Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616340 | 5lo4 RC | 34033 | 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 13.536 -3.601 3.073
2 H2 ACE 0 HA2 ACE 0 14.952 -4.639 3.226
3 H3 ACE 0 HA3 ACE 0 14.429 -3.697 4.619
4 HA PRO 1 HA PRO 1 12.655 -5.356 1.394
5 HB2 PRO 1 HB2 PRO 1 10.997 -7.815 1.676
6 HB3 PRO 1 HB1 PRO 1 12.048 -7.313 0.337
7 HG2 PRO 1 HG2 PRO 1 12.770 -9.266 1.973
8 HG3 PRO 1 HG1 PRO 1 13.954 -8.101 1.341
9 HD2 PRO 1 HD2 PRO 1 12.729 -8.257 4.059
10 HD3 PRO 1 HD1 PRO 1 14.378 -7.796 3.583
11 HA PRO 2 HA PRO 2 9.021 -3.266 3.089
12 HB2 PRO 2 HB2 PRO 2 8.686 -2.634 0.196
13 HB3 PRO 2 HB1 PRO 2 8.701 -1.537 1.588
14 HG2 PRO 2 HG2 PRO 2 10.752 -1.676 -0.085
15 HG3 PRO 2 HG1 PRO 2 10.982 -1.425 1.656
16 HD2 PRO 2 HD2 PRO 2 11.437 -3.870 0.026
17 HD3 PRO 2 HD1 PRO 2 12.298 -3.293 1.467
18 H THR 3 HN THR 3 7.423 -4.683 3.596
19 HA THR 3 HA THR 3 6.350 -6.449 1.547
20 HB THR 3 HB THR 3 4.934 -7.276 3.529
21 HG1 THR 3 HG1 THR 3 5.631 -5.256 4.749
22 HG21 THR 3 HG21 THR 3 6.874 -8.486 2.624
23 HG22 THR 3 HG22 THR 3 6.757 -8.656 4.375
24 HG23 THR 3 HG23 THR 3 7.941 -7.555 3.673
25 H LYS 4 HN LYS 4 4.676 -5.863 0.350
26 HA LYS 4 HA LYS 4 3.079 -3.579 1.171
27 HB2 LYS 4 HB2 LYS 4 2.241 -3.512 -1.068
28 HB3 LYS 4 HB1 LYS 4 3.967 -3.832 -1.183
29 HG2 LYS 4 HG2 LYS 4 3.566 -6.147 -1.628
30 HG3 LYS 4 HG1 LYS 4 1.837 -5.945 -1.340
31 HD2 LYS 4 HD2 LYS 4 1.783 -4.339 -3.250
32 HD3 LYS 4 HD1 LYS 4 3.469 -4.747 -3.577
33 HE2 LYS 4 HE2 LYS 4 1.154 -6.680 -3.582
34 HE3 LYS 4 HE1 LYS 4 1.930 -6.002 -5.011
35 HZ1 LYS 4 HZ1 LYS 4 3.967 -7.109 -4.421
36 HZ2 LYS 4 HZ2 LYS 4 2.715 -8.243 -4.475
37 HZ3 LYS 4 HZ3 LYS 4 3.289 -7.693 -2.985
38 HA PRO 5 HA PRO 5 -0.502 -5.995 2.363
39 HB2 PRO 5 HB2 PRO 5 -2.451 -4.185 1.793
40 HB3 PRO 5 HB1 PRO 5 -1.379 -4.016 3.196
41 HG2 PRO 5 HG2 PRO 5 -1.224 -2.676 0.540
42 HG3 PRO 5 HG1 PRO 5 -0.986 -1.995 2.162
43 HD2 PRO 5 HD2 PRO 5 1.068 -2.666 0.544
44 HD3 PRO 5 HD1 PRO 5 1.169 -2.772 2.315
45 H THR 6 HN THR 6 -2.505 -6.879 1.400
46 HA THR 6 HA THR 6 -2.097 -7.401 -1.427
47 HB THR 6 HB THR 6 -2.634 -9.233 0.231
48 HG1 THR 6 HG1 THR 6 -2.962 -9.360 -2.119
49 HG21 THR 6 HG21 THR 6 -5.405 -8.057 0.037
50 HG22 THR 6 HG22 THR 6 -4.395 -8.082 1.482
51 HG23 THR 6 HG23 THR 6 -4.987 -9.593 0.793
52 H LYS 7 HN LYS 7 -3.887 -7.344 -2.934
53 HA LYS 7 HA LYS 7 -5.100 -4.802 -3.031
54 HB2 LYS 7 HB2 LYS 7 -5.814 -7.255 -4.642
55 HB3 LYS 7 HB1 LYS 7 -6.179 -5.590 -5.065
56 HG2 LYS 7 HG2 LYS 7 -3.413 -6.766 -4.842
57 HG3 LYS 7 HG1 LYS 7 -4.292 -6.500 -6.346
58 HD2 LYS 7 HD2 LYS 7 -3.477 -4.346 -4.389
59 HD3 LYS 7 HD1 LYS 7 -2.640 -4.731 -5.893
60 HE2 LYS 7 HE2 LYS 7 -5.513 -3.835 -5.709
61 HE3 LYS 7 HE1 LYS 7 -4.154 -2.773 -6.063
62 HZ1 LYS 7 HZ1 LYS 7 -4.939 -5.122 -7.698
63 HZ2 LYS 7 HZ2 LYS 7 -3.705 -4.022 -8.052
64 HZ3 LYS 7 HZ3 LYS 7 -5.318 -3.515 -8.066
65 HA PRO 8 HA PRO 8 -8.587 -5.549 -0.330
66 HB2 PRO 8 HB2 PRO 8 -9.600 -3.152 -1.785
67 HB3 PRO 8 HB1 PRO 8 -9.456 -3.438 -0.037
68 HG2 PRO 8 HG2 PRO 8 -7.781 -1.816 -1.292
69 HG3 PRO 8 HG1 PRO 8 -7.215 -2.887 0.007
70 HD2 PRO 8 HD2 PRO 8 -6.878 -3.162 -2.949
71 HD3 PRO 8 HD1 PRO 8 -5.756 -3.578 -1.634
72 H GLY 9 HN GLY 9 -10.224 -6.884 -0.656
73 HA2 GLY 9 HA2 GLY 9 -11.414 -7.048 -3.336
74 HA3 GLY 9 HA1 GLY 9 -11.519 -8.285 -2.092
75 H ASP 10 HN ASP 10 -12.723 -7.634 -0.095
76 HA ASP 10 HA ASP 10 -15.212 -6.338 -0.882
77 HB2 ASP 10 HB2 ASP 10 -16.190 -7.341 1.039
78 HB3 ASP 10 HB1 ASP 10 -15.122 -8.561 0.357
79 H ASN 11 HN ASN 11 -12.379 -5.744 0.922
80 HA ASN 11 HA ASN 11 -13.486 -3.551 2.450
81 HB2 ASN 11 HB2 ASN 11 -11.144 -3.266 3.259
82 HB3 ASN 11 HB1 ASN 11 -11.802 -4.870 3.553
83 HD21 ASN 11 HD21 ASN 11 -9.025 -3.897 3.332
84 HD22 ASN 11 HD22 ASN 11 -8.285 -4.873 2.118
85 H ALA 12 HN ALA 12 -13.037 -3.766 -0.624
86 HA ALA 12 HA ALA 12 -11.273 -1.582 -1.219
87 HB1 ALA 12 HB1 ALA 12 -13.191 -3.055 -3.015
88 HB2 ALA 12 HB2 ALA 12 -11.510 -3.502 -2.725
89 HB3 ALA 12 HB3 ALA 12 -11.893 -1.979 -3.530
90 H THR 13 HN THR 13 -13.713 -1.104 0.459
91 HA THR 13 HA THR 13 -15.585 0.431 -0.977
92 HB THR 13 HB THR 13 -15.941 1.534 1.320
93 HG1 THR 13 HG1 THR 13 -14.367 1.104 2.674
94 HG21 THR 13 HG21 THR 13 -17.086 -0.455 2.183
95 HG22 THR 13 HG22 THR 13 -16.208 -1.456 1.027
96 HG23 THR 13 HG23 THR 13 -17.359 -0.249 0.453
97 HA PRO 14 HA PRO 14 -13.509 3.859 -2.632
98 HB2 PRO 14 HB2 PRO 14 -15.605 5.435 -1.173
99 HB3 PRO 14 HB1 PRO 14 -15.055 5.582 -2.854
100 HG2 PRO 14 HG2 PRO 14 -17.320 4.321 -2.212
101 HG3 PRO 14 HG1 PRO 14 -16.297 3.813 -3.573
102 HD2 PRO 14 HD2 PRO 14 -16.781 2.459 -1.013
103 HD3 PRO 14 HD1 PRO 14 -16.112 1.809 -2.517
104 H GLU 15 HN GLU 15 -14.624 4.599 0.693
105 HA GLU 15 HA GLU 15 -12.681 6.615 1.084
106 HB2 GLU 15 HB2 GLU 15 -14.504 5.127 2.937
107 HB3 GLU 15 HB1 GLU 15 -13.280 6.214 3.574
108 HG2 GLU 15 HG2 GLU 15 -15.366 7.368 3.427
109 HG3 GLU 15 HG1 GLU 15 -14.261 8.042 2.237
110 H LYS 16 HN LYS 16 -12.773 3.212 2.014
111 HA LYS 16 HA LYS 16 -10.298 3.389 3.467
112 HB2 LYS 16 HB2 LYS 16 -12.199 1.812 4.016
113 HB3 LYS 16 HB1 LYS 16 -11.749 0.887 2.586
114 HG2 LYS 16 HG2 LYS 16 -9.618 0.354 3.528
115 HG3 LYS 16 HG1 LYS 16 -9.890 1.449 4.886
116 HD2 LYS 16 HD2 LYS 16 -11.877 0.038 5.494
117 HD3 LYS 16 HD1 LYS 16 -11.346 -1.118 4.271
118 HE2 LYS 16 HE2 LYS 16 -9.253 -1.443 5.435
119 HE3 LYS 16 HE1 LYS 16 -9.677 -0.196 6.606
120 HZ1 LYS 16 HZ1 LYS 16 -11.578 -1.589 7.274
121 HZ2 LYS 16 HZ2 LYS 16 -10.091 -2.340 7.550
122 HZ3 LYS 16 HZ3 LYS 16 -11.039 -2.808 6.231
123 H LEU 17 HN LEU 17 -11.355 2.564 0.278
124 HA LEU 17 HA LEU 17 -9.018 1.302 -0.673
125 HB2 LEU 17 HB2 LEU 17 -11.251 1.276 -1.778
126 HB3 LEU 17 HB1 LEU 17 -11.023 2.963 -2.197
127 HG LEU 17 HG LEU 17 -9.100 2.345 -3.606
128 HD11 LEU 17 HD11 LEU 17 -8.732 -0.041 -4.114
129 HD12 LEU 17 HD12 LEU 17 -9.864 -0.467 -2.829
130 HD13 LEU 17 HD13 LEU 17 -8.357 0.361 -2.440
131 HD21 LEU 17 HD21 LEU 17 -11.333 2.501 -4.569
132 HD22 LEU 17 HD22 LEU 17 -11.627 0.807 -4.173
133 HD23 LEU 17 HD23 LEU 17 -10.392 1.235 -5.359
134 H ALA 18 HN ALA 18 -10.022 4.641 -0.378
135 HA ALA 18 HA ALA 18 -7.883 5.811 -1.808
136 HB1 ALA 18 HB1 ALA 18 -9.573 6.971 0.404
137 HB2 ALA 18 HB2 ALA 18 -9.956 7.008 -1.316
138 HB3 ALA 18 HB3 ALA 18 -8.553 7.887 -0.707
139 H LYS 19 HN LYS 19 -8.401 5.089 1.621
140 HA LYS 19 HA LYS 19 -5.957 6.033 2.606
141 HB2 LYS 19 HB2 LYS 19 -7.716 5.410 4.144
142 HB3 LYS 19 HB1 LYS 19 -7.696 3.750 3.564
143 HG2 LYS 19 HG2 LYS 19 -5.432 3.466 4.433
144 HG3 LYS 19 HG1 LYS 19 -5.453 5.125 5.029
145 HD2 LYS 19 HD2 LYS 19 -7.261 4.601 6.546
146 HD3 LYS 19 HD1 LYS 19 -7.381 2.967 5.887
147 HE2 LYS 19 HE2 LYS 19 -5.134 2.467 6.671
148 HE3 LYS 19 HE1 LYS 19 -4.960 4.111 7.274
149 HZ1 LYS 19 HZ1 LYS 19 -6.952 2.136 8.250
150 HZ2 LYS 19 HZ2 LYS 19 -6.717 3.697 8.858
151 HZ3 LYS 19 HZ3 LYS 19 -5.505 2.533 9.030
152 HA 4PH 20 HA 4PH 20 -4.479 1.556 1.614
153 HB2 4PH 20 HB1 4PH 20 -6.474 1.318 -0.649
154 HB3 4PH 20 HB2 4PH 20 -6.521 0.436 0.869
155 HD2 4PH 20 HD2 4PH 20 -4.589 -1.135 1.387
156 HD1 4PH 20 HD1 4PH 20 -5.353 0.447 -2.482
157 HE2 4PH 20 HE2 4PH 20 -3.226 -2.920 0.394
158 HE1 4PH 20 HE1 4PH 20 -3.992 -1.337 -3.489
159 H33 4PH 20 H33 4PH 20 -1.914 -3.453 -1.476
160 H33A 4PH 20 H33A 4PH 20 -3.286 -4.089 -2.382
161 H33B 4PH 20 H33B 4PH 20 -2.272 -2.821 -3.081
162 H 4PH 20 HN 4PH 20 -6.875 2.927 1.211
163 H GLN 21 HN GLN 21 -5.524 3.503 -1.198
164 HA GLN 21 HA GLN 21 -3.151 3.266 -2.667
165 HB2 GLN 21 HB2 GLN 21 -5.224 5.457 -2.596
166 HB3 GLN 21 HB1 GLN 21 -3.891 5.435 -3.741
167 HG2 GLN 21 HG2 GLN 21 -5.908 3.225 -3.470
168 HG3 GLN 21 HG1 GLN 21 -6.048 4.555 -4.620
169 HE21 GLN 21 HE21 GLN 21 -4.258 1.680 -3.766
170 HE22 GLN 21 HE22 GLN 21 -3.453 1.496 -5.281
171 H ALA 22 HN ALA 22 -4.018 5.409 -0.037
172 HA ALA 22 HA ALA 22 -1.802 7.163 -0.277
173 HB1 ALA 22 HB1 ALA 22 -3.491 6.530 2.136
174 HB2 ALA 22 HB2 ALA 22 -3.844 7.765 0.928
175 HB3 ALA 22 HB3 ALA 22 -2.418 7.918 1.954
176 H ASP 23 HN ASP 23 -2.419 4.224 1.562
177 HA ASP 23 HA ASP 23 0.053 4.285 2.981
178 HB2 ASP 23 HB2 ASP 23 -1.948 3.031 3.771
179 HB3 ASP 23 HB1 ASP 23 -1.736 1.900 2.436
180 H LEU 24 HN LEU 24 -0.996 2.905 -0.077
181 HA LEU 24 HA LEU 24 1.344 1.418 -0.602
182 HB2 LEU 24 HB2 LEU 24 -0.883 2.467 -2.266
183 HB3 LEU 24 HB1 LEU 24 0.585 1.966 -3.086
184 HG LEU 24 HG LEU 24 -1.242 0.230 -2.943
185 HD11 LEU 24 HD11 LEU 24 0.284 -1.590 -2.512
186 HD12 LEU 24 HD12 LEU 24 1.384 -0.507 -1.661
187 HD13 LEU 24 HD13 LEU 24 1.123 -0.311 -3.393
188 HD21 LEU 24 HD21 LEU 24 -1.481 -0.989 -0.854
189 HD22 LEU 24 HD22 LEU 24 -1.959 0.698 -0.654
190 HD23 LEU 24 HD23 LEU 24 -0.395 0.146 -0.052
191 H ALA 25 HN ALA 25 0.561 4.797 -0.963
192 HA ALA 25 HA ALA 25 2.736 5.566 -2.567
193 HB1 ALA 25 HB1 ALA 25 1.374 7.146 -0.389
194 HB2 ALA 25 HB2 ALA 25 0.852 7.047 -2.069
195 HB3 ALA 25 HB3 ALA 25 2.393 7.804 -1.669
196 H LYS 26 HN LYS 26 2.427 5.052 0.905
197 HA LYS 26 HA LYS 26 5.040 5.929 1.581
198 HB2 LYS 26 HB2 LYS 26 3.022 4.180 2.977
199 HB3 LYS 26 HB1 LYS 26 4.618 4.459 3.655
200 HG2 LYS 26 HG2 LYS 26 2.668 6.649 2.970
201 HG3 LYS 26 HG1 LYS 26 2.847 5.936 4.574
202 HD2 LYS 26 HD2 LYS 26 5.190 6.638 4.625
203 HD3 LYS 26 HD1 LYS 26 5.017 7.345 3.020
204 HE2 LYS 26 HE2 LYS 26 3.500 8.187 5.486
205 HE3 LYS 26 HE1 LYS 26 4.877 9.035 4.790
206 HZ1 LYS 26 HZ1 LYS 26 3.560 9.343 2.755
207 HZ2 LYS 26 HZ2 LYS 26 2.850 10.078 4.098
208 HZ3 LYS 26 HZ3 LYS 26 2.232 8.622 3.512
209 HA 4PH 27 HA 4PH 27 5.932 1.237 1.159
210 HB2 4PH 27 HB1 4PH 27 3.477 0.909 -0.550
211 HB3 4PH 27 HB2 4PH 27 3.880 0.084 0.947
212 HD2 4PH 27 HD2 4PH 27 3.717 -0.229 -2.517
213 HD1 4PH 27 HD1 4PH 27 6.073 -1.395 0.826
214 HE2 4PH 27 HE2 4PH 27 4.608 -2.118 -3.805
215 HE1 4PH 27 HE1 4PH 27 6.968 -3.286 -0.464
216 H33 4PH 27 H33 4PH 27 6.374 -3.630 -3.981
217 H33A 4PH 27 H33A 4PH 27 7.336 -4.126 -2.585
218 H33B 4PH 27 H33B 4PH 27 5.692 -4.738 -2.797
219 H 4PH 27 HN 4PH 27 3.639 2.815 0.752
220 H GLN 28 HN GLN 28 4.688 2.831 -1.773
221 HA GLN 28 HA GLN 28 6.745 1.926 -3.474
222 HB2 GLN 28 HB2 GLN 28 4.888 4.298 -3.653
223 HB3 GLN 28 HB1 GLN 28 6.037 3.888 -4.922
224 HG2 GLN 28 HG2 GLN 28 4.959 1.737 -5.247
225 HG3 GLN 28 HG1 GLN 28 3.857 2.062 -3.910
226 HE21 GLN 28 HE21 GLN 28 2.074 1.813 -5.271
227 HE22 GLN 28 HE22 GLN 28 1.619 3.035 -6.404
228 H LYS 29 HN LYS 29 6.499 4.706 -1.352
229 HA LYS 29 HA LYS 29 8.808 6.072 -2.238
230 HB2 LYS 29 HB2 LYS 29 7.162 7.174 -0.821
231 HB3 LYS 29 HB1 LYS 29 7.460 6.025 0.473
232 HG2 LYS 29 HG2 LYS 29 9.751 6.881 0.688
233 HG3 LYS 29 HG1 LYS 29 9.414 8.061 -0.581
234 HD2 LYS 29 HD2 LYS 29 7.681 9.073 0.785
235 HD3 LYS 29 HD1 LYS 29 7.920 7.850 2.033
236 HE2 LYS 29 HE2 LYS 29 10.012 9.823 1.117
237 HE3 LYS 29 HE1 LYS 29 9.017 10.005 2.562
238 HZ1 LYS 29 HZ1 LYS 29 10.932 7.791 2.052
239 HZ2 LYS 29 HZ2 LYS 29 9.985 7.971 3.438
240 HZ3 LYS 29 HZ3 LYS 29 11.194 9.100 3.090
241 H ASP 30 HN ASP 30 8.270 3.637 0.265
242 HA ASP 30 HA ASP 30 11.006 3.616 1.119
243 HB2 ASP 30 HB2 ASP 30 9.175 3.033 2.661
244 HB3 ASP 30 HB1 ASP 30 8.778 1.637 1.667
245 H LEU 31 HN LEU 31 9.101 1.856 -1.205
246 HA LEU 31 HA LEU 31 10.856 -0.293 -1.673
247 HB2 LEU 31 HB2 LEU 31 8.410 0.203 -2.517
248 HB3 LEU 31 HB1 LEU 31 9.236 0.953 -3.865
249 HG LEU 31 HG LEU 31 8.506 -1.353 -4.343
250 HD11 LEU 31 HD11 LEU 31 10.407 -0.446 -5.553
251 HD12 LEU 31 HD12 LEU 31 10.605 -2.175 -5.266
252 HD13 LEU 31 HD13 LEU 31 11.496 -1.011 -4.286
253 HD21 LEU 31 HD21 LEU 31 9.540 -3.231 -3.266
254 HD22 LEU 31 HD22 LEU 31 8.786 -2.202 -2.045
255 HD23 LEU 31 HD23 LEU 31 10.533 -2.165 -2.276
256 H ALA 32 HN ALA 32 10.662 2.967 -2.981
257 HA ALA 32 HA ALA 32 12.629 2.798 -4.951
258 HB1 ALA 32 HB1 ALA 32 11.100 4.679 -4.761
259 HB2 ALA 32 HB2 ALA 32 12.774 5.232 -4.763
260 HB3 ALA 32 HB3 ALA 32 11.869 5.162 -3.251
261 H ASP 33 HN ASP 33 12.858 3.259 -1.500
262 HA ASP 33 HA ASP 33 15.644 3.856 -1.425
263 HB2 ASP 33 HB2 ASP 33 14.314 4.500 0.465
264 HB3 ASP 33 HB1 ASP 33 13.713 2.861 0.679
265 HA 4PH 34 HA 4PH 34 15.837 -0.824 -0.519
266 HB2 4PH 34 HB1 4PH 34 13.206 -1.391 -1.894
267 HB3 4PH 34 HB2 4PH 34 13.467 -1.361 -0.157
268 HD2 4PH 34 HD2 4PH 34 13.129 -3.453 -2.901
269 HD1 4PH 34 HD1 4PH 34 15.456 -2.962 0.629
270 HE2 4PH 34 HE2 4PH 34 13.651 -5.852 -2.918
271 HE1 4PH 34 HE1 4PH 34 15.979 -5.364 0.622
272 H33 4PH 34 H33 4PH 34 14.304 -7.653 -1.587
273 H33A 4PH 34 H33A 4PH 34 16.026 -7.296 -1.724
274 H33B 4PH 34 H33B 4PH 34 15.274 -7.446 -0.133
275 H 4PH 34 HN 4PH 34 13.734 0.928 -1.223
276 HN1 NH2 35 HN1 NH2 35 17.537 -1.206 -1.739
277 HN2 NH2 35 HN2 NH2 35 17.550 -1.396 -3.456
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 15.191 -4.295 5.513
2 H2 ACE 0 HA2 ACE 0 14.580 -2.859 6.332
3 H3 ACE 0 HA3 ACE 0 13.810 -3.381 4.835
4 HA PRO 1 HA PRO 1 12.850 -5.436 3.895
5 HB2 PRO 1 HB2 PRO 1 11.134 -7.599 4.154
6 HB3 PRO 1 HB1 PRO 1 12.870 -7.728 3.811
7 HG2 PRO 1 HG2 PRO 1 11.431 -8.041 6.392
8 HG3 PRO 1 HG1 PRO 1 12.807 -8.958 5.741
9 HD2 PRO 1 HD2 PRO 1 13.141 -7.070 7.622
10 HD3 PRO 1 HD1 PRO 1 14.344 -7.344 6.344
11 HA PRO 2 HA PRO 2 9.183 -3.029 4.762
12 HB2 PRO 2 HB2 PRO 2 8.620 -2.384 2.147
13 HB3 PRO 2 HB1 PRO 2 9.854 -1.556 3.121
14 HG2 PRO 2 HG2 PRO 2 10.181 -3.658 1.053
15 HG3 PRO 2 HG1 PRO 2 11.189 -2.242 1.405
16 HD2 PRO 2 HD2 PRO 2 11.847 -4.764 2.188
17 HD3 PRO 2 HD1 PRO 2 12.340 -3.309 3.079
18 H THR 3 HN THR 3 7.226 -3.837 5.182
19 HA THR 3 HA THR 3 6.275 -6.196 3.876
20 HB THR 3 HB THR 3 4.218 -5.765 5.343
21 HG1 THR 3 HG1 THR 3 5.368 -3.432 5.643
22 HG21 THR 3 HG21 THR 3 5.365 -6.550 7.348
23 HG22 THR 3 HG22 THR 3 6.914 -6.065 6.664
24 HG23 THR 3 HG23 THR 3 5.987 -7.361 5.912
25 H LYS 4 HN LYS 4 5.024 -6.323 2.163
26 HA LYS 4 HA LYS 4 3.970 -3.882 0.990
27 HB2 LYS 4 HB2 LYS 4 3.741 -5.109 -1.034
28 HB3 LYS 4 HB1 LYS 4 5.267 -5.620 -0.327
29 HG2 LYS 4 HG2 LYS 4 4.132 -7.626 0.560
30 HG3 LYS 4 HG1 LYS 4 2.665 -7.120 -0.282
31 HD2 LYS 4 HD2 LYS 4 5.323 -7.752 -1.568
32 HD3 LYS 4 HD1 LYS 4 3.898 -8.789 -1.574
33 HE2 LYS 4 HE2 LYS 4 4.080 -6.038 -2.797
34 HE3 LYS 4 HE1 LYS 4 4.140 -7.561 -3.680
35 HZ1 LYS 4 HZ1 LYS 4 1.838 -6.566 -2.088
36 HZ2 LYS 4 HZ2 LYS 4 1.897 -8.045 -2.900
37 HZ3 LYS 4 HZ3 LYS 4 1.940 -6.603 -3.775
38 HA PRO 5 HA PRO 5 -0.233 -4.772 2.128
39 HB2 PRO 5 HB2 PRO 5 -1.488 -3.095 0.448
40 HB3 PRO 5 HB1 PRO 5 -0.506 -2.491 1.792
41 HG2 PRO 5 HG2 PRO 5 0.152 -2.662 -1.099
42 HG3 PRO 5 HG1 PRO 5 0.528 -1.388 0.078
43 HD2 PRO 5 HD2 PRO 5 2.297 -3.335 -0.737
44 HD3 PRO 5 HD1 PRO 5 2.416 -2.436 0.791
45 H THR 6 HN THR 6 -2.346 -5.380 1.110
46 HA THR 6 HA THR 6 -1.932 -6.955 -1.343
47 HB THR 6 HB THR 6 -2.100 -8.404 0.653
48 HG1 THR 6 HG1 THR 6 -4.503 -9.040 -0.487
49 HG21 THR 6 HG21 THR 6 -4.865 -7.231 0.921
50 HG22 THR 6 HG22 THR 6 -3.526 -7.012 2.048
51 HG23 THR 6 HG23 THR 6 -4.245 -8.607 1.830
52 H LYS 7 HN LYS 7 -3.661 -7.098 -2.782
53 HA LYS 7 HA LYS 7 -5.144 -4.732 -3.117
54 HB2 LYS 7 HB2 LYS 7 -5.333 -7.427 -4.446
55 HB3 LYS 7 HB1 LYS 7 -6.324 -6.058 -4.927
56 HG2 LYS 7 HG2 LYS 7 -3.314 -6.158 -4.982
57 HG3 LYS 7 HG1 LYS 7 -4.385 -6.310 -6.376
58 HD2 LYS 7 HD2 LYS 7 -5.288 -4.033 -5.798
59 HD3 LYS 7 HD1 LYS 7 -3.993 -3.902 -4.606
60 HE2 LYS 7 HE2 LYS 7 -3.621 -4.309 -7.572
61 HE3 LYS 7 HE1 LYS 7 -3.411 -2.789 -6.706
62 HZ1 LYS 7 HZ1 LYS 7 -1.827 -5.257 -6.251
63 HZ2 LYS 7 HZ2 LYS 7 -1.614 -3.785 -5.448
64 HZ3 LYS 7 HZ3 LYS 7 -1.302 -3.897 -7.104
65 HA PRO 8 HA PRO 8 -8.637 -5.714 -0.457
66 HB2 PRO 8 HB2 PRO 8 -9.653 -3.161 -1.524
67 HB3 PRO 8 HB1 PRO 8 -9.317 -3.621 0.157
68 HG2 PRO 8 HG2 PRO 8 -7.801 -1.855 -1.156
69 HG3 PRO 8 HG1 PRO 8 -7.118 -2.978 0.038
70 HD2 PRO 8 HD2 PRO 8 -7.049 -3.132 -2.953
71 HD3 PRO 8 HD1 PRO 8 -5.779 -3.517 -1.767
72 H GLY 9 HN GLY 9 -10.247 -6.995 -1.073
73 HA2 GLY 9 HA2 GLY 9 -11.412 -6.647 -3.753
74 HA3 GLY 9 HA1 GLY 9 -11.533 -8.098 -2.769
75 H ASP 10 HN ASP 10 -12.735 -7.808 -0.675
76 HA ASP 10 HA ASP 10 -15.244 -6.458 -1.230
77 HB2 ASP 10 HB2 ASP 10 -14.351 -8.279 1.006
78 HB3 ASP 10 HB1 ASP 10 -15.927 -7.498 0.981
79 H ASN 11 HN ASN 11 -12.454 -6.109 0.799
80 HA ASN 11 HA ASN 11 -13.625 -4.006 2.394
81 HB2 ASN 11 HB2 ASN 11 -11.407 -3.842 3.449
82 HB3 ASN 11 HB1 ASN 11 -12.013 -5.491 3.457
83 HD21 ASN 11 HD21 ASN 11 -9.279 -4.424 3.656
84 HD22 ASN 11 HD22 ASN 11 -8.386 -5.187 2.393
85 H ALA 12 HN ALA 12 -12.943 -3.988 -0.649
86 HA ALA 12 HA ALA 12 -11.130 -1.805 -0.976
87 HB1 ALA 12 HB1 ALA 12 -11.405 -3.569 -2.663
88 HB2 ALA 12 HB2 ALA 12 -11.677 -1.955 -3.326
89 HB3 ALA 12 HB3 ALA 12 -13.049 -3.004 -2.963
90 H THR 13 HN THR 13 -13.557 -1.361 0.683
91 HA THR 13 HA THR 13 -15.448 0.258 -0.562
92 HB THR 13 HB THR 13 -15.662 1.350 1.723
93 HG1 THR 13 HG1 THR 13 -14.246 0.850 3.231
94 HG21 THR 13 HG21 THR 13 -17.036 -0.549 1.051
95 HG22 THR 13 HG22 THR 13 -16.608 -0.656 2.758
96 HG23 THR 13 HG23 THR 13 -15.773 -1.662 1.575
97 HA PRO 14 HA PRO 14 -13.281 3.701 -2.205
98 HB2 PRO 14 HB2 PRO 14 -15.538 5.259 -1.003
99 HB3 PRO 14 HB1 PRO 14 -14.885 5.316 -2.651
100 HG2 PRO 14 HG2 PRO 14 -17.154 4.054 -2.116
101 HG3 PRO 14 HG1 PRO 14 -16.004 3.436 -3.322
102 HD2 PRO 14 HD2 PRO 14 -16.638 2.390 -0.621
103 HD3 PRO 14 HD1 PRO 14 -16.012 1.542 -2.046
104 H GLU 15 HN GLU 15 -14.565 4.035 1.075
105 HA GLU 15 HA GLU 15 -13.006 6.293 1.769
106 HB2 GLU 15 HB2 GLU 15 -14.390 4.236 3.483
107 HB3 GLU 15 HB1 GLU 15 -13.667 5.712 4.104
108 HG2 GLU 15 HG2 GLU 15 -15.213 7.040 2.777
109 HG3 GLU 15 HG1 GLU 15 -15.912 5.566 2.108
110 H LYS 16 HN LYS 16 -12.501 2.842 2.058
111 HA LYS 16 HA LYS 16 -10.039 3.202 3.559
112 HB2 LYS 16 HB2 LYS 16 -11.588 1.347 4.125
113 HB3 LYS 16 HB1 LYS 16 -11.346 0.674 2.515
114 HG2 LYS 16 HG2 LYS 16 -8.968 0.351 3.024
115 HG3 LYS 16 HG1 LYS 16 -9.240 0.994 4.644
116 HD2 LYS 16 HD2 LYS 16 -10.874 -0.822 5.044
117 HD3 LYS 16 HD1 LYS 16 -10.469 -1.491 3.462
118 HE2 LYS 16 HE2 LYS 16 -9.237 -2.676 5.158
119 HE3 LYS 16 HE1 LYS 16 -8.119 -1.708 4.199
120 HZ1 LYS 16 HZ1 LYS 16 -7.639 -1.546 6.561
121 HZ2 LYS 16 HZ2 LYS 16 -9.193 -0.964 6.864
122 HZ3 LYS 16 HZ3 LYS 16 -8.111 -0.043 5.948
123 H LEU 17 HN LEU 17 -11.172 2.464 0.361
124 HA LEU 17 HA LEU 17 -8.798 1.472 -0.766
125 HB2 LEU 17 HB2 LEU 17 -11.094 1.304 -1.732
126 HB3 LEU 17 HB1 LEU 17 -11.001 3.008 -2.129
127 HG LEU 17 HG LEU 17 -9.126 2.544 -3.651
128 HD11 LEU 17 HD11 LEU 17 -9.660 -0.331 -2.916
129 HD12 LEU 17 HD12 LEU 17 -8.204 0.589 -2.548
130 HD13 LEU 17 HD13 LEU 17 -8.606 0.213 -4.221
131 HD21 LEU 17 HD21 LEU 17 -11.404 2.570 -4.494
132 HD22 LEU 17 HD22 LEU 17 -11.583 0.860 -4.095
133 HD23 LEU 17 HD23 LEU 17 -10.442 1.361 -5.345
134 H ALA 18 HN ALA 18 -10.048 4.713 -0.313
135 HA ALA 18 HA ALA 18 -8.138 6.088 -1.868
136 HB1 ALA 18 HB1 ALA 18 -10.254 7.087 -1.166
137 HB2 ALA 18 HB2 ALA 18 -8.881 8.075 -0.663
138 HB3 ALA 18 HB3 ALA 18 -9.715 7.056 0.512
139 H LYS 19 HN LYS 19 -8.290 5.316 1.596
140 HA LYS 19 HA LYS 19 -5.788 6.485 2.236
141 HB2 LYS 19 HB2 LYS 19 -7.566 5.968 3.910
142 HB3 LYS 19 HB1 LYS 19 -7.217 4.256 3.700
143 HG2 LYS 19 HG2 LYS 19 -4.965 4.577 4.529
144 HG3 LYS 19 HG1 LYS 19 -5.242 6.314 4.673
145 HD2 LYS 19 HD2 LYS 19 -7.058 5.841 6.294
146 HD3 LYS 19 HD1 LYS 19 -6.652 4.126 6.198
147 HE2 LYS 19 HE2 LYS 19 -4.779 6.312 7.094
148 HE3 LYS 19 HE1 LYS 19 -5.661 5.228 8.164
149 HZ1 LYS 19 HZ1 LYS 19 -3.635 4.394 6.158
150 HZ2 LYS 19 HZ2 LYS 19 -4.478 3.362 7.199
151 HZ3 LYS 19 HZ3 LYS 19 -3.389 4.490 7.828
152 HA 4PH 20 HA 4PH 20 -4.403 1.918 1.445
153 HB2 4PH 20 HB1 4PH 20 -6.536 1.673 -0.682
154 HB3 4PH 20 HB2 4PH 20 -6.481 0.798 0.842
155 HD2 4PH 20 HD2 4PH 20 -4.438 -0.724 1.222
156 HD1 4PH 20 HD1 4PH 20 -5.639 0.730 -2.583
157 HE2 4PH 20 HE2 4PH 20 -3.174 -2.523 0.141
158 HE1 4PH 20 HE1 4PH 20 -4.374 -1.073 -3.679
159 H33 4PH 20 H33 4PH 20 -2.603 -2.525 -3.421
160 H33A 4PH 20 H33A 4PH 20 -2.047 -3.082 -1.841
161 H33B 4PH 20 H33B 4PH 20 -3.499 -3.776 -2.567
162 H 4PH 20 HN 4PH 20 -6.805 3.313 1.150
163 H GLN 21 HN GLN 21 -5.562 3.945 -1.241
164 HA GLN 21 HA GLN 21 -3.313 3.634 -2.898
165 HB2 GLN 21 HB2 GLN 21 -5.254 5.935 -2.648
166 HB3 GLN 21 HB1 GLN 21 -4.061 5.788 -3.932
167 HG2 GLN 21 HG2 GLN 21 -6.189 3.740 -3.376
168 HG3 GLN 21 HG1 GLN 21 -6.365 5.051 -4.540
169 HE21 GLN 21 HE21 GLN 21 -4.688 2.075 -3.808
170 HE22 GLN 21 HE22 GLN 21 -4.085 1.798 -5.401
171 H ALA 22 HN ALA 22 -3.920 5.758 -0.174
172 HA ALA 22 HA ALA 22 -1.562 7.337 -0.498
173 HB1 ALA 22 HB1 ALA 22 -3.496 8.147 0.757
174 HB2 ALA 22 HB2 ALA 22 -2.046 8.134 1.759
175 HB3 ALA 22 HB3 ALA 22 -3.262 6.868 1.948
176 H ASP 23 HN ASP 23 -2.433 4.440 1.254
177 HA ASP 23 HA ASP 23 -0.034 4.101 2.702
178 HB2 ASP 23 HB2 ASP 23 -2.044 2.873 3.304
179 HB3 ASP 23 HB1 ASP 23 -2.052 2.055 1.744
180 H LEU 24 HN LEU 24 -1.056 3.008 -0.507
181 HA LEU 24 HA LEU 24 1.244 1.529 -1.138
182 HB2 LEU 24 HB2 LEU 24 -0.888 2.857 -2.738
183 HB3 LEU 24 HB1 LEU 24 0.575 2.355 -3.568
184 HG LEU 24 HG LEU 24 -1.350 0.722 -3.632
185 HD11 LEU 24 HD11 LEU 24 1.251 -0.218 -2.425
186 HD12 LEU 24 HD12 LEU 24 0.934 0.049 -4.139
187 HD13 LEU 24 HD13 LEU 24 0.080 -1.229 -3.271
188 HD21 LEU 24 HD21 LEU 24 -1.676 -0.687 -1.668
189 HD22 LEU 24 HD22 LEU 24 -2.109 0.990 -1.338
190 HD23 LEU 24 HD23 LEU 24 -0.580 0.341 -0.745
191 H ALA 25 HN ALA 25 0.589 4.965 -1.265
192 HA ALA 25 HA ALA 25 2.889 5.712 -2.726
193 HB1 ALA 25 HB1 ALA 25 1.403 7.283 -0.622
194 HB2 ALA 25 HB2 ALA 25 0.997 7.226 -2.337
195 HB3 ALA 25 HB3 ALA 25 2.523 7.941 -1.815
196 H LYS 26 HN LYS 26 2.268 5.211 0.708
197 HA LYS 26 HA LYS 26 4.798 5.963 1.686
198 HB2 LYS 26 HB2 LYS 26 2.877 3.893 2.778
199 HB3 LYS 26 HB1 LYS 26 4.213 4.610 3.661
200 HG2 LYS 26 HG2 LYS 26 3.143 6.777 3.589
201 HG3 LYS 26 HG1 LYS 26 1.836 6.122 2.599
202 HD2 LYS 26 HD2 LYS 26 1.306 4.540 4.445
203 HD3 LYS 26 HD1 LYS 26 2.523 5.348 5.433
204 HE2 LYS 26 HE2 LYS 26 0.069 6.638 4.251
205 HE3 LYS 26 HE1 LYS 26 0.263 6.147 5.932
206 HZ1 LYS 26 HZ1 LYS 26 0.675 8.484 5.720
207 HZ2 LYS 26 HZ2 LYS 26 1.826 8.229 4.509
208 HZ3 LYS 26 HZ3 LYS 26 2.136 7.712 6.089
209 HA 4PH 27 HA 4PH 27 5.727 1.296 1.294
210 HB2 4PH 27 HB1 4PH 27 3.360 0.848 -0.515
211 HB3 4PH 27 HB2 4PH 27 3.663 0.151 1.069
212 HD2 4PH 27 HD2 4PH 27 3.621 -0.518 -2.318
213 HD1 4PH 27 HD1 4PH 27 5.963 -1.270 1.159
214 HE2 4PH 27 HE2 4PH 27 4.596 -2.486 -3.406
215 HE1 4PH 27 HE1 4PH 27 6.935 -3.251 0.071
216 H33 4PH 27 H33 4PH 27 7.279 -3.787 -2.888
217 H33A 4PH 27 H33A 4PH 27 6.644 -4.831 -1.616
218 H33B 4PH 27 H33B 4PH 27 5.678 -4.498 -3.059
219 H 4PH 27 HN 4PH 27 3.457 2.847 0.697
220 H GLN 28 HN GLN 28 4.631 2.702 -1.795
221 HA GLN 28 HA GLN 28 6.685 1.579 -3.357
222 HB2 GLN 28 HB2 GLN 28 5.018 4.061 -3.790
223 HB3 GLN 28 HB1 GLN 28 6.116 3.402 -4.998
224 HG2 GLN 28 HG2 GLN 28 4.828 1.374 -5.139
225 HG3 GLN 28 HG1 GLN 28 3.806 1.879 -3.795
226 HE21 GLN 28 HE21 GLN 28 2.313 3.542 -4.118
227 HE22 GLN 28 HE22 GLN 28 1.767 3.973 -5.697
228 H LYS 29 HN LYS 29 6.478 4.627 -1.606
229 HA LYS 29 HA LYS 29 8.873 5.765 -2.543
230 HB2 LYS 29 HB2 LYS 29 7.187 7.085 -1.381
231 HB3 LYS 29 HB1 LYS 29 7.425 6.148 0.085
232 HG2 LYS 29 HG2 LYS 29 9.720 6.991 0.243
233 HG3 LYS 29 HG1 LYS 29 9.455 7.951 -1.212
234 HD2 LYS 29 HD2 LYS 29 7.877 8.208 1.345
235 HD3 LYS 29 HD1 LYS 29 9.206 9.264 0.868
236 HE2 LYS 29 HE2 LYS 29 6.629 8.880 -0.654
237 HE3 LYS 29 HE1 LYS 29 7.012 10.253 0.380
238 HZ1 LYS 29 HZ1 LYS 29 8.427 9.487 -2.117
239 HZ2 LYS 29 HZ2 LYS 29 8.888 10.755 -1.100
240 HZ3 LYS 29 HZ3 LYS 29 7.405 10.818 -1.906
241 H ASP 30 HN ASP 30 8.164 3.741 0.273
242 HA ASP 30 HA ASP 30 10.844 3.838 1.265
243 HB2 ASP 30 HB2 ASP 30 8.930 3.451 2.765
244 HB3 ASP 30 HB1 ASP 30 8.607 1.918 1.962
245 H LEU 31 HN LEU 31 9.021 1.632 -0.773
246 HA LEU 31 HA LEU 31 10.915 -0.455 -0.880
247 HB2 LEU 31 HB2 LEU 31 8.436 -0.290 -1.743
248 HB3 LEU 31 HB1 LEU 31 9.184 0.281 -3.216
249 HG LEU 31 HG LEU 31 8.609 -2.126 -3.257
250 HD11 LEU 31 HD11 LEU 31 10.361 -1.310 -4.717
251 HD12 LEU 31 HD12 LEU 31 10.742 -2.931 -4.135
252 HD13 LEU 31 HD13 LEU 31 11.552 -1.527 -3.435
253 HD21 LEU 31 HD21 LEU 31 10.789 -2.421 -1.207
254 HD22 LEU 31 HD22 LEU 31 9.839 -3.711 -1.944
255 HD23 LEU 31 HD23 LEU 31 9.064 -2.545 -0.869
256 H ALA 32 HN ALA 32 10.455 2.474 -2.792
257 HA ALA 32 HA ALA 32 12.514 2.072 -4.656
258 HB1 ALA 32 HB1 ALA 32 10.765 3.753 -4.932
259 HB2 ALA 32 HB2 ALA 32 12.370 4.474 -5.050
260 HB3 ALA 32 HB3 ALA 32 11.424 4.663 -3.573
261 H ASP 33 HN ASP 33 12.500 3.321 -1.400
262 HA ASP 33 HA ASP 33 15.200 4.270 -1.458
263 HB2 ASP 33 HB2 ASP 33 13.674 5.285 0.102
264 HB3 ASP 33 HB1 ASP 33 13.293 3.727 0.822
265 HA 4PH 34 HA 4PH 34 15.901 0.174 0.864
266 HB2 4PH 34 HB1 4PH 34 13.388 -1.149 -0.175
267 HB3 4PH 34 HB2 4PH 34 13.611 -0.520 1.451
268 HD2 4PH 34 HD2 4PH 34 15.697 -1.504 2.727
269 HD1 4PH 34 HD1 4PH 34 13.717 -3.407 -0.525
270 HE2 4PH 34 HE2 4PH 34 16.575 -3.678 3.467
271 HE1 4PH 34 HE1 4PH 34 14.594 -5.583 0.208
272 H33 4PH 34 H33 4PH 34 15.434 -6.444 2.988
273 H33A 4PH 34 H33A 4PH 34 16.272 -6.637 1.447
274 H33B 4PH 34 H33B 4PH 34 17.077 -5.841 2.806
275 H 4PH 34 HN 4PH 34 13.599 1.347 -0.275
276 HN1 NH2 35 HN1 NH2 35 14.204 -0.647 -2.144
277 HN2 NH2 35 HN2 NH2 35 15.597 -1.255 -2.969
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 14.967 -4.597 5.390
2 H2 ACE 0 HA2 ACE 0 14.158 -4.158 3.887
3 H3 ACE 0 HA3 ACE 0 15.494 -5.304 3.835
4 HA PRO 1 HA PRO 1 13.364 -5.592 1.857
5 HB2 PRO 1 HB2 PRO 1 11.711 -8.029 1.470
6 HB3 PRO 1 HB1 PRO 1 12.949 -7.325 0.410
7 HG2 PRO 1 HG2 PRO 1 13.405 -9.567 1.759
8 HG3 PRO 1 HG1 PRO 1 14.681 -8.355 1.500
9 HD2 PRO 1 HD2 PRO 1 13.074 -8.903 3.964
10 HD3 PRO 1 HD1 PRO 1 14.791 -8.470 3.804
11 HA PRO 2 HA PRO 2 9.555 -3.859 3.271
12 HB2 PRO 2 HB2 PRO 2 8.786 -2.635 0.914
13 HB3 PRO 2 HB1 PRO 2 9.982 -1.968 2.044
14 HG2 PRO 2 HG2 PRO 2 10.396 -3.373 -0.524
15 HG3 PRO 2 HG1 PRO 2 11.326 -2.063 0.223
16 HD2 PRO 2 HD2 PRO 2 12.136 -4.674 0.214
17 HD3 PRO 2 HD1 PRO 2 12.618 -3.493 1.445
18 H THR 3 HN THR 3 7.642 -4.809 3.545
19 HA THR 3 HA THR 3 6.693 -6.775 1.643
20 HB THR 3 HB THR 3 4.856 -7.079 3.361
21 HG1 THR 3 HG1 THR 3 5.433 -4.817 4.218
22 HG21 THR 3 HG21 THR 3 6.865 -8.495 3.309
23 HG22 THR 3 HG22 THR 3 6.285 -8.236 4.955
24 HG23 THR 3 HG23 THR 3 7.690 -7.349 4.365
25 H LYS 4 HN LYS 4 5.337 -6.293 0.042
26 HA LYS 4 HA LYS 4 4.096 -3.764 -0.221
27 HB2 LYS 4 HB2 LYS 4 3.043 -4.628 -2.211
28 HB3 LYS 4 HB1 LYS 4 4.679 -5.267 -2.151
29 HG2 LYS 4 HG2 LYS 4 3.837 -7.382 -1.313
30 HG3 LYS 4 HG1 LYS 4 2.193 -6.743 -1.330
31 HD2 LYS 4 HD2 LYS 4 3.961 -6.999 -3.760
32 HD3 LYS 4 HD1 LYS 4 2.735 -8.174 -3.290
33 HE2 LYS 4 HE2 LYS 4 1.034 -6.367 -3.429
34 HE3 LYS 4 HE1 LYS 4 2.287 -5.287 -4.039
35 HZ1 LYS 4 HZ1 LYS 4 1.391 -7.805 -5.335
36 HZ2 LYS 4 HZ2 LYS 4 2.593 -6.770 -5.925
37 HZ3 LYS 4 HZ3 LYS 4 0.990 -6.241 -5.834
38 HA PRO 5 HA PRO 5 0.395 -4.257 2.169
39 HB2 PRO 5 HB2 PRO 5 -1.265 -2.647 0.685
40 HB3 PRO 5 HB1 PRO 5 -0.081 -2.039 1.848
41 HG2 PRO 5 HG2 PRO 5 0.100 -2.212 -1.111
42 HG3 PRO 5 HG1 PRO 5 0.656 -0.937 -0.010
43 HD2 PRO 5 HD2 PRO 5 2.340 -2.737 -1.091
44 HD3 PRO 5 HD1 PRO 5 2.589 -2.059 0.535
45 H THR 6 HN THR 6 -1.708 -5.187 2.081
46 HA THR 6 HA THR 6 -1.940 -7.133 -0.062
47 HB THR 6 HB THR 6 -2.112 -7.861 2.305
48 HG1 THR 6 HG1 THR 6 -4.652 -8.413 1.317
49 HG21 THR 6 HG21 THR 6 -4.181 -7.432 3.551
50 HG22 THR 6 HG22 THR 6 -4.718 -6.339 2.277
51 HG23 THR 6 HG23 THR 6 -3.294 -5.942 3.237
52 H LYS 7 HN LYS 7 -3.499 -7.226 -1.548
53 HA LYS 7 HA LYS 7 -4.930 -4.891 -2.235
54 HB2 LYS 7 HB2 LYS 7 -5.179 -7.718 -3.254
55 HB3 LYS 7 HB1 LYS 7 -5.956 -6.327 -3.992
56 HG2 LYS 7 HG2 LYS 7 -2.979 -6.617 -3.661
57 HG3 LYS 7 HG1 LYS 7 -3.865 -7.070 -5.115
58 HD2 LYS 7 HD2 LYS 7 -3.739 -4.298 -3.914
59 HD3 LYS 7 HD1 LYS 7 -2.848 -4.854 -5.332
60 HE2 LYS 7 HE2 LYS 7 -5.847 -4.663 -5.066
61 HE3 LYS 7 HE1 LYS 7 -4.809 -3.583 -5.991
62 HZ1 LYS 7 HZ1 LYS 7 -4.212 -5.408 -7.425
63 HZ2 LYS 7 HZ2 LYS 7 -5.890 -5.243 -7.387
64 HZ3 LYS 7 HZ3 LYS 7 -5.145 -6.484 -6.517
65 HA PRO 8 HA PRO 8 -8.677 -5.627 0.153
66 HB2 PRO 8 HB2 PRO 8 -9.635 -3.235 -1.250
67 HB3 PRO 8 HB1 PRO 8 -9.376 -3.481 0.486
68 HG2 PRO 8 HG2 PRO 8 -7.834 -1.849 -0.983
69 HG3 PRO 8 HG1 PRO 8 -7.207 -2.762 0.404
70 HD2 PRO 8 HD2 PRO 8 -6.932 -3.350 -2.520
71 HD3 PRO 8 HD1 PRO 8 -5.731 -3.504 -1.213
72 H GLY 9 HN GLY 9 -10.357 -6.873 -0.467
73 HA2 GLY 9 HA2 GLY 9 -11.029 -6.944 -3.328
74 HA3 GLY 9 HA1 GLY 9 -11.419 -8.192 -2.157
75 H ASP 10 HN ASP 10 -12.940 -7.504 -0.408
76 HA ASP 10 HA ASP 10 -15.216 -6.173 -1.620
77 HB2 ASP 10 HB2 ASP 10 -14.906 -7.564 1.053
78 HB3 ASP 10 HB1 ASP 10 -16.410 -6.875 0.454
79 H ASN 11 HN ASN 11 -12.779 -5.610 0.782
80 HA ASN 11 HA ASN 11 -14.098 -3.264 1.843
81 HB2 ASN 11 HB2 ASN 11 -12.304 -3.088 3.384
82 HB3 ASN 11 HB1 ASN 11 -12.630 -4.807 3.226
83 HD21 ASN 11 HD21 ASN 11 -10.362 -2.269 2.722
84 HD22 ASN 11 HD22 ASN 11 -9.038 -3.260 2.239
85 H ALA 12 HN ALA 12 -12.878 -3.722 -1.011
86 HA ALA 12 HA ALA 12 -10.990 -1.586 -1.296
87 HB1 ALA 12 HB1 ALA 12 -12.497 -3.074 -3.437
88 HB2 ALA 12 HB2 ALA 12 -10.967 -3.596 -2.733
89 HB3 ALA 12 HB3 ALA 12 -11.049 -2.091 -3.654
90 H THR 13 HN THR 13 -13.725 -1.028 -0.238
91 HA THR 13 HA THR 13 -15.214 0.457 -2.117
92 HB THR 13 HB THR 13 -16.167 1.574 -0.058
93 HG1 THR 13 HG1 THR 13 -15.518 0.455 1.941
94 HG21 THR 13 HG21 THR 13 -16.106 -1.444 -0.034
95 HG22 THR 13 HG22 THR 13 -17.157 -0.448 -1.038
96 HG23 THR 13 HG23 THR 13 -17.331 -0.420 0.714
97 HA PRO 14 HA PRO 14 -12.804 4.073 -2.903
98 HB2 PRO 14 HB2 PRO 14 -15.337 5.537 -2.291
99 HB3 PRO 14 HB1 PRO 14 -14.271 5.678 -3.699
100 HG2 PRO 14 HG2 PRO 14 -16.585 4.390 -3.846
101 HG3 PRO 14 HG1 PRO 14 -15.146 3.838 -4.735
102 HD2 PRO 14 HD2 PRO 14 -16.444 2.655 -2.343
103 HD3 PRO 14 HD1 PRO 14 -15.473 1.878 -3.607
104 H GLU 15 HN GLU 15 -14.743 3.820 -0.023
105 HA GLU 15 HA GLU 15 -13.776 6.114 1.339
106 HB2 GLU 15 HB2 GLU 15 -15.001 3.582 2.440
107 HB3 GLU 15 HB1 GLU 15 -14.851 5.110 3.296
108 HG2 GLU 15 HG2 GLU 15 -16.434 6.155 1.909
109 HG3 GLU 15 HG1 GLU 15 -16.369 4.846 0.731
110 H LYS 16 HN LYS 16 -12.963 2.653 1.552
111 HA LYS 16 HA LYS 16 -10.800 3.232 3.406
112 HB2 LYS 16 HB2 LYS 16 -12.245 1.270 3.814
113 HB3 LYS 16 HB1 LYS 16 -11.750 0.587 2.266
114 HG2 LYS 16 HG2 LYS 16 -10.524 -0.504 3.995
115 HG3 LYS 16 HG1 LYS 16 -9.409 0.540 3.113
116 HD2 LYS 16 HD2 LYS 16 -9.810 2.276 4.902
117 HD3 LYS 16 HD1 LYS 16 -10.654 1.025 5.813
118 HE2 LYS 16 HE2 LYS 16 -7.779 0.959 4.915
119 HE3 LYS 16 HE1 LYS 16 -8.353 1.221 6.558
120 HZ1 LYS 16 HZ1 LYS 16 -8.639 -1.265 4.958
121 HZ2 LYS 16 HZ2 LYS 16 -9.336 -1.022 6.477
122 HZ3 LYS 16 HZ3 LYS 16 -7.656 -1.037 6.314
123 H LEU 17 HN LEU 17 -11.337 2.475 0.078
124 HA LEU 17 HA LEU 17 -8.802 1.547 -0.658
125 HB2 LEU 17 HB2 LEU 17 -10.885 1.448 -2.028
126 HB3 LEU 17 HB1 LEU 17 -10.721 3.166 -2.321
127 HG LEU 17 HG LEU 17 -8.632 2.775 -3.535
128 HD11 LEU 17 HD11 LEU 17 -7.886 0.792 -2.304
129 HD12 LEU 17 HD12 LEU 17 -7.910 0.502 -4.042
130 HD13 LEU 17 HD13 LEU 17 -9.196 -0.142 -3.021
131 HD21 LEU 17 HD21 LEU 17 -10.731 2.762 -4.756
132 HD22 LEU 17 HD22 LEU 17 -10.934 1.042 -4.416
133 HD23 LEU 17 HD23 LEU 17 -9.613 1.587 -5.452
134 H ALA 18 HN ALA 18 -10.081 4.750 -0.172
135 HA ALA 18 HA ALA 18 -8.009 6.244 -1.342
136 HB1 ALA 18 HB1 ALA 18 -10.184 7.196 -0.783
137 HB2 ALA 18 HB2 ALA 18 -8.880 8.110 -0.027
138 HB3 ALA 18 HB3 ALA 18 -9.842 6.985 0.933
