Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
488391 | 2l4u RC | 17256 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 1HT PRO 1 -11.714 14.308 -5.352
2 H3 PRO 1 2HT PRO 1 -13.126 13.586 -5.794
3 HA PRO 1 HA PRO 1 -12.265 12.361 -7.239
4 HB2 PRO 1 2HB PRO 1 -10.035 13.720 -8.344
5 HB3 PRO 1 1HB PRO 1 -11.610 13.438 -9.099
6 HG2 PRO 1 2HG PRO 1 -10.613 15.822 -7.633
7 HG3 PRO 1 1HG PRO 1 -11.767 15.724 -8.974
8 HD2 PRO 1 2HD PRO 1 -12.606 16.230 -6.495
9 HD3 PRO 1 1HD PRO 1 -13.546 15.175 -7.567
10 H LEU 2 H LEU 2 -9.307 14.199 -6.555
11 HA LEU 2 HA LEU 2 -8.259 11.814 -5.206
12 HB2 LEU 2 2HB LEU 2 -6.233 12.196 -6.063
13 HB3 LEU 2 1HB LEU 2 -7.185 12.991 -7.295
14 HG LEU 2 HG LEU 2 -5.540 14.551 -6.994
15 HD11 LEU 2 1HD1 LEU 2 -6.616 16.375 -6.292
16 HD12 LEU 2 2HD1 LEU 2 -6.852 15.729 -4.668
17 HD13 LEU 2 3HD1 LEU 2 -7.959 15.283 -5.964
18 HD21 LEU 2 3HD2 LEU 2 -5.030 13.086 -4.646
19 HD22 LEU 2 1HD2 LEU 2 -5.167 14.778 -4.169
20 HD23 LEU 2 2HD2 LEU 2 -4.010 14.302 -5.412
21 H SER 3 H SER 3 -9.882 14.085 -4.098
22 HA SER 3 HA SER 3 -8.137 15.409 -2.220
23 HB2 SER 3 2HB SER 3 -10.992 15.480 -2.907
24 HB3 SER 3 1HB SER 3 -10.692 15.609 -1.174
25 HG SER 3 HG SER 3 -9.591 17.453 -1.483
26 H ARG 4 H ARG 4 -8.564 12.439 -2.627
27 HA ARG 4 HA ARG 4 -9.161 11.601 0.101
28 HB2 ARG 4 2HB ARG 4 -10.090 9.725 -0.833
29 HB3 ARG 4 1HB ARG 4 -10.351 10.863 -2.144
30 HG2 ARG 4 2HG ARG 4 -7.973 9.956 -2.908
31 HG3 ARG 4 1HG ARG 4 -8.500 8.539 -1.999
32 HD2 ARG 4 2HD ARG 4 -10.569 9.647 -3.731
33 HD3 ARG 4 1HD ARG 4 -9.129 9.136 -4.609
34 HE ARG 4 HE ARG 4 -9.625 6.947 -4.107
35 HH11 ARG 4 1HH1 ARG 4 -11.645 9.055 -2.192
36 HH12 ARG 4 2HH1 ARG 4 -12.654 7.771 -1.617
37 HH21 ARG 4 1HH2 ARG 4 -10.951 5.259 -3.351
38 HH22 ARG 4 2HH2 ARG 4 -12.261 5.616 -2.275
39 H GLY 5 H GLY 5 -6.902 11.486 -2.532
40 HA2 GLY 5 2HA GLY 5 -4.591 11.110 -2.419
41 HA3 GLY 5 1HA GLY 5 -4.781 10.595 -0.744
42 H LYS 6 H LYS 6 -6.337 9.536 -3.753
43 HA LYS 6 HA LYS 6 -6.441 6.844 -3.065
44 HB2 LYS 6 2HB LYS 6 -6.533 6.485 -5.594
45 HB3 LYS 6 1HB LYS 6 -7.828 7.348 -4.780
46 HG2 LYS 6 2HG LYS 6 -7.325 9.332 -5.777
47 HG3 LYS 6 1HG LYS 6 -5.602 8.965 -5.875
48 HD2 LYS 6 2HD LYS 6 -6.067 7.369 -7.692
49 HD3 LYS 6 1HD LYS 6 -7.777 7.793 -7.608
50 HE2 LYS 6 2HE LYS 6 -6.901 9.060 -9.389
51 HE3 LYS 6 1HE LYS 6 -7.059 10.186 -8.041
52 HZ1 LYS 6 3HZ LYS 6 -4.571 9.327 -7.673
53 HZ2 LYS 6 1HZ LYS 6 -4.954 10.684 -8.609
54 HZ3 LYS 6 2HZ LYS 6 -4.668 9.194 -9.357
55 H LYS 7 H LYS 7 -3.757 8.663 -3.890
56 HA LYS 7 HA LYS 7 -2.108 6.862 -5.246
57 HB2 LYS 7 2HB LYS 7 -0.564 8.064 -3.156
58 HB3 LYS 7 1HB LYS 7 -0.551 8.433 -4.870
59 HG2 LYS 7 2HG LYS 7 -1.062 10.474 -4.016
60 HG3 LYS 7 1HG LYS 7 -2.686 9.836 -4.245
61 HD2 LYS 7 2HD LYS 7 -2.478 10.872 -2.055
62 HD3 LYS 7 1HD LYS 7 -2.723 9.134 -1.894
63 HE2 LYS 7 2HE LYS 7 -0.871 8.983 -0.693
64 HE3 LYS 7 1HE LYS 7 0.063 9.589 -2.061
65 HZ1 LYS 7 3HZ LYS 7 0.433 10.974 -0.153
66 HZ2 LYS 7 1HZ LYS 7 -1.228 11.224 0.056
67 HZ3 LYS 7 2HZ LYS 7 -0.442 11.858 -1.300
68 H TRP 8 H TRP 8 -3.442 6.874 -2.184
69 HA TRP 8 HA TRP 8 -1.751 4.945 -0.895
70 HB2 TRP 8 2HB TRP 8 -3.097 5.144 0.973
71 HB3 TRP 8 1HB TRP 8 -3.395 6.698 0.208
72 HD1 TRP 8 HD TRP 8 -5.631 6.448 -1.613
73 HE1 TRP 8 1HE TRP 8 -7.966 5.602 -1.025
74 HE3 TRP 8 3HE TRP 8 -4.399 3.606 2.413
75 HZ2 TRP 8 2HZ TRP 8 -9.140 3.936 0.941
76 HZ3 TRP 8 3HZ TRP 8 -6.179 2.427 3.613
77 HH2 TRP 8 HH TRP 8 -8.493 2.567 2.875
78 H THR 9 H THR 9 -4.794 5.024 -2.557
79 HA THR 9 HA THR 9 -5.736 2.477 -2.161
80 HB THR 9 HB THR 9 -6.404 4.635 -3.808
81 HG1 THR 9 1HG THR 9 -7.568 2.095 -3.395
82 HG21 THR 9 3HG2 THR 9 -6.857 3.742 -5.965
83 HG22 THR 9 1HG2 THR 9 -6.232 2.161 -5.500
84 HG23 THR 9 2HG2 THR 9 -5.137 3.536 -5.636
85 H GLU 10 H GLU 10 -3.167 3.684 -4.026
86 HA GLU 10 HA GLU 10 -2.590 1.625 -5.779
87 HB2 GLU 10 2HB GLU 10 -0.857 3.031 -6.140
88 HB3 GLU 10 1HB GLU 10 -1.425 3.979 -4.783
89 HG2 GLU 10 2HG GLU 10 0.836 3.562 -4.350
90 HG3 GLU 10 1HG GLU 10 -0.059 2.475 -3.298
91 H LYS 11 H LYS 11 -2.040 1.989 -2.376
92 HA LYS 11 HA LYS 11 -0.484 -0.371 -2.017
93 HB2 LYS 11 2HB LYS 11 -2.065 1.144 0.006
94 HB3 LYS 11 1HB LYS 11 -0.684 0.094 0.299
95 HG2 LYS 11 2HG LYS 11 0.812 1.616 -0.609
96 HG3 LYS 11 1HG LYS 11 -0.470 2.528 -1.405
97 HD2 LYS 11 2HD LYS 11 0.697 3.031 1.116
98 HD3 LYS 11 1HD LYS 11 -0.654 3.874 0.360
99 HE2 LYS 11 2HE LYS 11 -2.242 2.426 1.400
100 HE3 LYS 11 1HE LYS 11 -0.972 1.338 1.960
101 HZ1 LYS 11 3HZ LYS 11 -0.215 3.643 3.082
102 HZ2 LYS 11 1HZ LYS 11 -1.197 2.500 3.853
103 HZ3 LYS 11 2HZ LYS 11 -1.895 3.842 3.094
104 H LEU 12 H LEU 12 -3.815 0.465 -2.016
105 HA LEU 12 HA LEU 12 -4.489 -2.101 -0.851
106 HB2 LEU 12 2HB LEU 12 -6.823 -0.788 -1.616
107 HB3 LEU 12 1HB LEU 12 -6.255 -1.243 -0.038
108 HG LEU 12 HG LEU 12 -6.400 1.375 -1.289
109 HD11 LEU 12 1HD1 LEU 12 -7.031 -0.037 1.081
110 HD12 LEU 12 2HD1 LEU 12 -7.549 1.561 0.556
111 HD13 LEU 12 3HD1 LEU 12 -6.060 1.373 1.477
112 HD21 LEU 12 3HD2 LEU 12 -4.138 1.625 -1.292
113 HD22 LEU 12 1HD2 LEU 12 -3.879 0.386 -0.080
114 HD23 LEU 12 2HD2 LEU 12 -4.433 1.977 0.404
115 H ALA 13 H ALA 13 -4.409 -0.267 -3.691
116 HA ALA 13 HA ALA 13 -5.924 -1.986 -5.353
117 HB1 ALA 13 1HB ALA 13 -5.179 0.210 -6.169
118 HB2 ALA 13 2HB ALA 13 -4.554 -1.071 -7.206
119 HB3 ALA 13 3HB ALA 13 -3.497 -0.300 -6.024
120 H ARG 14 H ARG 14 -3.077 -2.171 -3.490
121 HA ARG 14 HA ARG 14 -2.260 -4.655 -4.908
122 HB2 ARG 14 2HB ARG 14 -0.068 -4.284 -3.889
123 HB3 ARG 14 1HB ARG 14 -0.559 -2.876 -4.838
124 HG2 ARG 14 2HG ARG 14 -0.478 -1.572 -3.050
125 HG3 ARG 14 1HG ARG 14 -1.547 -2.653 -2.174
126 HD2 ARG 14 2HD ARG 14 0.691 -2.223 -1.143
127 HD3 ARG 14 1HD ARG 14 0.191 -3.905 -1.323
128 HE ARG 14 HE ARG 14 2.099 -4.205 -2.525
129 HH11 ARG 14 1HH1 ARG 14 1.117 -0.875 -2.970
130 HH12 ARG 14 2HH1 ARG 14 2.365 -0.533 -4.115
131 HH21 ARG 14 1HH2 ARG 14 3.759 -3.736 -4.001
132 HH22 ARG 14 2HH2 ARG 14 3.877 -2.149 -4.685
133 H PHE 15 H PHE 15 -3.626 -3.361 -1.995
134 HA PHE 15 HA PHE 15 -3.007 -5.923 -0.692
135 HB2 PHE 15 2HB PHE 15 -2.864 -4.889 1.442
136 HB3 PHE 15 1HB PHE 15 -1.831 -4.013 0.335
137 HD1 PHE 15 2HD PHE 15 -5.460 -3.718 1.222
138 HD2 PHE 15 1HD PHE 15 -1.640 -1.892 0.922
139 HE1 PHE 15 2HE PHE 15 -6.395 -1.644 1.984
140 HE2 PHE 15 1HE PHE 15 -2.555 0.183 1.694
141 HZ PHE 15 HZ PHE 15 -4.952 0.346 2.284
142 H GLN 16 H GLN 16 -5.479 -3.509 -1.198
143 HA GLN 16 HA GLN 16 -7.508 -4.591 0.357
144 HB2 GLN 16 2HB GLN 16 -7.360 -2.961 -2.104
145 HB3 GLN 16 1HB GLN 16 -8.899 -3.745 -1.778
146 HG2 GLN 16 2HG GLN 16 -7.585 -2.319 0.440
147 HG3 GLN 16 1HG GLN 16 -8.280 -1.350 -0.858
148 HE21 GLN 16 1HE2 GLN 16 -9.643 -0.594 0.955
149 HE22 GLN 16 2HE2 GLN 16 -11.079 -1.483 1.320
150 H ARG 17 H ARG 17 -5.913 -5.913 -2.320
151 HA ARG 17 HA ARG 17 -7.503 -7.435 -3.804
152 HB2 ARG 17 2HB ARG 17 -5.645 -9.297 -3.157
153 HB3 ARG 17 1HB ARG 17 -5.383 -7.986 -4.298
154 HG2 ARG 17 2HG ARG 17 -4.145 -6.729 -2.763
155 HG3 ARG 17 1HG ARG 17 -4.792 -7.617 -1.383
156 HD2 ARG 17 2HD ARG 17 -3.598 -9.626 -2.180
157 HD3 ARG 17 1HD ARG 17 -2.871 -8.646 -3.451
158 HE ARG 17 HE ARG 17 -1.379 -7.872 -1.913
159 HH11 ARG 17 1HH1 ARG 17 -4.171 -9.090 -0.208
160 HH12 ARG 17 2HH1 ARG 17 -3.477 -8.844 1.359
161 HH21 ARG 17 1HH2 ARG 17 -0.464 -7.550 0.148
162 HH22 ARG 17 2HH2 ARG 17 -1.373 -7.971 1.562
163 H SER 18 H SER 18 -6.783 -7.953 -0.464
164 HA SER 18 HA SER 18 -7.596 -10.425 0.193
165 HB2 SER 18 2HB SER 18 -7.400 -7.939 1.505
166 HB3 SER 18 1HB SER 18 -8.973 -8.605 1.939
167 HG SER 18 HG SER 18 -6.469 -9.411 2.687
168 H SER 19 H SER 19 -9.609 -7.801 -0.803
169 HA SER 19 HA SER 19 -11.920 -9.622 -0.947
170 HB2 SER 19 2HB SER 19 -11.711 -6.915 0.245
171 HB3 SER 19 1HB SER 19 -13.163 -7.243 -0.700
172 HG SER 19 HG SER 19 -13.558 -7.859 1.401
173 H ALA 20 H ALA 20 -9.872 -7.401 -2.505
174 HA ALA 20 HA ALA 20 -11.504 -6.357 -4.513
175 HB1 ALA 20 1HB ALA 20 -8.765 -7.134 -5.294
176 HB2 ALA 20 2HB ALA 20 -8.924 -6.049 -3.911
177 HB3 ALA 20 3HB ALA 20 -9.603 -5.592 -5.474
178 H LYS 21 H LYS 21 -10.030 -9.476 -4.210
179 HA LYS 21 HA LYS 21 -11.460 -10.368 -6.602
180 HB2 LYS 21 2HB LYS 21 -8.811 -11.455 -5.684
181 HB3 LYS 21 1HB LYS 21 -9.693 -11.892 -7.139
182 HG2 LYS 21 2HG LYS 21 -8.580 -10.343 -8.262
183 HG3 LYS 21 1HG LYS 21 -9.294 -9.102 -7.231
184 HD2 LYS 21 2HD LYS 21 -7.365 -8.758 -6.161
185 HD3 LYS 21 1HD LYS 21 -7.114 -10.485 -5.908
186 HE2 LYS 21 2HE LYS 21 -5.367 -9.257 -7.291
187 HE3 LYS 21 1HE LYS 21 -6.030 -10.741 -7.975
188 HZ1 LYS 21 3HZ LYS 21 -7.038 -9.631 -9.636
189 HZ2 LYS 21 1HZ LYS 21 -5.851 -8.465 -9.325
190 HZ3 LYS 21 2HZ LYS 21 -7.406 -8.282 -8.685
191 H LYS 22 H LYS 22 -12.921 -10.604 -4.783
192 HA LYS 22 HA LYS 22 -12.586 -12.628 -2.828
193 HB2 LYS 22 2HB LYS 22 -14.169 -10.738 -2.597
194 HB3 LYS 22 1HB LYS 22 -15.157 -11.436 -3.872
195 HG2 LYS 22 2HG LYS 22 -14.794 -13.483 -2.005
196 HG3 LYS 22 1HG LYS 22 -15.108 -12.027 -1.061
197 HD2 LYS 22 2HD LYS 22 -16.921 -11.995 -3.221
198 HD3 LYS 22 1HD LYS 22 -16.938 -13.635 -2.573
199 HE2 LYS 22 2HE LYS 22 -17.989 -12.999 -0.703
200 HE3 LYS 22 1HE LYS 22 -16.955 -11.586 -0.501
201 HZ1 LYS 22 3HZ LYS 22 -18.755 -11.274 -2.692
202 HZ2 LYS 22 1HZ LYS 22 -18.516 -10.276 -1.346
203 HZ3 LYS 22 2HZ LYS 22 -19.587 -11.581 -1.252
204 H LYS 23 H LYS 23 -13.308 -12.779 -6.146
205 HA LYS 23 HA LYS 23 -13.949 -15.619 -5.867
206 HB2 LYS 23 2HB LYS 23 -15.598 -15.405 -7.732
207 HB3 LYS 23 1HB LYS 23 -16.092 -14.601 -6.249
208 HG2 LYS 23 2HG LYS 23 -14.899 -12.544 -7.458
209 HG3 LYS 23 1HG LYS 23 -15.387 -13.464 -8.882
210 HD2 LYS 23 2HD LYS 23 -17.351 -12.968 -6.684
211 HD3 LYS 23 1HD LYS 23 -17.005 -11.695 -7.856
212 HE2 LYS 23 2HE LYS 23 -18.154 -12.727 -9.479
213 HE3 LYS 23 1HE LYS 23 -17.477 -14.304 -9.078
214 HZ1 LYS 23 3HZ LYS 23 -19.101 -13.973 -7.023
215 HZ2 LYS 23 1HZ LYS 23 -19.603 -14.684 -8.473
216 HZ3 LYS 23 2HZ LYS 23 -19.944 -13.057 -8.167
217 H ARG 24 H ARG 24 -11.485 -15.058 -6.328
218 HA ARG 24 HA ARG 24 -11.081 -15.175 -9.238
219 HB2 ARG 24 2HB ARG 24 -9.812 -13.360 -8.639
220 HB3 ARG 24 1HB ARG 24 -9.532 -13.955 -7.010
221 HG2 ARG 24 2HG ARG 24 -7.642 -15.027 -7.583
222 HG3 ARG 24 1HG ARG 24 -8.258 -15.500 -9.166
223 HD2 ARG 24 2HD ARG 24 -8.023 -12.710 -9.244
224 HD3 ARG 24 1HD ARG 24 -6.559 -13.291 -8.452
225 HE ARG 24 HE ARG 24 -5.853 -13.992 -10.494
226 HH11 ARG 24 1HH1 ARG 24 -9.342 -13.943 -10.527
227 HH12 ARG 24 2HH1 ARG 24 -9.457 -14.441 -12.182
228 HH21 ARG 24 1HH2 ARG 24 -6.003 -14.646 -12.670
229 HH22 ARG 24 2HH2 ARG 24 -7.562 -14.841 -13.399
Start of MODEL 2
1 H2 PRO 1 1HT PRO 1 -2.515 15.945 -2.525
2 H3 PRO 1 2HT PRO 1 -0.910 16.308 -2.509
3 HA PRO 1 HA PRO 1 -0.374 14.839 -3.882
4 HB2 PRO 1 2HB PRO 1 -2.135 12.644 -3.574
5 HB3 PRO 1 1HB PRO 1 -0.446 12.748 -3.066
6 HG2 PRO 1 2HG PRO 1 -2.926 13.212 -1.498
7 HG3 PRO 1 1HG PRO 1 -1.360 12.573 -0.967
8 HD2 PRO 1 2HD PRO 1 -2.101 15.052 -0.328
9 HD3 PRO 1 1HD PRO 1 -0.419 14.701 -0.772
10 H LEU 2 H LEU 2 -3.755 13.781 -3.613
11 HA LEU 2 HA LEU 2 -4.292 15.127 -6.171
12 HB2 LEU 2 2HB LEU 2 -5.886 12.719 -5.514
13 HB3 LEU 2 1HB LEU 2 -5.260 13.263 -7.055
14 HG LEU 2 HG LEU 2 -2.958 12.513 -6.031
15 HD11 LEU 2 1HD1 LEU 2 -2.979 11.062 -4.290
16 HD12 LEU 2 2HD1 LEU 2 -4.571 10.427 -4.697
17 HD13 LEU 2 3HD1 LEU 2 -4.428 11.971 -3.862
18 HD21 LEU 2 3HD2 LEU 2 -3.772 11.514 -8.007
19 HD22 LEU 2 1HD2 LEU 2 -5.116 10.749 -7.159
20 HD23 LEU 2 2HD2 LEU 2 -3.468 10.182 -6.892
21 H SER 3 H SER 3 -7.045 13.546 -5.025
22 HA SER 3 HA SER 3 -7.896 15.830 -3.411
23 HB2 SER 3 2HB SER 3 -9.825 14.627 -5.367
24 HB3 SER 3 1HB SER 3 -9.818 16.240 -4.654
25 HG SER 3 HG SER 3 -9.019 15.690 -7.010
26 H ARG 4 H ARG 4 -7.786 12.506 -4.096
27 HA ARG 4 HA ARG 4 -9.707 11.887 -1.964
28 HB2 ARG 4 2HB ARG 4 -10.218 9.906 -3.107
29 HB3 ARG 4 1HB ARG 4 -10.092 11.121 -4.371
30 HG2 ARG 4 2HG ARG 4 -7.561 10.207 -4.348
31 HG3 ARG 4 1HG ARG 4 -8.420 8.745 -3.860
32 HD2 ARG 4 2HD ARG 4 -9.143 10.430 -6.253
33 HD3 ARG 4 1HD ARG 4 -8.096 9.015 -6.327
34 HE ARG 4 HE ARG 4 -10.656 8.507 -5.118
35 HH11 ARG 4 1HH1 ARG 4 -8.880 8.650 -8.119
36 HH12 ARG 4 2HH1 ARG 4 -9.968 7.596 -8.958
37 HH21 ARG 4 1HH2 ARG 4 -12.090 7.122 -6.220
38 HH22 ARG 4 2HH2 ARG 4 -11.791 6.729 -7.880
39 H GLY 5 H GLY 5 -6.584 11.256 -3.322
40 HA2 GLY 5 2HA GLY 5 -4.643 10.742 -2.075
41 HA3 GLY 5 1HA GLY 5 -5.670 10.158 -0.770
42 H LYS 6 H LYS 6 -6.054 9.336 -4.168
43 HA LYS 6 HA LYS 6 -6.315 6.610 -3.682
44 HB2 LYS 6 2HB LYS 6 -5.893 6.307 -6.102
45 HB3 LYS 6 1HB LYS 6 -7.186 7.417 -5.678
46 HG2 LYS 6 2HG LYS 6 -6.236 9.027 -6.879
47 HG3 LYS 6 1HG LYS 6 -4.758 8.890 -5.926
48 HD2 LYS 6 2HD LYS 6 -3.830 8.290 -7.887
49 HD3 LYS 6 1HD LYS 6 -4.542 6.715 -7.533
50 HE2 LYS 6 2HE LYS 6 -6.463 7.214 -8.882
51 HE3 LYS 6 1HE LYS 6 -5.926 8.878 -9.111
52 HZ1 LYS 6 3HZ LYS 6 -4.752 6.407 -10.234
53 HZ2 LYS 6 1HZ LYS 6 -3.890 7.863 -10.191
54 HZ3 LYS 6 2HZ LYS 6 -5.336 7.761 -11.061
55 H LYS 7 H LYS 7 -3.522 8.503 -3.730
56 HA LYS 7 HA LYS 7 -1.545 6.758 -4.625
57 HB2 LYS 7 2HB LYS 7 -0.039 7.964 -3.199
58 HB3 LYS 7 1HB LYS 7 -1.210 9.111 -3.828
59 HG2 LYS 7 2HG LYS 7 -1.965 7.943 -1.261
60 HG3 LYS 7 1HG LYS 7 -0.469 8.874 -1.218
61 HD2 LYS 7 2HD LYS 7 -1.532 10.833 -1.919
62 HD3 LYS 7 1HD LYS 7 -2.938 9.957 -2.528
63 HE2 LYS 7 2HE LYS 7 -3.452 11.137 -0.449
64 HE3 LYS 7 1HE LYS 7 -3.588 9.390 -0.249
65 HZ1 LYS 7 3HZ LYS 7 -2.373 10.743 1.538
66 HZ2 LYS 7 1HZ LYS 7 -1.085 10.787 0.442
67 HZ3 LYS 7 2HZ LYS 7 -1.664 9.302 1.008
68 H TRP 8 H TRP 8 -3.670 6.697 -2.052
69 HA TRP 8 HA TRP 8 -2.322 4.814 -0.334
70 HB2 TRP 8 2HB TRP 8 -4.131 4.982 1.110
71 HB3 TRP 8 1HB TRP 8 -4.281 6.515 0.261
72 HD1 TRP 8 HD TRP 8 -5.874 5.984 -2.161
73 HE1 TRP 8 1HE TRP 8 -8.244 5.054 -2.202
74 HE3 TRP 8 3HE TRP 8 -5.851 3.670 2.361
75 HZ2 TRP 8 2HZ TRP 8 -9.914 3.537 -0.501
76 HZ3 TRP 8 3HZ TRP 8 -7.874 2.509 3.096
77 HH2 TRP 8 HH TRP 8 -9.851 2.422 1.684
78 H THR 9 H THR 9 -4.760 4.800 -2.770
79 HA THR 9 HA THR 9 -5.456 2.106 -2.649
80 HB THR 9 HB THR 9 -6.090 4.414 -4.196
81 HG1 THR 9 1HG THR 9 -8.033 3.375 -4.416
82 HG21 THR 9 3HG2 THR 9 -4.923 3.524 -6.049
83 HG22 THR 9 1HG2 THR 9 -6.645 3.278 -6.324
84 HG23 THR 9 2HG2 THR 9 -5.635 1.932 -5.807
85 H GLU 10 H GLU 10 -3.010 3.856 -4.223
86 HA GLU 10 HA GLU 10 -2.128 1.988 -6.031
87 HB2 GLU 10 2HB GLU 10 -0.971 3.943 -6.261
88 HB3 GLU 10 1HB GLU 10 -1.126 4.309 -4.554
89 HG2 GLU 10 2HG GLU 10 1.222 4.007 -5.387
90 HG3 GLU 10 1HG GLU 10 0.765 3.047 -3.985
91 H LYS 11 H LYS 11 -1.217 2.522 -2.741
92 HA LYS 11 HA LYS 11 0.295 0.044 -2.603
93 HB2 LYS 11 2HB LYS 11 0.589 0.925 -0.224
94 HB3 LYS 11 1HB LYS 11 1.422 1.706 -1.561
95 HG2 LYS 11 2HG LYS 11 0.352 3.631 -1.243
96 HG3 LYS 11 1HG LYS 11 -1.201 2.817 -1.070
97 HD2 LYS 11 2HD LYS 11 0.885 3.054 1.079
98 HD3 LYS 11 1HD LYS 11 -0.582 4.029 0.954
99 HE2 LYS 11 2HE LYS 11 -1.907 2.369 1.700
100 HE3 LYS 11 1HE LYS 11 -1.001 1.123 0.845
101 HZ1 LYS 11 3HZ LYS 11 -0.954 1.176 3.406
102 HZ2 LYS 11 1HZ LYS 11 0.161 2.435 3.216
103 HZ3 LYS 11 2HZ LYS 11 0.493 0.906 2.574
104 H LEU 12 H LEU 12 -2.584 1.479 -1.464
105 HA LEU 12 HA LEU 12 -3.007 -0.841 0.207
106 HB2 LEU 12 2HB LEU 12 -3.680 0.559 1.730
107 HB3 LEU 12 1HB LEU 12 -3.314 1.857 0.658
108 HG LEU 12 HG LEU 12 -5.426 2.349 1.287
109 HD11 LEU 12 1HD1 LEU 12 -6.505 2.409 -0.654
110 HD12 LEU 12 2HD1 LEU 12 -6.448 0.668 -0.857
111 HD13 LEU 12 3HD1 LEU 12 -5.045 1.656 -1.258
112 HD21 LEU 12 3HD2 LEU 12 -7.194 0.725 1.648
113 HD22 LEU 12 1HD2 LEU 12 -5.770 0.342 2.606
114 HD23 LEU 12 2HD2 LEU 12 -6.114 -0.560 1.131
115 H ALA 13 H ALA 13 -4.035 0.505 -2.723
116 HA ALA 13 HA ALA 13 -6.518 -1.089 -2.625
117 HB1 ALA 13 1HB ALA 13 -6.476 1.095 -3.882
118 HB2 ALA 13 2HB ALA 13 -7.110 -0.284 -4.760
119 HB3 ALA 13 3HB ALA 13 -5.479 0.291 -5.084
120 H ARG 14 H ARG 14 -3.246 -1.313 -3.241
121 HA ARG 14 HA ARG 14 -3.386 -3.509 -5.153
122 HB2 ARG 14 2HB ARG 14 -0.973 -3.720 -4.543
123 HB3 ARG 14 1HB ARG 14 -1.402 -2.084 -5.051
124 HG2 ARG 14 2HG ARG 14 -0.900 -1.233 -3.063
125 HG3 ARG 14 1HG ARG 14 -1.804 -2.466 -2.207
126 HD2 ARG 14 2HD ARG 14 0.786 -2.199 -1.926
127 HD3 ARG 14 1HD ARG 14 -0.010 -3.769 -1.885
128 HE ARG 14 HE ARG 14 1.366 -4.322 -3.610
129 HH11 ARG 14 1HH1 ARG 14 0.630 -0.911 -3.991
130 HH12 ARG 14 2HH1 ARG 14 1.444 -0.784 -5.507
131 HH21 ARG 14 1HH2 ARG 14 2.450 -4.127 -5.588
132 HH22 ARG 14 2HH2 ARG 14 2.487 -2.600 -6.404
133 H PHE 15 H PHE 15 -3.690 -2.886 -1.815
134 HA PHE 15 HA PHE 15 -3.373 -5.744 -1.190
135 HB2 PHE 15 2HB PHE 15 -2.609 -5.117 0.949
136 HB3 PHE 15 1HB PHE 15 -1.787 -4.069 -0.189
137 HD1 PHE 15 1HD PHE 15 -5.218 -3.636 1.185
138 HD2 PHE 15 2HD PHE 15 -1.190 -2.290 1.082
139 HE1 PHE 15 1HE PHE 15 -5.826 -1.773 2.544
140 HE2 PHE 15 2HE PHE 15 -1.793 -0.402 2.452
141 HZ PHE 15 HZ PHE 15 -4.120 -0.138 3.254
142 H GLN 16 H GLN 16 -5.580 -3.265 -1.511
143 HA GLN 16 HA GLN 16 -7.430 -3.708 0.510
144 HB2 GLN 16 2HB GLN 16 -8.890 -2.415 -0.759
145 HB3 GLN 16 1HB GLN 16 -7.307 -1.884 -1.288
146 HG2 GLN 16 2HG GLN 16 -7.868 -2.305 -3.379
147 HG3 GLN 16 1HG GLN 16 -8.072 -4.009 -2.982
148 HE21 GLN 16 1HE2 GLN 16 -9.547 -1.519 -4.398
149 HE22 GLN 16 2HE2 GLN 16 -11.203 -1.919 -4.108
150 H ARG 17 H ARG 17 -6.350 -5.999 -1.498
151 HA ARG 17 HA ARG 17 -8.376 -7.387 -2.637
152 HB2 ARG 17 2HB ARG 17 -6.945 -9.431 -1.607
153 HB3 ARG 17 1HB ARG 17 -6.451 -8.507 -3.017
154 HG2 ARG 17 2HG ARG 17 -4.924 -7.202 -1.737
155 HG3 ARG 17 1HG ARG 17 -5.574 -7.820 -0.218
156 HD2 ARG 17 2HD ARG 17 -4.742 -10.011 -1.857
157 HD3 ARG 17 1HD ARG 17 -3.435 -8.836 -1.743
158 HE ARG 17 HE ARG 17 -3.283 -9.238 0.540
159 HH11 ARG 17 1HH1 ARG 17 -5.944 -11.029 -0.849
160 HH12 ARG 17 2HH1 ARG 17 -6.143 -12.043 0.540
161 HH21 ARG 17 1HH2 ARG 17 -3.552 -10.570 2.362
162 HH22 ARG 17 2HH2 ARG 17 -4.789 -11.782 2.361
163 H SER 18 H SER 18 -7.276 -7.723 0.679
164 HA SER 18 HA SER 18 -9.690 -9.229 1.357
165 HB2 SER 18 2HB SER 18 -7.489 -8.594 3.287
166 HB3 SER 18 1HB SER 18 -8.605 -9.960 3.283
167 HG SER 18 HG SER 18 -7.080 -10.985 2.273
168 H SER 19 H SER 19 -8.766 -6.066 1.263
169 HA SER 19 HA SER 19 -9.618 -4.998 3.705
170 HB2 SER 19 2HB SER 19 -9.358 -3.952 0.929
171 HB3 SER 19 1HB SER 19 -10.290 -3.000 2.080
172 HG SER 19 HG SER 19 -8.450 -2.336 2.821
173 H ALA 20 H ALA 20 -11.395 -6.704 1.449
174 HA ALA 20 HA ALA 20 -13.858 -5.464 1.308
175 HB1 ALA 20 1HB ALA 20 -13.767 -7.301 -0.041
176 HB2 ALA 20 2HB ALA 20 -14.677 -7.973 1.312
177 HB3 ALA 20 3HB ALA 20 -12.947 -8.283 1.173
178 H LYS 21 H LYS 21 -12.473 -7.303 3.903
179 HA LYS 21 HA LYS 21 -14.751 -6.581 5.585
180 HB2 LYS 21 2HB LYS 21 -13.545 -8.885 6.688
181 HB3 LYS 21 1HB LYS 21 -15.177 -8.694 6.071
182 HG2 LYS 21 2HG LYS 21 -12.916 -9.282 4.205
183 HG3 LYS 21 1HG LYS 21 -13.679 -10.576 5.131
184 HD2 LYS 21 2HD LYS 21 -15.813 -10.111 4.148
185 HD3 LYS 21 1HD LYS 21 -15.195 -8.649 3.376
186 HE2 LYS 21 2HE LYS 21 -15.109 -10.106 1.613
187 HE3 LYS 21 1HE LYS 21 -13.497 -10.339 2.289
188 HZ1 LYS 21 3HZ LYS 21 -14.252 -12.483 2.003
189 HZ2 LYS 21 1HZ LYS 21 -15.843 -12.114 2.447
190 HZ3 LYS 21 2HZ LYS 21 -14.634 -12.204 3.627
191 H LYS 22 H LYS 22 -13.235 -4.831 5.731
192 HA LYS 22 HA LYS 22 -11.197 -5.273 7.806
193 HB2 LYS 22 2HB LYS 22 -10.411 -4.395 5.567
194 HB3 LYS 22 1HB LYS 22 -11.306 -2.923 5.919
195 HG2 LYS 22 2HG LYS 22 -9.832 -2.238 7.513
196 HG3 LYS 22 1HG LYS 22 -9.367 -3.884 7.948
197 HD2 LYS 22 2HD LYS 22 -7.473 -3.165 6.858
198 HD3 LYS 22 1HD LYS 22 -8.360 -3.913 5.529
199 HE2 LYS 22 2HE LYS 22 -9.054 -1.831 4.681
200 HE3 LYS 22 1HE LYS 22 -8.613 -0.989 6.166
201 HZ1 LYS 22 3HZ LYS 22 -6.663 -2.289 4.344
202 HZ2 LYS 22 1HZ LYS 22 -6.309 -1.321 5.686
203 HZ3 LYS 22 2HZ LYS 22 -7.035 -0.639 4.320
204 H LYS 23 H LYS 23 -14.174 -3.797 7.117
205 HA LYS 23 HA LYS 23 -14.091 -2.418 9.693
206 HB2 LYS 23 2HB LYS 23 -15.602 -0.640 8.497
207 HB3 LYS 23 1HB LYS 23 -13.852 -0.523 8.395
208 HG2 LYS 23 2HG LYS 23 -14.167 -0.333 6.199
209 HG3 LYS 23 1HG LYS 23 -14.463 -2.071 6.217
210 HD2 LYS 23 2HD LYS 23 -16.896 -1.496 6.684
211 HD3 LYS 23 1HD LYS 23 -16.473 0.164 6.258
212 HE2 LYS 23 2HE LYS 23 -17.315 -0.810 4.283
213 HE3 LYS 23 1HE LYS 23 -15.563 -0.770 4.089
214 HZ1 LYS 23 3HZ LYS 23 -15.853 -3.168 5.168
215 HZ2 LYS 23 1HZ LYS 23 -15.910 -2.903 3.497
216 HZ3 LYS 23 2HZ LYS 23 -17.346 -3.051 4.380
217 H ARG 24 H ARG 24 -15.119 -4.763 9.699
218 HA ARG 24 HA ARG 24 -18.025 -4.331 9.682
219 HB2 ARG 24 2HB ARG 24 -16.558 -6.756 8.640
220 HB3 ARG 24 1HB ARG 24 -18.282 -6.737 8.981
221 HG2 ARG 24 2HG ARG 24 -17.594 -4.510 7.312
222 HG3 ARG 24 1HG ARG 24 -16.989 -6.010 6.606
223 HD2 ARG 24 2HD ARG 24 -19.231 -5.558 5.808
224 HD3 ARG 24 1HD ARG 24 -19.228 -6.998 6.826
225 HE ARG 24 HE ARG 24 -19.868 -5.028 8.559
226 HH11 ARG 24 1HH1 ARG 24 -21.155 -5.972 5.456
227 HH12 ARG 24 2HH1 ARG 24 -22.759 -5.428 5.816
228 HH21 ARG 24 1HH2 ARG 24 -21.976 -4.313 9.035
229 HH22 ARG 24 2HH2 ARG 24 -23.226 -4.486 7.847
Start of MODEL 3
1 H2 PRO 1 1HT PRO 1 -1.282 15.617 -3.576
2 H3 PRO 1 2HT PRO 1 0.326 15.802 -3.873
3 HA PRO 1 HA PRO 1 0.395 14.392 -5.399
4 HB2 PRO 1 2HB PRO 1 -1.499 12.367 -4.839
5 HB3 PRO 1 1HB PRO 1 0.259 12.268 -4.681
6 HG2 PRO 1 2HG PRO 1 -1.797 12.867 -2.621
7 HG3 PRO 1 1HG PRO 1 -0.240 12.037 -2.451
8 HD2 PRO 1 2HD PRO 1 -0.555 14.528 -1.556
9 HD3 PRO 1 1HD PRO 1 0.955 14.038 -2.346
10 H LEU 2 H LEU 2 -2.956 13.714 -4.432
11 HA LEU 2 HA LEU 2 -3.847 15.147 -6.840
12 HB2 LEU 2 2HB LEU 2 -5.603 13.064 -5.663
13 HB3 LEU 2 1HB LEU 2 -5.326 13.479 -7.341
14 HG LEU 2 HG LEU 2 -2.973 12.371 -6.870
15 HD11 LEU 2 1HD1 LEU 2 -4.007 12.047 -4.403
16 HD12 LEU 2 2HD1 LEU 2 -2.804 10.968 -5.110
17 HD13 LEU 2 3HD1 LEU 2 -4.511 10.535 -5.157
18 HD21 LEU 2 3HD2 LEU 2 -4.329 11.512 -8.573
19 HD22 LEU 2 1HD2 LEU 2 -5.603 11.045 -7.445
20 HD23 LEU 2 2HD2 LEU 2 -4.085 10.147 -7.481
21 H SER 3 H SER 3 -6.475 14.113 -4.993
22 HA SER 3 HA SER 3 -6.525 16.555 -3.386
23 HB2 SER 3 2HB SER 3 -7.830 16.815 -5.568
24 HB3 SER 3 1HB SER 3 -8.935 15.593 -4.937
25 HG SER 3 HG SER 3 -9.652 17.703 -4.453
26 H ARG 4 H ARG 4 -6.989 13.241 -3.756
27 HA ARG 4 HA ARG 4 -8.489 13.048 -1.240
28 HB2 ARG 4 2HB ARG 4 -9.511 11.107 -2.059
29 HB3 ARG 4 1HB ARG 4 -9.495 12.200 -3.432
30 HG2 ARG 4 2HG ARG 4 -7.174 10.898 -3.837
31 HG3 ARG 4 1HG ARG 4 -8.107 9.627 -3.047
32 HD2 ARG 4 2HD ARG 4 -9.246 11.242 -5.304
33 HD3 ARG 4 1HD ARG 4 -8.218 9.848 -5.611
34 HE ARG 4 HE ARG 4 -9.875 8.444 -4.709
35 HH11 ARG 4 1HH1 ARG 4 -10.872 11.797 -4.745
36 HH12 ARG 4 2HH1 ARG 4 -12.547 11.424 -4.525
37 HH21 ARG 4 1HH2 ARG 4 -12.077 7.966 -4.421
38 HH22 ARG 4 2HH2 ARG 4 -13.231 9.255 -4.339
39 H GLY 5 H GLY 5 -5.845 11.898 -3.150
40 HA2 GLY 5 2HA GLY 5 -3.754 11.207 -2.266
41 HA3 GLY 5 1HA GLY 5 -4.563 10.805 -0.754
42 H LYS 6 H LYS 6 -5.809 9.909 -3.900
43 HA LYS 6 HA LYS 6 -6.185 7.225 -3.223
44 HB2 LYS 6 2HB LYS 6 -6.488 6.826 -5.626
45 HB3 LYS 6 1HB LYS 6 -7.468 8.128 -4.969
46 HG2 LYS 6 2HG LYS 6 -6.387 9.736 -6.173
47 HG3 LYS 6 1HG LYS 6 -4.859 8.856 -6.170
48 HD2 LYS 6 2HD LYS 6 -5.826 8.950 -8.414
49 HD3 LYS 6 1HD LYS 6 -5.745 7.291 -7.820
50 HE2 LYS 6 2HE LYS 6 -8.249 8.669 -7.188
51 HE3 LYS 6 1HE LYS 6 -7.953 8.475 -8.914
52 HZ1 LYS 6 3HZ LYS 6 -7.483 6.133 -7.252
53 HZ2 LYS 6 1HZ LYS 6 -8.174 6.248 -8.793
54 HZ3 LYS 6 2HZ LYS 6 -9.096 6.611 -7.422
55 H LYS 7 H LYS 7 -3.352 8.838 -4.032
56 HA LYS 7 HA LYS 7 -1.843 6.930 -5.358
57 HB2 LYS 7 2HB LYS 7 0.066 7.857 -3.935
58 HB3 LYS 7 1HB LYS 7 -0.808 9.010 -4.931
59 HG2 LYS 7 2HG LYS 7 -0.729 10.191 -2.999
60 HG3 LYS 7 1HG LYS 7 -2.216 9.291 -2.702
61 HD2 LYS 7 2HD LYS 7 -0.654 7.525 -1.640
62 HD3 LYS 7 1HD LYS 7 0.521 8.841 -1.579
63 HE2 LYS 7 2HE LYS 7 -0.863 10.140 -0.174
64 HE3 LYS 7 1HE LYS 7 -2.261 9.106 -0.471
65 HZ1 LYS 7 3HZ LYS 7 -0.015 8.718 1.342
66 HZ2 LYS 7 1HZ LYS 7 -0.602 7.334 0.565
67 HZ3 LYS 7 2HZ LYS 7 -1.637 8.273 1.517
68 H TRP 8 H TRP 8 -3.249 7.027 -2.323
69 HA TRP 8 HA TRP 8 -1.696 5.001 -1.004
70 HB2 TRP 8 2HB TRP 8 -3.050 5.296 0.840
71 HB3 TRP 8 1HB TRP 8 -3.282 6.852 0.049
72 HD1 TRP 8 HD TRP 8 -5.491 6.713 -1.768
73 HE1 TRP 8 1HE TRP 8 -7.864 5.933 -1.241
74 HE3 TRP 8 3HE TRP 8 -4.432 3.728 2.205
75 HZ2 TRP 8 2HZ TRP 8 -9.130 4.258 0.660
76 HZ3 TRP 8 3HZ TRP 8 -6.272 2.578 3.341
77 HH2 TRP 8 HH TRP 8 -8.568 2.818 2.567
78 H THR 9 H THR 9 -4.720 5.238 -2.700
79 HA THR 9 HA THR 9 -5.776 2.753 -2.268
80 HB THR 9 HB THR 9 -6.317 4.910 -3.980
81 HG1 THR 9 1HG THR 9 -7.792 3.669 -2.676
82 HG21 THR 9 3HG2 THR 9 -5.225 3.716 -5.803
83 HG22 THR 9 1HG2 THR 9 -6.964 3.866 -6.060
84 HG23 THR 9 2HG2 THR 9 -6.282 2.332 -5.519
85 H GLU 10 H GLU 10 -3.156 3.775 -4.172
86 HA GLU 10 HA GLU 10 -2.719 1.663 -5.878
87 HB2 GLU 10 2HB GLU 10 -1.317 3.601 -5.959
88 HB3 GLU 10 1HB GLU 10 -0.938 3.460 -4.245
89 HG2 GLU 10 2HG GLU 10 -0.175 1.046 -5.422
90 HG3 GLU 10 1HG GLU 10 0.412 2.332 -6.467
91 H LYS 11 H LYS 11 -1.940 2.168 -2.530
92 HA LYS 11 HA LYS 11 -0.551 -0.213 -2.029
93 HB2 LYS 11 2HB LYS 11 -2.159 1.485 -0.179
94 HB3 LYS 11 1HB LYS 11 -0.938 0.308 0.291
95 HG2 LYS 11 2HG LYS 11 0.795 1.581 -0.601
96 HG3 LYS 11 1HG LYS 11 -0.320 2.597 -1.515
97 HD2 LYS 11 2HD LYS 11 0.761 3.105 1.031
98 HD3 LYS 11 1HD LYS 11 -0.471 4.035 0.181
99 HE2 LYS 11 2HE LYS 11 -2.229 2.796 1.211
100 HE3 LYS 11 1HE LYS 11 -1.093 1.622 1.877
101 HZ1 LYS 11 3HZ LYS 11 -1.460 4.453 2.685
102 HZ2 LYS 11 1HZ LYS 11 -0.121 3.535 3.162
103 HZ3 LYS 11 2HZ LYS 11 -1.678 3.066 3.629
104 H LEU 12 H LEU 12 -3.851 0.569 -2.281
105 HA LEU 12 HA LEU 12 -4.574 -1.933 -0.974
106 HB2 LEU 12 2HB LEU 12 -6.866 -0.621 -1.897
107 HB3 LEU 12 1HB LEU 12 -6.394 -1.053 -0.280
108 HG LEU 12 HG LEU 12 -6.411 1.537 -1.608
109 HD11 LEU 12 1HD1 LEU 12 -6.220 1.630 1.162
110 HD12 LEU 12 2HD1 LEU 12 -7.186 0.213 0.779
111 HD13 LEU 12 3HD1 LEU 12 -7.658 1.797 0.168
112 HD21 LEU 12 3HD2 LEU 12 -4.150 1.753 -1.489
113 HD22 LEU 12 1HD2 LEU 12 -3.978 0.523 -0.255
114 HD23 LEU 12 2HD2 LEU 12 -4.519 2.130 0.185
115 H ALA 13 H ALA 13 -4.464 -0.203 -3.889
116 HA ALA 13 HA ALA 13 -5.858 -2.061 -5.511
