACE 0 HA2 ACE 0 14.231 -1.121 4.554
3 H3 ACE 0 HA3 ACE 0 13.323 -2.213 5.598
4 HA PRO 1 HA PRO 1 13.223 -4.844 2.333
5 HB2 PRO 1 HB2 PRO 1 11.987 -6.620 4.341
6 HB3 PRO 1 HB1 PRO 1 12.870 -7.053 2.866
7 HG2 PRO 1 HG2 PRO 1 13.896 -7.491 5.283
8 HG3 PRO 1 HG1 PRO 1 14.907 -7.021 3.902
9 HD2 PRO 1 HD2 PRO 1 13.904 -5.315 6.157
10 HD3 PRO 1 HD1 PRO 1 15.516 -5.353 5.409
11 HA PRO 2 HA PRO 2 9.774 -2.298 3.755
12 HB2 PRO 2 HB2 PRO 2 8.992 -1.487 1.284
13 HB3 PRO 2 HB1 PRO 2 10.354 -0.752 2.148
14 HG2 PRO 2 HG2 PRO 2 10.363 -2.677 -0.095
15 HG3 PRO 2 HG1 PRO 2 11.496 -1.367 0.282
16 HD2 PRO 2 HD2 PRO 2 11.937 -4.060 0.791
17 HD3 PRO 2 HD1 PRO 2 12.803 -2.718 1.563
18 H LYS 3 HN LYS 3 7.734 -2.912 4.100
19 HA LYS 3 HA LYS 3 6.835 -5.418 3.003
20 HB2 LYS 3 HB2 LYS 3 6.454 -4.923 5.358
21 HB3 LYS 3 HB1 LYS 3 5.533 -3.490 4.933
22 HG2 LYS 3 HG2 LYS 3 3.811 -4.865 3.919
23 HG3 LYS 3 HG1 LYS 3 4.746 -6.317 4.265
24 HD2 LYS 3 HD2 LYS 3 3.959 -4.461 6.477
25 HD3 LYS 3 HD1 LYS 3 2.805 -5.633 5.848
26 HE2 LYS 3 HE2 LYS 3 3.901 -6.582 7.760
27 HE3 LYS 3 HE1 LYS 3 4.441 -7.432 6.318
28 HZ1 LYS 3 HZ1 LYS 3 6.239 -6.919 7.897
29 HZ2 LYS 3 HZ2 LYS 3 5.971 -5.267 7.654
30 HZ3 LYS 3 HZ3 LYS 3 6.496 -6.238 6.372
31 H LYS 4 HN LYS 4 5.559 -5.684 1.306
32 HA LYS 4 HA LYS 4 4.368 -3.373 0.012
33 HB2 LYS 4 HB2 LYS 4 5.529 -5.070 -1.356
34 HB3 LYS 4 HB1 LYS 4 4.412 -6.304 -0.780
35 HG2 LYS 4 HG2 LYS 4 2.564 -5.173 -1.893
36 HG3 LYS 4 HG1 LYS 4 3.662 -3.905 -2.445
37 HD2 LYS 4 HD2 LYS 4 4.902 -5.486 -3.775
38 HD3 LYS 4 HD1 LYS 4 3.957 -6.830 -3.129
39 HE2 LYS 4 HE2 LYS 4 3.156 -6.288 -5.339
40 HE3 LYS 4 HE1 LYS 4 1.927 -5.839 -4.157
41 HZ1 LYS 4 HZ1 LYS 4 2.189 -4.129 -5.823
42 HZ2 LYS 4 HZ2 LYS 4 3.835 -3.977 -5.472
43 HZ3 LYS 4 HZ3 LYS 4 2.680 -3.540 -4.317
44 HA PRO 5 HA PRO 5 0.536 -4.265 2.155
45 HB2 PRO 5 HB2 PRO 5 -0.850 -2.131 1.240
46 HB3 PRO 5 HB1 PRO 5 0.390 -1.987 2.500
47 HG2 PRO 5 HG2 PRO 5 0.569 -1.358 -0.398
48 HG3 PRO 5 HG1 PRO 5 1.243 -0.488 0.993
49 HD2 PRO 5 HD2 PRO 5 2.711 -2.162 -0.598
50 HD3 PRO 5 HD1 PRO 5 3.091 -1.818 1.101
51 H LYS 6 HN LYS 6 -1.487 -5.052 1.611
52 HA LYS 6 HA LYS 6 -1.657 -6.128 -1.065
53 HB2 LYS 6 HB2 LYS 6 -3.455 -6.480 1.340
54 HB3 LYS 6 HB1 LYS 6 -3.571 -7.398 -0.157
55 HG2 LYS 6 HG2 LYS 6 -1.389 -8.367 0.229
56 HG3 LYS 6 HG1 LYS 6 -1.180 -7.378 1.674
57 HD2 LYS 6 HD2 LYS 6 -3.103 -8.489 2.706
58 HD3 LYS 6 HD1 LYS 6 -3.297 -9.489 1.265
59 HE2 LYS 6 HE2 LYS 6 -1.063 -10.426 1.620
60 HE3 LYS 6 HE1 LYS 6 -0.873 -9.429 3.060
61 HZ1 LYS 6 HZ1 LYS 6 -2.690 -10.598 4.099
62 HZ2 LYS 6 HZ2 LYS 6 -1.531 -11.711 3.578
63 HZ3 LYS 6 HZ3 LYS 6 -2.960 -11.511 2.700
64 H LYS 7 HN LYS 7 -2.869 -5.366 -2.651
65 HA LYS 7 HA LYS 7 -4.351 -2.950 -2.400
66 HB2 LYS 7 HB2 LYS 7 -3.175 -3.670 -4.493
67 HB3 LYS 7 HB1 LYS 7 -4.354 -4.959 -4.673
68 HG2 LYS 7 HG2 LYS 7 -6.140 -3.303 -4.921
69 HG3 LYS 7 HG1 LYS 7 -4.950 -2.001 -4.740
70 HD2 LYS 7 HD2 LYS 7 -3.794 -2.745 -6.740
71 HD3 LYS 7 HD1 LYS 7 -4.898 -4.111 -6.904
72 HE2 LYS 7 HE2 LYS 7 -5.579 -2.407 -8.443
73 HE3 LYS 7 HE1 LYS 7 -6.770 -2.486 -7.153
74 HZ1 LYS 7 HZ1 LYS 7 -5.695 -0.549 -6.133
75 HZ2 LYS 7 HZ2 LYS 7 -6.263 -0.214 -7.686
76 HZ3 LYS 7 HZ3 LYS 7 -4.613 -0.468 -7.429
77 HA PRO 8 HA PRO 8 -7.943 -4.776 -0.492
78 HB2 PRO 8 HB2 PRO 8 -9.162 -2.307 -1.652
79 HB3 PRO 8 HB1 PRO 8 -9.278 -2.953 -0.005
80 HG2 PRO 8 HG2 PRO 8 -7.724 -0.888 -0.528
81 HG3 PRO 8 HG1 PRO 8 -7.219 -2.153 0.608
82 HD2 PRO 8 HD2 PRO 8 -6.290 -1.636 -2.165
83 HD3 PRO 8 HD1 PRO 8 -5.400 -2.287 -0.769
84 H GLY 9 HN GLY 9 -9.001 -6.393 -1.388
85 HA2 GLY 9 HA2 GLY 9 -10.179 -6.006 -4.064
86 HA3 GLY 9 HA1 GLY 9 -9.683 -7.563 -3.416
87 H ASP 10 HN ASP 10 -10.745 -7.666 -0.983
88 HA ASP 10 HA ASP 10 -13.623 -7.619 -1.484
89 HB2 ASP 10 HB2 ASP 10 -13.780 -9.088 0.482
90 HB3 ASP 10 HB1 ASP 10 -12.640 -9.736 -0.693
91 H ASN 11 HN ASN 11 -15.071 -6.493 -0.154
92 HA ASN 11 HA ASN 11 -15.774 -4.666 1.040
93 HB2 ASN 11 HB2 ASN 11 -13.571 -5.690 2.836
94 HB3 ASN 11 HB1 ASN 11 -14.642 -4.373 3.297
95 HD21 ASN 11 HD21 ASN 11 -16.801 -4.828 3.788
96 HD22 ASN 11 HD22 ASN 11 -17.360 -6.445 4.054
97 H ALA 12 HN ALA 12 -14.118 -4.034 -1.070
98 HA ALA 12 HA ALA 12 -12.027 -2.266 -0.113
99 HB1 ALA 12 HB1 ALA 12 -11.620 -3.796 -2.009
100 HB2 ALA 12 HB2 ALA 12 -11.326 -2.104 -2.399
101 HB3 ALA 12 HB3 ALA 12 -12.802 -2.890 -2.956
102 H THR 13 HN THR 13 -13.346 -0.695 0.878
103 HA THR 13 HA THR 13 -15.043 0.958 -0.768
104 HB THR 13 HB THR 13 -15.099 2.392 1.324
105 HG1 THR 13 HG1 THR 13 -14.240 1.466 3.201
106 HG21 THR 13 HG21 THR 13 -16.576 0.872 2.513
107 HG22 THR 13 HG22 THR 13 -15.916 -0.495 1.615
108 HG23 THR 13 HG23 THR 13 -16.838 0.751 0.773
109 HA PRO 14 HA PRO 14 -12.092 3.903 -2.256
110 HB2 PRO 14 HB2 PRO 14 -13.859 5.992 -1.056
111 HB3 PRO 14 HB1 PRO 14 -13.220 5.875 -2.707
112 HG2 PRO 14 HG2 PRO 14 -15.733 5.291 -2.249
113 HG3 PRO 14 HG1 PRO 14 -14.762 4.276 -3.341
114 HD2 PRO 14 HD2 PRO 14 -15.603 3.729 -0.517
115 HD3 PRO 14 HD1 PRO 14 -15.493 2.617 -1.896
116 H GLU 15 HN GLU 15 -13.300 4.378 1.037
117 HA GLU 15 HA GLU 15 -11.169 5.951 1.994
118 HB2 GLU 15 HB2 GLU 15 -13.221 5.739 3.277
119 HB3 GLU 15 HB1 GLU 15 -12.964 4.010 3.459
120 HG2 GLU 15 HG2 GLU 15 -10.878 4.521 4.713
121 HG3 GLU 15 HG1 GLU 15 -11.319 6.221 4.649
122 H LYS 16 HN LYS 16 -11.614 2.468 1.735
123 HA LYS 16 HA LYS 16 -9.262 1.810 3.209
124 HB2 LYS 16 HB2 LYS 16 -11.326 0.349 2.876
125 HB3 LYS 16 HB1 LYS 16 -10.718 0.030 1.255
126 HG2 LYS 16 HG2 LYS 16 -10.090 -1.783 2.687
127 HG3 LYS 16 HG1 LYS 16 -8.637 -0.865 2.280
128 HD2 LYS 16 HD2 LYS 16 -8.637 0.215 4.418
129 HD3 LYS 16 HD1 LYS 16 -10.216 -0.462 4.817
130 HE2 LYS 16 HE2 LYS 16 -8.442 -1.658 5.973
131 HE3 LYS 16 HE1 LYS 16 -9.251 -2.710 4.816
132 HZ1 LYS 16 HZ1 LYS 16 -6.849 -2.965 4.759
133 HZ2 LYS 16 HZ2 LYS 16 -6.661 -1.334 4.364
134 HZ3 LYS 16 HZ3 LYS 16 -7.430 -2.384 3.282
135 H LEU 17 HN LEU 17 -10.110 2.210 -0.174
136 HA LEU 17 HA LEU 17 -7.618 1.424 -1.241
137 HB2 LEU 17 HB2 LEU 17 -9.909 3.033 -2.251
138 HB3 LEU 17 HB1 LEU 17 -8.382 3.143 -3.105
139 HG LEU 17 HG LEU 17 -9.732 1.528 -4.222
140 HD11 LEU 17 HD11 LEU 17 -8.360 -0.460 -4.105
141 HD12 LEU 17 HD12 LEU 17 -7.700 0.060 -2.555
142 HD13 LEU 17 HD13 LEU 17 -7.356 0.986 -4.015
143 HD21 LEU 17 HD21 LEU 17 -10.015 0.059 -1.609
144 HD22 LEU 17 HD22 LEU 17 -10.701 -0.398 -3.168
145 HD23 LEU 17 HD23 LEU 17 -11.264 1.061 -2.353
146 H ALA 18 HN ALA 18 -8.853 4.509 -0.062
147 HA ALA 18 HA ALA 18 -6.692 6.115 -0.825
148 HB1 ALA 18 HB1 ALA 18 -8.440 6.403 1.608
149 HB2 ALA 18 HB2 ALA 18 -8.835 6.990 -0.006
150 HB3 ALA 18 HB3 ALA 18 -7.463 7.671 0.868
151 H ALA 19 HN ALA 19 -7.295 4.201 2.068
152 HA ALA 19 HA ALA 19 -4.955 4.781 3.476
153 HB1 ALA 19 HB1 ALA 19 -6.509 2.202 3.416
154 HB2 ALA 19 HB2 ALA 19 -6.852 3.589 4.450
155 HB3 ALA 19 HB3 ALA 19 -5.352 2.685 4.653
156 H TYR 20 HN TYR 20 -5.669 2.188 1.165
157 HA TYR 20 HA TYR 20 -3.140 0.992 1.213
158 HB2 TYR 20 HB2 TYR 20 -4.938 -0.230 0.234
159 HB3 TYR 20 HB1 TYR 20 -5.268 1.057 -0.918
160 HD1 TYR 20 HD1 TYR 20 -4.396 0.921 -3.050
161 HD2 TYR 20 HD2 TYR 20 -2.561 -1.314 0.058
162 HE1 TYR 20 HE1 TYR 20 -2.923 -0.147 -4.700
163 HE2 TYR 20 HE2 TYR 20 -1.079 -2.395 -1.587
164 HH TYR 20 HH TYR 20 -0.858 -1.297 -4.853
165 H GLU 21 HN GLU 21 -4.470 3.468 -0.971
166 HA GLU 21 HA GLU 21 -2.197 3.681 -2.596
167 HB2 GLU 21 HB2 GLU 21 -4.355 5.686 -1.947
168 HB3 GLU 21 HB1 GLU 21 -3.090 5.993 -3.123
169 HG2 GLU 21 HG2 GLU 21 -3.871 3.910 -4.326
170 HG3 GLU 21 HG1 GLU 21 -5.263 3.922 -3.242
171 H LYS 22 HN LYS 22 -2.980 5.144 0.490
172 HA LYS 22 HA LYS 22 -0.823 6.994 0.479
173 HB2 LYS 22 HB2 LYS 22 -2.765 7.299 1.935
174 HB3 LYS 22 HB1 LYS 22 -2.367 5.820 2.798
175 HG2 LYS 22 HG2 LYS 22 -1.698 7.795 4.051