139 H LYS 19 HN LYS 19 -8.493 5.015 1.938
140 HA LYS 19 HA LYS 19 -6.089 6.114 2.986
141 HB2 LYS 19 HB2 LYS 19 -7.936 5.443 4.455
142 HB3 LYS 19 HB1 LYS 19 -7.728 3.767 3.965
143 HG2 LYS 19 HG2 LYS 19 -5.476 3.769 4.932
144 HG3 LYS 19 HG1 LYS 19 -5.713 5.437 5.457
145 HD2 LYS 19 HD2 LYS 19 -7.580 4.738 6.864
146 HD3 LYS 19 HD1 LYS 19 -7.379 3.072 6.318
147 HE2 LYS 19 HE2 LYS 19 -6.351 3.343 8.488
148 HE3 LYS 19 HE1 LYS 19 -5.107 3.060 7.274
149 HZ1 LYS 19 HZ1 LYS 19 -4.638 5.420 7.239
150 HZ2 LYS 19 HZ2 LYS 19 -4.494 4.825 8.815
151 HZ3 LYS 19 HZ3 LYS 19 -5.861 5.714 8.370
152 HA 4PH 20 HA 4PH 20 -4.575 1.691 1.925
153 HB2 4PH 20 HB1 4PH 20 -6.517 1.466 -0.381
154 HB3 4PH 20 HB2 4PH 20 -6.599 0.574 1.132
155 HD2 4PH 20 HD2 4PH 20 -4.462 -0.834 1.699
156 HD1 4PH 20 HD1 4PH 20 -5.549 0.464 -2.197
157 HE2 4PH 20 HE2 4PH 20 -3.074 -2.605 0.726
158 HE1 4PH 20 HE1 4PH 20 -4.162 -1.308 -3.182
159 H33 4PH 20 H33 4PH 20 -3.255 -3.946 -1.961
160 H33A 4PH 20 H33A 4PH 20 -2.352 -2.692 -2.807
161 H33B 4PH 20 H33B 4PH 20 -1.869 -3.198 -1.185
162 H 4PH 20 HN 4PH 20 -6.969 3.077 1.463
163 H GLN 21 HN GLN 21 -5.535 3.924 -0.657
164 HA GLN 21 HA GLN 21 -3.239 3.678 -2.248
165 HB2 GLN 21 HB2 GLN 21 -5.031 6.070 -1.819
166 HB3 GLN 21 HB1 GLN 21 -3.807 5.960 -3.077
167 HG2 GLN 21 HG2 GLN 21 -6.248 4.229 -2.777
168 HG3 GLN 21 HG1 GLN 21 -5.971 5.471 -3.998
169 HE21 GLN 21 HE21 GLN 21 -5.254 2.248 -2.972
170 HE22 GLN 21 HE22 GLN 21 -4.457 1.740 -4.414
171 H ALA 22 HN ALA 22 -3.758 5.316 0.762
172 HA ALA 22 HA ALA 22 -1.448 6.977 0.684
173 HB1 ALA 22 HB1 ALA 22 -1.832 7.207 3.111
174 HB2 ALA 22 HB2 ALA 22 -3.071 5.954 3.008
175 HB3 ALA 22 HB3 ALA 22 -3.295 7.486 2.165
176 H ASP 23 HN ASP 23 -2.171 3.747 1.851
177 HA ASP 23 HA ASP 23 0.330 3.236 3.086
178 HB2 ASP 23 HB2 ASP 23 -1.942 1.906 3.198
179 HB3 ASP 23 HB1 ASP 23 -1.286 1.055 1.803
180 H LEU 24 HN LEU 24 -0.899 2.846 -0.185
181 HA LEU 24 HA LEU 24 1.344 1.541 -1.281
182 HB2 LEU 24 HB2 LEU 24 -0.902 3.137 -2.419
183 HB3 LEU 24 HB1 LEU 24 0.490 2.819 -3.435
184 HG LEU 24 HG LEU 24 -1.374 1.216 -3.766
185 HD11 LEU 24 HD11 LEU 24 0.919 0.588 -4.319
186 HD12 LEU 24 HD12 LEU 24 0.000 -0.796 -3.727
187 HD13 LEU 24 HD13 LEU 24 1.163 0.005 -2.674
188 HD21 LEU 24 HD21 LEU 24 -0.691 0.353 -0.964
189 HD22 LEU 24 HD22 LEU 24 -1.785 -0.484 -2.065
190 HD23 LEU 24 HD23 LEU 24 -2.188 1.129 -1.478
191 H ALA 25 HN ALA 25 0.594 4.946 -0.791
192 HA ALA 25 HA ALA 25 2.742 6.026 -2.239
193 HB1 ALA 25 HB1 ALA 25 1.394 7.124 0.226
194 HB2 ALA 25 HB2 ALA 25 0.869 7.373 -1.440
195 HB3 ALA 25 HB3 ALA 25 2.408 8.038 -0.892
196 H LYS 26 HN LYS 26 2.490 4.856 1.073
197 HA LYS 26 HA LYS 26 5.116 5.585 1.861
198 HB2 LYS 26 HB2 LYS 26 3.315 3.406 2.939
199 HB3 LYS 26 HB1 LYS 26 4.749 4.032 3.737
200 HG2 LYS 26 HG2 LYS 26 3.699 6.217 3.938
201 HG3 LYS 26 HG1 LYS 26 2.269 5.615 3.099
202 HD2 LYS 26 HD2 LYS 26 1.978 3.936 4.903
203 HD3 LYS 26 HD1 LYS 26 3.331 4.679 5.760
204 HE2 LYS 26 HE2 LYS 26 2.108 6.800 5.838
205 HE3 LYS 26 HE1 LYS 26 0.759 6.050 4.990
206 HZ1 LYS 26 HZ1 LYS 26 1.775 5.300 7.674
207 HZ2 LYS 26 HZ2 LYS 26 0.533 4.501 6.856
208 HZ3 LYS 26 HZ3 LYS 26 0.329 6.108 7.341
209 HA 4PH 27 HA 4PH 27 5.973 1.039 0.681
210 HB2 4PH 27 HB1 4PH 27 3.480 0.890 -1.008
211 HB3 4PH 27 HB2 4PH 27 3.870 -0.049 0.422
212 HD2 4PH 27 HD2 4PH 27 3.530 -0.244 -2.974
213 HD1 4PH 27 HD1 4PH 27 6.229 -1.405 0.108
214 HE2 4PH 27 HE2 4PH 27 4.391 -2.035 -4.412
215 HE1 4PH 27 HE1 4PH 27 7.094 -3.205 -1.329
216 H33 4PH 27 H33 4PH 27 7.107 -3.364 -4.357
217 H33A 4PH 27 H33A 4PH 27 6.611 -4.567 -3.163
218 H33B 4PH 27 H33B 4PH 27 5.494 -4.064 -4.439
219 H 4PH 27 HN 4PH 27 3.674 2.669 0.517
220 H GLN 28 HN GLN 28 4.638 2.969 -2.001
221 HA GLN 28 HA GLN 28 6.585 2.160 -3.876
222 HB2 GLN 28 HB2 GLN 28 4.820 4.612 -3.807
223 HB3 GLN 28 HB1 GLN 28 5.833 4.172 -5.179
224 HG2 GLN 28 HG2 GLN 28 4.603 2.064 -5.413
225 HG3 GLN 28 HG1 GLN 28 3.593 2.497 -4.037
226 HE21 GLN 28 HE21 GLN 28 3.544 5.333 -4.886
227 HE22 GLN 28 HE22 GLN 28 2.437 5.394 -6.206
228 H LYS 29 HN LYS 29 6.514 4.800 -1.546
229 HA LYS 29 HA LYS 29 8.883 6.068 -2.463
230 HB2 LYS 29 HB2 LYS 29 7.391 7.292 -1.014
231 HB3 LYS 29 HB1 LYS 29 7.536 6.075 0.246
232 HG2 LYS 29 HG2 LYS 29 9.927 6.651 0.477
233 HG3 LYS 29 HG1 LYS 29 9.707 7.927 -0.718
234 HD2 LYS 29 HD2 LYS 29 7.911 7.887 1.655
235 HD3 LYS 29 HD1 LYS 29 9.576 8.415 1.877
236 HE2 LYS 29 HE2 LYS 29 8.201 10.340 1.463
237 HE3 LYS 29 HE1 LYS 29 9.244 10.076 0.070
238 HZ1 LYS 29 HZ1 LYS 29 6.898 10.630 -0.471
239 HZ2 LYS 29 HZ2 LYS 29 6.431 9.152 0.199
240 HZ3 LYS 29 HZ3 LYS 29 7.440 9.184 -1.155
241 H ASP 30 HN ASP 30 8.237 3.643 0.034
242 HA ASP 30 HA ASP 30 10.951 3.500 0.904
243 HB2 ASP 30 HB2 ASP 30 9.078 2.929 2.400
244 HB3 ASP 30 HB1 ASP 30 8.681 1.550 1.379
245 H LEU 31 HN LEU 31 9.054 1.772 -1.472
246 HA LEU 31 HA LEU 31 10.815 -0.395 -1.882
247 HB2 LEU 31 HB2 LEU 31 8.380 0.017 -2.728
248 HB3 LEU 31 HB1 LEU 31 9.160 0.821 -4.072
249 HG LEU 31 HG LEU 31 8.484 -1.544 -4.511
250 HD11 LEU 31 HD11 LEU 31 10.558 -2.197 -5.613
251 HD12 LEU 31 HD12 LEU 31 11.434 -0.972 -4.693
252 HD13 LEU 31 HD13 LEU 31 10.204 -0.487 -5.861
253 HD21 LEU 31 HD21 LEU 31 9.042 -2.360 -2.238
254 HD22 LEU 31 HD22 LEU 31 10.752 -2.236 -2.661
255 HD23 LEU 31 HD23 LEU 31 9.705 -3.348 -3.540
256 H ALA 32 HN ALA 32 10.496 2.727 -3.539
257 HA ALA 32 HA ALA 32 12.728 2.451 -5.226
258 HB1 ALA 32 HB1 ALA 32 12.602 4.889 -5.449
259 HB2 ALA 32 HB2 ALA 32 11.487 4.950 -4.085
260 HB3 ALA 32 HB3 ALA 32 11.010 4.144 -5.577
261 H ASP 33 HN ASP 33 12.328 3.676 -1.970
262 HA ASP 33 HA ASP 33 14.919 4.668 -1.553
263 HB2 ASP 33 HB2 ASP 33 13.036 5.175 -0.054
264 HB3 ASP 33 HB1 ASP 33 12.987 3.494 0.463
265 HA 4PH 34 HA 4PH 34 15.843 0.291 0.078
266 HB2 4PH 34 HB1 4PH 34 13.607 -1.059 -1.451
267 HB3 4PH 34 HB2 4PH 34 13.549 -0.669 0.263
268 HD2 4PH 34 HD2 4PH 34 14.427 -3.122 -2.137
269 HD1 4PH 34 HD1 4PH 34 15.393 -1.667 1.742
270 HE2 4PH 34 HE2 4PH 34 15.482 -5.275 -1.599
271 HE1 4PH 34 HE1 4PH 34 16.452 -3.817 2.291
272 H33 4PH 34 H33 4PH 34 17.673 -5.851 0.416
273 H33A 4PH 34 H33A 4PH 34 16.534 -6.084 1.742
274 H33B 4PH 34 H33B 4PH 34 16.147 -6.673 0.122
275 H 4PH 34 HN 4PH 34 13.532 1.462 -1.055
276 HN1 NH2 35 HN1 NH2 35 14.668 0.636 -3.202
277 HN2 NH2 35 HN2 NH2 35 16.090 0.047 -3.988
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 14.617 -2.394 5.829
2 H2 ACE 0 HA2 ACE 0 13.665 -0.973 6.252
3 H3 ACE 0 HA3 ACE 0 13.338 -1.797 4.730
4 HA PRO 1 HA PRO 1 12.823 -4.010 3.922
5 HB2 PRO 1 HB2 PRO 1 11.389 -6.370 4.089
6 HB3 PRO 1 HB1 PRO 1 13.161 -6.270 4.166
7 HG2 PRO 1 HG2 PRO 1 11.186 -6.522 6.378
8 HG3 PRO 1 HG1 PRO 1 12.776 -7.295 6.181
9 HD2 PRO 1 HD2 PRO 1 12.426 -5.179 7.813
10 HD3 PRO 1 HD1 PRO 1 13.930 -5.418 6.897
11 HA PRO 2 HA PRO 2 8.701 -2.242 3.639
12 HB2 PRO 2 HB2 PRO 2 8.735 -1.880 0.919
13 HB3 PRO 2 HB1 PRO 2 9.530 -0.773 2.060
14 HG2 PRO 2 HG2 PRO 2 10.705 -2.918 0.380
15 HG3 PRO 2 HG1 PRO 2 11.342 -1.315 0.789
16 HD2 PRO 2 HD2 PRO 2 12.190 -3.605 1.994
17 HD3 PRO 2 HD1 PRO 2 12.204 -2.021 2.795
18 H THR 3 HN THR 3 6.908 -3.448 3.689
19 HA THR 3 HA THR 3 6.805 -5.885 2.074
20 HB THR 3 HB THR 3 4.783 -6.375 3.582
21 HG1 THR 3 HG1 THR 3 5.885 -4.786 5.553
22 HG21 THR 3 HG21 THR 3 6.957 -7.498 3.791
23 HG22 THR 3 HG22 THR 3 6.200 -7.240 5.362
24 HG23 THR 3 HG23 THR 3 7.523 -6.198 4.838
25 H LYS 4 HN LYS 4 5.462 -6.085 0.414
26 HA LYS 4 HA LYS 4 3.964 -3.856 -0.497
27 HB2 LYS 4 HB2 LYS 4 3.295 -5.281 -2.368
28 HB3 LYS 4 HB1 LYS 4 5.021 -5.404 -2.064
29 HG2 LYS 4 HG2 LYS 4 4.634 -7.524 -0.874
30 HG3 LYS 4 HG1 LYS 4 2.919 -7.401 -1.273
31 HD2 LYS 4 HD2 LYS 4 3.452 -7.466 -3.649
32 HD3 LYS 4 HD1 LYS 4 5.176 -7.514 -3.277
33 HE2 LYS 4 HE2 LYS 4 4.477 -9.739 -3.788
34 HE3 LYS 4 HE1 LYS 4 4.780 -9.650 -2.056
35 HZ1 LYS 4 HZ1 LYS 4 2.751 -10.859 -2.541
36 HZ2 LYS 4 HZ2 LYS 4 2.112 -9.519 -3.350
37 HZ3 LYS 4 HZ3 LYS 4 2.403 -9.443 -1.688
38 HA PRO 5 HA PRO 5 0.158 -4.662 1.652
39 HB2 PRO 5 HB2 PRO 5 -1.400 -2.935 0.248
40 HB3 PRO 5 HB1 PRO 5 -0.236 -2.401 1.469
41 HG2 PRO 5 HG2 PRO 5 0.012 -2.418 -1.493
42 HG3 PRO 5 HG1 PRO 5 0.524 -1.191 -0.319
43 HD2 PRO 5 HD2 PRO 5 2.236 -2.963 -1.445
44 HD3 PRO 5 HD1 PRO 5 2.470 -2.287 0.184
45 H THR 6 HN THR 6 -1.999 -5.468 1.237
46 HA THR 6 HA THR 6 -2.025 -7.180 -1.143
47 HB THR 6 HB THR 6 -2.099 -8.346 1.017
48 HG1 THR 6 HG1 THR 6 -3.322 -9.767 0.065
49 HG21 THR 6 HG21 THR 6 -4.704 -6.882 1.424
50 HG22 THR 6 HG22 THR 6 -3.230 -6.683 2.370
51 HG23 THR 6 HG23 THR 6 -4.113 -8.207 2.425
52 H LYS 7 HN LYS 7 -3.774 -7.301 -2.500
53 HA LYS 7 HA LYS 7 -5.264 -4.959 -2.938
54 HB2 LYS 7 HB2 LYS 7 -5.759 -7.756 -3.964
55 HB3 LYS 7 HB1 LYS 7 -6.513 -6.304 -4.600
56 HG2 LYS 7 HG2 LYS 7 -3.563 -6.907 -4.638
57 HG3 LYS 7 HG1 LYS 7 -4.667 -7.084 -6.000
58 HD2 LYS 7 HD2 LYS 7 -3.876 -4.525 -4.605
59 HD3 LYS 7 HD1 LYS 7 -3.473 -5.017 -6.249
60 HE2 LYS 7 HE2 LYS 7 -6.217 -4.348 -5.184
61 HE3 LYS 7 HE1 LYS 7 -5.250 -3.378 -6.291
62 HZ1 LYS 7 HZ1 LYS 7 -6.940 -4.598 -7.480
63 HZ2 LYS 7 HZ2 LYS 7 -6.374 -6.066 -6.866
64 HZ3 LYS 7 HZ3 LYS 7 -5.411 -5.167 -7.923
65 HA PRO 8 HA PRO 8 -8.598 -5.636 0.026
66 HB2 PRO 8 HB2 PRO 8 -9.712 -3.252 -1.315
67 HB3 PRO 8 HB1 PRO 8 -9.310 -3.493 0.397
68 HG2 PRO 8 HG2 PRO 8 -7.872 -1.888 -1.174
69 HG3 PRO 8 HG1 PRO 8 -7.127 -2.852 0.119
70 HD2 PRO 8 HD2 PRO 8 -7.156 -3.354 -2.833
71 HD3 PRO 8 HD1 PRO 8 -5.843 -3.595 -1.654
72 H GLY 9 HN GLY 9 -10.428 -6.782 -0.237
73 HA2 GLY 9 HA2 GLY 9 -11.436 -7.122 -2.978
74 HA3 GLY 9 HA1 GLY 9 -11.700 -8.239 -1.648
75 H ASP 10 HN ASP 10 -13.015 -7.349 0.188
76 HA ASP 10 HA ASP 10 -15.385 -6.046 -0.894
77 HB2 ASP 10 HB2 ASP 10 -15.717 -7.990 0.548
78 HB3 ASP 10 HB1 ASP 10 -14.824 -7.209 1.851
79 H ASN 11 HN ASN 11 -12.742 -5.436 1.257
80 HA ASN 11 HA ASN 11 -13.810 -2.975 2.291
81 HB2 ASN 11 HB2 ASN 11 -11.604 -2.738 3.384
82 HB3 ASN 11 HB1 ASN 11 -12.346 -4.298 3.711
83 HD21 ASN 11 HD21 ASN 11 -9.535 -3.465 3.802
84 HD22 ASN 11 HD22 ASN 11 -8.694 -4.536 2.744
85 H ALA 12 HN ALA 12 -12.971 -3.621 -0.676
86 HA ALA 12 HA ALA 12 -11.094 -1.545 -1.293
87 HB1 ALA 12 HB1 ALA 12 -12.896 -3.104 -3.135
88 HB2 ALA 12 HB2 ALA 12 -11.276 -3.589 -2.638
89 HB3 ALA 12 HB3 ALA 12 -11.502 -2.131 -3.608
90 H THR 13 HN THR 13 -13.636 -0.861 0.097
91 HA THR 13 HA THR 13 -15.310 0.608 -1.653
92 HB THR 13 HB THR 13 -16.001 1.778 0.502
93 HG1 THR 13 HG1 THR 13 -14.987 -0.103 2.136
94 HG21 THR 13 HG21 THR 13 -17.185 -0.154 -0.437
95 HG22 THR 13 HG22 THR 13 -17.201 -0.169 1.325
96 HG23 THR 13 HG23 THR 13 -16.108 -1.235 0.444
97 HA PRO 14 HA PRO 14 -13.060 4.114 -2.963
98 HB2 PRO 14 HB2 PRO 14 -15.282 5.668 -1.679
99 HB3 PRO 14 HB1 PRO 14 -14.568 5.853 -3.292
100 HG2 PRO 14 HG2 PRO 14 -16.905 4.617 -2.910
101 HG3 PRO 14 HG1 PRO 14 -15.765 4.136 -4.186
102 HD2 PRO 14 HD2 PRO 14 -16.504 2.704 -1.728
103 HD3 PRO 14 HD1 PRO 14 -15.715 2.093 -3.190
104 H GLU 15 HN GLU 15 -14.451 4.449 0.301
105 HA GLU 15 HA GLU 15 -12.614 6.473 1.099
106 HB2 GLU 15 HB2 GLU 15 -14.454 4.696 2.700
107 HB3 GLU 15 HB1 GLU 15 -13.533 6.028 3.384
108 HG2 GLU 15 HG2 GLU 15 -14.724 7.620 2.073
109 HG3 GLU 15 HG1 GLU 15 -15.503 6.344 1.142
110 H LYS 16 HN LYS 16 -12.796 2.985 1.786
111 HA LYS 16 HA LYS 16 -10.401 2.997 3.365
112 HB2 LYS 16 HB2 LYS 16 -12.176 1.344 3.754
113 HB3 LYS 16 HB1 LYS 16 -11.945 0.698 2.133
114 HG2 LYS 16 HG2 LYS 16 -10.898 -0.775 3.680
115 HG3 LYS 16 HG1 LYS 16 -9.628 0.066 2.793
116 HD2 LYS 16 HD2 LYS 16 -9.255 1.554 4.659
117 HD3 LYS 16 HD1 LYS 16 -10.616 0.847 5.535
118 HE2 LYS 16 HE2 LYS 16 -9.456 -1.302 5.603
119 HE3 LYS 16 HE1 LYS 16 -8.103 -0.608 4.714
120 HZ1 LYS 16 HZ1 LYS 16 -9.017 0.170 7.427
121 HZ2 LYS 16 HZ2 LYS 16 -7.792 0.954 6.571
122 HZ3 LYS 16 HZ3 LYS 16 -7.594 -0.655 7.041
123 H LEU 17 HN LEU 17 -11.240 2.526 0.041
124 HA LEU 17 HA LEU 17 -8.826 1.368 -0.862
125 HB2 LEU 17 HB2 LEU 17 -10.991 1.384 -2.100
126 HB3 LEU 17 HB1 LEU 17 -10.768 3.099 -2.385
127 HG LEU 17 HG LEU 17 -8.773 2.625 -3.730
128 HD11 LEU 17 HD11 LEU 17 -9.458 -0.265 -3.214
129 HD12 LEU 17 HD12 LEU 17 -8.055 0.589 -2.578
130 HD13 LEU 17 HD13 LEU 17 -8.211 0.323 -4.313
131 HD21 LEU 17 HD21 LEU 17 -11.182 0.995 -4.520
132 HD22 LEU 17 HD22 LEU 17 -9.923 1.579 -5.610
133 HD23 LEU 17 HD23 LEU 17 -10.980 2.727 -4.786
134 H ALA 18 HN ALA 18 -9.938 4.658 -0.395
135 HA ALA 18 HA ALA 18 -7.751 6.002 -1.554
136 HB1 ALA 18 HB1 ALA 18 -9.559 6.880 0.697
137 HB2 ALA 18 HB2 ALA 18 -9.863 7.112 -1.023
138 HB3 ALA 18 HB3 ALA 18 -8.506 7.932 -0.250
139 H LYS 19 HN LYS 19 -8.427 4.950 1.755
140 HA LYS 19 HA LYS 19 -6.024 5.791 2.927
141 HB2 LYS 19 HB2 LYS 19 -7.979 5.047 4.226
142 HB3 LYS 19 HB1 LYS 19 -7.751 3.407 3.635
143 HG2 LYS 19 HG2 LYS 19 -6.891 3.565 5.866
144 HG3 LYS 19 HG1 LYS 19 -5.546 3.350 4.743
145 HD2 LYS 19 HD2 LYS 19 -5.104 5.757 4.816
146 HD3 LYS 19 HD1 LYS 19 -6.446 5.970 5.940
147 HE2 LYS 19 HE2 LYS 19 -5.305 4.518 7.555
148 HE3 LYS 19 HE1 LYS 19 -3.958 4.337 6.432
149 HZ1 LYS 19 HZ1 LYS 19 -4.858 6.876 7.678
150 HZ2 LYS 19 HZ2 LYS 19 -3.596 6.733 6.564
151 HZ3 LYS 19 HZ3 LYS 19 -3.467 6.006 8.082
152 HA 4PH 20 HA 4PH 20 -4.542 1.445 1.561
153 HB2 4PH 20 HB1 4PH 20 -6.503 1.382 -0.739
154 HB3 4PH 20 HB2 4PH 20 -6.583 0.406 0.719
155 HD2 4PH 20 HD2 4PH 20 -5.572 0.477 -2.626
156 HD1 4PH 20 HD1 4PH 20 -4.493 -1.097 1.169
157 HE2 4PH 20 HE2 4PH 20 -4.257 -1.282 -3.735
158 HE1 4PH 20 HE1 4PH 20 -3.189 -2.858 0.071
159 H33 4PH 20 H33 4PH 20 -2.042 -3.412 -1.876
160 H33A 4PH 20 H33A 4PH 20 -3.470 -4.015 -2.716
161 H33B 4PH 20 H33B 4PH 20 -2.482 -2.747 -3.449
162 H 4PH 20 HN 4PH 20 -6.900 2.918 1.132
163 H GLN 21 HN GLN 21 -5.474 3.769 -0.960
164 HA GLN 21 HA GLN 21 -3.149 3.550 -2.520
165 HB2 GLN 21 HB2 GLN 21 -4.995 5.906 -2.120
166 HB3 GLN 21 HB1 GLN 21 -3.747 5.821 -3.357
167 HG2 GLN 21 HG2 GLN 21 -6.082 3.941 -3.094
168 HG3 GLN 21 HG1 GLN 21 -5.958 5.275 -4.242
169 HE21 GLN 21 HE21 GLN 21 -4.755 2.119 -3.374
170 HE22 GLN 21 HE22 GLN 21 -3.999 1.772 -4.884
171 H ALA 22 HN ALA 22 -3.850 5.390 0.378
172 HA ALA 22 HA ALA 22 -1.490 6.948 0.405
173 HB1 ALA 22 HB1 ALA 22 -3.445 7.507 1.750
174 HB2 ALA 22 HB2 ALA 22 -2.016 7.320 2.765
175 HB3 ALA 22 HB3 ALA 22 -3.224 6.036 2.695
176 H ASP 23 HN ASP 23 -2.322 3.759 1.602
177 HA ASP 23 HA ASP 23 0.126 3.250 2.960
178 HB2 ASP 23 HB2 ASP 23 -2.060 1.956 3.225
179 HB3 ASP 23 HB1 ASP 23 -1.653 1.154 1.711
180 H LEU 24 HN LEU 24 -1.027 2.627 -0.326
181 HA LEU 24 HA LEU 24 1.244 1.346 -1.334
182 HB2 LEU 24 HB2 LEU 24 -0.906 3.001 -2.564
183 HB3 LEU 24 HB1 LEU 24 0.530 2.676 -3.516
184 HG LEU 24 HG LEU 24 -1.380 1.117 -3.927
185 HD11 LEU 24 HD11 LEU 24 0.882 0.496 -4.526
186 HD12 LEU 24 HD12 LEU 24 0.008 -0.910 -3.913
187 HD13 LEU 24 HD13 LEU 24 1.183 -0.087 -2.888
188 HD21 LEU 24 HD21 LEU 24 -0.712 0.178 -1.146
189 HD22 LEU 24 HD22 LEU 24 -1.764 -0.663 -2.283
190 HD23 LEU 24 HD23 LEU 24 -2.220 0.925 -1.666
191 H ALA 25 HN ALA 25 0.532 4.778 -0.936
192 HA ALA 25 HA ALA 25 2.811 5.791 -2.204
193 HB1 ALA 25 HB1 ALA 25 2.428 7.816 -0.899
194 HB2 ALA 25 HB2 ALA 25 1.320 6.935 0.152
195 HB3 ALA 25 HB3 ALA 25 0.915 7.183 -1.546
196 H LYS 26 HN LYS 26 2.299 4.598 1.071
197 HA LYS 26 HA LYS 26 4.847 5.303 2.086
198 HB2 LYS 26 HB2 LYS 26 2.933 3.122 2.939
199 HB3 LYS 26 HB1 LYS 26 4.347 3.623 3.851
200 HG2 LYS 26 HG2 LYS 26 3.384 5.865 4.092
201 HG3 LYS 26 HG1 LYS 26 1.959 5.335 3.198
202 HD2 LYS 26 HD2 LYS 26 1.532 3.634 4.921
203 HD3 LYS 26 HD1 LYS 26 2.936 4.208 5.821
204 HE2 LYS 26 HE2 LYS 26 1.876 6.423 6.001
205 HE3 LYS 26 HE1 LYS 26 0.458 5.795 5.168
206 HZ1 LYS 26 HZ1 LYS 26 1.504 4.910 7.800
207 HZ2 LYS 26 HZ2 LYS 26 0.223 4.169 6.984
208 HZ3 LYS 26 HZ3 LYS 26 0.074 5.767 7.515
209 HA 4PH 27 HA 4PH 27 5.902 0.874 0.748
210 HB2 4PH 27 HB1 4PH 27 3.536 0.699 -1.126
211 HB3 4PH 27 HB2 4PH 27 3.811 -0.236 0.333
212 HD2 4PH 27 HD2 4PH 27 3.754 -0.464 -3.065
213 HD1 4PH 27 HD1 4PH 27 6.238 -1.508 0.228
214 HE2 4PH 27 HE2 4PH 27 4.791 -2.241 -4.411
215 HE1 4PH 27 HE1 4PH 27 7.276 -3.290 -1.112
216 H33 4PH 27 H33 4PH 27 7.550 -3.463 -4.119
217 H33A 4PH 27 H33A 4PH 27 6.999 -4.677 -2.962
218 H33B 4PH 27 H33B 4PH 27 5.978 -4.225 -4.333
219 H 4PH 27 HN 4PH 27 3.569 2.475 0.452
220 H GLN 28 HN GLN 28 4.612 2.817 -1.933
221 HA GLN 28 HA GLN 28 6.647 2.196 -3.770
222 HB2 GLN 28 HB2 GLN 28 4.846 4.620 -3.604
223 HB3 GLN 28 HB1 GLN 28 5.878 4.248 -4.978
224 HG2 GLN 28 HG2 GLN 28 4.632 2.243 -5.443
225 HG3 GLN 28 HG1 GLN 28 3.689 2.433 -3.967
226 HE21 GLN 28 HE21 GLN 28 2.776 2.254 -6.722
227 HE22 GLN 28 HE22 GLN 28 1.879 3.695 -7.029
228 H LYS 29 HN LYS 29 6.320 4.793 -1.418
229 HA LYS 29 HA LYS 29 8.555 6.301 -2.260
230 HB2 LYS 29 HB2 LYS 29 6.742 7.216 -0.875
231 HB3 LYS 29 HB1 LYS 29 7.222 6.171 0.452
232 HG2 LYS 29 HG2 LYS 29 9.350 7.328 0.620
233 HG3 LYS 29 HG1 LYS 29 8.913 8.350 -0.746
234 HD2 LYS 29 HD2 LYS 29 7.453 8.218 1.890
235 HD3 LYS 29 HD1 LYS 29 8.565 9.495 1.397
236 HE2 LYS 29 HE2 LYS 29 5.975 8.784 0.017
237 HE3 LYS 29 HE1 LYS 29 6.216 10.147 1.103
238 HZ1 LYS 29 HZ1 LYS 29 7.571 9.743 -1.508
239 HZ2 LYS 29 HZ2 LYS 29 7.855 11.030 -0.453
240 HZ3 LYS 29 HZ3 LYS 29 6.341 10.856 -1.181
241 H ASP 30 HN ASP 30 8.159 3.719 0.116
242 HA ASP 30 HA ASP 30 10.876 3.988 1.052
243 HB2 ASP 30 HB2 ASP 30 8.991 3.237 2.533
244 HB3 ASP 30 HB1 ASP 30 8.943 1.731 1.622
245 H LEU 31 HN LEU 31 9.113 1.887 -1.146
246 HA LEU 31 HA LEU 31 11.086 -0.074 -1.524
247 HB2 LEU 31 HB2 LEU 31 8.581 0.080 -2.293
248 HB3 LEU 31 HB1 LEU 31 9.258 0.821 -3.725
249 HG LEU 31 HG LEU 31 8.761 -1.599 -3.972
250 HD11 LEU 31 HD11 LEU 31 10.890 -2.218 -5.013
251 HD12 LEU 31 HD12 LEU 31 11.660 -0.837 -4.231
252 HD13 LEU 31 HD13 LEU 31 10.392 -0.578 -5.431
253 HD21 LEU 31 HD21 LEU 31 10.111 -3.244 -2.874
254 HD22 LEU 31 HD22 LEU 31 9.358 -2.217 -1.652
255 HD23 LEU 31 HD23 LEU 31 11.059 -1.995 -2.070
256 H ALA 32 HN ALA 32 10.506 3.014 -3.121
257 HA ALA 32 HA ALA 32 12.454 2.786 -5.130
258 HB1 ALA 32 HB1 ALA 32 10.658 4.439 -5.182
259 HB2 ALA 32 HB2 ALA 32 12.238 5.208 -5.348
260 HB3 ALA 32 HB3 ALA 32 11.384 5.270 -3.806
261 H ASP 33 HN ASP 33 12.638 3.755 -1.794
262 HA ASP 33 HA ASP 33 15.342 4.762 -2.039
263 HB2 ASP 33 HB2 ASP 33 13.839 5.893 -0.504
264 HB3 ASP 33 HB1 ASP 33 13.543 4.392 0.365
265 HA 4PH 34 HA 4PH 34 16.000 0.727 0.282
266 HB2 4PH 34 HB1 4PH 34 13.485 -0.630 -0.689
267 HB3 4PH 34 HB2 4PH 34 13.648 0.176 0.864
268 HD2 4PH 34 HD2 4PH 34 15.522 -0.679 2.414
269 HD1 4PH 34 HD1 4PH 34 13.950 -2.895 -0.860
270 HE2 4PH 34 HE2 4PH 34 16.327 -2.760 3.443
271 HE1 4PH 34 HE1 4PH 34 14.753 -4.979 0.163
272 H33 4PH 34 H33 4PH 34 15.380 -5.983 2.162
273 H33A 4PH 34 H33A 4PH 34 17.038 -5.383 2.117
274 H33B 4PH 34 H33B 4PH 34 16.015 -5.064 3.522
275 H 4PH 34 HN 4PH 34 13.741 1.840 -1.090
276 HN1 NH2 35 HN1 NH2 35 17.691 -0.101 -0.682
277 HN2 NH2 35 HN2 NH2 35 17.731 -0.842 -2.242
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 14.704 -2.632 6.344
2 H2 ACE 0 HA2 ACE 0 13.609 -2.488 4.970
3 H3 ACE 0 HA3 ACE 0 14.979 -3.592 4.858
4 HA PRO 1 HA PRO 1 13.030 -4.617 3.309
5 HB2 PRO 1 HB2 PRO 1 11.462 -6.901 3.098
6 HB3 PRO 1 HB1 PRO 1 13.201 -6.832 2.748
7 HG2 PRO 1 HG2 PRO 1 11.807 -7.777 5.198
8 HG3 PRO 1 HG1 PRO 1 13.249 -8.428 4.385
9 HD2 PRO 1 HD2 PRO 1 13.450 -6.951 6.618
10 HD3 PRO 1 HD1 PRO 1 14.658 -6.842 5.319
11 HA PRO 2 HA PRO 2 9.183 -2.470 4.219
12 HB2 PRO 2 HB2 PRO 2 8.945 -2.813 1.257
13 HB3 PRO 2 HB1 PRO 2 8.746 -1.344 2.234
14 HG2 PRO 2 HG2 PRO 2 10.924 -1.749 0.782
15 HG3 PRO 2 HG1 PRO 2 10.989 -0.953 2.366
16 HD2 PRO 2 HD2 PRO 2 11.872 -3.675 1.594
17 HD3 PRO 2 HD1 PRO 2 12.471 -2.613 2.884
18 H THR 3 HN THR 3 7.069 -3.098 4.485
19 HA THR 3 HA THR 3 6.400 -5.826 3.691
20 HB THR 3 HB THR 3 4.343 -5.357 5.155
21 HG1 THR 3 HG1 THR 3 5.646 -3.465 6.614
22 HG21 THR 3 HG21 THR 3 5.579 -5.774 7.224
23 HG22 THR 3 HG22 THR 3 7.079 -5.286 6.437
24 HG23 THR 3 HG23 THR 3 6.229 -6.732 5.895
25 H LYS 4 HN LYS 4 5.349 -6.125 1.839
26 HA LYS 4 HA LYS 4 4.031 -3.919 0.544
27 HB2 LYS 4 HB2 LYS 4 3.814 -5.311 -1.366
28 HB3 LYS 4 HB1 LYS 4 5.388 -5.677 -0.675
29 HG2 LYS 4 HG2 LYS 4 4.508 -7.703 0.316
30 HG3 LYS 4 HG1 LYS 4 2.897 -7.324 -0.310
31 HD2 LYS 4 HD2 LYS 4 3.836 -7.374 -2.604
32 HD3 LYS 4 HD1 LYS 4 5.383 -7.882 -1.928
33 HE2 LYS 4 HE2 LYS 4 4.362 -9.899 -1.050
34 HE3 LYS 4 HE1 LYS 4 2.783 -9.377 -1.636
35 HZ1 LYS 4 HZ1 LYS 4 5.143 -9.991 -3.330
36 HZ2 LYS 4 HZ2 LYS 4 3.639 -9.471 -3.898
37 HZ3 LYS 4 HZ3 LYS 4 3.778 -10.974 -3.135
38 HA PRO 5 HA PRO 5 -0.041 -4.935 1.953
39 HB2 PRO 5 HB2 PRO 5 -1.413 -3.222 0.414
40 HB3 PRO 5 HB1 PRO 5 -0.336 -2.648 1.695
41 HG2 PRO 5 HG2 PRO 5 0.085 -2.700 -1.237
42 HG3 PRO 5 HG1 PRO 5 0.598 -1.503 -0.036
43 HD2 PRO 5 HD2 PRO 5 2.198 -3.502 -1.121
44 HD3 PRO 5 HD1 PRO 5 2.547 -2.584 0.358
45 H THR 6 HN THR 6 -2.125 -5.695 1.176
46 HA THR 6 HA THR 6 -1.931 -7.139 -1.375
47 HB THR 6 HB THR 6 -2.113 -8.671 0.486
48 HG1 THR 6 HG1 THR 6 -3.249 -9.404 -1.270
49 HG21 THR 6 HG21 THR 6 -3.120 -7.225 2.149
50 HG22 THR 6 HG22 THR 6 -4.092 -8.685 1.959
51 HG23 THR 6 HG23 THR 6 -4.622 -7.170 1.228
52 H LYS 7 HN LYS 7 -3.583 -7.027 -2.840
53 HA LYS 7 HA LYS 7 -5.045 -4.637 -2.985
54 HB2 LYS 7 HB2 LYS 7 -5.297 -7.224 -4.507
55 HB3 LYS 7 HB1 LYS 7 -6.249 -5.796 -4.884
56 HG2 LYS 7 HG2 LYS 7 -3.238 -5.919 -4.909
57 HG3 LYS 7 HG1 LYS 7 -4.274 -6.051 -6.330
58 HD2 LYS 7 HD2 LYS 7 -5.182 -3.805 -5.840
59 HD3 LYS 7 HD1 LYS 7 -4.075 -3.679 -4.473
60 HE2 LYS 7 HE2 LYS 7 -3.192 -2.497 -6.405
61 HE3 LYS 7 HE1 LYS 7 -2.170 -3.871 -5.992
62 HZ1 LYS 7 HZ1 LYS 7 -3.134 -5.125 -7.782
63 HZ2 LYS 7 HZ2 LYS 7 -2.562 -3.653 -8.390
64 HZ3 LYS 7 HZ3 LYS 7 -4.218 -3.878 -8.139
65 HA PRO 8 HA PRO 8 -8.474 -5.675 -0.282
66 HB2 PRO 8 HB2 PRO 8 -9.583 -3.177 -1.415
67 HB3 PRO 8 HB1 PRO 8 -9.252 -3.598 0.277
68 HG2 PRO 8 HG2 PRO 8 -7.770 -1.821 -1.052
69 HG3 PRO 8 HG1 PRO 8 -7.068 -2.907 0.165
70 HD2 PRO 8 HD2 PRO 8 -6.940 -3.079 -2.816
71 HD3 PRO 8 HD1 PRO 8 -5.698 -3.462 -1.600
72 H GLY 9 HN GLY 9 -10.167 -6.929 -0.752
73 HA2 GLY 9 HA2 GLY 9 -11.307 -6.793 -3.455
74 HA3 GLY 9 HA1 GLY 9 -11.465 -8.148 -2.348
75 H ASP 10 HN ASP 10 -12.674 -7.632 -0.291
76 HA ASP 10 HA ASP 10 -15.189 -6.404 -1.035
77 HB2 ASP 10 HB2 ASP 10 -16.082 -7.379 0.961
78 HB3 ASP 10 HB1 ASP 10 -15.025 -8.579 0.230
79 H ASN 11 HN ASN 11 -12.469 -5.717 1.049
80 HA ASN 11 HA ASN 11 -13.816 -3.470 2.284
81 HB2 ASN 11 HB2 ASN 11 -11.853 -3.188 3.634
82 HB3 ASN 11 HB1 ASN 11 -12.211 -4.908 3.566
83 HD21 ASN 11 HD21 ASN 11 -9.987 -2.411 2.712
84 HD22 ASN 11 HD22 ASN 11 -8.723 -3.444 2.153
85 H ALA 12 HN ALA 12 -12.889 -3.812 -0.663
86 HA ALA 12 HA ALA 12 -11.093 -1.629 -1.112
87 HB1 ALA 12 HB1 ALA 12 -11.199 -3.577 -2.602
88 HB2 ALA 12 HB2 ALA 12 -11.478 -2.064 -3.468
89 HB3 ALA 12 HB3 ALA 12 -12.836 -3.116 -3.067
90 H THR 13 HN THR 13 -13.731 -1.185 0.269
91 HA THR 13 HA THR 13 -15.425 0.361 -1.340
92 HB THR 13 HB THR 13 -15.912 1.460 1.000
93 HG1 THR 13 HG1 THR 13 -14.279 0.741 2.258
94 HG21 THR 13 HG21 THR 13 -16.446 -1.460 0.450
95 HG22 THR 13 HG22 THR 13 -17.383 -0.109 -0.185
96 HG23 THR 13 HG23 THR 13 -17.358 -0.425 1.548
97 HA PRO 14 HA PRO 14 -13.230 3.821 -2.748
98 HB2 PRO 14 HB2 PRO 14 -15.500 5.334 -1.500
99 HB3 PRO 14 HB1 PRO 14 -14.769 5.533 -3.104
100 HG2 PRO 14 HG2 PRO 14 -17.056 4.220 -2.779
101 HG3 PRO 14 HG1 PRO 14 -15.851 3.726 -3.989
102 HD2 PRO 14 HD2 PRO 14 -16.633 2.380 -1.489
103 HD3 PRO 14 HD1 PRO 14 -15.799 1.724 -2.908
104 H GLU 15 HN GLU 15 -14.570 4.284 0.534
105 HA GLU 15 HA GLU 15 -12.869 6.484 1.120
106 HB2 GLU 15 HB2 GLU 15 -14.382 4.683 3.014
107 HB3 GLU 15 HB1 GLU 15 -13.643 6.216 3.446
108 HG2 GLU 15 HG2 GLU 15 -15.145 7.327 1.813
109 HG3 GLU 15 HG1 GLU 15 -15.932 5.772 1.549
110 H LYS 16 HN LYS 16 -12.720 3.040 1.963
111 HA LYS 16 HA LYS 16 -10.227 3.399 3.374
112 HB2 LYS 16 HB2 LYS 16 -11.900 1.743 4.143
113 HB3 LYS 16 HB1 LYS 16 -11.673 0.840 2.646
114 HG2 LYS 16 HG2 LYS 16 -9.452 0.263 3.231
115 HG3 LYS 16 HG1 LYS 16 -9.439 1.403 4.578
116 HD2 LYS 16 HD2 LYS 16 -11.233 0.068 5.653
117 HD3 LYS 16 HD1 LYS 16 -11.090 -1.110 4.345
118 HE2 LYS 16 HE2 LYS 16 -8.854 -1.640 4.965
119 HE3 LYS 16 HE1 LYS 16 -8.784 -0.292 6.099
120 HZ1 LYS 16 HZ1 LYS 16 -10.455 -1.387 7.450
121 HZ2 LYS 16 HZ2 LYS 16 -9.115 -2.393 7.237
122 HZ3 LYS 16 HZ3 LYS 16 -10.533 -2.679 6.361
123 H LEU 17 HN LEU 17 -11.297 2.483 0.213
124 HA LEU 17 HA LEU 17 -8.924 1.306 -0.746
125 HB2 LEU 17 HB2 LEU 17 -11.120 1.250 -1.906
126 HB3 LEU 17 HB1 LEU 17 -10.945 2.958 -2.258
127 HG LEU 17 HG LEU 17 -8.976 2.464 -3.648
128 HD11 LEU 17 HD11 LEU 17 -8.189 0.467 -2.518
129 HD12 LEU 17 HD12 LEU 17 -8.475 0.128 -4.223
130 HD13 LEU 17 HD13 LEU 17 -9.637 -0.405 -3.008
131 HD21 LEU 17 HD21 LEU 17 -11.417 0.837 -4.325
132 HD22 LEU 17 HD22 LEU 17 -10.182 1.369 -5.467
133 HD23 LEU 17 HD23 LEU 17 -11.199 2.556 -4.649
134 H ALA 18 HN ALA 18 -10.002 4.602 -0.375
135 HA ALA 18 HA ALA 18 -7.856 5.859 -1.728
136 HB1 ALA 18 HB1 ALA 18 -8.632 7.892 -0.614
137 HB2 ALA 18 HB2 ALA 18 -9.675 6.920 0.428
138 HB3 ALA 18 HB3 ALA 18 -9.974 6.983 -1.309
139 H LYS 19 HN LYS 19 -8.457 5.027 1.663
140 HA LYS 19 HA LYS 19 -6.047 6.080 2.691
141 HB2 LYS 19 HB2 LYS 19 -8.005 5.414 4.092
142 HB3 LYS 19 HB1 LYS 19 -7.628 3.728 3.758
143 HG2 LYS 19 HG2 LYS 19 -5.397 4.078 4.786
144 HG3 LYS 19 HG1 LYS 19 -5.908 5.702 5.241
145 HD2 LYS 19 HD2 LYS 19 -7.739 4.750 6.566
146 HD3 LYS 19 HD1 LYS 19 -7.216 3.125 6.113
147 HE2 LYS 19 HE2 LYS 19 -5.020 3.593 7.164
148 HE3 LYS 19 HE1 LYS 19 -5.644 5.151 7.699
149 HZ1 LYS 19 HZ1 LYS 19 -5.793 3.549 9.463
150 HZ2 LYS 19 HZ2 LYS 19 -6.673 2.482 8.491
151 HZ3 LYS 19 HZ3 LYS 19 -7.353 3.958 8.956
152 HA 4PH 20 HA 4PH 20 -4.550 1.597 1.716
153 HB2 4PH 20 HB1 4PH 20 -6.496 1.449 -0.593
154 HB3 4PH 20 HB2 4PH 20 -6.547 0.489 0.877
155 HD2 4PH 20 HD2 4PH 20 -5.437 0.630 -2.469
156 HD1 4PH 20 HD1 4PH 20 -4.523 -1.038 1.331
157 HE2 4PH 20 HE2 4PH 20 -4.062 -1.090 -3.562
158 HE1 4PH 20 HE1 4PH 20 -3.159 -2.763 0.249
159 H33 4PH 20 H33 4PH 20 -1.921 -3.257 -1.649
160 H33A 4PH 20 H33A 4PH 20 -3.283 -3.835 -2.603
161 H33B 4PH 20 H33B 4PH 20 -2.260 -2.530 -3.215
162 H 4PH 20 HN 4PH 20 -6.920 3.009 1.248
163 H GLN 21 HN GLN 21 -5.492 3.707 -0.992
164 HA GLN 21 HA GLN 21 -3.123 3.520 -2.454
165 HB2 GLN 21 HB2 GLN 21 -5.144 5.740 -2.217
166 HB3 GLN 21 HB1 GLN 21 -3.777 5.817 -3.322
167 HG2 GLN 21 HG2 GLN 21 -5.871 3.660 -3.319
168 HG3 GLN 21 HG1 GLN 21 -5.851 5.053 -4.402
169 HE21 GLN 21 HE21 GLN 21 -4.313 2.033 -3.586
170 HE22 GLN 21 HE22 GLN 21 -3.396 1.883 -5.037
171 H ALA 22 HN ALA 22 -3.928 5.487 0.332
172 HA ALA 22 HA ALA 22 -1.660 7.158 0.298
173 HB1 ALA 22 HB1 ALA 22 -2.176 7.570 2.653
174 HB2 ALA 22 HB2 ALA 22 -3.309 6.216 2.640
175 HB3 ALA 22 HB3 ALA 22 -3.628 7.642 1.654
176 H ASP 23 HN ASP 23 -2.317 4.045 1.845
177 HA ASP 23 HA ASP 23 0.168 3.766 3.158
178 HB2 ASP 23 HB2 ASP 23 -2.063 2.353 3.335
179 HB3 ASP 23 HB1 ASP 23 -1.294 1.372 2.093
180 H LEU 24 HN LEU 24 -0.950 2.858 -0.057
181 HA LEU 24 HA LEU 24 1.369 1.537 -0.934
182 HB2 LEU 24 HB2 LEU 24 -0.907 2.893 -2.303
183 HB3 LEU 24 HB1 LEU 24 0.513 2.490 -3.249
184 HG LEU 24 HG LEU 24 -1.380 0.815 -3.307
185 HD11 LEU 24 HD11 LEU 24 1.331 -0.119 -2.366
186 HD12 LEU 24 HD12 LEU 24 0.858 0.225 -4.030
187 HD13 LEU 24 HD13 LEU 24 0.121 -1.125 -3.166
188 HD21 LEU 24 HD21 LEU 24 -2.000 0.891 -0.966
189 HD22 LEU 24 HD22 LEU 24 -0.412 0.276 -0.507
190 HD23 LEU 24 HD23 LEU 24 -1.522 -0.745 -1.423
191 H ALA 25 HN ALA 25 0.485 4.947 -0.901
192 HA ALA 25 HA ALA 25 2.568 5.939 -2.481
193 HB1 ALA 25 HB1 ALA 25 2.183 8.073 -1.375
194 HB2 ALA 25 HB2 ALA 25 1.265 7.264 -0.104
195 HB3 ALA 25 HB3 ALA 25 0.651 7.288 -1.757
196 H LYS 26 HN LYS 26 2.431 5.232 0.978
197 HA LYS 26 HA LYS 26 5.076 6.067 1.557
198 HB2 LYS 26 HB2 LYS 26 3.089 4.315 2.966
199 HB3 LYS 26 HB1 LYS 26 4.742 4.414 3.547
200 HG2 LYS 26 HG2 LYS 26 3.432 5.942 4.807
201 HG3 LYS 26 HG1 LYS 26 4.452 6.888 3.728
202 HD2 LYS 26 HD2 LYS 26 2.602 7.265 2.237
203 HD3 LYS 26 HD1 LYS 26 1.573 6.185 3.180
204 HE2 LYS 26 HE2 LYS 26 2.793 8.753 4.188
205 HE3 LYS 26 HE1 LYS 26 1.127 8.564 3.644
206 HZ1 LYS 26 HZ1 LYS 26 0.739 7.000 5.419
207 HZ2 LYS 26 HZ2 LYS 26 1.335 8.445 6.061
208 HZ3 LYS 26 HZ3 LYS 26 2.352 7.103 5.920
209 HA 4PH 27 HA 4PH 27 6.003 1.413 1.136
210 HB2 4PH 27 HB1 4PH 27 3.483 0.886 -0.432
211 HB3 4PH 27 HB2 4PH 27 3.945 0.220 1.127
212 HD2 4PH 27 HD2 4PH 27 3.640 -0.491 -2.248
213 HD1 4PH 27 HD1 4PH 27 6.267 -1.143 1.037
214 HE2 4PH 27 HE2 4PH 27 4.585 -2.439 -3.397
215 HE1 4PH 27 HE1 4PH 27 7.215 -3.102 -0.108
216 H33 4PH 27 H33 4PH 27 7.341 -3.650 -3.090
217 H33A 4PH 27 H33A 4PH 27 6.846 -4.706 -1.767
218 H33B 4PH 27 H33B 4PH 27 5.759 -4.415 -3.131
219 H 4PH 27 HN 4PH 27 3.652 2.921 0.766
220 H GLN 28 HN GLN 28 4.564 2.812 -1.797
221 HA GLN 28 HA GLN 28 6.449 1.719 -3.584
222 HB2 GLN 28 HB2 GLN 28 4.634 4.121 -3.803
223 HB3 GLN 28 HB1 GLN 28 5.621 3.533 -5.139
224 HG2 GLN 28 HG2 GLN 28 4.438 1.461 -5.205
225 HG3 GLN 28 HG1 GLN 28 3.608 1.819 -3.695
226 HE21 GLN 28 HE21 GLN 28 3.100 4.600 -4.447
227 HE22 GLN 28 HE22 GLN 28 1.829 4.545 -5.612
228 H LYS 29 HN LYS 29 6.515 4.559 -1.582
229 HA LYS 29 HA LYS 29 8.841 5.679 -2.851
230 HB2 LYS 29 HB2 LYS 29 7.280 7.156 -1.713
231 HB3 LYS 29 HB1 LYS 29 7.520 6.295 -0.200
232 HG2 LYS 29 HG2 LYS 29 9.875 7.004 -0.193
233 HG3 LYS 29 HG1 LYS 29 9.582 7.915 -1.675
234 HD2 LYS 29 HD2 LYS 29 8.065 8.367 0.887
235 HD3 LYS 29 HD1 LYS 29 9.519 9.262 0.447
236 HE2 LYS 29 HE2 LYS 29 7.001 9.147 -1.208
237 HE3 LYS 29 HE1 LYS 29 7.413 10.454 -0.101
238 HZ1 LYS 29 HZ1 LYS 29 8.970 9.645 -2.497
239 HZ2 LYS 29 HZ2 LYS 29 9.410 10.869 -1.421
240 HZ3 LYS 29 HZ3 LYS 29 8.011 11.029 -2.353
241 H ASP 30 HN ASP 30 8.171 3.878 0.139
242 HA ASP 30 HA ASP 30 10.859 3.905 1.059
243 HB2 ASP 30 HB2 ASP 30 8.992 3.540 2.601
244 HB3 ASP 30 HB1 ASP 30 8.586 2.037 1.783
245 H LEU 31 HN LEU 31 9.016 1.696 -0.948
246 HA LEU 31 HA LEU 31 10.922 -0.388 -1.058
247 HB2 LEU 31 HB2 LEU 31 8.429 -0.318 -1.811
248 HB3 LEU 31 HB1 LEU 31 9.063 0.310 -3.316
249 HG LEU 31 HG LEU 31 8.577 -2.132 -3.337
250 HD11 LEU 31 HD11 LEU 31 10.143 -1.204 -4.937
251 HD12 LEU 31 HD12 LEU 31 10.649 -2.814 -4.427
252 HD13 LEU 31 HD13 LEU 31 11.458 -1.387 -3.776
253 HD21 LEU 31 HD21 LEU 31 9.992 -3.665 -2.166
254 HD22 LEU 31 HD22 LEU 31 9.280 -2.545 -1.002
255 HD23 LEU 31 HD23 LEU 31 10.956 -2.344 -1.512
256 H ALA 32 HN ALA 32 10.362 2.480 -3.044
257 HA ALA 32 HA ALA 32 12.360 2.026 -4.964
258 HB1 ALA 32 HB1 ALA 32 10.578 3.674 -5.254
259 HB2 ALA 32 HB2 ALA 32 12.169 4.411 -5.452
260 HB3 ALA 32 HB3 ALA 32 11.267 4.648 -3.954
261 H ASP 33 HN ASP 33 12.392 3.614 -1.833
262 HA ASP 33 HA ASP 33 15.076 4.495 -1.901
263 HB2 ASP 33 HB2 ASP 33 13.600 5.463 -0.280
264 HB3 ASP 33 HB1 ASP 33 13.210 3.888 0.396
265 HA 4PH 34 HA 4PH 34 15.881 0.381 0.421
266 HB2 4PH 34 HB1 4PH 34 13.402 -0.947 -0.685
267 HB3 4PH 34 HB2 4PH 34 13.613 -0.387 0.967
268 HD2 4PH 34 HD2 4PH 34 15.683 -1.399 2.222
269 HD1 4PH 34 HD1 4PH 34 13.793 -3.171 -1.154
270 HE2 4PH 34 HE2 4PH 34 16.593 -3.590 2.866
271 HE1 4PH 34 HE1 4PH 34 14.698 -5.363 -0.516
272 H33 4PH 34 H33 4PH 34 17.175 -5.989 1.113
273 H33A 4PH 34 H33A 4PH 34 16.311 -5.898 2.650
274 H33B 4PH 34 H33B 4PH 34 15.536 -6.621 1.237
275 H 4PH 34 HN 4PH 34 13.567 1.551 -0.646
276 HN1 NH2 35 HN1 NH2 35 14.452 0.230 -2.782
