NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21844 |
2i9n   |
7283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ARG 1 HA ARG 1 -6.137 6.924 -5.273
2 HE ARG 1 HE ARG 1 -7.206 10.440 -8.238
3 H1 ARG 1 1H ARG 1 -6.721 8.739 -3.115
4 HB2 ARG 1 1HB ARG 1 -8.196 8.728 -4.859
5 HB3 ARG 1 2HB ARG 1 -7.139 9.671 -5.891
6 HG2 ARG 1 1HG ARG 1 -7.064 7.345 -7.280
7 HG3 ARG 1 2HG ARG 1 -8.619 7.124 -6.504
8 HD2 ARG 1 1HD ARG 1 -9.157 8.243 -8.533
9 HD3 ARG 1 2HD ARG 1 -9.198 9.521 -7.335
10 HH11 ARG 1 2HH2 ARG 1 -7.943 7.332 -9.771
11 HH12 ARG 1 1HH2 ARG 1 -6.795 7.549 -11.050
12 HH21 ARG 1 1HH1 ARG 1 -5.482 9.553 -11.121
13 H GLY 2 H GLY 2 -3.856 6.953 -5.503
14 HA2 GLY 2 1HA GLY 2 -2.053 7.816 -6.659
15 HA3 GLY 2 2HA GLY 2 -2.757 9.420 -6.605
16 H LYS 3 H LYS 3 -0.260 7.540 -5.413
17 HA LYS 3 HA LYS 3 -0.142 8.107 -2.719
18 HB2 LYS 3 1HB LYS 3 2.224 7.632 -2.902
19 HB3 LYS 3 2HB LYS 3 1.314 6.514 -3.898
20 HG2 LYS 3 1HG LYS 3 1.946 8.855 -5.488
21 HG3 LYS 3 2HG LYS 3 3.414 8.300 -4.710
22 HD2 LYS 3 1HD LYS 3 3.565 6.715 -6.327
23 HD3 LYS 3 2HD LYS 3 2.197 5.918 -5.577
24 HE2 LYS 3 1HE LYS 3 1.099 8.053 -7.125
25 HE3 LYS 3 2HE LYS 3 2.324 7.311 -8.136
26 HZ1 LYS 3 2HZ LYS 3 0.157 6.195 -8.346
27 HZ3 LYS 3 1HZ LYS 3 0.157 5.807 -6.765
28 H TRP 4 H TRP 4 0.784 9.791 -1.470
29 HA TRP 4 HA TRP 4 0.973 12.318 -2.954
30 HD1 TRP 4 HD1 TRP 4 -1.211 9.801 -0.703
31 HE1 TRP 4 HE1 TRP 4 -1.298 8.753 1.718
32 HE3 TRP 4 HE3 TRP 4 1.372 13.540 1.578
33 HZ2 TRP 4 HZ2 TRP 4 -0.300 9.588 4.258
34 HZ3 TRP 4 HZ3 TRP 4 1.772 13.346 4.031
35 HH2 TRP 4 HH2 TRP 4 0.983 11.456 5.364
36 HB2 TRP 4 1HB TRP 4 0.575 13.287 -0.616
37 HB3 TRP 4 2HB TRP 4 -0.777 12.587 -1.484
38 H THR 5 H THR 5 2.384 13.879 -1.195
39 HA THR 5 HA THR 5 4.792 12.376 -0.486
40 HB THR 5 HB THR 5 6.040 14.388 -1.642
41 HG1 THR 5 HG1 THR 5 3.416 14.252 -2.955
42 HG21 THR 5 3HG2 THR 5 6.340 13.110 -3.568
43 HG22 THR 5 1HG2 THR 5 5.551 11.871 -2.564
44 HG23 THR 5 2HG2 THR 5 4.597 12.796 -3.748
45 H TYR 6 H TYR 6 4.911 12.664 1.656
46 HA TYR 6 HA TYR 6 4.066 15.227 2.746
47 HD1 TYR 6 HD1 TYR 6 2.445 15.286 4.262
48 HD2 TYR 6 HD2 TYR 6 5.268 12.926 6.445
49 HE1 TYR 6 HE1 TYR 6 1.691 16.377 6.431
50 HE2 TYR 6 HE2 TYR 6 4.504 14.025 8.606
51 HH TYR 6 HH TYR 6 2.112 15.185 9.287
52 HB2 TYR 6 1HB TYR 6 3.556 12.743 3.556
53 HB3 TYR 6 2HB TYR 6 5.210 12.740 4.137
54 H ASN 7 H ASN 7 6.886 12.969 3.207
55 HA ASN 7 HA ASN 7 8.528 15.369 3.360
56 HB2 ASN 7 1HB ASN 7 8.357 13.013 5.253
57 HB3 ASN 7 2HB ASN 7 9.930 13.744 5.004
58 HD21 ASN 7 2HD2 ASN 7 7.437 15.331 7.631
59 HD22 ASN 7 1HD2 ASN 7 7.458 13.709 7.024
60 H GLY 8 H GLY 8 8.359 14.234 0.931
61 HA2 GLY 8 1HA GLY 8 9.597 13.337 -0.721
62 HA3 GLY 8 2HA GLY 8 10.932 13.184 0.405
63 H ILE 9 H ILE 9 7.823 11.725 1.252
64 HA ILE 9 HA ILE 9 8.893 9.107 0.466
65 HB ILE 9 HB ILE 9 9.226 8.807 2.650
66 HG12 ILE 9 1HG1 ILE 9 7.334 7.806 3.817
67 HG13 ILE 9 2HG1 ILE 9 6.205 8.561 2.710
68 HG21 ILE 9 1HG2 ILE 9 7.951 10.080 4.445
69 HG22 ILE 9 2HG2 ILE 9 9.014 11.036 3.384
70 HG23 ILE 9 3HG2 ILE 9 7.253 11.045 3.122
71 HD11 ILE 9 3HD1 ILE 9 7.936 7.279 0.958
72 HD12 ILE 9 1HD1 ILE 9 7.881 6.153 2.335
73 HD13 ILE 9 2HD1 ILE 9 6.375 6.628 1.513
74 H THR 10 H THR 10 7.567 8.042 -0.900
75 HA THR 10 HA THR 10 4.953 9.130 -1.413
76 HB THR 10 HB THR 10 6.914 7.255 -2.646
77 HG1 THR 10 HG1 THR 10 4.752 9.089 -3.404
78 HG21 THR 10 3HG2 THR 10 3.952 6.689 -2.598
79 HG22 THR 10 1HG2 THR 10 4.772 6.610 -4.176
80 HG23 THR 10 2HG2 THR 10 5.310 5.564 -2.840
81 H TYR 11 H TYR 11 3.250 8.739 -0.153
82 HA TYR 11 HA TYR 11 3.226 6.330 1.450
83 HD1 TYR 11 HD1 TYR 11 0.830 7.930 4.207
84 HD2 TYR 11 HD2 TYR 11 4.370 8.990 2.051
85 HE1 TYR 11 HE1 TYR 11 1.973 8.571 6.385
86 HE2 TYR 11 HE2 TYR 11 5.501 9.627 4.237
87 HH TYR 11 HH TYR 11 4.562 8.645 7.104
88 HB2 TYR 11 1HB TYR 11 1.694 8.940 1.098
89 HB3 TYR 11 2HB TYR 11 0.865 7.629 1.914
90 H GLU 12 H GLU 12 1.355 4.864 1.501
91 HA GLU 12 HA GLU 12 -0.036 4.833 -1.062
92 HE2 GLU 12 HE2 GLU 12 1.943 0.433 -3.202
93 HB2 GLU 12 1HB GLU 12 1.433 2.617 0.367
94 HB3 GLU 12 2HB GLU 12 0.027 2.206 -0.595
95 HG2 GLU 12 1HG GLU 12 1.015 3.209 -2.598
96 HG3 GLU 12 2HG GLU 12 2.343 3.878 -1.671
97 H GLY 13 H GLY 13 -2.094 3.386 -0.939
98 HA2 GLY 13 1HA GLY 13 -3.773 2.430 0.441
99 HA3 GLY 13 2HA GLY 13 -3.264 3.458 1.767
100 H GLY 14 H GLY 14 -4.338 3.833 -1.694
101 HA2 GLY 14 1HA GLY 14 -5.762 5.281 -2.655
102 HA3 GLY 14 2HA GLY 14 -6.673 5.224 -1.159
103 H GLY 15 H GLY 15 -6.633 6.971 0.268
104 HA2 GLY 15 1HA GLY 15 -4.647 9.084 -0.237
105 HA3 GLY 15 2HA GLY 15 -6.355 9.469 -0.306
106 H GLY 16 H GLY 16 -4.760 10.780 1.556
107 HA2 GLY 16 1HA GLY 16 -5.286 9.404 4.111
108 HA3 GLY 16 2HA GLY 16 -4.112 10.676 3.841
109 H SER 17 H SER 17 -7.168 9.998 5.094
110 HA SER 17 HA SER 17 -8.263 12.579 4.426
111 HG SER 17 HG SER 17 -9.837 11.266 3.385
112 HB2 SER 17 1HB SER 17 -9.294 10.000 5.437
113 HB3 SER 17 2HB SER 17 -9.990 11.379 6.265
114 H ALA 18 H ALA 18 -9.246 13.895 6.324
115 HA ALA 18 HA ALA 18 -7.223 14.007 8.427
116 HB1 ALA 18 3HB ALA 18 -7.676 16.032 7.066
117 HB2 ALA 18 1HB ALA 18 -9.376 15.994 7.592
118 HB3 ALA 18 2HB ALA 18 -8.083 16.282 8.781
119 H ALA 19 H ALA 19 -10.746 13.643 7.823
120 HA ALA 19 HA ALA 19 -11.488 13.721 10.541
121 HB1 ALA 19 3HB ALA 19 -12.696 13.136 7.909
122 HB2 ALA 19 1HB ALA 19 -13.421 12.227 9.257
123 HB3 ALA 19 2HB ALA 19 -13.369 14.006 9.309
124 H GLU 20 H GLU 20 -10.223 11.206 8.360
125 HA GLU 20 HA GLU 20 -11.007 9.005 9.816
126 HE2 GLU 20 HE2 GLU 20 -5.909 8.297 9.392
127 HB2 GLU 20 1HB GLU 20 -9.290 7.798 8.580
128 HB3 GLU 20 2HB GLU 20 -10.033 8.970 7.510
129 HG2 GLU 20 1HG GLU 20 -8.095 10.162 7.268
130 HG3 GLU 20 2HG GLU 20 -7.725 10.089 8.979
131 H ALA 21 H ALA 21 -8.835 11.543 10.652
132 HA ALA 21 HA ALA 21 -6.779 10.477 11.989
133 HB1 ALA 21 3HB ALA 21 -8.627 12.788 12.539
134 HB2 ALA 21 1HB ALA 21 -7.372 12.381 13.733
135 HB3 ALA 21 2HB ALA 21 -6.912 12.795 12.064
136 H TYR 22 H TYR 22 -10.164 10.762 13.268
137 HA TYR 22 HA TYR 22 -9.550 9.438 15.690
138 HD1 TYR 22 HD1 TYR 22 -12.947 10.914 12.846
139 HD2 TYR 22 HD2 TYR 22 -12.584 7.444 15.322
140 HE1 TYR 22 HE1 TYR 22 -14.745 9.744 11.482
141 HE2 TYR 22 HE2 TYR 22 -14.383 6.285 13.950
142 HH TYR 22 HH TYR 22 -16.022 6.630 12.479
143 HB2 TYR 22 1HB TYR 22 -11.851 9.896 16.040
144 HB3 TYR 22 2HB TYR 22 -11.556 11.001 14.712
145 H ALA 23 H ALA 23 -10.679 8.379 12.456
146 HA ALA 23 HA ALA 23 -11.546 5.837 13.164
147 HB1 ALA 23 3HB ALA 23 -10.627 7.252 10.699
148 HB2 ALA 23 1HB ALA 23 -10.646 5.473 10.644
149 HB3 ALA 23 2HB ALA 23 -12.140 6.367 11.014
150 H LYS 24 H LYS 24 -8.330 6.815 11.762
151 HA LYS 24 HA LYS 24 -7.039 4.472 11.874
152 HB2 LYS 24 1HB LYS 24 -6.318 7.270 11.867
153 HB3 LYS 24 2HB LYS 24 -5.183 6.367 12.850
154 HG2 LYS 24 1HG LYS 24 -6.023 5.414 10.081
155 HG3 LYS 24 2HG LYS 24 -4.686 6.523 10.310
156 HD2 LYS 24 1HD LYS 24 -3.300 4.883 11.099
157 HD3 LYS 24 2HD LYS 24 -4.543 4.194 12.125
158 HE2 LYS 24 1HE LYS 24 -5.581 3.116 10.091
159 HE3 LYS 24 2HE LYS 24 -4.275 3.753 9.112
160 HZ1 LYS 24 2HZ LYS 24 -3.388 2.292 11.448
161 HZ3 LYS 24 1HZ LYS 24 -2.853 2.195 9.913
162 H ARG 25 H ARG 25 -7.725 6.656 14.655
163 HA ARG 25 HA ARG 25 -6.235 5.178 16.471
164 HE ARG 25 HE ARG 25 -7.492 7.447 19.965
165 HB2 ARG 25 1HB ARG 25 -8.559 7.127 16.748
166 HB3 ARG 25 2HB ARG 25 -7.860 6.364 18.162
167 HG2 ARG 25 1HG ARG 25 -5.557 7.201 17.079
168 HG3 ARG 25 2HG ARG 25 -6.601 8.342 16.255
169 HD2 ARG 25 1HD ARG 25 -5.699 9.231 18.434
170 HD3 ARG 25 2HD ARG 25 -7.450 9.214 18.377
171 HH11 ARG 25 2HH2 ARG 25 -4.165 8.178 18.990
172 HH12 ARG 25 1HH2 ARG 25 -3.455 7.264 20.279
173 HH21 ARG 25 1HH1 ARG 25 -4.879 6.134 21.840
174 H ILE 26 H ILE 26 -9.802 5.274 15.756
175 HA ILE 26 HA ILE 26 -10.604 3.380 17.579
176 HB ILE 26 HB ILE 26 -11.660 4.214 14.890
177 HG12 ILE 26 1HG1 ILE 26 -12.291 4.870 17.762
178 HG13 ILE 26 2HG1 ILE 26 -11.895 5.956 16.445
179 HG21 ILE 26 1HG2 ILE 26 -12.275 1.831 15.372
180 HG22 ILE 26 2HG2 ILE 26 -13.106 2.404 16.838
181 HG23 ILE 26 3HG2 ILE 26 -13.653 2.949 15.234
182 HD11 ILE 26 3HD1 ILE 26 -14.498 4.580 17.060
183 HD12 ILE 26 1HD1 ILE 26 -14.199 6.245 16.506
184 HD13 ILE 26 2HD1 ILE 26 -14.105 4.892 15.352
185 H ALA 27 H ALA 27 -8.722 3.027 14.639
186 HA ALA 27 HA ALA 27 -9.235 0.559 13.736
187 HB1 ALA 27 3HB ALA 27 -7.415 2.204 13.046
188 HB2 ALA 27 1HB ALA 27 -6.425 1.532 14.364
189 HB3 ALA 27 2HB ALA 27 -6.948 0.487 13.021
190 H GLU 28 H GLU 28 -7.714 1.428 16.859
191 HA GLU 28 HA GLU 28 -6.991 -1.245 17.431
192 HE2 GLU 28 HE2 GLU 28 -2.468 -0.090 19.894
193 HB2 GLU 28 1HB GLU 28 -7.156 1.294 19.096
194 HB3 GLU 28 2HB GLU 28 -6.697 -0.242 19.803
195 HG2 GLU 28 1HG GLU 28 -5.077 -0.174 17.553
196 HG3 GLU 28 2HG GLU 28 -5.165 1.527 17.965
197 H ALA 29 H ALA 29 -9.489 1.010 18.827
198 HA ALA 29 HA ALA 29 -10.762 -0.630 20.520
199 HB1 ALA 29 3HB ALA 29 -12.392 0.965 20.483
200 HB2 ALA 29 1HB ALA 29 -11.231 1.831 19.449
201 HB3 ALA 29 2HB ALA 29 -12.560 0.903 18.712
202 H MET 30 H MET 30 -11.169 -0.554 16.927
203 HA MET 30 HA MET 30 -13.226 -2.267 16.669
204 HB2 MET 30 1HB MET 30 -10.662 -1.878 15.053
205 HB3 MET 30 2HB MET 30 -11.901 -2.985 14.497
206 HG2 MET 30 1HG MET 30 -13.304 -0.613 15.190
207 HG3 MET 30 2HG MET 30 -11.855 -0.057 14.376
208 HE1 MET 30 3HE MET 30 -11.930 -1.712 10.956
209 HE2 MET 30 1HE MET 30 -11.711 -0.079 11.628
210 HE3 MET 30 2HE MET 30 -10.901 -1.470 12.387
211 H ALA 31 H ALA 31 -9.709 -3.191 16.807
212 HA ALA 31 HA ALA 31 -10.156 -5.941 16.709
213 HB1 ALA 31 3HB ALA 31 -7.997 -4.636 16.339
214 HB2 ALA 31 1HB ALA 31 -7.865 -4.517 18.110
215 HB3 ALA 31 2HB ALA 31 -7.845 -6.113 17.320
216 H LYS 32 H LYS 32 -10.171 -7.554 18.381
217 HA LYS 32 HA LYS 32 -10.202 -6.799 21.112
218 HB2 LYS 32 1HB LYS 32 -12.484 -6.010 20.176
219 HB3 LYS 32 2HB LYS 32 -12.892 -7.712 20.096
220 HG2 LYS 32 1HG LYS 32 -12.391 -7.970 22.519
221 HG3 LYS 32 2HG LYS 32 -11.911 -6.287 22.615
222 HD2 LYS 32 1HD LYS 32 -14.382 -5.945 21.535
223 HD3 LYS 32 2HD LYS 32 -14.662 -7.469 22.353
224 HE2 LYS 32 1HE LYS 32 -13.576 -6.332 24.444
225 HE3 LYS 32 2HE LYS 32 -13.796 -4.823 23.581
226 HZ1 LYS 32 2HZ LYS 32 -16.032 -6.717 24.042
227 HZ3 LYS 32 1HZ LYS 32 -16.147 -5.177 23.527
228 H GLY 33 H GLY 33 -10.574 -8.742 22.520
229 HA2 GLY 33 1HA GLY 33 -9.941 -11.209 21.012
230 HA3 GLY 33 2HA GLY 33 -9.239 -10.787 22.561
Start of MODEL 2
1 HA ARG 1 HA ARG 1 -5.697 6.079 4.314
2 HE ARG 1 HE ARG 1 -2.134 3.158 6.279
3 H1 ARG 1 1H ARG 1 -7.761 4.202 4.290
4 HB2 ARG 1 1HB ARG 1 -5.955 3.260 3.179
5 HB3 ARG 1 2HB ARG 1 -4.461 4.165 3.036
6 HG2 ARG 1 1HG ARG 1 -5.803 3.863 5.742
7 HG3 ARG 1 2HG ARG 1 -4.810 2.567 5.105
8 HD2 ARG 1 1HD ARG 1 -3.067 4.571 4.673
9 HD3 ARG 1 2HD ARG 1 -3.990 5.350 5.943
10 HH11 ARG 1 2HH2 ARG 1 -5.164 4.463 7.572
11 HH12 ARG 1 1HH2 ARG 1 -4.949 3.747 9.134
12 HH21 ARG 1 1HH1 ARG 1 -2.994 2.429 9.564
13 H GLY 2 H GLY 2 -4.369 6.783 2.415
14 HA2 GLY 2 1HA GLY 2 -5.036 6.395 -0.243
15 HA3 GLY 2 2HA GLY 2 -5.992 7.761 0.299
16 H LYS 3 H LYS 3 -2.778 6.586 -0.510
17 HA LYS 3 HA LYS 3 -1.211 8.572 0.607
18 HB2 LYS 3 1HB LYS 3 0.473 7.882 -0.949
19 HB3 LYS 3 2HB LYS 3 -0.411 6.459 -0.435
20 HG2 LYS 3 1HG LYS 3 -1.404 7.883 -2.896
21 HG3 LYS 3 2HG LYS 3 0.093 6.983 -3.040
22 HD2 LYS 3 1HD LYS 3 -1.662 5.274 -1.596
23 HD3 LYS 3 2HD LYS 3 -2.650 5.981 -2.859
24 HE2 LYS 3 1HE LYS 3 -1.546 4.860 -4.531
25 HE3 LYS 3 2HE LYS 3 0.029 5.138 -3.814
26 HZ1 LYS 3 2HZ LYS 3 -0.294 3.302 -2.344
27 HZ3 LYS 3 1HZ LYS 3 -0.755 2.757 -3.807
28 H TRP 4 H TRP 4 -0.149 10.442 -0.485
29 HA TRP 4 HA TRP 4 -1.981 11.682 -2.423
30 HD1 TRP 4 HD1 TRP 4 -1.394 11.322 1.641
31 HE1 TRP 4 HE1 TRP 4 0.467 11.879 3.428
32 HE3 TRP 4 HE3 TRP 4 0.771 15.082 -1.011
33 HZ2 TRP 4 HZ2 TRP 4 2.587 13.786 3.529
34 HZ3 TRP 4 HZ3 TRP 4 2.731 16.240 0.003
35 HH2 TRP 4 HH2 TRP 4 3.641 15.647 2.193
36 HB2 TRP 4 1HB TRP 4 -1.262 13.863 -1.315
37 HB3 TRP 4 2HB TRP 4 -2.453 12.868 -0.499
38 H THR 5 H THR 5 -0.854 11.527 -4.335
39 HA THR 5 HA THR 5 1.978 11.434 -4.420
40 HB THR 5 HB THR 5 -0.010 12.034 -6.668
41 HG1 THR 5 HG1 THR 5 -0.746 10.120 -5.713
42 HG21 THR 5 3HG2 THR 5 2.304 12.095 -7.458
43 HG22 THR 5 1HG2 THR 5 2.714 10.648 -6.507
44 HG23 THR 5 2HG2 THR 5 1.631 10.511 -7.912
45 H TYR 6 H TYR 6 2.963 13.175 -3.436
46 HA TYR 6 HA TYR 6 2.325 15.788 -4.627
47 HD1 TYR 6 HD1 TYR 6 4.263 17.884 -1.868
48 HD2 TYR 6 HD2 TYR 6 0.376 16.244 -2.579
49 HE1 TYR 6 HE1 TYR 6 3.212 20.149 -1.391
50 HE2 TYR 6 HE2 TYR 6 -0.662 18.515 -2.099
51 HH TYR 6 HH TYR 6 0.004 20.848 -2.176
52 HB2 TYR 6 1HB TYR 6 2.478 14.809 -1.964
53 HB3 TYR 6 2HB TYR 6 4.039 15.575 -2.187