176 HG3 LYS 22 HG1 LYS 22 -0.303 6.822 3.596
177 HD2 LYS 22 HD2 LYS 22 0.095 8.345 1.690
178 HD3 LYS 22 HD1 LYS 22 -1.259 9.338 2.232
179 HE2 LYS 22 HE2 LYS 22 1.261 8.772 3.791
180 HE3 LYS 22 HE1 LYS 22 0.878 10.272 2.952
181 HZ1 LYS 22 HZ1 LYS 22 -1.095 10.454 4.424
182 HZ2 LYS 22 HZ2 LYS 22 0.382 10.561 5.234
183 HZ3 LYS 22 HZ3 LYS 22 -0.515 9.130 5.308
184 H GLU 23 HN GLU 23 -1.272 3.737 1.782
185 HA GLU 23 HA GLU 23 1.350 3.527 2.869
186 HB2 GLU 23 HB2 GLU 23 -0.640 1.393 2.070
187 HB3 GLU 23 HB1 GLU 23 0.844 1.084 2.962
188 HG2 GLU 23 HG2 GLU 23 -1.404 2.854 3.911
189 HG3 GLU 23 HG1 GLU 23 -1.152 1.173 4.396
190 H LEU 24 HN LEU 24 -0.107 2.842 -0.215
191 HA LEU 24 HA LEU 24 2.015 1.427 -1.419
192 HB2 LEU 24 HB2 LEU 24 -0.303 1.555 -2.313
193 HB3 LEU 24 HB1 LEU 24 -0.025 3.236 -2.726
194 HG LEU 24 HG LEU 24 1.775 2.537 -4.279
195 HD11 LEU 24 HD11 LEU 24 2.383 0.439 -3.198
196 HD12 LEU 24 HD12 LEU 24 1.976 0.188 -4.896
197 HD13 LEU 24 HD13 LEU 24 0.819 -0.249 -3.637
198 HD21 LEU 24 HD21 LEU 24 0.305 1.691 -6.006
199 HD22 LEU 24 HD22 LEU 24 -0.526 2.921 -5.052
200 HD23 LEU 24 HD23 LEU 24 -0.883 1.214 -4.795
201 H ALA 25 HN ALA 25 1.174 4.869 -1.381
202 HA ALA 25 HA ALA 25 3.254 5.789 -2.997
203 HB1 ALA 25 HB1 ALA 25 1.326 7.147 -2.341
204 HB2 ALA 25 HB2 ALA 25 2.848 7.965 -1.985
205 HB3 ALA 25 HB3 ALA 25 1.933 7.199 -0.686
206 H ALA 26 HN ALA 26 3.103 5.167 0.463
207 HA ALA 26 HA ALA 26 5.714 6.110 1.055
208 HB1 ALA 26 HB1 ALA 26 3.991 4.152 2.557
209 HB2 ALA 26 HB2 ALA 26 4.002 5.902 2.771
210 HB3 ALA 26 HB3 ALA 26 5.430 4.954 3.185
211 H TYR 27 HN TYR 27 4.351 2.945 0.304
212 HA TYR 27 HA TYR 27 6.681 1.438 0.737
213 HB2 TYR 27 HB2 TYR 27 4.606 0.271 0.600
214 HB3 TYR 27 HB1 TYR 27 4.257 0.946 -0.994
215 HD1 TYR 27 HD1 TYR 27 4.903 -0.187 -2.922
216 HD2 TYR 27 HD2 TYR 27 6.589 -1.305 0.808
217 HE1 TYR 27 HE1 TYR 27 5.962 -2.129 -3.994
218 HE2 TYR 27 HE2 TYR 27 7.656 -3.257 -0.246
219 HH TYR 27 HH TYR 27 7.430 -4.656 -2.176
220 H GLU 28 HN GLU 28 5.341 2.836 -2.238
221 HA GLU 28 HA GLU 28 7.361 1.912 -3.955
222 HB2 GLU 28 HB2 GLU 28 5.558 4.335 -4.148
223 HB3 GLU 28 HB1 GLU 28 6.599 3.786 -5.452
224 HG2 GLU 28 HG2 GLU 28 4.464 2.066 -4.203
225 HG3 GLU 28 HG1 GLU 28 4.203 3.085 -5.619
226 H LYS 29 HN LYS 29 7.126 4.732 -1.902
227 HA LYS 29 HA LYS 29 9.380 6.133 -2.866
228 HB2 LYS 29 HB2 LYS 29 7.608 7.102 -1.395
229 HB3 LYS 29 HB1 LYS 29 8.219 6.125 -0.070
230 HG2 LYS 29 HG2 LYS 29 9.045 8.373 0.151
231 HG3 LYS 29 HG1 LYS 29 10.382 7.290 -0.236
232 HD2 LYS 29 HD2 LYS 29 10.293 7.997 -2.575
233 HD3 LYS 29 HD1 LYS 29 8.930 9.059 -2.212
234 HE2 LYS 29 HE2 LYS 29 10.998 10.329 -2.308
235 HE3 LYS 29 HE1 LYS 29 10.343 10.335 -0.671
236 HZ1 LYS 29 HZ1 LYS 29 12.722 9.970 -0.661
237 HZ2 LYS 29 HZ2 LYS 29 12.552 8.606 -1.643
238 HZ3 LYS 29 HZ3 LYS 29 11.922 8.602 -0.076
239 H GLU 30 HN GLU 30 8.960 3.976 -0.068
240 HA GLU 30 HA GLU 30 11.689 3.962 0.667
241 HB2 GLU 30 HB2 GLU 30 9.522 1.940 1.277
242 HB3 GLU 30 HB1 GLU 30 11.080 2.031 2.077
243 HG2 GLU 30 HG2 GLU 30 10.522 4.262 2.917
244 HG3 GLU 30 HG1 GLU 30 8.949 4.150 2.126
245 H LEU 31 HN LEU 31 9.800 2.016 -1.525
246 HA LEU 31 HA LEU 31 11.595 -0.117 -1.879
247 HB2 LEU 31 HB2 LEU 31 9.198 -0.009 -2.668
248 HB3 LEU 31 HB1 LEU 31 9.742 1.028 -3.972
249 HG LEU 31 HG LEU 31 11.230 -0.815 -4.746
250 HD11 LEU 31 HD11 LEU 31 9.726 -2.390 -2.665
251 HD12 LEU 31 HD12 LEU 31 11.450 -2.016 -2.653
252 HD13 LEU 31 HD13 LEU 31 10.785 -3.072 -3.899
253 HD21 LEU 31 HD21 LEU 31 8.288 -1.430 -4.565
254 HD22 LEU 31 HD22 LEU 31 9.419 -2.138 -5.719
255 HD23 LEU 31 HD23 LEU 31 9.067 -0.410 -5.774
256 H ALA 32 HN ALA 32 11.339 3.032 -3.425
257 HA ALA 32 HA ALA 32 13.221 2.630 -5.467
258 HB1 ALA 32 HB1 ALA 32 13.285 5.069 -5.619
259 HB2 ALA 32 HB2 ALA 32 12.432 5.184 -4.080
260 HB3 ALA 32 HB3 ALA 32 11.634 4.467 -5.479
261 H ALA 33 HN ALA 33 13.583 3.387 -2.090
262 HA ALA 33 HA ALA 33 16.379 4.084 -2.336
263 HB1 ALA 33 HB1 ALA 33 16.297 4.273 0.113
264 HB2 ALA 33 HB2 ALA 33 14.642 3.663 0.089
265 HB3 ALA 33 HB3 ALA 33 15.023 5.207 -0.671
266 H TYR 34 HN TYR 34 14.498 1.271 -1.917
267 HA TYR 34 HA TYR 34 16.416 -0.303 -0.492
268 HB2 TYR 34 HB2 TYR 34 13.995 -0.761 -0.396
269 HB3 TYR 34 HB1 TYR 34 13.998 -1.132 -2.115
270 HD1 TYR 34 HD1 TYR 34 15.445 -2.220 1.129
271 HD2 TYR 34 HD2 TYR 34 14.385 -3.315 -2.839
272 HE1 TYR 34 HE1 TYR 34 15.908 -4.578 1.666
273 HE2 TYR 34 HE2 TYR 34 14.843 -5.675 -2.318
274 HH TYR 34 HH TYR 34 16.184 -6.974 -0.716
275 HN1 NH2 35 HN1 NH2 35 18.215 -1.073 -1.331
276 HN2 NH2 35 HN2 NH2 35 18.484 -1.495 -2.984
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 15.250 -0.788 4.945
2 H2 ACE 0 HA2 ACE 0 14.211 -1.211 3.587
3 H3 ACE 0 HA3 ACE 0 15.726 -2.086 3.809
4 HA PRO 1 HA PRO 1 13.771 -3.762 2.618
5 HB2 PRO 1 HB2 PRO 1 12.482 -6.163 3.194
6 HB3 PRO 1 HB1 PRO 1 14.169 -6.021 2.669
7 HG2 PRO 1 HG2 PRO 1 13.068 -6.355 5.408
8 HG3 PRO 1 HG1 PRO 1 14.521 -7.062 4.673
9 HD2 PRO 1 HD2 PRO 1 14.711 -5.002 6.375
10 HD3 PRO 1 HD1 PRO 1 15.776 -5.123 4.955
11 HA PRO 2 HA PRO 2 9.759 -2.072 3.725
12 HB2 PRO 2 HB2 PRO 2 9.095 -1.235 1.223
13 HB3 PRO 2 HB1 PRO 2 10.215 -0.338 2.268
14 HG2 PRO 2 HG2 PRO 2 10.796 -2.159 -0.006
15 HG3 PRO 2 HG1 PRO 2 11.587 -0.637 0.454
16 HD2 PRO 2 HD2 PRO 2 12.630 -3.101 0.997
17 HD3 PRO 2 HD1 PRO 2 12.960 -1.662 1.982
18 H LYS 3 HN LYS 3 7.783 -2.976 3.742
19 HA LYS 3 HA LYS 3 7.422 -5.393 2.128
20 HB2 LYS 3 HB2 LYS 3 5.872 -4.470 4.555
21 HB3 LYS 3 HB1 LYS 3 5.722 -6.030 3.765
22 HG2 LYS 3 HG2 LYS 3 8.132 -4.993 5.237
23 HG3 LYS 3 HG1 LYS 3 7.012 -6.241 5.785
24 HD2 LYS 3 HD2 LYS 3 7.669 -7.629 3.850
25 HD3 LYS 3 HD1 LYS 3 8.840 -6.392 3.392
26 HE2 LYS 3 HE2 LYS 3 9.972 -8.140 4.598
27 HE3 LYS 3 HE1 LYS 3 9.946 -6.678 5.580
28 HZ1 LYS 3 HZ1 LYS 3 8.088 -7.596 6.828
29 HZ2 LYS 3 HZ2 LYS 3 9.424 -8.629 6.896
30 HZ3 LYS 3 HZ3 LYS 3 8.122 -9.002 5.888
31 H LYS 4 HN LYS 4 5.705 -5.631 0.742
32 HA LYS 4 HA LYS 4 4.367 -3.191 -0.055
33 HB2 LYS 4 HB2 LYS 4 5.330 -4.791 -1.718
34 HB3 LYS 4 HB1 LYS 4 4.151 -5.992 -1.197
35 HG2 LYS 4 HG2 LYS 4 2.336 -4.555 -1.974
36 HG3 LYS 4 HG1 LYS 4 3.512 -3.339 -2.483
37 HD2 LYS 4 HD2 LYS 4 4.503 -4.952 -4.039
38 HD3 LYS 4 HD1 LYS 4 3.323 -6.164 -3.536
39 HE2 LYS 4 HE2 LYS 4 2.551 -5.222 -5.587
40 HE3 LYS 4 HE1 LYS 4 1.522 -4.595 -4.302
41 HZ1 LYS 4 HZ1 LYS 4 3.788 -3.152 -5.572
42 HZ2 LYS 4 HZ2 LYS 4 2.820 -2.549 -4.327
43 HZ3 LYS 4 HZ3 LYS 4 2.146 -2.857 -5.842
44 HA PRO 5 HA PRO 5 0.851 -4.251 2.544
45 HB2 PRO 5 HB2 PRO 5 -0.749 -2.195 1.691
46 HB3 PRO 5 HB1 PRO 5 0.522 -2.004 2.914
47 HG2 PRO 5 HG2 PRO 5 0.589 -1.349 0.013
48 HG3 PRO 5 HG1 PRO 5 1.232 -0.436 1.394
49 HD2 PRO 5 HD2 PRO 5 2.827 -1.924 -0.185
50 HD3 PRO 5 HD1 PRO 5 3.123 -1.740 1.559
51 H LYS 6 HN LYS 6 -1.202 -5.111 2.218
52 HA LYS 6 HA LYS 6 -1.573 -6.244 -0.417
53 HB2 LYS 6 HB2 LYS 6 -3.082 -6.662 2.169
54 HB3 LYS 6 HB1 LYS 6 -3.318 -7.598 0.698
55 HG2 LYS 6 HG2 LYS 6 -1.053 -8.437 0.832
56 HG3 LYS 6 HG1 LYS 6 -0.743 -7.436 2.252
57 HD2 LYS 6 HD2 LYS 6 -2.442 -8.649 3.497
58 HD3 LYS 6 HD1 LYS 6 -2.807 -9.626 2.074
59 HE2 LYS 6 HE2 LYS 6 -0.517 -10.507 2.106
60 HE3 LYS 6 HE1 LYS 6 -0.172 -9.543 3.541
61 HZ1 LYS 6 HZ1 LYS 6 -2.234 -11.672 3.369
62 HZ2 LYS 6 HZ2 LYS 6 -1.842 -10.775 4.748
63 HZ3 LYS 6 HZ3 LYS 6 -0.712 -11.840 4.086
64 H LYS 7 HN LYS 7 -2.956 -5.535 -1.877
65 HA LYS 7 HA LYS 7 -4.486 -3.164 -1.345
66 HB2 LYS 7 HB2 LYS 7 -3.258 -3.503 -3.477
67 HB3 LYS 7 HB1 LYS 7 -4.326 -4.846 -3.855
68 HG2 LYS 7 HG2 LYS 7 -6.235 -3.342 -3.943
69 HG3 LYS 7 HG1 LYS 7 -5.191 -1.979 -3.503
70 HD2 LYS 7 HD2 LYS 7 -3.926 -2.232 -5.540
71 HD3 LYS 7 HD1 LYS 7 -4.819 -3.694 -5.957
72 HE2 LYS 7 HE2 LYS 7 -6.848 -2.444 -6.250
73 HE3 LYS 7 HE1 LYS 7 -6.085 -0.979 -5.627