277 HN2 NH2 35 HN2 NH2 35 15.786 -0.557 -3.553
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 13.867 -2.675 4.818
2 H2 ACE 0 HA2 ACE 0 14.396 -3.395 3.299
3 H3 ACE 0 HA3 ACE 0 15.485 -3.428 4.683
4 HA PRO 1 HA PRO 1 13.238 -4.815 2.034
5 HB2 PRO 1 HB2 PRO 1 12.169 -7.585 2.250
6 HB3 PRO 1 HB1 PRO 1 13.052 -6.820 0.915
7 HG2 PRO 1 HG2 PRO 1 14.218 -8.621 2.464
8 HG3 PRO 1 HG1 PRO 1 15.106 -7.208 1.852
9 HD2 PRO 1 HD2 PRO 1 14.017 -7.709 4.588
10 HD3 PRO 1 HD1 PRO 1 15.512 -6.887 4.097
11 HA PRO 2 HA PRO 2 9.248 -3.963 3.964
12 HB2 PRO 2 HB2 PRO 2 8.398 -2.195 2.051
13 HB3 PRO 2 HB1 PRO 2 9.528 -1.745 3.348
14 HG2 PRO 2 HG2 PRO 2 10.072 -2.372 0.501
15 HG3 PRO 2 HG1 PRO 2 10.826 -1.167 1.563
16 HD2 PRO 2 HD2 PRO 2 11.969 -3.577 0.929
17 HD3 PRO 2 HD1 PRO 2 12.324 -2.672 2.414
18 H THR 3 HN THR 3 7.180 -4.730 3.600
19 HA THR 3 HA THR 3 6.858 -6.389 1.206
20 HB THR 3 HB THR 3 4.880 -7.324 2.546
21 HG1 THR 3 HG1 THR 3 6.083 -6.715 4.916
22 HG21 THR 3 HG21 THR 3 6.327 -8.829 3.812
23 HG22 THR 3 HG22 THR 3 7.682 -7.722 3.596
24 HG23 THR 3 HG23 THR 3 6.977 -8.537 2.199
25 H LYS 4 HN LYS 4 4.943 -6.347 0.002
26 HA LYS 4 HA LYS 4 3.516 -3.802 0.139
27 HB2 LYS 4 HB2 LYS 4 2.698 -4.298 -2.108
28 HB3 LYS 4 HB1 LYS 4 4.450 -4.416 -2.046
29 HG2 LYS 4 HG2 LYS 4 4.336 -6.810 -1.999
30 HG3 LYS 4 HG1 LYS 4 2.574 -6.754 -1.914
31 HD2 LYS 4 HD2 LYS 4 2.513 -5.684 -4.119
32 HD3 LYS 4 HD1 LYS 4 4.274 -5.746 -4.193
33 HE2 LYS 4 HE2 LYS 4 2.394 -8.099 -4.075
34 HE3 LYS 4 HE1 LYS 4 3.328 -7.569 -5.472
35 HZ1 LYS 4 HZ1 LYS 4 4.411 -8.638 -2.924
36 HZ2 LYS 4 HZ2 LYS 4 5.359 -8.016 -4.179
37 HZ3 LYS 4 HZ3 LYS 4 4.429 -9.404 -4.432
38 HA PRO 5 HA PRO 5 -0.095 -5.768 1.831
39 HB2 PRO 5 HB2 PRO 5 -1.942 -3.904 1.121
40 HB3 PRO 5 HB1 PRO 5 -0.774 -3.640 2.428
41 HG2 PRO 5 HG2 PRO 5 -0.699 -2.664 -0.383
42 HG3 PRO 5 HG1 PRO 5 -0.294 -1.809 1.117
43 HD2 PRO 5 HD2 PRO 5 1.582 -2.860 -0.528
44 HD3 PRO 5 HD1 PRO 5 1.806 -2.733 1.232
45 H THR 6 HN THR 6 -2.166 -6.663 1.157
46 HA THR 6 HA THR 6 -2.095 -7.530 -1.613
47 HB THR 6 HB THR 6 -2.478 -9.195 0.180
48 HG1 THR 6 HG1 THR 6 -4.758 -9.766 -0.895
49 HG21 THR 6 HG21 THR 6 -5.111 -7.767 0.536
50 HG22 THR 6 HG22 THR 6 -3.795 -7.825 1.708
51 HG23 THR 6 HG23 THR 6 -4.663 -9.301 1.286
52 H LYS 7 HN LYS 7 -3.939 -7.437 -2.983
53 HA LYS 7 HA LYS 7 -5.125 -4.869 -3.086
54 HB2 LYS 7 HB2 LYS 7 -5.886 -7.360 -4.615
55 HB3 LYS 7 HB1 LYS 7 -6.362 -5.720 -5.021
56 HG2 LYS 7 HG2 LYS 7 -3.548 -6.786 -5.017
57 HG3 LYS 7 HG1 LYS 7 -4.550 -6.508 -6.441
58 HD2 LYS 7 HD2 LYS 7 -4.657 -4.106 -5.835
59 HD3 LYS 7 HD1 LYS 7 -3.554 -4.429 -4.495
60 HE2 LYS 7 HE2 LYS 7 -2.971 -4.830 -7.426
61 HE3 LYS 7 HE1 LYS 7 -2.339 -3.542 -6.401
62 HZ1 LYS 7 HZ1 LYS 7 -1.770 -6.445 -6.164
63 HZ2 LYS 7 HZ2 LYS 7 -1.273 -5.290 -5.037
64 HZ3 LYS 7 HZ3 LYS 7 -0.687 -5.229 -6.620
65 HA PRO 8 HA PRO 8 -8.512 -5.602 -0.227
66 HB2 PRO 8 HB2 PRO 8 -9.515 -3.147 -1.583
67 HB3 PRO 8 HB1 PRO 8 -9.307 -3.474 0.151
68 HG2 PRO 8 HG2 PRO 8 -7.655 -1.859 -1.143
69 HG3 PRO 8 HG1 PRO 8 -7.063 -2.961 0.117
70 HD2 PRO 8 HD2 PRO 8 -6.839 -3.195 -2.854
71 HD3 PRO 8 HD1 PRO 8 -5.676 -3.651 -1.588
72 H GLY 9 HN GLY 9 -10.186 -6.899 -0.565
73 HA2 GLY 9 HA2 GLY 9 -11.389 -6.991 -3.241
74 HA3 GLY 9 HA1 GLY 9 -11.503 -8.250 -2.022
75 H ASP 10 HN ASP 10 -12.702 -7.594 -0.002
76 HA ASP 10 HA ASP 10 -15.195 -6.329 -0.836
77 HB2 ASP 10 HB2 ASP 10 -14.501 -7.847 1.689
78 HB3 ASP 10 HB1 ASP 10 -16.097 -7.226 1.287
79 H ASN 11 HN ASN 11 -12.403 -5.673 0.995
80 HA ASN 11 HA ASN 11 -13.618 -3.509 2.507
81 HB2 ASN 11 HB2 ASN 11 -11.352 -3.220 3.479
82 HB3 ASN 11 HB1 ASN 11 -11.967 -4.855 3.677
83 HD21 ASN 11 HD21 ASN 11 -9.211 -3.822 3.686
84 HD22 ASN 11 HD22 ASN 11 -8.373 -4.722 2.474
85 H ALA 12 HN ALA 12 -12.999 -3.724 -0.553
86 HA ALA 12 HA ALA 12 -11.172 -1.552 -1.014
87 HB1 ALA 12 HB1 ALA 12 -12.915 -3.011 -2.983
88 HB2 ALA 12 HB2 ALA 12 -11.301 -3.522 -2.496
89 HB3 ALA 12 HB3 ALA 12 -11.521 -1.995 -3.353
90 H THR 13 HN THR 13 -13.781 -1.088 0.402
91 HA THR 13 HA THR 13 -15.532 0.425 -1.160
92 HB THR 13 HB THR 13 -16.034 1.620 1.032
93 HG1 THR 13 HG1 THR 13 -13.704 0.650 1.692
94 HG21 THR 13 HG21 THR 13 -17.121 -0.332 2.007
95 HG22 THR 13 HG22 THR 13 -16.108 -1.398 1.034
96 HG23 THR 13 HG23 THR 13 -17.284 -0.343 0.251
97 HA PRO 14 HA PRO 14 -13.356 3.776 -2.866
98 HB2 PRO 14 HB2 PRO 14 -15.535 5.431 -1.636
99 HB3 PRO 14 HB1 PRO 14 -14.892 5.471 -3.289
100 HG2 PRO 14 HG2 PRO 14 -17.194 4.258 -2.708
101 HG3 PRO 14 HG1 PRO 14 -16.090 3.650 -3.961
102 HD2 PRO 14 HD2 PRO 14 -16.727 2.497 -1.327
103 HD3 PRO 14 HD1 PRO 14 -16.011 1.725 -2.752
104 H GLU 15 HN GLU 15 -14.648 4.615 0.371
105 HA GLU 15 HA GLU 15 -12.777 6.724 0.756
106 HB2 GLU 15 HB2 GLU 15 -14.469 5.233 2.762
107 HB3 GLU 15 HB1 GLU 15 -13.589 6.717 3.095
108 HG2 GLU 15 HG2 GLU 15 -14.938 7.872 1.402
109 HG3 GLU 15 HG1 GLU 15 -15.836 6.381 1.129
110 H LYS 16 HN LYS 16 -12.846 3.352 1.652
111 HA LYS 16 HA LYS 16 -10.491 3.552 3.313
112 HB2 LYS 16 HB2 LYS 16 -12.342 1.985 3.844
113 HB3 LYS 16 HB1 LYS 16 -12.006 1.110 2.351
114 HG2 LYS 16 HG2 LYS 16 -9.819 0.483 3.183
115 HG3 LYS 16 HG1 LYS 16 -10.092 1.419 4.657
116 HD2 LYS 16 HD2 LYS 16 -12.003 -0.017 5.205
117 HD3 LYS 16 HD1 LYS 16 -11.714 -0.955 3.739
118 HE2 LYS 16 HE2 LYS 16 -10.793 -2.077 5.700
119 HE3 LYS 16 HE1 LYS 16 -9.520 -1.607 4.576
120 HZ1 LYS 16 HZ1 LYS 16 -8.964 -1.140 6.902
121 HZ2 LYS 16 HZ2 LYS 16 -10.277 -0.078 7.007
122 HZ3 LYS 16 HZ3 LYS 16 -8.993 0.264 5.961
123 H LEU 17 HN LEU 17 -11.351 2.706 0.062
124 HA LEU 17 HA LEU 17 -8.963 1.394 -0.688
125 HB2 LEU 17 HB2 LEU 17 -11.100 1.285 -1.941
126 HB3 LEU 17 HB1 LEU 17 -10.893 2.967 -2.390
127 HG LEU 17 HG LEU 17 -8.896 2.391 -3.682
128 HD11 LEU 17 HD11 LEU 17 -8.137 0.497 -2.343
129 HD12 LEU 17 HD12 LEU 17 -8.300 0.049 -4.041
130 HD13 LEU 17 HD13 LEU 17 -9.527 -0.444 -2.874
131 HD21 LEU 17 HD21 LEU 17 -10.019 1.166 -5.454
132 HD22 LEU 17 HD22 LEU 17 -11.109 2.352 -4.733
133 HD23 LEU 17 HD23 LEU 17 -11.266 0.644 -4.320
134 H ALA 18 HN ALA 18 -10.006 4.728 -0.622
135 HA ALA 18 HA ALA 18 -7.783 5.887 -1.901
136 HB1 ALA 18 HB1 ALA 18 -8.523 7.971 -0.861
137 HB2 ALA 18 HB2 ALA 18 -9.605 7.060 0.194
138 HB3 ALA 18 HB3 ALA 18 -9.883 7.081 -1.547
139 H LYS 19 HN LYS 19 -8.462 5.054 1.454
140 HA LYS 19 HA LYS 19 -6.060 6.135 2.522
141 HB2 LYS 19 HB2 LYS 19 -8.135 5.600 3.841
142 HB3 LYS 19 HB1 LYS 19 -7.732 3.896 3.675
143 HG2 LYS 19 HG2 LYS 19 -5.619 4.287 4.847
144 HG3 LYS 19 HG1 LYS 19 -6.046 5.987 5.037
145 HD2 LYS 19 HD2 LYS 19 -8.025 5.341 6.331
146 HD3 LYS 19 HD1 LYS 19 -7.585 3.642 6.150
147 HE2 LYS 19 HE2 LYS 19 -5.912 5.748 7.514
148 HE3 LYS 19 HE1 LYS 19 -6.917 4.557 8.335
149 HZ1 LYS 19 HZ1 LYS 19 -4.601 3.942 6.579
150 HZ2 LYS 19 HZ2 LYS 19 -5.555 2.804 7.384
151 HZ3 LYS 19 HZ3 LYS 19 -4.599 3.881 8.267
152 HA 4PH 20 HA 4PH 20 -4.661 1.588 1.763
153 HB2 4PH 20 HB1 4PH 20 -6.599 1.407 -0.548
154 HB3 4PH 20 HB2 4PH 20 -6.608 0.445 0.922
155 HD2 4PH 20 HD2 4PH 20 -5.627 0.564 -2.448
156 HD1 4PH 20 HD1 4PH 20 -4.507 -1.037 1.324
157 HE2 4PH 20 HE2 4PH 20 -4.291 -1.158 -3.587
158 HE1 4PH 20 HE1 4PH 20 -3.175 -2.765 0.200
159 H33 4PH 20 H33 4PH 20 -2.495 -2.617 -3.331
160 H33A 4PH 20 H33A 4PH 20 -2.037 -3.292 -1.767
161 H33B 4PH 20 H33B 4PH 20 -3.468 -3.891 -2.606
162 H 4PH 20 HN 4PH 20 -6.990 3.035 1.174
163 H GLN 21 HN GLN 21 -5.477 3.703 -0.971
164 HA GLN 21 HA GLN 21 -3.110 3.412 -2.425
165 HB2 GLN 21 HB2 GLN 21 -4.962 5.782 -2.160
166 HB3 GLN 21 HB1 GLN 21 -3.644 5.701 -3.322
167 HG2 GLN 21 HG2 GLN 21 -5.929 3.749 -3.187
168 HG3 GLN 21 HG1 GLN 21 -5.849 5.133 -4.279
169 HE21 GLN 21 HE21 GLN 21 -4.581 1.978 -3.552
170 HE22 GLN 21 HE22 GLN 21 -3.761 1.745 -5.052
171 H ALA 22 HN ALA 22 -3.822 5.318 0.415
172 HA ALA 22 HA ALA 22 -1.517 6.952 0.374
173 HB1 ALA 22 HB1 ALA 22 -2.048 7.414 2.704
174 HB2 ALA 22 HB2 ALA 22 -3.188 6.067 2.718
175 HB3 ALA 22 HB3 ALA 22 -3.498 7.476 1.704
176 H ASP 23 HN ASP 23 -2.241 3.824 1.849
177 HA ASP 23 HA ASP 23 0.256 3.510 3.162
178 HB2 ASP 23 HB2 ASP 23 -1.865 2.175 3.617
179 HB3 ASP 23 HB1 ASP 23 -1.493 1.261 2.159
180 H LEU 24 HN LEU 24 -0.896 2.786 -0.063
181 HA LEU 24 HA LEU 24 1.374 1.339 -0.930
182 HB2 LEU 24 HB2 LEU 24 -0.877 2.722 -2.303
183 HB3 LEU 24 HB1 LEU 24 0.538 2.299 -3.251
184 HG LEU 24 HG LEU 24 -1.334 0.631 -3.331
185 HD11 LEU 24 HD11 LEU 24 1.294 -0.345 -2.215
186 HD12 LEU 24 HD12 LEU 24 0.951 0.009 -3.909
187 HD13 LEU 24 HD13 LEU 24 0.117 -1.318 -3.099
188 HD21 LEU 24 HD21 LEU 24 -0.493 0.117 -0.485
189 HD22 LEU 24 HD22 LEU 24 -1.622 -0.858 -1.428
190 HD23 LEU 24 HD23 LEU 24 -2.033 0.805 -1.001
191 H ALA 25 HN ALA 25 0.630 4.767 -0.796
192 HA ALA 25 HA ALA 25 2.843 5.673 -2.299
193 HB1 ALA 25 HB1 ALA 25 2.494 7.814 -1.173
194 HB2 ALA 25 HB2 ALA 25 1.418 7.035 -0.014
195 HB3 ALA 25 HB3 ALA 25 0.965 7.124 -1.714
196 H LYS 26 HN LYS 26 2.408 4.901 1.113
197 HA LYS 26 HA LYS 26 4.978 5.599 2.017
198 HB2 LYS 26 HB2 LYS 26 3.128 3.420 3.014
199 HB3 LYS 26 HB1 LYS 26 4.518 4.042 3.884
200 HG2 LYS 26 HG2 LYS 26 3.466 6.196 4.123
201 HG3 LYS 26 HG1 LYS 26 2.111 5.680 3.114
202 HD2 LYS 26 HD2 LYS 26 1.601 3.914 4.775
203 HD3 LYS 26 HD1 LYS 26 2.894 4.540 5.797
204 HE2 LYS 26 HE2 LYS 26 0.491 6.122 4.898
205 HE3 LYS 26 HE1 LYS 26 0.636 5.318 6.459
206 HZ1 LYS 26 HZ1 LYS 26 2.419 7.472 5.463
207 HZ2 LYS 26 HZ2 LYS 26 2.536 6.707 6.965
208 HZ3 LYS 26 HZ3 LYS 26 1.189 7.662 6.607
209 HA 4PH 27 HA 4PH 27 5.970 1.048 1.035
210 HB2 4PH 27 HB1 4PH 27 3.518 0.735 -0.689
211 HB3 4PH 27 HB2 4PH 27 3.932 -0.138 0.776
212 HD2 4PH 27 HD2 4PH 27 3.740 -0.371 -2.670
213 HD1 4PH 27 HD1 4PH 27 6.243 -1.489 0.583
214 HE2 4PH 27 HE2 4PH 27 4.724 -2.151 -4.044
215 HE1 4PH 27 HE1 4PH 27 7.226 -3.280 -0.786
216 H33 4PH 27 H33 4PH 27 6.902 -4.642 -2.646
217 H33A 4PH 27 H33A 4PH 27 5.886 -4.160 -4.008
218 H33B 4PH 27 H33B 4PH 27 7.477 -3.424 -3.780
219 H 4PH 27 HN 4PH 27 3.641 2.618 0.691
220 H GLN 28 HN GLN 28 4.644 2.696 -1.842
221 HA GLN 28 HA GLN 28 6.632 1.804 -3.603
222 HB2 GLN 28 HB2 GLN 28 4.832 4.223 -3.706
223 HB3 GLN 28 HB1 GLN 28 5.938 3.802 -5.007
224 HG2 GLN 28 HG2 GLN 28 4.795 1.622 -5.238
225 HG3 GLN 28 HG1 GLN 28 3.656 2.114 -3.984
226 HE21 GLN 28 HE21 GLN 28 1.907 1.954 -5.397
227 HE22 GLN 28 HE22 GLN 28 1.627 3.109 -6.647
228 H LYS 29 HN LYS 29 6.504 4.664 -1.540
229 HA LYS 29 HA LYS 29 8.830 5.856 -2.663
230 HB2 LYS 29 HB2 LYS 29 7.104 7.143 -1.443
231 HB3 LYS 29 HB1 LYS 29 7.574 6.337 0.044
232 HG2 LYS 29 HG2 LYS 29 8.516 8.596 -0.153
233 HG3 LYS 29 HG1 LYS 29 9.758 7.349 -0.037
234 HD2 LYS 29 HD2 LYS 29 10.359 8.998 -1.720
235 HD3 LYS 29 HD1 LYS 29 10.060 7.435 -2.474
236 HE2 LYS 29 HE2 LYS 29 9.061 9.184 -3.803
237 HE3 LYS 29 HE1 LYS 29 7.792 8.200 -3.080
238 HZ1 LYS 29 HZ1 LYS 29 7.344 10.593 -2.957
239 HZ2 LYS 29 HZ2 LYS 29 8.725 10.804 -2.006
240 HZ3 LYS 29 HZ3 LYS 29 7.429 9.882 -1.426
241 H ASP 30 HN ASP 30 8.251 3.831 0.195
242 HA ASP 30 HA ASP 30 10.962 3.947 1.090
243 HB2 ASP 30 HB2 ASP 30 9.050 3.378 2.594
244 HB3 ASP 30 HB1 ASP 30 8.878 1.844 1.745
245 H LEU 31 HN LEU 31 9.163 1.873 -1.063
246 HA LEU 31 HA LEU 31 11.160 -0.114 -1.413
247 HB2 LEU 31 HB2 LEU 31 8.610 -0.047 -2.080
248 HB3 LEU 31 HB1 LEU 31 9.215 0.663 -3.559
249 HG LEU 31 HG LEU 31 8.784 -1.747 -3.765
250 HD11 LEU 31 HD11 LEU 31 10.912 -2.386 -4.772
251 HD12 LEU 31 HD12 LEU 31 11.694 -1.016 -3.986
252 HD13 LEU 31 HD13 LEU 31 10.452 -0.740 -5.207
253 HD21 LEU 31 HD21 LEU 31 10.146 -3.363 -2.616
254 HD22 LEU 31 HD22 LEU 31 9.320 -2.337 -1.440
255 HD23 LEU 31 HD23 LEU 31 11.030 -2.080 -1.791
256 H ALA 32 HN ALA 32 10.355 2.897 -3.062
257 HA ALA 32 HA ALA 32 12.195 2.769 -5.150
258 HB1 ALA 32 HB1 ALA 32 10.348 4.377 -5.027
259 HB2 ALA 32 HB2 ALA 32 11.894 5.166 -5.344
260 HB3 ALA 32 HB3 ALA 32 11.187 5.224 -3.728
261 H ASP 33 HN ASP 33 12.530 4.013 -1.868
262 HA ASP 33 HA ASP 33 15.200 4.929 -2.193
263 HB2 ASP 33 HB2 ASP 33 13.880 5.812 -0.379
264 HB3 ASP 33 HB1 ASP 33 13.638 4.201 0.290
265 HA 4PH 34 HA 4PH 34 16.162 0.616 -0.394
266 HB2 4PH 34 HB1 4PH 34 13.665 -0.637 -1.557
267 HB3 4PH 34 HB2 4PH 34 13.899 -0.239 0.139
268 HD2 4PH 34 HD2 4PH 34 14.141 -2.781 -2.279
269 HD1 4PH 34 HD1 4PH 34 15.977 -1.329 1.273
270 HE2 4PH 34 HE2 4PH 34 15.117 -5.001 -1.884
271 HE1 4PH 34 HE1 4PH 34 16.954 -3.547 1.681
272 H33 4PH 34 H33 4PH 34 17.616 -5.718 -0.332
273 H33A 4PH 34 H33A 4PH 34 16.764 -5.822 1.210
274 H33B 4PH 34 H33B 4PH 34 16.003 -6.417 -0.273
275 H 4PH 34 HN 4PH 34 13.786 1.863 -1.296
276 HN1 NH2 35 HN1 NH2 35 17.875 0.184 -1.578
277 HN2 NH2 35 HN2 NH2 35 17.889 -0.235 -3.254
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 11.511 -0.297 4.933
2 H2 ACE 0 HA2 ACE 0 12.034 0.189 6.544
3 H3 ACE 0 HA3 ACE 0 10.716 -0.970 6.388
4 HA PRO 1 HA PRO 1 11.974 -3.960 4.379
5 HB2 PRO 1 HB2 PRO 1 10.216 -5.257 6.348
6 HB3 PRO 1 HB1 PRO 1 11.498 -5.962 5.346
7 HG2 PRO 1 HG2 PRO 1 11.765 -5.685 7.991
8 HG3 PRO 1 HG1 PRO 1 13.139 -5.522 6.875
9 HD2 PRO 1 HD2 PRO 1 11.540 -3.382 8.226
10 HD3 PRO 1 HD1 PRO 1 13.295 -3.480 7.965
11 HA PRO 2 HA PRO 2 8.242 -1.392 3.964
12 HB2 PRO 2 HB2 PRO 2 8.590 -1.920 1.108
13 HB3 PRO 2 HB1 PRO 2 8.661 -0.370 1.968
14 HG2 PRO 2 HG2 PRO 2 10.818 -1.545 0.850
15 HG3 PRO 2 HG1 PRO 2 10.900 -0.471 2.261
16 HD2 PRO 2 HD2 PRO 2 11.055 -3.452 2.146
17 HD3 PRO 2 HD1 PRO 2 11.917 -2.309 3.197
18 H THR 3 HN THR 3 6.457 -2.502 4.441
19 HA THR 3 HA THR 3 5.991 -5.159 3.518
20 HB THR 3 HB THR 3 3.744 -4.777 4.690
21 HG1 THR 3 HG1 THR 3 3.696 -2.927 6.035
22 HG21 THR 3 HG21 THR 3 4.743 -4.951 6.917
23 HG22 THR 3 HG22 THR 3 6.287 -4.395 6.274
24 HG23 THR 3 HG23 THR 3 5.620 -5.941 5.752
25 H LYS 4 HN LYS 4 5.047 -5.724 1.663
26 HA LYS 4 HA LYS 4 3.873 -3.752 -0.041
27 HB2 LYS 4 HB2 LYS 4 3.604 -5.477 -1.660
28 HB3 LYS 4 HB1 LYS 4 5.126 -5.810 -0.844
29 HG2 LYS 4 HG2 LYS 4 4.091 -7.537 0.472
30 HG3 LYS 4 HG1 LYS 4 2.510 -7.156 -0.219
31 HD2 LYS 4 HD2 LYS 4 3.416 -7.728 -2.460
32 HD3 LYS 4 HD1 LYS 4 4.917 -8.233 -1.683
33 HE2 LYS 4 HE2 LYS 4 3.740 -9.943 -0.442
34 HE3 LYS 4 HE1 LYS 4 2.198 -9.399 -1.099
35 HZ1 LYS 4 HZ1 LYS 4 2.921 -11.308 -2.307
36 HZ2 LYS 4 HZ2 LYS 4 4.439 -10.628 -2.605
37 HZ3 LYS 4 HZ3 LYS 4 3.062 -9.969 -3.327
38 HA PRO 5 HA PRO 5 -0.264 -4.199 1.491
39 HB2 PRO 5 HB2 PRO 5 -1.479 -2.594 -0.307
40 HB3 PRO 5 HB1 PRO 5 -0.431 -1.950 0.965
41 HG2 PRO 5 HG2 PRO 5 0.107 -2.308 -1.920
42 HG3 PRO 5 HG1 PRO 5 0.680 -1.059 -0.800
43 HD2 PRO 5 HD2 PRO 5 2.137 -3.274 -1.651
44 HD3 PRO 5 HD1 PRO 5 2.521 -2.252 -0.253
45 H THR 6 HN THR 6 -2.231 -5.217 0.920
46 HA THR 6 HA THR 6 -2.004 -6.886 -1.491
47 HB THR 6 HB THR 6 -2.049 -8.068 0.731
48 HG1 THR 6 HG1 THR 6 -4.256 -9.178 -0.269
49 HG21 THR 6 HG21 THR 6 -4.930 -7.171 0.750
50 HG22 THR 6 HG22 THR 6 -3.678 -6.619 1.860
51 HG23 THR 6 HG23 THR 6 -4.189 -8.305 1.878
52 H LYS 7 HN LYS 7 -3.772 -7.186 -2.828
53 HA LYS 7 HA LYS 7 -5.350 -4.925 -3.307
54 HB2 LYS 7 HB2 LYS 7 -5.567 -7.761 -4.295
55 HB3 LYS 7 HB1 LYS 7 -6.631 -6.478 -4.854
56 HG2 LYS 7 HG2 LYS 7 -3.629 -6.470 -5.103
57 HG3 LYS 7 HG1 LYS 7 -4.762 -6.897 -6.389
58 HD2 LYS 7 HD2 LYS 7 -5.757 -4.633 -6.204
59 HD3 LYS 7 HD1 LYS 7 -4.532 -4.226 -5.002
60 HE2 LYS 7 HE2 LYS 7 -2.774 -4.598 -6.634
61 HE3 LYS 7 HE1 LYS 7 -3.970 -5.070 -7.838
62 HZ1 LYS 7 HZ1 LYS 7 -3.740 -2.394 -6.576
63 HZ2 LYS 7 HZ2 LYS 7 -4.914 -2.841 -7.706
64 HZ3 LYS 7 HZ3 LYS 7 -3.283 -2.790 -8.154
65 HA PRO 8 HA PRO 8 -8.627 -5.666 -0.316
66 HB2 PRO 8 HB2 PRO 8 -9.756 -3.240 -1.563
67 HB3 PRO 8 HB1 PRO 8 -9.304 -3.526 0.129
68 HG2 PRO 8 HG2 PRO 8 -7.905 -1.887 -1.444
69 HG3 PRO 8 HG1 PRO 8 -7.126 -2.886 -0.201
70 HD2 PRO 8 HD2 PRO 8 -7.271 -3.331 -3.163
71 HD3 PRO 8 HD1 PRO 8 -5.905 -3.572 -2.044
72 H GLY 9 HN GLY 9 -10.390 -6.872 -0.614
73 HA2 GLY 9 HA2 GLY 9 -11.518 -7.020 -3.325
74 HA3 GLY 9 HA1 GLY 9 -11.691 -8.248 -2.080
75 H ASP 10 HN ASP 10 -12.909 -7.539 -0.116
76 HA ASP 10 HA ASP 10 -15.346 -6.178 -0.960
77 HB2 ASP 10 HB2 ASP 10 -14.762 -7.485 1.704
78 HB3 ASP 10 HB1 ASP 10 -16.338 -7.053 1.053
79 H ASN 11 HN ASN 11 -12.574 -5.771 1.051
80 HA ASN 11 HA ASN 11 -13.584 -3.471 2.463
81 HB2 ASN 11 HB2 ASN 11 -11.284 -3.307 3.374
82 HB3 ASN 11 HB1 ASN 11 -11.983 -4.904 3.600
83 HD21 ASN 11 HD21 ASN 11 -9.175 -3.962 3.480
84 HD22 ASN 11 HD22 ASN 11 -8.423 -4.939 2.275
85 H ALA 12 HN ALA 12 -13.020 -3.770 -0.605
86 HA ALA 12 HA ALA 12 -11.192 -1.630 -1.150
87 HB1 ALA 12 HB1 ALA 12 -13.099 -3.017 -3.020
88 HB2 ALA 12 HB2 ALA 12 -11.464 -3.563 -2.658
89 HB3 ALA 12 HB3 ALA 12 -11.719 -2.017 -3.472
90 H THR 13 HN THR 13 -13.648 -1.111 0.460
91 HA THR 13 HA THR 13 -15.448 0.485 -1.011
92 HB THR 13 HB THR 13 -15.954 1.512 1.252
93 HG1 THR 13 HG1 THR 13 -14.849 -0.308 2.802
94 HG21 THR 13 HG21 THR 13 -16.019 -1.502 1.068
95 HG22 THR 13 HG22 THR 13 -17.193 -0.405 0.346
96 HG23 THR 13 HG23 THR 13 -17.040 -0.499 2.099
97 HA PRO 14 HA PRO 14 -13.062 3.919 -2.343
98 HB2 PRO 14 HB2 PRO 14 -15.417 5.471 -1.333
99 HB3 PRO 14 HB1 PRO 14 -14.585 5.581 -2.896
100 HG2 PRO 14 HG2 PRO 14 -16.911 4.327 -2.652
101 HG3 PRO 14 HG1 PRO 14 -15.647 3.752 -3.761
102 HD2 PRO 14 HD2 PRO 14 -16.581 2.571 -1.217
103 HD3 PRO 14 HD1 PRO 14 -15.761 1.803 -2.585
104 H GLU 15 HN GLU 15 -14.702 4.206 0.774
105 HA GLU 15 HA GLU 15 -13.308 6.434 1.740
106 HB2 GLU 15 HB2 GLU 15 -14.650 4.167 3.207
107 HB3 GLU 15 HB1 GLU 15 -14.088 5.645 3.976
108 HG2 GLU 15 HG2 GLU 15 -15.660 6.957 2.796
109 HG3 GLU 15 HG1 GLU 15 -16.064 5.621 1.723
110 H LYS 16 HN LYS 16 -12.694 2.960 2.270
111 HA LYS 16 HA LYS 16 -10.236 3.626 3.678
112 HB2 LYS 16 HB2 LYS 16 -11.818 1.836 4.503
113 HB3 LYS 16 HB1 LYS 16 -11.335 0.868 3.108
114 HG2 LYS 16 HG2 LYS 16 -9.019 0.909 3.887
115 HG3 LYS 16 HG1 LYS 16 -9.503 1.878 5.278
116 HD2 LYS 16 HD2 LYS 16 -11.039 0.018 5.933
117 HD3 LYS 16 HD1 LYS 16 -10.326 -0.951 4.641
118 HE2 LYS 16 HE2 LYS 16 -8.862 0.243 6.993
119 HE3 LYS 16 HE1 LYS 16 -9.284 -1.454 6.786
120 HZ1 LYS 16 HZ1 LYS 16 -7.841 -1.570 4.876
121 HZ2 LYS 16 HZ2 LYS 16 -6.972 -0.982 6.204
122 HZ3 LYS 16 HZ3 LYS 16 -7.484 0.079 4.994
123 H LEU 17 HN LEU 17 -11.286 2.743 0.558
124 HA LEU 17 HA LEU 17 -8.938 1.486 -0.399
125 HB2 LEU 17 HB2 LEU 17 -11.153 1.435 -1.530
126 HB3 LEU 17 HB1 LEU 17 -10.947 3.130 -1.929
127 HG LEU 17 HG LEU 17 -9.028 2.581 -3.342
128 HD11 LEU 17 HD11 LEU 17 -8.222 0.631 -2.118
129 HD12 LEU 17 HD12 LEU 17 -8.483 0.251 -3.819
130 HD13 LEU 17 HD13 LEU 17 -9.651 -0.273 -2.608
131 HD21 LEU 17 HD21 LEU 17 -10.261 1.377 -5.081
132 HD22 LEU 17 HD22 LEU 17 -11.255 2.615 -4.313
133 HD23 LEU 17 HD23 LEU 17 -11.475 0.917 -3.890
134 H ALA 18 HN ALA 18 -9.913 4.787 0.062
135 HA ALA 18 HA ALA 18 -7.873 6.087 -1.354
136 HB1 ALA 18 HB1 ALA 18 -9.842 7.245 -0.516
137 HB2 ALA 18 HB2 ALA 18 -8.370 8.003 0.090
138 HB3 ALA 18 HB3 ALA 18 -9.322 6.954 1.142
139 H LYS 19 HN LYS 19 -8.067 4.962 2.003
140 HA LYS 19 HA LYS 19 -5.498 5.725 2.815
141 HB2 LYS 19 HB2 LYS 19 -7.126 5.016 4.450
142 HB3 LYS 19 HB1 LYS 19 -7.241 3.424 3.718
143 HG2 LYS 19 HG2 LYS 19 -5.942 3.300 5.740
144 HG3 LYS 19 HG1 LYS 19 -4.910 2.979 4.346
145 HD2 LYS 19 HD2 LYS 19 -3.715 4.406 5.860
146 HD3 LYS 19 HD1 LYS 19 -4.156 5.354 4.439
147 HE2 LYS 19 HE2 LYS 19 -6.047 6.307 5.661
148 HE3 LYS 19 HE1 LYS 19 -5.625 5.340 7.074
149 HZ1 LYS 19 HZ1 LYS 19 -4.790 7.555 7.337
150 HZ2 LYS 19 HZ2 LYS 19 -3.983 7.487 5.853
151 HZ3 LYS 19 HZ3 LYS 19 -3.478 6.508 7.133
152 HA 4PH 20 HA 4PH 20 -4.288 1.386 1.194
153 HB2 4PH 20 HB1 4PH 20 -6.525 1.363 -0.843
154 HB3 4PH 20 HB2 4PH 20 -6.425 0.360 0.600
155 HD2 4PH 20 HD2 4PH 20 -5.619 0.627 -2.846
156 HD1 4PH 20 HD1 4PH 20 -4.457 -1.246 0.783
157 HE2 4PH 20 HE2 4PH 20 -4.386 -1.071 -4.126
158 HE1 4PH 20 HE1 4PH 20 -3.239 -2.956 -0.485
159 H33 4PH 20 H33 4PH 20 -2.633 -2.603 -4.008
160 H33A 4PH 20 H33A 4PH 20 -2.158 -3.381 -2.499
161 H33B 4PH 20 H33B 4PH 20 -3.626 -3.888 -3.337
162 H 4PH 20 HN 4PH 20 -6.682 2.826 1.196
163 H GLN 21 HN GLN 21 -5.579 3.717 -1.171
164 HA GLN 21 HA GLN 21 -3.452 3.606 -2.995
165 HB2 GLN 21 HB2 GLN 21 -5.287 5.899 -2.279
166 HB3 GLN 21 HB1 GLN 21 -4.172 5.922 -3.639
167 HG2 GLN 21 HG2 GLN 21 -6.378 3.912 -3.271
168 HG3 GLN 21 HG1 GLN 21 -6.494 5.365 -4.265
169 HE21 GLN 21 HE21 GLN 21 -4.985 2.234 -3.934
170 HE22 GLN 21 HE22 GLN 21 -4.444 2.108 -5.566
171 H ALA 22 HN ALA 22 -3.863 5.428 -0.016
172 HA ALA 22 HA ALA 22 -1.518 6.992 -0.232
173 HB1 ALA 22 HB1 ALA 22 -2.989 6.090 2.239
174 HB2 ALA 22 HB2 ALA 22 -3.340 7.543 1.304
175 HB3 ALA 22 HB3 ALA 22 -1.802 7.392 2.157
176 H ASP 23 HN ASP 23 -2.220 3.845 1.202
177 HA ASP 23 HA ASP 23 0.302 3.383 2.357
178 HB2 ASP 23 HB2 ASP 23 -1.857 2.033 2.703
179 HB3 ASP 23 HB1 ASP 23 -1.424 1.195 1.215
180 H LEU 24 HN LEU 24 -0.933 2.774 -0.899
181 HA LEU 24 HA LEU 24 1.343 1.473 -1.914
182 HB2 LEU 24 HB2 LEU 24 -0.899 2.993 -3.151
183 HB3 LEU 24 HB1 LEU 24 0.527 2.697 -4.127
184 HG LEU 24 HG LEU 24 -1.266 1.036 -4.482
185 HD11 LEU 24 HD11 LEU 24 1.280 -0.045 -3.277
186 HD12 LEU 24 HD12 LEU 24 1.034 0.438 -4.955
187 HD13 LEU 24 HD13 LEU 24 0.166 -0.951 -4.301
188 HD21 LEU 24 HD21 LEU 24 -2.182 0.972 -2.231
189 HD22 LEU 24 HD22 LEU 24 -0.687 0.252 -1.633
190 HD23 LEU 24 HD23 LEU 24 -1.707 -0.641 -2.762
191 H ALA 25 HN ALA 25 0.535 4.903 -1.689
192 HA ALA 25 HA ALA 25 2.817 5.863 -3.044
193 HB1 ALA 25 HB1 ALA 25 1.177 7.197 -0.889
194 HB2 ALA 25 HB2 ALA 25 0.862 7.261 -2.624
195 HB3 ALA 25 HB3 ALA 25 2.319 8.006 -1.963
196 H LYS 26 HN LYS 26 2.188 5.086 0.336
197 HA LYS 26 HA LYS 26 4.716 5.905 1.320
198 HB2 LYS 26 HB2 LYS 26 2.754 3.880 2.412
199 HB3 LYS 26 HB1 LYS 26 4.148 4.493 3.283
200 HG2 LYS 26 HG2 LYS 26 3.224 6.734 3.248
201 HG3 LYS 26 HG1 LYS 26 1.851 6.169 2.296
202 HD2 LYS 26 HD2 LYS 26 1.171 6.354 4.593
203 HD3 LYS 26 HD1 LYS 26 1.248 4.645 4.163
204 HE2 LYS 26 HE2 LYS 26 2.208 5.002 6.359
205 HE3 LYS 26 HE1 LYS 26 3.458 4.491 5.228
206 HZ1 LYS 26 HZ1 LYS 26 4.115 6.348 6.710
207 HZ2 LYS 26 HZ2 LYS 26 2.955 7.322 5.963
208 HZ3 LYS 26 HZ3 LYS 26 4.251 6.715 5.069
209 HA 4PH 27 HA 4PH 27 5.659 1.244 0.708
210 HB2 4PH 27 HB1 4PH 27 3.488 0.971 -1.376
211 HB3 4PH 27 HB2 4PH 27 3.546 0.206 0.202
212 HD2 4PH 27 HD2 4PH 27 3.856 -0.415 -3.144
213 HD1 4PH 27 HD1 4PH 27 5.879 -1.204 0.518
214 HE2 4PH 27 HE2 4PH 27 4.916 -2.388 -4.156
215 HE1 4PH 27 HE1 4PH 27 6.934 -3.182 -0.489
216 H33 4PH 27 H33 4PH 27 5.952 -4.420 -3.717
217 H33A 4PH 27 H33A 4PH 27 7.541 -3.725 -3.392
218 H33B 4PH 27 H33B 4PH 27 6.758 -4.759 -2.191
219 H 4PH 27 HN 4PH 27 3.428 2.857 0.120
220 H GLN 28 HN GLN 28 4.732 2.933 -2.289
221 HA GLN 28 HA GLN 28 6.909 2.043 -3.821
222 HB2 GLN 28 HB2 GLN 28 5.204 4.526 -4.050
223 HB3 GLN 28 HB1 GLN 28 6.403 4.060 -5.253
224 HG2 GLN 28 HG2 GLN 28 5.195 2.078 -5.801
225 HG3 GLN 28 HG1 GLN 28 4.115 2.282 -4.424
226 HE21 GLN 28 HE21 GLN 28 3.525 2.045 -7.279
227 HE22 GLN 28 HE22 GLN 28 2.615 3.455 -7.691
228 H LYS 29 HN LYS 29 6.501 4.902 -1.808
229 HA LYS 29 HA LYS 29 9.005 6.082 -2.372
230 HB2 LYS 29 HB2 LYS 29 7.255 7.424 -1.445
231 HB3 LYS 29 HB1 LYS 29 7.082 6.356 -0.064
232 HG2 LYS 29 HG2 LYS 29 9.225 7.056 0.799
233 HG3 LYS 29 HG1 LYS 29 9.500 8.053 -0.631
234 HD2 LYS 29 HD2 LYS 29 7.684 9.501 -0.057
235 HD3 LYS 29 HD1 LYS 29 7.169 8.424 1.241
236 HE2 LYS 29 HE2 LYS 29 9.852 9.782 1.190
237 HE3 LYS 29 HE1 LYS 29 8.431 10.491 1.952
238 HZ1 LYS 29 HZ1 LYS 29 9.560 7.839 2.666
239 HZ2 LYS 29 HZ2 LYS 29 8.309 8.655 3.458
240 HZ3 LYS 29 HZ3 LYS 29 9.881 9.272 3.506
241 H ASP 30 HN ASP 30 7.917 3.853 0.155
242 HA ASP 30 HA ASP 30 10.418 3.965 1.563
243 HB2 ASP 30 HB2 ASP 30 8.156 3.481 2.615
244 HB3 ASP 30 HB1 ASP 30 8.269 1.872 1.910
245 H LEU 31 HN LEU 31 8.948 1.818 -0.794
246 HA LEU 31 HA LEU 31 10.802 -0.293 -0.661
247 HB2 LEU 31 HB2 LEU 31 8.517 -0.077 -1.906
248 HB3 LEU 31 HB1 LEU 31 9.478 0.584 -3.209
249 HG LEU 31 HG LEU 31 8.908 -1.834 -3.445
250 HD11 LEU 31 HD11 LEU 31 10.786 -0.916 -4.664
251 HD12 LEU 31 HD12 LEU 31 11.146 -2.555 -4.124
252 HD13 LEU 31 HD13 LEU 31 11.839 -1.173 -3.274
253 HD21 LEU 31 HD21 LEU 31 9.131 -2.347 -1.027
254 HD22 LEU 31 HD22 LEU 31 10.884 -2.234 -1.214
255 HD23 LEU 31 HD23 LEU 31 9.980 -3.471 -2.087
256 H ALA 32 HN ALA 32 10.713 2.670 -2.556
257 HA ALA 32 HA ALA 32 13.077 2.234 -4.023
258 HB1 ALA 32 HB1 ALA 32 11.343 3.862 -4.640
259 HB2 ALA 32 HB2 ALA 32 12.944 4.591 -4.560
260 HB3 ALA 32 HB3 ALA 32 11.794 4.846 -3.248
261 H ASP 33 HN ASP 33 12.429 3.572 -0.870
262 HA ASP 33 HA ASP 33 15.058 4.607 -0.416
263 HB2 ASP 33 HB2 ASP 33 13.125 5.519 0.773
264 HB3 ASP 33 HB1 ASP 33 12.820 3.955 1.515
265 HA 4PH 34 HA 4PH 34 15.300 0.385 1.834
266 HB2 4PH 34 HB1 4PH 34 13.540 -0.924 -0.249
267 HB3 4PH 34 HB2 4PH 34 13.047 -0.496 1.381
268 HD2 4PH 34 HD2 4PH 34 13.962 -3.148 -0.609
269 HD1 4PH 34 HD1 4PH 34 14.729 -1.511 3.242
270 HE2 4PH 34 HE2 4PH 34 14.620 -5.372 0.200
271 HE1 4PH 34 HE1 4PH 34 15.382 -3.733 4.062
272 H33 4PH 34 H33 4PH 34 15.827 -6.519 1.830
273 H33A 4PH 34 H33A 4PH 34 16.139 -5.843 3.431
274 H33B 4PH 34 H33B 4PH 34 14.531 -6.453 3.019
275 H 4PH 34 HN 4PH 34 13.525 1.537 -0.044
276 HN1 NH2 35 HN1 NH2 35 15.395 0.811 -1.604
277 HN2 NH2 35 HN2 NH2 35 16.912 0.030 -1.876
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 13.843 -2.452 5.613
2 H2 ACE 0 HA2 ACE 0 13.398 -1.275 6.846
3 H3 ACE 0 HA3 ACE 0 12.515 -1.289 5.321
4 HA PRO 1 HA PRO 1 12.286 -3.909 4.006
5 HB2 PRO 1 HB2 PRO 1 10.710 -6.327 4.715
6 HB3 PRO 1 HB1 PRO 1 12.110 -6.172 3.636
7 HG2 PRO 1 HG2 PRO 1 12.335 -7.329 6.013
8 HG3 PRO 1 HG1 PRO 1 13.631 -6.309 5.347
9 HD2 PRO 1 HD2 PRO 1 11.631 -5.662 7.472
10 HD3 PRO 1 HD1 PRO 1 13.340 -5.194 7.344
11 HA PRO 2 HA PRO 2 8.186 -1.977 3.992
12 HB2 PRO 2 HB2 PRO 2 8.725 -1.803 1.093
13 HB3 PRO 2 HB1 PRO 2 8.373 -0.503 2.246
14 HG2 PRO 2 HG2 PRO 2 10.803 -0.873 1.177
15 HG3 PRO 2 HG1 PRO 2 10.551 -0.210 2.802
16 HD2 PRO 2 HD2 PRO 2 11.469 -2.919 1.992
17 HD3 PRO 2 HD1 PRO 2 11.881 -1.962 3.429
18 H THR 3 HN THR 3 6.444 -3.267 4.019
19 HA THR 3 HA THR 3 6.376 -5.599 2.266
20 HB THR 3 HB THR 3 4.362 -6.192 3.734
21 HG1 THR 3 HG1 THR 3 4.476 -5.109 5.826
22 HG21 THR 3 HG21 THR 3 7.103 -5.973 4.983
23 HG22 THR 3 HG22 THR 3 6.520 -7.290 3.967
24 HG23 THR 3 HG23 THR 3 5.799 -7.014 5.552
25 H LYS 4 HN LYS 4 4.735 -5.999 0.839
26 HA LYS 4 HA LYS 4 3.287 -3.683 -0.087
27 HB2 LYS 4 HB2 LYS 4 2.692 -4.970 -1.997
28 HB3 LYS 4 HB1 LYS 4 4.343 -5.437 -1.613
29 HG2 LYS 4 HG2 LYS 4 3.538 -7.452 -0.526
30 HG3 LYS 4 HG1 LYS 4 1.872 -6.976 -0.861
31 HD2 LYS 4 HD2 LYS 4 2.411 -7.030 -3.291
32 HD3 LYS 4 HD1 LYS 4 4.010 -7.656 -2.882
33 HE2 LYS 4 HE2 LYS 4 2.959 -9.583 -1.783
34 HE3 LYS 4 HE1 LYS 4 1.372 -8.962 -2.224
35 HZ1 LYS 4 HZ1 LYS 4 1.993 -9.171 -4.551
36 HZ2 LYS 4 HZ2 LYS 4 2.086 -10.659 -3.759
37 HZ3 LYS 4 HZ3 LYS 4 3.498 -9.800 -4.112
38 HA PRO 5 HA PRO 5 -0.496 -4.865 2.020
39 HB2 PRO 5 HB2 PRO 5 -2.148 -3.079 0.879
40 HB3 PRO 5 HB1 PRO 5 -0.918 -2.569 2.050
41 HG2 PRO 5 HG2 PRO 5 -0.848 -2.422 -0.929
42 HG3 PRO 5 HG1 PRO 5 -0.361 -1.208 0.272
43 HD2 PRO 5 HD2 PRO 5 1.404 -2.849 -1.002
44 HD3 PRO 5 HD1 PRO 5 1.684 -2.183 0.624
45 H THR 6 HN THR 6 -2.437 -5.977 1.463
46 HA THR 6 HA THR 6 -2.227 -7.338 -1.077
47 HB THR 6 HB THR 6 -2.783 -8.562 1.039
48 HG1 THR 6 HG1 THR 6 -4.967 -9.197 -0.443
49 HG21 THR 6 HG21 THR 6 -5.451 -7.193 0.687
50 HG22 THR 6 HG22 THR 6 -4.337 -6.985 2.038
51 HG23 THR 6 HG23 THR 6 -5.134 -8.536 1.784
52 H LYS 7 HN LYS 7 -4.027 -7.587 -2.507
53 HA LYS 7 HA LYS 7 -5.080 -5.091 -3.295
54 HB2 LYS 7 HB2 LYS 7 -5.858 -7.865 -4.203
55 HB3 LYS 7 HB1 LYS 7 -6.262 -6.368 -5.029
56 HG2 LYS 7 HG2 LYS 7 -3.486 -7.434 -4.581
57 HG3 LYS 7 HG1 LYS 7 -4.393 -7.499 -6.092
58 HD2 LYS 7 HD2 LYS 7 -4.485 -5.022 -6.090
59 HD3 LYS 7 HD1 LYS 7 -3.468 -5.022 -4.644
60 HE2 LYS 7 HE2 LYS 7 -2.134 -4.632 -6.634
61 HE3 LYS 7 HE1 LYS 7 -1.705 -6.168 -5.884
62 HZ1 LYS 7 HZ1 LYS 7 -1.894 -6.327 -8.303
63 HZ2 LYS 7 HZ2 LYS 7 -3.518 -5.863 -8.212
64 HZ3 LYS 7 HZ3 LYS 7 -3.017 -7.321 -7.524
65 HA PRO 8 HA PRO 8 -8.644 -5.065 -0.603
66 HB2 PRO 8 HB2 PRO 8 -9.573 -2.894 -2.373
67 HB3 PRO 8 HB1 PRO 8 -9.241 -2.865 -0.629
68 HG2 PRO 8 HG2 PRO 8 -7.662 -1.637 -2.402
69 HG3 PRO 8 HG1 PRO 8 -7.026 -2.376 -0.919
70 HD2 PRO 8 HD2 PRO 8 -6.936 -3.391 -3.726
71 HD3 PRO 8 HD1 PRO 8 -5.718 -3.505 -2.434
72 H GLY 9 HN GLY 9 -9.873 -6.802 -1.025
73 HA2 GLY 9 HA2 GLY 9 -11.610 -6.736 -3.388
74 HA3 GLY 9 HA1 GLY 9 -11.378 -8.121 -2.327
75 H ASP 10 HN ASP 10 -11.881 -7.459 0.056
76 HA ASP 10 HA ASP 10 -14.672 -6.726 0.113
77 HB2 ASP 10 HB2 ASP 10 -13.968 -8.558 1.510
78 HB3 ASP 10 HB1 ASP 10 -12.731 -7.567 2.276
79 H ASN 11 HN ASN 11 -11.629 -5.416 1.351
80 HA ASN 11 HA ASN 11 -12.971 -3.171 2.573
81 HB2 ASN 11 HB2 ASN 11 -10.781 -2.487 3.363
82 HB3 ASN 11 HB1 ASN 11 -11.020 -4.198 3.675
83 HD21 ASN 11 HD21 ASN 11 -9.201 -1.831 1.930
84 HD22 ASN 11 HD22 ASN 11 -8.008 -2.916 1.307
85 H ALA 12 HN ALA 12 -12.638 -3.730 -0.471
86 HA ALA 12 HA ALA 12 -11.137 -1.559 -1.520
87 HB1 ALA 12 HB1 ALA 12 -11.588 -3.626 -2.767
88 HB2 ALA 12 HB2 ALA 12 -12.065 -2.179 -3.657
89 HB3 ALA 12 HB3 ALA 12 -13.290 -3.173 -2.865
90 H THR 13 HN THR 13 -13.748 -1.294 0.287
91 HA THR 13 HA THR 13 -15.622 0.280 -1.007
92 HB THR 13 HB THR 13 -15.958 1.342 1.261
93 HG1 THR 13 HG1 THR 13 -13.519 0.254 1.627
94 HG21 THR 13 HG21 THR 13 -16.817 -0.706 2.273
95 HG22 THR 13 HG22 THR 13 -15.864 -1.674 1.149
96 HG23 THR 13 HG23 THR 13 -17.174 -0.659 0.547
97 HA PRO 14 HA PRO 14 -13.703 3.902 -2.578
98 HB2 PRO 14 HB2 PRO 14 -15.955 5.289 -1.168
99 HB3 PRO 14 HB1 PRO 14 -15.391 5.477 -2.839
100 HG2 PRO 14 HG2 PRO 14 -17.572 4.074 -2.259
101 HG3 PRO 14 HG1 PRO 14 -16.471 3.606 -3.574
102 HD2 PRO 14 HD2 PRO 14 -16.912 2.308 -0.959
103 HD3 PRO 14 HD1 PRO 14 -16.264 1.631 -2.461
104 H GLU 15 HN GLU 15 -14.880 4.182 0.778
105 HA GLU 15 HA GLU 15 -13.256 6.422 1.409
106 HB2 GLU 15 HB2 GLU 15 -14.641 4.402 3.173
107 HB3 GLU 15 HB1 GLU 15 -13.818 5.827 3.787
108 HG2 GLU 15 HG2 GLU 15 -15.348 7.265 2.601
109 HG3 GLU 15 HG1 GLU 15 -16.120 5.865 1.859
110 H LYS 16 HN LYS 16 -12.881 2.953 2.010
111 HA LYS 16 HA LYS 16 -10.379 3.367 3.391
112 HB2 LYS 16 HB2 LYS 16 -12.075 1.644 4.061
113 HB3 LYS 16 HB1 LYS 16 -11.686 0.762 2.587
114 HG2 LYS 16 HG2 LYS 16 -9.533 0.233 3.344
115 HG3 LYS 16 HG1 LYS 16 -9.590 1.455 4.619
116 HD2 LYS 16 HD2 LYS 16 -11.341 0.192 5.756
117 HD3 LYS 16 HD1 LYS 16 -11.296 -1.027 4.486
118 HE2 LYS 16 HE2 LYS 16 -9.016 -1.596 5.068
119 HE3 LYS 16 HE1 LYS 16 -8.970 -0.299 6.262
120 HZ1 LYS 16 HZ1 LYS 16 -9.367 -2.446 7.295
121 HZ2 LYS 16 HZ2 LYS 16 -10.756 -2.669 6.361
122 HZ3 LYS 16 HZ3 LYS 16 -10.701 -1.431 7.507
123 H LEU 17 HN LEU 17 -11.418 2.859 0.205
124 HA LEU 17 HA LEU 17 -9.145 1.576 -0.879
125 HB2 LEU 17 HB2 LEU 17 -11.342 1.788 -2.017
126 HB3 LEU 17 HB1 LEU 17 -11.047 3.505 -2.210
127 HG LEU 17 HG LEU 17 -9.105 2.993 -3.642
128 HD11 LEU 17 HD11 LEU 17 -8.789 0.706 -4.445
129 HD12 LEU 17 HD12 LEU 17 -10.033 0.141 -3.331
130 HD13 LEU 17 HD13 LEU 17 -8.531 0.816 -2.706
131 HD21 LEU 17 HD21 LEU 17 -10.405 2.193 -5.558
132 HD22 LEU 17 HD22 LEU 17 -11.289 3.404 -4.627
133 HD23 LEU 17 HD23 LEU 17 -11.696 1.696 -4.463
134 H ALA 18 HN ALA 18 -9.976 4.917 -0.227
135 HA ALA 18 HA ALA 18 -7.706 6.099 -1.438
136 HB1 ALA 18 HB1 ALA 18 -8.279 8.069 -0.079
137 HB2 ALA 18 HB2 ALA 18 -9.457 7.096 0.803
138 HB3 ALA 18 HB3 ALA 18 -9.679 7.406 -0.918
139 H LYS 19 HN LYS 19 -8.435 4.913 1.780
