NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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27394 |
2rly   |
11007 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -3.226 -24.485 -1.295
2 H2 GLY 1 2HT GLY 1 -4.129 -24.939 -2.658
3 H3 GLY 1 3HT GLY 1 -4.531 -25.555 -1.135
4 HA2 GLY 1 1HA GLY 1 -6.081 -23.841 -1.756
5 HA3 GLY 1 2HA GLY 1 -5.125 -23.342 -0.365
6 H ALA 2 H ALA 2 -6.493 -21.613 -2.163
7 HA ALA 2 HA ALA 2 -4.484 -20.500 -3.936
8 HB1 ALA 2 1HB ALA 2 -6.259 -18.992 -4.665
9 HB2 ALA 2 2HB ALA 2 -7.313 -19.599 -3.385
10 HB3 ALA 2 3HB ALA 2 -6.801 -20.667 -4.690
11 H THR 3 H THR 3 -3.606 -18.439 -3.778
12 HA THR 3 HA THR 3 -3.651 -17.303 -1.069
13 HB THR 3 HB THR 3 -1.824 -16.522 -3.343
14 HG1 THR 3 1HG THR 3 -1.922 -18.835 -2.015
15 HG21 THR 3 3HG2 THR 3 -1.595 -16.229 -0.338
16 HG22 THR 3 1HG2 THR 3 -1.916 -14.927 -1.485
17 HG23 THR 3 2HG2 THR 3 -0.359 -15.756 -1.505
18 H ALA 4 H ALA 4 -4.952 -15.658 -0.684
19 HA ALA 4 HA ALA 4 -6.530 -14.476 -2.702
20 HB1 ALA 4 1HB ALA 4 -6.160 -13.681 0.186
21 HB2 ALA 4 2HB ALA 4 -7.387 -14.776 -0.456
22 HB3 ALA 4 3HB ALA 4 -7.420 -13.064 -0.880
23 H VAL 5 H VAL 5 -6.802 -12.119 -2.990
24 HA VAL 5 HA VAL 5 -4.245 -10.682 -2.860
25 HB VAL 5 HB VAL 5 -4.868 -10.980 -5.165
26 HG11 VAL 5 1HG1 VAL 5 -7.231 -11.417 -4.947
27 HG12 VAL 5 2HG1 VAL 5 -6.972 -10.103 -6.095
28 HG13 VAL 5 3HG1 VAL 5 -7.529 -9.748 -4.461
29 HG21 VAL 5 3HG2 VAL 5 -3.838 -8.862 -4.609
30 HG22 VAL 5 1HG2 VAL 5 -5.418 -8.158 -4.255
31 HG23 VAL 5 2HG2 VAL 5 -5.018 -8.636 -5.903
32 H SER 6 H SER 6 -4.293 -9.499 -1.104
33 HA SER 6 HA SER 6 -6.737 -8.528 0.010
34 HG SER 6 HG SER 6 -4.294 -10.276 1.511
35 HB2 SER 6 2HB SER 6 -3.900 -8.290 0.940
36 HB3 SER 6 1HB SER 6 -5.303 -7.749 1.863
37 H GLU 7 H GLU 7 -6.034 -6.260 1.247
38 HA GLU 7 HA GLU 7 -6.640 -4.422 -0.863
39 HB2 GLU 7 2HB GLU 7 -6.020 -3.716 2.002
40 HB3 GLU 7 1HB GLU 7 -7.067 -2.868 0.869
41 HG2 GLU 7 2HG GLU 7 -7.837 -5.630 1.518
42 HG3 GLU 7 1HG GLU 7 -7.931 -4.473 2.845
43 H TRP 8 H TRP 8 -5.037 -3.766 -2.074
44 HA TRP 8 HA TRP 8 -2.436 -3.177 -0.802
45 HD1 TRP 8 HD TRP 8 -2.627 -6.710 -4.124
46 HE1 TRP 8 1HE TRP 8 -2.407 -8.796 -2.634
47 HE3 TRP 8 3HE TRP 8 -1.733 -4.401 0.278
48 HZ2 TRP 8 2HZ TRP 8 -1.932 -9.353 0.112
49 HZ3 TRP 8 3HZ TRP 8 -1.467 -5.760 2.287
50 HH2 TRP 8 HH TRP 8 -1.573 -8.165 2.233
51 HB2 TRP 8 2HB TRP 8 -2.882 -4.158 -3.644
52 HB3 TRP 8 1HB TRP 8 -1.330 -3.851 -2.887
53 H THR 9 H THR 9 -2.579 -1.067 -0.592
54 HA THR 9 HA THR 9 -3.383 0.626 -2.838
55 HB THR 9 HB THR 9 -2.478 1.667 -0.200
56 HG1 THR 9 1HG THR 9 -4.025 0.503 0.713
57 HG21 THR 9 3HG2 THR 9 -4.524 2.607 -2.195
58 HG22 THR 9 1HG2 THR 9 -2.932 3.302 -1.885
59 HG23 THR 9 2HG2 THR 9 -4.187 3.393 -0.651
60 H GLU 10 H GLU 10 -2.039 2.229 -3.569
61 HA GLU 10 HA GLU 10 0.819 1.862 -3.037
62 HB2 GLU 10 2HB GLU 10 1.179 2.681 -5.339
63 HB3 GLU 10 1HB GLU 10 0.164 1.245 -5.306
64 HG2 GLU 10 2HG GLU 10 -1.801 2.918 -5.355
65 HG3 GLU 10 1HG GLU 10 -0.587 4.058 -5.935
66 H TYR 11 H TYR 11 1.827 3.550 -2.071
67 HA TYR 11 HA TYR 11 0.505 6.161 -2.296
68 HD1 TYR 11 1HD TYR 11 -0.041 8.117 -0.188
69 HD2 TYR 11 2HD TYR 11 -1.088 4.031 0.361
70 HE1 TYR 11 1HE TYR 11 -2.341 8.766 0.209
71 HE2 TYR 11 2HE TYR 11 -3.410 4.682 0.759
72 HH TYR 11 HH TYR 11 -4.626 7.748 0.017
73 HB2 TYR 11 2HB TYR 11 1.241 4.682 0.141
74 HB3 TYR 11 1HB TYR 11 1.688 6.389 0.129
75 H LYS 12 H LYS 12 1.647 7.736 -2.985
76 HA LYS 12 HA LYS 12 4.480 7.401 -3.489
77 HB2 LYS 12 2HB LYS 12 3.068 8.287 -5.265
78 HB3 LYS 12 1HB LYS 12 2.507 9.580 -4.217
79 HG2 LYS 12 2HG LYS 12 4.103 10.498 -5.711
80 HG3 LYS 12 1HG LYS 12 4.845 10.416 -4.116
81 HD2 LYS 12 2HD LYS 12 6.084 8.440 -4.746
82 HD3 LYS 12 1HD LYS 12 5.262 8.381 -6.306
83 HE2 LYS 12 2HE LYS 12 7.077 10.591 -5.337
84 HE3 LYS 12 1HE LYS 12 7.501 9.348 -6.514
85 HZ1 LYS 12 3HZ LYS 12 5.320 11.332 -6.873
86 HZ2 LYS 12 1HZ LYS 12 5.851 10.194 -8.016
87 HZ3 LYS 12 2HZ LYS 12 6.869 11.470 -7.543
88 H THR 13 H THR 13 5.871 7.959 -1.990
89 HA THR 13 HA THR 13 5.036 9.682 0.196
90 HB THR 13 HB THR 13 7.037 8.817 1.333
91 HG1 THR 13 1HG THR 13 7.840 6.853 -0.178
92 HG21 THR 13 3HG2 THR 13 6.396 6.345 1.229
93 HG22 THR 13 1HG2 THR 13 5.205 6.824 0.017
94 HG23 THR 13 2HG2 THR 13 5.105 7.482 1.648
95 H ALA 14 H ALA 14 6.638 11.207 1.115
96 HA ALA 14 HA ALA 14 7.601 13.029 -0.855
97 HB1 ALA 14 1HB ALA 14 8.174 12.984 2.109
98 HB2 ALA 14 2HB ALA 14 6.786 13.766 1.350
99 HB3 ALA 14 3HB ALA 14 8.417 14.341 1.010
100 H ASP 15 H ASP 15 8.892 10.290 0.723
101 HA ASP 15 HA ASP 15 11.671 10.828 0.331
102 HB2 ASP 15 2HB ASP 15 10.615 9.083 1.886
103 HB3 ASP 15 1HB ASP 15 10.376 8.097 0.452
104 H GLY 16 H GLY 16 9.123 10.197 -1.746
105 HA2 GLY 16 2HA GLY 16 9.102 10.049 -4.055
106 HA3 GLY 16 1HA GLY 16 10.857 9.954 -4.034
107 H LYS 17 H LYS 17 8.764 7.844 -2.188
108 HA LYS 17 HA LYS 17 9.614 5.631 -3.934
109 HB2 LYS 17 2HB LYS 17 9.151 5.541 -0.943
110 HB3 LYS 17 1HB LYS 17 9.625 4.178 -1.949
111 HG2 LYS 17 2HG LYS 17 11.245 6.659 -1.415
112 HG3 LYS 17 1HG LYS 17 11.535 5.046 -0.753
113 HD2 LYS 17 2HD LYS 17 11.895 4.202 -3.025
114 HD3 LYS 17 1HD LYS 17 11.646 5.831 -3.659
115 HE2 LYS 17 2HE LYS 17 13.834 4.967 -1.769
116 HE3 LYS 17 1HE LYS 17 14.028 5.318 -3.484
117 HZ1 LYS 17 3HZ LYS 17 13.280 7.246 -1.345
118 HZ2 LYS 17 1HZ LYS 17 13.311 7.619 -2.998
119 HZ3 LYS 17 2HZ LYS 17 14.740 7.191 -2.206
120 H THR 18 H THR 18 8.167 3.983 -4.317
121 HA THR 18 HA THR 18 5.352 4.576 -3.740
122 HB THR 18 HB THR 18 6.628 2.628 -5.674
123 HG1 THR 18 1HG THR 18 6.477 5.052 -6.048
124 HG21 THR 18 3HG2 THR 18 4.311 2.285 -6.533
125 HG22 THR 18 1HG2 THR 18 3.702 3.162 -5.127
126 HG23 THR 18 2HG2 THR 18 4.568 1.634 -4.916
127 H TYR 19 H TYR 19 4.959 3.824 -1.687
128 HA TYR 19 HA TYR 19 5.792 1.071 -1.135
129 HD1 TYR 19 2HD TYR 19 3.088 1.334 1.622
130 HD2 TYR 19 1HD TYR 19 5.233 4.993 1.187
131 HE1 TYR 19 2HE TYR 19 1.345 2.507 2.870
132 HE2 TYR 19 1HE TYR 19 3.499 6.165 2.438
133 HH TYR 19 HH TYR 19 1.283 5.977 3.169
134 HB2 TYR 19 2HB TYR 19 5.676 1.482 1.150
135 HB3 TYR 19 1HB TYR 19 6.261 3.006 0.523
136 H TYR 20 H TYR 20 4.250 -0.359 -0.141
137 HA TYR 20 HA TYR 20 1.508 0.070 -1.078
138 HD1 TYR 20 2HD TYR 20 1.000 -1.866 -3.351
139 HD2 TYR 20 1HD TYR 20 4.897 -2.333 -1.701
140 HE1 TYR 20 2HE TYR 20 1.918 -2.151 -5.609
141 HE2 TYR 20 1HE TYR 20 5.822 -2.600 -3.948
142 HH TYR 20 HH TYR 20 4.127 -1.834 -6.751
143 HB2 TYR 20 2HB TYR 20 2.941 -2.485 -0.304
144 HB3 TYR 20 1HB TYR 20 1.327 -2.363 -0.966
145 H TYR 21 H TYR 21 -0.161 -0.253 0.401
146 HA TYR 21 HA TYR 21 0.684 -0.702 3.168
147 HD1 TYR 21 2HD TYR 21 1.954 1.371 4.395
148 HD2 TYR 21 1HD TYR 21 -2.318 1.533 4.760
149 HE1 TYR 21 2HE TYR 21 2.171 1.929 6.771
150 HE2 TYR 21 1HE TYR 21 -2.075 2.127 7.123
151 HH TYR 21 HH TYR 21 -0.634 2.127 8.904
152 HB2 TYR 21 2HB TYR 21 0.281 1.788 2.378
153 HB3 TYR 21 1HB TYR 21 -1.398 1.359 2.649
154 H ASN 22 H ASN 22 -0.207 -2.494 3.649
155 HA ASN 22 HA ASN 22 -2.410 -3.669 2.378
156 HB2 ASN 22 2HB ASN 22 -1.568 -4.398 5.178
157 HB3 ASN 22 1HB ASN 22 -2.199 -5.441 3.919
158 HD21 ASN 22 1HD2 ASN 22 -0.508 -6.909 4.218
159 HD22 ASN 22 2HD2 ASN 22 1.096 -6.577 3.668
160 H ASN 23 H ASN 23 -4.271 -2.396 2.488
161 HA ASN 23 HA ASN 23 -5.230 -1.384 4.975
162 HB2 ASN 23 2HB ASN 23 -5.843 -0.448 2.727
163 HB3 ASN 23 1HB ASN 23 -6.811 -1.886 2.430
164 HD21 ASN 23 1HD2 ASN 23 -8.866 -1.937 3.153
165 HD22 ASN 23 2HD2 ASN 23 -9.584 -0.710 4.144
166 H ARG 24 H ARG 24 -4.798 -4.423 3.930
167 HA ARG 24 HA ARG 24 -7.039 -5.931 4.516
168 HE ARG 24 HE ARG 24 -5.815 -10.687 5.669
169 HB2 ARG 24 2HB ARG 24 -5.002 -6.855 3.517
170 HB3 ARG 24 1HB ARG 24 -4.164 -6.651 5.049
171 HG2 ARG 24 2HG ARG 24 -5.757 -8.219 6.096
172 HG3 ARG 24 1HG ARG 24 -6.511 -8.461 4.518
173 HD2 ARG 24 2HD ARG 24 -4.470 -9.381 3.630
174 HD3 ARG 24 1HD ARG 24 -3.606 -9.005 5.120
175 HH11 ARG 24 1HH1 ARG 24 -2.681 -10.778 4.111
176 HH12 ARG 24 2HH1 ARG 24 -2.364 -12.424 4.535
177 HH21 ARG 24 1HH2 ARG 24 -5.405 -12.891 6.221
178 HH22 ARG 24 2HH2 ARG 24 -3.891 -13.616 5.761
179 H THR 25 H THR 25 -4.322 -6.127 6.737
180 HA THR 25 HA THR 25 -6.138 -5.933 9.030
181 HB THR 25 HB THR 25 -4.105 -6.777 10.302
182 HG1 THR 25 1HG THR 25 -2.328 -6.673 9.150
183 HG21 THR 25 3HG2 THR 25 -5.953 -8.253 9.630
184 HG22 THR 25 1HG2 THR 25 -4.397 -9.082 9.575
185 HG23 THR 25 2HG2 THR 25 -5.158 -8.534 8.081
186 H LEU 26 H LEU 26 -5.101 -3.639 7.417
187 HA LEU 26 HA LEU 26 -4.039 -1.646 7.557
188 HG LEU 26 HG LEU 26 -2.984 0.051 9.921
189 HB2 LEU 26 2HB LEU 26 -5.549 -1.516 9.592
190 HB3 LEU 26 1HB LEU 26 -4.156 -1.976 10.552
191 HD11 LEU 26 1HD1 LEU 26 -3.795 0.230 7.631
192 HD12 LEU 26 2HD1 LEU 26 -4.047 1.742 8.512
193 HD13 LEU 26 3HD1 LEU 26 -5.401 0.650 8.224
194 HD21 LEU 26 3HD2 LEU 26 -5.836 0.618 10.734
195 HD22 LEU 26 1HD2 LEU 26 -4.464 1.709 10.937
196 HD23 LEU 26 2HD2 LEU 26 -4.515 0.183 11.818
197 H GLU 27 H GLU 27 -2.456 -3.503 6.913
198 HA GLU 27 HA GLU 27 -0.038 -3.483 8.582
199 HB2 GLU 27 2HB GLU 27 -0.904 -5.708 7.874
200 HB3 GLU 27 1HB GLU 27 -0.831 -5.199 6.203
201 HG2 GLU 27 2HG GLU 27 1.025 -6.651 6.786
202 HG3 GLU 27 1HG GLU 27 1.572 -5.041 6.305
203 H SER 28 H SER 28 2.033 -3.140 7.350
204 HA SER 28 HA SER 28 1.556 -1.527 4.938
205 HG SER 28 HG SER 28 3.942 -2.408 7.198
206 HB2 SER 28 2HB SER 28 3.745 -0.438 5.394
207 HB3 SER 28 1HB SER 28 2.548 -0.161 6.666
208 H THR 29 H THR 29 3.029 -1.737 3.195
209 HA THR 29 HA THR 29 4.958 -3.911 3.311
210 HB THR 29 HB THR 29 4.137 -4.403 0.856
211 HG1 THR 29 1HG THR 29 1.678 -3.752 2.135
212 HG21 THR 29 3HG2 THR 29 2.961 -6.285 1.681
213 HG22 THR 29 1HG2 THR 29 2.595 -5.461 3.199
214 HG23 THR 29 2HG2 THR 29 4.262 -5.918 2.824
215 H TRP 30 H TRP 30 6.776 -2.930 2.848
216 HA TRP 30 HA TRP 30 6.863 -0.365 1.557
217 HD1 TRP 30 HD TRP 30 7.925 -0.730 5.096
218 HE1 TRP 30 1HE TRP 30 8.692 1.583 5.907
219 HE3 TRP 30 3HE TRP 30 9.856 1.099 0.730
220 HZ2 TRP 30 2HZ TRP 30 9.910 3.876 4.857
221 HZ3 TRP 30 3HZ TRP 30 10.778 3.377 0.712
222 HH2 TRP 30 HH TRP 30 10.788 4.744 2.742
223 HB2 TRP 30 2HB TRP 30 8.719 -2.169 2.917
224 HB3 TRP 30 1HB TRP 30 9.451 -1.280 1.587
225 H GLU 31 H GLU 31 7.969 -3.615 0.680
226 HA GLU 31 HA GLU 31 7.928 -2.782 -2.136
227 HB2 GLU 31 2HB GLU 31 9.184 -4.791 -2.612
228 HB3 GLU 31 1HB GLU 31 10.024 -3.815 -1.415
229 HG2 GLU 31 2HG GLU 31 8.867 -5.337 0.306
230 HG3 GLU 31 1HG GLU 31 8.575 -6.406 -1.063
231 H LYS 32 H LYS 32 7.401 -5.051 -3.455
232 HA LYS 32 HA LYS 32 4.613 -5.134 -3.306
233 HB2 LYS 32 2HB LYS 32 4.737 -6.945 -4.973
234 HB3 LYS 32 1HB LYS 32 5.752 -5.573 -5.390
235 HG2 LYS 32 2HG LYS 32 7.723 -6.775 -4.633
236 HG3 LYS 32 1HG LYS 32 6.722 -8.141 -4.141
237 HD2 LYS 32 2HD LYS 32 6.974 -7.093 -6.964
238 HD3 LYS 32 1HD LYS 32 7.815 -8.506 -6.324
239 HE2 LYS 32 2HE LYS 32 4.818 -8.192 -6.460
240 HE3 LYS 32 1HE LYS 32 5.794 -9.088 -7.621
241 HZ1 LYS 32 3HZ LYS 32 4.849 -10.589 -6.020
242 HZ2 LYS 32 1HZ LYS 32 5.501 -9.710 -4.732
243 HZ3 LYS 32 2HZ LYS 32 6.530 -10.534 -5.795
244 HA PRO 33 HA PRO 33 3.794 -8.015 0.021
245 HB2 PRO 33 2HB PRO 33 1.268 -8.172 -1.571
246 HB3 PRO 33 1HB PRO 33 1.481 -7.933 0.164
247 HG2 PRO 33 2HG PRO 33 0.828 -5.884 -1.384
248 HG3 PRO 33 1HG PRO 33 2.017 -5.679 -0.078
249 HD2 PRO 33 2HD PRO 33 2.456 -5.918 -3.023
250 HD3 PRO 33 1HD PRO 33 3.307 -4.914 -1.831
251 H GLN 34 H GLN 34 3.466 -10.269 0.223
252 HA GLN 34 HA GLN 34 4.288 -11.912 -1.940
253 HB2 GLN 34 2HB GLN 34 4.648 -12.535 0.415
254 HB3 GLN 34 1HB GLN 34 2.912 -12.669 0.648
255 HG2 GLN 34 2HG GLN 34 3.832 -14.853 0.434
256 HG3 GLN 34 1HG GLN 34 2.889 -14.513 -1.012
257 HE21 GLN 34 1HE2 GLN 34 3.957 -16.023 -2.211
258 HE22 GLN 34 2HE2 GLN 34 5.584 -15.820 -2.756
259 H GLU 35 H GLU 35 1.237 -10.790 -0.775
260 HA GLU 35 HA GLU 35 -0.339 -12.673 -2.318
261 HB2 GLU 35 2HB GLU 35 -1.185 -10.266 -0.692
262 HB3 GLU 35 1HB GLU 35 -2.248 -11.515 -1.327
263 HG2 GLU 35 2HG GLU 35 -1.527 -13.092 0.198
264 HG3 GLU 35 1HG GLU 35 -0.018 -12.241 0.516
265 H LEU 36 H LEU 36 1.406 -10.076 -3.119
266 HA LEU 36 HA LEU 36 -0.450 -8.648 -4.790
267 HG LEU 36 HG LEU 36 2.308 -6.121 -5.253
268 HB2 LEU 36 2HB LEU 36 1.685 -7.837 -3.533
269 HB3 LEU 36 1HB LEU 36 2.541 -8.454 -4.935
270 HD11 LEU 36 1HD1 LEU 36 0.164 -7.446 -6.886
271 HD12 LEU 36 2HD1 LEU 36 1.886 -7.382 -7.274
272 HD13 LEU 36 3HD1 LEU 36 0.933 -5.899 -7.239
273 HD21 LEU 36 3HD2 LEU 36 -0.647 -6.373 -4.746
274 HD22 LEU 36 1HD2 LEU 36 0.256 -4.888 -5.063
275 HD23 LEU 36 2HD2 LEU 36 0.527 -5.793 -3.566
276 H LYS 37 H LYS 37 -1.175 -9.638 -6.557
277 HA LYS 37 HA LYS 37 0.645 -11.342 -8.101
278 HB2 LYS 37 2HB LYS 37 -2.364 -11.275 -7.908
279 HB3 LYS 37 1HB LYS 37 -1.520 -12.143 -9.188
280 HG2 LYS 37 2HG LYS 37 -0.405 -13.533 -7.540
281 HG3 LYS 37 1HG LYS 37 -1.190 -12.637 -6.234
282 HD2 LYS 37 2HD LYS 37 -3.343 -13.422 -6.885
283 HD3 LYS 37 1HD LYS 37 -2.708 -14.105 -8.385
284 HE2 LYS 37 2HE LYS 37 -3.127 -15.829 -6.684
285 HE3 LYS 37 1HE LYS 37 -1.427 -15.732 -7.137
286 HZ1 LYS 37 3HZ LYS 37 -1.100 -14.324 -5.122
287 HZ2 LYS 37 1HZ LYS 37 -1.529 -15.926 -4.797
288 HZ3 LYS 37 2HZ LYS 37 -2.687 -14.701 -4.662
289 HA PRO 103 HA PRO 103 -9.459 9.748 2.235
290 HB2 PRO 103 2HB PRO 103 -8.314 10.071 -0.507
291 HB3 PRO 103 1HB PRO 103 -8.943 8.621 0.284
292 HG2 PRO 103 2HG PRO 103 -10.387 9.902 -1.548
293 HG3 PRO 103 1HG PRO 103 -11.151 9.206 -0.106
294 HD2 PRO 103 2HD PRO 103 -10.565 12.055 -0.750
295 HD3 PRO 103 1HD PRO 103 -11.897 11.362 0.195
296 H THR 104 H THR 104 -7.882 10.128 3.638
297 HA THR 104 HA THR 104 -5.664 11.931 2.898
298 HB THR 104 HB THR 104 -6.116 10.722 5.629
299 HG1 THR 104 1HG THR 104 -7.856 12.268 4.284
300 HG21 THR 104 3HG2 THR 104 -5.142 12.840 6.402
301 HG22 THR 104 1HG2 THR 104 -5.042 13.407 4.734
302 HG23 THR 104 2HG2 THR 104 -4.063 12.039 5.261
303 HA PRO 105 HA PRO 105 -3.078 8.305 2.550
304 HB2 PRO 105 2HB PRO 105 -0.632 9.348 2.690
305 HB3 PRO 105 1HB PRO 105 -1.711 9.751 1.358
306 HG2 PRO 105 2HG PRO 105 -1.191 11.330 3.855
307 HG3 PRO 105 1HG PRO 105 -1.161 11.883 2.170
308 HD2 PRO 105 2HD PRO 105 -3.325 12.215 3.766
309 HD3 PRO 105 1HD PRO 105 -3.466 11.945 2.015
310 HA PRO 106 HA PRO 106 -1.843 7.229 6.741
311 HB2 PRO 106 2HB PRO 106 -0.685 4.823 6.128
312 HB3 PRO 106 1HB PRO 106 -2.419 5.045 6.356
313 HG2 PRO 106 2HG PRO 106 -0.914 4.558 3.906
314 HG3 PRO 106 1HG PRO 106 -2.637 4.358 4.207
315 HD2 PRO 106 2HD PRO 106 -1.346 6.502 2.835
316 HD3 PRO 106 1HD PRO 106 -3.073 6.313 3.178
317 HA PRO 107 HA PRO 107 2.391 8.502 6.337
318 HB2 PRO 107 2HB PRO 107 3.326 8.034 8.824
319 HB3 PRO 107 1HB PRO 107 2.216 9.365 8.479
320 HG2 PRO 107 2HG PRO 107 1.661 6.693 9.689
321 HG3 PRO 107 1HG PRO 107 0.984 8.272 10.110
322 HD2 PRO 107 2HD PRO 107 -0.308 6.393 8.573
323 HD3 PRO 107 1HD PRO 107 -0.633 8.137 8.501
324 H LEU 108 H LEU 108 4.441 7.579 6.064
325 HA LEU 108 HA LEU 108 4.233 4.791 5.410
326 HG LEU 108 HG LEU 108 7.570 4.942 5.287
327 HB2 LEU 108 2HB LEU 108 5.237 6.002 3.751
328 HB3 LEU 108 1HB LEU 108 6.091 7.042 4.841
329 HD11 LEU 108 1HD1 LEU 108 7.734 3.458 3.386
330 HD12 LEU 108 2HD1 LEU 108 6.406 4.294 2.586
331 HD13 LEU 108 3HD1 LEU 108 6.110 3.381 4.066
332 HD21 LEU 108 3HD2 LEU 108 8.389 6.942 4.285
333 HD22 LEU 108 1HD2 LEU 108 7.570 6.569 2.767
334 HD23 LEU 108 2HD2 LEU 108 8.926 5.576 3.307
335 HA PRO 109 HA PRO 109 6.395 3.240 8.971
336 HB2 PRO 109 2HB PRO 109 7.257 0.869 7.671
337 HB3 PRO 109 1HB PRO 109 5.839 1.074 8.693
338 HG2 PRO 109 2HG PRO 109 5.892 0.645 5.878
339 HG3 PRO 109 1HG PRO 109 4.502 0.918 6.905
340 HD2 PRO 109 2HD PRO 109 5.782 2.705 5.046
341 HD3 PRO 109 1HD PRO 109 4.237 2.873 5.874
342 HA PRO 110 HA PRO 110 10.732 3.767 8.090
343 HB2 PRO 110 2HB PRO 110 11.627 3.309 10.627
344 HB3 PRO 110 1HB PRO 110 10.831 4.804 10.132
345 HG2 PRO 110 2HG PRO 110 9.853 2.689 11.878
346 HG3 PRO 110 1HG PRO 110 9.196 4.311 11.617