54 H ASN 7 H ASN 7 3.908 16.925 -5.694
55 HA ASN 7 HA ASN 7 5.845 17.451 -6.527
56 HB2 ASN 7 1HB ASN 7 6.581 16.585 -3.982
57 HB3 ASN 7 2HB ASN 7 7.561 15.546 -4.998
58 HD21 ASN 7 2HD2 ASN 7 9.985 17.955 -5.445
59 HD22 ASN 7 1HD2 ASN 7 9.515 16.307 -5.191
60 H GLY 8 H GLY 8 4.197 14.990 -7.270
61 HA2 GLY 8 1HA GLY 8 4.291 13.422 -8.888
62 HA3 GLY 8 2HA GLY 8 5.926 13.931 -9.261
63 H ILE 9 H ILE 9 4.876 12.896 -5.994
64 HA ILE 9 HA ILE 9 6.043 10.274 -6.399
65 HB ILE 9 HB ILE 9 7.751 10.442 -4.862
66 HG12 ILE 9 1HG1 ILE 9 7.775 12.955 -3.668
67 HG13 ILE 9 2HG1 ILE 9 6.080 12.511 -3.647
68 HG21 ILE 9 1HG2 ILE 9 8.219 11.654 -6.976
69 HG22 ILE 9 2HG2 ILE 9 7.756 13.174 -6.173
70 HG23 ILE 9 3HG2 ILE 9 9.164 12.253 -5.591
71 HD11 ILE 9 3HD1 ILE 9 7.746 11.719 -1.708
72 HD12 ILE 9 1HD1 ILE 9 6.425 10.666 -2.269
73 HD13 ILE 9 2HD1 ILE 9 8.083 10.403 -2.860
74 H THR 10 H THR 10 5.165 8.720 -5.018
75 HA THR 10 HA THR 10 2.888 9.686 -3.459
76 HB THR 10 HB THR 10 3.596 7.300 -5.069
77 HG1 THR 10 HG1 THR 10 1.780 8.686 -5.496
78 HG21 THR 10 3HG2 THR 10 1.792 6.038 -3.543
79 HG22 THR 10 1HG2 THR 10 3.528 5.901 -3.172
80 HG23 THR 10 2HG2 THR 10 2.509 7.035 -2.254
81 H TYR 11 H TYR 11 2.661 9.456 -1.276
82 HA TYR 11 HA TYR 11 5.105 8.632 0.107
83 HD1 TYR 11 HD1 TYR 11 4.691 11.682 2.829
84 HD2 TYR 11 HD2 TYR 11 4.617 11.020 -1.398
85 HE1 TYR 11 HE1 TYR 11 6.249 13.661 2.484
86 HE2 TYR 11 HE2 TYR 11 6.176 13.001 -1.728
87 HH TYR 11 HH TYR 11 7.265 14.921 1.058
88 HB2 TYR 11 1HB TYR 11 2.618 10.338 0.647
89 HB3 TYR 11 2HB TYR 11 3.594 9.800 1.999
90 H GLU 12 H GLU 12 4.284 7.944 2.585
91 HA GLU 12 HA GLU 12 2.526 5.678 2.049
92 HE2 GLU 12 HE2 GLU 12 4.484 2.434 0.792
93 HB2 GLU 12 1HB GLU 12 5.003 5.955 3.768
94 HB3 GLU 12 2HB GLU 12 3.812 4.727 4.149
95 HG2 GLU 12 1HG GLU 12 4.305 4.659 1.297
96 HG3 GLU 12 2HG GLU 12 5.851 4.652 2.122
97 H GLY 13 H GLY 13 3.606 8.085 4.531
98 HA2 GLY 13 1HA GLY 13 1.525 9.231 5.462
99 HA3 GLY 13 2HA GLY 13 1.085 7.618 5.989
100 H GLY 14 H GLY 14 4.108 9.654 5.977
101 HA2 GLY 14 1HA GLY 14 5.743 9.812 7.541
102 HA3 GLY 14 2HA GLY 14 4.395 10.237 8.577
103 H GLY 15 H GLY 15 5.343 9.287 10.461
104 HA2 GLY 15 1HA GLY 15 5.972 6.439 10.384
105 HA3 GLY 15 2HA GLY 15 6.251 7.561 11.701
106 H GLY 16 H GLY 16 3.317 6.595 9.770
107 HA2 GLY 16 1HA GLY 16 1.980 5.002 11.436
108 HA3 GLY 16 2HA GLY 16 1.737 6.555 12.212
109 H SER 17 H SER 17 -0.104 7.610 11.630
110 HA SER 17 HA SER 17 -0.810 7.665 8.856
111 HG SER 17 HG SER 17 -4.267 7.044 9.651
112 HB2 SER 17 1HB SER 17 -1.954 5.614 9.600
113 HB3 SER 17 2HB SER 17 -2.678 6.468 10.949
114 H ALA 18 H ALA 18 -2.770 9.206 8.536
115 HA ALA 18 HA ALA 18 -2.539 11.330 10.541
116 HB1 ALA 18 3HB ALA 18 -3.707 12.547 8.455
117 HB2 ALA 18 1HB ALA 18 -1.944 12.318 8.547
118 HB3 ALA 18 2HB ALA 18 -2.937 11.206 7.574
119 H ALA 19 H ALA 19 -4.807 9.227 8.726
120 HA ALA 19 HA ALA 19 -7.148 10.493 9.663
121 HB1 ALA 19 3HB ALA 19 -8.194 8.313 8.896
122 HB2 ALA 19 1HB ALA 19 -7.207 9.145 7.670
123 HB3 ALA 19 2HB ALA 19 -6.550 7.734 8.533
124 H GLU 20 H GLU 20 -4.788 8.365 11.112
125 HA GLU 20 HA GLU 20 -6.169 6.852 12.815
126 HE2 GLU 20 HE2 GLU 20 -3.370 7.882 15.956
127 HB2 GLU 20 1HB GLU 20 -4.234 6.925 14.294
128 HB3 GLU 20 2HB GLU 20 -3.676 6.981 12.633
129 HG2 GLU 20 1HG GLU 20 -3.151 9.302 12.749
130 HG3 GLU 20 2HG GLU 20 -4.174 9.563 14.147
131 H ALA 21 H ALA 21 -5.969 10.373 12.804
132 HA ALA 21 HA ALA 21 -6.444 11.134 15.329
133 HB1 ALA 21 3HB ALA 21 -8.342 12.447 13.564
134 HB2 ALA 21 1HB ALA 21 -6.835 13.079 14.271
135 HB3 ALA 21 2HB ALA 21 -6.791 12.188 12.730
136 H TYR 22 H TYR 22 -8.965 9.907 13.018
137 HA TYR 22 HA TYR 22 -10.612 9.314 15.386
138 HD1 TYR 22 HD1 TYR 22 -12.707 7.831 12.693
139 HD2 TYR 22 HD2 TYR 22 -10.856 11.407 11.246
140 HE1 TYR 22 HE1 TYR 22 -13.094 7.071 10.298
141 HE2 TYR 22 HE2 TYR 22 -11.249 10.635 8.856
142 HH TYR 22 HH TYR 22 -13.209 7.837 8.165
143 HB2 TYR 22 1HB TYR 22 -12.470 10.085 14.087
144 HB3 TYR 22 2HB TYR 22 -11.205 11.166 13.535
145 H ALA 23 H ALA 23 -9.549 8.328 12.089
146 HA ALA 23 HA ALA 23 -11.009 6.044 11.777
147 HB1 ALA 23 3HB ALA 23 -9.177 5.317 10.312
148 HB2 ALA 23 1HB ALA 23 -9.476 7.060 10.108
149 HB3 ALA 23 2HB ALA 23 -8.083 6.502 11.065
150 H LYS 24 H LYS 24 -7.945 6.527 13.638
151 HA LYS 24 HA LYS 24 -7.487 3.896 14.304
152 HB2 LYS 24 1HB LYS 24 -6.162 6.149 14.725
153 HB3 LYS 24 2HB LYS 24 -6.951 6.080 16.287
154 HG2 LYS 24 1HG LYS 24 -5.689 3.538 15.293
155 HG3 LYS 24 2HG LYS 24 -4.601 4.823 15.778
156 HD2 LYS 24 1HD LYS 24 -6.473 4.816 17.849
157 HD3 LYS 24 2HD LYS 24 -6.358 3.115 17.444
158 HE2 LYS 24 1HE LYS 24 -3.697 4.345 17.497
159 HE3 LYS 24 2HE LYS 24 -4.535 4.621 19.011
160 HZ1 LYS 24 2HZ LYS 24 -3.729 2.071 17.821
161 HZ3 LYS 24 1HZ LYS 24 -5.086 2.067 18.722
162 H ARG 25 H ARG 25 -9.620 6.346 15.881
163 HA ARG 25 HA ARG 25 -10.308 4.698 18.002
164 HE ARG 25 HE ARG 25 -8.298 5.947 18.465
165 HB2 ARG 25 1HB ARG 25 -11.733 7.058 16.686
166 HB3 ARG 25 2HB ARG 25 -12.343 6.292 18.140
167 HG2 ARG 25 1HG ARG 25 -9.620 7.634 17.809
168 HG3 ARG 25 2HG ARG 25 -10.972 8.245 18.743
169 HD2 ARG 25 1HD ARG 25 -10.023 7.176 20.522
170 HD3 ARG 25 2HD ARG 25 -10.648 5.698 19.818
171 HH11 ARG 25 2HH2 ARG 25 -9.010 6.249 21.923
172 HH12 ARG 25 1HH2 ARG 25 -7.438 5.718 22.419
173 HH21 ARG 25 1HH1 ARG 25 -5.816 5.134 20.754
174 H ILE 26 H ILE 26 -11.582 5.117 14.682
175 HA ILE 26 HA ILE 26 -14.022 3.840 14.986
176 HB ILE 26 HB ILE 26 -12.170 3.960 12.603
177 HG12 ILE 26 1HG1 ILE 26 -12.994 6.128 13.778
178 HG13 ILE 26 2HG1 ILE 26 -13.107 5.990 12.035
179 HG21 ILE 26 1HG2 ILE 26 -14.836 2.763 12.987
180 HG22 ILE 26 2HG2 ILE 26 -14.694 3.853 11.588
181 HG23 ILE 26 3HG2 ILE 26 -13.599 2.458 11.744
182 HD11 ILE 26 3HD1 ILE 26 -15.452 5.016 13.650
183 HD12 ILE 26 1HD1 ILE 26 -15.201 6.773 13.516
184 HD13 ILE 26 2HD1 ILE 26 -15.424 5.791 12.048
185 H ALA 27 H ALA 27 -10.817 2.461 13.967
186 HA ALA 27 HA ALA 27 -11.543 -0.131 13.652
187 HB1 ALA 27 3HB ALA 27 -9.222 1.245 13.602
188 HB2 ALA 27 1HB ALA 27 -9.011 0.394 15.151
189 HB3 ALA 27 2HB ALA 27 -9.284 -0.533 13.656
190 H GLU 28 H GLU 28 -10.625 1.513 16.755
191 HA GLU 28 HA GLU 28 -10.808 -0.657 18.376
192 HE2 GLU 28 HE2 GLU 28 -9.698 3.217 21.126
193 HB2 GLU 28 1HB GLU 28 -11.457 2.272 18.881
194 HB3 GLU 28 2HB GLU 28 -11.459 1.086 20.170
195 HG2 GLU 28 1HG GLU 28 -9.035 0.607 18.805
196 HG3 GLU 28 2HG GLU 28 -9.180 2.353 18.813
197 H ALA 29 H ALA 29 -13.447 1.784 17.774
198 HA ALA 29 HA ALA 29 -15.448 0.596 19.162
199 HB1 ALA 29 3HB ALA 29 -15.234 2.348 16.760
200 HB2 ALA 29 1HB ALA 29 -16.807 1.556 17.018
201 HB3 ALA 29 2HB ALA 29 -16.118 2.599 18.285
202 H MET 30 H MET 30 -14.715 0.023 15.642
203 HA MET 30 HA MET 30 -16.538 -1.836 15.102
204 HB2 MET 30 1HB MET 30 -13.565 -1.845 14.340
205 HB3 MET 30 2HB MET 30 -14.779 -2.797 13.509
206 HG2 MET 30 1HG MET 30 -15.923 -0.251 13.496
207 HG3 MET 30 2HG MET 30 -14.217 0.111 13.325
208 HE1 MET 30 3HE MET 30 -16.796 -0.225 10.184
209 HE2 MET 30 1HE MET 30 -17.301 -1.717 11.012
210 HE3 MET 30 2HE MET 30 -17.161 -0.195 11.925
211 H ALA 31 H ALA 31 -13.267 -2.540 16.530
212 HA ALA 31 HA ALA 31 -12.482 -4.311 17.605
213 HB1 ALA 31 3HB ALA 31 -15.350 -4.239 18.596
214 HB2 ALA 31 1HB ALA 31 -14.138 -5.362 19.258
215 HB3 ALA 31 2HB ALA 31 -13.891 -3.604 19.393
216 H LYS 32 H LYS 32 -13.103 -4.787 14.898
217 HA LYS 32 HA LYS 32 -13.237 -6.479 13.483
218 HB2 LYS 32 1HB LYS 32 -11.978 -7.663 15.381
219 HB3 LYS 32 2HB LYS 32 -13.509 -8.408 15.793
220 HG2 LYS 32 1HG LYS 32 -13.525 -8.903 13.122
221 HG3 LYS 32 2HG LYS 32 -11.791 -8.808 13.358
222 HD2 LYS 32 1HD LYS 32 -11.714 -10.720 14.672
223 HD3 LYS 32 2HD LYS 32 -13.295 -10.439 15.373
224 HE2 LYS 32 1HE LYS 32 -13.633 -12.324 13.967
225 HE3 LYS 32 2HE LYS 32 -14.263 -10.988 13.024
226 HZ1 LYS 32 2HZ LYS 32 -11.741 -12.449 12.631
227 HZ3 LYS 32 1HZ LYS 32 -11.839 -10.913 12.102
228 H GLY 33 H GLY 33 -15.589 -4.991 14.659
229 HA2 GLY 33 1HA GLY 33 -17.625 -6.560 13.366
230 HA3 GLY 33 2HA GLY 33 -17.828 -6.465 15.104
Start of MODEL 3
1 HA ARG 1 HA ARG 1 0.143 14.019 11.079
2 HE ARG 1 HE ARG 1 -1.078 11.676 16.014
3 H1 ARG 1 1H ARG 1 -1.273 11.954 9.594
4 HB2 ARG 1 1HB ARG 1 -0.400 11.120 11.611
5 HB3 ARG 1 2HB ARG 1 1.212 11.667 12.027
6 HG2 ARG 1 1HG ARG 1 0.469 12.921 13.795
7 HG3 ARG 1 2HG ARG 1 -0.901 13.549 12.901
8 HD2 ARG 1 1HD ARG 1 -2.256 12.133 14.046
9 HD3 ARG 1 2HD ARG 1 -1.454 10.778 13.276
10 HH11 ARG 1 2HH2 ARG 1 0.580 10.093 13.312
11 HH12 ARG 1 1HH2 ARG 1 1.705 9.257 14.331
12 HH21 ARG 1 1HH1 ARG 1 1.583 9.555 16.706
13 H GLY 2 H GLY 2 1.259 14.680 9.073
14 HA2 GLY 2 1HA GLY 2 3.027 14.679 7.686
15 HA3 GLY 2 2HA GLY 2 3.751 13.448 8.703
16 H LYS 3 H LYS 3 4.336 13.187 6.087
17 HA LYS 3 HA LYS 3 2.494 11.880 4.480
18 HB2 LYS 3 1HB LYS 3 5.520 11.823 4.562
19 HB3 LYS 3 2HB LYS 3 4.585 11.019 3.318
20 HG2 LYS 3 1HG LYS 3 4.078 12.981 2.261
21 HG3 LYS 3 2HG LYS 3 3.687 13.796 3.763
22 HD2 LYS 3 1HD LYS 3 6.500 13.399 3.851
23 HD3 LYS 3 2HD LYS 3 6.162 13.891 2.203
24 HE2 LYS 3 1HE LYS 3 4.788 15.435 4.390
25 HE3 LYS 3 2HE LYS 3 6.514 15.678 4.213
26 HZ1 LYS 3 2HZ LYS 3 6.077 16.976 2.452
27 HZ3 LYS 3 1HZ LYS 3 4.475 16.719 2.592
28 H TRP 4 H TRP 4 2.117 9.650 4.015
29 HA TRP 4 HA TRP 4 2.875 7.900 6.255
30 HD1 TRP 4 HD1 TRP 4 0.123 10.400 4.745
31 HE1 TRP 4 HE1 TRP 4 -1.519 10.663 2.696
32 HE3 TRP 4 HE3 TRP 4 -0.258 5.430 3.740
33 HZ2 TRP 4 HZ2 TRP 4 -2.766 8.805 0.925
34 HZ3 TRP 4 HZ3 TRP 4 -1.709 4.739 1.834
35 HH2 TRP 4 HH2 TRP 4 -2.937 6.334 0.449
36 HB2 TRP 4 1HB TRP 4 0.793 6.610 5.478
37 HB3 TRP 4 2HB TRP 4 0.593 8.063 6.437
38 H THR 5 H THR 5 2.375 5.430 5.184
39 HA THR 5 HA THR 5 3.769 5.356 2.607
40 HB THR 5 HB THR 5 5.083 3.367 3.730
41 HG1 THR 5 HG1 THR 5 4.956 3.446 5.996
42 HG21 THR 5 3HG2 THR 5 6.869 4.793 4.264
43 HG22 THR 5 1HG2 THR 5 5.885 5.902 3.278
44 HG23 THR 5 2HG2 THR 5 5.809 5.984 5.055
45 H TYR 6 H TYR 6 2.283 4.516 1.274
46 HA TYR 6 HA TYR 6 0.516 2.451 2.331
47 HD1 TYR 6 HD1 TYR 6 -1.483 2.506 2.371
48 HD2 TYR 6 HD2 TYR 6 -1.251 3.308 -1.825
49 HE1 TYR 6 HE1 TYR 6 -3.767 1.440 2.033
50 HE2 TYR 6 HE2 TYR 6 -3.535 2.240 -2.149
51 HH TYR 6 HH TYR 6 -5.123 1.076 -1.220
52 HB2 TYR 6 1HB TYR 6 0.002 4.629 0.852
53 HB3 TYR 6 2HB TYR 6 0.638 3.678 -0.476
54 H ASN 7 H ASN 7 2.650 3.031 -0.559
55 HA ASN 7 HA ASN 7 2.736 0.146 -0.867
56 HB2 ASN 7 1HB ASN 7 2.088 1.452 -2.882
57 HB3 ASN 7 2HB ASN 7 3.543 2.421 -2.756
58 HD21 ASN 7 2HD2 ASN 7 3.510 -1.147 -4.665
59 HD22 ASN 7 1HD2 ASN 7 2.113 -0.349 -4.023
60 H GLY 8 H GLY 8 4.970 2.955 -1.543
61 HA2 GLY 8 1HA GLY 8 6.943 2.168 0.332
62 HA3 GLY 8 2HA GLY 8 7.356 1.563 -1.260
63 H ILE 9 H ILE 9 5.474 4.563 -0.687
64 HA ILE 9 HA ILE 9 7.837 6.167 -1.223
65 HB ILE 9 HB ILE 9 7.367 6.250 -3.390
66 HG12 ILE 9 1HG1 ILE 9 5.849 8.001 -4.068
67 HG13 ILE 9 2HG1 ILE 9 4.954 7.886 -2.566
68 HG21 ILE 9 1HG2 ILE 9 5.101 5.651 -4.352
69 HG22 ILE 9 2HG2 ILE 9 5.955 4.356 -3.479
70 HG23 ILE 9 3HG2 ILE 9 4.612 5.222 -2.695
71 HD11 ILE 9 3HD1 ILE 9 6.372 9.354 -1.595
72 HD12 ILE 9 1HD1 ILE 9 7.733 8.247 -1.896
73 HD13 ILE 9 2HD1 ILE 9 7.288 9.463 -3.118
74 H THR 10 H THR 10 7.874 7.771 0.249
75 HA THR 10 HA THR 10 5.982 8.193 2.154
76 HB THR 10 HB THR 10 8.153 9.895 0.884
77 HG1 THR 10 HG1 THR 10 7.567 8.870 3.568
78 HG21 THR 10 3HG2 THR 10 7.817 11.667 2.429
79 HG22 THR 10 1HG2 THR 10 6.157 11.324 1.888
80 HG23 THR 10 2HG2 THR 10 6.733 10.691 3.449
81 H TYR 11 H TYR 11 3.839 8.183 1.539
82 HA TYR 11 HA TYR 11 2.943 9.934 -0.545
83 HD1 TYR 11 HD1 TYR 11 3.419 8.257 -1.419
84 HD2 TYR 11 HD2 TYR 11 -0.279 6.743 0.109
85 HE1 TYR 11 HE1 TYR 11 3.272 6.629 -3.367
86 HE2 TYR 11 HE2 TYR 11 -0.414 5.121 -1.843
87 HH TYR 11 HH TYR 11 1.860 5.305 -4.500
88 HB2 TYR 11 1HB TYR 11 1.832 8.007 1.547
89 HB3 TYR 11 2HB TYR 11 0.704 9.076 0.738
90 H GLU 12 H GLU 12 1.802 11.874 -0.365
91 HA GLU 12 HA GLU 12 2.083 13.122 2.229
92 HE2 GLU 12 HE2 GLU 12 1.135 16.952 -0.369
93 HB2 GLU 12 1HB GLU 12 1.650 15.240 0.990
94 HB3 GLU 12 2HB GLU 12 3.001 14.348 0.319
95 HG2 GLU 12 1HG GLU 12 1.972 14.390 -1.699
96 HG3 GLU 12 2HG GLU 12 0.721 13.350 -1.047
97 H GLY 13 H GLY 13 -0.341 11.999 -0.121
98 HA2 GLY 13 1HA GLY 13 -2.531 11.513 0.269
99 HA3 GLY 13 2HA GLY 13 -2.410 12.194 1.879
100 H GLY 14 H GLY 14 -3.878 12.598 -1.089
101 HA2 GLY 14 1HA GLY 14 -3.780 15.506 -1.173
102 HA3 GLY 14 2HA GLY 14 -4.595 14.427 -2.288
103 H GLY 15 H GLY 15 -6.789 14.053 -2.064
104 HA2 GLY 15 1HA GLY 15 -8.056 15.209 0.345
105 HA3 GLY 15 2HA GLY 15 -8.759 15.197 -1.260
106 H GLY 16 H GLY 16 -7.803 13.153 1.528
107 HA2 GLY 16 1HA GLY 16 -8.733 10.691 0.528