117 HB1 ALA 13 1HB ALA 13 -3.562 -0.189 -6.117
118 HB2 ALA 13 2HB ALA 13 -5.263 0.037 -6.520
119 HB3 ALA 13 3HB ALA 13 -4.321 -1.206 -7.342
120 H ARG 14 H ARG 14 -3.051 -2.056 -3.569
121 HA ARG 14 HA ARG 14 -2.108 -4.568 -4.851
122 HB2 ARG 14 2HB ARG 14 0.051 -4.065 -3.823
123 HB3 ARG 14 1HB ARG 14 -0.474 -2.726 -4.847
124 HG2 ARG 14 2HG ARG 14 -0.420 -1.334 -3.125
125 HG3 ARG 14 1HG ARG 14 -1.524 -2.370 -2.235
126 HD2 ARG 14 2HD ARG 14 0.593 -1.935 -1.068
127 HD3 ARG 14 1HD ARG 14 0.234 -3.640 -1.334
128 HE ARG 14 HE ARG 14 2.183 -3.785 -2.506
129 HH11 ARG 14 1HH1 ARG 14 1.170 -0.434 -2.578
130 HH12 ARG 14 2HH1 ARG 14 2.550 0.090 -3.481
131 HH21 ARG 14 1HH2 ARG 14 3.997 -3.084 -3.679
132 HH22 ARG 14 2HH2 ARG 14 4.155 -1.411 -4.099
133 H PHE 15 H PHE 15 -3.586 -3.190 -2.053
134 HA PHE 15 HA PHE 15 -2.886 -5.633 -0.580
135 HB2 PHE 15 2HB PHE 15 -2.812 -4.487 1.485
136 HB3 PHE 15 1HB PHE 15 -1.828 -3.594 0.347
137 HD1 PHE 15 2HD PHE 15 -5.505 -3.454 1.061
138 HD2 PHE 15 1HD PHE 15 -1.751 -1.474 0.976
139 HE1 PHE 15 2HE PHE 15 -6.573 -1.417 1.738
140 HE2 PHE 15 1HE PHE 15 -2.801 0.566 1.671
141 HZ PHE 15 HZ PHE 15 -5.232 0.633 2.111
142 H GLN 16 H GLN 16 -5.468 -3.386 -1.283
143 HA GLN 16 HA GLN 16 -7.532 -4.193 0.263
144 HB2 GLN 16 2HB GLN 16 -7.294 -3.426 -2.584
145 HB3 GLN 16 1HB GLN 16 -8.809 -4.171 -2.104
146 HG2 GLN 16 2HG GLN 16 -7.855 -2.072 -0.316
147 HG3 GLN 16 1HG GLN 16 -8.244 -1.537 -1.950
148 HE21 GLN 16 1HE2 GLN 16 -9.596 -0.910 0.538
149 HE22 GLN 16 2HE2 GLN 16 -11.228 -1.446 0.359
150 H ARG 17 H ARG 17 -5.894 -6.027 -2.124
151 HA ARG 17 HA ARG 17 -7.513 -8.088 -2.814
152 HB2 ARG 17 2HB ARG 17 -5.195 -9.406 -2.501
153 HB3 ARG 17 1HB ARG 17 -5.502 -8.307 -3.837
154 HG2 ARG 17 2HG ARG 17 -4.207 -6.593 -2.882
155 HG3 ARG 17 1HG ARG 17 -4.240 -7.339 -1.285
156 HD2 ARG 17 2HD ARG 17 -2.107 -7.809 -2.047
157 HD3 ARG 17 1HD ARG 17 -3.000 -9.288 -2.401
158 HE ARG 17 HE ARG 17 -3.173 -7.732 -4.671
159 HH11 ARG 17 1HH1 ARG 17 -0.622 -9.185 -2.783
160 HH12 ARG 17 2HH1 ARG 17 0.437 -9.386 -4.138
161 HH21 ARG 17 1HH2 ARG 17 -1.783 -7.996 -6.455
162 HH22 ARG 17 2HH2 ARG 17 -0.221 -8.709 -6.224
163 H SER 18 H SER 18 -5.375 -8.009 -0.034
164 HA SER 18 HA SER 18 -6.910 -10.198 1.195
165 HB2 SER 18 2HB SER 18 -4.106 -9.233 1.734
166 HB3 SER 18 1HB SER 18 -4.919 -10.510 2.638
167 HG SER 18 HG SER 18 -5.133 -11.620 0.592
168 H SER 19 H SER 19 -7.149 -7.086 1.195
169 HA SER 19 HA SER 19 -6.730 -6.056 3.722
170 HB2 SER 19 2HB SER 19 -8.481 -5.416 1.462
171 HB3 SER 19 1HB SER 19 -9.118 -4.886 3.017
172 HG SER 19 HG SER 19 -7.778 -3.297 2.099
173 H ALA 20 H ALA 20 -8.790 -8.610 2.899
174 HA ALA 20 HA ALA 20 -10.975 -8.386 4.545
175 HB1 ALA 20 1HB ALA 20 -11.118 -10.270 3.290
176 HB2 ALA 20 2HB ALA 20 -10.544 -10.998 4.791
177 HB3 ALA 20 3HB ALA 20 -9.408 -10.657 3.486
178 H LYS 21 H LYS 21 -7.715 -9.144 5.387
179 HA LYS 21 HA LYS 21 -7.142 -10.257 7.508
180 HB2 LYS 21 2HB LYS 21 -6.695 -7.435 6.927
181 HB3 LYS 21 1HB LYS 21 -6.517 -7.855 8.623
182 HG2 LYS 21 2HG LYS 21 -4.374 -8.104 7.779
183 HG3 LYS 21 1HG LYS 21 -5.006 -9.752 7.785
184 HD2 LYS 21 2HD LYS 21 -5.434 -9.671 5.436
185 HD3 LYS 21 1HD LYS 21 -5.080 -7.943 5.377
186 HE2 LYS 21 2HE LYS 21 -2.837 -8.262 5.400
187 HE3 LYS 21 1HE LYS 21 -2.943 -9.682 6.438
188 HZ1 LYS 21 3HZ LYS 21 -3.228 -9.503 3.512
189 HZ2 LYS 21 1HZ LYS 21 -3.951 -10.781 4.355
190 HZ3 LYS 21 2HZ LYS 21 -2.275 -10.559 4.429
191 H LYS 22 H LYS 22 -9.278 -10.844 8.005
192 HA LYS 22 HA LYS 22 -10.736 -9.264 9.963
193 HB2 LYS 22 2HB LYS 22 -12.286 -11.255 9.980
194 HB3 LYS 22 1HB LYS 22 -12.114 -10.443 8.430
195 HG2 LYS 22 2HG LYS 22 -10.908 -12.181 7.502
196 HG3 LYS 22 1HG LYS 22 -10.405 -12.804 9.074
197 HD2 LYS 22 2HD LYS 22 -12.042 -14.308 8.846
198 HD3 LYS 22 1HD LYS 22 -13.159 -12.979 9.168
199 HE2 LYS 22 2HE LYS 22 -14.044 -13.583 7.186
200 HE3 LYS 22 1HE LYS 22 -12.722 -12.620 6.529
201 HZ1 LYS 22 3HZ LYS 22 -11.465 -14.894 6.726
202 HZ2 LYS 22 1HZ LYS 22 -12.437 -14.550 5.385
203 HZ3 LYS 22 2HZ LYS 22 -13.029 -15.530 6.630
204 H LYS 23 H LYS 23 -7.994 -10.818 10.311
205 HA LYS 23 HA LYS 23 -8.642 -11.704 13.022
206 HB2 LYS 23 2HB LYS 23 -7.170 -13.655 12.787
207 HB3 LYS 23 1HB LYS 23 -8.516 -13.732 11.658
208 HG2 LYS 23 2HG LYS 23 -6.070 -12.470 10.622
209 HG3 LYS 23 1HG LYS 23 -5.947 -14.191 10.991
210 HD2 LYS 23 2HD LYS 23 -8.397 -13.495 9.570
211 HD3 LYS 23 1HD LYS 23 -6.936 -13.104 8.663
212 HE2 LYS 23 2HE LYS 23 -6.261 -15.544 9.498
213 HE3 LYS 23 1HE LYS 23 -8.014 -15.736 9.501
214 HZ1 LYS 23 3HZ LYS 23 -6.495 -16.132 7.356
215 HZ2 LYS 23 1HZ LYS 23 -6.880 -14.500 7.131
216 HZ3 LYS 23 2HZ LYS 23 -8.113 -15.649 7.269
217 H ARG 24 H ARG 24 -7.737 -9.312 12.795
218 HA ARG 24 HA ARG 24 -4.873 -9.489 13.452
219 HB2 ARG 24 2HB ARG 24 -4.628 -7.185 12.482
220 HB3 ARG 24 1HB ARG 24 -4.948 -8.450 11.304
221 HG2 ARG 24 2HG ARG 24 -6.658 -7.279 10.540
222 HG3 ARG 24 1HG ARG 24 -7.451 -7.435 12.109
223 HD2 ARG 24 2HD ARG 24 -7.282 -5.101 11.480
224 HD3 ARG 24 1HD ARG 24 -6.277 -5.426 12.888
225 HE ARG 24 HE ARG 24 -5.338 -4.877 10.165
226 HH11 ARG 24 1HH1 ARG 24 -4.604 -5.428 13.541
227 HH12 ARG 24 2HH1 ARG 24 -2.979 -4.853 13.403
228 HH21 ARG 24 1HH2 ARG 24 -3.201 -4.126 9.995
229 HH22 ARG 24 2HH2 ARG 24 -2.182 -4.116 11.395
Start of MODEL 4
1 H2 PRO 1 1HT PRO 1 -1.704 16.686 -5.400
2 H3 PRO 1 2HT PRO 1 -0.510 15.569 -5.575
3 HA PRO 1 HA PRO 1 -1.789 14.029 -5.153
4 HB2 PRO 1 2HB PRO 1 -3.048 14.373 -2.746
5 HB3 PRO 1 1HB PRO 1 -1.389 13.789 -2.920
6 HG2 PRO 1 2HG PRO 1 -2.375 16.560 -2.379
7 HG3 PRO 1 1HG PRO 1 -1.046 15.675 -1.604
8 HD2 PRO 1 2HD PRO 1 -0.554 17.511 -3.486
9 HD3 PRO 1 1HD PRO 1 0.397 16.016 -3.402
10 H LEU 2 H LEU 2 -4.343 14.030 -3.729
11 HA LEU 2 HA LEU 2 -5.924 15.698 -5.561
12 HB2 LEU 2 2HB LEU 2 -7.054 13.174 -4.434
13 HB3 LEU 2 1HB LEU 2 -7.382 13.953 -5.967
14 HG LEU 2 HG LEU 2 -5.015 13.207 -6.630
15 HD11 LEU 2 1HD1 LEU 2 -3.912 12.446 -4.794
16 HD12 LEU 2 2HD1 LEU 2 -4.648 10.928 -5.305
17 HD13 LEU 2 3HD1 LEU 2 -5.384 11.871 -4.010
18 HD21 LEU 2 3HD2 LEU 2 -6.808 12.185 -7.721
19 HD22 LEU 2 1HD2 LEU 2 -7.385 11.412 -6.245
20 HD23 LEU 2 2HD2 LEU 2 -5.913 10.833 -7.027
21 H SER 3 H SER 3 -7.907 14.017 -3.421
22 HA SER 3 HA SER 3 -7.785 16.096 -1.372
23 HB2 SER 3 2HB SER 3 -9.705 16.214 -3.279
24 HB3 SER 3 1HB SER 3 -10.495 15.143 -2.122
25 HG SER 3 HG SER 3 -9.901 16.814 -0.521
26 H ARG 4 H ARG 4 -7.971 12.884 -2.317
27 HA ARG 4 HA ARG 4 -8.805 11.986 0.352
28 HB2 ARG 4 2HB ARG 4 -9.719 10.079 -0.639
29 HB3 ARG 4 1HB ARG 4 -10.135 11.362 -1.765
30 HG2 ARG 4 2HG ARG 4 -7.796 10.561 -2.826
31 HG3 ARG 4 1HG ARG 4 -8.339 9.041 -2.116
32 HD2 ARG 4 2HD ARG 4 -10.299 10.653 -3.665
33 HD3 ARG 4 1HD ARG 4 -9.040 9.801 -4.559
34 HE ARG 4 HE ARG 4 -10.017 7.881 -2.942
35 HH11 ARG 4 1HH1 ARG 4 -11.559 10.141 -5.110
36 HH12 ARG 4 2HH1 ARG 4 -12.888 9.089 -5.462
37 HH21 ARG 4 1HH2 ARG 4 -11.764 6.497 -3.404
38 HH22 ARG 4 2HH2 ARG 4 -13.005 7.020 -4.494
39 H GLY 5 H GLY 5 -6.530 11.714 -2.233
40 HA2 GLY 5 2HA GLY 5 -4.263 11.166 -2.097
41 HA3 GLY 5 1HA GLY 5 -4.527 10.588 -0.453
42 H LYS 6 H LYS 6 -6.276 9.771 -3.419
43 HA LYS 6 HA LYS 6 -6.448 7.055 -2.838
44 HB2 LYS 6 2HB LYS 6 -6.892 6.767 -5.288
45 HB3 LYS 6 1HB LYS 6 -7.964 7.825 -4.382
46 HG2 LYS 6 2HG LYS 6 -7.557 9.486 -5.794
47 HG3 LYS 6 1HG LYS 6 -5.834 9.390 -5.432
48 HD2 LYS 6 2HD LYS 6 -6.759 7.268 -7.210
49 HD3 LYS 6 1HD LYS 6 -6.998 8.886 -7.872
50 HE2 LYS 6 2HE LYS 6 -4.592 9.354 -7.286
51 HE3 LYS 6 1HE LYS 6 -4.425 7.636 -6.931
52 HZ1 LYS 6 3HZ LYS 6 -5.593 8.275 -9.508
53 HZ2 LYS 6 1HZ LYS 6 -4.447 7.100 -9.099
54 HZ3 LYS 6 2HZ LYS 6 -3.968 8.706 -9.326
55 H LYS 7 H LYS 7 -3.749 8.785 -3.863
56 HA LYS 7 HA LYS 7 -2.359 6.952 -5.421
57 HB2 LYS 7 2HB LYS 7 -0.589 8.318 -5.048
58 HB3 LYS 7 1HB LYS 7 -1.804 9.362 -4.336
59 HG2 LYS 7 2HG LYS 7 -0.255 7.388 -2.700
60 HG3 LYS 7 1HG LYS 7 0.348 9.006 -3.044
61 HD2 LYS 7 2HD LYS 7 -2.229 8.321 -1.641
62 HD3 LYS 7 1HD LYS 7 -0.769 8.962 -0.891
63 HE2 LYS 7 2HE LYS 7 -1.073 10.882 -2.634
64 HE3 LYS 7 1HE LYS 7 -2.740 10.312 -2.678
65 HZ1 LYS 7 3HZ LYS 7 -2.778 11.915 -1.036
66 HZ2 LYS 7 1HZ LYS 7 -1.251 11.507 -0.434
67 HZ3 LYS 7 2HZ LYS 7 -2.575 10.502 -0.129
68 H TRP 8 H TRP 8 -3.419 6.930 -2.261
69 HA TRP 8 HA TRP 8 -1.685 4.924 -1.162
70 HB2 TRP 8 2HB TRP 8 -2.846 5.136 0.821
71 HB3 TRP 8 1HB TRP 8 -3.179 6.706 0.101
72 HD1 TRP 8 HD TRP 8 -5.575 6.523 -1.506
73 HE1 TRP 8 1HE TRP 8 -7.865 5.724 -0.712
74 HE3 TRP 8 3HE TRP 8 -4.043 3.620 2.368
75 HZ2 TRP 8 2HZ TRP 8 -8.892 4.067 1.343
76 HZ3 TRP 8 3HZ TRP 8 -5.733 2.467 3.718
77 HH2 TRP 8 HH TRP 8 -8.103 2.667 3.199
78 H THR 9 H THR 9 -4.866 5.107 -2.550
79 HA THR 9 HA THR 9 -5.799 2.556 -2.123
80 HB THR 9 HB THR 9 -6.545 4.765 -3.712
81 HG1 THR 9 1HG THR 9 -8.528 3.756 -3.650
82 HG21 THR 9 3HG2 THR 9 -7.367 3.723 -5.742
83 HG22 THR 9 1HG2 THR 9 -6.552 2.220 -5.307
84 HG23 THR 9 2HG2 THR 9 -5.606 3.665 -5.661
85 H GLU 10 H GLU 10 -3.407 3.810 -4.184
86 HA GLU 10 HA GLU 10 -3.008 1.778 -6.021
87 HB2 GLU 10 2HB GLU 10 -1.227 3.102 -6.531
88 HB3 GLU 10 1HB GLU 10 -1.805 4.150 -5.253
89 HG2 GLU 10 2HG GLU 10 0.420 3.886 -4.725
90 HG3 GLU 10 1HG GLU 10 -0.365 2.703 -3.691
91 H LYS 11 H LYS 11 -2.103 2.090 -2.690
92 HA LYS 11 HA LYS 11 -0.583 -0.320 -2.633
93 HB2 LYS 11 2HB LYS 11 -1.786 0.841 -0.198
94 HB3 LYS 11 1HB LYS 11 -0.217 0.086 -0.399
95 HG2 LYS 11 2HG LYS 11 0.747 2.010 -1.203
96 HG3 LYS 11 1HG LYS 11 -0.795 2.701 -1.700
97 HD2 LYS 11 2HD LYS 11 0.613 2.977 0.805
98 HD3 LYS 11 1HD LYS 11 -0.773 3.877 0.197
99 HE2 LYS 11 2HE LYS 11 -2.286 2.143 1.013
100 HE3 LYS 11 1HE LYS 11 -0.913 1.181 1.563
101 HZ1 LYS 11 3HZ LYS 11 -0.341 2.954 3.112
102 HZ2 LYS 11 1HZ LYS 11 -1.917 2.401 3.386
103 HZ3 LYS 11 2HZ LYS 11 -1.663 3.870 2.588
104 H LEU 12 H LEU 12 -3.831 0.668 -1.943
105 HA LEU 12 HA LEU 12 -4.445 -1.908 -0.853
106 HB2 LEU 12 2HB LEU 12 -6.798 -0.562 -1.631
107 HB3 LEU 12 1HB LEU 12 -6.268 -1.147 -0.084
108 HG LEU 12 HG LEU 12 -6.480 1.545 -1.037
109 HD11 LEU 12 1HD1 LEU 12 -6.899 -0.053 1.194
110 HD12 LEU 12 2HD1 LEU 12 -7.274 1.649 0.988
111 HD13 LEU 12 3HD1 LEU 12 -5.729 1.167 1.678
112 HD21 LEU 12 3HD2 LEU 12 -3.796 0.592 -0.110
113 HD22 LEU 12 1HD2 LEU 12 -4.358 2.203 0.302
114 HD23 LEU 12 2HD2 LEU 12 -4.199 1.728 -1.380
115 H ALA 13 H ALA 13 -4.466 -0.156 -3.730
116 HA ALA 13 HA ALA 13 -5.930 -2.008 -5.328
117 HB1 ALA 13 1HB ALA 13 -4.913 -0.955 -7.219
118 HB2 ALA 13 2HB ALA 13 -3.569 -0.355 -6.247
119 HB3 ALA 13 3HB ALA 13 -5.180 0.334 -6.045
120 H ARG 14 H ARG 14 -3.153 -2.001 -3.430
121 HA ARG 14 HA ARG 14 -1.935 -4.266 -4.863
122 HB2 ARG 14 2HB ARG 14 0.066 -3.638 -4.009
123 HB3 ARG 14 1HB ARG 14 -0.729 -2.098 -3.705
124 HG2 ARG 14 2HG ARG 14 -1.422 -3.230 -1.436
125 HG3 ARG 14 1HG ARG 14 -0.058 -4.285 -1.778
126 HD2 ARG 14 2HD ARG 14 0.147 -1.314 -1.841
127 HD3 ARG 14 1HD ARG 14 0.358 -2.237 -0.367
128 HE ARG 14 HE ARG 14 2.345 -3.144 -1.247
129 HH11 ARG 14 1HH1 ARG 14 0.885 -0.857 -3.482
130 HH12 ARG 14 2HH1 ARG 14 2.346 -0.629 -4.378
131 HH21 ARG 14 1HH2 ARG 14 4.241 -2.843 -2.452
132 HH22 ARG 14 2HH2 ARG 14 4.240 -1.761 -3.805
133 H PHE 15 H PHE 15 -3.663 -3.319 -1.950
134 HA PHE 15 HA PHE 15 -3.386 -6.118 -1.079
135 HB2 PHE 15 2HB PHE 15 -3.618 -5.280 1.225
136 HB3 PHE 15 1HB PHE 15 -2.181 -4.717 0.393
137 HD1 PHE 15 2HD PHE 15 -5.628 -3.667 1.301
138 HD2 PHE 15 1HD PHE 15 -1.647 -2.526 0.363
139 HE1 PHE 15 2HE PHE 15 -6.104 -1.426 2.006
140 HE2 PHE 15 1HE PHE 15 -2.107 -0.292 1.071
141 HZ PHE 15 HZ PHE 15 -4.338 0.311 1.932
142 H GLN 16 H GLN 16 -5.582 -3.360 -1.015
143 HA GLN 16 HA GLN 16 -7.822 -4.580 0.030
144 HB2 GLN 16 2HB GLN 16 -7.327 -2.402 -1.911
145 HB3 GLN 16 1HB GLN 16 -8.971 -3.016 -1.784
146 HG2 GLN 16 2HG GLN 16 -7.456 -2.325 0.671
147 HG3 GLN 16 1HG GLN 16 -8.169 -1.042 -0.305
148 HE21 GLN 16 1HE2 GLN 16 -10.154 -0.464 0.230
149 HE22 GLN 16 2HE2 GLN 16 -11.312 -1.441 1.061
150 H ARG 17 H ARG 17 -6.233 -5.210 -2.913
151 HA ARG 17 HA ARG 17 -8.039 -6.121 -4.699
152 HB2 ARG 17 2HB ARG 17 -6.190 -8.081 -4.907
153 HB3 ARG 17 1HB ARG 17 -5.965 -6.460 -5.545
154 HG2 ARG 17 2HG ARG 17 -4.390 -5.924 -4.003
155 HG3 ARG 17 1HG ARG 17 -5.156 -6.879 -2.734
156 HD2 ARG 17 2HD ARG 17 -3.040 -7.868 -3.322
157 HD3 ARG 17 1HD ARG 17 -4.351 -8.932 -3.824
158 HE ARG 17 HE ARG 17 -3.646 -7.265 -5.971
159 HH11 ARG 17 1HH1 ARG 17 -2.379 -9.943 -4.128
160 HH12 ARG 17 2HH1 ARG 17 -1.431 -10.559 -5.438
161 HH21 ARG 17 1HH2 ARG 17 -2.398 -8.074 -7.698
162 HH22 ARG 17 2HH2 ARG 17 -1.440 -9.498 -7.465
163 H SER 18 H SER 18 -6.689 -7.961 -2.047
164 HA SER 18 HA SER 18 -8.999 -9.790 -2.186
165 HB2 SER 18 2HB SER 18 -6.382 -10.601 -0.982
166 HB3 SER 18 1HB SER 18 -7.671 -11.614 -1.630
167 HG SER 18 HG SER 18 -6.995 -11.215 -3.652
168 H SER 19 H SER 19 -7.536 -7.405 -0.407
169 HA SER 19 HA SER 19 -7.757 -8.321 2.243
170 HB2 SER 19 2HB SER 19 -6.943 -5.996 1.033
171 HB3 SER 19 1HB SER 19 -8.420 -5.492 1.850
172 HG SER 19 HG SER 19 -6.227 -6.836 3.057
173 H ALA 20 H ALA 20 -10.148 -7.989 -0.013
174 HA ALA 20 HA ALA 20 -12.318 -6.774 1.056
175 HB1 ALA 20 1HB ALA 20 -11.952 -8.417 -1.038
176 HB2 ALA 20 2HB ALA 20 -13.539 -7.905 -0.466
177 HB3 ALA 20 3HB ALA 20 -12.889 -9.470 0.022
178 H LYS 21 H LYS 21 -10.906 -9.758 2.090
179 HA LYS 21 HA LYS 21 -12.706 -9.791 4.397
180 HB2 LYS 21 2HB LYS 21 -11.573 -12.253 3.099
181 HB3 LYS 21 1HB LYS 21 -12.740 -12.173 4.411
182 HG2 LYS 21 2HG LYS 21 -14.303 -12.431 2.847
183 HG3 LYS 21 1HG LYS 21 -13.972 -10.756 2.402
184 HD2 LYS 21 2HD LYS 21 -12.629 -11.365 0.607
185 HD3 LYS 21 1HD LYS 21 -12.326 -12.978 1.257
186 HE2 LYS 21 2HE LYS 21 -15.009 -13.064 0.951
187 HE3 LYS 21 1HE LYS 21 -14.571 -11.975 -0.365
188 HZ1 LYS 21 3HZ LYS 21 -13.974 -14.807 -0.020
189 HZ2 LYS 21 1HZ LYS 21 -12.772 -13.862 -0.742
190 HZ3 LYS 21 2HZ LYS 21 -14.315 -13.938 -1.430
191 H LYS 22 H LYS 22 -10.856 -8.453 4.957
192 HA LYS 22 HA LYS 22 -8.724 -10.058 6.184
193 HB2 LYS 22 2HB LYS 22 -8.289 -8.238 4.223
194 HB3 LYS 22 1HB LYS 22 -8.119 -7.224 5.650
195 HG2 LYS 22 2HG LYS 22 -6.617 -9.796 5.217
196 HG3 LYS 22 1HG LYS 22 -5.990 -8.196 4.817
197 HD2 LYS 22 2HD LYS 22 -5.308 -7.933 6.916
198 HD3 LYS 22 1HD LYS 22 -6.971 -8.111 7.482
199 HE2 LYS 22 2HE LYS 22 -5.152 -10.436 6.882
200 HE3 LYS 22 1HE LYS 22 -5.317 -9.716 8.482
201 HZ1 LYS 22 3HZ LYS 22 -7.298 -11.245 6.928
202 HZ2 LYS 22 1HZ LYS 22 -7.815 -10.148 8.109
203 HZ3 LYS 22 2HZ LYS 22 -6.819 -11.445 8.538
204 H LYS 23 H LYS 23 -9.918 -6.750 6.410
205 HA LYS 23 HA LYS 23 -10.445 -7.148 9.260
206 HB2 LYS 23 2HB LYS 23 -9.399 -4.997 9.806
207 HB3 LYS 23 1HB LYS 23 -8.231 -6.115 9.115
208 HG2 LYS 23 2HG LYS 23 -9.590 -4.283 7.235
209 HG3 LYS 23 1HG LYS 23 -8.432 -3.568 8.358
210 HD2 LYS 23 2HD LYS 23 -6.676 -4.459 7.287
211 HD3 LYS 23 1HD LYS 23 -7.469 -6.025 7.107
212 HE2 LYS 23 2HE LYS 23 -6.918 -4.787 4.966
213 HE3 LYS 23 1HE LYS 23 -8.580 -5.352 5.141
214 HZ1 LYS 23 3HZ LYS 23 -7.783 -2.604 5.891
215 HZ2 LYS 23 1HZ LYS 23 -9.335 -3.200 5.577
216 HZ3 LYS 23 2HZ LYS 23 -8.235 -2.997 4.309
217 H ARG 24 H ARG 24 -12.479 -7.288 7.700
218 HA ARG 24 HA ARG 24 -13.672 -4.953 6.729
219 HB2 ARG 24 2HB ARG 24 -14.370 -7.671 6.964
220 HB3 ARG 24 1HB ARG 24 -15.659 -6.774 7.754
221 HG2 ARG 24 2HG ARG 24 -15.952 -5.424 5.735
222 HG3 ARG 24 1HG ARG 24 -14.668 -6.340 4.944
223 HD2 ARG 24 2HD ARG 24 -16.307 -8.332 5.826
224 HD3 ARG 24 1HD ARG 24 -17.467 -7.058 5.450
225 HE ARG 24 HE ARG 24 -15.891 -7.114 3.256
226 HH11 ARG 24 1HH1 ARG 24 -17.623 -9.589 5.003
227 HH12 ARG 24 2HH1 ARG 24 -17.885 -10.571 3.602
228 HH21 ARG 24 1HH2 ARG 24 -16.235 -8.405 1.411
229 HH22 ARG 24 2HH2 ARG 24 -17.096 -9.900 1.562
Start of MODEL 5
1 H2 PRO 1 1HT PRO 1 -9.542 15.441 -6.710
2 H3 PRO 1 2HT PRO 1 -11.050 15.048 -7.242
3 HA PRO 1 HA PRO 1 -10.440 13.360 -8.294
4 HB2 PRO 1 2HB PRO 1 -7.818 13.806 -9.264
5 HB3 PRO 1 1HB PRO 1 -9.325 13.817 -10.190
6 HG2 PRO 1 2HG PRO 1 -7.814 16.086 -9.006
7 HG3 PRO 1 1HG PRO 1 -8.795 16.033 -10.482
8 HD2 PRO 1 2HD PRO 1 -9.708 17.250 -8.295
9 HD3 PRO 1 1HD PRO 1 -10.798 16.281 -9.306
10 H LEU 2 H LEU 2 -7.184 14.497 -7.452
11 HA LEU 2 HA LEU 2 -6.883 12.155 -5.736
12 HB2 LEU 2 2HB LEU 2 -4.692 12.170 -6.175
13 HB3 LEU 2 1HB LEU 2 -5.246 13.018 -7.600
14 HG LEU 2 HG LEU 2 -3.464 14.330 -7.025
15 HD11 LEU 2 1HD1 LEU 2 -4.358 16.333 -6.621
16 HD12 LEU 2 2HD1 LEU 2 -4.987 15.839 -5.049
17 HD13 LEU 2 3HD1 LEU 2 -5.894 15.476 -6.514
18 HD21 LEU 2 3HD2 LEU 2 -2.330 13.934 -5.165
19 HD22 LEU 2 1HD2 LEU 2 -3.674 12.962 -4.567
20 HD23 LEU 2 2HD2 LEU 2 -3.600 14.684 -4.198
21 H SER 3 H SER 3 -8.296 14.718 -5.047
22 HA SER 3 HA SER 3 -6.748 15.882 -2.912
23 HB2 SER 3 2HB SER 3 -9.349 16.362 -4.170
24 HB3 SER 3 1HB SER 3 -9.409 16.518 -2.415
25 HG SER 3 HG SER 3 -7.447 17.788 -4.014
26 H ARG 4 H ARG 4 -7.589 12.987 -3.285
27 HA ARG 4 HA ARG 4 -8.796 12.452 -0.684
28 HB2 ARG 4 2HB ARG 4 -9.838 10.677 -1.694
29 HB3 ARG 4 1HB ARG 4 -9.664 11.742 -3.080
30 HG2 ARG 4 2HG ARG 4 -7.375 10.431 -3.346
31 HG3 ARG 4 1HG ARG 4 -8.269 9.182 -2.481
32 HD2 ARG 4 2HD ARG 4 -9.746 10.492 -4.653
33 HD3 ARG 4 1HD ARG 4 -8.329 9.583 -5.169
34 HE ARG 4 HE ARG 4 -9.386 7.622 -4.567
35 HH11 ARG 4 1HH1 ARG 4 -11.237 10.350 -3.412
36 HH12 ARG 4 2HH1 ARG 4 -12.625 9.395 -3.014
37 HH21 ARG 4 1HH2 ARG 4 -11.213 6.371 -4.046
38 HH22 ARG 4 2HH2 ARG 4 -12.613 7.139 -3.374
39 H GLY 5 H GLY 5 -6.153 11.800 -2.836
40 HA2 GLY 5 2HA GLY 5 -3.980 11.140 -2.233
41 HA3 GLY 5 1HA GLY 5 -4.580 10.702 -0.635
42 H LYS 6 H LYS 6 -5.783 9.773 -3.831
43 HA LYS 6 HA LYS 6 -6.186 7.097 -3.108
44 HB2 LYS 6 2HB LYS 6 -6.304 6.685 -5.573
45 HB3 LYS 6 1HB LYS 6 -7.443 7.835 -4.894
46 HG2 LYS 6 2HG LYS 6 -6.627 9.547 -6.101
47 HG3 LYS 6 1HG LYS 6 -4.955 9.033 -5.871
48 HD2 LYS 6 2HD LYS 6 -5.545 8.903 -8.218
49 HD3 LYS 6 1HD LYS 6 -5.287 7.280 -7.572
50 HE2 LYS 6 2HE LYS 6 -7.228 7.022 -8.804
51 HE3 LYS 6 1HE LYS 6 -7.847 7.299 -7.176
52 HZ1 LYS 6 3HZ LYS 6 -7.797 9.163 -9.467
53 HZ2 LYS 6 1HZ LYS 6 -7.956 9.732 -7.881
54 HZ3 LYS 6 2HZ LYS 6 -9.116 8.682 -8.523
55 H LYS 7 H LYS 7 -3.345 8.732 -3.804
56 HA LYS 7 HA LYS 7 -1.767 6.841 -5.080
57 HB2 LYS 7 2HB LYS 7 -0.015 8.154 -4.442
58 HB3 LYS 7 1HB LYS 7 -1.314 9.268 -4.055
59 HG2 LYS 7 2HG LYS 7 -0.139 7.402 -2.023
60 HG3 LYS 7 1HG LYS 7 0.515 9.007 -2.341
61 HD2 LYS 7 2HD LYS 7 -2.341 8.467 -1.566
62 HD3 LYS 7 1HD LYS 7 -1.075 8.919 -0.427
63 HE2 LYS 7 2HE LYS 7 -2.115 10.542 -2.742
64 HE3 LYS 7 1HE LYS 7 -2.317 10.885 -1.025
65 HZ1 LYS 7 3HZ LYS 7 -0.544 12.196 -1.378
66 HZ2 LYS 7 1HZ LYS 7 -0.032 11.349 -2.751
67 HZ3 LYS 7 2HZ LYS 7 0.338 10.762 -1.208
68 H TRP 8 H TRP 8 -3.274 6.901 -2.111
69 HA TRP 8 HA TRP 8 -1.743 4.894 -0.739
70 HB2 TRP 8 2HB TRP 8 -3.166 5.161 1.056
71 HB3 TRP 8 1HB TRP 8 -3.382 6.720 0.268
72 HD1 TRP 8 HD TRP 8 -5.528 6.551 -1.642
73 HE1 TRP 8 1HE TRP 8 -7.910 5.754 -1.184
74 HE3 TRP 8 3HE TRP 8 -4.572 3.633 2.403
75 HZ2 TRP 8 2HZ TRP 8 -9.223 4.098 0.703
76 HZ3 TRP 8 3HZ TRP 8 -6.437 2.485 3.499
77 HH2 TRP 8 HH TRP 8 -8.707 2.690 2.649
78 H THR 9 H THR 9 -4.702 5.120 -2.545
79 HA THR 9 HA THR 9 -5.739 2.589 -2.249
80 HB THR 9 HB THR 9 -6.267 4.816 -3.872
81 HG1 THR 9 1HG THR 9 -7.546 2.330 -3.494
82 HG21 THR 9 3HG2 THR 9 -6.017 2.341 -5.557
83 HG22 THR 9 1HG2 THR 9 -5.050 3.808 -5.716
84 HG23 THR 9 2HG2 THR 9 -6.784 3.854 -6.041
85 H GLU 10 H GLU 10 -3.073 3.787 -3.979
86 HA GLU 10 HA GLU 10 -2.480 1.760 -5.766
87 HB2 GLU 10 2HB GLU 10 -0.711 3.144 -6.034
88 HB3 GLU 10 1HB GLU 10 -1.308 4.070 -4.676
89 HG2 GLU 10 2HG GLU 10 0.862 3.657 -4.056
90 HG3 GLU 10 1HG GLU 10 -0.004 2.370 -3.230
91 H LYS 11 H LYS 11 -2.019 2.055 -2.341
92 HA LYS 11 HA LYS 11 -0.551 -0.343 -1.968
93 HB2 LYS 11 2HB LYS 11 -2.167 1.204 0.000
94 HB3 LYS 11 1HB LYS 11 -0.859 0.081 0.355
95 HG2 LYS 11 2HG LYS 11 0.760 1.528 -0.479
96 HG3 LYS 11 1HG LYS 11 -0.439 2.522 -1.306
97 HD2 LYS 11 2HD LYS 11 0.657 2.946 1.245
98 HD3 LYS 11 1HD LYS 11 -0.667 3.828 0.485
99 HE2 LYS 11 2HE LYS 11 -2.295 2.379 1.463
100 HE3 LYS 11 1HE LYS 11 -1.049 1.265 2.027
101 HZ1 LYS 11 3HZ LYS 11 -1.785 3.913 3.089
102 HZ2 LYS 11 1HZ LYS 11 -0.216 3.326 3.325
103 HZ3 LYS 11 2HZ LYS 11 -1.541 2.460 3.918
104 H LEU 12 H LEU 12 -3.878 0.552 -2.026
105 HA LEU 12 HA LEU 12 -4.601 -2.049 -0.976
106 HB2 LEU 12 2HB LEU 12 -6.931 -0.734 -1.704
107 HB3 LEU 12 1HB LEU 12 -6.342 -1.188 -0.136
108 HG LEU 12 HG LEU 12 -6.536 1.438 -1.361
109 HD11 LEU 12 1HD1 LEU 12 -7.157 -0.005 0.978
110 HD12 LEU 12 2HD1 LEU 12 -7.639 1.622 0.513
111 HD13 LEU 12 3HD1 LEU 12 -6.150 1.367 1.416
112 HD21 LEU 12 3HD2 LEU 12 -4.572 2.101 0.270
113 HD22 LEU 12 1HD2 LEU 12 -4.252 1.658 -1.398
114 HD23 LEU 12 2HD2 LEU 12 -4.000 0.490 -0.119
115 H ALA 13 H ALA 13 -4.390 -0.152 -3.754
116 HA ALA 13 HA ALA 13 -5.888 -1.834 -5.488
117 HB1 ALA 13 1HB ALA 13 -3.531 -0.002 -5.993
118 HB2 ALA 13 2HB ALA 13 -5.230 0.330 -6.332
119 HB3 ALA 13 3HB ALA 13 -4.364 -0.887 -7.271
120 H ARG 14 H ARG 14 -3.093 -2.049 -3.545
121 HA ARG 14 HA ARG 14 -2.212 -4.468 -5.024
122 HB2 ARG 14 2HB ARG 14 -0.043 -4.122 -3.978
123 HB3 ARG 14 1HB ARG 14 -0.530 -2.673 -4.858
124 HG2 ARG 14 2HG ARG 14 -0.393 -1.468 -3.010
125 HG3 ARG 14 1HG ARG 14 -1.548 -2.527 -2.223
126 HD2 ARG 14 2HD ARG 14 0.623 -2.291 -1.058
127 HD3 ARG 14 1HD ARG 14 0.112 -3.940 -1.417
128 HE ARG 14 HE ARG 14 2.065 -4.173 -2.561
129 HH11 ARG 14 1HH1 ARG 14 1.200 -0.782 -2.677
130 HH12 ARG 14 2HH1 ARG 14 2.560 -0.346 -3.652
131 HH21 ARG 14 1HH2 ARG 14 3.854 -3.586 -3.830
132 HH22 ARG 14 2HH2 ARG 14 4.067 -1.932 -4.299
133 H PHE 15 H PHE 15 -3.687 -3.299 -2.117
134 HA PHE 15 HA PHE 15 -3.092 -5.911 -0.910
135 HB2 PHE 15 2HB PHE 15 -3.093 -4.961 1.288
136 HB3 PHE 15 1HB PHE 15 -1.949 -4.108 0.275
137 HD1 PHE 15 2HD PHE 15 -5.598 -3.696 1.038
138 HD2 PHE 15 1HD PHE 15 -1.718 -1.992 0.813
139 HE1 PHE 15 2HE PHE 15 -6.474 -1.591 1.813
140 HE2 PHE 15 1HE PHE 15 -2.575 0.108 1.594
141 HZ PHE 15 HZ PHE 15 -4.973 0.346 2.145
142 H GLN 16 H GLN 16 -5.522 -3.446 -1.358
143 HA GLN 16 HA GLN 16 -7.620 -4.874 -0.066
144 HB2 GLN 16 2HB GLN 16 -7.395 -2.581 -1.947
145 HB3 GLN 16 1HB GLN 16 -8.969 -3.342 -1.744
146 HG2 GLN 16 2HG GLN 16 -7.424 -2.635 0.666
147 HG3 GLN 16 1HG GLN 16 -8.181 -1.334 -0.252
148 HE21 GLN 16 1HE2 GLN 16 -8.767 -4.281 1.544
149 HE22 GLN 16 2HE2 GLN 16 -10.432 -3.972 1.888
150 H ARG 17 H ARG 17 -5.868 -6.117 -2.232
151 HA ARG 17 HA ARG 17 -7.436 -6.757 -4.457
152 HB2 ARG 17 2HB ARG 17 -5.602 -8.862 -4.036
153 HB3 ARG 17 1HB ARG 17 -5.461 -7.519 -5.156
154 HG2 ARG 17 2HG ARG 17 -4.240 -6.215 -3.530
155 HG3 ARG 17 1HG ARG 17 -4.509 -7.437 -2.284
156 HD2 ARG 17 2HD ARG 17 -3.378 -8.830 -4.409
157 HD3 ARG 17 1HD ARG 17 -2.488 -7.309 -4.345
158 HE ARG 17 HE ARG 17 -2.540 -8.128 -1.760
159 HH11 ARG 17 1HH1 ARG 17 -1.544 -9.635 -4.747
160 HH12 ARG 17 2HH1 ARG 17 -0.334 -10.618 -3.993
161 HH21 ARG 17 1HH2 ARG 17 -0.949 -9.420 -0.767
162 HH22 ARG 17 2HH2 ARG 17 0.004 -10.496 -1.732
163 H SER 18 H SER 18 -6.426 -8.889 -1.839
164 HA SER 18 HA SER 18 -8.922 -10.409 -2.217
165 HB2 SER 18 2HB SER 18 -6.470 -11.477 -0.858
166 HB3 SER 18 1HB SER 18 -7.822 -12.370 -1.552
167 HG SER 18 HG SER 18 -7.075 -11.382 -3.618
168 H SER 19 H SER 19 -7.570 -8.209 -0.177
169 HA SER 19 HA SER 19 -7.972 -9.190 2.390
170 HB2 SER 19 2HB SER 19 -7.719 -6.564 1.131
171 HB3 SER 19 1HB SER 19 -8.720 -6.539 2.582
172 HG SER 19 HG SER 19 -6.899 -7.776 3.551
173 H ALA 20 H ALA 20 -10.267 -8.783 -0.026
174 HA ALA 20 HA ALA 20 -12.519 -7.892 1.376
175 HB1 ALA 20 1HB ALA 20 -13.655 -8.289 -0.530
176 HB2 ALA 20 2HB ALA 20 -12.985 -9.910 -0.714
177 HB3 ALA 20 3HB ALA 20 -12.037 -8.503 -1.199
178 H LYS 21 H LYS 21 -11.133 -11.077 1.039
179 HA LYS 21 HA LYS 21 -12.957 -12.039 3.114
180 HB2 LYS 21 2HB LYS 21 -11.884 -13.762 0.903
181 HB3 LYS 21 1HB LYS 21 -13.107 -14.173 2.096
182 HG2 LYS 21 2HG LYS 21 -14.608 -13.654 0.539
183 HG3 LYS 21 1HG LYS 21 -14.175 -11.970 0.836
184 HD2 LYS 21 2HD LYS 21 -13.703 -11.932 -1.361
185 HD3 LYS 21 1HD LYS 21 -12.208 -12.736 -0.881
186 HE2 LYS 21 2HE LYS 21 -13.031 -14.855 -1.470
187 HE3 LYS 21 1HE LYS 21 -14.698 -14.283 -1.529
188 HZ1 LYS 21 3HZ LYS 21 -13.629 -12.747 -3.391
189 HZ2 LYS 21 1HZ LYS 21 -14.260 -14.280 -3.729
190 HZ3 LYS 21 2HZ LYS 21 -12.592 -14.077 -3.531
191 H LYS 22 H LYS 22 -11.068 -11.148 4.196
192 HA LYS 22 HA LYS 22 -9.013 -13.217 4.594
193 HB2 LYS 22 2HB LYS 22 -8.321 -10.936 3.535
194 HB3 LYS 22 1HB LYS 22 -8.471 -10.326 5.177
195 HG2 LYS 22 2HG LYS 22 -6.942 -12.728 5.233
196 HG3 LYS 22 1HG LYS 22 -6.285 -11.659 3.992
197 HD2 LYS 22 2HD LYS 22 -6.510 -9.836 5.846
198 HD3 LYS 22 1HD LYS 22 -6.534 -11.222 6.939
199 HE2 LYS 22 2HE LYS 22 -4.273 -10.465 6.750
200 HE3 LYS 22 1HE LYS 22 -4.412 -11.999 5.893
201 HZ1 LYS 22 3HZ LYS 22 -3.761 -9.385 4.881
202 HZ2 LYS 22 1HZ LYS 22 -4.934 -10.186 3.960
203 HZ3 LYS 22 2HZ LYS 22 -3.429 -10.909 4.229
204 H LYS 23 H LYS 23 -11.677 -12.389 5.945
205 HA LYS 23 HA LYS 23 -10.626 -12.583 8.669
206 HB2 LYS 23 2HB LYS 23 -12.467 -11.027 9.412
207 HB3 LYS 23 1HB LYS 23 -11.164 -10.267 8.508
208 HG2 LYS 23 2HG LYS 23 -13.091 -11.048 6.616
209 HG3 LYS 23 1HG LYS 23 -13.970 -10.308 7.956
210 HD2 LYS 23 2HD LYS 23 -11.566 -8.833 7.214
211 HD3 LYS 23 1HD LYS 23 -12.729 -8.967 5.893
212 HE2 LYS 23 2HE LYS 23 -14.098 -8.350 8.336
213 HE3 LYS 23 1HE LYS 23 -12.789 -7.197 8.080
214 HZ1 LYS 23 3HZ LYS 23 -15.132 -7.741 6.377
215 HZ2 LYS 23 1HZ LYS 23 -13.734 -7.060 5.711
216 HZ3 LYS 23 2HZ LYS 23 -14.556 -6.259 6.954
217 H ARG 24 H ARG 24 -11.323 -14.795 7.561
218 HA ARG 24 HA ARG 24 -14.072 -15.455 7.520
219 HB2 ARG 24 2HB ARG 24 -11.681 -16.738 6.871
220 HB3 ARG 24 1HB ARG 24 -12.352 -17.706 8.175
221 HG2 ARG 24 2HG ARG 24 -14.543 -17.331 6.616
222 HG3 ARG 24 1HG ARG 24 -13.256 -17.375 5.409
223 HD2 ARG 24 2HD ARG 24 -13.486 -19.601 5.533
224 HD3 ARG 24 1HD ARG 24 -12.574 -19.458 7.035
225 HE ARG 24 HE ARG 24 -15.128 -19.087 7.835
226 HH11 ARG 24 1HH1 ARG 24 -13.574 -21.557 5.919
227 HH12 ARG 24 2HH1 ARG 24 -14.662 -22.807 6.423
228 HH21 ARG 24 1HH2 ARG 24 -16.558 -20.731 8.499