74 HZ1 LYS 7 HZ1 LYS 7 -5.261 -2.391 -8.106
75 HZ2 LYS 7 HZ2 LYS 7 -4.651 -0.920 -7.532
76 HZ3 LYS 7 HZ3 LYS 7 -6.252 -1.021 -8.060
77 HA PRO 8 HA PRO 8 -8.216 -5.375 -0.156
78 HB2 PRO 8 HB2 PRO 8 -9.364 -2.670 -0.590
79 HB3 PRO 8 HB1 PRO 8 -9.449 -3.710 0.843
80 HG2 PRO 8 HG2 PRO 8 -7.924 -1.550 0.815
81 HG3 PRO 8 HG1 PRO 8 -7.409 -3.040 1.628
82 HD2 PRO 8 HD2 PRO 8 -6.527 -1.917 -0.992
83 HD3 PRO 8 HD1 PRO 8 -5.586 -2.764 0.259
84 H GLY 9 HN GLY 9 -9.612 -6.429 -1.427
85 HA2 GLY 9 HA2 GLY 9 -10.440 -5.169 -3.956
86 HA3 GLY 9 HA1 GLY 9 -9.901 -6.839 -3.918
87 H ASP 10 HN ASP 10 -11.124 -7.730 -1.615
88 HA ASP 10 HA ASP 10 -13.819 -8.095 -2.563
89 HB2 ASP 10 HB2 ASP 10 -12.638 -10.000 -1.631
90 HB3 ASP 10 HB1 ASP 10 -12.401 -9.152 -0.108
91 H ASN 11 HN ASN 11 -15.320 -6.621 -2.205
92 HA ASN 11 HA ASN 11 -16.590 -4.983 -1.254
93 HB2 ASN 11 HB2 ASN 11 -15.735 -6.481 1.217
94 HB3 ASN 11 HB1 ASN 11 -16.821 -5.098 1.290
95 HD21 ASN 11 HD21 ASN 11 -18.911 -5.292 0.396
96 HD22 ASN 11 HD22 ASN 11 -19.601 -6.839 0.049
97 H ALA 12 HN ALA 12 -14.054 -4.220 -2.010
98 HA ALA 12 HA ALA 12 -12.751 -2.772 0.106
99 HB1 ALA 12 HB1 ALA 12 -12.277 -2.695 -2.867
100 HB2 ALA 12 HB2 ALA 12 -11.463 -3.758 -1.718
101 HB3 ALA 12 HB3 ALA 12 -11.227 -2.014 -1.627
102 H THR 13 HN THR 13 -12.955 -0.680 0.621
103 HA THR 13 HA THR 13 -14.872 0.919 -0.904
104 HB THR 13 HB THR 13 -14.874 2.406 1.077
105 HG1 THR 13 HG1 THR 13 -13.833 1.541 2.993
106 HG21 THR 13 HG21 THR 13 -16.533 0.627 0.883
107 HG22 THR 13 HG22 THR 13 -16.083 0.887 2.567
108 HG23 THR 13 HG23 THR 13 -15.435 -0.494 1.685
109 HA PRO 14 HA PRO 14 -11.735 3.606 -2.614
110 HB2 PRO 14 HB2 PRO 14 -13.609 5.767 -1.744
111 HB3 PRO 14 HB1 PRO 14 -12.855 5.504 -3.330
112 HG2 PRO 14 HG2 PRO 14 -15.391 4.928 -2.979
113 HG3 PRO 14 HG1 PRO 14 -14.340 3.846 -3.919
114 HD2 PRO 14 HD2 PRO 14 -15.375 3.503 -1.132
115 HD3 PRO 14 HD1 PRO 14 -15.126 2.288 -2.400
116 H GLU 15 HN GLU 15 -13.235 4.341 0.487
117 HA GLU 15 HA GLU 15 -11.285 6.121 1.465
118 HB2 GLU 15 HB2 GLU 15 -13.604 5.744 2.396
119 HB3 GLU 15 HB1 GLU 15 -13.004 4.252 3.102
120 HG2 GLU 15 HG2 GLU 15 -13.029 5.982 4.760
121 HG3 GLU 15 HG1 GLU 15 -11.363 5.552 4.384
122 H LYS 16 HN LYS 16 -11.556 2.613 1.500
123 HA LYS 16 HA LYS 16 -9.305 2.243 3.237
124 HB2 LYS 16 HB2 LYS 16 -11.204 0.628 3.075
125 HB3 LYS 16 HB1 LYS 16 -10.667 0.227 1.448
126 HG2 LYS 16 HG2 LYS 16 -9.867 -1.457 2.945
127 HG3 LYS 16 HG1 LYS 16 -8.492 -0.496 2.406
128 HD2 LYS 16 HD2 LYS 16 -8.316 -0.935 4.781
129 HD3 LYS 16 HD1 LYS 16 -8.591 0.785 4.507
130 HE2 LYS 16 HE2 LYS 16 -9.934 -0.063 6.369
131 HE3 LYS 16 HE1 LYS 16 -10.946 0.516 5.049
132 HZ1 LYS 16 HZ1 LYS 16 -11.229 -1.787 4.328
133 HZ2 LYS 16 HZ2 LYS 16 -11.779 -1.564 5.908
134 HZ3 LYS 16 HZ3 LYS 16 -10.294 -2.325 5.631
135 H LEU 17 HN LEU 17 -9.917 2.238 -0.219
136 HA LEU 17 HA LEU 17 -7.344 1.389 -1.007
137 HB2 LEU 17 HB2 LEU 17 -9.571 2.818 -2.353
138 HB3 LEU 17 HB1 LEU 17 -7.982 2.922 -3.087
139 HG LEU 17 HG LEU 17 -9.184 1.154 -4.153
140 HD11 LEU 17 HD11 LEU 17 -7.742 -0.750 -3.759
141 HD12 LEU 17 HD12 LEU 17 -7.214 -0.062 -2.226
142 HD13 LEU 17 HD13 LEU 17 -6.808 0.744 -3.742
143 HD21 LEU 17 HD21 LEU 17 -9.604 -0.075 -1.436
144 HD22 LEU 17 HD22 LEU 17 -10.122 -0.738 -2.985
145 HD23 LEU 17 HD23 LEU 17 -10.838 0.758 -2.384
146 H ALA 18 HN ALA 18 -8.678 4.523 -0.161
147 HA ALA 18 HA ALA 18 -6.466 6.104 -0.821
148 HB1 ALA 18 HB1 ALA 18 -8.659 7.015 -0.204
149 HB2 ALA 18 HB2 ALA 18 -7.360 7.718 0.763
150 HB3 ALA 18 HB3 ALA 18 -8.405 6.475 1.455
151 H ALA 19 HN ALA 19 -7.256 4.241 2.059
152 HA ALA 19 HA ALA 19 -5.002 4.906 3.591
153 HB1 ALA 19 HB1 ALA 19 -5.502 2.897 4.867
154 HB2 ALA 19 HB2 ALA 19 -6.579 2.342 3.586
155 HB3 ALA 19 HB3 ALA 19 -6.978 3.792 4.507
156 H TYR 20 HN TYR 20 -5.598 2.255 1.311
157 HA TYR 20 HA TYR 20 -3.089 1.022 1.543
158 HB2 TYR 20 HB2 TYR 20 -4.879 -0.160 0.454
159 HB3 TYR 20 HB1 TYR 20 -5.036 1.098 -0.764
160 HD1 TYR 20 HD1 TYR 20 -2.693 -1.489 0.510
161 HD2 TYR 20 HD2 TYR 20 -3.827 0.971 -2.767
162 HE1 TYR 20 HE1 TYR 20 -1.128 -2.711 -0.947
163 HE2 TYR 20 HE2 TYR 20 -2.263 -0.243 -4.230
164 HH TYR 20 HH TYR 20 -0.831 -3.185 -3.341
165 H GLU 21 HN GLU 21 -4.252 3.494 -0.733
166 HA GLU 21 HA GLU 21 -1.840 3.715 -2.162
167 HB2 GLU 21 HB2 GLU 21 -4.107 5.664 -1.775
168 HB3 GLU 21 HB1 GLU 21 -2.735 5.993 -2.819
169 HG2 GLU 21 HG2 GLU 21 -3.305 3.895 -4.077
170 HG3 GLU 21 HG1 GLU 21 -4.783 3.811 -3.117
171 H LYS 22 HN LYS 22 -2.848 5.036 0.884
172 HA LYS 22 HA LYS 22 -0.792 6.986 1.107
173 HB2 LYS 22 HB2 LYS 22 -2.804 7.031 2.512
174 HB3 LYS 22 HB1 LYS 22 -2.319 5.522 3.266
175 HG2 LYS 22 HG2 LYS 22 -1.819 7.361 4.729
176 HG3 LYS 22 HG1 LYS 22 -0.317 6.634 4.156
177 HD2 LYS 22 HD2 LYS 22 -0.038 8.415 2.532
178 HD3 LYS 22 HD1 LYS 22 -1.589 9.116 2.996
179 HE2 LYS 22 HE2 LYS 22 0.881 8.876 4.711
180 HE3 LYS 22 HE1 LYS 22 0.196 10.354 4.040
181 HZ1 LYS 22 HZ1 LYS 22 -0.417 10.143 6.334
182 HZ2 LYS 22 HZ2 LYS 22 -1.060 8.603 6.078
183 HZ3 LYS 22 HZ3 LYS 22 -1.801 9.954 5.382
184 H GLU 23 HN GLU 23 -1.145 3.651 2.273
185 HA GLU 23 HA GLU 23 1.468 3.403 3.326
186 HB2 GLU 23 HB2 GLU 23 -0.432 1.303 2.244
187 HB3 GLU 23 HB1 GLU 23 1.056 0.937 3.109
188 HG2 GLU 23 HG2 GLU 23 0.205 1.973 5.107
189 HG3 GLU 23 HG1 GLU 23 -1.248 2.506 4.252
190 H LEU 24 HN LEU 24 0.063 2.899 0.178
191 HA LEU 24 HA LEU 24 2.246 1.662 -1.086
192 HB2 LEU 24 HB2 LEU 24 -0.133 1.817 -1.927
193 HB3 LEU 24 HB1 LEU 24 0.220 3.472 -2.394
194 HG LEU 24 HG LEU 24 2.044 2.607 -3.868
195 HD11 LEU 24 HD11 LEU 24 0.808 -0.074 -3.262
196 HD12 LEU 24 HD12 LEU 24 2.387 0.473 -2.700
197 HD13 LEU 24 HD13 LEU 24 2.091 0.255 -4.424
198 HD21 LEU 24 HD21 LEU 24 -0.715 1.535 -4.428
199 HD22 LEU 24 HD22 LEU 24 0.548 1.842 -5.619
200 HD23 LEU 24 HD23 LEU 24 -0.171 3.184 -4.730
201 H ALA 25 HN ALA 25 1.346 5.049 -0.671
202 HA ALA 25 HA ALA 25 3.244 6.195 -2.361
203 HB1 ALA 25 HB1 ALA 25 2.885 8.239 -1.107
204 HB2 ALA 25 HB2 ALA 25 2.145 7.322 0.205
205 HB3 ALA 25 HB3 ALA 25 1.353 7.405 -1.368
206 H ALA 26 HN ALA 26 3.449 5.285 1.041
207 HA ALA 26 HA ALA 26 6.120 6.201 1.401
208 HB1 ALA 26 HB1 ALA 26 4.492 4.212 2.972
209 HB2 ALA 26 HB2 ALA 26 4.660 5.936 3.302
210 HB3 ALA 26 HB3 ALA 26 6.050 4.867 3.474
211 H TYR 27 HN TYR 27 4.632 3.130 0.568
212 HA TYR 27 HA TYR 27 6.945 1.540 0.722
213 HB2 TYR 27 HB2 TYR 27 4.855 0.421 0.724
214 HB3 TYR 27 HB1 TYR 27 4.349 1.210 -0.770
215 HD1 TYR 27 HD1 TYR 27 6.761 -1.235 0.613
216 HD2 TYR 27 HD2 TYR 27 4.777 0.226 -2.842
217 HE1 TYR 27 HE1 TYR 27 7.640 -3.135 -0.681
218 HE2 TYR 27 HE2 TYR 27 5.634 -1.668 -4.150
219 HH TYR 27 HH TYR 27 7.483 -3.271 -4.075
220 H GLU 28 HN GLU 28 5.401 3.156 -2.048
221 HA GLU 28 HA GLU 28 7.172 2.235 -4.019
222 HB2 GLU 28 HB2 GLU 28 5.634 4.842 -3.886
223 HB3 GLU 28 HB1 GLU 28 6.427 4.226 -5.325
224 HG2 GLU 28 HG2 GLU 28 4.285 2.677 -3.889
225 HG3 GLU 28 HG1 GLU 28 3.923 3.871 -5.136
226 H LYS 29 HN LYS 29 7.370 4.873 -1.748
227 HA LYS 29 HA LYS 29 9.648 6.162 -2.824
228 HB2 LYS 29 HB2 LYS 29 8.129 7.227 -1.203
229 HB3 LYS 29 HB1 LYS 29 8.633 6.077 0.025
230 HG2 LYS 29 HG2 LYS 29 10.890 6.960 -0.027
231 HG3 LYS 29 HG1 LYS 29 10.447 8.074 -1.319
232 HD2 LYS 29 HD2 LYS 29 10.477 9.239 0.806
233 HD3 LYS 29 HD1 LYS 29 8.825 9.152 0.200
234 HE2 LYS 29 HE2 LYS 29 8.803 8.680 2.550
235 HE3 LYS 29 HE1 LYS 29 8.447 7.191 1.681
236 HZ1 LYS 29 HZ1 LYS 29 11.064 7.945 2.864
237 HZ2 LYS 29 HZ2 LYS 29 10.776 6.538 1.975
238 HZ3 LYS 29 HZ3 LYS 29 9.998 6.774 3.458
239 H GLU 30 HN GLU 30 9.271 3.868 -0.123
240 HA GLU 30 HA GLU 30 12.043 3.608 0.371
241 HB2 GLU 30 HB2 GLU 30 9.778 1.738 1.078
242 HB3 GLU 30 HB1 GLU 30 11.410 1.629 1.712
243 HG2 GLU 30 HG2 GLU 30 11.154 3.835 2.742