140 HA LYS 19 HA LYS 19 -6.038 5.619 3.058
141 HB2 LYS 19 HB2 LYS 19 -8.079 4.858 4.224
142 HB3 LYS 19 HB1 LYS 19 -7.847 3.246 3.566
143 HG2 LYS 19 HG2 LYS 19 -5.780 3.010 4.803
144 HG3 LYS 19 HG1 LYS 19 -5.950 4.650 5.435
145 HD2 LYS 19 HD2 LYS 19 -8.085 3.982 6.482
146 HD3 LYS 19 HD1 LYS 19 -7.825 2.335 5.910
147 HE2 LYS 19 HE2 LYS 19 -5.784 2.190 7.230
148 HE3 LYS 19 HE1 LYS 19 -6.005 3.852 7.774
149 HZ1 LYS 19 HZ1 LYS 19 -8.061 3.195 8.849
150 HZ2 LYS 19 HZ2 LYS 19 -6.773 2.264 9.427
151 HZ3 LYS 19 HZ3 LYS 19 -7.864 1.602 8.318
152 HA 4PH 20 HA 4PH 20 -4.600 1.329 1.431
153 HB2 4PH 20 HB1 4PH 20 -6.621 1.431 -0.815
154 HB3 4PH 20 HB2 4PH 20 -6.614 0.311 0.537
155 HD2 4PH 20 HD2 4PH 20 -5.684 0.800 -2.816
156 HD1 4PH 20 HD1 4PH 20 -4.537 -1.239 0.731
157 HE2 4PH 20 HE2 4PH 20 -4.394 -0.800 -4.165
158 HE1 4PH 20 HE1 4PH 20 -3.253 -2.850 -0.608
159 H33 4PH 20 H33 4PH 20 -1.991 -2.466 -3.324
160 H33A 4PH 20 H33A 4PH 20 -3.001 -3.791 -2.731
161 H33B 4PH 20 H33B 4PH 20 -3.450 -2.914 -4.202
162 H 4PH 20 HN 4PH 20 -6.976 2.805 1.152
163 H GLN 21 HN GLN 21 -5.607 3.671 -1.066
164 HA GLN 21 HA GLN 21 -3.287 3.587 -2.616
165 HB2 GLN 21 HB2 GLN 21 -5.251 5.822 -2.135
166 HB3 GLN 21 HB1 GLN 21 -3.947 5.928 -3.309
167 HG2 GLN 21 HG2 GLN 21 -6.102 3.831 -3.319
168 HG3 GLN 21 HG1 GLN 21 -6.109 5.296 -4.304
169 HE21 GLN 21 HE21 GLN 21 -4.612 2.189 -3.802
170 HE22 GLN 21 HE22 GLN 21 -3.805 2.114 -5.324
171 H ALA 22 HN ALA 22 -3.991 5.354 0.326
172 HA ALA 22 HA ALA 22 -1.778 7.084 0.325
173 HB1 ALA 22 HB1 ALA 22 -3.245 5.908 2.681
174 HB2 ALA 22 HB2 ALA 22 -3.722 7.354 1.791
175 HB3 ALA 22 HB3 ALA 22 -2.212 7.339 2.703
176 H ASP 23 HN ASP 23 -2.221 3.815 1.597
177 HA ASP 23 HA ASP 23 0.356 3.597 2.765
178 HB2 ASP 23 HB2 ASP 23 -1.613 2.076 3.251
179 HB3 ASP 23 HB1 ASP 23 -1.299 1.301 1.702
180 H LEU 24 HN LEU 24 -0.932 2.845 -0.425
181 HA LEU 24 HA LEU 24 1.343 1.590 -1.473
182 HB2 LEU 24 HB2 LEU 24 -0.982 3.007 -2.680
183 HB3 LEU 24 HB1 LEU 24 0.399 2.654 -3.701
184 HG LEU 24 HG LEU 24 -1.399 0.965 -3.869
185 HD11 LEU 24 HD11 LEU 24 0.928 0.361 -4.351
186 HD12 LEU 24 HD12 LEU 24 0.022 -0.993 -3.675
187 HD13 LEU 24 HD13 LEU 24 1.155 -0.097 -2.662
188 HD21 LEU 24 HD21 LEU 24 -2.222 1.054 -1.593
189 HD22 LEU 24 HD22 LEU 24 -0.698 0.394 -1.000
190 HD23 LEU 24 HD23 LEU 24 -1.751 -0.592 -2.017
191 H ALA 25 HN ALA 25 0.506 4.980 -1.140
192 HA ALA 25 HA ALA 25 2.597 6.032 -2.715
193 HB1 ALA 25 HB1 ALA 25 1.233 7.253 -0.316
194 HB2 ALA 25 HB2 ALA 25 0.678 7.366 -1.985
195 HB3 ALA 25 HB3 ALA 25 2.200 8.121 -1.510
196 H LYS 26 HN LYS 26 2.392 5.186 0.713
197 HA LYS 26 HA LYS 26 5.043 6.018 1.334
198 HB2 LYS 26 HB2 LYS 26 3.141 4.158 2.768
199 HB3 LYS 26 HB1 LYS 26 4.694 4.665 3.416
200 HG2 LYS 26 HG2 LYS 26 3.967 6.973 3.450
201 HG3 LYS 26 HG1 LYS 26 2.439 6.523 2.691
202 HD2 LYS 26 HD2 LYS 26 2.139 6.830 5.082
203 HD3 LYS 26 HD1 LYS 26 1.887 5.141 4.642
204 HE2 LYS 26 HE2 LYS 26 3.179 5.274 6.681
205 HE3 LYS 26 HE1 LYS 26 4.180 4.631 5.383
206 HZ1 LYS 26 HZ1 LYS 26 5.149 6.842 5.106
207 HZ2 LYS 26 HZ2 LYS 26 5.391 6.253 6.669
208 HZ3 LYS 26 HZ3 LYS 26 4.210 7.425 6.386
209 HA 4PH 27 HA 4PH 27 5.805 1.302 0.919
210 HB2 4PH 27 HB1 4PH 27 3.359 0.979 -0.814
211 HB3 4PH 27 HB2 4PH 27 3.699 0.214 0.731
212 HD2 4PH 27 HD2 4PH 27 3.497 -0.354 -2.662
213 HD1 4PH 27 HD1 4PH 27 5.996 -1.228 0.671
214 HE2 4PH 27 HE2 4PH 27 4.394 -2.300 -3.853
215 HE1 4PH 27 HE1 4PH 27 6.897 -3.183 -0.518
216 H33 4PH 27 H33 4PH 27 5.483 -4.335 -3.619
217 H33A 4PH 27 H33A 4PH 27 7.102 -3.642 -3.491
218 H33B 4PH 27 H33B 4PH 27 6.490 -4.714 -2.226
219 H 4PH 27 HN 4PH 27 3.548 2.917 0.536
220 H GLN 28 HN GLN 28 4.599 2.850 -2.066
221 HA GLN 28 HA GLN 28 6.567 1.754 -3.752
222 HB2 GLN 28 HB2 GLN 28 4.897 4.257 -4.015
223 HB3 GLN 28 HB1 GLN 28 5.989 3.698 -5.277
224 HG2 GLN 28 HG2 GLN 28 4.720 1.625 -5.477
225 HG3 GLN 28 HG1 GLN 28 3.651 2.140 -4.174
226 HE21 GLN 28 HE21 GLN 28 2.182 3.812 -4.557
227 HE22 GLN 28 HE22 GLN 28 1.734 4.289 -6.153
228 H LYS 29 HN LYS 29 6.578 4.631 -1.743
229 HA LYS 29 HA LYS 29 8.974 5.663 -2.946
230 HB2 LYS 29 HB2 LYS 29 7.184 7.103 -1.947
231 HB3 LYS 29 HB1 LYS 29 7.676 6.525 -0.360
232 HG2 LYS 29 HG2 LYS 29 9.928 7.427 -0.762
233 HG3 LYS 29 HG1 LYS 29 9.374 8.066 -2.308
234 HD2 LYS 29 HD2 LYS 29 7.706 9.430 -1.120
235 HD3 LYS 29 HD1 LYS 29 8.321 8.816 0.417
236 HE2 LYS 29 HE2 LYS 29 9.841 10.444 -1.614
237 HE3 LYS 29 HE1 LYS 29 9.271 10.995 -0.041
238 HZ1 LYS 29 HZ1 LYS 29 10.745 9.397 1.011
239 HZ2 LYS 29 HZ2 LYS 29 11.621 10.436 0.008
240 HZ3 LYS 29 HZ3 LYS 29 11.284 8.860 -0.499
241 H ASP 30 HN ASP 30 8.153 3.984 0.082
242 HA ASP 30 HA ASP 30 10.835 4.179 1.082
243 HB2 ASP 30 HB2 ASP 30 8.756 3.923 2.525
244 HB3 ASP 30 HB1 ASP 30 8.740 2.227 2.050
245 H LEU 31 HN LEU 31 9.059 1.853 -0.824
246 HA LEU 31 HA LEU 31 10.852 -0.308 -0.669
247 HB2 LEU 31 HB2 LEU 31 8.487 -0.150 -1.731
248 HB3 LEU 31 HB1 LEU 31 9.323 0.426 -3.154
249 HG LEU 31 HG LEU 31 8.731 -1.979 -3.242
250 HD11 LEU 31 HD11 LEU 31 10.893 -2.799 -4.018
251 HD12 LEU 31 HD12 LEU 31 11.691 -1.425 -3.252
252 HD13 LEU 31 HD13 LEU 31 10.577 -1.162 -4.594
253 HD21 LEU 31 HD21 LEU 31 9.031 -2.437 -0.852
254 HD22 LEU 31 HD22 LEU 31 10.776 -2.281 -1.057
255 HD23 LEU 31 HD23 LEU 31 9.903 -3.575 -1.876
256 H ALA 32 HN ALA 32 10.727 2.522 -2.758
257 HA ALA 32 HA ALA 32 12.862 1.907 -4.453
258 HB1 ALA 32 HB1 ALA 32 11.898 4.608 -3.533
259 HB2 ALA 32 HB2 ALA 32 11.268 3.695 -4.904
260 HB3 ALA 32 HB3 ALA 32 12.923 4.302 -4.934
261 H ASP 33 HN ASP 33 12.751 3.283 -1.254
262 HA ASP 33 HA ASP 33 15.501 4.064 -1.160
263 HB2 ASP 33 HB2 ASP 33 13.772 5.118 0.259
264 HB3 ASP 33 HB1 ASP 33 13.550 3.593 1.108
265 HA 4PH 34 HA 4PH 34 15.815 -0.117 1.005
266 HB2 4PH 34 HB1 4PH 34 13.338 -1.265 -0.294
267 HB3 4PH 34 HB2 4PH 34 13.438 -0.671 1.354
268 HD2 4PH 34 HD2 4PH 34 13.482 -3.535 -0.616
269 HD1 4PH 34 HD1 4PH 34 15.376 -1.808 2.782
270 HE2 4PH 34 HE2 4PH 34 14.112 -5.776 0.168
271 HE1 4PH 34 HE1 4PH 34 16.008 -4.046 3.576
272 H33 4PH 34 H33 4PH 34 15.497 -6.318 3.442
273 H33A 4PH 34 H33A 4PH 34 14.719 -7.035 2.028
274 H33B 4PH 34 H33B 4PH 34 16.424 -6.571 1.966
275 H 4PH 34 HN 4PH 34 13.737 1.160 -0.509
276 HN1 NH2 35 HN1 NH2 35 17.657 -0.516 -0.032
277 HN2 NH2 35 HN2 NH2 35 17.802 -1.303 -1.564
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 13.636 -4.146 4.996
2 H2 ACE 0 HA2 ACE 0 13.784 -4.457 3.268
3 H3 ACE 0 HA3 ACE 0 15.002 -5.110 4.361
4 HA PRO 1 HA PRO 1 12.959 -5.795 1.592
5 HB2 PRO 1 HB2 PRO 1 11.556 -8.412 1.366
6 HB3 PRO 1 HB1 PRO 1 12.703 -7.651 0.247
7 HG2 PRO 1 HG2 PRO 1 13.420 -9.719 1.744
8 HG3 PRO 1 HG1 PRO 1 14.543 -8.386 1.396
9 HD2 PRO 1 HD2 PRO 1 13.050 -8.983 3.908
10 HD3 PRO 1 HD1 PRO 1 14.672 -8.293 3.688
11 HA PRO 2 HA PRO 2 8.908 -4.578 3.127
12 HB2 PRO 2 HB2 PRO 2 8.499 -2.573 1.316
13 HB3 PRO 2 HB1 PRO 2 9.532 -2.381 2.747
14 HG2 PRO 2 HG2 PRO 2 10.296 -2.866 -0.079
15 HG3 PRO 2 HG1 PRO 2 11.071 -1.848 1.149
16 HD2 PRO 2 HD2 PRO 2 11.983 -4.328 0.441
17 HD3 PRO 2 HD1 PRO 2 12.259 -3.596 2.033
18 H THR 3 HN THR 3 7.429 -6.090 2.635
19 HA THR 3 HA THR 3 6.893 -6.846 -0.100
20 HB THR 3 HB THR 3 5.077 -8.264 1.084
21 HG1 THR 3 HG1 THR 3 5.738 -8.627 3.343
22 HG21 THR 3 HG21 THR 3 7.160 -9.182 0.181
23 HG22 THR 3 HG22 THR 3 6.723 -9.964 1.698
24 HG23 THR 3 HG23 THR 3 8.001 -8.750 1.669
25 H LYS 4 HN LYS 4 5.048 -6.447 -1.234
26 HA LYS 4 HA LYS 4 3.731 -4.001 -0.692
27 HB2 LYS 4 HB2 LYS 4 2.502 -4.382 -2.726
28 HB3 LYS 4 HB1 LYS 4 4.149 -4.940 -2.987
29 HG2 LYS 4 HG2 LYS 4 3.353 -7.248 -2.472
30 HG3 LYS 4 HG1 LYS 4 1.709 -6.608 -2.478
31 HD2 LYS 4 HD2 LYS 4 1.993 -5.886 -4.790
32 HD3 LYS 4 HD1 LYS 4 3.654 -6.483 -4.782
33 HE2 LYS 4 HE2 LYS 4 1.144 -8.124 -4.467
34 HE3 LYS 4 HE1 LYS 4 2.218 -8.097 -5.865
35 HZ1 LYS 4 HZ1 LYS 4 3.994 -8.950 -4.407
36 HZ2 LYS 4 HZ2 LYS 4 2.695 -10.020 -4.551
37 HZ3 LYS 4 HZ3 LYS 4 2.876 -9.095 -3.145
38 HA PRO 5 HA PRO 5 0.311 -5.306 1.833
39 HB2 PRO 5 HB2 PRO 5 -1.504 -3.418 0.971
40 HB3 PRO 5 HB1 PRO 5 -0.258 -3.118 2.189
41 HG2 PRO 5 HG2 PRO 5 -0.272 -2.415 -0.698
42 HG3 PRO 5 HG1 PRO 5 0.346 -1.500 0.690
43 HD2 PRO 5 HD2 PRO 5 1.963 -2.849 -0.985
44 HD3 PRO 5 HD1 PRO 5 2.325 -2.672 0.748
45 H THR 6 HN THR 6 -1.860 -6.143 1.643
46 HA THR 6 HA THR 6 -2.174 -7.633 -0.807
47 HB THR 6 HB THR 6 -2.500 -8.699 1.411
48 HG1 THR 6 HG1 THR 6 -5.009 -9.095 0.470
49 HG21 THR 6 HG21 THR 6 -3.598 -6.835 2.560
50 HG22 THR 6 HG22 THR 6 -4.562 -8.307 2.657
51 HG23 THR 6 HG23 THR 6 -5.011 -7.031 1.526
52 H LYS 7 HN LYS 7 -3.816 -7.502 -2.261
53 HA LYS 7 HA LYS 7 -5.012 -4.949 -2.647
54 HB2 LYS 7 HB2 LYS 7 -5.565 -7.560 -4.061
55 HB3 LYS 7 HB1 LYS 7 -6.079 -5.978 -4.612
56 HG2 LYS 7 HG2 LYS 7 -3.220 -6.866 -4.310
57 HG3 LYS 7 HG1 LYS 7 -4.121 -6.821 -5.824
58 HD2 LYS 7 HD2 LYS 7 -3.463 -4.445 -4.077
59 HD3 LYS 7 HD1 LYS 7 -2.666 -4.873 -5.589
60 HE2 LYS 7 HE2 LYS 7 -5.584 -4.161 -5.292
61 HE3 LYS 7 HE1 LYS 7 -4.323 -3.073 -5.867
62 HZ1 LYS 7 HZ1 LYS 7 -5.469 -3.992 -7.731
63 HZ2 LYS 7 HZ2 LYS 7 -5.241 -5.572 -7.178
64 HZ3 LYS 7 HZ3 LYS 7 -3.915 -4.659 -7.694
65 HA PRO 8 HA PRO 8 -8.629 -5.617 -0.074
66 HB2 PRO 8 HB2 PRO 8 -9.536 -3.212 -1.572
67 HB3 PRO 8 HB1 PRO 8 -9.435 -3.477 0.181
68 HG2 PRO 8 HG2 PRO 8 -7.715 -1.892 -1.068
69 HG3 PRO 8 HG1 PRO 8 -7.196 -2.940 0.269
70 HD2 PRO 8 HD2 PRO 8 -6.801 -3.298 -2.674
71 HD3 PRO 8 HD1 PRO 8 -5.697 -3.663 -1.327
72 H GLY 9 HN GLY 9 -10.391 -6.809 -0.479
73 HA2 GLY 9 HA2 GLY 9 -11.208 -7.127 -3.280
74 HA3 GLY 9 HA1 GLY 9 -11.557 -8.253 -1.979
75 H ASP 10 HN ASP 10 -13.014 -7.390 -0.242
76 HA ASP 10 HA ASP 10 -15.176 -5.843 -1.478
77 HB2 ASP 10 HB2 ASP 10 -15.152 -7.667 0.928
78 HB3 ASP 10 HB1 ASP 10 -16.536 -6.682 0.465
79 H ASN 11 HN ASN 11 -12.702 -5.665 0.845
80 HA ASN 11 HA ASN 11 -13.828 -3.404 2.246
81 HB2 ASN 11 HB2 ASN 11 -11.631 -3.258 3.368
82 HB3 ASN 11 HB1 ASN 11 -12.319 -4.872 3.478
83 HD21 ASN 11 HD21 ASN 11 -9.529 -3.944 3.690
84 HD22 ASN 11 HD22 ASN 11 -8.648 -4.845 2.510
85 H ALA 12 HN ALA 12 -13.059 -3.652 -0.762
86 HA ALA 12 HA ALA 12 -11.170 -1.513 -1.142
87 HB1 ALA 12 HB1 ALA 12 -11.244 -3.477 -2.631
88 HB2 ALA 12 HB2 ALA 12 -11.442 -1.954 -3.501
89 HB3 ALA 12 HB3 ALA 12 -12.845 -2.974 -3.176
90 H THR 13 HN THR 13 -13.838 -1.019 0.163
91 HA THR 13 HA THR 13 -15.478 0.531 -1.492
92 HB THR 13 HB THR 13 -15.939 1.747 0.788
93 HG1 THR 13 HG1 THR 13 -14.586 1.075 2.282
94 HG21 THR 13 HG21 THR 13 -17.409 -0.097 1.463
95 HG22 THR 13 HG22 THR 13 -16.548 -1.180 0.367
96 HG23 THR 13 HG23 THR 13 -17.473 0.177 -0.278
97 HA PRO 14 HA PRO 14 -13.157 3.925 -2.957
98 HB2 PRO 14 HB2 PRO 14 -15.443 5.506 -1.827
99 HB3 PRO 14 HB1 PRO 14 -14.667 5.636 -3.416
100 HG2 PRO 14 HG2 PRO 14 -16.991 4.371 -3.092
101 HG3 PRO 14 HG1 PRO 14 -15.776 3.839 -4.277
102 HD2 PRO 14 HD2 PRO 14 -16.620 2.542 -1.776
103 HD3 PRO 14 HD1 PRO 14 -15.755 1.858 -3.161
104 H GLU 15 HN GLU 15 -14.644 4.502 0.239
105 HA GLU 15 HA GLU 15 -12.870 6.587 0.954
106 HB2 GLU 15 HB2 GLU 15 -14.554 4.778 2.682
107 HB3 GLU 15 HB1 GLU 15 -13.699 6.195 3.272
108 HG2 GLU 15 HG2 GLU 15 -15.026 7.590 1.733
109 HG3 GLU 15 HG1 GLU 15 -15.915 6.149 1.245
110 H LYS 16 HN LYS 16 -12.875 3.124 1.726
111 HA LYS 16 HA LYS 16 -10.488 3.356 3.309
112 HB2 LYS 16 HB2 LYS 16 -12.171 1.711 3.937
113 HB3 LYS 16 HB1 LYS 16 -12.016 0.919 2.369
114 HG2 LYS 16 HG2 LYS 16 -9.799 0.205 2.872
115 HG3 LYS 16 HG1 LYS 16 -9.767 1.171 4.346
116 HD2 LYS 16 HD2 LYS 16 -11.473 -0.227 5.339
117 HD3 LYS 16 HD1 LYS 16 -11.631 -1.144 3.838
118 HE2 LYS 16 HE2 LYS 16 -10.266 -2.332 5.496
119 HE3 LYS 16 HE1 LYS 16 -9.347 -1.935 4.048
120 HZ1 LYS 16 HZ1 LYS 16 -8.032 -1.474 5.978
121 HZ2 LYS 16 HZ2 LYS 16 -9.245 -0.508 6.649
122 HZ3 LYS 16 HZ3 LYS 16 -8.442 -0.004 5.250
123 H LEU 17 HN LEU 17 -11.320 2.574 0.039
124 HA LEU 17 HA LEU 17 -8.904 1.348 -0.744
125 HB2 LEU 17 HB2 LEU 17 -11.013 1.318 -2.056
126 HB3 LEU 17 HB1 LEU 17 -10.785 3.021 -2.406
127 HG LEU 17 HG LEU 17 -8.740 2.504 -3.652
128 HD11 LEU 17 HD11 LEU 17 -8.176 0.168 -4.141
129 HD12 LEU 17 HD12 LEU 17 -9.431 -0.362 -3.019
130 HD13 LEU 17 HD13 LEU 17 -8.033 0.530 -2.422
131 HD21 LEU 17 HD21 LEU 17 -9.812 1.383 -5.534
132 HD22 LEU 17 HD22 LEU 17 -10.895 2.567 -4.802
133 HD23 LEU 17 HD23 LEU 17 -11.116 0.847 -4.475
134 H ALA 18 HN ALA 18 -9.939 4.668 -0.438
135 HA ALA 18 HA ALA 18 -7.671 5.887 -1.610
136 HB1 ALA 18 HB1 ALA 18 -9.731 7.109 -1.321
137 HB2 ALA 18 HB2 ALA 18 -8.444 7.908 -0.415
138 HB3 ALA 18 HB3 ALA 18 -9.635 6.915 0.428
139 H LYS 19 HN LYS 19 -8.558 5.119 1.731
140 HA LYS 19 HA LYS 19 -6.217 5.914 3.015
141 HB2 LYS 19 HB2 LYS 19 -8.167 5.284 4.284
142 HB3 LYS 19 HB1 LYS 19 -8.140 3.659 3.617
143 HG2 LYS 19 HG2 LYS 19 -7.339 3.569 5.857
144 HG3 LYS 19 HG1 LYS 19 -5.984 3.274 4.771
145 HD2 LYS 19 HD2 LYS 19 -5.238 5.578 5.054
146 HD3 LYS 19 HD1 LYS 19 -6.621 5.908 6.100
147 HE2 LYS 19 HE2 LYS 19 -5.810 4.192 7.671
148 HE3 LYS 19 HE1 LYS 19 -4.407 3.931 6.639
149 HZ1 LYS 19 HZ1 LYS 19 -3.853 5.382 8.460
150 HZ2 LYS 19 HZ2 LYS 19 -5.097 6.451 8.049
151 HZ3 LYS 19 HZ3 LYS 19 -3.779 6.251 7.013
152 HA 4PH 20 HA 4PH 20 -4.683 1.511 1.889
153 HB2 4PH 20 HB1 4PH 20 -6.519 1.379 -0.511
154 HB3 4PH 20 HB2 4PH 20 -6.659 0.430 0.961
155 HD2 4PH 20 HD2 4PH 20 -5.488 0.444 -2.332
156 HD1 4PH 20 HD1 4PH 20 -4.571 -1.032 1.542
157 HE2 4PH 20 HE2 4PH 20 -4.097 -1.316 -3.340
158 HE1 4PH 20 HE1 4PH 20 -3.188 -2.794 0.551
159 H33 4PH 20 H33 4PH 20 -3.318 -4.015 -2.221
160 H33A 4PH 20 H33A 4PH 20 -2.300 -2.758 -2.929
161 H33B 4PH 20 H33B 4PH 20 -1.956 -3.385 -1.312
162 H 4PH 20 HN 4PH 20 -7.019 2.958 1.294
163 H GLN 21 HN GLN 21 -5.488 3.647 -0.846
164 HA GLN 21 HA GLN 21 -3.079 3.417 -2.237
165 HB2 GLN 21 HB2 GLN 21 -5.012 5.723 -2.041
166 HB3 GLN 21 HB1 GLN 21 -3.641 5.702 -3.142
167 HG2 GLN 21 HG2 GLN 21 -5.872 3.682 -3.121
168 HG3 GLN 21 HG1 GLN 21 -5.754 5.059 -4.219
169 HE21 GLN 21 HE21 GLN 21 -4.458 1.937 -3.387
170 HE22 GLN 21 HE22 GLN 21 -3.545 1.713 -4.832
171 H ALA 22 HN ALA 22 -3.906 5.333 0.570
172 HA ALA 22 HA ALA 22 -1.696 7.067 0.572
173 HB1 ALA 22 HB1 ALA 22 -3.263 6.015 2.920
174 HB2 ALA 22 HB2 ALA 22 -3.697 7.415 1.937
175 HB3 ALA 22 HB3 ALA 22 -2.227 7.444 2.913
176 H ASP 23 HN ASP 23 -2.131 3.798 1.801
177 HA ASP 23 HA ASP 23 0.446 3.684 3.062
178 HB2 ASP 23 HB2 ASP 23 -1.502 2.196 3.678
179 HB3 ASP 23 HB1 ASP 23 -1.229 1.331 2.169
180 H LEU 24 HN LEU 24 -0.876 2.788 -0.066
181 HA LEU 24 HA LEU 24 1.362 1.446 -1.083
182 HB2 LEU 24 HB2 LEU 24 -0.949 2.856 -2.327
183 HB3 LEU 24 HB1 LEU 24 0.413 2.426 -3.344
184 HG LEU 24 HG LEU 24 -1.471 0.777 -3.356
185 HD11 LEU 24 HD11 LEU 24 0.800 0.147 -4.018
186 HD12 LEU 24 HD12 LEU 24 -0.041 -1.186 -3.224
187 HD13 LEU 24 HD13 LEU 24 1.173 -0.259 -2.343
188 HD21 LEU 24 HD21 LEU 24 -1.683 -0.733 -1.449
189 HD22 LEU 24 HD22 LEU 24 -2.095 0.926 -1.011
190 HD23 LEU 24 HD23 LEU 24 -0.533 0.252 -0.543
191 H ALA 25 HN ALA 25 0.576 4.864 -0.923
192 HA ALA 25 HA ALA 25 2.700 5.832 -2.489
193 HB1 ALA 25 HB1 ALA 25 0.834 7.230 -1.760
194 HB2 ALA 25 HB2 ALA 25 2.381 7.941 -1.296
195 HB3 ALA 25 HB3 ALA 25 1.393 7.112 -0.091
196 H LYS 26 HN LYS 26 2.505 4.916 0.906
197 HA LYS 26 HA LYS 26 5.153 5.736 1.557
198 HB2 LYS 26 HB2 LYS 26 3.239 3.856 2.943
199 HB3 LYS 26 HB1 LYS 26 4.792 4.340 3.607
200 HG2 LYS 26 HG2 LYS 26 2.508 6.189 2.954
201 HG3 LYS 26 HG1 LYS 26 2.958 5.627 4.566
202 HD2 LYS 26 HD2 LYS 26 5.167 6.691 4.285
203 HD3 LYS 26 HD1 LYS 26 4.652 7.303 2.713
204 HE2 LYS 26 HE2 LYS 26 2.854 8.557 3.793
205 HE3 LYS 26 HE1 LYS 26 3.366 7.940 5.363
206 HZ1 LYS 26 HZ1 LYS 26 4.220 10.159 4.969
207 HZ2 LYS 26 HZ2 LYS 26 4.996 9.643 3.560
208 HZ3 LYS 26 HZ3 LYS 26 5.492 9.047 5.062
209 HA 4PH 27 HA 4PH 27 5.931 1.045 0.942
210 HB2 4PH 27 HB1 4PH 27 3.442 0.807 -0.738
211 HB3 4PH 27 HB2 4PH 27 3.883 -0.109 0.693
212 HD2 4PH 27 HD2 4PH 27 3.504 -0.322 -2.715
213 HD1 4PH 27 HD1 4PH 27 6.234 -1.440 0.350
214 HE2 4PH 27 HE2 4PH 27 4.411 -2.074 -4.171
215 HE1 4PH 27 HE1 4PH 27 7.143 -3.204 -1.106
216 H33 4PH 27 H33 4PH 27 7.195 -3.285 -4.125
217 H33A 4PH 27 H33A 4PH 27 6.732 -4.541 -2.976
218 H33B 4PH 27 H33B 4PH 27 5.613 -4.046 -4.254
219 H 4PH 27 HN 4PH 27 3.651 2.654 0.685
220 H GLN 28 HN GLN 28 4.664 2.774 -1.903
221 HA GLN 28 HA GLN 28 6.701 1.870 -3.639
222 HB2 GLN 28 HB2 GLN 28 4.875 4.271 -3.827
223 HB3 GLN 28 HB1 GLN 28 5.944 3.741 -5.123
224 HG2 GLN 28 HG2 GLN 28 4.767 1.609 -5.249
225 HG3 GLN 28 HG1 GLN 28 3.729 2.086 -3.908
226 HE21 GLN 28 HE21 GLN 28 2.164 3.681 -4.247
227 HE22 GLN 28 HE22 GLN 28 1.621 4.099 -5.829
228 H LYS 29 HN LYS 29 6.468 4.624 -1.485
229 HA LYS 29 HA LYS 29 8.732 6.027 -2.469
230 HB2 LYS 29 HB2 LYS 29 6.977 7.055 -1.032
231 HB3 LYS 29 HB1 LYS 29 7.542 6.082 0.315
232 HG2 LYS 29 HG2 LYS 29 8.438 8.270 0.565
233 HG3 LYS 29 HG1 LYS 29 9.759 7.195 0.112
234 HD2 LYS 29 HD2 LYS 29 9.980 9.230 -1.137
235 HD3 LYS 29 HD1 LYS 29 9.482 7.953 -2.246
236 HE2 LYS 29 HE2 LYS 29 8.242 9.980 -2.712
237 HE3 LYS 29 HE1 LYS 29 7.155 8.746 -2.082
238 HZ1 LYS 29 HZ1 LYS 29 7.287 9.813 0.094
239 HZ2 LYS 29 HZ2 LYS 29 6.706 10.883 -1.075
240 HZ3 LYS 29 HZ3 LYS 29 8.302 11.009 -0.538
241 H ASP 30 HN ASP 30 8.276 3.771 0.235
242 HA ASP 30 HA ASP 30 11.014 3.794 1.016
243 HB2 ASP 30 HB2 ASP 30 9.268 3.164 2.607
244 HB3 ASP 30 HB1 ASP 30 8.836 1.775 1.617
245 H LEU 31 HN LEU 31 9.090 1.755 -1.113
246 HA LEU 31 HA LEU 31 11.010 -0.226 -1.641
247 HB2 LEU 31 HB2 LEU 31 8.484 -0.022 -2.313
248 HB3 LEU 31 HB1 LEU 31 9.109 0.792 -3.729
249 HG LEU 31 HG LEU 31 8.581 -1.602 -4.095
250 HD11 LEU 31 HD11 LEU 31 10.643 -2.183 -5.257
251 HD12 LEU 31 HD12 LEU 31 11.488 -0.890 -4.405
252 HD13 LEU 31 HD13 LEU 31 10.190 -0.502 -5.536
253 HD21 LEU 31 HD21 LEU 31 9.962 -3.321 -3.145
254 HD22 LEU 31 HD22 LEU 31 9.231 -2.373 -1.848
255 HD23 LEU 31 HD23 LEU 31 10.923 -2.122 -2.282
256 H ALA 32 HN ALA 32 10.401 2.932 -3.078
257 HA ALA 32 HA ALA 32 12.272 2.820 -5.159
258 HB1 ALA 32 HB1 ALA 32 10.533 4.528 -5.015
259 HB2 ALA 32 HB2 ALA 32 12.133 5.255 -5.178
260 HB3 ALA 32 HB3 ALA 32 11.333 5.224 -3.605
261 H ASP 33 HN ASP 33 12.570 3.820 -1.792
262 HA ASP 33 HA ASP 33 15.295 4.622 -2.005
263 HB2 ASP 33 HB2 ASP 33 13.897 5.516 -0.228
264 HB3 ASP 33 HB1 ASP 33 13.645 3.901 0.424
265 HA 4PH 34 HA 4PH 34 15.929 0.279 -0.048
266 HB2 4PH 34 HB1 4PH 34 13.405 -0.820 -1.296
267 HB3 4PH 34 HB2 4PH 34 13.613 -0.419 0.403
268 HD2 4PH 34 HD2 4PH 34 13.930 -2.953 -2.080
269 HD1 4PH 34 HD1 4PH 34 15.391 -1.679 1.707
270 HE2 4PH 34 HE2 4PH 34 14.730 -5.231 -1.627
271 HE1 4PH 34 HE1 4PH 34 16.192 -3.957 2.169
272 H33 4PH 34 H33 4PH 34 15.343 -6.729 0.042
273 H33A 4PH 34 H33A 4PH 34 16.988 -6.110 0.206
274 H33B 4PH 34 H33B 4PH 34 15.926 -6.201 1.617
275 H 4PH 34 HN 4PH 34 13.680 1.663 -0.980
276 HN1 NH2 35 HN1 NH2 35 14.350 0.167 -3.211
277 HN2 NH2 35 HN2 NH2 35 15.711 -0.469 -4.068
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 14.104 -3.162 5.422
2 H2 ACE 0 HA2 ACE 0 14.160 -1.896 6.644
3 H3 ACE 0 HA3 ACE 0 12.997 -1.758 5.328
4 HA PRO 1 HA PRO 1 12.134 -4.528 4.311
5 HB2 PRO 1 HB2 PRO 1 10.360 -6.584 4.948
6 HB3 PRO 1 HB1 PRO 1 12.088 -6.796 4.602
7 HG2 PRO 1 HG2 PRO 1 10.693 -6.640 7.222
8 HG3 PRO 1 HG1 PRO 1 12.056 -7.663 6.718
9 HD2 PRO 1 HD2 PRO 1 12.454 -5.498 8.240
10 HD3 PRO 1 HD1 PRO 1 13.610 -5.951 6.965
11 HA PRO 2 HA PRO 2 8.364 -2.114 4.543
12 HB2 PRO 2 HB2 PRO 2 8.150 -2.368 1.652
13 HB3 PRO 2 HB1 PRO 2 8.559 -0.931 2.605
14 HG2 PRO 2 HG2 PRO 2 10.309 -2.223 0.983
15 HG3 PRO 2 HG1 PRO 2 10.779 -1.251 2.390
16 HD2 PRO 2 HD2 PRO 2 10.633 -4.213 2.108
17 HD3 PRO 2 HD1 PRO 2 11.771 -3.214 3.035
18 H THR 3 HN THR 3 6.518 -3.078 5.169
19 HA THR 3 HA THR 3 5.683 -5.607 4.178
20 HB THR 3 HB THR 3 3.535 -5.025 5.458
21 HG1 THR 3 HG1 THR 3 4.849 -3.128 6.935
22 HG21 THR 3 HG21 THR 3 4.594 -5.431 7.625
23 HG22 THR 3 HG22 THR 3 6.167 -5.025 6.938
24 HG23 THR 3 HG23 THR 3 5.299 -6.452 6.372
25 H LYS 4 HN LYS 4 4.706 -5.971 2.302
26 HA LYS 4 HA LYS 4 3.607 -3.846 0.747
27 HB2 LYS 4 HB2 LYS 4 3.167 -5.475 -0.945
28 HB3 LYS 4 HB1 LYS 4 4.706 -5.912 -0.216
29 HG2 LYS 4 HG2 LYS 4 3.593 -7.621 1.115
30 HG3 LYS 4 HG1 LYS 4 2.049 -7.181 0.382
31 HD2 LYS 4 HD2 LYS 4 2.965 -7.767 -1.830
32 HD3 LYS 4 HD1 LYS 4 4.471 -8.266 -1.054
33 HE2 LYS 4 HE2 LYS 4 3.120 -10.208 -1.488
34 HE3 LYS 4 HE1 LYS 4 3.202 -9.935 0.250
35 HZ1 LYS 4 HZ1 LYS 4 1.011 -8.919 0.157
36 HZ2 LYS 4 HZ2 LYS 4 0.962 -10.491 -0.457
37 HZ3 LYS 4 HZ3 LYS 4 0.937 -9.173 -1.512
38 HA PRO 5 HA PRO 5 -0.469 -3.891 2.455
39 HB2 PRO 5 HB2 PRO 5 -1.764 -2.577 0.479
40 HB3 PRO 5 HB1 PRO 5 -0.632 -1.762 1.568
41 HG2 PRO 5 HG2 PRO 5 -0.181 -2.757 -1.205
42 HG3 PRO 5 HG1 PRO 5 0.300 -1.219 -0.464
43 HD2 PRO 5 HD2 PRO 5 2.014 -3.279 -0.758
44 HD3 PRO 5 HD1 PRO 5 2.111 -2.139 0.605
45 H THR 6 HN THR 6 -2.489 -4.893 2.210
46 HA THR 6 HA THR 6 -2.475 -7.109 0.338
47 HB THR 6 HB THR 6 -3.070 -7.557 2.679
48 HG1 THR 6 HG1 THR 6 -4.554 -9.000 2.104
49 HG21 THR 6 HG21 THR 6 -4.172 -5.457 3.241
50 HG22 THR 6 HG22 THR 6 -5.229 -6.826 3.580
51 HG23 THR 6 HG23 THR 6 -5.495 -5.843 2.140
52 H LYS 7 HN LYS 7 -3.876 -7.406 -1.300
53 HA LYS 7 HA LYS 7 -4.719 -5.178 -2.725
54 HB2 LYS 7 HB2 LYS 7 -5.766 -7.991 -3.026
55 HB3 LYS 7 HB1 LYS 7 -5.761 -6.738 -4.255
56 HG2 LYS 7 HG2 LYS 7 -3.275 -7.913 -3.037
57 HG3 LYS 7 HG1 LYS 7 -4.011 -8.482 -4.533
58 HD2 LYS 7 HD2 LYS 7 -2.954 -5.696 -4.032
59 HD3 LYS 7 HD1 LYS 7 -2.143 -6.956 -4.962
60 HE2 LYS 7 HE2 LYS 7 -4.777 -5.638 -5.626
61 HE3 LYS 7 HE1 LYS 7 -3.242 -5.394 -6.454
62 HZ1 LYS 7 HZ1 LYS 7 -4.808 -7.914 -6.357
63 HZ2 LYS 7 HZ2 LYS 7 -3.283 -7.760 -7.072
64 HZ3 LYS 7 HZ3 LYS 7 -4.603 -6.905 -7.698
65 HA PRO 8 HA PRO 8 -8.749 -4.408 -0.966
66 HB2 PRO 8 HB2 PRO 8 -9.370 -2.736 -3.250
67 HB3 PRO 8 HB1 PRO 8 -8.995 -2.246 -1.586
68 HG2 PRO 8 HG2 PRO 8 -7.370 -1.746 -3.703
69 HG3 PRO 8 HG1 PRO 8 -6.793 -1.927 -2.033
70 HD2 PRO 8 HD2 PRO 8 -6.750 -3.915 -4.271
71 HD3 PRO 8 HD1 PRO 8 -5.516 -3.563 -3.039
72 H GLY 9 HN GLY 9 -9.691 -6.425 -1.257
73 HA2 GLY 9 HA2 GLY 9 -11.218 -6.803 -3.747
74 HA3 GLY 9 HA1 GLY 9 -10.970 -8.026 -2.504
75 H ASP 10 HN ASP 10 -11.951 -7.551 -0.368
76 HA ASP 10 HA ASP 10 -14.601 -6.375 -0.626
77 HB2 ASP 10 HB2 ASP 10 -14.394 -8.448 0.651
78 HB3 ASP 10 HB1 ASP 10 -13.220 -7.699 1.726
79 H ASN 11 HN ASN 11 -11.523 -5.789 0.862
80 HA ASN 11 HA ASN 11 -12.260 -3.464 2.333
81 HB2 ASN 11 HB2 ASN 11 -9.753 -3.131 2.487
82 HB3 ASN 11 HB1 ASN 11 -10.359 -4.652 3.122
83 HD21 ASN 11 HD21 ASN 11 -7.676 -3.900 2.141
84 HD22 ASN 11 HD22 ASN 11 -7.302 -5.057 0.916
85 H ALA 12 HN ALA 12 -12.519 -3.771 -0.776
86 HA ALA 12 HA ALA 12 -11.055 -1.470 -1.718
87 HB1 ALA 12 HB1 ALA 12 -13.112 -3.118 -3.168
88 HB2 ALA 12 HB2 ALA 12 -11.388 -3.475 -3.126
89 HB3 ALA 12 HB3 ALA 12 -11.961 -1.985 -3.879
90 H THR 13 HN THR 13 -13.277 -1.274 0.341
91 HA THR 13 HA THR 13 -15.447 0.096 -0.836
92 HB THR 13 HB THR 13 -15.755 1.078 1.473
93 HG1 THR 13 HG1 THR 13 -14.407 0.348 3.103
94 HG21 THR 13 HG21 THR 13 -16.391 -1.067 2.489
95 HG22 THR 13 HG22 THR 13 -15.469 -1.918 1.249
96 HG23 THR 13 HG23 THR 13 -16.882 -0.966 0.799
97 HA PRO 14 HA PRO 14 -13.715 3.786 -2.434
98 HB2 PRO 14 HB2 PRO 14 -15.995 5.098 -1.004
99 HB3 PRO 14 HB1 PRO 14 -15.463 5.286 -2.685
100 HG2 PRO 14 HG2 PRO 14 -17.586 3.811 -2.058
101 HG3 PRO 14 HG1 PRO 14 -16.488 3.368 -3.385
102 HD2 PRO 14 HD2 PRO 14 -16.834 2.092 -0.739
103 HD3 PRO 14 HD1 PRO 14 -16.206 1.411 -2.250
104 H GLU 15 HN GLU 15 -14.718 3.840 0.961
105 HA GLU 15 HA GLU 15 -13.191 6.167 1.611
106 HB2 GLU 15 HB2 GLU 15 -14.438 4.047 3.358
107 HB3 GLU 15 HB1 GLU 15 -13.719 5.535 3.958
108 HG2 GLU 15 HG2 GLU 15 -15.376 6.856 2.921
109 HG3 GLU 15 HG1 GLU 15 -15.970 5.489 1.984
110 H LYS 16 HN LYS 16 -12.715 2.685 2.105
111 HA LYS 16 HA LYS 16 -10.203 3.117 3.445
112 HB2 LYS 16 HB2 LYS 16 -11.808 1.258 4.013
113 HB3 LYS 16 HB1 LYS 16 -11.372 0.500 2.483
114 HG2 LYS 16 HG2 LYS 16 -9.035 0.375 3.242
115 HG3 LYS 16 HG1 LYS 16 -9.517 1.077 4.787
116 HD2 LYS 16 HD2 LYS 16 -11.052 -0.822 5.137
117 HD3 LYS 16 HD1 LYS 16 -10.486 -1.533 3.626
118 HE2 LYS 16 HE2 LYS 16 -8.821 -0.968 6.076
119 HE3 LYS 16 HE1 LYS 16 -9.362 -2.552 5.527
120 HZ1 LYS 16 HZ1 LYS 16 -8.068 -2.156 3.466
121 HZ2 LYS 16 HZ2 LYS 16 -7.116 -2.246 4.855
122 HZ3 LYS 16 HZ3 LYS 16 -7.450 -0.744 4.157
123 H LEU 17 HN LEU 17 -11.326 2.502 0.248
124 HA LEU 17 HA LEU 17 -8.978 1.483 -0.922
125 HB2 LEU 17 HB2 LEU 17 -11.209 1.473 -1.989
126 HB3 LEU 17 HB1 LEU 17 -11.117 3.215 -2.158
127 HG LEU 17 HG LEU 17 -9.209 2.960 -3.691
128 HD11 LEU 17 HD11 LEU 17 -8.612 0.753 -4.536
129 HD12 LEU 17 HD12 LEU 17 -9.738 0.006 -3.403
130 HD13 LEU 17 HD13 LEU 17 -8.319 0.859 -2.801
131 HD21 LEU 17 HD21 LEU 17 -11.629 1.320 -4.417
132 HD22 LEU 17 HD22 LEU 17 -10.477 2.022 -5.556
133 HD23 LEU 17 HD23 LEU 17 -11.485 3.073 -4.560
134 H ALA 18 HN ALA 18 -10.078 4.734 -0.223
135 HA ALA 18 HA ALA 18 -7.951 6.093 -1.521
136 HB1 ALA 18 HB1 ALA 18 -10.062 7.190 -0.994
137 HB2 ALA 18 HB2 ALA 18 -8.705 8.043 -0.258
138 HB3 ALA 18 HB3 ALA 18 -9.735 7.005 0.729
139 H LYS 19 HN LYS 19 -8.533 5.026 1.795
140 HA LYS 19 HA LYS 19 -6.158 5.925 2.970
141 HB2 LYS 19 HB2 LYS 19 -7.979 5.061 4.323
142 HB3 LYS 19 HB1 LYS 19 -7.838 3.479 3.571
143 HG2 LYS 19 HG2 LYS 19 -5.583 3.250 4.544
144 HG3 LYS 19 HG1 LYS 19 -5.815 4.790 5.374
145 HD2 LYS 19 HD2 LYS 19 -7.600 2.380 5.709
146 HD3 LYS 19 HD1 LYS 19 -6.279 2.800 6.797
147 HE2 LYS 19 HE2 LYS 19 -8.661 4.552 6.203
148 HE3 LYS 19 HE1 LYS 19 -8.482 3.537 7.632
149 HZ1 LYS 19 HZ1 LYS 19 -7.870 5.807 8.111
150 HZ2 LYS 19 HZ2 LYS 19 -6.720 5.800 6.875
151 HZ3 LYS 19 HZ3 LYS 19 -6.509 4.812 8.228
152 HA 4PH 20 HA 4PH 20 -4.519 1.622 1.465
153 HB2 4PH 20 HB1 4PH 20 -6.510 1.639 -0.815
154 HB3 4PH 20 HB2 4PH 20 -6.576 0.599 0.596
155 HD2 4PH 20 HD2 4PH 20 -5.368 0.971 -2.724
156 HD1 4PH 20 HD1 4PH 20 -4.701 -1.068 0.940
157 HE2 4PH 20 HE2 4PH 20 -4.067 -0.739 -3.920
158 HE1 4PH 20 HE1 4PH 20 -3.418 -2.791 -0.248
159 H33 4PH 20 H33 4PH 20 -3.003 -3.776 -2.306
160 H33A 4PH 20 H33A 4PH 20 -3.271 -2.928 -3.832
161 H33B 4PH 20 H33B 4PH 20 -1.874 -2.528 -2.826
162 H 4PH 20 HN 4PH 20 -6.945 2.969 1.238
163 H GLN 21 HN GLN 21 -5.618 3.906 -1.048
164 HA GLN 21 HA GLN 21 -3.333 3.865 -2.643
165 HB2 GLN 21 HB2 GLN 21 -5.320 6.072 -2.122
166 HB3 GLN 21 HB1 GLN 21 -4.053 6.188 -3.335
167 HG2 GLN 21 HG2 GLN 21 -6.169 4.052 -3.276
168 HG3 GLN 21 HG1 GLN 21 -6.249 5.524 -4.247
169 HE21 GLN 21 HE21 GLN 21 -4.677 2.446 -3.829
170 HE22 GLN 21 HE22 GLN 21 -3.909 2.406 -5.372
171 H ALA 22 HN ALA 22 -4.011 5.726 0.270
172 HA ALA 22 HA ALA 22 -1.762 7.432 0.109
173 HB1 ALA 22 HB1 ALA 22 -2.224 7.926 2.457
174 HB2 ALA 22 HB2 ALA 22 -3.342 6.562 2.521
175 HB3 ALA 22 HB3 ALA 22 -3.700 7.947 1.492
176 H ASP 23 HN ASP 23 -2.318 4.289 1.582
177 HA ASP 23 HA ASP 23 0.237 4.120 2.846
178 HB2 ASP 23 HB2 ASP 23 -1.595 2.753 3.672
179 HB3 ASP 23 HB1 ASP 23 -1.755 1.958 2.110
180 H LEU 24 HN LEU 24 -1.038 3.207 -0.299
181 HA LEU 24 HA LEU 24 1.186 1.734 -1.193
182 HB2 LEU 24 HB2 LEU 24 -1.066 3.137 -2.535
183 HB3 LEU 24 HB1 LEU 24 0.323 2.695 -3.512
184 HG LEU 24 HG LEU 24 -1.604 1.060 -3.507
185 HD11 LEU 24 HD11 LEU 24 0.604 0.423 -4.278
186 HD12 LEU 24 HD12 LEU 24 -0.137 -0.907 -3.384
187 HD13 LEU 24 HD13 LEU 24 1.109 0.084 -2.623
188 HD21 LEU 24 HD21 LEU 24 -0.591 0.547 -0.719
189 HD22 LEU 24 HD22 LEU 24 -1.712 -0.489 -1.605
190 HD23 LEU 24 HD23 LEU 24 -2.185 1.152 -1.168
191 H ALA 25 HN ALA 25 0.532 5.173 -1.099
192 HA ALA 25 HA ALA 25 2.675 6.027 -2.713
193 HB1 ALA 25 HB1 ALA 25 1.429 7.433 -0.350
194 HB2 ALA 25 HB2 ALA 25 0.844 7.502 -2.011
195 HB3 ALA 25 HB3 ALA 25 2.419 8.183 -1.603
196 H LYS 26 HN LYS 26 2.437 5.341 0.745
197 HA LYS 26 HA LYS 26 5.132 6.010 1.334
198 HB2 LYS 26 HB2 LYS 26 3.112 4.325 2.812
199 HB3 LYS 26 HB1 LYS 26 4.702 4.720 3.449
200 HG2 LYS 26 HG2 LYS 26 4.149 7.097 3.359
201 HG3 LYS 26 HG1 LYS 26 2.556 6.698 2.714
202 HD2 LYS 26 HD2 LYS 26 2.013 5.489 4.752
203 HD3 LYS 26 HD1 LYS 26 3.625 5.814 5.393
204 HE2 LYS 26 HE2 LYS 26 3.187 8.181 5.415
205 HE3 LYS 26 HE1 LYS 26 1.630 7.934 4.632
206 HZ1 LYS 26 HZ1 LYS 26 2.376 6.956 7.331
207 HZ2 LYS 26 HZ2 LYS 26 0.876 6.731 6.584
208 HZ3 LYS 26 HZ3 LYS 26 1.386 8.287 7.002
209 HA 4PH 27 HA 4PH 27 5.596 1.248 1.023
210 HB2 4PH 27 HB1 4PH 27 3.172 1.044 -0.761
211 HB3 4PH 27 HB2 4PH 27 3.401 0.327 0.826
212 HD2 4PH 27 HD2 4PH 27 3.332 -0.340 -2.569
213 HD1 4PH 27 HD1 4PH 27 5.544 -1.306 0.936
214 HE2 4PH 27 HE2 4PH 27 4.116 -2.402 -3.638
215 HE1 4PH 27 HE1 4PH 27 6.330 -3.379 -0.131
216 H33 4PH 27 H33 4PH 27 4.980 -4.528 -3.256
217 H33A 4PH 27 H33A 4PH 27 6.648 -3.978 -3.076
218 H33B 4PH 27 H33B 4PH 27 5.881 -4.932 -1.799
219 H 4PH 27 HN 4PH 27 3.447 2.996 0.607
220 H GLN 28 HN GLN 28 4.502 2.837 -1.977
221 HA GLN 28 HA GLN 28 6.422 1.681 -3.661
222 HB2 GLN 28 HB2 GLN 28 4.952 4.315 -3.853
223 HB3 GLN 28 HB1 GLN 28 5.991 3.697 -5.132
224 HG2 GLN 28 HG2 GLN 28 4.558 1.795 -5.454
225 HG3 GLN 28 HG1 GLN 28 3.591 2.229 -4.047
226 HE21 GLN 28 HE21 GLN 28 2.209 4.002 -4.171
227 HE22 GLN 28 HE22 GLN 28 1.693 4.657 -5.683
228 H LYS 29 HN LYS 29 6.470 4.691 -1.829
229 HA LYS 29 HA LYS 29 8.969 5.623 -2.746
230 HB2 LYS 29 HB2 LYS 29 7.309 7.081 -1.727
231 HB3 LYS 29 HB1 LYS 29 7.428 6.198 -0.217
232 HG2 LYS 29 HG2 LYS 29 9.660 6.999 0.142
233 HG3 LYS 29 HG1 LYS 29 9.680 7.764 -1.449
234 HD2 LYS 29 HD2 LYS 29 9.239 9.381 0.360
235 HD3 LYS 29 HD1 LYS 29 7.897 9.271 -0.779
236 HE2 LYS 29 HE2 LYS 29 6.788 7.685 0.803
237 HE3 LYS 29 HE1 LYS 29 8.078 8.016 1.957
238 HZ1 LYS 29 HZ1 LYS 29 6.181 10.009 0.841
239 HZ2 LYS 29 HZ2 LYS 29 7.429 10.350 1.926
240 HZ3 LYS 29 HZ3 LYS 29 6.144 9.369 2.405
241 H ASP 30 HN ASP 30 8.026 3.758 0.117
242 HA ASP 30 HA ASP 30 10.674 3.696 1.199
243 HB2 ASP 30 HB2 ASP 30 8.570 3.467 2.563
244 HB3 ASP 30 HB1 ASP 30 8.364 1.859 1.877
245 H LEU 31 HN LEU 31 8.809 1.635 -0.917
246 HA LEU 31 HA LEU 31 10.507 -0.624 -0.873
247 HB2 LEU 31 HB2 LEU 31 8.090 -0.303 -1.818
248 HB3 LEU 31 HB1 LEU 31 8.911 0.209 -3.275
249 HG LEU 31 HG LEU 31 8.161 -2.157 -3.309
250 HD11 LEU 31 HD11 LEU 31 9.990 -1.439 -4.748
251 HD12 LEU 31 HD12 LEU 31 10.221 -3.097 -4.195
252 HD13 LEU 31 HD13 LEU 31 11.145 -1.786 -3.461
253 HD21 LEU 31 HD21 LEU 31 10.298 -2.586 -1.235
254 HD22 LEU 31 HD22 LEU 31 9.273 -3.814 -1.978
255 HD23 LEU 31 HD23 LEU 31 8.563 -2.596 -0.915
256 H ALA 32 HN ALA 32 10.356 2.243 -2.927
257 HA ALA 32 HA ALA 32 12.356 1.568 -4.750
258 HB1 ALA 32 HB1 ALA 32 11.605 4.309 -3.742
259 HB2 ALA 32 HB2 ALA 32 10.814 3.444 -5.059
260 HB3 ALA 32 HB3 ALA 32 12.495 3.956 -5.224
261 H ASP 33 HN ASP 33 12.548 3.296 -1.676
262 HA ASP 33 HA ASP 33 15.341 3.742 -1.755
263 HB2 ASP 33 HB2 ASP 33 13.903 5.077 -0.327
264 HB3 ASP 33 HB1 ASP 33 13.424 3.647 0.581
265 HA 4PH 34 HA 4PH 34 15.482 -0.303 0.672
266 HB2 4PH 34 HB1 4PH 34 12.916 -1.408 -0.483
267 HB3 4PH 34 HB2 4PH 34 13.068 -0.685 1.112
268 HD2 4PH 34 HD2 4PH 34 14.813 -1.771 2.691
269 HD1 4PH 34 HD1 4PH 34 13.152 -3.702 -0.718
270 HE2 4PH 34 HE2 4PH 34 15.387 -3.960 3.654
271 HE1 4PH 34 HE1 4PH 34 13.723 -5.893 0.237
272 H33 4PH 34 H33 4PH 34 15.102 -7.002 1.758
273 H33A 4PH 34 H33A 4PH 34 15.779 -6.204 3.179
274 H33B 4PH 34 H33B 4PH 34 14.069 -6.650 3.138
275 H 4PH 34 HN 4PH 34 13.411 1.029 -0.798
276 HN1 NH2 35 HN1 NH2 35 17.231 -0.982 -0.348
277 HN2 NH2 35 HN2 NH2 35 17.274 -1.798 -1.871