229 HH22 ARG 24 2HH2 ARG 24 -16.356 -22.339 7.887
Start of MODEL 6
1 H2 PRO 1 1HT PRO 1 -2.288 15.171 -3.143
2 H3 PRO 1 2HT PRO 1 -0.842 15.926 -3.355
3 HA PRO 1 HA PRO 1 -0.587 15.311 -5.332
4 HB2 PRO 1 2HB PRO 1 -1.926 12.817 -5.631
5 HB3 PRO 1 1HB PRO 1 -0.185 13.122 -5.627
6 HG2 PRO 1 2HG PRO 1 -1.956 12.256 -3.413
7 HG3 PRO 1 1HG PRO 1 -0.237 11.918 -3.680
8 HD2 PRO 1 2HD PRO 1 -1.011 13.636 -1.790
9 HD3 PRO 1 1HD PRO 1 0.434 13.956 -2.769
10 H LEU 2 H LEU 2 -3.685 14.089 -4.042
11 HA LEU 2 HA LEU 2 -5.050 15.645 -6.129
12 HB2 LEU 2 2HB LEU 2 -6.430 13.293 -4.940
13 HB3 LEU 2 1HB LEU 2 -6.498 13.923 -6.572
14 HG LEU 2 HG LEU 2 -4.033 12.996 -6.680
15 HD11 LEU 2 1HD1 LEU 2 -5.274 11.598 -4.342
16 HD12 LEU 2 2HD1 LEU 2 -3.640 12.237 -4.521
17 HD13 LEU 2 3HD1 LEU 2 -4.109 10.766 -5.370
18 HD21 LEU 2 3HD2 LEU 2 -4.929 10.919 -7.581
19 HD22 LEU 2 1HD2 LEU 2 -5.913 12.294 -8.081
20 HD23 LEU 2 2HD2 LEU 2 -6.475 11.231 -6.792
21 H SER 3 H SER 3 -7.268 14.208 -4.046
22 HA SER 3 HA SER 3 -7.212 16.423 -2.143
23 HB2 SER 3 2HB SER 3 -9.589 15.529 -3.791
24 HB3 SER 3 1HB SER 3 -9.734 16.529 -2.346
25 HG SER 3 HG SER 3 -9.631 17.716 -4.356
26 H ARG 4 H ARG 4 -7.608 13.151 -2.917
27 HA ARG 4 HA ARG 4 -8.669 12.514 -0.254
28 HB2 ARG 4 2HB ARG 4 -9.679 10.640 -1.183
29 HB3 ARG 4 1HB ARG 4 -9.846 11.837 -2.457
30 HG2 ARG 4 2HG ARG 4 -7.516 10.734 -3.192
31 HG3 ARG 4 1HG ARG 4 -8.257 9.345 -2.399
32 HD2 ARG 4 2HD ARG 4 -9.868 10.957 -4.321
33 HD3 ARG 4 1HD ARG 4 -8.652 9.848 -4.951
34 HE ARG 4 HE ARG 4 -9.901 8.044 -4.160
35 HH11 ARG 4 1HH1 ARG 4 -11.405 11.078 -3.289
36 HH12 ARG 4 2HH1 ARG 4 -12.913 10.346 -2.865
37 HH21 ARG 4 1HH2 ARG 4 -11.886 7.090 -3.599
38 HH22 ARG 4 2HH2 ARG 4 -13.187 8.086 -3.040
39 H GLY 5 H GLY 5 -6.222 11.887 -2.615
40 HA2 GLY 5 2HA GLY 5 -4.004 11.231 -2.198
41 HA3 GLY 5 1HA GLY 5 -4.485 10.730 -0.579
42 H LYS 6 H LYS 6 -6.051 9.895 -3.635
43 HA LYS 6 HA LYS 6 -6.344 7.191 -3.003
44 HB2 LYS 6 2HB LYS 6 -6.690 6.852 -5.446
45 HB3 LYS 6 1HB LYS 6 -7.744 8.014 -4.653
46 HG2 LYS 6 2HG LYS 6 -7.215 9.459 -6.256
47 HG3 LYS 6 1HG LYS 6 -5.593 9.522 -5.566
48 HD2 LYS 6 2HD LYS 6 -5.184 8.977 -7.786
49 HD3 LYS 6 1HD LYS 6 -5.163 7.404 -6.989
50 HE2 LYS 6 2HE LYS 6 -7.829 7.809 -7.657
51 HE3 LYS 6 1HE LYS 6 -6.932 8.414 -9.048
52 HZ1 LYS 6 3HZ LYS 6 -6.307 5.784 -7.860
53 HZ2 LYS 6 1HZ LYS 6 -5.962 6.353 -9.416
54 HZ3 LYS 6 2HZ LYS 6 -7.550 5.954 -8.995
55 H LYS 7 H LYS 7 -3.571 8.847 -3.904
56 HA LYS 7 HA LYS 7 -2.104 6.978 -5.337
57 HB2 LYS 7 2HB LYS 7 -0.140 7.888 -3.969
58 HB3 LYS 7 1HB LYS 7 -1.054 9.050 -4.918
59 HG2 LYS 7 2HG LYS 7 -0.892 10.203 -2.971
60 HG3 LYS 7 1HG LYS 7 -2.379 9.313 -2.646
61 HD2 LYS 7 2HD LYS 7 -0.801 7.519 -1.650
62 HD3 LYS 7 1HD LYS 7 0.382 8.828 -1.599
63 HE2 LYS 7 2HE LYS 7 -2.291 9.461 -0.531
64 HE3 LYS 7 1HE LYS 7 -1.355 8.286 0.392
65 HZ1 LYS 7 3HZ LYS 7 -0.906 11.128 0.013
66 HZ2 LYS 7 1HZ LYS 7 0.483 10.162 -0.042
67 HZ3 LYS 7 2HZ LYS 7 -0.514 10.135 1.325
68 H TRP 8 H TRP 8 -3.361 6.995 -2.234
69 HA TRP 8 HA TRP 8 -1.740 4.962 -1.024
70 HB2 TRP 8 2HB TRP 8 -3.021 5.208 0.878
71 HB3 TRP 8 1HB TRP 8 -3.292 6.777 0.130
72 HD1 TRP 8 HD TRP 8 -5.576 6.671 -1.591
73 HE1 TRP 8 1HE TRP 8 -7.921 5.870 -0.980
74 HE3 TRP 8 3HE TRP 8 -4.339 3.592 2.257
75 HZ2 TRP 8 2HZ TRP 8 -9.100 4.146 0.928
76 HZ3 TRP 8 3HZ TRP 8 -6.126 2.408 3.440
77 HH2 TRP 8 HH TRP 8 -8.454 2.659 2.772
78 H THR 9 H THR 9 -4.822 5.201 -2.611
79 HA THR 9 HA THR 9 -5.856 2.711 -2.162
80 HB THR 9 HB THR 9 -6.446 4.869 -3.861
81 HG1 THR 9 1HG THR 9 -8.206 4.134 -2.989
82 HG21 THR 9 3HG2 THR 9 -5.408 3.683 -5.713
83 HG22 THR 9 1HG2 THR 9 -7.157 3.802 -5.916
84 HG23 THR 9 2HG2 THR 9 -6.431 2.284 -5.387
85 H GLU 10 H GLU 10 -3.296 3.762 -4.127
86 HA GLU 10 HA GLU 10 -2.881 1.661 -5.852
87 HB2 GLU 10 2HB GLU 10 -1.511 3.628 -5.945
88 HB3 GLU 10 1HB GLU 10 -1.063 3.449 -4.251
89 HG2 GLU 10 2HG GLU 10 -0.330 1.066 -5.491
90 HG3 GLU 10 1HG GLU 10 0.188 2.362 -6.560
91 H LYS 11 H LYS 11 -2.016 2.150 -2.518
92 HA LYS 11 HA LYS 11 -0.595 -0.224 -2.079
93 HB2 LYS 11 2HB LYS 11 -2.178 1.426 -0.163
94 HB3 LYS 11 1HB LYS 11 -0.940 0.252 0.261
95 HG2 LYS 11 2HG LYS 11 0.767 1.558 -0.615
96 HG3 LYS 11 1HG LYS 11 -0.360 2.566 -1.524
97 HD2 LYS 11 2HD LYS 11 0.729 3.099 1.004
98 HD3 LYS 11 1HD LYS 11 -0.551 3.990 0.183
99 HE2 LYS 11 2HE LYS 11 -2.248 2.712 1.252
100 HE3 LYS 11 1HE LYS 11 -1.074 1.545 1.864
101 HZ1 LYS 11 3HZ LYS 11 -0.663 4.308 2.675
102 HZ2 LYS 11 1HZ LYS 11 -0.503 2.882 3.571
103 HZ3 LYS 11 2HZ LYS 11 -2.035 3.554 3.316
104 H LEU 12 H LEU 12 -3.903 0.530 -2.265
105 HA LEU 12 HA LEU 12 -4.587 -2.010 -1.009
106 HB2 LEU 12 2HB LEU 12 -6.919 -0.698 -1.844
107 HB3 LEU 12 1HB LEU 12 -6.394 -1.145 -0.246
108 HG LEU 12 HG LEU 12 -6.462 1.466 -1.539
109 HD11 LEU 12 1HD1 LEU 12 -7.652 1.711 0.276
110 HD12 LEU 12 2HD1 LEU 12 -6.187 1.516 1.228
111 HD13 LEU 12 3HD1 LEU 12 -7.175 0.115 0.847
112 HD21 LEU 12 3HD2 LEU 12 -3.989 0.447 -0.266
113 HD22 LEU 12 1HD2 LEU 12 -4.525 2.046 0.210
114 HD23 LEU 12 2HD2 LEU 12 -4.197 1.693 -1.476
115 H ALA 13 H ALA 13 -4.432 -0.233 -3.881
116 HA ALA 13 HA ALA 13 -5.845 -2.056 -5.537
117 HB1 ALA 13 1HB ALA 13 -5.141 -0.747 -7.252
118 HB2 ALA 13 2HB ALA 13 -3.458 -0.837 -6.735
119 HB3 ALA 13 3HB ALA 13 -4.548 0.333 -5.991
120 H ARG 14 H ARG 14 -3.046 -2.092 -3.588
121 HA ARG 14 HA ARG 14 -2.090 -4.568 -4.932
122 HB2 ARG 14 2HB ARG 14 0.063 -4.090 -3.840
123 HB3 ARG 14 1HB ARG 14 -0.438 -2.754 -4.879
124 HG2 ARG 14 2HG ARG 14 -0.494 -1.347 -3.165
125 HG3 ARG 14 1HG ARG 14 -1.512 -2.443 -2.245
126 HD2 ARG 14 2HD ARG 14 0.635 -1.861 -1.164
127 HD3 ARG 14 1HD ARG 14 0.319 -3.584 -1.358
128 HE ARG 14 HE ARG 14 2.218 -3.718 -2.612
129 HH11 ARG 14 1HH1 ARG 14 1.126 -0.393 -2.713
130 HH12 ARG 14 2HH1 ARG 14 2.463 0.144 -3.673
131 HH21 ARG 14 1HH2 ARG 14 3.975 -3.001 -3.861
132 HH22 ARG 14 2HH2 ARG 14 4.081 -1.333 -4.316
133 H PHE 15 H PHE 15 -3.496 -3.203 -2.081
134 HA PHE 15 HA PHE 15 -2.913 -5.716 -0.667
135 HB2 PHE 15 2HB PHE 15 -2.818 -4.607 1.419
136 HB3 PHE 15 1HB PHE 15 -1.808 -3.713 0.304
137 HD1 PHE 15 2HD PHE 15 -5.479 -3.531 1.047
138 HD2 PHE 15 1HD PHE 15 -1.706 -1.591 0.915
139 HE1 PHE 15 2HE PHE 15 -6.513 -1.485 1.753
140 HE2 PHE 15 1HE PHE 15 -2.721 0.458 1.636
141 HZ PHE 15 HZ PHE 15 -5.143 0.548 2.115
142 H GLN 16 H GLN 16 -5.381 -3.398 -1.423
143 HA GLN 16 HA GLN 16 -7.498 -4.248 0.109
144 HB2 GLN 16 2HB GLN 16 -8.785 -3.047 -1.348
145 HB3 GLN 16 1HB GLN 16 -7.209 -2.478 -1.850
146 HG2 GLN 16 2HG GLN 16 -8.044 -2.953 -3.885
147 HG3 GLN 16 1HG GLN 16 -7.390 -4.542 -3.493
148 HE21 GLN 16 1HE2 GLN 16 -10.293 -2.602 -3.679
149 HE22 GLN 16 2HE2 GLN 16 -11.407 -3.923 -3.731
150 H ARG 17 H ARG 17 -5.751 -5.969 -2.219
151 HA ARG 17 HA ARG 17 -7.383 -7.747 -3.436
152 HB2 ARG 17 2HB ARG 17 -5.326 -9.364 -2.917
153 HB3 ARG 17 1HB ARG 17 -5.228 -8.052 -4.083
154 HG2 ARG 17 2HG ARG 17 -3.773 -6.863 -2.821
155 HG3 ARG 17 1HG ARG 17 -4.555 -7.321 -1.310
156 HD2 ARG 17 2HD ARG 17 -2.726 -8.567 -1.000
157 HD3 ARG 17 1HD ARG 17 -3.533 -9.697 -2.086
158 HE ARG 17 HE ARG 17 -2.159 -8.090 -3.774
159 HH11 ARG 17 1HH1 ARG 17 -1.244 -9.923 -0.949
160 HH12 ARG 17 2HH1 ARG 17 0.376 -10.194 -1.495
161 HH21 ARG 17 1HH2 ARG 17 -0.029 -8.446 -4.495
162 HH22 ARG 17 2HH2 ARG 17 1.067 -9.357 -3.509
163 H SER 18 H SER 18 -6.916 -7.489 -0.069
164 HA SER 18 HA SER 18 -7.116 -9.973 0.990
165 HB2 SER 18 2HB SER 18 -8.768 -7.604 1.852
166 HB3 SER 18 1HB SER 18 -8.398 -9.019 2.837
167 HG SER 18 HG SER 18 -6.912 -7.494 3.392
168 H SER 19 H SER 19 -9.493 -8.372 -0.911
169 HA SER 19 HA SER 19 -11.818 -9.747 -0.201
170 HB2 SER 19 2HB SER 19 -10.948 -8.016 -2.316
171 HB3 SER 19 1HB SER 19 -11.866 -9.353 -3.006
172 HG SER 19 HG SER 19 -12.719 -7.645 -0.903
173 H ALA 20 H ALA 20 -8.983 -11.005 -1.366
174 HA ALA 20 HA ALA 20 -9.454 -12.870 -3.269
175 HB1 ALA 20 1HB ALA 20 -7.880 -14.354 -1.761
176 HB2 ALA 20 2HB ALA 20 -7.731 -12.847 -0.856
177 HB3 ALA 20 3HB ALA 20 -7.287 -12.898 -2.562
178 H LYS 21 H LYS 21 -10.613 -12.924 -0.024
179 HA LYS 21 HA LYS 21 -12.083 -15.391 -0.597
180 HB2 LYS 21 2HB LYS 21 -11.237 -14.622 2.170
181 HB3 LYS 21 1HB LYS 21 -11.812 -16.178 1.588
182 HG2 LYS 21 2HG LYS 21 -9.748 -16.551 0.404
183 HG3 LYS 21 1HG LYS 21 -9.177 -14.936 0.827
184 HD2 LYS 21 2HD LYS 21 -9.794 -17.146 2.786
185 HD3 LYS 21 1HD LYS 21 -8.180 -16.672 2.253
186 HE2 LYS 21 2HE LYS 21 -9.385 -14.304 3.097
187 HE3 LYS 21 1HE LYS 21 -9.866 -15.509 4.292
188 HZ1 LYS 21 3HZ LYS 21 -7.051 -15.222 3.437
189 HZ2 LYS 21 1HZ LYS 21 -7.660 -15.954 4.836
190 HZ3 LYS 21 2HZ LYS 21 -7.697 -14.270 4.677
191 H LYS 22 H LYS 22 -13.406 -13.613 -1.357
192 HA LYS 22 HA LYS 22 -15.076 -12.431 0.756
193 HB2 LYS 22 2HB LYS 22 -13.939 -10.904 -0.924
194 HB3 LYS 22 1HB LYS 22 -15.005 -11.590 -2.140
195 HG2 LYS 22 2HG LYS 22 -16.786 -10.876 -0.216
196 HG3 LYS 22 1HG LYS 22 -15.553 -9.625 -0.040
197 HD2 LYS 22 2HD LYS 22 -17.200 -8.859 -1.611
198 HD3 LYS 22 1HD LYS 22 -15.711 -9.211 -2.489
199 HE2 LYS 22 2HE LYS 22 -16.899 -11.590 -2.711
200 HE3 LYS 22 1HE LYS 22 -18.337 -10.584 -2.559
201 HZ1 LYS 22 3HZ LYS 22 -17.182 -11.062 -4.874
202 HZ2 LYS 22 1HZ LYS 22 -16.288 -9.695 -4.435
203 HZ3 LYS 22 2HZ LYS 22 -17.973 -9.603 -4.550
204 H LYS 23 H LYS 23 -15.148 -15.183 -0.618
205 HA LYS 23 HA LYS 23 -18.032 -15.145 -1.111
206 HB2 LYS 23 2HB LYS 23 -17.792 -16.682 -2.996
207 HB3 LYS 23 1HB LYS 23 -16.944 -15.175 -3.311
208 HG2 LYS 23 2HG LYS 23 -15.318 -17.294 -2.085
209 HG3 LYS 23 1HG LYS 23 -15.898 -17.628 -3.719
210 HD2 LYS 23 2HD LYS 23 -15.035 -15.263 -4.272
211 HD3 LYS 23 1HD LYS 23 -14.136 -15.397 -2.761
212 HE2 LYS 23 2HE LYS 23 -13.963 -17.263 -5.125
213 HE3 LYS 23 1HE LYS 23 -12.752 -16.079 -4.637
214 HZ1 LYS 23 3HZ LYS 23 -13.626 -18.319 -2.902
215 HZ2 LYS 23 1HZ LYS 23 -12.300 -17.292 -2.671
216 HZ3 LYS 23 2HZ LYS 23 -12.292 -18.413 -3.938
217 H ARG 24 H ARG 24 -17.299 -15.783 1.262
218 HA ARG 24 HA ARG 24 -17.406 -17.376 2.885
219 HB2 ARG 24 2HB ARG 24 -18.324 -19.150 0.614
220 HB3 ARG 24 1HB ARG 24 -18.445 -19.543 2.324
221 HG2 ARG 24 2HG ARG 24 -19.728 -17.184 2.308
222 HG3 ARG 24 1HG ARG 24 -20.086 -17.741 0.672
223 HD2 ARG 24 2HD ARG 24 -20.803 -19.930 1.713
224 HD3 ARG 24 1HD ARG 24 -20.701 -19.120 3.275
225 HE ARG 24 HE ARG 24 -22.297 -17.499 1.767
226 HH11 ARG 24 1HH1 ARG 24 -22.376 -20.866 2.680
227 HH12 ARG 24 2HH1 ARG 24 -24.104 -20.964 2.648
228 HH21 ARG 24 1HH2 ARG 24 -24.571 -17.625 1.725
229 HH22 ARG 24 2HH2 ARG 24 -25.351 -19.124 2.105
Start of MODEL 7
1 H2 PRO 1 1HT PRO 1 -0.096 15.269 -5.723
2 H3 PRO 1 2HT PRO 1 0.828 13.939 -5.446
3 HA PRO 1 HA PRO 1 -0.836 12.811 -5.068
4 HB2 PRO 1 2HB PRO 1 -2.279 13.797 -2.980
5 HB3 PRO 1 1HB PRO 1 -0.754 12.923 -2.784
6 HG2 PRO 1 2HG PRO 1 -1.248 15.872 -2.862
7 HG3 PRO 1 1HG PRO 1 -0.241 14.939 -1.739
8 HD2 PRO 1 2HD PRO 1 0.846 16.280 -3.794
9 HD3 PRO 1 1HD PRO 1 1.487 14.710 -3.278
10 H LEU 2 H LEU 2 -3.475 13.526 -4.134
11 HA LEU 2 HA LEU 2 -4.393 15.219 -6.356
12 HB2 LEU 2 2HB LEU 2 -6.190 13.107 -5.266
13 HB3 LEU 2 1HB LEU 2 -6.053 13.724 -6.900
14 HG LEU 2 HG LEU 2 -3.782 12.471 -6.921
15 HD11 LEU 2 1HD1 LEU 2 -5.037 11.554 -4.406
16 HD12 LEU 2 2HD1 LEU 2 -3.334 11.667 -4.852
17 HD13 LEU 2 3HD1 LEU 2 -4.307 10.313 -5.425
18 HD21 LEU 2 3HD2 LEU 2 -5.498 11.774 -8.369
19 HD22 LEU 2 1HD2 LEU 2 -6.505 11.209 -7.037
20 HD23 LEU 2 2HD2 LEU 2 -5.040 10.329 -7.470
21 H SER 3 H SER 3 -6.968 14.156 -4.443
22 HA SER 3 HA SER 3 -6.762 16.419 -2.603
23 HB2 SER 3 2HB SER 3 -9.202 15.739 -4.271
24 HB3 SER 3 1HB SER 3 -9.135 16.976 -3.016
25 HG SER 3 HG SER 3 -8.408 17.150 -5.591
26 H ARG 4 H ARG 4 -7.372 13.192 -3.235
27 HA ARG 4 HA ARG 4 -8.798 12.789 -0.701
28 HB2 ARG 4 2HB ARG 4 -9.765 10.868 -1.643
29 HB3 ARG 4 1HB ARG 4 -9.814 12.059 -2.933
30 HG2 ARG 4 2HG ARG 4 -7.446 10.869 -3.456
31 HG3 ARG 4 1HG ARG 4 -8.339 9.513 -2.765
32 HD2 ARG 4 2HD ARG 4 -9.386 11.287 -4.966
33 HD3 ARG 4 1HD ARG 4 -8.536 9.770 -5.252
34 HE ARG 4 HE ARG 4 -10.523 9.027 -3.591
35 HH11 ARG 4 1HH1 ARG 4 -10.493 10.864 -6.560
36 HH12 ARG 4 2HH1 ARG 4 -12.084 10.368 -7.029
37 HH21 ARG 4 1HH2 ARG 4 -12.616 8.375 -4.207
38 HH22 ARG 4 2HH2 ARG 4 -13.290 8.955 -5.694
39 H GLY 5 H GLY 5 -6.144 11.871 -2.711
40 HA2 GLY 5 2HA GLY 5 -4.036 11.125 -1.968
41 HA3 GLY 5 1HA GLY 5 -4.769 10.678 -0.429
42 H LYS 6 H LYS 6 -6.001 9.888 -3.635
43 HA LYS 6 HA LYS 6 -6.378 7.175 -2.964
44 HB2 LYS 6 2HB LYS 6 -6.790 6.838 -5.379
45 HB3 LYS 6 1HB LYS 6 -7.787 8.056 -4.598
46 HG2 LYS 6 2HG LYS 6 -6.590 9.825 -5.616
47 HG3 LYS 6 1HG LYS 6 -5.305 8.740 -6.146
48 HD2 LYS 6 2HD LYS 6 -7.962 7.991 -7.115
49 HD3 LYS 6 1HD LYS 6 -7.416 9.570 -7.682
50 HE2 LYS 6 2HE LYS 6 -6.631 8.080 -9.301
51 HE3 LYS 6 1HE LYS 6 -5.226 8.388 -8.281
52 HZ1 LYS 6 3HZ LYS 6 -6.998 6.074 -7.796
53 HZ2 LYS 6 1HZ LYS 6 -5.400 6.307 -7.288
54 HZ3 LYS 6 2HZ LYS 6 -5.732 5.989 -8.916
55 H LYS 7 H LYS 7 -3.615 8.847 -3.879
56 HA LYS 7 HA LYS 7 -2.155 6.997 -5.342
57 HB2 LYS 7 2HB LYS 7 -0.331 8.268 -4.777
58 HB3 LYS 7 1HB LYS 7 -1.603 9.394 -4.336
59 HG2 LYS 7 2HG LYS 7 -0.122 7.574 -2.455
60 HG3 LYS 7 1HG LYS 7 0.124 9.312 -2.637
61 HD2 LYS 7 2HD LYS 7 -2.653 8.710 -2.163
62 HD3 LYS 7 1HD LYS 7 -1.642 8.020 -0.895
63 HE2 LYS 7 2HE LYS 7 -1.880 10.887 -1.753
64 HE3 LYS 7 1HE LYS 7 -2.214 10.186 -0.171
65 HZ1 LYS 7 3HZ LYS 7 -0.170 11.088 0.197
66 HZ2 LYS 7 1HZ LYS 7 0.358 10.868 -1.396
67 HZ3 LYS 7 2HZ LYS 7 0.308 9.554 -0.333
68 H TRP 8 H TRP 8 -3.408 6.995 -2.251
69 HA TRP 8 HA TRP 8 -1.744 4.983 -1.052
70 HB2 TRP 8 2HB TRP 8 -3.008 5.199 0.863
71 HB3 TRP 8 1HB TRP 8 -3.316 6.765 0.124
72 HD1 TRP 8 HD TRP 8 -5.617 6.564 -1.609
73 HE1 TRP 8 1HE TRP 8 -7.940 5.745 -0.940
74 HE3 TRP 8 3HE TRP 8 -4.273 3.660 2.336
75 HZ2 TRP 8 2HZ TRP 8 -9.062 4.071 1.052
76 HZ3 TRP 8 3HZ TRP 8 -6.023 2.487 3.588
77 HH2 TRP 8 HH TRP 8 -8.363 2.669 2.943
78 H THR 9 H THR 9 -4.855 5.173 -2.595
79 HA THR 9 HA THR 9 -5.799 2.615 -2.233
80 HB THR 9 HB THR 9 -6.490 4.843 -3.815
81 HG1 THR 9 1HG THR 9 -7.734 2.358 -3.305
82 HG21 THR 9 3HG2 THR 9 -6.403 2.337 -5.469
83 HG22 THR 9 1HG2 THR 9 -5.452 3.795 -5.744
84 HG23 THR 9 2HG2 THR 9 -7.207 3.845 -5.906
85 H GLU 10 H GLU 10 -3.329 3.896 -4.182
86 HA GLU 10 HA GLU 10 -2.850 1.880 -6.019
87 HB2 GLU 10 2HB GLU 10 -1.098 3.257 -6.457
88 HB3 GLU 10 1HB GLU 10 -1.672 4.247 -5.131
89 HG2 GLU 10 2HG GLU 10 0.555 3.940 -4.620
90 HG3 GLU 10 1HG GLU 10 -0.246 2.725 -3.633
91 H LYS 11 H LYS 11 -2.073 2.188 -2.654
92 HA LYS 11 HA LYS 11 -0.533 -0.197 -2.516
93 HB2 LYS 11 2HB LYS 11 -1.931 1.065 -0.222
94 HB3 LYS 11 1HB LYS 11 -0.419 0.172 -0.214
95 HG2 LYS 11 2HG LYS 11 0.779 1.964 -1.051
96 HG3 LYS 11 1HG LYS 11 -0.668 2.774 -1.649
97 HD2 LYS 11 2HD LYS 11 0.636 3.084 0.873
98 HD3 LYS 11 1HD LYS 11 -0.756 3.956 0.237
99 HE2 LYS 11 2HE LYS 11 -2.268 2.292 1.118
100 HE3 LYS 11 1HE LYS 11 -0.918 1.272 1.617
101 HZ1 LYS 11 3HZ LYS 11 -1.928 2.582 3.443
102 HZ2 LYS 11 1HZ LYS 11 -1.410 4.001 2.682
103 HZ3 LYS 11 2HZ LYS 11 -0.276 2.878 3.243
104 H LEU 12 H LEU 12 -3.826 0.738 -1.993
105 HA LEU 12 HA LEU 12 -4.462 -1.847 -0.938
106 HB2 LEU 12 2HB LEU 12 -6.766 -0.494 -1.843
107 HB3 LEU 12 1HB LEU 12 -6.355 -1.119 -0.273
108 HG LEU 12 HG LEU 12 -6.508 1.589 -1.193
109 HD11 LEU 12 1HD1 LEU 12 -7.446 1.633 0.768
110 HD12 LEU 12 2HD1 LEU 12 -5.926 1.219 1.549
111 HD13 LEU 12 3HD1 LEU 12 -7.013 -0.050 1.005
112 HD21 LEU 12 3HD2 LEU 12 -4.232 1.825 -1.399
113 HD22 LEU 12 1HD2 LEU 12 -3.870 0.622 -0.179
114 HD23 LEU 12 2HD2 LEU 12 -4.455 2.204 0.300
115 H ALA 13 H ALA 13 -4.441 -0.068 -3.823
116 HA ALA 13 HA ALA 13 -5.828 -1.904 -5.479
117 HB1 ALA 13 1HB ALA 13 -5.243 0.226 -6.438
118 HB2 ALA 13 2HB ALA 13 -4.304 -0.996 -7.296
119 HB3 ALA 13 3HB ALA 13 -3.537 -0.008 -6.053
120 H ARG 14 H ARG 14 -3.088 -1.940 -3.511
121 HA ARG 14 HA ARG 14 -1.911 -4.274 -4.877
122 HB2 ARG 14 2HB ARG 14 0.094 -3.684 -3.991
123 HB3 ARG 14 1HB ARG 14 -0.663 -2.108 -3.789
124 HG2 ARG 14 2HG ARG 14 -1.453 -3.079 -1.486
125 HG3 ARG 14 1HG ARG 14 -0.137 -4.217 -1.729
126 HD2 ARG 14 2HD ARG 14 0.171 -1.255 -1.884
127 HD3 ARG 14 1HD ARG 14 0.394 -2.174 -0.409
128 HE ARG 14 HE ARG 14 2.343 -3.129 -1.332
129 HH11 ARG 14 1HH1 ARG 14 0.879 -0.814 -3.532
130 HH12 ARG 14 2HH1 ARG 14 2.322 -0.613 -4.460
131 HH21 ARG 14 1HH2 ARG 14 4.220 -2.862 -2.579
132 HH22 ARG 14 2HH2 ARG 14 4.208 -1.779 -3.931
133 H PHE 15 H PHE 15 -3.670 -3.236 -2.031
134 HA PHE 15 HA PHE 15 -3.389 -5.994 -1.032
135 HB2 PHE 15 2HB PHE 15 -3.412 -5.114 1.222
136 HB3 PHE 15 1HB PHE 15 -2.099 -4.445 0.270
137 HD1 PHE 15 1HD PHE 15 -5.625 -3.617 1.168
138 HD2 PHE 15 2HD PHE 15 -1.665 -2.276 0.445
139 HE1 PHE 15 1HE PHE 15 -6.243 -1.414 1.876
140 HE2 PHE 15 2HE PHE 15 -2.265 -0.076 1.147
141 HZ PHE 15 HZ PHE 15 -4.560 0.407 1.916
142 H GLN 16 H GLN 16 -5.612 -3.311 -1.369
143 HA GLN 16 HA GLN 16 -7.809 -4.003 0.019
144 HB2 GLN 16 2HB GLN 16 -7.344 -2.852 -2.636
145 HB3 GLN 16 1HB GLN 16 -8.945 -3.541 -2.420
146 HG2 GLN 16 2HG GLN 16 -7.947 -1.832 -0.257
147 HG3 GLN 16 1HG GLN 16 -8.297 -1.039 -1.792
148 HE21 GLN 16 1HE2 GLN 16 -10.412 -0.965 -2.545
149 HE22 GLN 16 2HE2 GLN 16 -11.767 -1.313 -1.531
150 H ARG 17 H ARG 17 -6.447 -5.724 -2.635
151 HA ARG 17 HA ARG 17 -8.340 -7.418 -3.559
152 HB2 ARG 17 2HB ARG 17 -6.294 -9.136 -3.428
153 HB3 ARG 17 1HB ARG 17 -6.347 -7.811 -4.583
154 HG2 ARG 17 2HG ARG 17 -4.808 -6.531 -3.382
155 HG3 ARG 17 1HG ARG 17 -5.087 -7.427 -1.890
156 HD2 ARG 17 2HD ARG 17 -2.911 -7.833 -3.204
157 HD3 ARG 17 1HD ARG 17 -3.796 -9.214 -2.562
158 HE ARG 17 HE ARG 17 -4.474 -8.522 -5.277
159 HH11 ARG 17 1HH1 ARG 17 -2.352 -10.385 -3.225
160 HH12 ARG 17 2HH1 ARG 17 -1.978 -11.545 -4.453
161 HH21 ARG 17 1HH2 ARG 17 -3.982 -10.049 -6.894
162 HH22 ARG 17 2HH2 ARG 17 -2.901 -11.354 -6.537
163 H SER 18 H SER 18 -6.847 -7.473 -0.435
164 HA SER 18 HA SER 18 -7.822 -10.086 0.289
165 HB2 SER 18 2HB SER 18 -6.598 -7.883 1.940
166 HB3 SER 18 1HB SER 18 -6.985 -9.494 2.541
167 HG SER 18 HG SER 18 -5.505 -10.346 1.045
168 H SER 19 H SER 19 -9.610 -7.619 -0.370
169 HA SER 19 HA SER 19 -11.064 -6.801 1.814
170 HB2 SER 19 2HB SER 19 -11.281 -6.445 -0.884
171 HB3 SER 19 1HB SER 19 -12.717 -7.411 -0.545
172 HG SER 19 HG SER 19 -13.551 -5.602 0.102
173 H ALA 20 H ALA 20 -10.813 -9.960 0.608
174 HA ALA 20 HA ALA 20 -13.322 -11.046 1.168
175 HB1 ALA 20 1HB ALA 20 -11.784 -13.148 1.675
176 HB2 ALA 20 2HB ALA 20 -10.571 -12.115 0.920
177 HB3 ALA 20 3HB ALA 20 -12.036 -12.544 0.038
178 H LYS 21 H LYS 21 -10.658 -10.262 3.235
179 HA LYS 21 HA LYS 21 -12.273 -10.974 5.567
180 HB2 LYS 21 2HB LYS 21 -9.282 -11.107 5.567
181 HB3 LYS 21 1HB LYS 21 -10.408 -11.762 6.744
182 HG2 LYS 21 2HG LYS 21 -10.824 -13.632 5.521
183 HG3 LYS 21 1HG LYS 21 -10.565 -12.814 3.979
184 HD2 LYS 21 2HD LYS 21 -8.251 -13.189 5.820
185 HD3 LYS 21 1HD LYS 21 -8.832 -14.571 4.888
186 HE2 LYS 21 2HE LYS 21 -8.663 -13.094 2.843
187 HE3 LYS 21 1HE LYS 21 -7.799 -11.938 3.858
188 HZ1 LYS 21 3HZ LYS 21 -6.615 -13.884 2.467
189 HZ2 LYS 21 1HZ LYS 21 -6.807 -14.659 3.959
190 HZ3 LYS 21 2HZ LYS 21 -5.958 -13.197 3.867
191 H LYS 22 H LYS 22 -12.806 -8.761 5.017
192 HA LYS 22 HA LYS 22 -11.037 -6.601 5.448
193 HB2 LYS 22 2HB LYS 22 -13.919 -6.948 5.016
194 HB3 LYS 22 1HB LYS 22 -13.504 -5.543 5.988
195 HG2 LYS 22 2HG LYS 22 -11.881 -5.880 3.569
196 HG3 LYS 22 1HG LYS 22 -13.596 -5.582 3.281
197 HD2 LYS 22 2HD LYS 22 -13.540 -3.513 4.359
198 HD3 LYS 22 1HD LYS 22 -12.042 -3.894 5.211
199 HE2 LYS 22 2HE LYS 22 -12.054 -3.764 2.228
200 HE3 LYS 22 1HE LYS 22 -12.025 -2.269 3.163
201 HZ1 LYS 22 3HZ LYS 22 -9.837 -3.593 2.456
202 HZ2 LYS 22 1HZ LYS 22 -10.118 -4.310 3.963
203 HZ3 LYS 22 2HZ LYS 22 -9.925 -2.634 3.846
204 H LYS 23 H LYS 23 -12.358 -8.778 7.648
205 HA LYS 23 HA LYS 23 -11.668 -6.990 9.858
206 HB2 LYS 23 2HB LYS 23 -14.081 -8.806 9.929
207 HB3 LYS 23 1HB LYS 23 -13.596 -7.626 11.138
208 HG2 LYS 23 2HG LYS 23 -15.045 -6.255 10.157
209 HG3 LYS 23 1HG LYS 23 -13.848 -6.100 8.870
210 HD2 LYS 23 2HD LYS 23 -14.973 -7.534 7.466
211 HD3 LYS 23 1HD LYS 23 -15.764 -8.384 8.796
212 HE2 LYS 23 2HE LYS 23 -16.396 -5.517 8.182
213 HE3 LYS 23 1HE LYS 23 -17.186 -6.832 7.313
214 HZ1 LYS 23 3HZ LYS 23 -18.122 -5.804 9.571
215 HZ2 LYS 23 1HZ LYS 23 -17.170 -7.048 10.210
216 HZ3 LYS 23 2HZ LYS 23 -18.397 -7.405 9.104
217 H ARG 24 H ARG 24 -9.822 -8.599 9.096
218 HA ARG 24 HA ARG 24 -9.847 -10.772 11.068
219 HB2 ARG 24 2HB ARG 24 -9.272 -10.976 8.141
220 HB3 ARG 24 1HB ARG 24 -8.393 -12.014 9.256
221 HG2 ARG 24 2HG ARG 24 -10.745 -12.610 10.166
222 HG3 ARG 24 1HG ARG 24 -11.310 -11.965 8.624
223 HD2 ARG 24 2HD ARG 24 -11.009 -14.353 8.442
224 HD3 ARG 24 1HD ARG 24 -9.805 -13.529 7.453
225 HE ARG 24 HE ARG 24 -8.511 -13.929 9.792
226 HH11 ARG 24 1HH1 ARG 24 -10.275 -16.045 7.651
227 HH12 ARG 24 2HH1 ARG 24 -9.330 -17.441 8.049
228 HH21 ARG 24 1HH2 ARG 24 -7.266 -15.762 10.315
229 HH22 ARG 24 2HH2 ARG 24 -7.621 -17.280 9.561
Start of MODEL 8
1 H2 PRO 1 1HT PRO 1 -1.297 15.891 -3.706
2 H3 PRO 1 2HT PRO 1 0.307 16.060 -4.023
3 HA PRO 1 HA PRO 1 0.269 14.842 -5.690
4 HB2 PRO 1 2HB PRO 1 -1.425 12.658 -5.256
5 HB3 PRO 1 1HB PRO 1 0.332 12.679 -5.061
6 HG2 PRO 1 2HG PRO 1 -1.803 13.030 -3.010
7 HG3 PRO 1 1HG PRO 1 -0.236 12.213 -2.874
8 HD2 PRO 1 2HD PRO 1 -0.601 14.620 -1.795
9 HD3 PRO 1 1HD PRO 1 0.927 14.216 -2.602
10 H LEU 2 H LEU 2 -2.981 14.064 -4.436
11 HA LEU 2 HA LEU 2 -4.105 15.573 -6.697
12 HB2 LEU 2 2HB LEU 2 -5.690 13.338 -5.558
13 HB3 LEU 2 1HB LEU 2 -5.535 13.867 -7.220
14 HG LEU 2 HG LEU 2 -3.092 12.839 -6.893
15 HD11 LEU 2 1HD1 LEU 2 -3.547 10.643 -5.607
16 HD12 LEU 2 2HD1 LEU 2 -4.830 11.563 -4.822
17 HD13 LEU 2 3HD1 LEU 2 -3.158 12.101 -4.693
18 HD21 LEU 2 3HD2 LEU 2 -3.814 11.048 -8.175
19 HD22 LEU 2 1HD2 LEU 2 -5.060 12.258 -8.475
20 HD23 LEU 2 2HD2 LEU 2 -5.363 10.944 -7.339
21 H SER 3 H SER 3 -6.554 14.305 -4.766
22 HA SER 3 HA SER 3 -6.559 16.584 -2.937
23 HB2 SER 3 2HB SER 3 -8.571 15.941 -5.032
24 HB3 SER 3 1HB SER 3 -9.195 16.440 -3.460
25 HG SER 3 HG SER 3 -8.773 18.170 -5.010
26 H ARG 4 H ARG 4 -6.846 13.326 -3.525
27 HA ARG 4 HA ARG 4 -8.269 12.824 -1.006
28 HB2 ARG 4 2HB ARG 4 -9.145 10.852 -1.954
29 HB3 ARG 4 1HB ARG 4 -9.315 12.078 -3.200
30 HG2 ARG 4 2HG ARG 4 -6.863 10.994 -3.781
31 HG3 ARG 4 1HG ARG 4 -7.769 9.592 -3.215
32 HD2 ARG 4 2HD ARG 4 -9.000 11.496 -5.169
33 HD3 ARG 4 1HD ARG 4 -7.848 10.288 -5.730
34 HE ARG 4 HE ARG 4 -9.685 8.914 -4.210
35 HH11 ARG 4 1HH1 ARG 4 -9.774 10.922 -7.063
36 HH12 ARG 4 2HH1 ARG 4 -11.148 10.115 -7.741
37 HH21 ARG 4 1HH2 ARG 4 -11.494 7.851 -5.100
38 HH22 ARG 4 2HH2 ARG 4 -12.125 8.372 -6.627
39 H GLY 5 H GLY 5 -5.651 11.949 -3.098
40 HA2 GLY 5 2HA GLY 5 -3.498 11.301 -2.377
41 HA3 GLY 5 1HA GLY 5 -4.195 10.809 -0.837
42 H LYS 6 H LYS 6 -5.419 9.979 -4.061
43 HA LYS 6 HA LYS 6 -5.797 7.276 -3.478
44 HB2 LYS 6 2HB LYS 6 -5.665 8.816 -5.983
45 HB3 LYS 6 1HB LYS 6 -5.560 7.065 -6.073
46 HG2 LYS 6 2HG LYS 6 -7.742 8.059 -4.402
47 HG3 LYS 6 1HG LYS 6 -7.868 8.485 -6.110
48 HD2 LYS 6 2HD LYS 6 -8.316 6.381 -6.724
49 HD3 LYS 6 1HD LYS 6 -7.088 5.710 -5.652
50 HE2 LYS 6 2HE LYS 6 -8.580 5.258 -4.045
51 HE3 LYS 6 1HE LYS 6 -9.387 6.814 -4.234
52 HZ1 LYS 6 3HZ LYS 6 -10.721 4.753 -4.784
53 HZ2 LYS 6 1HZ LYS 6 -9.766 4.613 -6.174
54 HZ3 LYS 6 2HZ LYS 6 -10.727 5.986 -5.943
55 H LYS 7 H LYS 7 -2.909 8.921 -4.006
56 HA LYS 7 HA LYS 7 -1.268 7.027 -5.246
57 HB2 LYS 7 2HB LYS 7 0.148 8.074 -2.990
58 HB3 LYS 7 1HB LYS 7 0.349 8.477 -4.685
59 HG2 LYS 7 2HG LYS 7 -0.096 10.533 -3.850
60 HG3 LYS 7 1HG LYS 7 -1.740 10.016 -4.203
61 HD2 LYS 7 2HD LYS 7 -1.572 11.028 -1.979
62 HD3 LYS 7 1HD LYS 7 -2.030 9.329 -1.883
63 HE2 LYS 7 2HE LYS 7 -0.284 8.898 -0.592
64 HE3 LYS 7 1HE LYS 7 0.812 9.520 -1.825
65 HZ1 LYS 7 3HZ LYS 7 -0.625 11.351 -0.010
66 HZ2 LYS 7 1HZ LYS 7 0.797 11.625 -0.886
67 HZ3 LYS 7 2HZ LYS 7 0.821 10.615 0.470
68 H TRP 8 H TRP 8 -2.901 7.098 -2.322
69 HA TRP 8 HA TRP 8 -1.490 5.036 -0.895
70 HB2 TRP 8 2HB TRP 8 -3.107 5.225 0.787
71 HB3 TRP 8 1HB TRP 8 -3.119 6.845 0.096
72 HD1 TRP 8 HD TRP 8 -4.967 6.827 -2.136
73 HE1 TRP 8 1HE TRP 8 -7.429 6.239 -2.069
74 HE3 TRP 8 3HE TRP 8 -4.854 3.927 2.010
75 HZ2 TRP 8 2HZ TRP 8 -9.151 4.719 -0.372
76 HZ3 TRP 8 3HZ TRP 8 -6.948 2.948 2.821
77 HH2 TRP 8 HH TRP 8 -9.040 3.313 1.639
78 H THR 9 H THR 9 -4.284 5.331 -2.927
79 HA THR 9 HA THR 9 -5.456 2.862 -2.701
80 HB THR 9 HB THR 9 -5.760 5.073 -4.376
81 HG1 THR 9 1HG THR 9 -7.124 2.613 -4.158
82 HG21 THR 9 3HG2 THR 9 -5.443 2.602 -6.058
83 HG22 THR 9 1HG2 THR 9 -4.360 3.993 -6.073
84 HG23 THR 9 2HG2 THR 9 -6.035 4.175 -6.594
85 H GLU 10 H GLU 10 -2.591 3.897 -4.193
86 HA GLU 10 HA GLU 10 -1.944 1.803 -5.887
87 HB2 GLU 10 2HB GLU 10 -0.098 3.104 -6.007
88 HB3 GLU 10 1HB GLU 10 -0.736 4.054 -4.686
89 HG2 GLU 10 2HG GLU 10 1.358 3.497 -3.926
90 HG3 GLU 10 1HG GLU 10 0.346 2.283 -3.160
91 H LYS 11 H LYS 11 -1.781 2.136 -2.436
92 HA LYS 11 HA LYS 11 -0.503 -0.337 -1.885
93 HB2 LYS 11 2HB LYS 11 -2.223 1.338 -0.117
94 HB3 LYS 11 1HB LYS 11 -1.035 0.141 0.390
95 HG2 LYS 11 2HG LYS 11 0.751 1.466 -0.266
96 HG3 LYS 11 1HG LYS 11 -0.274 2.508 -1.252
97 HD2 LYS 11 2HD LYS 11 0.544 2.953 1.392
98 HD3 LYS 11 1HD LYS 11 -0.644 3.876 0.471
99 HE2 LYS 11 2HE LYS 11 -2.442 2.554 1.308
100 HE3 LYS 11 1HE LYS 11 -1.332 1.377 2.010
101 HZ1 LYS 11 3HZ LYS 11 -0.551 3.624 3.233
102 HZ2 LYS 11 1HZ LYS 11 -1.697 2.556 3.871
103 HZ3 LYS 11 2HZ LYS 11 -2.202 3.943 3.044
104 H LEU 12 H LEU 12 -3.745 0.746 -2.297
105 HA LEU 12 HA LEU 12 -4.734 -1.780 -1.289
106 HB2 LEU 12 2HB LEU 12 -6.872 -0.340 -2.316
107 HB3 LEU 12 1HB LEU 12 -6.513 -0.804 -0.681
108 HG LEU 12 HG LEU 12 -6.374 1.806 -1.952
109 HD11 LEU 12 1HD1 LEU 12 -6.373 1.784 0.847
110 HD12 LEU 12 2HD1 LEU 12 -7.387 0.451 0.307
111 HD13 LEU 12 3HD1 LEU 12 -7.711 2.090 -0.253
112 HD21 LEU 12 3HD2 LEU 12 -4.605 2.352 -0.055
113 HD22 LEU 12 1HD2 LEU 12 -4.108 1.914 -1.679
114 HD23 LEU 12 2HD2 LEU 12 -4.082 0.715 -0.405
115 H ALA 13 H ALA 13 -4.137 0.052 -4.063
116 HA ALA 13 HA ALA 13 -5.529 -1.567 -5.927
117 HB1 ALA 13 1HB ALA 13 -4.592 0.576 -6.640