108 HA3 GLY 16 2HA GLY 16 -8.485 11.122 2.208
109 H SER 17 H SER 17 -10.478 9.722 2.495
110 HA SER 17 HA SER 17 -12.901 11.026 1.626
111 HG SER 17 HG SER 17 -13.624 7.936 0.781
112 HB2 SER 17 1HB SER 17 -12.101 8.313 2.247
113 HB3 SER 17 2HB SER 17 -13.459 8.744 3.268
114 H ALA 18 H ALA 18 -14.354 12.060 3.034
115 HA ALA 18 HA ALA 18 -13.437 13.234 5.313
116 HB1 ALA 18 3HB ALA 18 -15.401 14.263 4.960
117 HB2 ALA 18 1HB ALA 18 -15.918 12.955 3.869
118 HB3 ALA 18 2HB ALA 18 -16.243 12.838 5.616
119 H ALA 19 H ALA 19 -15.569 10.291 5.113
120 HA ALA 19 HA ALA 19 -15.562 9.777 7.843
121 HB1 ALA 19 3HB ALA 19 -16.905 8.804 5.752
122 HB2 ALA 19 1HB ALA 19 -15.664 7.532 5.853
123 HB3 ALA 19 2HB ALA 19 -16.714 7.864 7.251
124 H GLU 20 H GLU 20 -13.545 8.288 5.204
125 HA GLU 20 HA GLU 20 -12.049 6.627 6.619
126 HE2 GLU 20 HE2 GLU 20 -8.894 5.292 5.326
127 HB2 GLU 20 1HB GLU 20 -11.503 8.379 4.256
128 HB3 GLU 20 2HB GLU 20 -10.100 7.647 5.008
129 HG2 GLU 20 1HG GLU 20 -12.227 5.667 4.781
130 HG3 GLU 20 2HG GLU 20 -11.956 6.417 3.220
131 H ALA 21 H ALA 21 -11.979 10.163 6.805
132 HA ALA 21 HA ALA 21 -9.534 10.704 7.830
133 HB1 ALA 21 3HB ALA 21 -12.138 11.812 8.940
134 HB2 ALA 21 1HB ALA 21 -10.560 12.629 8.838
135 HB3 ALA 21 2HB ALA 21 -11.476 12.273 7.354
136 H TYR 22 H TYR 22 -12.444 9.892 9.864
137 HA TYR 22 HA TYR 22 -10.642 9.208 12.039
138 HD1 TYR 22 HD1 TYR 22 -13.491 6.997 12.968
139 HD2 TYR 22 HD2 TYR 22 -14.962 10.390 10.817
140 HE1 TYR 22 HE1 TYR 22 -15.634 5.737 12.431
141 HE2 TYR 22 HE2 TYR 22 -17.099 9.119 10.288
142 HH TYR 22 HH TYR 22 -18.251 6.830 11.793
143 HB2 TYR 22 1HB TYR 22 -12.646 9.493 13.320
144 HB3 TYR 22 2HB TYR 22 -12.950 10.575 11.975
145 H ALA 23 H ALA 23 -13.056 7.698 9.831
146 HA ALA 23 HA ALA 23 -13.360 5.264 10.992
147 HB1 ALA 23 3HB ALA 23 -13.156 4.681 8.285
148 HB2 ALA 23 1HB ALA 23 -14.613 5.283 9.112
149 HB3 ALA 23 2HB ALA 23 -13.519 6.424 8.293
150 H LYS 24 H LYS 24 -10.633 6.395 8.900
151 HA LYS 24 HA LYS 24 -9.286 3.975 8.785
152 HB2 LYS 24 1HB LYS 24 -8.822 5.920 7.351
153 HB3 LYS 24 2HB LYS 24 -8.182 6.800 8.725
154 HG2 LYS 24 1HG LYS 24 -6.932 4.156 8.517
155 HG3 LYS 24 2HG LYS 24 -6.761 5.040 7.014
156 HD2 LYS 24 1HD LYS 24 -5.008 6.107 7.997
157 HD3 LYS 24 2HD LYS 24 -6.202 7.003 8.915
158 HE2 LYS 24 1HE LYS 24 -5.332 6.096 10.805
159 HE3 LYS 24 2HE LYS 24 -5.974 4.547 10.295
160 HZ1 LYS 24 2HZ LYS 24 -3.289 5.592 9.566
161 HZ3 LYS 24 1HZ LYS 24 -3.886 4.158 9.075
162 H ARG 25 H ARG 25 -9.147 6.650 11.209
163 HA ARG 25 HA ARG 25 -7.083 5.567 12.675
164 HE ARG 25 HE ARG 25 -7.001 8.486 15.605
165 HB2 ARG 25 1HB ARG 25 -9.367 7.464 13.307
166 HB3 ARG 25 2HB ARG 25 -8.310 6.938 14.602
167 HG2 ARG 25 1HG ARG 25 -6.325 7.758 13.331
168 HG3 ARG 25 2HG ARG 25 -7.364 8.256 12.011
169 HD2 ARG 25 1HD ARG 25 -7.020 10.254 13.266
170 HD3 ARG 25 2HD ARG 25 -8.620 9.723 13.744
171 HH11 ARG 25 2HH2 ARG 25 -7.292 11.847 14.519
172 HH12 ARG 25 1HH2 ARG 25 -6.799 12.511 16.041
173 HH21 ARG 25 1HH1 ARG 25 -6.251 11.032 17.846
174 H ILE 26 H ILE 26 -10.613 4.969 12.663
175 HA ILE 26 HA ILE 26 -10.833 3.640 15.087
176 HB ILE 26 HB ILE 26 -12.362 3.239 12.514
177 HG12 ILE 26 1HG1 ILE 26 -12.162 5.592 13.660
178 HG13 ILE 26 2HG1 ILE 26 -13.704 5.013 13.060
179 HG21 ILE 26 1HG2 ILE 26 -14.148 2.693 14.445
180 HG22 ILE 26 2HG2 ILE 26 -13.143 1.452 13.659
181 HG23 ILE 26 3HG2 ILE 26 -12.666 2.112 15.242
182 HD11 ILE 26 3HD1 ILE 26 -13.458 5.988 15.540
183 HD12 ILE 26 1HD1 ILE 26 -14.565 4.639 15.191
184 HD13 ILE 26 2HD1 ILE 26 -12.962 4.316 15.895
185 H ALA 27 H ALA 27 -10.247 2.296 11.762
186 HA ALA 27 HA ALA 27 -10.064 -0.336 12.386
187 HB1 ALA 27 3HB ALA 27 -8.104 1.025 10.519
188 HB2 ALA 27 1HB ALA 27 -8.884 -0.566 10.349
189 HB3 ALA 27 2HB ALA 27 -9.839 0.921 10.135
190 H GLU 28 H GLU 28 -7.441 2.157 12.632
191 HA GLU 28 HA GLU 28 -5.456 0.468 13.436
192 HE2 GLU 28 HE2 GLU 28 -2.014 3.182 11.230
193 HB2 GLU 28 1HB GLU 28 -6.005 3.387 14.091
194 HB3 GLU 28 2HB GLU 28 -4.534 2.583 14.603
195 HG2 GLU 28 1HG GLU 28 -4.664 1.862 11.921
196 HG3 GLU 28 2HG GLU 28 -5.354 3.473 11.889
197 H ALA 29 H ALA 29 -7.577 2.512 15.581
198 HA ALA 29 HA ALA 29 -6.715 1.627 17.995
199 HB1 ALA 29 3HB ALA 29 -8.305 3.418 17.802
200 HB2 ALA 29 1HB ALA 29 -9.501 2.356 17.022
201 HB3 ALA 29 2HB ALA 29 -9.093 2.125 18.739
202 H MET 30 H MET 30 -9.483 0.197 16.110
203 HA MET 30 HA MET 30 -10.163 -1.817 17.663
204 HB2 MET 30 1HB MET 30 -9.649 -1.855 14.641
205 HB3 MET 30 2HB MET 30 -10.525 -3.133 15.461
206 HG2 MET 30 1HG MET 30 -11.867 -0.932 16.425
207 HG3 MET 30 2HG MET 30 -11.385 -0.334 14.850
208 HE1 MET 30 3HE MET 30 -12.637 -1.634 12.362
209 HE2 MET 30 1HE MET 30 -11.112 -2.241 13.050
210 HE3 MET 30 2HE MET 30 -12.419 -3.378 12.642
211 H ALA 31 H ALA 31 -7.392 -1.982 15.313
212 HA ALA 31 HA ALA 31 -6.558 -4.510 15.674
213 HB1 ALA 31 3HB ALA 31 -4.576 -2.227 15.731
214 HB2 ALA 31 1HB ALA 31 -4.476 -3.779 14.866
215 HB3 ALA 31 2HB ALA 31 -5.592 -2.514 14.298
216 H LYS 32 H LYS 32 -5.386 -1.719 17.700
217 HA LYS 32 HA LYS 32 -3.969 -3.172 19.518
218 HB2 LYS 32 1HB LYS 32 -3.864 -0.771 19.435
219 HB3 LYS 32 2HB LYS 32 -5.558 -0.617 19.858
220 HG2 LYS 32 1HG LYS 32 -4.653 -0.316 21.967
221 HG3 LYS 32 2HG LYS 32 -4.799 -2.063 21.997
222 HD2 LYS 32 1HD LYS 32 -2.565 -2.170 22.376
223 HD3 LYS 32 2HD LYS 32 -2.316 -1.611 20.734
224 HE2 LYS 32 1HE LYS 32 -1.102 -0.100 22.185
225 HE3 LYS 32 2HE LYS 32 -2.493 0.780 21.582
226 HZ1 LYS 32 2HZ LYS 32 -2.415 1.130 23.921
227 HZ3 LYS 32 1HZ LYS 32 -2.207 -0.448 24.264
228 H GLY 33 H GLY 33 -7.402 -2.058 19.985
229 HA2 GLY 33 1HA GLY 33 -9.152 -3.169 20.904
230 HA3 GLY 33 2HA GLY 33 -8.176 -4.619 21.025
Start of MODEL 4
1 HA ARG 1 HA ARG 1 3.652 14.577 -7.548
2 HE ARG 1 HE ARG 1 -2.114 16.929 -5.977
3 H1 ARG 1 1H ARG 1 1.852 15.939 -9.317
4 HB2 ARG 1 1HB ARG 1 2.178 15.453 -5.754
5 HB3 ARG 1 2HB ARG 1 2.623 16.739 -6.858
6 HG2 ARG 1 1HG ARG 1 0.449 16.473 -8.058
7 HG3 ARG 1 2HG ARG 1 0.005 15.166 -6.978
8 HD2 ARG 1 1HD ARG 1 0.052 16.696 -5.035
9 HD3 ARG 1 2HD ARG 1 0.635 18.007 -6.041
10 HH11 ARG 1 2HH2 ARG 1 0.203 19.016 -7.660
11 HH12 ARG 1 1HH2 ARG 1 -1.022 19.922 -8.483
12 HH21 ARG 1 1HH1 ARG 1 -3.328 19.381 -8.117
13 H GLY 2 H GLY 2 2.543 13.079 -5.803
14 HA2 GLY 2 1HA GLY 2 0.133 11.787 -6.227
15 HA3 GLY 2 2HA GLY 2 1.320 10.911 -7.173
16 H LYS 3 H LYS 3 -0.243 10.504 -4.446
17 HA LYS 3 HA LYS 3 1.613 10.420 -2.390
18 HB2 LYS 3 1HB LYS 3 0.033 8.914 -1.297
19 HB3 LYS 3 2HB LYS 3 -0.796 10.262 -2.048
20 HG2 LYS 3 1HG LYS 3 -0.636 8.234 -4.052
21 HG3 LYS 3 2HG LYS 3 -1.092 7.410 -2.574
22 HD2 LYS 3 1HD LYS 3 -3.204 8.062 -3.261
23 HD3 LYS 3 2HD LYS 3 -2.780 9.494 -2.344
24 HE2 LYS 3 1HE LYS 3 -1.871 9.492 -5.194
25 HE3 LYS 3 2HE LYS 3 -3.608 9.542 -4.963
26 HZ1 LYS 3 2HZ LYS 3 -1.868 11.378 -3.437
27 HZ3 LYS 3 1HZ LYS 3 -3.447 11.554 -3.795
28 H TRP 4 H TRP 4 2.821 8.639 -1.460
29 HA TRP 4 HA TRP 4 3.403 6.514 -3.403
30 HD1 TRP 4 HD1 TRP 4 4.387 10.341 -2.488
31 HE1 TRP 4 HE1 TRP 4 5.521 11.743 -0.561
32 HE3 TRP 4 HE3 TRP 4 7.150 6.508 -0.609
33 HZ2 TRP 4 HZ2 TRP 4 7.403 11.106 1.487
34 HZ3 TRP 4 HZ3 TRP 4 8.610 6.983 1.355
35 HH2 TRP 4 HH2 TRP 4 8.763 9.188 2.399
36 HB2 TRP 4 1HB TRP 4 5.798 6.691 -2.532
37 HB3 TRP 4 2HB TRP 4 5.249 7.859 -3.718
38 H THR 5 H THR 5 4.108 4.495 -2.370
39 HA THR 5 HA THR 5 3.279 4.376 0.456
40 HB THR 5 HB THR 5 3.166 2.190 -1.686
41 HG1 THR 5 HG1 THR 5 1.143 3.949 -0.488
42 HG21 THR 5 3HG2 THR 5 1.758 1.012 -0.142
43 HG22 THR 5 1HG2 THR 5 3.103 1.597 0.865
44 HG23 THR 5 2HG2 THR 5 1.542 2.452 0.882
45 H TYR 6 H TYR 6 5.132 4.575 1.611
46 HA TYR 6 HA TYR 6 7.411 2.959 0.728
47 HD1 TYR 6 HD1 TYR 6 9.085 4.398 -0.229
48 HD2 TYR 6 HD2 TYR 6 9.435 5.000 3.993
49 HE1 TYR 6 HE1 TYR 6 11.619 4.330 -0.421
50 HE2 TYR 6 HE2 TYR 6 11.967 4.930 3.786
51 HH TYR 6 HH TYR 6 13.519 4.890 0.656
52 HB2 TYR 6 1HB TYR 6 7.214 5.587 1.433
53 HB3 TYR 6 2HB TYR 6 7.324 4.930 3.054
54 H ASN 7 H ASN 7 5.553 3.836 3.729
55 HA ASN 7 HA ASN 7 6.583 1.384 4.891
56 HB2 ASN 7 1HB ASN 7 6.606 3.804 6.022
57 HB3 ASN 7 2HB ASN 7 4.932 3.444 6.397
58 HD21 ASN 7 2HD2 ASN 7 6.538 2.301 9.384
59 HD22 ASN 7 1HD2 ASN 7 5.933 3.713 8.584
60 H GLY 8 H GLY 8 4.405 1.557 2.807
61 HA2 GLY 8 1HA GLY 8 2.459 0.496 2.400
62 HA3 GLY 8 2HA GLY 8 2.503 -0.165 4.022
63 H ILE 9 H ILE 9 2.845 3.295 3.918
64 HA ILE 9 HA ILE 9 -0.033 3.610 4.389
65 HB ILE 9 HB ILE 9 0.523 3.821 6.539
66 HG12 ILE 9 1HG1 ILE 9 1.015 6.125 7.215
67 HG13 ILE 9 2HG1 ILE 9 1.556 6.511 5.594
68 HG21 ILE 9 1HG2 ILE 9 2.679 3.007 6.625
69 HG22 ILE 9 2HG2 ILE 9 3.319 4.269 5.545
70 HG23 ILE 9 3HG2 ILE 9 2.896 4.667 7.227
71 HD11 ILE 9 3HD1 ILE 9 -1.217 6.135 6.632
72 HD12 ILE 9 1HD1 ILE 9 -0.622 7.197 5.334
73 HD13 ILE 9 2HD1 ILE 9 -0.903 5.470 5.012
74 H THR 10 H THR 10 -0.924 5.060 3.025
75 HA THR 10 HA THR 10 0.762 6.561 1.277
76 HB THR 10 HB THR 10 -2.259 6.772 1.700
77 HG1 THR 10 HG1 THR 10 -1.846 4.563 1.369
78 HG21 THR 10 3HG2 THR 10 -0.411 7.049 -0.728
79 HG22 THR 10 1HG2 THR 10 -2.188 7.022 -0.817
80 HG23 THR 10 2HG2 THR 10 -1.359 8.354 0.025
81 H TYR 11 H TYR 11 1.785 8.397 1.731
82 HA TYR 11 HA TYR 11 0.876 9.955 3.998
83 HD1 TYR 11 HD1 TYR 11 2.197 8.323 4.868
84 HD2 TYR 11 HD2 TYR 11 5.205 9.327 1.996
85 HE1 TYR 11 HE1 TYR 11 3.528 6.260 5.530
86 HE2 TYR 11 HE2 TYR 11 6.526 7.261 2.668
87 HH TYR 11 HH TYR 11 5.303 5.085 5.203
88 HB2 TYR 11 1HB TYR 11 3.138 10.496 1.995
89 HB3 TYR 11 2HB TYR 11 3.077 10.999 3.673
90 H GLU 12 H GLU 12 1.878 10.725 0.583
91 HA GLU 12 HA GLU 12 0.600 13.215 0.691
92 HE2 GLU 12 HE2 GLU 12 1.215 14.160 -3.793
93 HB2 GLU 12 1HB GLU 12 2.319 11.770 -1.107
94 HB3 GLU 12 2HB GLU 12 0.946 12.340 -2.035
95 HG2 GLU 12 1HG GLU 12 2.123 14.317 -0.118
96 HG3 GLU 12 2HG GLU 12 3.143 13.877 -1.474
97 H GLY 13 H GLY 13 -1.006 13.743 -1.331
98 HA2 GLY 13 1HA GLY 13 -2.941 13.262 -2.452
99 HA3 GLY 13 2HA GLY 13 -2.924 11.628 -1.818
100 H GLY 14 H GLY 14 -4.662 11.206 -0.537
101 HA2 GLY 14 1HA GLY 14 -6.166 11.424 1.126
102 HA3 GLY 14 2HA GLY 14 -5.233 12.765 1.762
103 H GLY 15 H GLY 15 -7.844 13.151 2.061
104 HA2 GLY 15 1HA GLY 15 -8.410 15.372 0.324
105 HA3 GLY 15 2HA GLY 15 -9.477 14.007 0.061
106 H GLY 16 H GLY 16 -10.466 13.002 2.150
107 HA2 GLY 16 1HA GLY 16 -10.700 14.788 4.408
108 HA3 GLY 16 2HA GLY 16 -12.133 14.721 3.401
109 H SER 17 H SER 17 -11.003 13.527 6.193
110 HA SER 17 HA SER 17 -11.230 10.777 5.922
111 HG SER 17 HG SER 17 -9.542 11.605 8.909
112 HB2 SER 17 1HB SER 17 -11.524 12.679 8.272
113 HB3 SER 17 2HB SER 17 -11.740 10.952 8.479
114 H ALA 18 H ALA 18 -13.176 10.692 4.460
115 HA ALA 18 HA ALA 18 -15.692 11.564 5.275
116 HB1 ALA 18 3HB ALA 18 -14.841 9.279 3.451
117 HB2 ALA 18 1HB ALA 18 -16.490 9.942 3.551
118 HB3 ALA 18 2HB ALA 18 -15.153 10.964 2.970
119 H ALA 19 H ALA 19 -13.991 8.395 5.697
120 HA ALA 19 HA ALA 19 -16.044 7.738 7.699
121 HB1 ALA 19 3HB ALA 19 -15.089 5.323 7.083
122 HB2 ALA 19 1HB ALA 19 -16.371 6.088 6.115
123 HB3 ALA 19 2HB ALA 19 -14.682 6.139 5.554
124 H GLU 20 H GLU 20 -12.849 8.726 7.156
125 HA GLU 20 HA GLU 20 -11.514 7.094 8.984
126 HE2 GLU 20 HE2 GLU 20 -7.108 7.185 9.889
127 HB2 GLU 20 1HB GLU 20 -10.944 9.434 7.338
128 HB3 GLU 20 2HB GLU 20 -10.211 9.617 8.919
129 HG2 GLU 20 1HG GLU 20 -9.860 6.885 7.889
130 HG3 GLU 20 2HG GLU 20 -9.221 8.073 6.771
131 H ALA 21 H ALA 21 -13.773 9.723 9.350
132 HA ALA 21 HA ALA 21 -12.992 10.971 11.639
133 HB1 ALA 21 3HB ALA 21 -15.243 11.636 11.834
134 HB2 ALA 21 1HB ALA 21 -15.069 11.270 10.100
135 HB3 ALA 21 2HB ALA 21 -15.853 10.095 11.184
136 H TYR 22 H TYR 22 -14.545 7.743 11.251
137 HA TYR 22 HA TYR 22 -14.389 7.368 14.145
138 HD1 TYR 22 HD1 TYR 22 -14.276 3.808 13.049
139 HD2 TYR 22 HD2 TYR 22 -16.536 6.098 10.229
140 HE1 TYR 22 HE1 TYR 22 -13.932 2.000 11.295
141 HE2 TYR 22 HE2 TYR 22 -16.184 4.283 8.484
142 HH TYR 22 HH TYR 22 -15.061 2.468 7.980
143 HB2 TYR 22 1HB TYR 22 -16.042 5.692 13.694
144 HB3 TYR 22 2HB TYR 22 -16.380 6.853 12.425
145 H ALA 23 H ALA 23 -13.159 6.076 11.017
146 HA ALA 23 HA ALA 23 -11.944 3.794 11.846
147 HB1 ALA 23 3HB ALA 23 -10.430 5.625 10.016
148 HB2 ALA 23 1HB ALA 23 -10.828 3.900 9.829
149 HB3 ALA 23 2HB ALA 23 -12.073 5.138 9.536
150 H LYS 24 H LYS 24 -10.854 7.194 12.278
151 HA LYS 24 HA LYS 24 -8.299 6.614 13.215
152 HB2 LYS 24 1HB LYS 24 -8.348 8.890 14.116
153 HB3 LYS 24 2HB LYS 24 -8.973 8.831 12.481
154 HG2 LYS 24 1HG LYS 24 -11.311 8.800 13.374
155 HG3 LYS 24 2HG LYS 24 -10.687 8.859 15.011
156 HD2 LYS 24 1HD LYS 24 -11.306 11.122 14.353
157 HD3 LYS 24 2HD LYS 24 -9.560 11.048 14.478
158 HE2 LYS 24 1HE LYS 24 -10.188 10.292 11.793
159 HE3 LYS 24 2HE LYS 24 -11.197 11.679 12.152