244 HG3 GLU 30 HG1 GLU 30 9.504 3.915 2.123
245 H LEU 31 HN LEU 31 9.832 1.944 -1.750
246 HA LEU 31 HA LEU 31 11.422 -0.304 -2.339
247 HB2 LEU 31 HB2 LEU 31 8.994 -0.036 -2.917
248 HB3 LEU 31 HB1 LEU 31 9.469 1.079 -4.186
249 HG LEU 31 HG LEU 31 10.775 -0.742 -5.248
250 HD11 LEU 31 HD11 LEU 31 10.350 -3.051 -4.519
251 HD12 LEU 31 HD12 LEU 31 9.474 -2.432 -3.119
252 HD13 LEU 31 HD13 LEU 31 11.198 -2.108 -3.293
253 HD21 LEU 31 HD21 LEU 31 7.860 -1.338 -4.784
254 HD22 LEU 31 HD22 LEU 31 8.841 -1.925 -6.129
255 HD23 LEU 31 HD23 LEU 31 8.507 -0.200 -5.965
256 H ALA 32 HN ALA 32 11.205 2.890 -3.829
257 HA ALA 32 HA ALA 32 13.023 2.446 -5.916
258 HB1 ALA 32 HB1 ALA 32 12.422 5.008 -4.454
259 HB2 ALA 32 HB2 ALA 32 11.531 4.368 -5.833
260 HB3 ALA 32 HB3 ALA 32 13.209 4.872 -6.027
261 H ALA 33 HN ALA 33 13.464 3.367 -2.560
262 HA ALA 33 HA ALA 33 16.253 3.895 -2.760
263 HB1 ALA 33 HB1 ALA 33 16.206 3.959 -0.337
264 HB2 ALA 33 HB2 ALA 33 14.601 3.230 -0.334
265 HB3 ALA 33 HB3 ALA 33 14.833 4.844 -1.004
266 H TYR 34 HN TYR 34 14.332 1.043 -2.248
267 HA TYR 34 HA TYR 34 16.510 -0.534 -1.211
268 HB2 TYR 34 HB2 TYR 34 14.091 -0.907 -0.614
269 HB3 TYR 34 HB1 TYR 34 13.834 -1.486 -2.256
270 HD1 TYR 34 HD1 TYR 34 14.068 -3.755 -2.699
271 HD2 TYR 34 HD2 TYR 34 15.972 -2.115 0.732
272 HE1 TYR 34 HE1 TYR 34 14.741 -6.017 -2.002
273 HE2 TYR 34 HE2 TYR 34 16.654 -4.374 1.440
274 HH TYR 34 HH TYR 34 16.503 -7.061 -0.597
275 HN1 NH2 35 HN1 NH2 35 14.910 -0.053 -4.284
276 HN2 NH2 35 HN2 NH2 35 16.001 -1.004 -5.226
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 15.767 -2.673 2.760
2 H2 ACE 0 HA2 ACE 0 15.823 -1.494 4.067
3 H3 ACE 0 HA3 ACE 0 14.375 -1.592 3.069
4 HA PRO 1 HA PRO 1 13.609 -4.129 1.985
5 HB2 PRO 1 HB2 PRO 1 12.574 -6.631 3.192
6 HB3 PRO 1 HB1 PRO 1 13.378 -6.391 1.631
7 HG2 PRO 1 HG2 PRO 1 14.598 -7.610 3.654
8 HG3 PRO 1 HG1 PRO 1 15.472 -6.563 2.518
9 HD2 PRO 1 HD2 PRO 1 14.601 -5.988 5.316
10 HD3 PRO 1 HD1 PRO 1 16.078 -5.484 4.469
11 HA PRO 2 HA PRO 2 9.827 -2.694 3.973
12 HB2 PRO 2 HB2 PRO 2 8.891 -1.344 1.799
13 HB3 PRO 2 HB1 PRO 2 10.112 -0.680 2.896
14 HG2 PRO 2 HG2 PRO 2 10.421 -1.789 0.187
15 HG3 PRO 2 HG1 PRO 2 11.360 -0.537 1.020
16 HD2 PRO 2 HD2 PRO 2 12.134 -3.197 0.665
17 HD3 PRO 2 HD1 PRO 2 12.859 -2.043 1.800
18 H LYS 3 HN LYS 3 7.739 -3.428 3.909
19 HA LYS 3 HA LYS 3 7.284 -5.651 2.066
20 HB2 LYS 3 HB2 LYS 3 6.057 -4.925 4.720
21 HB3 LYS 3 HB1 LYS 3 5.438 -6.220 3.707
22 HG2 LYS 3 HG2 LYS 3 7.645 -7.314 3.817
23 HG3 LYS 3 HG1 LYS 3 8.185 -6.047 4.920
24 HD2 LYS 3 HD2 LYS 3 6.557 -6.694 6.555
25 HD3 LYS 3 HD1 LYS 3 5.809 -7.828 5.429
26 HE2 LYS 3 HE2 LYS 3 7.903 -9.116 5.381
27 HE3 LYS 3 HE1 LYS 3 8.595 -8.007 6.562
28 HZ1 LYS 3 HZ1 LYS 3 6.945 -8.679 8.153
29 HZ2 LYS 3 HZ2 LYS 3 7.737 -10.052 7.567
30 HZ3 LYS 3 HZ3 LYS 3 6.181 -9.674 7.018
31 H LYS 4 HN LYS 4 5.688 -5.689 0.628
32 HA LYS 4 HA LYS 4 4.393 -3.287 -0.133
33 HB2 LYS 4 HB2 LYS 4 5.022 -5.099 -1.712
34 HB3 LYS 4 HB1 LYS 4 3.822 -6.149 -0.962
35 HG2 LYS 4 HG2 LYS 4 2.904 -5.326 -2.991
36 HG3 LYS 4 HG1 LYS 4 2.067 -4.516 -1.667
37 HD2 LYS 4 HD2 LYS 4 3.377 -2.524 -1.995
38 HD3 LYS 4 HD1 LYS 4 4.383 -3.336 -3.195
39 HE2 LYS 4 HE2 LYS 4 1.414 -2.865 -3.488
40 HE3 LYS 4 HE1 LYS 4 2.664 -1.828 -4.178
41 HZ1 LYS 4 HZ1 LYS 4 2.245 -4.699 -4.800
42 HZ2 LYS 4 HZ2 LYS 4 3.471 -3.735 -5.443
43 HZ3 LYS 4 HZ3 LYS 4 1.854 -3.398 -5.807
44 HA PRO 5 HA PRO 5 1.092 -3.519 2.916
45 HB2 PRO 5 HB2 PRO 5 -0.513 -1.666 1.590
46 HB3 PRO 5 HB1 PRO 5 0.724 -1.274 2.798
47 HG2 PRO 5 HG2 PRO 5 0.884 -1.174 -0.164
48 HG3 PRO 5 HG1 PRO 5 1.589 -0.086 1.049
49 HD2 PRO 5 HD2 PRO 5 3.095 -1.887 -0.215
50 HD3 PRO 5 HD1 PRO 5 3.358 -1.505 1.499
51 H LYS 6 HN LYS 6 -0.841 -4.538 3.051
52 HA LYS 6 HA LYS 6 -1.638 -6.231 0.926
53 HB2 LYS 6 HB2 LYS 6 -3.080 -5.505 3.483
54 HB3 LYS 6 HB1 LYS 6 -3.513 -6.836 2.420
55 HG2 LYS 6 HG2 LYS 6 -1.353 -7.890 2.870
56 HG3 LYS 6 HG1 LYS 6 -0.930 -6.556 3.942
57 HD2 LYS 6 HD2 LYS 6 -2.823 -7.103 5.380
58 HD3 LYS 6 HD1 LYS 6 -3.269 -8.426 4.303
59 HE2 LYS 6 HE2 LYS 6 -0.675 -8.200 5.829
60 HE3 LYS 6 HE1 LYS 6 -2.044 -9.212 6.284
61 HZ1 LYS 6 HZ1 LYS 6 -1.773 -10.423 4.195
62 HZ2 LYS 6 HZ2 LYS 6 -0.376 -10.503 5.143
63 HZ3 LYS 6 HZ3 LYS 6 -0.429 -9.473 3.806
64 H LYS 7 HN LYS 7 -2.839 -5.721 -0.770
65 HA LYS 7 HA LYS 7 -4.284 -3.230 -0.854
66 HB2 LYS 7 HB2 LYS 7 -3.051 -4.022 -2.843
67 HB3 LYS 7 HB1 LYS 7 -4.078 -5.449 -2.906
68 HG2 LYS 7 HG2 LYS 7 -6.023 -4.062 -3.355
69 HG3 LYS 7 HG1 LYS 7 -5.023 -2.605 -3.246
70 HD2 LYS 7 HD2 LYS 7 -3.729 -3.303 -5.165
71 HD3 LYS 7 HD1 LYS 7 -4.596 -4.837 -5.237
72 HE2 LYS 7 HE2 LYS 7 -5.843 -2.112 -5.614
73 HE3 LYS 7 HE1 LYS 7 -5.392 -3.207 -6.917
74 HZ1 LYS 7 HZ1 LYS 7 -7.409 -3.756 -4.807
75 HZ2 LYS 7 HZ2 LYS 7 -6.965 -4.826 -6.037
76 HZ3 LYS 7 HZ3 LYS 7 -7.738 -3.370 -6.420
77 HA PRO 8 HA PRO 8 -8.007 -5.171 0.764
78 HB2 PRO 8 HB2 PRO 8 -9.167 -2.567 -0.028
79 HB3 PRO 8 HB1 PRO 8 -9.159 -3.359 1.555
80 HG2 PRO 8 HG2 PRO 8 -7.662 -1.214 1.056
81 HG3 PRO 8 HG1 PRO 8 -7.132 -2.514 2.139
82 HD2 PRO 8 HD2 PRO 8 -6.276 -1.923 -0.651
83 HD3 PRO 8 HD1 PRO 8 -5.334 -2.550 0.722
84 H GLY 9 HN GLY 9 -9.637 -6.217 -0.264
85 HA2 GLY 9 HA2 GLY 9 -9.655 -6.195 -3.131
86 HA3 GLY 9 HA1 GLY 9 -10.689 -7.163 -2.087
87 H ASP 10 HN ASP 10 -12.076 -6.388 -4.062
88 HA ASP 10 HA ASP 10 -13.072 -3.707 -3.922
89 HB2 ASP 10 HB2 ASP 10 -14.130 -6.125 -5.397
90 HB3 ASP 10 HB1 ASP 10 -14.740 -4.485 -5.585
91 H ASN 11 HN ASN 11 -13.513 -6.346 -2.011
92 HA ASN 11 HA ASN 11 -16.244 -5.934 -1.257
93 HB2 ASN 11 HB2 ASN 11 -15.788 -7.397 0.617
94 HB3 ASN 11 HB1 ASN 11 -15.019 -8.074 -0.812
95 HD21 ASN 11 HD21 ASN 11 -12.758 -8.132 -0.920
96 HD22 ASN 11 HD22 ASN 11 -11.757 -7.810 0.456
97 H ALA 12 HN ALA 12 -13.374 -4.240 -0.746
98 HA ALA 12 HA ALA 12 -14.324 -2.965 1.711
99 HB1 ALA 12 HB1 ALA 12 -12.000 -3.759 1.673
100 HB2 ALA 12 HB2 ALA 12 -12.096 -2.011 1.881
101 HB3 ALA 12 HB3 ALA 12 -11.666 -2.691 0.312
102 H THR 13 HN THR 13 -14.048 -0.578 1.821
103 HA THR 13 HA THR 13 -15.381 0.612 -0.428
104 HB THR 13 HB THR 13 -15.307 2.679 1.015
105 HG1 THR 13 HG1 THR 13 -14.851 1.730 3.358
106 HG21 THR 13 HG21 THR 13 -17.216 1.126 0.975
107 HG22 THR 13 HG22 THR 13 -16.995 1.874 2.556
108 HG23 THR 13 HG23 THR 13 -16.478 0.210 2.289
109 HA PRO 14 HA PRO 14 -11.961 2.495 -2.580
110 HB2 PRO 14 HB2 PRO 14 -13.552 5.017 -2.348
111 HB3 PRO 14 HB1 PRO 14 -12.813 4.279 -3.785
112 HG2 PRO 14 HG2 PRO 14 -15.400 4.104 -3.431
113 HG3 PRO 14 HG1 PRO 14 -14.475 2.697 -4.002
114 HD2 PRO 14 HD2 PRO 14 -15.584 3.235 -1.270
115 HD3 PRO 14 HD1 PRO 14 -15.499 1.707 -2.170
116 H GLU 15 HN GLU 15 -13.305 4.021 0.281
117 HA GLU 15 HA GLU 15 -11.205 5.812 0.814
118 HB2 GLU 15 HB2 GLU 15 -13.483 5.784 1.912
119 HB3 GLU 15 HB1 GLU 15 -12.917 4.431 2.880
120 HG2 GLU 15 HG2 GLU 15 -12.696 6.415 4.171
121 HG3 GLU 15 HG1 GLU 15 -11.081 5.882 3.714
122 H LYS 16 HN LYS 16 -11.613 2.389 1.437
123 HA LYS 16 HA LYS 16 -9.344 2.217 3.191
124 HB2 LYS 16 HB2 LYS 16 -11.380 0.667 3.195
125 HB3 LYS 16 HB1 LYS 16 -10.685 -0.080 1.762
126 HG2 LYS 16 HG2 LYS 16 -10.120 -1.385 3.704
127 HG3 LYS 16 HG1 LYS 16 -8.658 -0.619 3.078
128 HD2 LYS 16 HD2 LYS 16 -8.745 1.072 4.794
129 HD3 LYS 16 HD1 LYS 16 -10.307 0.479 5.357
130 HE2 LYS 16 HE2 LYS 16 -8.549 -0.267 6.842
131 HE3 LYS 16 HE1 LYS 16 -9.247 -1.647 6.000
132 HZ1 LYS 16 HZ1 LYS 16 -6.689 -0.300 5.310
133 HZ2 LYS 16 HZ2 LYS 16 -7.361 -1.607 4.477
134 HZ3 LYS 16 HZ3 LYS 16 -6.848 -1.799 6.073
135 H LEU 17 HN LEU 17 -10.033 1.754 -0.206
136 HA LEU 17 HA LEU 17 -7.486 0.753 -0.932
137 HB2 LEU 17 HB2 LEU 17 -9.725 2.043 -2.423
138 HB3 LEU 17 HB1 LEU 17 -8.160 1.907 -3.203
139 HG LEU 17 HG LEU 17 -9.509 0.064 -3.909
140 HD11 LEU 17 HD11 LEU 17 -8.164 -1.825 -3.227