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 14.136 -3.981 4.841
2 H2 ACE 0 HA2 ACE 0 14.101 -3.491 6.531
3 H3 ACE 0 HA3 ACE 0 12.961 -2.756 5.407
4 HA PRO 1 HA PRO 1 12.860 -5.232 3.170
5 HB2 PRO 1 HB2 PRO 1 11.385 -7.577 2.776
6 HB3 PRO 1 HB1 PRO 1 13.157 -7.460 2.748
7 HG2 PRO 1 HG2 PRO 1 11.359 -8.351 4.938
8 HG3 PRO 1 HG1 PRO 1 12.961 -8.960 4.459
9 HD2 PRO 1 HD2 PRO 1 12.662 -7.383 6.606
10 HD3 PRO 1 HD1 PRO 1 14.086 -7.245 5.549
11 HA PRO 2 HA PRO 2 8.799 -3.439 3.455
12 HB2 PRO 2 HB2 PRO 2 8.824 -2.149 1.041
13 HB3 PRO 2 HB1 PRO 2 9.685 -1.551 2.475
14 HG2 PRO 2 HG2 PRO 2 10.739 -2.875 0.066
15 HG3 PRO 2 HG1 PRO 2 11.504 -1.696 1.147
16 HD2 PRO 2 HD2 PRO 2 11.976 -4.448 1.136
17 HD3 PRO 2 HD1 PRO 2 12.426 -3.320 2.425
18 H THR 3 HN THR 3 7.267 -4.968 3.311
19 HA THR 3 HA THR 3 6.850 -6.401 0.814
20 HB THR 3 HB THR 3 5.113 -7.636 2.177
21 HG1 THR 3 HG1 THR 3 5.965 -7.121 4.598
22 HG21 THR 3 HG21 THR 3 6.755 -8.919 3.461
23 HG22 THR 3 HG22 THR 3 7.933 -7.623 3.256
24 HG23 THR 3 HG23 THR 3 7.366 -8.529 1.855
25 H LYS 4 HN LYS 4 5.031 -6.193 -0.447
26 HA LYS 4 HA LYS 4 3.610 -3.717 -0.202
27 HB2 LYS 4 HB2 LYS 4 2.621 -4.209 -2.305
28 HB3 LYS 4 HB1 LYS 4 4.266 -4.821 -2.401
29 HG2 LYS 4 HG2 LYS 4 3.425 -7.081 -1.925
30 HG3 LYS 4 HG1 LYS 4 1.779 -6.439 -1.928
31 HD2 LYS 4 HD2 LYS 4 2.116 -5.673 -4.251
32 HD3 LYS 4 HD1 LYS 4 3.723 -6.399 -4.235
33 HE2 LYS 4 HE2 LYS 4 1.099 -7.851 -3.913
34 HE3 LYS 4 HE1 LYS 4 2.133 -7.864 -5.339
35 HZ1 LYS 4 HZ1 LYS 4 2.460 -9.849 -4.038
36 HZ2 LYS 4 HZ2 LYS 4 2.836 -8.939 -2.666
37 HZ3 LYS 4 HZ3 LYS 4 3.871 -8.914 -4.005
38 HA PRO 5 HA PRO 5 0.168 -5.202 2.157
39 HB2 PRO 5 HB2 PRO 5 -1.701 -3.379 1.405
40 HB3 PRO 5 HB1 PRO 5 -0.372 -2.982 2.508
41 HG2 PRO 5 HG2 PRO 5 -0.611 -2.439 -0.413
42 HG3 PRO 5 HG1 PRO 5 -0.018 -1.385 0.887
43 HD2 PRO 5 HD2 PRO 5 1.652 -2.727 -0.755
44 HD3 PRO 5 HD1 PRO 5 2.051 -2.392 0.945
45 H THR 6 HN THR 6 -1.831 -6.260 1.909
46 HA THR 6 HA THR 6 -2.116 -7.647 -0.558
47 HB THR 6 HB THR 6 -2.609 -8.759 1.559
48 HG1 THR 6 HG1 THR 6 -5.134 -8.969 0.675
49 HG21 THR 6 HG21 THR 6 -4.938 -6.856 1.753
50 HG22 THR 6 HG22 THR 6 -3.533 -6.899 2.816
51 HG23 THR 6 HG23 THR 6 -4.668 -8.248 2.801
52 H LYS 7 HN LYS 7 -3.725 -7.556 -2.068
53 HA LYS 7 HA LYS 7 -4.763 -4.973 -2.636
54 HB2 LYS 7 HB2 LYS 7 -5.488 -7.601 -3.941
55 HB3 LYS 7 HB1 LYS 7 -5.712 -5.997 -4.620
56 HG2 LYS 7 HG2 LYS 7 -3.049 -7.254 -3.999
57 HG3 LYS 7 HG1 LYS 7 -3.798 -7.195 -5.592
58 HD2 LYS 7 HD2 LYS 7 -3.749 -4.738 -5.504
59 HD3 LYS 7 HD1 LYS 7 -2.977 -4.828 -3.917
60 HE2 LYS 7 HE2 LYS 7 -1.059 -5.950 -4.874
61 HE3 LYS 7 HE1 LYS 7 -1.833 -5.981 -6.456
62 HZ1 LYS 7 HZ1 LYS 7 -1.010 -3.543 -4.974
63 HZ2 LYS 7 HZ2 LYS 7 -1.778 -3.557 -6.475
64 HZ3 LYS 7 HZ3 LYS 7 -0.222 -4.201 -6.315
65 HA PRO 8 HA PRO 8 -8.556 -5.438 -0.237
66 HB2 PRO 8 HB2 PRO 8 -9.301 -2.946 -1.637
67 HB3 PRO 8 HB1 PRO 8 -9.161 -3.260 0.106
68 HG2 PRO 8 HG2 PRO 8 -7.399 -1.738 -1.191
69 HG3 PRO 8 HG1 PRO 8 -6.913 -2.801 0.147
70 HD2 PRO 8 HD2 PRO 8 -6.590 -3.209 -2.803
71 HD3 PRO 8 HD1 PRO 8 -5.465 -3.586 -1.476
72 H GLY 9 HN GLY 9 -10.026 -6.843 -0.933
73 HA2 GLY 9 HA2 GLY 9 -11.134 -6.535 -3.638
74 HA3 GLY 9 HA1 GLY 9 -11.259 -7.981 -2.642
75 H ASP 10 HN ASP 10 -12.493 -7.674 -0.575
76 HA ASP 10 HA ASP 10 -15.052 -6.497 -1.195
77 HB2 ASP 10 HB2 ASP 10 -14.065 -7.959 1.263
78 HB3 ASP 10 HB1 ASP 10 -15.718 -7.407 1.035
79 H ASN 11 HN ASN 11 -12.303 -5.787 0.817
80 HA ASN 11 HA ASN 11 -13.656 -3.647 2.217
81 HB2 ASN 11 HB2 ASN 11 -11.512 -3.293 3.361
82 HB3 ASN 11 HB1 ASN 11 -12.014 -4.975 3.446
83 HD21 ASN 11 HD21 ASN 11 -9.360 -3.618 3.608
84 HD22 ASN 11 HD22 ASN 11 -8.373 -4.446 2.462
85 H ALA 12 HN ALA 12 -12.812 -3.793 -0.800
86 HA ALA 12 HA ALA 12 -11.111 -1.526 -1.150
87 HB1 ALA 12 HB1 ALA 12 -11.165 -3.351 -2.765
88 HB2 ALA 12 HB2 ALA 12 -11.568 -1.811 -3.526
89 HB3 ALA 12 HB3 ALA 12 -12.844 -2.967 -3.145
90 H THR 13 HN THR 13 -13.646 -1.183 0.363
91 HA THR 13 HA THR 13 -15.509 0.353 -1.054
92 HB THR 13 HB THR 13 -15.942 1.366 1.265
93 HG1 THR 13 HG1 THR 13 -14.684 -0.667 2.547
94 HG21 THR 13 HG21 THR 13 -16.048 -1.629 0.913
95 HG22 THR 13 HG22 THR 13 -17.251 -0.475 0.339
96 HG23 THR 13 HG23 THR 13 -16.995 -0.692 2.070
97 HA PRO 14 HA PRO 14 -13.534 3.903 -2.523
98 HB2 PRO 14 HB2 PRO 14 -15.685 5.419 -1.085
99 HB3 PRO 14 HB1 PRO 14 -15.124 5.580 -2.761
100 HG2 PRO 14 HG2 PRO 14 -17.373 4.297 -2.178
101 HG3 PRO 14 HG1 PRO 14 -16.298 3.758 -3.488
102 HD2 PRO 14 HD2 PRO 14 -16.801 2.515 -0.851
103 HD3 PRO 14 HD1 PRO 14 -16.212 1.782 -2.352
104 H GLU 15 HN GLU 15 -14.658 4.404 0.851
105 HA GLU 15 HA GLU 15 -12.846 6.549 1.300
106 HB2 GLU 15 HB2 GLU 15 -14.345 4.828 3.274
107 HB3 GLU 15 HB1 GLU 15 -13.456 6.281 3.696
108 HG2 GLU 15 HG2 GLU 15 -14.940 7.577 2.224
109 HG3 GLU 15 HG1 GLU 15 -15.849 6.104 1.891
110 H LYS 16 HN LYS 16 -12.717 3.101 1.976
111 HA LYS 16 HA LYS 16 -10.227 3.323 3.411
112 HB2 LYS 16 HB2 LYS 16 -11.877 1.611 4.035
113 HB3 LYS 16 HB1 LYS 16 -11.715 0.870 2.444
114 HG2 LYS 16 HG2 LYS 16 -9.363 0.379 2.924
115 HG3 LYS 16 HG1 LYS 16 -9.545 1.098 4.525
116 HD2 LYS 16 HD2 LYS 16 -11.111 -1.265 3.499
117 HD3 LYS 16 HD1 LYS 16 -9.698 -1.369 4.548
118 HE2 LYS 16 HE2 LYS 16 -12.260 0.068 5.223
119 HE3 LYS 16 HE1 LYS 16 -11.834 -1.548 5.775
120 HZ1 LYS 16 HZ1 LYS 16 -9.935 -0.624 6.934
121 HZ2 LYS 16 HZ2 LYS 16 -11.355 0.133 7.447
122 HZ3 LYS 16 HZ3 LYS 16 -10.313 0.931 6.383
123 H LEU 17 HN LEU 17 -11.317 2.497 0.193
124 HA LEU 17 HA LEU 17 -8.930 1.396 -0.795
125 HB2 LEU 17 HB2 LEU 17 -11.141 1.297 -1.921
126 HB3 LEU 17 HB1 LEU 17 -11.000 3.005 -2.287
127 HG LEU 17 HG LEU 17 -9.057 2.547 -3.712
128 HD11 LEU 17 HD11 LEU 17 -8.479 0.225 -4.260
129 HD12 LEU 17 HD12 LEU 17 -9.604 -0.336 -3.022
130 HD13 LEU 17 HD13 LEU 17 -8.181 0.592 -2.563
131 HD21 LEU 17 HD21 LEU 17 -11.308 2.543 -4.657
132 HD22 LEU 17 HD22 LEU 17 -11.447 0.818 -4.317
133 HD23 LEU 17 HD23 LEU 17 -10.259 1.393 -5.488
134 H ALA 18 HN ALA 18 -10.087 4.688 -0.508
135 HA ALA 18 HA ALA 18 -7.933 5.966 -1.816
136 HB1 ALA 18 HB1 ALA 18 -10.065 7.068 -1.434
137 HB2 ALA 18 HB2 ALA 18 -8.750 7.990 -0.708
138 HB3 ALA 18 HB3 ALA 18 -9.800 7.000 0.307
139 H LYS 19 HN LYS 19 -8.542 5.017 1.510
140 HA LYS 19 HA LYS 19 -6.221 6.171 2.643
141 HB2 LYS 19 HB2 LYS 19 -8.196 5.396 3.942
142 HB3 LYS 19 HB1 LYS 19 -7.767 3.734 3.562
143 HG2 LYS 19 HG2 LYS 19 -7.043 4.265 5.790
144 HG3 LYS 19 HG1 LYS 19 -5.634 4.037 4.754
145 HD2 LYS 19 HD2 LYS 19 -5.279 6.396 4.599
146 HD3 LYS 19 HD1 LYS 19 -6.814 6.733 5.403
147 HE2 LYS 19 HE2 LYS 19 -4.482 5.300 6.667
148 HE3 LYS 19 HE1 LYS 19 -4.848 7.010 6.883
149 HZ1 LYS 19 HZ1 LYS 19 -6.986 6.378 7.834
150 HZ2 LYS 19 HZ2 LYS 19 -5.705 5.717 8.711
151 HZ3 LYS 19 HZ3 LYS 19 -6.598 4.742 7.658
152 HA 4PH 20 HA 4PH 20 -4.495 1.783 1.691
153 HB2 4PH 20 HB1 4PH 20 -6.530 1.428 -0.505
154 HB3 4PH 20 HB2 4PH 20 -6.423 0.520 0.995
155 HD2 4PH 20 HD2 4PH 20 -4.249 -0.838 1.357
156 HD1 4PH 20 HD1 4PH 20 -5.572 0.601 -2.416
157 HE2 4PH 20 HE2 4PH 20 -2.863 -2.521 0.230
158 HE1 4PH 20 HE1 4PH 20 -4.188 -1.080 -3.551
159 H33 4PH 20 H33 4PH 20 -1.673 -2.460 -2.536
160 H33A 4PH 20 H33A 4PH 20 -2.602 -3.746 -1.757
161 H33B 4PH 20 H33B 4PH 20 -3.114 -3.093 -3.318
162 H 4PH 20 HN 4PH 20 -6.937 3.070 1.170
163 H GLN 21 HN GLN 21 -5.544 3.862 -0.978
164 HA GLN 21 HA GLN 21 -3.289 3.594 -2.612
165 HB2 GLN 21 HB2 GLN 21 -5.122 5.956 -2.198
166 HB3 GLN 21 HB1 GLN 21 -3.904 5.872 -3.463
167 HG2 GLN 21 HG2 GLN 21 -6.142 3.891 -3.145
168 HG3 GLN 21 HG1 GLN 21 -6.208 5.304 -4.197
169 HE21 GLN 21 HE21 GLN 21 -4.782 2.168 -3.695
170 HE22 GLN 21 HE22 GLN 21 -4.133 1.999 -5.286
171 H ALA 22 HN ALA 22 -3.870 5.594 0.205
172 HA ALA 22 HA ALA 22 -1.465 7.093 0.048
173 HB1 ALA 22 HB1 ALA 22 -3.218 6.496 2.423
174 HB2 ALA 22 HB2 ALA 22 -3.405 7.853 1.315
175 HB3 ALA 22 HB3 ALA 22 -1.975 7.746 2.342
176 H ASP 23 HN ASP 23 -2.364 4.024 1.493
177 HA ASP 23 HA ASP 23 0.060 3.646 2.945
178 HB2 ASP 23 HB2 ASP 23 -2.198 2.335 3.154
179 HB3 ASP 23 HB1 ASP 23 -1.529 1.342 1.862
180 H LEU 24 HN LEU 24 -1.080 2.668 -0.255
181 HA LEU 24 HA LEU 24 1.222 1.368 -1.133
182 HB2 LEU 24 HB2 LEU 24 -0.961 2.858 -2.518
183 HB3 LEU 24 HB1 LEU 24 0.462 2.396 -3.433
184 HG LEU 24 HG LEU 24 -1.416 0.519 -1.998
185 HD11 LEU 24 HD11 LEU 24 -1.931 -0.255 -4.270
186 HD12 LEU 24 HD12 LEU 24 -0.902 1.018 -4.926
187 HD13 LEU 24 HD13 LEU 24 -2.362 1.437 -4.031
188 HD21 LEU 24 HD21 LEU 24 0.769 -0.422 -1.864
189 HD22 LEU 24 HD22 LEU 24 1.132 0.020 -3.530
190 HD23 LEU 24 HD23 LEU 24 -0.059 -1.235 -3.189
191 H ALA 25 HN ALA 25 0.449 4.796 -0.981
192 HA ALA 25 HA ALA 25 2.610 5.790 -2.439
193 HB1 ALA 25 HB1 ALA 25 2.266 7.879 -1.234
194 HB2 ALA 25 HB2 ALA 25 1.266 7.039 -0.047
195 HB3 ALA 25 HB3 ALA 25 0.725 7.173 -1.720
196 H LYS 26 HN LYS 26 2.347 4.928 0.986
197 HA LYS 26 HA LYS 26 4.967 5.679 1.716
198 HB2 LYS 26 HB2 LYS 26 3.151 3.575 2.903
199 HB3 LYS 26 HB1 LYS 26 4.653 4.114 3.634
200 HG2 LYS 26 HG2 LYS 26 3.605 6.453 3.589
201 HG3 LYS 26 HG1 LYS 26 2.082 5.611 3.298
202 HD2 LYS 26 HD2 LYS 26 3.934 5.195 5.648
203 HD3 LYS 26 HD1 LYS 26 2.386 6.040 5.679
204 HE2 LYS 26 HE2 LYS 26 2.645 3.164 4.841
205 HE3 LYS 26 HE1 LYS 26 2.403 3.641 6.519
206 HZ1 LYS 26 HZ1 LYS 26 0.316 4.528 6.031
207 HZ2 LYS 26 HZ2 LYS 26 0.355 3.058 5.185
208 HZ3 LYS 26 HZ3 LYS 26 0.587 4.523 4.364
209 HA 4PH 27 HA 4PH 27 5.922 1.091 0.801
210 HB2 4PH 27 HB1 4PH 27 3.400 0.786 -0.820
211 HB3 4PH 27 HB2 4PH 27 3.878 -0.098 0.621
212 HD2 4PH 27 HD2 4PH 27 3.537 -0.302 -2.816
213 HD1 4PH 27 HD1 4PH 27 6.189 -1.443 0.312
214 HE2 4PH 27 HE2 4PH 27 4.457 -2.068 -4.248
215 HE1 4PH 27 HE1 4PH 27 7.113 -3.218 -1.120
216 H33 4PH 27 H33 4PH 27 5.627 -4.074 -4.278
217 H33A 4PH 27 H33A 4PH 27 7.221 -3.334 -4.135
218 H33B 4PH 27 H33B 4PH 27 6.704 -4.561 -2.973
219 H 4PH 27 HN 4PH 27 3.572 2.629 0.615
220 H GLN 28 HN GLN 28 4.531 2.932 -1.893
221 HA GLN 28 HA GLN 28 6.335 2.124 -3.868
222 HB2 GLN 28 HB2 GLN 28 4.711 4.637 -3.540
223 HB3 GLN 28 HB1 GLN 28 5.736 4.360 -4.944
224 HG2 GLN 28 HG2 GLN 28 3.480 2.557 -4.067
225 HG3 GLN 28 HG1 GLN 28 3.379 3.772 -5.339
226 HE21 GLN 28 HE21 GLN 28 4.567 0.656 -4.451
227 HE22 GLN 28 HE22 GLN 28 5.122 0.182 -6.014
228 H LYS 29 HN LYS 29 6.556 4.762 -1.522
229 HA LYS 29 HA LYS 29 8.992 5.758 -2.654
230 HB2 LYS 29 HB2 LYS 29 7.469 7.255 -1.448
231 HB3 LYS 29 HB1 LYS 29 7.728 6.341 0.032
232 HG2 LYS 29 HG2 LYS 29 9.034 8.395 0.018
233 HG3 LYS 29 HG1 LYS 29 10.080 6.974 0.027
234 HD2 LYS 29 HD2 LYS 29 10.264 7.211 -2.466
235 HD3 LYS 29 HD1 LYS 29 9.417 8.751 -2.316
236 HE2 LYS 29 HE2 LYS 29 12.013 8.049 -0.956
237 HE3 LYS 29 HE1 LYS 29 11.868 9.006 -2.426
238 HZ1 LYS 29 HZ1 LYS 29 12.117 10.410 -0.493
239 HZ2 LYS 29 HZ2 LYS 29 10.752 9.726 0.228
240 HZ3 LYS 29 HZ3 LYS 29 10.591 10.640 -1.184
241 H ASP 30 HN ASP 30 8.141 3.759 0.147
242 HA ASP 30 HA ASP 30 10.777 3.628 1.177
243 HB2 ASP 30 HB2 ASP 30 8.654 3.125 2.457
244 HB3 ASP 30 HB1 ASP 30 8.612 1.572 1.627
245 H LEU 31 HN LEU 31 9.009 1.698 -1.157
246 HA LEU 31 HA LEU 31 10.857 -0.422 -1.391
247 HB2 LEU 31 HB2 LEU 31 8.443 -0.173 -2.325
248 HB3 LEU 31 HB1 LEU 31 9.208 0.637 -3.673
249 HG LEU 31 HG LEU 31 8.657 -1.771 -4.058
250 HD11 LEU 31 HD11 LEU 31 10.788 -2.352 -5.106
251 HD12 LEU 31 HD12 LEU 31 11.571 -1.037 -4.228
252 HD13 LEU 31 HD13 LEU 31 10.330 -0.679 -5.428
253 HD21 LEU 31 HD21 LEU 31 9.956 -3.486 -3.025
254 HD22 LEU 31 HD22 LEU 31 9.226 -2.498 -1.755
255 HD23 LEU 31 HD23 LEU 31 10.931 -2.297 -2.163
256 H ALA 32 HN ALA 32 10.573 2.703 -2.983
257 HA ALA 32 HA ALA 32 12.734 2.397 -4.767
258 HB1 ALA 32 HB1 ALA 32 12.613 4.832 -4.998
259 HB2 ALA 32 HB2 ALA 32 11.539 4.907 -3.601
260 HB3 ALA 32 HB3 ALA 32 11.014 4.094 -5.074
261 H ASP 33 HN ASP 33 12.457 3.790 -1.540
262 HA ASP 33 HA ASP 33 15.122 4.663 -1.271
263 HB2 ASP 33 HB2 ASP 33 13.346 5.459 0.204
264 HB3 ASP 33 HB1 ASP 33 13.121 3.836 0.842
265 HA 4PH 34 HA 4PH 34 15.623 0.339 0.825
266 HB2 4PH 34 HB1 4PH 34 13.518 -0.863 -0.986
267 HB3 4PH 34 HB2 4PH 34 13.327 -0.529 0.729
268 HD2 4PH 34 HD2 4PH 34 15.089 -1.681 2.288
269 HD1 4PH 34 HD1 4PH 34 14.102 -3.001 -1.634
270 HE2 4PH 34 HE2 4PH 34 15.906 -3.935 2.842
271 HE1 4PH 34 HE1 4PH 34 14.915 -5.253 -1.091
272 H33 4PH 34 H33 4PH 34 16.288 -6.482 0.329
273 H33A 4PH 34 H33A 4PH 34 16.690 -5.945 1.961
274 H33B 4PH 34 H33B 4PH 34 15.082 -6.587 1.608
275 H 4PH 34 HN 4PH 34 13.551 1.605 -0.547
276 HN1 NH2 35 HN1 NH2 35 17.529 -0.381 0.211
277 HN2 NH2 35 HN2 NH2 35 18.045 -0.662 -1.413
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 15.066 -2.813 3.469
2 H2 ACE 0 HA2 ACE 0 14.651 -1.503 4.571
3 H3 ACE 0 HA3 ACE 0 13.611 -1.809 3.184
4 HA PRO 1 HA PRO 1 12.999 -4.351 2.209
5 HB2 PRO 1 HB2 PRO 1 11.882 -6.855 3.353
6 HB3 PRO 1 HB1 PRO 1 12.949 -6.635 1.954
7 HG2 PRO 1 HG2 PRO 1 13.858 -7.672 4.221
8 HG3 PRO 1 HG1 PRO 1 14.854 -6.586 3.226
9 HD2 PRO 1 HD2 PRO 1 13.383 -5.995 5.764
10 HD3 PRO 1 HD1 PRO 1 14.978 -5.429 5.221
11 HA PRO 2 HA PRO 2 8.905 -2.866 3.384
12 HB2 PRO 2 HB2 PRO 2 8.245 -1.892 0.920
13 HB3 PRO 2 HB1 PRO 2 9.305 -1.022 2.047
14 HG2 PRO 2 HG2 PRO 2 10.003 -2.626 -0.349
15 HG3 PRO 2 HG1 PRO 2 10.728 -1.130 0.273
16 HD2 PRO 2 HD2 PRO 2 11.822 -3.623 0.617
17 HD3 PRO 2 HD1 PRO 2 12.122 -2.247 1.697
18 H THR 3 HN THR 3 7.239 -4.220 3.573
19 HA THR 3 HA THR 3 6.941 -6.437 1.767
20 HB THR 3 HB THR 3 4.923 -6.885 3.360
21 HG1 THR 3 HG1 THR 3 4.867 -5.719 5.174
22 HG21 THR 3 HG21 THR 3 7.772 -7.006 4.349
23 HG22 THR 3 HG22 THR 3 6.982 -8.200 3.322
24 HG23 THR 3 HG23 THR 3 6.421 -7.949 4.974
25 H LYS 4 HN LYS 4 5.473 -6.667 0.209
26 HA LYS 4 HA LYS 4 3.976 -4.373 -0.609
27 HB2 LYS 4 HB2 LYS 4 3.359 -5.653 -2.561
28 HB3 LYS 4 HB1 LYS 4 5.062 -5.928 -2.228
29 HG2 LYS 4 HG2 LYS 4 4.523 -8.069 -1.206
30 HG3 LYS 4 HG1 LYS 4 2.810 -7.786 -1.519
31 HD2 LYS 4 HD2 LYS 4 3.248 -7.747 -3.917
32 HD3 LYS 4 HD1 LYS 4 4.969 -7.990 -3.616
33 HE2 LYS 4 HE2 LYS 4 3.836 -10.074 -4.251
34 HE3 LYS 4 HE1 LYS 4 4.526 -10.157 -2.632
35 HZ1 LYS 4 HZ1 LYS 4 2.327 -9.725 -1.721
36 HZ2 LYS 4 HZ2 LYS 4 2.320 -11.109 -2.686
37 HZ3 LYS 4 HZ3 LYS 4 1.667 -9.665 -3.278
38 HA PRO 5 HA PRO 5 0.159 -5.467 1.444
39 HB2 PRO 5 HB2 PRO 5 -1.397 -3.585 0.270
40 HB3 PRO 5 HB1 PRO 5 -0.227 -3.188 1.539
41 HG2 PRO 5 HG2 PRO 5 0.017 -2.864 -1.408
42 HG3 PRO 5 HG1 PRO 5 0.515 -1.770 -0.105
43 HD2 PRO 5 HD2 PRO 5 2.241 -3.400 -1.420
44 HD3 PRO 5 HD1 PRO 5 2.475 -2.885 0.266
45 H THR 6 HN THR 6 -1.970 -6.237 0.869
46 HA THR 6 HA THR 6 -2.027 -7.507 -1.763
47 HB THR 6 HB THR 6 -2.421 -8.885 0.290
48 HG1 THR 6 HG1 THR 6 -3.366 -10.041 -1.189
49 HG21 THR 6 HG21 THR 6 -5.014 -7.349 0.406
50 HG22 THR 6 HG22 THR 6 -3.712 -7.276 1.593
51 HG23 THR 6 HG23 THR 6 -4.617 -8.773 1.369
52 H LYS 7 HN LYS 7 -4.001 -7.497 -3.004
53 HA LYS 7 HA LYS 7 -5.037 -4.878 -3.326
54 HB2 LYS 7 HB2 LYS 7 -5.885 -7.501 -4.556
55 HB3 LYS 7 HB1 LYS 7 -6.521 -5.935 -5.038
56 HG2 LYS 7 HG2 LYS 7 -3.635 -6.768 -5.206
57 HG3 LYS 7 HG1 LYS 7 -4.772 -6.732 -6.553
58 HD2 LYS 7 HD2 LYS 7 -5.070 -4.299 -6.173
59 HD3 LYS 7 HD1 LYS 7 -3.838 -4.378 -4.914
60 HE2 LYS 7 HE2 LYS 7 -3.421 -5.091 -7.810
61 HE3 LYS 7 HE1 LYS 7 -2.938 -3.576 -7.052
62 HZ1 LYS 7 HZ1 LYS 7 -1.427 -4.772 -5.635
63 HZ2 LYS 7 HZ2 LYS 7 -1.108 -5.168 -7.244
64 HZ3 LYS 7 HZ3 LYS 7 -1.941 -6.258 -6.260
65 HA PRO 8 HA PRO 8 -8.353 -4.903 -0.382
66 HB2 PRO 8 HB2 PRO 8 -9.614 -3.017 -2.301
67 HB3 PRO 8 HB1 PRO 8 -9.248 -2.799 -0.577
68 HG2 PRO 8 HG2 PRO 8 -7.827 -1.582 -2.461
69 HG3 PRO 8 HG1 PRO 8 -7.069 -2.191 -0.976
70 HD2 PRO 8 HD2 PRO 8 -7.011 -3.331 -3.733
71 HD3 PRO 8 HD1 PRO 8 -5.746 -3.310 -2.483
72 H GLY 9 HN GLY 9 -9.798 -6.462 -0.240
73 HA2 GLY 9 HA2 GLY 9 -11.353 -7.216 -2.617
74 HA3 GLY 9 HA1 GLY 9 -11.153 -8.196 -1.172
75 H ASP 10 HN ASP 10 -12.105 -7.235 0.854
76 HA ASP 10 HA ASP 10 -14.787 -6.258 0.248
77 HB2 ASP 10 HB2 ASP 10 -13.558 -7.231 2.837
78 HB3 ASP 10 HB1 ASP 10 -15.221 -6.689 2.669
79 H ASN 11 HN ASN 11 -11.782 -5.183 1.457
80 HA ASN 11 HA ASN 11 -12.838 -2.787 2.694
81 HB2 ASN 11 HB2 ASN 11 -10.467 -2.231 3.130
82 HB3 ASN 11 HB1 ASN 11 -10.899 -3.823 3.736
83 HD21 ASN 11 HD21 ASN 11 -8.293 -2.663 3.008
84 HD22 ASN 11 HD22 ASN 11 -7.615 -3.746 1.851
85 H ALA 12 HN ALA 12 -12.804 -3.571 -0.324
86 HA ALA 12 HA ALA 12 -11.281 -1.468 -1.548
87 HB1 ALA 12 HB1 ALA 12 -12.109 -2.335 -3.632
88 HB2 ALA 12 HB2 ALA 12 -13.324 -3.296 -2.787
89 HB3 ALA 12 HB3 ALA 12 -11.613 -3.679 -2.601
90 H THR 13 HN THR 13 -13.516 -0.804 0.339
91 HA THR 13 HA THR 13 -15.591 0.425 -1.182
92 HB THR 13 HB THR 13 -16.056 1.637 0.983
93 HG1 THR 13 HG1 THR 13 -14.805 1.199 2.732
94 HG21 THR 13 HG21 THR 13 -15.796 -1.364 1.166
95 HG22 THR 13 HG22 THR 13 -17.131 -0.497 0.409
96 HG23 THR 13 HG23 THR 13 -16.854 -0.349 2.144
97 HA PRO 14 HA PRO 14 -13.778 4.014 -2.910
98 HB2 PRO 14 HB2 PRO 14 -15.909 5.503 -1.422
99 HB3 PRO 14 HB1 PRO 14 -15.438 5.621 -3.127
100 HG2 PRO 14 HG2 PRO 14 -17.619 4.294 -2.363
101 HG3 PRO 14 HG1 PRO 14 -16.626 3.774 -3.743
102 HD2 PRO 14 HD2 PRO 14 -16.929 2.526 -1.089
103 HD3 PRO 14 HD1 PRO 14 -16.372 1.815 -2.612
104 H GLU 15 HN GLU 15 -14.703 4.326 0.517
105 HA GLU 15 HA GLU 15 -12.932 6.540 0.944
106 HB2 GLU 15 HB2 GLU 15 -14.566 4.832 2.800
107 HB3 GLU 15 HB1 GLU 15 -13.476 6.074 3.397
108 HG2 GLU 15 HG2 GLU 15 -14.705 7.759 2.130
109 HG3 GLU 15 HG1 GLU 15 -15.794 6.511 1.534
110 H LYS 16 HN LYS 16 -12.807 3.080 1.746
111 HA LYS 16 HA LYS 16 -10.280 3.441 3.093
112 HB2 LYS 16 HB2 LYS 16 -11.991 1.816 3.913
113 HB3 LYS 16 HB1 LYS 16 -11.711 0.852 2.463
114 HG2 LYS 16 HG2 LYS 16 -9.494 0.349 3.118
115 HG3 LYS 16 HG1 LYS 16 -9.524 1.556 4.403
116 HD2 LYS 16 HD2 LYS 16 -11.197 0.254 5.603
117 HD3 LYS 16 HD1 LYS 16 -11.213 -0.944 4.309
118 HE2 LYS 16 HE2 LYS 16 -8.836 -1.401 4.726
119 HE3 LYS 16 HE1 LYS 16 -8.848 -0.227 6.039
120 HZ1 LYS 16 HZ1 LYS 16 -10.547 -1.615 7.136
121 HZ2 LYS 16 HZ2 LYS 16 -9.073 -2.412 6.934
122 HZ3 LYS 16 HZ3 LYS 16 -10.370 -2.771 5.915
123 H LEU 17 HN LEU 17 -11.418 2.585 -0.037
124 HA LEU 17 HA LEU 17 -9.115 1.373 -1.101
125 HB2 LEU 17 HB2 LEU 17 -11.317 1.496 -2.236
126 HB3 LEU 17 HB1 LEU 17 -11.084 3.219 -2.461
127 HG LEU 17 HG LEU 17 -9.147 2.753 -3.915
128 HD11 LEU 17 HD11 LEU 17 -9.945 -0.125 -3.506
129 HD12 LEU 17 HD12 LEU 17 -8.445 0.633 -2.977
130 HD13 LEU 17 HD13 LEU 17 -8.780 0.453 -4.697
131 HD21 LEU 17 HD21 LEU 17 -10.441 1.866 -5.798
132 HD22 LEU 17 HD22 LEU 17 -11.358 3.060 -4.878
133 HD23 LEU 17 HD23 LEU 17 -11.696 1.341 -4.676
134 H ALA 18 HN ALA 18 -10.014 4.686 -0.498
135 HA ALA 18 HA ALA 18 -7.782 5.906 -1.762
136 HB1 ALA 18 HB1 ALA 18 -8.463 7.907 -0.506
137 HB2 ALA 18 HB2 ALA 18 -9.614 6.924 0.403
138 HB3 ALA 18 HB3 ALA 18 -9.822 7.146 -1.333
139 H LYS 19 HN LYS 19 -8.486 4.781 1.500
140 HA LYS 19 HA LYS 19 -6.104 5.651 2.726
141 HB2 LYS 19 HB2 LYS 19 -8.022 4.882 4.038
142 HB3 LYS 19 HB1 LYS 19 -7.850 3.263 3.373
143 HG2 LYS 19 HG2 LYS 19 -5.671 3.041 4.447
144 HG3 LYS 19 HG1 LYS 19 -5.833 4.666 5.115
145 HD2 LYS 19 HD2 LYS 19 -7.697 2.361 5.685
146 HD3 LYS 19 HD1 LYS 19 -6.398 2.900 6.747
147 HE2 LYS 19 HE2 LYS 19 -8.800 4.518 5.903
148 HE3 LYS 19 HE1 LYS 19 -8.543 3.785 7.484
149 HZ1 LYS 19 HZ1 LYS 19 -6.581 5.204 7.749
150 HZ2 LYS 19 HZ2 LYS 19 -7.992 6.107 7.555
151 HZ3 LYS 19 HZ3 LYS 19 -6.912 5.945 6.269
152 HA 4PH 20 HA 4PH 20 -4.569 1.334 1.301
153 HB2 4PH 20 HB1 4PH 20 -6.491 1.317 -1.036
154 HB3 4PH 20 HB2 4PH 20 -6.567 0.275 0.378
155 HD2 4PH 20 HD2 4PH 20 -5.434 0.566 -2.936
156 HD1 4PH 20 HD1 4PH 20 -4.487 -1.220 0.803
157 HE2 4PH 20 HE2 4PH 20 -4.031 -1.090 -4.092
158 HE1 4PH 20 HE1 4PH 20 -3.091 -2.884 -0.341
159 H33 4PH 20 H33 4PH 20 -3.238 -3.877 -3.196
160 H33A 4PH 20 H33A 4PH 20 -2.240 -2.565 -3.820
161 H33B 4PH 20 H33B 4PH 20 -1.864 -3.307 -2.261
162 H 4PH 20 HN 4PH 20 -6.964 2.741 0.940
163 H GLN 21 HN GLN 21 -5.545 3.636 -1.244
164 HA GLN 21 HA GLN 21 -3.143 3.561 -2.694
165 HB2 GLN 21 HB2 GLN 21 -5.172 5.775 -2.376
166 HB3 GLN 21 HB1 GLN 21 -3.832 5.839 -3.512
167 HG2 GLN 21 HG2 GLN 21 -5.950 3.705 -3.501
168 HG3 GLN 21 HG1 GLN 21 -5.986 5.145 -4.519
169 HE21 GLN 21 HE21 GLN 21 -4.399 2.098 -3.918
170 HE22 GLN 21 HE22 GLN 21 -3.569 2.012 -5.427
171 H ALA 22 HN ALA 22 -4.081 5.381 0.151
172 HA ALA 22 HA ALA 22 -1.813 7.066 0.266
173 HB1 ALA 22 HB1 ALA 22 -3.888 7.526 1.479
174 HB2 ALA 22 HB2 ALA 22 -2.497 7.497 2.561
175 HB3 ALA 22 HB3 ALA 22 -3.598 6.120 2.501
176 H ASP 23 HN ASP 23 -2.557 3.891 1.588
177 HA ASP 23 HA ASP 23 -0.173 3.598 3.100
178 HB2 ASP 23 HB2 ASP 23 -2.127 2.203 3.549
179 HB3 ASP 23 HB1 ASP 23 -2.025 1.495 1.939
180 H LEU 24 HN LEU 24 -1.042 2.796 -0.225
181 HA LEU 24 HA LEU 24 1.310 1.424 -0.915
182 HB2 LEU 24 HB2 LEU 24 -0.801 2.858 -2.453
183 HB3 LEU 24 HB1 LEU 24 0.692 2.454 -3.278
184 HG LEU 24 HG LEU 24 -1.238 0.813 -3.519
185 HD11 LEU 24 HD11 LEU 24 0.236 -1.135 -3.401
186 HD12 LEU 24 HD12 LEU 24 1.398 -0.199 -2.458
187 HD13 LEU 24 HD13 LEU 24 1.052 0.250 -4.128
188 HD21 LEU 24 HD21 LEU 24 -1.955 0.816 -1.187
189 HD22 LEU 24 HD22 LEU 24 -0.410 0.112 -0.708
190 HD23 LEU 24 HD23 LEU 24 -1.520 -0.807 -1.725
191 H ALA 25 HN ALA 25 0.598 4.828 -0.645
192 HA ALA 25 HA ALA 25 2.839 5.827 -2.028
193 HB1 ALA 25 HB1 ALA 25 0.934 7.223 -1.390
194 HB2 ALA 25 HB2 ALA 25 2.456 7.896 -0.802
195 HB3 ALA 25 HB3 ALA 25 1.377 7.047 0.307
196 H LYS 26 HN LYS 26 2.432 4.555 1.207
197 HA LYS 26 HA LYS 26 5.040 5.345 2.104
198 HB2 LYS 26 HB2 LYS 26 2.957 3.457 3.179
199 HB3 LYS 26 HB1 LYS 26 4.555 3.565 3.905
200 HG2 LYS 26 HG2 LYS 26 4.177 5.990 4.253
201 HG3 LYS 26 HG1 LYS 26 2.534 5.779 3.646
202 HD2 LYS 26 HD2 LYS 26 1.961 4.352 5.458
203 HD3 LYS 26 HD1 LYS 26 3.644 4.224 5.972
204 HE2 LYS 26 HE2 LYS 26 1.947 6.719 6.036
205 HE3 LYS 26 HE1 LYS 26 2.396 5.733 7.426
206 HZ1 LYS 26 HZ1 LYS 26 4.248 7.275 5.692
207 HZ2 LYS 26 HZ2 LYS 26 4.736 6.251 6.943
208 HZ3 LYS 26 HZ3 LYS 26 3.833 7.635 7.290
209 HA 4PH 27 HA 4PH 27 5.836 0.737 1.039
210 HB2 4PH 27 HB1 4PH 27 3.395 0.672 -0.736
211 HB3 4PH 27 HB2 4PH 27 3.731 -0.316 0.678
212 HD2 4PH 27 HD2 4PH 27 3.716 -0.228 -2.821
213 HD1 4PH 27 HD1 4PH 27 5.856 -1.855 0.473
214 HE2 4PH 27 HE2 4PH 27 4.644 -1.962 -4.290
215 HE1 4PH 27 HE1 4PH 27 6.793 -3.598 -0.991
216 H33 4PH 27 H33 4PH 27 7.237 -3.489 -3.992
217 H33A 4PH 27 H33A 4PH 27 6.510 -4.752 -2.999
218 H33B 4PH 27 H33B 4PH 27 5.615 -4.065 -4.360
219 H 4PH 27 HN 4PH 27 3.574 2.386 0.870
220 H GLN 28 HN GLN 28 4.628 2.733 -1.648
221 HA GLN 28 HA GLN 28 6.653 1.988 -3.475
222 HB2 GLN 28 HB2 GLN 28 4.850 4.406 -3.357
223 HB3 GLN 28 HB1 GLN 28 5.960 4.095 -4.686
224 HG2 GLN 28 HG2 GLN 28 3.707 2.289 -3.825
225 HG3 GLN 28 HG1 GLN 28 3.680 3.383 -5.202
226 HE21 GLN 28 HE21 GLN 28 3.340 0.513 -5.163
227 HE22 GLN 28 HE22 GLN 28 4.575 -0.143 -6.172
228 H LYS 29 HN LYS 29 6.451 4.484 -1.035
229 HA LYS 29 HA LYS 29 8.628 6.056 -1.858
230 HB2 LYS 29 HB2 LYS 29 6.996 6.846 -0.227
231 HB3 LYS 29 HB1 LYS 29 7.498 5.607 0.910
232 HG2 LYS 29 HG2 LYS 29 9.699 6.632 1.079
233 HG3 LYS 29 HG1 LYS 29 9.221 7.863 -0.089
234 HD2 LYS 29 HD2 LYS 29 7.585 7.468 2.376
235 HD3 LYS 29 HD1 LYS 29 9.109 8.346 2.485
236 HE2 LYS 29 HE2 LYS 29 7.303 9.909 2.164
237 HE3 LYS 29 HE1 LYS 29 8.316 9.881 0.723
238 HZ1 LYS 29 HZ1 LYS 29 6.688 8.495 -0.369
239 HZ2 LYS 29 HZ2 LYS 29 5.953 9.903 0.194
240 HZ3 LYS 29 HZ3 LYS 29 5.733 8.449 1.024
241 H ASP 30 HN ASP 30 8.457 3.394 0.511
242 HA ASP 30 HA ASP 30 11.274 3.505 1.027
243 HB2 ASP 30 HB2 ASP 30 9.566 2.649 2.675
244 HB3 ASP 30 HB1 ASP 30 9.403 1.211 1.670
245 H LEU 31 HN LEU 31 9.202 1.746 -1.154
246 HA LEU 31 HA LEU 31 11.009 -0.198 -2.068
247 HB2 LEU 31 HB2 LEU 31 8.568 -0.125 -2.568
248 HB3 LEU 31 HB1 LEU 31 8.866 1.227 -3.643
249 HG LEU 31 HG LEU 31 10.327 -0.259 -5.017
250 HD11 LEU 31 HD11 LEU 31 9.231 -2.358 -3.158
251 HD12 LEU 31 HD12 LEU 31 10.923 -1.902 -3.367
252 HD13 LEU 31 HD13 LEU 31 10.053 -2.696 -4.682
253 HD21 LEU 31 HD21 LEU 31 8.018 0.187 -5.644
254 HD22 LEU 31 HD22 LEU 31 7.473 -1.150 -4.631
255 HD23 LEU 31 HD23 LEU 31 8.471 -1.468 -6.050
256 H ALA 32 HN ALA 32 10.489 3.151 -3.024
257 HA ALA 32 HA ALA 32 12.182 3.168 -5.272
258 HB1 ALA 32 HB1 ALA 32 11.418 5.451 -3.465
259 HB2 ALA 32 HB2 ALA 32 10.486 4.878 -4.848
260 HB3 ALA 32 HB3 ALA 32 12.082 5.592 -5.094
261 H ASP 33 HN ASP 33 12.785 3.545 -1.862
262 HA ASP 33 HA ASP 33 15.520 4.401 -2.248
263 HB2 ASP 33 HB2 ASP 33 14.322 5.264 -0.325
264 HB3 ASP 33 HB1 ASP 33 13.985 3.632 0.241
265 HA 4PH 34 HA 4PH 34 16.027 -0.137 -1.060
266 HB2 4PH 34 HB1 4PH 34 13.498 -1.056 -2.437
267 HB3 4PH 34 HB2 4PH 34 13.606 -0.727 -0.715
268 HD2 4PH 34 HD2 4PH 34 13.728 -3.247 -3.116
269 HD1 4PH 34 HD1 4PH 34 15.596 -1.994 0.496
270 HE2 4PH 34 HE2 4PH 34 14.452 -5.557 -2.695
271 HE1 4PH 34 HE1 4PH 34 16.322 -4.303 0.929
272 H33 4PH 34 H33 4PH 34 15.080 -6.892 -0.043
273 H33A 4PH 34 H33A 4PH 34 15.995 -6.890 -1.553
274 H33B 4PH 34 H33B 4PH 34 16.759 -6.362 -0.049
275 H 4PH 34 HN 4PH 34 13.821 1.447 -1.970
276 HN1 NH2 35 HN1 NH2 35 17.514 -1.173 -2.245
277 HN2 NH2 35 HN2 NH2 35 17.602 -1.157 -3.971
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 14.579 -3.551 6.220
2 H2 ACE 0 HA2 ACE 0 13.434 -2.461 6.996
3 H3 ACE 0 HA3 ACE 0 13.171 -2.916 5.315
4 HA PRO 1 HA PRO 1 12.806 -4.855 3.931
5 HB2 PRO 1 HB2 PRO 1 11.562 -7.318 3.566
6 HB3 PRO 1 HB1 PRO 1 13.313 -7.040 3.461
7 HG2 PRO 1 HG2 PRO 1 11.705 -8.121 5.716
8 HG3 PRO 1 HG1 PRO 1 13.316 -8.597 5.137
9 HD2 PRO 1 HD2 PRO 1 13.013 -7.082 7.333
10 HD3 PRO 1 HD1 PRO 1 14.376 -6.841 6.217
11 HA PRO 2 HA PRO 2 8.575 -3.487 4.596
12 HB2 PRO 2 HB2 PRO 2 8.331 -2.156 2.214
13 HB3 PRO 2 HB1 PRO 2 9.168 -1.475 3.625
14 HG2 PRO 2 HG2 PRO 2 10.299 -2.742 1.190
15 HG3 PRO 2 HG1 PRO 2 10.881 -1.347 2.121
16 HD2 PRO 2 HD2 PRO 2 11.961 -3.846 2.325
17 HD3 PRO 2 HD1 PRO 2 11.981 -2.661 3.645
18 H THR 3 HN THR 3 6.988 -4.928 4.369
19 HA THR 3 HA THR 3 6.859 -6.642 2.037
20 HB THR 3 HB THR 3 4.783 -7.514 3.358
21 HG1 THR 3 HG1 THR 3 5.145 -7.111 5.668
22 HG21 THR 3 HG21 THR 3 6.856 -8.770 3.085
23 HG22 THR 3 HG22 THR 3 6.235 -8.944 4.726
24 HG23 THR 3 HG23 THR 3 7.593 -7.866 4.407
25 H LYS 4 HN LYS 4 5.020 -6.829 0.708
26 HA LYS 4 HA LYS 4 3.708 -4.291 0.261
27 HB2 LYS 4 HB2 LYS 4 2.916 -5.249 -1.823
28 HB3 LYS 4 HB1 LYS 4 4.632 -5.585 -1.639
29 HG2 LYS 4 HG2 LYS 4 4.170 -7.848 -0.986
30 HG3 LYS 4 HG1 LYS 4 2.434 -7.528 -1.005
31 HD2 LYS 4 HD2 LYS 4 3.077 -8.691 -3.032
32 HD3 LYS 4 HD1 LYS 4 2.588 -7.042 -3.423
33 HE2 LYS 4 HE2 LYS 4 4.947 -6.375 -3.500
34 HE3 LYS 4 HE1 LYS 4 5.419 -8.031 -3.131
35 HZ1 LYS 4 HZ1 LYS 4 3.919 -7.161 -5.537
36 HZ2 LYS 4 HZ2 LYS 4 4.394 -8.745 -5.191
37 HZ3 LYS 4 HZ3 LYS 4 5.562 -7.561 -5.495
38 HA PRO 5 HA PRO 5 -0.122 -5.423 2.206
39 HB2 PRO 5 HB2 PRO 5 -1.750 -3.636 0.967
40 HB3 PRO 5 HB1 PRO 5 -0.591 -3.156 2.221
41 HG2 PRO 5 HG2 PRO 5 -0.353 -2.946 -0.741
42 HG3 PRO 5 HG1 PRO 5 0.096 -1.775 0.516
43 HD2 PRO 5 HD2 PRO 5 1.901 -3.375 -0.715
44 HD3 PRO 5 HD1 PRO 5 2.090 -2.824 0.966
45 H THR 6 HN THR 6 -2.138 -6.387 1.733
46 HA THR 6 HA THR 6 -2.245 -7.823 -0.768
47 HB THR 6 HB THR 6 -2.851 -8.973 1.309
48 HG1 THR 6 HG1 THR 6 -3.903 -9.561 -0.706
49 HG21 THR 6 HG21 THR 6 -3.790 -7.118 2.562
50 HG22 THR 6 HG22 THR 6 -4.954 -8.438 2.468
51 HG23 THR 6 HG23 THR 6 -5.143 -7.020 1.437
52 H LYS 7 HN LYS 7 -4.019 -7.765 -2.214
53 HA LYS 7 HA LYS 7 -4.937 -5.116 -2.773
54 HB2 LYS 7 HB2 LYS 7 -5.427 -7.795 -4.057
55 HB3 LYS 7 HB1 LYS 7 -6.306 -6.369 -4.575
56 HG2 LYS 7 HG2 LYS 7 -4.469 -6.733 -6.056
57 HG3 LYS 7 HG1 LYS 7 -4.144 -5.283 -5.112
58 HD2 LYS 7 HD2 LYS 7 -2.644 -6.537 -3.665
59 HD3 LYS 7 HD1 LYS 7 -3.025 -8.027 -4.539
60 HE2 LYS 7 HE2 LYS 7 -0.891 -7.110 -5.271
61 HE3 LYS 7 HE1 LYS 7 -2.071 -7.078 -6.577
62 HZ1 LYS 7 HZ1 LYS 7 -1.277 -4.772 -4.884
63 HZ2 LYS 7 HZ2 LYS 7 -2.456 -4.728 -6.096
64 HZ3 LYS 7 HZ3 LYS 7 -0.844 -5.024 -6.497
65 HA PRO 8 HA PRO 8 -8.639 -5.276 -0.242
66 HB2 PRO 8 HB2 PRO 8 -9.433 -3.085 -2.097
67 HB3 PRO 8 HB1 PRO 8 -9.400 -3.106 -0.320
68 HG2 PRO 8 HG2 PRO 8 -7.582 -1.760 -1.694
69 HG3 PRO 8 HG1 PRO 8 -7.140 -2.649 -0.221
70 HD2 PRO 8 HD2 PRO 8 -6.679 -3.386 -3.083
71 HD3 PRO 8 HD1 PRO 8 -5.626 -3.621 -1.667
72 H GLY 9 HN GLY 9 -10.228 -6.688 -0.547
73 HA2 GLY 9 HA2 GLY 9 -11.166 -7.198 -3.288
74 HA3 GLY 9 HA1 GLY 9 -11.332 -8.301 -1.930
75 H ASP 10 HN ASP 10 -12.734 -7.487 -0.125
76 HA ASP 10 HA ASP 10 -15.136 -6.254 -1.255
77 HB2 ASP 10 HB2 ASP 10 -14.689 -7.727 1.349
78 HB3 ASP 10 HB1 ASP 10 -16.216 -6.996 0.874
79 H ASN 11 HN ASN 11 -12.482 -5.618 0.768
80 HA ASN 11 HA ASN 11 -13.748 -3.371 2.094
81 HB2 ASN 11 HB2 ASN 11 -11.644 -3.082 3.282
82 HB3 ASN 11 HB1 ASN 11 -12.150 -4.763 3.362
83 HD21 ASN 11 HD21 ASN 11 -9.505 -3.537 3.667
84 HD22 ASN 11 HD22 ASN 11 -8.489 -4.328 2.520
85 H ALA 12 HN ALA 12 -12.953 -3.721 -0.901
86 HA ALA 12 HA ALA 12 -11.125 -1.574 -1.393
87 HB1 ALA 12 HB1 ALA 12 -11.336 -3.526 -2.883
88 HB2 ALA 12 HB2 ALA 12 -11.554 -1.993 -3.729
89 HB3 ALA 12 HB3 ALA 12 -12.954 -2.985 -3.324
90 H THR 13 HN THR 13 -13.686 -1.057 0.085
91 HA THR 13 HA THR 13 -15.381 0.558 -1.479
92 HB THR 13 HB THR 13 -15.946 1.596 0.790
93 HG1 THR 13 HG1 THR 13 -14.740 1.043 2.439
94 HG21 THR 13 HG21 THR 13 -16.147 -1.399 0.487
95 HG22 THR 13 HG22 THR 13 -17.246 -0.214 -0.219
96 HG23 THR 13 HG23 THR 13 -17.150 -0.394 1.532
97 HA PRO 14 HA PRO 14 -13.145 4.163 -2.595
98 HB2 PRO 14 HB2 PRO 14 -15.384 5.581 -1.187
99 HB3 PRO 14 HB1 PRO 14 -14.678 5.903 -2.782
100 HG2 PRO 14 HG2 PRO 14 -16.988 4.607 -2.518
101 HG3 PRO 14 HG1 PRO 14 -15.822 4.213 -3.801
102 HD2 PRO 14 HD2 PRO 14 -16.561 2.649 -1.415
103 HD3 PRO 14 HD1 PRO 14 -15.794 2.114 -2.919
104 H GLU 15 HN GLU 15 -14.461 4.195 0.727
105 HA GLU 15 HA GLU 15 -12.705 6.188 1.693
106 HB2 GLU 15 HB2 GLU 15 -14.273 4.033 3.093
107 HB3 GLU 15 HB1 GLU 15 -13.292 5.201 3.964
108 HG2 GLU 15 HG2 GLU 15 -14.637 7.015 3.100
109 HG3 GLU 15 HG1 GLU 15 -15.574 5.881 2.130
110 H LYS 16 HN LYS 16 -12.549 2.644 1.952
111 HA LYS 16 HA LYS 16 -10.023 2.719 3.303
112 HB2 LYS 16 HB2 LYS 16 -11.543 0.909 3.793
113 HB3 LYS 16 HB1 LYS 16 -11.609 0.442 2.096
114 HG2 LYS 16 HG2 LYS 16 -10.229 -1.104 3.318
115 HG3 LYS 16 HG1 LYS 16 -9.230 -0.180 2.199
116 HD2 LYS 16 HD2 LYS 16 -8.504 1.263 4.034
117 HD3 LYS 16 HD1 LYS 16 -9.520 0.354 5.155
118 HE2 LYS 16 HE2 LYS 16 -8.227 -1.669 4.681
119 HE3 LYS 16 HE1 LYS 16 -7.216 -0.762 3.560
120 HZ1 LYS 16 HZ1 LYS 16 -7.464 -0.182 6.462
121 HZ2 LYS 16 HZ2 LYS 16 -6.421 0.578 5.370
122 HZ3 LYS 16 HZ3 LYS 16 -6.198 -1.049 5.755
123 H LEU 17 HN LEU 17 -11.133 2.298 0.018
124 HA LEU 17 HA LEU 17 -8.718 1.356 -1.102
125 HB2 LEU 17 HB2 LEU 17 -10.991 1.278 -2.156
126 HB3 LEU 17 HB1 LEU 17 -10.854 3.000 -2.446
127 HG LEU 17 HG LEU 17 -8.941 2.606 -3.930
128 HD11 LEU 17 HD11 LEU 17 -8.387 0.302 -4.594
129 HD12 LEU 17 HD12 LEU 17 -9.472 -0.304 -3.342
130 HD13 LEU 17 HD13 LEU 17 -8.032 0.608 -2.896
131 HD21 LEU 17 HD21 LEU 17 -10.180 1.534 -5.734
132 HD22 LEU 17 HD22 LEU 17 -11.214 2.642 -4.830
133 HD23 LEU 17 HD23 LEU 17 -11.342 0.902 -4.566
134 H ALA 18 HN ALA 18 -9.947 4.531 -0.355
135 HA ALA 18 HA ALA 18 -7.931 6.008 -1.709
136 HB1 ALA 18 HB1 ALA 18 -8.766 7.910 -0.424
137 HB2 ALA 18 HB2 ALA 18 -9.722 6.814 0.574
138 HB3 ALA 18 HB3 ALA 18 -10.085 6.987 -1.142
139 H LYS 19 HN LYS 19 -8.379 4.946 1.647