160 HZ1 LYS 24 2HZ LYS 24 -9.383 13.027 12.308
161 HZ3 LYS 24 1HZ LYS 24 -8.636 11.888 11.414
162 H ARG 25 H ARG 25 -11.444 7.022 14.963
163 HA ARG 25 HA ARG 25 -10.380 6.702 17.478
164 HE ARG 25 HE ARG 25 -10.371 8.967 16.930
165 HB2 ARG 25 1HB ARG 25 -13.141 6.116 16.320
166 HB3 ARG 25 2HB ARG 25 -12.806 5.910 18.028
167 HG2 ARG 25 1HG ARG 25 -12.516 8.496 16.429
168 HG3 ARG 25 2HG ARG 25 -13.749 8.150 17.625
169 HD2 ARG 25 1HD ARG 25 -12.342 9.142 19.125
170 HD3 ARG 25 2HD ARG 25 -11.422 7.652 19.064
171 HH11 ARG 25 2HH2 ARG 25 -11.043 10.105 20.217
172 HH12 ARG 25 1HH2 ARG 25 -9.765 11.273 20.207
173 HH21 ARG 25 1HH1 ARG 25 -8.391 11.494 18.256
174 H ILE 26 H ILE 26 -11.304 4.360 14.953
175 HA ILE 26 HA ILE 26 -11.479 2.081 16.552
176 HB ILE 26 HB ILE 26 -10.663 2.376 13.659
177 HG12 ILE 26 1HG1 ILE 26 -12.917 3.354 14.493
178 HG13 ILE 26 2HG1 ILE 26 -12.893 2.347 13.059
179 HG21 ILE 26 1HG2 ILE 26 -11.974 -0.043 13.964
180 HG22 ILE 26 2HG2 ILE 26 -10.220 0.195 13.769
181 HG23 ILE 26 3HG2 ILE 26 -10.923 0.047 15.397
182 HD11 ILE 26 3HD1 ILE 26 -13.966 0.575 14.101
183 HD12 ILE 26 1HD1 ILE 26 -13.263 0.948 15.693
184 HD13 ILE 26 2HD1 ILE 26 -14.625 1.913 15.074
185 H ALA 27 H ALA 27 -8.694 3.315 14.564
186 HA ALA 27 HA ALA 27 -6.844 1.457 15.296
187 HB1 ALA 27 3HB ALA 27 -5.265 2.965 14.451
188 HB2 ALA 27 1HB ALA 27 -6.771 3.523 13.683
189 HB3 ALA 27 2HB ALA 27 -6.122 4.383 15.100
190 H GLU 28 H GLU 28 -7.728 4.514 17.033
191 HA GLU 28 HA GLU 28 -5.878 4.331 19.021
192 HE2 GLU 28 HE2 GLU 28 -7.474 9.505 18.921
193 HB2 GLU 28 1HB GLU 28 -8.711 5.437 19.008
194 HB3 GLU 28 2HB GLU 28 -7.655 5.616 20.395
195 HG2 GLU 28 1HG GLU 28 -6.004 6.407 18.289
196 HG3 GLU 28 2HG GLU 28 -7.572 6.997 17.773
197 H ALA 29 H ALA 29 -9.330 3.174 19.160
198 HA ALA 29 HA ALA 29 -9.382 2.035 21.583
199 HB1 ALA 29 3HB ALA 29 -10.480 0.950 18.959
200 HB2 ALA 29 1HB ALA 29 -10.983 0.386 20.571
201 HB3 ALA 29 2HB ALA 29 -11.291 2.069 20.081
202 H MET 30 H MET 30 -8.405 0.201 18.592
203 HA MET 30 HA MET 30 -7.628 -2.077 19.701
204 HB2 MET 30 1HB MET 30 -6.166 -0.448 17.549
205 HB3 MET 30 2HB MET 30 -5.870 -2.152 17.833
206 HG2 MET 30 1HG MET 30 -8.712 -1.858 17.606
207 HG3 MET 30 2HG MET 30 -8.014 -0.911 16.308
208 HE1 MET 30 3HE MET 30 -7.397 -2.886 13.739
209 HE2 MET 30 1HE MET 30 -6.866 -1.443 14.635
210 HE3 MET 30 2HE MET 30 -5.773 -2.837 14.467
211 H ALA 31 H ALA 31 -5.363 0.738 19.227
212 HA ALA 31 HA ALA 31 -3.415 1.217 20.181
213 HB1 ALA 31 3HB ALA 31 -3.496 0.892 22.775
214 HB2 ALA 31 1HB ALA 31 -4.660 1.999 22.008
215 HB3 ALA 31 2HB ALA 31 -5.171 0.363 22.487
216 H LYS 32 H LYS 32 -3.701 -1.478 18.981
217 HA LYS 32 HA LYS 32 -2.153 -3.168 20.752
218 HB2 LYS 32 1HB LYS 32 -2.564 -4.905 19.166
219 HB3 LYS 32 2HB LYS 32 -4.069 -4.044 19.415
220 HG2 LYS 32 1HG LYS 32 -4.035 -3.066 17.289
221 HG3 LYS 32 2HG LYS 32 -2.286 -3.087 17.185
222 HD2 LYS 32 1HD LYS 32 -2.584 -5.724 17.172
223 HD3 LYS 32 2HD LYS 32 -4.234 -5.359 16.708
224 HE2 LYS 32 1HE LYS 32 -3.480 -5.198 14.568
225 HE3 LYS 32 2HE LYS 32 -2.731 -3.683 15.036
226 HZ1 LYS 32 2HZ LYS 32 -1.336 -5.758 14.115
227 HZ3 LYS 32 1HZ LYS 32 -1.217 -6.077 15.707
228 H GLY 33 H GLY 33 -0.044 -3.997 20.216
229 HA2 GLY 33 1HA GLY 33 1.390 -2.385 18.195
230 HA3 GLY 33 2HA GLY 33 2.023 -2.619 19.813
Start of MODEL 5
1 HA ARG 1 HA ARG 1 -1.755 3.506 -5.405
2 HE ARG 1 HE ARG 1 0.533 -1.574 -3.963
3 H1 ARG 1 1H ARG 1 -0.592 1.693 -7.321
4 HB2 ARG 1 1HB ARG 1 -2.463 1.369 -4.244
5 HB3 ARG 1 2HB ARG 1 -3.060 1.498 -5.887
6 HG2 ARG 1 1HG ARG 1 -2.002 -0.421 -6.463
7 HG3 ARG 1 2HG ARG 1 -0.456 0.252 -5.987
8 HD2 ARG 1 1HD ARG 1 -1.381 -0.296 -3.512
9 HD3 ARG 1 2HD ARG 1 -2.354 -1.462 -4.387
10 HH11 ARG 1 2HH2 ARG 1 -2.088 -2.631 -6.100
11 HH12 ARG 1 1HH2 ARG 1 -1.213 -4.000 -6.700
12 HH21 ARG 1 1HH1 ARG 1 1.004 -4.422 -5.895
13 H GLY 2 H GLY 2 -0.532 4.268 -3.707
14 HA2 GLY 2 1HA GLY 2 0.892 2.994 -1.871
15 HA3 GLY 2 2HA GLY 2 2.055 3.029 -3.182
16 H LYS 3 H LYS 3 -0.025 5.084 -1.081
17 HA LYS 3 HA LYS 3 0.843 7.556 -1.950
18 HB2 LYS 3 1HB LYS 3 0.031 8.384 0.187
19 HB3 LYS 3 2HB LYS 3 -1.079 7.202 -0.477
20 HG2 LYS 3 1HG LYS 3 0.327 5.472 0.972
21 HG3 LYS 3 2HG LYS 3 0.833 6.899 1.854
22 HD2 LYS 3 1HD LYS 3 -1.117 6.874 3.005
23 HD3 LYS 3 2HD LYS 3 -1.998 7.137 1.513
24 HE2 LYS 3 1HE LYS 3 -2.783 5.075 2.651
25 HE3 LYS 3 2HE LYS 3 -2.084 4.698 1.089
26 HZ1 LYS 3 2HZ LYS 3 -0.117 4.660 3.175
27 HZ3 LYS 3 1HZ LYS 3 -0.467 3.504 2.082
28 H TRP 4 H TRP 4 2.583 8.904 -1.471
29 HA TRP 4 HA TRP 4 4.752 7.582 0.012
30 HD1 TRP 4 HD1 TRP 4 2.979 8.411 -3.495
31 HE1 TRP 4 HE1 TRP 4 2.527 10.401 -5.169
32 HE3 TRP 4 HE3 TRP 4 6.944 11.237 -2.030
33 HZ2 TRP 4 HZ2 TRP 4 3.850 12.878 -5.680
34 HZ3 TRP 4 HZ3 TRP 4 7.293 13.427 -3.167
35 HH2 TRP 4 HH2 TRP 4 5.824 14.259 -4.934
36 HB2 TRP 4 1HB TRP 4 6.227 9.100 -1.407
37 HB3 TRP 4 2HB TRP 4 5.520 7.687 -2.166
38 H THR 5 H THR 5 6.420 9.703 0.487
39 HA THR 5 HA THR 5 4.837 11.910 1.521
40 HB THR 5 HB THR 5 6.597 10.180 3.335
41 HG1 THR 5 HG1 THR 5 4.723 8.977 3.104
42 HG21 THR 5 3HG2 THR 5 4.476 12.291 3.984
43 HG22 THR 5 1HG2 THR 5 5.520 11.435 5.145
44 HG23 THR 5 2HG2 THR 5 6.226 12.614 4.014
45 H TYR 6 H TYR 6 5.812 13.529 0.446
46 HA TYR 6 HA TYR 6 8.706 13.439 0.160
47 HD1 TYR 6 HD1 TYR 6 9.445 13.176 -1.691
48 HD2 TYR 6 HD2 TYR 6 7.758 17.041 -2.416
49 HE1 TYR 6 HE1 TYR 6 11.324 13.699 -3.322
50 HE2 TYR 6 HE2 TYR 6 9.643 17.550 -4.044
51 HH TYR 6 HH TYR 6 11.756 15.114 -5.173
52 HB2 TYR 6 1HB TYR 6 6.620 14.147 -1.482
53 HB3 TYR 6 2HB TYR 6 6.865 15.700 -0.708
54 H ASN 7 H ASN 7 6.245 15.949 1.113
55 HA ASN 7 HA ASN 7 8.251 17.425 2.446
56 HB2 ASN 7 1HB ASN 7 5.543 17.830 1.557
57 HB3 ASN 7 2HB ASN 7 5.554 18.155 3.280
58 HD21 ASN 7 2HD2 ASN 7 6.328 21.290 1.432
59 HD22 ASN 7 1HD2 ASN 7 5.044 20.129 1.467
60 H GLY 8 H GLY 8 5.029 16.278 3.702
61 HA2 GLY 8 1HA GLY 8 6.054 14.636 5.752
62 HA3 GLY 8 2HA GLY 8 5.773 16.242 6.394
63 H ILE 9 H ILE 9 3.904 14.753 3.707
64 HA ILE 9 HA ILE 9 1.749 14.019 5.452
65 HB ILE 9 HB ILE 9 0.112 15.528 4.394
66 HG12 ILE 9 1HG1 ILE 9 1.541 17.695 3.491
67 HG13 ILE 9 2HG1 ILE 9 2.489 16.362 2.862
68 HG21 ILE 9 1HG2 ILE 9 1.175 15.968 6.619
69 HG22 ILE 9 2HG2 ILE 9 2.316 17.058 5.795
70 HG23 ILE 9 3HG2 ILE 9 0.572 17.417 5.780
71 HD11 ILE 9 3HD1 ILE 9 -0.449 16.966 2.372
72 HD12 ILE 9 1HD1 ILE 9 0.858 16.783 1.178
73 HD13 ILE 9 2HD1 ILE 9 0.237 15.357 2.043
74 H THR 10 H THR 10 0.367 12.522 4.467
75 HA THR 10 HA THR 10 1.410 11.382 2.039
76 HB THR 10 HB THR 10 -1.125 10.532 3.484
77 HG1 THR 10 HG1 THR 10 0.226 9.818 5.172
78 HG21 THR 10 3HG2 THR 10 0.992 9.303 1.767
79 HG22 THR 10 1HG2 THR 10 0.535 8.346 3.196
80 HG23 THR 10 2HG2 THR 10 -0.701 8.806 2.001
81 H TYR 11 H TYR 11 0.638 11.500 -0.004
82 HA TYR 11 HA TYR 11 -1.551 13.395 -0.395
83 HD1 TYR 11 HD1 TYR 11 2.457 12.725 -3.008
84 HD2 TYR 11 HD2 TYR 11 0.332 14.563 0.218
85 HE1 TYR 11 HE1 TYR 11 4.605 13.829 -2.213
86 HE2 TYR 11 HE2 TYR 11 2.486 15.661 1.002
87 HH TYR 11 HH TYR 11 4.587 16.307 0.154
88 HB2 TYR 11 1HB TYR 11 0.227 12.017 -2.475
89 HB3 TYR 11 2HB TYR 11 -0.531 13.591 -2.605
90 H GLU 12 H GLU 12 -0.405 10.295 -1.925
91 HA GLU 12 HA GLU 12 -2.945 9.798 -2.996
92 HE2 GLU 12 HE2 GLU 12 -1.363 5.617 -6.333
93 HB2 GLU 12 1HB GLU 12 -0.301 8.671 -3.146
94 HB3 GLU 12 2HB GLU 12 -1.413 7.365 -2.786
95 HG2 GLU 12 1HG GLU 12 -2.891 8.218 -4.697
96 HG3 GLU 12 2HG GLU 12 -1.604 9.333 -5.112
97 H GLY 13 H GLY 13 -4.069 7.543 -2.540
98 HA2 GLY 13 1HA GLY 13 -4.401 5.875 -0.789
99 HA3 GLY 13 2HA GLY 13 -4.175 7.150 0.392
100 H GLY 14 H GLY 14 -6.396 6.179 1.052
101 HA2 GLY 14 1HA GLY 14 -8.476 7.830 -0.215
102 HA3 GLY 14 2HA GLY 14 -8.734 6.105 -0.038
103 H GLY 15 H GLY 15 -10.586 7.565 1.221
104 HA2 GLY 15 1HA GLY 15 -11.498 7.258 3.357
105 HA3 GLY 15 2HA GLY 15 -9.890 7.226 4.054
106 H GLY 16 H GLY 16 -9.794 8.935 5.467
107 HA2 GLY 16 1HA GLY 16 -10.866 11.527 4.557
108 HA3 GLY 16 2HA GLY 16 -10.611 11.032 6.219
109 H SER 17 H SER 17 -9.243 12.776 6.794
110 HA SER 17 HA SER 17 -6.934 13.252 5.172
111 HG SER 17 HG SER 17 -5.717 15.146 5.962
112 HB2 SER 17 1HB SER 17 -8.476 14.863 6.771
113 HB3 SER 17 2HB SER 17 -7.150 14.521 7.865
114 H ALA 18 H ALA 18 -4.743 13.550 6.521
115 HA ALA 18 HA ALA 18 -3.743 11.158 7.184
116 HB1 ALA 18 3HB ALA 18 -2.530 13.356 6.941
117 HB2 ALA 18 1HB ALA 18 -3.029 13.754 8.603
118 HB3 ALA 18 2HB ALA 18 -1.965 12.359 8.303
119 H ALA 19 H ALA 19 -5.875 13.196 9.159
120 HA ALA 19 HA ALA 19 -5.396 12.139 11.657
121 HB1 ALA 19 3HB ALA 19 -7.858 13.250 10.282
122 HB2 ALA 19 1HB ALA 19 -7.890 12.734 11.985
123 HB3 ALA 19 2HB ALA 19 -6.795 14.040 11.471
124 H GLU 20 H GLU 20 -7.710 11.007 9.097
125 HA GLU 20 HA GLU 20 -8.914 9.007 10.342
126 HE2 GLU 20 HE2 GLU 20 -8.522 6.275 5.615
127 HB2 GLU 20 1HB GLU 20 -9.123 7.889 8.168
128 HB3 GLU 20 2HB GLU 20 -9.253 9.624 7.959
129 HG2 GLU 20 1HG GLU 20 -7.502 9.607 6.523
130 HG3 GLU 20 2HG GLU 20 -6.461 8.951 7.771
131 H ALA 21 H ALA 21 -5.482 9.161 9.491
132 HA ALA 21 HA ALA 21 -4.659 6.615 9.387
133 HB1 ALA 21 3HB ALA 21 -2.590 7.423 10.545
134 HB2 ALA 21 1HB ALA 21 -3.156 8.528 9.269
135 HB3 ALA 21 2HB ALA 21 -3.458 8.915 10.980
136 H TYR 22 H TYR 22 -5.056 8.434 12.517
137 HA TYR 22 HA TYR 22 -4.847 6.030 14.030
138 HD1 TYR 22 HD1 TYR 22 -5.539 10.598 13.992
139 HD2 TYR 22 HD2 TYR 22 -7.545 7.509 16.169
140 HE1 TYR 22 HE1 TYR 22 -7.539 12.129 14.335
141 HE2 TYR 22 HE2 TYR 22 -9.538 9.051 16.505
142 HH TYR 22 HH TYR 22 -10.166 11.216 16.450
143 HB2 TYR 22 1HB TYR 22 -4.941 7.615 15.819
144 HB3 TYR 22 2HB TYR 22 -4.380 8.634 14.508
145 H ALA 23 H ALA 23 -7.540 8.198 12.979
146 HA ALA 23 HA ALA 23 -9.609 7.303 14.419
147 HB1 ALA 23 3HB ALA 23 -10.983 8.076 12.673
148 HB2 ALA 23 1HB ALA 23 -9.458 8.958 12.414
149 HB3 ALA 23 2HB ALA 23 -9.847 7.538 11.413
150 H LYS 24 H LYS 24 -7.756 5.482 12.003
151 HA LYS 24 HA LYS 24 -9.664 3.421 11.670
152 HB2 LYS 24 1HB LYS 24 -6.996 4.090 10.727
153 HB3 LYS 24 2HB LYS 24 -7.116 2.385 11.114
154 HG2 LYS 24 1HG LYS 24 -9.474 2.652 9.807
155 HG3 LYS 24 2HG LYS 24 -8.615 3.977 9.046
156 HD2 LYS 24 1HD LYS 24 -6.887 2.526 8.209
157 HD3 LYS 24 2HD LYS 24 -7.363 1.212 9.267
158 HE2 LYS 24 1HE LYS 24 -9.085 0.535 7.888
159 HE3 LYS 24 2HE LYS 24 -9.522 2.175 7.448
160 HZ1 LYS 24 2HZ LYS 24 -7.464 0.460 6.242
161 HZ3 LYS 24 1HZ LYS 24 -7.248 2.073 6.178
162 H ARG 25 H ARG 25 -6.596 3.656 13.605
163 HA ARG 25 HA ARG 25 -6.773 1.218 14.770
164 HE ARG 25 HE ARG 25 -4.084 2.662 17.868
165 HB2 ARG 25 1HB ARG 25 -5.111 1.991 16.257
166 HB3 ARG 25 2HB ARG 25 -4.954 3.124 14.930
167 HG2 ARG 25 1HG ARG 25 -5.114 4.682 16.618
168 HG3 ARG 25 2HG ARG 25 -6.834 4.452 16.370
169 HD2 ARG 25 1HD ARG 25 -6.290 4.283 18.776
170 HD3 ARG 25 2HD ARG 25 -6.889 2.746 18.186
171 HH11 ARG 25 2HH2 ARG 25 -6.383 2.945 20.549
172 HH12 ARG 25 1HH2 ARG 25 -5.330 2.187 21.696
173 HH21 ARG 25 1HH1 ARG 25 -3.166 1.440 20.987
174 H ILE 26 H ILE 26 -8.643 4.157 15.384
175 HA ILE 26 HA ILE 26 -9.505 3.537 17.986
176 HB ILE 26 HB ILE 26 -10.818 5.215 15.845
177 HG12 ILE 26 1HG1 ILE 26 -8.377 5.721 16.529
178 HG13 ILE 26 2HG1 ILE 26 -9.543 7.030 16.514
179 HG21 ILE 26 1HG2 ILE 26 -11.442 6.330 18.274
180 HG22 ILE 26 2HG2 ILE 26 -12.509 5.286 17.305
181 HG23 ILE 26 3HG2 ILE 26 -11.534 4.586 18.620
182 HD11 ILE 26 3HD1 ILE 26 -9.107 5.443 19.058
183 HD12 ILE 26 1HD1 ILE 26 -7.977 6.742 18.605
184 HD13 ILE 26 2HD1 ILE 26 -9.699 7.110 18.867
185 H ALA 27 H ALA 27 -11.269 3.250 14.815
186 HA ALA 27 HA ALA 27 -13.469 1.945 15.671
187 HB1 ALA 27 3HB ALA 27 -12.105 0.969 13.175
188 HB2 ALA 27 1HB ALA 27 -13.806 1.423 13.437
189 HB3 ALA 27 2HB ALA 27 -12.561 2.686 13.286
190 H GLU 28 H GLU 28 -10.265 0.459 14.852
191 HA GLU 28 HA GLU 28 -10.957 -2.139 15.195
192 HE2 GLU 28 HE2 GLU 28 -8.703 -4.222 13.995
193 HB2 GLU 28 1HB GLU 28 -8.361 -0.672 15.797
194 HB3 GLU 28 2HB GLU 28 -8.488 -2.417 15.910
195 HG2 GLU 28 1HG GLU 28 -9.654 -1.905 13.429
196 HG3 GLU 28 2HG GLU 28 -8.396 -0.687 13.503
197 H ALA 29 H ALA 29 -9.491 0.031 17.729
198 HA ALA 29 HA ALA 29 -9.510 -1.609 19.852
199 HB1 ALA 29 3HB ALA 29 -10.500 0.825 20.855
200 HB2 ALA 29 1HB ALA 29 -8.791 0.373 20.640
201 HB3 ALA 29 2HB ALA 29 -9.645 1.262 19.356
202 H MET 30 H MET 30 -12.333 0.489 18.910
203 HA MET 30 HA MET 30 -14.086 -0.364 20.750
204 HB2 MET 30 1HB MET 30 -14.524 0.244 17.775
205 HB3 MET 30 2HB MET 30 -15.843 0.120 18.922
206 HG2 MET 30 1HG MET 30 -13.941 1.878 20.125
207 HG3 MET 30 2HG MET 30 -14.039 2.365 18.444
208 HE1 MET 30 3HE MET 30 -14.840 4.572 19.142
209 HE2 MET 30 1HE MET 30 -15.877 4.159 17.756
210 HE3 MET 30 2HE MET 30 -16.582 4.931 19.196