141 HD12 LEU 17 HD12 LEU 17 -7.553 -0.920 -1.845
142 HD13 LEU 17 HD13 LEU 17 -7.145 -0.409 -3.482
143 HD21 LEU 17 HD21 LEU 17 -10.490 -1.545 -2.372
144 HD22 LEU 17 HD22 LEU 17 -11.133 0.072 -2.084
145 HD23 LEU 17 HD23 LEU 17 -9.917 -0.601 -0.998
146 H ALA 18 HN ALA 18 -8.800 3.986 -0.543
147 HA ALA 18 HA ALA 18 -6.651 5.467 -1.524
148 HB1 ALA 18 HB1 ALA 18 -8.823 6.431 -0.920
149 HB2 ALA 18 HB2 ALA 18 -7.486 7.286 -0.149
150 HB3 ALA 18 HB3 ALA 18 -8.463 6.150 0.783
151 H ALA 19 HN ALA 19 -7.272 4.126 1.680
152 HA ALA 19 HA ALA 19 -4.978 4.995 2.990
153 HB1 ALA 19 HB1 ALA 19 -5.334 3.146 4.517
154 HB2 ALA 19 HB2 ALA 19 -6.406 2.370 3.351
155 HB3 ALA 19 HB3 ALA 19 -6.874 3.898 4.096
156 H TYR 20 HN TYR 20 -5.534 2.130 0.990
157 HA TYR 20 HA TYR 20 -2.973 1.003 1.232
158 HB2 TYR 20 HB2 TYR 20 -4.628 -0.394 0.286
159 HB3 TYR 20 HB1 TYR 20 -5.089 0.819 -0.900
160 HD1 TYR 20 HD1 TYR 20 -4.244 0.708 -3.050
161 HD2 TYR 20 HD2 TYR 20 -2.210 -1.347 0.067
162 HE1 TYR 20 HE1 TYR 20 -2.734 -0.298 -4.712
163 HE2 TYR 20 HE2 TYR 20 -0.692 -2.361 -1.588
164 HH TYR 20 HH TYR 20 -0.574 -1.300 -4.865
165 H GLU 21 HN GLU 21 -4.306 3.316 -1.087
166 HA GLU 21 HA GLU 21 -2.031 3.557 -2.703
167 HB2 GLU 21 HB2 GLU 21 -4.192 5.578 -2.082
168 HB3 GLU 21 HB1 GLU 21 -2.976 5.795 -3.329
169 HG2 GLU 21 HG2 GLU 21 -3.821 3.777 -4.470
170 HG3 GLU 21 HG1 GLU 21 -5.072 3.631 -3.233
171 H LYS 22 HN LYS 22 -2.887 5.108 0.337
172 HA LYS 22 HA LYS 22 -0.739 6.975 0.287
173 HB2 LYS 22 HB2 LYS 22 -2.779 7.256 1.680
174 HB3 LYS 22 HB1 LYS 22 -2.238 5.920 2.688
175 HG2 LYS 22 HG2 LYS 22 -1.711 8.016 3.752
176 HG3 LYS 22 HG1 LYS 22 -0.220 7.203 3.269
177 HD2 LYS 22 HD2 LYS 22 -0.104 8.629 1.270
178 HD3 LYS 22 HD1 LYS 22 -1.580 9.450 1.778
179 HE2 LYS 22 HE2 LYS 22 -0.436 10.166 3.842
180 HE3 LYS 22 HE1 LYS 22 1.042 9.396 3.268
181 HZ1 LYS 22 HZ1 LYS 22 1.044 10.895 1.376
182 HZ2 LYS 22 HZ2 LYS 22 1.051 11.765 2.825
183 HZ3 LYS 22 HZ3 LYS 22 -0.375 11.634 1.925
184 H GLU 23 HN GLU 23 -1.209 3.772 1.699
185 HA GLU 23 HA GLU 23 1.348 3.554 2.887
186 HB2 GLU 23 HB2 GLU 23 -0.546 1.427 1.872
187 HB3 GLU 23 HB1 GLU 23 0.913 1.084 2.793
188 HG2 GLU 23 HG2 GLU 23 -1.440 2.696 3.757
189 HG3 GLU 23 HG1 GLU 23 -1.076 1.021 4.190
190 H LEU 24 HN LEU 24 0.090 2.933 -0.297
191 HA LEU 24 HA LEU 24 2.302 1.607 -1.416
192 HB2 LEU 24 HB2 LEU 24 0.038 1.756 -2.443
193 HB3 LEU 24 HB1 LEU 24 0.337 3.450 -2.788
194 HG LEU 24 HG LEU 24 2.244 2.792 -4.229
195 HD11 LEU 24 HD11 LEU 24 2.479 0.471 -4.910
196 HD12 LEU 24 HD12 LEU 24 1.218 -0.005 -3.772
197 HD13 LEU 24 HD13 LEU 24 2.746 0.647 -3.176
198 HD21 LEU 24 HD21 LEU 24 0.035 3.243 -5.163
199 HD22 LEU 24 HD22 LEU 24 -0.404 1.548 -4.950
200 HD23 LEU 24 HD23 LEU 24 0.879 1.992 -6.075
201 H ALA 25 HN ALA 25 1.456 5.020 -1.166
202 HA ALA 25 HA ALA 25 3.596 6.067 -2.632
203 HB1 ALA 25 HB1 ALA 25 1.623 7.359 -1.990
204 HB2 ALA 25 HB2 ALA 25 3.113 8.161 -1.491
205 HB3 ALA 25 HB3 ALA 25 2.136 7.295 -0.304
206 H ALA 26 HN ALA 26 3.283 5.259 0.792
207 HA ALA 26 HA ALA 26 5.871 6.166 1.531
208 HB1 ALA 26 HB1 ALA 26 4.099 4.139 2.886
209 HB2 ALA 26 HB2 ALA 26 4.070 5.881 3.161
210 HB3 ALA 26 HB3 ALA 26 5.495 4.940 3.605
211 H TYR 27 HN TYR 27 4.529 3.049 0.588
212 HA TYR 27 HA TYR 27 6.851 1.522 1.011
213 HB2 TYR 27 HB2 TYR 27 4.763 0.383 0.813
214 HB3 TYR 27 HB1 TYR 27 4.460 1.083 -0.779
215 HD1 TYR 27 HD1 TYR 27 6.671 -1.244 1.060
216 HD2 TYR 27 HD2 TYR 27 5.206 0.008 -2.718
217 HE1 TYR 27 HE1 TYR 27 7.756 -3.188 0.008
218 HE2 TYR 27 HE2 TYR 27 6.271 -1.935 -3.786
219 HH TYR 27 HH TYR 27 7.613 -4.534 -1.948
220 H GLU 28 HN GLU 28 5.557 3.012 -1.964
221 HA GLU 28 HA GLU 28 7.612 2.064 -3.633
222 HB2 GLU 28 HB2 GLU 28 5.801 4.464 -3.927
223 HB3 GLU 28 HB1 GLU 28 6.916 3.934 -5.175
224 HG2 GLU 28 HG2 GLU 28 5.749 1.710 -5.145
225 HG3 GLU 28 HG1 GLU 28 4.529 2.443 -4.097
226 H LYS 29 HN LYS 29 7.435 4.769 -1.471
227 HA LYS 29 HA LYS 29 9.686 6.202 -2.391
228 HB2 LYS 29 HB2 LYS 29 8.058 7.142 -0.805
229 HB3 LYS 29 HB1 LYS 29 8.552 5.966 0.404
230 HG2 LYS 29 HG2 LYS 29 10.776 6.946 0.480
231 HG3 LYS 29 HG1 LYS 29 10.321 8.110 -0.764
232 HD2 LYS 29 HD2 LYS 29 10.219 9.135 1.447
233 HD3 LYS 29 HD1 LYS 29 8.605 9.034 0.744
234 HE2 LYS 29 HE2 LYS 29 8.511 8.405 3.070
235 HE3 LYS 29 HE1 LYS 29 8.195 6.988 2.073
236 HZ1 LYS 29 HZ1 LYS 29 10.783 7.654 3.367
237 HZ2 LYS 29 HZ2 LYS 29 10.487 6.288 2.419
238 HZ3 LYS 29 HZ3 LYS 29 9.691 6.481 3.898
239 H GLU 30 HN GLU 30 9.331 3.794 0.211
240 HA GLU 30 HA GLU 30 12.096 3.589 0.767
241 HB2 GLU 30 HB2 GLU 30 9.905 1.558 1.260
242 HB3 GLU 30 HB1 GLU 30 11.502 1.536 1.987
243 HG2 GLU 30 HG2 GLU 30 11.022 3.639 3.128
244 HG3 GLU 30 HG1 GLU 30 9.421 3.671 2.389
245 H LEU 31 HN LEU 31 9.952 1.947 -1.441
246 HA LEU 31 HA LEU 31 11.655 -0.155 -2.219
247 HB2 LEU 31 HB2 LEU 31 9.187 0.026 -2.679
248 HB3 LEU 31 HB1 LEU 31 9.567 1.202 -3.925
249 HG LEU 31 HG LEU 31 10.919 -0.532 -5.084
250 HD11 LEU 31 HD11 LEU 31 11.413 -1.939 -3.162
251 HD12 LEU 31 HD12 LEU 31 10.618 -2.867 -4.433
252 HD13 LEU 31 HD13 LEU 31 9.706 -2.353 -3.014
253 HD21 LEU 31 HD21 LEU 31 8.979 -1.791 -5.914
254 HD22 LEU 31 HD22 LEU 31 8.649 -0.065 -5.777
255 HD23 LEU 31 HD23 LEU 31 8.025 -1.180 -4.564
256 H ALA 32 HN ALA 32 11.171 3.092 -3.535
257 HA ALA 32 HA ALA 32 12.876 2.849 -5.750
258 HB1 ALA 32 HB1 ALA 32 12.867 5.287 -5.795
259 HB2 ALA 32 HB2 ALA 32 12.168 5.316 -4.175
260 HB3 ALA 32 HB3 ALA 32 11.248 4.643 -5.521
261 H ALA 33 HN ALA 33 13.511 3.478 -2.384
262 HA ALA 33 HA ALA 33 16.265 4.210 -2.840
263 HB1 ALA 33 HB1 ALA 33 15.072 5.223 -1.005
264 HB2 ALA 33 HB2 ALA 33 16.398 4.241 -0.380
265 HB3 ALA 33 HB3 ALA 33 14.741 3.638 -0.310
266 H TYR 34 HN TYR 34 14.451 1.332 -2.284
267 HA TYR 34 HA TYR 34 16.662 -0.231 -1.292
268 HB2 TYR 34 HB2 TYR 34 14.337 -0.738 -0.626
269 HB3 TYR 34 HB1 TYR 34 13.939 -1.093 -2.302
270 HD1 TYR 34 HD1 TYR 34 14.177 -3.258 -3.129
271 HD2 TYR 34 HD2 TYR 34 16.157 -2.182 0.475
272 HE1 TYR 34 HE1 TYR 34 14.818 -5.608 -2.791
273 HE2 TYR 34 HE2 TYR 34 16.808 -4.532 0.823
274 HH TYR 34 HH TYR 34 16.491 -6.904 -1.617
275 HN1 NH2 35 HN1 NH2 35 15.115 0.399 -4.341
276 HN2 NH2 35 HN2 NH2 35 16.178 -0.549 -5.320
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 14.863 -0.475 5.677
2 H2 ACE 0 HA2 ACE 0 14.130 -1.016 4.170
3 H3 ACE 0 HA3 ACE 0 15.671 -1.710 4.665
4 HA PRO 1 HA PRO 1 13.810 -3.485 3.138
5 HB2 PRO 1 HB2 PRO 1 12.630 -5.974 3.586
6 HB3 PRO 1 HB1 PRO 1 14.323 -5.721 3.136
7 HG2 PRO 1 HG2 PRO 1 13.133 -6.206 5.813
8 HG3 PRO 1 HG1 PRO 1 14.660 -6.796 5.123
9 HD2 PRO 1 HD2 PRO 1 14.649 -4.789 6.890
10 HD3 PRO 1 HD1 PRO 1 15.768 -4.787 5.510
11 HA PRO 2 HA PRO 2 9.658 -2.060 4.006
12 HB2 PRO 2 HB2 PRO 2 9.114 -1.173 1.495
13 HB3 PRO 2 HB1 PRO 2 10.131 -0.269 2.634
14 HG2 PRO 2 HG2 PRO 2 10.910 -1.955 0.324
15 HG3 PRO 2 HG1 PRO 2 11.634 -0.452 0.929
16 HD2 PRO 2 HD2 PRO 2 12.659 -2.963 1.389
17 HD3 PRO 2 HD1 PRO 2 12.972 -1.550 2.417
18 H LYS 3 HN LYS 3 7.645 -2.872 3.756
19 HA LYS 3 HA LYS 3 7.376 -5.214 1.990
20 HB2 LYS 3 HB2 LYS 3 6.176 -4.633 4.697
21 HB3 LYS 3 HB1 LYS 3 5.592 -5.926 3.661
22 HG2 LYS 3 HG2 LYS 3 7.743 -7.012 3.732
23 HG3 LYS 3 HG1 LYS 3 8.413 -5.677 4.673
24 HD2 LYS 3 HD2 LYS 3 6.972 -6.181 6.523
25 HD3 LYS 3 HD1 LYS 3 6.103 -7.389 5.574
26 HE2 LYS 3 HE2 LYS 3 7.694 -8.416 7.124
27 HE3 LYS 3 HE1 LYS 3 8.101 -8.758 5.446
28 HZ1 LYS 3 HZ1 LYS 3 9.377 -6.660 7.113
29 HZ2 LYS 3 HZ2 LYS 3 9.799 -7.069 5.526
30 HZ3 LYS 3 HZ3 LYS 3 10.045 -8.177 6.780
31 H LYS 4 HN LYS 4 5.509 -5.417 0.736
32 HA LYS 4 HA LYS 4 4.154 -2.906 0.245
33 HB2 LYS 4 HB2 LYS 4 4.974 -4.334 -1.635
34 HB3 LYS 4 HB1 LYS 4 3.810 -5.571 -1.158
35 HG2 LYS 4 HG2 LYS 4 1.980 -3.977 -1.584
36 HG3 LYS 4 HG1 LYS 4 3.166 -2.790 -2.129