347 HD2 PRO 110 2HD PRO 110 8.326 1.773 10.487
348 HD3 PRO 110 1HD PRO 110 7.527 3.357 10.425
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 0.885 -23.122 -7.049
2 H2 GLY 1 2HT GLY 1 -0.489 -24.002 -7.510
3 H3 GLY 1 3HT GLY 1 0.737 -24.756 -6.617
4 HA2 GLY 1 1HA GLY 1 -1.058 -24.299 -5.142
5 HA3 GLY 1 2HA GLY 1 0.288 -23.235 -4.752
6 H ALA 2 H ALA 2 -1.204 -21.773 -3.773
7 HA ALA 2 HA ALA 2 -2.821 -20.280 -5.734
8 HB1 ALA 2 1HB ALA 2 -3.411 -20.702 -2.807
9 HB2 ALA 2 2HB ALA 2 -4.238 -21.486 -4.155
10 HB3 ALA 2 3HB ALA 2 -4.372 -19.741 -3.928
11 H THR 3 H THR 3 -2.938 -18.050 -5.492
12 HA THR 3 HA THR 3 -1.203 -16.790 -3.520
13 HB THR 3 HB THR 3 0.217 -16.888 -5.458
14 HG1 THR 3 1HG THR 3 -0.081 -14.811 -4.227
15 HG21 THR 3 3HG2 THR 3 -0.389 -15.921 -7.616
16 HG22 THR 3 1HG2 THR 3 -2.014 -15.591 -7.010
17 HG23 THR 3 2HG2 THR 3 -1.456 -17.256 -7.182
18 H ALA 4 H ALA 4 -2.590 -15.654 -2.372
19 HA ALA 4 HA ALA 4 -4.862 -14.378 -3.737
20 HB1 ALA 4 1HB ALA 4 -5.969 -14.379 -1.546
21 HB2 ALA 4 2HB ALA 4 -4.558 -15.170 -0.846
22 HB3 ALA 4 3HB ALA 4 -5.521 -16.005 -2.064
23 H VAL 5 H VAL 5 -4.494 -12.314 -4.148
24 HA VAL 5 HA VAL 5 -2.670 -10.748 -2.569
25 HB VAL 5 HB VAL 5 -3.590 -8.850 -4.071
26 HG11 VAL 5 1HG1 VAL 5 -1.414 -9.595 -4.489
27 HG12 VAL 5 2HG1 VAL 5 -2.238 -9.762 -6.041
28 HG13 VAL 5 3HG1 VAL 5 -1.970 -11.185 -5.035
29 HG21 VAL 5 3HG2 VAL 5 -4.666 -11.253 -5.550
30 HG22 VAL 5 1HG2 VAL 5 -4.577 -9.610 -6.187
31 HG23 VAL 5 2HG2 VAL 5 -5.620 -9.966 -4.812
32 H SER 6 H SER 6 -3.132 -9.405 -0.968
33 HA SER 6 HA SER 6 -5.835 -8.983 -0.119
34 HG SER 6 HG SER 6 -4.397 -10.236 1.279
35 HB2 SER 6 2HB SER 6 -3.311 -7.727 0.908
36 HB3 SER 6 1HB SER 6 -4.880 -7.717 1.703
37 H GLU 7 H GLU 7 -5.965 -6.494 0.711
38 HA GLU 7 HA GLU 7 -6.123 -5.010 -1.732
39 HB2 GLU 7 2HB GLU 7 -6.686 -3.121 0.056
40 HB3 GLU 7 1HB GLU 7 -7.874 -4.324 -0.413
41 HG2 GLU 7 2HG GLU 7 -6.104 -4.617 2.001
42 HG3 GLU 7 1HG GLU 7 -7.682 -3.836 2.048
43 H TRP 8 H TRP 8 -4.556 -3.998 -2.551
44 HA TRP 8 HA TRP 8 -2.222 -3.237 -0.891
45 HD1 TRP 8 HD TRP 8 -1.806 -6.708 -4.220
46 HE1 TRP 8 1HE TRP 8 -1.464 -8.767 -2.715
47 HE3 TRP 8 3HE TRP 8 -1.265 -4.321 0.187
48 HZ2 TRP 8 2HZ TRP 8 -1.059 -9.284 0.068
49 HZ3 TRP 8 3HZ TRP 8 -0.985 -5.644 2.214
50 HH2 TRP 8 HH TRP 8 -0.870 -8.045 2.187
51 HB2 TRP 8 2HB TRP 8 -2.194 -4.172 -3.795
52 HB3 TRP 8 1HB TRP 8 -0.786 -3.726 -2.849
53 H THR 9 H THR 9 -2.469 -1.101 -0.709
54 HA THR 9 HA THR 9 -3.175 0.492 -3.057
55 HB THR 9 HB THR 9 -2.697 1.508 -0.282
56 HG1 THR 9 1HG THR 9 -4.740 -0.059 -1.177
57 HG21 THR 9 3HG2 THR 9 -4.219 3.308 -0.983
58 HG22 THR 9 1HG2 THR 9 -4.273 2.594 -2.598
59 HG23 THR 9 2HG2 THR 9 -2.749 3.217 -1.954
60 H GLU 10 H GLU 10 -1.918 2.305 -3.572
61 HA GLU 10 HA GLU 10 0.923 1.951 -2.988
62 HB2 GLU 10 2HB GLU 10 1.368 2.842 -5.215
63 HB3 GLU 10 1HB GLU 10 0.312 1.438 -5.298
64 HG2 GLU 10 2HG GLU 10 -1.624 2.959 -5.511
65 HG3 GLU 10 1HG GLU 10 -0.497 4.314 -5.579
66 H TYR 11 H TYR 11 1.783 3.516 -1.817
67 HA TYR 11 HA TYR 11 0.779 6.254 -2.215
68 HD1 TYR 11 1HD TYR 11 -0.217 8.105 -0.010
69 HD2 TYR 11 2HD TYR 11 -0.957 3.929 0.345
70 HE1 TYR 11 1HE TYR 11 -2.571 8.558 0.340
71 HE2 TYR 11 2HE TYR 11 -3.336 4.382 0.691
72 HH TYR 11 HH TYR 11 -4.755 6.284 1.500
73 HB2 TYR 11 2HB TYR 11 1.338 4.800 0.343
74 HB3 TYR 11 1HB TYR 11 1.639 6.531 0.273
75 H LYS 12 H LYS 12 2.314 7.102 -3.476
76 HA LYS 12 HA LYS 12 5.104 6.531 -2.978
77 HB2 LYS 12 2HB LYS 12 4.257 6.687 -5.299
78 HB3 LYS 12 1HB LYS 12 3.835 8.369 -5.012
79 HG2 LYS 12 2HG LYS 12 6.221 8.825 -4.536
80 HG3 LYS 12 1HG LYS 12 6.591 7.172 -5.012
81 HD2 LYS 12 2HD LYS 12 7.019 8.569 -6.899
82 HD3 LYS 12 1HD LYS 12 5.539 7.667 -7.238
83 HE2 LYS 12 2HE LYS 12 5.271 9.977 -7.904
84 HE3 LYS 12 1HE LYS 12 4.222 9.627 -6.529
85 HZ1 LYS 12 3HZ LYS 12 5.274 11.715 -6.155
86 HZ2 LYS 12 1HZ LYS 12 6.817 11.079 -6.475
87 HZ3 LYS 12 2HZ LYS 12 5.966 10.605 -5.088
88 H THR 13 H THR 13 6.111 7.582 -1.465
89 HA THR 13 HA THR 13 4.943 9.939 -0.312
90 HB THR 13 HB THR 13 6.597 9.655 1.438
91 HG1 THR 13 1HG THR 13 8.442 8.611 1.079
92 HG21 THR 13 3HG2 THR 13 4.587 8.000 1.098
93 HG22 THR 13 1HG2 THR 13 5.837 7.619 2.290
94 HG23 THR 13 2HG2 THR 13 5.863 6.831 0.716
95 H ALA 14 H ALA 14 6.799 11.583 0.481
96 HA ALA 14 HA ALA 14 7.575 13.025 -1.818
97 HB1 ALA 14 1HB ALA 14 8.478 13.344 1.044
98 HB2 ALA 14 2HB ALA 14 7.096 14.138 0.287
99 HB3 ALA 14 3HB ALA 14 8.733 14.517 -0.246
100 H ASP 15 H ASP 15 9.004 10.427 -0.222
101 HA ASP 15 HA ASP 15 11.740 10.949 -0.813
102 HB2 ASP 15 2HB ASP 15 10.400 8.279 -0.326
103 HB3 ASP 15 1HB ASP 15 12.119 8.633 -0.190
104 H GLY 16 H GLY 16 9.103 10.110 -2.714
105 HA2 GLY 16 2HA GLY 16 8.993 9.682 -4.988
106 HA3 GLY 16 1HA GLY 16 10.750 9.605 -5.033
107 H LYS 17 H LYS 17 9.357 7.667 -2.621
108 HA LYS 17 HA LYS 17 9.699 5.287 -4.319
109 HB2 LYS 17 2HB LYS 17 11.303 5.483 -2.451
110 HB3 LYS 17 1HB LYS 17 9.962 5.533 -1.318
111 HG2 LYS 17 2HG LYS 17 10.848 3.337 -1.277
112 HG3 LYS 17 1HG LYS 17 9.306 3.259 -2.122
113 HD2 LYS 17 2HD LYS 17 10.438 3.178 -4.261
114 HD3 LYS 17 1HD LYS 17 12.001 3.404 -3.470
115 HE2 LYS 17 2HE LYS 17 11.699 1.274 -2.288
116 HE3 LYS 17 1HE LYS 17 10.141 1.053 -3.085
117 HZ1 LYS 17 3HZ LYS 17 11.291 0.988 -5.218
118 HZ2 LYS 17 1HZ LYS 17 11.890 -0.213 -4.174
119 HZ3 LYS 17 2HZ LYS 17 12.787 1.204 -4.443
120 H THR 18 H THR 18 8.007 3.973 -4.610
121 HA THR 18 HA THR 18 5.472 4.671 -3.383
122 HB THR 18 HB THR 18 6.078 2.552 -5.451
123 HG1 THR 18 1HG THR 18 6.596 4.697 -6.171
124 HG21 THR 18 3HG2 THR 18 3.946 2.203 -4.307
125 HG22 THR 18 1HG2 THR 18 3.680 2.721 -5.973
126 HG23 THR 18 2HG2 THR 18 3.478 3.868 -4.650
127 H TYR 19 H TYR 19 5.007 3.798 -1.445
128 HA TYR 19 HA TYR 19 5.868 1.038 -0.933
129 HD1 TYR 19 2HD TYR 19 3.129 1.356 1.917
130 HD2 TYR 19 1HD TYR 19 5.250 4.996 1.186
131 HE1 TYR 19 2HE TYR 19 1.334 2.624 2.980
132 HE2 TYR 19 1HE TYR 19 3.466 6.253 2.269
133 HH TYR 19 HH TYR 19 1.134 4.872 4.184
134 HB2 TYR 19 2HB TYR 19 5.678 1.448 1.378
135 HB3 TYR 19 1HB TYR 19 6.330 2.947 0.753
136 H TYR 20 H TYR 20 4.298 -0.486 -0.064
137 HA TYR 20 HA TYR 20 1.565 0.153 -0.950
138 HD1 TYR 20 2HD TYR 20 4.739 -2.230 -2.026
139 HD2 TYR 20 1HD TYR 20 0.776 -1.464 -3.382
140 HE1 TYR 20 2HE TYR 20 5.551 -2.133 -4.346
141 HE2 TYR 20 1HE TYR 20 1.582 -1.359 -5.696
142 HH TYR 20 HH TYR 20 3.574 -0.997 -6.940
143 HB2 TYR 20 2HB TYR 20 2.751 -2.614 -0.555
144 HB3 TYR 20 1HB TYR 20 1.149 -2.231 -1.156
145 H TYR 21 H TYR 21 -0.060 0.015 0.500
146 HA TYR 21 HA TYR 21 0.803 -0.655 3.226
147 HD1 TYR 21 1HD TYR 21 2.003 1.608 4.324
148 HD2 TYR 21 2HD TYR 21 -2.227 1.226 4.972
149 HE1 TYR 21 1HE TYR 21 2.322 2.177 6.671
150 HE2 TYR 21 2HE TYR 21 -1.889 1.840 7.318
151 HH TYR 21 HH TYR 21 1.138 2.998 8.544
152 HB2 TYR 21 2HB TYR 21 0.232 1.820 2.445
153 HB3 TYR 21 1HB TYR 21 -1.401 1.286 2.787
154 H ASN 22 H ASN 22 -0.031 -2.420 3.785
155 HA ASN 22 HA ASN 22 -2.152 -3.679 2.405
156 HB2 ASN 22 2HB ASN 22 -0.304 -4.929 3.388
157 HB3 ASN 22 1HB ASN 22 -0.744 -4.365 4.995
158 HD21 ASN 22 1HD2 ASN 22 -3.072 -5.298 2.564
159 HD22 ASN 22 2HD2 ASN 22 -3.604 -6.744 3.351
160 H ASN 23 H ASN 23 -4.196 -3.024 2.648
161 HA ASN 23 HA ASN 23 -5.094 -1.912 5.149
162 HB2 ASN 23 2HB ASN 23 -5.859 -1.010 2.971
163 HB3 ASN 23 1HB ASN 23 -6.623 -2.550 2.606
164 HD21 ASN 23 1HD2 ASN 23 -6.733 0.269 4.688
165 HD22 ASN 23 2HD2 ASN 23 -8.391 0.103 5.142
166 H ARG 24 H ARG 24 -4.347 -4.942 4.449
167 HA ARG 24 HA ARG 24 -6.543 -6.588 4.740
168 HE ARG 24 HE ARG 24 -2.443 -8.284 5.709
169 HB2 ARG 24 2HB ARG 24 -4.403 -7.502 4.155
170 HB3 ARG 24 1HB ARG 24 -3.748 -7.067 5.724
171 HG2 ARG 24 2HG ARG 24 -5.197 -8.695 6.800
172 HG3 ARG 24 1HG ARG 24 -5.917 -9.102 5.240
173 HD2 ARG 24 2HD ARG 24 -4.104 -10.661 6.087
174 HD3 ARG 24 1HD ARG 24 -3.916 -10.049 4.443
175 HH11 ARG 24 1HH1 ARG 24 -2.593 -11.741 6.310
176 HH12 ARG 24 2HH1 ARG 24 -0.940 -11.839 6.820
177 HH21 ARG 24 1HH2 ARG 24 -0.285 -8.432 6.412
178 HH22 ARG 24 2HH2 ARG 24 0.368 -9.968 6.899
179 H THR 25 H THR 25 -4.323 -6.768 7.408
180 HA THR 25 HA THR 25 -6.468 -6.202 9.322
181 HB THR 25 HB THR 25 -5.184 -8.340 9.543
182 HG1 THR 25 1HG THR 25 -4.610 -6.735 11.816
183 HG21 THR 25 3HG2 THR 25 -2.878 -6.543 10.298
184 HG22 THR 25 1HG2 THR 25 -2.993 -7.492 8.815
185 HG23 THR 25 2HG2 THR 25 -2.901 -8.306 10.377
186 H LEU 26 H LEU 26 -5.243 -4.118 7.786
187 HA LEU 26 HA LEU 26 -4.033 -2.207 7.811
188 HG LEU 26 HG LEU 26 -2.725 -0.638 10.152
189 HB2 LEU 26 2HB LEU 26 -5.521 -1.711 9.738
190 HB3 LEU 26 1HB LEU 26 -4.317 -2.397 10.813
191 HD11 LEU 26 1HD1 LEU 26 -5.046 0.445 8.551
192 HD12 LEU 26 2HD1 LEU 26 -3.540 -0.203 7.898
193 HD13 LEU 26 3HD1 LEU 26 -3.522 1.283 8.845
194 HD21 LEU 26 3HD2 LEU 26 -3.838 1.196 11.303
195 HD22 LEU 26 1HD2 LEU 26 -4.171 -0.342 12.098
196 HD23 LEU 26 2HD2 LEU 26 -5.398 0.406 11.072
197 H GLU 27 H GLU 27 -2.255 -3.197 6.968
198 HA GLU 27 HA GLU 27 0.010 -3.668 8.796
199 HB2 GLU 27 2HB GLU 27 -0.953 -5.828 7.903
200 HB3 GLU 27 1HB GLU 27 -0.616 -5.248 6.284
201 HG2 GLU 27 2HG GLU 27 1.085 -6.795 7.013
202 HG3 GLU 27 1HG GLU 27 1.761 -5.178 6.788
203 H SER 28 H SER 28 2.092 -3.103 7.820
204 HA SER 28 HA SER 28 1.754 -1.486 5.382
205 HG SER 28 HG SER 28 1.517 -0.696 7.897
206 HB2 SER 28 2HB SER 28 4.093 -1.134 7.206
207 HB3 SER 28 1HB SER 28 3.336 0.027 6.091
208 H THR 29 H THR 29 3.177 -1.716 3.694
209 HA THR 29 HA THR 29 5.606 -3.201 4.183
210 HB THR 29 HB THR 29 4.265 -4.987 3.307
211 HG1 THR 29 1HG THR 29 5.447 -4.550 0.894
212 HG21 THR 29 3HG2 THR 29 2.482 -3.612 2.279
213 HG22 THR 29 1HG2 THR 29 3.035 -4.916 1.234
214 HG23 THR 29 2HG2 THR 29 3.566 -3.259 0.935
215 H TRP 30 H TRP 30 6.999 -2.923 2.096
216 HA TRP 30 HA TRP 30 6.726 -0.086 1.340
217 HD1 TRP 30 HD TRP 30 8.159 -0.669 4.597
218 HE1 TRP 30 1HE TRP 30 8.969 1.545 5.612
219 HE3 TRP 30 3HE TRP 30 9.624 1.696 0.336
220 HZ2 TRP 30 2HZ TRP 30 10.031 3.989 4.725
221 HZ3 TRP 30 3HZ TRP 30 10.492 3.986 0.492
222 HH2 TRP 30 HH TRP 30 10.676 5.123 2.652
223 HB2 TRP 30 2HB TRP 30 9.005 -1.800 2.107
224 HB3 TRP 30 1HB TRP 30 9.293 -0.622 0.837
225 H GLU 31 H GLU 31 8.382 -2.970 0.067
226 HA GLU 31 HA GLU 31 7.527 -2.143 -2.599
227 HB2 GLU 31 2HB GLU 31 9.563 -4.260 -1.862
228 HB3 GLU 31 1HB GLU 31 9.243 -3.609 -3.469
229 HG2 GLU 31 2HG GLU 31 9.889 -1.352 -2.547
230 HG3 GLU 31 1HG GLU 31 10.479 -2.200 -1.121
231 H LYS 32 H LYS 32 7.560 -4.539 -3.925
232 HA LYS 32 HA LYS 32 4.951 -5.320 -3.730
233 HB2 LYS 32 2HB LYS 32 7.334 -6.778 -4.826
234 HB3 LYS 32 1HB LYS 32 5.730 -7.488 -4.868
235 HG2 LYS 32 2HG LYS 32 4.951 -5.513 -6.157
236 HG3 LYS 32 1HG LYS 32 6.630 -4.958 -6.226
237 HD2 LYS 32 2HD LYS 32 7.308 -6.855 -7.461
238 HD3 LYS 32 1HD LYS 32 5.809 -7.715 -7.124
239 HE2 LYS 32 2HE LYS 32 5.708 -6.993 -9.381
240 HE3 LYS 32 1HE LYS 32 4.616 -5.962 -8.456
241 HZ1 LYS 32 3HZ LYS 32 6.155 -4.187 -8.534
242 HZ2 LYS 32 1HZ LYS 32 6.065 -4.807 -10.108
243 HZ3 LYS 32 2HZ LYS 32 7.397 -5.175 -9.130
244 HA PRO 33 HA PRO 33 4.620 -8.209 -0.214
245 HB2 PRO 33 2HB PRO 33 2.078 -8.473 -1.773
246 HB3 PRO 33 1HB PRO 33 2.305 -8.345 -0.029
247 HG2 PRO 33 2HG PRO 33 1.411 -6.281 -1.420
248 HG3 PRO 33 1HG PRO 33 2.572 -6.044 -0.100
249 HD2 PRO 33 2HD PRO 33 3.015 -5.982 -3.052
250 HD3 PRO 33 1HD PRO 33 3.778 -5.011 -1.776
251 H GLN 34 H GLN 34 4.511 -10.530 -0.296
252 HA GLN 34 HA GLN 34 5.757 -11.774 -2.436
253 HB2 GLN 34 2HB GLN 34 5.660 -12.801 -0.234
254 HB3 GLN 34 1HB GLN 34 3.918 -13.000 -0.373
255 HG2 GLN 34 2HG GLN 34 4.299 -14.510 -2.305
256 HG3 GLN 34 1HG GLN 34 6.031 -14.379 -2.013
257 HE21 GLN 34 1HE2 GLN 34 3.006 -15.600 -0.842
258 HE22 GLN 34 2HE2 GLN 34 3.672 -16.727 0.298
259 H GLU 35 H GLU 35 2.349 -11.282 -1.858
260 HA GLU 35 HA GLU 35 1.489 -13.032 -3.956
261 HB2 GLU 35 2HB GLU 35 -0.110 -10.893 -2.549
262 HB3 GLU 35 1HB GLU 35 -0.735 -12.289 -3.416
263 HG2 GLU 35 2HG GLU 35 0.740 -12.257 -0.796
264 HG3 GLU 35 1HG GLU 35 -0.927 -12.739 -1.101
265 H LEU 36 H LEU 36 2.458 -9.745 -3.737
266 HA LEU 36 HA LEU 36 1.017 -8.840 -6.052
267 HG LEU 36 HG LEU 36 2.619 -5.777 -6.071
268 HB2 LEU 36 2HB LEU 36 1.781 -7.554 -3.927
269 HB3 LEU 36 1HB LEU 36 3.317 -7.433 -4.747
270 HD11 LEU 36 1HD1 LEU 36 -0.088 -7.118 -6.274
271 HD12 LEU 36 2HD1 LEU 36 1.225 -7.260 -7.444
272 HD13 LEU 36 3HD1 LEU 36 0.435 -5.706 -7.194
273 HD21 LEU 36 3HD2 LEU 36 0.769 -4.462 -5.081
274 HD22 LEU 36 1HD2 LEU 36 1.905 -5.063 -3.867
275 HD23 LEU 36 2HD2 LEU 36 0.346 -5.865 -4.086
276 H LYS 37 H LYS 37 1.644 -9.506 -8.008
277 HA LYS 37 HA LYS 37 4.523 -9.812 -8.551
278 HB2 LYS 37 2HB LYS 37 2.291 -11.578 -9.580
279 HB3 LYS 37 1HB LYS 37 4.003 -11.774 -9.920
280 HG2 LYS 37 2HG LYS 37 4.459 -12.337 -7.632
281 HG3 LYS 37 1HG LYS 37 2.808 -11.947 -7.164
282 HD2 LYS 37 2HD LYS 37 3.581 -14.140 -9.076
283 HD3 LYS 37 1HD LYS 37 3.200 -14.380 -7.370
284 HE2 LYS 37 2HE LYS 37 1.334 -13.201 -9.430
285 HE3 LYS 37 1HE LYS 37 1.289 -14.869 -8.859
286 HZ1 LYS 37 3HZ LYS 37 0.652 -14.158 -6.703
287 HZ2 LYS 37 1HZ LYS 37 -0.330 -13.301 -7.786
288 HZ3 LYS 37 2HZ LYS 37 0.985 -12.533 -7.047
289 HA PRO 103 HA PRO 103 -9.693 10.037 1.083
290 HB2 PRO 103 2HB PRO 103 -10.359 11.218 3.706
291 HB3 PRO 103 1HB PRO 103 -11.268 11.255 2.191
292 HG2 PRO 103 2HG PRO 103 -12.073 9.765 4.265
293 HG3 PRO 103 1HG PRO 103 -12.278 9.212 2.592
294 HD2 PRO 103 2HD PRO 103 -10.220 8.407 4.616
295 HD3 PRO 103 1HD PRO 103 -11.101 7.405 3.445
296 H THR 104 H THR 104 -8.077 9.555 4.158
297 HA THR 104 HA THR 104 -6.052 11.549 3.397
298 HB THR 104 HB THR 104 -5.320 11.367 5.804
299 HG1 THR 104 1HG THR 104 -6.326 9.316 6.229
300 HG21 THR 104 3HG2 THR 104 -8.172 12.231 5.308
301 HG22 THR 104 1HG2 THR 104 -6.732 13.223 5.118
302 HG23 THR 104 2HG2 THR 104 -7.216 12.674 6.724
303 HA PRO 105 HA PRO 105 -3.356 8.077 2.730
304 HB2 PRO 105 2HB PRO 105 -0.953 9.238 2.828
305 HB3 PRO 105 1HB PRO 105 -2.102 9.642 1.558
306 HG2 PRO 105 2HG PRO 105 -1.503 11.150 4.075
307 HG3 PRO 105 1HG PRO 105 -1.657 11.766 2.420
308 HD2 PRO 105 2HD PRO 105 -3.681 11.882 4.243
309 HD3 PRO 105 1HD PRO 105 -3.952 11.758 2.491
310 HA PRO 106 HA PRO 106 -2.001 6.847 6.839
311 HB2 PRO 106 2HB PRO 106 -0.759 4.528 6.121
312 HB3 PRO 106 1HB PRO 106 -2.507 4.681 6.334
313 HG2 PRO 106 2HG PRO 106 -0.945 4.347 3.901
314 HG3 PRO 106 1HG PRO 106 -2.670 4.111 4.141
315 HD2 PRO 106 2HD PRO 106 -1.357 6.357 2.938
316 HD3 PRO 106 1HD PRO 106 -3.095 6.101 3.156
317 HA PRO 107 HA PRO 107 2.170 8.303 6.532
318 HB2 PRO 107 2HB PRO 107 2.867 7.292 9.157
319 HB3 PRO 107 1HB PRO 107 2.546 8.957 8.679
320 HG2 PRO 107 2HG PRO 107 0.913 7.499 10.337
321 HG3 PRO 107 1HG PRO 107 0.360 8.860 9.340
322 HD2 PRO 107 2HD PRO 107 0.104 5.921 8.854
323 HD3 PRO 107 1HD PRO 107 -1.056 7.225 8.521
324 H LEU 108 H LEU 108 4.259 7.479 6.174
325 HA LEU 108 HA LEU 108 4.170 4.736 5.327
326 HG LEU 108 HG LEU 108 7.531 5.132 5.288
327 HB2 LEU 108 2HB LEU 108 5.145 6.039 3.726
328 HB3 LEU 108 1HB LEU 108 5.884 7.118 4.863
329 HD11 LEU 108 1HD1 LEU 108 6.546 4.491 2.524
330 HD12 LEU 108 2HD1 LEU 108 6.161 3.543 3.954
331 HD13 LEU 108 3HD1 LEU 108 7.834 3.684 3.407
332 HD21 LEU 108 3HD2 LEU 108 8.115 7.287 4.298
333 HD22 LEU 108 1HD2 LEU 108 7.526 6.730 2.733
334 HD23 LEU 108 2HD2 LEU 108 8.937 5.961 3.477
335 HA PRO 109 HA PRO 109 6.416 3.063 8.771
336 HB2 PRO 109 2HB PRO 109 7.411 0.852 7.289
337 HB3 PRO 109 1HB PRO 109 6.013 0.890 8.358
338 HG2 PRO 109 2HG PRO 109 5.987 0.629 5.539
339 HG3 PRO 109 1HG PRO 109 4.622 0.832 6.601
340 HD2 PRO 109 2HD PRO 109 5.889 2.733 4.823
341 HD3 PRO 109 1HD PRO 109 4.308 2.807 5.599
342 HA PRO 110 HA PRO 110 10.741 3.828 7.783
343 HB2 PRO 110 2HB PRO 110 11.483 3.778 10.488
344 HB3 PRO 110 1HB PRO 110 11.029 5.211 9.562
345 HG2 PRO 110 2HG PRO 110 9.602 4.070 11.717
346 HG3 PRO 110 1HG PRO 110 9.037 5.344 10.628