211 H ALA 31 H ALA 31 -13.613 -1.858 17.465
212 HA ALA 31 HA ALA 31 -15.389 -3.996 18.024
213 HB1 ALA 31 3HB ALA 31 -13.508 -3.164 15.853
214 HB2 ALA 31 1HB ALA 31 -13.955 -4.885 15.926
215 HB3 ALA 31 2HB ALA 31 -15.219 -3.644 15.761
216 H LYS 32 H LYS 32 -15.004 -5.572 19.494
217 HA LYS 32 HA LYS 32 -12.603 -6.021 20.732
218 HB2 LYS 32 1HB LYS 32 -13.599 -8.053 21.575
219 HB3 LYS 32 2HB LYS 32 -14.803 -6.780 21.543
220 HG2 LYS 32 1HG LYS 32 -16.012 -7.761 19.808
221 HG3 LYS 32 2HG LYS 32 -14.596 -8.500 19.087
222 HD2 LYS 32 1HD LYS 32 -14.865 -9.685 21.672
223 HD3 LYS 32 2HD LYS 32 -16.481 -9.639 20.996
224 HE2 LYS 32 1HE LYS 32 -14.288 -10.540 19.151
225 HE3 LYS 32 2HE LYS 32 -14.706 -11.633 20.456
226 HZ1 LYS 32 2HZ LYS 32 -16.092 -11.340 18.101
227 HZ3 LYS 32 1HZ LYS 32 -17.050 -10.602 19.191
228 H GLY 33 H GLY 33 -11.382 -8.247 20.650
229 HA2 GLY 33 1HA GLY 33 -10.869 -8.901 17.810
230 HA3 GLY 33 2HA GLY 33 -9.585 -8.639 18.974
Start of MODEL 6
1 HA ARG 1 HA ARG 1 0.133 18.795 0.017
2 HE ARG 1 HE ARG 1 -3.478 22.291 2.934
3 H1 ARG 1 1H ARG 1 -2.311 19.831 -0.594
4 HB2 ARG 1 1HB ARG 1 -0.297 19.817 2.328
5 HB3 ARG 1 2HB ARG 1 -0.549 20.905 0.978
6 HG2 ARG 1 1HG ARG 1 -2.936 19.310 1.843
7 HG3 ARG 1 2HG ARG 1 -2.381 20.533 2.969
8 HD2 ARG 1 1HD ARG 1 -2.349 21.700 0.327
9 HD3 ARG 1 2HD ARG 1 -3.894 20.900 0.536
10 HH11 ARG 1 2HH2 ARG 1 -3.713 23.161 -0.493
11 HH12 ARG 1 1HH2 ARG 1 -4.337 24.745 -0.175
12 HH21 ARG 1 1HH1 ARG 1 -4.675 25.441 2.093
13 H GLY 2 H GLY 2 0.874 17.047 1.265
14 HA2 GLY 2 1HA GLY 2 -0.187 15.729 3.320
15 HA3 GLY 2 2HA GLY 2 -1.120 15.058 1.997
16 H LYS 3 H LYS 3 0.173 14.197 0.057
17 HA LYS 3 HA LYS 3 2.137 12.414 1.052
18 HB2 LYS 3 1HB LYS 3 1.672 12.871 -1.877
19 HB3 LYS 3 2HB LYS 3 1.999 11.379 -1.018
20 HG2 LYS 3 1HG LYS 3 -0.256 11.034 -1.193
21 HG3 LYS 3 2HG LYS 3 -0.363 12.119 0.179
22 HD2 LYS 3 1HD LYS 3 -0.189 13.860 -2.025
23 HD3 LYS 3 2HD LYS 3 -1.195 12.553 -2.615
24 HE2 LYS 3 1HE LYS 3 -1.877 13.446 0.140
25 HE3 LYS 3 2HE LYS 3 -2.097 14.683 -1.082
26 HZ1 LYS 3 2HZ LYS 3 -4.033 13.629 -1.497
27 HZ3 LYS 3 1HZ LYS 3 -3.619 12.283 -0.678
28 H TRP 4 H TRP 4 4.386 12.268 0.454
29 HA TRP 4 HA TRP 4 5.486 14.824 -0.493
30 HD1 TRP 4 HD1 TRP 4 4.429 12.587 2.851
31 HE1 TRP 4 HE1 TRP 4 5.310 10.479 4.172
32 HE3 TRP 4 HE3 TRP 4 9.265 13.004 1.336
33 HZ2 TRP 4 HZ2 TRP 4 7.873 9.250 4.429
34 HZ3 TRP 4 HZ3 TRP 4 10.893 11.310 2.168
35 HH2 TRP 4 HH2 TRP 4 10.265 9.481 3.663
36 HB2 TRP 4 1HB TRP 4 7.390 14.421 1.072
37 HB3 TRP 4 2HB TRP 4 5.872 14.867 1.825
38 H THR 5 H THR 5 7.404 14.602 -1.803
39 HA THR 5 HA THR 5 7.857 11.837 -2.719
40 HB THR 5 HB THR 5 8.537 13.223 -4.886
41 HG1 THR 5 HG1 THR 5 6.579 14.916 -3.521
42 HG21 THR 5 3HG2 THR 5 6.303 13.068 -5.751
43 HG22 THR 5 1HG2 THR 5 6.386 11.774 -4.531
44 HG23 THR 5 2HG2 THR 5 5.581 13.314 -4.142
45 H TYR 6 H TYR 6 9.645 11.137 -1.686
46 HA TYR 6 HA TYR 6 11.835 13.017 -1.317
47 HD1 TYR 6 HD1 TYR 6 13.710 9.551 0.617
48 HD2 TYR 6 HD2 TYR 6 12.017 13.467 0.946
49 HE1 TYR 6 HE1 TYR 6 15.551 10.219 2.239
50 HE2 TYR 6 HE2 TYR 6 13.863 14.121 2.566
51 HH TYR 6 HH TYR 6 15.383 12.656 4.248
52 HB2 TYR 6 1HB TYR 6 10.696 11.076 0.243
53 HB3 TYR 6 2HB TYR 6 11.824 10.051 -0.623
54 H ASN 7 H ASN 7 11.040 9.922 -2.995
55 HA ASN 7 HA ASN 7 13.661 10.039 -4.226
56 HB2 ASN 7 1HB ASN 7 11.827 7.906 -3.437
57 HB3 ASN 7 2HB ASN 7 12.176 7.760 -5.148
58 HD21 ASN 7 2HD2 ASN 7 14.846 6.636 -2.350
59 HD22 ASN 7 1HD2 ASN 7 13.199 7.081 -2.052
60 H GLY 8 H GLY 8 10.440 8.802 -5.379
61 HA2 GLY 8 1HA GLY 8 10.078 10.861 -7.324
62 HA3 GLY 8 2HA GLY 8 10.741 9.407 -8.044
63 H ILE 9 H ILE 9 8.674 9.262 -5.143
64 HA ILE 9 HA ILE 9 6.278 8.809 -6.635
65 HB ILE 9 HB ILE 9 5.991 6.472 -5.836
66 HG12 ILE 9 1HG1 ILE 9 8.544 5.480 -5.595
67 HG13 ILE 9 2HG1 ILE 9 8.666 6.992 -4.718
68 HG21 ILE 9 1HG2 ILE 9 7.040 5.505 -7.703
69 HG22 ILE 9 2HG2 ILE 9 6.727 7.194 -8.170
70 HG23 ILE 9 3HG2 ILE 9 8.365 6.694 -7.686
71 HD11 ILE 9 3HD1 ILE 9 7.921 5.493 -3.058
72 HD12 ILE 9 1HD1 ILE 9 6.405 6.260 -3.588
73 HD13 ILE 9 2HD1 ILE 9 6.837 4.639 -4.181
74 H THR 10 H THR 10 4.422 8.842 -5.275
75 HA THR 10 HA THR 10 4.953 10.062 -2.714
76 HB THR 10 HB THR 10 2.762 9.847 -4.699
77 HG1 THR 10 HG1 THR 10 3.647 11.880 -4.223
78 HG21 THR 10 3HG2 THR 10 2.240 9.527 -1.726
79 HG22 THR 10 1HG2 THR 10 1.157 10.556 -2.693
80 HG23 THR 10 2HG2 THR 10 1.343 8.833 -3.098
81 H TYR 11 H TYR 11 4.874 9.160 -0.739
82 HA TYR 11 HA TYR 11 4.327 6.298 -0.667
83 HD1 TYR 11 HD1 TYR 11 7.578 8.799 1.890
84 HD2 TYR 11 HD2 TYR 11 6.326 6.770 -1.662
85 HE1 TYR 11 HE1 TYR 11 9.784 9.385 0.770
86 HE2 TYR 11 HE2 TYR 11 8.535 7.363 -2.771
87 HH TYR 11 HH TYR 11 11.046 7.932 -1.589
88 HB2 TYR 11 1HB TYR 11 5.252 8.170 1.577
89 HB3 TYR 11 2HB TYR 11 5.619 6.465 1.402
90 H GLU 12 H GLU 12 3.633 9.164 1.470
91 HA GLU 12 HA GLU 12 1.368 7.750 2.503
92 HE2 GLU 12 HE2 GLU 12 1.381 13.440 4.383
93 HB2 GLU 12 1HB GLU 12 1.271 9.451 4.165
94 HB3 GLU 12 2HB GLU 12 2.981 9.210 3.869
95 HG2 GLU 12 1HG GLU 12 3.021 11.174 2.347
96 HG3 GLU 12 2HG GLU 12 1.295 11.394 2.555
97 H GLY 13 H GLY 13 -0.794 9.015 2.726
98 HA2 GLY 13 1HA GLY 13 -1.761 11.081 1.435
99 HA3 GLY 13 2HA GLY 13 -1.474 10.028 0.065
100 H GLY 14 H GLY 14 -3.979 10.436 0.030
101 HA2 GLY 14 1HA GLY 14 -5.510 8.909 1.942
102 HA3 GLY 14 2HA GLY 14 -6.101 9.789 0.546
103 H GLY 15 H GLY 15 -6.761 7.020 1.470
104 HA2 GLY 15 1HA GLY 15 -6.618 5.732 -1.076
105 HA3 GLY 15 2HA GLY 15 -5.527 4.997 0.081
106 H GLY 16 H GLY 16 -6.519 4.474 2.325
107 HA2 GLY 16 1HA GLY 16 -8.453 2.604 2.186
108 HA3 GLY 16 2HA GLY 16 -8.150 3.577 3.612
109 H SER 17 H SER 17 -10.739 2.538 2.865
110 HA SER 17 HA SER 17 -12.249 4.400 1.481
111 HG SER 17 HG SER 17 -13.633 1.125 1.790
112 HB2 SER 17 1HB SER 17 -12.944 2.293 3.558
113 HB3 SER 17 2HB SER 17 -14.183 3.295 2.828
114 H ALA 18 H ALA 18 -13.861 5.961 2.332
115 HA ALA 18 HA ALA 18 -12.779 7.666 4.248
116 HB1 ALA 18 3HB ALA 18 -15.113 8.701 4.125
117 HB2 ALA 18 1HB ALA 18 -14.256 8.523 2.575
118 HB3 ALA 18 2HB ALA 18 -15.541 7.374 3.019
119 H ALA 19 H ALA 19 -14.922 4.846 4.484
120 HA ALA 19 HA ALA 19 -16.071 5.350 6.953
121 HB1 ALA 19 3HB ALA 19 -17.039 3.465 6.184
122 HB2 ALA 19 1HB ALA 19 -15.656 3.102 5.123
123 HB3 ALA 19 2HB ALA 19 -15.629 2.591 6.828
124 H GLU 20 H GLU 20 -12.761 4.614 6.050
125 HA GLU 20 HA GLU 20 -11.785 3.307 8.170
126 HE2 GLU 20 HE2 GLU 20 -9.444 7.607 4.870
127 HB2 GLU 20 1HB GLU 20 -9.644 4.270 7.644
128 HB3 GLU 20 2HB GLU 20 -10.526 4.153 6.135
129 HG2 GLU 20 1HG GLU 20 -11.112 6.529 6.211
130 HG3 GLU 20 2HG GLU 20 -10.468 6.689 7.833
131 H ALA 21 H ALA 21 -13.094 6.582 8.096
132 HA ALA 21 HA ALA 21 -11.883 7.760 10.241
133 HB1 ALA 21 3HB ALA 21 -13.599 8.719 8.640
134 HB2 ALA 21 1HB ALA 21 -14.852 7.892 9.596
135 HB3 ALA 21 2HB ALA 21 -13.846 9.152 10.349
136 H TYR 22 H TYR 22 -15.122 6.127 10.474
137 HA TYR 22 HA TYR 22 -14.918 5.864 13.273
138 HD1 TYR 22 HD1 TYR 22 -16.331 2.425 12.875
139 HD2 TYR 22 HD2 TYR 22 -17.180 4.765 9.396
140 HE1 TYR 22 HE1 TYR 22 -16.698 0.301 11.527
141 HE2 TYR 22 HE2 TYR 22 -17.544 2.633 8.059
142 HH TYR 22 HH TYR 22 -17.363 -0.537 9.639
143 HB2 TYR 22 1HB TYR 22 -17.093 4.936 12.942
144 HB3 TYR 22 2HB TYR 22 -16.906 5.843 11.454
145 H ALA 23 H ALA 23 -14.338 3.611 10.509
146 HA ALA 23 HA ALA 23 -14.101 1.248 11.788
147 HB1 ALA 23 3HB ALA 23 -11.926 1.894 9.856
148 HB2 ALA 23 1HB ALA 23 -13.103 0.559 9.851
149 HB3 ALA 23 2HB ALA 23 -13.589 2.177 9.290
150 H LYS 24 H LYS 24 -11.685 3.927 11.680
151 HA LYS 24 HA LYS 24 -9.652 2.541 13.001
152 HB2 LYS 24 1HB LYS 24 -9.599 4.758 11.674
153 HB3 LYS 24 2HB LYS 24 -10.087 5.523 13.173
154 HG2 LYS 24 1HG LYS 24 -7.735 5.628 13.297
155 HG3 LYS 24 2HG LYS 24 -8.097 4.210 14.260
156 HD2 LYS 24 1HD LYS 24 -6.941 2.862 12.845
157 HD3 LYS 24 2HD LYS 24 -7.847 3.441 11.461
158 HE2 LYS 24 1HE LYS 24 -5.899 4.406 10.775
159 HE3 LYS 24 2HE LYS 24 -6.194 5.614 12.011
160 HZ1 LYS 24 2HZ LYS 24 -4.976 4.056 13.573
161 HZ3 LYS 24 1HZ LYS 24 -4.042 4.731 12.423
162 H ARG 25 H ARG 25 -12.376 4.584 14.201
163 HA ARG 25 HA ARG 25 -11.602 4.606 16.828
164 HE ARG 25 HE ARG 25 -14.524 7.541 17.963
165 HB2 ARG 25 1HB ARG 25 -14.391 4.640 15.574
166 HB3 ARG 25 2HB ARG 25 -14.107 4.965 17.273
167 HG2 ARG 25 1HG ARG 25 -12.704 6.518 15.053
168 HG3 ARG 25 2HG ARG 25 -14.244 7.020 15.722
169 HD2 ARG 25 1HD ARG 25 -12.051 6.415 17.690
170 HD3 ARG 25 2HD ARG 25 -11.868 7.868 16.728
171 HH11 ARG 25 2HH2 ARG 25 -11.282 8.931 18.294
172 HH12 ARG 25 1HH2 ARG 25 -11.774 10.118 19.455
173 HH21 ARG 25 1HH1 ARG 25 -14.067 10.203 20.147
174 H ILE 26 H ILE 26 -13.481 2.202 14.919
175 HA ILE 26 HA ILE 26 -14.429 0.646 16.992
176 HB ILE 26 HB ILE 26 -13.495 -0.354 14.305
177 HG12 ILE 26 1HG1 ILE 26 -14.765 1.472 13.655
178 HG13 ILE 26 2HG1 ILE 26 -15.942 0.174 13.669
179 HG21 ILE 26 1HG2 ILE 26 -14.690 -1.654 16.486
180 HG22 ILE 26 2HG2 ILE 26 -15.991 -1.419 15.294
181 HG23 ILE 26 3HG2 ILE 26 -14.497 -2.265 14.826
182 HD11 ILE 26 3HD1 ILE 26 -16.372 0.915 16.165
183 HD12 ILE 26 1HD1 ILE 26 -15.586 2.429 15.656
184 HD13 ILE 26 2HD1 ILE 26 -17.067 1.877 14.839
185 H ALA 27 H ALA 27 -11.436 0.030 15.015
186 HA ALA 27 HA ALA 27 -10.422 -2.031 16.433
187 HB1 ALA 27 3HB ALA 27 -9.560 -0.756 14.334
188 HB2 ALA 27 1HB ALA 27 -8.657 0.243 15.498
189 HB3 ALA 27 2HB ALA 27 -8.364 -1.511 15.414
190 H GLU 28 H GLU 28 -10.027 1.497 17.169
191 HA GLU 28 HA GLU 28 -8.373 1.242 19.306
192 HE2 GLU 28 HE2 GLU 28 -7.708 4.237 20.577
193 HB2 GLU 28 1HB GLU 28 -10.595 3.234 18.721
194 HB3 GLU 28 2HB GLU 28 -9.537 3.412 20.107
195 HG2 GLU 28 1HG GLU 28 -7.726 2.924 18.041
196 HG3 GLU 28 2HG GLU 28 -8.967 3.861 17.232
197 H ALA 29 H ALA 29 -12.007 1.484 19.422
198 HA ALA 29 HA ALA 29 -12.351 1.111 22.095
199 HB1 ALA 29 3HB ALA 29 -14.123 -0.193 20.009
200 HB2 ALA 29 1HB ALA 29 -14.591 0.558 21.553
201 HB3 ALA 29 2HB ALA 29 -14.042 1.575 20.199
202 H MET 30 H MET 30 -12.365 -1.513 19.571
203 HA MET 30 HA MET 30 -12.663 -3.657 21.069
204 HB2 MET 30 1HB MET 30 -10.572 -3.197 18.871
205 HB3 MET 30 2HB MET 30 -11.014 -4.793 19.446
206 HG2 MET 30 1HG MET 30 -13.425 -4.296 18.827
207 HG3 MET 30 2HG MET 30 -12.901 -2.768 18.148
208 HE1 MET 30 3HE MET 30 -13.854 -4.501 15.183
209 HE2 MET 30 1HE MET 30 -13.936 -6.011 16.121
210 HE3 MET 30 2HE MET 30 -14.523 -4.489 16.832
211 H ALA 31 H ALA 31 -9.436 -2.060 20.548
212 HA ALA 31 HA ALA 31 -8.085 -3.770 22.333
213 HB1 ALA 31 3HB ALA 31 -7.547 -1.222 20.854
214 HB2 ALA 31 1HB ALA 31 -6.482 -1.619 22.224
215 HB3 ALA 31 2HB ALA 31 -6.638 -2.753 20.861
216 H LYS 32 H LYS 32 -9.242 -3.910 24.304
217 HA LYS 32 HA LYS 32 -10.016 -1.554 25.694
218 HB2 LYS 32 1HB LYS 32 -11.116 -3.834 25.816
219 HB3 LYS 32 2HB LYS 32 -9.757 -4.366 26.785
220 HG2 LYS 32 1HG LYS 32 -11.125 -3.652 28.506
221 HG3 LYS 32 2HG LYS 32 -10.329 -2.127 28.173
222 HD2 LYS 32 1HD LYS 32 -12.868 -2.875 26.686
223 HD3 LYS 32 2HD LYS 32 -12.962 -2.207 28.303
224 HE2 LYS 32 1HE LYS 32 -11.190 -0.446 27.132
225 HE3 LYS 32 2HE LYS 32 -12.173 -0.881 25.748
226 HZ1 LYS 32 2HZ LYS 32 -13.045 0.413 28.247
227 HZ3 LYS 32 1HZ LYS 32 -14.133 -0.419 27.367
228 H GLY 33 H GLY 33 -7.585 -4.134 26.515
229 HA2 GLY 33 1HA GLY 33 -5.651 -2.104 27.245
230 HA3 GLY 33 2HA GLY 33 -6.315 -3.005 28.594
Start of MODEL 7
1 HA ARG 1 HA ARG 1 -6.050 14.667 4.037
2 HE ARG 1 HE ARG 1 -7.418 11.356 0.815
3 H1 ARG 1 1H ARG 1 -7.932 15.343 2.130
4 HB2 ARG 1 1HB ARG 1 -5.467 12.810 2.475
5 HB3 ARG 1 2HB ARG 1 -7.204 12.998 2.613
6 HG2 ARG 1 1HG ARG 1 -6.122 14.696 0.473
7 HG3 ARG 1 2HG ARG 1 -5.685 13.017 0.228
8 HD2 ARG 1 1HD ARG 1 -8.533 13.985 0.776
9 HD3 ARG 1 2HD ARG 1 -7.898 13.646 -0.822
10 HH11 ARG 1 2HH2 ARG 1 -10.147 13.092 -0.633
11 HH12 ARG 1 1HH2 ARG 1 -11.150 11.683 -0.732
12 HH21 ARG 1 1HH1 ARG 1 -10.304 9.582 0.049
13 H GLY 2 H GLY 2 -3.651 14.087 3.418
14 HA2 GLY 2 1HA GLY 2 -2.454 15.754 1.380
15 HA3 GLY 2 2HA GLY 2 -2.135 16.278 3.021
16 H LYS 3 H LYS 3 -0.578 14.795 0.673
17 HA LYS 3 HA LYS 3 0.135 12.283 1.686
18 HB2 LYS 3 1HB LYS 3 1.508 14.187 -0.228
19 HB3 LYS 3 2HB LYS 3 2.119 12.585 0.136
20 HG2 LYS 3 1HG LYS 3 0.648 11.654 -1.314
21 HG3 LYS 3 2HG LYS 3 -0.702 12.344 -0.435
22 HD2 LYS 3 1HD LYS 3 0.072 14.585 -1.722
23 HD3 LYS 3 2HD LYS 3 0.747 13.424 -2.848
24 HE2 LYS 3 1HE LYS 3 -1.369 12.516 -3.398
25 HE3 LYS 3 2HE LYS 3 -2.105 13.053 -1.902
26 HZ1 LYS 3 2HZ LYS 3 -2.796 14.848 -3.038
27 HZ3 LYS 3 1HZ LYS 3 -1.937 14.452 -4.363
28 H TRP 4 H TRP 4 2.027 11.596 2.837
29 HA TRP 4 HA TRP 4 3.118 13.741 4.523
30 HD1 TRP 4 HD1 TRP 4 0.368 10.840 4.127
31 HE1 TRP 4 HE1 TRP 4 0.166 8.226 3.827
32 HE3 TRP 4 HE3 TRP 4 4.841 9.721 6.270