37 HD2 LYS 4 HD2 LYS 4 3.890 -4.402 -3.876
38 HD3 LYS 4 HD1 LYS 4 2.580 -5.474 -3.371
39 HE2 LYS 4 HE2 LYS 4 0.951 -3.715 -3.882
40 HE3 LYS 4 HE1 LYS 4 2.257 -2.654 -4.406
41 HZ1 LYS 4 HZ1 LYS 4 1.577 -5.262 -5.646
42 HZ2 LYS 4 HZ2 LYS 4 2.774 -4.193 -6.169
43 HZ3 LYS 4 HZ3 LYS 4 1.147 -3.748 -6.261
44 HA PRO 5 HA PRO 5 0.647 -4.045 2.793
45 HB2 PRO 5 HB2 PRO 5 -1.068 -2.144 1.807
46 HB3 PRO 5 HB1 PRO 5 0.178 -1.804 3.024
47 HG2 PRO 5 HG2 PRO 5 0.248 -1.338 0.082
48 HG3 PRO 5 HG1 PRO 5 0.795 -0.289 1.404
49 HD2 PRO 5 HD2 PRO 5 2.533 -1.745 -0.024
50 HD3 PRO 5 HD1 PRO 5 2.753 -1.467 1.718
51 H LYS 6 HN LYS 6 -1.415 -4.962 2.509
52 HA LYS 6 HA LYS 6 -1.735 -6.447 0.078
53 HB2 LYS 6 HB2 LYS 6 -3.614 -6.165 2.434
54 HB3 LYS 6 HB1 LYS 6 -3.681 -7.417 1.201
55 HG2 LYS 6 HG2 LYS 6 -1.593 -8.338 1.949
56 HG3 LYS 6 HG1 LYS 6 -1.372 -7.008 3.087
57 HD2 LYS 6 HD2 LYS 6 -3.416 -7.716 4.266
58 HD3 LYS 6 HD1 LYS 6 -3.559 -9.083 3.162
59 HE2 LYS 6 HE2 LYS 6 -1.237 -8.555 5.011
60 HE3 LYS 6 HE1 LYS 6 -2.528 -9.720 5.299
61 HZ1 LYS 6 HZ1 LYS 6 -1.842 -10.892 3.288
62 HZ2 LYS 6 HZ2 LYS 6 -0.588 -10.808 4.415
63 HZ3 LYS 6 HZ3 LYS 6 -0.575 -9.792 3.063
64 H LYS 7 HN LYS 7 -2.919 -5.896 -1.667
65 HA LYS 7 HA LYS 7 -4.271 -3.349 -1.644
66 HB2 LYS 7 HB2 LYS 7 -2.872 -4.074 -3.593
67 HB3 LYS 7 HB1 LYS 7 -4.063 -5.325 -3.926
68 HG2 LYS 7 HG2 LYS 7 -5.779 -3.595 -4.254
69 HG3 LYS 7 HG1 LYS 7 -4.556 -2.350 -3.960
70 HD2 LYS 7 HD2 LYS 7 -3.286 -3.165 -5.899
71 HD3 LYS 7 HD1 LYS 7 -4.539 -4.372 -6.201
72 HE2 LYS 7 HE2 LYS 7 -4.948 -1.379 -6.203
73 HE3 LYS 7 HE1 LYS 7 -4.790 -2.387 -7.640
74 HZ1 LYS 7 HZ1 LYS 7 -7.105 -1.906 -7.126
75 HZ2 LYS 7 HZ2 LYS 7 -6.943 -2.626 -5.606
76 HZ3 LYS 7 HZ3 LYS 7 -6.794 -3.564 -7.003
77 HA PRO 8 HA PRO 8 -8.244 -5.344 -1.098
78 HB2 PRO 8 HB2 PRO 8 -9.484 -3.144 -0.141
79 HB3 PRO 8 HB1 PRO 8 -8.379 -4.101 0.859
80 HG2 PRO 8 HG2 PRO 8 -7.991 -1.459 -0.362
81 HG3 PRO 8 HG1 PRO 8 -7.245 -2.169 1.079
82 HD2 PRO 8 HD2 PRO 8 -6.123 -1.965 -1.518
83 HD3 PRO 8 HD1 PRO 8 -5.441 -2.789 -0.097
84 H GLY 9 HN GLY 9 -10.318 -5.082 -2.136
85 HA2 GLY 9 HA2 GLY 9 -10.759 -2.858 -3.900
86 HA3 GLY 9 HA1 GLY 9 -10.380 -4.343 -4.753
87 H ASP 10 HN ASP 10 -11.721 -6.281 -3.945
88 HA ASP 10 HA ASP 10 -14.396 -5.683 -4.634
89 HB2 ASP 10 HB2 ASP 10 -13.311 -8.230 -3.415
90 HB3 ASP 10 HB1 ASP 10 -14.863 -8.053 -4.221
91 H ASN 11 HN ASN 11 -13.216 -7.188 -1.648
92 HA ASN 11 HA ASN 11 -15.703 -6.448 -0.330
93 HB2 ASN 11 HB2 ASN 11 -14.835 -7.929 1.510
94 HB3 ASN 11 HB1 ASN 11 -15.071 -8.736 -0.034
95 HD21 ASN 11 HD21 ASN 11 -12.729 -7.648 2.301
96 HD22 ASN 11 HD22 ASN 11 -11.375 -8.473 1.609
97 H ALA 12 HN ALA 12 -14.108 -4.267 -0.878
98 HA ALA 12 HA ALA 12 -13.394 -3.399 1.818
99 HB1 ALA 12 HB1 ALA 12 -11.652 -2.921 -0.584
100 HB2 ALA 12 HB2 ALA 12 -11.320 -4.079 0.705
101 HB3 ALA 12 HB3 ALA 12 -11.356 -2.352 1.059
102 H THR 13 HN THR 13 -13.072 -0.995 1.882
103 HA THR 13 HA THR 13 -15.125 0.297 0.253
104 HB THR 13 HB THR 13 -14.988 2.104 1.947
105 HG1 THR 13 HG1 THR 13 -13.813 1.352 3.948
106 HG21 THR 13 HG21 THR 13 -16.068 0.879 3.743
107 HG22 THR 13 HG22 THR 13 -15.416 -0.638 3.123
108 HG23 THR 13 HG23 THR 13 -16.598 0.264 2.177
109 HA PRO 14 HA PRO 14 -12.251 2.820 -2.089
110 HB2 PRO 14 HB2 PRO 14 -13.972 5.107 -1.220
111 HB3 PRO 14 HB1 PRO 14 -13.448 4.653 -2.855
112 HG2 PRO 14 HG2 PRO 14 -15.912 4.178 -2.119
113 HG3 PRO 14 HG1 PRO 14 -15.002 2.953 -3.031
114 HD2 PRO 14 HD2 PRO 14 -15.628 3.027 -0.098
115 HD3 PRO 14 HD1 PRO 14 -15.634 1.648 -1.216
116 H GLU 15 HN GLU 15 -13.292 3.855 1.102
117 HA GLU 15 HA GLU 15 -11.235 5.715 1.590
118 HB2 GLU 15 HB2 GLU 15 -12.919 4.105 3.514
119 HB3 GLU 15 HB1 GLU 15 -11.871 5.437 3.980
120 HG2 GLU 15 HG2 GLU 15 -14.266 5.596 2.168
121 HG3 GLU 15 HG1 GLU 15 -14.159 6.184 3.825
122 H LYS 16 HN LYS 16 -11.453 2.241 1.937
123 HA LYS 16 HA LYS 16 -9.053 1.947 3.438
124 HB2 LYS 16 HB2 LYS 16 -10.789 0.214 3.429
125 HB3 LYS 16 HB1 LYS 16 -10.541 -0.037 1.704
126 HG2 LYS 16 HG2 LYS 16 -9.448 -1.793 2.930
127 HG3 LYS 16 HG1 LYS 16 -8.229 -0.764 2.178
128 HD2 LYS 16 HD2 LYS 16 -7.523 -1.281 4.413
129 HD3 LYS 16 HD1 LYS 16 -7.973 0.422 4.348
130 HE2 LYS 16 HE2 LYS 16 -8.828 -0.608 6.377
131 HE3 LYS 16 HE1 LYS 16 -10.158 -0.127 5.324
132 HZ1 LYS 16 HZ1 LYS 16 -10.360 -2.411 4.586
133 HZ2 LYS 16 HZ2 LYS 16 -10.497 -2.328 6.269
134 HZ3 LYS 16 HZ3 LYS 16 -9.060 -2.877 5.563
135 H LEU 17 HN LEU 17 -9.897 1.984 0.034
136 HA LEU 17 HA LEU 17 -7.357 1.286 -0.973
137 HB2 LEU 17 HB2 LEU 17 -9.767 2.614 -2.095
138 HB3 LEU 17 HB1 LEU 17 -8.254 2.810 -2.962
139 HG LEU 17 HG LEU 17 -9.497 0.993 -3.931
140 HD11 LEU 17 HD11 LEU 17 -7.872 -0.804 -3.760
141 HD12 LEU 17 HD12 LEU 17 -7.198 -0.076 -2.304
142 HD13 LEU 17 HD13 LEU 17 -7.068 0.763 -3.849
143 HD21 LEU 17 HD21 LEU 17 -10.884 0.427 -2.001
144 HD22 LEU 17 HD22 LEU 17 -9.482 -0.281 -1.200
145 HD23 LEU 17 HD23 LEU 17 -10.106 -1.000 -2.683
146 H ALA 18 HN ALA 18 -8.783 4.328 0.024
147 HA ALA 18 HA ALA 18 -6.802 6.073 -0.896
148 HB1 ALA 18 HB1 ALA 18 -7.634 7.623 0.771
149 HB2 ALA 18 HB2 ALA 18 -8.454 6.307 1.610
150 HB3 ALA 18 HB3 ALA 18 -8.978 6.784 -0.004
151 H ALA 19 HN ALA 19 -7.119 4.336 2.164
152 HA ALA 19 HA ALA 19 -4.715 5.195 3.323
153 HB1 ALA 19 HB1 ALA 19 -6.519 4.099 4.573
154 HB2 ALA 19 HB2 ALA 19 -4.962 3.307 4.822
155 HB3 ALA 19 HB3 ALA 19 -6.157 2.587 3.742
156 H TYR 20 HN TYR 20 -5.497 2.423 1.263
157 HA TYR 20 HA TYR 20 -2.995 1.178 1.359
158 HB2 TYR 20 HB2 TYR 20 -4.898 0.001 0.436
159 HB3 TYR 20 HB1 TYR 20 -5.049 1.188 -0.855
160 HD1 TYR 20 HD1 TYR 20 -3.850 0.940 -2.865
161 HD2 TYR 20 HD2 TYR 20 -2.802 -1.422 0.507
162 HE1 TYR 20 HE1 TYR 20 -2.335 -0.396 -4.279
163 HE2 TYR 20 HE2 TYR 20 -1.288 -2.765 -0.893
164 HH TYR 20 HH TYR 20 -0.988 -3.348 -3.235
165 H GLU 21 HN GLU 21 -4.261 3.642 -0.851
166 HA GLU 21 HA GLU 21 -2.023 3.734 -2.545
167 HB2 GLU 21 HB2 GLU 21 -4.013 5.902 -1.850
168 HB3 GLU 21 HB1 GLU 21 -2.820 6.035 -3.132
169 HG2 GLU 21 HG2 GLU 21 -3.857 4.033 -4.205
170 HG3 GLU 21 HG1 GLU 21 -5.124 4.101 -2.977
171 H LYS 22 HN LYS 22 -2.692 5.287 0.530
172 HA LYS 22 HA LYS 22 -0.459 7.046 0.451
173 HB2 LYS 22 HB2 LYS 22 -2.554 7.229 1.913
174 HB3 LYS 22 HB1 LYS 22 -1.810 6.028 2.950
175 HG2 LYS 22 HG2 LYS 22 -0.520 8.665 2.277
176 HG3 LYS 22 HG1 LYS 22 -1.563 8.420 3.673
177 HD2 LYS 22 HD2 LYS 22 0.973 6.882 3.129
178 HD3 LYS 22 HD1 LYS 22 0.854 8.274 4.205
179 HE2 LYS 22 HE2 LYS 22 -0.615 5.656 4.512
180 HE3 LYS 22 HE1 LYS 22 0.785 6.171 5.447
181 HZ1 LYS 22 HZ1 LYS 22 -1.242 6.533 6.676
182 HZ2 LYS 22 HZ2 LYS 22 -1.877 7.485 5.434
183 HZ3 LYS 22 HZ3 LYS 22 -0.530 8.021 6.305
184 H GLU 23 HN GLU 23 -1.070 3.870 1.894
185 HA GLU 23 HA GLU 23 1.507 3.476 2.973
186 HB2 GLU 23 HB2 GLU 23 -0.550 1.477 2.010
187 HB3 GLU 23 HB1 GLU 23 0.913 1.038 2.879
188 HG2 GLU 23 HG2 GLU 23 -1.294 2.791 3.939
189 HG3 GLU 23 HG1 GLU 23 -1.049 1.083 4.326
190 H LEU 24 HN LEU 24 0.086 2.837 -0.160
191 HA LEU 24 HA LEU 24 2.221 1.374 -1.272
192 HB2 LEU 24 HB2 LEU 24 -0.104 1.509 -2.195
193 HB3 LEU 24 HB1 LEU 24 0.251 3.141 -2.727
194 HG LEU 24 HG LEU 24 2.058 2.258 -4.176
195 HD11 LEU 24 HD11 LEU 24 2.521 0.214 -2.889
196 HD12 LEU 24 HD12 LEU 24 2.232 -0.114 -4.597
197 HD13 LEU 24 HD13 LEU 24 0.971 -0.447 -3.410
198 HD21 LEU 24 HD21 LEU 24 -0.645 1.010 -4.651
199 HD22 LEU 24 HD22 LEU 24 0.591 1.324 -5.868
200 HD23 LEU 24 HD23 LEU 24 -0.197 2.669 -5.045
201 H ALA 25 HN ALA 25 1.423 4.827 -1.317
202 HA ALA 25 HA ALA 25 3.542 5.671 -2.936
203 HB1 ALA 25 HB1 ALA 25 1.627 7.080 -2.374
204 HB2 ALA 25 HB2 ALA 25 3.150 7.883 -1.991
205 HB3 ALA 25 HB3 ALA 25 2.182 7.164 -0.703
206 H ALA 26 HN ALA 26 3.318 5.169 0.544
207 HA ALA 26 HA ALA 26 5.917 6.090 1.176
208 HB1 ALA 26 HB1 ALA 26 4.155 5.857 2.854