347 HD2 PRO 110 2HD PRO 110 8.467 2.423 10.579
348 HD3 PRO 110 1HD PRO 110 7.441 3.787 10.081
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -12.935 -16.657 -0.761
2 H2 GLY 1 2HT GLY 1 -12.994 -18.212 -0.095
3 H3 GLY 1 3HT GLY 1 -14.002 -17.813 -1.396
4 HA2 GLY 1 1HA GLY 1 -11.040 -17.971 -1.476
5 HA3 GLY 1 2HA GLY 1 -12.145 -19.169 -2.134
6 H ALA 2 H ALA 2 -10.754 -16.004 -2.541
7 HA ALA 2 HA ALA 2 -11.942 -15.846 -5.238
8 HB1 ALA 2 1HB ALA 2 -12.878 -14.107 -3.809
9 HB2 ALA 2 2HB ALA 2 -11.843 -13.394 -5.046
10 HB3 ALA 2 3HB ALA 2 -11.255 -13.555 -3.392
11 H THR 3 H THR 3 -10.602 -15.144 -6.893
12 HA THR 3 HA THR 3 -7.786 -15.591 -6.445
13 HB THR 3 HB THR 3 -7.700 -15.213 -8.981
14 HG1 THR 3 1HG THR 3 -9.525 -14.783 -9.973
15 HG21 THR 3 3HG2 THR 3 -8.540 -17.465 -9.445
16 HG22 THR 3 1HG2 THR 3 -9.367 -17.486 -7.884
17 HG23 THR 3 2HG2 THR 3 -7.605 -17.433 -7.953
18 H ALA 4 H ALA 4 -9.576 -13.047 -5.926
19 HA ALA 4 HA ALA 4 -7.980 -11.007 -7.228
20 HB1 ALA 4 1HB ALA 4 -10.378 -10.616 -6.947
21 HB2 ALA 4 2HB ALA 4 -9.447 -9.420 -6.044
22 HB3 ALA 4 3HB ALA 4 -10.211 -10.766 -5.199
23 H VAL 5 H VAL 5 -6.587 -9.600 -6.132
24 HA VAL 5 HA VAL 5 -5.273 -10.797 -3.858
25 HB VAL 5 HB VAL 5 -3.648 -8.963 -4.040
26 HG11 VAL 5 1HG1 VAL 5 -3.287 -10.914 -5.387
27 HG12 VAL 5 2HG1 VAL 5 -2.825 -9.488 -6.317
28 HG13 VAL 5 3HG1 VAL 5 -4.359 -10.294 -6.642
29 HG21 VAL 5 3HG2 VAL 5 -5.266 -7.949 -6.369
30 HG22 VAL 5 1HG2 VAL 5 -3.788 -7.247 -5.702
31 HG23 VAL 5 2HG2 VAL 5 -5.285 -7.219 -4.764
32 H SER 6 H SER 6 -4.524 -9.162 -2.110
33 HA SER 6 HA SER 6 -6.901 -8.174 -0.837
34 HG SER 6 HG SER 6 -4.491 -10.170 -0.070
35 HB2 SER 6 2HB SER 6 -4.030 -8.032 0.081
36 HB3 SER 6 1HB SER 6 -5.461 -7.769 1.079
37 H GLU 7 H GLU 7 -6.212 -6.026 0.558
38 HA GLU 7 HA GLU 7 -6.561 -4.060 -1.495
39 HB2 GLU 7 2HB GLU 7 -6.442 -3.774 1.513
40 HB3 GLU 7 1HB GLU 7 -6.882 -2.494 0.389
41 HG2 GLU 7 2HG GLU 7 -8.814 -3.828 -0.346
42 HG3 GLU 7 1HG GLU 7 -8.385 -5.071 0.829
43 H TRP 8 H TRP 8 -4.859 -3.482 -2.542
44 HA TRP 8 HA TRP 8 -2.367 -2.892 -1.063
45 HD1 TRP 8 HD TRP 8 -2.504 -6.420 -4.380
46 HE1 TRP 8 1HE TRP 8 -2.405 -8.500 -2.844
47 HE3 TRP 8 3HE TRP 8 -1.594 -4.084 0.006
48 HZ2 TRP 8 2HZ TRP 8 -2.004 -9.035 -0.091
49 HZ3 TRP 8 3HZ TRP 8 -1.413 -5.426 2.052
50 HH2 TRP 8 HH TRP 8 -1.621 -7.838 2.015
51 HB2 TRP 8 2HB TRP 8 -2.594 -3.858 -3.944
52 HB3 TRP 8 1HB TRP 8 -1.104 -3.581 -3.057
53 H THR 9 H THR 9 -2.503 -0.753 -0.898
54 HA THR 9 HA THR 9 -3.070 0.893 -3.258
55 HB THR 9 HB THR 9 -2.522 1.896 -0.497
56 HG1 THR 9 1HG THR 9 -4.244 0.495 -0.205
57 HG21 THR 9 3HG2 THR 9 -3.960 3.768 -1.194
58 HG22 THR 9 1HG2 THR 9 -4.082 3.033 -2.795
59 HG23 THR 9 2HG2 THR 9 -2.515 3.579 -2.188
60 H GLU 10 H GLU 10 -1.609 2.498 -3.842
61 HA GLU 10 HA GLU 10 1.105 2.187 -2.791
62 HB2 GLU 10 2HB GLU 10 2.013 2.832 -4.883
63 HB3 GLU 10 1HB GLU 10 0.782 1.626 -5.220
64 HG2 GLU 10 2HG GLU 10 -0.613 3.111 -6.241
65 HG3 GLU 10 1HG GLU 10 0.027 4.495 -5.356
66 H TYR 11 H TYR 11 2.038 3.907 -1.889
67 HA TYR 11 HA TYR 11 0.750 6.523 -2.261
68 HD1 TYR 11 2HD TYR 11 -0.111 8.407 -0.073
69 HD2 TYR 11 1HD TYR 11 -0.759 4.238 0.393
70 HE1 TYR 11 2HE TYR 11 -2.457 8.832 0.376
71 HE2 TYR 11 1HE TYR 11 -3.126 4.648 0.824
72 HH TYR 11 HH TYR 11 -4.566 6.430 1.604
73 HB2 TYR 11 2HB TYR 11 1.501 5.138 0.273
74 HB3 TYR 11 1HB TYR 11 1.768 6.875 0.192
75 H LYS 12 H LYS 12 2.061 8.041 -3.022
76 HA LYS 12 HA LYS 12 4.916 7.549 -3.064
77 HB2 LYS 12 2HB LYS 12 3.101 9.466 -4.422
78 HB3 LYS 12 1HB LYS 12 4.752 10.004 -4.122
79 HG2 LYS 12 2HG LYS 12 5.337 8.950 -5.969
80 HG3 LYS 12 1HG LYS 12 5.018 7.437 -5.112
81 HD2 LYS 12 2HD LYS 12 2.719 7.452 -5.915
82 HD3 LYS 12 1HD LYS 12 2.973 9.021 -6.676
83 HE2 LYS 12 2HE LYS 12 3.137 7.509 -8.441
84 HE3 LYS 12 1HE LYS 12 4.817 7.853 -8.029
85 HZ1 LYS 12 3HZ LYS 12 3.273 5.476 -7.128
86 HZ2 LYS 12 1HZ LYS 12 4.909 5.784 -6.787
87 HZ3 LYS 12 2HZ LYS 12 4.418 5.483 -8.377
88 H THR 13 H THR 13 6.338 8.429 -1.837
89 HA THR 13 HA THR 13 5.272 10.020 0.402
90 HB THR 13 HB THR 13 6.946 9.011 1.813
91 HG1 THR 13 1HG THR 13 8.664 8.006 1.036
92 HG21 THR 13 3HG2 THR 13 6.298 6.589 1.564
93 HG22 THR 13 1HG2 THR 13 5.487 7.032 0.064
94 HG23 THR 13 2HG2 THR 13 4.936 7.718 1.592
95 H ALA 14 H ALA 14 7.141 11.207 1.609
96 HA ALA 14 HA ALA 14 8.119 13.240 -0.085
97 HB1 ALA 14 1HB ALA 14 9.261 14.094 1.885
98 HB2 ALA 14 2HB ALA 14 9.009 12.560 2.720
99 HB3 ALA 14 3HB ALA 14 7.627 13.574 2.300
100 H ASP 15 H ASP 15 9.357 10.161 0.699
101 HA ASP 15 HA ASP 15 12.136 10.683 0.241
102 HB2 ASP 15 2HB ASP 15 10.725 8.025 -0.038
103 HB3 ASP 15 1HB ASP 15 12.424 8.313 0.324
104 H GLY 16 H GLY 16 9.437 10.481 -1.756
105 HA2 GLY 16 2HA GLY 16 9.245 10.488 -4.067
106 HA3 GLY 16 1HA GLY 16 10.996 10.307 -4.175
107 H LYS 17 H LYS 17 9.503 8.135 -2.072
108 HA LYS 17 HA LYS 17 9.955 5.964 -3.968
109 HB2 LYS 17 2HB LYS 17 9.562 5.898 -0.964
110 HB3 LYS 17 1HB LYS 17 9.833 4.489 -1.976
111 HG2 LYS 17 2HG LYS 17 12.018 5.488 -2.647
112 HG3 LYS 17 1HG LYS 17 11.743 6.740 -1.433
113 HD2 LYS 17 2HD LYS 17 11.742 5.143 0.328
114 HD3 LYS 17 1HD LYS 17 11.722 3.798 -0.815
115 HE2 LYS 17 2HE LYS 17 13.945 4.027 0.081
116 HE3 LYS 17 1HE LYS 17 13.963 4.506 -1.613
117 HZ1 LYS 17 3HZ LYS 17 13.986 6.808 -0.947
118 HZ2 LYS 17 1HZ LYS 17 15.254 5.988 -0.183
119 HZ3 LYS 17 2HZ LYS 17 13.857 6.383 0.691
120 H THR 18 H THR 18 8.440 4.075 -3.717
121 HA THR 18 HA THR 18 5.667 5.011 -3.381
122 HB THR 18 HB THR 18 6.685 3.003 -5.419
123 HG1 THR 18 1HG THR 18 7.171 5.156 -6.005
124 HG21 THR 18 3HG2 THR 18 4.392 3.018 -6.284
125 HG22 THR 18 1HG2 THR 18 3.901 4.100 -4.987
126 HG23 THR 18 2HG2 THR 18 4.432 2.460 -4.611
127 H TYR 19 H TYR 19 5.188 4.152 -1.394
128 HA TYR 19 HA TYR 19 5.886 1.339 -0.970
129 HD1 TYR 19 1HD TYR 19 3.221 1.447 1.827
130 HD2 TYR 19 2HD TYR 19 5.261 5.165 1.437
131 HE1 TYR 19 1HE TYR 19 1.438 2.567 3.065
132 HE2 TYR 19 2HE TYR 19 3.481 6.287 2.666
133 HH TYR 19 HH TYR 19 1.250 6.035 3.342
134 HB2 TYR 19 2HB TYR 19 5.743 1.631 1.325
135 HB3 TYR 19 1HB TYR 19 6.360 3.187 0.799
136 H TYR 20 H TYR 20 4.296 -0.116 -0.152
137 HA TYR 20 HA TYR 20 1.595 0.492 -1.107
138 HD1 TYR 20 2HD TYR 20 0.936 -1.027 -3.478
139 HD2 TYR 20 1HD TYR 20 4.837 -1.996 -2.067
140 HE1 TYR 20 2HE TYR 20 1.782 -0.995 -5.783
141 HE2 TYR 20 1HE TYR 20 5.680 -1.973 -4.365
142 HH TYR 20 HH TYR 20 4.871 -2.211 -6.612
143 HB2 TYR 20 2HB TYR 20 2.965 -2.160 -0.607
144 HB3 TYR 20 1HB TYR 20 1.326 -1.950 -1.189
145 H TYR 21 H TYR 21 -0.075 0.307 0.334
146 HA TYR 21 HA TYR 21 0.743 -0.442 3.059
147 HD1 TYR 21 1HD TYR 21 1.852 1.350 4.350
148 HD2 TYR 21 2HD TYR 21 -2.413 1.725 4.791
149 HE1 TYR 21 1HE TYR 21 2.124 1.867 6.724
150 HE2 TYR 21 2HE TYR 21 -2.099 2.264 7.153
151 HH TYR 21 HH TYR 21 0.924 3.004 8.524
152 HB2 TYR 21 2HB TYR 21 -0.028 2.035 2.358
153 HB3 TYR 21 1HB TYR 21 -1.601 1.331 2.708
154 H ASN 22 H ASN 22 -0.024 -2.246 3.603
155 HA ASN 22 HA ASN 22 -2.047 -3.648 2.217
156 HB2 ASN 22 2HB ASN 22 -0.168 -4.770 3.304
157 HB3 ASN 22 1HB ASN 22 -0.632 -4.117 4.863
158 HD21 ASN 22 1HD2 ASN 22 -0.185 -6.869 4.076
159 HD22 ASN 22 2HD2 ASN 22 -1.650 -7.718 4.424
160 H ASN 23 H ASN 23 -3.936 -2.381 2.322
161 HA ASN 23 HA ASN 23 -4.988 -1.473 4.824
162 HB2 ASN 23 2HB ASN 23 -6.313 -1.734 2.109
163 HB3 ASN 23 1HB ASN 23 -7.072 -0.997 3.514
164 HD21 ASN 23 1HD2 ASN 23 -6.650 0.288 1.050
165 HD22 ASN 23 2HD2 ASN 23 -5.544 1.595 1.314
166 H ARG 24 H ARG 24 -4.777 -4.469 3.371
167 HA ARG 24 HA ARG 24 -7.209 -5.688 3.970
168 HE ARG 24 HE ARG 24 -6.760 -10.795 4.264
169 HB2 ARG 24 2HB ARG 24 -5.411 -6.629 2.507
170 HB3 ARG 24 1HB ARG 24 -4.525 -7.046 3.967
171 HG2 ARG 24 2HG ARG 24 -7.319 -8.035 3.462
172 HG3 ARG 24 1HG ARG 24 -5.904 -8.876 2.834
173 HD2 ARG 24 2HD ARG 24 -5.044 -9.134 5.100
174 HD3 ARG 24 1HD ARG 24 -6.435 -8.264 5.739
175 HH11 ARG 24 1HH1 ARG 24 -7.265 -8.829 7.121
176 HH12 ARG 24 2HH1 ARG 24 -8.306 -9.978 7.897
177 HH21 ARG 24 1HH2 ARG 24 -8.155 -12.308 5.278
178 HH22 ARG 24 2HH2 ARG 24 -8.810 -11.967 6.847
179 H THR 25 H THR 25 -4.163 -5.969 5.760
180 HA THR 25 HA THR 25 -5.609 -6.746 8.171
181 HB THR 25 HB THR 25 -2.624 -6.699 7.810
182 HG1 THR 25 1HG THR 25 -3.671 -9.110 7.203
183 HG21 THR 25 3HG2 THR 25 -2.721 -8.625 9.288
184 HG22 THR 25 1HG2 THR 25 -4.481 -8.555 9.282
185 HG23 THR 25 2HG2 THR 25 -3.551 -7.248 10.009
186 H LEU 26 H LEU 26 -4.804 -3.897 6.891
187 HA LEU 26 HA LEU 26 -3.858 -1.924 7.450
188 HG LEU 26 HG LEU 26 -6.549 -2.293 8.916
189 HB2 LEU 26 2HB LEU 26 -4.623 -2.901 10.195
190 HB3 LEU 26 1HB LEU 26 -3.881 -1.330 9.929
191 HD11 LEU 26 1HD1 LEU 26 -7.429 -0.432 10.191
192 HD12 LEU 26 2HD1 LEU 26 -5.797 0.053 10.651
193 HD13 LEU 26 3HD1 LEU 26 -6.461 -1.474 11.241
194 HD21 LEU 26 3HD2 LEU 26 -6.756 -0.174 7.735
195 HD22 LEU 26 1HD2 LEU 26 -5.351 -1.066 7.137
196 HD23 LEU 26 2HD2 LEU 26 -5.130 0.293 8.244
197 H GLU 27 H GLU 27 -2.259 -3.764 6.730
198 HA GLU 27 HA GLU 27 0.070 -3.796 8.522
199 HB2 GLU 27 2HB GLU 27 -0.760 -6.005 7.758
200 HB3 GLU 27 1HB GLU 27 -0.628 -5.480 6.093
201 HG2 GLU 27 2HG GLU 27 1.189 -6.947 6.666
202 HG3 GLU 27 1HG GLU 27 1.790 -5.322 6.327
203 H SER 28 H SER 28 2.203 -3.543 7.216
204 HA SER 28 HA SER 28 1.717 -1.662 5.005
205 HG SER 28 HG SER 28 4.530 -2.793 6.653
206 HB2 SER 28 2HB SER 28 3.893 -0.656 5.480
207 HB3 SER 28 1HB SER 28 2.818 -0.583 6.884
208 H THR 29 H THR 29 3.129 -1.700 3.219
209 HA THR 29 HA THR 29 5.018 -3.905 2.981
210 HB THR 29 HB THR 29 4.047 -4.000 0.491
211 HG1 THR 29 1HG THR 29 2.354 -2.422 1.317
212 HG21 THR 29 3HG2 THR 29 2.700 -5.424 2.761
213 HG22 THR 29 1HG2 THR 29 4.323 -5.814 2.178
214 HG23 THR 29 2HG2 THR 29 2.926 -6.004 1.108
215 H TRP 30 H TRP 30 6.841 -2.833 2.666
216 HA TRP 30 HA TRP 30 6.849 -0.107 1.790
217 HD1 TRP 30 HD TRP 30 8.047 -0.648 5.242
218 HE1 TRP 30 1HE TRP 30 8.822 1.641 6.119
219 HE3 TRP 30 3HE TRP 30 9.798 1.354 0.888
220 HZ2 TRP 30 2HZ TRP 30 10.000 3.986 5.099
221 HZ3 TRP 30 3HZ TRP 30 10.717 3.627 0.915
222 HH2 TRP 30 HH TRP 30 10.797 4.930 2.980
223 HB2 TRP 30 2HB TRP 30 8.680 -1.984 2.990
224 HB3 TRP 30 1HB TRP 30 9.468 -1.081 1.704
225 H GLU 31 H GLU 31 8.294 -3.058 0.409
226 HA GLU 31 HA GLU 31 7.898 -1.834 -2.218
227 HB2 GLU 31 2HB GLU 31 9.641 -4.130 -1.332
228 HB3 GLU 31 1HB GLU 31 9.299 -3.794 -3.023
229 HG2 GLU 31 2HG GLU 31 11.132 -2.531 -2.948
230 HG3 GLU 31 1HG GLU 31 10.102 -1.348 -2.150
231 H LYS 32 H LYS 32 7.587 -4.039 -3.815
232 HA LYS 32 HA LYS 32 4.876 -4.406 -3.817
233 HB2 LYS 32 2HB LYS 32 7.002 -6.236 -4.937
234 HB3 LYS 32 1HB LYS 32 5.287 -6.369 -5.310
235 HG2 LYS 32 2HG LYS 32 5.350 -4.096 -6.263
236 HG3 LYS 32 1HG LYS 32 7.091 -4.044 -5.958
237 HD2 LYS 32 2HD LYS 32 7.485 -5.852 -7.461
238 HD3 LYS 32 1HD LYS 32 5.760 -6.187 -7.603
239 HE2 LYS 32 2HE LYS 32 5.485 -3.931 -8.633
240 HE3 LYS 32 1HE LYS 32 7.241 -3.777 -8.633
241 HZ1 LYS 32 3HZ LYS 32 5.838 -6.042 -9.929
242 HZ2 LYS 32 1HZ LYS 32 7.448 -5.551 -10.145
243 HZ3 LYS 32 2HZ LYS 32 6.184 -4.599 -10.751
244 HA PRO 33 HA PRO 33 4.013 -7.259 -0.473
245 HB2 PRO 33 2HB PRO 33 1.508 -7.547 -2.039
246 HB3 PRO 33 1HB PRO 33 1.726 -7.141 -0.332
247 HG2 PRO 33 2HG PRO 33 1.005 -5.285 -2.104
248 HG3 PRO 33 1HG PRO 33 2.136 -4.902 -0.790
249 HD2 PRO 33 2HD PRO 33 2.690 -5.425 -3.684
250 HD3 PRO 33 1HD PRO 33 3.427 -4.236 -2.589
251 H GLN 34 H GLN 34 3.314 -9.508 -0.305
252 HA GLN 34 HA GLN 34 4.775 -11.138 -2.073
253 HB2 GLN 34 2HB GLN 34 2.701 -11.960 -0.028
254 HB3 GLN 34 1HB GLN 34 3.886 -13.020 -0.771
255 HG2 GLN 34 2HG GLN 34 4.922 -12.602 1.209
256 HG3 GLN 34 1HG GLN 34 5.593 -11.298 0.235
257 HE21 GLN 34 1HE2 GLN 34 5.272 -11.494 3.128
258 HE22 GLN 34 2HE2 GLN 34 4.320 -10.121 3.592
259 H GLU 35 H GLU 35 1.349 -10.390 -1.864
260 HA GLU 35 HA GLU 35 0.555 -12.383 -3.776
261 HB2 GLU 35 2HB GLU 35 -0.937 -9.918 -2.853
262 HB3 GLU 35 1HB GLU 35 -1.630 -11.286 -3.707
263 HG2 GLU 35 2HG GLU 35 -1.156 -12.719 -1.785
264 HG3 GLU 35 1HG GLU 35 -0.468 -11.336 -0.932
265 H LEU 36 H LEU 36 1.541 -9.059 -3.837
266 HA LEU 36 HA LEU 36 0.309 -8.507 -6.377
267 HG LEU 36 HG LEU 36 1.764 -5.516 -6.486
268 HB2 LEU 36 2HB LEU 36 0.260 -7.030 -4.387
269 HB3 LEU 36 1HB LEU 36 1.988 -6.815 -4.554
270 HD11 LEU 36 1HD1 LEU 36 -1.125 -6.415 -6.614
271 HD12 LEU 36 2HD1 LEU 36 0.166 -6.903 -7.712
272 HD13 LEU 36 3HD1 LEU 36 -0.375 -5.225 -7.678
273 HD21 LEU 36 3HD2 LEU 36 -0.587 -4.877 -4.715
274 HD22 LEU 36 1HD2 LEU 36 0.309 -3.742 -5.733
275 HD23 LEU 36 2HD2 LEU 36 1.094 -4.496 -4.341
276 H LYS 37 H LYS 37 1.330 -9.086 -8.163
277 HA LYS 37 HA LYS 37 4.159 -9.428 -8.380
278 HB2 LYS 37 2HB LYS 37 2.579 -10.760 -9.734
279 HB3 LYS 37 1HB LYS 37 2.049 -9.295 -10.548
280 HG2 LYS 37 2HG LYS 37 3.563 -10.415 -11.989
281 HG3 LYS 37 1HG LYS 37 4.387 -8.985 -11.366
282 HD2 LYS 37 2HD LYS 37 5.427 -10.456 -9.626
283 HD3 LYS 37 1HD LYS 37 4.744 -11.842 -10.476
284 HE2 LYS 37 2HE LYS 37 6.953 -11.660 -11.256
285 HE3 LYS 37 1HE LYS 37 5.947 -10.983 -12.537
286 HZ1 LYS 37 3HZ LYS 37 7.398 -9.393 -10.484
287 HZ2 LYS 37 1HZ LYS 37 6.485 -8.762 -11.765
288 HZ3 LYS 37 2HZ LYS 37 7.913 -9.617 -12.083
289 HA PRO 103 HA PRO 103 -9.040 10.323 3.195
290 HB2 PRO 103 2HB PRO 103 -8.333 10.940 0.393
291 HB3 PRO 103 1HB PRO 103 -9.021 9.467 1.083
292 HG2 PRO 103 2HG PRO 103 -10.502 11.110 -0.417
293 HG3 PRO 103 1HG PRO 103 -11.190 10.282 0.996
294 HD2 PRO 103 2HD PRO 103 -10.227 13.112 0.740
295 HD3 PRO 103 1HD PRO 103 -11.696 12.492 1.522
296 H THR 104 H THR 104 -7.538 11.297 4.583
297 HA THR 104 HA THR 104 -5.225 12.604 3.419
298 HB THR 104 HB THR 104 -4.355 12.383 5.822
299 HG1 THR 104 1HG THR 104 -5.950 10.677 6.321
300 HG21 THR 104 3HG2 THR 104 -5.307 14.475 4.969
301 HG22 THR 104 1HG2 THR 104 -5.760 14.216 6.653
302 HG23 THR 104 2HG2 THR 104 -6.926 13.903 5.370
303 HA PRO 105 HA PRO 105 -3.123 8.787 2.761
304 HB2 PRO 105 2HB PRO 105 -0.566 9.570 2.687
305 HB3 PRO 105 1HB PRO 105 -1.718 10.078 1.451
306 HG2 PRO 105 2HG PRO 105 -0.726 11.595 3.836
307 HG3 PRO 105 1HG PRO 105 -0.935 12.153 2.165
308 HD2 PRO 105 2HD PRO 105 -2.757 12.633 4.140
309 HD3 PRO 105 1HD PRO 105 -3.188 12.495 2.426
310 HA PRO 106 HA PRO 106 -1.889 7.433 6.821
311 HB2 PRO 106 2HB PRO 106 -0.996 4.949 6.227
312 HB3 PRO 106 1HB PRO 106 -2.712 5.367 6.236
313 HG2 PRO 106 2HG PRO 106 -0.914 4.852 3.980
314 HG3 PRO 106 1HG PRO 106 -2.669 4.715 4.047
315 HD2 PRO 106 2HD PRO 106 -1.143 6.859 2.941
316 HD3 PRO 106 1HD PRO 106 -2.899 6.764 3.104
317 HA PRO 107 HA PRO 107 2.377 8.413 6.690
318 HB2 PRO 107 2HB PRO 107 3.198 7.711 9.181
319 HB3 PRO 107 1HB PRO 107 2.170 9.119 8.891
320 HG2 PRO 107 2HG PRO 107 1.441 6.414 9.912
321 HG3 PRO 107 1HG PRO 107 0.797 8.001 10.371
322 HD2 PRO 107 2HD PRO 107 -0.458 6.234 8.659
323 HD3 PRO 107 1HD PRO 107 -0.750 7.981 8.696
324 H LEU 108 H LEU 108 4.370 7.461 6.394
325 HA LEU 108 HA LEU 108 4.156 4.729 5.557
326 HG LEU 108 HG LEU 108 7.535 4.933 5.559
327 HB2 LEU 108 2HB LEU 108 5.216 6.028 4.011
328 HB3 LEU 108 1HB LEU 108 6.015 7.014 5.188
329 HD11 LEU 108 1HD1 LEU 108 6.102 3.405 4.262
330 HD12 LEU 108 2HD1 LEU 108 7.741 3.509 3.619
331 HD13 LEU 108 3HD1 LEU 108 6.425 4.368 2.821
332 HD21 LEU 108 3HD2 LEU 108 8.928 5.665 3.649
333 HD22 LEU 108 1HD2 LEU 108 8.310 7.005 4.618
334 HD23 LEU 108 2HD2 LEU 108 7.558 6.620 3.072
335 HA PRO 109 HA PRO 109 6.091 2.946 9.108
336 HB2 PRO 109 2HB PRO 109 7.073 0.687 7.710
337 HB3 PRO 109 1HB PRO 109 5.592 0.807 8.654
338 HG2 PRO 109 2HG PRO 109 5.826 0.573 5.824
339 HG3 PRO 109 1HG PRO 109 4.377 0.768 6.780
340 HD2 PRO 109 2HD PRO 109 5.729 2.673 5.112
341 HD3 PRO 109 1HD PRO 109 4.152 2.789 5.882
342 HA PRO 110 HA PRO 110 10.481 3.637 8.854
343 HB2 PRO 110 2HB PRO 110 10.898 1.876 11.122
344 HB3 PRO 110 1HB PRO 110 11.002 3.636 11.062
345 HG2 PRO 110 2HG PRO 110 9.041 2.293 12.403
346 HG3 PRO 110 1HG PRO 110 8.818 3.913 11.718