140 HA LYS 19 HA LYS 19 -5.970 6.059 2.628
141 HB2 LYS 19 HB2 LYS 19 -7.869 5.271 4.057
142 HB3 LYS 19 HB1 LYS 19 -7.406 3.615 3.682
143 HG2 LYS 19 HG2 LYS 19 -5.217 4.000 4.699
144 HG3 LYS 19 HG1 LYS 19 -5.695 5.651 5.094
145 HD2 LYS 19 HD2 LYS 19 -7.554 4.738 6.455
146 HD3 LYS 19 HD1 LYS 19 -6.951 3.111 6.128
147 HE2 LYS 19 HE2 LYS 19 -6.166 3.862 8.292
148 HE3 LYS 19 HE1 LYS 19 -4.809 3.720 7.177
149 HZ1 LYS 19 HZ1 LYS 19 -6.191 6.241 7.919
150 HZ2 LYS 19 HZ2 LYS 19 -4.909 6.115 6.827
151 HZ3 LYS 19 HZ3 LYS 19 -4.664 5.750 8.458
152 HA 4PH 20 HA 4PH 20 -4.406 1.637 1.394
153 HB2 4PH 20 HB1 4PH 20 -6.256 1.690 -1.000
154 HB3 4PH 20 HB2 4PH 20 -6.483 0.698 0.430
155 HD2 4PH 20 HD2 4PH 20 -5.077 0.860 -2.812
156 HD1 4PH 20 HD1 4PH 20 -4.650 -0.996 0.988
157 HE2 4PH 20 HE2 4PH 20 -3.790 -0.961 -3.850
158 HE1 4PH 20 HE1 4PH 20 -3.367 -2.821 -0.036
159 H33 4PH 20 H33 4PH 20 -2.926 -3.942 -2.032
160 H33A 4PH 20 H33A 4PH 20 -3.085 -3.164 -3.611
161 H33B 4PH 20 H33B 4PH 20 -1.718 -2.773 -2.559
162 H 4PH 20 HN 4PH 20 -6.791 3.042 1.077
163 H GLN 21 HN GLN 21 -5.364 3.998 -1.090
164 HA GLN 21 HA GLN 21 -2.998 4.020 -2.567
165 HB2 GLN 21 HB2 GLN 21 -5.019 6.192 -2.024
166 HB3 GLN 21 HB1 GLN 21 -3.670 6.405 -3.132
167 HG2 GLN 21 HG2 GLN 21 -5.759 4.259 -3.384
168 HG3 GLN 21 HG1 GLN 21 -5.790 5.802 -4.244
169 HE21 GLN 21 HE21 GLN 21 -4.243 2.701 -3.976
170 HE22 GLN 21 HE22 GLN 21 -3.348 2.800 -5.447
171 H ALA 22 HN ALA 22 -3.828 5.669 0.422
172 HA ALA 22 HA ALA 22 -1.581 7.396 0.487
173 HB1 ALA 22 HB1 ALA 22 -3.609 7.838 1.768
174 HB2 ALA 22 HB2 ALA 22 -2.193 7.775 2.817
175 HB3 ALA 22 HB3 ALA 22 -3.304 6.405 2.750
176 H ASP 23 HN ASP 23 -2.246 4.215 1.905
177 HA ASP 23 HA ASP 23 0.286 4.040 3.220
178 HB2 ASP 23 HB2 ASP 23 -1.790 2.724 3.864
179 HB3 ASP 23 HB1 ASP 23 -1.473 1.706 2.463
180 H LEU 24 HN LEU 24 -0.967 3.002 0.101
181 HA LEU 24 HA LEU 24 1.338 1.585 -0.715
182 HB2 LEU 24 HB2 LEU 24 -0.996 2.778 -2.123
183 HB3 LEU 24 HB1 LEU 24 0.412 2.345 -3.078
184 HG LEU 24 HG LEU 24 -1.447 0.616 -2.928
185 HD11 LEU 24 HD11 LEU 24 0.804 0.086 -3.718
186 HD12 LEU 24 HD12 LEU 24 0.119 -1.251 -2.792
187 HD13 LEU 24 HD13 LEU 24 1.324 -0.194 -2.057
188 HD21 LEU 24 HD21 LEU 24 -0.291 0.249 -0.169
189 HD22 LEU 24 HD22 LEU 24 -1.467 -0.807 -0.954
190 HD23 LEU 24 HD23 LEU 24 -1.906 0.851 -0.541
191 H ALA 25 HN ALA 25 0.495 4.979 -0.750
192 HA ALA 25 HA ALA 25 2.658 5.875 -2.329
193 HB1 ALA 25 HB1 ALA 25 1.234 7.311 -0.088
194 HB2 ALA 25 HB2 ALA 25 0.740 7.295 -1.780
195 HB3 ALA 25 HB3 ALA 25 2.260 8.059 -1.313
196 H LYS 26 HN LYS 26 2.340 5.029 1.054
197 HA LYS 26 HA LYS 26 4.941 5.854 1.841
198 HB2 LYS 26 HB2 LYS 26 3.034 3.819 3.004
199 HB3 LYS 26 HB1 LYS 26 4.566 4.245 3.744
200 HG2 LYS 26 HG2 LYS 26 3.845 6.409 4.265
201 HG3 LYS 26 HG1 LYS 26 2.483 6.313 3.146
202 HD2 LYS 26 HD2 LYS 26 1.831 6.101 5.541
203 HD3 LYS 26 HD1 LYS 26 1.362 4.722 4.553
204 HE2 LYS 26 HE2 LYS 26 3.533 3.636 5.336
205 HE3 LYS 26 HE1 LYS 26 3.596 4.917 6.545
206 HZ1 LYS 26 HZ1 LYS 26 2.553 2.909 7.403
207 HZ2 LYS 26 HZ2 LYS 26 1.365 2.984 6.195
208 HZ3 LYS 26 HZ3 LYS 26 1.452 4.195 7.376
209 HA 4PH 27 HA 4PH 27 5.855 1.213 1.195
210 HB2 4PH 27 HB1 4PH 27 3.351 0.798 -0.438
211 HB3 4PH 27 HB2 4PH 27 3.757 0.076 1.111
212 HD2 4PH 27 HD2 4PH 27 3.572 -0.484 -2.316
213 HD1 4PH 27 HD1 4PH 27 5.980 -1.394 1.071
214 HE2 4PH 27 HE2 4PH 27 4.488 -2.428 -3.499
215 HE1 4PH 27 HE1 4PH 27 6.897 -3.351 -0.105
216 H33 4PH 27 H33 4PH 27 6.543 -4.867 -1.845
217 H33A 4PH 27 H33A 4PH 27 5.567 -4.470 -3.261
218 H33B 4PH 27 H33B 4PH 27 7.182 -3.781 -3.071
219 H 4PH 27 HN 4PH 27 3.529 2.750 0.899
220 H GLN 28 HN GLN 28 4.468 2.714 -1.748
221 HA GLN 28 HA GLN 28 6.420 1.638 -3.476
222 HB2 GLN 28 HB2 GLN 28 4.588 4.013 -3.770
223 HB3 GLN 28 HB1 GLN 28 5.693 3.505 -5.042
224 HG2 GLN 28 HG2 GLN 28 4.593 1.268 -5.013
225 HG3 GLN 28 HG1 GLN 28 3.418 1.913 -3.868
226 HE21 GLN 28 HE21 GLN 28 1.909 3.424 -4.575
227 HE22 GLN 28 HE22 GLN 28 1.586 3.681 -6.250
228 H LYS 29 HN LYS 29 6.249 4.775 -1.834
229 HA LYS 29 HA LYS 29 8.571 5.864 -3.000
230 HB2 LYS 29 HB2 LYS 29 6.946 7.264 -1.842
231 HB3 LYS 29 HB1 LYS 29 7.283 6.445 -0.325
232 HG2 LYS 29 HG2 LYS 29 9.592 7.298 -0.407
233 HG3 LYS 29 HG1 LYS 29 9.191 8.173 -1.885
234 HD2 LYS 29 HD2 LYS 29 7.521 9.470 -0.696
235 HD3 LYS 29 HD1 LYS 29 7.831 8.555 0.781
236 HE2 LYS 29 HE2 LYS 29 9.803 10.323 -0.665
237 HE3 LYS 29 HE1 LYS 29 8.954 10.723 0.828
238 HZ1 LYS 29 HZ1 LYS 29 11.181 9.961 1.298
239 HZ2 LYS 29 HZ2 LYS 29 10.912 8.517 0.468
240 HZ3 LYS 29 HZ3 LYS 29 10.070 8.838 1.895
241 H ASP 30 HN ASP 30 8.050 3.988 -0.055
242 HA ASP 30 HA ASP 30 10.773 4.204 0.804
243 HB2 ASP 30 HB2 ASP 30 8.977 3.869 2.435
244 HB3 ASP 30 HB1 ASP 30 8.589 2.310 1.713
245 H LEU 31 HN LEU 31 8.878 1.758 -0.900
246 HA LEU 31 HA LEU 31 10.781 -0.294 -0.927
247 HB2 LEU 31 HB2 LEU 31 8.280 -0.224 -1.697
248 HB3 LEU 31 HB1 LEU 31 8.952 0.236 -3.246
249 HG LEU 31 HG LEU 31 8.407 -2.171 -3.074
250 HD11 LEU 31 HD11 LEU 31 10.507 -3.028 -3.979
251 HD12 LEU 31 HD12 LEU 31 11.334 -1.571 -3.427
252 HD13 LEU 31 HD13 LEU 31 10.086 -1.460 -4.668
253 HD21 LEU 31 HD21 LEU 31 10.682 -2.299 -1.114
254 HD22 LEU 31 HD22 LEU 31 9.688 -3.637 -1.691
255 HD23 LEU 31 HD23 LEU 31 8.975 -2.381 -0.677
256 H ALA 32 HN ALA 32 10.233 2.421 -3.113
257 HA ALA 32 HA ALA 32 12.157 1.764 -5.041
258 HB1 ALA 32 HB1 ALA 32 11.161 4.488 -4.226
259 HB2 ALA 32 HB2 ALA 32 10.397 3.417 -5.401
260 HB3 ALA 32 HB3 ALA 32 11.992 4.095 -5.732
261 H ASP 33 HN ASP 33 12.393 3.416 -1.965
262 HA ASP 33 HA ASP 33 15.122 4.237 -2.351
263 HB2 ASP 33 HB2 ASP 33 13.618 5.499 -0.861
264 HB3 ASP 33 HB1 ASP 33 13.483 4.096 0.192
265 HA 4PH 34 HA 4PH 34 15.676 0.441 0.519
266 HB2 4PH 34 HB1 4PH 34 13.147 -0.890 -0.470
267 HB3 4PH 34 HB2 4PH 34 13.337 -0.105 1.092
268 HD2 4PH 34 HD2 4PH 34 15.034 -1.046 2.707
269 HD1 4PH 34 HD1 4PH 34 13.713 -3.149 -0.750
270 HE2 4PH 34 HE2 4PH 34 15.812 -3.157 3.700
271 HE1 4PH 34 HE1 4PH 34 14.486 -5.263 0.236
272 H33 4PH 34 H33 4PH 34 15.567 -5.476 3.661
273 H33A 4PH 34 H33A 4PH 34 15.027 -6.348 2.225
274 H33B 4PH 34 H33B 4PH 34 16.668 -5.696 2.305
275 H 4PH 34 HN 4PH 34 13.450 1.593 -0.757
276 HN1 NH2 35 HN1 NH2 35 14.102 -0.329 -2.559
277 HN2 NH2 35 HN2 NH2 35 15.454 -1.160 -3.249
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 14.063 -3.884 3.476
2 H2 ACE 0 HA2 ACE 0 15.086 -5.034 4.332
3 H3 ACE 0 HA3 ACE 0 14.670 -3.514 5.119
4 HA PRO 1 HA PRO 1 12.843 -5.890 2.439
5 HB2 PRO 1 HB2 PRO 1 10.996 -7.944 2.540
6 HB3 PRO 1 HB1 PRO 1 12.755 -8.192 2.482
7 HG2 PRO 1 HG2 PRO 1 10.913 -8.261 4.818
8 HG3 PRO 1 HG1 PRO 1 12.300 -9.305 4.433
9 HD2 PRO 1 HD2 PRO 1 12.481 -7.319 6.246
10 HD3 PRO 1 HD1 PRO 1 13.849 -7.763 5.201
11 HA PRO 2 HA PRO 2 9.264 -3.243 2.759
12 HB2 PRO 2 HB2 PRO 2 9.073 -2.635 0.095
13 HB3 PRO 2 HB1 PRO 2 10.281 -1.900 1.173
14 HG2 PRO 2 HG2 PRO 2 10.596 -4.126 -0.773
15 HG3 PRO 2 HG1 PRO 2 11.692 -2.783 -0.400
16 HD2 PRO 2 HD2 PRO 2 12.052 -5.294 0.573
17 HD3 PRO 2 HD1 PRO 2 12.577 -3.837 1.439
18 H THR 3 HN THR 3 7.411 -4.325 3.192
19 HA THR 3 HA THR 3 6.450 -6.292 1.269
20 HB THR 3 HB THR 3 4.679 -6.654 3.126
21 HG1 THR 3 HG1 THR 3 6.660 -5.682 4.862
22 HG21 THR 3 HG21 THR 3 7.580 -7.363 3.557
23 HG22 THR 3 HG22 THR 3 6.416 -8.265 2.588
24 HG23 THR 3 HG23 THR 3 6.209 -8.150 4.336
25 H LYS 4 HN LYS 4 4.814 -5.957 -0.047
26 HA LYS 4 HA LYS 4 3.591 -3.378 -0.210
27 HB2 LYS 4 HB2 LYS 4 2.418 -4.233 -2.149
28 HB3 LYS 4 HB1 LYS 4 4.084 -4.791 -2.215
29 HG2 LYS 4 HG2 LYS 4 3.346 -6.963 -1.306
30 HG3 LYS 4 HG1 LYS 4 1.679 -6.388 -1.377
31 HD2 LYS 4 HD2 LYS 4 1.848 -6.123 -3.784
32 HD3 LYS 4 HD1 LYS 4 3.548 -6.596 -3.738
33 HE2 LYS 4 HE2 LYS 4 2.894 -8.800 -2.877
34 HE3 LYS 4 HE1 LYS 4 1.198 -8.324 -2.973
35 HZ1 LYS 4 HZ1 LYS 4 1.427 -8.084 -5.352
36 HZ2 LYS 4 HZ2 LYS 4 1.891 -9.640 -4.885
37 HZ3 LYS 4 HZ3 LYS 4 3.065 -8.492 -5.275
38 HA PRO 5 HA PRO 5 0.056 -4.057 2.373
39 HB2 PRO 5 HB2 PRO 5 -1.743 -2.412 1.160
40 HB3 PRO 5 HB1 PRO 5 -0.400 -1.804 2.140
41 HG2 PRO 5 HG2 PRO 5 -0.606 -2.027 -0.825
42 HG3 PRO 5 HG1 PRO 5 0.013 -0.690 0.168
43 HD2 PRO 5 HD2 PRO 5 1.657 -2.442 -1.039
44 HD3 PRO 5 HD1 PRO 5 2.041 -1.725 0.544
45 H THR 6 HN THR 6 -2.112 -4.924 2.340
46 HA THR 6 HA THR 6 -2.373 -7.009 0.429
47 HB THR 6 HB THR 6 -3.089 -7.345 2.745
48 HG1 THR 6 HG1 THR 6 -4.145 -8.437 0.874
49 HG21 THR 6 HG21 THR 6 -5.282 -5.367 2.110
50 HG22 THR 6 HG22 THR 6 -3.952 -5.121 3.242
51 HG23 THR 6 HG23 THR 6 -5.175 -6.347 3.574
52 H LYS 7 HN LYS 7 -3.614 -7.194 -1.311
53 HA LYS 7 HA LYS 7 -4.735 -4.919 -2.567
54 HB2 LYS 7 HB2 LYS 7 -5.137 -7.856 -3.172
55 HB3 LYS 7 HB1 LYS 7 -5.564 -6.531 -4.241
56 HG2 LYS 7 HG2 LYS 7 -2.769 -7.172 -3.323
57 HG3 LYS 7 HG1 LYS 7 -3.466 -7.643 -4.872
58 HD2 LYS 7 HD2 LYS 7 -3.872 -5.209 -5.321
59 HD3 LYS 7 HD1 LYS 7 -2.938 -4.856 -3.864
60 HE2 LYS 7 HE2 LYS 7 -1.513 -4.659 -5.799
61 HE3 LYS 7 HE1 LYS 7 -1.017 -6.053 -4.840
62 HZ1 LYS 7 HZ1 LYS 7 -2.749 -6.209 -7.246
63 HZ2 LYS 7 HZ2 LYS 7 -2.096 -7.509 -6.383
64 HZ3 LYS 7 HZ3 LYS 7 -1.079 -6.477 -7.254
65 HA PRO 8 HA PRO 8 -8.626 -5.093 -0.286
66 HB2 PRO 8 HB2 PRO 8 -9.369 -2.868 -2.074
67 HB3 PRO 8 HB1 PRO 8 -9.271 -2.904 -0.301
68 HG2 PRO 8 HG2 PRO 8 -7.505 -1.555 -1.775
69 HG3 PRO 8 HG1 PRO 8 -7.035 -2.384 -0.275
70 HD2 PRO 8 HD2 PRO 8 -6.636 -3.257 -3.116
71 HD3 PRO 8 HD1 PRO 8 -5.522 -3.365 -1.732
72 H GLY 9 HN GLY 9 -9.954 -6.685 -0.835
73 HA2 GLY 9 HA2 GLY 9 -10.962 -6.823 -3.594
74 HA3 GLY 9 HA1 GLY 9 -11.020 -8.130 -2.419
75 H ASP 10 HN ASP 10 -12.353 -7.657 -0.452
76 HA ASP 10 HA ASP 10 -14.911 -6.526 -1.300
77 HB2 ASP 10 HB2 ASP 10 -14.982 -8.750 -0.312
78 HB3 ASP 10 HB1 ASP 10 -14.159 -8.167 1.131
79 H ASN 11 HN ASN 11 -12.235 -5.880 0.755
80 HA ASN 11 HA ASN 11 -13.599 -3.831 2.279
81 HB2 ASN 11 HB2 ASN 11 -11.402 -3.431 3.321
82 HB3 ASN 11 HB1 ASN 11 -11.854 -5.128 3.393
83 HD21 ASN 11 HD21 ASN 11 -9.223 -3.846 3.549
84 HD22 ASN 11 HD22 ASN 11 -8.275 -4.571 2.302
85 H ALA 12 HN ALA 12 -12.957 -3.870 -0.768
86 HA ALA 12 HA ALA 12 -11.250 -1.606 -1.177
87 HB1 ALA 12 HB1 ALA 12 -11.350 -3.462 -2.768
88 HB2 ALA 12 HB2 ALA 12 -11.743 -1.919 -3.531
89 HB3 ALA 12 HB3 ALA 12 -13.030 -3.055 -3.123
90 H THR 13 HN THR 13 -13.883 -1.352 0.326
91 HA THR 13 HA THR 13 -15.660 0.273 -1.083
92 HB THR 13 HB THR 13 -16.056 1.289 1.276
93 HG1 THR 13 HG1 THR 13 -13.854 0.211 1.847
94 HG21 THR 13 HG21 THR 13 -16.438 -1.660 0.755
95 HG22 THR 13 HG22 THR 13 -17.514 -0.368 0.228
96 HG23 THR 13 HG23 THR 13 -17.318 -0.704 1.947
97 HA PRO 14 HA PRO 14 -13.714 3.890 -2.456
98 HB2 PRO 14 HB2 PRO 14 -15.816 5.260 -0.805
99 HB3 PRO 14 HB1 PRO 14 -15.295 5.605 -2.464
100 HG2 PRO 14 HG2 PRO 14 -17.516 4.233 -1.974
101 HG3 PRO 14 HG1 PRO 14 -16.467 3.857 -3.360
102 HD2 PRO 14 HD2 PRO 14 -16.925 2.305 -0.899
103 HD3 PRO 14 HD1 PRO 14 -16.273 1.775 -2.459
104 H GLU 15 HN GLU 15 -14.719 4.225 0.968
105 HA GLU 15 HA GLU 15 -12.896 6.318 1.506
106 HB2 GLU 15 HB2 GLU 15 -14.328 4.421 3.361
107 HB3 GLU 15 HB1 GLU 15 -13.403 5.813 3.906
108 HG2 GLU 15 HG2 GLU 15 -14.899 7.303 2.739
109 HG3 GLU 15 HG1 GLU 15 -15.777 5.933 2.068
110 H LYS 16 HN LYS 16 -12.731 2.835 2.088
111 HA LYS 16 HA LYS 16 -10.142 2.971 3.308
112 HB2 LYS 16 HB2 LYS 16 -11.686 1.172 3.903
113 HB3 LYS 16 HB1 LYS 16 -11.706 0.608 2.234
114 HG2 LYS 16 HG2 LYS 16 -10.295 -0.826 3.542
115 HG3 LYS 16 HG1 LYS 16 -9.298 0.096 2.418
116 HD2 LYS 16 HD2 LYS 16 -8.715 1.654 4.224
117 HD3 LYS 16 HD1 LYS 16 -9.699 0.711 5.346
118 HE2 LYS 16 HE2 LYS 16 -8.261 -1.256 4.865
119 HE3 LYS 16 HE1 LYS 16 -7.236 -0.219 3.874
120 HZ1 LYS 16 HZ1 LYS 16 -6.737 1.110 5.814
121 HZ2 LYS 16 HZ2 LYS 16 -6.367 -0.510 6.121
122 HZ3 LYS 16 HZ3 LYS 16 -7.768 0.170 6.770
123 H LEU 17 HN LEU 17 -11.420 2.461 0.104
124 HA LEU 17 HA LEU 17 -9.089 1.423 -1.102
125 HB2 LEU 17 HB2 LEU 17 -11.396 1.329 -2.045
126 HB3 LEU 17 HB1 LEU 17 -11.283 3.046 -2.379
127 HG LEU 17 HG LEU 17 -9.460 2.639 -3.957
128 HD11 LEU 17 HD11 LEU 17 -8.442 0.698 -2.936
129 HD12 LEU 17 HD12 LEU 17 -8.911 0.316 -4.592
130 HD13 LEU 17 HD13 LEU 17 -9.888 -0.259 -3.241
131 HD21 LEU 17 HD21 LEU 17 -10.770 1.475 -5.660
132 HD22 LEU 17 HD22 LEU 17 -11.767 2.611 -4.748
133 HD23 LEU 17 HD23 LEU 17 -11.865 0.882 -4.409
134 H ALA 18 HN ALA 18 -10.292 4.676 -0.575
135 HA ALA 18 HA ALA 18 -8.244 6.024 -1.997
136 HB1 ALA 18 HB1 ALA 18 -10.385 7.071 -1.456
137 HB2 ALA 18 HB2 ALA 18 -9.034 8.019 -0.836
138 HB3 ALA 18 HB3 ALA 18 -9.982 7.010 0.258
139 H LYS 19 HN LYS 19 -8.704 5.171 1.405
140 HA LYS 19 HA LYS 19 -6.327 6.277 2.402
141 HB2 LYS 19 HB2 LYS 19 -8.201 5.487 3.821
142 HB3 LYS 19 HB1 LYS 19 -7.808 3.829 3.391
143 HG2 LYS 19 HG2 LYS 19 -6.928 4.316 5.571
144 HG3 LYS 19 HG1 LYS 19 -5.593 4.109 4.437
145 HD2 LYS 19 HD2 LYS 19 -5.105 5.991 5.834
146 HD3 LYS 19 HD1 LYS 19 -5.482 6.590 4.220
147 HE2 LYS 19 HE2 LYS 19 -7.821 7.005 5.024
148 HE3 LYS 19 HE1 LYS 19 -7.266 6.608 6.648
149 HZ1 LYS 19 HZ1 LYS 19 -5.689 8.431 6.517
150 HZ2 LYS 19 HZ2 LYS 19 -7.262 8.991 6.263
151 HZ3 LYS 19 HZ3 LYS 19 -6.212 8.805 4.953
152 HA 4PH 20 HA 4PH 20 -4.620 1.876 1.345
153 HB2 4PH 20 HB1 4PH 20 -6.615 1.656 -0.914
154 HB3 4PH 20 HB2 4PH 20 -6.569 0.679 0.545
155 HD2 4PH 20 HD2 4PH 20 -4.348 -0.663 0.915
156 HD1 4PH 20 HD1 4PH 20 -5.695 0.823 -2.832
157 HE2 4PH 20 HE2 4PH 20 -2.951 -2.319 -0.241
158 HE1 4PH 20 HE1 4PH 20 -4.294 -0.829 -3.998
159 H33 4PH 20 H33 4PH 20 -1.761 -2.176 -3.016
160 H33A 4PH 20 H33A 4PH 20 -2.648 -3.490 -2.232
161 H33B 4PH 20 H33B 4PH 20 -3.192 -2.849 -3.788
162 H 4PH 20 HN 4PH 20 -7.059 3.169 0.945
163 H GLN 21 HN GLN 21 -5.686 3.928 -1.376
164 HA GLN 21 HA GLN 21 -3.326 3.790 -2.875
165 HB2 GLN 21 HB2 GLN 21 -5.373 6.000 -2.649
166 HB3 GLN 21 HB1 GLN 21 -4.079 5.987 -3.840
167 HG2 GLN 21 HG2 GLN 21 -6.171 3.845 -3.578
168 HG3 GLN 21 HG1 GLN 21 -6.258 5.198 -4.706
169 HE21 GLN 21 HE21 GLN 21 -4.620 2.219 -3.923
170 HE22 GLN 21 HE22 GLN 21 -3.853 2.015 -5.453
171 H ALA 22 HN ALA 22 -4.158 5.711 -0.082
172 HA ALA 22 HA ALA 22 -1.849 7.401 -0.210
173 HB1 ALA 22 HB1 ALA 22 -2.528 8.126 2.012
174 HB2 ALA 22 HB2 ALA 22 -3.694 6.804 2.094
175 HB3 ALA 22 HB3 ALA 22 -3.909 8.094 0.913
176 H ASP 23 HN ASP 23 -2.684 4.352 1.270
177 HA ASP 23 HA ASP 23 -0.395 4.163 2.950
178 HB2 ASP 23 HB2 ASP 23 -2.412 2.849 3.410
179 HB3 ASP 23 HB1 ASP 23 -2.200 1.967 1.899
180 H LEU 24 HN LEU 24 -1.057 3.294 -0.379
181 HA LEU 24 HA LEU 24 1.221 1.779 -0.948
182 HB2 LEU 24 HB2 LEU 24 -0.553 3.550 -2.568
183 HB3 LEU 24 HB1 LEU 24 0.975 3.049 -3.268
184 HG LEU 24 HG LEU 24 -1.002 1.655 -3.920
185 HD11 LEU 24 HD11 LEU 24 0.153 -0.500 -3.617
186 HD12 LEU 24 HD12 LEU 24 1.259 0.276 -2.485
187 HD13 LEU 24 HD13 LEU 24 1.230 0.781 -4.174
188 HD21 LEU 24 HD21 LEU 24 -0.838 0.725 -1.064
189 HD22 LEU 24 HD22 LEU 24 -1.831 0.010 -2.334
190 HD23 LEU 24 HD23 LEU 24 -2.156 1.652 -1.777
191 H ALA 25 HN ALA 25 0.861 5.177 -0.356
192 HA ALA 25 HA ALA 25 3.207 6.126 -1.559
193 HB1 ALA 25 HB1 ALA 25 3.007 8.034 -0.057
194 HB2 ALA 25 HB2 ALA 25 1.841 7.148 0.925
195 HB3 ALA 25 HB3 ALA 25 1.440 7.595 -0.732
196 H LYS 26 HN LYS 26 2.659 4.525 1.525
197 HA LYS 26 HA LYS 26 5.232 4.979 2.620
198 HB2 LYS 26 HB2 LYS 26 3.399 2.616 3.076
199 HB3 LYS 26 HB1 LYS 26 4.749 3.080 4.088
200 HG2 LYS 26 HG2 LYS 26 3.539 5.211 4.581
201 HG3 LYS 26 HG1 LYS 26 2.152 4.543 3.715
202 HD2 LYS 26 HD2 LYS 26 2.282 2.560 5.260
203 HD3 LYS 26 HD1 LYS 26 3.467 3.461 6.202
204 HE2 LYS 26 HE2 LYS 26 1.356 3.758 7.252
205 HE3 LYS 26 HE1 LYS 26 1.759 5.275 6.448
206 HZ1 LYS 26 HZ1 LYS 26 0.245 4.804 4.715
207 HZ2 LYS 26 HZ2 LYS 26 -0.582 4.494 6.155
208 HZ3 LYS 26 HZ3 LYS 26 0.014 3.206 5.227
209 HA 4PH 27 HA 4PH 27 6.087 0.709 0.757
210 HB2 4PH 27 HB1 4PH 27 3.551 0.738 -0.875
211 HB3 4PH 27 HB2 4PH 27 3.947 -0.304 0.480
212 HD2 4PH 27 HD2 4PH 27 3.544 -0.241 -2.918
213 HD1 4PH 27 HD1 4PH 27 6.238 -1.716 0.030
214 HE2 4PH 27 HE2 4PH 27 4.310 -1.967 -4.489
215 HE1 4PH 27 HE1 4PH 27 7.005 -3.448 -1.538
216 H33 4PH 27 H33 4PH 27 5.332 -4.050 -4.657
217 H33A 4PH 27 H33A 4PH 27 6.978 -3.422 -4.554
218 H33B 4PH 27 H33B 4PH 27 6.429 -4.665 -3.424
219 H 4PH 27 HN 4PH 27 3.811 2.405 0.706
220 H GLN 28 HN GLN 28 4.735 2.888 -1.712
221 HA GLN 28 HA GLN 28 6.543 2.174 -3.747
222 HB2 GLN 28 HB2 GLN 28 4.968 4.721 -3.334
223 HB3 GLN 28 HB1 GLN 28 5.855 4.338 -4.804
224 HG2 GLN 28 HG2 GLN 28 4.435 2.412 -5.201
225 HG3 GLN 28 HG1 GLN 28 3.595 2.686 -3.676
226 HE21 GLN 28 HE21 GLN 28 2.520 2.583 -6.369
227 HE22 GLN 28 HE22 GLN 28 1.748 4.102 -6.644
228 H LYS 29 HN LYS 29 6.697 4.649 -1.244
229 HA LYS 29 HA LYS 29 9.058 5.892 -2.223
230 HB2 LYS 29 HB2 LYS 29 7.522 7.041 -0.696
231 HB3 LYS 29 HB1 LYS 29 7.882 5.871 0.565
232 HG2 LYS 29 HG2 LYS 29 10.216 6.631 0.580
233 HG3 LYS 29 HG1 LYS 29 9.819 7.829 -0.651
234 HD2 LYS 29 HD2 LYS 29 8.198 8.851 0.885
235 HD3 LYS 29 HD1 LYS 29 8.631 7.664 2.117
236 HE2 LYS 29 HE2 LYS 29 9.778 9.771 2.514
237 HE3 LYS 29 HE1 LYS 29 10.931 8.499 2.110
238 HZ1 LYS 29 HZ1 LYS 29 9.911 10.547 0.216
239 HZ2 LYS 29 HZ2 LYS 29 11.059 9.353 -0.132
240 HZ3 LYS 29 HZ3 LYS 29 11.423 10.579 0.968
241 H ASP 30 HN ASP 30 8.428 3.424 0.237
242 HA ASP 30 HA ASP 30 11.151 3.207 1.045
243 HB2 ASP 30 HB2 ASP 30 9.319 2.572 2.545
244 HB3 ASP 30 HB1 ASP 30 8.845 1.283 1.444
245 H LEU 31 HN LEU 31 9.151 1.505 -1.303
246 HA LEU 31 HA LEU 31 10.953 -0.571 -1.930
247 HB2 LEU 31 HB2 LEU 31 8.449 -0.165 -2.605
248 HB3 LEU 31 HB1 LEU 31 9.142 0.686 -3.968
249 HG LEU 31 HG LEU 31 8.479 -1.642 -4.487
250 HD11 LEU 31 HD11 LEU 31 10.517 -2.306 -5.636
251 HD12 LEU 31 HD12 LEU 31 11.443 -1.154 -4.675
252 HD13 LEU 31 HD13 LEU 31 10.226 -0.575 -5.811
253 HD21 LEU 31 HD21 LEU 31 10.737 -2.449 -2.675
254 HD22 LEU 31 HD22 LEU 31 9.661 -3.506 -3.589
255 HD23 LEU 31 HD23 LEU 31 9.028 -2.549 -2.248
256 H ALA 32 HN ALA 32 10.543 2.696 -3.182
257 HA ALA 32 HA ALA 32 12.376 2.581 -5.289
258 HB1 ALA 32 HB1 ALA 32 11.620 4.959 -3.599
259 HB2 ALA 32 HB2 ALA 32 10.741 4.379 -5.013
260 HB3 ALA 32 HB3 ALA 32 12.377 5.013 -5.190
261 H ASP 33 HN ASP 33 12.801 3.658 -1.937
262 HA ASP 33 HA ASP 33 15.550 4.262 -2.158
263 HB2 ASP 33 HB2 ASP 33 14.329 5.208 -0.334
264 HB3 ASP 33 HB1 ASP 33 13.814 3.622 0.231
265 HA 4PH 34 HA 4PH 34 16.065 -0.133 -0.335
266 HB2 4PH 34 HB1 4PH 34 13.518 -1.193 -1.568
267 HB3 4PH 34 HB2 4PH 34 13.684 -0.706 0.113
268 HD2 4PH 34 HD2 4PH 34 15.497 -1.900 1.487
269 HD1 4PH 34 HD1 4PH 34 13.927 -3.403 -2.171
270 HE2 4PH 34 HE2 4PH 34 16.220 -4.165 2.112
271 HE1 4PH 34 HE1 4PH 34 14.651 -5.671 -1.555
272 H33 4PH 34 H33 4PH 34 16.871 -6.523 0.337
273 H33A 4PH 34 H33A 4PH 34 15.823 -6.441 1.755
274 H33B 4PH 34 H33B 4PH 34 15.197 -7.053 0.218
275 H 4PH 34 HN 4PH 34 13.839 1.324 -1.254
276 HN1 NH2 35 HN1 NH2 35 14.550 0.123 -3.502
277 HN2 NH2 35 HN2 NH2 35 15.817 -0.660 -4.381
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 14.110 -3.162 4.874
2 H2 ACE 0 HA2 ACE 0 13.859 -1.958 6.135
3 H3 ACE 0 HA3 ACE 0 12.805 -1.946 4.723
4 HA PRO 1 HA PRO 1 12.463 -4.743 3.548
5 HB2 PRO 1 HB2 PRO 1 10.993 -7.110 4.599
6 HB3 PRO 1 HB1 PRO 1 12.280 -7.034 3.378
7 HG2 PRO 1 HG2 PRO 1 12.752 -7.984 5.808
8 HG3 PRO 1 HG1 PRO 1 13.961 -7.020 4.932
9 HD2 PRO 1 HD2 PRO 1 12.187 -6.215 7.195
10 HD3 PRO 1 HD1 PRO 1 13.860 -5.734 6.839
11 HA PRO 2 HA PRO 2 8.353 -2.918 3.899
12 HB2 PRO 2 HB2 PRO 2 8.182 -2.115 1.288
13 HB3 PRO 2 HB1 PRO 2 9.073 -1.207 2.526
14 HG2 PRO 2 HG2 PRO 2 10.093 -3.021 0.414
15 HG3 PRO 2 HG1 PRO 2 10.784 -1.519 1.058
16 HD2 PRO 2 HD2 PRO 2 11.661 -4.015 1.758
17 HD3 PRO 2 HD1 PRO 2 11.817 -2.586 2.798
18 H THR 3 HN THR 3 7.068 -4.703 4.183
19 HA THR 3 HA THR 3 6.650 -6.676 2.180
20 HB THR 3 HB THR 3 4.609 -7.170 3.772
21 HG1 THR 3 HG1 THR 3 4.507 -5.895 5.448
22 HG21 THR 3 HG21 THR 3 6.106 -8.414 5.278
23 HG22 THR 3 HG22 THR 3 7.483 -7.516 4.638
24 HG23 THR 3 HG23 THR 3 6.572 -8.598 3.588
25 H LYS 4 HN LYS 4 5.381 -6.550 0.463
26 HA LYS 4 HA LYS 4 3.734 -4.264 0.013
27 HB2 LYS 4 HB2 LYS 4 3.274 -5.192 -2.156
28 HB3 LYS 4 HB1 LYS 4 4.973 -5.465 -1.801
29 HG2 LYS 4 HG2 LYS 4 4.467 -7.777 -1.194
30 HG3 LYS 4 HG1 LYS 4 2.767 -7.494 -1.585
31 HD2 LYS 4 HD2 LYS 4 3.427 -6.934 -3.897
32 HD3 LYS 4 HD1 LYS 4 5.103 -7.301 -3.488
33 HE2 LYS 4 HE2 LYS 4 4.067 -9.179 -4.626
34 HE3 LYS 4 HE1 LYS 4 4.465 -9.604 -2.964
35 HZ1 LYS 4 HZ1 LYS 4 2.255 -10.381 -3.649
36 HZ2 LYS 4 HZ2 LYS 4 1.769 -8.781 -3.896
37 HZ3 LYS 4 HZ3 LYS 4 2.176 -9.309 -2.344
38 HA PRO 5 HA PRO 5 0.003 -5.902 1.753
39 HB2 PRO 5 HB2 PRO 5 -1.647 -3.900 1.022
40 HB3 PRO 5 HB1 PRO 5 -0.403 -3.677 2.263
41 HG2 PRO 5 HG2 PRO 5 -0.408 -2.805 -0.572
42 HG3 PRO 5 HG1 PRO 5 0.233 -1.988 0.863
43 HD2 PRO 5 HD2 PRO 5 1.745 -3.413 -0.962
44 HD3 PRO 5 HD1 PRO 5 2.246 -3.032 0.699
45 H THR 6 HN THR 6 -2.174 -6.547 1.094
46 HA THR 6 HA THR 6 -2.187 -7.512 -1.654
47 HB THR 6 HB THR 6 -2.682 -9.088 0.208
48 HG1 THR 6 HG1 THR 6 -3.904 -10.137 -1.163
49 HG21 THR 6 HG21 THR 6 -3.917 -7.568 1.670
50 HG22 THR 6 HG22 THR 6 -4.879 -8.996 1.290
51 HG23 THR 6 HG23 THR 6 -5.211 -7.467 0.476
52 H LYS 7 HN LYS 7 -4.034 -7.315 -2.995
53 HA LYS 7 HA LYS 7 -5.197 -4.719 -3.032
54 HB2 LYS 7 HB2 LYS 7 -5.842 -7.198 -4.636
55 HB3 LYS 7 HB1 LYS 7 -6.500 -5.602 -4.963
56 HG2 LYS 7 HG2 LYS 7 -3.576 -6.321 -5.043
57 HG3 LYS 7 HG1 LYS 7 -4.634 -6.185 -6.448
58 HD2 LYS 7 HD2 LYS 7 -5.065 -3.817 -5.829
59 HD3 LYS 7 HD1 LYS 7 -3.891 -3.984 -4.522
60 HE2 LYS 7 HE2 LYS 7 -2.158 -4.539 -6.174
61 HE3 LYS 7 HE1 LYS 7 -3.335 -4.321 -7.468
62 HZ1 LYS 7 HZ1 LYS 7 -2.022 -2.346 -7.235
63 HZ2 LYS 7 HZ2 LYS 7 -2.367 -2.238 -5.586
64 HZ3 LYS 7 HZ3 LYS 7 -3.597 -2.000 -6.723
65 HA PRO 8 HA PRO 8 -8.570 -5.599 -0.185
66 HB2 PRO 8 HB2 PRO 8 -9.622 -3.109 -1.440
67 HB3 PRO 8 HB1 PRO 8 -9.377 -3.492 0.278
68 HG2 PRO 8 HG2 PRO 8 -7.771 -1.807 -0.991
69 HG3 PRO 8 HG1 PRO 8 -7.141 -2.939 0.225
70 HD2 PRO 8 HD2 PRO 8 -6.973 -3.083 -2.757
71 HD3 PRO 8 HD1 PRO 8 -5.770 -3.544 -1.531
72 H GLY 9 HN GLY 9 -10.374 -6.769 -0.505
73 HA2 GLY 9 HA2 GLY 9 -11.385 -6.965 -3.258
74 HA3 GLY 9 HA1 GLY 9 -11.596 -8.178 -2.005
75 H ASP 10 HN ASP 10 -12.926 -7.461 -0.105
76 HA ASP 10 HA ASP 10 -15.298 -6.063 -1.091
77 HB2 ASP 10 HB2 ASP 10 -14.821 -7.733 1.383
78 HB3 ASP 10 HB1 ASP 10 -16.320 -6.866 1.073
79 H ASN 11 HN ASN 11 -12.650 -5.701 1.062
80 HA ASN 11 HA ASN 11 -13.770 -3.410 2.422
81 HB2 ASN 11 HB2 ASN 11 -11.596 -3.277 3.561
82 HB3 ASN 11 HB1 ASN 11 -12.272 -4.898 3.660
83 HD21 ASN 11 HD21 ASN 11 -9.519 -4.040 3.952
84 HD22 ASN 11 HD22 ASN 11 -8.611 -4.886 2.753
85 H ALA 12 HN ALA 12 -12.969 -3.744 -0.580
86 HA ALA 12 HA ALA 12 -11.115 -1.614 -1.049
87 HB1 ALA 12 HB1 ALA 12 -11.575 -2.012 -3.398
88 HB2 ALA 12 HB2 ALA 12 -12.948 -3.035 -2.971
89 HB3 ALA 12 HB3 ALA 12 -11.309 -3.540 -2.558
90 H THR 13 HN THR 13 -13.626 -1.040 0.444
91 HA THR 13 HA THR 13 -15.432 0.455 -1.102
92 HB THR 13 HB THR 13 -15.960 1.616 1.065
93 HG1 THR 13 HG1 THR 13 -14.897 0.751 2.933
94 HG21 THR 13 HG21 THR 13 -16.898 -0.354 2.140
95 HG22 THR 13 HG22 THR 13 -15.831 -1.397 1.202
96 HG23 THR 13 HG23 THR 13 -17.087 -0.462 0.392
97 HA PRO 14 HA PRO 14 -13.312 4.061 -2.485
98 HB2 PRO 14 HB2 PRO 14 -15.560 5.542 -1.167
99 HB3 PRO 14 HB1 PRO 14 -14.909 5.717 -2.808
100 HG2 PRO 14 HG2 PRO 14 -17.191 4.433 -2.357
101 HG3 PRO 14 HG1 PRO 14 -16.052 3.912 -3.619
102 HD2 PRO 14 HD2 PRO 14 -16.681 2.639 -1.021
103 HD3 PRO 14 HD1 PRO 14 -16.047 1.917 -2.508
104 H GLU 15 HN GLU 15 -14.559 4.043 0.815
105 HA GLU 15 HA GLU 15 -13.035 6.197 1.812
106 HB2 GLU 15 HB2 GLU 15 -14.237 3.814 3.228
107 HB3 GLU 15 HB1 GLU 15 -13.540 5.203 4.047
108 HG2 GLU 15 HG2 GLU 15 -15.226 6.645 3.079
109 HG3 GLU 15 HG1 GLU 15 -15.891 5.287 2.176
110 H LYS 16 HN LYS 16 -12.513 2.673 2.070
111 HA LYS 16 HA LYS 16 -9.983 3.122 3.385
112 HB2 LYS 16 HB2 LYS 16 -11.494 1.304 4.119
113 HB3 LYS 16 HB1 LYS 16 -11.286 0.521 2.553
114 HG2 LYS 16 HG2 LYS 16 -8.947 0.174 2.985
115 HG3 LYS 16 HG1 LYS 16 -9.050 1.087 4.489
116 HD2 LYS 16 HD2 LYS 16 -10.639 -0.606 5.355
117 HD3 LYS 16 HD1 LYS 16 -10.409 -1.535 3.872
118 HE2 LYS 16 HE2 LYS 16 -9.019 -2.385 5.708
119 HE3 LYS 16 HE1 LYS 16 -8.046 -1.788 4.367
120 HZ1 LYS 16 HZ1 LYS 16 -7.563 0.193 5.571
121 HZ2 LYS 16 HZ2 LYS 16 -7.241 -1.112 6.594
122 HZ3 LYS 16 HZ3 LYS 16 -8.650 -0.205 6.803
123 H LEU 17 HN LEU 17 -11.153 2.375 0.218
124 HA LEU 17 HA LEU 17 -8.806 1.292 -0.894
125 HB2 LEU 17 HB2 LEU 17 -11.069 1.261 -1.936
126 HB3 LEU 17 HB1 LEU 17 -10.897 2.973 -2.267
127 HG LEU 17 HG LEU 17 -8.993 2.494 -3.746
128 HD11 LEU 17 HD11 LEU 17 -8.174 0.473 -2.669
129 HD12 LEU 17 HD12 LEU 17 -8.512 0.172 -4.371
130 HD13 LEU 17 HD13 LEU 17 -9.638 -0.387 -3.134
131 HD21 LEU 17 HD21 LEU 17 -10.280 1.451 -5.529
132 HD22 LEU 17 HD22 LEU 17 -11.268 2.604 -4.631
133 HD23 LEU 17 HD23 LEU 17 -11.457 0.873 -4.349
134 H ALA 18 HN ALA 18 -9.928 4.572 -0.412
135 HA ALA 18 HA ALA 18 -7.839 5.891 -1.781
136 HB1 ALA 18 HB1 ALA 18 -9.922 7.015 -1.236
137 HB2 ALA 18 HB2 ALA 18 -8.559 7.873 -0.514
138 HB3 ALA 18 HB3 ALA 18 -9.585 6.843 0.485
139 H LYS 19 HN LYS 19 -8.316 4.967 1.601
140 HA LYS 19 HA LYS 19 -5.892 5.968 2.604
141 HB2 LYS 19 HB2 LYS 19 -7.707 5.252 4.079
142 HB3 LYS 19 HB1 LYS 19 -7.521 3.591 3.532
143 HG2 LYS 19 HG2 LYS 19 -6.486 3.816 5.678
144 HG3 LYS 19 HG1 LYS 19 -5.229 3.584 4.459
145 HD2 LYS 19 HD2 LYS 19 -4.864 6.027 4.422
146 HD3 LYS 19 HD1 LYS 19 -6.060 6.202 5.705
147 HE2 LYS 19 HE2 LYS 19 -3.889 6.239 6.704
148 HE3 LYS 19 HE1 LYS 19 -4.657 4.709 7.121
149 HZ1 LYS 19 HZ1 LYS 19 -3.365 3.608 5.430
150 HZ2 LYS 19 HZ2 LYS 19 -2.327 4.451 6.464
151 HZ3 LYS 19 HZ3 LYS 19 -2.680 5.075 4.935
152 HA 4PH 20 HA 4PH 20 -4.345 1.563 1.467
153 HB2 4PH 20 HB1 4PH 20 -6.374 1.350 -0.764
154 HB3 4PH 20 HB2 4PH 20 -6.370 0.427 0.729
155 HD2 4PH 20 HD2 4PH 20 -5.459 0.422 -2.652
156 HD1 4PH 20 HD1 4PH 20 -4.238 -1.010 1.152
157 HE2 4PH 20 HE2 4PH 20 -4.131 -1.334 -3.747
158 HE1 4PH 20 HE1 4PH 20 -2.915 -2.774 0.074
159 H33 4PH 20 H33 4PH 20 -1.815 -3.363 -1.904
160 H33A 4PH 20 H33A 4PH 20 -3.257 -4.026 -2.663
161 H33B 4PH 20 H33B 4PH 20 -2.327 -2.763 -3.476
162 H 4PH 20 HN 4PH 20 -6.755 2.937 1.068
163 H GLN 21 HN GLN 21 -5.435 3.544 -1.306
164 HA GLN 21 HA GLN 21 -3.072 3.359 -2.791
165 HB2 GLN 21 HB2 GLN 21 -5.154 5.536 -2.657
166 HB3 GLN 21 HB1 GLN 21 -3.820 5.558 -3.802
167 HG2 GLN 21 HG2 GLN 21 -5.873 3.371 -3.594
168 HG3 GLN 21 HG1 GLN 21 -5.918 4.694 -4.759
169 HE21 GLN 21 HE21 GLN 21 -4.307 1.746 -3.829
170 HE22 GLN 21 HE22 GLN 21 -3.442 1.522 -5.304
171 H ALA 22 HN ALA 22 -3.965 5.517 -0.168
172 HA ALA 22 HA ALA 22 -1.704 7.211 -0.339
173 HB1 ALA 22 HB1 ALA 22 -3.731 7.871 0.812
174 HB2 ALA 22 HB2 ALA 22 -2.351 7.926 1.910
175 HB3 ALA 22 HB3 ALA 22 -3.495 6.585 1.994
176 H ASP 23 HN ASP 23 -2.406 4.266 1.462
177 HA ASP 23 HA ASP 23 0.049 4.169 2.891
178 HB2 ASP 23 HB2 ASP 23 -1.848 2.853 3.648
179 HB3 ASP 23 HB1 ASP 23 -1.889 1.966 2.128
180 H LEU 24 HN LEU 24 -0.995 2.956 -0.248
181 HA LEU 24 HA LEU 24 1.352 1.530 -0.857
182 HB2 LEU 24 HB2 LEU 24 -0.903 2.621 -2.452
183 HB3 LEU 24 HB1 LEU 24 0.559 2.161 -3.306
184 HG LEU 24 HG LEU 24 -1.282 0.412 -3.164
185 HD11 LEU 24 HD11 LEU 24 1.434 -0.322 -2.081
186 HD12 LEU 24 HD12 LEU 24 1.036 -0.100 -3.783
187 HD13 LEU 24 HD13 LEU 24 0.291 -1.412 -2.868
188 HD21 LEU 24 HD21 LEU 24 -1.874 0.762 -0.823
189 HD22 LEU 24 HD22 LEU 24 -0.271 0.215 -0.334
190 HD23 LEU 24 HD23 LEU 24 -1.381 -0.905 -1.124
191 H ALA 25 HN ALA 25 0.518 4.913 -1.121
192 HA ALA 25 HA ALA 25 2.698 5.759 -2.677
193 HB1 ALA 25 HB1 ALA 25 2.326 7.960 -1.684
194 HB2 ALA 25 HB2 ALA 25 1.289 7.236 -0.455
195 HB3 ALA 25 HB3 ALA 25 0.802 7.206 -2.149
196 H LYS 26 HN LYS 26 2.368 5.077 0.753
197 HA LYS 26 HA LYS 26 4.983 5.941 1.476
198 HB2 LYS 26 HB2 LYS 26 3.049 4.071 2.858
199 HB3 LYS 26 HB1 LYS 26 4.540 4.665 3.572
200 HG2 LYS 26 HG2 LYS 26 3.725 6.926 3.531
201 HG3 LYS 26 HG1 LYS 26 2.288 6.428 2.639
202 HD2 LYS 26 HD2 LYS 26 1.757 6.746 4.984
203 HD3 LYS 26 HD1 LYS 26 1.598 5.047 4.544
204 HE2 LYS 26 HE2 LYS 26 3.797 4.592 5.509
205 HE3 LYS 26 HE1 LYS 26 3.961 6.290 5.946
206 HZ1 LYS 26 HZ1 LYS 26 3.231 4.919 7.811
207 HZ2 LYS 26 HZ2 LYS 26 1.847 4.464 6.954
208 HZ3 LYS 26 HZ3 LYS 26 2.069 6.077 7.408
209 HA 4PH 27 HA 4PH 27 5.781 1.222 0.984
210 HB2 4PH 27 HB1 4PH 27 3.338 0.989 -0.756
211 HB3 4PH 27 HB2 4PH 27 3.724 0.092 0.703
212 HD2 4PH 27 HD2 4PH 27 3.706 0.040 -2.818
213 HD1 4PH 27 HD1 4PH 27 5.794 -1.484 0.561
214 HE2 4PH 27 HE2 4PH 27 4.623 -1.762 -4.206
215 HE1 4PH 27 HE1 4PH 27 6.718 -3.296 -0.828
216 H33 4PH 27 H33 4PH 27 6.441 -4.517 -2.787
217 H33A 4PH 27 H33A 4PH 27 5.573 -3.880 -4.187
218 H33B 4PH 27 H33B 4PH 27 7.200 -3.303 -3.808
219 H 4PH 27 HN 4PH 27 3.515 2.839 0.652
220 H GLN 28 HN GLN 28 4.607 3.000 -1.866
221 HA GLN 28 HA GLN 28 6.601 2.085 -3.634
222 HB2 GLN 28 HB2 GLN 28 4.955 4.619 -3.689
223 HB3 GLN 28 HB1 GLN 28 5.983 4.078 -5.011
224 HG2 GLN 28 HG2 GLN 28 3.604 2.589 -3.905
225 HG3 GLN 28 HG1 GLN 28 3.638 3.519 -5.398
226 HE21 GLN 28 HE21 GLN 28 3.031 0.715 -4.997
227 HE22 GLN 28 HE22 GLN 28 4.154 -0.172 -5.961
228 H LYS 29 HN LYS 29 6.541 4.651 -1.284
229 HA LYS 29 HA LYS 29 8.938 5.921 -2.186
230 HB2 LYS 29 HB2 LYS 29 7.225 7.113 -0.864
231 HB3 LYS 29 HB1 LYS 29 7.560 6.065 0.505
232 HG2 LYS 29 HG2 LYS 29 8.621 8.236 0.764
233 HG3 LYS 29 HG1 LYS 29 9.818 6.947 0.656
234 HD2 LYS 29 HD2 LYS 29 10.494 8.895 -0.652
235 HD3 LYS 29 HD1 LYS 29 10.211 7.500 -1.693
236 HE2 LYS 29 HE2 LYS 29 8.029 8.376 -2.305
237 HE3 LYS 29 HE1 LYS 29 8.245 9.739 -1.209
238 HZ1 LYS 29 HZ1 LYS 29 10.110 10.481 -2.543
239 HZ2 LYS 29 HZ2 LYS 29 8.725 10.339 -3.505
240 HZ3 LYS 29 HZ3 LYS 29 9.932 9.158 -3.582
241 H ASP 30 HN ASP 30 8.154 3.701 0.486
242 HA ASP 30 HA ASP 30 10.799 3.507 1.467
243 HB2 ASP 30 HB2 ASP 30 8.627 2.842 2.654
244 HB3 ASP 30 HB1 ASP 30 8.702 1.346 1.729
245 H LEU 31 HN LEU 31 8.989 1.685 -0.930
246 HA LEU 31 HA LEU 31 10.816 -0.405 -1.351
247 HB2 LEU 31 HB2 LEU 31 8.364 -0.017 -2.194
248 HB3 LEU 31 HB1 LEU 31 9.145 0.760 -3.552
249 HG LEU 31 HG LEU 31 8.477 -1.605 -3.953
250 HD11 LEU 31 HD11 LEU 31 10.192 -0.614 -5.330
251 HD12 LEU 31 HD12 LEU 31 10.591 -2.300 -4.993
252 HD13 LEU 31 HD13 LEU 31 11.420 -1.006 -4.127
253 HD21 LEU 31 HD21 LEU 31 8.981 -2.399 -1.672
254 HD22 LEU 31 HD22 LEU 31 10.704 -2.261 -2.041
255 HD23 LEU 31 HD23 LEU 31 9.699 -3.396 -2.939
256 H ALA 32 HN ALA 32 10.496 2.775 -2.838
257 HA ALA 32 HA ALA 32 12.493 2.493 -4.788
258 HB1 ALA 32 HB1 ALA 32 11.564 5.016 -3.432
259 HB2 ALA 32 HB2 ALA 32 10.769 4.247 -4.805
260 HB3 ALA 32 HB3 ALA 32 12.397 4.901 -4.983
261 H ASP 33 HN ASP 33 12.599 3.684 -1.469
262 HA ASP 33 HA ASP 33 15.362 4.417 -1.575
263 HB2 ASP 33 HB2 ASP 33 13.753 5.449 0.005
264 HB3 ASP 33 HB1 ASP 33 13.620 3.910 0.848
265 HA 4PH 34 HA 4PH 34 15.722 0.150 0.472
266 HB2 4PH 34 HB1 4PH 34 13.320 -0.976 -0.979
267 HB3 4PH 34 HB2 4PH 34 13.314 -0.422 0.687
268 HD2 4PH 34 HD2 4PH 34 15.143 -1.556 2.219
269 HD1 4PH 34 HD1 4PH 34 13.582 -3.226 -1.369
270 HE2 4PH 34 HE2 4PH 34 15.771 -3.806 2.994
271 HE1 4PH 34 HE1 4PH 34 14.204 -5.474 -0.604
272 H33 4PH 34 H33 4PH 34 15.309 -6.085 2.758
273 H33A 4PH 34 H33A 4PH 34 14.679 -6.773 1.258
274 H33B 4PH 34 H33B 4PH 34 16.372 -6.275 1.369
275 H 4PH 34 HN 4PH 34 13.628 1.511 -0.912
276 HN1 NH2 35 HN1 NH2 35 14.883 0.678 -2.824
277 HN2 NH2 35 HN2 NH2 35 16.117 -0.303 -3.533