209 HB2 ALA 26 HB2 ALA 26 5.591 4.940 3.303
210 HB3 ALA 26 HB3 ALA 26 4.184 4.107 2.643
211 H TYR 27 HN TYR 27 4.570 2.927 0.419
212 HA TYR 27 HA TYR 27 6.916 1.432 0.806
213 HB2 TYR 27 HB2 TYR 27 4.897 0.213 0.739
214 HB3 TYR 27 HB1 TYR 27 4.413 0.939 -0.795
215 HD1 TYR 27 HD1 TYR 27 6.878 -1.365 0.737
216 HD2 TYR 27 HD2 TYR 27 4.953 -0.086 -2.818
217 HE1 TYR 27 HE1 TYR 27 7.888 -3.253 -0.476
218 HE2 TYR 27 HE2 TYR 27 5.943 -1.969 -4.047
219 HH TYR 27 HH TYR 27 7.840 -3.483 -3.881
220 H GLU 28 HN GLU 28 5.500 2.804 -2.168
221 HA GLU 28 HA GLU 28 7.478 1.813 -3.904
222 HB2 GLU 28 HB2 GLU 28 5.725 4.267 -4.177
223 HB3 GLU 28 HB1 GLU 28 6.709 3.601 -5.471
224 HG2 GLU 28 HG2 GLU 28 5.432 1.513 -5.369
225 HG3 GLU 28 HG1 GLU 28 4.422 2.196 -4.090
226 H LYS 29 HN LYS 29 7.328 4.655 -1.892
227 HA LYS 29 HA LYS 29 9.556 6.030 -2.941
228 HB2 LYS 29 HB2 LYS 29 7.844 7.013 -1.430
229 HB3 LYS 29 HB1 LYS 29 8.481 6.038 -0.114
230 HG2 LYS 29 HG2 LYS 29 10.595 7.206 -0.221
231 HG3 LYS 29 HG1 LYS 29 10.042 8.134 -1.617
232 HD2 LYS 29 HD2 LYS 29 8.860 8.221 1.167
233 HD3 LYS 29 HD1 LYS 29 9.880 9.458 0.429
234 HE2 LYS 29 HE2 LYS 29 8.182 9.814 -1.303
235 HE3 LYS 29 HE1 LYS 29 7.161 8.589 -0.555
236 HZ1 LYS 29 HZ1 LYS 29 7.000 9.943 1.415
237 HZ2 LYS 29 HZ2 LYS 29 6.507 10.834 0.065
238 HZ3 LYS 29 HZ3 LYS 29 8.029 11.108 0.747
239 H GLU 30 HN GLU 30 9.225 3.782 -0.207
240 HA GLU 30 HA GLU 30 12.001 3.676 0.377
241 HB2 GLU 30 HB2 GLU 30 9.751 1.773 1.042
242 HB3 GLU 30 HB1 GLU 30 11.393 1.576 1.623
243 HG2 GLU 30 HG2 GLU 30 11.237 3.749 2.759
244 HG3 GLU 30 HG1 GLU 30 9.568 3.892 2.209
245 H LEU 31 HN LEU 31 9.905 1.892 -1.766
246 HA LEU 31 HA LEU 31 11.586 -0.286 -2.331
247 HB2 LEU 31 HB2 LEU 31 9.170 -0.142 -2.908
248 HB3 LEU 31 HB1 LEU 31 9.567 1.030 -4.152
249 HG LEU 31 HG LEU 31 10.933 -0.695 -5.294
250 HD11 LEU 31 HD11 LEU 31 11.472 -2.070 -3.370
251 HD12 LEU 31 HD12 LEU 31 10.672 -3.033 -4.612
252 HD13 LEU 31 HD13 LEU 31 9.774 -2.509 -3.186
253 HD21 LEU 31 HD21 LEU 31 8.648 -0.290 -5.988
254 HD22 LEU 31 HD22 LEU 31 8.055 -1.411 -4.762
255 HD23 LEU 31 HD23 LEU 31 9.024 -2.010 -6.108
256 H ALA 32 HN ALA 32 11.298 2.899 -3.811
257 HA ALA 32 HA ALA 32 13.044 2.504 -5.961
258 HB1 ALA 32 HB1 ALA 32 11.524 4.398 -5.796
259 HB2 ALA 32 HB2 ALA 32 13.184 4.932 -6.057
260 HB3 ALA 32 HB3 ALA 32 12.465 5.041 -4.451
261 H ALA 33 HN ALA 33 13.634 3.273 -2.601
262 HA ALA 33 HA ALA 33 16.447 3.790 -3.043
263 HB1 ALA 33 HB1 ALA 33 15.279 5.095 -1.385
264 HB2 ALA 33 HB2 ALA 33 16.514 4.107 -0.602
265 HB3 ALA 33 HB3 ALA 33 14.816 3.630 -0.521
266 H TYR 34 HN TYR 34 14.482 1.088 -2.539
267 HA TYR 34 HA TYR 34 16.526 -0.473 -1.181
268 HB2 TYR 34 HB2 TYR 34 14.065 -0.657 -0.616
269 HB3 TYR 34 HB1 TYR 34 13.828 -1.393 -2.197
270 HD1 TYR 34 HD1 TYR 34 15.897 -1.801 0.876
271 HD2 TYR 34 HD2 TYR 34 13.905 -3.699 -2.363
272 HE1 TYR 34 HE1 TYR 34 16.437 -4.000 1.844
273 HE2 TYR 34 HE2 TYR 34 14.433 -5.902 -1.409
274 HH TYR 34 HH TYR 34 16.067 -6.902 0.106
275 HN1 NH2 35 HN1 NH2 35 18.132 -0.604 -2.717
276 HN2 NH2 35 HN2 NH2 35 17.972 -1.520 -4.172
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 15.734 -2.613 1.744
2 H2 ACE 0 HA2 ACE 0 16.188 -1.491 3.021
3 H3 ACE 0 HA3 ACE 0 14.559 -1.411 2.356
4 HA PRO 1 HA PRO 1 13.696 -4.244 1.335
5 HB2 PRO 1 HB2 PRO 1 12.822 -6.557 3.009
6 HB3 PRO 1 HB1 PRO 1 13.310 -6.532 1.305
7 HG2 PRO 1 HG2 PRO 1 14.905 -7.534 3.162
8 HG3 PRO 1 HG1 PRO 1 15.545 -6.607 1.790
9 HD2 PRO 1 HD2 PRO 1 15.220 -5.770 4.635
10 HD3 PRO 1 HD1 PRO 1 16.482 -5.330 3.469
11 HA PRO 2 HA PRO 2 10.434 -2.186 3.626
12 HB2 PRO 2 HB2 PRO 2 9.057 -1.325 1.421
13 HB3 PRO 2 HB1 PRO 2 10.486 -0.503 2.068
14 HG2 PRO 2 HG2 PRO 2 10.237 -2.285 -0.279
15 HG3 PRO 2 HG1 PRO 2 11.284 -0.877 -0.026
16 HD2 PRO 2 HD2 PRO 2 12.130 -3.484 0.146
17 HD3 PRO 2 HD1 PRO 2 12.930 -2.118 0.947
18 H LYS 3 HN LYS 3 8.409 -2.754 4.258
19 HA LYS 3 HA LYS 3 7.392 -5.261 3.195
20 HB2 LYS 3 HB2 LYS 3 7.569 -4.987 5.631
21 HB3 LYS 3 HB1 LYS 3 6.482 -3.609 5.561
22 HG2 LYS 3 HG2 LYS 3 5.334 -5.604 6.339
23 HG3 LYS 3 HG1 LYS 3 4.676 -5.055 4.797
24 HD2 LYS 3 HD2 LYS 3 5.973 -6.755 3.625
25 HD3 LYS 3 HD1 LYS 3 6.683 -7.283 5.151
26 HE2 LYS 3 HE2 LYS 3 3.741 -7.356 4.488
27 HE3 LYS 3 HE1 LYS 3 4.834 -8.735 4.388
28 HZ1 LYS 3 HZ1 LYS 3 4.160 -7.216 6.847
29 HZ2 LYS 3 HZ2 LYS 3 5.257 -8.498 6.770
30 HZ3 LYS 3 HZ3 LYS 3 3.618 -8.767 6.454
31 H LYS 4 HN LYS 4 5.734 -5.411 1.861
32 HA LYS 4 HA LYS 4 4.447 -2.995 0.939
33 HB2 LYS 4 HB2 LYS 4 5.245 -4.759 -0.632
34 HB3 LYS 4 HB1 LYS 4 4.062 -5.867 0.057
35 HG2 LYS 4 HG2 LYS 4 2.246 -4.527 -0.774
36 HG3 LYS 4 HG1 LYS 4 3.368 -3.285 -1.336
37 HD2 LYS 4 HD2 LYS 4 2.633 -4.673 -3.191
38 HD3 LYS 4 HD1 LYS 4 4.357 -4.896 -2.898
39 HE2 LYS 4 HE2 LYS 4 3.821 -6.956 -1.614
40 HE3 LYS 4 HE1 LYS 4 2.125 -6.742 -2.045
41 HZ1 LYS 4 HZ1 LYS 4 3.139 -8.297 -3.536
42 HZ2 LYS 4 HZ2 LYS 4 4.382 -7.216 -3.913
43 HZ3 LYS 4 HZ3 LYS 4 2.797 -6.880 -4.397
44 HA PRO 5 HA PRO 5 1.004 -3.609 3.655
45 HB2 PRO 5 HB2 PRO 5 -0.581 -1.710 2.204
46 HB3 PRO 5 HB1 PRO 5 0.291 -1.465 3.724
47 HG2 PRO 5 HG2 PRO 5 0.906 -0.282 1.310
48 HG3 PRO 5 HG1 PRO 5 1.985 -0.408 2.710
49 HD2 PRO 5 HD2 PRO 5 1.966 -1.973 0.197
50 HD3 PRO 5 HD1 PRO 5 3.318 -1.566 1.274
51 H LYS 6 HN LYS 6 -1.211 -4.286 3.624
52 HA LYS 6 HA LYS 6 -1.766 -6.098 1.464
53 HB2 LYS 6 HB2 LYS 6 -3.422 -5.375 3.885
54 HB3 LYS 6 HB1 LYS 6 -3.717 -6.735 2.812
55 HG2 LYS 6 HG2 LYS 6 -1.638 -7.765 3.497
56 HG3 LYS 6 HG1 LYS 6 -1.256 -6.371 4.509
57 HD2 LYS 6 HD2 LYS 6 -3.284 -6.803 5.827
58 HD3 LYS 6 HD1 LYS 6 -3.607 -8.229 4.842
59 HE2 LYS 6 HE2 LYS 6 -1.515 -9.229 5.586
60 HE3 LYS 6 HE1 LYS 6 -1.155 -7.792 6.543
61 HZ1 LYS 6 HZ1 LYS 6 -2.082 -9.554 7.905
62 HZ2 LYS 6 HZ2 LYS 6 -3.474 -9.599 6.950
63 HZ3 LYS 6 HZ3 LYS 6 -3.126 -8.223 7.870
64 H LYS 7 HN LYS 7 -2.923 -5.652 -0.280
65 HA LYS 7 HA LYS 7 -4.361 -3.153 -0.475
66 HB2 LYS 7 HB2 LYS 7 -3.113 -3.892 -2.441
67 HB3 LYS 7 HB1 LYS 7 -4.001 -5.411 -2.462
68 HG2 LYS 7 HG2 LYS 7 -6.099 -4.089 -2.812
69 HG3 LYS 7 HG1 LYS 7 -5.078 -2.660 -3.032
70 HD2 LYS 7 HD2 LYS 7 -4.054 -3.593 -4.966
71 HD3 LYS 7 HD1 LYS 7 -4.769 -5.178 -4.658
72 HE2 LYS 7 HE2 LYS 7 -6.307 -2.667 -5.332
73 HE3 LYS 7 HE1 LYS 7 -5.931 -3.968 -6.460
74 HZ1 LYS 7 HZ1 LYS 7 -8.177 -4.158 -5.571
75 HZ2 LYS 7 HZ2 LYS 7 -7.571 -4.259 -3.994
76 HZ3 LYS 7 HZ3 LYS 7 -7.230 -5.483 -5.112
77 HA PRO 8 HA PRO 8 -8.273 -4.978 0.839
78 HB2 PRO 8 HB2 PRO 8 -9.263 -2.464 -0.395
79 HB3 PRO 8 HB1 PRO 8 -9.552 -3.110 1.228
80 HG2 PRO 8 HG2 PRO 8 -7.958 -1.026 0.848
81 HG3 PRO 8 HG1 PRO 8 -7.616 -2.257 2.079
82 HD2 PRO 8 HD2 PRO 8 -6.339 -1.849 -0.580
83 HD3 PRO 8 HD1 PRO 8 -5.619 -2.381 0.957
84 H GLY 9 HN GLY 9 -9.901 -6.023 -0.281
85 HA2 GLY 9 HA2 GLY 9 -9.313 -6.478 -3.068
86 HA3 GLY 9 HA1 GLY 9 -10.488 -7.345 -2.094
87 H ASP 10 HN ASP 10 -11.847 -7.207 -3.985
88 HA ASP 10 HA ASP 10 -12.715 -4.639 -4.932
89 HB2 ASP 10 HB2 ASP 10 -14.147 -5.864 -6.433
90 HB3 ASP 10 HB1 ASP 10 -12.582 -6.663 -6.393
91 H ASN 11 HN ASN 11 -13.586 -6.682 -2.366
92 HA ASN 11 HA ASN 11 -16.320 -5.730 -2.181
93 HB2 ASN 11 HB2 ASN 11 -14.687 -7.457 -0.309
94 HB3 ASN 11 HB1 ASN 11 -16.378 -7.046 -0.064
95 HD21 ASN 11 HD21 ASN 11 -17.006 -7.235 -2.914
96 HD22 ASN 11 HD22 ASN 11 -17.036 -8.924 -3.278
97 H ALA 12 HN ALA 12 -13.611 -4.155 -1.737
98 HA ALA 12 HA ALA 12 -14.436 -2.862 0.770
99 HB1 ALA 12 HB1 ALA 12 -12.147 -2.040 0.955
100 HB2 ALA 12 HB2 ALA 12 -11.729 -2.840 -0.561
101 HB3 ALA 12 HB3 ALA 12 -12.184 -3.800 0.848
102 H THR 13 HN THR 13 -14.212 -0.529 0.866
103 HA THR 13 HA THR 13 -15.235 0.672 -1.558
104 HB THR 13 HB THR 13 -15.523 2.690 -0.100
105 HG1 THR 13 HG1 THR 13 -15.298 2.165 2.226
106 HG21 THR 13 HG21 THR 13 -16.712 0.129 0.949