347 HD2 PRO 110 2HD PRO 110 7.953 1.259 10.636
348 HD3 PRO 110 1HD PRO 110 7.090 2.812 10.639
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -12.172 -20.453 -1.925
2 H2 GLY 1 2HT GLY 1 -13.738 -20.475 -2.576
3 H3 GLY 1 3HT GLY 1 -12.635 -19.281 -3.060
4 HA2 GLY 1 1HA GLY 1 -12.337 -22.188 -3.561
5 HA3 GLY 1 2HA GLY 1 -12.903 -21.016 -4.744
6 H ALA 2 H ALA 2 -11.367 -19.081 -5.006
7 HA ALA 2 HA ALA 2 -8.607 -20.114 -5.158
8 HB1 ALA 2 1HB ALA 2 -8.288 -18.604 -7.061
9 HB2 ALA 2 2HB ALA 2 -9.949 -18.037 -6.896
10 HB3 ALA 2 3HB ALA 2 -9.636 -19.710 -7.348
11 H THR 3 H THR 3 -6.920 -18.771 -4.555
12 HA THR 3 HA THR 3 -7.347 -17.147 -2.332
13 HB THR 3 HB THR 3 -4.895 -17.035 -4.094
14 HG1 THR 3 1HG THR 3 -4.898 -18.782 -1.941
15 HG21 THR 3 3HG2 THR 3 -5.021 -15.389 -2.271
16 HG22 THR 3 1HG2 THR 3 -3.753 -16.580 -1.971
17 HG23 THR 3 2HG2 THR 3 -5.290 -16.691 -1.116
18 H ALA 4 H ALA 4 -8.586 -15.350 -2.523
19 HA ALA 4 HA ALA 4 -7.947 -13.348 -4.541
20 HB1 ALA 4 1HB ALA 4 -9.780 -12.054 -3.478
21 HB2 ALA 4 2HB ALA 4 -9.974 -13.343 -2.291
22 HB3 ALA 4 3HB ALA 4 -10.294 -13.659 -3.996
23 H VAL 5 H VAL 5 -6.537 -11.711 -4.157
24 HA VAL 5 HA VAL 5 -5.072 -11.822 -1.686
25 HB VAL 5 HB VAL 5 -3.587 -10.136 -2.663
26 HG11 VAL 5 1HG1 VAL 5 -2.724 -11.504 -4.490
27 HG12 VAL 5 2HG1 VAL 5 -4.251 -12.386 -4.556
28 HG13 VAL 5 3HG1 VAL 5 -3.224 -12.501 -3.126
29 HG21 VAL 5 3HG2 VAL 5 -5.397 -10.213 -5.079
30 HG22 VAL 5 1HG2 VAL 5 -3.889 -9.307 -4.918
31 HG23 VAL 5 2HG2 VAL 5 -5.290 -8.875 -3.933
32 H SER 6 H SER 6 -4.366 -9.615 -0.747
33 HA SER 6 HA SER 6 -6.765 -8.502 0.331
34 HG SER 6 HG SER 6 -5.733 -9.769 1.992
35 HB2 SER 6 2HB SER 6 -3.903 -7.871 0.945
36 HB3 SER 6 1HB SER 6 -5.305 -7.390 1.906
37 H GLU 7 H GLU 7 -6.398 -6.090 0.995
38 HA GLU 7 HA GLU 7 -6.712 -4.669 -1.463
39 HB2 GLU 7 2HB GLU 7 -6.693 -3.664 1.394
40 HB3 GLU 7 1HB GLU 7 -7.240 -2.764 -0.013
41 HG2 GLU 7 2HG GLU 7 -9.074 -4.296 -0.338
42 HG3 GLU 7 1HG GLU 7 -8.495 -5.314 0.981
43 H TRP 8 H TRP 8 -5.141 -3.859 -2.494
44 HA TRP 8 HA TRP 8 -2.583 -3.298 -1.120
45 HD1 TRP 8 HD TRP 8 -2.783 -6.877 -4.331
46 HE1 TRP 8 1HE TRP 8 -2.418 -8.920 -2.817
47 HE3 TRP 8 3HE TRP 8 -1.755 -4.460 -0.019
48 HZ2 TRP 8 2HZ TRP 8 -1.779 -9.417 -0.091
49 HZ3 TRP 8 3HZ TRP 8 -1.335 -5.770 2.003
50 HH2 TRP 8 HH TRP 8 -1.337 -8.172 1.981
51 HB2 TRP 8 2HB TRP 8 -3.004 -4.340 -3.947
52 HB3 TRP 8 1HB TRP 8 -1.450 -3.980 -3.217
53 H THR 9 H THR 9 -2.490 -1.190 -0.994
54 HA THR 9 HA THR 9 -3.358 0.476 -3.260
55 HB THR 9 HB THR 9 -2.738 1.395 -0.465
56 HG1 THR 9 1HG THR 9 -4.546 -0.209 -0.716
57 HG21 THR 9 3HG2 THR 9 -2.750 3.189 -2.046
58 HG22 THR 9 1HG2 THR 9 -4.207 3.286 -1.057
59 HG23 THR 9 2HG2 THR 9 -4.303 2.654 -2.701
60 H GLU 10 H GLU 10 -2.088 2.367 -3.677
61 HA GLU 10 HA GLU 10 0.784 1.936 -3.280
62 HB2 GLU 10 2HB GLU 10 1.166 2.961 -5.430
63 HB3 GLU 10 1HB GLU 10 -0.049 1.704 -5.628
64 HG2 GLU 10 2HG GLU 10 -1.801 3.461 -5.552
65 HG3 GLU 10 1HG GLU 10 -0.523 4.673 -5.508
66 H TYR 11 H TYR 11 1.780 3.466 -2.088
67 HA TYR 11 HA TYR 11 0.619 6.166 -2.138
68 HD1 TYR 11 1HD TYR 11 -0.304 7.763 0.132
69 HD2 TYR 11 2HD TYR 11 -0.645 3.546 0.469
70 HE1 TYR 11 1HE TYR 11 -2.649 8.011 0.710
71 HE2 TYR 11 2HE TYR 11 -3.003 3.778 1.053
72 HH TYR 11 HH TYR 11 -4.724 6.704 0.665
73 HB2 TYR 11 2HB TYR 11 1.519 4.559 0.220
74 HB3 TYR 11 1HB TYR 11 1.704 6.309 0.260
75 H LYS 12 H LYS 12 1.900 7.341 -3.287
76 HA LYS 12 HA LYS 12 4.759 6.933 -3.305
77 HB2 LYS 12 2HB LYS 12 3.633 7.438 -5.415
78 HB3 LYS 12 1HB LYS 12 3.011 8.943 -4.743
79 HG2 LYS 12 2HG LYS 12 5.314 9.755 -4.496
80 HG3 LYS 12 1HG LYS 12 5.902 8.263 -5.231
81 HD2 LYS 12 2HD LYS 12 4.625 8.780 -7.270
82 HD3 LYS 12 1HD LYS 12 4.100 10.303 -6.542
83 HE2 LYS 12 2HE LYS 12 6.385 11.077 -6.427
84 HE3 LYS 12 1HE LYS 12 6.973 9.520 -7.009
85 HZ1 LYS 12 3HZ LYS 12 6.943 11.135 -8.783
86 HZ2 LYS 12 1HZ LYS 12 5.288 11.431 -8.545
87 HZ3 LYS 12 2HZ LYS 12 5.813 9.913 -9.100
88 H THR 13 H THR 13 5.941 7.787 -1.760
89 HA THR 13 HA THR 13 4.844 9.903 -0.114
90 HB THR 13 HB THR 13 6.660 9.423 1.409
91 HG1 THR 13 1HG THR 13 8.437 8.320 0.807
92 HG21 THR 13 3HG2 THR 13 4.732 7.833 1.318
93 HG22 THR 13 1HG2 THR 13 6.231 7.070 1.858
94 HG23 THR 13 2HG2 THR 13 5.667 6.824 0.209
95 H ALA 14 H ALA 14 6.789 11.471 0.711
96 HA ALA 14 HA ALA 14 7.258 13.228 -1.449
97 HB1 ALA 14 1HB ALA 14 7.056 13.963 0.888
98 HB2 ALA 14 2HB ALA 14 8.534 14.559 0.130
99 HB3 ALA 14 3HB ALA 14 8.602 13.199 1.251
100 H ASP 15 H ASP 15 8.965 10.518 -0.284
101 HA ASP 15 HA ASP 15 11.539 11.214 -1.364
102 HB2 ASP 15 2HB ASP 15 10.418 8.579 -0.391
103 HB3 ASP 15 1HB ASP 15 12.095 8.833 -0.865
104 H GLY 16 H GLY 16 8.695 10.421 -2.806
105 HA2 GLY 16 2HA GLY 16 8.162 9.739 -4.942
106 HA3 GLY 16 1HA GLY 16 9.885 9.719 -5.306
107 H LYS 17 H LYS 17 8.741 7.954 -2.593
108 HA LYS 17 HA LYS 17 9.469 5.477 -3.973
109 HB2 LYS 17 2HB LYS 17 9.037 5.944 -1.012
110 HB3 LYS 17 1HB LYS 17 9.686 4.488 -1.756
111 HG2 LYS 17 2HG LYS 17 10.986 7.206 -1.724
112 HG3 LYS 17 1HG LYS 17 11.464 5.800 -0.773
113 HD2 LYS 17 2HD LYS 17 11.923 4.585 -2.883
114 HD3 LYS 17 1HD LYS 17 11.542 6.057 -3.780
115 HE2 LYS 17 2HE LYS 17 13.778 5.672 -1.788
116 HE3 LYS 17 1HE LYS 17 13.943 5.833 -3.532
117 HZ1 LYS 17 3HZ LYS 17 12.644 8.093 -2.954
118 HZ2 LYS 17 1HZ LYS 17 14.337 7.975 -2.987
119 HZ3 LYS 17 2HZ LYS 17 13.516 7.873 -1.514
120 H THR 18 H THR 18 8.010 3.965 -4.450
121 HA THR 18 HA THR 18 5.227 4.435 -3.749
122 HB THR 18 HB THR 18 6.387 2.260 -5.511
123 HG1 THR 18 1HG THR 18 5.719 4.952 -6.028
124 HG21 THR 18 3HG2 THR 18 3.592 3.385 -5.265
125 HG22 THR 18 1HG2 THR 18 4.130 1.782 -4.754
126 HG23 THR 18 2HG2 THR 18 4.112 2.200 -6.464
127 H TYR 19 H TYR 19 5.039 3.790 -1.570
128 HA TYR 19 HA TYR 19 5.853 1.039 -1.014
129 HD1 TYR 19 2HD TYR 19 3.087 1.434 1.715
130 HD2 TYR 19 1HD TYR 19 5.411 4.998 1.298
131 HE1 TYR 19 2HE TYR 19 1.362 2.714 2.878
132 HE2 TYR 19 1HE TYR 19 3.692 6.257 2.475
133 HH TYR 19 HH TYR 19 1.432 6.169 3.093
134 HB2 TYR 19 2HB TYR 19 5.732 1.481 1.285
135 HB3 TYR 19 1HB TYR 19 6.353 2.973 0.610
136 H TYR 20 H TYR 20 4.301 -0.372 0.098
137 HA TYR 20 HA TYR 20 1.644 -0.076 -1.112
138 HD1 TYR 20 1HD TYR 20 4.907 -1.490 -2.035
139 HD2 TYR 20 2HD TYR 20 1.040 -2.998 -2.976
140 HE1 TYR 20 1HE TYR 20 5.621 -1.848 -4.353
141 HE2 TYR 20 2HE TYR 20 1.736 -3.353 -5.301
142 HH TYR 20 HH TYR 20 3.420 -2.566 -6.874
143 HB2 TYR 20 2HB TYR 20 3.250 -2.497 -0.284
144 HB3 TYR 20 1HB TYR 20 1.573 -2.566 -0.762
145 H TYR 21 H TYR 21 0.027 0.286 0.316
146 HA TYR 21 HA TYR 21 0.548 -0.577 3.078
147 HD1 TYR 21 1HD TYR 21 -2.300 1.029 4.819
148 HD2 TYR 21 2HD TYR 21 1.862 1.978 4.303
149 HE1 TYR 21 1HE TYR 21 -2.048 1.374 7.241
150 HE2 TYR 21 2HE TYR 21 2.087 2.324 6.701
151 HH TYR 21 HH TYR 21 -0.203 1.283 8.942
152 HB2 TYR 21 2HB TYR 21 0.305 1.996 2.390
153 HB3 TYR 21 1HB TYR 21 -1.396 1.612 2.605
154 H ASN 22 H ASN 22 -0.748 -1.937 3.888
155 HA ASN 22 HA ASN 22 -2.736 -3.074 2.113
156 HB2 ASN 22 2HB ASN 22 -1.813 -4.248 4.724
157 HB3 ASN 22 1HB ASN 22 -2.363 -5.077 3.278
158 HD21 ASN 22 1HD2 ASN 22 0.063 -5.431 4.866
159 HD22 ASN 22 2HD2 ASN 22 1.380 -5.217 3.770
160 H ASN 23 H ASN 23 -4.794 -2.352 2.427
161 HA ASN 23 HA ASN 23 -5.653 -1.425 5.004
162 HB2 ASN 23 2HB ASN 23 -6.555 -0.616 2.773
163 HB3 ASN 23 1HB ASN 23 -7.404 -2.149 2.630
164 HD21 ASN 23 1HD2 ASN 23 -9.249 -2.491 3.823
165 HD22 ASN 23 2HD2 ASN 23 -9.999 -1.251 4.777
166 H ARG 24 H ARG 24 -4.815 -4.328 4.048
167 HA ARG 24 HA ARG 24 -6.739 -6.230 4.428
168 HE ARG 24 HE ARG 24 -4.456 -10.718 5.690
169 HB2 ARG 24 2HB ARG 24 -4.410 -6.633 3.723
170 HB3 ARG 24 1HB ARG 24 -3.879 -6.374 5.375
171 HG2 ARG 24 2HG ARG 24 -5.159 -8.326 6.099
172 HG3 ARG 24 1HG ARG 24 -5.699 -8.588 4.439
173 HD2 ARG 24 2HD ARG 24 -3.338 -8.835 3.752
174 HD3 ARG 24 1HD ARG 24 -2.854 -8.656 5.436
175 HH11 ARG 24 1HH1 ARG 24 -2.251 -10.072 3.052
176 HH12 ARG 24 2HH1 ARG 24 -1.867 -11.747 2.785
177 HH21 ARG 24 1HH2 ARG 24 -3.951 -12.939 5.329
178 HH22 ARG 24 2HH2 ARG 24 -2.812 -13.355 4.079
179 H THR 25 H THR 25 -4.391 -6.218 7.015
180 HA THR 25 HA THR 25 -6.536 -6.029 9.006
181 HB THR 25 HB THR 25 -4.968 -7.980 9.083
182 HG1 THR 25 1HG THR 25 -4.731 -6.289 11.364
183 HG21 THR 25 3HG2 THR 25 -2.921 -5.904 9.858
184 HG22 THR 25 1HG2 THR 25 -2.924 -6.858 8.372
185 HG23 THR 25 2HG2 THR 25 -2.703 -7.654 9.932
186 H LEU 26 H LEU 26 -5.590 -3.761 7.505
187 HA LEU 26 HA LEU 26 -4.456 -1.813 7.493
188 HG LEU 26 HG LEU 26 -3.167 -0.132 9.643
189 HB2 LEU 26 2HB LEU 26 -5.912 -1.397 9.484
190 HB3 LEU 26 1HB LEU 26 -4.610 -1.969 10.507
191 HD11 LEU 26 1HD1 LEU 26 -4.215 1.721 8.431
192 HD12 LEU 26 2HD1 LEU 26 -5.721 0.808 8.330
193 HD13 LEU 26 3HD1 LEU 26 -4.279 0.223 7.502
194 HD21 LEU 26 3HD2 LEU 26 -4.260 1.657 10.899
195 HD22 LEU 26 1HD2 LEU 26 -4.349 0.118 11.754
196 HD23 LEU 26 2HD2 LEU 26 -5.765 0.738 10.903
197 H GLU 27 H GLU 27 -2.814 -3.386 6.742
198 HA GLU 27 HA GLU 27 -0.501 -3.620 8.554
199 HB2 GLU 27 2HB GLU 27 -1.490 -5.760 7.628
200 HB3 GLU 27 1HB GLU 27 -1.095 -5.177 6.023
201 HG2 GLU 27 2HG GLU 27 0.549 -6.774 6.859
202 HG3 GLU 27 1HG GLU 27 1.251 -5.189 6.529
203 H SER 28 H SER 28 1.580 -3.010 7.673
204 HA SER 28 HA SER 28 1.341 -1.545 5.130
205 HG SER 28 HG SER 28 3.493 -2.068 7.703
206 HB2 SER 28 2HB SER 28 3.228 -0.161 5.794
207 HB3 SER 28 1HB SER 28 1.912 -0.053 6.975
208 H THR 29 H THR 29 2.931 -1.785 3.590
209 HA THR 29 HA THR 29 5.295 -3.289 4.303
210 HB THR 29 HB THR 29 4.113 -5.094 3.347
211 HG1 THR 29 1HG THR 29 5.384 -4.312 0.977
212 HG21 THR 29 3HG2 THR 29 2.250 -3.859 2.346
213 HG22 THR 29 1HG2 THR 29 2.911 -5.058 1.237
214 HG23 THR 29 2HG2 THR 29 3.307 -3.349 1.028
215 H TRP 30 H TRP 30 6.874 -3.028 2.324
216 HA TRP 30 HA TRP 30 6.779 -0.123 1.782
217 HD1 TRP 30 HD TRP 30 8.105 -0.649 5.118
218 HE1 TRP 30 1HE TRP 30 8.969 1.596 6.024
219 HE3 TRP 30 3HE TRP 30 9.736 1.452 0.753
220 HZ2 TRP 30 2HZ TRP 30 10.128 3.957 5.032
221 HZ3 TRP 30 3HZ TRP 30 10.684 3.725 0.813
222 HH2 TRP 30 HH TRP 30 10.852 4.955 2.918
223 HB2 TRP 30 2HB TRP 30 8.826 -1.941 2.776
224 HB3 TRP 30 1HB TRP 30 9.383 -0.924 1.454
225 H GLU 31 H GLU 31 8.122 -3.126 0.471
226 HA GLU 31 HA GLU 31 7.634 -2.077 -2.224
227 HB2 GLU 31 2HB GLU 31 9.151 -3.785 -3.004
228 HB3 GLU 31 1HB GLU 31 9.924 -2.895 -1.706
229 HG2 GLU 31 2HG GLU 31 8.507 -5.489 -1.229
230 HG3 GLU 31 1HG GLU 31 10.200 -5.420 -1.720
231 H LYS 32 H LYS 32 7.402 -4.468 -3.557
232 HA LYS 32 HA LYS 32 4.859 -5.271 -3.627
233 HB2 LYS 32 2HB LYS 32 7.352 -6.932 -3.913
234 HB3 LYS 32 1HB LYS 32 5.756 -7.600 -4.216
235 HG2 LYS 32 2HG LYS 32 5.398 -6.214 -6.063
236 HG3 LYS 32 1HG LYS 32 6.716 -5.129 -5.615
237 HD2 LYS 32 2HD LYS 32 7.234 -6.642 -7.531
238 HD3 LYS 32 1HD LYS 32 8.354 -6.769 -6.175
239 HE2 LYS 32 2HE LYS 32 7.833 -8.975 -6.996
240 HE3 LYS 32 1HE LYS 32 7.132 -8.769 -5.393
241 HZ1 LYS 32 3HZ LYS 32 4.981 -8.381 -6.407
242 HZ2 LYS 32 1HZ LYS 32 5.612 -9.866 -6.936
243 HZ3 LYS 32 2HZ LYS 32 5.649 -8.512 -7.957
244 HA PRO 33 HA PRO 33 3.673 -6.784 0.431
245 HB2 PRO 33 2HB PRO 33 1.666 -8.049 -1.408
246 HB3 PRO 33 1HB PRO 33 1.396 -7.219 0.127
247 HG2 PRO 33 2HG PRO 33 0.876 -5.970 -2.133
248 HG3 PRO 33 1HG PRO 33 1.695 -5.108 -0.815
249 HD2 PRO 33 2HD PRO 33 2.821 -6.209 -3.352
250 HD3 PRO 33 1HD PRO 33 3.250 -4.725 -2.478
251 H GLN 34 H GLN 34 3.854 -8.747 1.486
252 HA GLN 34 HA GLN 34 5.618 -10.613 0.315
253 HB2 GLN 34 2HB GLN 34 3.971 -10.961 2.824
254 HB3 GLN 34 1HB GLN 34 5.456 -11.810 2.408
255 HG2 GLN 34 2HG GLN 34 5.217 -8.849 2.901
256 HG3 GLN 34 1HG GLN 34 5.829 -10.034 4.053
257 HE21 GLN 34 1HE2 GLN 34 6.496 -8.250 1.132
258 HE22 GLN 34 2HE2 GLN 34 8.175 -8.641 1.049
259 H GLU 35 H GLU 35 2.265 -10.324 0.159
260 HA GLU 35 HA GLU 35 1.750 -13.131 -0.419
261 HB2 GLU 35 2HB GLU 35 -0.176 -10.828 -0.726
262 HB3 GLU 35 1HB GLU 35 -0.551 -12.529 -0.486
263 HG2 GLU 35 2HG GLU 35 0.827 -10.844 1.580
264 HG3 GLU 35 1HG GLU 35 -0.921 -11.046 1.495
265 H LEU 36 H LEU 36 2.504 -10.194 -1.997
266 HA LEU 36 HA LEU 36 1.530 -11.082 -4.593
267 HG LEU 36 HG LEU 36 -0.046 -9.033 -3.638
268 HB2 LEU 36 2HB LEU 36 2.353 -8.519 -3.349
269 HB3 LEU 36 1HB LEU 36 2.583 -8.682 -5.077
270 HD11 LEU 36 1HD1 LEU 36 -0.633 -6.855 -4.632
271 HD12 LEU 36 2HD1 LEU 36 1.038 -6.667 -5.175
272 HD13 LEU 36 3HD1 LEU 36 0.666 -6.736 -3.447
273 HD21 LEU 36 3HD2 LEU 36 0.103 -10.282 -5.733
274 HD22 LEU 36 1HD2 LEU 36 0.582 -8.811 -6.582
275 HD23 LEU 36 2HD2 LEU 36 -1.025 -8.934 -5.864
276 H LYS 37 H LYS 37 3.046 -12.720 -5.033
277 HA LYS 37 HA LYS 37 5.880 -12.038 -4.938
278 HB2 LYS 37 2HB LYS 37 5.038 -14.207 -4.009
279 HB3 LYS 37 1HB LYS 37 4.585 -14.674 -5.640
280 HG2 LYS 37 2HG LYS 37 6.869 -14.673 -6.352
281 HG3 LYS 37 1HG LYS 37 7.398 -14.004 -4.805
282 HD2 LYS 37 2HD LYS 37 6.508 -16.046 -3.691
283 HD3 LYS 37 1HD LYS 37 6.152 -16.707 -5.287
284 HE2 LYS 37 2HE LYS 37 8.892 -15.857 -4.369
285 HE3 LYS 37 1HE LYS 37 8.289 -17.511 -4.303
286 HZ1 LYS 37 3HZ LYS 37 8.655 -15.873 -6.762
287 HZ2 LYS 37 1HZ LYS 37 8.007 -17.441 -6.721
288 HZ3 LYS 37 2HZ LYS 37 9.617 -17.180 -6.268
289 HA PRO 103 HA PRO 103 -9.509 9.504 1.499
290 HB2 PRO 103 2HB PRO 103 -10.129 11.461 3.339
291 HB3 PRO 103 1HB PRO 103 -11.320 10.415 2.557
292 HG2 PRO 103 2HG PRO 103 -10.082 10.189 5.269
293 HG3 PRO 103 1HG PRO 103 -11.759 9.891 4.768
294 HD2 PRO 103 2HD PRO 103 -10.022 7.879 5.209
295 HD3 PRO 103 1HD PRO 103 -11.273 7.782 3.954
296 H THR 104 H THR 104 -7.936 9.770 4.651
297 HA THR 104 HA THR 104 -5.860 11.496 3.526
298 HB THR 104 HB THR 104 -5.009 11.464 5.926
299 HG1 THR 104 1HG THR 104 -6.277 9.499 6.452
300 HG21 THR 104 3HG2 THR 104 -7.797 12.502 5.421
301 HG22 THR 104 1HG2 THR 104 -6.289 13.338 5.061
302 HG23 THR 104 2HG2 THR 104 -6.739 13.013 6.737
303 HA PRO 105 HA PRO 105 -3.229 8.006 2.971
304 HB2 PRO 105 2HB PRO 105 -0.816 9.158 2.859
305 HB3 PRO 105 1HB PRO 105 -2.041 9.470 1.626
306 HG2 PRO 105 2HG PRO 105 -1.275 11.157 3.983
307 HG3 PRO 105 1HG PRO 105 -1.572 11.653 2.308
308 HD2 PRO 105 2HD PRO 105 -3.428 11.871 4.303
309 HD3 PRO 105 1HD PRO 105 -3.849 11.676 2.589
310 HA PRO 106 HA PRO 106 -1.762 6.867 7.016
311 HB2 PRO 106 2HB PRO 106 -0.517 4.552 6.380
312 HB3 PRO 106 1HB PRO 106 -2.277 4.702 6.415
313 HG2 PRO 106 2HG PRO 106 -0.440 4.510 4.121
314 HG3 PRO 106 1HG PRO 106 -2.148 4.066 4.232
315 HD2 PRO 106 2HD PRO 106 -1.055 6.430 3.102
316 HD3 PRO 106 1HD PRO 106 -2.766 6.054 3.335
317 HA PRO 107 HA PRO 107 2.415 8.332 6.729
318 HB2 PRO 107 2HB PRO 107 3.366 7.774 9.203
319 HB3 PRO 107 1HB PRO 107 2.215 9.085 8.920
320 HG2 PRO 107 2HG PRO 107 1.736 6.345 10.007
321 HG3 PRO 107 1HG PRO 107 1.002 7.883 10.489
322 HD2 PRO 107 2HD PRO 107 -0.207 6.022 8.860
323 HD3 PRO 107 1HD PRO 107 -0.603 7.753 8.864
324 H LEU 108 H LEU 108 4.492 7.461 6.433
325 HA LEU 108 HA LEU 108 4.284 4.741 5.562
326 HG LEU 108 HG LEU 108 7.629 4.963 5.484
327 HB2 LEU 108 2HB LEU 108 5.279 5.995 3.958
328 HB3 LEU 108 1HB LEU 108 6.070 7.049 5.076
329 HD11 LEU 108 1HD1 LEU 108 6.598 4.479 2.706
330 HD12 LEU 108 2HD1 LEU 108 6.239 3.467 4.101
331 HD13 LEU 108 3HD1 LEU 108 7.897 3.609 3.515
332 HD21 LEU 108 3HD2 LEU 108 9.077 5.811 3.703
333 HD22 LEU 108 1HD2 LEU 108 8.340 7.124 4.612
334 HD23 LEU 108 2HD2 LEU 108 7.711 6.695 3.020
335 HA PRO 109 HA PRO 109 6.421 2.885 8.948
336 HB2 PRO 109 2HB PRO 109 7.357 0.766 7.209
337 HB3 PRO 109 1HB PRO 109 6.106 0.701 8.446
338 HG2 PRO 109 2HG PRO 109 5.646 0.549 5.711
339 HG3 PRO 109 1HG PRO 109 4.462 0.961 6.925
340 HD2 PRO 109 2HD PRO 109 5.848 2.667 5.003
341 HD3 PRO 109 1HD PRO 109 4.301 2.904 5.808
342 HA PRO 110 HA PRO 110 10.772 3.557 8.241
343 HB2 PRO 110 2HB PRO 110 11.683 2.700 10.637
344 HB3 PRO 110 1HB PRO 110 10.748 4.186 10.448
345 HG2 PRO 110 2HG PRO 110 9.969 1.640 11.670
346 HG3 PRO 110 1HG PRO 110 9.232 3.236 11.840
347 HD2 PRO 110 2HD PRO 110 8.406 1.032 10.152