118 HB2 ALA 13 2HB ALA 13 -3.853 -0.728 -7.570
119 HB3 ALA 13 3HB ALA 13 -2.967 0.019 -6.241
120 H ARG 14 H ARG 14 -2.980 -1.937 -3.697
121 HA ARG 14 HA ARG 14 -2.121 -4.442 -5.043
122 HB2 ARG 14 2HB ARG 14 -0.064 -4.225 -3.744
123 HB3 ARG 14 1HB ARG 14 -0.337 -2.779 -4.719
124 HG2 ARG 14 2HG ARG 14 -0.377 -1.509 -2.909
125 HG3 ARG 14 1HG ARG 14 -1.643 -2.500 -2.211
126 HD2 ARG 14 2HD ARG 14 0.436 -2.283 -0.859
127 HD3 ARG 14 1HD ARG 14 -0.143 -3.918 -1.172
128 HE ARG 14 HE ARG 14 1.884 -4.331 -2.120
129 HH11 ARG 14 1HH1 ARG 14 1.236 -0.912 -2.519
130 HH12 ARG 14 2HH1 ARG 14 2.712 -0.610 -3.368
131 HH21 ARG 14 1HH2 ARG 14 3.825 -3.918 -3.224
132 HH22 ARG 14 2HH2 ARG 14 4.182 -2.311 -3.761
133 H PHE 15 H PHE 15 -3.794 -3.101 -2.314
134 HA PHE 15 HA PHE 15 -3.534 -5.724 -1.011
135 HB2 PHE 15 2HB PHE 15 -3.669 -4.726 1.155
136 HB3 PHE 15 1HB PHE 15 -2.391 -3.953 0.245
137 HD1 PHE 15 2HD PHE 15 -6.068 -3.339 0.629
138 HD2 PHE 15 1HD PHE 15 -2.102 -1.837 0.794
139 HE1 PHE 15 2HE PHE 15 -6.912 -1.181 1.270
140 HE2 PHE 15 1HE PHE 15 -2.926 0.318 1.442
141 HZ PHE 15 HZ PHE 15 -5.356 0.687 1.730
142 H GLN 16 H GLN 16 -5.715 -3.104 -1.762
143 HA GLN 16 HA GLN 16 -8.031 -4.232 -0.620
144 HB2 GLN 16 2HB GLN 16 -7.421 -2.202 -2.691
145 HB3 GLN 16 1HB GLN 16 -9.050 -2.868 -2.675
146 HG2 GLN 16 2HG GLN 16 -7.863 -1.977 -0.125
147 HG3 GLN 16 1HG GLN 16 -8.388 -0.751 -1.277
148 HE21 GLN 16 1HE2 GLN 16 -9.329 -2.780 1.211
149 HE22 GLN 16 2HE2 GLN 16 -11.042 -2.631 1.044
150 H ARG 17 H ARG 17 -6.080 -5.368 -3.031
151 HA ARG 17 HA ARG 17 -7.438 -6.352 -5.108
152 HB2 ARG 17 2HB ARG 17 -5.963 -8.553 -4.447
153 HB3 ARG 17 1HB ARG 17 -5.336 -7.137 -5.277
154 HG2 ARG 17 2HG ARG 17 -4.224 -6.363 -3.420
155 HG3 ARG 17 1HG ARG 17 -5.340 -7.135 -2.295
156 HD2 ARG 17 2HD ARG 17 -3.067 -8.156 -2.368
157 HD3 ARG 17 1HD ARG 17 -4.386 -9.278 -2.694
158 HE ARG 17 HE ARG 17 -3.607 -8.424 -5.161
159 HH11 ARG 17 1HH1 ARG 17 -1.966 -9.895 -2.457
160 HH12 ARG 17 2HH1 ARG 17 -0.794 -10.700 -3.445
161 HH21 ARG 17 1HH2 ARG 17 -2.066 -9.482 -6.464
162 HH22 ARG 17 2HH2 ARG 17 -0.849 -10.465 -5.720
163 H SER 18 H SER 18 -7.820 -7.346 -1.821
164 HA SER 18 HA SER 18 -9.280 -9.752 -2.391
165 HB2 SER 18 2HB SER 18 -9.074 -8.143 0.151
166 HB3 SER 18 1HB SER 18 -9.777 -9.754 0.015
167 HG SER 18 HG SER 18 -7.529 -9.686 0.710
168 H SER 19 H SER 19 -10.155 -6.804 -3.155
169 HA SER 19 HA SER 19 -12.570 -6.192 -1.967
170 HB2 SER 19 2HB SER 19 -11.178 -5.497 -4.428
171 HB3 SER 19 1HB SER 19 -12.931 -5.484 -4.625
172 HG SER 19 HG SER 19 -11.314 -3.935 -2.929
173 H ALA 20 H ALA 20 -11.852 -8.960 -3.737
174 HA ALA 20 HA ALA 20 -13.975 -9.577 -5.308
175 HB1 ALA 20 1HB ALA 20 -13.200 -11.712 -3.422
176 HB2 ALA 20 2HB ALA 20 -11.906 -10.990 -4.378
177 HB3 ALA 20 3HB ALA 20 -13.289 -11.732 -5.184
178 H LYS 21 H LYS 21 -13.915 -9.424 -1.854
179 HA LYS 21 HA LYS 21 -16.817 -9.797 -1.796
180 HB2 LYS 21 2HB LYS 21 -15.010 -10.610 0.455
181 HB3 LYS 21 1HB LYS 21 -16.716 -10.975 0.241
182 HG2 LYS 21 2HG LYS 21 -14.727 -11.981 -1.743
183 HG3 LYS 21 1HG LYS 21 -14.930 -12.812 -0.200
184 HD2 LYS 21 2HD LYS 21 -16.984 -13.598 -0.743
185 HD3 LYS 21 1HD LYS 21 -17.413 -12.150 -1.656
186 HE2 LYS 21 2HE LYS 21 -15.462 -13.166 -3.225
187 HE3 LYS 21 1HE LYS 21 -16.128 -14.649 -2.546
188 HZ1 LYS 21 3HZ LYS 21 -17.808 -12.561 -3.811
189 HZ2 LYS 21 1HZ LYS 21 -18.252 -14.142 -3.405
190 HZ3 LYS 21 2HZ LYS 21 -17.165 -13.867 -4.671
191 H LYS 22 H LYS 22 -16.405 -7.508 -2.140
192 HA LYS 22 HA LYS 22 -15.456 -5.855 -0.019
193 HB2 LYS 22 2HB LYS 22 -16.456 -3.992 -1.353
194 HB3 LYS 22 1HB LYS 22 -15.330 -5.000 -2.252
195 HG2 LYS 22 2HG LYS 22 -17.121 -6.116 -3.376
196 HG3 LYS 22 1HG LYS 22 -18.320 -5.317 -2.356
197 HD2 LYS 22 2HD LYS 22 -16.424 -3.714 -4.033
198 HD3 LYS 22 1HD LYS 22 -17.891 -4.400 -4.736
199 HE2 LYS 22 2HE LYS 22 -19.258 -3.212 -3.140
200 HE3 LYS 22 1HE LYS 22 -17.823 -2.613 -2.308
201 HZ1 LYS 22 3HZ LYS 22 -17.352 -1.142 -3.988
202 HZ2 LYS 22 1HZ LYS 22 -19.044 -1.118 -4.014
203 HZ3 LYS 22 2HZ LYS 22 -18.192 -2.020 -5.164
204 H LYS 23 H LYS 23 -18.286 -7.609 -0.351
205 HA LYS 23 HA LYS 23 -19.568 -5.995 1.724
206 HB2 LYS 23 2HB LYS 23 -21.780 -6.816 0.477
207 HB3 LYS 23 1HB LYS 23 -20.995 -5.293 0.087
208 HG2 LYS 23 2HG LYS 23 -21.505 -6.326 -1.967
209 HG3 LYS 23 1HG LYS 23 -19.767 -6.522 -1.737
210 HD2 LYS 23 2HD LYS 23 -20.386 -8.801 -0.698
211 HD3 LYS 23 1HD LYS 23 -21.946 -8.566 -1.488
212 HE2 LYS 23 2HE LYS 23 -19.506 -8.155 -3.122
213 HE3 LYS 23 1HE LYS 23 -19.914 -9.810 -2.675
214 HZ1 LYS 23 3HZ LYS 23 -21.165 -9.688 -4.520
215 HZ2 LYS 23 1HZ LYS 23 -21.257 -7.998 -4.498
216 HZ3 LYS 23 2HZ LYS 23 -22.279 -8.914 -3.509
217 H ARG 24 H ARG 24 -18.185 -7.988 2.539
218 HA ARG 24 HA ARG 24 -19.555 -10.514 2.488
219 HB2 ARG 24 2HB ARG 24 -17.840 -11.134 4.235
220 HB3 ARG 24 1HB ARG 24 -17.189 -10.616 2.686
221 HG2 ARG 24 2HG ARG 24 -17.495 -8.376 4.477
222 HG3 ARG 24 1HG ARG 24 -16.519 -9.651 5.208
223 HD2 ARG 24 2HD ARG 24 -15.489 -9.581 2.700
224 HD3 ARG 24 1HD ARG 24 -15.938 -7.891 2.924
225 HE ARG 24 HE ARG 24 -13.829 -9.324 4.264
226 HH11 ARG 24 1HH1 ARG 24 -15.972 -6.574 4.401
227 HH12 ARG 24 2HH1 ARG 24 -14.943 -5.666 5.456
228 HH21 ARG 24 1HH2 ARG 24 -12.474 -8.133 5.653
229 HH22 ARG 24 2HH2 ARG 24 -12.957 -6.551 6.168
Start of MODEL 9
1 H2 PRO 1 1HT PRO 1 -3.180 15.345 -3.562
2 H3 PRO 1 2HT PRO 1 -1.630 15.570 -3.058
3 HA PRO 1 HA PRO 1 -1.104 15.529 -5.037
4 HB2 PRO 1 2HB PRO 1 -1.510 12.785 -5.714
5 HB3 PRO 1 1HB PRO 1 -0.019 13.573 -5.194
6 HG2 PRO 1 2HG PRO 1 -1.441 11.720 -3.705
7 HG3 PRO 1 1HG PRO 1 -0.263 12.869 -3.054
8 HD2 PRO 1 2HD PRO 1 -3.249 13.011 -3.062
9 HD3 PRO 1 1HD PRO 1 -2.101 13.521 -1.813
10 H LEU 2 H LEU 2 -4.086 13.643 -4.672
11 HA LEU 2 HA LEU 2 -4.977 14.702 -7.266
12 HB2 LEU 2 2HB LEU 2 -6.583 12.453 -6.427
13 HB3 LEU 2 1HB LEU 2 -5.678 12.671 -7.901
14 HG LEU 2 HG LEU 2 -5.068 10.619 -6.767
15 HD11 LEU 2 1HD1 LEU 2 -3.262 11.211 -7.969
16 HD12 LEU 2 2HD1 LEU 2 -2.547 11.335 -6.363
17 HD13 LEU 2 3HD1 LEU 2 -3.114 12.785 -7.191
18 HD21 LEU 2 3HD2 LEU 2 -3.589 11.764 -4.568
19 HD22 LEU 2 1HD2 LEU 2 -4.754 10.444 -4.577
20 HD23 LEU 2 2HD2 LEU 2 -5.312 12.110 -4.440
21 H SER 3 H SER 3 -7.497 13.156 -5.674
22 HA SER 3 HA SER 3 -8.287 15.545 -4.191
23 HB2 SER 3 2HB SER 3 -9.347 14.987 -6.677
24 HB3 SER 3 1HB SER 3 -10.517 14.242 -5.587
25 HG SER 3 HG SER 3 -10.635 16.642 -6.197
26 H ARG 4 H ARG 4 -7.971 12.203 -4.489
27 HA ARG 4 HA ARG 4 -9.730 11.723 -2.182
28 HB2 ARG 4 2HB ARG 4 -10.223 9.608 -3.062
29 HB3 ARG 4 1HB ARG 4 -10.259 10.680 -4.453
30 HG2 ARG 4 2HG ARG 4 -7.702 9.901 -4.578
31 HG3 ARG 4 1HG ARG 4 -8.393 8.473 -3.807
32 HD2 ARG 4 2HD ARG 4 -9.943 9.530 -6.062
33 HD3 ARG 4 1HD ARG 4 -8.334 8.952 -6.489
34 HE ARG 4 HE ARG 4 -9.299 6.932 -4.995
35 HH11 ARG 4 1HH1 ARG 4 -10.621 8.676 -7.714
36 HH12 ARG 4 2HH1 ARG 4 -11.547 7.330 -8.287
37 HH21 ARG 4 1HH2 ARG 4 -10.515 5.161 -5.747
38 HH22 ARG 4 2HH2 ARG 4 -11.487 5.334 -7.171
39 H GLY 5 H GLY 5 -6.708 11.007 -3.720
40 HA2 GLY 5 2HA GLY 5 -4.653 10.724 -2.535
41 HA3 GLY 5 1HA GLY 5 -5.582 10.173 -1.142
42 H LYS 6 H LYS 6 -6.079 9.172 -4.485
43 HA LYS 6 HA LYS 6 -6.270 6.473 -3.873
44 HB2 LYS 6 2HB LYS 6 -5.672 6.150 -6.344
45 HB3 LYS 6 1HB LYS 6 -7.167 6.952 -5.892
46 HG2 LYS 6 2HG LYS 6 -6.340 9.071 -6.483
47 HG3 LYS 6 1HG LYS 6 -4.674 8.491 -6.535
48 HD2 LYS 6 2HD LYS 6 -5.283 7.064 -8.471
49 HD3 LYS 6 1HD LYS 6 -6.895 7.782 -8.450
50 HE2 LYS 6 2HE LYS 6 -4.649 9.687 -8.487
51 HE3 LYS 6 1HE LYS 6 -4.837 8.707 -9.940
52 HZ1 LYS 6 3HZ LYS 6 -6.596 10.762 -8.843
53 HZ2 LYS 6 1HZ LYS 6 -7.335 9.446 -9.608
54 HZ3 LYS 6 2HZ LYS 6 -6.226 10.403 -10.453
55 H LYS 7 H LYS 7 -3.510 8.394 -3.994
56 HA LYS 7 HA LYS 7 -1.491 6.667 -4.826
57 HB2 LYS 7 2HB LYS 7 -0.135 7.838 -3.001
58 HB3 LYS 7 1HB LYS 7 -0.847 8.860 -4.239
59 HG2 LYS 7 2HG LYS 7 -1.406 10.071 -2.408
60 HG3 LYS 7 1HG LYS 7 -2.805 9.001 -2.457
61 HD2 LYS 7 2HD LYS 7 -1.375 7.459 -0.951
62 HD3 LYS 7 1HD LYS 7 -0.421 8.913 -0.653
63 HE2 LYS 7 2HE LYS 7 -3.313 9.305 -0.419
64 HE3 LYS 7 1HE LYS 7 -2.646 8.166 0.749
65 HZ1 LYS 7 3HZ LYS 7 -2.642 10.441 1.586
66 HZ2 LYS 7 1HZ LYS 7 -1.660 10.932 0.298
67 HZ3 LYS 7 2HZ LYS 7 -1.067 9.843 1.446
68 H TRP 8 H TRP 8 -3.616 6.626 -2.242
69 HA TRP 8 HA TRP 8 -2.226 4.816 -0.485
70 HB2 TRP 8 2HB TRP 8 -4.037 4.980 0.965
71 HB3 TRP 8 1HB TRP 8 -4.177 6.507 0.106
72 HD1 TRP 8 HD TRP 8 -5.779 5.936 -2.321
73 HE1 TRP 8 1HE TRP 8 -8.162 5.034 -2.329
74 HE3 TRP 8 3HE TRP 8 -5.774 3.754 2.265
75 HZ2 TRP 8 2HZ TRP 8 -9.847 3.591 -0.581
76 HZ3 TRP 8 3HZ TRP 8 -7.811 2.640 3.039
77 HH2 TRP 8 HH TRP 8 -9.793 2.539 1.636
78 H THR 9 H THR 9 -4.684 4.704 -2.897
79 HA THR 9 HA THR 9 -5.379 2.020 -2.711
80 HB THR 9 HB THR 9 -5.967 4.281 -4.342
81 HG1 THR 9 1HG THR 9 -7.763 3.458 -3.661
82 HG21 THR 9 3HG2 THR 9 -4.639 3.052 -6.047
83 HG22 THR 9 1HG2 THR 9 -6.318 3.362 -6.479
84 HG23 THR 9 2HG2 THR 9 -5.832 1.759 -5.944
85 H GLU 10 H GLU 10 -2.916 3.710 -4.333
86 HA GLU 10 HA GLU 10 -2.001 1.787 -6.050
87 HB2 GLU 10 2HB GLU 10 -0.837 3.733 -6.311
88 HB3 GLU 10 1HB GLU 10 -1.015 4.141 -4.616
89 HG2 GLU 10 2HG GLU 10 1.344 3.810 -5.420
90 HG3 GLU 10 1HG GLU 10 0.868 2.904 -3.988
91 H LYS 11 H LYS 11 -1.101 2.405 -2.768
92 HA LYS 11 HA LYS 11 0.353 -0.098 -2.553
93 HB2 LYS 11 2HB LYS 11 0.665 0.865 -0.202
94 HB3 LYS 11 1HB LYS 11 1.535 1.547 -1.568
95 HG2 LYS 11 2HG LYS 11 0.533 3.528 -1.362
96 HG3 LYS 11 1HG LYS 11 -1.047 2.782 -1.133
97 HD2 LYS 11 2HD LYS 11 1.071 3.126 0.972
98 HD3 LYS 11 1HD LYS 11 -0.431 4.047 0.830
99 HE2 LYS 11 2HE LYS 11 -1.539 1.694 0.877
100 HE3 LYS 11 1HE LYS 11 -0.022 1.196 1.612
101 HZ1 LYS 11 3HZ LYS 11 -2.010 3.126 2.645
102 HZ2 LYS 11 1HZ LYS 11 -0.419 3.107 3.222
103 HZ3 LYS 11 2HZ LYS 11 -1.399 1.740 3.398
104 H LEU 12 H LEU 12 -2.505 1.428 -1.474
105 HA LEU 12 HA LEU 12 -2.976 -0.824 0.279
106 HB2 LEU 12 2HB LEU 12 -3.644 0.637 1.746
107 HB3 LEU 12 1HB LEU 12 -3.268 1.897 0.630
108 HG LEU 12 HG LEU 12 -5.382 2.413 1.231
109 HD11 LEU 12 1HD1 LEU 12 -6.384 0.665 -0.871
110 HD12 LEU 12 2HD1 LEU 12 -4.986 1.651 -1.286
111 HD13 LEU 12 3HD1 LEU 12 -6.455 2.411 -0.716
112 HD21 LEU 12 3HD2 LEU 12 -7.161 0.814 1.629
113 HD22 LEU 12 1HD2 LEU 12 -5.748 0.452 2.611
114 HD23 LEU 12 2HD2 LEU 12 -6.087 -0.494 1.160
115 H ALA 13 H ALA 13 -3.956 0.433 -2.705
116 HA ALA 13 HA ALA 13 -6.461 -1.125 -2.575
117 HB1 ALA 13 1HB ALA 13 -6.952 -0.421 -4.818
118 HB2 ALA 13 2HB ALA 13 -5.357 0.294 -4.993
119 HB3 ALA 13 3HB ALA 13 -6.514 0.981 -3.859
120 H ARG 14 H ARG 14 -3.190 -1.403 -3.165
121 HA ARG 14 HA ARG 14 -3.343 -3.650 -5.017
122 HB2 ARG 14 2HB ARG 14 -0.940 -3.879 -4.371
123 HB3 ARG 14 1HB ARG 14 -1.337 -2.253 -4.932
124 HG2 ARG 14 2HG ARG 14 -0.849 -1.353 -2.963
125 HG3 ARG 14 1HG ARG 14 -1.779 -2.549 -2.082
126 HD2 ARG 14 2HD ARG 14 0.814 -2.306 -1.783
127 HD3 ARG 14 1HD ARG 14 -0.005 -3.863 -1.701
128 HE ARG 14 HE ARG 14 1.381 -4.487 -3.393
129 HH11 ARG 14 1HH1 ARG 14 0.684 -1.084 -3.892
130 HH12 ARG 14 2HH1 ARG 14 1.523 -1.011 -5.400
131 HH21 ARG 14 1HH2 ARG 14 2.496 -4.365 -5.360
132 HH22 ARG 14 2HH2 ARG 14 2.561 -2.864 -6.223
133 H PHE 15 H PHE 15 -3.674 -2.928 -1.702
134 HA PHE 15 HA PHE 15 -3.406 -5.769 -0.987
135 HB2 PHE 15 2HB PHE 15 -2.650 -5.091 1.137
136 HB3 PHE 15 1HB PHE 15 -1.803 -4.087 -0.021
137 HD1 PHE 15 1HD PHE 15 -5.240 -3.574 1.306
138 HD2 PHE 15 2HD PHE 15 -1.197 -2.282 1.201
139 HE1 PHE 15 1HE PHE 15 -5.837 -1.666 2.607
140 HE2 PHE 15 2HE PHE 15 -1.786 -0.346 2.513
141 HZ PHE 15 HZ PHE 15 -4.116 -0.032 3.285
142 H GLN 16 H GLN 16 -5.568 -3.266 -1.410
143 HA GLN 16 HA GLN 16 -7.447 -3.608 0.602
144 HB2 GLN 16 2HB GLN 16 -8.877 -2.358 -0.738
145 HB3 GLN 16 1HB GLN 16 -7.283 -1.870 -1.280
146 HG2 GLN 16 2HG GLN 16 -7.979 -2.286 -3.339
147 HG3 GLN 16 1HG GLN 16 -7.900 -3.998 -2.925
148 HE21 GLN 16 1HE2 GLN 16 -9.736 -2.098 -4.555
149 HE22 GLN 16 2HE2 GLN 16 -11.320 -2.632 -4.118
150 H ARG 17 H ARG 17 -6.394 -5.930 -1.476
151 HA ARG 17 HA ARG 17 -8.480 -7.340 -2.478
152 HB2 ARG 17 2HB ARG 17 -6.943 -9.369 -1.627
153 HB3 ARG 17 1HB ARG 17 -6.534 -8.375 -3.017
154 HG2 ARG 17 2HG ARG 17 -4.798 -7.352 -1.950
155 HG3 ARG 17 1HG ARG 17 -5.571 -7.453 -0.370
156 HD2 ARG 17 2HD ARG 17 -3.518 -8.895 -0.744
157 HD3 ARG 17 1HD ARG 17 -4.945 -9.685 -0.074
158 HE ARG 17 HE ARG 17 -4.731 -9.854 -2.943
159 HH11 ARG 17 1HH1 ARG 17 -3.881 -11.339 0.100
160 HH12 ARG 17 2HH1 ARG 17 -3.660 -12.913 -0.588
161 HH21 ARG 17 1HH2 ARG 17 -4.440 -11.924 -3.848
162 HH22 ARG 17 2HH2 ARG 17 -3.976 -13.245 -2.829
163 H SER 18 H SER 18 -7.093 -7.755 0.716
164 HA SER 18 HA SER 18 -9.645 -8.927 1.620
165 HB2 SER 18 2HB SER 18 -6.987 -9.450 2.919
166 HB3 SER 18 1HB SER 18 -8.494 -10.347 3.103
167 HG SER 18 HG SER 18 -8.213 -11.250 1.134
168 H SER 19 H SER 19 -7.820 -6.216 1.795
169 HA SER 19 HA SER 19 -7.648 -5.535 4.483
170 HB2 SER 19 2HB SER 19 -6.903 -4.261 2.328
171 HB3 SER 19 1HB SER 19 -8.485 -3.492 2.459
172 HG SER 19 HG SER 19 -7.847 -2.978 4.673
173 H ALA 20 H ALA 20 -10.422 -6.204 2.711
174 HA ALA 20 HA ALA 20 -12.392 -4.499 3.484
175 HB1 ALA 20 1HB ALA 20 -13.032 -7.373 3.768
176 HB2 ALA 20 2HB ALA 20 -12.397 -6.835 2.213
177 HB3 ALA 20 3HB ALA 20 -13.867 -6.110 2.865
178 H LYS 21 H LYS 21 -10.753 -6.820 5.449
179 HA LYS 21 HA LYS 21 -12.181 -5.823 7.801
180 HB2 LYS 21 2HB LYS 21 -11.143 -8.627 7.509
181 HB3 LYS 21 1HB LYS 21 -12.109 -7.973 8.823
182 HG2 LYS 21 2HG LYS 21 -13.728 -7.512 6.689
183 HG3 LYS 21 1HG LYS 21 -12.935 -9.016 6.213
184 HD2 LYS 21 2HD LYS 21 -13.522 -9.668 8.719
185 HD3 LYS 21 1HD LYS 21 -14.792 -8.469 8.467
186 HE2 LYS 21 2HE LYS 21 -15.900 -10.302 7.708
187 HE3 LYS 21 1HE LYS 21 -15.091 -9.843 6.209
188 HZ1 LYS 21 3HZ LYS 21 -13.306 -11.419 6.793
189 HZ2 LYS 21 1HZ LYS 21 -14.805 -12.176 6.580
190 HZ3 LYS 21 2HZ LYS 21 -14.202 -11.917 8.138
191 H LYS 22 H LYS 22 -10.333 -4.419 7.458
192 HA LYS 22 HA LYS 22 -7.950 -5.414 8.871
193 HB2 LYS 22 2HB LYS 22 -7.759 -4.711 6.366
194 HB3 LYS 22 1HB LYS 22 -7.825 -3.073 7.002
195 HG2 LYS 22 2HG LYS 22 -5.927 -4.094 8.597
196 HG3 LYS 22 1HG LYS 22 -5.678 -5.085 7.158
197 HD2 LYS 22 2HD LYS 22 -5.751 -2.830 5.888
198 HD3 LYS 22 1HD LYS 22 -5.451 -2.113 7.473
199 HE2 LYS 22 2HE LYS 22 -3.736 -4.219 6.161
200 HE3 LYS 22 1HE LYS 22 -3.379 -2.492 6.188
201 HZ1 LYS 22 3HZ LYS 22 -2.150 -3.406 7.935
202 HZ2 LYS 22 1HZ LYS 22 -3.425 -4.386 8.459
203 HZ3 LYS 22 2HZ LYS 22 -3.493 -2.713 8.695
204 H LYS 23 H LYS 23 -10.519 -3.988 9.725
205 HA LYS 23 HA LYS 23 -9.173 -1.961 11.352
206 HB2 LYS 23 2HB LYS 23 -11.931 -1.447 10.274
207 HB3 LYS 23 1HB LYS 23 -10.788 -0.303 10.963
208 HG2 LYS 23 2HG LYS 23 -10.406 -1.701 8.325
209 HG3 LYS 23 1HG LYS 23 -11.090 -0.085 8.513
210 HD2 LYS 23 2HD LYS 23 -8.494 -0.587 9.837
211 HD3 LYS 23 1HD LYS 23 -8.483 -0.539 8.073
212 HE2 LYS 23 2HE LYS 23 -9.935 1.637 8.498
213 HE3 LYS 23 1HE LYS 23 -9.075 1.613 10.036
214 HZ1 LYS 23 3HZ LYS 23 -7.909 2.936 8.385
215 HZ2 LYS 23 1HZ LYS 23 -7.805 1.600 7.351
216 HZ3 LYS 23 2HZ LYS 23 -6.985 1.591 8.830
217 H ARG 24 H ARG 24 -9.471 -4.269 12.434
218 HA ARG 24 HA ARG 24 -10.353 -5.435 14.177
219 HB2 ARG 24 2HB ARG 24 -11.220 -2.649 14.636
220 HB3 ARG 24 1HB ARG 24 -12.133 -3.875 15.505
221 HG2 ARG 24 2HG ARG 24 -9.719 -4.747 16.111
222 HG3 ARG 24 1HG ARG 24 -9.293 -3.065 15.787
223 HD2 ARG 24 2HD ARG 24 -9.764 -3.302 18.128
224 HD3 ARG 24 1HD ARG 24 -11.058 -2.365 17.385
225 HE ARG 24 HE ARG 24 -11.240 -5.097 18.411
226 HH11 ARG 24 1HH1 ARG 24 -12.811 -2.375 16.874
227 HH12 ARG 24 2HH1 ARG 24 -14.407 -2.962 17.196
228 HH21 ARG 24 1HH2 ARG 24 -13.339 -5.862 18.825
229 HH22 ARG 24 2HH2 ARG 24 -14.708 -4.938 18.300
Start of MODEL 10
1 H2 PRO 1 1HT PRO 1 -9.883 15.670 -6.186
2 H3 PRO 1 2HT PRO 1 -11.267 15.795 -7.067
3 HA PRO 1 HA PRO 1 -11.134 13.796 -7.475
4 HB2 PRO 1 2HB PRO 1 -8.662 13.709 -8.994
5 HB3 PRO 1 1HB PRO 1 -10.329 13.567 -9.565
6 HG2 PRO 1 2HG PRO 1 -8.765 15.735 -10.074
7 HG3 PRO 1 1HG PRO 1 -10.531 15.816 -9.941
8 HD2 PRO 1 2HD PRO 1 -8.443 16.511 -7.896
9 HD3 PRO 1 1HD PRO 1 -9.920 17.392 -8.333
10 H LEU 2 H LEU 2 -7.689 14.666 -7.079
11 HA LEU 2 HA LEU 2 -7.294 12.227 -5.533
12 HB2 LEU 2 2HB LEU 2 -5.124 12.277 -6.086
13 HB3 LEU 2 1HB LEU 2 -5.773 13.180 -7.435
14 HG LEU 2 HG LEU 2 -3.972 14.489 -6.924
15 HD11 LEU 2 1HD1 LEU 2 -4.834 16.464 -6.335
16 HD12 LEU 2 2HD1 LEU 2 -5.377 15.871 -4.766
17 HD13 LEU 2 3HD1 LEU 2 -6.359 15.592 -6.202
18 HD21 LEU 2 3HD2 LEU 2 -3.934 14.680 -4.065
19 HD22 LEU 2 1HD2 LEU 2 -2.701 14.056 -5.162
20 HD23 LEU 2 2HD2 LEU 2 -3.963 12.985 -4.553
21 H SER 3 H SER 3 -8.641 14.739 -4.579
22 HA SER 3 HA SER 3 -6.955 15.757 -2.476
23 HB2 SER 3 2HB SER 3 -9.476 16.463 -3.622
24 HB3 SER 3 1HB SER 3 -9.725 16.195 -1.897
25 HG SER 3 HG SER 3 -8.035 17.678 -1.500
26 H ARG 4 H ARG 4 -7.786 12.894 -2.991
27 HA ARG 4 HA ARG 4 -8.838 12.150 -0.376
28 HB2 ARG 4 2HB ARG 4 -9.891 10.421 -1.460
29 HB3 ARG 4 1HB ARG 4 -9.827 11.598 -2.761
30 HG2 ARG 4 2HG ARG 4 -7.511 10.353 -3.231
31 HG3 ARG 4 1HG ARG 4 -8.384 9.020 -2.473
32 HD2 ARG 4 2HD ARG 4 -9.727 10.644 -4.584
33 HD3 ARG 4 1HD ARG 4 -8.526 9.448 -5.058
34 HE ARG 4 HE ARG 4 -9.938 7.743 -4.295
35 HH11 ARG 4 1HH1 ARG 4 -11.359 10.900 -3.801
36 HH12 ARG 4 2HH1 ARG 4 -12.951 10.276 -3.539
37 HH21 ARG 4 1HH2 ARG 4 -12.033 6.930 -3.946
38 HH22 ARG 4 2HH2 ARG 4 -13.335 8.026 -3.621
39 H GLY 5 H GLY 5 -6.302 11.712 -2.700
40 HA2 GLY 5 2HA GLY 5 -4.097 11.043 -2.302
41 HA3 GLY 5 1HA GLY 5 -4.566 10.556 -0.675
42 H LYS 6 H LYS 6 -5.930 9.664 -3.834
43 HA LYS 6 HA LYS 6 -6.282 6.973 -3.143
44 HB2 LYS 6 2HB LYS 6 -6.495 6.559 -5.574
45 HB3 LYS 6 1HB LYS 6 -7.568 7.778 -4.907
46 HG2 LYS 6 2HG LYS 6 -5.645 9.406 -5.704
47 HG3 LYS 6 1HG LYS 6 -5.303 8.072 -6.807
48 HD2 LYS 6 2HD LYS 6 -7.985 8.261 -7.081
49 HD3 LYS 6 1HD LYS 6 -7.579 9.944 -6.740
50 HE2 LYS 6 2HE LYS 6 -5.859 9.811 -8.549
51 HE3 LYS 6 1HE LYS 6 -6.480 8.209 -8.947
52 HZ1 LYS 6 3HZ LYS 6 -8.550 9.116 -9.574
53 HZ2 LYS 6 1HZ LYS 6 -7.380 10.097 -10.304
54 HZ3 LYS 6 2HZ LYS 6 -8.187 10.632 -8.916
55 H LYS 7 H LYS 7 -3.486 8.637 -3.888
56 HA LYS 7 HA LYS 7 -1.895 6.754 -5.192
57 HB2 LYS 7 2HB LYS 7 -0.326 7.862 -3.093
58 HB3 LYS 7 1HB LYS 7 -0.310 8.291 -4.794
59 HG2 LYS 7 2HG LYS 7 -0.715 10.317 -3.819
60 HG3 LYS 7 1HG LYS 7 -2.359 9.772 -4.135
61 HD2 LYS 7 2HD LYS 7 -2.188 10.676 -1.889
62 HD3 LYS 7 1HD LYS 7 -2.504 8.942 -1.826
63 HE2 LYS 7 2HE LYS 7 -0.694 8.652 -0.586
64 HE3 LYS 7 1HE LYS 7 0.303 9.307 -1.884
65 HZ1 LYS 7 3HZ LYS 7 -1.119 11.075 0.011
66 HZ2 LYS 7 1HZ LYS 7 0.202 11.439 -0.983
67 HZ3 LYS 7 2HZ LYS 7 0.409 10.446 0.371
68 H TRP 8 H TRP 8 -3.345 6.827 -2.192
69 HA TRP 8 HA TRP 8 -1.774 4.848 -0.832
70 HB2 TRP 8 2HB TRP 8 -3.169 5.117 0.982
71 HB3 TRP 8 1HB TRP 8 -3.419 6.664 0.182
72 HD1 TRP 8 HD TRP 8 -5.594 6.446 -1.688
73 HE1 TRP 8 1HE TRP 8 -7.959 5.626 -1.181
74 HE3 TRP 8 3HE TRP 8 -4.532 3.579 2.366
75 HZ2 TRP 8 2HZ TRP 8 -9.218 3.968 0.741
76 HZ3 TRP 8 3HZ TRP 8 -6.364 2.415 3.503
77 HH2 TRP 8 HH TRP 8 -8.651 2.585 2.690
78 H THR 9 H THR 9 -4.762 5.005 -2.602
79 HA THR 9 HA THR 9 -5.757 2.467 -2.236
80 HB THR 9 HB THR 9 -6.322 4.647 -3.916
81 HG1 THR 9 1HG THR 9 -8.278 3.750 -3.920
82 HG21 THR 9 3HG2 THR 9 -5.118 3.561 -5.735
83 HG22 THR 9 1HG2 THR 9 -6.853 3.634 -6.047
84 HG23 THR 9 2HG2 THR 9 -6.114 2.120 -5.527
85 H GLU 10 H GLU 10 -3.131 3.662 -4.025
86 HA GLU 10 HA GLU 10 -2.526 1.597 -5.765
87 HB2 GLU 10 2HB GLU 10 -0.797 3.014 -6.096
88 HB3 GLU 10 1HB GLU 10 -1.374 3.952 -4.737
89 HG2 GLU 10 2HG GLU 10 0.820 3.576 -4.175
90 HG3 GLU 10 1HG GLU 10 -0.010 2.301 -3.297
91 H LYS 11 H LYS 11 -2.013 1.992 -2.355
92 HA LYS 11 HA LYS 11 -0.498 -0.370 -1.935
93 HB2 LYS 11 2HB LYS 11 -2.133 1.207 -0.004
94 HB3 LYS 11 1HB LYS 11 -0.826 0.093 0.386
95 HG2 LYS 11 2HG LYS 11 0.795 1.516 -0.469
96 HG3 LYS 11 1HG LYS 11 -0.395 2.481 -1.343
97 HD2 LYS 11 2HD LYS 11 0.675 2.999 1.200
98 HD3 LYS 11 1HD LYS 11 -0.651 3.845 0.403
99 HE2 LYS 11 2HE LYS 11 -2.276 2.430 1.425
100 HE3 LYS 11 1HE LYS 11 -1.033 1.331 2.021
101 HZ1 LYS 11 3HZ LYS 11 -2.132 3.253 3.499
102 HZ2 LYS 11 1HZ LYS 11 -0.794 4.092 2.894
103 HZ3 LYS 11 2HZ LYS 11 -0.571 2.659 3.763
104 H LEU 12 H LEU 12 -3.841 0.445 -2.008
105 HA LEU 12 HA LEU 12 -4.508 -2.132 -0.865
106 HB2 LEU 12 2HB LEU 12 -6.850 -0.870 -1.666
107 HB3 LEU 12 1HB LEU 12 -6.287 -1.284 -0.076
108 HG LEU 12 HG LEU 12 -6.487 1.311 -1.363
109 HD11 LEU 12 1HD1 LEU 12 -7.635 1.499 0.484
110 HD12 LEU 12 2HD1 LEU 12 -6.142 1.349 1.405
111 HD13 LEU 12 3HD1 LEU 12 -7.087 -0.083 1.024
112 HD21 LEU 12 3HD2 LEU 12 -3.949 0.414 -0.097
113 HD22 LEU 12 1HD2 LEU 12 -4.545 2.015 0.295
114 HD23 LEU 12 2HD2 LEU 12 -4.216 1.581 -1.374
115 H ALA 13 H ALA 13 -4.379 -0.303 -3.707
116 HA ALA 13 HA ALA 13 -5.830 -2.067 -5.388
117 HB1 ALA 13 1HB ALA 13 -3.559 -0.145 -5.899
118 HB2 ALA 13 2HB ALA 13 -5.251 0.026 -6.364
119 HB3 ALA 13 3HB ALA 13 -4.228 -1.160 -7.177
120 H ARG 14 H ARG 14 -3.018 -2.179 -3.461
121 HA ARG 14 HA ARG 14 -2.112 -4.634 -4.866
122 HB2 ARG 14 2HB ARG 14 0.057 -4.217 -3.835
123 HB3 ARG 14 1HB ARG 14 -0.456 -2.814 -4.775
124 HG2 ARG 14 2HG ARG 14 -0.351 -1.529 -2.977
125 HG3 ARG 14 1HG ARG 14 -1.474 -2.586 -2.142
126 HD2 ARG 14 2HD ARG 14 0.700 -2.241 -1.002
127 HD3 ARG 14 1HD ARG 14 0.222 -3.915 -1.278
128 HE ARG 14 HE ARG 14 2.170 -4.164 -2.426
129 HH11 ARG 14 1HH1 ARG 14 1.234 -0.801 -2.707
130 HH12 ARG 14 2HH1 ARG 14 2.598 -0.380 -3.683
131 HH21 ARG 14 1HH2 ARG 14 3.963 -3.594 -3.696
132 HH22 ARG 14 2HH2 ARG 14 4.148 -1.959 -4.237
133 H PHE 15 H PHE 15 -3.578 -3.387 -1.984
134 HA PHE 15 HA PHE 15 -2.917 -5.939 -0.681
135 HB2 PHE 15 2HB PHE 15 -2.893 -4.907 1.472
136 HB3 PHE 15 1HB PHE 15 -1.811 -4.038 0.407
137 HD1 PHE 15 1HD PHE 15 -5.466 -3.751 1.198
138 HD2 PHE 15 2HD PHE 15 -1.655 -1.902 0.916
139 HE1 PHE 15 1HE PHE 15 -6.420 -1.670 1.931
140 HE2 PHE 15 2HE PHE 15 -2.594 0.182 1.637
141 HZ PHE 15 HZ PHE 15 -4.996 0.334 2.207
142 H GLN 16 H GLN 16 -5.423 -3.551 -1.176
143 HA GLN 16 HA GLN 16 -7.462 -4.816 0.270
144 HB2 GLN 16 2HB GLN 16 -7.302 -2.909 -1.991
145 HB3 GLN 16 1HB GLN 16 -8.843 -3.717 -1.734
146 HG2 GLN 16 2HG GLN 16 -7.481 -2.540 0.600
147 HG3 GLN 16 1HG GLN 16 -8.218 -1.444 -0.566
148 HE21 GLN 16 1HE2 GLN 16 -10.335 -1.066 -0.421
149 HE22 GLN 16 2HE2 GLN 16 -11.444 -1.945 0.569
150 H ARG 17 H ARG 17 -5.773 -5.826 -2.449
151 HA ARG 17 HA ARG 17 -7.338 -7.148 -4.166
152 HB2 ARG 17 2HB ARG 17 -5.429 -9.033 -3.765
153 HB3 ARG 17 1HB ARG 17 -5.181 -7.568 -4.705
154 HG2 ARG 17 2HG ARG 17 -3.823 -6.630 -3.143
155 HG3 ARG 17 1HG ARG 17 -4.683 -7.366 -1.795
156 HD2 ARG 17 2HD ARG 17 -2.893 -8.693 -1.652
157 HD3 ARG 17 1HD ARG 17 -3.633 -9.554 -2.999
158 HE ARG 17 HE ARG 17 -1.286 -7.866 -3.079
159 HH11 ARG 17 1HH1 ARG 17 -3.794 -9.448 -4.925
160 HH12 ARG 17 2HH1 ARG 17 -2.893 -9.420 -6.403
161 HH21 ARG 17 1HH2 ARG 17 -0.106 -7.826 -5.025
162 HH22 ARG 17 2HH2 ARG 17 -0.802 -8.498 -6.461
163 H SER 18 H SER 18 -6.214 -8.445 -1.123
164 HA SER 18 HA SER 18 -8.400 -10.423 -1.179
165 HB2 SER 18 2HB SER 18 -5.844 -10.580 0.406
166 HB3 SER 18 1HB SER 18 -7.062 -11.841 0.225
167 HG SER 18 HG SER 18 -6.402 -12.220 -1.800
168 H SER 19 H SER 19 -7.086 -7.733 0.432
169 HA SER 19 HA SER 19 -7.989 -8.131 3.058
170 HB2 SER 19 2HB SER 19 -6.743 -6.079 1.630
171 HB3 SER 19 1HB SER 19 -8.250 -5.369 2.205
172 HG SER 19 HG SER 19 -7.598 -6.324 4.314
173 H ALA 20 H ALA 20 -9.755 -7.947 0.243
174 HA ALA 20 HA ALA 20 -12.052 -6.538 1.222
175 HB1 ALA 20 1HB ALA 20 -12.169 -8.408 -1.098
176 HB2 ALA 20 2HB ALA 20 -11.261 -6.902 -1.227
177 HB3 ALA 20 3HB ALA 20 -12.985 -6.863 -0.862
178 H LYS 21 H LYS 21 -11.074 -9.869 0.980
179 HA LYS 21 HA LYS 21 -13.411 -10.629 2.567
180 HB2 LYS 21 2HB LYS 21 -12.120 -12.431 0.544
181 HB3 LYS 21 1HB LYS 21 -13.625 -12.683 1.416
182 HG2 LYS 21 2HG LYS 21 -14.430 -10.561 0.190
183 HG3 LYS 21 1HG LYS 21 -13.069 -10.865 -0.892
184 HD2 LYS 21 2HD LYS 21 -14.671 -13.246 -0.351
185 HD3 LYS 21 1HD LYS 21 -15.586 -11.951 -1.125
186 HE2 LYS 21 2HE LYS 21 -12.914 -12.488 -2.249
187 HE3 LYS 21 1HE LYS 21 -14.107 -13.767 -2.467
188 HZ1 LYS 21 3HZ LYS 21 -14.329 -10.942 -3.342
189 HZ2 LYS 21 1HZ LYS 21 -15.618 -12.036 -3.382
190 HZ3 LYS 21 2HZ LYS 21 -14.241 -12.317 -4.324
191 H LYS 22 H LYS 22 -11.703 -10.043 4.073
192 HA LYS 22 HA LYS 22 -9.989 -12.345 4.715
193 HB2 LYS 22 2HB LYS 22 -8.850 -10.131 4.137
194 HB3 LYS 22 1HB LYS 22 -9.482 -9.535 5.666
195 HG2 LYS 22 2HG LYS 22 -7.957 -12.079 5.695
196 HG3 LYS 22 1HG LYS 22 -7.066 -10.574 5.458
197 HD2 LYS 22 2HD LYS 22 -7.526 -9.810 7.559
198 HD3 LYS 22 1HD LYS 22 -9.069 -10.660 7.648
199 HE2 LYS 22 2HE LYS 22 -7.866 -12.784 7.918
200 HE3 LYS 22 1HE LYS 22 -6.333 -11.913 7.863
201 HZ1 LYS 22 3HZ LYS 22 -8.265 -12.130 10.017
202 HZ2 LYS 22 1HZ LYS 22 -7.587 -10.594 9.803
203 HZ3 LYS 22 2HZ LYS 22 -6.587 -11.928 10.082
204 H LYS 23 H LYS 23 -12.413 -10.170 5.835
205 HA LYS 23 HA LYS 23 -12.623 -11.714 8.310
206 HB2 LYS 23 2HB LYS 23 -13.248 -9.527 9.472
207 HB3 LYS 23 1HB LYS 23 -11.544 -9.778 9.117
208 HG2 LYS 23 2HG LYS 23 -12.574 -8.476 6.874
209 HG3 LYS 23 1HG LYS 23 -13.305 -7.670 8.263
210 HD2 LYS 23 2HD LYS 23 -10.438 -8.230 8.547
211 HD3 LYS 23 1HD LYS 23 -10.840 -7.103 7.251
212 HE2 LYS 23 2HE LYS 23 -12.406 -6.158 9.244
213 HE3 LYS 23 1HE LYS 23 -11.046 -6.789 10.171
214 HZ1 LYS 23 3HZ LYS 23 -10.626 -5.027 7.837
215 HZ2 LYS 23 1HZ LYS 23 -9.568 -5.357 9.116
216 HZ3 LYS 23 2HZ LYS 23 -10.931 -4.388 9.373
217 H ARG 24 H ARG 24 -14.156 -12.443 6.386
218 HA ARG 24 HA ARG 24 -16.312 -12.807 5.750
219 HB2 ARG 24 2HB ARG 24 -16.589 -11.557 8.427
220 HB3 ARG 24 1HB ARG 24 -18.031 -11.590 7.422
221 HG2 ARG 24 2HG ARG 24 -18.227 -13.852 7.530
222 HG3 ARG 24 1HG ARG 24 -16.488 -14.106 7.691
223 HD2 ARG 24 2HD ARG 24 -18.303 -13.010 9.836
224 HD3 ARG 24 1HD ARG 24 -17.712 -14.669 9.750
225 HE ARG 24 HE ARG 24 -15.617 -12.705 9.749
226 HH11 ARG 24 1HH1 ARG 24 -17.743 -14.607 11.759
227 HH12 ARG 24 2HH1 ARG 24 -16.697 -14.547 13.137
228 HH21 ARG 24 1HH2 ARG 24 -14.240 -12.625 11.560