33 HZ2 TRP 4 HZ2 TRP 4 1.862 6.033 4.504
34 HZ3 TRP 4 HZ3 TRP 4 5.493 7.320 6.411
35 HH2 TRP 4 HH2 TRP 4 4.085 5.506 5.571
36 HB2 TRP 4 1HB TRP 4 3.658 11.743 6.050
37 HB3 TRP 4 2HB TRP 4 2.018 12.359 5.987
38 H THR 5 H THR 5 5.389 12.556 5.497
39 HA THR 5 HA THR 5 6.864 11.585 3.156
40 HB THR 5 HB THR 5 7.780 13.851 5.001
41 HG1 THR 5 HG1 THR 5 6.615 13.646 2.318
42 HG21 THR 5 3HG2 THR 5 8.800 12.887 2.278
43 HG22 THR 5 1HG2 THR 5 9.474 14.223 3.243
44 HG23 THR 5 2HG2 THR 5 9.608 12.546 3.826
45 H TYR 6 H TYR 6 7.452 9.580 3.717
46 HA TYR 6 HA TYR 6 8.143 9.095 6.510
47 HD1 TYR 6 HD1 TYR 6 8.091 4.868 4.693
48 HD2 TYR 6 HD2 TYR 6 7.303 7.768 7.739
49 HE1 TYR 6 HE1 TYR 6 8.201 3.048 6.465
50 HE2 TYR 6 HE2 TYR 6 7.416 5.938 9.500
51 HH TYR 6 HH TYR 6 8.801 3.085 9.046
52 HB2 TYR 6 1HB TYR 6 6.578 7.723 4.820
53 HB3 TYR 6 2HB TYR 6 8.088 7.155 4.137
54 H ASN 7 H ASN 7 9.465 8.189 3.239
55 HA ASN 7 HA ASN 7 12.083 8.201 4.503
56 HB2 ASN 7 1HB ASN 7 11.047 6.164 3.131
57 HB3 ASN 7 2HB ASN 7 11.512 7.102 1.726
58 HD21 ASN 7 2HD2 ASN 7 14.180 4.814 3.609
59 HD22 ASN 7 1HD2 ASN 7 12.456 4.731 3.748
60 H GLY 8 H GLY 8 10.876 10.715 3.862
61 HA2 GLY 8 1HA GLY 8 11.392 12.654 2.844
62 HA3 GLY 8 2HA GLY 8 12.826 11.889 2.190
63 H ILE 9 H ILE 9 9.423 10.811 1.687
64 HA ILE 9 HA ILE 9 9.391 11.945 -0.964
65 HB ILE 9 HB ILE 9 9.269 9.949 -2.180
66 HG12 ILE 9 1HG1 ILE 9 9.733 7.822 -0.397
67 HG13 ILE 9 2HG1 ILE 9 8.475 8.783 0.354
68 HG21 ILE 9 1HG2 ILE 9 11.510 9.634 -0.163
69 HG22 ILE 9 2HG2 ILE 9 11.430 8.878 -1.772
70 HG23 ILE 9 3HG2 ILE 9 11.545 10.648 -1.625
71 HD11 ILE 9 3HD1 ILE 9 7.303 8.801 -1.951
72 HD12 ILE 9 1HD1 ILE 9 8.461 7.533 -2.420
73 HD13 ILE 9 2HD1 ILE 9 7.325 7.250 -1.079
74 H THR 10 H THR 10 7.291 12.291 -1.692
75 HA THR 10 HA THR 10 5.263 12.104 0.303
76 HB THR 10 HB THR 10 5.702 13.296 -2.396
77 HG1 THR 10 HG1 THR 10 5.634 14.263 -0.134
78 HG21 THR 10 3HG2 THR 10 3.060 12.109 -1.557
79 HG22 THR 10 1HG2 THR 10 3.040 13.768 -2.201
80 HG23 THR 10 2HG2 THR 10 3.679 12.436 -3.194
81 H TYR 11 H TYR 11 4.332 10.245 0.886
82 HA TYR 11 HA TYR 11 4.174 8.073 -0.988
83 HD1 TYR 11 HD1 TYR 11 3.750 5.743 2.682
84 HD2 TYR 11 HD2 TYR 11 6.145 8.313 0.241
85 HE1 TYR 11 HE1 TYR 11 5.793 4.307 3.162
86 HE2 TYR 11 HE2 TYR 11 8.180 6.869 0.729
87 HH TYR 11 HH TYR 11 8.427 4.276 1.395
88 HB2 TYR 11 1HB TYR 11 3.531 8.752 1.906
89 HB3 TYR 11 2HB TYR 11 2.710 7.361 1.227
90 H GLU 12 H GLU 12 2.197 7.007 -1.655
91 HA GLU 12 HA GLU 12 0.067 8.946 -1.959
92 HE2 GLU 12 HE2 GLU 12 -0.363 3.565 -2.644
93 HB2 GLU 12 1HB GLU 12 -0.752 7.393 -3.746
94 HB3 GLU 12 2HB GLU 12 0.878 7.968 -4.035
95 HG2 GLU 12 1HG GLU 12 1.628 5.833 -4.106
96 HG3 GLU 12 2HG GLU 12 1.116 5.590 -2.447
97 H GLY 13 H GLY 13 -1.547 8.868 -0.458
98 HA2 GLY 13 1HA GLY 13 -1.932 6.751 1.333
99 HA3 GLY 13 2HA GLY 13 -3.047 8.063 1.007
100 H GLY 14 H GLY 14 -3.105 4.873 1.246
101 HA2 GLY 14 1HA GLY 14 -4.488 4.287 -1.276
102 HA3 GLY 14 2HA GLY 14 -3.933 3.133 -0.079
103 H GLY 15 H GLY 15 -6.601 3.195 -1.206
104 HA2 GLY 15 1HA GLY 15 -8.503 2.508 0.052
105 HA3 GLY 15 2HA GLY 15 -8.128 3.717 1.264
106 H GLY 16 H GLY 16 -7.886 6.097 0.183
107 HA2 GLY 16 1HA GLY 16 -9.047 7.825 -0.665
108 HA3 GLY 16 2HA GLY 16 -9.269 6.822 -2.085
109 H SER 17 H SER 17 -10.628 7.587 1.166
110 HA SER 17 HA SER 17 -13.217 7.654 0.168
111 HG SER 17 HG SER 17 -14.635 6.274 -0.139
112 HB2 SER 17 1HB SER 17 -12.432 5.032 0.555
113 HB3 SER 17 2HB SER 17 -13.161 5.399 2.106
114 H ALA 18 H ALA 18 -14.120 9.208 1.466
115 HA ALA 18 HA ALA 18 -12.985 10.292 3.657
116 HB1 ALA 18 3HB ALA 18 -15.441 10.932 4.233
117 HB2 ALA 18 1HB ALA 18 -14.782 11.440 2.659
118 HB3 ALA 18 2HB ALA 18 -15.862 10.028 2.759
119 H ALA 19 H ALA 19 -15.613 7.775 3.718
120 HA ALA 19 HA ALA 19 -15.841 7.399 6.372
121 HB1 ALA 19 3HB ALA 19 -15.666 4.863 4.883
122 HB2 ALA 19 1HB ALA 19 -17.051 5.602 5.721
123 HB3 ALA 19 2HB ALA 19 -16.645 6.101 4.061
124 H GLU 20 H GLU 20 -13.254 6.089 4.217
125 HA GLU 20 HA GLU 20 -12.018 4.765 6.410
126 HE2 GLU 20 HE2 GLU 20 -10.911 1.052 3.111
127 HB2 GLU 20 1HB GLU 20 -11.590 5.009 3.474
128 HB3 GLU 20 2HB GLU 20 -10.124 4.786 4.408
129 HG2 GLU 20 1HG GLU 20 -11.942 2.952 5.547
130 HG3 GLU 20 2HG GLU 20 -12.274 2.863 3.828
131 H ALA 21 H ALA 21 -12.259 7.226 7.398
132 HA ALA 21 HA ALA 21 -9.540 8.301 7.189
133 HB1 ALA 21 3HB ALA 21 -10.499 10.587 7.321
134 HB2 ALA 21 1HB ALA 21 -11.013 9.735 5.845
135 HB3 ALA 21 2HB ALA 21 -12.136 9.895 7.217
136 H TYR 22 H TYR 22 -12.683 8.465 9.014
137 HA TYR 22 HA TYR 22 -11.145 8.806 11.469
138 HD1 TYR 22 HD1 TYR 22 -14.237 7.315 12.910
139 HD2 TYR 22 HD2 TYR 22 -15.226 9.492 9.362
140 HE1 TYR 22 HE1 TYR 22 -16.418 6.023 12.716
141 HE2 TYR 22 HE2 TYR 22 -17.403 8.192 9.180
142 HH TYR 22 HH TYR 22 -18.328 6.126 9.886
143 HB2 TYR 22 1HB TYR 22 -13.227 9.690 12.258
144 HB3 TYR 22 2HB TYR 22 -13.317 10.088 10.554
145 H ALA 23 H ALA 23 -13.453 6.566 9.849
146 HA ALA 23 HA ALA 23 -13.956 4.888 11.978
147 HB1 ALA 23 3HB ALA 23 -14.200 3.161 10.041
148 HB2 ALA 23 1HB ALA 23 -15.251 4.598 10.036
149 HB3 ALA 23 2HB ALA 23 -13.821 4.536 8.977
150 H LYS 24 H LYS 24 -11.291 4.761 9.519
151 HA LYS 24 HA LYS 24 -10.076 2.466 10.378
152 HB2 LYS 24 1HB LYS 24 -8.013 3.431 9.378
153 HB3 LYS 24 2HB LYS 24 -9.421 3.540 8.341
154 HG2 LYS 24 1HG LYS 24 -9.773 5.908 9.050
155 HG3 LYS 24 2HG LYS 24 -8.383 5.803 10.113
156 HD2 LYS 24 1HD LYS 24 -7.771 4.949 7.346
157 HD3 LYS 24 2HD LYS 24 -8.337 6.605 7.432
158 HE2 LYS 24 1HE LYS 24 -6.487 7.330 8.628
159 HE3 LYS 24 2HE LYS 24 -6.326 5.824 9.509
160 HZ1 LYS 24 2HZ LYS 24 -5.567 4.848 7.296
161 HZ3 LYS 24 1HZ LYS 24 -4.525 5.884 7.998
162 H ARG 25 H ARG 25 -10.132 5.695 11.860
163 HA ARG 25 HA ARG 25 -8.029 5.006 13.654
164 HE ARG 25 HE ARG 25 -6.753 9.099 14.127
165 HB2 ARG 25 1HB ARG 25 -9.959 7.381 13.628
166 HB3 ARG 25 2HB ARG 25 -8.570 7.246 14.687
167 HG2 ARG 25 1HG ARG 25 -8.301 7.069 11.657
168 HG3 ARG 25 2HG ARG 25 -8.266 8.606 12.498
169 HD2 ARG 25 1HD ARG 25 -6.452 6.381 13.461
170 HD3 ARG 25 2HD ARG 25 -6.005 7.267 12.017
171 HH11 ARG 25 2HH2 ARG 25 -4.105 6.992 13.076
172 HH12 ARG 25 1HH2 ARG 25 -2.884 7.914 13.889
173 HH21 ARG 25 1HH1 ARG 25 -3.517 9.863 15.131
174 H ILE 26 H ILE 26 -11.539 4.801 13.478
175 HA ILE 26 HA ILE 26 -12.103 4.807 16.226
176 HB ILE 26 HB ILE 26 -13.526 3.701 13.813
177 HG12 ILE 26 1HG1 ILE 26 -13.190 6.224 14.214
178 HG13 ILE 26 2HG1 ILE 26 -14.800 5.643 13.838
179 HG21 ILE 26 1HG2 ILE 26 -15.491 3.838 15.644
180 HG22 ILE 26 2HG2 ILE 26 -14.573 2.353 15.296
181 HG23 ILE 26 3HG2 ILE 26 -14.138 3.362 16.697
182 HD11 ILE 26 3HD1 ILE 26 -14.489 7.301 15.849
183 HD12 ILE 26 1HD1 ILE 26 -15.565 5.899 16.059
184 HD13 ILE 26 2HD1 ILE 26 -13.917 5.864 16.730
185 H ALA 27 H ALA 27 -11.735 2.047 13.887
186 HA ALA 27 HA ALA 27 -11.958 0.001 15.669
187 HB1 ALA 27 3HB ALA 27 -9.901 -0.002 13.448
188 HB2 ALA 27 1HB ALA 27 -10.951 -1.328 14.000
189 HB3 ALA 27 2HB ALA 27 -11.645 0.037 13.093
190 H GLU 28 H GLU 28 -8.968 1.857 14.790
191 HA GLU 28 HA GLU 28 -7.181 0.477 16.257
192 HE2 GLU 28 HE2 GLU 28 -3.841 2.185 12.762
193 HB2 GLU 28 1HB GLU 28 -7.403 3.459 15.704
194 HB3 GLU 28 2HB GLU 28 -6.010 2.774 16.517
195 HG2 GLU 28 1HG GLU 28 -6.338 1.076 14.314
196 HG3 GLU 28 2HG GLU 28 -6.766 2.645 13.662
197 H ALA 29 H ALA 29 -8.997 3.415 17.420
198 HA ALA 29 HA ALA 29 -8.140 3.428 19.999
199 HB1 ALA 29 3HB ALA 29 -10.489 4.408 20.442
200 HB2 ALA 29 1HB ALA 29 -9.482 5.218 19.219
201 HB3 ALA 29 2HB ALA 29 -10.794 4.127 18.711
202 H MET 30 H MET 30 -11.150 1.769 18.796
203 HA MET 30 HA MET 30 -11.981 0.602 21.011
204 HB2 MET 30 1HB MET 30 -11.663 -0.683 18.242
205 HB3 MET 30 2HB MET 30 -12.695 -1.344 19.494
206 HG2 MET 30 1HG MET 30 -13.903 0.921 19.560
207 HG3 MET 30 2HG MET 30 -12.979 1.380 18.144
208 HE1 MET 30 3HE MET 30 -16.261 -0.719 19.260
209 HE2 MET 30 1HE MET 30 -15.997 1.017 18.967
210 HE3 MET 30 2HE MET 30 -16.904 0.042 17.785
211 H ALA 31 H ALA 31 -9.550 -0.977 18.803
212 HA ALA 31 HA ALA 31 -8.997 -3.206 20.184
213 HB1 ALA 31 3HB ALA 31 -6.680 -2.989 19.256
214 HB2 ALA 31 1HB ALA 31 -7.951 -2.638 18.061
215 HB3 ALA 31 2HB ALA 31 -7.051 -1.303 18.820
216 H LYS 32 H LYS 32 -7.982 -3.828 22.073
217 HA LYS 32 HA LYS 32 -7.061 -3.665 24.072
218 HB2 LYS 32 1HB LYS 32 -5.776 -1.132 23.007
219 HB3 LYS 32 2HB LYS 32 -5.317 -1.961 24.481
220 HG2 LYS 32 1HG LYS 32 -5.325 -3.324 21.751
221 HG3 LYS 32 2HG LYS 32 -3.914 -2.518 22.406
222 HD2 LYS 32 1HD LYS 32 -4.971 -4.259 24.456
223 HD3 LYS 32 2HD LYS 32 -4.869 -5.180 22.968
224 HE2 LYS 32 1HE LYS 32 -2.520 -3.442 23.750
225 HE3 LYS 32 2HE LYS 32 -2.757 -4.957 24.598
226 HZ1 LYS 32 2HZ LYS 32 -2.606 -4.738 21.639
227 HZ3 LYS 32 1HZ LYS 32 -2.685 -6.125 22.488
228 H GLY 33 H GLY 33 -9.712 -2.426 23.322
229 HA2 GLY 33 1HA GLY 33 -9.940 -0.191 25.179
230 HA3 GLY 33 2HA GLY 33 -11.174 -0.825 24.107
Start of MODEL 8
1 HA ARG 1 HA ARG 1 -0.707 12.211 -8.885
2 HE ARG 1 HE ARG 1 -0.908 13.691 -10.922
3 H1 ARG 1 1H ARG 1 -0.726 11.363 -10.876
4 HB2 ARG 1 1HB ARG 1 -3.387 12.358 -9.801
5 HB3 ARG 1 2HB ARG 1 -3.528 11.842 -8.132
6 HG2 ARG 1 1HG ARG 1 -3.469 14.165 -7.866
7 HG3 ARG 1 2HG ARG 1 -1.775 13.771 -7.657
8 HD2 ARG 1 1HD ARG 1 -3.003 14.594 -10.333
9 HD3 ARG 1 2HD ARG 1 -2.212 15.714 -9.241
10 HH11 ARG 1 2HH2 ARG 1 -0.543 15.786 -8.088
11 HH12 ARG 1 1HH2 ARG 1 1.188 15.771 -8.146
12 HH21 ARG 1 1HH1 ARG 1 2.295 14.521 -9.865
13 H GLY 2 H GLY 2 -0.321 9.276 -9.092
14 HA2 GLY 2 1HA GLY 2 -1.678 7.844 -7.110
15 HA3 GLY 2 2HA GLY 2 -0.098 7.473 -7.771
16 H LYS 3 H LYS 3 0.921 6.886 -5.821
17 HA LYS 3 HA LYS 3 0.672 8.237 -3.425
18 HB2 LYS 3 1HB LYS 3 2.590 6.993 -2.716
19 HB3 LYS 3 2HB LYS 3 1.629 5.965 -3.759
20 HG2 LYS 3 1HG LYS 3 3.761 7.606 -5.095
21 HG3 LYS 3 2HG LYS 3 4.312 6.295 -4.071
22 HD2 LYS 3 1HD LYS 3 2.534 4.843 -5.374
23 HD3 LYS 3 2HD LYS 3 2.569 6.140 -6.552
24 HE2 LYS 3 1HE LYS 3 4.945 5.835 -6.954
25 HE3 LYS 3 2HE LYS 3 5.113 4.776 -5.568
26 HZ1 LYS 3 2HZ LYS 3 3.251 3.464 -6.966
27 HZ3 LYS 3 1HZ LYS 3 4.844 3.189 -7.162
28 H TRP 4 H TRP 4 1.962 9.826 -2.354
29 HA TRP 4 HA TRP 4 3.503 11.483 -4.234
30 HD1 TRP 4 HD1 TRP 4 -0.139 10.824 -2.662
31 HE1 TRP 4 HE1 TRP 4 -1.409 10.836 -0.349
32 HE3 TRP 4 HE3 TRP 4 2.987 14.113 -0.367
33 HZ2 TRP 4 HZ2 TRP 4 -0.974 12.190 2.126
34 HZ3 TRP 4 HZ3 TRP 4 2.493 14.727 1.998
35 HH2 TRP 4 HH2 TRP 4 0.592 13.823 3.240
36 HB2 TRP 4 1HB TRP 4 2.855 13.347 -2.588
37 HB3 TRP 4 2HB TRP 4 1.684 12.804 -3.773
38 H THR 5 H THR 5 4.836 13.123 -2.494
39 HA THR 5 HA THR 5 6.085 11.363 -0.509
40 HB THR 5 HB THR 5 8.310 12.431 -1.440
41 HG1 THR 5 HG1 THR 5 7.904 13.602 -3.274
42 HG21 THR 5 3HG2 THR 5 7.234 9.983 -1.901
43 HG22 THR 5 1HG2 THR 5 7.085 10.654 -3.543
44 HG23 THR 5 2HG2 THR 5 8.684 10.545 -2.768
45 H TYR 6 H TYR 6 5.648 12.321 1.380
46 HA TYR 6 HA TYR 6 5.597 15.237 1.447
47 HD1 TYR 6 HD1 TYR 6 4.052 14.073 5.613
48 HD2 TYR 6 HD2 TYR 6 4.038 16.383 2.012
49 HE1 TYR 6 HE1 TYR 6 3.074 16.051 6.877
50 HE2 TYR 6 HE2 TYR 6 3.061 18.353 3.288
51 HH TYR 6 HH TYR 6 1.638 18.600 5.399
52 HB2 TYR 6 1HB TYR 6 3.888 13.424 2.436
53 HB3 TYR 6 2HB TYR 6 5.091 13.211 3.692
54 H ASN 7 H ASN 7 6.899 12.551 3.533
55 HA ASN 7 HA ASN 7 9.066 14.382 4.189
56 HB2 ASN 7 1HB ASN 7 7.822 12.039 5.704
57 HB3 ASN 7 2HB ASN 7 9.367 12.716 6.176
58 HD21 ASN 7 2HD2 ASN 7 5.864 14.901 6.566
59 HD22 ASN 7 1HD2 ASN 7 6.016 13.607 5.424
60 H GLY 8 H GLY 8 9.213 13.015 1.722
61 HA2 GLY 8 1HA GLY 8 10.645 11.758 0.526
62 HA3 GLY 8 2HA GLY 8 11.623 11.560 1.966
63 H ILE 9 H ILE 9 8.160 10.638 1.726
64 HA ILE 9 HA ILE 9 8.887 7.850 1.412
65 HB ILE 9 HB ILE 9 7.924 7.087 3.408
66 HG12 ILE 9 1HG1 ILE 9 7.227 9.429 4.873
67 HG13 ILE 9 2HG1 ILE 9 6.432 9.535 3.315
68 HG21 ILE 9 1HG2 ILE 9 10.196 7.830 3.698
69 HG22 ILE 9 2HG2 ILE 9 9.658 9.500 3.998
70 HG23 ILE 9 3HG2 ILE 9 9.266 8.216 5.166
71 HD11 ILE 9 3HD1 ILE 9 5.939 6.917 3.851
72 HD12 ILE 9 1HD1 ILE 9 6.050 7.541 5.514
73 HD13 ILE 9 2HD1 ILE 9 4.860 8.228 4.383
74 H THR 10 H THR 10 7.234 6.626 0.468
75 HA THR 10 HA THR 10 5.176 8.194 -0.782
76 HB THR 10 HB THR 10 6.465 5.527 -1.033
77 HG1 THR 10 HG1 THR 10 5.037 7.508 -2.660
78 HG21 THR 10 3HG2 THR 10 4.395 4.425 -0.884
79 HG22 THR 10 1HG2 THR 10 3.476 5.890 -1.306
80 HG23 THR 10 2HG2 THR 10 4.327 4.977 -2.575
81 H TYR 11 H TYR 11 3.305 8.740 0.126
82 HA TYR 11 HA TYR 11 2.406 7.271 2.446
83 HD1 TYR 11 HD1 TYR 11 4.169 9.147 2.578
84 HD2 TYR 11 HD2 TYR 11 0.349 10.799 3.567
85 HE1 TYR 11 HE1 TYR 11 5.191 10.326 4.585
86 HE2 TYR 11 HE2 TYR 11 1.384 11.973 5.570
87 HH TYR 11 HH TYR 11 4.840 11.575 6.306
88 HB2 TYR 11 1HB TYR 11 1.776 9.789 0.857