348 HD3 PRO 110 1HD PRO 110 7.584 2.580 10.438
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -8.941 -23.949 -6.307
2 H2 GLY 1 2HT GLY 1 -7.794 -22.737 -6.012
3 H3 GLY 1 3HT GLY 1 -8.484 -22.901 -7.554
4 HA2 GLY 1 1HA GLY 1 -10.637 -22.266 -6.725
5 HA3 GLY 1 2HA GLY 1 -9.972 -22.161 -5.095
6 H ALA 2 H ALA 2 -8.723 -20.397 -4.521
7 HA ALA 2 HA ALA 2 -8.176 -18.370 -6.558
8 HB1 ALA 2 1HB ALA 2 -10.409 -17.819 -5.688
9 HB2 ALA 2 2HB ALA 2 -9.222 -16.586 -5.260
10 HB3 ALA 2 3HB ALA 2 -9.752 -17.759 -4.053
11 H THR 3 H THR 3 -7.104 -16.384 -5.254
12 HA THR 3 HA THR 3 -5.231 -17.568 -3.317
13 HB THR 3 HB THR 3 -4.206 -16.993 -5.552
14 HG1 THR 3 1HG THR 3 -3.092 -15.411 -3.467
15 HG21 THR 3 3HG2 THR 3 -4.797 -14.170 -4.648
16 HG22 THR 3 1HG2 THR 3 -5.395 -14.965 -6.103
17 HG23 THR 3 2HG2 THR 3 -3.679 -14.591 -5.944
18 H ALA 4 H ALA 4 -4.476 -16.128 -1.641
19 HA ALA 4 HA ALA 4 -6.686 -14.527 -0.709
20 HB1 ALA 4 1HB ALA 4 -5.451 -14.422 1.401
21 HB2 ALA 4 2HB ALA 4 -4.075 -15.216 0.634
22 HB3 ALA 4 3HB ALA 4 -5.605 -16.076 0.816
23 H VAL 5 H VAL 5 -6.230 -12.958 -2.560
24 HA VAL 5 HA VAL 5 -4.051 -11.116 -2.133
25 HB VAL 5 HB VAL 5 -4.792 -11.534 -4.414
26 HG11 VAL 5 1HG1 VAL 5 -7.427 -10.352 -3.556
27 HG12 VAL 5 2HG1 VAL 5 -7.123 -12.015 -4.063
28 HG13 VAL 5 3HG1 VAL 5 -6.966 -10.696 -5.225
29 HG21 VAL 5 3HG2 VAL 5 -5.351 -8.709 -3.515
30 HG22 VAL 5 1HG2 VAL 5 -5.073 -9.203 -5.185
31 HG23 VAL 5 2HG2 VAL 5 -3.785 -9.372 -3.992
32 H SER 6 H SER 6 -4.095 -9.340 -0.920
33 HA SER 6 HA SER 6 -6.595 -8.593 0.369
34 HG SER 6 HG SER 6 -4.928 -10.169 1.413
35 HB2 SER 6 2HB SER 6 -3.789 -7.872 1.142
36 HB3 SER 6 1HB SER 6 -5.242 -7.507 2.064
37 H GLU 7 H GLU 7 -6.213 -6.137 1.183
38 HA GLU 7 HA GLU 7 -6.575 -4.683 -1.256
39 HB2 GLU 7 2HB GLU 7 -6.379 -3.507 1.519
40 HB3 GLU 7 1HB GLU 7 -7.174 -2.817 0.112
41 HG2 GLU 7 2HG GLU 7 -8.070 -5.201 1.716
42 HG3 GLU 7 1HG GLU 7 -8.822 -3.608 1.661
43 H TRP 8 H TRP 8 -4.982 -3.961 -2.336
44 HA TRP 8 HA TRP 8 -2.425 -3.328 -0.995
45 HD1 TRP 8 HD TRP 8 -2.669 -6.931 -4.195
46 HE1 TRP 8 1HE TRP 8 -2.395 -8.978 -2.668
47 HE3 TRP 8 3HE TRP 8 -1.550 -4.511 0.105
48 HZ2 TRP 8 2HZ TRP 8 -1.818 -9.474 0.067
49 HZ3 TRP 8 3HZ TRP 8 -1.242 -5.828 2.144
50 HH2 TRP 8 HH TRP 8 -1.355 -8.227 2.144
51 HB2 TRP 8 2HB TRP 8 -2.790 -4.376 -3.824
52 HB3 TRP 8 1HB TRP 8 -1.259 -4.048 -3.035
53 H THR 9 H THR 9 -2.520 -1.223 -0.850
54 HA THR 9 HA THR 9 -3.326 0.424 -3.125
55 HB THR 9 HB THR 9 -2.507 1.424 -0.422
56 HG1 THR 9 1HG THR 9 -4.171 0.305 0.320
57 HG21 THR 9 3HG2 THR 9 -4.375 2.512 -2.514
58 HG22 THR 9 1HG2 THR 9 -2.753 3.101 -2.132
59 HG23 THR 9 2HG2 THR 9 -4.051 3.254 -0.945
60 H GLU 10 H GLU 10 -2.013 2.208 -3.692
61 HA GLU 10 HA GLU 10 0.858 1.755 -3.312
62 HB2 GLU 10 2HB GLU 10 1.182 2.812 -5.494
63 HB3 GLU 10 1HB GLU 10 0.073 1.452 -5.621
64 HG2 GLU 10 2HG GLU 10 -1.816 2.929 -5.710
65 HG3 GLU 10 1HG GLU 10 -0.771 4.327 -5.463
66 H TYR 11 H TYR 11 2.034 3.385 -2.425
67 HA TYR 11 HA TYR 11 0.854 6.058 -2.434
68 HD1 TYR 11 1HD TYR 11 -0.043 7.739 -0.449
69 HD2 TYR 11 2HD TYR 11 -0.505 3.601 0.405
70 HE1 TYR 11 1HE TYR 11 -2.394 8.107 0.037
71 HE2 TYR 11 2HE TYR 11 -2.867 3.956 0.890
72 HH TYR 11 HH TYR 11 -4.346 5.849 1.594
73 HB2 TYR 11 2HB TYR 11 1.661 4.493 -0.025
74 HB3 TYR 11 1HB TYR 11 1.920 6.236 -0.020
75 H LYS 12 H LYS 12 2.147 7.309 -3.474
76 HA LYS 12 HA LYS 12 5.007 6.858 -3.532
77 HB2 LYS 12 2HB LYS 12 3.934 7.513 -5.620
78 HB3 LYS 12 1HB LYS 12 3.280 8.960 -4.863
79 HG2 LYS 12 2HG LYS 12 5.811 9.447 -4.375
80 HG3 LYS 12 1HG LYS 12 6.051 8.363 -5.748
81 HD2 LYS 12 2HD LYS 12 5.961 10.668 -6.504
82 HD3 LYS 12 1HD LYS 12 4.555 9.779 -7.091
83 HE2 LYS 12 2HE LYS 12 3.960 12.018 -6.253
84 HE3 LYS 12 1HE LYS 12 3.174 10.727 -5.342
85 HZ1 LYS 12 3HZ LYS 12 5.607 12.222 -4.489
86 HZ2 LYS 12 1HZ LYS 12 4.852 10.983 -3.610
87 HZ3 LYS 12 2HZ LYS 12 4.039 12.440 -3.876
88 H THR 13 H THR 13 6.035 7.478 -1.774
89 HA THR 13 HA THR 13 5.044 9.584 -0.093
90 HB THR 13 HB THR 13 6.964 9.005 1.338
91 HG1 THR 13 1HG THR 13 8.371 7.325 0.602
92 HG21 THR 13 3HG2 THR 13 5.225 6.828 0.215
93 HG22 THR 13 1HG2 THR 13 5.133 7.622 1.784
94 HG23 THR 13 2HG2 THR 13 6.421 6.454 1.454
95 H ALA 14 H ALA 14 6.941 11.108 0.824
96 HA ALA 14 HA ALA 14 7.755 12.797 -1.337
97 HB1 ALA 14 1HB ALA 14 8.868 14.127 0.441
98 HB2 ALA 14 2HB ALA 14 8.444 12.865 1.598
99 HB3 ALA 14 3HB ALA 14 7.173 13.779 0.786
100 H ASP 15 H ASP 15 8.976 10.005 -0.041
101 HA ASP 15 HA ASP 15 11.783 10.482 -0.465
102 HB2 ASP 15 2HB ASP 15 10.897 8.873 1.229
103 HB3 ASP 15 1HB ASP 15 10.267 7.881 -0.079
104 H GLY 16 H GLY 16 9.131 10.004 -2.418
105 HA2 GLY 16 2HA GLY 16 9.006 9.836 -4.719
106 HA3 GLY 16 1HA GLY 16 10.756 9.688 -4.763
107 H LYS 17 H LYS 17 8.990 7.564 -2.713
108 HA LYS 17 HA LYS 17 9.525 5.375 -4.604
109 HB2 LYS 17 2HB LYS 17 9.772 5.484 -1.602
110 HB3 LYS 17 1HB LYS 17 9.760 3.972 -2.501
111 HG2 LYS 17 2HG LYS 17 11.731 6.178 -3.049
112 HG3 LYS 17 1HG LYS 17 12.024 4.898 -1.869
113 HD2 LYS 17 2HD LYS 17 11.432 4.470 -4.800
114 HD3 LYS 17 1HD LYS 17 13.039 4.419 -4.070
115 HE2 LYS 17 2HE LYS 17 10.717 2.608 -3.408
116 HE3 LYS 17 1HE LYS 17 12.119 2.175 -4.379
117 HZ1 LYS 17 3HZ LYS 17 13.525 2.268 -2.527
118 HZ2 LYS 17 1HZ LYS 17 12.134 1.465 -1.974
119 HZ3 LYS 17 2HZ LYS 17 12.387 3.093 -1.575
120 H THR 18 H THR 18 8.083 3.650 -4.649
121 HA THR 18 HA THR 18 5.378 4.268 -3.729
122 HB THR 18 HB THR 18 6.366 2.123 -5.629
123 HG1 THR 18 1HG THR 18 5.701 4.769 -5.970
124 HG21 THR 18 3HG2 THR 18 4.302 1.410 -4.612
125 HG22 THR 18 1HG2 THR 18 3.965 1.937 -6.261
126 HG23 THR 18 2HG2 THR 18 3.564 2.988 -4.900
127 H TYR 19 H TYR 19 5.014 3.532 -1.680
128 HA TYR 19 HA TYR 19 5.883 0.787 -1.087
129 HD1 TYR 19 1HD TYR 19 3.161 1.246 1.663
130 HD2 TYR 19 2HD TYR 19 5.495 4.788 1.141
131 HE1 TYR 19 1HE TYR 19 1.454 2.555 2.820
132 HE2 TYR 19 2HE TYR 19 3.792 6.080 2.303
133 HH TYR 19 HH TYR 19 1.589 6.039 2.976
134 HB2 TYR 19 2HB TYR 19 5.769 1.255 1.219
135 HB3 TYR 19 1HB TYR 19 6.431 2.725 0.539
136 H TYR 20 H TYR 20 4.241 -0.613 -0.020
137 HA TYR 20 HA TYR 20 1.544 0.010 -1.036
138 HD1 TYR 20 2HD TYR 20 4.797 -2.149 -1.619
139 HD2 TYR 20 1HD TYR 20 0.907 -2.435 -3.354
140 HE1 TYR 20 2HE TYR 20 5.800 -2.440 -3.839
141 HE2 TYR 20 1HE TYR 20 1.919 -2.755 -5.565
142 HH TYR 20 HH TYR 20 5.323 -3.271 -5.977
143 HB2 TYR 20 2HB TYR 20 2.570 -2.743 -0.255
144 HB3 TYR 20 1HB TYR 20 1.066 -2.350 -1.063
145 H TYR 21 H TYR 21 -0.068 0.248 0.407
146 HA TYR 21 HA TYR 21 0.591 -0.530 3.153
147 HD1 TYR 21 2HD TYR 21 1.914 2.023 4.336
148 HD2 TYR 21 1HD TYR 21 -2.248 1.117 4.932
149 HE1 TYR 21 2HE TYR 21 2.179 2.412 6.711
150 HE2 TYR 21 1HE TYR 21 -1.956 1.498 7.344
151 HH TYR 21 HH TYR 21 -0.185 1.489 9.012
152 HB2 TYR 21 2HB TYR 21 0.305 2.014 2.444
153 HB3 TYR 21 1HB TYR 21 -1.391 1.633 2.701
154 H ASN 22 H ASN 22 -0.366 -2.173 3.630
155 HA ASN 22 HA ASN 22 -2.605 -3.221 2.211
156 HB2 ASN 22 2HB ASN 22 -0.752 -4.615 2.892
157 HB3 ASN 22 1HB ASN 22 -0.981 -4.165 4.577
158 HD21 ASN 22 1HD2 ASN 22 -1.000 -6.465 4.866
159 HD22 ASN 22 2HD2 ASN 22 -2.472 -7.336 4.632
160 H ASN 23 H ASN 23 -4.684 -3.011 2.763
161 HA ASN 23 HA ASN 23 -5.305 -1.643 5.237
162 HB2 ASN 23 2HB ASN 23 -6.428 -1.088 3.049
163 HB3 ASN 23 1HB ASN 23 -7.244 -2.649 3.129
164 HD21 ASN 23 1HD2 ASN 23 -6.988 0.530 4.518
165 HD22 ASN 23 2HD2 ASN 23 -8.471 0.484 5.400
166 H ARG 24 H ARG 24 -4.543 -4.716 4.614
167 HA ARG 24 HA ARG 24 -6.528 -6.418 5.390
168 HE ARG 24 HE ARG 24 -2.476 -8.138 7.280
169 HB2 ARG 24 2HB ARG 24 -4.288 -7.174 4.670
170 HB3 ARG 24 1HB ARG 24 -3.661 -6.706 6.245
171 HG2 ARG 24 2HG ARG 24 -5.164 -8.324 7.315
172 HG3 ARG 24 1HG ARG 24 -5.737 -8.817 5.721
173 HD2 ARG 24 2HD ARG 24 -4.105 -10.405 6.417
174 HD3 ARG 24 1HD ARG 24 -3.378 -9.417 5.155
175 HH11 ARG 24 1HH1 ARG 24 -2.797 -11.601 6.824
176 HH12 ARG 24 2HH1 ARG 24 -1.392 -11.984 7.779
177 HH21 ARG 24 1HH2 ARG 24 -0.602 -8.649 8.547
178 HH22 ARG 24 2HH2 ARG 24 -0.158 -10.324 8.735
179 H THR 25 H THR 25 -3.960 -6.029 7.694
180 HA THR 25 HA THR 25 -5.821 -5.606 9.913
181 HB THR 25 HB THR 25 -3.520 -5.980 11.169
182 HG1 THR 25 1HG THR 25 -1.940 -6.657 9.904
183 HG21 THR 25 3HG2 THR 25 -5.012 -8.198 9.755
184 HG22 THR 25 1HG2 THR 25 -5.432 -7.494 11.318
185 HG23 THR 25 2HG2 THR 25 -3.937 -8.413 11.137
186 H LEU 26 H LEU 26 -5.200 -3.434 8.049
187 HA LEU 26 HA LEU 26 -4.094 -1.483 7.699
188 HG LEU 26 HG LEU 26 -6.367 -1.123 9.683
189 HB2 LEU 26 2HB LEU 26 -4.191 -1.475 10.713
190 HB3 LEU 26 1HB LEU 26 -3.514 -0.147 9.789
191 HD11 LEU 26 1HD1 LEU 26 -6.895 1.053 10.640
192 HD12 LEU 26 2HD1 LEU 26 -5.182 1.455 10.701
193 HD13 LEU 26 3HD1 LEU 26 -5.816 0.149 11.698
194 HD21 LEU 26 3HD2 LEU 26 -5.633 -0.400 7.487
195 HD22 LEU 26 1HD2 LEU 26 -4.999 1.097 8.172
196 HD23 LEU 26 2HD2 LEU 26 -6.737 0.793 8.181
197 H GLU 27 H GLU 27 -2.589 -3.081 6.905
198 HA GLU 27 HA GLU 27 -0.162 -3.523 8.498
199 HB2 GLU 27 2HB GLU 27 -1.532 -5.449 7.531
200 HB3 GLU 27 1HB GLU 27 -1.058 -4.871 5.944
201 HG2 GLU 27 2HG GLU 27 0.364 -6.648 6.456
202 HG3 GLU 27 1HG GLU 27 1.326 -5.187 6.665
203 H SER 28 H SER 28 1.863 -2.877 7.612
204 HA SER 28 HA SER 28 1.642 -1.467 5.040
205 HG SER 28 HG SER 28 4.061 -1.985 7.410
206 HB2 SER 28 2HB SER 28 3.597 -0.136 5.710
207 HB3 SER 28 1HB SER 28 2.260 0.050 6.850
208 H THR 29 H THR 29 3.012 -2.007 3.402
209 HA THR 29 HA THR 29 5.357 -3.596 4.042
210 HB THR 29 HB THR 29 3.631 -5.271 3.446
211 HG1 THR 29 1HG THR 29 5.396 -5.220 1.250
212 HG21 THR 29 3HG2 THR 29 3.625 -3.856 0.803
213 HG22 THR 29 1HG2 THR 29 2.274 -3.945 1.941
214 HG23 THR 29 2HG2 THR 29 2.839 -5.410 1.129
215 H TRP 30 H TRP 30 7.018 -2.887 2.985
216 HA TRP 30 HA TRP 30 6.786 -0.379 1.640
217 HD1 TRP 30 HD TRP 30 7.975 -0.673 5.044
218 HE1 TRP 30 1HE TRP 30 8.827 1.602 5.888
219 HE3 TRP 30 3HE TRP 30 9.823 1.175 0.681
220 HZ2 TRP 30 2HZ TRP 30 10.068 3.886 4.841
221 HZ3 TRP 30 3HZ TRP 30 10.799 3.429 0.668
222 HH2 TRP 30 HH TRP 30 10.900 4.770 2.715
223 HB2 TRP 30 2HB TRP 30 8.892 -2.086 2.756
224 HB3 TRP 30 1HB TRP 30 9.389 -1.081 1.404
225 H GLU 31 H GLU 31 7.956 -3.599 0.677
226 HA GLU 31 HA GLU 31 7.659 -2.758 -2.119
227 HB2 GLU 31 2HB GLU 31 9.025 -4.668 -2.707
228 HB3 GLU 31 1HB GLU 31 9.862 -3.631 -1.566
229 HG2 GLU 31 2HG GLU 31 8.393 -6.128 -0.759
230 HG3 GLU 31 1HG GLU 31 10.099 -6.107 -1.196
231 H LYS 32 H LYS 32 7.245 -5.032 -3.445
232 HA LYS 32 HA LYS 32 4.559 -5.464 -3.437
233 HB2 LYS 32 2HB LYS 32 6.755 -7.371 -4.230
234 HB3 LYS 32 1HB LYS 32 5.058 -7.669 -4.567
235 HG2 LYS 32 2HG LYS 32 4.994 -5.586 -5.890
236 HG3 LYS 32 1HG LYS 32 6.725 -5.386 -5.599
237 HD2 LYS 32 2HD LYS 32 6.369 -6.406 -7.767
238 HD3 LYS 32 1HD LYS 32 7.134 -7.569 -6.684
239 HE2 LYS 32 2HE LYS 32 4.926 -8.580 -6.255
240 HE3 LYS 32 1HE LYS 32 4.200 -7.440 -7.386
241 HZ1 LYS 32 3HZ LYS 32 6.192 -9.551 -8.026
242 HZ2 LYS 32 1HZ LYS 32 5.648 -8.390 -9.134
243 HZ3 LYS 32 2HZ LYS 32 4.563 -9.524 -8.487
244 HA PRO 33 HA PRO 33 3.621 -7.960 0.236
245 HB2 PRO 33 2HB PRO 33 1.101 -8.480 -0.921
246 HB3 PRO 33 1HB PRO 33 1.448 -7.279 0.313
247 HG2 PRO 33 2HG PRO 33 1.092 -6.941 -2.593
248 HG3 PRO 33 1HG PRO 33 0.802 -5.792 -1.276
249 HD2 PRO 33 2HD PRO 33 2.898 -5.600 -2.971
250 HD3 PRO 33 1HD PRO 33 2.977 -5.050 -1.285
251 H GLN 34 H GLN 34 3.185 -10.212 0.476
252 HA GLN 34 HA GLN 34 4.520 -11.851 -1.352
253 HB2 GLN 34 2HB GLN 34 4.047 -12.290 1.102
254 HB3 GLN 34 1HB GLN 34 2.440 -12.807 0.608
255 HG2 GLN 34 2HG GLN 34 3.538 -14.470 -0.896
256 HG3 GLN 34 1HG GLN 34 5.072 -14.030 -0.147
257 HE21 GLN 34 1HE2 GLN 34 1.992 -14.209 1.498
258 HE22 GLN 34 2HE2 GLN 34 2.386 -15.556 2.507
259 H GLU 35 H GLU 35 1.129 -11.022 -1.092
260 HA GLU 35 HA GLU 35 0.401 -13.015 -3.090
261 HB2 GLU 35 2HB GLU 35 -1.333 -11.149 -1.468
262 HB3 GLU 35 1HB GLU 35 -1.922 -12.380 -2.577
263 HG2 GLU 35 2HG GLU 35 -0.393 -12.809 -0.025
264 HG3 GLU 35 1HG GLU 35 -2.077 -13.221 -0.346
265 H LEU 36 H LEU 36 1.740 -10.144 -3.295
266 HA LEU 36 HA LEU 36 0.092 -9.023 -5.403
267 HG LEU 36 HG LEU 36 2.180 -5.934 -5.182
268 HB2 LEU 36 2HB LEU 36 1.652 -7.837 -3.625
269 HB3 LEU 36 1HB LEU 36 2.895 -8.151 -4.823
270 HD11 LEU 36 1HD1 LEU 36 2.444 -7.198 -7.253
271 HD12 LEU 36 2HD1 LEU 36 1.221 -5.938 -7.411
272 HD13 LEU 36 3HD1 LEU 36 0.734 -7.618 -7.214
273 HD21 LEU 36 3HD2 LEU 36 0.152 -5.983 -3.869
274 HD22 LEU 36 1HD2 LEU 36 -0.654 -6.952 -5.113
275 HD23 LEU 36 2HD2 LEU 36 -0.160 -5.289 -5.464
276 H LYS 37 H LYS 37 0.110 -10.410 -7.116
277 HA LYS 37 HA LYS 37 2.596 -11.717 -7.872
278 HB2 LYS 37 2HB LYS 37 0.265 -12.831 -7.729
279 HB3 LYS 37 1HB LYS 37 -0.045 -12.049 -9.270
280 HG2 LYS 37 2HG LYS 37 0.674 -14.338 -9.593
281 HG3 LYS 37 1HG LYS 37 1.864 -13.213 -10.253
282 HD2 LYS 37 2HD LYS 37 2.936 -15.041 -9.032
283 HD3 LYS 37 1HD LYS 37 3.237 -13.486 -8.256
284 HE2 LYS 37 2HE LYS 37 2.738 -15.109 -6.555
285 HE3 LYS 37 1HE LYS 37 1.396 -13.975 -6.667
286 HZ1 LYS 37 3HZ LYS 37 0.215 -15.644 -8.045
287 HZ2 LYS 37 1HZ LYS 37 0.548 -16.191 -6.472
288 HZ3 LYS 37 2HZ LYS 37 1.487 -16.733 -7.779
289 HA PRO 103 HA PRO 103 -9.909 9.862 2.451
290 HB2 PRO 103 2HB PRO 103 -8.179 9.067 0.378
291 HB3 PRO 103 1HB PRO 103 -9.757 8.373 0.744
292 HG2 PRO 103 2HG PRO 103 -9.065 9.808 -1.562
293 HG3 PRO 103 1HG PRO 103 -10.709 9.391 -1.048
294 HD2 PRO 103 2HD PRO 103 -9.203 11.942 -0.730
295 HD3 PRO 103 1HD PRO 103 -10.942 11.677 -0.986
296 H THR 104 H THR 104 -7.667 9.290 3.137
297 HA THR 104 HA THR 104 -5.704 11.410 2.611
298 HB THR 104 HB THR 104 -6.708 12.011 4.737
299 HG1 THR 104 1HG THR 104 -4.162 10.780 5.116
300 HG21 THR 104 3HG2 THR 104 -7.634 9.834 5.355
301 HG22 THR 104 1HG2 THR 104 -6.672 10.508 6.671
302 HG23 THR 104 2HG2 THR 104 -6.005 9.223 5.660
303 HA PRO 105 HA PRO 105 -2.987 7.856 2.370
304 HB2 PRO 105 2HB PRO 105 -0.613 9.063 2.383
305 HB3 PRO 105 1HB PRO 105 -1.734 9.297 1.045
306 HG2 PRO 105 2HG PRO 105 -1.257 11.092 3.406
307 HG3 PRO 105 1HG PRO 105 -1.321 11.514 1.683
308 HD2 PRO 105 2HD PRO 105 -3.443 11.806 3.362
309 HD3 PRO 105 1HD PRO 105 -3.623 11.468 1.628
310 HA PRO 106 HA PRO 106 -1.692 7.128 6.634
311 HB2 PRO 106 2HB PRO 106 -0.411 4.780 6.253
312 HB3 PRO 106 1HB PRO 106 -2.171 4.904 6.271
313 HG2 PRO 106 2HG PRO 106 -0.327 4.522 4.004
314 HG3 PRO 106 1HG PRO 106 -2.012 4.008 4.183
315 HD2 PRO 106 2HD PRO 106 -1.083 6.258 2.748
316 HD3 PRO 106 1HD PRO 106 -2.762 5.866 3.136
317 HA PRO 107 HA PRO 107 2.463 8.597 6.160
318 HB2 PRO 107 2HB PRO 107 3.155 7.934 8.884
319 HB3 PRO 107 1HB PRO 107 2.823 9.524 8.203
320 HG2 PRO 107 2HG PRO 107 1.206 8.262 10.029
321 HG3 PRO 107 1HG PRO 107 0.651 9.507 8.894
322 HD2 PRO 107 2HD PRO 107 0.353 6.534 8.754
323 HD3 PRO 107 1HD PRO 107 -0.774 7.812 8.243
324 H LEU 108 H LEU 108 4.583 7.732 5.995
325 HA LEU 108 HA LEU 108 4.362 4.940 5.343
326 HG LEU 108 HG LEU 108 7.686 5.130 5.295
327 HB2 LEU 108 2HB LEU 108 5.376 6.039 3.651
328 HB3 LEU 108 1HB LEU 108 6.151 7.199 4.675
329 HD11 LEU 108 1HD1 LEU 108 7.969 3.607 3.495
330 HD12 LEU 108 2HD1 LEU 108 6.812 4.480 2.499
331 HD13 LEU 108 3HD1 LEU 108 6.260 3.602 3.924
332 HD21 LEU 108 3HD2 LEU 108 9.174 5.835 3.469
333 HD22 LEU 108 1HD2 LEU 108 8.460 7.201 4.328
334 HD23 LEU 108 2HD2 LEU 108 7.829 6.724 2.751
335 HA PRO 109 HA PRO 109 6.573 3.360 8.855
336 HB2 PRO 109 2HB PRO 109 7.463 1.080 7.325
337 HB3 PRO 109 1HB PRO 109 6.190 1.144 8.539
338 HG2 PRO 109 2HG PRO 109 5.805 0.777 5.795
339 HG3 PRO 109 1HG PRO 109 4.583 1.208 6.957
340 HD2 PRO 109 2HD PRO 109 5.906 2.831 4.945
341 HD3 PRO 109 1HD PRO 109 4.372 3.091 5.767
342 HA PRO 110 HA PRO 110 10.862 4.306 8.346
343 HB2 PRO 110 2HB PRO 110 11.522 2.105 10.196
344 HB3 PRO 110 1HB PRO 110 11.794 3.843 10.373
345 HG2 PRO 110 2HG PRO 110 9.922 2.572 11.806
346 HG3 PRO 110 1HG PRO 110 9.676 4.223 11.210
347 HD2 PRO 110 2HD PRO 110 8.612 1.642 10.121