229 HH22 ARG 24 2HH2 ARG 24 -14.709 -13.423 13.025
Start of MODEL 11
1 H2 PRO 1 1HT PRO 1 -2.676 15.572 -2.909
2 H3 PRO 1 2HT PRO 1 -1.176 16.224 -3.098
3 HA PRO 1 HA PRO 1 -0.848 15.384 -4.969
4 HB2 PRO 1 2HB PRO 1 -2.135 12.869 -5.077
5 HB3 PRO 1 1HB PRO 1 -0.404 13.182 -4.891
6 HG2 PRO 1 2HG PRO 1 -2.460 12.626 -2.816
7 HG3 PRO 1 1HG PRO 1 -0.742 12.191 -2.845
8 HD2 PRO 1 2HD PRO 1 -1.613 14.159 -1.275
9 HD3 PRO 1 1HD PRO 1 -0.067 14.308 -2.132
10 H LEU 2 H LEU 2 -3.995 14.073 -3.878
11 HA LEU 2 HA LEU 2 -5.253 15.544 -6.093
12 HB2 LEU 2 2HB LEU 2 -6.589 13.111 -5.022
13 HB3 LEU 2 1HB LEU 2 -6.550 13.737 -6.656
14 HG LEU 2 HG LEU 2 -4.028 12.960 -6.529
15 HD11 LEU 2 1HD1 LEU 2 -5.415 11.458 -4.340
16 HD12 LEU 2 2HD1 LEU 2 -3.820 12.208 -4.337
17 HD13 LEU 2 3HD1 LEU 2 -4.093 10.721 -5.245
18 HD21 LEU 2 3HD2 LEU 2 -6.539 11.660 -7.288
19 HD22 LEU 2 1HD2 LEU 2 -5.196 10.546 -7.036
20 HD23 LEU 2 2HD2 LEU 2 -5.043 11.862 -8.200
21 H SER 3 H SER 3 -7.565 13.977 -4.217
22 HA SER 3 HA SER 3 -7.809 16.182 -2.316
23 HB2 SER 3 2HB SER 3 -9.825 15.293 -4.355
24 HB3 SER 3 1HB SER 3 -10.386 15.900 -2.796
25 HG SER 3 HG SER 3 -9.710 17.859 -3.296
26 H ARG 4 H ARG 4 -7.842 12.914 -3.075
27 HA ARG 4 HA ARG 4 -9.120 12.191 -0.531
28 HB2 ARG 4 2HB ARG 4 -9.952 10.264 -1.546
29 HB3 ARG 4 1HB ARG 4 -10.132 11.485 -2.794
30 HG2 ARG 4 2HG ARG 4 -7.669 10.511 -3.382
31 HG3 ARG 4 1HG ARG 4 -8.459 9.066 -2.751
32 HD2 ARG 4 2HD ARG 4 -9.776 10.834 -4.790
33 HD3 ARG 4 1HD ARG 4 -8.646 9.565 -5.263
34 HE ARG 4 HE ARG 4 -10.378 8.230 -3.704
35 HH11 ARG 4 1HH1 ARG 4 -10.862 10.425 -6.376
36 HH12 ARG 4 2HH1 ARG 4 -12.347 9.688 -6.874
37 HH21 ARG 4 1HH2 ARG 4 -12.330 7.260 -4.361
38 HH22 ARG 4 2HH2 ARG 4 -13.179 7.890 -5.733
39 H GLY 5 H GLY 5 -6.483 11.706 -2.712
40 HA2 GLY 5 2HA GLY 5 -4.286 11.088 -2.185
41 HA3 GLY 5 1HA GLY 5 -4.836 10.608 -0.580
42 H LYS 6 H LYS 6 -6.116 9.699 -3.755
43 HA LYS 6 HA LYS 6 -6.412 7.000 -3.042
44 HB2 LYS 6 2HB LYS 6 -6.800 6.561 -5.401
45 HB3 LYS 6 1HB LYS 6 -7.761 7.884 -4.762
46 HG2 LYS 6 2HG LYS 6 -6.949 9.305 -6.272
47 HG3 LYS 6 1HG LYS 6 -5.286 8.849 -5.892
48 HD2 LYS 6 2HD LYS 6 -5.510 6.882 -7.350
49 HD3 LYS 6 1HD LYS 6 -7.157 7.373 -7.746
50 HE2 LYS 6 2HE LYS 6 -4.735 9.092 -8.248
51 HE3 LYS 6 1HE LYS 6 -5.412 7.989 -9.445
52 HZ1 LYS 6 3HZ LYS 6 -7.268 9.271 -9.716
53 HZ2 LYS 6 1HZ LYS 6 -6.128 10.477 -9.387
54 HZ3 LYS 6 2HZ LYS 6 -7.181 9.955 -8.171
55 H LYS 7 H LYS 7 -3.657 8.708 -3.885
56 HA LYS 7 HA LYS 7 -2.107 6.833 -5.243
57 HB2 LYS 7 2HB LYS 7 -0.378 7.882 -3.320
58 HB3 LYS 7 1HB LYS 7 -0.620 8.490 -4.948
59 HG2 LYS 7 2HG LYS 7 -0.828 10.344 -3.539
60 HG3 LYS 7 1HG LYS 7 -2.479 9.917 -3.978
61 HD2 LYS 7 2HD LYS 7 -2.390 10.392 -1.618
62 HD3 LYS 7 1HD LYS 7 -2.665 8.666 -1.847
63 HE2 LYS 7 2HE LYS 7 -0.826 8.163 -0.717
64 HE3 LYS 7 1HE LYS 7 0.148 9.200 -1.758
65 HZ1 LYS 7 3HZ LYS 7 -1.063 9.784 0.840
66 HZ2 LYS 7 1HZ LYS 7 -0.943 11.054 -0.272
67 HZ3 LYS 7 2HZ LYS 7 0.450 10.233 0.230
68 H TRP 8 H TRP 8 -3.465 6.895 -2.199
69 HA TRP 8 HA TRP 8 -1.831 4.925 -0.895
70 HB2 TRP 8 2HB TRP 8 -3.167 5.178 0.965
71 HB3 TRP 8 1HB TRP 8 -3.459 6.724 0.178
72 HD1 TRP 8 HD TRP 8 -5.698 6.472 -1.628
73 HE1 TRP 8 1HE TRP 8 -8.036 5.634 -1.029
74 HE3 TRP 8 3HE TRP 8 -4.467 3.646 2.411
75 HZ2 TRP 8 2HZ TRP 8 -9.209 3.978 0.946
76 HZ3 TRP 8 3HZ TRP 8 -6.247 2.475 3.619
77 HH2 TRP 8 HH TRP 8 -8.561 2.616 2.884
78 H THR 9 H THR 9 -4.873 5.060 -2.571
79 HA THR 9 HA THR 9 -5.836 2.514 -2.182
80 HB THR 9 HB THR 9 -6.457 4.694 -3.848
81 HG1 THR 9 1HG THR 9 -7.725 2.206 -3.403
82 HG21 THR 9 3HG2 THR 9 -5.318 3.610 -5.701
83 HG22 THR 9 1HG2 THR 9 -7.062 3.655 -5.953
84 HG23 THR 9 2HG2 THR 9 -6.282 2.156 -5.447
85 H GLU 10 H GLU 10 -3.274 3.730 -4.045
86 HA GLU 10 HA GLU 10 -2.703 1.675 -5.808
87 HB2 GLU 10 2HB GLU 10 -1.027 3.149 -6.182
88 HB3 GLU 10 1HB GLU 10 -1.519 4.024 -4.750
89 HG2 GLU 10 2HG GLU 10 0.709 3.619 -4.351
90 HG3 GLU 10 1HG GLU 10 -0.079 2.325 -3.461
91 H LYS 11 H LYS 11 -2.084 2.069 -2.415
92 HA LYS 11 HA LYS 11 -0.554 -0.294 -2.054
93 HB2 LYS 11 2HB LYS 11 -2.098 1.321 -0.073
94 HB3 LYS 11 1HB LYS 11 -0.815 0.171 0.290
95 HG2 LYS 11 2HG LYS 11 0.828 1.533 -0.602
96 HG3 LYS 11 1HG LYS 11 -0.342 2.506 -1.494
97 HD2 LYS 11 2HD LYS 11 0.782 3.103 0.992
98 HD3 LYS 11 1HD LYS 11 -0.570 3.925 0.216
99 HE2 LYS 11 2HE LYS 11 -2.160 2.573 1.354
100 HE3 LYS 11 1HE LYS 11 -0.910 1.466 1.923
101 HZ1 LYS 11 3HZ LYS 11 -0.357 2.823 3.614
102 HZ2 LYS 11 1HZ LYS 11 -1.913 3.450 3.394
103 HZ3 LYS 11 2HZ LYS 11 -0.580 4.240 2.718
104 H LEU 12 H LEU 12 -3.900 0.520 -2.002
105 HA LEU 12 HA LEU 12 -4.523 -2.066 -0.851
106 HB2 LEU 12 2HB LEU 12 -6.900 -0.794 -1.571
107 HB3 LEU 12 1HB LEU 12 -6.304 -1.238 0.000
108 HG LEU 12 HG LEU 12 -6.540 1.375 -1.249
109 HD11 LEU 12 1HD1 LEU 12 -7.045 -0.037 1.148
110 HD12 LEU 12 2HD1 LEU 12 -7.607 1.552 0.642
111 HD13 LEU 12 3HD1 LEU 12 -6.082 1.389 1.504
112 HD21 LEU 12 3HD2 LEU 12 -4.272 1.644 -1.359
113 HD22 LEU 12 1HD2 LEU 12 -3.950 0.476 -0.095
114 HD23 LEU 12 2HD2 LEU 12 -4.531 2.076 0.322
115 H ALA 13 H ALA 13 -4.433 -0.242 -3.692
116 HA ALA 13 HA ALA 13 -5.932 -1.982 -5.352
117 HB1 ALA 13 1HB ALA 13 -5.010 0.328 -5.989
118 HB2 ALA 13 2HB ALA 13 -4.851 -0.944 -7.200
119 HB3 ALA 13 3HB ALA 13 -3.461 -0.481 -6.218
120 H ARG 14 H ARG 14 -3.070 -2.128 -3.504
121 HA ARG 14 HA ARG 14 -2.236 -4.617 -4.906
122 HB2 ARG 14 2HB ARG 14 -0.037 -4.216 -3.890
123 HB3 ARG 14 1HB ARG 14 -0.539 -2.837 -4.872
124 HG2 ARG 14 2HG ARG 14 -0.478 -1.482 -3.114
125 HG3 ARG 14 1HG ARG 14 -1.511 -2.564 -2.200
126 HD2 ARG 14 2HD ARG 14 0.723 -2.074 -1.202
127 HD3 ARG 14 1HD ARG 14 0.270 -3.770 -1.355
128 HE ARG 14 HE ARG 14 2.144 -4.047 -2.617
129 HH11 ARG 14 1HH1 ARG 14 1.134 -0.714 -2.969
130 HH12 ARG 14 2HH1 ARG 14 2.431 -0.308 -4.039
131 HH21 ARG 14 1HH2 ARG 14 3.850 -3.501 -4.013
132 HH22 ARG 14 2HH2 ARG 14 3.974 -1.886 -4.627
133 H PHE 15 H PHE 15 -3.528 -3.271 -1.999
134 HA PHE 15 HA PHE 15 -2.971 -5.820 -0.633
135 HB2 PHE 15 2HB PHE 15 -2.714 -4.737 1.450
136 HB3 PHE 15 1HB PHE 15 -1.743 -3.853 0.292
137 HD1 PHE 15 2HD PHE 15 -5.351 -3.618 1.304
138 HD2 PHE 15 1HD PHE 15 -1.581 -1.720 0.847
139 HE1 PHE 15 2HE PHE 15 -6.304 -1.552 2.058
140 HE2 PHE 15 1HE PHE 15 -2.515 0.349 1.611
141 HZ PHE 15 HZ PHE 15 -4.893 0.473 2.276
142 H GLN 16 H GLN 16 -5.381 -3.420 -1.288
143 HA GLN 16 HA GLN 16 -7.436 -4.010 0.374
144 HB2 GLN 16 2HB GLN 16 -8.788 -2.975 -1.162
145 HB3 GLN 16 1HB GLN 16 -7.220 -2.485 -1.759
146 HG2 GLN 16 2HG GLN 16 -8.067 -3.157 -3.719
147 HG3 GLN 16 1HG GLN 16 -7.505 -4.732 -3.160
148 HE21 GLN 16 1HE2 GLN 16 -8.923 -6.307 -3.286
149 HE22 GLN 16 2HE2 GLN 16 -10.643 -6.139 -3.282
150 H ARG 17 H ARG 17 -6.002 -6.087 -1.910
151 HA ARG 17 HA ARG 17 -7.840 -7.886 -2.719
152 HB2 ARG 17 2HB ARG 17 -5.820 -9.558 -2.121
153 HB3 ARG 17 1HB ARG 17 -5.807 -8.482 -3.511
154 HG2 ARG 17 2HG ARG 17 -4.318 -6.994 -2.510
155 HG3 ARG 17 1HG ARG 17 -4.701 -7.559 -0.886
156 HD2 ARG 17 2HD ARG 17 -2.566 -8.400 -1.364
157 HD3 ARG 17 1HD ARG 17 -3.671 -9.762 -1.542
158 HE ARG 17 HE ARG 17 -3.284 -8.489 -4.033
159 HH11 ARG 17 1HH1 ARG 17 -1.654 -10.563 -1.747
160 HH12 ARG 17 2HH1 ARG 17 -0.657 -11.313 -2.947
161 HH21 ARG 17 1HH2 ARG 17 -1.971 -9.476 -5.614
162 HH22 ARG 17 2HH2 ARG 17 -0.835 -10.696 -5.142
163 H SER 18 H SER 18 -6.119 -7.976 0.338
164 HA SER 18 HA SER 18 -7.803 -10.137 1.317
165 HB2 SER 18 2HB SER 18 -5.686 -8.667 2.863
166 HB3 SER 18 1HB SER 18 -6.340 -10.275 3.172
167 HG SER 18 HG SER 18 -4.866 -9.553 0.856
168 H SER 19 H SER 19 -8.243 -6.938 1.069
169 HA SER 19 HA SER 19 -9.010 -6.040 3.597
170 HB2 SER 19 2HB SER 19 -8.883 -4.817 1.276
171 HB3 SER 19 1HB SER 19 -10.592 -5.239 1.188
172 HG SER 19 HG SER 19 -9.284 -3.682 3.163
173 H ALA 20 H ALA 20 -10.338 -8.526 1.770
174 HA ALA 20 HA ALA 20 -13.078 -8.289 2.372
175 HB1 ALA 20 1HB ALA 20 -12.770 -9.813 0.710
176 HB2 ALA 20 2HB ALA 20 -12.885 -10.914 2.083
177 HB3 ALA 20 3HB ALA 20 -11.305 -10.471 1.439
178 H LYS 21 H LYS 21 -10.418 -9.761 4.088
179 HA LYS 21 HA LYS 21 -12.147 -10.050 6.428
180 HB2 LYS 21 2HB LYS 21 -9.854 -11.898 5.901
181 HB3 LYS 21 1HB LYS 21 -11.182 -12.086 7.037
182 HG2 LYS 21 2HG LYS 21 -12.474 -11.973 4.621
183 HG3 LYS 21 1HG LYS 21 -10.994 -12.851 4.232
184 HD2 LYS 21 2HD LYS 21 -11.672 -14.682 5.325
185 HD3 LYS 21 1HD LYS 21 -12.217 -13.748 6.719
186 HE2 LYS 21 2HE LYS 21 -14.280 -13.180 5.511
187 HE3 LYS 21 1HE LYS 21 -13.735 -14.148 4.143
188 HZ1 LYS 21 3HZ LYS 21 -13.567 -15.998 5.940
189 HZ2 LYS 21 1HZ LYS 21 -15.067 -15.623 5.253
190 HZ3 LYS 21 2HZ LYS 21 -14.667 -15.029 6.785
191 H LYS 22 H LYS 22 -11.201 -7.894 6.519
192 HA LYS 22 HA LYS 22 -8.459 -7.682 7.393
193 HB2 LYS 22 2HB LYS 22 -8.918 -5.269 7.612
194 HB3 LYS 22 1HB LYS 22 -9.330 -5.888 6.020
195 HG2 LYS 22 2HG LYS 22 -11.718 -6.126 7.077
196 HG3 LYS 22 1HG LYS 22 -11.104 -4.907 8.194
197 HD2 LYS 22 2HD LYS 22 -10.594 -3.425 6.347
198 HD3 LYS 22 1HD LYS 22 -11.088 -4.659 5.187
199 HE2 LYS 22 2HE LYS 22 -13.252 -4.146 5.411
200 HE3 LYS 22 1HE LYS 22 -13.142 -4.095 7.170
201 HZ1 LYS 22 3HZ LYS 22 -12.836 -1.881 7.174
202 HZ2 LYS 22 1HZ LYS 22 -13.599 -1.955 5.665
203 HZ3 LYS 22 2HZ LYS 22 -11.912 -1.875 5.757
204 H LYS 23 H LYS 23 -11.628 -7.068 8.810
205 HA LYS 23 HA LYS 23 -10.526 -7.740 11.432
206 HB2 LYS 23 2HB LYS 23 -11.927 -5.875 12.422
207 HB3 LYS 23 1HB LYS 23 -10.496 -5.371 11.534
208 HG2 LYS 23 2HG LYS 23 -12.415 -5.352 9.589
209 HG3 LYS 23 1HG LYS 23 -13.316 -4.836 11.015
210 HD2 LYS 23 2HD LYS 23 -11.149 -3.315 11.334
211 HD3 LYS 23 1HD LYS 23 -11.090 -3.497 9.580
212 HE2 LYS 23 2HE LYS 23 -13.578 -2.834 9.645
213 HE3 LYS 23 1HE LYS 23 -13.233 -2.263 11.277
214 HZ1 LYS 23 3HZ LYS 23 -13.028 -0.499 9.626
215 HZ2 LYS 23 1HZ LYS 23 -11.823 -1.371 8.819
216 HZ3 LYS 23 2HZ LYS 23 -11.548 -0.798 10.387
217 H ARG 24 H ARG 24 -11.774 -9.614 10.211
218 HA ARG 24 HA ARG 24 -13.502 -11.094 10.300
219 HB2 ARG 24 2HB ARG 24 -13.953 -9.430 12.745
220 HB3 ARG 24 1HB ARG 24 -15.178 -10.599 12.269
221 HG2 ARG 24 2HG ARG 24 -13.949 -12.345 12.935
222 HG3 ARG 24 1HG ARG 24 -12.452 -11.664 12.295
223 HD2 ARG 24 2HD ARG 24 -12.211 -11.797 14.657
224 HD3 ARG 24 1HD ARG 24 -12.438 -10.097 14.251
225 HE ARG 24 HE ARG 24 -14.946 -11.126 14.822
226 HH11 ARG 24 1HH1 ARG 24 -11.922 -10.636 16.494
227 HH12 ARG 24 2HH1 ARG 24 -12.667 -10.439 18.044
228 HH21 ARG 24 1HH2 ARG 24 -15.929 -10.866 16.860
229 HH22 ARG 24 2HH2 ARG 24 -14.943 -10.568 18.252
Start of MODEL 12
1 H2 PRO 1 1HT PRO 1 -2.283 17.205 -5.242
2 H3 PRO 1 2HT PRO 1 -0.950 16.267 -5.454
3 HA PRO 1 HA PRO 1 -2.073 14.559 -5.372
4 HB2 PRO 1 2HB PRO 1 -3.466 14.365 -3.032
5 HB3 PRO 1 1HB PRO 1 -1.733 14.039 -3.173
6 HG2 PRO 1 2HG PRO 1 -3.124 16.541 -2.304
7 HG3 PRO 1 1HG PRO 1 -1.727 15.729 -1.573
8 HD2 PRO 1 2HD PRO 1 -1.412 17.881 -3.139
9 HD3 PRO 1 1HD PRO 1 -0.253 16.540 -3.181
10 H LEU 2 H LEU 2 -4.661 14.037 -4.146
11 HA LEU 2 HA LEU 2 -6.331 15.653 -5.933
12 HB2 LEU 2 2HB LEU 2 -7.361 13.119 -4.755
13 HB3 LEU 2 1HB LEU 2 -7.618 13.796 -6.350
14 HG LEU 2 HG LEU 2 -5.086 13.161 -6.678
15 HD11 LEU 2 1HD1 LEU 2 -4.139 11.838 -5.159
16 HD12 LEU 2 2HD1 LEU 2 -5.552 10.787 -5.089
17 HD13 LEU 2 3HD1 LEU 2 -5.483 12.236 -4.089
18 HD21 LEU 2 3HD2 LEU 2 -7.480 11.350 -6.762
19 HD22 LEU 2 1HD2 LEU 2 -5.901 10.839 -7.357
20 HD23 LEU 2 2HD2 LEU 2 -6.713 12.225 -8.087
21 H SER 3 H SER 3 -8.233 13.909 -3.774
22 HA SER 3 HA SER 3 -8.297 16.055 -1.791
23 HB2 SER 3 2HB SER 3 -10.127 16.667 -3.172
24 HB3 SER 3 1HB SER 3 -10.621 14.990 -3.397
25 HG SER 3 HG SER 3 -11.489 14.960 -1.413
26 H ARG 4 H ARG 4 -8.238 12.815 -2.631
27 HA ARG 4 HA ARG 4 -9.047 11.947 0.056
28 HB2 ARG 4 2HB ARG 4 -9.881 9.980 -0.875
29 HB3 ARG 4 1HB ARG 4 -10.334 11.197 -2.057
30 HG2 ARG 4 2HG ARG 4 -7.945 10.447 -3.049
31 HG3 ARG 4 1HG ARG 4 -8.452 8.935 -2.295
32 HD2 ARG 4 2HD ARG 4 -10.567 10.271 -3.805
33 HD3 ARG 4 1HD ARG 4 -9.174 9.825 -4.790
34 HE ARG 4 HE ARG 4 -10.104 7.707 -3.084
35 HH11 ARG 4 1HH1 ARG 4 -10.517 9.277 -6.173
36 HH12 ARG 4 2HH1 ARG 4 -11.205 7.881 -6.932
37 HH21 ARG 4 1HH2 ARG 4 -11.010 5.869 -4.081
38 HH22 ARG 4 2HH2 ARG 4 -11.485 5.947 -5.744
39 H GLY 5 H GLY 5 -6.753 11.718 -2.521
40 HA2 GLY 5 2HA GLY 5 -4.457 11.282 -2.364
41 HA3 GLY 5 1HA GLY 5 -4.702 10.736 -0.706
42 H LYS 6 H LYS 6 -6.423 9.763 -3.636
43 HA LYS 6 HA LYS 6 -6.492 7.065 -3.007
44 HB2 LYS 6 2HB LYS 6 -6.894 6.685 -5.433
45 HB3 LYS 6 1HB LYS 6 -7.987 7.789 -4.613
46 HG2 LYS 6 2HG LYS 6 -7.330 9.569 -5.840
47 HG3 LYS 6 1HG LYS 6 -5.653 9.026 -5.916
48 HD2 LYS 6 2HD LYS 6 -7.648 7.407 -7.387
49 HD3 LYS 6 1HD LYS 6 -7.289 9.009 -8.036
50 HE2 LYS 6 2HE LYS 6 -4.955 8.488 -8.198
51 HE3 LYS 6 1HE LYS 6 -5.188 6.961 -7.347
52 HZ1 LYS 6 3HZ LYS 6 -6.559 6.200 -9.203
53 HZ2 LYS 6 1HZ LYS 6 -4.993 6.592 -9.710
54 HZ3 LYS 6 2HZ LYS 6 -6.273 7.652 -10.024
55 H LYS 7 H LYS 7 -3.843 8.867 -4.018
56 HA LYS 7 HA LYS 7 -2.322 7.075 -5.500
57 HB2 LYS 7 2HB LYS 7 -0.362 8.107 -4.231
58 HB3 LYS 7 1HB LYS 7 -1.397 9.218 -5.116
59 HG2 LYS 7 2HG LYS 7 -1.215 10.363 -3.170
60 HG3 LYS 7 1HG LYS 7 -2.612 9.365 -2.769
61 HD2 LYS 7 2HD LYS 7 -0.968 7.693 -1.810
62 HD3 LYS 7 1HD LYS 7 0.256 8.955 -1.966
63 HE2 LYS 7 2HE LYS 7 -1.351 10.428 -0.635
64 HE3 LYS 7 1HE LYS 7 -2.211 8.937 -0.252
65 HZ1 LYS 7 3HZ LYS 7 -0.794 8.828 1.454
66 HZ2 LYS 7 1HZ LYS 7 0.294 9.929 0.772
67 HZ3 LYS 7 2HZ LYS 7 0.345 8.300 0.320
68 H TRP 8 H TRP 8 -3.451 7.044 -2.354
69 HA TRP 8 HA TRP 8 -1.680 5.092 -1.213
70 HB2 TRP 8 2HB TRP 8 -2.865 5.299 0.757
71 HB3 TRP 8 1HB TRP 8 -3.208 6.860 0.022
72 HD1 TRP 8 HD TRP 8 -5.583 6.615 -1.627
73 HE1 TRP 8 1HE TRP 8 -7.872 5.806 -0.839
74 HE3 TRP 8 3HE TRP 8 -4.060 3.815 2.327
75 HZ2 TRP 8 2HZ TRP 8 -8.901 4.182 1.241
76 HZ3 TRP 8 3HZ TRP 8 -5.749 2.671 3.684
77 HH2 TRP 8 HH TRP 8 -8.114 2.830 3.134
78 H THR 9 H THR 9 -4.847 5.206 -2.630
79 HA THR 9 HA THR 9 -5.758 2.648 -2.194
80 HB THR 9 HB THR 9 -6.517 4.837 -3.798
81 HG1 THR 9 1HG THR 9 -7.788 3.385 -2.413
82 HG21 THR 9 3HG2 THR 9 -6.429 2.301 -5.408
83 HG22 THR 9 1HG2 THR 9 -5.524 3.778 -5.738
84 HG23 THR 9 2HG2 THR 9 -7.284 3.780 -5.847
85 H GLU 10 H GLU 10 -3.342 3.902 -4.231
86 HA GLU 10 HA GLU 10 -2.910 1.870 -6.055
87 HB2 GLU 10 2HB GLU 10 -1.116 3.188 -6.532
88 HB3 GLU 10 1HB GLU 10 -1.725 4.242 -5.273
89 HG2 GLU 10 2HG GLU 10 0.486 3.991 -4.691
90 HG3 GLU 10 1HG GLU 10 -0.318 2.808 -3.670
91 H LYS 11 H LYS 11 -2.076 2.178 -2.707
92 HA LYS 11 HA LYS 11 -0.562 -0.241 -2.630
93 HB2 LYS 11 2HB LYS 11 -1.760 0.908 -0.194
94 HB3 LYS 11 1HB LYS 11 -0.182 0.179 -0.408
95 HG2 LYS 11 2HG LYS 11 0.761 2.122 -1.147
96 HG3 LYS 11 1HG LYS 11 -0.770 2.783 -1.709
97 HD2 LYS 11 2HD LYS 11 0.536 3.112 0.842
98 HD3 LYS 11 1HD LYS 11 -0.849 3.974 0.177
99 HE2 LYS 11 2HE LYS 11 -2.350 2.216 0.965
100 HE3 LYS 11 1HE LYS 11 -0.975 1.288 1.568
101 HZ1 LYS 11 3HZ LYS 11 -1.722 4.000 2.527
102 HZ2 LYS 11 1HZ LYS 11 -0.511 3.004 3.161
103 HZ3 LYS 11 2HZ LYS 11 -2.136 2.558 3.310
104 H LEU 12 H LEU 12 -3.800 0.784 -1.950
105 HA LEU 12 HA LEU 12 -4.456 -1.787 -0.873
106 HB2 LEU 12 2HB LEU 12 -6.788 -0.398 -1.643
107 HB3 LEU 12 1HB LEU 12 -6.265 -0.999 -0.101
108 HG LEU 12 HG LEU 12 -6.452 1.698 -1.030
109 HD11 LEU 12 1HD1 LEU 12 -6.835 0.089 1.205
110 HD12 LEU 12 2HD1 LEU 12 -7.219 1.787 1.003
111 HD13 LEU 12 3HD1 LEU 12 -5.661 1.313 1.668
112 HD21 LEU 12 3HD2 LEU 12 -4.308 2.346 0.256
113 HD22 LEU 12 1HD2 LEU 12 -4.168 1.839 -1.417
114 HD23 LEU 12 2HD2 LEU 12 -3.764 0.724 -0.127
115 H ALA 13 H ALA 13 -4.410 -0.045 -3.743
116 HA ALA 13 HA ALA 13 -5.904 -1.879 -5.346
117 HB1 ALA 13 1HB ALA 13 -5.335 0.355 -6.216
118 HB2 ALA 13 2HB ALA 13 -4.637 -0.898 -7.241
119 HB3 ALA 13 3HB ALA 13 -3.618 -0.029 -6.095
120 H ARG 14 H ARG 14 -3.137 -1.881 -3.438
121 HA ARG 14 HA ARG 14 -1.902 -4.129 -4.879
122 HB2 ARG 14 2HB ARG 14 0.088 -3.501 -4.007
123 HB3 ARG 14 1HB ARG 14 -0.715 -1.974 -3.668
124 HG2 ARG 14 2HG ARG 14 -1.408 -3.178 -1.432
125 HG3 ARG 14 1HG ARG 14 -0.025 -4.197 -1.797
126 HD2 ARG 14 2HD ARG 14 0.146 -1.225 -1.805
127 HD3 ARG 14 1HD ARG 14 0.327 -2.157 -0.332
128 HE ARG 14 HE ARG 14 2.345 -3.034 -1.163
129 HH11 ARG 14 1HH1 ARG 14 0.911 -0.779 -3.447
130 HH12 ARG 14 2HH1 ARG 14 2.391 -0.535 -4.305
131 HH21 ARG 14 1HH2 ARG 14 4.268 -2.709 -2.320
132 HH22 ARG 14 2HH2 ARG 14 4.284 -1.635 -3.679
133 H PHE 15 H PHE 15 -3.669 -3.210 -1.979
134 HA PHE 15 HA PHE 15 -3.433 -6.024 -1.152
135 HB2 PHE 15 2HB PHE 15 -3.751 -5.204 1.161
136 HB3 PHE 15 1HB PHE 15 -2.265 -4.687 0.392
137 HD1 PHE 15 1HD PHE 15 -5.678 -3.534 1.272
138 HD2 PHE 15 2HD PHE 15 -1.676 -2.498 0.313
139 HE1 PHE 15 1HE PHE 15 -6.085 -1.285 1.994
140 HE2 PHE 15 2HE PHE 15 -2.073 -0.252 1.017
141 HZ PHE 15 HZ PHE 15 -4.278 0.407 1.904
142 H GLN 16 H GLN 16 -5.594 -3.241 -1.000
143 HA GLN 16 HA GLN 16 -7.877 -4.585 -0.135
144 HB2 GLN 16 2HB GLN 16 -7.345 -2.157 -1.766
145 HB3 GLN 16 1HB GLN 16 -9.000 -2.726 -1.590
146 HG2 GLN 16 2HG GLN 16 -7.277 -2.390 0.806
147 HG3 GLN 16 1HG GLN 16 -8.032 -0.983 0.060
148 HE21 GLN 16 1HE2 GLN 16 -8.551 -3.895 1.856
149 HE22 GLN 16 2HE2 GLN 16 -10.209 -3.608 2.251
150 H ARG 17 H ARG 17 -6.210 -4.798 -3.082
151 HA ARG 17 HA ARG 17 -7.970 -5.292 -5.059
152 HB2 ARG 17 2HB ARG 17 -6.206 -7.273 -5.548
153 HB3 ARG 17 1HB ARG 17 -5.875 -5.575 -5.856
154 HG2 ARG 17 2HG ARG 17 -4.305 -5.464 -4.254
155 HG3 ARG 17 1HG ARG 17 -5.248 -6.431 -3.120
156 HD2 ARG 17 2HD ARG 17 -4.641 -8.345 -4.840
157 HD3 ARG 17 1HD ARG 17 -3.275 -7.275 -5.157
158 HE ARG 17 HE ARG 17 -3.469 -7.555 -2.405
159 HH11 ARG 17 1HH1 ARG 17 -2.845 -9.591 -5.169
160 HH12 ARG 17 2HH1 ARG 17 -1.852 -10.700 -4.285
161 HH21 ARG 17 1HH2 ARG 17 -2.163 -9.012 -1.241
162 HH22 ARG 17 2HH2 ARG 17 -1.464 -10.373 -2.055
163 H SER 18 H SER 18 -7.389 -7.275 -2.287
164 HA SER 18 HA SER 18 -8.675 -9.629 -3.270
165 HB2 SER 18 2HB SER 18 -8.218 -8.818 -0.404
166 HB3 SER 18 1HB SER 18 -8.540 -10.443 -1.007
167 HG SER 18 HG SER 18 -6.193 -9.052 -0.916
168 H SER 19 H SER 19 -10.017 -6.735 -2.782
169 HA SER 19 HA SER 19 -12.178 -6.994 -1.105
170 HB2 SER 19 2HB SER 19 -11.328 -5.093 -2.853
171 HB3 SER 19 1HB SER 19 -12.778 -5.672 -3.673
172 HG SER 19 HG SER 19 -12.770 -3.928 -1.825
173 H ALA 20 H ALA 20 -11.544 -8.829 -3.874
174 HA ALA 20 HA ALA 20 -13.986 -9.321 -5.033
175 HB1 ALA 20 1HB ALA 20 -12.353 -10.431 -6.150
176 HB2 ALA 20 2HB ALA 20 -12.954 -11.774 -5.178
177 HB3 ALA 20 3HB ALA 20 -11.510 -10.897 -4.673
178 H LYS 21 H LYS 21 -12.748 -10.493 -2.012
179 HA LYS 21 HA LYS 21 -15.367 -11.650 -1.412
180 HB2 LYS 21 2HB LYS 21 -12.828 -12.737 -0.259
181 HB3 LYS 21 1HB LYS 21 -14.427 -13.464 -0.274
182 HG2 LYS 21 2HG LYS 21 -14.010 -14.516 -2.182
183 HG3 LYS 21 1HG LYS 21 -13.501 -13.017 -2.961
184 HD2 LYS 21 2HD LYS 21 -11.397 -13.639 -1.267
185 HD3 LYS 21 1HD LYS 21 -11.904 -15.203 -1.906
186 HE2 LYS 21 2HE LYS 21 -10.725 -14.737 -3.735
187 HE3 LYS 21 1HE LYS 21 -11.922 -13.496 -4.105
188 HZ1 LYS 21 3HZ LYS 21 -10.117 -12.176 -4.053
189 HZ2 LYS 21 1HZ LYS 21 -9.224 -13.220 -3.066
190 HZ3 LYS 21 2HZ LYS 21 -10.378 -12.189 -2.382
191 H LYS 22 H LYS 22 -15.433 -9.393 -0.756
192 HA LYS 22 HA LYS 22 -14.303 -8.904 1.901
193 HB2 LYS 22 2HB LYS 22 -14.038 -7.244 -0.073
194 HB3 LYS 22 1HB LYS 22 -15.710 -6.821 0.272
195 HG2 LYS 22 2HG LYS 22 -15.196 -5.880 2.307
196 HG3 LYS 22 1HG LYS 22 -13.709 -6.812 2.482
197 HD2 LYS 22 2HD LYS 22 -12.802 -4.792 1.945
198 HD3 LYS 22 1HD LYS 22 -13.040 -5.429 0.316
199 HE2 LYS 22 2HE LYS 22 -14.024 -3.397 0.043
200 HE3 LYS 22 1HE LYS 22 -15.419 -4.294 0.639
201 HZ1 LYS 22 3HZ LYS 22 -15.521 -2.599 2.089
202 HZ2 LYS 22 1HZ LYS 22 -13.889 -2.187 1.915
203 HZ3 LYS 22 2HZ LYS 22 -14.334 -3.467 2.927
204 H LYS 23 H LYS 23 -17.282 -8.066 0.209
205 HA LYS 23 HA LYS 23 -18.825 -9.008 2.510
206 HB2 LYS 23 2HB LYS 23 -20.236 -7.026 2.481
207 HB3 LYS 23 1HB LYS 23 -18.562 -6.569 2.758
208 HG2 LYS 23 2HG LYS 23 -19.341 -6.562 -0.059
209 HG3 LYS 23 1HG LYS 23 -20.237 -5.418 0.942
210 HD2 LYS 23 2HD LYS 23 -17.618 -5.120 1.785
211 HD3 LYS 23 1HD LYS 23 -17.473 -5.342 0.041
212 HE2 LYS 23 2HE LYS 23 -18.002 -3.197 -0.197
213 HE3 LYS 23 1HE LYS 23 -19.622 -3.595 0.374
214 HZ1 LYS 23 3HZ LYS 23 -17.457 -2.244 1.746
215 HZ2 LYS 23 1HZ LYS 23 -18.300 -3.374 2.680
216 HZ3 LYS 23 2HZ LYS 23 -19.129 -2.095 1.949
217 H ARG 24 H ARG 24 -18.663 -10.620 0.523
218 HA ARG 24 HA ARG 24 -20.232 -10.269 -1.748
219 HB2 ARG 24 2HB ARG 24 -19.798 -12.848 -0.233
220 HB3 ARG 24 1HB ARG 24 -20.274 -12.700 -1.919
221 HG2 ARG 24 2HG ARG 24 -18.177 -12.144 -2.610
222 HG3 ARG 24 1HG ARG 24 -17.748 -11.394 -1.072
223 HD2 ARG 24 2HD ARG 24 -18.145 -14.360 -1.393
224 HD3 ARG 24 1HD ARG 24 -16.584 -13.575 -1.625
225 HE ARG 24 HE ARG 24 -17.335 -12.713 0.820
226 HH11 ARG 24 1HH1 ARG 24 -17.130 -15.889 -0.613
227 HH12 ARG 24 2HH1 ARG 24 -16.783 -16.680 0.887
228 HH21 ARG 24 1HH2 ARG 24 -16.880 -13.752 2.793
229 HH22 ARG 24 2HH2 ARG 24 -16.643 -15.467 2.822
Start of MODEL 13
1 H2 PRO 1 1HT PRO 1 -10.507 15.342 -6.302
2 H3 PRO 1 2HT PRO 1 -11.837 15.369 -7.268
3 HA PRO 1 HA PRO 1 -11.455 13.422 -7.765
4 HB2 PRO 1 2HB PRO 1 -8.910 13.689 -9.130
5 HB3 PRO 1 1HB PRO 1 -10.519 13.414 -9.811
6 HG2 PRO 1 2HG PRO 1 -9.163 15.758 -10.095
7 HG3 PRO 1 1HG PRO 1 -10.932 15.648 -10.079
8 HD2 PRO 1 2HD PRO 1 -9.063 16.432 -7.863
9 HD3 PRO 1 1HD PRO 1 -10.599 17.175 -8.350
10 H LEU 2 H LEU 2 -8.061 14.438 -7.378
11 HA LEU 2 HA LEU 2 -7.600 12.092 -5.708
12 HB2 LEU 2 2HB LEU 2 -5.451 12.122 -6.342
13 HB3 LEU 2 1HB LEU 2 -6.152 12.946 -7.716
14 HG LEU 2 HG LEU 2 -4.342 14.288 -7.338
15 HD11 LEU 2 1HD1 LEU 2 -5.689 15.783 -5.218
16 HD12 LEU 2 2HD1 LEU 2 -6.710 15.420 -6.607
17 HD13 LEU 2 3HD1 LEU 2 -5.195 16.291 -6.832
18 HD21 LEU 2 3HD2 LEU 2 -3.012 13.953 -5.598
19 HD22 LEU 2 1HD2 LEU 2 -4.253 12.924 -4.883
20 HD23 LEU 2 2HD2 LEU 2 -4.206 14.645 -4.501
21 H SER 3 H SER 3 -8.935 14.649 -4.864
22 HA SER 3 HA SER 3 -7.198 15.826 -2.897
23 HB2 SER 3 2HB SER 3 -9.880 16.298 -3.906
24 HB3 SER 3 1HB SER 3 -9.861 16.335 -2.143
25 HG SER 3 HG SER 3 -7.987 17.759 -3.714
26 H ARG 4 H ARG 4 -8.030 12.906 -3.191
27 HA ARG 4 HA ARG 4 -8.931 12.346 -0.475
28 HB2 ARG 4 2HB ARG 4 -10.054 10.573 -1.380
29 HB3 ARG 4 1HB ARG 4 -10.007 11.616 -2.791
30 HG2 ARG 4 2HG ARG 4 -7.741 10.307 -3.230
31 HG3 ARG 4 1HG ARG 4 -8.561 9.068 -2.279
32 HD2 ARG 4 2HD ARG 4 -10.262 10.315 -4.297
33 HD3 ARG 4 1HD ARG 4 -8.850 9.507 -4.975
34 HE ARG 4 HE ARG 4 -9.747 7.479 -4.366
35 HH11 ARG 4 1HH1 ARG 4 -11.551 10.038 -2.821
36 HH12 ARG 4 2HH1 ARG 4 -12.802 8.984 -2.258
37 HH21 ARG 4 1HH2 ARG 4 -11.393 6.094 -3.629
38 HH22 ARG 4 2HH2 ARG 4 -12.713 6.746 -2.715
39 H GLY 5 H GLY 5 -6.514 11.752 -2.890
40 HA2 GLY 5 2HA GLY 5 -4.272 11.159 -2.523
41 HA3 GLY 5 1HA GLY 5 -4.685 10.717 -0.868
42 H LYS 6 H LYS 6 -6.235 9.700 -3.885
43 HA LYS 6 HA LYS 6 -6.478 7.033 -3.114
44 HB2 LYS 6 2HB LYS 6 -6.615 6.618 -5.654
45 HB3 LYS 6 1HB LYS 6 -7.881 7.492 -4.813
46 HG2 LYS 6 2HG LYS 6 -7.460 8.638 -6.852
47 HG3 LYS 6 1HG LYS 6 -6.791 9.623 -5.555
48 HD2 LYS 6 2HD LYS 6 -4.808 9.592 -6.561
49 HD3 LYS 6 1HD LYS 6 -4.762 7.835 -6.412
50 HE2 LYS 6 2HE LYS 6 -6.239 9.216 -8.633
51 HE3 LYS 6 1HE LYS 6 -4.527 8.812 -8.753
52 HZ1 LYS 6 3HZ LYS 6 -6.459 7.174 -9.522
53 HZ2 LYS 6 1HZ LYS 6 -6.304 6.666 -7.916
54 HZ3 LYS 6 2HZ LYS 6 -4.967 6.623 -8.949
55 H LYS 7 H LYS 7 -3.746 8.714 -4.048
56 HA LYS 7 HA LYS 7 -2.170 6.846 -5.366
57 HB2 LYS 7 2HB LYS 7 -0.278 7.881 -3.975
58 HB3 LYS 7 1HB LYS 7 -1.200 8.959 -5.012
59 HG2 LYS 7 2HG LYS 7 -1.128 10.210 -3.116
60 HG3 LYS 7 1HG LYS 7 -2.610 9.306 -2.812
61 HD2 LYS 7 2HD LYS 7 -0.977 7.594 -1.691
62 HD3 LYS 7 1HD LYS 7 0.093 8.992 -1.589
63 HE2 LYS 7 2HE LYS 7 -2.736 9.244 -0.677
64 HE3 LYS 7 1HE LYS 7 -1.567 8.431 0.362
65 HZ1 LYS 7 3HZ LYS 7 -1.307 10.556 1.073
66 HZ2 LYS 7 1HZ LYS 7 -1.724 11.244 -0.416
67 HZ3 LYS 7 2HZ LYS 7 -0.183 10.584 -0.191
68 H TRP 8 H TRP 8 -3.486 6.923 -2.296
69 HA TRP 8 HA TRP 8 -1.814 4.991 -0.994
70 HB2 TRP 8 2HB TRP 8 -3.121 5.263 0.890
71 HB3 TRP 8 1HB TRP 8 -3.413 6.803 0.090
72 HD1 TRP 8 HD TRP 8 -5.673 6.556 -1.679
73 HE1 TRP 8 1HE TRP 8 -8.006 5.729 -1.057
74 HE3 TRP 8 3HE TRP 8 -4.414 3.757 2.369
75 HZ2 TRP 8 2HZ TRP 8 -9.170 4.097 0.948
76 HZ3 TRP 8 3HZ TRP 8 -6.187 2.606 3.606
77 HH2 TRP 8 HH TRP 8 -8.508 2.750 2.892
78 H THR 9 H THR 9 -4.893 5.102 -2.598
79 HA THR 9 HA THR 9 -5.852 2.562 -2.164
80 HB THR 9 HB THR 9 -6.512 4.731 -3.830
81 HG1 THR 9 1HG THR 9 -7.750 2.258 -3.259
82 HG21 THR 9 3HG2 THR 9 -5.431 3.655 -5.711
83 HG22 THR 9 1HG2 THR 9 -7.183 3.658 -5.907
84 HG23 THR 9 2HG2 THR 9 -6.353 2.182 -5.413
85 H GLU 10 H GLU 10 -3.338 3.762 -4.100
86 HA GLU 10 HA GLU 10 -2.815 1.695 -5.864
87 HB2 GLU 10 2HB GLU 10 -1.136 3.150 -6.291
88 HB3 GLU 10 1HB GLU 10 -1.612 4.054 -4.872
89 HG2 GLU 10 2HG GLU 10 0.620 3.668 -4.489
90 HG3 GLU 10 1HG GLU 10 -0.147 2.382 -3.570
91 H LYS 11 H LYS 11 -2.121 2.113 -2.488
92 HA LYS 11 HA LYS 11 -0.578 -0.243 -2.139
93 HB2 LYS 11 2HB LYS 11 -2.096 1.362 -0.130
94 HB3 LYS 11 1HB LYS 11 -0.779 0.242 0.200
95 HG2 LYS 11 2HG LYS 11 0.807 1.639 -0.755
96 HG3 LYS 11 1HG LYS 11 -0.417 2.596 -1.590
97 HD2 LYS 11 2HD LYS 11 0.786 3.165 0.879
98 HD3 LYS 11 1HD LYS 11 -0.577 3.999 0.135
99 HE2 LYS 11 2HE LYS 11 -2.151 2.632 1.286
100 HE3 LYS 11 1HE LYS 11 -0.888 1.527 1.830
101 HZ1 LYS 11 3HZ LYS 11 -0.308 2.883 3.515
102 HZ2 LYS 11 1HZ LYS 11 -1.874 3.497 3.328
103 HZ3 LYS 11 2HZ LYS 11 -0.560 4.302 2.629
104 H LEU 12 H LEU 12 -3.924 0.570 -2.012
105 HA LEU 12 HA LEU 12 -4.525 -2.009 -0.831
106 HB2 LEU 12 2HB LEU 12 -6.915 -0.735 -1.510
107 HB3 LEU 12 1HB LEU 12 -6.285 -1.165 0.053
108 HG LEU 12 HG LEU 12 -6.541 1.436 -1.218
109 HD11 LEU 12 1HD1 LEU 12 -6.963 0.054 1.224
110 HD12 LEU 12 2HD1 LEU 12 -7.584 1.611 0.688
111 HD13 LEU 12 3HD1 LEU 12 -6.030 1.516 1.511
112 HD21 LEU 12 3HD2 LEU 12 -4.499 2.154 0.298
113 HD22 LEU 12 1HD2 LEU 12 -4.275 1.698 -1.381
114 HD23 LEU 12 2HD2 LEU 12 -3.927 0.548 -0.106
115 H ALA 13 H ALA 13 -4.506 -0.211 -3.687
116 HA ALA 13 HA ALA 13 -6.046 -1.982 -5.284
117 HB1 ALA 13 1HB ALA 13 -5.054 -0.927 -7.174