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 13.534 -1.716 3.912
2 H2 ACE 0 HA2 ACE 0 14.956 -1.960 4.921
3 H3 ACE 0 HA3 ACE 0 13.851 -0.643 5.308
4 HA PRO 1 HA PRO 1 12.753 -4.002 3.397
5 HB2 PRO 1 HB2 PRO 1 11.745 -6.381 4.874
6 HB3 PRO 1 HB1 PRO 1 12.749 -6.305 3.412
7 HG2 PRO 1 HG2 PRO 1 13.781 -7.022 5.747
8 HG3 PRO 1 HG1 PRO 1 14.699 -6.037 4.587
9 HD2 PRO 1 HD2 PRO 1 13.329 -5.193 7.107
10 HD3 PRO 1 HD1 PRO 1 14.857 -4.625 6.399
11 HA PRO 2 HA PRO 2 8.678 -2.462 4.538
12 HB2 PRO 2 HB2 PRO 2 7.942 -1.715 2.016
13 HB3 PRO 2 HB1 PRO 2 9.017 -0.734 3.032
14 HG2 PRO 2 HG2 PRO 2 9.679 -2.542 0.775
15 HG3 PRO 2 HG1 PRO 2 10.396 -0.986 1.236
16 HD2 PRO 2 HD2 PRO 2 11.544 -3.414 1.778
17 HD3 PRO 2 HD1 PRO 2 11.834 -1.946 2.732
18 H THR 3 HN THR 3 6.782 -3.518 4.664
19 HA THR 3 HA THR 3 6.421 -5.915 3.048
20 HB THR 3 HB THR 3 4.415 -6.198 4.673
21 HG1 THR 3 HG1 THR 3 4.207 -4.499 5.925
22 HG21 THR 3 HG21 THR 3 6.440 -7.572 4.731
23 HG22 THR 3 HG22 THR 3 5.862 -7.217 6.357
24 HG23 THR 3 HG23 THR 3 7.250 -6.346 5.706
25 H LYS 4 HN LYS 4 5.006 -6.032 1.442
26 HA LYS 4 HA LYS 4 3.565 -3.697 0.626
27 HB2 LYS 4 HB2 LYS 4 2.959 -4.935 -1.332
28 HB3 LYS 4 HB1 LYS 4 4.622 -5.361 -0.953
29 HG2 LYS 4 HG2 LYS 4 3.837 -7.430 0.098
30 HG3 LYS 4 HG1 LYS 4 2.180 -7.008 -0.341
31 HD2 LYS 4 HD2 LYS 4 2.803 -7.043 -2.708
32 HD3 LYS 4 HD1 LYS 4 4.462 -7.444 -2.268
33 HE2 LYS 4 HE2 LYS 4 3.629 -9.514 -1.193
34 HE3 LYS 4 HE1 LYS 4 2.009 -9.124 -1.766
35 HZ1 LYS 4 HZ1 LYS 4 2.811 -9.237 -4.031
36 HZ2 LYS 4 HZ2 LYS 4 3.129 -10.691 -3.224
37 HZ3 LYS 4 HZ3 LYS 4 4.378 -9.581 -3.492
38 HA PRO 5 HA PRO 5 -0.333 -4.790 2.469
39 HB2 PRO 5 HB2 PRO 5 -1.899 -3.011 1.243
40 HB3 PRO 5 HB1 PRO 5 -0.639 -2.478 2.366
41 HG2 PRO 5 HG2 PRO 5 -0.612 -2.482 -0.611
42 HG3 PRO 5 HG1 PRO 5 -0.032 -1.247 0.524
43 HD2 PRO 5 HD2 PRO 5 1.580 -3.110 -0.717
44 HD3 PRO 5 HD1 PRO 5 1.987 -2.274 0.796
45 H THR 6 HN THR 6 -2.369 -5.741 1.912
46 HA THR 6 HA THR 6 -2.208 -7.301 -0.525
47 HB THR 6 HB THR 6 -2.783 -8.380 1.652
48 HG1 THR 6 HG1 THR 6 -4.030 -9.801 0.622
49 HG21 THR 6 HG21 THR 6 -5.067 -8.149 2.510
50 HG22 THR 6 HG22 THR 6 -5.380 -6.883 1.324
51 HG23 THR 6 HG23 THR 6 -4.186 -6.624 2.594
52 H LYS 7 HN LYS 7 -3.699 -7.316 -2.148
53 HA LYS 7 HA LYS 7 -4.905 -4.887 -2.870
54 HB2 LYS 7 HB2 LYS 7 -5.566 -7.650 -3.911
55 HB3 LYS 7 HB1 LYS 7 -5.888 -6.129 -4.724
56 HG2 LYS 7 HG2 LYS 7 -3.144 -7.187 -4.084
57 HG3 LYS 7 HG1 LYS 7 -3.950 -7.354 -5.641
58 HD2 LYS 7 HD2 LYS 7 -3.204 -4.753 -4.302
59 HD3 LYS 7 HD1 LYS 7 -2.351 -5.505 -5.649
60 HE2 LYS 7 HE2 LYS 7 -5.212 -4.542 -5.703
61 HE3 LYS 7 HE1 LYS 7 -3.833 -3.684 -6.378
62 HZ1 LYS 7 HZ1 LYS 7 -3.479 -5.517 -7.907
63 HZ2 LYS 7 HZ2 LYS 7 -5.042 -4.893 -8.078
64 HZ3 LYS 7 HZ3 LYS 7 -4.800 -6.350 -7.256
65 HA PRO 8 HA PRO 8 -8.634 -5.336 -0.355
66 HB2 PRO 8 HB2 PRO 8 -9.403 -2.837 -1.714
67 HB3 PRO 8 HB1 PRO 8 -9.193 -3.155 0.022
68 HG2 PRO 8 HG2 PRO 8 -7.482 -1.631 -1.358
69 HG3 PRO 8 HG1 PRO 8 -6.953 -2.668 -0.019
70 HD2 PRO 8 HD2 PRO 8 -6.710 -3.123 -2.968
71 HD3 PRO 8 HD1 PRO 8 -5.550 -3.479 -1.667
72 H GLY 9 HN GLY 9 -9.944 -6.857 -1.169
73 HA2 GLY 9 HA2 GLY 9 -11.167 -6.416 -3.802
74 HA3 GLY 9 HA1 GLY 9 -11.155 -7.940 -2.921
75 H ASP 10 HN ASP 10 -12.268 -7.783 -0.729
76 HA ASP 10 HA ASP 10 -14.955 -6.829 -1.204
77 HB2 ASP 10 HB2 ASP 10 -14.698 -9.016 -0.211
78 HB3 ASP 10 HB1 ASP 10 -13.727 -8.356 1.098
79 H ASN 11 HN ASN 11 -12.237 -6.035 0.845
80 HA ASN 11 HA ASN 11 -13.715 -4.054 2.349
81 HB2 ASN 11 HB2 ASN 11 -11.644 -3.692 3.567
82 HB3 ASN 11 HB1 ASN 11 -11.947 -5.419 3.425
83 HD21 ASN 11 HD21 ASN 11 -9.854 -2.817 2.635
84 HD22 ASN 11 HD22 ASN 11 -8.622 -3.756 1.875
85 H ALA 12 HN ALA 12 -12.974 -3.953 -0.661
86 HA ALA 12 HA ALA 12 -11.208 -1.735 -0.976
87 HB1 ALA 12 HB1 ALA 12 -11.359 -3.487 -2.641
88 HB2 ALA 12 HB2 ALA 12 -11.757 -1.917 -3.343
89 HB3 ALA 12 HB3 ALA 12 -13.042 -3.061 -2.951
90 H THR 13 HN THR 13 -13.697 -1.254 0.601
91 HA THR 13 HA THR 13 -15.537 0.303 -0.822
92 HB THR 13 HB THR 13 -15.934 1.379 1.471
93 HG1 THR 13 HG1 THR 13 -14.007 1.007 2.508
94 HG21 THR 13 HG21 THR 13 -17.276 -0.469 0.606
95 HG22 THR 13 HG22 THR 13 -17.006 -0.651 2.337
96 HG23 THR 13 HG23 THR 13 -16.083 -1.625 1.194
97 HA PRO 14 HA PRO 14 -13.541 3.701 -2.574
98 HB2 PRO 14 HB2 PRO 14 -15.517 5.314 -0.995
99 HB3 PRO 14 HB1 PRO 14 -15.061 5.457 -2.705
100 HG2 PRO 14 HG2 PRO 14 -17.298 4.209 -1.911
101 HG3 PRO 14 HG1 PRO 14 -16.387 3.732 -3.359
102 HD2 PRO 14 HD2 PRO 14 -16.725 2.283 -0.844
103 HD3 PRO 14 HD1 PRO 14 -16.075 1.707 -2.387
104 H GLU 15 HN GLU 15 -14.479 4.781 0.725
105 HA GLU 15 HA GLU 15 -12.357 6.629 0.878
106 HB2 GLU 15 HB2 GLU 15 -14.035 5.396 3.059
107 HB3 GLU 15 HB1 GLU 15 -12.884 6.694 3.330
108 HG2 GLU 15 HG2 GLU 15 -14.165 8.060 1.680
109 HG3 GLU 15 HG1 GLU 15 -15.369 6.774 1.650
110 H LYS 16 HN LYS 16 -12.673 3.335 2.064
111 HA LYS 16 HA LYS 16 -10.158 3.316 3.412
112 HB2 LYS 16 HB2 LYS 16 -12.044 1.823 4.011
113 HB3 LYS 16 HB1 LYS 16 -11.860 0.995 2.468
114 HG2 LYS 16 HG2 LYS 16 -9.661 0.217 3.117
115 HG3 LYS 16 HG1 LYS 16 -9.766 1.116 4.632
116 HD2 LYS 16 HD2 LYS 16 -11.596 -1.133 3.791
117 HD3 LYS 16 HD1 LYS 16 -10.274 -1.264 4.951
118 HE2 LYS 16 HE2 LYS 16 -11.386 0.361 6.404
119 HE3 LYS 16 HE1 LYS 16 -12.703 0.503 5.243
120 HZ1 LYS 16 HZ1 LYS 16 -13.210 -1.832 5.592
121 HZ2 LYS 16 HZ2 LYS 16 -13.285 -0.978 7.046
122 HZ3 LYS 16 HZ3 LYS 16 -11.952 -1.962 6.714
123 H LEU 17 HN LEU 17 -11.304 2.547 0.216
124 HA LEU 17 HA LEU 17 -8.975 1.283 -0.773
125 HB2 LEU 17 HB2 LEU 17 -11.194 1.166 -1.851
126 HB3 LEU 17 HB1 LEU 17 -11.083 2.871 -2.237
127 HG LEU 17 HG LEU 17 -9.182 2.415 -3.721
128 HD11 LEU 17 HD11 LEU 17 -8.270 0.468 -2.589
129 HD12 LEU 17 HD12 LEU 17 -8.611 0.099 -4.277
130 HD13 LEU 17 HD13 LEU 17 -9.700 -0.466 -3.012
131 HD21 LEU 17 HD21 LEU 17 -11.440 2.419 -4.621
132 HD22 LEU 17 HD22 LEU 17 -11.611 0.708 -4.227
133 HD23 LEU 17 HD23 LEU 17 -10.445 1.219 -5.448
134 H ALA 18 HN ALA 18 -10.063 4.613 -0.602
135 HA ALA 18 HA ALA 18 -7.896 5.773 -2.005
136 HB1 ALA 18 HB1 ALA 18 -9.729 6.972 0.063
137 HB2 ALA 18 HB2 ALA 18 -10.003 6.943 -1.678
138 HB3 ALA 18 HB3 ALA 18 -8.664 7.878 -1.013
139 H LYS 19 HN LYS 19 -8.539 5.135 1.411
140 HA LYS 19 HA LYS 19 -6.164 6.238 2.441
141 HB2 LYS 19 HB2 LYS 19 -8.170 5.572 3.788
142 HB3 LYS 19 HB1 LYS 19 -7.713 3.890 3.555
143 HG2 LYS 19 HG2 LYS 19 -5.597 4.313 4.706
144 HG3 LYS 19 HG1 LYS 19 -6.082 5.988 4.970
145 HD2 LYS 19 HD2 LYS 19 -8.033 5.190 6.245
146 HD3 LYS 19 HD1 LYS 19 -7.481 3.530 6.020
147 HE2 LYS 19 HE2 LYS 19 -5.999 5.727 7.463
148 HE3 LYS 19 HE1 LYS 19 -6.837 4.370 8.216
149 HZ1 LYS 19 HZ1 LYS 19 -4.419 4.251 6.499
150 HZ2 LYS 19 HZ2 LYS 19 -5.277 2.886 7.001
151 HZ3 LYS 19 HZ3 LYS 19 -4.523 3.876 8.144
152 HA 4PH 20 HA 4PH 20 -4.541 1.745 1.643
153 HB2 4PH 20 HB1 4PH 20 -6.559 1.501 -0.584
154 HB3 4PH 20 HB2 4PH 20 -6.436 0.512 0.863
155 HD2 4PH 20 HD2 4PH 20 -4.297 -0.906 1.114
156 HD1 4PH 20 HD1 4PH 20 -5.608 0.794 -2.554
157 HE2 4PH 20 HE2 4PH 20 -2.956 -2.546 -0.127
158 HE1 4PH 20 HE1 4PH 20 -4.264 -0.843 -3.799
159 H33 4PH 20 H33 4PH 20 -2.721 -3.644 -2.171
160 H33A 4PH 20 H33A 4PH 20 -3.230 -2.907 -3.696
161 H33B 4PH 20 H33B 4PH 20 -1.773 -2.338 -2.874
162 H 4PH 20 HN 4PH 20 -6.940 3.083 1.114
163 H GLN 21 HN GLN 21 -5.477 3.849 -1.056
164 HA GLN 21 HA GLN 21 -3.099 3.560 -2.528
165 HB2 GLN 21 HB2 GLN 21 -4.974 5.926 -2.434
166 HB3 GLN 21 HB1 GLN 21 -3.760 5.627 -3.674
167 HG2 GLN 21 HG2 GLN 21 -6.155 3.906 -3.076
168 HG3 GLN 21 HG1 GLN 21 -5.966 4.994 -4.449
169 HE21 GLN 21 HE21 GLN 21 -6.411 2.080 -4.295
170 HE22 GLN 21 HE22 GLN 21 -5.139 1.371 -5.218
171 H ALA 22 HN ALA 22 -3.933 5.505 0.230
172 HA ALA 22 HA ALA 22 -1.671 7.216 0.176
173 HB1 ALA 22 HB1 ALA 22 -3.358 6.359 2.521
174 HB2 ALA 22 HB2 ALA 22 -3.697 7.724 1.458
175 HB3 ALA 22 HB3 ALA 22 -2.258 7.738 2.478
176 H ASP 23 HN ASP 23 -2.350 4.081 1.653
177 HA ASP 23 HA ASP 23 0.155 3.885 3.006
178 HB2 ASP 23 HB2 ASP 23 -1.798 2.531 3.699
179 HB3 ASP 23 HB1 ASP 23 -1.719 1.650 2.177
180 H LEU 24 HN LEU 24 -1.034 2.877 -0.166
181 HA LEU 24 HA LEU 24 1.251 1.535 -1.039
182 HB2 LEU 24 HB2 LEU 24 -0.912 3.030 -2.441
183 HB3 LEU 24 HB1 LEU 24 0.518 2.574 -3.347
184 HG LEU 24 HG LEU 24 -1.350 0.669 -1.927
185 HD11 LEU 24 HD11 LEU 24 -2.350 1.612 -3.922
186 HD12 LEU 24 HD12 LEU 24 -1.885 -0.062 -4.223
187 HD13 LEU 24 HD13 LEU 24 -0.895 1.255 -4.851
188 HD21 LEU 24 HD21 LEU 24 -0.028 -1.069 -3.122
189 HD22 LEU 24 HD22 LEU 24 0.889 -0.220 -1.880
190 HD23 LEU 24 HD23 LEU 24 1.130 0.181 -3.579
191 H ALA 25 HN ALA 25 0.495 4.979 -0.972
192 HA ALA 25 HA ALA 25 2.693 5.905 -2.440
193 HB1 ALA 25 HB1 ALA 25 2.316 8.046 -1.358
194 HB2 ALA 25 HB2 ALA 25 1.316 7.272 -0.130
195 HB3 ALA 25 HB3 ALA 25 0.780 7.310 -1.810
196 H LYS 26 HN LYS 26 2.372 5.049 0.958
197 HA LYS 26 HA LYS 26 4.988 5.856 1.733
198 HB2 LYS 26 HB2 LYS 26 3.114 3.824 2.963
199 HB3 LYS 26 HB1 LYS 26 4.574 4.432 3.724
200 HG2 LYS 26 HG2 LYS 26 3.650 6.614 3.933
201 HG3 LYS 26 HG1 LYS 26 2.277 6.192 2.908
202 HD2 LYS 26 HD2 LYS 26 1.552 6.178 5.196
203 HD3 LYS 26 HD1 LYS 26 1.592 4.517 4.610
204 HE2 LYS 26 HE2 LYS 26 2.516 4.541 6.812
205 HE3 LYS 26 HE1 LYS 26 3.834 4.273 5.675
206 HZ1 LYS 26 HZ1 LYS 26 4.428 6.601 5.862
207 HZ2 LYS 26 HZ2 LYS 26 4.429 5.873 7.385
208 HZ3 LYS 26 HZ3 LYS 26 3.147 6.874 6.928
209 HA 4PH 27 HA 4PH 27 5.784 1.171 1.069
210 HB2 4PH 27 HB1 4PH 27 3.314 0.937 -0.641
211 HB3 4PH 27 HB2 4PH 27 3.657 0.118 0.875
212 HD2 4PH 27 HD2 4PH 27 3.479 -0.280 -2.567
213 HD1 4PH 27 HD1 4PH 27 5.849 -1.413 0.775
214 HE2 4PH 27 HE2 4PH 27 4.321 -2.209 -3.828
215 HE1 4PH 27 HE1 4PH 27 6.699 -3.350 -0.481
216 H33 4PH 27 H33 4PH 27 6.936 -3.691 -3.482
217 H33A 4PH 27 H33A 4PH 27 6.280 -4.788 -2.264
218 H33B 4PH 27 H33B 4PH 27 5.296 -4.302 -3.653
219 H 4PH 27 HN 4PH 27 3.526 2.808 0.742
220 H GLN 28 HN GLN 28 4.581 2.965 -1.740
221 HA GLN 28 HA GLN 28 6.436 1.978 -3.603
222 HB2 GLN 28 HB2 GLN 28 4.914 4.587 -3.514
223 HB3 GLN 28 HB1 GLN 28 5.886 4.076 -4.890
224 HG2 GLN 28 HG2 GLN 28 4.463 2.176 -5.265
225 HG3 GLN 28 HG1 GLN 28 3.571 2.494 -3.779
226 HE21 GLN 28 HE21 GLN 28 2.632 2.293 -6.531
227 HE22 GLN 28 HE22 GLN 28 1.841 3.787 -6.880
228 H LYS 29 HN LYS 29 6.564 4.764 -1.441
229 HA LYS 29 HA LYS 29 8.988 5.809 -2.480
230 HB2 LYS 29 HB2 LYS 29 7.362 7.166 -1.211
231 HB3 LYS 29 HB1 LYS 29 7.721 6.233 0.234
232 HG2 LYS 29 HG2 LYS 29 8.848 8.408 0.208
233 HG3 LYS 29 HG1 LYS 29 9.988 7.062 0.254
234 HD2 LYS 29 HD2 LYS 29 10.411 7.291 -2.114
235 HD3 LYS 29 HD1 LYS 29 9.183 8.552 -2.243
236 HE2 LYS 29 HE2 LYS 29 10.485 10.034 -0.875
237 HE3 LYS 29 HE1 LYS 29 11.652 8.760 -0.525
238 HZ1 LYS 29 HZ1 LYS 29 11.132 9.890 -3.220
239 HZ2 LYS 29 HZ2 LYS 29 12.302 8.735 -2.829
240 HZ3 LYS 29 HZ3 LYS 29 12.435 10.310 -2.228
241 H ASP 30 HN ASP 30 8.223 3.752 0.313
242 HA ASP 30 HA ASP 30 10.902 3.577 1.244
243 HB2 ASP 30 HB2 ASP 30 8.662 3.022 2.468
244 HB3 ASP 30 HB1 ASP 30 8.855 1.429 1.746
245 H LEU 31 HN LEU 31 8.969 1.696 -1.005
246 HA LEU 31 HA LEU 31 10.785 -0.443 -1.368
247 HB2 LEU 31 HB2 LEU 31 8.270 -0.132 -2.072
248 HB3 LEU 31 HB1 LEU 31 8.961 0.532 -3.535
249 HG LEU 31 HG LEU 31 8.304 -1.828 -3.766
250 HD11 LEU 31 HD11 LEU 31 10.068 -0.983 -5.193
251 HD12 LEU 31 HD12 LEU 31 10.375 -2.662 -4.756
252 HD13 LEU 31 HD13 LEU 31 11.272 -1.367 -3.964
253 HD21 LEU 31 HD21 LEU 31 8.757 -2.484 -1.444
254 HD22 LEU 31 HD22 LEU 31 10.487 -2.381 -1.771
255 HD23 LEU 31 HD23 LEU 31 9.501 -3.572 -2.614
256 H ALA 32 HN ALA 32 10.331 2.652 -2.994
257 HA ALA 32 HA ALA 32 12.145 2.309 -5.092
258 HB1 ALA 32 HB1 ALA 32 11.399 4.866 -3.685
259 HB2 ALA 32 HB2 ALA 32 10.487 4.114 -4.995
260 HB3 ALA 32 HB3 ALA 32 12.114 4.729 -5.293
261 H ASP 33 HN ASP 33 12.606 3.333 -1.772
262 HA ASP 33 HA ASP 33 15.377 3.991 -2.131
263 HB2 ASP 33 HB2 ASP 33 14.084 5.072 -0.361
264 HB3 ASP 33 HB1 ASP 33 13.786 3.512 0.399
265 HA 4PH 34 HA 4PH 34 15.750 -0.307 -0.129
266 HB2 4PH 34 HB1 4PH 34 13.154 -1.374 -1.244
267 HB3 4PH 34 HB2 4PH 34 13.334 -0.740 0.384
268 HD2 4PH 34 HD2 4PH 34 13.103 -3.661 -1.389
269 HD1 4PH 34 HD1 4PH 34 15.495 -1.841 1.621
270 HE2 4PH 34 HE2 4PH 34 13.758 -5.883 -0.573
271 HE1 4PH 34 HE1 4PH 34 16.154 -4.061 2.448
272 H33 4PH 34 H33 4PH 34 14.570 -7.069 1.262
273 H33A 4PH 34 H33A 4PH 34 16.265 -6.691 0.941
274 H33B 4PH 34 H33B 4PH 34 15.549 -6.313 2.513
275 H 4PH 34 HN 4PH 34 13.562 1.161 -1.191
276 HN1 NH2 35 HN1 NH2 35 14.204 -0.137 -3.274
277 HN2 NH2 35 HN2 NH2 35 15.398 -1.049 -4.128
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 13.956 -3.413 5.875
2 H2 ACE 0 HA2 ACE 0 13.267 -3.555 4.259
3 H3 ACE 0 HA3 ACE 0 14.642 -4.567 4.691
4 HA PRO 1 HA PRO 1 12.624 -5.565 2.754
5 HB2 PRO 1 HB2 PRO 1 10.859 -7.735 2.577
6 HB3 PRO 1 HB1 PRO 1 12.598 -7.793 2.225
7 HG2 PRO 1 HG2 PRO 1 11.140 -8.603 4.680
8 HG3 PRO 1 HG1 PRO 1 12.569 -9.330 3.914
9 HD2 PRO 1 HD2 PRO 1 12.792 -7.823 6.120
10 HD3 PRO 1 HD1 PRO 1 14.023 -7.784 4.840
11 HA PRO 2 HA PRO 2 8.871 -3.336 3.768
12 HB2 PRO 2 HB2 PRO 2 8.621 -2.082 1.339
13 HB3 PRO 2 HB1 PRO 2 9.722 -1.525 2.617
14 HG2 PRO 2 HG2 PRO 2 10.312 -3.077 0.161
15 HG3 PRO 2 HG1 PRO 2 11.258 -1.809 0.962
16 HD2 PRO 2 HD2 PRO 2 11.823 -4.470 1.179
17 HD3 PRO 2 HD1 PRO 2 12.228 -3.277 2.428
18 H THR 3 HN THR 3 7.176 -4.694 3.878
19 HA THR 3 HA THR 3 6.450 -6.358 1.648
20 HB THR 3 HB THR 3 4.634 -7.155 3.179
21 HG1 THR 3 HG1 THR 3 5.223 -6.380 5.487
22 HG21 THR 3 HG21 THR 3 7.392 -7.179 4.410
23 HG22 THR 3 HG22 THR 3 6.867 -8.224 3.092
24 HG23 THR 3 HG23 THR 3 6.106 -8.356 4.676
25 H LYS 4 HN LYS 4 4.799 -6.053 0.264
26 HA LYS 4 HA LYS 4 3.452 -3.504 0.297
27 HB2 LYS 4 HB2 LYS 4 2.485 -4.200 -1.854
28 HB3 LYS 4 HB1 LYS 4 4.233 -4.383 -1.839
29 HG2 LYS 4 HG2 LYS 4 4.016 -6.761 -1.524
30 HG3 LYS 4 HG1 LYS 4 2.260 -6.610 -1.421
31 HD2 LYS 4 HD2 LYS 4 2.211 -5.761 -3.723
32 HD3 LYS 4 HD1 LYS 4 3.966 -5.919 -3.816
33 HE2 LYS 4 HE2 LYS 4 2.006 -8.172 -3.391
34 HE3 LYS 4 HE1 LYS 4 2.833 -7.795 -4.900
35 HZ1 LYS 4 HZ1 LYS 4 4.089 -8.693 -2.367
36 HZ2 LYS 4 HZ2 LYS 4 4.955 -8.192 -3.730
37 HZ3 LYS 4 HZ3 LYS 4 3.973 -9.565 -3.810
38 HA PRO 5 HA PRO 5 -0.303 -4.954 2.178
39 HB2 PRO 5 HB2 PRO 5 -2.095 -3.233 1.111
40 HB3 PRO 5 HB1 PRO 5 -0.892 -2.709 2.302
41 HG2 PRO 5 HG2 PRO 5 -0.833 -2.438 -0.669
42 HG3 PRO 5 HG1 PRO 5 -0.434 -1.239 0.579
43 HD2 PRO 5 HD2 PRO 5 1.461 -2.651 -0.727
44 HD3 PRO 5 HD1 PRO 5 1.653 -2.133 0.964
45 H THR 6 HN THR 6 -2.321 -5.989 1.683
46 HA THR 6 HA THR 6 -2.234 -7.376 -0.862
47 HB THR 6 HB THR 6 -2.620 -8.671 1.183
48 HG1 THR 6 HG1 THR 6 -5.048 -9.178 0.173
49 HG21 THR 6 HG21 THR 6 -5.167 -7.075 1.375
50 HG22 THR 6 HG22 THR 6 -3.831 -7.079 2.523
51 HG23 THR 6 HG23 THR 6 -4.820 -8.522 2.317
52 H LYS 7 HN LYS 7 -4.003 -7.523 -2.277
53 HA LYS 7 HA LYS 7 -5.137 -5.025 -2.934
54 HB2 LYS 7 HB2 LYS 7 -5.961 -7.756 -3.931
55 HB3 LYS 7 HB1 LYS 7 -6.293 -6.221 -4.713
56 HG2 LYS 7 HG2 LYS 7 -3.547 -7.378 -4.288
57 HG3 LYS 7 HG1 LYS 7 -4.475 -7.479 -5.783
58 HD2 LYS 7 HD2 LYS 7 -4.557 -4.949 -5.746
59 HD3 LYS 7 HD1 LYS 7 -3.353 -5.027 -4.455
60 HE2 LYS 7 HE2 LYS 7 -2.300 -4.682 -6.630
61 HE3 LYS 7 HE1 LYS 7 -1.829 -6.228 -5.925
62 HZ1 LYS 7 HZ1 LYS 7 -2.355 -6.390 -8.298
63 HZ2 LYS 7 HZ2 LYS 7 -3.939 -5.881 -7.989
64 HZ3 LYS 7 HZ3 LYS 7 -3.383 -7.349 -7.362
65 HA PRO 8 HA PRO 8 -8.744 -5.226 -0.235
66 HB2 PRO 8 HB2 PRO 8 -9.652 -2.990 -1.959
67 HB3 PRO 8 HB1 PRO 8 -9.446 -3.043 -0.195
68 HG2 PRO 8 HG2 PRO 8 -7.771 -1.676 -1.739
69 HG3 PRO 8 HG1 PRO 8 -7.199 -2.555 -0.306
70 HD2 PRO 8 HD2 PRO 8 -7.000 -3.320 -3.196
71 HD3 PRO 8 HD1 PRO 8 -5.806 -3.506 -1.889
72 H GLY 9 HN GLY 9 -10.289 -6.682 -0.552
73 HA2 GLY 9 HA2 GLY 9 -11.450 -6.979 -3.237
74 HA3 GLY 9 HA1 GLY 9 -11.520 -8.181 -1.956
75 H ASP 10 HN ASP 10 -12.748 -7.490 0.015
76 HA ASP 10 HA ASP 10 -15.299 -6.360 -0.811
77 HB2 ASP 10 HB2 ASP 10 -15.283 -8.418 0.547
78 HB3 ASP 10 HB1 ASP 10 -14.448 -7.562 1.840
79 H ASN 11 HN ASN 11 -12.541 -5.617 1.143
80 HA ASN 11 HA ASN 11 -13.714 -3.307 2.401
81 HB2 ASN 11 HB2 ASN 11 -11.474 -2.930 3.333
82 HB3 ASN 11 HB1 ASN 11 -11.992 -4.594 3.579
83 HD21 ASN 11 HD21 ASN 11 -9.306 -3.371 3.480
84 HD22 ASN 11 HD22 ASN 11 -8.438 -4.261 2.282
85 H ALA 12 HN ALA 12 -13.113 -3.733 -0.661
86 HA ALA 12 HA ALA 12 -11.357 -1.580 -1.329
87 HB1 ALA 12 HB1 ALA 12 -13.270 -3.091 -3.094
88 HB2 ALA 12 HB2 ALA 12 -11.608 -3.567 -2.745
89 HB3 ALA 12 HB3 ALA 12 -11.932 -2.070 -3.624
90 H THR 13 HN THR 13 -13.883 -1.072 0.249
91 HA THR 13 HA THR 13 -15.620 0.569 -1.220
92 HB THR 13 HB THR 13 -16.014 1.689 1.023
93 HG1 THR 13 HG1 THR 13 -13.694 0.496 1.552
94 HG21 THR 13 HG21 THR 13 -17.137 -0.239 1.975
95 HG22 THR 13 HG22 THR 13 -16.161 -1.327 0.987
96 HG23 THR 13 HG23 THR 13 -17.324 -0.245 0.223
97 HA PRO 14 HA PRO 14 -13.311 3.981 -2.691
98 HB2 PRO 14 HB2 PRO 14 -15.412 5.609 -1.306
99 HB3 PRO 14 HB1 PRO 14 -14.783 5.756 -2.959
100 HG2 PRO 14 HG2 PRO 14 -17.128 4.605 -2.465
101 HG3 PRO 14 HG1 PRO 14 -16.049 4.030 -3.757
102 HD2 PRO 14 HD2 PRO 14 -16.718 2.754 -1.178
103 HD3 PRO 14 HD1 PRO 14 -16.098 2.027 -2.670
104 H GLU 15 HN GLU 15 -14.463 4.315 0.662
105 HA GLU 15 HA GLU 15 -12.619 6.374 1.322
106 HB2 GLU 15 HB2 GLU 15 -14.243 4.532 3.078
107 HB3 GLU 15 HB1 GLU 15 -13.296 5.885 3.680
108 HG2 GLU 15 HG2 GLU 15 -14.659 7.402 2.285
109 HG3 GLU 15 HG1 GLU 15 -15.641 6.019 1.806
110 H LYS 16 HN LYS 16 -12.663 2.887 2.006
111 HA LYS 16 HA LYS 16 -10.133 2.943 3.331
112 HB2 LYS 16 HB2 LYS 16 -11.763 1.217 3.896
113 HB3 LYS 16 HB1 LYS 16 -11.746 0.621 2.238
114 HG2 LYS 16 HG2 LYS 16 -10.454 -0.825 3.699
115 HG3 LYS 16 HG1 LYS 16 -9.413 -0.055 2.502
116 HD2 LYS 16 HD2 LYS 16 -8.286 -0.006 4.616
117 HD3 LYS 16 HD1 LYS 16 -8.793 1.637 4.230
118 HE2 LYS 16 HE2 LYS 16 -9.223 1.163 6.565
119 HE3 LYS 16 HE1 LYS 16 -10.747 1.358 5.700
120 HZ1 LYS 16 HZ1 LYS 16 -10.962 -1.044 5.607
121 HZ2 LYS 16 HZ2 LYS 16 -10.807 -0.530 7.207
122 HZ3 LYS 16 HZ3 LYS 16 -9.490 -1.236 6.417
123 H LEU 17 HN LEU 17 -11.249 2.551 0.084
124 HA LEU 17 HA LEU 17 -8.912 1.419 -1.034
125 HB2 LEU 17 HB2 LEU 17 -11.207 1.506 -2.063
126 HB3 LEU 17 HB1 LEU 17 -10.923 3.204 -2.390
127 HG LEU 17 HG LEU 17 -9.081 2.626 -3.888
128 HD11 LEU 17 HD11 LEU 17 -8.705 0.269 -4.492
129 HD12 LEU 17 HD12 LEU 17 -9.808 -0.220 -3.205
130 HD13 LEU 17 HD13 LEU 17 -8.299 0.599 -2.810
131 HD21 LEU 17 HD21 LEU 17 -11.391 2.774 -4.729
132 HD22 LEU 17 HD22 LEU 17 -11.578 1.040 -4.461
133 HD23 LEU 17 HD23 LEU 17 -10.412 1.630 -5.647
134 H ALA 18 HN ALA 18 -9.941 4.675 -0.306
135 HA ALA 18 HA ALA 18 -7.808 6.026 -1.607
136 HB1 ALA 18 HB1 ALA 18 -9.548 6.913 0.691
137 HB2 ALA 18 HB2 ALA 18 -9.887 7.159 -1.021
138 HB3 ALA 18 HB3 ALA 18 -8.504 7.958 -0.273
139 H LYS 19 HN LYS 19 -8.391 4.994 1.737
140 HA LYS 19 HA LYS 19 -5.954 5.770 2.858
141 HB2 LYS 19 HB2 LYS 19 -7.766 4.999 4.260
142 HB3 LYS 19 HB1 LYS 19 -7.748 3.418 3.495
143 HG2 LYS 19 HG2 LYS 19 -6.716 3.219 5.633
144 HG3 LYS 19 HG1 LYS 19 -5.465 3.060 4.399
145 HD2 LYS 19 HD2 LYS 19 -4.590 4.452 6.126
146 HD3 LYS 19 HD1 LYS 19 -4.942 5.489 4.744
147 HE2 LYS 19 HE2 LYS 19 -5.669 6.560 6.792
148 HE3 LYS 19 HE1 LYS 19 -7.065 6.143 5.802
149 HZ1 LYS 19 HZ1 LYS 19 -7.388 5.617 8.157
150 HZ2 LYS 19 HZ2 LYS 19 -6.081 4.546 8.102
151 HZ3 LYS 19 HZ3 LYS 19 -7.468 4.231 7.190
152 HA 4PH 20 HA 4PH 20 -4.503 1.416 1.368
153 HB2 4PH 20 HB1 4PH 20 -6.481 1.473 -0.916
154 HB3 4PH 20 HB2 4PH 20 -6.558 0.430 0.494
155 HD2 4PH 20 HD2 4PH 20 -5.506 0.703 -2.845
156 HD1 4PH 20 HD1 4PH 20 -4.543 -1.164 0.849
157 HE2 4PH 20 HE2 4PH 20 -4.222 -1.012 -4.054
158 HE1 4PH 20 HE1 4PH 20 -3.265 -2.885 -0.349
159 H33 4PH 20 H33 4PH 20 -2.960 -3.943 -2.409
160 H33A 4PH 20 H33A 4PH 20 -3.316 -3.140 -3.942
161 H33B 4PH 20 H33B 4PH 20 -1.891 -2.677 -3.005
162 H 4PH 20 HN 4PH 20 -6.871 2.860 1.097
163 H GLN 21 HN GLN 21 -5.473 3.736 -1.169
164 HA GLN 21 HA GLN 21 -3.121 3.612 -2.684
165 HB2 GLN 21 HB2 GLN 21 -5.074 5.877 -2.271
166 HB3 GLN 21 HB1 GLN 21 -3.766 5.929 -3.443
167 HG2 GLN 21 HG2 GLN 21 -5.948 3.861 -3.413
168 HG3 GLN 21 HG1 GLN 21 -5.954 5.316 -4.410
169 HE21 GLN 21 HE21 GLN 21 -4.487 2.196 -3.906
170 HE22 GLN 21 HE22 GLN 21 -3.678 2.113 -5.428
171 H ALA 22 HN ALA 22 -3.893 5.405 0.226
172 HA ALA 22 HA ALA 22 -1.598 7.072 0.240
173 HB1 ALA 22 HB1 ALA 22 -3.346 6.155 2.517
174 HB2 ALA 22 HB2 ALA 22 -3.589 7.600 1.534
175 HB3 ALA 22 HB3 ALA 22 -2.178 7.474 2.584
176 H ASP 23 HN ASP 23 -2.320 3.880 1.518
177 HA ASP 23 HA ASP 23 0.123 3.552 2.943
178 HB2 ASP 23 HB2 ASP 23 -2.080 2.190 3.163
179 HB3 ASP 23 HB1 ASP 23 -1.455 1.258 1.807
180 H LEU 24 HN LEU 24 -0.948 2.757 -0.320
181 HA LEU 24 HA LEU 24 1.365 1.423 -1.174
182 HB2 LEU 24 HB2 LEU 24 -0.818 2.888 -2.581
183 HB3 LEU 24 HB1 LEU 24 0.632 2.489 -3.483
184 HG LEU 24 HG LEU 24 -1.211 0.847 -3.766
185 HD11 LEU 24 HD11 LEU 24 1.278 -0.221 -2.439
186 HD12 LEU 24 HD12 LEU 24 1.094 0.171 -4.148
187 HD13 LEU 24 HD13 LEU 24 0.163 -1.150 -3.440
188 HD21 LEU 24 HD21 LEU 24 -0.676 0.244 -0.867
189 HD22 LEU 24 HD22 LEU 24 -1.709 -0.693 -1.947
190 HD23 LEU 24 HD23 LEU 24 -2.144 0.964 -1.526
191 H ALA 25 HN ALA 25 0.622 4.835 -0.905
192 HA ALA 25 HA ALA 25 2.838 5.822 -2.338
193 HB1 ALA 25 HB1 ALA 25 2.464 7.914 -1.129
194 HB2 ALA 25 HB2 ALA 25 1.386 7.077 -0.011
195 HB3 ALA 25 HB3 ALA 25 0.944 7.233 -1.711
196 H LYS 26 HN LYS 26 2.402 4.965 1.062
197 HA LYS 26 HA LYS 26 4.996 5.670 1.917
198 HB2 LYS 26 HB2 LYS 26 3.070 3.605 2.990
199 HB3 LYS 26 HB1 LYS 26 4.544 4.093 3.804
200 HG2 LYS 26 HG2 LYS 26 3.669 6.391 3.961
201 HG3 LYS 26 HG1 LYS 26 2.170 5.845 3.207
202 HD2 LYS 26 HD2 LYS 26 3.310 4.785 5.794
203 HD3 LYS 26 HD1 LYS 26 1.995 5.955 5.664
204 HE2 LYS 26 HE2 LYS 26 0.581 4.356 4.612
205 HE3 LYS 26 HE1 LYS 26 1.905 3.210 4.428
206 HZ1 LYS 26 HZ1 LYS 26 0.642 4.065 6.970
207 HZ2 LYS 26 HZ2 LYS 26 2.002 3.066 6.866
208 HZ3 LYS 26 HZ3 LYS 26 0.522 2.545 6.237
209 HA 4PH 27 HA 4PH 27 5.872 1.082 1.026
210 HB2 4PH 27 HB1 4PH 27 3.439 0.819 -0.733
211 HB3 4PH 27 HB2 4PH 27 3.797 -0.040 0.757
212 HD2 4PH 27 HD2 4PH 27 3.635 -0.358 -2.677
213 HD1 4PH 27 HD1 4PH 27 6.097 -1.445 0.616
214 HE2 4PH 27 HE2 4PH 27 4.581 -2.197 -4.001
215 HE1 4PH 27 HE1 4PH 27 7.043 -3.294 -0.702
216 H33 4PH 27 H33 4PH 27 6.696 -4.696 -2.520
217 H33A 4PH 27 H33A 4PH 27 5.683 -4.239 -3.892
218 H33B 4PH 27 H33B 4PH 27 7.290 -3.530 -3.697
219 H 4PH 27 HN 4PH 27 3.590 2.702 0.650
220 H GLN 28 HN GLN 28 4.648 2.745 -1.900
221 HA GLN 28 HA GLN 28 6.720 1.758 -3.554
222 HB2 GLN 28 HB2 GLN 28 4.848 4.102 -3.885
223 HB3 GLN 28 HB1 GLN 28 6.005 3.616 -5.120
224 HG2 GLN 28 HG2 GLN 28 4.928 1.384 -5.193
225 HG3 GLN 28 HG1 GLN 28 3.730 1.956 -4.035
226 HE21 GLN 28 HE21 GLN 28 3.666 4.632 -5.227
227 HE22 GLN 28 HE22 GLN 28 2.775 4.470 -6.694
228 H LYS 29 HN LYS 29 6.403 4.712 -1.661
229 HA LYS 29 HA LYS 29 8.722 5.961 -2.713
230 HB2 LYS 29 HB2 LYS 29 6.945 7.219 -1.559
231 HB3 LYS 29 HB1 LYS 29 7.346 6.404 -0.055
232 HG2 LYS 29 HG2 LYS 29 8.278 8.641 -0.098
233 HG3 LYS 29 HG1 LYS 29 9.561 7.433 -0.081
234 HD2 LYS 29 HD2 LYS 29 10.156 9.151 -1.645
235 HD3 LYS 29 HD1 LYS 29 9.760 7.690 -2.547
236 HE2 LYS 29 HE2 LYS 29 7.510 8.596 -2.981
237 HE3 LYS 29 HE1 LYS 29 7.953 10.069 -2.121
238 HZ1 LYS 29 HZ1 LYS 29 8.197 10.404 -4.468
239 HZ2 LYS 29 HZ2 LYS 29 9.185 9.042 -4.617
240 HZ3 LYS 29 HZ3 LYS 29 9.736 10.396 -3.769
241 H ASP 30 HN ASP 30 8.130 3.910 0.120
242 HA ASP 30 HA ASP 30 10.824 4.055 1.070
243 HB2 ASP 30 HB2 ASP 30 8.956 3.456 2.568
244 HB3 ASP 30 HB1 ASP 30 8.691 1.976 1.651
245 H LEU 31 HN LEU 31 9.061 1.898 -1.062
246 HA LEU 31 HA LEU 31 10.953 -0.134 -1.371
247 HB2 LEU 31 HB2 LEU 31 8.493 0.176 -2.263
248 HB3 LEU 31 HB1 LEU 31 9.292 0.854 -3.662
249 HG LEU 31 HG LEU 31 8.652 -1.511 -3.948
250 HD11 LEU 31 HD11 LEU 31 10.779 -2.309 -4.832
251 HD12 LEU 31 HD12 LEU 31 11.621 -1.024 -3.965
252 HD13 LEU 31 HD13 LEU 31 10.489 -0.621 -5.255
253 HD21 LEU 31 HD21 LEU 31 9.778 -3.255 -2.747
254 HD22 LEU 31 HD22 LEU 31 8.994 -2.167 -1.597
255 HD23 LEU 31 HD23 LEU 31 10.736 -2.074 -1.857
256 H ALA 32 HN ALA 32 10.631 3.011 -2.881
257 HA ALA 32 HA ALA 32 12.557 2.752 -4.892
258 HB1 ALA 32 HB1 ALA 32 10.896 4.548 -4.812
259 HB2 ALA 32 HB2 ALA 32 12.536 5.178 -4.981
260 HB3 ALA 32 HB3 ALA 32 11.723 5.239 -3.416
261 H ASP 33 HN ASP 33 12.846 3.593 -1.495
262 HA ASP 33 HA ASP 33 15.632 4.309 -1.729
263 HB2 ASP 33 HB2 ASP 33 14.184 5.380 -0.033
264 HB3 ASP 33 HB1 ASP 33 13.980 3.821 0.760
265 HA 4PH 34 HA 4PH 34 15.910 -0.009 0.140
266 HB2 4PH 34 HB1 4PH 34 13.326 -0.957 -1.110
267 HB3 4PH 34 HB2 4PH 34 13.530 -0.493 0.572
268 HD2 4PH 34 HD2 4PH 34 15.239 -1.825 1.950
269 HD1 4PH 34 HD1 4PH 34 13.622 -3.171 -1.749
270 HE2 4PH 34 HE2 4PH 34 15.828 -4.140 2.539
271 HE1 4PH 34 HE1 4PH 34 14.207 -5.485 -1.169
272 H33 4PH 34 H33 4PH 34 15.578 -6.822 0.148
273 H33A 4PH 34 H33A 4PH 34 16.250 -6.274 1.685
274 H33B 4PH 34 H33B 4PH 34 14.542 -6.716 1.567
275 H 4PH 34 HN 4PH 34 13.800 1.469 -1.106
276 HN1 NH2 35 HN1 NH2 35 17.647 -0.574 -0.961
277 HN2 NH2 35 HN2 NH2 35 17.685 -1.145 -2.592
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 14.725 -1.824 4.999
2 H2 ACE 0 HA2 ACE 0 13.361 -1.468 3.941
3 H3 ACE 0 HA3 ACE 0 14.287 -2.943 3.675
4 HA PRO 1 HA PRO 1 12.627 -4.523 3.014
5 HB2 PRO 1 HB2 PRO 1 11.254 -6.706 4.480
6 HB3 PRO 1 HB1 PRO 1 12.407 -6.801 3.135
7 HG2 PRO 1 HG2 PRO 1 13.115 -7.496 5.595
8 HG3 PRO 1 HG1 PRO 1 14.242 -6.658 4.503
9 HD2 PRO 1 HD2 PRO 1 12.687 -5.556 6.809
10 HD3 PRO 1 HD1 PRO 1 14.344 -5.191 6.281
11 HA PRO 2 HA PRO 2 8.541 -2.613 3.553
12 HB2 PRO 2 HB2 PRO 2 8.642 -2.413 0.627
13 HB3 PRO 2 HB1 PRO 2 8.545 -1.112 1.826
14 HG2 PRO 2 HG2 PRO 2 10.732 -1.572 0.332
15 HG3 PRO 2 HG1 PRO 2 10.794 -0.882 1.966
16 HD2 PRO 2 HD2 PRO 2 11.411 -3.661 1.062
17 HD3 PRO 2 HD1 PRO 2 12.178 -2.680 2.329
18 H THR 3 HN THR 3 6.687 -3.756 3.622
19 HA THR 3 HA THR 3 6.450 -6.136 1.926
20 HB THR 3 HB THR 3 4.483 -6.630 3.500
21 HG1 THR 3 HG1 THR 3 4.214 -4.648 4.487
22 HG21 THR 3 HG21 THR 3 6.617 -7.815 3.624
23 HG22 THR 3 HG22 THR 3 5.950 -7.541 5.233
24 HG23 THR 3 HG23 THR 3 7.275 -6.538 4.645
25 H LYS 4 HN LYS 4 5.154 -6.077 0.207
26 HA LYS 4 HA LYS 4 3.566 -3.742 -0.269
27 HB2 LYS 4 HB2 LYS 4 2.905 -4.940 -2.414
28 HB3 LYS 4 HB1 LYS 4 4.595 -4.528 -2.216
29 HG2 LYS 4 HG2 LYS 4 4.538 -6.663 -3.183
30 HG3 LYS 4 HG1 LYS 4 4.973 -6.913 -1.497
31 HD2 LYS 4 HD2 LYS 4 2.614 -7.480 -1.013
32 HD3 LYS 4 HD1 LYS 4 2.247 -7.299 -2.729
33 HE2 LYS 4 HE2 LYS 4 3.800 -9.097 -3.262
34 HE3 LYS 4 HE1 LYS 4 4.212 -9.260 -1.555
35 HZ1 LYS 4 HZ1 LYS 4 2.614 -10.924 -2.219
36 HZ2 LYS 4 HZ2 LYS 4 1.539 -9.737 -2.753
37 HZ3 LYS 4 HZ3 LYS 4 1.909 -9.864 -1.107
38 HA PRO 5 HA PRO 5 -0.218 -5.339 1.351
39 HB2 PRO 5 HB2 PRO 5 -1.829 -3.339 0.607
40 HB3 PRO 5 HB1 PRO 5 -0.561 -3.085 1.816
41 HG2 PRO 5 HG2 PRO 5 -0.563 -2.367 -1.074
42 HG3 PRO 5 HG1 PRO 5 0.000 -1.426 0.320
43 HD2 PRO 5 HD2 PRO 5 1.651 -2.874 -1.323
44 HD3 PRO 5 HD1 PRO 5 2.030 -2.472 0.365
45 H THR 6 HN THR 6 -2.283 -6.120 0.657
46 HA THR 6 HA THR 6 -2.231 -7.039 -2.109
47 HB THR 6 HB THR 6 -2.547 -8.686 -0.278
48 HG1 THR 6 HG1 THR 6 -3.940 -9.851 -1.463
49 HG21 THR 6 HG21 THR 6 -4.727 -8.820 0.845
50 HG22 THR 6 HG22 THR 6 -5.192 -7.288 0.102
51 HG23 THR 6 HG23 THR 6 -3.863 -7.340 1.261
52 H LYS 7 HN LYS 7 -4.177 -7.039 -3.390
53 HA LYS 7 HA LYS 7 -5.382 -4.470 -3.509
54 HB2 LYS 7 HB2 LYS 7 -6.187 -7.002 -4.947
55 HB3 LYS 7 HB1 LYS 7 -6.675 -5.374 -5.379
56 HG2 LYS 7 HG2 LYS 7 -3.853 -6.422 -5.440
57 HG3 LYS 7 HG1 LYS 7 -4.911 -6.235 -6.838
58 HD2 LYS 7 HD2 LYS 7 -5.043 -3.801 -6.340
59 HD3 LYS 7 HD1 LYS 7 -3.865 -4.045 -5.049
60 HE2 LYS 7 HE2 LYS 7 -3.432 -4.569 -7.987
61 HE3 LYS 7 HE1 LYS 7 -2.769 -3.228 -7.056
62 HZ1 LYS 7 HZ1 LYS 7 -1.580 -4.880 -5.689
63 HZ2 LYS 7 HZ2 LYS 7 -1.111 -4.915 -7.311
64 HZ3 LYS 7 HZ3 LYS 7 -2.141 -6.109 -6.706
65 HA PRO 8 HA PRO 8 -8.584 -5.127 -0.442
66 HB2 PRO 8 HB2 PRO 8 -9.798 -2.859 -1.956
67 HB3 PRO 8 HB1 PRO 8 -9.510 -3.027 -0.210
68 HG2 PRO 8 HG2 PRO 8 -7.990 -1.447 -1.685
69 HG3 PRO 8 HG1 PRO 8 -7.289 -2.428 -0.380
70 HD2 PRO 8 HD2 PRO 8 -7.182 -2.861 -3.334
71 HD3 PRO 8 HD1 PRO 8 -5.947 -3.182 -2.096
72 H GLY 9 HN GLY 9 -10.058 -6.646 -0.603
73 HA2 GLY 9 HA2 GLY 9 -11.584 -6.938 -3.095
74 HA3 GLY 9 HA1 GLY 9 -11.387 -8.180 -1.867
75 H ASP 10 HN ASP 10 -12.332 -7.584 0.314
76 HA ASP 10 HA ASP 10 -15.042 -6.591 -0.143
77 HB2 ASP 10 HB2 ASP 10 -15.627 -7.665 1.938
78 HB3 ASP 10 HB1 ASP 10 -14.691 -8.796 0.969
79 H ASN 11 HN ASN 11 -12.086 -5.623 1.255
80 HA ASN 11 HA ASN 11 -13.330 -3.550 2.886
81 HB2 ASN 11 HB2 ASN 11 -11.068 -3.006 3.637
82 HB3 ASN 11 HB1 ASN 11 -11.389 -4.721 3.837
83 HD21 ASN 11 HD21 ASN 11 -8.869 -3.190 3.564
84 HD22 ASN 11 HD22 ASN 11 -8.023 -3.941 2.265
85 H ALA 12 HN ALA 12 -13.070 -3.821 -0.199
86 HA ALA 12 HA ALA 12 -11.514 -1.584 -1.030
87 HB1 ALA 12 HB1 ALA 12 -13.580 -3.132 -2.574
88 HB2 ALA 12 HB2 ALA 12 -11.872 -3.553 -2.444
89 HB3 ALA 12 HB3 ALA 12 -12.353 -2.054 -3.242
90 H THR 13 HN THR 13 -13.726 -1.068 0.903
91 HA THR 13 HA THR 13 -15.791 0.419 -0.280
92 HB THR 13 HB THR 13 -15.885 1.637 1.900
93 HG1 THR 13 HG1 THR 13 -14.330 0.390 3.472
94 HG21 THR 13 HG21 THR 13 -15.616 -1.358 2.155
95 HG22 THR 13 HG22 THR 13 -17.046 -0.503 1.585
96 HG23 THR 13 HG23 THR 13 -16.499 -0.291 3.247
97 HA PRO 14 HA PRO 14 -13.825 3.937 -2.134
98 HB2 PRO 14 HB2 PRO 14 -15.896 5.519 -0.667
99 HB3 PRO 14 HB1 PRO 14 -15.469 5.552 -2.387
100 HG2 PRO 14 HG2 PRO 14 -17.678 4.350 -1.536
101 HG3 PRO 14 HG1 PRO 14 -16.723 3.707 -2.889
102 HD2 PRO 14 HD2 PRO 14 -16.978 2.682 -0.115
103 HD3 PRO 14 HD1 PRO 14 -16.616 1.811 -1.615
104 H GLU 15 HN GLU 15 -14.602 3.927 1.269
105 HA GLU 15 HA GLU 15 -13.021 6.166 2.016
106 HB2 GLU 15 HB2 GLU 15 -13.966 3.834 3.689
107 HB3 GLU 15 HB1 GLU 15 -13.405 5.386 4.296
108 HG2 GLU 15 HG2 GLU 15 -15.302 6.505 3.413
109 HG3 GLU 15 HG1 GLU 15 -15.794 5.074 2.509
110 H LYS 16 HN LYS 16 -12.518 2.649 2.247
111 HA LYS 16 HA LYS 16 -9.872 2.979 3.325
112 HB2 LYS 16 HB2 LYS 16 -11.352 1.123 4.023
113 HB3 LYS 16 HB1 LYS 16 -11.301 0.479 2.383
114 HG2 LYS 16 HG2 LYS 16 -9.808 -0.780 3.770
115 HG3 LYS 16 HG1 LYS 16 -8.855 0.173 2.631
116 HD2 LYS 16 HD2 LYS 16 -8.373 1.809 4.345
117 HD3 LYS 16 HD1 LYS 16 -9.426 0.969 5.484
118 HE2 LYS 16 HE2 LYS 16 -7.956 -0.990 5.384
119 HE3 LYS 16 HE1 LYS 16 -6.901 -0.135 4.259
120 HZ1 LYS 16 HZ1 LYS 16 -6.399 1.471 5.951
121 HZ2 LYS 16 HZ2 LYS 16 -6.101 -0.073 6.566
122 HZ3 LYS 16 HZ3 LYS 16 -7.496 0.765 7.026
123 H LEU 17 HN LEU 17 -11.325 2.412 0.225
124 HA LEU 17 HA LEU 17 -9.117 1.343 -1.145
125 HB2 LEU 17 HB2 LEU 17 -11.479 1.358 -1.939
126 HB3 LEU 17 HB1 LEU 17 -11.324 3.077 -2.248
127 HG LEU 17 HG LEU 17 -9.635 2.633 -3.959
128 HD11 LEU 17 HD11 LEU 17 -8.623 0.638 -3.047
129 HD12 LEU 17 HD12 LEU 17 -9.229 0.301 -4.669
130 HD13 LEU 17 HD13 LEU 17 -10.127 -0.258 -3.256
131 HD21 LEU 17 HD21 LEU 17 -12.140 0.986 -4.254
132 HD22 LEU 17 HD22 LEU 17 -11.110 1.538 -5.577
133 HD23 LEU 17 HD23 LEU 17 -11.983 2.711 -4.590
134 H ALA 18 HN ALA 18 -10.138 4.647 -0.518
135 HA ALA 18 HA ALA 18 -8.157 5.897 -2.122
136 HB1 ALA 18 HB1 ALA 18 -10.216 7.038 -1.487
137 HB2 ALA 18 HB2 ALA 18 -8.804 7.943 -0.947
138 HB3 ALA 18 HB3 ALA 18 -9.734 6.986 0.207
139 H LYS 19 HN LYS 19 -8.407 5.126 1.324