107 HG22 THR 13 HG22 THR 13 -17.326 1.076 -0.405
108 HG23 THR 13 HG23 THR 13 -17.345 1.752 1.223
109 HA PRO 14 HA PRO 14 -11.554 2.779 -2.958
110 HB2 PRO 14 HB2 PRO 14 -13.243 5.245 -2.938
111 HB3 PRO 14 HB1 PRO 14 -12.248 4.573 -4.246
112 HG2 PRO 14 HG2 PRO 14 -14.856 4.338 -4.350
113 HG3 PRO 14 HG1 PRO 14 -13.811 2.972 -4.805
114 HD2 PRO 14 HD2 PRO 14 -15.373 3.382 -2.281
115 HD3 PRO 14 HD1 PRO 14 -15.114 1.896 -3.215
116 H GLU 15 HN GLU 15 -13.458 4.016 -0.323
117 HA GLU 15 HA GLU 15 -11.649 5.914 0.701
118 HB2 GLU 15 HB2 GLU 15 -13.661 4.254 2.229
119 HB3 GLU 15 HB1 GLU 15 -12.933 5.758 2.768
120 HG2 GLU 15 HG2 GLU 15 -14.024 6.909 0.874
121 HG3 GLU 15 HG1 GLU 15 -14.822 5.395 0.460
122 H LYS 16 HN LYS 16 -11.950 2.445 1.060
123 HA LYS 16 HA LYS 16 -10.005 2.289 3.171
124 HB2 LYS 16 HB2 LYS 16 -11.920 0.684 2.871
125 HB3 LYS 16 HB1 LYS 16 -11.098 0.058 1.447
126 HG2 LYS 16 HG2 LYS 16 -10.666 -1.392 3.309
127 HG3 LYS 16 HG1 LYS 16 -9.173 -0.553 2.882
128 HD2 LYS 16 HD2 LYS 16 -9.412 -0.598 5.284
129 HD3 LYS 16 HD1 LYS 16 -9.603 1.058 4.711
130 HE2 LYS 16 HE2 LYS 16 -11.258 0.507 6.423
131 HE3 LYS 16 HE1 LYS 16 -12.026 0.850 4.876
132 HZ1 LYS 16 HZ1 LYS 16 -12.271 -1.511 4.499
133 HZ2 LYS 16 HZ2 LYS 16 -12.983 -1.091 5.971
134 HZ3 LYS 16 HZ3 LYS 16 -11.482 -1.863 5.952
135 H LEU 17 HN LEU 17 -10.106 1.944 -0.303
136 HA LEU 17 HA LEU 17 -7.477 0.979 -0.667
137 HB2 LEU 17 HB2 LEU 17 -9.461 2.365 -2.405
138 HB3 LEU 17 HB1 LEU 17 -7.795 2.290 -2.944
139 HG LEU 17 HG LEU 17 -9.070 0.504 -3.955
140 HD11 LEU 17 HD11 LEU 17 -6.754 0.028 -3.437
141 HD12 LEU 17 HD12 LEU 17 -7.735 -1.425 -3.250
142 HD13 LEU 17 HD13 LEU 17 -7.206 -0.530 -1.828
143 HD21 LEU 17 HD21 LEU 17 -9.707 -0.380 -1.146
144 HD22 LEU 17 HD22 LEU 17 -10.083 -1.277 -2.616
145 HD23 LEU 17 HD23 LEU 17 -10.845 0.285 -2.316
146 H ALA 18 HN ALA 18 -8.807 4.156 -0.141
147 HA ALA 18 HA ALA 18 -6.640 5.745 -0.853
148 HB1 ALA 18 HB1 ALA 18 -8.594 6.170 1.398
149 HB2 ALA 18 HB2 ALA 18 -8.839 6.638 -0.285
150 HB3 ALA 18 HB3 ALA 18 -7.571 7.408 0.669
151 H ALA 19 HN ALA 19 -7.308 3.968 2.103
152 HA ALA 19 HA ALA 19 -5.103 4.879 3.597
153 HB1 ALA 19 HB1 ALA 19 -6.520 2.229 3.765
154 HB2 ALA 19 HB2 ALA 19 -7.011 3.709 4.589
155 HB3 ALA 19 HB3 ALA 19 -5.481 2.935 5.002
156 H TYR 20 HN TYR 20 -5.559 2.058 1.502
157 HA TYR 20 HA TYR 20 -2.988 0.979 1.805
158 HB2 TYR 20 HB2 TYR 20 -4.694 -0.386 0.817
159 HB3 TYR 20 HB1 TYR 20 -4.965 0.784 -0.468
160 HD1 TYR 20 HD1 TYR 20 -3.918 0.490 -2.512
161 HD2 TYR 20 HD2 TYR 20 -2.296 -1.414 0.921
162 HE1 TYR 20 HE1 TYR 20 -2.289 -0.678 -3.942
163 HE2 TYR 20 HE2 TYR 20 -0.663 -2.594 -0.498
164 HH TYR 20 HH TYR 20 -0.400 -3.283 -2.815
165 H GLU 21 HN GLU 21 -4.295 3.219 -0.616
166 HA GLU 21 HA GLU 21 -1.936 3.435 -2.127
167 HB2 GLU 21 HB2 GLU 21 -4.246 5.352 -1.796
168 HB3 GLU 21 HB1 GLU 21 -2.953 5.581 -2.962
169 HG2 GLU 21 HG2 GLU 21 -3.559 3.465 -4.047
170 HG3 GLU 21 HG1 GLU 21 -4.860 3.249 -2.875
171 H LYS 22 HN LYS 22 -2.954 5.020 0.819
172 HA LYS 22 HA LYS 22 -0.938 7.016 0.842
173 HB2 LYS 22 HB2 LYS 22 -2.823 7.267 2.309
174 HB3 LYS 22 HB1 LYS 22 -2.508 5.711 3.067
175 HG2 LYS 22 HG2 LYS 22 -0.311 6.677 3.857
176 HG3 LYS 22 HG1 LYS 22 -0.911 8.248 3.323
177 HD2 LYS 22 HD2 LYS 22 -2.735 8.154 4.864
178 HD3 LYS 22 HD1 LYS 22 -2.379 6.473 5.267
179 HE2 LYS 22 HE2 LYS 22 -0.674 8.884 5.888
180 HE3 LYS 22 HE1 LYS 22 -1.590 7.915 7.037
181 HZ1 LYS 22 HZ1 LYS 22 0.813 7.117 5.505
182 HZ2 LYS 22 HZ2 LYS 22 -0.169 5.988 6.292
183 HZ3 LYS 22 HZ3 LYS 22 0.629 7.192 7.183
184 H GLU 23 HN GLU 23 -1.162 3.770 2.252
185 HA GLU 23 HA GLU 23 1.459 3.829 3.368
186 HB2 GLU 23 HB2 GLU 23 -0.284 1.443 2.717
187 HB3 GLU 23 HB1 GLU 23 1.122 1.436 3.777
188 HG2 GLU 23 HG2 GLU 23 -1.512 2.821 4.237
189 HG3 GLU 23 HG1 GLU 23 -0.848 1.443 5.120
190 H LEU 24 HN LEU 24 0.077 2.874 0.333
191 HA LEU 24 HA LEU 24 2.261 1.465 -0.755
192 HB2 LEU 24 HB2 LEU 24 -0.048 1.500 -1.700
193 HB3 LEU 24 HB1 LEU 24 0.222 3.155 -2.214
194 HG LEU 24 HG LEU 24 2.081 2.374 -3.661
195 HD11 LEU 24 HD11 LEU 24 1.092 -0.379 -2.931
196 HD12 LEU 24 HD12 LEU 24 2.624 0.331 -2.422
197 HD13 LEU 24 HD13 LEU 24 2.327 0.009 -4.129
198 HD21 LEU 24 HD21 LEU 24 -0.573 1.041 -4.176
199 HD22 LEU 24 HD22 LEU 24 0.660 1.417 -5.379
200 HD23 LEU 24 HD23 LEU 24 -0.179 2.721 -4.538
201 H ALA 25 HN ALA 25 1.405 4.882 -0.700
202 HA ALA 25 HA ALA 25 3.382 5.841 -2.416
203 HB1 ALA 25 HB1 ALA 25 1.494 7.179 -1.638
204 HB2 ALA 25 HB2 ALA 25 3.027 7.997 -1.334
205 HB3 ALA 25 HB3 ALA 25 2.176 7.195 -0.012
206 H ALA 26 HN ALA 26 3.446 5.232 1.058
207 HA ALA 26 HA ALA 26 6.093 6.172 1.464
208 HB1 ALA 26 HB1 ALA 26 4.433 4.263 3.099
209 HB2 ALA 26 HB2 ALA 26 4.527 6.013 3.304
210 HB3 ALA 26 HB3 ALA 26 5.941 5.010 3.623
211 H TYR 27 HN TYR 27 4.670 3.042 0.746
212 HA TYR 27 HA TYR 27 7.012 1.499 1.022
213 HB2 TYR 27 HB2 TYR 27 4.893 0.381 1.006
214 HB3 TYR 27 HB1 TYR 27 4.489 1.049 -0.576
215 HD1 TYR 27 HD1 TYR 27 6.671 -1.335 1.192
216 HD2 TYR 27 HD2 TYR 27 5.215 -0.003 -2.567
217 HE1 TYR 27 HE1 TYR 27 7.662 -3.316 0.117
218 HE2 TYR 27 HE2 TYR 27 6.192 -1.980 -3.657
219 HH TYR 27 HH TYR 27 7.418 -4.645 -1.869
220 H GLU 28 HN GLU 28 5.501 3.028 -1.797
221 HA GLU 28 HA GLU 28 7.319 2.125 -3.727
222 HB2 GLU 28 HB2 GLU 28 5.602 4.608 -3.610
223 HB3 GLU 28 HB1 GLU 28 6.544 4.160 -5.023
224 HG2 GLU 28 HG2 GLU 28 4.400 2.437 -3.785
225 HG3 GLU 28 HG1 GLU 28 4.171 3.506 -5.173
226 H LYS 29 HN LYS 29 7.467 4.777 -1.469
227 HA LYS 29 HA LYS 29 9.675 6.145 -2.576
228 HB2 LYS 29 HB2 LYS 29 8.151 7.062 -0.829
229 HB3 LYS 29 HB1 LYS 29 8.853 5.942 0.329
230 HG2 LYS 29 HG2 LYS 29 11.042 7.011 0.018
231 HG3 LYS 29 HG1 LYS 29 10.313 8.160 -1.104
232 HD2 LYS 29 HD2 LYS 29 9.664 7.831 1.829
233 HD3 LYS 29 HD1 LYS 29 10.517 9.180 1.079
234 HE2 LYS 29 HE2 LYS 29 8.510 9.766 -0.179
235 HE3 LYS 29 HE1 LYS 29 7.657 8.393 0.524
236 HZ1 LYS 29 HZ1 LYS 29 8.711 10.738 2.005
237 HZ2 LYS 29 HZ2 LYS 29 7.955 9.402 2.711
238 HZ3 LYS 29 HZ3 LYS 29 7.083 10.410 1.675
239 H GLU 30 HN GLU 30 9.413 3.660 -0.060
240 HA GLU 30 HA GLU 30 12.192 3.377 0.382
241 HB2 GLU 30 HB2 GLU 30 9.987 1.361 0.846
242 HB3 GLU 30 HB1 GLU 30 11.605 1.296 1.526
243 HG2 GLU 30 HG2 GLU 30 9.535 3.401 2.075
244 HG3 GLU 30 HG1 GLU 30 10.001 2.088 3.154
245 H LEU 31 HN LEU 31 9.911 1.849 -1.791
246 HA LEU 31 HA LEU 31 11.508 -0.281 -2.680
247 HB2 LEU 31 HB2 LEU 31 9.040 0.013 -3.077
248 HB3 LEU 31 HB1 LEU 31 9.433 1.220 -4.288
249 HG LEU 31 HG LEU 31 10.668 -0.517 -5.561
250 HD11 LEU 31 HD11 LEU 31 9.487 -2.358 -3.492
251 HD12 LEU 31 HD12 LEU 31 11.200 -2.014 -3.732
252 HD13 LEU 31 HD13 LEU 31 10.288 -2.866 -4.979
253 HD21 LEU 31 HD21 LEU 31 8.661 -1.672 -6.371
254 HD22 LEU 31 HD22 LEU 31 8.382 0.054 -6.140
255 HD23 LEU 31 HD23 LEU 31 7.774 -1.102 -4.956
256 H ALA 32 HN ALA 32 11.161 3.027 -3.850
257 HA ALA 32 HA ALA 32 12.805 2.812 -6.108
258 HB1 ALA 32 HB1 ALA 32 12.935 5.252 -5.999
259 HB2 ALA 32 HB2 ALA 32 12.243 5.210 -4.378
260 HB3 ALA 32 HB3 ALA 32 11.289 4.672 -5.758
261 H ALA 33 HN ALA 33 13.540 3.297 -2.723
262 HA ALA 33 HA ALA 33 16.307 3.944 -3.194
263 HB1 ALA 33 HB1 ALA 33 14.860 3.264 -0.643
264 HB2 ALA 33 HB2 ALA 33 15.131 4.883 -1.283
265 HB3 ALA 33 HB3 ALA 33 16.500 3.902 -0.758
266 H TYR 34 HN TYR 34 14.412 1.096 -2.601
267 HA TYR 34 HA TYR 34 16.728 -0.533 -1.957
268 HB2 TYR 34 HB2 TYR 34 14.460 -0.853 -0.873
269 HB3 TYR 34 HB1 TYR 34 13.884 -1.455 -2.425
270 HD1 TYR 34 HD1 TYR 34 13.772 -3.753 -2.596
271 HD2 TYR 34 HD2 TYR 34 16.817 -2.028 -0.185
272 HE1 TYR 34 HE1 TYR 34 14.585 -6.002 -2.020
273 HE2 TYR 34 HE2 TYR 34 17.640 -4.270 0.398
274 HH TYR 34 HH TYR 34 16.964 -6.519 0.454
275 HN1 NH2 35 HN1 NH2 35 17.609 0.175 -4.109
276 HN2 NH2 35 HN2 NH2 35 17.268 -0.834 -5.469