348 HD3 PRO 110 1HD PRO 110 7.793 3.206 10.318
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -0.302 -22.616 0.569
2 H2 GLY 1 2HT GLY 1 -1.639 -21.592 0.749
3 H3 GLY 1 3HT GLY 1 -0.328 -21.113 -0.207
4 HA2 GLY 1 1HA GLY 1 -0.765 -22.858 -1.789
5 HA3 GLY 1 2HA GLY 1 -2.101 -23.412 -0.790
6 H ALA 2 H ALA 2 -3.514 -21.285 -0.135
7 HA ALA 2 HA ALA 2 -4.570 -20.412 -2.695
8 HB1 ALA 2 1HB ALA 2 -6.079 -21.242 -0.941
9 HB2 ALA 2 2HB ALA 2 -6.455 -19.582 -1.405
10 HB3 ALA 2 3HB ALA 2 -5.591 -19.904 0.099
11 H THR 3 H THR 3 -3.412 -18.780 -3.566
12 HA THR 3 HA THR 3 -2.451 -16.579 -1.956
13 HB THR 3 HB THR 3 -1.757 -15.669 -4.239
14 HG1 THR 3 1HG THR 3 -3.316 -17.020 -5.391
15 HG21 THR 3 3HG2 THR 3 0.120 -17.242 -4.450
16 HG22 THR 3 1HG2 THR 3 -0.728 -18.390 -3.414
17 HG23 THR 3 2HG2 THR 3 -0.188 -16.845 -2.760
18 H ALA 4 H ALA 4 -3.352 -14.590 -1.794
19 HA ALA 4 HA ALA 4 -5.676 -13.972 -3.477
20 HB1 ALA 4 1HB ALA 4 -5.738 -13.845 -0.467
21 HB2 ALA 4 2HB ALA 4 -6.530 -15.077 -1.451
22 HB3 ALA 4 3HB ALA 4 -7.045 -13.392 -1.559
23 H VAL 5 H VAL 5 -5.685 -11.906 -4.114
24 HA VAL 5 HA VAL 5 -3.687 -10.111 -3.100
25 HB VAL 5 HB VAL 5 -4.979 -8.463 -4.694
26 HG11 VAL 5 1HG1 VAL 5 -3.691 -9.411 -6.627
27 HG12 VAL 5 2HG1 VAL 5 -3.269 -10.779 -5.595
28 HG13 VAL 5 3HG1 VAL 5 -2.744 -9.150 -5.158
29 HG21 VAL 5 3HG2 VAL 5 -5.916 -11.163 -5.671
30 HG22 VAL 5 1HG2 VAL 5 -6.059 -9.652 -6.565
31 HG23 VAL 5 2HG2 VAL 5 -6.932 -9.863 -5.046
32 H SER 6 H SER 6 -3.925 -8.638 -1.591
33 HA SER 6 HA SER 6 -6.530 -8.256 -0.380
34 HG SER 6 HG SER 6 -4.708 -9.902 0.385
35 HB2 SER 6 2HB SER 6 -3.805 -7.551 0.632
36 HB3 SER 6 1HB SER 6 -5.306 -7.443 1.551
37 H GLU 7 H GLU 7 -5.997 -5.897 0.935
38 HA GLU 7 HA GLU 7 -6.501 -4.033 -1.172
39 HB2 GLU 7 2HB GLU 7 -6.101 -3.627 1.802
40 HB3 GLU 7 1HB GLU 7 -6.620 -2.377 0.679
41 HG2 GLU 7 2HG GLU 7 -8.133 -4.911 1.270
42 HG3 GLU 7 1HG GLU 7 -8.467 -3.330 1.983
43 H TRP 8 H TRP 8 -4.885 -3.428 -2.346
44 HA TRP 8 HA TRP 8 -2.239 -2.953 -1.090
45 HD1 TRP 8 HD TRP 8 -2.541 -6.450 -4.470
46 HE1 TRP 8 1HE TRP 8 -2.273 -8.551 -3.006
47 HE3 TRP 8 3HE TRP 8 -1.549 -4.182 -0.077
48 HZ2 TRP 8 2HZ TRP 8 -1.735 -9.142 -0.263
49 HZ3 TRP 8 3HZ TRP 8 -1.234 -5.555 1.919
50 HH2 TRP 8 HH TRP 8 -1.301 -7.956 1.841
51 HB2 TRP 8 2HB TRP 8 -2.801 -3.893 -3.944
52 HB3 TRP 8 1HB TRP 8 -1.210 -3.616 -3.259
53 H THR 9 H THR 9 -2.455 -0.803 -0.825
54 HA THR 9 HA THR 9 -3.281 0.860 -3.085
55 HB THR 9 HB THR 9 -2.618 1.765 -0.299
56 HG1 THR 9 1HG THR 9 -4.825 0.397 -1.230
57 HG21 THR 9 3HG2 THR 9 -4.157 3.622 -0.855
58 HG22 THR 9 1HG2 THR 9 -4.245 2.997 -2.502
59 HG23 THR 9 2HG2 THR 9 -2.703 3.566 -1.854
60 H GLU 10 H GLU 10 -2.067 2.776 -3.509
61 HA GLU 10 HA GLU 10 0.833 2.361 -3.253
62 HB2 GLU 10 2HB GLU 10 -0.642 3.888 -5.412
63 HB3 GLU 10 1HB GLU 10 1.077 3.537 -5.364
64 HG2 GLU 10 2HG GLU 10 0.736 1.261 -5.824
65 HG3 GLU 10 1HG GLU 10 -0.988 1.363 -5.476
66 H TYR 11 H TYR 11 1.671 3.771 -1.796
67 HA TYR 11 HA TYR 11 0.746 6.556 -2.022
68 HD1 TYR 11 2HD TYR 11 -0.362 8.216 0.123
69 HD2 TYR 11 1HD TYR 11 -0.845 4.018 0.569
70 HE1 TYR 11 2HE TYR 11 -2.738 8.536 0.501
71 HE2 TYR 11 1HE TYR 11 -3.236 4.331 0.935
72 HH TYR 11 HH TYR 11 -4.837 7.231 0.287
73 HB2 TYR 11 2HB TYR 11 1.377 4.976 0.460
74 HB3 TYR 11 1HB TYR 11 1.600 6.724 0.451
75 H LYS 12 H LYS 12 2.224 7.539 -3.163
76 HA LYS 12 HA LYS 12 5.002 6.745 -3.037
77 HB2 LYS 12 2HB LYS 12 3.892 7.171 -5.207
78 HB3 LYS 12 1HB LYS 12 3.613 8.839 -4.720
79 HG2 LYS 12 2HG LYS 12 6.015 9.215 -4.628
80 HG3 LYS 12 1HG LYS 12 6.303 7.538 -5.102
81 HD2 LYS 12 2HD LYS 12 5.167 7.910 -7.214
82 HD3 LYS 12 1HD LYS 12 4.786 9.565 -6.744
83 HE2 LYS 12 2HE LYS 12 6.647 9.652 -8.214
84 HE3 LYS 12 1HE LYS 12 7.244 9.997 -6.591
85 HZ1 LYS 12 3HZ LYS 12 8.697 8.478 -7.797
86 HZ2 LYS 12 1HZ LYS 12 7.426 7.367 -7.963
87 HZ3 LYS 12 2HZ LYS 12 8.035 7.733 -6.430
88 H THR 13 H THR 13 6.366 7.653 -1.703
89 HA THR 13 HA THR 13 5.336 9.885 -0.123
90 HB THR 13 HB THR 13 6.807 9.074 1.648
91 HG1 THR 13 1HG THR 13 7.464 6.755 0.228
92 HG21 THR 13 3HG2 THR 13 4.543 8.090 1.341
93 HG22 THR 13 1HG2 THR 13 5.687 6.966 2.082
94 HG23 THR 13 2HG2 THR 13 5.272 6.804 0.378
95 H ALA 14 H ALA 14 7.381 10.926 1.134
96 HA ALA 14 HA ALA 14 8.633 12.574 -0.798
97 HB1 ALA 14 1HB ALA 14 9.781 13.607 1.075
98 HB2 ALA 14 2HB ALA 14 9.313 12.265 2.121
99 HB3 ALA 14 3HB ALA 14 8.080 13.339 1.467
100 H ASP 15 H ASP 15 9.423 9.493 0.318
101 HA ASP 15 HA ASP 15 12.286 9.698 0.040
102 HB2 ASP 15 2HB ASP 15 10.909 7.991 1.463
103 HB3 ASP 15 1HB ASP 15 10.741 7.111 -0.051
104 H GLY 16 H GLY 16 9.743 9.735 -2.065
105 HA2 GLY 16 2HA GLY 16 9.729 9.746 -4.379
106 HA3 GLY 16 1HA GLY 16 11.410 9.229 -4.364
107 H LYS 17 H LYS 17 9.649 7.272 -2.353
108 HA LYS 17 HA LYS 17 9.539 5.187 -4.427
109 HB2 LYS 17 2HB LYS 17 9.655 4.681 -1.456
110 HB3 LYS 17 1HB LYS 17 10.062 3.585 -2.768
111 HG2 LYS 17 2HG LYS 17 11.618 6.071 -2.107
112 HG3 LYS 17 1HG LYS 17 12.008 4.463 -1.499
113 HD2 LYS 17 2HD LYS 17 12.486 3.663 -3.689
114 HD3 LYS 17 1HD LYS 17 11.797 5.108 -4.433
115 HE2 LYS 17 2HE LYS 17 14.317 5.012 -4.366
116 HE3 LYS 17 1HE LYS 17 13.589 6.463 -3.684
117 HZ1 LYS 17 3HZ LYS 17 14.486 4.131 -2.073
118 HZ2 LYS 17 1HZ LYS 17 13.936 5.625 -1.483
119 HZ3 LYS 17 2HZ LYS 17 15.407 5.527 -2.323
120 H THR 18 H THR 18 7.735 3.930 -4.628
121 HA THR 18 HA THR 18 5.325 4.843 -3.276
122 HB THR 18 HB THR 18 5.721 2.912 -5.574
123 HG1 THR 18 1HG THR 18 4.591 4.707 -6.683
124 HG21 THR 18 3HG2 THR 18 3.752 2.243 -4.339
125 HG22 THR 18 1HG2 THR 18 3.253 3.047 -5.828
126 HG23 THR 18 2HG2 THR 18 3.172 3.910 -4.292
127 H TYR 19 H TYR 19 4.983 3.938 -1.321
128 HA TYR 19 HA TYR 19 5.715 1.134 -0.963
129 HD1 TYR 19 2HD TYR 19 3.175 1.350 2.048
130 HD2 TYR 19 1HD TYR 19 5.140 5.039 1.207
131 HE1 TYR 19 2HE TYR 19 1.419 2.572 3.223
132 HE2 TYR 19 1HE TYR 19 3.400 6.244 2.396
133 HH TYR 19 HH TYR 19 1.244 4.824 4.436
134 HB2 TYR 19 2HB TYR 19 5.635 1.474 1.358
135 HB3 TYR 19 1HB TYR 19 6.256 2.993 0.748
136 H TYR 20 H TYR 20 4.139 -0.386 -0.053
137 HA TYR 20 HA TYR 20 1.407 0.307 -0.885
138 HD1 TYR 20 2HD TYR 20 4.505 -1.605 -2.089
139 HD2 TYR 20 1HD TYR 20 0.433 -1.896 -3.287
140 HE1 TYR 20 2HE TYR 20 5.201 -1.584 -4.447
141 HE2 TYR 20 1HE TYR 20 1.114 -1.884 -5.642
142 HH TYR 20 HH TYR 20 3.045 -1.082 -6.996
143 HB2 TYR 20 2HB TYR 20 2.563 -2.481 -0.538
144 HB3 TYR 20 1HB TYR 20 0.939 -2.084 -1.057
145 H TYR 21 H TYR 21 -0.178 0.197 0.558
146 HA TYR 21 HA TYR 21 0.646 -0.576 3.264
147 HD1 TYR 21 1HD TYR 21 1.901 1.506 4.409
148 HD2 TYR 21 2HD TYR 21 -2.346 1.433 5.073
149 HE1 TYR 21 1HE TYR 21 2.266 2.012 6.771
150 HE2 TYR 21 2HE TYR 21 -1.966 1.984 7.424
151 HH TYR 21 HH TYR 21 -0.210 1.761 9.126
152 HB2 TYR 21 2HB TYR 21 0.025 1.943 2.529
153 HB3 TYR 21 1HB TYR 21 -1.583 1.343 2.915
154 H ASN 22 H ASN 22 -0.247 -2.323 3.788
155 HA ASN 22 HA ASN 22 -2.289 -3.509 2.209
156 HB2 ASN 22 2HB ASN 22 -1.258 -4.554 4.851
157 HB3 ASN 22 1HB ASN 22 -1.847 -5.472 3.472
158 HD21 ASN 22 1HD2 ASN 22 0.620 -5.904 4.816
159 HD22 ASN 22 2HD2 ASN 22 1.889 -5.601 3.685
160 H ASN 23 H ASN 23 -4.086 -2.137 2.548
161 HA ASN 23 HA ASN 23 -5.185 -1.608 5.091
162 HB2 ASN 23 2HB ASN 23 -6.146 -1.467 2.275
163 HB3 ASN 23 1HB ASN 23 -7.369 -1.483 3.538
164 HD21 ASN 23 1HD2 ASN 23 -7.629 0.293 4.834
165 HD22 ASN 23 2HD2 ASN 23 -6.802 1.789 4.555
166 H ARG 24 H ARG 24 -4.663 -4.496 3.722
167 HA ARG 24 HA ARG 24 -6.928 -6.044 3.908
168 HE ARG 24 HE ARG 24 -6.423 -10.721 3.548
169 HB2 ARG 24 2HB ARG 24 -4.759 -6.822 3.068
170 HB3 ARG 24 1HB ARG 24 -4.136 -6.836 4.711
171 HG2 ARG 24 2HG ARG 24 -4.752 -9.073 3.935
172 HG3 ARG 24 1HG ARG 24 -5.713 -8.575 5.331
173 HD2 ARG 24 2HD ARG 24 -7.599 -8.079 3.925
174 HD3 ARG 24 1HD ARG 24 -6.639 -8.322 2.465
175 HH11 ARG 24 1HH1 ARG 24 -9.263 -8.678 3.214
176 HH12 ARG 24 2HH1 ARG 24 -10.372 -10.016 3.202
177 HH21 ARG 24 1HH2 ARG 24 -7.875 -12.464 3.516
178 HH22 ARG 24 2HH2 ARG 24 -9.585 -12.174 3.365
179 H THR 25 H THR 25 -4.538 -6.658 6.389
180 HA THR 25 HA THR 25 -6.592 -6.478 8.464
181 HB THR 25 HB THR 25 -4.720 -7.593 9.849
182 HG1 THR 25 1HG THR 25 -2.936 -8.069 8.818
183 HG21 THR 25 3HG2 THR 25 -5.931 -9.069 7.508
184 HG22 THR 25 1HG2 THR 25 -6.712 -8.779 9.064
185 HG23 THR 25 2HG2 THR 25 -5.285 -9.812 8.969
186 H LEU 26 H LEU 26 -5.253 -4.157 7.208
187 HA LEU 26 HA LEU 26 -4.080 -2.269 7.608
188 HG LEU 26 HG LEU 26 -5.256 -0.383 8.845
189 HB2 LEU 26 2HB LEU 26 -5.673 -2.585 9.771
190 HB3 LEU 26 1HB LEU 26 -4.101 -2.591 10.546
191 HD11 LEU 26 1HD1 LEU 26 -5.141 0.911 10.926
192 HD12 LEU 26 2HD1 LEU 26 -4.560 -0.524 11.773
193 HD13 LEU 26 3HD1 LEU 26 -6.183 -0.504 11.086
194 HD21 LEU 26 3HD2 LEU 26 -2.566 -0.505 10.201
195 HD22 LEU 26 1HD2 LEU 26 -3.225 0.864 9.308
196 HD23 LEU 26 2HD2 LEU 26 -2.839 -0.640 8.464
197 H GLU 27 H GLU 27 -2.384 -3.594 6.729
198 HA GLU 27 HA GLU 27 -0.127 -3.936 8.601
199 HB2 GLU 27 2HB GLU 27 -0.921 -6.123 7.691
200 HB3 GLU 27 1HB GLU 27 -0.732 -5.500 6.065
201 HG2 GLU 27 2HG GLU 27 1.103 -6.961 6.668
202 HG3 GLU 27 1HG GLU 27 1.660 -5.312 6.380
203 H SER 28 H SER 28 1.953 -3.227 7.700
204 HA SER 28 HA SER 28 1.596 -1.606 5.266
205 HG SER 28 HG SER 28 4.114 -2.147 7.553
206 HB2 SER 28 2HB SER 28 3.469 -0.218 6.035
207 HB3 SER 28 1HB SER 28 2.120 -0.221 7.182
208 H THR 29 H THR 29 3.060 -1.785 3.592
209 HA THR 29 HA THR 29 5.551 -3.151 4.136
210 HB THR 29 HB THR 29 4.286 -4.997 3.282
211 HG1 THR 29 1HG THR 29 5.420 -5.200 1.101
212 HG21 THR 29 3HG2 THR 29 3.539 -3.274 0.915
213 HG22 THR 29 1HG2 THR 29 2.448 -3.831 2.187
214 HG23 THR 29 2HG2 THR 29 3.177 -4.996 1.087
215 H TRP 30 H TRP 30 6.908 -2.909 1.952
216 HA TRP 30 HA TRP 30 6.636 -0.043 1.306
217 HD1 TRP 30 HD TRP 30 8.006 -0.695 4.518
218 HE1 TRP 30 1HE TRP 30 8.769 1.505 5.597
219 HE3 TRP 30 3HE TRP 30 9.570 1.764 0.343
220 HZ2 TRP 30 2HZ TRP 30 9.852 3.969 4.797
221 HZ3 TRP 30 3HZ TRP 30 10.432 4.063 0.571
222 HH2 TRP 30 HH TRP 30 10.551 5.150 2.762
223 HB2 TRP 30 2HB TRP 30 8.908 -1.770 2.012
224 HB3 TRP 30 1HB TRP 30 9.200 -0.560 0.767
225 H GLU 31 H GLU 31 8.025 -3.015 -0.174
226 HA GLU 31 HA GLU 31 7.112 -1.904 -2.732
227 HB2 GLU 31 2HB GLU 31 8.674 -3.360 -3.840
228 HB3 GLU 31 1HB GLU 31 9.505 -2.411 -2.622
229 HG2 GLU 31 2HG GLU 31 9.532 -4.340 -1.129
230 HG3 GLU 31 1HG GLU 31 8.679 -5.286 -2.354
231 H LYS 32 H LYS 32 6.934 -4.195 -4.249
232 HA LYS 32 HA LYS 32 4.267 -4.769 -3.874
233 HB2 LYS 32 2HB LYS 32 6.364 -6.328 -5.372
234 HB3 LYS 32 1HB LYS 32 4.639 -6.655 -5.487
235 HG2 LYS 32 2HG LYS 32 4.321 -4.303 -6.253
236 HG3 LYS 32 1HG LYS 32 6.075 -4.132 -6.299
237 HD2 LYS 32 2HD LYS 32 4.516 -6.202 -7.836
238 HD3 LYS 32 1HD LYS 32 5.044 -4.660 -8.501
239 HE2 LYS 32 2HE LYS 32 6.853 -6.806 -7.402
240 HE3 LYS 32 1HE LYS 32 6.543 -6.503 -9.109
241 HZ1 LYS 32 3HZ LYS 32 7.942 -4.746 -7.180
242 HZ2 LYS 32 1HZ LYS 32 7.396 -4.194 -8.691
243 HZ3 LYS 32 2HZ LYS 32 8.551 -5.430 -8.608
244 HA PRO 33 HA PRO 33 3.945 -7.537 -0.370
245 HB2 PRO 33 2HB PRO 33 1.529 -8.175 -2.028
246 HB3 PRO 33 1HB PRO 33 1.649 -7.905 -0.288
247 HG2 PRO 33 2HG PRO 33 0.726 -5.980 -1.821
248 HG3 PRO 33 1HG PRO 33 1.880 -5.594 -0.527
249 HD2 PRO 33 2HD PRO 33 2.319 -5.786 -3.475
250 HD3 PRO 33 1HD PRO 33 3.038 -4.668 -2.298
251 H GLN 34 H GLN 34 3.509 -9.827 -0.020
252 HA GLN 34 HA GLN 34 5.292 -11.437 -1.407
253 HB2 GLN 34 2HB GLN 34 2.957 -12.333 0.284
254 HB3 GLN 34 1HB GLN 34 4.374 -13.292 -0.112
255 HG2 GLN 34 2HG GLN 34 4.522 -10.714 1.419
256 HG3 GLN 34 1HG GLN 34 4.313 -12.284 2.189
257 HE21 GLN 34 1HE2 GLN 34 6.242 -12.144 3.278
258 HE22 GLN 34 2HE2 GLN 34 7.775 -12.297 2.496
259 H GLU 35 H GLU 35 1.897 -10.910 -2.008
260 HA GLU 35 HA GLU 35 1.846 -13.160 -3.901
261 HB2 GLU 35 2HB GLU 35 -0.442 -11.723 -2.543
262 HB3 GLU 35 1HB GLU 35 -0.592 -13.104 -3.628
263 HG2 GLU 35 2HG GLU 35 0.457 -14.549 -2.091
264 HG3 GLU 35 1HG GLU 35 1.008 -13.204 -1.092
265 H LEU 36 H LEU 36 2.330 -9.939 -3.925
266 HA LEU 36 HA LEU 36 0.780 -9.452 -6.357
267 HG LEU 36 HG LEU 36 1.762 -6.353 -6.509
268 HB2 LEU 36 2HB LEU 36 0.470 -8.003 -4.359
269 HB3 LEU 36 1HB LEU 36 2.149 -7.548 -4.477
270 HD11 LEU 36 1HD1 LEU 36 -0.431 -6.220 -7.544
271 HD12 LEU 36 2HD1 LEU 36 -1.091 -7.325 -6.336
272 HD13 LEU 36 3HD1 LEU 36 0.107 -7.898 -7.498
273 HD21 LEU 36 3HD2 LEU 36 0.262 -4.665 -5.621
274 HD22 LEU 36 1HD2 LEU 36 1.272 -5.336 -4.336
275 HD23 LEU 36 2HD2 LEU 36 -0.409 -5.849 -4.487
276 H LYS 37 H LYS 37 1.891 -9.594 -8.205
277 HA LYS 37 HA LYS 37 4.755 -8.935 -8.153
278 HB2 LYS 37 2HB LYS 37 5.080 -10.540 -10.002
279 HB3 LYS 37 1HB LYS 37 4.506 -11.319 -8.536
280 HG2 LYS 37 2HG LYS 37 2.294 -11.531 -9.455
281 HG3 LYS 37 1HG LYS 37 2.745 -10.569 -10.861
282 HD2 LYS 37 2HD LYS 37 2.749 -12.899 -11.475
283 HD3 LYS 37 1HD LYS 37 4.409 -12.301 -11.465
284 HE2 LYS 37 2HE LYS 37 4.681 -13.250 -9.193
285 HE3 LYS 37 1HE LYS 37 3.068 -13.953 -9.330
286 HZ1 LYS 37 3HZ LYS 37 5.400 -14.554 -11.078
287 HZ2 LYS 37 1HZ LYS 37 3.849 -15.210 -11.265
288 HZ3 LYS 37 2HZ LYS 37 4.756 -15.573 -9.883
289 HA PRO 103 HA PRO 103 -9.672 10.152 1.966
290 HB2 PRO 103 2HB PRO 103 -9.948 13.014 2.363
291 HB3 PRO 103 1HB PRO 103 -10.831 11.959 1.260
292 HG2 PRO 103 2HG PRO 103 -11.981 13.150 3.422
293 HG3 PRO 103 1HG PRO 103 -12.534 11.605 2.746
294 HD2 PRO 103 2HD PRO 103 -10.800 12.119 5.141
295 HD3 PRO 103 1HD PRO 103 -12.120 10.946 4.932
296 H THR 104 H THR 104 -8.066 10.104 4.512
297 HA THR 104 HA THR 104 -5.909 11.942 3.730
298 HB THR 104 HB THR 104 -5.107 11.579 6.116
299 HG1 THR 104 1HG THR 104 -6.441 9.701 6.478
300 HG21 THR 104 3HG2 THR 104 -6.740 13.156 7.091
301 HG22 THR 104 1HG2 THR 104 -7.796 12.897 5.706
302 HG23 THR 104 2HG2 THR 104 -6.216 13.650 5.481
303 HA PRO 105 HA PRO 105 -3.487 8.284 2.922
304 HB2 PRO 105 2HB PRO 105 -1.024 9.314 2.941
305 HB3 PRO 105 1HB PRO 105 -2.196 9.790 1.713
306 HG2 PRO 105 2HG PRO 105 -1.422 11.245 4.218
307 HG3 PRO 105 1HG PRO 105 -1.599 11.881 2.571
308 HD2 PRO 105 2HD PRO 105 -3.545 12.090 4.470
309 HD3 PRO 105 1HD PRO 105 -3.886 12.003 2.732
310 HA PRO 106 HA PRO 106 -2.134 6.949 6.994
311 HB2 PRO 106 2HB PRO 106 -1.035 4.571 6.306
312 HB3 PRO 106 1HB PRO 106 -2.777 4.818 6.420
313 HG2 PRO 106 2HG PRO 106 -1.082 4.479 4.069
314 HG3 PRO 106 1HG PRO 106 -2.817 4.229 4.224
315 HD2 PRO 106 2HD PRO 106 -1.480 6.484 3.087
316 HD3 PRO 106 1HD PRO 106 -3.220 6.251 3.297
317 HA PRO 107 HA PRO 107 2.050 8.281 6.675
318 HB2 PRO 107 2HB PRO 107 3.068 7.627 9.090
319 HB3 PRO 107 1HB PRO 107 1.890 8.930 8.897
320 HG2 PRO 107 2HG PRO 107 1.468 6.120 9.839
321 HG3 PRO 107 1HG PRO 107 0.762 7.626 10.457
322 HD2 PRO 107 2HD PRO 107 -0.544 5.907 8.769
323 HD3 PRO 107 1HD PRO 107 -0.887 7.648 8.865
324 H LEU 108 H LEU 108 4.093 7.481 6.264
325 HA LEU 108 HA LEU 108 4.038 4.752 5.369
326 HG LEU 108 HG LEU 108 7.355 5.177 5.385
327 HB2 LEU 108 2HB LEU 108 4.999 6.038 3.776
328 HB3 LEU 108 1HB LEU 108 5.675 7.170 4.900
329 HD11 LEU 108 1HD1 LEU 108 6.542 4.699 2.532
330 HD12 LEU 108 2HD1 LEU 108 6.074 3.657 3.875
331 HD13 LEU 108 3HD1 LEU 108 7.776 3.842 3.451
332 HD21 LEU 108 3HD2 LEU 108 7.996 7.366 4.608
333 HD22 LEU 108 1HD2 LEU 108 7.409 6.989 2.989
334 HD23 LEU 108 2HD2 LEU 108 8.814 6.138 3.640
335 HA PRO 109 HA PRO 109 6.272 3.101 8.814
336 HB2 PRO 109 2HB PRO 109 7.410 0.964 7.276
337 HB3 PRO 109 1HB PRO 109 6.036 0.895 8.374
338 HG2 PRO 109 2HG PRO 109 5.940 0.652 5.572
339 HG3 PRO 109 1HG PRO 109 4.589 0.853 6.652
340 HD2 PRO 109 2HD PRO 109 5.816 2.756 4.846
341 HD3 PRO 109 1HD PRO 109 4.238 2.809 5.618
342 HA PRO 110 HA PRO 110 10.076 5.315 8.299
343 HB2 PRO 110 2HB PRO 110 11.219 4.161 10.606
344 HB3 PRO 110 1HB PRO 110 10.332 5.684 10.511
345 HG2 PRO 110 2HG PRO 110 9.382 2.990 11.332
346 HG3 PRO 110 1HG PRO 110 8.890 4.588 11.919
347 HD2 PRO 110 2HD PRO 110 7.313 3.181 10.285
348 HD3 PRO 110 1HD PRO 110 7.458 4.946 10.123