140 HA LYS 19 HA LYS 19 -5.911 6.227 2.058
141 HB2 LYS 19 HB2 LYS 19 -7.725 5.668 3.669
142 HB3 LYS 19 HB1 LYS 19 -7.403 3.960 3.395
143 HG2 LYS 19 HG2 LYS 19 -5.147 4.228 4.260
144 HG3 LYS 19 HG1 LYS 19 -5.437 5.949 4.513
145 HD2 LYS 19 HD2 LYS 19 -7.016 3.740 5.824
146 HD3 LYS 19 HD1 LYS 19 -5.654 4.572 6.574
147 HE2 LYS 19 HE2 LYS 19 -6.875 6.707 6.336
148 HE3 LYS 19 HE1 LYS 19 -8.248 5.821 5.675
149 HZ1 LYS 19 HZ1 LYS 19 -8.528 6.285 8.030
150 HZ2 LYS 19 HZ2 LYS 19 -7.105 5.448 8.389
151 HZ3 LYS 19 HZ3 LYS 19 -8.436 4.619 7.757
152 HA 4PH 20 HA 4PH 20 -4.542 1.685 1.158
153 HB2 4PH 20 HB1 4PH 20 -6.628 1.529 -1.019
154 HB3 4PH 20 HB2 4PH 20 -6.551 0.560 0.447
155 HD2 4PH 20 HD2 4PH 20 -4.351 -0.850 0.723
156 HD1 4PH 20 HD1 4PH 20 -5.833 0.638 -2.972
157 HE2 4PH 20 HE2 4PH 20 -3.044 -2.541 -0.480
158 HE1 4PH 20 HE1 4PH 20 -4.522 -1.053 -4.186
159 H33 4PH 20 H33 4PH 20 -3.470 -3.748 -3.186
160 H33A 4PH 20 H33A 4PH 20 -2.670 -2.440 -4.060
161 H33B 4PH 20 H33B 4PH 20 -2.020 -3.011 -2.518
162 H 4PH 20 HN 4PH 20 -6.902 3.130 0.777
163 H GLN 21 HN GLN 21 -5.546 3.777 -1.541
164 HA GLN 21 HA GLN 21 -3.238 3.466 -3.101
165 HB2 GLN 21 HB2 GLN 21 -5.143 5.797 -2.843
166 HB3 GLN 21 HB1 GLN 21 -3.863 5.717 -4.048
167 HG2 GLN 21 HG2 GLN 21 -6.086 3.709 -3.769
168 HG3 GLN 21 HG1 GLN 21 -6.072 5.050 -4.916
169 HE21 GLN 21 HE21 GLN 21 -4.636 1.982 -4.077
170 HE22 GLN 21 HE22 GLN 21 -3.865 1.706 -5.595
171 H ALA 22 HN ALA 22 -3.922 5.526 -0.353
172 HA ALA 22 HA ALA 22 -1.507 7.026 -0.483
173 HB1 ALA 22 HB1 ALA 22 -2.089 7.735 1.784
174 HB2 ALA 22 HB2 ALA 22 -3.362 6.513 1.833
175 HB3 ALA 22 HB3 ALA 22 -3.467 7.851 0.690
176 H ASP 23 HN ASP 23 -2.449 3.976 0.918
177 HA ASP 23 HA ASP 23 -0.149 3.592 2.551
178 HB2 ASP 23 HB2 ASP 23 -2.379 2.296 2.637
179 HB3 ASP 23 HB1 ASP 23 -1.735 1.360 1.292
180 H LEU 24 HN LEU 24 -0.981 2.754 -0.773
181 HA LEU 24 HA LEU 24 1.369 1.389 -1.443
182 HB2 LEU 24 HB2 LEU 24 -0.662 2.904 -3.015
183 HB3 LEU 24 HB1 LEU 24 0.847 2.473 -3.799
184 HG LEU 24 HG LEU 24 -0.988 0.868 -4.233
185 HD11 LEU 24 HD11 LEU 24 1.357 0.166 -4.366
186 HD12 LEU 24 HD12 LEU 24 0.308 -1.145 -3.821
187 HD13 LEU 24 HD13 LEU 24 1.314 -0.280 -2.661
188 HD21 LEU 24 HD21 LEU 24 -0.726 0.244 -1.301
189 HD22 LEU 24 HD22 LEU 24 -1.710 -0.633 -2.474
190 HD23 LEU 24 HD23 LEU 24 -2.102 1.037 -2.066
191 H ALA 25 HN ALA 25 0.673 4.825 -1.264
192 HA ALA 25 HA ALA 25 3.040 5.755 -2.472
193 HB1 ALA 25 HB1 ALA 25 2.587 7.861 -1.325
194 HB2 ALA 25 HB2 ALA 25 1.397 7.055 -0.305
195 HB3 ALA 25 HB3 ALA 25 1.117 7.200 -2.039
196 H LYS 26 HN LYS 26 2.312 4.661 0.782
197 HA LYS 26 HA LYS 26 4.782 5.398 1.964
198 HB2 LYS 26 HB2 LYS 26 2.899 3.141 2.692
199 HB3 LYS 26 HB1 LYS 26 4.200 3.745 3.704
200 HG2 LYS 26 HG2 LYS 26 3.072 5.901 3.879
201 HG3 LYS 26 HG1 LYS 26 1.775 5.308 2.840
202 HD2 LYS 26 HD2 LYS 26 1.276 3.551 4.487
203 HD3 LYS 26 HD1 LYS 26 2.557 4.175 5.526
204 HE2 LYS 26 HE2 LYS 26 1.343 6.345 5.607
205 HE3 LYS 26 HE1 LYS 26 0.028 5.593 4.706
206 HZ1 LYS 26 HZ1 LYS 26 -0.418 5.577 7.073
207 HZ2 LYS 26 HZ2 LYS 26 1.018 4.737 7.374
208 HZ3 LYS 26 HZ3 LYS 26 -0.230 3.994 6.509
209 HA 4PH 27 HA 4PH 27 5.877 0.903 0.782
210 HB2 4PH 27 HB1 4PH 27 3.563 0.760 -1.145
211 HB3 4PH 27 HB2 4PH 27 3.823 -0.199 0.301
212 HD2 4PH 27 HD2 4PH 27 3.871 -0.283 -3.139
213 HD1 4PH 27 HD1 4PH 27 6.128 -1.596 0.220
214 HE2 4PH 27 HE2 4PH 27 4.869 -2.057 -4.511
215 HE1 4PH 27 HE1 4PH 27 7.132 -3.378 -1.150
216 H33 4PH 27 H33 4PH 27 6.017 -4.718 -3.614
217 H33A 4PH 27 H33A 4PH 27 6.684 -3.504 -4.710
218 H33B 4PH 27 H33B 4PH 27 7.615 -4.047 -3.308
219 H 4PH 27 HN 4PH 27 3.585 2.504 0.382
220 H GLN 28 HN GLN 28 4.777 2.821 -2.010
221 HA GLN 28 HA GLN 28 6.907 2.076 -3.700
222 HB2 GLN 28 HB2 GLN 28 5.075 4.473 -3.758
223 HB3 GLN 28 HB1 GLN 28 6.248 4.117 -5.020
224 HG2 GLN 28 HG2 GLN 28 3.970 2.323 -4.190
225 HG3 GLN 28 HG1 GLN 28 3.993 3.363 -5.609
226 HE21 GLN 28 HE21 GLN 28 3.670 0.493 -5.477
227 HE22 GLN 28 HE22 GLN 28 4.951 -0.189 -6.411
228 H LYS 29 HN LYS 29 6.547 4.680 -1.371
229 HA LYS 29 HA LYS 29 8.880 6.102 -2.182
230 HB2 LYS 29 HB2 LYS 29 6.962 7.088 -0.891
231 HB3 LYS 29 HB1 LYS 29 7.516 6.190 0.515
232 HG2 LYS 29 HG2 LYS 29 9.743 7.384 0.195
233 HG3 LYS 29 HG1 LYS 29 8.877 8.448 -0.913
234 HD2 LYS 29 HD2 LYS 29 8.230 7.982 1.996
235 HD3 LYS 29 HD1 LYS 29 8.970 9.427 1.308
236 HE2 LYS 29 HE2 LYS 29 6.947 9.839 0.002
237 HE3 LYS 29 HE1 LYS 29 6.209 8.390 0.685
238 HZ1 LYS 29 HZ1 LYS 29 5.456 10.357 1.839
239 HZ2 LYS 29 HZ2 LYS 29 7.048 10.801 2.203
240 HZ3 LYS 29 HZ3 LYS 29 6.384 9.402 2.885
241 H ASP 30 HN ASP 30 8.186 3.745 0.381
242 HA ASP 30 HA ASP 30 10.835 3.913 1.475
243 HB2 ASP 30 HB2 ASP 30 8.763 3.280 2.783
244 HB3 ASP 30 HB1 ASP 30 8.800 1.725 1.960
245 H LEU 31 HN LEU 31 9.221 1.895 -0.876
246 HA LEU 31 HA LEU 31 11.104 -0.185 -1.048
247 HB2 LEU 31 HB2 LEU 31 8.793 -0.089 -2.092
248 HB3 LEU 31 HB1 LEU 31 9.491 0.935 -3.333
249 HG LEU 31 HG LEU 31 11.099 -0.951 -3.832
250 HD11 LEU 31 HD11 LEU 31 10.367 -3.195 -3.123
251 HD12 LEU 31 HD12 LEU 31 9.171 -2.442 -2.065
252 HD13 LEU 31 HD13 LEU 31 10.892 -2.186 -1.775
253 HD21 LEU 31 HD21 LEU 31 9.452 -2.194 -5.147
254 HD22 LEU 31 HD22 LEU 31 9.195 -0.454 -5.258
255 HD23 LEU 31 HD23 LEU 31 8.151 -1.436 -4.231
256 H ALA 32 HN ALA 32 11.044 3.043 -2.328
257 HA ALA 32 HA ALA 32 12.991 2.842 -4.318
258 HB1 ALA 32 HB1 ALA 32 13.215 5.257 -4.098
259 HB2 ALA 32 HB2 ALA 32 12.364 5.203 -2.552
260 HB3 ALA 32 HB3 ALA 32 11.518 4.776 -4.041
261 H ASP 33 HN ASP 33 13.277 3.450 -0.850
262 HA ASP 33 HA ASP 33 16.093 3.901 -0.880
263 HB2 ASP 33 HB2 ASP 33 14.594 4.695 0.944
264 HB3 ASP 33 HB1 ASP 33 14.356 3.023 1.440
265 HA 4PH 34 HA 4PH 34 16.106 -0.694 0.142
266 HB2 4PH 34 HB1 4PH 34 13.501 -1.310 -1.262
267 HB3 4PH 34 HB2 4PH 34 13.648 -1.032 0.466
268 HD2 4PH 34 HD2 4PH 34 13.557 -3.483 -2.039
269 HD1 4PH 34 HD1 4PH 34 15.390 -2.564 1.691
270 HE2 4PH 34 HE2 4PH 34 14.000 -5.872 -1.673
271 HE1 4PH 34 HE1 4PH 34 15.832 -4.952 2.065
272 H33 4PH 34 H33 4PH 34 14.423 -7.493 -0.053
273 H33A 4PH 34 H33A 4PH 34 16.156 -7.168 0.024
274 H33B 4PH 34 H33B 4PH 34 15.172 -7.107 1.493
275 H 4PH 34 HN 4PH 34 14.104 1.109 -0.855
276 HN1 NH2 35 HN1 NH2 35 17.817 -0.308 -1.291
277 HN2 NH2 35 HN2 NH2 35 17.818 -0.922 -2.906
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 14.555 -3.388 6.069
2 H2 ACE 0 HA2 ACE 0 13.321 -3.013 4.868
3 H3 ACE 0 HA3 ACE 0 14.687 -4.024 4.401
4 HA PRO 1 HA PRO 1 13.171 -5.277 2.801
5 HB2 PRO 1 HB2 PRO 1 11.930 -7.756 2.452
6 HB3 PRO 1 HB1 PRO 1 13.652 -7.427 2.178
7 HG2 PRO 1 HG2 PRO 1 12.316 -8.655 4.529
8 HG3 PRO 1 HG1 PRO 1 13.885 -9.035 3.784
9 HD2 PRO 1 HD2 PRO 1 13.730 -7.630 6.064
10 HD3 PRO 1 HD1 PRO 1 14.966 -7.284 4.838
11 HA PRO 2 HA PRO 2 9.048 -3.922 3.933
12 HB2 PRO 2 HB2 PRO 2 8.525 -2.602 1.574
13 HB3 PRO 2 HB1 PRO 2 9.501 -1.911 2.889
14 HG2 PRO 2 HG2 PRO 2 10.380 -3.184 0.356
15 HG3 PRO 2 HG1 PRO 2 11.043 -1.777 1.212
16 HD2 PRO 2 HD2 PRO 2 12.183 -4.242 1.321
17 HD3 PRO 2 HD1 PRO 2 12.287 -3.071 2.651
18 H THR 3 HN THR 3 7.074 -4.842 3.653
19 HA THR 3 HA THR 3 6.828 -6.843 1.537
20 HB THR 3 HB THR 3 4.739 -7.494 2.858
21 HG1 THR 3 HG1 THR 3 4.257 -6.147 4.410
22 HG21 THR 3 HG21 THR 3 7.438 -7.716 4.189
23 HG22 THR 3 HG22 THR 3 6.799 -8.789 2.943
24 HG23 THR 3 HG23 THR 3 6.039 -8.730 4.534
25 H LYS 4 HN LYS 4 5.243 -6.794 0.012
26 HA LYS 4 HA LYS 4 4.038 -4.251 -0.516
27 HB2 LYS 4 HB2 LYS 4 3.281 -5.173 -2.567
28 HB3 LYS 4 HB1 LYS 4 4.849 -5.912 -2.278
29 HG2 LYS 4 HG2 LYS 4 3.798 -7.940 -1.519
30 HG3 LYS 4 HG1 LYS 4 2.200 -7.200 -1.672
31 HD2 LYS 4 HD2 LYS 4 2.644 -6.891 -4.099
32 HD3 LYS 4 HD1 LYS 4 4.153 -7.781 -3.896
33 HE2 LYS 4 HE2 LYS 4 2.919 -9.741 -3.159
34 HE3 LYS 4 HE1 LYS 4 1.401 -8.853 -3.287
35 HZ1 LYS 4 HZ1 LYS 4 1.787 -8.625 -5.664
36 HZ2 LYS 4 HZ2 LYS 4 1.755 -10.254 -5.210
37 HZ3 LYS 4 HZ3 LYS 4 3.232 -9.495 -5.535
38 HA PRO 5 HA PRO 5 0.138 -4.925 1.506
39 HB2 PRO 5 HB2 PRO 5 -1.427 -3.258 0.074
40 HB3 PRO 5 HB1 PRO 5 -0.185 -2.649 1.182
41 HG2 PRO 5 HG2 PRO 5 -0.059 -2.979 -1.778
42 HG3 PRO 5 HG1 PRO 5 0.449 -1.601 -0.781
43 HD2 PRO 5 HD2 PRO 5 2.210 -3.407 -1.702
44 HD3 PRO 5 HD1 PRO 5 2.402 -2.610 -0.126
45 H THR 6 HN THR 6 -1.945 -5.849 1.172
46 HA THR 6 HA THR 6 -2.077 -7.531 -1.204
47 HB THR 6 HB THR 6 -2.360 -8.609 0.996
48 HG1 THR 6 HG1 THR 6 -4.779 -9.267 0.281
49 HG21 THR 6 HG21 THR 6 -4.887 -6.973 1.168
50 HG22 THR 6 HG22 THR 6 -3.468 -6.800 2.198
51 HG23 THR 6 HG23 THR 6 -4.433 -8.274 2.266
52 H LYS 7 HN LYS 7 -3.995 -7.713 -2.439
53 HA LYS 7 HA LYS 7 -5.106 -5.149 -3.064
54 HB2 LYS 7 HB2 LYS 7 -5.763 -7.887 -4.171
55 HB3 LYS 7 HB1 LYS 7 -6.311 -6.361 -4.847
56 HG2 LYS 7 HG2 LYS 7 -3.456 -7.297 -4.658
57 HG3 LYS 7 HG1 LYS 7 -4.448 -7.247 -6.115
58 HD2 LYS 7 HD2 LYS 7 -4.666 -4.770 -5.764
59 HD3 LYS 7 HD1 LYS 7 -3.470 -4.921 -4.472
60 HE2 LYS 7 HE2 LYS 7 -2.365 -4.223 -6.493
61 HE3 LYS 7 HE1 LYS 7 -1.878 -5.873 -6.107
62 HZ1 LYS 7 HZ1 LYS 7 -3.933 -5.105 -8.110
63 HZ2 LYS 7 HZ2 LYS 7 -3.446 -6.685 -7.751
64 HZ3 LYS 7 HZ3 LYS 7 -2.357 -5.607 -8.459
65 HA PRO 8 HA PRO 8 -8.623 -5.568 -0.282
66 HB2 PRO 8 HB2 PRO 8 -9.585 -3.192 -1.754
67 HB3 PRO 8 HB1 PRO 8 -9.274 -3.390 -0.017
68 HG2 PRO 8 HG2 PRO 8 -7.696 -1.904 -1.575
69 HG3 PRO 8 HG1 PRO 8 -7.053 -2.846 -0.216
70 HD2 PRO 8 HD2 PRO 8 -6.955 -3.445 -3.145
71 HD3 PRO 8 HD1 PRO 8 -5.724 -3.716 -1.888
72 H GLY 9 HN GLY 9 -10.298 -6.883 -0.644
73 HA2 GLY 9 HA2 GLY 9 -11.381 -7.062 -3.363
74 HA3 GLY 9 HA1 GLY 9 -11.586 -8.262 -2.097
75 H ASP 10 HN ASP 10 -12.876 -7.485 -0.171
76 HA ASP 10 HA ASP 10 -15.272 -6.153 -1.184
77 HB2 ASP 10 HB2 ASP 10 -15.636 -8.287 -0.087
78 HB3 ASP 10 HB1 ASP 10 -14.792 -7.732 1.354
79 H ASN 11 HN ASN 11 -12.711 -5.761 1.160
80 HA ASN 11 HA ASN 11 -13.911 -3.474 2.422
81 HB2 ASN 11 HB2 ASN 11 -11.863 -3.229 3.668
82 HB3 ASN 11 HB1 ASN 11 -12.291 -4.932 3.629
83 HD21 ASN 11 HD21 ASN 11 -10.927 -6.368 2.664
84 HD22 ASN 11 HD22 ASN 11 -9.363 -5.942 2.071
85 H ALA 12 HN ALA 12 -13.068 -3.746 -0.567
86 HA ALA 12 HA ALA 12 -11.272 -1.581 -1.032
87 HB1 ALA 12 HB1 ALA 12 -13.142 -2.982 -2.934
88 HB2 ALA 12 HB2 ALA 12 -11.486 -3.470 -2.575
89 HB3 ALA 12 HB3 ALA 12 -11.798 -1.931 -3.382
90 H THR 13 HN THR 13 -13.741 -1.031 0.539
91 HA THR 13 HA THR 13 -15.595 0.489 -0.906
92 HB THR 13 HB THR 13 -16.027 1.623 1.297
93 HG1 THR 13 HG1 THR 13 -14.483 -0.194 2.688
94 HG21 THR 13 HG21 THR 13 -15.906 -1.391 1.368
95 HG22 THR 13 HG22 THR 13 -17.188 -0.433 0.633
96 HG23 THR 13 HG23 THR 13 -16.928 -0.367 2.376
97 HA PRO 14 HA PRO 14 -13.495 3.954 -2.540
98 HB2 PRO 14 HB2 PRO 14 -15.650 5.545 -1.199
99 HB3 PRO 14 HB1 PRO 14 -15.074 5.624 -2.874
100 HG2 PRO 14 HG2 PRO 14 -17.349 4.399 -2.240
101 HG3 PRO 14 HG1 PRO 14 -16.288 3.807 -3.537
102 HD2 PRO 14 HD2 PRO 14 -16.810 2.643 -0.873
103 HD3 PRO 14 HD1 PRO 14 -16.218 1.865 -2.351
104 H GLU 15 HN GLU 15 -14.619 4.331 0.814
105 HA GLU 15 HA GLU 15 -12.858 6.521 1.347
106 HB2 GLU 15 HB2 GLU 15 -14.590 4.794 3.088
107 HB3 GLU 15 HB1 GLU 15 -13.540 6.031 3.763
108 HG2 GLU 15 HG2 GLU 15 -14.702 7.751 2.587
109 HG3 GLU 15 HG1 GLU 15 -15.637 6.566 1.681
110 H LYS 16 HN LYS 16 -12.673 3.052 1.823
111 HA LYS 16 HA LYS 16 -10.206 3.297 3.338
112 HB2 LYS 16 HB2 LYS 16 -11.852 1.562 3.961
113 HB3 LYS 16 HB1 LYS 16 -11.652 0.814 2.377
114 HG2 LYS 16 HG2 LYS 16 -9.304 0.364 2.888
115 HG3 LYS 16 HG1 LYS 16 -9.504 1.115 4.472
116 HD2 LYS 16 HD2 LYS 16 -11.213 -0.581 5.017
117 HD3 LYS 16 HD1 LYS 16 -10.916 -1.351 3.459
118 HE2 LYS 16 HE2 LYS 16 -8.880 -0.975 5.653
119 HE3 LYS 16 HE1 LYS 16 -9.724 -2.476 5.283
120 HZ1 LYS 16 HZ1 LYS 16 -8.696 -2.473 3.096
121 HZ2 LYS 16 HZ2 LYS 16 -7.520 -2.444 4.314
122 HZ3 LYS 16 HZ3 LYS 16 -7.880 -1.032 3.458
123 H LEU 17 HN LEU 17 -11.319 2.493 0.134
124 HA LEU 17 HA LEU 17 -8.962 1.367 -0.898
125 HB2 LEU 17 HB2 LEU 17 -11.221 1.320 -1.966
126 HB3 LEU 17 HB1 LEU 17 -11.017 3.014 -2.367
127 HG LEU 17 HG LEU 17 -9.112 2.443 -3.808
128 HD11 LEU 17 HD11 LEU 17 -8.313 0.464 -2.652
129 HD12 LEU 17 HD12 LEU 17 -8.672 0.081 -4.333
130 HD13 LEU 17 HD13 LEU 17 -9.793 -0.397 -3.059
131 HD21 LEU 17 HD21 LEU 17 -11.367 2.547 -4.729
132 HD22 LEU 17 HD22 LEU 17 -11.604 0.841 -4.348
133 HD23 LEU 17 HD23 LEU 17 -10.403 1.319 -5.551
134 H ALA 18 HN ALA 18 -10.029 4.649 -0.437
135 HA ALA 18 HA ALA 18 -7.951 5.937 -1.862
136 HB1 ALA 18 HB1 ALA 18 -8.654 7.942 -0.652
137 HB2 ALA 18 HB2 ALA 18 -9.647 6.946 0.414
138 HB3 ALA 18 HB3 ALA 18 -10.037 7.059 -1.300
139 H LYS 19 HN LYS 19 -8.393 5.049 1.538
140 HA LYS 19 HA LYS 19 -5.938 6.086 2.465
141 HB2 LYS 19 HB2 LYS 19 -7.800 5.506 3.969
142 HB3 LYS 19 HB1 LYS 19 -7.591 3.805 3.578
143 HG2 LYS 19 HG2 LYS 19 -6.595 4.293 5.721
144 HG3 LYS 19 HG1 LYS 19 -5.343 3.863 4.554
145 HD2 LYS 19 HD2 LYS 19 -4.890 6.267 4.202
146 HD3 LYS 19 HD1 LYS 19 -6.085 6.650 5.443
147 HE2 LYS 19 HE2 LYS 19 -4.772 5.432 7.095
148 HE3 LYS 19 HE1 LYS 19 -3.593 5.006 5.856
149 HZ1 LYS 19 HZ1 LYS 19 -4.200 7.725 6.878
150 HZ2 LYS 19 HZ2 LYS 19 -3.200 7.419 5.555
151 HZ3 LYS 19 HZ3 LYS 19 -2.767 6.852 7.087
152 HA 4PH 20 HA 4PH 20 -4.529 1.555 1.475
153 HB2 4PH 20 HB1 4PH 20 -6.550 1.488 -0.770
154 HB3 4PH 20 HB2 4PH 20 -6.549 0.487 0.672
155 HD2 4PH 20 HD2 4PH 20 -4.501 -1.078 0.981
156 HD1 4PH 20 HD1 4PH 20 -5.625 0.696 -2.712
157 HE2 4PH 20 HE2 4PH 20 -3.230 -2.798 -0.227
158 HE1 4PH 20 HE1 4PH 20 -4.356 -1.016 -3.929
159 H33 4PH 20 H33 4PH 20 -1.966 -2.621 -2.973
160 H33A 4PH 20 H33A 4PH 20 -2.983 -3.895 -2.285
161 H33B 4PH 20 H33B 4PH 20 -3.430 -3.121 -3.812
162 H 4PH 20 HN 4PH 20 -6.890 2.981 1.125
163 H GLN 21 HN GLN 21 -5.467 3.799 -1.117
164 HA GLN 21 HA GLN 21 -3.163 3.572 -2.690
165 HB2 GLN 21 HB2 GLN 21 -4.957 5.963 -2.250
166 HB3 GLN 21 HB1 GLN 21 -3.751 5.841 -3.523
167 HG2 GLN 21 HG2 GLN 21 -6.108 4.004 -3.190
168 HG3 GLN 21 HG1 GLN 21 -6.028 5.368 -4.307
169 HE21 GLN 21 HE21 GLN 21 -4.852 2.170 -3.599
170 HE22 GLN 21 HE22 GLN 21 -4.195 1.853 -5.159
171 H ALA 22 HN ALA 22 -3.807 5.427 0.207
172 HA ALA 22 HA ALA 22 -1.500 7.063 0.126
173 HB1 ALA 22 HB1 ALA 22 -3.152 6.191 2.489
174 HB2 ALA 22 HB2 ALA 22 -3.464 7.601 1.475
175 HB3 ALA 22 HB3 ALA 22 -2.004 7.530 2.463
176 H ASP 23 HN ASP 23 -2.213 3.923 1.571
177 HA ASP 23 HA ASP 23 0.305 3.623 2.861
178 HB2 ASP 23 HB2 ASP 23 -1.775 2.276 3.389
179 HB3 ASP 23 HB1 ASP 23 -1.469 1.371 1.909
180 H LEU 24 HN LEU 24 -0.915 2.774 -0.335
181 HA LEU 24 HA LEU 24 1.356 1.428 -1.279
182 HB2 LEU 24 HB2 LEU 24 -0.855 2.933 -2.593
183 HB3 LEU 24 HB1 LEU 24 0.567 2.552 -3.547
184 HG LEU 24 HG LEU 24 -1.324 0.930 -3.780
185 HD11 LEU 24 HD11 LEU 24 1.251 -0.190 -2.679
186 HD12 LEU 24 HD12 LEU 24 0.980 0.329 -4.342
187 HD13 LEU 24 HD13 LEU 24 0.087 -1.048 -3.693
188 HD21 LEU 24 HD21 LEU 24 -2.091 0.932 -1.473
189 HD22 LEU 24 HD22 LEU 24 -0.568 0.206 -0.956
190 HD23 LEU 24 HD23 LEU 24 -1.669 -0.698 -1.998
191 H ALA 25 HN ALA 25 0.614 4.844 -1.016
192 HA ALA 25 HA ALA 25 2.830 5.825 -2.457
193 HB1 ALA 25 HB1 ALA 25 2.410 7.931 -1.289
194 HB2 ALA 25 HB2 ALA 25 1.336 7.095 -0.167
195 HB3 ALA 25 HB3 ALA 25 0.908 7.213 -1.873
196 H LYS 26 HN LYS 26 2.399 4.888 0.916
197 HA LYS 26 HA LYS 26 4.994 5.610 1.791
198 HB2 LYS 26 HB2 LYS 26 3.036 3.549 2.823
199 HB3 LYS 26 HB1 LYS 26 4.551 3.929 3.622
200 HG2 LYS 26 HG2 LYS 26 2.315 5.875 3.116
201 HG3 LYS 26 HG1 LYS 26 2.644 5.064 4.647
202 HD2 LYS 26 HD2 LYS 26 4.957 6.111 4.527
203 HD3 LYS 26 HD1 LYS 26 4.319 7.116 3.223
204 HE2 LYS 26 HE2 LYS 26 4.115 8.366 5.238
205 HE3 LYS 26 HE1 LYS 26 2.498 7.826 4.790
206 HZ1 LYS 26 HZ1 LYS 26 2.800 7.491 7.118
207 HZ2 LYS 26 HZ2 LYS 26 4.251 6.655 6.878
208 HZ3 LYS 26 HZ3 LYS 26 2.788 5.970 6.380
209 HA 4PH 27 HA 4PH 27 5.874 0.985 0.868
210 HB2 4PH 27 HB1 4PH 27 3.453 0.800 -0.918
211 HB3 4PH 27 HB2 4PH 27 3.804 -0.127 0.531
212 HD2 4PH 27 HD2 4PH 27 3.667 -0.263 -2.919
213 HD1 4PH 27 HD1 4PH 27 6.086 -1.549 0.342
214 HE2 4PH 27 HE2 4PH 27 4.611 -2.037 -4.326
215 HE1 4PH 27 HE1 4PH 27 7.028 -3.332 -1.063
216 H33 4PH 27 H33 4PH 27 7.440 -3.977 -3.254
217 H33A 4PH 27 H33A 4PH 27 5.837 -4.668 -3.527
218 H33B 4PH 27 H33B 4PH 27 6.462 -3.414 -4.604
219 H 4PH 27 HN 4PH 27 3.591 2.590 0.598
220 H GLN 28 HN GLN 28 4.701 2.847 -1.930
221 HA GLN 28 HA GLN 28 6.751 1.971 -3.668
222 HB2 GLN 28 HB2 GLN 28 4.921 4.366 -3.765
223 HB3 GLN 28 HB1 GLN 28 6.079 3.987 -5.037
224 HG2 GLN 28 HG2 GLN 28 3.845 2.186 -4.115
225 HG3 GLN 28 HG1 GLN 28 3.823 3.187 -5.562
226 HE21 GLN 28 HE21 GLN 28 3.562 0.311 -5.332
227 HE22 GLN 28 HE22 GLN 28 4.834 -0.375 -6.276
228 H LYS 29 HN LYS 29 6.473 4.783 -1.544
229 HA LYS 29 HA LYS 29 8.850 6.041 -2.451
230 HB2 LYS 29 HB2 LYS 29 7.036 7.213 -1.207
231 HB3 LYS 29 HB1 LYS 29 7.498 6.326 0.241
232 HG2 LYS 29 HG2 LYS 29 9.731 7.357 0.126
233 HG3 LYS 29 HG1 LYS 29 9.203 8.294 -1.273
234 HD2 LYS 29 HD2 LYS 29 7.402 9.266 0.145
235 HD3 LYS 29 HD1 LYS 29 8.099 8.425 1.529
236 HE2 LYS 29 HE2 LYS 29 9.481 10.493 -0.176
237 HE3 LYS 29 HE1 LYS 29 8.840 10.748 1.445
238 HZ1 LYS 29 HZ1 LYS 29 11.229 10.380 1.470
239 HZ2 LYS 29 HZ2 LYS 29 11.031 8.872 0.736
240 HZ3 LYS 29 HZ3 LYS 29 10.426 9.140 2.290
241 H ASP 30 HN ASP 30 8.126 3.791 0.175
242 HA ASP 30 HA ASP 30 10.768 3.851 1.259
243 HB2 ASP 30 HB2 ASP 30 8.841 3.234 2.654
244 HB3 ASP 30 HB1 ASP 30 8.570 1.806 1.661
245 H LEU 31 HN LEU 31 9.101 1.829 -1.083
246 HA LEU 31 HA LEU 31 11.022 -0.216 -1.290
247 HB2 LEU 31 HB2 LEU 31 8.599 0.031 -2.281
248 HB3 LEU 31 HB1 LEU 31 9.431 0.742 -3.646
249 HG LEU 31 HG LEU 31 8.873 -1.655 -3.950
250 HD11 LEU 31 HD11 LEU 31 11.059 -2.370 -4.769
251 HD12 LEU 31 HD12 LEU 31 11.820 -1.046 -3.885
252 HD13 LEU 31 HD13 LEU 31 10.710 -0.699 -5.211
253 HD21 LEU 31 HD21 LEU 31 10.025 -3.353 -2.716
254 HD22 LEU 31 HD22 LEU 31 9.187 -2.290 -1.583
255 HD23 LEU 31 HD23 LEU 31 10.931 -2.141 -1.811
256 H ALA 32 HN ALA 32 10.644 2.857 -2.992
257 HA ALA 32 HA ALA 32 12.833 2.587 -4.736
258 HB1 ALA 32 HB1 ALA 32 11.594 5.098 -3.621
259 HB2 ALA 32 HB2 ALA 32 11.064 4.235 -5.065
260 HB3 ALA 32 HB3 ALA 32 12.651 5.004 -5.029
261 H ASP 33 HN ASP 33 12.534 3.982 -1.509
262 HA ASP 33 HA ASP 33 15.184 4.914 -1.260
263 HB2 ASP 33 HB2 ASP 33 13.447 5.666 0.270
264 HB3 ASP 33 HB1 ASP 33 13.220 4.027 0.866
265 HA 4PH 34 HA 4PH 34 15.947 0.613 0.618
266 HB2 4PH 34 HB1 4PH 34 13.637 -0.714 -0.812
267 HB3 4PH 34 HB2 4PH 34 13.595 -0.182 0.863
268 HD2 4PH 34 HD2 4PH 34 14.202 -2.908 -1.263
269 HD1 4PH 34 HD1 4PH 34 15.485 -1.137 2.386
270 HE2 4PH 34 HE2 4PH 34 15.078 -5.079 -0.520
271 HE1 4PH 34 HE1 4PH 34 16.363 -3.306 3.135
272 H33 4PH 34 H33 4PH 34 17.274 -5.673 1.472
273 H33A 4PH 34 H33A 4PH 34 16.184 -5.614 2.859
274 H33B 4PH 34 H33B 4PH 34 15.650 -6.339 1.338
275 H 4PH 34 HN 4PH 34 13.687 1.815 -0.595
276 HN1 NH2 35 HN1 NH2 35 14.649 0.604 -2.663
277 HN2 NH2 35 HN2 NH2 35 16.071 -0.016 -3.425
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 14.520 -3.080 4.057
2 H2 ACE 0 HA2 ACE 0 14.259 -1.889 5.329
3 H3 ACE 0 HA3 ACE 0 13.219 -1.860 3.908
4 HA PRO 1 HA PRO 1 12.548 -4.383 2.595
5 HB2 PRO 1 HB2 PRO 1 11.008 -6.746 3.558
6 HB3 PRO 1 HB1 PRO 1 12.151 -6.622 2.206
7 HG2 PRO 1 HG2 PRO 1 12.839 -7.861 4.430
8 HG3 PRO 1 HG1 PRO 1 14.000 -6.838 3.554
9 HD2 PRO 1 HD2 PRO 1 12.480 -6.242 6.063
10 HD3 PRO 1 HD1 PRO 1 14.149 -5.815 5.618
11 HA PRO 2 HA PRO 2 8.643 -2.216 3.258
12 HB2 PRO 2 HB2 PRO 2 8.594 -2.242 0.303
13 HB3 PRO 2 HB1 PRO 2 8.545 -0.860 1.415
14 HG2 PRO 2 HG2 PRO 2 10.693 -1.431 -0.065
15 HG3 PRO 2 HG1 PRO 2 10.803 -0.699 1.545
16 HD2 PRO 2 HD2 PRO 2 11.372 -3.493 0.698
17 HD3 PRO 2 HD1 PRO 2 12.131 -2.514 1.971
18 H THR 3 HN THR 3 7.109 -3.627 3.902
19 HA THR 3 HA THR 3 6.382 -5.939 2.416
20 HB THR 3 HB THR 3 4.446 -5.959 4.118
21 HG1 THR 3 HG1 THR 3 4.392 -4.388 5.558
22 HG21 THR 3 HG21 THR 3 6.448 -7.350 4.310
23 HG22 THR 3 HG22 THR 3 5.922 -6.771 5.890
24 HG23 THR 3 HG23 THR 3 7.303 -6.022 5.091
25 H LYS 4 HN LYS 4 5.319 -5.796 0.564
26 HA LYS 4 HA LYS 4 3.783 -3.570 -0.227
27 HB2 LYS 4 HB2 LYS 4 3.051 -4.991 -2.129
28 HB3 LYS 4 HB1 LYS 4 4.794 -4.968 -1.907
29 HG2 LYS 4 HG2 LYS 4 4.803 -7.132 -0.990
30 HG3 LYS 4 HG1 LYS 4 3.048 -7.140 -0.818
31 HD2 LYS 4 HD2 LYS 4 3.764 -8.501 -2.721
32 HD3 LYS 4 HD1 LYS 4 2.815 -7.112 -3.251
33 HE2 LYS 4 HE2 LYS 4 4.875 -5.924 -3.821
34 HE3 LYS 4 HE1 LYS 4 5.826 -7.307 -3.279
35 HZ1 LYS 4 HZ1 LYS 4 5.525 -7.252 -5.694
36 HZ2 LYS 4 HZ2 LYS 4 3.852 -7.370 -5.492
37 HZ3 LYS 4 HZ3 LYS 4 4.855 -8.643 -5.005
38 HA PRO 5 HA PRO 5 -0.072 -4.403 1.779
39 HB2 PRO 5 HB2 PRO 5 -1.672 -2.888 0.173
40 HB3 PRO 5 HB1 PRO 5 -0.617 -2.194 1.413
41 HG2 PRO 5 HG2 PRO 5 -0.184 -2.403 -1.522
42 HG3 PRO 5 HG1 PRO 5 0.171 -1.062 -0.415
43 HD2 PRO 5 HD2 PRO 5 2.080 -2.752 -1.292
44 HD3 PRO 5 HD1 PRO 5 2.133 -2.007 0.324
45 H THR 6 HN THR 6 -1.956 -5.588 1.480
46 HA THR 6 HA THR 6 -1.986 -7.296 -0.859
47 HB THR 6 HB THR 6 -2.364 -8.257 1.399
48 HG1 THR 6 HG1 THR 6 -4.633 -9.141 0.616
49 HG21 THR 6 HG21 THR 6 -4.954 -6.718 1.276
50 HG22 THR 6 HG22 THR 6 -3.633 -6.444 2.410
51 HG23 THR 6 HG23 THR 6 -4.554 -7.946 2.475
52 H LYS 7 HN LYS 7 -3.911 -7.620 -2.112
53 HA LYS 7 HA LYS 7 -5.101 -5.105 -2.864
54 HB2 LYS 7 HB2 LYS 7 -5.805 -7.806 -3.996
55 HB3 LYS 7 HB1 LYS 7 -5.908 -6.241 -4.783
56 HG2 LYS 7 HG2 LYS 7 -3.335 -7.608 -4.016
57 HG3 LYS 7 HG1 LYS 7 -4.059 -7.651 -5.621
58 HD2 LYS 7 HD2 LYS 7 -3.174 -5.150 -4.179
59 HD3 LYS 7 HD1 LYS 7 -2.242 -5.989 -5.419
60 HE2 LYS 7 HE2 LYS 7 -4.970 -4.756 -5.801
61 HE3 LYS 7 HE1 LYS 7 -3.443 -4.053 -6.326
62 HZ1 LYS 7 HZ1 LYS 7 -3.110 -5.886 -7.816
63 HZ2 LYS 7 HZ2 LYS 7 -4.630 -5.207 -8.114
64 HZ3 LYS 7 HZ3 LYS 7 -4.506 -6.659 -7.260
65 HA PRO 8 HA PRO 8 -8.588 -5.885 -0.112
66 HB2 PRO 8 HB2 PRO 8 -9.646 -3.377 -1.218
67 HB3 PRO 8 HB1 PRO 8 -9.186 -3.759 0.451
68 HG2 PRO 8 HG2 PRO 8 -7.779 -2.060 -1.084
69 HG3 PRO 8 HG1 PRO 8 -7.023 -3.080 0.157
70 HD2 PRO 8 HD2 PRO 8 -7.083 -3.452 -2.810
71 HD3 PRO 8 HD1 PRO 8 -5.767 -3.762 -1.654
72 H GLY 9 HN GLY 9 -10.387 -7.024 -0.535
73 HA2 GLY 9 HA2 GLY 9 -11.389 -7.003 -3.296
74 HA3 GLY 9 HA1 GLY 9 -11.658 -8.282 -2.125
75 H ASP 10 HN ASP 10 -12.994 -7.629 -0.195
76 HA ASP 10 HA ASP 10 -15.379 -6.276 -1.178
77 HB2 ASP 10 HB2 ASP 10 -16.530 -7.253 0.673
78 HB3 ASP 10 HB1 ASP 10 -15.456 -8.496 0.042
79 H ASN 11 HN ASN 11 -12.772 -5.803 1.005
80 HA ASN 11 HA ASN 11 -13.995 -3.545 2.345
81 HB2 ASN 11 HB2 ASN 11 -11.871 -3.422 3.594
82 HB3 ASN 11 HB1 ASN 11 -12.576 -5.033 3.660
83 HD21 ASN 11 HD21 ASN 11 -9.848 -4.280 4.122
84 HD22 ASN 11 HD22 ASN 11 -8.890 -5.128 2.963
85 H ALA 12 HN ALA 12 -13.042 -3.843 -0.606
86 HA ALA 12 HA ALA 12 -11.112 -1.742 -0.922
87 HB1 ALA 12 HB1 ALA 12 -11.248 -3.716 -2.416
88 HB2 ALA 12 HB2 ALA 12 -11.305 -2.176 -3.272
89 HB3 ALA 12 HB3 ALA 12 -12.785 -3.102 -3.021
90 H THR 13 HN THR 13 -13.735 -1.157 0.346
91 HA THR 13 HA THR 13 -15.413 0.324 -1.333
92 HB THR 13 HB THR 13 -15.975 1.534 0.877
93 HG1 THR 13 HG1 THR 13 -14.713 1.072 2.507
94 HG21 THR 13 HG21 THR 13 -17.232 -0.393 1.690
95 HG22 THR 13 HG22 THR 13 -16.242 -1.466 0.703
96 HG23 THR 13 HG23 THR 13 -17.306 -0.292 -0.069
97 HA PRO 14 HA PRO 14 -13.282 3.917 -2.693
98 HB2 PRO 14 HB2 PRO 14 -15.619 5.340 -1.471
99 HB3 PRO 14 HB1 PRO 14 -14.884 5.555 -3.070
100 HG2 PRO 14 HG2 PRO 14 -17.145 4.190 -2.754
101 HG3 PRO 14 HG1 PRO 14 -15.926 3.728 -3.963
102 HD2 PRO 14 HD2 PRO 14 -16.667 2.370 -1.451
103 HD3 PRO 14 HD1 PRO 14 -15.861 1.721 -2.888
104 H GLU 15 HN GLU 15 -14.694 4.094 0.569
105 HA GLU 15 HA GLU 15 -13.128 6.293 1.421
106 HB2 GLU 15 HB2 GLU 15 -14.660 4.189 2.927
107 HB3 GLU 15 HB1 GLU 15 -13.760 5.453 3.750
108 HG2 GLU 15 HG2 GLU 15 -15.116 7.139 2.567
109 HG3 GLU 15 HG1 GLU 15 -16.048 5.837 1.836
110 H LYS 16 HN LYS 16 -12.680 2.788 1.769
111 HA LYS 16 HA LYS 16 -10.222 3.168 3.240
112 HB2 LYS 16 HB2 LYS 16 -11.744 1.243 3.712
113 HB3 LYS 16 HB1 LYS 16 -11.367 0.600 2.114
114 HG2 LYS 16 HG2 LYS 16 -8.986 0.482 2.769
115 HG3 LYS 16 HG1 LYS 16 -9.433 1.022 4.386
116 HD2 LYS 16 HD2 LYS 16 -10.917 -0.966 4.574
117 HD3 LYS 16 HD1 LYS 16 -10.302 -1.520 3.015
118 HE2 LYS 16 HE2 LYS 16 -8.681 -1.062 5.518
119 HE3 LYS 16 HE1 LYS 16 -9.126 -2.624 4.834
120 HZ1 LYS 16 HZ1 LYS 16 -6.830 -1.892 4.309
121 HZ2 LYS 16 HZ2 LYS 16 -7.473 -0.613 3.411
122 HZ3 LYS 16 HZ3 LYS 16 -7.770 -2.209 2.942
123 H LEU 17 HN LEU 17 -11.251 2.662 -0.019
124 HA LEU 17 HA LEU 17 -8.856 1.697 -1.130
125 HB2 LEU 17 HB2 LEU 17 -11.164 1.817 -2.194
126 HB3 LEU 17 HB1 LEU 17 -10.818 3.506 -2.513
127 HG LEU 17 HG LEU 17 -8.832 2.775 -3.845
128 HD11 LEU 17 HD11 LEU 17 -8.482 0.594 -2.841
129 HD12 LEU 17 HD12 LEU 17 -8.770 0.424 -4.573
130 HD13 LEU 17 HD13 LEU 17 -10.054 0.051 -3.422
131 HD21 LEU 17 HD21 LEU 17 -10.896 3.384 -4.936
132 HD22 LEU 17 HD22 LEU 17 -11.546 1.767 -4.672
133 HD23 LEU 17 HD23 LEU 17 -10.178 2.000 -5.762
134 H ALA 18 HN ALA 18 -9.970 4.865 -0.250
135 HA ALA 18 HA ALA 18 -7.931 6.376 -1.510
136 HB1 ALA 18 HB1 ALA 18 -8.638 8.167 0.046
137 HB2 ALA 18 HB2 ALA 18 -9.673 6.999 0.869
138 HB3 ALA 18 HB3 ALA 18 -9.989 7.424 -0.811
139 H LYS 19 HN LYS 19 -8.365 5.189 1.811
140 HA LYS 19 HA LYS 19 -5.889 6.039 2.822
141 HB2 LYS 19 HB2 LYS 19 -7.747 5.289 4.253
142 HB3 LYS 19 HB1 LYS 19 -7.565 3.653 3.639
143 HG2 LYS 19 HG2 LYS 19 -5.359 3.495 4.629
144 HG3 LYS 19 HG1 LYS 19 -5.484 5.159 5.205
145 HD2 LYS 19 HD2 LYS 19 -7.365 4.558 6.615
146 HD3 LYS 19 HD1 LYS 19 -7.333 2.909 5.989
147 HE2 LYS 19 HE2 LYS 19 -5.117 2.578 6.941
148 HE3 LYS 19 HE1 LYS 19 -5.107 4.240 7.527
149 HZ1 LYS 19 HZ1 LYS 19 -5.698 2.624 9.257
150 HZ2 LYS 19 HZ2 LYS 19 -7.059 2.164 8.366
151 HZ3 LYS 19 HZ3 LYS 19 -6.940 3.735 8.976
152 HA 4PH 20 HA 4PH 20 -4.547 1.656 1.266
153 HB2 4PH 20 HB1 4PH 20 -6.539 1.866 -0.995
154 HB3 4PH 20 HB2 4PH 20 -6.661 0.790 0.388
155 HD2 4PH 20 HD2 4PH 20 -4.637 -0.838 0.711
156 HD1 4PH 20 HD1 4PH 20 -5.675 1.055 -2.953
157 HE2 4PH 20 HE2 4PH 20 -3.425 -2.577 -0.524
158 HE1 4PH 20 HE1 4PH 20 -4.465 -0.687 -4.199
159 H33 4PH 20 H33 4PH 20 -2.786 -2.292 -4.049
160 H33A 4PH 20 H33A 4PH 20 -2.353 -3.076 -2.527
161 H33B 4PH 20 H33B 4PH 20 -3.841 -3.524 -3.367
162 H 4PH 20 HN 4PH 20 -6.882 3.166 1.095
163 H GLN 21 HN GLN 21 -5.462 4.227 -1.007
164 HA GLN 21 HA GLN 21 -3.184 4.103 -2.635
165 HB2 GLN 21 HB2 GLN 21 -5.007 6.400 -1.944
166 HB3 GLN 21 HB1 GLN 21 -3.701 6.536 -3.115
167 HG2 GLN 21 HG2 GLN 21 -5.984 4.586 -3.280
168 HG3 GLN 21 HG1 GLN 21 -5.875 6.110 -4.164
169 HE21 GLN 21 HE21 GLN 21 -4.586 2.892 -3.831
170 HE22 GLN 21 HE22 GLN 21 -3.768 2.852 -5.350
171 H ALA 22 HN ALA 22 -3.755 5.741 0.428
172 HA ALA 22 HA ALA 22 -1.304 7.153 0.512
173 HB1 ALA 22 HB1 ALA 22 -3.185 7.763 1.921
174 HB2 ALA 22 HB2 ALA 22 -1.773 7.390 2.909
175 HB3 ALA 22 HB3 ALA 22 -3.082 6.215 2.756
176 H ASP 23 HN ASP 23 -2.332 3.965 1.566
177 HA ASP 23 HA ASP 23 0.055 3.222 2.880
178 HB2 ASP 23 HB2 ASP 23 -2.225 2.068 2.990
179 HB3 ASP 23 HB1 ASP 23 -1.807 1.310 1.458
180 H LEU 24 HN LEU 24 -1.029 2.941 -0.478
181 HA LEU 24 HA LEU 24 1.254 1.589 -1.443
182 HB2 LEU 24 HB2 LEU 24 -0.907 3.201 -2.712
183 HB3 LEU 24 HB1 LEU 24 0.542 2.880 -3.643
184 HG LEU 24 HG LEU 24 -1.300 1.286 -4.096
185 HD11 LEU 24 HD11 LEU 24 0.053 -0.747 -3.940
186 HD12 LEU 24 HD12 LEU 24 1.163 0.076 -2.846
187 HD13 LEU 24 HD13 LEU 24 1.000 0.626 -4.512
188 HD21 LEU 24 HD21 LEU 24 -1.822 -0.423 -2.426
189 HD22 LEU 24 HD22 LEU 24 -2.283 1.192 -1.883
190 HD23 LEU 24 HD23 LEU 24 -0.824 0.431 -1.250
191 H ALA 25 HN ALA 25 0.491 5.007 -1.056
192 HA ALA 25 HA ALA 25 2.748 6.064 -2.338
193 HB1 ALA 25 HB1 ALA 25 2.324 8.086 -1.033
194 HB2 ALA 25 HB2 ALA 25 1.232 7.182 0.018
195 HB3 ALA 25 HB3 ALA 25 0.825 7.419 -1.681
196 H LYS 26 HN LYS 26 2.279 4.892 0.957
197 HA LYS 26 HA LYS 26 4.868 5.620 1.875
198 HB2 LYS 26 HB2 LYS 26 2.929 3.534 2.889
199 HB3 LYS 26 HB1 LYS 26 4.405 4.002 3.719
200 HG2 LYS 26 HG2 LYS 26 2.045 5.779 3.134
201 HG3 LYS 26 HG1 LYS 26 2.495 5.111 4.704
202 HD2 LYS 26 HD2 LYS 26 4.636 6.345 4.566
203 HD3 LYS 26 HD1 LYS 26 4.091 7.069 3.053
204 HE2 LYS 26 HE2 LYS 26 2.158 8.032 4.258
205 HE3 LYS 26 HE1 LYS 26 2.807 7.382 5.763
206 HZ1 LYS 26 HZ1 LYS 26 4.830 8.712 5.354
207 HZ2 LYS 26 HZ2 LYS 26 3.447 9.661 5.561
208 HZ3 LYS 26 HZ3 LYS 26 4.076 9.414 4.012
209 HA 4PH 27 HA 4PH 27 5.744 1.048 0.770
210 HB2 4PH 27 HB1 4PH 27 3.345 0.967 -1.048
211 HB3 4PH 27 HB2 4PH 27 3.662 -0.014 0.372
212 HD2 4PH 27 HD2 4PH 27 3.565 -0.028 -3.085
213 HD1 4PH 27 HD1 4PH 27 5.902 -1.483 0.163
214 HE2 4PH 27 HE2 4PH 27 4.455 -1.803 -4.527
215 HE1 4PH 27 HE1 4PH 27 6.791 -3.267 -1.280
216 H33 4PH 27 H33 4PH 27 5.447 -3.903 -4.548
217 H33A 4PH 27 H33A 4PH 27 7.085 -3.298 -4.288
218 H33B 4PH 27 H33B 4PH 27 6.400 -4.512 -3.199
219 H 4PH 27 HN 4PH 27 3.486 2.716 0.465
220 H GLN 28 HN GLN 28 4.631 3.010 -1.981
221 HA GLN 28 HA GLN 28 6.550 2.143 -3.819
222 HB2 GLN 28 HB2 GLN 28 5.051 4.760 -3.642
223 HB3 GLN 28 HB1 GLN 28 6.058 4.302 -5.011
224 HG2 GLN 28 HG2 GLN 28 3.642 2.782 -4.039
225 HG3 GLN 28 HG1 GLN 28 3.674 3.882 -5.412
226 HE21 GLN 28 HE21 GLN 28 3.013 1.060 -5.332
227 HE22 GLN 28 HE22 GLN 28 4.106 0.273 -6.410
228 H LYS 29 HN LYS 29 6.635 4.848 -1.540
229 HA LYS 29 HA LYS 29 9.122 5.871 -2.442
230 HB2 LYS 29 HB2 LYS 29 7.510 7.242 -1.201
231 HB3 LYS 29 HB1 LYS 29 7.736 6.232 0.220
232 HG2 LYS 29 HG2 LYS 29 10.123 6.905 0.254
233 HG3 LYS 29 HG1 LYS 29 9.785 8.011 -1.079
234 HD2 LYS 29 HD2 LYS 29 8.157 9.192 0.312
235 HD3 LYS 29 HD1 LYS 29 8.488 8.080 1.642
236 HE2 LYS 29 HE2 LYS 29 10.457 9.977 0.370
237 HE3 LYS 29 HE1 LYS 29 9.692 10.171 1.946
238 HZ1 LYS 29 HZ1 LYS 29 11.566 8.006 1.163
239 HZ2 LYS 29 HZ2 LYS 29 10.791 8.118 2.659
240 HZ3 LYS 29 HZ3 LYS 29 11.906 9.300 2.196
241 H ASP 30 HN ASP 30 8.198 3.674 0.180
242 HA ASP 30 HA ASP 30 10.794 3.491 1.311
243 HB2 ASP 30 HB2 ASP 30 8.465 2.815 2.303
244 HB3 ASP 30 HB1 ASP 30 8.780 1.269 1.525
245 H LEU 31 HN LEU 31 9.116 1.769 -1.235
246 HA LEU 31 HA LEU 31 10.988 -0.343 -1.542
247 HB2 LEU 31 HB2 LEU 31 8.527 -0.011 -2.440
248 HB3 LEU 31 HB1 LEU 31 9.341 0.711 -3.809
249 HG LEU 31 HG LEU 31 8.754 -1.620 -4.237
250 HD11 LEU 31 HD11 LEU 31 11.724 -1.211 -3.982
251 HD12 LEU 31 HD12 LEU 31 10.719 -0.758 -5.357
252 HD13 LEU 31 HD13 LEU 31 10.937 -2.458 -4.948
253 HD21 LEU 31 HD21 LEU 31 10.624 -2.307 -1.985
254 HD22 LEU 31 HD22 LEU 31 9.737 -3.435 -3.008
255 HD23 LEU 31 HD23 LEU 31 8.864 -2.375 -1.899
256 H ALA 32 HN ALA 32 10.626 2.850 -2.980
257 HA ALA 32 HA ALA 32 12.654 2.688 -4.901
258 HB1 ALA 32 HB1 ALA 32 11.699 5.117 -3.398
259 HB2 ALA 32 HB2 ALA 32 10.962 4.456 -4.856
260 HB3 ALA 32 HB3 ALA 32 12.595 5.120 -4.918
261 H ASP 33 HN ASP 33 12.728 3.571 -1.492
262 HA ASP 33 HA ASP 33 15.490 4.287 -1.456
263 HB2 ASP 33 HB2 ASP 33 13.970 5.108 0.273
264 HB3 ASP 33 HB1 ASP 33 13.667 3.459 0.815
265 HA 4PH 34 HA 4PH 34 15.991 -0.185 -0.210
266 HB2 4PH 34 HB1 4PH 34 13.406 -1.238 -1.365
267 HB3 4PH 34 HB2 4PH 34 13.578 -0.722 0.305
268 HD2 4PH 34 HD2 4PH 34 13.532 -3.502 -1.750
269 HD1 4PH 34 HD1 4PH 34 15.712 -1.836 1.505
270 HE2 4PH 34 HE2 4PH 34 14.285 -5.751 -1.109
271 HE1 4PH 34 HE1 4PH 34 16.467 -4.083 2.155
272 H33 4PH 34 H33 4PH 34 15.089 -7.049 0.653
273 H33A 4PH 34 H33A 4PH 34 16.771 -6.559 0.433
274 H33B 4PH 34 H33B 4PH 34 15.982 -6.356 2.002
275 H 4PH 34 HN 4PH 34 13.755 1.313 -1.260
276 HN1 NH2 35 HN1 NH2 35 17.356 0.622 -1.993
277 HN2 NH2 35 HN2 NH2 35 17.384 -0.268 -3.474