89 HB3 TYR 11 2HB TYR 11 0.500 9.161 1.880
90 H GLU 12 H GLU 12 0.161 6.477 2.649
91 HA GLU 12 HA GLU 12 -0.615 5.235 0.154
92 HE2 GLU 12 HE2 GLU 12 -0.902 3.954 5.746
93 HB2 GLU 12 1HB GLU 12 -2.016 3.762 1.625
94 HB3 GLU 12 2HB GLU 12 -0.310 3.711 2.022
95 HG2 GLU 12 1HG GLU 12 -0.620 5.188 3.931
96 HG3 GLU 12 2HG GLU 12 -2.262 5.569 3.450
97 H GLY 13 H GLY 13 -1.558 7.734 2.426
98 HA2 GLY 13 1HA GLY 13 -3.135 9.328 1.336
99 HA3 GLY 13 2HA GLY 13 -4.194 7.952 1.098
100 H GLY 14 H GLY 14 -4.577 6.589 3.249
101 HA2 GLY 14 1HA GLY 14 -4.710 6.713 5.637
102 HA3 GLY 14 2HA GLY 14 -4.850 8.456 5.522
103 H GLY 15 H GLY 15 -6.496 5.542 4.077
104 HA2 GLY 15 1HA GLY 15 -8.676 4.966 4.037
105 HA3 GLY 15 2HA GLY 15 -9.004 6.181 5.257
106 H GLY 16 H GLY 16 -9.198 8.499 4.543
107 HA2 GLY 16 1HA GLY 16 -9.246 9.443 1.988
108 HA3 GLY 16 2HA GLY 16 -10.799 8.650 2.162
109 H SER 17 H SER 17 -12.097 9.232 4.218
110 HA SER 17 HA SER 17 -12.148 12.073 4.342
111 HG SER 17 HG SER 17 -14.460 11.162 3.354
112 HB2 SER 17 1HB SER 17 -13.905 9.813 5.128
113 HB3 SER 17 2HB SER 17 -13.996 11.189 6.209
114 H ALA 18 H ALA 18 -11.282 13.365 5.947
115 HA ALA 18 HA ALA 18 -9.389 12.545 7.673
116 HB1 ALA 18 3HB ALA 18 -11.108 14.682 8.770
117 HB2 ALA 18 1HB ALA 18 -9.395 14.726 8.288
118 HB3 ALA 18 2HB ALA 18 -10.670 14.911 7.060
119 H ALA 19 H ALA 19 -12.943 12.767 8.334
120 HA ALA 19 HA ALA 19 -12.768 11.955 11.005
121 HB1 ALA 19 3HB ALA 19 -14.893 12.118 8.885
122 HB2 ALA 19 1HB ALA 19 -15.249 11.222 10.381
123 HB3 ALA 19 2HB ALA 19 -14.792 12.940 10.461
124 H GLU 20 H GLU 20 -13.293 10.121 7.927
125 HA GLU 20 HA GLU 20 -13.196 7.671 9.437
126 HE2 GLU 20 HE2 GLU 20 -17.483 5.741 7.983
127 HB2 GLU 20 1HB GLU 20 -13.911 8.439 6.613
128 HB3 GLU 20 2HB GLU 20 -13.414 6.786 6.914
129 HG2 GLU 20 1HG GLU 20 -15.231 7.436 9.015
130 HG3 GLU 20 2HG GLU 20 -15.948 8.084 7.553
131 H ALA 21 H ALA 21 -10.801 9.047 9.715
132 HA ALA 21 HA ALA 21 -9.013 7.456 8.007
133 HB1 ALA 21 3HB ALA 21 -7.874 9.307 7.400
134 HB2 ALA 21 1HB ALA 21 -9.273 10.231 7.996
135 HB3 ALA 21 2HB ALA 21 -7.876 9.948 9.061
136 H TYR 22 H TYR 22 -9.412 9.260 11.130
137 HA TYR 22 HA TYR 22 -7.379 7.544 12.318
138 HD1 TYR 22 HD1 TYR 22 -9.331 8.342 15.387
139 HD2 TYR 22 HD2 TYR 22 -9.668 11.573 12.604
140 HE1 TYR 22 HE1 TYR 22 -11.424 9.158 16.578
141 HE2 TYR 22 HE2 TYR 22 -11.760 12.378 13.803
142 HH TYR 22 HH TYR 22 -13.553 11.271 15.231
143 HB2 TYR 22 1HB TYR 22 -7.320 9.307 13.939
144 HB3 TYR 22 2HB TYR 22 -7.799 10.188 12.501
145 H ALA 23 H ALA 23 -10.883 8.347 12.536
146 HA ALA 23 HA ALA 23 -11.479 6.951 14.837
147 HB1 ALA 23 3HB ALA 23 -13.679 7.304 14.217
148 HB2 ALA 23 1HB ALA 23 -12.870 8.490 13.166
149 HB3 ALA 23 2HB ALA 23 -13.374 6.915 12.507
150 H LYS 24 H LYS 24 -11.481 5.804 11.391
151 HA LYS 24 HA LYS 24 -12.304 3.246 11.796
152 HB2 LYS 24 1HB LYS 24 -11.890 4.328 9.607
153 HB3 LYS 24 2HB LYS 24 -10.163 4.189 9.866
154 HG2 LYS 24 1HG LYS 24 -10.451 1.679 10.096
155 HG3 LYS 24 2HG LYS 24 -12.146 1.872 9.695
156 HD2 LYS 24 1HD LYS 24 -10.424 3.257 7.755
157 HD3 LYS 24 2HD LYS 24 -10.010 1.558 7.875
158 HE2 LYS 24 1HE LYS 24 -12.938 2.240 7.721
159 HE3 LYS 24 2HE LYS 24 -11.993 2.460 6.262
160 HZ1 LYS 24 2HZ LYS 24 -11.196 0.013 7.175
161 HZ3 LYS 24 1HZ LYS 24 -12.286 0.253 5.990
162 H ARG 25 H ARG 25 -9.140 4.717 12.544
163 HA ARG 25 HA ARG 25 -7.973 2.187 13.080
164 HE ARG 25 HE ARG 25 -4.001 3.671 12.233
165 HB2 ARG 25 1HB ARG 25 -7.024 5.013 13.777
166 HB3 ARG 25 2HB ARG 25 -6.041 3.568 13.913
167 HG2 ARG 25 1HG ARG 25 -7.351 4.361 11.281
168 HG3 ARG 25 2HG ARG 25 -5.788 4.997 11.754
169 HD2 ARG 25 1HD ARG 25 -6.255 2.002 11.844
170 HD3 ARG 25 2HD ARG 25 -5.938 2.774 10.302
171 HH11 ARG 25 2HH2 ARG 25 -4.839 0.817 10.307
172 HH12 ARG 25 1HH2 ARG 25 -3.215 0.215 10.266
173 HH21 ARG 25 1HH1 ARG 25 -1.480 1.442 11.373
174 H ILE 26 H ILE 26 -9.697 4.740 14.851
175 HA ILE 26 HA ILE 26 -8.855 4.152 17.432
176 HB ILE 26 HB ILE 26 -11.405 5.309 16.321
177 HG12 ILE 26 1HG1 ILE 26 -9.125 6.481 16.090
178 HG13 ILE 26 2HG1 ILE 26 -10.476 7.402 16.720
179 HG21 ILE 26 1HG2 ILE 26 -10.742 4.515 19.087
180 HG22 ILE 26 2HG2 ILE 26 -11.358 6.174 18.893
181 HG23 ILE 26 3HG2 ILE 26 -12.319 4.794 18.310
182 HD11 ILE 26 3HD1 ILE 26 -8.797 5.924 18.724
183 HD12 ILE 26 1HD1 ILE 26 -8.081 7.358 17.952
184 HD13 ILE 26 2HD1 ILE 26 -9.602 7.505 18.864
185 H ALA 27 H ALA 27 -11.813 2.990 15.663
186 HA ALA 27 HA ALA 27 -12.743 1.285 17.581
187 HB1 ALA 27 3HB ALA 27 -13.572 1.993 15.157
188 HB2 ALA 27 1HB ALA 27 -12.808 0.454 14.693
189 HB3 ALA 27 2HB ALA 27 -14.115 0.470 15.901
190 H GLU 28 H GLU 28 -10.373 0.555 14.927
191 HA GLU 28 HA GLU 28 -9.983 -2.059 15.464
192 HE2 GLU 28 HE2 GLU 28 -8.637 -3.642 11.234
193 HB2 GLU 28 1HB GLU 28 -8.008 0.069 14.550
194 HB3 GLU 28 2HB GLU 28 -7.604 -1.636 14.575
195 HG2 GLU 28 1HG GLU 28 -10.137 -1.499 13.295
196 HG3 GLU 28 2HG GLU 28 -9.226 -0.152 12.642
197 H ALA 29 H ALA 29 -7.905 0.642 16.759
198 HA ALA 29 HA ALA 29 -6.330 -0.776 18.429
199 HB1 ALA 29 3HB ALA 29 -7.568 1.977 18.597
200 HB2 ALA 29 1HB ALA 29 -6.492 1.387 19.887
201 HB3 ALA 29 2HB ALA 29 -5.890 1.520 18.217
202 H MET 30 H MET 30 -9.458 0.784 19.451
203 HA MET 30 HA MET 30 -9.629 -0.148 21.929
204 HB2 MET 30 1HB MET 30 -11.810 0.002 19.779
205 HB3 MET 30 2HB MET 30 -12.179 -0.230 21.477
206 HG2 MET 30 1HG MET 30 -10.320 2.008 21.140
207 HG3 MET 30 2HG MET 30 -11.741 2.242 20.141
208 HE1 MET 30 3HE MET 30 -11.298 1.557 24.533
209 HE2 MET 30 1HE MET 30 -10.087 1.780 23.247
210 HE3 MET 30 2HE MET 30 -10.829 3.198 24.026
211 H ALA 31 H ALA 31 -10.847 -1.958 19.015
212 HA ALA 31 HA ALA 31 -11.815 -4.183 20.157
213 HB1 ALA 31 3HB ALA 31 -11.326 -3.422 17.642
214 HB2 ALA 31 1HB ALA 31 -9.957 -4.544 17.829
215 HB3 ALA 31 2HB ALA 31 -11.623 -5.127 18.060
216 H LYS 32 H LYS 32 -11.070 -6.058 21.150
217 HA LYS 32 HA LYS 32 -8.226 -6.537 21.249
218 HB2 LYS 32 1HB LYS 32 -8.685 -4.869 23.075
219 HB3 LYS 32 2HB LYS 32 -9.742 -6.046 23.827
220 HG2 LYS 32 1HG LYS 32 -7.764 -7.688 23.789
221 HG3 LYS 32 2HG LYS 32 -6.754 -6.346 23.290
222 HD2 LYS 32 1HD LYS 32 -6.517 -6.411 25.660
223 HD3 LYS 32 2HD LYS 32 -7.628 -5.086 25.372
224 HE2 LYS 32 1HE LYS 32 -8.565 -6.401 27.172
225 HE3 LYS 32 2HE LYS 32 -9.556 -6.705 25.759
226 HZ1 LYS 32 2HZ LYS 32 -9.104 -8.866 26.128
227 HZ3 LYS 32 1HZ LYS 32 -7.930 -8.552 27.211
228 H GLY 33 H GLY 33 -7.738 -8.719 21.709
229 HA2 GLY 33 1HA GLY 33 -10.117 -10.458 21.992
230 HA3 GLY 33 2HA GLY 33 -8.784 -10.808 20.909
Start of MODEL 9
1 HA ARG 1 HA ARG 1 -4.636 11.500 -7.498
2 HE ARG 1 HE ARG 1 -7.755 9.818 -10.389
3 H1 ARG 1 1H ARG 1 -2.914 10.551 -9.580
4 HB2 ARG 1 1HB ARG 1 -4.084 8.546 -7.995
5 HB3 ARG 1 2HB ARG 1 -4.453 9.127 -6.383
6 HG2 ARG 1 1HG ARG 1 -6.620 8.711 -7.052
7 HG3 ARG 1 2HG ARG 1 -6.489 10.331 -7.706
8 HD2 ARG 1 1HD ARG 1 -5.576 9.169 -9.874
9 HD3 ARG 1 2HD ARG 1 -6.216 7.689 -9.188
10 HH11 ARG 1 2HH2 ARG 1 -7.899 7.419 -7.784
11 HH12 ARG 1 1HH2 ARG 1 -9.629 7.345 -7.780
12 HH21 ARG 1 1HH1 ARG 1 -10.867 8.706 -9.316
13 H GLY 2 H GLY 2 -3.395 12.145 -5.722
14 HA2 GLY 2 1HA GLY 2 -1.470 11.364 -4.305
15 HA3 GLY 2 2HA GLY 2 -0.539 11.381 -5.790
16 H LYS 3 H LYS 3 0.043 12.966 -3.425
17 HA LYS 3 HA LYS 3 -0.678 15.659 -4.319
18 HB2 LYS 3 1HB LYS 3 -1.121 14.799 -1.924
19 HB3 LYS 3 2HB LYS 3 0.608 14.943 -1.684
20 HG2 LYS 3 1HG LYS 3 -0.262 17.043 -0.971
21 HG3 LYS 3 2HG LYS 3 0.395 17.365 -2.563
22 HD2 LYS 3 1HD LYS 3 -1.928 18.330 -2.147
23 HD3 LYS 3 2HD LYS 3 -1.787 17.343 -3.589
24 HE2 LYS 3 1HE LYS 3 -2.911 15.488 -2.580
25 HE3 LYS 3 2HE LYS 3 -2.657 16.097 -0.957
26 HZ1 LYS 3 2HZ LYS 3 -4.951 16.438 -2.137
27 HZ3 LYS 3 1HZ LYS 3 -4.236 17.733 -2.820
28 H TRP 4 H TRP 4 2.192 13.988 -2.830
29 HA TRP 4 HA TRP 4 3.841 14.994 -4.981
30 HD1 TRP 4 HD1 TRP 4 2.404 17.796 -2.001
31 HE1 TRP 4 HE1 TRP 4 2.018 17.577 0.601
32 HE3 TRP 4 HE3 TRP 4 5.788 14.070 -1.282
33 HZ2 TRP 4 HZ2 TRP 4 3.147 15.908 2.622
34 HZ3 TRP 4 HZ3 TRP 4 6.086 13.202 1.036
35 HH2 TRP 4 HH2 TRP 4 4.831 14.061 2.951
36 HB2 TRP 4 1HB TRP 4 5.456 15.912 -3.168
37 HB3 TRP 4 2HB TRP 4 4.154 16.909 -3.787
38 H THR 5 H THR 5 6.322 14.333 -4.046
39 HA THR 5 HA THR 5 6.105 11.737 -2.729
40 HB THR 5 HB THR 5 7.670 10.903 -4.678
41 HG1 THR 5 HG1 THR 5 7.885 13.055 -5.616
42 HG21 THR 5 3HG2 THR 5 4.967 10.599 -4.315
43 HG22 THR 5 1HG2 THR 5 4.976 11.502 -5.849
44 HG23 THR 5 2HG2 THR 5 5.833 9.947 -5.727
45 H TYR 6 H TYR 6 7.303 12.106 -0.956
46 HA TYR 6 HA TYR 6 9.719 13.705 -1.245
47 HD1 TYR 6 HD1 TYR 6 9.964 15.598 0.170
48 HD2 TYR 6 HD2 TYR 6 9.809 12.438 3.050
49 HE1 TYR 6 HE1 TYR 6 11.697 16.798 1.591
50 HE2 TYR 6 HE2 TYR 6 11.543 13.648 4.461
51 HH TYR 6 HH TYR 6 12.873 15.341 4.613
52 HB2 TYR 6 1HB TYR 6 7.853 13.847 0.604
53 HB3 TYR 6 2HB TYR 6 8.451 12.305 1.185
54 H ASN 7 H ASN 7 8.795 10.571 0.364
55 HA ASN 7 HA ASN 7 11.444 9.634 -0.415
56 HB2 ASN 7 1HB ASN 7 10.850 10.055 2.149
57 HB3 ASN 7 2HB ASN 7 9.957 8.554 2.008
58 HD21 ASN 7 2HD2 ASN 7 13.873 8.495 2.697
59 HD22 ASN 7 1HD2 ASN 7 12.785 9.821 2.937
60 H GLY 8 H GLY 8 9.862 9.050 -2.366
61 HA2 GLY 8 1HA GLY 8 8.729 7.503 -3.535
62 HA3 GLY 8 2HA GLY 8 9.446 6.319 -2.460
63 H ILE 9 H ILE 9 7.227 8.983 -1.482
64 HA ILE 9 HA ILE 9 5.088 7.034 -1.137
65 HB ILE 9 HB ILE 9 4.731 8.166 1.172
66 HG12 ILE 9 1HG1 ILE 9 6.755 8.825 2.333
67 HG13 ILE 9 2HG1 ILE 9 7.732 8.508 0.913
68 HG21 ILE 9 1HG2 ILE 9 6.541 6.433 2.082
69 HG22 ILE 9 2HG2 ILE 9 5.007 5.917 1.340
70 HG23 ILE 9 3HG2 ILE 9 6.507 5.909 0.381
71 HD11 ILE 9 3HD1 ILE 9 5.408 10.424 0.667
72 HD12 ILE 9 1HD1 ILE 9 6.911 10.975 1.446
73 HD13 ILE 9 2HD1 ILE 9 6.942 10.392 -0.235
74 H THR 10 H THR 10 2.986 7.962 -1.198
75 HA THR 10 HA THR 10 3.006 10.762 -2.114
76 HB THR 10 HB THR 10 1.588 8.245 -2.982
77 HG1 THR 10 HG1 THR 10 2.844 8.988 -4.644
78 HG21 THR 10 3HG2 THR 10 0.250 10.360 -4.264
79 HG22 THR 10 1HG2 THR 10 -0.461 9.277 -3.043
80 HG23 THR 10 2HG2 THR 10 0.238 10.838 -2.550
81 H TYR 11 H TYR 11 2.055 12.254 -0.883
82 HA TYR 11 HA TYR 11 0.491 11.290 1.382
83 HD1 TYR 11 HD1 TYR 11 3.677 11.728 0.938
84 HD2 TYR 11 HD2 TYR 11 1.510 13.899 3.921
85 HE1 TYR 11 HE1 TYR 11 5.387 11.041 2.690
86 HE2 TYR 11 HE2 TYR 11 3.227 13.205 5.663
87 HH TYR 11 HH TYR 11 4.983 10.897 5.640
88 HB2 TYR 11 1HB TYR 11 1.974 13.803 0.476
89 HB3 TYR 11 2HB TYR 11 0.762 13.968 1.731
90 H GLU 12 H GLU 12 -1.471 12.614 2.022
91 HA GLU 12 HA GLU 12 -2.837 13.539 -0.383
92 HE2 GLU 12 HE2 GLU 12 -3.956 8.630 2.505
93 HB2 GLU 12 1HB GLU 12 -4.953 12.594 0.602
94 HB3 GLU 12 2HB GLU 12 -3.773 11.373 0.167
95 HG2 GLU 12 1HG GLU 12 -2.957 11.544 2.643
96 HG3 GLU 12 2HG GLU 12 -4.451 12.407 2.947
97 H GLY 13 H GLY 13 -1.453 15.397 1.027
98 HA2 GLY 13 1HA GLY 13 -1.804 17.455 1.899
99 HA3 GLY 13 2HA GLY 13 -3.519 17.112 2.016
100 H GLY 14 H GLY 14 -4.028 15.255 3.764
101 HA2 GLY 14 1HA GLY 14 -3.167 16.315 6.270
102 HA3 GLY 14 2HA GLY 14 -4.224 14.944 5.993
103 H GLY 15 H GLY 15 -3.139 12.850 5.213
104 HA2 GLY 15 1HA GLY 15 -0.725 11.985 5.043
105 HA3 GLY 15 2HA GLY 15 -0.623 12.519 6.709
106 H GLY 16 H GLY 16 -0.687 9.755 5.220
107 HA2 GLY 16 1HA GLY 16 -1.282 7.674 5.853
108 HA3 GLY 16 2HA GLY 16 -2.007 8.340 7.302
109 H SER 17 H SER 17 -3.182 6.189 5.841
110 HA SER 17 HA SER 17 -5.179 7.269 4.137
111 HG SER 17 HG SER 17 -6.293 4.569 3.061
112 HB2 SER 17 1HB SER 17 -4.318 5.015 3.738
113 HB3 SER 17 2HB SER 17 -4.774 4.502 5.350
114 H ALA 18 H ALA 18 -7.421 7.547 4.600
115 HA ALA 18 HA ALA 18 -7.987 8.002 7.381
116 HB1 ALA 18 3HB ALA 18 -10.263 8.254 5.602
117 HB2 ALA 18 1HB ALA 18 -9.389 9.519 6.499
118 HB3 ALA 18 2HB ALA 18 -8.831 9.028 4.882
119 H ALA 19 H ALA 19 -8.679 5.589 4.854
120 HA ALA 19 HA ALA 19 -10.843 4.353 6.143
121 HB1 ALA 19 3HB ALA 19 -10.735 2.893 4.378
122 HB2 ALA 19 1HB ALA 19 -9.692 4.170 3.706
123 HB3 ALA 19 2HB ALA 19 -8.964 2.738 4.473
124 H GLU 20 H GLU 20 -7.269 3.821 6.243
125 HA GLU 20 HA GLU 20 -7.523 1.621 7.988
126 HE2 GLU 20 HE2 GLU 20 -5.495 -1.255 6.799
127 HB2 GLU 20 1HB GLU 20 -5.268 3.283 6.890
128 HB3 GLU 20 2HB GLU 20 -4.939 2.306 8.308
129 HG2 GLU 20 1HG GLU 20 -6.418 0.629 6.531
130 HG3 GLU 20 2HG GLU 20 -5.240 1.461 5.535
131 H ALA 21 H ALA 21 -7.269 5.139 8.344
132 HA ALA 21 HA ALA 21 -6.297 5.364 10.898
133 HB1 ALA 21 3HB ALA 21 -6.582 7.418 9.938
134 HB2 ALA 21 1HB ALA 21 -8.067 6.933 9.085
135 HB3 ALA 21 2HB ALA 21 -8.132 7.363 10.811
136 H TYR 22 H TYR 22 -9.837 5.481 10.069
137 HA TYR 22 HA TYR 22 -10.691 5.052 12.673
138 HD1 TYR 22 HD1 TYR 22 -11.804 4.891 8.170
139 HD2 TYR 22 HD2 TYR 22 -12.901 2.336 11.422
140 HE1 TYR 22 HE1 TYR 22 -12.400 3.045 6.528
141 HE2 TYR 22 HE2 TYR 22 -13.493 0.498 9.768