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -2.082 -21.171 1.988
2 H2 GLY 1 2HT GLY 1 -0.998 -21.384 0.707
3 H3 GLY 1 3HT GLY 1 -2.386 -22.353 0.814
4 HA2 GLY 1 1HA GLY 1 -3.808 -20.492 0.400
5 HA3 GLY 1 2HA GLY 1 -2.418 -19.416 0.427
6 H ALA 2 H ALA 2 -3.833 -19.135 -1.726
7 HA ALA 2 HA ALA 2 -2.288 -20.574 -3.792
8 HB1 ALA 2 1HB ALA 2 -4.594 -21.363 -3.837
9 HB2 ALA 2 2HB ALA 2 -4.237 -20.417 -5.281
10 HB3 ALA 2 3HB ALA 2 -5.175 -19.702 -3.972
11 H THR 3 H THR 3 -4.150 -17.665 -3.014
12 HA THR 3 HA THR 3 -2.086 -15.973 -4.129
13 HB THR 3 HB THR 3 -4.896 -15.808 -5.261
14 HG1 THR 3 1HG THR 3 -2.693 -17.246 -6.033
15 HG21 THR 3 3HG2 THR 3 -3.760 -13.636 -5.099
16 HG22 THR 3 1HG2 THR 3 -3.945 -14.142 -6.782
17 HG23 THR 3 2HG2 THR 3 -2.383 -14.290 -5.982
18 H ALA 4 H ALA 4 -1.814 -14.928 -2.244
19 HA ALA 4 HA ALA 4 -4.138 -14.034 -0.724
20 HB1 ALA 4 1HB ALA 4 -2.331 -15.129 0.486
21 HB2 ALA 4 2HB ALA 4 -2.539 -13.464 1.028
22 HB3 ALA 4 3HB ALA 4 -1.206 -13.881 -0.048
23 H VAL 5 H VAL 5 -4.527 -12.585 -2.700
24 HA VAL 5 HA VAL 5 -2.983 -10.116 -2.467
25 HB VAL 5 HB VAL 5 -3.182 -10.880 -4.738
26 HG11 VAL 5 1HG1 VAL 5 -5.306 -11.096 -5.906
27 HG12 VAL 5 2HG1 VAL 5 -6.178 -10.758 -4.410
28 HG13 VAL 5 3HG1 VAL 5 -5.208 -12.222 -4.553
29 HG21 VAL 5 3HG2 VAL 5 -4.182 -8.905 -5.791
30 HG22 VAL 5 1HG2 VAL 5 -3.179 -8.479 -4.399
31 HG23 VAL 5 2HG2 VAL 5 -4.941 -8.480 -4.258
32 H SER 6 H SER 6 -3.699 -9.068 -0.758
33 HA SER 6 HA SER 6 -6.501 -8.769 -0.181
34 HG SER 6 HG SER 6 -5.217 -10.089 1.267
35 HB2 SER 6 2HB SER 6 -4.112 -7.576 1.193
36 HB3 SER 6 1HB SER 6 -5.764 -7.586 1.807
37 H GLU 7 H GLU 7 -6.462 -6.235 0.907
38 HA GLU 7 HA GLU 7 -6.718 -4.666 -1.471
39 HB2 GLU 7 2HB GLU 7 -6.933 -3.860 1.444
40 HB3 GLU 7 1HB GLU 7 -7.385 -2.862 0.076
41 HG2 GLU 7 2HG GLU 7 -8.684 -5.461 0.854
42 HG3 GLU 7 1HG GLU 7 -9.332 -3.848 1.150
43 H TRP 8 H TRP 8 -5.038 -3.917 -2.389
44 HA TRP 8 HA TRP 8 -2.641 -3.213 -0.796
45 HD1 TRP 8 HD TRP 8 -2.211 -6.878 -3.965
46 HE1 TRP 8 1HE TRP 8 -1.901 -8.862 -2.359
47 HE3 TRP 8 3HE TRP 8 -1.985 -4.310 0.382
48 HZ2 TRP 8 2HZ TRP 8 -1.617 -9.262 0.433
49 HZ3 TRP 8 3HZ TRP 8 -1.719 -5.552 2.461
50 HH2 TRP 8 HH TRP 8 -1.542 -7.956 2.509
51 HB2 TRP 8 2HB TRP 8 -2.763 -4.332 -3.633
52 HB3 TRP 8 1HB TRP 8 -1.298 -3.863 -2.793
53 H THR 9 H THR 9 -2.714 -1.078 -0.744
54 HA THR 9 HA THR 9 -3.481 0.454 -3.107
55 HB THR 9 HB THR 9 -2.870 1.471 -0.345
56 HG1 THR 9 1HG THR 9 -4.965 0.015 -1.143
57 HG21 THR 9 3HG2 THR 9 -4.281 3.392 -1.043
58 HG22 THR 9 1HG2 THR 9 -4.317 2.709 -2.669
59 HG23 THR 9 2HG2 THR 9 -2.783 3.224 -1.962
60 H GLU 10 H GLU 10 -2.222 2.338 -3.582
61 HA GLU 10 HA GLU 10 0.658 1.842 -3.323
62 HB2 GLU 10 2HB GLU 10 0.918 2.854 -5.505
63 HB3 GLU 10 1HB GLU 10 -0.321 1.609 -5.615
64 HG2 GLU 10 2HG GLU 10 -1.985 3.535 -5.256
65 HG3 GLU 10 1HG GLU 10 -0.632 4.585 -5.664
66 H TYR 11 H TYR 11 1.764 3.371 -2.220
67 HA TYR 11 HA TYR 11 0.696 6.091 -2.315
68 HD1 TYR 11 2HD TYR 11 -0.045 7.899 -0.351
69 HD2 TYR 11 1HD TYR 11 -0.961 3.828 0.437
70 HE1 TYR 11 2HE TYR 11 -2.356 8.501 0.025
71 HE2 TYR 11 1HE TYR 11 -3.299 4.423 0.803
72 HH TYR 11 HH TYR 11 -4.570 7.472 -0.039
73 HB2 TYR 11 2HB TYR 11 1.318 4.494 0.117
74 HB3 TYR 11 1HB TYR 11 1.748 6.206 0.138
75 H LYS 12 H LYS 12 2.035 7.286 -3.316
76 HA LYS 12 HA LYS 12 4.855 6.638 -3.448
77 HB2 LYS 12 2HB LYS 12 3.823 7.340 -5.522
78 HB3 LYS 12 1HB LYS 12 3.201 8.804 -4.765
79 HG2 LYS 12 2HG LYS 12 5.691 9.328 -4.303
80 HG3 LYS 12 1HG LYS 12 6.003 8.125 -5.556
81 HD2 LYS 12 2HD LYS 12 4.724 9.390 -7.152
82 HD3 LYS 12 1HD LYS 12 4.221 10.535 -5.907
83 HE2 LYS 12 2HE LYS 12 7.051 10.067 -6.836
84 HE3 LYS 12 1HE LYS 12 6.029 11.431 -7.303
85 HZ1 LYS 12 3HZ LYS 12 6.904 10.811 -4.521
86 HZ2 LYS 12 1HZ LYS 12 5.985 12.150 -5.005
87 HZ3 LYS 12 2HZ LYS 12 7.590 11.993 -5.524
88 H THR 13 H THR 13 6.206 7.388 -2.021
89 HA THR 13 HA THR 13 5.393 9.548 -0.272
90 HB THR 13 HB THR 13 7.458 8.874 0.981
91 HG1 THR 13 1HG THR 13 8.865 7.684 -0.094
92 HG21 THR 13 3HG2 THR 13 5.104 7.187 0.370
93 HG22 THR 13 1HG2 THR 13 5.700 7.774 1.922
94 HG23 THR 13 2HG2 THR 13 6.442 6.355 1.173
95 H ALA 14 H ALA 14 7.564 10.888 0.422
96 HA ALA 14 HA ALA 14 7.770 12.778 -1.643
97 HB1 ALA 14 1HB ALA 14 9.474 12.509 0.825
98 HB2 ALA 14 2HB ALA 14 7.930 13.353 0.719
99 HB3 ALA 14 3HB ALA 14 9.325 13.947 -0.182
100 H ASP 15 H ASP 15 9.835 10.119 -0.754
101 HA ASP 15 HA ASP 15 12.050 11.038 -2.370
102 HB2 ASP 15 2HB ASP 15 13.075 8.871 -1.706
103 HB3 ASP 15 1HB ASP 15 12.551 9.839 -0.330
104 H GLY 16 H GLY 16 9.156 9.754 -3.125
105 HA2 GLY 16 2HA GLY 16 8.404 9.118 -5.222
106 HA3 GLY 16 1HA GLY 16 10.072 9.027 -5.763
107 H LYS 17 H LYS 17 9.255 7.332 -2.889
108 HA LYS 17 HA LYS 17 9.509 4.807 -4.334
109 HB2 LYS 17 2HB LYS 17 10.934 5.288 -2.309
110 HB3 LYS 17 1HB LYS 17 9.466 5.275 -1.344
111 HG2 LYS 17 2HG LYS 17 10.688 3.169 -1.184
112 HG3 LYS 17 1HG LYS 17 9.095 2.934 -1.903
113 HD2 LYS 17 2HD LYS 17 9.996 2.658 -4.058
114 HD3 LYS 17 1HD LYS 17 11.557 3.318 -3.579
115 HE2 LYS 17 2HE LYS 17 10.411 0.746 -2.508
116 HE3 LYS 17 1HE LYS 17 11.515 0.835 -3.879
117 HZ1 LYS 17 3HZ LYS 17 12.078 1.640 -1.076
118 HZ2 LYS 17 1HZ LYS 17 13.118 1.957 -2.376
119 HZ3 LYS 17 2HZ LYS 17 12.778 0.356 -1.932
120 H THR 18 H THR 18 7.806 3.577 -4.718
121 HA THR 18 HA THR 18 5.222 4.345 -3.634
122 HB THR 18 HB THR 18 5.915 2.212 -5.671
123 HG1 THR 18 1HG THR 18 6.157 4.697 -6.034
124 HG21 THR 18 3HG2 THR 18 3.512 2.315 -6.231
125 HG22 THR 18 1HG2 THR 18 3.261 3.428 -4.886
126 HG23 THR 18 2HG2 THR 18 3.780 1.769 -4.576
127 H TYR 19 H TYR 19 5.043 3.626 -1.552
128 HA TYR 19 HA TYR 19 5.777 0.864 -0.991
129 HD1 TYR 19 1HD TYR 19 3.053 1.256 1.768
130 HD2 TYR 19 2HD TYR 19 5.234 4.872 1.129
131 HE1 TYR 19 1HE TYR 19 1.273 2.523 2.867
132 HE2 TYR 19 2HE TYR 19 3.466 6.142 2.221
133 HH TYR 19 HH TYR 19 1.081 4.740 4.081
134 HB2 TYR 19 2HB TYR 19 5.640 1.349 1.303
135 HB3 TYR 19 1HB TYR 19 6.262 2.833 0.616
136 H TYR 20 H TYR 20 4.233 -0.580 0.015
137 HA TYR 20 HA TYR 20 1.513 -0.092 -0.938
138 HD1 TYR 20 1HD TYR 20 0.935 -1.815 -3.237
139 HD2 TYR 20 2HD TYR 20 4.817 -2.530 -1.658
140 HE1 TYR 20 1HE TYR 20 1.837 -1.935 -5.520
141 HE2 TYR 20 2HE TYR 20 5.735 -2.646 -3.931
142 HH TYR 20 HH TYR 20 5.065 -3.002 -6.162
143 HB2 TYR 20 2HB TYR 20 2.884 -2.698 -0.251
144 HB3 TYR 20 1HB TYR 20 1.268 -2.512 -0.902
145 H TYR 21 H TYR 21 -0.101 -0.034 0.516
146 HA TYR 21 HA TYR 21 0.682 -0.636 3.279
147 HD1 TYR 21 1HD TYR 21 1.916 1.432 4.376
148 HD2 TYR 21 2HD TYR 21 -2.353 1.559 4.905
149 HE1 TYR 21 1HE TYR 21 2.224 2.052 6.717
150 HE2 TYR 21 2HE TYR 21 -2.009 2.215 7.247
151 HH TYR 21 HH TYR 21 1.022 3.175 8.502
152 HB2 TYR 21 2HB TYR 21 0.132 1.830 2.421
153 HB3 TYR 21 1HB TYR 21 -1.503 1.306 2.766
154 H ASN 22 H ASN 22 -0.342 -2.203 4.138
155 HA ASN 22 HA ASN 22 -2.221 -3.670 2.539
156 HB2 ASN 22 2HB ASN 22 -1.183 -4.206 5.341
157 HB3 ASN 22 1HB ASN 22 -2.051 -5.344 4.332
158 HD21 ASN 22 1HD2 ASN 22 0.364 -3.271 2.945
159 HD22 ASN 22 2HD2 ASN 22 1.555 -4.500 2.719
160 H ASN 23 H ASN 23 -4.217 -2.739 2.546
161 HA ASN 23 HA ASN 23 -5.338 -1.483 4.815
162 HB2 ASN 23 2HB ASN 23 -6.139 -0.941 2.591
163 HB3 ASN 23 1HB ASN 23 -6.649 -2.601 2.313
164 HD21 ASN 23 1HD2 ASN 23 -7.353 0.375 3.970
165 HD22 ASN 23 2HD2 ASN 23 -8.982 -0.019 4.389
166 H ARG 24 H ARG 24 -4.807 -4.758 4.125
167 HA ARG 24 HA ARG 24 -7.038 -6.124 4.867
168 HE ARG 24 HE ARG 24 -3.893 -8.960 3.509
169 HB2 ARG 24 2HB ARG 24 -5.281 -7.850 5.742
170 HB3 ARG 24 1HB ARG 24 -5.470 -7.532 4.037
171 HG2 ARG 24 2HG ARG 24 -3.475 -6.382 3.903
172 HG3 ARG 24 1HG ARG 24 -3.410 -6.061 5.632
173 HD2 ARG 24 2HD ARG 24 -1.777 -7.753 5.032
174 HD3 ARG 24 1HD ARG 24 -3.033 -8.459 6.046
175 HH11 ARG 24 1HH1 ARG 24 -0.918 -9.613 5.238
176 HH12 ARG 24 2HH1 ARG 24 -0.549 -11.047 4.330
177 HH21 ARG 24 1HH2 ARG 24 -3.414 -10.831 2.304
178 HH22 ARG 24 2HH2 ARG 24 -1.990 -11.751 2.674
179 H THR 25 H THR 25 -4.386 -6.320 7.192
180 HA THR 25 HA THR 25 -6.271 -5.830 9.362
181 HB THR 25 HB THR 25 -4.207 -6.606 10.734
182 HG1 THR 25 1HG THR 25 -2.570 -7.439 9.619
183 HG21 THR 25 3HG2 THR 25 -5.621 -8.529 8.877
184 HG22 THR 25 1HG2 THR 25 -6.234 -7.953 10.428
185 HG23 THR 25 2HG2 THR 25 -4.784 -8.957 10.367
186 H LEU 26 H LEU 26 -5.080 -3.720 7.621
187 HA LEU 26 HA LEU 26 -3.924 -1.785 7.629
188 HG LEU 26 HG LEU 26 -5.902 0.107 10.040
189 HB2 LEU 26 2HB LEU 26 -4.575 -1.983 10.554
190 HB3 LEU 26 1HB LEU 26 -3.672 -0.629 9.903
191 HD11 LEU 26 1HD1 LEU 26 -4.826 0.710 7.961
192 HD12 LEU 26 2HD1 LEU 26 -6.551 0.439 7.691
193 HD13 LEU 26 3HD1 LEU 26 -5.378 -0.786 7.207
194 HD21 LEU 26 3HD2 LEU 26 -7.811 -1.121 9.126
195 HD22 LEU 26 1HD2 LEU 26 -6.983 -2.054 10.371
196 HD23 LEU 26 2HD2 LEU 26 -6.746 -2.449 8.668
197 H GLU 27 H GLU 27 -2.406 -3.641 7.129
198 HA GLU 27 HA GLU 27 -0.022 -3.613 8.845
199 HB2 GLU 27 2HB GLU 27 -0.851 -5.840 8.205
200 HB3 GLU 27 1HB GLU 27 -0.853 -5.376 6.516
201 HG2 GLU 27 2HG GLU 27 1.032 -6.771 6.916
202 HG3 GLU 27 1HG GLU 27 1.591 -5.128 6.603
203 H SER 28 H SER 28 2.065 -3.160 7.731
204 HA SER 28 HA SER 28 1.647 -1.756 5.175
205 HG SER 28 HG SER 28 3.728 -1.739 8.165
206 HB2 SER 28 2HB SER 28 3.624 -0.427 5.630
207 HB3 SER 28 1HB SER 28 2.477 -0.293 6.971
208 H THR 29 H THR 29 3.055 -2.150 3.446
209 HA THR 29 HA THR 29 5.384 -3.768 3.975
210 HB THR 29 HB THR 29 3.722 -5.482 3.331
211 HG1 THR 29 1HG THR 29 5.371 -5.389 1.087
212 HG21 THR 29 3HG2 THR 29 3.479 -3.746 0.921
213 HG22 THR 29 1HG2 THR 29 2.192 -4.477 1.895
214 HG23 THR 29 2HG2 THR 29 3.167 -5.481 0.812
215 H TRP 30 H TRP 30 7.011 -2.986 2.962
216 HA TRP 30 HA TRP 30 6.752 -0.474 1.632
217 HD1 TRP 30 HD TRP 30 7.953 -0.806 5.013
218 HE1 TRP 30 1HE TRP 30 8.737 1.473 5.905
219 HE3 TRP 30 3HE TRP 30 9.756 1.171 0.693
220 HZ2 TRP 30 2HZ TRP 30 9.913 3.819 4.898
221 HZ3 TRP 30 3HZ TRP 30 10.662 3.455 0.719
222 HH2 TRP 30 HH TRP 30 10.723 4.763 2.791
223 HB2 TRP 30 2HB TRP 30 8.910 -2.153 2.711
224 HB3 TRP 30 1HB TRP 30 9.360 -1.110 1.369
225 H GLU 31 H GLU 31 8.024 -3.654 0.650
226 HA GLU 31 HA GLU 31 7.563 -2.840 -2.126
227 HB2 GLU 31 2HB GLU 31 8.977 -4.756 -2.756
228 HB3 GLU 31 1HB GLU 31 9.823 -3.612 -1.719
229 HG2 GLU 31 2HG GLU 31 9.277 -5.129 0.207
230 HG3 GLU 31 1HG GLU 31 8.705 -6.295 -0.988
231 H LYS 32 H LYS 32 7.029 -5.117 -3.433
232 HA LYS 32 HA LYS 32 4.286 -5.338 -2.585
233 HB2 LYS 32 2HB LYS 32 3.897 -6.392 -4.752
234 HB3 LYS 32 1HB LYS 32 4.792 -4.887 -4.924
235 HG2 LYS 32 2HG LYS 32 6.870 -6.158 -5.176
236 HG3 LYS 32 1HG LYS 32 5.961 -7.664 -5.020
237 HD2 LYS 32 2HD LYS 32 4.624 -6.995 -7.008
238 HD3 LYS 32 1HD LYS 32 5.672 -5.588 -7.193
239 HE2 LYS 32 2HE LYS 32 7.604 -7.072 -7.473
240 HE3 LYS 32 1HE LYS 32 6.542 -8.472 -7.302
241 HZ1 LYS 32 3HZ LYS 32 6.974 -8.010 -9.619
242 HZ2 LYS 32 1HZ LYS 32 6.392 -6.424 -9.448
243 HZ3 LYS 32 2HZ LYS 32 5.331 -7.738 -9.275
244 HA PRO 33 HA PRO 33 4.209 -9.446 -0.804
245 HB2 PRO 33 2HB PRO 33 1.642 -9.536 -2.327
246 HB3 PRO 33 1HB PRO 33 1.941 -9.904 -0.630
247 HG2 PRO 33 2HG PRO 33 0.761 -7.635 -1.297
248 HG3 PRO 33 1HG PRO 33 2.001 -7.646 -0.025
249 HD2 PRO 33 2HD PRO 33 2.214 -6.766 -2.876
250 HD3 PRO 33 1HD PRO 33 2.907 -6.029 -1.415
251 H GLN 34 H GLN 34 3.973 -11.701 -1.562
252 HA GLN 34 HA GLN 34 5.408 -12.131 -3.989
253 HB2 GLN 34 2HB GLN 34 3.900 -14.153 -2.317
254 HB3 GLN 34 1HB GLN 34 5.172 -14.500 -3.479
255 HG2 GLN 34 2HG GLN 34 5.614 -12.833 -1.020
256 HG3 GLN 34 1HG GLN 34 5.803 -14.585 -1.043
257 HE21 GLN 34 1HE2 GLN 34 7.493 -15.494 -2.191
258 HE22 GLN 34 2HE2 GLN 34 8.863 -14.570 -2.703
259 H GLU 35 H GLU 35 2.127 -11.740 -3.253
260 HA GLU 35 HA GLU 35 1.151 -13.368 -5.468
261 HB2 GLU 35 2HB GLU 35 -0.737 -11.751 -3.869
262 HB3 GLU 35 1HB GLU 35 -0.848 -13.425 -4.383
263 HG2 GLU 35 2HG GLU 35 0.924 -12.477 -2.147
264 HG3 GLU 35 1HG GLU 35 -0.718 -13.071 -1.919
265 H LEU 36 H LEU 36 1.933 -10.104 -4.768
266 HA LEU 36 HA LEU 36 -0.165 -8.980 -6.394
267 HG LEU 36 HG LEU 36 1.284 -6.017 -6.299
268 HB2 LEU 36 2HB LEU 36 0.468 -8.041 -4.227
269 HB3 LEU 36 1HB LEU 36 2.076 -7.721 -4.838
270 HD11 LEU 36 1HD1 LEU 36 -1.503 -6.861 -5.482
271 HD12 LEU 36 2HD1 LEU 36 -0.777 -7.047 -7.080
272 HD13 LEU 36 3HD1 LEU 36 -1.110 -5.438 -6.446
273 HD21 LEU 36 3HD2 LEU 36 0.448 -4.458 -4.682
274 HD22 LEU 36 1HD2 LEU 36 1.580 -5.554 -3.879
275 HD23 LEU 36 2HD2 LEU 36 -0.162 -5.773 -3.667
276 H LYS 37 H LYS 37 0.482 -9.844 -8.403
277 HA LYS 37 HA LYS 37 1.216 -9.581 -10.519
278 HB2 LYS 37 2HB LYS 37 1.790 -6.794 -9.514
279 HB3 LYS 37 1HB LYS 37 1.779 -7.264 -11.210
280 HG2 LYS 37 2HG LYS 37 -0.557 -7.375 -9.316
281 HG3 LYS 37 1HG LYS 37 -0.306 -6.201 -10.612
282 HD2 LYS 37 2HD LYS 37 -0.477 -7.919 -12.280
283 HD3 LYS 37 1HD LYS 37 -0.533 -9.173 -11.039
284 HE2 LYS 37 2HE LYS 37 -2.653 -8.291 -10.232
285 HE3 LYS 37 1HE LYS 37 -2.592 -7.013 -11.447
286 HZ1 LYS 37 3HZ LYS 37 -4.025 -8.835 -12.133
287 HZ2 LYS 37 1HZ LYS 37 -2.730 -9.924 -12.015
288 HZ3 LYS 37 2HZ LYS 37 -2.690 -8.687 -13.172
289 HA PRO 103 HA PRO 103 -9.285 10.686 1.903
290 HB2 PRO 103 2HB PRO 103 -9.955 11.629 4.605
291 HB3 PRO 103 1HB PRO 103 -10.719 12.023 3.062
292 HG2 PRO 103 2HG PRO 103 -11.948 10.501 4.904
293 HG3 PRO 103 1HG PRO 103 -12.160 10.226 3.167
294 HD2 PRO 103 2HD PRO 103 -10.416 8.759 5.118
295 HD3 PRO 103 1HD PRO 103 -11.448 8.111 3.823
296 H THR 104 H THR 104 -7.386 11.675 1.884
297 HA THR 104 HA THR 104 -5.249 12.216 2.269
298 HB THR 104 HB THR 104 -4.436 12.750 4.514
299 HG1 THR 104 1HG THR 104 -6.404 11.074 5.311
300 HG21 THR 104 3HG2 THR 104 -5.771 14.405 3.329
301 HG22 THR 104 1HG2 THR 104 -6.058 14.502 5.066
302 HG23 THR 104 2HG2 THR 104 -7.244 13.726 4.019
303 HA PRO 105 HA PRO 105 -3.108 8.435 2.398
304 HB2 PRO 105 2HB PRO 105 -0.561 9.248 2.386
305 HB3 PRO 105 1HB PRO 105 -1.645 9.620 1.045
306 HG2 PRO 105 2HG PRO 105 -0.833 11.371 3.338
307 HG3 PRO 105 1HG PRO 105 -0.899 11.756 1.605
308 HD2 PRO 105 2HD PRO 105 -2.883 12.414 3.359
309 HD3 PRO 105 1HD PRO 105 -3.172 12.081 1.640
310 HA PRO 106 HA PRO 106 -1.950 7.474 6.624
311 HB2 PRO 106 2HB PRO 106 -1.047 4.960 6.228
312 HB3 PRO 106 1HB PRO 106 -2.769 5.350 6.220
313 HG2 PRO 106 2HG PRO 106 -0.968 4.693 3.992
314 HG3 PRO 106 1HG PRO 106 -2.715 4.495 4.106
315 HD2 PRO 106 2HD PRO 106 -1.314 6.568 2.770
316 HD3 PRO 106 1HD PRO 106 -3.057 6.456 3.028
317 HA PRO 107 HA PRO 107 2.327 8.471 6.257
318 HB2 PRO 107 2HB PRO 107 3.261 8.008 8.759
319 HB3 PRO 107 1HB PRO 107 2.195 9.368 8.386
320 HG2 PRO 107 2HG PRO 107 1.549 6.750 9.664
321 HG3 PRO 107 1HG PRO 107 0.921 8.365 10.029
322 HD2 PRO 107 2HD PRO 107 -0.419 6.470 8.536
323 HD3 PRO 107 1HD PRO 107 -0.701 8.219 8.421
324 H LEU 108 H LEU 108 4.334 7.530 5.996
325 HA LEU 108 HA LEU 108 4.117 4.755 5.307
326 HG LEU 108 HG LEU 108 7.467 4.994 5.266
327 HB2 LEU 108 2HB LEU 108 5.139 5.910 3.643
328 HB3 LEU 108 1HB LEU 108 5.905 7.042 4.710
329 HD11 LEU 108 1HD1 LEU 108 6.117 3.401 3.949
330 HD12 LEU 108 2HD1 LEU 108 7.782 3.529 3.380
331 HD13 LEU 108 3HD1 LEU 108 6.486 4.332 2.501
332 HD21 LEU 108 3HD2 LEU 108 8.894 5.721 3.352
333 HD22 LEU 108 1HD2 LEU 108 8.252 7.045 4.329
334 HD23 LEU 108 2HD2 LEU 108 7.521 6.666 2.769
335 HA PRO 109 HA PRO 109 6.324 3.196 8.845
336 HB2 PRO 109 2HB PRO 109 7.226 0.853 7.531
337 HB3 PRO 109 1HB PRO 109 5.792 1.024 8.541
338 HG2 PRO 109 2HG PRO 109 5.881 0.611 5.730
339 HG3 PRO 109 1HG PRO 109 4.477 0.871 6.732
340 HD2 PRO 109 2HD PRO 109 5.804 2.671 4.905
341 HD3 PRO 109 1HD PRO 109 4.220 2.816 5.665
342 HA PRO 110 HA PRO 110 10.691 3.902 8.307
343 HB2 PRO 110 2HB PRO 110 11.761 1.972 9.928
344 HB3 PRO 110 1HB PRO 110 11.076 3.487 10.524
345 HG2 PRO 110 2HG PRO 110 9.845 0.762 10.401
346 HG3 PRO 110 1HG PRO 110 9.759 1.982 11.688
347 HD2 PRO 110 2HD PRO 110 7.736 1.596 9.943
348 HD3 PRO 110 1HD PRO 110 8.123 3.200 10.599