118 HB2 ALA 13 2HB ALA 13 -3.641 -0.432 -6.243
119 HB3 ALA 13 3HB ALA 13 -5.198 0.345 -5.960
120 H ARG 14 H ARG 14 -3.128 -2.073 -3.523
121 HA ARG 14 HA ARG 14 -2.286 -4.536 -4.962
122 HB2 ARG 14 2HB ARG 14 -0.065 -4.100 -4.034
123 HB3 ARG 14 1HB ARG 14 -0.629 -2.711 -4.964
124 HG2 ARG 14 2HG ARG 14 -0.484 -1.398 -3.185
125 HG3 ARG 14 1HG ARG 14 -1.515 -2.482 -2.269
126 HD2 ARG 14 2HD ARG 14 0.736 -2.040 -1.297
127 HD3 ARG 14 1HD ARG 14 0.270 -3.728 -1.484
128 HE ARG 14 HE ARG 14 2.124 -3.986 -2.778
129 HH11 ARG 14 1HH1 ARG 14 1.129 -0.640 -3.042
130 HH12 ARG 14 2HH1 ARG 14 2.411 -0.220 -4.123
131 HH21 ARG 14 1HH2 ARG 14 3.811 -3.420 -4.188
132 HH22 ARG 14 2HH2 ARG 14 3.935 -1.793 -4.769
133 H PHE 15 H PHE 15 -3.525 -3.227 -2.011
134 HA PHE 15 HA PHE 15 -2.854 -5.766 -0.684
135 HB2 PHE 15 2HB PHE 15 -2.636 -4.689 1.417
136 HB3 PHE 15 1HB PHE 15 -1.678 -3.793 0.257
137 HD1 PHE 15 2HD PHE 15 -5.276 -3.610 1.308
138 HD2 PHE 15 1HD PHE 15 -1.547 -1.653 0.783
139 HE1 PHE 15 2HE PHE 15 -6.251 -1.557 2.075
140 HE2 PHE 15 1HE PHE 15 -2.501 0.403 1.563
141 HZ PHE 15 HZ PHE 15 -4.870 0.489 2.267
142 H GLN 16 H GLN 16 -5.350 -3.372 -1.129
143 HA GLN 16 HA GLN 16 -7.359 -4.222 0.495
144 HB2 GLN 16 2HB GLN 16 -8.735 -3.013 -0.869
145 HB3 GLN 16 1HB GLN 16 -7.197 -2.476 -1.503
146 HG2 GLN 16 2HG GLN 16 -8.214 -2.958 -3.452
147 HG3 GLN 16 1HG GLN 16 -7.529 -4.543 -3.105
148 HE21 GLN 16 1HE2 GLN 16 -10.431 -2.675 -2.257
149 HE22 GLN 16 2HE2 GLN 16 -11.547 -3.969 -2.512
150 H ARG 17 H ARG 17 -5.948 -5.851 -2.162
151 HA ARG 17 HA ARG 17 -7.706 -7.665 -3.096
152 HB2 ARG 17 2HB ARG 17 -5.550 -9.243 -2.918
153 HB3 ARG 17 1HB ARG 17 -5.679 -7.936 -4.087
154 HG2 ARG 17 2HG ARG 17 -4.202 -6.576 -2.938
155 HG3 ARG 17 1HG ARG 17 -4.512 -7.371 -1.395
156 HD2 ARG 17 2HD ARG 17 -2.300 -7.919 -2.222
157 HD3 ARG 17 1HD ARG 17 -3.325 -9.350 -2.168
158 HE ARG 17 HE ARG 17 -3.284 -8.034 -4.728
159 HH11 ARG 17 1HH1 ARG 17 -1.725 -10.407 -2.696
160 HH12 ARG 17 2HH1 ARG 17 -1.021 -11.266 -4.025
161 HH21 ARG 17 1HH2 ARG 17 -2.358 -9.162 -6.477
162 HH22 ARG 17 2HH2 ARG 17 -1.380 -10.559 -6.170
163 H SER 18 H SER 18 -6.325 -7.584 0.074
164 HA SER 18 HA SER 18 -6.709 -10.200 0.921
165 HB2 SER 18 2HB SER 18 -7.243 -7.864 2.721
166 HB3 SER 18 1HB SER 18 -6.516 -9.422 3.116
167 HG SER 18 HG SER 18 -4.756 -8.742 1.678
168 H SER 19 H SER 19 -9.068 -7.951 0.004
169 HA SER 19 HA SER 19 -11.210 -8.468 1.678
170 HB2 SER 19 2HB SER 19 -10.799 -7.210 -0.826
171 HB3 SER 19 1HB SER 19 -12.152 -8.324 -1.029
172 HG SER 19 HG SER 19 -12.985 -6.413 -0.281
173 H ALA 20 H ALA 20 -9.553 -10.676 -0.237
174 HA ALA 20 HA ALA 20 -11.604 -12.386 -1.111
175 HB1 ALA 20 1HB ALA 20 -8.703 -12.837 -0.504
176 HB2 ALA 20 2HB ALA 20 -9.489 -12.705 -2.077
177 HB3 ALA 20 3HB ALA 20 -9.753 -14.133 -1.077
178 H LYS 21 H LYS 21 -9.932 -12.104 1.919
179 HA LYS 21 HA LYS 21 -11.780 -14.044 3.092
180 HB2 LYS 21 2HB LYS 21 -8.998 -13.643 4.120
181 HB3 LYS 21 1HB LYS 21 -10.126 -14.941 4.482
182 HG2 LYS 21 2HG LYS 21 -9.749 -16.004 2.440
183 HG3 LYS 21 1HG LYS 21 -9.038 -14.560 1.718
184 HD2 LYS 21 2HD LYS 21 -7.003 -14.908 2.688
185 HD3 LYS 21 1HD LYS 21 -7.694 -15.705 4.103
186 HE2 LYS 21 2HE LYS 21 -6.372 -17.198 2.581
187 HE3 LYS 21 1HE LYS 21 -8.021 -17.732 2.907
188 HZ1 LYS 21 3HZ LYS 21 -8.716 -16.925 0.783
189 HZ2 LYS 21 1HZ LYS 21 -7.360 -17.909 0.547
190 HZ3 LYS 21 2HZ LYS 21 -7.207 -16.225 0.481
191 H LYS 22 H LYS 22 -12.807 -11.936 3.223
192 HA LYS 22 HA LYS 22 -11.984 -10.412 5.600
193 HB2 LYS 22 2HB LYS 22 -12.198 -9.193 3.396
194 HB3 LYS 22 1HB LYS 22 -13.927 -9.506 3.476
195 HG2 LYS 22 2HG LYS 22 -13.341 -7.258 4.255
196 HG3 LYS 22 1HG LYS 22 -14.102 -8.228 5.518
197 HD2 LYS 22 2HD LYS 22 -12.308 -8.070 6.836
198 HD3 LYS 22 1HD LYS 22 -11.219 -8.528 5.526
199 HE2 LYS 22 2HE LYS 22 -10.710 -6.296 6.409
200 HE3 LYS 22 1HE LYS 22 -11.192 -6.242 4.714
201 HZ1 LYS 22 3HZ LYS 22 -12.347 -4.505 5.717
202 HZ2 LYS 22 1HZ LYS 22 -12.741 -5.413 7.090
203 HZ3 LYS 22 2HZ LYS 22 -13.501 -5.737 5.614
204 H LYS 23 H LYS 23 -14.024 -12.837 4.796
205 HA LYS 23 HA LYS 23 -15.872 -12.121 6.947
206 HB2 LYS 23 2HB LYS 23 -16.736 -13.347 4.321
207 HB3 LYS 23 1HB LYS 23 -17.777 -12.988 5.691
208 HG2 LYS 23 2HG LYS 23 -18.162 -10.988 4.833
209 HG3 LYS 23 1HG LYS 23 -16.456 -10.590 5.048
210 HD2 LYS 23 2HD LYS 23 -16.809 -10.217 2.778
211 HD3 LYS 23 1HD LYS 23 -16.115 -11.839 2.816
212 HE2 LYS 23 2HE LYS 23 -18.744 -12.420 3.040
213 HE3 LYS 23 1HE LYS 23 -18.824 -10.947 2.074
214 HZ1 LYS 23 3HZ LYS 23 -17.795 -13.572 1.372
215 HZ2 LYS 23 1HZ LYS 23 -16.898 -12.256 0.800
216 HZ3 LYS 23 2HZ LYS 23 -18.535 -12.404 0.400
217 H ARG 24 H ARG 24 -13.883 -13.604 7.607
218 HA ARG 24 HA ARG 24 -14.985 -16.069 8.403
219 HB2 ARG 24 2HB ARG 24 -13.573 -17.626 7.160
220 HB3 ARG 24 1HB ARG 24 -14.587 -16.695 6.064
221 HG2 ARG 24 2HG ARG 24 -12.832 -15.792 5.026
222 HG3 ARG 24 1HG ARG 24 -11.983 -15.473 6.541
223 HD2 ARG 24 2HD ARG 24 -10.756 -17.048 5.112
224 HD3 ARG 24 1HD ARG 24 -11.242 -17.781 6.639
225 HE ARG 24 HE ARG 24 -13.197 -18.303 4.682
226 HH11 ARG 24 1HH1 ARG 24 -9.934 -19.195 5.542
227 HH12 ARG 24 2HH1 ARG 24 -10.037 -20.763 4.814
228 HH21 ARG 24 1HH2 ARG 24 -13.335 -20.363 3.724
229 HH22 ARG 24 2HH2 ARG 24 -11.969 -21.427 3.780
Start of MODEL 14
1 H2 PRO 1 1HT PRO 1 -2.503 15.125 -3.194
2 H3 PRO 1 2HT PRO 1 -1.147 16.056 -3.257
3 HA PRO 1 HA PRO 1 -0.671 15.581 -5.236
4 HB2 PRO 1 2HB PRO 1 -1.727 12.983 -5.752
5 HB3 PRO 1 1HB PRO 1 -0.032 13.467 -5.628
6 HG2 PRO 1 2HG PRO 1 -1.813 12.290 -3.573
7 HG3 PRO 1 1HG PRO 1 -0.053 12.167 -3.744
8 HD2 PRO 1 2HD PRO 1 -1.141 13.676 -1.827
9 HD3 PRO 1 1HD PRO 1 0.315 14.213 -2.687
10 H LEU 2 H LEU 2 -3.705 13.936 -4.294
11 HA LEU 2 HA LEU 2 -5.056 15.435 -6.433
12 HB2 LEU 2 2HB LEU 2 -6.347 13.015 -5.283
13 HB3 LEU 2 1HB LEU 2 -6.351 13.609 -6.930
14 HG LEU 2 HG LEU 2 -3.857 12.842 -6.924
15 HD11 LEU 2 1HD1 LEU 2 -4.042 10.607 -5.415
16 HD12 LEU 2 2HD1 LEU 2 -4.920 11.755 -4.406
17 HD13 LEU 2 3HD1 LEU 2 -3.260 12.095 -4.886
18 HD21 LEU 2 3HD2 LEU 2 -5.350 11.812 -8.404
19 HD22 LEU 2 1HD2 LEU 2 -6.299 11.106 -7.096
20 HD23 LEU 2 2HD2 LEU 2 -4.689 10.481 -7.454
21 H SER 3 H SER 3 -7.297 13.885 -4.451
22 HA SER 3 HA SER 3 -7.492 16.136 -2.598
23 HB2 SER 3 2HB SER 3 -9.777 15.024 -4.250
24 HB3 SER 3 1HB SER 3 -9.948 16.205 -2.952
25 HG SER 3 HG SER 3 -9.722 16.909 -5.303
26 H ARG 4 H ARG 4 -7.569 12.843 -3.283
27 HA ARG 4 HA ARG 4 -8.765 12.189 -0.681
28 HB2 ARG 4 2HB ARG 4 -9.561 10.198 -1.624
29 HB3 ARG 4 1HB ARG 4 -9.834 11.405 -2.871
30 HG2 ARG 4 2HG ARG 4 -7.336 10.464 -3.494
31 HG3 ARG 4 1HG ARG 4 -8.155 9.014 -2.918
32 HD2 ARG 4 2HD ARG 4 -8.952 10.857 -5.158
33 HD3 ARG 4 1HD ARG 4 -8.553 9.143 -5.248
34 HE ARG 4 HE ARG 4 -11.095 10.275 -4.660
35 HH11 ARG 4 1HH1 ARG 4 -9.037 7.552 -3.933
36 HH12 ARG 4 2HH1 ARG 4 -10.356 6.497 -3.553
37 HH21 ARG 4 1HH2 ARG 4 -12.831 8.890 -4.161
38 HH22 ARG 4 2HH2 ARG 4 -12.510 7.256 -3.683
39 H GLY 5 H GLY 5 -6.158 11.675 -2.888
40 HA2 GLY 5 2HA GLY 5 -3.940 11.115 -2.356
41 HA3 GLY 5 1HA GLY 5 -4.480 10.621 -0.752
42 H LYS 6 H LYS 6 -5.829 9.690 -3.880
43 HA LYS 6 HA LYS 6 -6.117 7.007 -3.225
44 HB2 LYS 6 2HB LYS 6 -6.099 6.667 -5.765
45 HB3 LYS 6 1HB LYS 6 -7.391 7.576 -5.001
46 HG2 LYS 6 2HG LYS 6 -6.642 9.602 -5.839
47 HG3 LYS 6 1HG LYS 6 -5.002 8.999 -6.095
48 HD2 LYS 6 2HD LYS 6 -5.819 9.071 -8.254
49 HD3 LYS 6 1HD LYS 6 -6.154 7.400 -7.801
50 HE2 LYS 6 2HE LYS 6 -8.420 7.765 -7.610
51 HE3 LYS 6 1HE LYS 6 -8.222 9.488 -7.292
52 HZ1 LYS 6 3HZ LYS 6 -7.679 9.848 -9.591
53 HZ2 LYS 6 1HZ LYS 6 -9.151 9.020 -9.500
54 HZ3 LYS 6 2HZ LYS 6 -7.738 8.190 -9.919
55 H LYS 7 H LYS 7 -3.286 8.673 -3.918
56 HA LYS 7 HA LYS 7 -1.681 6.794 -5.187
57 HB2 LYS 7 2HB LYS 7 0.169 7.910 -4.212
58 HB3 LYS 7 1HB LYS 7 -1.065 9.139 -4.424
59 HG2 LYS 7 2HG LYS 7 -1.094 7.824 -1.805
60 HG3 LYS 7 1HG LYS 7 0.366 8.748 -2.157
61 HD2 LYS 7 2HD LYS 7 -0.849 10.741 -2.465
62 HD3 LYS 7 1HD LYS 7 -2.387 9.883 -2.569
63 HE2 LYS 7 2HE LYS 7 -2.666 9.958 -0.360
64 HE3 LYS 7 1HE LYS 7 -1.045 9.329 -0.071
65 HZ1 LYS 7 3HZ LYS 7 -1.994 12.076 -0.085
66 HZ2 LYS 7 1HZ LYS 7 -0.473 11.820 -0.781
67 HZ3 LYS 7 2HZ LYS 7 -0.758 11.362 0.822
68 H TRP 8 H TRP 8 -3.193 6.850 -2.215
69 HA TRP 8 HA TRP 8 -1.663 4.848 -0.838
70 HB2 TRP 8 2HB TRP 8 -3.083 5.128 0.960
71 HB3 TRP 8 1HB TRP 8 -3.281 6.686 0.166
72 HD1 TRP 8 HD TRP 8 -5.427 6.513 -1.756
73 HE1 TRP 8 1HE TRP 8 -7.819 5.752 -1.289
74 HE3 TRP 8 3HE TRP 8 -4.511 3.665 2.346
75 HZ2 TRP 8 2HZ TRP 8 -9.155 4.146 0.628
76 HZ3 TRP 8 3HZ TRP 8 -6.393 2.558 3.461
77 HH2 TRP 8 HH TRP 8 -8.658 2.773 2.602
78 H THR 9 H THR 9 -4.628 5.056 -2.638
79 HA THR 9 HA THR 9 -5.672 2.536 -2.297
80 HB THR 9 HB THR 9 -6.184 4.734 -3.966
81 HG1 THR 9 1HG THR 9 -8.093 3.971 -3.628
82 HG21 THR 9 3HG2 THR 9 -4.981 3.665 -5.787
83 HG22 THR 9 1HG2 THR 9 -6.713 3.733 -6.111
84 HG23 THR 9 2HG2 THR 9 -5.973 2.218 -5.595
85 H GLU 10 H GLU 10 -3.005 3.680 -4.063
86 HA GLU 10 HA GLU 10 -2.433 1.610 -5.808
87 HB2 GLU 10 2HB GLU 10 -0.678 3.003 -6.114
88 HB3 GLU 10 1HB GLU 10 -1.223 3.925 -4.729
89 HG2 GLU 10 2HG GLU 10 1.023 3.413 -4.304
90 HG3 GLU 10 1HG GLU 10 0.082 2.333 -3.285
91 H LYS 11 H LYS 11 -1.953 1.973 -2.391
92 HA LYS 11 HA LYS 11 -0.490 -0.431 -1.986
93 HB2 LYS 11 2HB LYS 11 -2.055 1.198 -0.036
94 HB3 LYS 11 1HB LYS 11 -0.773 0.050 0.339
95 HG2 LYS 11 2HG LYS 11 0.875 1.426 -0.544
96 HG3 LYS 11 1HG LYS 11 -0.299 2.416 -1.409
97 HD2 LYS 11 2HD LYS 11 0.820 2.913 1.122
98 HD3 LYS 11 1HD LYS 11 -0.469 3.810 0.320
99 HE2 LYS 11 2HE LYS 11 -2.151 2.475 1.363
100 HE3 LYS 11 1HE LYS 11 -0.950 1.339 1.979
101 HZ1 LYS 11 3HZ LYS 11 -0.422 4.009 2.844
102 HZ2 LYS 11 1HZ LYS 11 -0.618 2.601 3.763
103 HZ3 LYS 11 2HZ LYS 11 -1.970 3.508 3.306
104 H LEU 12 H LEU 12 -3.804 0.499 -2.035
105 HA LEU 12 HA LEU 12 -4.550 -2.066 -0.907
106 HB2 LEU 12 2HB LEU 12 -6.863 -0.734 -1.701
107 HB3 LEU 12 1HB LEU 12 -6.331 -1.183 -0.111
108 HG LEU 12 HG LEU 12 -6.457 1.427 -1.382
109 HD11 LEU 12 1HD1 LEU 12 -7.579 1.667 0.468
110 HD12 LEU 12 2HD1 LEU 12 -6.100 1.431 1.394
111 HD13 LEU 12 3HD1 LEU 12 -7.114 0.053 0.988
112 HD21 LEU 12 3HD2 LEU 12 -4.183 1.644 -1.404
113 HD22 LEU 12 1HD2 LEU 12 -3.936 0.476 -0.124
114 HD23 LEU 12 2HD2 LEU 12 -4.496 2.091 0.264
115 H ALA 13 H ALA 13 -4.335 -0.237 -3.739
116 HA ALA 13 HA ALA 13 -5.844 -1.914 -5.447
117 HB1 ALA 13 1HB ALA 13 -4.652 -0.924 -7.259
118 HB2 ALA 13 2HB ALA 13 -3.292 -0.499 -6.220
119 HB3 ALA 13 3HB ALA 13 -4.827 0.353 -6.055
120 H ARG 14 H ARG 14 -3.043 -2.185 -3.522
121 HA ARG 14 HA ARG 14 -2.262 -4.696 -4.920
122 HB2 ARG 14 2HB ARG 14 -0.087 -4.385 -3.823
123 HB3 ARG 14 1HB ARG 14 -0.505 -2.982 -4.811
124 HG2 ARG 14 2HG ARG 14 -0.479 -1.639 -3.043
125 HG3 ARG 14 1HG ARG 14 -1.559 -2.706 -2.164
126 HD2 ARG 14 2HD ARG 14 0.668 -2.262 -1.115
127 HD3 ARG 14 1HD ARG 14 0.167 -3.945 -1.270
128 HE ARG 14 HE ARG 14 2.080 -4.274 -2.457
129 HH11 ARG 14 1HH1 ARG 14 1.129 -0.939 -2.934
130 HH12 ARG 14 2HH1 ARG 14 2.404 -0.608 -4.052
131 HH21 ARG 14 1HH2 ARG 14 3.774 -3.820 -3.902
132 HH22 ARG 14 2HH2 ARG 14 3.916 -2.235 -4.587
133 H PHE 15 H PHE 15 -3.612 -3.337 -2.052
134 HA PHE 15 HA PHE 15 -3.173 -5.900 -0.682
135 HB2 PHE 15 2HB PHE 15 -2.983 -4.829 1.427
136 HB3 PHE 15 1HB PHE 15 -1.923 -3.991 0.317
137 HD1 PHE 15 2HD PHE 15 -5.546 -3.579 1.205
138 HD2 PHE 15 1HD PHE 15 -1.682 -1.847 0.891
139 HE1 PHE 15 2HE PHE 15 -6.435 -1.482 1.930
140 HE2 PHE 15 1HE PHE 15 -2.555 0.251 1.630
141 HZ PHE 15 HZ PHE 15 -4.949 0.479 2.207
142 H GLN 16 H GLN 16 -5.464 -3.358 -1.209
143 HA GLN 16 HA GLN 16 -7.634 -3.285 -0.109
144 HB2 GLN 16 2HB GLN 16 -7.188 -4.176 -2.865
145 HB3 GLN 16 1HB GLN 16 -8.797 -4.518 -2.257
146 HG2 GLN 16 2HG GLN 16 -8.363 -1.922 -1.469
147 HG3 GLN 16 1HG GLN 16 -7.597 -2.006 -3.055
148 HE21 GLN 16 1HE2 GLN 16 -9.113 -0.720 -4.054
149 HE22 GLN 16 2HE2 GLN 16 -10.735 -1.236 -4.351
150 H ARG 17 H ARG 17 -6.688 -5.119 1.381
151 HA ARG 17 HA ARG 17 -8.248 -7.579 1.049
152 HB2 ARG 17 2HB ARG 17 -6.891 -8.263 3.145
153 HB3 ARG 17 1HB ARG 17 -6.090 -8.216 1.583
154 HG2 ARG 17 2HG ARG 17 -5.561 -5.726 2.413
155 HG3 ARG 17 1HG ARG 17 -5.698 -6.532 3.973
156 HD2 ARG 17 2HD ARG 17 -3.394 -6.501 3.112
157 HD3 ARG 17 1HD ARG 17 -4.017 -8.134 3.338
158 HE ARG 17 HE ARG 17 -4.512 -7.436 0.700
159 HH11 ARG 17 1HH1 ARG 17 -1.742 -7.910 2.768
160 HH12 ARG 17 2HH1 ARG 17 -0.705 -8.410 1.474
161 HH21 ARG 17 1HH2 ARG 17 -3.151 -8.094 -1.003
162 HH22 ARG 17 2HH2 ARG 17 -1.505 -8.515 -0.667
163 H SER 18 H SER 18 -7.392 -5.529 3.791
164 HA SER 18 HA SER 18 -9.985 -6.110 5.011
165 HB2 SER 18 2HB SER 18 -7.516 -4.781 6.119
166 HB3 SER 18 1HB SER 18 -9.006 -5.045 7.023
167 HG SER 18 HG SER 18 -8.699 -7.319 6.587
168 H SER 19 H SER 19 -9.177 -4.086 2.793
169 HA SER 19 HA SER 19 -9.483 -1.480 3.615
170 HB2 SER 19 2HB SER 19 -9.291 -2.707 1.196
171 HB3 SER 19 1HB SER 19 -10.964 -2.151 1.153
172 HG SER 19 HG SER 19 -8.829 -0.449 1.889
173 H ALA 20 H ALA 20 -11.773 -3.968 3.877
174 HA ALA 20 HA ALA 20 -14.146 -2.398 3.682
175 HB1 ALA 20 1HB ALA 20 -15.125 -4.422 4.943
176 HB2 ALA 20 2HB ALA 20 -13.532 -5.141 4.704
177 HB3 ALA 20 3HB ALA 20 -14.503 -4.664 3.311
178 H LYS 21 H LYS 21 -11.995 -3.306 6.230
179 HA LYS 21 HA LYS 21 -12.680 -3.183 8.589
180 HB2 LYS 21 2HB LYS 21 -11.303 -1.109 9.157
181 HB3 LYS 21 1HB LYS 21 -10.509 -2.461 8.366
182 HG2 LYS 21 2HG LYS 21 -9.719 -0.977 6.908
183 HG3 LYS 21 1HG LYS 21 -11.357 -0.893 6.259
184 HD2 LYS 21 2HD LYS 21 -11.852 1.057 7.423
185 HD3 LYS 21 1HD LYS 21 -10.565 0.796 8.600
186 HE2 LYS 21 2HE LYS 21 -8.937 1.120 6.689
187 HE3 LYS 21 1HE LYS 21 -10.311 1.682 5.737
188 HZ1 LYS 21 3HZ LYS 21 -9.689 3.662 6.568
189 HZ2 LYS 21 1HZ LYS 21 -8.898 2.995 7.907
190 HZ3 LYS 21 2HZ LYS 21 -10.579 3.174 7.921
191 H LYS 22 H LYS 22 -14.870 -2.875 8.192
192 HA LYS 22 HA LYS 22 -15.825 -0.143 8.779
193 HB2 LYS 22 2HB LYS 22 -18.007 -0.850 7.923
194 HB3 LYS 22 1HB LYS 22 -16.746 -1.080 6.719
195 HG2 LYS 22 2HG LYS 22 -17.718 -3.088 6.474
196 HG3 LYS 22 1HG LYS 22 -16.738 -3.508 7.880
197 HD2 LYS 22 2HD LYS 22 -18.596 -3.070 9.359
198 HD3 LYS 22 1HD LYS 22 -19.577 -2.495 8.009
199 HE2 LYS 22 2HE LYS 22 -19.122 -4.849 7.013
200 HE3 LYS 22 1HE LYS 22 -18.713 -5.283 8.673
201 HZ1 LYS 22 3HZ LYS 22 -20.976 -4.217 9.216
202 HZ2 LYS 22 1HZ LYS 22 -20.952 -5.768 8.539
203 HZ3 LYS 22 2HZ LYS 22 -21.308 -4.428 7.571
204 H LYS 23 H LYS 23 -15.005 -2.794 10.426
205 HA LYS 23 HA LYS 23 -17.002 -2.274 12.499
206 HB2 LYS 23 2HB LYS 23 -17.028 -4.734 13.018
207 HB3 LYS 23 1HB LYS 23 -17.806 -4.294 11.504
208 HG2 LYS 23 2HG LYS 23 -15.146 -4.817 10.839
209 HG3 LYS 23 1HG LYS 23 -15.605 -6.081 11.981
210 HD2 LYS 23 2HD LYS 23 -17.800 -5.951 10.352
211 HD3 LYS 23 1HD LYS 23 -16.483 -5.622 9.225
212 HE2 LYS 23 2HE LYS 23 -16.305 -7.854 9.104
213 HE3 LYS 23 1HE LYS 23 -15.469 -7.706 10.651
214 HZ1 LYS 23 3HZ LYS 23 -17.899 -7.845 11.565
215 HZ2 LYS 23 1HZ LYS 23 -17.047 -9.250 11.161
216 HZ3 LYS 23 2HZ LYS 23 -18.197 -8.621 10.092
217 H ARG 24 H ARG 24 -14.777 -1.018 12.728
218 HA ARG 24 HA ARG 24 -12.970 -0.623 14.054
219 HB2 ARG 24 2HB ARG 24 -14.134 -2.974 15.550
220 HB3 ARG 24 1HB ARG 24 -12.769 -2.032 16.135
221 HG2 ARG 24 2HG ARG 24 -14.071 -0.361 16.838
222 HG3 ARG 24 1HG ARG 24 -15.079 -0.408 15.390
223 HD2 ARG 24 2HD ARG 24 -15.298 -2.567 17.449
224 HD3 ARG 24 1HD ARG 24 -16.108 -1.021 17.699
225 HE ARG 24 HE ARG 24 -16.951 -3.106 15.988
226 HH11 ARG 24 1HH1 ARG 24 -16.759 0.374 16.158
227 HH12 ARG 24 2HH1 ARG 24 -18.110 0.625 15.103
228 HH21 ARG 24 1HH2 ARG 24 -18.728 -2.779 14.601
229 HH22 ARG 24 2HH2 ARG 24 -19.229 -1.165 14.220
Start of MODEL 15
1 H2 PRO 1 1HT PRO 1 -2.489 14.950 -3.599
2 H3 PRO 1 2HT PRO 1 -1.199 15.965 -3.540
3 HA PRO 1 HA PRO 1 -0.595 15.623 -5.496
4 HB2 PRO 1 2HB PRO 1 -1.243 12.953 -6.181
5 HB3 PRO 1 1HB PRO 1 0.354 13.623 -5.838
6 HG2 PRO 1 2HG PRO 1 -1.502 12.163 -4.046
7 HG3 PRO 1 1HG PRO 1 0.267 12.218 -4.033
8 HD2 PRO 1 2HD PRO 1 -1.165 13.523 -2.190
9 HD3 PRO 1 1HD PRO 1 0.323 14.224 -2.855
10 H LEU 2 H LEU 2 -3.569 13.838 -4.642
11 HA LEU 2 HA LEU 2 -4.822 14.996 -7.032
12 HB2 LEU 2 2HB LEU 2 -6.476 12.960 -5.848
13 HB3 LEU 2 1HB LEU 2 -5.788 13.023 -7.449
14 HG LEU 2 HG LEU 2 -5.198 10.962 -6.348
15 HD11 LEU 2 1HD1 LEU 2 -3.452 11.263 -7.701
16 HD12 LEU 2 2HD1 LEU 2 -2.567 11.582 -6.209
17 HD13 LEU 2 3HD1 LEU 2 -3.191 12.924 -7.170
18 HD21 LEU 2 3HD2 LEU 2 -4.991 12.553 -4.058
19 HD22 LEU 2 1HD2 LEU 2 -3.365 11.951 -4.372
20 HD23 LEU 2 2HD2 LEU 2 -4.701 10.821 -4.196
21 H SER 3 H SER 3 -7.161 13.773 -4.946
22 HA SER 3 HA SER 3 -7.420 16.285 -3.475
23 HB2 SER 3 2HB SER 3 -9.783 14.984 -4.833
24 HB3 SER 3 1HB SER 3 -9.710 16.571 -4.069
25 HG SER 3 HG SER 3 -8.960 15.793 -6.595
26 H ARG 4 H ARG 4 -7.558 12.916 -3.656
27 HA ARG 4 HA ARG 4 -8.908 12.731 -1.050
28 HB2 ARG 4 2HB ARG 4 -9.795 10.664 -1.723
29 HB3 ARG 4 1HB ARG 4 -9.981 11.716 -3.118
30 HG2 ARG 4 2HG ARG 4 -7.572 10.600 -3.650
31 HG3 ARG 4 1HG ARG 4 -8.364 9.275 -2.797
32 HD2 ARG 4 2HD ARG 4 -9.517 10.786 -5.141
33 HD3 ARG 4 1HD ARG 4 -8.713 9.223 -5.243
34 HE ARG 4 HE ARG 4 -11.132 9.588 -3.604
35 HH11 ARG 4 1HH1 ARG 4 -9.435 7.939 -6.182
36 HH12 ARG 4 2HH1 ARG 4 -10.648 6.716 -6.355
37 HH21 ARG 4 1HH2 ARG 4 -12.716 7.982 -3.843
38 HH22 ARG 4 2HH2 ARG 4 -12.506 6.741 -5.033
39 H GLY 5 H GLY 5 -6.325 11.594 -3.053
40 HA2 GLY 5 2HA GLY 5 -4.142 11.081 -2.218
41 HA3 GLY 5 1HA GLY 5 -4.882 10.657 -0.675
42 H LYS 6 H LYS 6 -6.065 9.710 -3.851
43 HA LYS 6 HA LYS 6 -6.393 7.026 -3.128
44 HB2 LYS 6 2HB LYS 6 -6.459 6.664 -5.664
45 HB3 LYS 6 1HB LYS 6 -7.722 7.590 -4.871
46 HG2 LYS 6 2HG LYS 6 -6.827 9.647 -5.655
47 HG3 LYS 6 1HG LYS 6 -5.343 8.863 -6.199
48 HD2 LYS 6 2HD LYS 6 -7.608 7.604 -7.429
49 HD3 LYS 6 1HD LYS 6 -7.692 9.348 -7.678
50 HE2 LYS 6 2HE LYS 6 -5.004 8.418 -8.087
51 HE3 LYS 6 1HE LYS 6 -6.125 7.483 -9.075
52 HZ1 LYS 6 3HZ LYS 6 -5.343 9.434 -10.251
53 HZ2 LYS 6 1HZ LYS 6 -5.918 10.446 -9.022
54 HZ3 LYS 6 2HZ LYS 6 -7.005 9.554 -9.962
55 H LYS 7 H LYS 7 -3.590 8.693 -3.919
56 HA LYS 7 HA LYS 7 -2.026 6.792 -5.220
57 HB2 LYS 7 2HB LYS 7 -0.340 7.839 -3.254
58 HB3 LYS 7 1HB LYS 7 -0.524 8.428 -4.895
59 HG2 LYS 7 2HG LYS 7 -0.760 10.306 -3.533
60 HG3 LYS 7 1HG LYS 7 -2.406 9.879 -3.993
61 HD2 LYS 7 2HD LYS 7 -2.329 10.404 -1.633
62 HD3 LYS 7 1HD LYS 7 -2.652 8.684 -1.850
63 HE2 LYS 7 2HE LYS 7 -0.688 8.057 -0.945
64 HE3 LYS 7 1HE LYS 7 0.185 9.425 -1.635
65 HZ1 LYS 7 3HZ LYS 7 -0.886 10.837 0.076
66 HZ2 LYS 7 1HZ LYS 7 0.142 9.659 0.724
67 HZ3 LYS 7 2HZ LYS 7 -1.534 9.443 0.786
68 H TRP 8 H TRP 8 -3.460 6.883 -2.209
69 HA TRP 8 HA TRP 8 -1.873 4.904 -0.859
70 HB2 TRP 8 2HB TRP 8 -3.270 5.153 0.964
71 HB3 TRP 8 1HB TRP 8 -3.495 6.712 0.181
72 HD1 TRP 8 HD TRP 8 -5.686 6.548 -1.684
73 HE1 TRP 8 1HE TRP 8 -8.062 5.765 -1.168
74 HE3 TRP 8 3HE TRP 8 -4.649 3.637 2.351
75 HZ2 TRP 8 2HZ TRP 8 -9.340 4.109 0.743
76 HZ3 TRP 8 3HZ TRP 8 -6.497 2.480 3.475
77 HH2 TRP 8 HH TRP 8 -8.788 2.697 2.676
78 H THR 9 H THR 9 -4.888 5.042 -2.594
79 HA THR 9 HA THR 9 -5.835 2.490 -2.214
80 HB THR 9 HB THR 9 -6.440 4.653 -3.900
81 HG1 THR 9 1HG THR 9 -7.927 3.421 -2.687
82 HG21 THR 9 3HG2 THR 9 -6.252 2.111 -5.487
83 HG22 THR 9 1HG2 THR 9 -5.258 3.548 -5.724
84 HG23 THR 9 2HG2 THR 9 -6.997 3.621 -6.011
85 H GLU 10 H GLU 10 -3.255 3.721 -4.042
86 HA GLU 10 HA GLU 10 -2.644 1.667 -5.789
87 HB2 GLU 10 2HB GLU 10 -0.974 3.135 -6.165
88 HB3 GLU 10 1HB GLU 10 -1.518 4.044 -4.774
89 HG2 GLU 10 2HG GLU 10 0.706 3.704 -4.304
90 HG3 GLU 10 1HG GLU 10 -0.070 2.411 -3.402
91 H LYS 11 H LYS 11 -2.052 2.063 -2.387
92 HA LYS 11 HA LYS 11 -0.458 -0.272 -2.050
93 HB2 LYS 11 2HB LYS 11 -2.017 1.239 -0.006
94 HB3 LYS 11 1HB LYS 11 -0.627 0.194 0.274
95 HG2 LYS 11 2HG LYS 11 0.849 1.705 -0.685
96 HG3 LYS 11 1HG LYS 11 -0.452 2.615 -1.455
97 HD2 LYS 11 2HD LYS 11 0.776 3.135 1.029
98 HD3 LYS 11 1HD LYS 11 -0.604 3.964 0.312
99 HE2 LYS 11 2HE LYS 11 -2.147 2.490 1.394
100 HE3 LYS 11 1HE LYS 11 -0.842 1.434 1.937
101 HZ1 LYS 11 3HZ LYS 11 -1.935 3.327 3.456
102 HZ2 LYS 11 1HZ LYS 11 -0.654 4.207 2.787
103 HZ3 LYS 11 2HZ LYS 11 -0.344 2.786 3.651
104 H LEU 12 H LEU 12 -3.812 0.528 -1.872
105 HA LEU 12 HA LEU 12 -4.358 -2.098 -0.753
106 HB2 LEU 12 2HB LEU 12 -6.793 -0.939 -1.254
107 HB3 LEU 12 1HB LEU 12 -5.986 -1.126 0.280
108 HG LEU 12 HG LEU 12 -5.938 1.251 -1.511
109 HD11 LEU 12 1HD1 LEU 12 -6.706 1.062 1.339
110 HD12 LEU 12 2HD1 LEU 12 -7.834 0.613 0.058
111 HD13 LEU 12 3HD1 LEU 12 -7.175 2.244 0.121
112 HD21 LEU 12 3HD2 LEU 12 -4.636 1.563 1.054
113 HD22 LEU 12 1HD2 LEU 12 -4.061 1.969 -0.551
114 HD23 LEU 12 2HD2 LEU 12 -3.831 0.356 0.068
115 H ALA 13 H ALA 13 -4.441 -0.211 -3.570
116 HA ALA 13 HA ALA 13 -5.998 -1.913 -5.207
117 HB1 ALA 13 1HB ALA 13 -4.801 -0.928 -7.091
118 HB2 ALA 13 2HB ALA 13 -3.568 -0.289 -6.004
119 HB3 ALA 13 3HB ALA 13 -5.214 0.341 -5.938
120 H ARG 14 H ARG 14 -3.052 -2.107 -3.486
121 HA ARG 14 HA ARG 14 -2.281 -4.567 -4.974
122 HB2 ARG 14 2HB ARG 14 -0.066 -4.229 -3.972
123 HB3 ARG 14 1HB ARG 14 -0.565 -2.803 -4.884
124 HG2 ARG 14 2HG ARG 14 -0.477 -1.528 -3.067
125 HG3 ARG 14 1HG ARG 14 -1.495 -2.649 -2.182
126 HD2 ARG 14 2HD ARG 14 0.771 -2.194 -1.223
127 HD3 ARG 14 1HD ARG 14 0.288 -3.879 -1.408
128 HE ARG 14 HE ARG 14 2.127 -4.153 -2.720
129 HH11 ARG 14 1HH1 ARG 14 1.166 -0.795 -2.980
130 HH12 ARG 14 2HH1 ARG 14 2.458 -0.384 -4.054
131 HH21 ARG 14 1HH2 ARG 14 3.824 -3.600 -4.122
132 HH22 ARG 14 2HH2 ARG 14 3.968 -1.973 -4.696
133 H PHE 15 H PHE 15 -3.513 -3.301 -2.008
134 HA PHE 15 HA PHE 15 -3.036 -5.909 -0.738
135 HB2 PHE 15 2HB PHE 15 -2.665 -4.916 1.372
136 HB3 PHE 15 1HB PHE 15 -1.715 -3.997 0.226
137 HD1 PHE 15 2HD PHE 15 -5.241 -3.747 1.460
138 HD2 PHE 15 1HD PHE 15 -1.493 -1.849 0.845
139 HE1 PHE 15 2HE PHE 15 -6.138 -1.713 2.345
140 HE2 PHE 15 1HE PHE 15 -2.371 0.188 1.746
141 HZ PHE 15 HZ PHE 15 -4.718 0.298 2.549
142 H GLN 16 H GLN 16 -5.267 -3.245 -0.876
143 HA GLN 16 HA GLN 16 -7.343 -3.233 0.384
144 HB2 GLN 16 2HB GLN 16 -8.828 -3.197 -1.469
145 HB3 GLN 16 1HB GLN 16 -7.278 -2.609 -2.034
146 HG2 GLN 16 2HG GLN 16 -7.218 -4.146 -3.614
147 HG3 GLN 16 1HG GLN 16 -7.396 -5.431 -2.421
148 HE21 GLN 16 1HE2 GLN 16 -9.226 -3.077 -4.311
149 HE22 GLN 16 2HE2 GLN 16 -10.652 -4.040 -4.463
150 H ARG 17 H ARG 17 -6.454 -5.299 1.520
151 HA ARG 17 HA ARG 17 -7.819 -7.745 0.867
152 HB2 ARG 17 2HB ARG 17 -7.034 -8.399 3.232
153 HB3 ARG 17 1HB ARG 17 -5.833 -8.161 1.975
154 HG2 ARG 17 2HG ARG 17 -4.937 -7.115 3.852
155 HG3 ARG 17 1HG ARG 17 -5.590 -5.790 2.893
156 HD2 ARG 17 2HD ARG 17 -6.095 -5.628 5.322
157 HD3 ARG 17 1HD ARG 17 -7.524 -5.645 4.295
158 HE ARG 17 HE ARG 17 -6.867 -8.261 5.184
159 HH11 ARG 17 1HH1 ARG 17 -8.319 -5.266 6.229
160 HH12 ARG 17 2HH1 ARG 17 -9.320 -6.023 7.422
161 HH21 ARG 17 1HH2 ARG 17 -8.185 -9.259 6.750
162 HH22 ARG 17 2HH2 ARG 17 -9.244 -8.289 7.718
163 H SER 18 H SER 18 -8.662 -4.925 2.552
164 HA SER 18 HA SER 18 -10.643 -6.157 4.257
165 HB2 SER 18 2HB SER 18 -10.203 -3.249 3.588
166 HB3 SER 18 1HB SER 18 -11.234 -3.874 4.873
167 HG SER 18 HG SER 18 -8.595 -3.396 4.918
168 H SER 19 H SER 19 -10.599 -5.967 1.094
169 HA SER 19 HA SER 19 -12.798 -4.573 0.191
170 HB2 SER 19 2HB SER 19 -11.078 -6.615 -0.814
171 HB3 SER 19 1HB SER 19 -12.740 -7.053 -1.207
172 HG SER 19 HG SER 19 -12.895 -4.780 -1.967
173 H ALA 20 H ALA 20 -12.803 -7.145 2.385
174 HA ALA 20 HA ALA 20 -15.270 -8.368 1.719
175 HB1 ALA 20 1HB ALA 20 -14.903 -9.707 3.499
176 HB2 ALA 20 2HB ALA 20 -14.455 -8.361 4.549
177 HB3 ALA 20 3HB ALA 20 -13.283 -9.015 3.404
178 H LYS 21 H LYS 21 -14.394 -5.655 3.714
179 HA LYS 21 HA LYS 21 -17.230 -5.004 4.017
180 HB2 LYS 21 2HB LYS 21 -15.119 -4.379 6.061
181 HB3 LYS 21 1HB LYS 21 -16.854 -4.125 6.199
182 HG2 LYS 21 2HG LYS 21 -16.489 -6.864 5.676
183 HG3 LYS 21 1HG LYS 21 -15.300 -6.421 6.902
184 HD2 LYS 21 2HD LYS 21 -17.066 -6.866 8.269
185 HD3 LYS 21 1HD LYS 21 -17.407 -5.168 7.931
186 HE2 LYS 21 2HE LYS 21 -18.527 -7.357 6.215
187 HE3 LYS 21 1HE LYS 21 -19.324 -6.870 7.710
188 HZ1 LYS 21 3HZ LYS 21 -18.609 -4.890 5.637
189 HZ2 LYS 21 1HZ LYS 21 -19.751 -4.754 6.880
190 HZ3 LYS 21 2HZ LYS 21 -20.057 -5.760 5.554
191 H LYS 22 H LYS 22 -16.494 -4.015 2.013
192 HA LYS 22 HA LYS 22 -14.790 -1.766 1.951
193 HB2 LYS 22 2HB LYS 22 -15.464 -3.059 -0.059
194 HB3 LYS 22 1HB LYS 22 -17.087 -2.399 0.092
195 HG2 LYS 22 2HG LYS 22 -16.430 -0.749 -1.235
196 HG3 LYS 22 1HG LYS 22 -15.439 -0.168 0.104
197 HD2 LYS 22 2HD LYS 22 -13.516 -1.255 -0.710
198 HD3 LYS 22 1HD LYS 22 -14.454 -2.260 -1.816
199 HE2 LYS 22 2HE LYS 22 -15.110 0.265 -2.633
200 HE3 LYS 22 1HE LYS 22 -13.426 0.460 -2.148
201 HZ1 LYS 22 3HZ LYS 22 -13.264 -0.169 -4.347
202 HZ2 LYS 22 1HZ LYS 22 -14.556 -1.258 -4.257
203 HZ3 LYS 22 2HZ LYS 22 -13.069 -1.651 -3.554
204 H LYS 23 H LYS 23 -17.964 -2.178 3.119
205 HA LYS 23 HA LYS 23 -18.176 0.705 3.560
206 HB2 LYS 23 2HB LYS 23 -20.555 -0.977 2.765
207 HB3 LYS 23 1HB LYS 23 -20.488 0.770 2.946
208 HG2 LYS 23 2HG LYS 23 -19.080 -0.844 0.830
209 HG3 LYS 23 1HG LYS 23 -20.532 0.134 0.604
210 HD2 LYS 23 2HD LYS 23 -18.404 1.665 1.830
211 HD3 LYS 23 1HD LYS 23 -17.889 0.958 0.298
212 HE2 LYS 23 2HE LYS 23 -19.645 2.014 -0.887
213 HE3 LYS 23 1HE LYS 23 -20.475 2.464 0.602
214 HZ1 LYS 23 3HZ LYS 23 -19.001 4.159 1.017
215 HZ2 LYS 23 1HZ LYS 23 -19.086 4.214 -0.673
216 HZ3 LYS 23 2HZ LYS 23 -17.764 3.480 0.085
217 H ARG 24 H ARG 24 -17.187 -0.666 5.490
218 HA ARG 24 HA ARG 24 -18.757 -2.172 7.194
219 HB2 ARG 24 2HB ARG 24 -17.208 -1.598 8.954
220 HB3 ARG 24 1HB ARG 24 -16.319 -1.812 7.453
221 HG2 ARG 24 2HG ARG 24 -17.192 0.917 8.301
222 HG3 ARG 24 1HG ARG 24 -15.753 0.177 9.005
223 HD2 ARG 24 2HD ARG 24 -15.080 -0.267 6.543
224 HD3 ARG 24 1HD ARG 24 -16.278 0.970 6.166
225 HE ARG 24 HE ARG 24 -14.850 2.563 6.989
226 HH11 ARG 24 1HH1 ARG 24 -13.727 -0.591 7.976
227 HH12 ARG 24 2HH1 ARG 24 -12.226 0.001 8.601
228 HH21 ARG 24 1HH2 ARG 24 -12.875 3.344 7.812
229 HH22 ARG 24 2HH2 ARG 24 -11.741 2.236 8.509
Start of MODEL 16
1 H2 PRO 1 1HT PRO 1 -2.845 15.593 -3.122
2 H3 PRO 1 2HT PRO 1 -1.200 15.649 -3.135
3 HA PRO 1 HA PRO 1 -1.319 15.800 -5.174
4 HB2 PRO 1 2HB PRO 1 -2.290 13.198 -5.901
5 HB3 PRO 1 1HB PRO 1 -0.626 13.792 -5.900
6 HG2 PRO 1 2HG PRO 1 -1.608 11.899 -4.158
7 HG3 PRO 1 1HG PRO 1 -0.187 12.911 -3.852
8 HD2 PRO 1 2HD PRO 1 -2.993 13.224 -2.853
9 HD3 PRO 1 1HD PRO 1 -1.459 13.498 -2.006
10 H LEU 2 H LEU 2 -4.230 14.074 -4.091
11 HA LEU 2 HA LEU 2 -5.766 15.565 -6.107
12 HB2 LEU 2 2HB LEU 2 -6.880 13.070 -4.919
13 HB3 LEU 2 1HB LEU 2 -7.067 13.718 -6.535
14 HG LEU 2 HG LEU 2 -4.580 13.045 -6.831
15 HD11 LEU 2 1HD1 LEU 2 -3.736 12.356 -4.844
16 HD12 LEU 2 2HD1 LEU 2 -4.407 10.813 -5.368
17 HD13 LEU 2 3HD1 LEU 2 -5.303 11.824 -4.236
18 HD21 LEU 2 3HD2 LEU 2 -6.966 11.238 -6.757
19 HD22 LEU 2 1HD2 LEU 2 -5.384 10.625 -7.240
20 HD23 LEU 2 2HD2 LEU 2 -6.138 11.935 -8.149
21 H SER 3 H SER 3 -7.820 13.912 -4.014
22 HA SER 3 HA SER 3 -7.928 16.102 -2.083
23 HB2 SER 3 2HB SER 3 -9.662 16.754 -3.555
24 HB3 SER 3 1HB SER 3 -10.181 15.089 -3.814
25 HG SER 3 HG SER 3 -11.554 16.297 -2.382
26 H ARG 4 H ARG 4 -7.913 12.841 -2.836
27 HA ARG 4 HA ARG 4 -8.931 12.077 -0.188
28 HB2 ARG 4 2HB ARG 4 -9.740 10.091 -1.129
29 HB3 ARG 4 1HB ARG 4 -10.131 11.320 -2.321
30 HG2 ARG 4 2HG ARG 4 -7.645 10.447 -3.121
31 HG3 ARG 4 1HG ARG 4 -8.423 8.970 -2.559
32 HD2 ARG 4 2HD ARG 4 -9.353 10.892 -4.678
33 HD3 ARG 4 1HD ARG 4 -8.947 9.187 -4.858
34 HE ARG 4 HE ARG 4 -11.006 9.112 -3.129
35 HH11 ARG 4 1HH1 ARG 4 -10.584 10.695 -6.211
36 HH12 ARG 4 2HH1 ARG 4 -12.265 10.622 -6.620
37 HH21 ARG 4 1HH2 ARG 4 -13.217 9.017 -3.664
38 HH22 ARG 4 2HH2 ARG 4 -13.761 9.671 -5.173
39 H GLY 5 H GLY 5 -6.470 11.702 -2.584
40 HA2 GLY 5 2HA GLY 5 -4.212 11.177 -2.239
41 HA3 GLY 5 1HA GLY 5 -4.612 10.655 -0.603
42 H LYS 6 H LYS 6 -6.156 9.725 -3.644
43 HA LYS 6 HA LYS 6 -6.357 7.032 -3.003
44 HB2 LYS 6 2HB LYS 6 -6.500 6.703 -5.528
45 HB3 LYS 6 1HB LYS 6 -7.739 7.631 -4.697
46 HG2 LYS 6 2HG LYS 6 -7.242 9.516 -5.808
47 HG3 LYS 6 1HG LYS 6 -5.504 9.240 -5.679
48 HD2 LYS 6 2HD LYS 6 -7.174 7.595 -7.543
49 HD3 LYS 6 1HD LYS 6 -6.615 9.201 -8.018
50 HE2 LYS 6 2HE LYS 6 -4.454 8.546 -8.190
51 HE3 LYS 6 1HE LYS 6 -4.584 7.397 -6.859
52 HZ1 LYS 6 3HZ LYS 6 -5.864 6.900 -9.479
53 HZ2 LYS 6 1HZ LYS 6 -5.514 5.788 -8.252
54 HZ3 LYS 6 2HZ LYS 6 -4.262 6.454 -9.172
55 H LYS 7 H LYS 7 -3.601 8.755 -3.841
56 HA LYS 7 HA LYS 7 -2.037 6.920 -5.218
57 HB2 LYS 7 2HB LYS 7 -0.143 8.034 -4.278
58 HB3 LYS 7 1HB LYS 7 -1.388 9.249 -4.517
59 HG2 LYS 7 2HG LYS 7 -1.418 8.029 -1.863
60 HG3 LYS 7 1HG LYS 7 0.066 8.900 -2.241
61 HD2 LYS 7 2HD LYS 7 -1.051 10.921 -2.533
62 HD3 LYS 7 1HD LYS 7 -2.613 10.132 -2.768
63 HE2 LYS 7 2HE LYS 7 -2.873 9.705 -0.492
64 HE3 LYS 7 1HE LYS 7 -1.154 9.911 -0.161
65 HZ1 LYS 7 3HZ LYS 7 -1.349 12.249 -0.457
66 HZ2 LYS 7 1HZ LYS 7 -2.580 11.775 0.604
67 HZ3 LYS 7 2HZ LYS 7 -2.942 12.120 -1.012
68 H TRP 8 H TRP 8 -3.375 6.918 -2.163
69 HA TRP 8 HA TRP 8 -1.730 4.933 -0.898
70 HB2 TRP 8 2HB TRP 8 -3.051 5.166 0.980
71 HB3 TRP 8 1HB TRP 8 -3.324 6.728 0.218
72 HD1 TRP 8 HD TRP 8 -5.573 6.543 -1.575
73 HE1 TRP 8 1HE TRP 8 -7.920 5.729 -0.984
74 HE3 TRP 8 3HE TRP 8 -4.370 3.642 2.416
75 HZ2 TRP 8 2HZ TRP 8 -9.112 4.066 0.977
76 HZ3 TRP 8 3HZ TRP 8 -6.162 2.483 3.617
77 HH2 TRP 8 HH TRP 8 -8.478 2.668 2.893
78 H THR 9 H THR 9 -4.795 5.104 -2.524
79 HA THR 9 HA THR 9 -5.777 2.565 -2.153
80 HB THR 9 HB THR 9 -6.417 4.769 -3.768
81 HG1 THR 9 1HG THR 9 -7.898 3.547 -2.575
82 HG21 THR 9 3HG2 THR 9 -5.281 3.699 -5.652
83 HG22 THR 9 1HG2 THR 9 -7.025 3.814 -5.895
84 HG23 THR 9 2HG2 THR 9 -6.297 2.274 -5.437
85 H GLU 10 H GLU 10 -3.231 3.771 -4.051
86 HA GLU 10 HA GLU 10 -2.725 1.731 -5.852
87 HB2 GLU 10 2HB GLU 10 -1.014 3.159 -6.238
88 HB3 GLU 10 1HB GLU 10 -1.490 4.050 -4.808
89 HG2 GLU 10 2HG GLU 10 0.784 3.565 -4.525
90 HG3 GLU 10 1HG GLU 10 -0.080 2.456 -3.471
91 H LYS 11 H LYS 11 -2.067 2.052 -2.462
92 HA LYS 11 HA LYS 11 -0.546 -0.336 -2.175
93 HB2 LYS 11 2HB LYS 11 -2.026 1.241 -0.117
94 HB3 LYS 11 1HB LYS 11 -0.711 0.106 0.169
95 HG2 LYS 11 2HG LYS 11 0.870 1.518 -0.770
96 HG3 LYS 11 1HG LYS 11 -0.358 2.499 -1.566
97 HD2 LYS 11 2HD LYS 11 0.875 2.993 0.909
98 HD3 LYS 11 1HD LYS 11 -0.469 3.872 0.184
99 HE2 LYS 11 2HE LYS 11 -2.071 2.508 1.303
100 HE3 LYS 11 1HE LYS 11 -0.827 1.376 1.834
101 HZ1 LYS 11 3HZ LYS 11 -0.936 2.573 3.716
102 HZ2 LYS 11 1HZ LYS 11 -1.605 3.932 2.961
103 HZ3 LYS 11 2HZ LYS 11 0.064 3.661 2.894
104 H LEU 12 H LEU 12 -3.869 0.541 -2.053
105 HA LEU 12 HA LEU 12 -4.528 -2.045 -0.912
106 HB2 LEU 12 2HB LEU 12 -6.893 -0.722 -1.573
107 HB3 LEU 12 1HB LEU 12 -6.273 -1.188 -0.017
108 HG LEU 12 HG LEU 12 -6.471 1.438 -1.251
109 HD11 LEU 12 1HD1 LEU 12 -6.006 1.425 1.500
110 HD12 LEU 12 2HD1 LEU 12 -7.004 0.022 1.135
111 HD13 LEU 12 3HD1 LEU 12 -7.528 1.631 0.643
112 HD21 LEU 12 3HD2 LEU 12 -4.205 1.678 -1.360
113 HD22 LEU 12 1HD2 LEU 12 -3.895 0.468 -0.132
114 HD23 LEU 12 2HD2 LEU 12 -4.439 2.067 0.336
115 H ALA 13 H ALA 13 -4.458 -0.185 -3.732
116 HA ALA 13 HA ALA 13 -6.032 -1.859 -5.385
117 HB1 ALA 13 1HB ALA 13 -4.772 -0.916 -7.256
118 HB2 ALA 13 2HB ALA 13 -3.558 -0.285 -6.143
119 HB3 ALA 13 3HB ALA 13 -5.196 0.370 -6.125
120 H ARG 14 H ARG 14 -3.141 -2.110 -3.596
121 HA ARG 14 HA ARG 14 -2.403 -4.609 -5.039
122 HB2 ARG 14 2HB ARG 14 -0.181 -4.280 -4.037
123 HB3 ARG 14 1HB ARG 14 -0.655 -2.883 -5.009
124 HG2 ARG 14 2HG ARG 14 -0.584 -1.535 -3.246
125 HG3 ARG 14 1HG ARG 14 -1.585 -2.626 -2.308
126 HD2 ARG 14 2HD ARG 14 0.688 -2.121 -1.389
127 HD3 ARG 14 1HD ARG 14 0.217 -3.816 -1.509
128 HE ARG 14 HE ARG 14 2.067 -4.109 -2.804
129 HH11 ARG 14 1HH1 ARG 14 1.018 -0.798 -3.232
130 HH12 ARG 14 2HH1 ARG 14 2.222 -0.442 -4.420
131 HH21 ARG 14 1HH2 ARG 14 3.666 -3.623 -4.342
132 HH22 ARG 14 2HH2 ARG 14 3.736 -2.038 -5.037
133 H PHE 15 H PHE 15 -3.604 -3.258 -2.093
134 HA PHE 15 HA PHE 15 -3.102 -5.834 -0.760
135 HB2 PHE 15 2HB PHE 15 -2.760 -4.779 1.322
136 HB3 PHE 15 1HB PHE 15 -1.804 -3.896 0.151
137 HD1 PHE 15 2HD PHE 15 -5.383 -3.610 1.239
138 HD2 PHE 15 1HD PHE 15 -1.584 -1.778 0.756
139 HE1 PHE 15 2HE PHE 15 -6.286 -1.540 2.042
140 HE2 PHE 15 1HE PHE 15 -2.468 0.296 1.570
141 HZ PHE 15 HZ PHE 15 -4.834 0.455 2.272
142 H GLN 16 H GLN 16 -5.453 -3.355 -1.342
143 HA GLN 16 HA GLN 16 -7.497 -3.830 0.340
144 HB2 GLN 16 2HB GLN 16 -8.863 -2.859 -1.234
145 HB3 GLN 16 1HB GLN 16 -7.292 -2.409 -1.855
146 HG2 GLN 16 2HG GLN 16 -8.131 -3.165 -3.785
147 HG3 GLN 16 1HG GLN 16 -7.617 -4.726 -3.147
148 HE21 GLN 16 1HE2 GLN 16 -10.333 -2.595 -3.671
149 HE22 GLN 16 2HE2 GLN 16 -11.561 -3.800 -3.509
150 H ARG 17 H ARG 17 -6.227 -6.006 -1.965
151 HA ARG 17 HA ARG 17 -8.148 -7.814 -2.550
152 HB2 ARG 17 2HB ARG 17 -6.152 -9.511 -2.142
153 HB3 ARG 17 1HB ARG 17 -6.150 -8.383 -3.490
154 HG2 ARG 17 2HG ARG 17 -4.632 -6.921 -2.392
155 HG3 ARG 17 1HG ARG 17 -4.835 -7.756 -0.852
156 HD2 ARG 17 2HD ARG 17 -3.577 -8.907 -3.337
157 HD3 ARG 17 1HD ARG 17 -2.716 -8.339 -1.908
158 HE ARG 17 HE ARG 17 -4.400 -10.206 -0.913
159 HH11 ARG 17 1HH1 ARG 17 -2.087 -10.235 -3.525
160 HH12 ARG 17 2HH1 ARG 17 -1.728 -11.920 -3.355
161 HH21 ARG 17 1HH2 ARG 17 -3.929 -12.423 -0.687
162 HH22 ARG 17 2HH2 ARG 17 -2.774 -13.163 -1.744
163 H SER 18 H SER 18 -6.235 -7.704 0.385
164 HA SER 18 HA SER 18 -7.669 -9.915 1.576
165 HB2 SER 18 2HB SER 18 -5.695 -8.075 2.905
166 HB3 SER 18 1HB SER 18 -6.192 -9.681 3.435
167 HG SER 18 HG SER 18 -5.249 -10.475 1.455
168 H SER 19 H SER 19 -8.582 -6.868 1.085
169 HA SER 19 HA SER 19 -9.370 -5.814 3.536
170 HB2 SER 19 2HB SER 19 -9.551 -4.679 1.303
171 HB3 SER 19 1HB SER 19 -10.983 -5.659 0.987
172 HG SER 19 HG SER 19 -10.608 -3.616 2.889
173 H ALA 20 H ALA 20 -10.390 -8.665 2.052
174 HA ALA 20 HA ALA 20 -13.051 -8.951 2.641
175 HB1 ALA 20 1HB ALA 20 -12.030 -11.430 3.283
176 HB2 ALA 20 2HB ALA 20 -10.809 -10.742 2.211
177 HB3 ALA 20 3HB ALA 20 -12.482 -10.875 1.670
178 H LYS 21 H LYS 21 -10.357 -9.136 4.807
179 HA LYS 21 HA LYS 21 -10.577 -10.193 7.019
180 HB2 LYS 21 2HB LYS 21 -10.680 -7.907 8.308
181 HB3 LYS 21 1HB LYS 21 -9.286 -8.368 7.344
182 HG2 LYS 21 2HG LYS 21 -9.878 -6.916 5.595
183 HG3 LYS 21 1HG LYS 21 -11.514 -6.701 6.222
184 HD2 LYS 21 2HD LYS 21 -10.695 -4.793 7.082
185 HD3 LYS 21 1HD LYS 21 -10.017 -5.846 8.325
186 HE2 LYS 21 2HE LYS 21 -8.588 -5.043 5.795
187 HE3 LYS 21 1HE LYS 21 -8.377 -4.251 7.356
188 HZ1 LYS 21 3HZ LYS 21 -6.652 -5.759 7.301
189 HZ2 LYS 21 1HZ LYS 21 -7.563 -6.959 6.530
190 HZ3 LYS 21 2HZ LYS 21 -7.827 -6.618 8.166
191 H LYS 22 H LYS 22 -12.583 -11.135 6.642
192 HA LYS 22 HA LYS 22 -15.006 -9.872 7.565
193 HB2 LYS 22 2HB LYS 22 -14.742 -11.787 5.829
194 HB3 LYS 22 1HB LYS 22 -14.689 -12.838 7.238
195 HG2 LYS 22 2HG LYS 22 -16.879 -11.784 7.940
196 HG3 LYS 22 1HG LYS 22 -16.938 -11.071 6.327
197 HD2 LYS 22 2HD LYS 22 -18.210 -13.107 6.306
198 HD3 LYS 22 1HD LYS 22 -16.733 -13.361 5.375
199 HE2 LYS 22 2HE LYS 22 -16.008 -14.956 6.763
200 HE3 LYS 22 1HE LYS 22 -16.417 -14.012 8.194
201 HZ1 LYS 22 3HZ LYS 22 -17.644 -16.197 7.814
202 HZ2 LYS 22 1HZ LYS 22 -18.508 -15.373 6.614
203 HZ3 LYS 22 2HZ LYS 22 -18.573 -14.842 8.218
204 H LYS 23 H LYS 23 -12.380 -11.028 9.205
205 HA LYS 23 HA LYS 23 -13.981 -11.427 11.620
206 HB2 LYS 23 2HB LYS 23 -12.486 -13.264 12.330
207 HB3 LYS 23 1HB LYS 23 -13.399 -13.665 10.881
208 HG2 LYS 23 2HG LYS 23 -10.777 -12.467 10.362
209 HG3 LYS 23 1HG LYS 23 -10.725 -14.024 11.192
210 HD2 LYS 23 2HD LYS 23 -11.393 -15.146 9.366
211 HD3 LYS 23 1HD LYS 23 -12.616 -13.940 8.963
212 HE2 LYS 23 2HE LYS 23 -10.902 -12.508 7.990
213 HE3 LYS 23 1HE LYS 23 -9.659 -13.679 8.427
214 HZ1 LYS 23 3HZ LYS 23 -10.196 -15.014 6.718
215 HZ2 LYS 23 1HZ LYS 23 -10.854 -13.606 6.049
216 HZ3 LYS 23 2HZ LYS 23 -11.856 -14.715 6.840
217 H ARG 24 H ARG 24 -13.048 -9.067 11.258
218 HA ARG 24 HA ARG 24 -11.742 -7.404 12.100
219 HB2 ARG 24 2HB ARG 24 -11.310 -9.628 14.050
220 HB3 ARG 24 1HB ARG 24 -10.320 -8.181 14.179
221 HG2 ARG 24 2HG ARG 24 -11.951 -7.122 15.231
222 HG3 ARG 24 1HG ARG 24 -13.041 -7.397 13.872
223 HD2 ARG 24 2HD ARG 24 -14.233 -8.745 15.175
224 HD3 ARG 24 1HD ARG 24 -12.862 -9.851 15.215
225 HE ARG 24 HE ARG 24 -13.739 -8.092 17.316
226 HH11 ARG 24 1HH1 ARG 24 -11.038 -9.882 16.015
227 HH12 ARG 24 2HH1 ARG 24 -10.208 -9.973 17.533
228 HH21 ARG 24 1HH2 ARG 24 -12.648 -8.211 19.310
229 HH22 ARG 24 2HH2 ARG 24 -11.122 -9.025 19.404
Start of MODEL 17
1 H2 PRO 1 1HT PRO 1 -1.847 16.064 -3.210
2 H3 PRO 1 2HT PRO 1 -0.253 16.357 -3.494
3 HA PRO 1 HA PRO 1 -0.044 14.874 -4.940
4 HB2 PRO 1 2HB PRO 1 -1.825 12.763 -4.309
5 HB3 PRO 1 1HB PRO 1 -0.066 12.780 -4.128
6 HG2 PRO 1 2HG PRO 1 -2.181 13.344 -2.121
7 HG3 PRO 1 1HG PRO 1 -0.574 12.632 -1.895
8 HD2 PRO 1 2HD PRO 1 -1.068 15.137 -1.128
9 HD3 PRO 1 1HD PRO 1 0.482 14.714 -1.880
10 H LEU 2 H LEU 2 -3.368 14.014 -4.023
11 HA LEU 2 HA LEU 2 -4.299 15.350 -6.472
12 HB2 LEU 2 2HB LEU 2 -5.861 13.053 -5.424
13 HB3 LEU 2 1HB LEU 2 -5.553 13.536 -7.079
14 HG LEU 2 HG LEU 2 -3.115 12.689 -6.510
15 HD11 LEU 2 1HD1 LEU 2 -4.566 10.685 -4.889
16 HD12 LEU 2 2HD1 LEU 2 -4.166 12.212 -4.103
17 HD13 LEU 2 3HD1 LEU 2 -2.887 11.216 -4.800
18 HD21 LEU 2 3HD2 LEU 2 -4.621 11.829 -8.257
19 HD22 LEU 2 1HD2 LEU 2 -5.419 10.822 -7.051
20 HD23 LEU 2 2HD2 LEU 2 -3.725 10.541 -7.452
21 H SER 3 H SER 3 -6.875 13.982 -4.781
22 HA SER 3 HA SER 3 -7.261 16.341 -3.099
23 HB2 SER 3 2HB SER 3 -8.599 15.990 -5.517
24 HB3 SER 3 1HB SER 3 -9.750 15.417 -4.311
25 HG SER 3 HG SER 3 -8.495 17.954 -4.448
26 H ARG 4 H ARG 4 -7.412 13.011 -3.654
27 HA ARG 4 HA ARG 4 -8.950 12.555 -1.194
28 HB2 ARG 4 2HB ARG 4 -9.799 10.600 -2.149
29 HB3 ARG 4 1HB ARG 4 -9.820 11.759 -3.469
30 HG2 ARG 4 2HG ARG 4 -7.369 10.612 -3.789
31 HG3 ARG 4 1HG ARG 4 -8.319 9.252 -3.190
32 HD2 ARG 4 2HD ARG 4 -9.014 11.028 -5.529
33 HD3 ARG 4 1HD ARG 4 -8.373 9.391 -5.632
34 HE ARG 4 HE ARG 4 -10.601 9.047 -4.167
35 HH11 ARG 4 1HH1 ARG 4 -10.015 10.680 -7.196
36 HH12 ARG 4 2HH1 ARG 4 -11.611 10.394 -7.803
37 HH21 ARG 4 1HH2 ARG 4 -12.700 8.669 -4.963
38 HH22 ARG 4 2HH2 ARG 4 -13.136 9.252 -6.535
39 H GLY 5 H GLY 5 -6.169 11.743 -3.082
40 HA2 GLY 5 2HA GLY 5 -4.068 11.074 -2.268
41 HA3 GLY 5 1HA GLY 5 -4.823 10.679 -0.725
42 H LYS 6 H LYS 6 -5.907 9.700 -3.937
43 HA LYS 6 HA LYS 6 -6.272 7.023 -3.156
44 HB2 LYS 6 2HB LYS 6 -6.483 6.554 -5.587
45 HB3 LYS 6 1HB LYS 6 -7.587 7.747 -4.921
46 HG2 LYS 6 2HG LYS 6 -6.453 9.532 -5.955
47 HG3 LYS 6 1HG LYS 6 -5.041 8.532 -6.304
48 HD2 LYS 6 2HD LYS 6 -6.022 7.535 -8.114
49 HD3 LYS 6 1HD LYS 6 -7.651 7.702 -7.457
50 HE2 LYS 6 2HE LYS 6 -7.320 10.223 -7.827
51 HE3 LYS 6 1HE LYS 6 -5.963 9.754 -8.851
52 HZ1 LYS 6 3HZ LYS 6 -8.839 9.249 -9.244
53 HZ2 LYS 6 1HZ LYS 6 -7.695 8.236 -9.970
54 HZ3 LYS 6 2HZ LYS 6 -7.711 9.888 -10.329
55 H LYS 7 H LYS 7 -3.471 8.689 -3.956
56 HA LYS 7 HA LYS 7 -1.896 6.792 -5.226
57 HB2 LYS 7 2HB LYS 7 -0.130 8.113 -4.605
58 HB3 LYS 7 1HB LYS 7 -1.437 9.240 -4.287
59 HG2 LYS 7 2HG LYS 7 -0.062 7.511 -2.248
60 HG3 LYS 7 1HG LYS 7 0.187 9.241 -2.488
61 HD2 LYS 7 2HD LYS 7 -2.610 8.627 -2.161
62 HD3 LYS 7 1HD LYS 7 -1.671 8.020 -0.799
63 HE2 LYS 7 2HE LYS 7 -1.910 10.833 -1.815
64 HE3 LYS 7 1HE LYS 7 -2.303 10.207 -0.215
65 HZ1 LYS 7 3HZ LYS 7 -0.298 11.183 0.189
66 HZ2 LYS 7 1HZ LYS 7 0.312 10.874 -1.359
67 HZ3 LYS 7 2HZ LYS 7 0.233 9.629 -0.217
68 H TRP 8 H TRP 8 -3.356 6.907 -2.227
69 HA TRP 8 HA TRP 8 -1.762 4.954 -0.838
70 HB2 TRP 8 2HB TRP 8 -3.157 5.236 0.975
71 HB3 TRP 8 1HB TRP 8 -3.426 6.768 0.155
72 HD1 TRP 8 HD TRP 8 -5.604 6.498 -1.710
73 HE1 TRP 8 1HE TRP 8 -7.958 5.661 -1.180
74 HE3 TRP 8 3HE TRP 8 -4.497 3.706 2.386
75 HZ2 TRP 8 2HZ TRP 8 -9.192 4.020 0.773
76 HZ3 TRP 8 3HZ TRP 8 -6.313 2.542 3.548
77 HH2 TRP 8 HH TRP 8 -8.603 2.674 2.740
78 H THR 9 H THR 9 -4.753 5.078 -2.600
79 HA THR 9 HA THR 9 -5.731 2.533 -2.229
80 HB THR 9 HB THR 9 -6.328 4.712 -3.889
81 HG1 THR 9 1HG THR 9 -7.728 3.221 -2.680
82 HG21 THR 9 3HG2 THR 9 -5.118 3.701 -5.732
83 HG22 THR 9 1HG2 THR 9 -6.856 3.695 -6.031
84 HG23 THR 9 2HG2 THR 9 -6.042 2.213 -5.532
85 H GLU 10 H GLU 10 -3.116 3.745 -4.032
86 HA GLU 10 HA GLU 10 -2.511 1.686 -5.780
87 HB2 GLU 10 2HB GLU 10 -0.743 3.060 -6.105
88 HB3 GLU 10 1HB GLU 10 -1.375 4.049 -4.807
89 HG2 GLU 10 2HG GLU 10 0.860 3.664 -4.249
90 HG3 GLU 10 1HG GLU 10 -0.070 2.587 -3.218
91 H LYS 11 H LYS 11 -2.015 2.055 -2.367
92 HA LYS 11 HA LYS 11 -0.473 -0.304 -1.984
93 HB2 LYS 11 2HB LYS 11 -2.088 1.194 0.020
94 HB3 LYS 11 1HB LYS 11 -0.694 0.164 0.324
95 HG2 LYS 11 2HG LYS 11 0.784 1.712 -0.599
96 HG3 LYS 11 1HG LYS 11 -0.522 2.626 -1.350
97 HD2 LYS 11 2HD LYS 11 0.670 3.062 1.176
98 HD3 LYS 11 1HD LYS 11 -0.679 3.930 0.445
99 HE2 LYS 11 2HE LYS 11 -2.266 2.421 1.425
100 HE3 LYS 11 1HE LYS 11 -0.979 1.358 1.997
101 HZ1 LYS 11 3HZ LYS 11 -1.243 2.503 3.894
102 HZ2 LYS 11 1HZ LYS 11 -1.985 3.823 3.140
103 HZ3 LYS 11 2HZ LYS 11 -0.299 3.686 3.139
104 H LEU 12 H LEU 12 -3.810 0.542 -1.989
105 HA LEU 12 HA LEU 12 -4.481 -2.045 -0.872
106 HB2 LEU 12 2HB LEU 12 -6.832 -0.770 -1.616
107 HB3 LEU 12 1HB LEU 12 -6.238 -1.200 -0.041
108 HG LEU 12 HG LEU 12 -6.468 1.409 -1.296
109 HD11 LEU 12 1HD1 LEU 12 -7.550 1.610 0.586
110 HD12 LEU 12 2HD1 LEU 12 -6.050 1.378 1.480
111 HD13 LEU 12 3HD1 LEU 12 -7.052 -0.006 1.067
112 HD21 LEU 12 3HD2 LEU 12 -4.192 1.664 -1.362
113 HD22 LEU 12 1HD2 LEU 12 -3.906 0.511 -0.074
114 HD23 LEU 12 2HD2 LEU 12 -4.497 2.117 0.306
115 H ALA 13 H ALA 13 -4.362 -0.189 -3.687
116 HA ALA 13 HA ALA 13 -5.861 -1.905 -5.375
117 HB1 ALA 13 1HB ALA 13 -3.417 -0.272 -6.107
118 HB2 ALA 13 2HB ALA 13 -5.057 0.376 -6.059
119 HB3 ALA 13 3HB ALA 13 -4.642 -0.892 -7.214
120 H ARG 14 H ARG 14 -3.041 -2.091 -3.473
121 HA ARG 14 HA ARG 14 -2.172 -4.522 -4.940
122 HB2 ARG 14 2HB ARG 14 0.005 -4.161 -3.902
123 HB3 ARG 14 1HB ARG 14 -0.490 -2.729 -4.807
124 HG2 ARG 14 2HG ARG 14 -0.389 -1.486 -2.981
125 HG3 ARG 14 1HG ARG 14 -1.494 -2.569 -2.156
126 HD2 ARG 14 2HD ARG 14 0.720 -2.223 -1.064
127 HD3 ARG 14 1HD ARG 14 0.208 -3.890 -1.326
128 HE ARG 14 HE ARG 14 2.139 -4.162 -2.498
129 HH11 ARG 14 1HH1 ARG 14 1.204 -0.804 -2.820
130 HH12 ARG 14 2HH1 ARG 14 2.485 -0.425 -3.915
131 HH21 ARG 14 1HH2 ARG 14 3.846 -3.644 -3.904
132 HH22 ARG 14 2HH2 ARG 14 3.998 -2.030 -4.512
133 H PHE 15 H PHE 15 -3.601 -3.316 -2.016
134 HA PHE 15 HA PHE 15 -3.001 -5.921 -0.793
135 HB2 PHE 15 2HB PHE 15 -2.978 -4.949 1.396
136 HB3 PHE 15 1HB PHE 15 -1.844 -4.107 0.363
137 HD1 PHE 15 2HD PHE 15 -5.481 -3.691 1.180
138 HD2 PHE 15 1HD PHE 15 -1.613 -1.974 0.859
139 HE1 PHE 15 2HE PHE 15 -6.353 -1.579 1.926
140 HE2 PHE 15 1HE PHE 15 -2.466 0.133 1.612
141 HZ PHE 15 HZ PHE 15 -4.857 0.372 2.197
142 H GLN 16 H GLN 16 -5.443 -3.440 -1.164
143 HA GLN 16 HA GLN 16 -7.511 -4.742 0.211
144 HB2 GLN 16 2HB GLN 16 -7.307 -2.690 -1.918
145 HB3 GLN 16 1HB GLN 16 -8.872 -3.460 -1.688
146 HG2 GLN 16 2HG GLN 16 -7.427 -2.479 0.689
147 HG3 GLN 16 1HG GLN 16 -8.162 -1.292 -0.386
148 HE21 GLN 16 1HE2 GLN 16 -8.672 -3.358 2.197
149 HE22 GLN 16 2HE2 GLN 16 -10.398 -3.306 2.242
150 H ARG 17 H ARG 17 -5.872 -5.577 -2.607
151 HA ARG 17 HA ARG 17 -7.500 -6.724 -4.387
152 HB2 ARG 17 2HB ARG 17 -5.632 -8.667 -4.208
153 HB3 ARG 17 1HB ARG 17 -5.363 -7.118 -4.994
154 HG2 ARG 17 2HG ARG 17 -3.953 -6.386 -3.375
155 HG3 ARG 17 1HG ARG 17 -4.831 -7.204 -2.084
156 HD2 ARG 17 2HD ARG 17 -3.911 -9.340 -3.360
157 HD3 ARG 17 1HD ARG 17 -2.661 -8.191 -3.834
158 HE ARG 17 HE ARG 17 -2.798 -7.832 -1.174
159 HH11 ARG 17 1HH1 ARG 17 -2.502 -10.707 -3.131
160 HH12 ARG 17 2HH1 ARG 17 -1.618 -11.584 -1.928
161 HH21 ARG 17 1HH2 ARG 17 -1.634 -8.984 0.407
162 HH22 ARG 17 2HH2 ARG 17 -1.125 -10.607 0.080
163 H SER 18 H SER 18 -6.861 -7.880 -1.182
164 HA SER 18 HA SER 18 -7.786 -10.482 -1.303
165 HB2 SER 18 2HB SER 18 -8.336 -8.601 0.980
166 HB3 SER 18 1HB SER 18 -8.186 -10.356 1.049
167 HG SER 18 HG SER 18 -6.174 -8.420 0.642
168 H SER 19 H SER 19 -9.555 -7.598 -1.723
169 HA SER 19 HA SER 19 -12.098 -8.281 -0.825
170 HB2 SER 19 2HB SER 19 -10.942 -6.345 -2.680
171 HB3 SER 19 1HB SER 19 -12.564 -6.851 -3.153
172 HG SER 19 HG SER 19 -11.714 -5.529 -0.828
173 H ALA 20 H ALA 20 -10.253 -9.815 -3.160
174 HA ALA 20 HA ALA 20 -12.400 -10.660 -4.884
175 HB1 ALA 20 1HB ALA 20 -10.795 -11.520 -6.229
176 HB2 ALA 20 2HB ALA 20 -9.856 -12.154 -4.877
177 HB3 ALA 20 3HB ALA 20 -9.765 -10.441 -5.288
178 H LYS 21 H LYS 21 -10.680 -11.903 -2.147
179 HA LYS 21 HA LYS 21 -12.531 -14.165 -2.028
180 HB2 LYS 21 2HB LYS 21 -9.628 -14.189 -1.235
181 HB3 LYS 21 1HB LYS 21 -10.765 -15.512 -1.014
182 HG2 LYS 21 2HG LYS 21 -10.488 -16.230 -3.103
183 HG3 LYS 21 1HG LYS 21 -10.664 -14.605 -3.766
184 HD2 LYS 21 2HD LYS 21 -8.227 -14.355 -2.712
185 HD3 LYS 21 1HD LYS 21 -8.219 -16.096 -2.999
186 HE2 LYS 21 2HE LYS 21 -9.197 -15.268 -5.350
187 HE3 LYS 21 1HE LYS 21 -8.244 -13.849 -4.922
188 HZ1 LYS 21 3HZ LYS 21 -6.376 -15.495 -4.495
189 HZ2 LYS 21 1HZ LYS 21 -6.795 -15.212 -6.110
190 HZ3 LYS 21 2HZ LYS 21 -7.315 -16.624 -5.336
191 H LYS 22 H LYS 22 -13.534 -12.382 -0.879
192 HA LYS 22 HA LYS 22 -12.615 -11.548 1.679
193 HB2 LYS 22 2HB LYS 22 -14.879 -10.613 1.961
194 HB3 LYS 22 1HB LYS 22 -14.158 -10.163 0.423
195 HG2 LYS 22 2HG LYS 22 -15.778 -12.602 0.337
196 HG3 LYS 22 1HG LYS 22 -16.670 -11.132 0.738
197 HD2 LYS 22 2HD LYS 22 -14.773 -10.842 -1.483
198 HD3 LYS 22 1HD LYS 22 -16.096 -11.969 -1.792
199 HE2 LYS 22 2HE LYS 22 -17.239 -9.716 -0.552
200 HE3 LYS 22 1HE LYS 22 -16.120 -9.101 -1.766
201 HZ1 LYS 22 3HZ LYS 22 -18.609 -9.802 -2.319
202 HZ2 LYS 22 1HZ LYS 22 -17.851 -11.291 -2.592
203 HZ3 LYS 22 2HZ LYS 22 -17.355 -9.919 -3.449
204 H LYS 23 H LYS 23 -13.807 -14.499 0.669
205 HA LYS 23 HA LYS 23 -14.446 -15.231 3.429
206 HB2 LYS 23 2HB LYS 23 -16.040 -16.198 1.048
207 HB3 LYS 23 1HB LYS 23 -16.339 -16.570 2.740
208 HG2 LYS 23 2HG LYS 23 -17.692 -14.829 2.874
209 HG3 LYS 23 1HG LYS 23 -16.344 -13.757 2.492
210 HD2 LYS 23 2HD LYS 23 -18.009 -13.306 0.876
211 HD3 LYS 23 1HD LYS 23 -16.792 -14.284 0.055
212 HE2 LYS 23 2HE LYS 23 -18.158 -16.115 -0.085
213 HE3 LYS 23 1HE LYS 23 -19.072 -15.678 1.357
214 HZ1 LYS 23 3HZ LYS 23 -20.612 -15.108 -0.156
215 HZ2 LYS 23 1HZ LYS 23 -19.493 -14.904 -1.408
216 HZ3 LYS 23 2HZ LYS 23 -19.721 -13.675 -0.268
217 H ARG 24 H ARG 24 -12.039 -15.680 2.667
218 HA ARG 24 HA ARG 24 -10.409 -17.231 2.320
219 HB2 ARG 24 2HB ARG 24 -12.725 -18.832 3.296
220 HB3 ARG 24 1HB ARG 24 -11.338 -19.701 2.652
221 HG2 ARG 24 2HG ARG 24 -9.884 -18.711 4.278
222 HG3 ARG 24 1HG ARG 24 -11.172 -17.648 4.846
223 HD2 ARG 24 2HD ARG 24 -11.777 -20.532 4.885
224 HD3 ARG 24 1HD ARG 24 -10.526 -19.999 6.008
225 HE ARG 24 HE ARG 24 -12.527 -18.224 6.419
226 HH11 ARG 24 1HH1 ARG 24 -12.396 -21.711 6.387
227 HH12 ARG 24 2HH1 ARG 24 -13.675 -21.895 7.538
228 HH21 ARG 24 1HH2 ARG 24 -14.211 -18.464 7.934
229 HH22 ARG 24 2HH2 ARG 24 -14.707 -20.052 8.416
Start of MODEL 18
1 H2 PRO 1 1HT PRO 1 -2.322 15.063 -2.832
2 H3 PRO 1 2HT PRO 1 -0.891 15.870 -2.759
3 HA PRO 1 HA PRO 1 -0.259 15.317 -4.668
4 HB2 PRO 1 2HB PRO 1 -1.404 12.780 -5.252
5 HB3 PRO 1 1HB PRO 1 0.290 13.156 -4.918
6 HG2 PRO 1 2HG PRO 1 -1.817 12.155 -3.090
7 HG3 PRO 1 1HG PRO 1 -0.064 11.903 -3.037
8 HD2 PRO 1 2HD PRO 1 -1.270 13.533 -1.297
9 HD3 PRO 1 1HD PRO 1 0.322 13.935 -1.967
10 H LEU 2 H LEU 2 -3.472 13.907 -4.005
11 HA LEU 2 HA LEU 2 -4.501 15.406 -6.316
12 HB2 LEU 2 2HB LEU 2 -6.086 13.127 -5.280
13 HB3 LEU 2 1HB LEU 2 -5.801 13.636 -6.930
14 HG LEU 2 HG LEU 2 -3.408 12.689 -6.532
15 HD11 LEU 2 1HD1 LEU 2 -2.997 11.551 -4.666
16 HD12 LEU 2 2HD1 LEU 2 -4.498 10.638 -4.812
17 HD13 LEU 2 3HD1 LEU 2 -4.499 12.212 -4.020
18 HD21 LEU 2 3HD2 LEU 2 -4.659 11.631 -8.161
19 HD22 LEU 2 1HD2 LEU 2 -5.947 11.197 -7.037
20 HD23 LEU 2 2HD2 LEU 2 -4.410 10.334 -6.993
21 H SER 3 H SER 3 -7.016 14.041 -4.529
22 HA SER 3 HA SER 3 -7.268 16.365 -2.772
23 HB2 SER 3 2HB SER 3 -8.678 16.280 -5.085
24 HB3 SER 3 1HB SER 3 -9.774 15.391 -4.027
25 HG SER 3 HG SER 3 -9.951 17.798 -4.146
26 H ARG 4 H ARG 4 -7.569 13.054 -3.431
27 HA ARG 4 HA ARG 4 -8.947 12.544 -0.892
28 HB2 ARG 4 2HB ARG 4 -9.900 10.663 -1.855
29 HB3 ARG 4 1HB ARG 4 -9.882 11.800 -3.192
30 HG2 ARG 4 2HG ARG 4 -7.516 10.600 -3.595
31 HG3 ARG 4 1HG ARG 4 -8.395 9.271 -2.840
32 HD2 ARG 4 2HD ARG 4 -9.830 10.789 -4.931
33 HD3 ARG 4 1HD ARG 4 -8.462 9.823 -5.474
34 HE ARG 4 HE ARG 4 -9.634 7.899 -4.966
35 HH11 ARG 4 1HH1 ARG 4 -11.370 10.686 -3.774
36 HH12 ARG 4 2HH1 ARG 4 -12.818 9.796 -3.446
37 HH21 ARG 4 1HH2 ARG 4 -11.539 6.734 -4.537
38 HH22 ARG 4 2HH2 ARG 4 -12.915 7.555 -3.880
39 H GLY 5 H GLY 5 -6.265 11.785 -2.940
40 HA2 GLY 5 2HA GLY 5 -4.116 11.124 -2.245
41 HA3 GLY 5 1HA GLY 5 -4.790 10.675 -0.681
42 H LYS 6 H LYS 6 -6.057 9.764 -3.838
43 HA LYS 6 HA LYS 6 -6.383 7.078 -3.146
44 HB2 LYS 6 2HB LYS 6 -6.562 6.692 -5.618
45 HB3 LYS 6 1HB LYS 6 -7.707 7.799 -4.879
46 HG2 LYS 6 2HG LYS 6 -6.489 9.701 -5.727
47 HG3 LYS 6 1HG LYS 6 -5.225 8.644 -6.360
48 HD2 LYS 6 2HD LYS 6 -7.512 7.615 -7.489
49 HD3 LYS 6 1HD LYS 6 -7.821 9.351 -7.491
50 HE2 LYS 6 2HE LYS 6 -6.566 9.500 -9.320
51 HE3 LYS 6 1HE LYS 6 -5.172 9.071 -8.331
52 HZ1 LYS 6 3HZ LYS 6 -6.826 6.863 -9.253
53 HZ2 LYS 6 1HZ LYS 6 -5.143 6.975 -9.119
54 HZ3 LYS 6 2HZ LYS 6 -5.935 7.670 -10.442
55 H LYS 7 H LYS 7 -3.584 8.744 -3.948
56 HA LYS 7 HA LYS 7 -2.011 6.873 -5.262
57 HB2 LYS 7 2HB LYS 7 -0.140 7.856 -3.819
58 HB3 LYS 7 1HB LYS 7 -1.032 8.976 -4.838
59 HG2 LYS 7 2HG LYS 7 -1.003 10.174 -2.916
60 HG3 LYS 7 1HG LYS 7 -2.474 9.246 -2.633
61 HD2 LYS 7 2HD LYS 7 -0.766 7.525 -1.593
62 HD3 LYS 7 1HD LYS 7 0.213 8.979 -1.393
63 HE2 LYS 7 2HE LYS 7 -2.638 9.040 -0.540
64 HE3 LYS 7 1HE LYS 7 -1.470 8.194 0.475
65 HZ1 LYS 7 3HZ LYS 7 -1.351 11.043 -0.357
66 HZ2 LYS 7 1HZ LYS 7 -0.139 10.247 0.517
67 HZ3 LYS 7 2HZ LYS 7 -1.673 10.459 1.198
68 H TRP 8 H TRP 8 -3.436 6.930 -2.245
69 HA TRP 8 HA TRP 8 -1.834 4.963 -0.904
70 HB2 TRP 8 2HB TRP 8 -3.199 5.238 0.934
71 HB3 TRP 8 1HB TRP 8 -3.461 6.781 0.132
72 HD1 TRP 8 HD TRP 8 -5.663 6.536 -1.716
73 HE1 TRP 8 1HE TRP 8 -8.017 5.714 -1.169
74 HE3 TRP 8 3HE TRP 8 -4.541 3.751 2.379
75 HZ2 TRP 8 2HZ TRP 8 -9.248 4.087 0.801
76 HZ3 TRP 8 3HZ TRP 8 -6.355 2.602 3.559
77 HH2 TRP 8 HH TRP 8 -8.650 2.746 2.769
78 H THR 9 H THR 9 -4.869 5.101 -2.601
79 HA THR 9 HA THR 9 -5.833 2.553 -2.209
80 HB THR 9 HB THR 9 -6.470 4.732 -3.861
81 HG1 THR 9 1HG THR 9 -7.704 2.235 -3.392
82 HG21 THR 9 3HG2 THR 9 -5.293 3.613 -5.706
83 HG22 THR 9 1HG2 THR 9 -7.028 3.765 -5.984
84 HG23 THR 9 2HG2 THR 9 -6.347 2.214 -5.493
85 H GLU 10 H GLU 10 -3.281 3.765 -4.090
86 HA GLU 10 HA GLU 10 -2.727 1.700 -5.849
87 HB2 GLU 10 2HB GLU 10 -1.055 3.170 -6.248
88 HB3 GLU 10 1HB GLU 10 -1.536 4.057 -4.819
89 HG2 GLU 10 2HG GLU 10 0.698 3.657 -4.440
90 HG3 GLU 10 1HG GLU 10 -0.082 2.375 -3.526
91 H LYS 11 H LYS 11 -2.069 2.127 -2.470
92 HA LYS 11 HA LYS 11 -0.531 -0.227 -2.107
93 HB2 LYS 11 2HB LYS 11 -2.056 1.390 -0.118
94 HB3 LYS 11 1HB LYS 11 -0.747 0.265 0.229
95 HG2 LYS 11 2HG LYS 11 0.850 1.646 -0.737
96 HG3 LYS 11 1HG LYS 11 -0.369 2.614 -1.567
97 HD2 LYS 11 2HD LYS 11 0.841 3.163 0.904
98 HD3 LYS 11 1HD LYS 11 -0.512 4.015 0.162
99 HE2 LYS 11 2HE LYS 11 -2.101 2.645 1.297
100 HE3 LYS 11 1HE LYS 11 -0.843 1.541 1.853
101 HZ1 LYS 11 3HZ LYS 11 -0.522 4.319 2.647
102 HZ2 LYS 11 1HZ LYS 11 -0.274 2.901 3.538
103 HZ3 LYS 11 2HZ LYS 11 -1.838 3.514 3.340
104 H LEU 12 H LEU 12 -3.883 0.580 -1.991
105 HA LEU 12 HA LEU 12 -4.448 -2.007 -0.820
106 HB2 LEU 12 2HB LEU 12 -6.873 -0.825 -1.496
107 HB3 LEU 12 1HB LEU 12 -6.218 -1.199 0.070
108 HG LEU 12 HG LEU 12 -6.576 1.374 -1.241
109 HD11 LEU 12 1HD1 LEU 12 -7.597 1.595 0.673
110 HD12 LEU 12 2HD1 LEU 12 -6.050 1.465 1.508
111 HD13 LEU 12 3HD1 LEU 12 -7.006 0.022 1.197
112 HD21 LEU 12 3HD2 LEU 12 -4.576 2.203 0.264
113 HD22 LEU 12 1HD2 LEU 12 -4.316 1.710 -1.399
114 HD23 LEU 12 2HD2 LEU 12 -3.936 0.610 -0.093
115 H ALA 13 H ALA 13 -4.483 -0.187 -3.672
116 HA ALA 13 HA ALA 13 -5.962 -1.955 -5.304
117 HB1 ALA 13 1HB ALA 13 -5.168 0.317 -6.032
118 HB2 ALA 13 2HB ALA 13 -4.796 -0.968 -7.180