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -2.589 -24.405 -2.564
2 H2 GLY 1 2HT GLY 1 -1.785 -23.627 -3.842
3 H3 GLY 1 3HT GLY 1 -3.474 -23.547 -3.727
4 HA2 GLY 1 1HA GLY 1 -3.286 -22.307 -1.651
5 HA3 GLY 1 2HA GLY 1 -1.536 -22.355 -1.825
6 H ALA 2 H ALA 2 -4.047 -20.361 -2.146
7 HA ALA 2 HA ALA 2 -3.063 -19.091 -4.606
8 HB1 ALA 2 1HB ALA 2 -5.426 -19.708 -4.652
9 HB2 ALA 2 2HB ALA 2 -5.230 -17.954 -4.696
10 HB3 ALA 2 3HB ALA 2 -5.706 -18.751 -3.196
11 H THR 3 H THR 3 -2.747 -16.816 -4.627
12 HA THR 3 HA THR 3 -1.728 -15.720 -2.183
13 HB THR 3 HB THR 3 -1.599 -13.603 -3.709
14 HG1 THR 3 1HG THR 3 -1.902 -13.958 -5.865
15 HG21 THR 3 3HG2 THR 3 0.356 -14.931 -3.111
16 HG22 THR 3 1HG2 THR 3 0.434 -14.462 -4.805
17 HG23 THR 3 2HG2 THR 3 -0.036 -16.104 -4.367
18 H ALA 4 H ALA 4 -2.849 -14.622 -0.688
19 HA ALA 4 HA ALA 4 -5.626 -14.019 -1.153
20 HB1 ALA 4 1HB ALA 4 -3.879 -13.373 1.221
21 HB2 ALA 4 2HB ALA 4 -4.877 -14.814 1.035
22 HB3 ALA 4 3HB ALA 4 -5.638 -13.229 1.164
23 H VAL 5 H VAL 5 -5.853 -12.384 -2.664
24 HA VAL 5 HA VAL 5 -3.994 -10.191 -2.623
25 HB VAL 5 HB VAL 5 -4.678 -11.018 -4.784
26 HG11 VAL 5 1HG1 VAL 5 -6.874 -11.866 -4.310
27 HG12 VAL 5 2HG1 VAL 5 -6.969 -10.710 -5.636
28 HG13 VAL 5 3HG1 VAL 5 -7.481 -10.235 -4.018
29 HG21 VAL 5 3HG2 VAL 5 -5.333 -8.909 -5.844
30 HG22 VAL 5 1HG2 VAL 5 -4.077 -8.677 -4.628
31 HG23 VAL 5 2HG2 VAL 5 -5.749 -8.249 -4.262
32 H SER 6 H SER 6 -4.218 -9.058 -0.902
33 HA SER 6 HA SER 6 -6.735 -8.170 0.112
34 HG SER 6 HG SER 6 -4.875 -9.764 1.031
35 HB2 SER 6 2HB SER 6 -3.969 -7.388 0.968
36 HB3 SER 6 1HB SER 6 -5.459 -7.177 1.890
37 H GLU 7 H GLU 7 -6.386 -5.732 0.975
38 HA GLU 7 HA GLU 7 -6.557 -4.208 -1.436
39 HB2 GLU 7 2HB GLU 7 -6.547 -3.218 1.422
40 HB3 GLU 7 1HB GLU 7 -7.072 -2.325 0.006
41 HG2 GLU 7 2HG GLU 7 -8.410 -4.789 1.094
42 HG3 GLU 7 1HG GLU 7 -8.946 -3.133 1.365
43 H TRP 8 H TRP 8 -4.864 -3.604 -2.404
44 HA TRP 8 HA TRP 8 -2.365 -3.079 -0.909
45 HD1 TRP 8 HD TRP 8 -2.611 -6.631 -4.198
46 HE1 TRP 8 1HE TRP 8 -2.410 -8.743 -2.748
47 HE3 TRP 8 3HE TRP 8 -1.511 -4.406 0.206
48 HZ2 TRP 8 2HZ TRP 8 -1.861 -9.358 -0.041
49 HZ3 TRP 8 3HZ TRP 8 -1.215 -5.813 2.182
50 HH2 TRP 8 HH TRP 8 -1.378 -8.232 2.075
51 HB2 TRP 8 2HB TRP 8 -2.646 -4.094 -3.768
52 HB3 TRP 8 1HB TRP 8 -1.139 -3.827 -2.916
53 H THR 9 H THR 9 -2.211 -0.982 -0.838
54 HA THR 9 HA THR 9 -3.285 0.690 -2.971
55 HB THR 9 HB THR 9 -2.254 1.660 -0.336
56 HG1 THR 9 1HG THR 9 -3.744 0.284 0.447
57 HG21 THR 9 3HG2 THR 9 -3.959 3.392 -0.654
58 HG22 THR 9 1HG2 THR 9 -4.411 2.644 -2.187
59 HG23 THR 9 2HG2 THR 9 -2.798 3.336 -1.982
60 H GLU 10 H GLU 10 -2.109 2.593 -3.546
61 HA GLU 10 HA GLU 10 0.809 2.296 -3.465
62 HB2 GLU 10 2HB GLU 10 0.838 3.598 -5.545
63 HB3 GLU 10 1HB GLU 10 -0.192 2.184 -5.713
64 HG2 GLU 10 2HG GLU 10 -2.168 3.482 -5.504
65 HG3 GLU 10 1HG GLU 10 -1.246 4.919 -5.071
66 H TYR 11 H TYR 11 1.836 3.752 -2.201
67 HA TYR 11 HA TYR 11 0.712 6.456 -2.104
68 HD1 TYR 11 2HD TYR 11 -0.490 7.810 -0.290
69 HD2 TYR 11 1HD TYR 11 -0.449 3.712 0.810
70 HE1 TYR 11 2HE TYR 11 -2.857 7.922 0.186
71 HE2 TYR 11 1HE TYR 11 -2.838 3.809 1.263
72 HH TYR 11 HH TYR 11 -4.812 6.334 0.265
73 HB2 TYR 11 2HB TYR 11 1.599 4.782 0.235
74 HB3 TYR 11 1HB TYR 11 1.677 6.541 0.308
75 H LYS 12 H LYS 12 2.011 7.700 -3.129
76 HA LYS 12 HA LYS 12 4.852 7.136 -3.290
77 HB2 LYS 12 2HB LYS 12 3.795 7.861 -5.346
78 HB3 LYS 12 1HB LYS 12 3.113 9.274 -4.551
79 HG2 LYS 12 2HG LYS 12 4.932 10.074 -5.807
80 HG3 LYS 12 1HG LYS 12 5.494 10.025 -4.137
81 HD2 LYS 12 2HD LYS 12 7.270 9.126 -5.351
82 HD3 LYS 12 1HD LYS 12 6.426 7.715 -4.716
83 HE2 LYS 12 2HE LYS 12 7.026 7.358 -7.033
84 HE3 LYS 12 1HE LYS 12 5.276 7.450 -6.866
85 HZ1 LYS 12 3HZ LYS 12 6.125 8.700 -8.787
86 HZ2 LYS 12 1HZ LYS 12 7.009 9.698 -7.743
87 HZ3 LYS 12 2HZ LYS 12 5.313 9.694 -7.681
88 H THR 13 H THR 13 6.053 7.752 -1.653
89 HA THR 13 HA THR 13 5.213 9.970 0.022
90 HB THR 13 HB THR 13 6.846 9.184 1.605
91 HG1 THR 13 1HG THR 13 8.576 8.082 0.997
92 HG21 THR 13 3HG2 THR 13 4.677 7.763 0.959
93 HG22 THR 13 1HG2 THR 13 5.839 7.181 2.158
94 HG23 THR 13 2HG2 THR 13 5.904 6.569 0.511
95 H ALA 14 H ALA 14 7.149 11.349 0.874
96 HA ALA 14 HA ALA 14 8.007 12.952 -1.282
97 HB1 ALA 14 1HB ALA 14 7.602 13.859 0.937
98 HB2 ALA 14 2HB ALA 14 9.245 14.219 0.403
99 HB3 ALA 14 3HB ALA 14 8.957 12.934 1.579
100 H ASP 15 H ASP 15 9.283 10.109 -0.036
101 HA ASP 15 HA ASP 15 12.055 10.626 -0.581
102 HB2 ASP 15 2HB ASP 15 10.754 7.918 -0.262
103 HB3 ASP 15 1HB ASP 15 12.432 8.359 0.052
104 H GLY 16 H GLY 16 9.346 9.902 -2.450
105 HA2 GLY 16 2HA GLY 16 9.180 9.536 -4.735
106 HA3 GLY 16 1HA GLY 16 10.937 9.429 -4.812
107 H LYS 17 H LYS 17 8.934 7.585 -2.633
108 HA LYS 17 HA LYS 17 9.658 5.141 -4.110
109 HB2 LYS 17 2HB LYS 17 10.819 5.568 -1.860
110 HB3 LYS 17 1HB LYS 17 9.246 5.305 -1.124
111 HG2 LYS 17 2HG LYS 17 10.442 3.267 -0.971
112 HG3 LYS 17 1HG LYS 17 9.216 3.048 -2.223
113 HD2 LYS 17 2HD LYS 17 10.828 3.285 -3.959
114 HD3 LYS 17 1HD LYS 17 12.058 3.840 -2.823
115 HE2 LYS 17 2HE LYS 17 11.976 1.609 -1.730
116 HE3 LYS 17 1HE LYS 17 10.851 1.082 -2.980
117 HZ1 LYS 17 3HZ LYS 17 13.261 0.506 -3.332
118 HZ2 LYS 17 1HZ LYS 17 13.540 2.153 -3.616
119 HZ3 LYS 17 2HZ LYS 17 12.495 1.276 -4.631
120 H THR 18 H THR 18 7.991 3.833 -4.651
121 HA THR 18 HA THR 18 5.315 4.528 -3.761
122 HB THR 18 HB THR 18 6.268 2.434 -5.730
123 HG1 THR 18 1HG THR 18 5.063 4.039 -7.153
124 HG21 THR 18 3HG2 THR 18 3.901 2.274 -6.417
125 HG22 THR 18 1HG2 THR 18 3.456 3.322 -5.072
126 HG23 THR 18 2HG2 THR 18 4.161 1.731 -4.757
127 H TYR 19 H TYR 19 5.020 3.823 -1.682
128 HA TYR 19 HA TYR 19 5.700 1.032 -1.146
129 HD1 TYR 19 2HD TYR 19 3.224 1.254 1.727
130 HD2 TYR 19 1HD TYR 19 5.211 5.004 1.225
131 HE1 TYR 19 2HE TYR 19 1.509 2.353 3.066
132 HE2 TYR 19 1HE TYR 19 3.489 6.096 2.566
133 HH TYR 19 HH TYR 19 1.304 5.800 3.390
134 HB2 TYR 19 2HB TYR 19 5.790 1.500 1.106
135 HB3 TYR 19 1HB TYR 19 6.264 3.047 0.440
136 H TYR 20 H TYR 20 4.125 -0.372 -0.185
137 HA TYR 20 HA TYR 20 1.387 0.272 -1.073
138 HD1 TYR 20 2HD TYR 20 4.676 -1.963 -1.693
139 HD2 TYR 20 1HD TYR 20 0.837 -2.026 -3.557
140 HE1 TYR 20 2HE TYR 20 5.738 -2.256 -3.875
141 HE2 TYR 20 1HE TYR 20 1.902 -2.347 -5.746
142 HH TYR 20 HH TYR 20 4.084 -1.910 -6.833
143 HB2 TYR 20 2HB TYR 20 2.408 -2.509 -0.431
144 HB3 TYR 20 1HB TYR 20 0.937 -2.056 -1.268
145 H TYR 21 H TYR 21 -0.221 0.248 0.436
146 HA TYR 21 HA TYR 21 0.621 -0.554 3.132
147 HD1 TYR 21 2HD TYR 21 1.826 1.462 4.436
148 HD2 TYR 21 1HD TYR 21 -2.462 1.405 4.957
149 HE1 TYR 21 2HE TYR 21 2.095 1.865 6.825
150 HE2 TYR 21 1HE TYR 21 -2.137 1.848 7.337
151 HH TYR 21 HH TYR 21 0.764 2.841 8.701
152 HB2 TYR 21 2HB TYR 21 0.020 1.963 2.502
153 HB3 TYR 21 1HB TYR 21 -1.612 1.385 2.804
154 H ASN 22 H ASN 22 -0.465 -2.074 4.050
155 HA ASN 22 HA ASN 22 -2.401 -3.486 2.436
156 HB2 ASN 22 2HB ASN 22 -1.234 -4.149 5.163
157 HB3 ASN 22 1HB ASN 22 -2.130 -5.245 4.135
158 HD21 ASN 22 1HD2 ASN 22 0.148 -3.129 2.653
159 HD22 ASN 22 2HD2 ASN 22 1.386 -4.300 2.375
160 H ASN 23 H ASN 23 -4.485 -2.728 2.639
161 HA ASN 23 HA ASN 23 -5.436 -1.688 5.126
162 HB2 ASN 23 2HB ASN 23 -6.480 -1.010 3.007
163 HB3 ASN 23 1HB ASN 23 -6.987 -2.665 2.693
164 HD21 ASN 23 1HD2 ASN 23 -7.603 0.229 4.491
165 HD22 ASN 23 2HD2 ASN 23 -9.125 -0.250 5.149
166 H ARG 24 H ARG 24 -4.680 -4.723 4.020
167 HA ARG 24 HA ARG 24 -6.624 -6.512 4.723
168 HE ARG 24 HE ARG 24 -3.967 -10.773 6.288
169 HB2 ARG 24 2HB ARG 24 -4.615 -7.182 3.566
170 HB3 ARG 24 1HB ARG 24 -3.635 -6.804 4.976
171 HG2 ARG 24 2HG ARG 24 -4.777 -8.597 6.217
172 HG3 ARG 24 1HG ARG 24 -5.682 -9.004 4.755
173 HD2 ARG 24 2HD ARG 24 -3.727 -9.673 3.614
174 HD3 ARG 24 1HD ARG 24 -2.679 -8.934 4.823
175 HH11 ARG 24 1HH1 ARG 24 -2.475 -11.054 3.124
176 HH12 ARG 24 2HH1 ARG 24 -1.930 -12.685 3.388
177 HH21 ARG 24 1HH2 ARG 24 -3.215 -12.900 6.641
178 HH22 ARG 24 2HH2 ARG 24 -2.337 -13.723 5.386
179 H THR 25 H THR 25 -3.799 -6.529 6.836
180 HA THR 25 HA THR 25 -5.558 -6.605 9.184
181 HB THR 25 HB THR 25 -3.216 -7.158 10.272
182 HG1 THR 25 1HG THR 25 -1.674 -7.705 8.894
183 HG21 THR 25 3HG2 THR 25 -4.620 -9.143 8.481
184 HG22 THR 25 1HG2 THR 25 -5.126 -8.713 10.113
185 HG23 THR 25 2HG2 THR 25 -3.581 -9.525 9.855
186 H LEU 26 H LEU 26 -4.863 -4.173 7.625
187 HA LEU 26 HA LEU 26 -3.929 -2.113 7.739
188 HG LEU 26 HG LEU 26 -5.686 -0.746 8.926
189 HB2 LEU 26 2HB LEU 26 -4.999 -2.666 10.284
190 HB3 LEU 26 1HB LEU 26 -3.445 -1.914 10.571
191 HD11 LEU 26 1HD1 LEU 26 -4.611 0.062 11.624
192 HD12 LEU 26 2HD1 LEU 26 -6.163 -0.719 11.314
193 HD13 LEU 26 3HD1 LEU 26 -5.858 0.909 10.704
194 HD21 LEU 26 3HD2 LEU 26 -3.464 -0.153 8.080
195 HD22 LEU 26 1HD2 LEU 26 -3.021 0.437 9.680
196 HD23 LEU 26 2HD2 LEU 26 -4.305 1.232 8.770
197 H GLU 27 H GLU 27 -2.259 -3.830 6.946
198 HA GLU 27 HA GLU 27 0.189 -3.806 8.560
199 HB2 GLU 27 2HB GLU 27 -0.661 -6.016 7.752
200 HB3 GLU 27 1HB GLU 27 -0.569 -5.427 6.106
201 HG2 GLU 27 2HG GLU 27 1.291 -6.903 6.691
202 HG3 GLU 27 1HG GLU 27 1.816 -5.285 6.212
203 H SER 28 H SER 28 2.229 -3.352 7.326
204 HA SER 28 HA SER 28 1.704 -1.596 5.021
205 HG SER 28 HG SER 28 4.156 -2.592 7.155
206 HB2 SER 28 2HB SER 28 3.833 -0.471 5.559
207 HB3 SER 28 1HB SER 28 2.662 -0.361 6.880
208 H THR 29 H THR 29 3.107 -1.747 3.225
209 HA THR 29 HA THR 29 5.200 -3.770 3.302
210 HB THR 29 HB THR 29 4.505 -4.368 0.892
211 HG1 THR 29 1HG THR 29 2.818 -2.710 0.893
212 HG21 THR 29 3HG2 THR 29 2.740 -5.355 3.112
213 HG22 THR 29 1HG2 THR 29 4.439 -5.810 2.919
214 HG23 THR 29 2HG2 THR 29 3.263 -6.234 1.671
215 H TRP 30 H TRP 30 6.937 -2.738 2.797
216 HA TRP 30 HA TRP 30 6.889 -0.133 1.602
217 HD1 TRP 30 HD TRP 30 7.980 -0.653 5.057
218 HE1 TRP 30 1HE TRP 30 8.689 1.628 6.007
219 HE3 TRP 30 3HE TRP 30 9.867 1.486 0.807
220 HZ2 TRP 30 2HZ TRP 30 9.860 4.017 5.088
221 HZ3 TRP 30 3HZ TRP 30 10.740 3.778 0.925
222 HH2 TRP 30 HH TRP 30 10.717 5.025 3.031
223 HB2 TRP 30 2HB TRP 30 8.880 -1.934 2.784
224 HB3 TRP 30 1HB TRP 30 9.498 -0.912 1.493
225 H GLU 31 H GLU 31 8.205 -3.273 0.504
226 HA GLU 31 HA GLU 31 7.695 -2.355 -2.230
227 HB2 GLU 31 2HB GLU 31 9.037 -4.241 -2.979
228 HB3 GLU 31 1HB GLU 31 9.948 -3.191 -1.913
229 HG2 GLU 31 2HG GLU 31 9.693 -4.751 -0.093
230 HG3 GLU 31 1HG GLU 31 8.662 -5.781 -1.087
231 H LYS 32 H LYS 32 7.296 -4.788 -3.483
232 HA LYS 32 HA LYS 32 4.547 -5.017 -3.300
233 HB2 LYS 32 2HB LYS 32 6.285 -7.253 -4.311
234 HB3 LYS 32 1HB LYS 32 4.685 -6.785 -4.855
235 HG2 LYS 32 2HG LYS 32 5.771 -4.610 -5.626
236 HG3 LYS 32 1HG LYS 32 7.307 -5.453 -5.400
237 HD2 LYS 32 2HD LYS 32 5.046 -6.173 -7.252
238 HD3 LYS 32 1HD LYS 32 6.693 -5.721 -7.684
239 HE2 LYS 32 2HE LYS 32 5.871 -8.230 -6.224
240 HE3 LYS 32 1HE LYS 32 6.299 -8.131 -7.927
241 HZ1 LYS 32 3HZ LYS 32 8.524 -7.326 -7.193
242 HZ2 LYS 32 1HZ LYS 32 8.177 -8.923 -6.740
243 HZ3 LYS 32 2HZ LYS 32 8.081 -7.678 -5.595
244 HA PRO 33 HA PRO 33 3.780 -7.731 0.204
245 HB2 PRO 33 2HB PRO 33 1.233 -8.352 -0.740
246 HB3 PRO 33 1HB PRO 33 1.610 -7.009 0.331
247 HG2 PRO 33 2HG PRO 33 1.188 -7.022 -2.607
248 HG3 PRO 33 1HG PRO 33 0.749 -5.796 -1.405
249 HD2 PRO 33 2HD PRO 33 2.845 -5.481 -3.048
250 HD3 PRO 33 1HD PRO 33 2.864 -4.882 -1.377
251 H GLN 34 H GLN 34 3.646 -9.954 0.489
252 HA GLN 34 HA GLN 34 4.557 -11.654 -1.563
253 HB2 GLN 34 2HB GLN 34 4.875 -12.088 0.852
254 HB3 GLN 34 1HB GLN 34 3.146 -12.356 1.019
255 HG2 GLN 34 2HG GLN 34 4.009 -14.500 0.926
256 HG3 GLN 34 1HG GLN 34 3.461 -14.205 -0.721
257 HE21 GLN 34 1HE2 GLN 34 5.447 -16.082 0.280
258 HE22 GLN 34 2HE2 GLN 34 6.931 -15.709 -0.525
259 H GLU 35 H GLU 35 1.409 -10.656 -0.563
260 HA GLU 35 HA GLU 35 0.056 -12.766 -2.082
261 HB2 GLU 35 2HB GLU 35 -1.095 -10.729 -0.164
262 HB3 GLU 35 1HB GLU 35 -1.936 -12.116 -0.843
263 HG2 GLU 35 2HG GLU 35 0.459 -12.284 0.976
264 HG3 GLU 35 1HG GLU 35 -1.215 -12.429 1.500
265 H LEU 36 H LEU 36 1.410 -10.344 -3.203
266 HA LEU 36 HA LEU 36 -0.645 -8.645 -4.240
267 HG LEU 36 HG LEU 36 2.207 -6.541 -5.570
268 HB2 LEU 36 2HB LEU 36 1.807 -8.122 -3.753
269 HB3 LEU 36 1HB LEU 36 2.180 -8.954 -5.247
270 HD11 LEU 36 1HD1 LEU 36 1.498 -7.873 -7.471
271 HD12 LEU 36 2HD1 LEU 36 0.645 -6.327 -7.440
272 HD13 LEU 36 3HD1 LEU 36 -0.178 -7.800 -6.918
273 HD21 LEU 36 3HD2 LEU 36 -0.710 -6.498 -4.866
274 HD22 LEU 36 1HD2 LEU 36 0.345 -5.123 -5.200
275 HD23 LEU 36 2HD2 LEU 36 0.569 -6.083 -3.728
276 H LYS 37 H LYS 37 -2.028 -9.361 -5.692
277 HA LYS 37 HA LYS 37 -2.893 -10.102 -7.648
278 HB2 LYS 37 2HB LYS 37 -0.863 -9.267 -8.771
279 HB3 LYS 37 1HB LYS 37 -0.048 -10.784 -8.428
280 HG2 LYS 37 2HG LYS 37 -0.806 -10.711 -10.728
281 HG3 LYS 37 1HG LYS 37 -1.647 -11.976 -9.833
282 HD2 LYS 37 2HD LYS 37 -3.293 -10.911 -11.148
283 HD3 LYS 37 1HD LYS 37 -3.525 -10.306 -9.512
284 HE2 LYS 37 2HE LYS 37 -1.955 -8.840 -11.623
285 HE3 LYS 37 1HE LYS 37 -3.673 -8.579 -11.333
286 HZ1 LYS 37 3HZ LYS 37 -1.453 -8.098 -9.420
287 HZ2 LYS 37 1HZ LYS 37 -3.101 -7.970 -9.028
288 HZ3 LYS 37 2HZ LYS 37 -2.415 -6.927 -10.169
289 HA PRO 103 HA PRO 103 -9.534 12.489 3.245
290 HB2 PRO 103 2HB PRO 103 -8.836 9.645 3.064
291 HB3 PRO 103 1HB PRO 103 -10.042 10.445 4.077
292 HG2 PRO 103 2HG PRO 103 -10.738 8.888 1.998
293 HG3 PRO 103 1HG PRO 103 -11.676 10.324 2.446
294 HD2 PRO 103 2HD PRO 103 -9.670 9.978 0.251
295 HD3 PRO 103 1HD PRO 103 -11.231 10.829 0.225
296 H THR 104 H THR 104 -7.634 11.374 4.596
297 HA THR 104 HA THR 104 -5.225 12.367 3.326
298 HB THR 104 HB THR 104 -5.678 13.122 5.585
299 HG1 THR 104 1HG THR 104 -3.507 11.287 5.408
300 HG21 THR 104 3HG2 THR 104 -5.532 10.232 6.434
301 HG22 THR 104 1HG2 THR 104 -7.011 11.184 6.324
302 HG23 THR 104 2HG2 THR 104 -5.765 11.628 7.489
303 HA PRO 105 HA PRO 105 -3.439 8.277 2.646
304 HB2 PRO 105 2HB PRO 105 -0.885 8.994 2.355
305 HB3 PRO 105 1HB PRO 105 -2.091 9.427 1.145
306 HG2 PRO 105 2HG PRO 105 -0.980 11.106 3.365
307 HG3 PRO 105 1HG PRO 105 -1.199 11.528 1.656
308 HD2 PRO 105 2HD PRO 105 -2.967 12.255 3.580
309 HD3 PRO 105 1HD PRO 105 -3.460 11.903 1.913
310 HA PRO 106 HA PRO 106 -2.090 7.297 6.770
311 HB2 PRO 106 2HB PRO 106 -1.210 4.768 6.420
312 HB3 PRO 106 1HB PRO 106 -2.925 5.170 6.323
313 HG2 PRO 106 2HG PRO 106 -1.031 4.498 4.184
314 HG3 PRO 106 1HG PRO 106 -2.782 4.308 4.219
315 HD2 PRO 106 2HD PRO 106 -1.311 6.392 2.968
316 HD3 PRO 106 1HD PRO 106 -3.065 6.265 3.110
317 HA PRO 107 HA PRO 107 2.131 8.369 6.460
318 HB2 PRO 107 2HB PRO 107 2.763 7.516 9.149
319 HB3 PRO 107 1HB PRO 107 2.501 9.156 8.556
320 HG2 PRO 107 2HG PRO 107 0.814 7.845 10.285
321 HG3 PRO 107 1HG PRO 107 0.319 9.175 9.223
322 HD2 PRO 107 2HD PRO 107 -0.081 6.234 8.897
323 HD3 PRO 107 1HD PRO 107 -1.155 7.578 8.450
324 H LEU 108 H LEU 108 4.177 7.510 6.215
325 HA LEU 108 HA LEU 108 4.084 4.726 5.519
326 HG LEU 108 HG LEU 108 7.408 5.008 5.482
327 HB2 LEU 108 2HB LEU 108 5.072 5.950 3.883
328 HB3 LEU 108 1HB LEU 108 5.827 7.067 4.970
329 HD11 LEU 108 1HD1 LEU 108 6.395 4.402 2.707
330 HD12 LEU 108 2HD1 LEU 108 6.068 3.438 4.146
331 HD13 LEU 108 3HD1 LEU 108 7.716 3.587 3.543
332 HD21 LEU 108 3HD2 LEU 108 8.086 7.154 4.537
333 HD22 LEU 108 1HD2 LEU 108 7.535 6.629 2.945
334 HD23 LEU 108 2HD2 LEU 108 8.896 5.813 3.722
335 HA PRO 109 HA PRO 109 6.253 3.202 9.073
336 HB2 PRO 109 2HB PRO 109 7.289 0.944 7.654
337 HB3 PRO 109 1HB PRO 109 5.908 1.001 8.747
338 HG2 PRO 109 2HG PRO 109 5.834 0.629 5.944
339 HG3 PRO 109 1HG PRO 109 4.481 0.898 7.013
340 HD2 PRO 109 2HD PRO 109 5.723 2.695 5.126
341 HD3 PRO 109 1HD PRO 109 4.167 2.821 5.933
342 HA PRO 110 HA PRO 110 10.465 4.509 8.629
343 HB2 PRO 110 2HB PRO 110 11.054 2.734 10.914
344 HB3 PRO 110 1HB PRO 110 11.237 4.484 10.775
345 HG2 PRO 110 2HG PRO 110 9.299 3.408 12.274
346 HG3 PRO 110 1HG PRO 110 9.032 4.897 11.342
347 HD2 PRO 110 2HD PRO 110 8.203 2.084 10.707
348 HD3 PRO 110 1HD PRO 110 7.286 3.594 10.527
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