119 HB3 ALA 13 3HB ALA 13 -3.535 -0.343 -6.117
120 H ARG 14 H ARG 14 -3.069 -2.088 -3.499
121 HA ARG 14 HA ARG 14 -2.246 -4.568 -4.924
122 HB2 ARG 14 2HB ARG 14 -0.037 -4.172 -3.928
123 HB3 ARG 14 1HB ARG 14 -0.551 -2.787 -4.895
124 HG2 ARG 14 2HG ARG 14 -0.474 -1.444 -3.130
125 HG3 ARG 14 1HG ARG 14 -1.495 -2.533 -2.209
126 HD2 ARG 14 2HD ARG 14 0.751 -2.046 -1.237
127 HD3 ARG 14 1HD ARG 14 0.297 -3.742 -1.395
128 HE ARG 14 HE ARG 14 2.156 -4.010 -2.681
129 HH11 ARG 14 1HH1 ARG 14 1.143 -0.675 -3.001
130 HH12 ARG 14 2HH1 ARG 14 2.426 -0.262 -4.083
131 HH21 ARG 14 1HH2 ARG 14 3.845 -3.456 -4.096
132 HH22 ARG 14 2HH2 ARG 14 3.961 -1.838 -4.701
133 H PHE 15 H PHE 15 -3.518 -3.243 -2.002
134 HA PHE 15 HA PHE 15 -2.966 -5.801 -0.655
135 HB2 PHE 15 2HB PHE 15 -2.722 -4.721 1.451
136 HB3 PHE 15 1HB PHE 15 -1.716 -3.867 0.304
137 HD1 PHE 15 1HD PHE 15 -5.296 -3.540 1.390
138 HD2 PHE 15 2HD PHE 15 -1.519 -1.693 0.792
139 HE1 PHE 15 1HE PHE 15 -6.203 -1.457 2.136
140 HE2 PHE 15 2HE PHE 15 -2.416 0.395 1.532
141 HZ PHE 15 HZ PHE 15 -4.771 0.559 2.267
142 H GLN 16 H GLN 16 -5.277 -3.234 -0.940
143 HA GLN 16 HA GLN 16 -7.371 -3.229 0.291
144 HB2 GLN 16 2HB GLN 16 -8.843 -3.411 -1.596
145 HB3 GLN 16 1HB GLN 16 -7.332 -2.691 -2.119
146 HG2 GLN 16 2HG GLN 16 -6.648 -5.007 -2.872
147 HG3 GLN 16 1HG GLN 16 -8.329 -5.477 -2.621
148 HE21 GLN 16 1HE2 GLN 16 -8.724 -5.903 -4.764
149 HE22 GLN 16 2HE2 GLN 16 -8.816 -4.666 -5.967
150 H ARG 17 H ARG 17 -6.390 -5.198 1.528
151 HA ARG 17 HA ARG 17 -7.681 -7.725 1.024
152 HB2 ARG 17 2HB ARG 17 -6.771 -8.237 3.373
153 HB3 ARG 17 1HB ARG 17 -5.619 -7.972 2.073
154 HG2 ARG 17 2HG ARG 17 -6.358 -5.560 3.567
155 HG3 ARG 17 1HG ARG 17 -5.504 -6.786 4.505
156 HD2 ARG 17 2HD ARG 17 -4.166 -6.604 2.039
157 HD3 ARG 17 1HD ARG 17 -4.481 -4.948 2.553
158 HE ARG 17 HE ARG 17 -2.982 -5.221 4.264
159 HH11 ARG 17 1HH1 ARG 17 -3.761 -8.347 2.920
160 HH12 ARG 17 2HH1 ARG 17 -2.530 -9.177 3.812
161 HH21 ARG 17 1HH2 ARG 17 -1.362 -6.311 5.437
162 HH22 ARG 17 2HH2 ARG 17 -1.169 -8.020 5.242
163 H SER 18 H SER 18 -8.542 -4.850 2.624
164 HA SER 18 HA SER 18 -10.348 -6.003 4.527
165 HB2 SER 18 2HB SER 18 -10.286 -3.179 3.476
166 HB3 SER 18 1HB SER 18 -11.064 -3.742 4.955
167 HG SER 18 HG SER 18 -9.115 -2.914 5.568
168 H SER 19 H SER 19 -10.513 -6.084 1.307
169 HA SER 19 HA SER 19 -12.956 -5.060 0.523
170 HB2 SER 19 2HB SER 19 -11.086 -7.052 -0.462
171 HB3 SER 19 1HB SER 19 -12.754 -7.482 -0.842
172 HG SER 19 HG SER 19 -11.704 -4.901 -1.329
173 H ALA 20 H ALA 20 -12.411 -7.438 2.850
174 HA ALA 20 HA ALA 20 -14.460 -9.254 2.573
175 HB1 ALA 20 1HB ALA 20 -14.467 -9.033 5.218
176 HB2 ALA 20 2HB ALA 20 -12.994 -8.124 4.883
177 HB3 ALA 20 3HB ALA 20 -13.140 -9.796 4.342
178 H LYS 21 H LYS 21 -14.592 -5.979 3.663
179 HA LYS 21 HA LYS 21 -16.498 -5.126 4.968
180 HB2 LYS 21 2HB LYS 21 -16.965 -4.558 2.068
181 HB3 LYS 21 1HB LYS 21 -17.226 -3.503 3.449
182 HG2 LYS 21 2HG LYS 21 -14.813 -3.337 3.786
183 HG3 LYS 21 1HG LYS 21 -14.547 -4.404 2.406
184 HD2 LYS 21 2HD LYS 21 -16.042 -2.597 1.181
185 HD3 LYS 21 1HD LYS 21 -15.435 -1.565 2.477
186 HE2 LYS 21 2HE LYS 21 -13.283 -3.109 1.380
187 HE3 LYS 21 1HE LYS 21 -14.142 -2.282 0.081
188 HZ1 LYS 21 3HZ LYS 21 -13.384 -0.806 2.513
189 HZ2 LYS 21 1HZ LYS 21 -13.645 -0.223 0.946
190 HZ3 LYS 21 2HZ LYS 21 -12.234 -1.082 1.305
191 H LYS 22 H LYS 22 -17.399 -7.173 5.400
192 HA LYS 22 HA LYS 22 -19.724 -7.967 3.819
193 HB2 LYS 22 2HB LYS 22 -17.912 -9.433 5.237
194 HB3 LYS 22 1HB LYS 22 -19.246 -9.341 6.378
195 HG2 LYS 22 2HG LYS 22 -20.529 -9.978 4.052
196 HG3 LYS 22 1HG LYS 22 -19.001 -10.845 3.889
197 HD2 LYS 22 2HD LYS 22 -20.889 -11.017 6.238
198 HD3 LYS 22 1HD LYS 22 -20.706 -12.230 4.969
199 HE2 LYS 22 2HE LYS 22 -19.344 -13.113 6.586
200 HE3 LYS 22 1HE LYS 22 -18.182 -12.137 5.688
201 HZ1 LYS 22 3HZ LYS 22 -18.427 -12.001 8.306
202 HZ2 LYS 22 1HZ LYS 22 -19.580 -10.834 7.891
203 HZ3 LYS 22 2HZ LYS 22 -17.979 -10.663 7.374
204 H LYS 23 H LYS 23 -19.186 -5.669 6.083
205 HA LYS 23 HA LYS 23 -21.974 -5.757 6.965
206 HB2 LYS 23 2HB LYS 23 -19.756 -4.952 8.841
207 HB3 LYS 23 1HB LYS 23 -21.443 -5.267 9.226
208 HG2 LYS 23 2HG LYS 23 -20.700 -7.260 9.903
209 HG3 LYS 23 1HG LYS 23 -20.674 -7.658 8.184
210 HD2 LYS 23 2HD LYS 23 -18.543 -8.261 8.823
211 HD3 LYS 23 1HD LYS 23 -18.283 -6.604 8.274
212 HE2 LYS 23 2HE LYS 23 -18.907 -7.198 11.144
213 HE3 LYS 23 1HE LYS 23 -17.262 -7.349 10.526
214 HZ1 LYS 23 3HZ LYS 23 -17.218 -5.192 11.165
215 HZ2 LYS 23 1HZ LYS 23 -18.879 -4.955 10.945
216 HZ3 LYS 23 2HZ LYS 23 -17.840 -4.955 9.610
217 H ARG 24 H ARG 24 -21.478 -4.290 4.921
218 HA ARG 24 HA ARG 24 -21.572 -2.196 4.036
219 HB2 ARG 24 2HB ARG 24 -22.742 -1.997 6.681
220 HB3 ARG 24 1HB ARG 24 -21.977 -0.483 6.214
221 HG2 ARG 24 2HG ARG 24 -23.507 -1.531 4.022
222 HG3 ARG 24 1HG ARG 24 -24.504 -1.430 5.474
223 HD2 ARG 24 2HD ARG 24 -24.549 0.806 5.417
224 HD3 ARG 24 1HD ARG 24 -22.824 0.918 5.074
225 HE ARG 24 HE ARG 24 -24.333 0.060 2.805
226 HH11 ARG 24 1HH1 ARG 24 -23.360 2.864 4.640
227 HH12 ARG 24 2HH1 ARG 24 -23.514 3.950 3.301
228 HH21 ARG 24 1HH2 ARG 24 -24.535 1.487 1.040
229 HH22 ARG 24 2HH2 ARG 24 -24.180 3.168 1.257
Start of MODEL 19
1 H2 PRO 1 1HT PRO 1 -1.706 15.236 -4.210
2 H3 PRO 1 2HT PRO 1 -0.088 14.958 -4.316
3 HA PRO 1 HA PRO 1 -0.354 14.748 -6.336
4 HB2 PRO 1 2HB PRO 1 -1.864 12.306 -6.472
5 HB3 PRO 1 1HB PRO 1 -0.127 12.544 -6.692
6 HG2 PRO 1 2HG PRO 1 -1.246 11.238 -4.548
7 HG3 PRO 1 1HG PRO 1 0.346 12.013 -4.530
8 HD2 PRO 1 2HD PRO 1 -2.273 13.031 -3.483
9 HD3 PRO 1 1HD PRO 1 -0.655 13.151 -2.768
10 H LEU 2 H LEU 2 -3.458 13.656 -4.939
11 HA LEU 2 HA LEU 2 -4.828 15.208 -7.028
12 HB2 LEU 2 2HB LEU 2 -6.268 13.043 -5.576
13 HB3 LEU 2 1HB LEU 2 -6.421 13.563 -7.241
14 HG LEU 2 HG LEU 2 -4.042 12.475 -7.474
15 HD11 LEU 2 1HD1 LEU 2 -4.910 10.450 -5.574
16 HD12 LEU 2 2HD1 LEU 2 -4.494 11.979 -4.800
17 HD13 LEU 2 3HD1 LEU 2 -3.316 11.158 -5.823
18 HD21 LEU 2 3HD2 LEU 2 -5.078 10.501 -8.269
19 HD22 LEU 2 1HD2 LEU 2 -6.239 11.805 -8.524
20 HD23 LEU 2 2HD2 LEU 2 -6.446 10.692 -7.172
21 H SER 3 H SER 3 -7.025 14.102 -4.736
22 HA SER 3 HA SER 3 -6.693 16.430 -3.000
23 HB2 SER 3 2HB SER 3 -8.482 16.621 -4.963
24 HB3 SER 3 1HB SER 3 -9.465 15.687 -3.836
25 HG SER 3 HG SER 3 -8.756 18.310 -3.754
26 H ARG 4 H ARG 4 -7.005 13.182 -3.356
27 HA ARG 4 HA ARG 4 -8.245 12.805 -0.717
28 HB2 ARG 4 2HB ARG 4 -9.070 10.716 -1.484
29 HB3 ARG 4 1HB ARG 4 -9.427 11.883 -2.749
30 HG2 ARG 4 2HG ARG 4 -7.002 10.951 -3.557
31 HG3 ARG 4 1HG ARG 4 -7.692 9.510 -2.808
32 HD2 ARG 4 2HD ARG 4 -9.084 11.213 -4.875
33 HD3 ARG 4 1HD ARG 4 -8.185 9.742 -5.240
34 HE ARG 4 HE ARG 4 -9.945 8.882 -3.407
35 HH11 ARG 4 1HH1 ARG 4 -10.357 10.796 -6.299
36 HH12 ARG 4 2HH1 ARG 4 -11.970 10.237 -6.587
37 HH21 ARG 4 1HH2 ARG 4 -12.066 8.147 -3.788
38 HH22 ARG 4 2HH2 ARG 4 -12.940 8.733 -5.164
39 H GLY 5 H GLY 5 -5.712 11.899 -2.895
40 HA2 GLY 5 2HA GLY 5 -3.496 11.371 -2.220
41 HA3 GLY 5 1HA GLY 5 -4.131 10.862 -0.657
42 H LYS 6 H LYS 6 -5.534 10.005 -3.757
43 HA LYS 6 HA LYS 6 -5.811 7.305 -3.208
44 HB2 LYS 6 2HB LYS 6 -6.262 8.994 -5.415
45 HB3 LYS 6 1HB LYS 6 -5.479 7.524 -5.974
46 HG2 LYS 6 2HG LYS 6 -7.280 6.362 -4.479
47 HG3 LYS 6 1HG LYS 6 -8.139 7.884 -4.696
48 HD2 LYS 6 2HD LYS 6 -8.013 7.632 -7.115
49 HD3 LYS 6 1HD LYS 6 -7.094 6.139 -6.924
50 HE2 LYS 6 2HE LYS 6 -9.431 5.860 -5.371
51 HE3 LYS 6 1HE LYS 6 -9.930 6.531 -6.922
52 HZ1 LYS 6 3HZ LYS 6 -9.476 3.913 -6.422
53 HZ2 LYS 6 1HZ LYS 6 -8.030 4.387 -7.161
54 HZ3 LYS 6 2HZ LYS 6 -9.504 4.619 -7.959
55 H LYS 7 H LYS 7 -2.955 8.965 -3.861
56 HA LYS 7 HA LYS 7 -1.376 7.102 -5.206
57 HB2 LYS 7 2HB LYS 7 0.502 8.095 -4.095
58 HB3 LYS 7 1HB LYS 7 -0.656 9.373 -4.421
59 HG2 LYS 7 2HG LYS 7 -0.991 8.158 -1.795
60 HG3 LYS 7 1HG LYS 7 0.589 8.905 -2.030
61 HD2 LYS 7 2HD LYS 7 -0.370 11.008 -2.511
62 HD3 LYS 7 1HD LYS 7 -1.981 10.312 -2.699
63 HE2 LYS 7 2HE LYS 7 -2.115 11.251 -0.595
64 HE3 LYS 7 1HE LYS 7 -1.663 9.590 -0.219
65 HZ1 LYS 7 3HZ LYS 7 -0.161 12.040 0.131
66 HZ2 LYS 7 1HZ LYS 7 0.734 10.741 -0.480
67 HZ3 LYS 7 2HZ LYS 7 -0.080 10.588 0.994
68 H TRP 8 H TRP 8 -2.891 7.103 -2.222
69 HA TRP 8 HA TRP 8 -1.426 5.014 -0.891
70 HB2 TRP 8 2HB TRP 8 -2.963 5.179 0.867
71 HB3 TRP 8 1HB TRP 8 -2.989 6.813 0.209
72 HD1 TRP 8 HD TRP 8 -4.935 6.877 -1.923
73 HE1 TRP 8 1HE TRP 8 -7.399 6.305 -1.762
74 HE3 TRP 8 3HE TRP 8 -4.665 3.848 2.124
75 HZ2 TRP 8 2HZ TRP 8 -9.056 4.746 -0.044
76 HZ3 TRP 8 3HZ TRP 8 -6.731 2.858 2.994
77 HH2 TRP 8 HH TRP 8 -8.871 3.277 1.915
78 H THR 9 H THR 9 -4.300 5.359 -2.796
79 HA THR 9 HA THR 9 -5.483 2.896 -2.564
80 HB THR 9 HB THR 9 -5.814 5.134 -4.208
81 HG1 THR 9 1HG THR 9 -7.218 2.704 -3.936
82 HG21 THR 9 3HG2 THR 9 -4.502 4.025 -5.960
83 HG22 THR 9 1HG2 THR 9 -6.188 4.267 -6.415
84 HG23 THR 9 2HG2 THR 9 -5.629 2.671 -5.915
85 H GLU 10 H GLU 10 -2.668 3.935 -4.144
86 HA GLU 10 HA GLU 10 -2.091 1.863 -5.890
87 HB2 GLU 10 2HB GLU 10 -0.250 3.166 -6.061
88 HB3 GLU 10 1HB GLU 10 -0.836 4.094 -4.699
89 HG2 GLU 10 2HG GLU 10 1.287 3.520 -4.035
90 HG3 GLU 10 1HG GLU 10 0.301 2.299 -3.246
91 H LYS 11 H LYS 11 -1.795 2.148 -2.443
92 HA LYS 11 HA LYS 11 -0.507 -0.336 -1.974
93 HB2 LYS 11 2HB LYS 11 -2.161 1.309 -0.117
94 HB3 LYS 11 1HB LYS 11 -0.958 0.103 0.325
95 HG2 LYS 11 2HG LYS 11 0.806 1.441 -0.358
96 HG3 LYS 11 1HG LYS 11 -0.248 2.494 -1.301
97 HD2 LYS 11 2HD LYS 11 0.646 2.901 1.331
98 HD3 LYS 11 1HD LYS 11 -0.552 3.846 0.447
99 HE2 LYS 11 2HE LYS 11 -2.345 2.532 1.307
100 HE3 LYS 11 1HE LYS 11 -1.233 1.339 1.976
101 HZ1 LYS 11 3HZ LYS 11 -0.886 4.066 2.925
102 HZ2 LYS 11 1HZ LYS 11 -0.817 2.606 3.777
103 HZ3 LYS 11 2HZ LYS 11 -2.315 3.302 3.408
104 H LEU 12 H LEU 12 -3.758 0.752 -2.272
105 HA LEU 12 HA LEU 12 -4.717 -1.782 -1.256
106 HB2 LEU 12 2HB LEU 12 -6.886 -0.328 -2.192
107 HB3 LEU 12 1HB LEU 12 -6.468 -0.805 -0.575
108 HG LEU 12 HG LEU 12 -6.357 1.814 -1.834
109 HD11 LEU 12 1HD1 LEU 12 -7.650 2.087 -0.098
110 HD12 LEU 12 2HD1 LEU 12 -6.278 1.777 0.961
111 HD13 LEU 12 3HD1 LEU 12 -7.309 0.449 0.449
112 HD21 LEU 12 3HD2 LEU 12 -4.533 2.323 0.032
113 HD22 LEU 12 1HD2 LEU 12 -4.087 1.918 -1.617
114 HD23 LEU 12 2HD2 LEU 12 -4.028 0.693 -0.369
115 H ALA 13 H ALA 13 -4.208 0.076 -4.029
116 HA ALA 13 HA ALA 13 -5.665 -1.519 -5.864
117 HB1 ALA 13 1HB ALA 13 -4.797 0.577 -6.673
118 HB2 ALA 13 2HB ALA 13 -3.933 -0.702 -7.525
119 HB3 ALA 13 3HB ALA 13 -3.158 0.144 -6.186
120 H ARG 14 H ARG 14 -3.039 -1.910 -3.726
121 HA ARG 14 HA ARG 14 -2.233 -4.407 -5.119
122 HB2 ARG 14 2HB ARG 14 -0.131 -4.201 -3.891
123 HB3 ARG 14 1HB ARG 14 -0.436 -2.749 -4.847
124 HG2 ARG 14 2HG ARG 14 -0.408 -1.490 -3.028
125 HG3 ARG 14 1HG ARG 14 -1.655 -2.482 -2.295
126 HD2 ARG 14 2HD ARG 14 0.457 -2.288 -1.002
127 HD3 ARG 14 1HD ARG 14 -0.120 -3.922 -1.325
128 HE ARG 14 HE ARG 14 1.880 -4.307 -2.338
129 HH11 ARG 14 1HH1 ARG 14 1.204 -0.886 -2.663
130 HH12 ARG 14 2HH1 ARG 14 2.660 -0.560 -3.538
131 HH21 ARG 14 1HH2 ARG 14 3.794 -3.864 -3.475
132 HH22 ARG 14 2HH2 ARG 14 4.129 -2.244 -3.990
133 H PHE 15 H PHE 15 -3.807 -3.086 -2.324
134 HA PHE 15 HA PHE 15 -3.491 -5.717 -1.047
135 HB2 PHE 15 2HB PHE 15 -3.554 -4.736 1.128
136 HB3 PHE 15 1HB PHE 15 -2.315 -3.946 0.178
137 HD1 PHE 15 2HD PHE 15 -5.981 -3.349 0.692
138 HD2 PHE 15 1HD PHE 15 -2.014 -1.842 0.752
139 HE1 PHE 15 2HE PHE 15 -6.807 -1.199 1.386
140 HE2 PHE 15 1HE PHE 15 -2.820 0.303 1.454
141 HZ PHE 15 HZ PHE 15 -5.241 0.665 1.821
142 H GLN 16 H GLN 16 -5.715 -3.096 -1.677
143 HA GLN 16 HA GLN 16 -7.976 -4.242 -0.463
144 HB2 GLN 16 2HB GLN 16 -7.459 -2.217 -2.566
145 HB3 GLN 16 1HB GLN 16 -9.083 -2.887 -2.476
146 HG2 GLN 16 2HG GLN 16 -7.793 -1.981 0.017
147 HG3 GLN 16 1HG GLN 16 -8.360 -0.760 -1.117
148 HE21 GLN 16 1HE2 GLN 16 -9.201 -2.309 1.576
149 HE22 GLN 16 2HE2 GLN 16 -10.922 -2.330 1.417
150 H ARG 17 H ARG 17 -6.137 -5.267 -3.057
151 HA ARG 17 HA ARG 17 -7.514 -6.285 -5.057
152 HB2 ARG 17 2HB ARG 17 -6.093 -8.528 -4.197
153 HB3 ARG 17 1HB ARG 17 -5.558 -7.299 -5.330
154 HG2 ARG 17 2HG ARG 17 -4.349 -6.143 -3.682
155 HG3 ARG 17 1HG ARG 17 -5.201 -6.950 -2.367
156 HD2 ARG 17 2HD ARG 17 -3.183 -8.045 -2.353
157 HD3 ARG 17 1HD ARG 17 -4.156 -9.106 -3.371
158 HE ARG 17 HE ARG 17 -2.737 -7.141 -4.885
159 HH11 ARG 17 1HH1 ARG 17 -2.431 -10.238 -3.303
160 HH12 ARG 17 2HH1 ARG 17 -1.123 -10.762 -4.310
161 HH21 ARG 17 1HH2 ARG 17 -1.019 -7.830 -6.209
162 HH22 ARG 17 2HH2 ARG 17 -0.322 -9.397 -5.961
163 H SER 18 H SER 18 -7.528 -7.578 -1.840
164 HA SER 18 HA SER 18 -8.889 -9.918 -2.008
165 HB2 SER 18 2HB SER 18 -8.369 -7.999 -0.010
166 HB3 SER 18 1HB SER 18 -10.091 -8.365 0.089
167 HG SER 18 HG SER 18 -9.331 -10.657 0.009
168 H SER 19 H SER 19 -10.160 -6.722 -2.287
169 HA SER 19 HA SER 19 -12.744 -7.803 -3.195
170 HB2 SER 19 2HB SER 19 -12.167 -5.778 -1.125
171 HB3 SER 19 1HB SER 19 -13.452 -5.354 -2.256
172 HG SER 19 HG SER 19 -14.102 -6.567 -0.334
173 H ALA 20 H ALA 20 -10.057 -5.883 -3.861
174 HA ALA 20 HA ALA 20 -10.877 -3.753 -5.345
175 HB1 ALA 20 1HB ALA 20 -8.824 -3.796 -6.456
176 HB2 ALA 20 2HB ALA 20 -8.726 -5.555 -6.385
177 HB3 ALA 20 3HB ALA 20 -8.510 -4.599 -4.916
178 H LYS 21 H LYS 21 -11.112 -7.084 -6.217
179 HA LYS 21 HA LYS 21 -12.534 -6.322 -8.663
180 HB2 LYS 21 2HB LYS 21 -10.892 -8.820 -8.350
181 HB3 LYS 21 1HB LYS 21 -11.687 -8.238 -9.805
182 HG2 LYS 21 2HG LYS 21 -10.056 -6.144 -9.197
183 HG3 LYS 21 1HG LYS 21 -9.090 -7.521 -8.661
184 HD2 LYS 21 2HD LYS 21 -8.939 -8.409 -10.783
185 HD3 LYS 21 1HD LYS 21 -10.416 -7.616 -11.333
186 HE2 LYS 21 2HE LYS 21 -7.752 -6.305 -10.808
187 HE3 LYS 21 1HE LYS 21 -8.490 -6.592 -12.384
188 HZ1 LYS 21 3HZ LYS 21 -9.288 -4.666 -10.295
189 HZ2 LYS 21 1HZ LYS 21 -10.399 -5.178 -11.465
190 HZ3 LYS 21 2HZ LYS 21 -8.980 -4.386 -11.935
191 H LYS 22 H LYS 22 -14.106 -6.367 -6.932
192 HA LYS 22 HA LYS 22 -15.262 -9.042 -6.552
193 HB2 LYS 22 2HB LYS 22 -14.588 -7.906 -4.448
194 HB3 LYS 22 1HB LYS 22 -15.696 -6.596 -4.833
195 HG2 LYS 22 2HG LYS 22 -17.292 -8.831 -5.003
196 HG3 LYS 22 1HG LYS 22 -16.218 -9.200 -3.654
197 HD2 LYS 22 2HD LYS 22 -17.790 -6.641 -3.929
198 HD3 LYS 22 1HD LYS 22 -18.316 -8.037 -2.985
199 HE2 LYS 22 2HE LYS 22 -15.596 -7.002 -2.444
200 HE3 LYS 22 1HE LYS 22 -16.945 -5.988 -1.936
201 HZ1 LYS 22 3HZ LYS 22 -15.961 -7.865 -0.396
202 HZ2 LYS 22 1HZ LYS 22 -17.056 -8.829 -1.254
203 HZ3 LYS 22 2HZ LYS 22 -17.609 -7.486 -0.385
204 H LYS 23 H LYS 23 -15.782 -5.823 -7.679
205 HA LYS 23 HA LYS 23 -18.379 -6.639 -8.748
206 HB2 LYS 23 2HB LYS 23 -19.390 -4.511 -8.177
207 HB3 LYS 23 1HB LYS 23 -18.788 -5.284 -6.717
208 HG2 LYS 23 2HG LYS 23 -16.674 -3.710 -7.593
209 HG3 LYS 23 1HG LYS 23 -18.111 -2.724 -7.865
210 HD2 LYS 23 2HD LYS 23 -17.830 -4.157 -5.269
211 HD3 LYS 23 1HD LYS 23 -16.859 -2.709 -5.544
212 HE2 LYS 23 2HE LYS 23 -18.636 -1.546 -4.866
213 HE3 LYS 23 1HE LYS 23 -19.381 -1.977 -6.405
214 HZ1 LYS 23 3HZ LYS 23 -19.621 -3.543 -3.892
215 HZ2 LYS 23 1HZ LYS 23 -20.378 -3.899 -5.364
216 HZ3 LYS 23 2HZ LYS 23 -20.804 -2.503 -4.508
217 H ARG 24 H ARG 24 -16.370 -6.854 -10.345
218 HA ARG 24 HA ARG 24 -16.586 -4.535 -12.126
219 HB2 ARG 24 2HB ARG 24 -13.974 -5.945 -11.551
220 HB3 ARG 24 1HB ARG 24 -14.212 -4.590 -12.644
221 HG2 ARG 24 2HG ARG 24 -14.872 -4.358 -9.733
222 HG3 ARG 24 1HG ARG 24 -13.223 -4.135 -10.322
223 HD2 ARG 24 2HD ARG 24 -13.713 -2.176 -11.362
224 HD3 ARG 24 1HD ARG 24 -15.364 -2.665 -11.743
225 HE ARG 24 HE ARG 24 -15.427 -2.366 -9.061
226 HH11 ARG 24 1HH1 ARG 24 -14.329 -0.301 -11.652
227 HH12 ARG 24 2HH1 ARG 24 -14.698 1.165 -10.807
228 HH21 ARG 24 1HH2 ARG 24 -15.910 -0.441 -7.948
229 HH22 ARG 24 2HH2 ARG 24 -15.595 1.086 -8.703
Start of MODEL 20
1 H2 PRO 1 1HT PRO 1 -2.397 15.216 -4.149
2 H3 PRO 1 2HT PRO 1 -1.010 15.962 -4.620
3 HA PRO 1 HA PRO 1 -1.191 15.439 -6.619
4 HB2 PRO 1 2HB PRO 1 -2.415 12.898 -6.793
5 HB3 PRO 1 1HB PRO 1 -0.703 13.281 -7.014
6 HG2 PRO 1 2HG PRO 1 -2.123 12.292 -4.596
7 HG3 PRO 1 1HG PRO 1 -0.467 11.974 -5.140
8 HD2 PRO 1 2HD PRO 1 -0.935 13.624 -3.098
9 HD3 PRO 1 1HD PRO 1 0.336 13.986 -4.282
10 H LEU 2 H LEU 2 -3.891 14.033 -4.755
11 HA LEU 2 HA LEU 2 -5.735 15.540 -6.478
12 HB2 LEU 2 2HB LEU 2 -7.390 13.710 -5.956
13 HB3 LEU 2 1HB LEU 2 -6.046 13.242 -6.977
14 HG LEU 2 HG LEU 2 -5.814 12.769 -4.063
15 HD11 LEU 2 1HD1 LEU 2 -7.582 11.252 -5.967
16 HD12 LEU 2 2HD1 LEU 2 -8.021 11.975 -4.422
17 HD13 LEU 2 3HD1 LEU 2 -6.972 10.566 -4.468
18 HD21 LEU 2 3HD2 LEU 2 -4.487 10.918 -4.782
19 HD22 LEU 2 1HD2 LEU 2 -3.994 12.319 -5.730
20 HD23 LEU 2 2HD2 LEU 2 -5.041 11.096 -6.447
21 H SER 3 H SER 3 -7.396 13.957 -4.001
22 HA SER 3 HA SER 3 -7.067 16.202 -2.146
23 HB2 SER 3 2HB SER 3 -9.213 16.131 -3.797
24 HB3 SER 3 1HB SER 3 -9.825 15.171 -2.451
25 HG SER 3 HG SER 3 -10.297 17.226 -1.905
26 H ARG 4 H ARG 4 -8.129 12.962 -2.789
27 HA ARG 4 HA ARG 4 -8.412 12.281 0.010
28 HB2 ARG 4 2HB ARG 4 -9.551 10.463 -0.746
29 HB3 ARG 4 1HB ARG 4 -9.723 11.475 -2.169
30 HG2 ARG 4 2HG ARG 4 -7.456 10.252 -2.851
31 HG3 ARG 4 1HG ARG 4 -8.103 9.009 -1.786
32 HD2 ARG 4 2HD ARG 4 -10.223 9.928 -3.426
33 HD3 ARG 4 1HD ARG 4 -8.830 9.643 -4.467
34 HE ARG 4 HE ARG 4 -9.185 7.413 -4.195
35 HH11 ARG 4 1HH1 ARG 4 -10.617 9.064 -1.475
36 HH12 ARG 4 2HH1 ARG 4 -11.236 7.614 -0.761
37 HH21 ARG 4 1HH2 ARG 4 -10.007 5.507 -3.263
38 HH22 ARG 4 2HH2 ARG 4 -10.892 5.595 -1.776
39 H GLY 5 H GLY 5 -6.334 11.716 -2.694
40 HA2 GLY 5 2HA GLY 5 -4.040 11.221 -2.629
41 HA3 GLY 5 1HA GLY 5 -4.219 10.748 -0.940
42 H LYS 6 H LYS 6 -5.791 9.757 -4.015
43 HA LYS 6 HA LYS 6 -6.101 7.090 -3.178
44 HB2 LYS 6 2HB LYS 6 -5.937 6.712 -5.827
45 HB3 LYS 6 1HB LYS 6 -7.383 7.187 -4.958
46 HG2 LYS 6 2HG LYS 6 -7.376 9.280 -5.813
47 HG3 LYS 6 1HG LYS 6 -5.617 9.359 -5.902
48 HD2 LYS 6 2HD LYS 6 -6.644 9.326 -8.130
49 HD3 LYS 6 1HD LYS 6 -5.637 7.905 -7.853
50 HE2 LYS 6 2HE LYS 6 -7.965 7.602 -8.940
51 HE3 LYS 6 1HE LYS 6 -7.462 6.486 -7.672
52 HZ1 LYS 6 3HZ LYS 6 -8.915 7.395 -6.170
53 HZ2 LYS 6 1HZ LYS 6 -9.803 7.570 -7.600
54 HZ3 LYS 6 2HZ LYS 6 -8.980 8.896 -6.946
55 H LYS 7 H LYS 7 -3.325 8.726 -3.928
56 HA LYS 7 HA LYS 7 -1.686 6.841 -5.170
57 HB2 LYS 7 2HB LYS 7 -0.187 7.980 -3.024
58 HB3 LYS 7 1HB LYS 7 -0.101 8.364 -4.732
59 HG2 LYS 7 2HG LYS 7 -0.561 10.417 -3.876
60 HG3 LYS 7 1HG LYS 7 -2.199 9.844 -4.165
61 HD2 LYS 7 2HD LYS 7 -1.997 10.867 -1.958
62 HD3 LYS 7 1HD LYS 7 -2.366 9.148 -1.830
63 HE2 LYS 7 2HE LYS 7 -0.552 8.817 -0.608
64 HE3 LYS 7 1HE LYS 7 0.460 9.473 -1.893
65 HZ1 LYS 7 3HZ LYS 7 0.406 11.579 -0.973
66 HZ2 LYS 7 1HZ LYS 7 0.500 10.593 0.399
67 HZ3 LYS 7 2HZ LYS 7 -0.981 11.273 -0.054
68 H TRP 8 H TRP 8 -3.169 6.918 -2.176
69 HA TRP 8 HA TRP 8 -1.631 4.919 -0.809
70 HB2 TRP 8 2HB TRP 8 -3.063 5.172 0.988
71 HB3 TRP 8 1HB TRP 8 -3.254 6.741 0.215
72 HD1 TRP 8 HD TRP 8 -5.401 6.617 -1.705
73 HE1 TRP 8 1HE TRP 8 -7.795 5.852 -1.257
74 HE3 TRP 8 3HE TRP 8 -4.501 3.648 2.321
75 HZ2 TRP 8 2HZ TRP 8 -9.137 4.203 0.611
76 HZ3 TRP 8 3HZ TRP 8 -6.388 2.520 3.402
77 HH2 TRP 8 HH TRP 8 -8.653 2.771 2.545
78 H THR 9 H THR 9 -4.579 5.150 -2.621
79 HA THR 9 HA THR 9 -5.648 2.639 -2.317
80 HB THR 9 HB THR 9 -6.123 4.856 -3.971
81 HG1 THR 9 1HG THR 9 -8.086 3.753 -4.347
82 HG21 THR 9 3HG2 THR 9 -6.007 2.362 -5.640
83 HG22 THR 9 1HG2 THR 9 -4.871 3.705 -5.759
84 HG23 THR 9 2HG2 THR 9 -6.575 3.957 -6.138
85 H GLU 10 H GLU 10 -2.941 3.780 -4.023
86 HA GLU 10 HA GLU 10 -2.353 1.725 -5.782
87 HB2 GLU 10 2HB GLU 10 -0.570 3.096 -6.039
88 HB3 GLU 10 1HB GLU 10 -1.145 4.017 -4.669
89 HG2 GLU 10 2HG GLU 10 1.024 3.546 -4.074
90 HG3 GLU 10 1HG GLU 10 0.124 2.289 -3.239
91 H LYS 11 H LYS 11 -1.931 2.039 -2.352
92 HA LYS 11 HA LYS 11 -0.517 -0.387 -1.937
93 HB2 LYS 11 2HB LYS 11 -2.145 1.203 -0.007
94 HB3 LYS 11 1HB LYS 11 -0.876 0.046 0.383
95 HG2 LYS 11 2HG LYS 11 0.802 1.445 -0.387
96 HG3 LYS 11 1HG LYS 11 -0.331 2.448 -1.293
97 HD2 LYS 11 2HD LYS 11 0.665 2.915 1.291
98 HD3 LYS 11 1HD LYS 11 -0.603 3.809 0.453
99 HE2 LYS 11 2HE LYS 11 -2.309 2.450 1.410
100 HE3 LYS 11 1HE LYS 11 -1.130 1.299 2.036
101 HZ1 LYS 11 3HZ LYS 11 -1.381 2.469 3.919
102 HZ2 LYS 11 1HZ LYS 11 -1.995 3.836 3.131
103 HZ3 LYS 11 2HZ LYS 11 -0.325 3.577 3.198
104 H LEU 12 H LEU 12 -3.819 0.561 -2.102
105 HA LEU 12 HA LEU 12 -4.640 -2.009 -1.044
106 HB2 LEU 12 2HB LEU 12 -6.888 -0.595 -1.920
107 HB3 LEU 12 1HB LEU 12 -6.446 -1.107 -0.319
108 HG LEU 12 HG LEU 12 -6.434 1.542 -1.512
109 HD11 LEU 12 1HD1 LEU 12 -7.207 0.116 0.799
110 HD12 LEU 12 2HD1 LEU 12 -7.635 1.747 0.293
111 HD13 LEU 12 3HD1 LEU 12 -6.194 1.473 1.268
112 HD21 LEU 12 3HD2 LEU 12 -4.518 2.095 0.229
113 HD22 LEU 12 1HD2 LEU 12 -4.152 1.687 -1.437
114 HD23 LEU 12 2HD2 LEU 12 -3.994 0.474 -0.185
115 H ALA 13 H ALA 13 -4.261 -0.146 -3.830
116 HA ALA 13 HA ALA 13 -5.708 -1.788 -5.629
117 HB1 ALA 13 1HB ALA 13 -3.275 -0.032 -6.010
118 HB2 ALA 13 2HB ALA 13 -4.941 0.336 -6.461
119 HB3 ALA 13 3HB ALA 13 -4.045 -0.910 -7.333
120 H ARG 14 H ARG 14 -2.998 -2.092 -3.582
121 HA ARG 14 HA ARG 14 -2.154 -4.567 -5.000
122 HB2 ARG 14 2HB ARG 14 -0.027 -4.294 -3.801
123 HB3 ARG 14 1HB ARG 14 -0.392 -2.868 -4.776
124 HG2 ARG 14 2HG ARG 14 -0.414 -1.566 -2.982
125 HG3 ARG 14 1HG ARG 14 -1.561 -2.625 -2.181
126 HD2 ARG 14 2HD ARG 14 0.608 -2.257 -0.999
127 HD3 ARG 14 1HD ARG 14 0.097 -3.927 -1.234
128 HE ARG 14 HE ARG 14 2.048 -4.258 -2.357
129 HH11 ARG 14 1HH1 ARG 14 1.219 -0.876 -2.693
130 HH12 ARG 14 2HH1 ARG 14 2.626 -0.499 -3.626
131 HH21 ARG 14 1HH2 ARG 14 3.897 -3.754 -3.574
132 HH22 ARG 14 2HH2 ARG 14 4.147 -2.129 -4.122
133 H PHE 15 H PHE 15 -3.605 -3.249 -2.147
134 HA PHE 15 HA PHE 15 -3.260 -5.865 -0.844
135 HB2 PHE 15 2HB PHE 15 -3.192 -4.860 1.302
136 HB3 PHE 15 1HB PHE 15 -2.057 -4.008 0.278
137 HD1 PHE 15 2HD PHE 15 -5.724 -3.593 0.959
138 HD2 PHE 15 1HD PHE 15 -1.833 -1.894 0.882
139 HE1 PHE 15 2HE PHE 15 -6.629 -1.496 1.687
140 HE2 PHE 15 1HE PHE 15 -2.722 0.204 1.622
141 HZ PHE 15 HZ PHE 15 -5.139 0.443 2.083
142 H GLN 16 H GLN 16 -5.527 -3.310 -1.513
143 HA GLN 16 HA GLN 16 -7.753 -3.988 -0.120
144 HB2 GLN 16 2HB GLN 16 -8.907 -2.739 -1.654
145 HB3 GLN 16 1HB GLN 16 -7.275 -2.282 -2.082
146 HG2 GLN 16 2HG GLN 16 -7.822 -2.798 -4.160
147 HG3 GLN 16 1HG GLN 16 -7.698 -4.480 -3.659
148 HE21 GLN 16 1HE2 GLN 16 -10.026 -4.474 -1.991
149 HE22 GLN 16 2HE2 GLN 16 -11.400 -4.393 -3.031
150 H ARG 17 H ARG 17 -6.170 -5.837 -2.503
151 HA ARG 17 HA ARG 17 -7.943 -7.523 -3.625
152 HB2 ARG 17 2HB ARG 17 -5.994 -9.283 -3.011
153 HB3 ARG 17 1HB ARG 17 -5.866 -8.104 -4.308
154 HG2 ARG 17 2HG ARG 17 -4.560 -6.629 -2.937
155 HG3 ARG 17 1HG ARG 17 -4.859 -7.616 -1.505
156 HD2 ARG 17 2HD ARG 17 -3.138 -8.226 -3.886
157 HD3 ARG 17 1HD ARG 17 -2.692 -8.186 -2.183
158 HE ARG 17 HE ARG 17 -3.554 -10.323 -1.919
159 HH11 ARG 17 1HH1 ARG 17 -4.234 -9.130 -5.134
160 HH12 ARG 17 2HH1 ARG 17 -4.689 -10.683 -5.744
161 HH21 ARG 17 1HH2 ARG 17 -4.152 -12.363 -2.732
162 HH22 ARG 17 2HH2 ARG 17 -4.644 -12.513 -4.386
163 H SER 18 H SER 18 -6.453 -7.959 -0.481
164 HA SER 18 HA SER 18 -8.005 -10.267 0.187
165 HB2 SER 18 2HB SER 18 -6.502 -8.481 2.086
166 HB3 SER 18 1HB SER 18 -6.962 -10.165 2.333
167 HG SER 18 HG SER 18 -4.738 -9.849 1.690
168 H SER 19 H SER 19 -8.620 -6.947 0.252
169 HA SER 19 HA SER 19 -10.286 -6.705 2.505
170 HB2 SER 19 2HB SER 19 -9.382 -4.954 0.685
171 HB3 SER 19 1HB SER 19 -11.013 -5.193 0.054
172 HG SER 19 HG SER 19 -11.725 -4.730 2.265
173 H ALA 20 H ALA 20 -10.647 -8.601 -0.204
174 HA ALA 20 HA ALA 20 -13.358 -8.439 -0.831
175 HB1 ALA 20 1HB ALA 20 -11.370 -9.838 -1.860
176 HB2 ALA 20 2HB ALA 20 -13.051 -10.325 -2.078
177 HB3 ALA 20 3HB ALA 20 -12.058 -11.106 -0.846
178 H LYS 21 H LYS 21 -11.726 -10.124 1.738
179 HA LYS 21 HA LYS 21 -14.321 -10.736 2.941
180 HB2 LYS 21 2HB LYS 21 -11.854 -12.458 3.014
181 HB3 LYS 21 1HB LYS 21 -13.329 -12.755 3.924
182 HG2 LYS 21 2HG LYS 21 -13.571 -12.476 0.984
183 HG3 LYS 21 1HG LYS 21 -12.822 -13.948 1.608
184 HD2 LYS 21 2HD LYS 21 -14.834 -14.169 3.128
185 HD3 LYS 21 1HD LYS 21 -15.581 -12.884 2.176
186 HE2 LYS 21 2HE LYS 21 -14.625 -14.684 0.288
187 HE3 LYS 21 1HE LYS 21 -15.274 -15.701 1.574
188 HZ1 LYS 21 3HZ LYS 21 -16.824 -14.885 -0.302
189 HZ2 LYS 21 1HZ LYS 21 -16.851 -13.430 0.562
190 HZ3 LYS 21 2HZ LYS 21 -17.384 -14.858 1.293
191 H LYS 22 H LYS 22 -13.686 -8.598 3.683
192 HA LYS 22 HA LYS 22 -12.015 -8.726 6.102
193 HB2 LYS 22 2HB LYS 22 -11.783 -6.990 3.938
194 HB3 LYS 22 1HB LYS 22 -12.573 -6.026 5.178
195 HG2 LYS 22 2HG LYS 22 -10.272 -7.603 6.100
196 HG3 LYS 22 1HG LYS 22 -9.901 -6.323 4.944
197 HD2 LYS 22 2HD LYS 22 -10.864 -4.663 6.352
198 HD3 LYS 22 1HD LYS 22 -11.559 -5.884 7.420
199 HE2 LYS 22 2HE LYS 22 -9.148 -6.623 7.841
200 HE3 LYS 22 1HE LYS 22 -8.679 -5.097 7.093
201 HZ1 LYS 22 3HZ LYS 22 -10.116 -5.553 9.623
202 HZ2 LYS 22 1HZ LYS 22 -10.304 -4.088 8.797
203 HZ3 LYS 22 2HZ LYS 22 -8.770 -4.573 9.322
204 H LYS 23 H LYS 23 -15.171 -8.484 5.014
205 HA LYS 23 HA LYS 23 -16.038 -7.512 7.634
206 HB2 LYS 23 2HB LYS 23 -17.941 -6.322 6.451
207 HB3 LYS 23 1HB LYS 23 -16.355 -5.580 6.295
208 HG2 LYS 23 2HG LYS 23 -16.875 -5.479 4.121
209 HG3 LYS 23 1HG LYS 23 -16.384 -7.174 4.107
210 HD2 LYS 23 2HD LYS 23 -18.544 -7.939 4.007
211 HD3 LYS 23 1HD LYS 23 -19.197 -6.520 4.826
212 HE2 LYS 23 2HE LYS 23 -19.880 -5.907 2.781
213 HE3 LYS 23 1HE LYS 23 -18.202 -5.425 2.539
214 HZ1 LYS 23 3HZ LYS 23 -19.663 -7.677 1.429
215 HZ2 LYS 23 1HZ LYS 23 -18.068 -7.999 1.897
216 HZ3 LYS 23 2HZ LYS 23 -18.391 -6.778 0.769
217 H ARG 24 H ARG 24 -15.915 -10.060 7.354
218 HA ARG 24 HA ARG 24 -18.340 -11.158 6.194
219 HB2 ARG 24 2HB ARG 24 -15.752 -12.155 6.786
220 HB3 ARG 24 1HB ARG 24 -16.893 -13.081 7.754
221 HG2 ARG 24 2HG ARG 24 -17.660 -12.684 4.943
222 HG3 ARG 24 1HG ARG 24 -16.223 -13.673 5.211
223 HD2 ARG 24 2HD ARG 24 -17.759 -15.322 5.401
224 HD3 ARG 24 1HD ARG 24 -17.836 -14.739 7.062
225 HE ARG 24 HE ARG 24 -19.696 -13.238 5.805
226 HH11 ARG 24 1HH1 ARG 24 -19.120 -16.677 5.949
227 HH12 ARG 24 2HH1 ARG 24 -20.792 -17.090 5.762
228 HH21 ARG 24 1HH2 ARG 24 -21.894 -13.780 5.561
229 HH22 ARG 24 2HH2 ARG 24 -22.366 -15.446 5.541