142 HH TYR 22 HH TYR 22 -12.452 0.312 6.834
143 HB2 TYR 22 1HB TYR 22 -12.803 4.983 11.557
144 HB3 TYR 22 2HB TYR 22 -11.817 5.759 10.334
145 H ALA 23 H ALA 23 -9.987 2.730 10.002
146 HA ALA 23 HA ALA 23 -11.056 0.453 11.021
147 HB1 ALA 23 3HB ALA 23 -8.364 0.805 9.640
148 HB2 ALA 23 1HB ALA 23 -9.291 -0.711 9.743
149 HB3 ALA 23 2HB ALA 23 -9.943 0.671 8.829
150 H LYS 24 H LYS 24 -8.056 2.156 12.018
151 HA LYS 24 HA LYS 24 -7.139 0.096 13.706
152 HB2 LYS 24 1HB LYS 24 -6.055 2.354 12.690
153 HB3 LYS 24 2HB LYS 24 -6.430 2.920 14.305
154 HG2 LYS 24 1HG LYS 24 -5.263 0.838 15.219
155 HG3 LYS 24 2HG LYS 24 -4.760 0.469 13.581
156 HD2 LYS 24 1HD LYS 24 -3.162 2.121 13.556
157 HD3 LYS 24 2HD LYS 24 -4.183 3.266 14.402
158 HE2 LYS 24 1HE LYS 24 -2.752 2.893 16.155
159 HE3 LYS 24 2HE LYS 24 -3.732 1.465 16.421
160 HZ1 LYS 24 2HZ LYS 24 -1.264 1.063 16.233
161 HZ3 LYS 24 1HZ LYS 24 -1.355 1.426 14.648
162 H ARG 25 H ARG 25 -9.083 3.097 14.277
163 HA ARG 25 HA ARG 25 -9.277 2.792 16.991
164 HE ARG 25 HE ARG 25 -11.698 6.198 17.587
165 HB2 ARG 25 1HB ARG 25 -11.035 4.107 14.893
166 HB3 ARG 25 2HB ARG 25 -11.562 4.083 16.565
167 HG2 ARG 25 1HG ARG 25 -9.495 5.225 17.282
168 HG3 ARG 25 2HG ARG 25 -8.843 5.140 15.658
169 HD2 ARG 25 1HD ARG 25 -9.712 7.346 15.780
170 HD3 ARG 25 2HD ARG 25 -10.963 6.471 14.921
171 HH11 ARG 25 2HH2 ARG 25 -11.001 8.971 15.493
172 HH12 ARG 25 1HH2 ARG 25 -12.065 10.039 16.345
173 HH21 ARG 25 1HH1 ARG 25 -13.289 9.217 18.234
174 H ILE 26 H ILE 26 -11.057 1.261 14.302
175 HA ILE 26 HA ILE 26 -13.281 0.344 15.646
176 HB ILE 26 HB ILE 26 -11.704 -0.875 13.380
177 HG12 ILE 26 1HG1 ILE 26 -12.788 1.503 13.255
178 HG13 ILE 26 2HG1 ILE 26 -12.962 0.377 11.923
179 HG21 ILE 26 1HG2 ILE 26 -14.087 -1.833 14.819
180 HG22 ILE 26 2HG2 ILE 26 -14.271 -1.745 13.050
181 HG23 ILE 26 3HG2 ILE 26 -12.948 -2.701 13.761
182 HD11 ILE 26 3HD1 ILE 26 -15.210 -0.084 12.410
183 HD12 ILE 26 1HD1 ILE 26 -15.032 0.354 14.126
184 HD13 ILE 26 2HD1 ILE 26 -15.089 1.628 12.884
185 H ALA 27 H ALA 27 -10.122 -1.380 15.122
186 HA ALA 27 HA ALA 27 -10.677 -3.619 16.584
187 HB1 ALA 27 3HB ALA 27 -7.960 -2.815 17.067
188 HB2 ALA 27 1HB ALA 27 -8.574 -4.023 15.913
189 HB3 ALA 27 2HB ALA 27 -8.413 -2.321 15.418
190 H GLU 28 H GLU 28 -9.416 -0.428 17.738
191 HA GLU 28 HA GLU 28 -9.017 -1.142 20.342
192 HE2 GLU 28 HE2 GLU 28 -7.681 3.668 19.789
193 HB2 GLU 28 1HB GLU 28 -9.840 1.497 19.075
194 HB3 GLU 28 2HB GLU 28 -9.486 1.365 20.786
195 HG2 GLU 28 1HG GLU 28 -7.316 0.049 19.598
196 HG3 GLU 28 2HG GLU 28 -7.635 1.362 18.482
197 H ALA 29 H ALA 29 -11.965 0.471 18.935
198 HA ALA 29 HA ALA 29 -13.556 0.592 21.083
199 HB1 ALA 29 3HB ALA 29 -14.510 -0.478 18.405
200 HB2 ALA 29 1HB ALA 29 -15.400 0.543 19.560
201 HB3 ALA 29 2HB ALA 29 -14.026 1.217 18.652
202 H MET 30 H MET 30 -13.369 -2.324 18.912
203 HA MET 30 HA MET 30 -14.985 -3.959 20.271
204 HB2 MET 30 1HB MET 30 -12.261 -4.614 19.015
205 HB3 MET 30 2HB MET 30 -13.473 -5.823 19.392
206 HG2 MET 30 1HG MET 30 -14.936 -3.946 17.923
207 HG3 MET 30 2HG MET 30 -13.372 -3.905 17.135
208 HE1 MET 30 3HE MET 30 -16.492 -6.637 16.001
209 HE2 MET 30 1HE MET 30 -16.672 -5.879 17.601
210 HE3 MET 30 2HE MET 30 -16.304 -4.876 16.178
211 H ALA 31 H ALA 31 -11.391 -3.752 20.839
212 HA ALA 31 HA ALA 31 -11.182 -5.465 22.925
213 HB1 ALA 31 3HB ALA 31 -9.269 -4.394 21.884
214 HB2 ALA 31 1HB ALA 31 -9.797 -2.795 22.459
215 HB3 ALA 31 2HB ALA 31 -9.246 -4.023 23.624
216 H LYS 32 H LYS 32 -11.672 -1.874 23.285
217 HA LYS 32 HA LYS 32 -13.211 -2.494 25.705
218 HB2 LYS 32 1HB LYS 32 -10.685 -1.389 25.739
219 HB3 LYS 32 2HB LYS 32 -11.707 0.034 25.770
220 HG2 LYS 32 1HG LYS 32 -13.000 -1.664 27.570
221 HG3 LYS 32 2HG LYS 32 -11.312 -2.047 27.844
222 HD2 LYS 32 1HD LYS 32 -10.983 -0.095 28.954
223 HD3 LYS 32 2HD LYS 32 -11.595 0.835 27.600
224 HE2 LYS 32 1HE LYS 32 -13.698 1.048 28.517
225 HE3 LYS 32 2HE LYS 32 -13.704 -0.584 29.154
226 HZ1 LYS 32 2HZ LYS 32 -13.170 0.279 31.140
227 HZ3 LYS 32 1HZ LYS 32 -13.092 1.788 30.534
228 H GLY 33 H GLY 33 -15.276 -1.863 25.431
229 HA2 GLY 33 1HA GLY 33 -15.786 0.715 24.145
230 HA3 GLY 33 2HA GLY 33 -16.491 -0.709 23.407
Start of MODEL 10
1 HA ARG 1 HA ARG 1 -7.160 9.910 -2.363
2 HE ARG 1 HE ARG 1 -8.417 7.582 -5.099
3 H1 ARG 1 1H ARG 1 -6.043 10.646 -4.377
4 HB2 ARG 1 1HB ARG 1 -4.417 8.775 -3.050
5 HB3 ARG 1 2HB ARG 1 -5.416 8.022 -1.822
6 HG2 ARG 1 1HG ARG 1 -6.561 8.626 -4.570
7 HG3 ARG 1 2HG ARG 1 -5.600 7.184 -4.311
8 HD2 ARG 1 1HD ARG 1 -7.228 6.157 -3.028
9 HD3 ARG 1 2HD ARG 1 -7.726 7.653 -2.265
10 HH11 ARG 1 2HH2 ARG 1 -9.476 6.559 -1.876
11 HH12 ARG 1 1HH2 ARG 1 -11.146 6.451 -2.324
12 HH21 ARG 1 1HH1 ARG 1 -11.795 6.972 -4.571
13 H GLY 2 H GLY 2 -6.447 12.319 -1.318
14 HA2 GLY 2 1HA GLY 2 -5.609 13.421 0.462
15 HA3 GLY 2 2HA GLY 2 -5.966 11.940 1.328
16 H LYS 3 H LYS 3 -3.530 12.467 -1.296
17 HA LYS 3 HA LYS 3 -1.549 11.055 0.095
18 HB2 LYS 3 1HB LYS 3 -0.128 11.612 -1.727
19 HB3 LYS 3 2HB LYS 3 -1.730 11.354 -2.389
20 HG2 LYS 3 1HG LYS 3 -1.491 14.141 -1.632
21 HG3 LYS 3 2HG LYS 3 -0.089 13.706 -2.589
22 HD2 LYS 3 1HD LYS 3 -1.314 13.506 -4.506
23 HD3 LYS 3 2HD LYS 3 -2.577 12.588 -3.710
24 HE2 LYS 3 1HE LYS 3 -3.696 14.575 -2.941
25 HE3 LYS 3 2HE LYS 3 -2.303 15.587 -3.268
26 HZ1 LYS 3 2HZ LYS 3 -3.740 14.156 -5.432
27 HZ3 LYS 3 1HZ LYS 3 -2.659 15.361 -5.603
28 H TRP 4 H TRP 4 0.347 11.772 1.187
29 HA TRP 4 HA TRP 4 0.074 14.510 2.222
30 HD1 TRP 4 HD1 TRP 4 -0.523 10.508 2.736
31 HE1 TRP 4 HE1 TRP 4 0.852 8.289 3.120
32 HE3 TRP 4 HE3 TRP 4 3.545 12.762 4.794
33 HZ2 TRP 4 HZ2 TRP 4 3.429 7.737 4.215
34 HZ3 TRP 4 HZ3 TRP 4 5.447 11.310 5.493
35 HH2 TRP 4 HH2 TRP 4 5.433 8.880 5.233
36 HB2 TRP 4 1HB TRP 4 1.437 13.589 4.151
37 HB3 TRP 4 2HB TRP 4 -0.241 13.098 4.037
38 H THR 5 H THR 5 2.600 14.908 3.251
39 HA THR 5 HA THR 5 4.499 14.231 1.139
40 HB THR 5 HB THR 5 3.979 17.104 2.054
41 HG1 THR 5 HG1 THR 5 3.323 15.712 -0.439
42 HG21 THR 5 3HG2 THR 5 6.214 16.807 1.066
43 HG22 THR 5 1HG2 THR 5 5.533 15.837 -0.262
44 HG23 THR 5 2HG2 THR 5 5.163 17.574 -0.149
45 H TYR 6 H TYR 6 6.074 13.201 2.194
46 HA TYR 6 HA TYR 6 6.637 13.981 4.936
47 HD1 TYR 6 HD1 TYR 6 6.568 12.570 6.546
48 HD2 TYR 6 HD2 TYR 6 9.519 10.526 4.219
49 HE1 TYR 6 HE1 TYR 6 7.656 11.704 8.675
50 HE2 TYR 6 HE2 TYR 6 10.597 9.666 6.355
51 HH TYR 6 HH TYR 6 10.723 10.046 8.584
52 HB2 TYR 6 1HB TYR 6 6.396 11.579 3.814
53 HB3 TYR 6 2HB TYR 6 7.981 11.889 3.134
54 H ASN 7 H ASN 7 8.610 13.284 1.956
55 HA ASN 7 HA ASN 7 10.341 15.454 2.844
56 HB2 ASN 7 1HB ASN 7 11.165 12.897 2.956
57 HB3 ASN 7 2HB ASN 7 11.426 13.122 1.237
58 HD21 ASN 7 2HD2 ASN 7 14.085 15.439 1.508
59 HD22 ASN 7 1HD2 ASN 7 12.774 14.876 0.526
60 H GLY 8 H GLY 8 8.300 16.127 1.169
61 HA2 GLY 8 1HA GLY 8 7.882 17.128 -0.803
62 HA3 GLY 8 2HA GLY 8 9.577 16.957 -1.215
63 H ILE 9 H ILE 9 7.624 14.122 -0.310
64 HA ILE 9 HA ILE 9 7.465 13.390 -3.144
65 HB ILE 9 HB ILE 9 9.158 12.001 -2.729
66 HG12 ILE 9 1HG1 ILE 9 8.472 9.779 -1.978
67 HG13 ILE 9 2HG1 ILE 9 7.028 10.441 -1.237
68 HG21 ILE 9 1HG2 ILE 9 8.503 12.423 0.169
69 HG22 ILE 9 2HG2 ILE 9 9.583 11.095 -0.318
70 HG23 ILE 9 3HG2 ILE 9 10.000 12.777 -0.726
71 HD11 ILE 9 3HD1 ILE 9 6.847 11.457 -3.813
72 HD12 ILE 9 1HD1 ILE 9 7.584 9.860 -4.084
73 HD13 ILE 9 2HD1 ILE 9 6.026 9.988 -3.234
74 H THR 10 H THR 10 5.419 12.921 -3.740
75 HA THR 10 HA THR 10 3.400 12.747 -1.695
76 HB THR 10 HB THR 10 3.610 13.140 -4.656
77 HG1 THR 10 HG1 THR 10 2.532 14.920 -3.868
78 HG21 THR 10 3HG2 THR 10 1.968 11.542 -5.065
79 HG22 THR 10 1HG2 THR 10 1.457 11.492 -3.360
80 HG23 THR 10 2HG2 THR 10 0.908 12.816 -4.415
81 H TYR 11 H TYR 11 2.997 10.943 -0.590
82 HA TYR 11 HA TYR 11 3.700 8.398 -1.781
83 HD1 TYR 11 HD1 TYR 11 5.359 10.277 -0.158
84 HD2 TYR 11 HD2 TYR 11 4.213 6.608 1.721
85 HE1 TYR 11 HE1 TYR 11 7.776 9.856 0.511
86 HE2 TYR 11 HE2 TYR 11 6.634 6.200 2.383
87 HH TYR 11 HH TYR 11 8.626 7.119 2.566
88 HB2 TYR 11 1HB TYR 11 2.823 9.588 0.883
89 HB3 TYR 11 2HB TYR 11 2.589 7.865 0.660
90 H GLU 12 H GLU 12 2.184 6.577 -1.857
91 HA GLU 12 HA GLU 12 -0.543 7.544 -2.237
92 HE2 GLU 12 HE2 GLU 12 0.098 2.698 -4.798
93 HB2 GLU 12 1HB GLU 12 -0.266 6.777 -4.352
94 HB3 GLU 12 2HB GLU 12 1.227 5.955 -3.945
95 HG2 GLU 12 1HG GLU 12 0.060 3.985 -3.181
96 HG3 GLU 12 2HG GLU 12 -1.481 4.819 -3.141
97 H GLY 13 H GLY 13 1.413 4.581 -1.443
98 HA2 GLY 13 1HA GLY 13 0.833 2.738 -0.248
99 HA3 GLY 13 2HA GLY 13 0.468 3.943 0.971
100 H GLY 14 H GLY 14 -1.117 2.845 -2.121
101 HA2 GLY 14 1HA GLY 14 -3.333 2.593 -2.570
102 HA3 GLY 14 2HA GLY 14 -3.207 1.432 -1.263
103 H GLY 15 H GLY 15 -3.423 5.050 -1.638
104 HA2 GLY 15 1HA GLY 15 -5.331 6.247 -0.908
105 HA3 GLY 15 2HA GLY 15 -5.641 5.017 0.301
106 H GLY 16 H GLY 16 -5.170 5.624 2.362
107 HA2 GLY 16 1HA GLY 16 -2.925 6.284 3.537
108 HA3 GLY 16 2HA GLY 16 -3.270 7.817 2.762
109 H SER 17 H SER 17 -3.280 8.434 5.193
110 HA SER 17 HA SER 17 -5.088 7.611 6.983
111 HG SER 17 HG SER 17 -2.413 9.526 6.617
112 HB2 SER 17 1HB SER 17 -5.066 10.447 7.227
113 HB3 SER 17 2HB SER 17 -4.075 9.292 8.096
114 H ALA 18 H ALA 18 -5.704 9.240 3.953
115 HA ALA 18 HA ALA 18 -8.047 10.593 4.478
116 HB1 ALA 18 3HB ALA 18 -8.232 9.345 1.914
117 HB2 ALA 18 1HB ALA 18 -7.716 11.005 2.297
118 HB3 ALA 18 2HB ALA 18 -6.513 9.696 2.217
119 H ALA 19 H ALA 19 -9.355 9.492 6.007
120 HA ALA 19 HA ALA 19 -11.116 8.242 6.534
121 HB1 ALA 19 3HB ALA 19 -12.442 7.254 4.881
122 HB2 ALA 19 1HB ALA 19 -11.555 8.490 3.956
123 HB3 ALA 19 2HB ALA 19 -11.039 6.788 3.890
124 H GLU 20 H GLU 20 -8.305 7.549 7.019
125 HA GLU 20 HA GLU 20 -8.733 4.699 7.397
126 HE2 GLU 20 HE2 GLU 20 -7.384 2.172 5.798
127 HB2 GLU 20 1HB GLU 20 -6.248 6.040 6.269
128 HB3 GLU 20 2HB GLU 20 -6.183 4.450 7.002
129 HG2 GLU 20 1HG GLU 20 -8.345 4.153 5.305
130 HG3 GLU 20 2HG GLU 20 -7.366 5.289 4.398
131 H ALA 21 H ALA 21 -6.899 7.685 8.274
132 HA ALA 21 HA ALA 21 -5.600 6.841 10.506
133 HB1 ALA 21 3HB ALA 21 -6.943 9.469 10.767
134 HB2 ALA 21 1HB ALA 21 -5.210 9.061 10.788
135 HB3 ALA 21 2HB ALA 21 -6.066 9.231 9.236
136 H TYR 22 H TYR 22 -8.852 8.475 10.586
137 HA TYR 22 HA TYR 22 -9.429 7.927 13.203
138 HD1 TYR 22 HD1 TYR 22 -11.206 8.617 8.977
139 HD2 TYR 22 HD2 TYR 22 -12.613 6.258 12.257
140 HE1 TYR 22 HE1 TYR 22 -12.646 7.253 7.387
141 HE2 TYR 22 HE2 TYR 22 -14.048 4.901 10.656
142 HH TYR 22 HH TYR 22 -14.732 5.910 7.554
143 HB2 TYR 22 1HB TYR 22 -11.581 8.676 12.497
144 HB3 TYR 22 2HB TYR 22 -10.605 9.224 11.150
145 H ALA 23 H ALA 23 -9.989 5.864 10.291
146 HA ALA 23 HA ALA 23 -11.538 3.914 11.427
147 HB1 ALA 23 3HB ALA 23 -9.864 4.286 9.084
148 HB2 ALA 23 1HB ALA 23 -9.722 2.618 9.690
149 HB3 ALA 23 2HB ALA 23 -11.322 3.283 9.280
150 H LYS 24 H LYS 24 -7.916 4.139 11.338
151 HA LYS 24 HA LYS 24 -7.345 1.797 12.625
152 HB2 LYS 24 1HB LYS 24 -5.962 4.093 11.786
153 HB3 LYS 24 2HB LYS 24 -5.592 3.945 13.492
154 HG2 LYS 24 1HG LYS 24 -5.086 1.459 13.050
155 HG3 LYS 24 2HG LYS 24 -5.211 1.817 11.339
156 HD2 LYS 24 1HD LYS 24 -3.430 3.604 11.640
157 HD3 LYS 24 2HD LYS 24 -3.251 3.091 13.306
158 HE2 LYS 24 1HE LYS 24 -1.687 1.631 12.512
159 HE3 LYS 24 2HE LYS 24 -3.048 0.669 11.969
160 HZ1 LYS 24 2HZ LYS 24 -2.420 2.761 10.113
161 HZ3 LYS 24 1HZ LYS 24 -2.562 1.162 9.837
162 H ARG 25 H ARG 25 -8.417 4.941 13.992
163 HA ARG 25 HA ARG 25 -7.996 4.127 16.640
164 HE ARG 25 HE ARG 25 -8.497 8.134 18.266
165 HB2 ARG 25 1HB ARG 25 -9.637 6.352 15.353
166 HB3 ARG 25 2HB ARG 25 -9.614 6.129 17.091
167 HG2 ARG 25 1HG ARG 25 -7.018 6.333 15.524
168 HG3 ARG 25 2HG ARG 25 -7.882 7.778 16.009
169 HD2 ARG 25 1HD ARG 25 -7.345 5.655 18.097
170 HD3 ARG 25 2HD ARG 25 -6.021 6.690 17.598
171 HH11 ARG 25 2HH2 ARG 25 -5.417 6.884 19.492
172 HH12 ARG 25 1HH2 ARG 25 -5.377 7.961 20.848
173 HH21 ARG 25 1HH1 ARG 25 -7.168 9.522 21.159
174 H ILE 26 H ILE 26 -10.727 3.995 14.321
175 HA ILE 26 HA ILE 26 -12.797 3.465 16.056
176 HB ILE 26 HB ILE 26 -12.281 2.501 13.244
177 HG12 ILE 26 1HG1 ILE 26 -12.419 5.022 13.845
178 HG13 ILE 26 2HG1 ILE 26 -13.338 4.409 12.485
179 HG21 ILE 26 1HG2 ILE 26 -14.901 2.504 14.767
180 HG22 ILE 26 2HG2 ILE 26 -14.644 2.011 13.076
181 HG23 ILE 26 3HG2 ILE 26 -13.925 1.062 14.399
182 HD11 ILE 26 3HD1 ILE 26 -14.620 4.458 15.226
183 HD12 ILE 26 1HD1 ILE 26 -14.522 5.954 14.267
184 HD13 ILE 26 2HD1 ILE 26 -15.391 4.540 13.624
185 H ALA 27 H ALA 27 -10.761 1.031 14.276
186 HA ALA 27 HA ALA 27 -11.753 -1.224 15.405
187 HB1 ALA 27 3HB ALA 27 -8.777 -0.922 15.056
188 HB2 ALA 27 1HB ALA 27 -9.845 -2.260 14.569
189 HB3 ALA 27 2HB ALA 27 -9.842 -0.741 13.642
190 H GLU 28 H GLU 28 -9.054 0.832 16.705
191 HA GLU 28 HA GLU 28 -8.512 -0.631 18.914
192 HE2 GLU 28 HE2 GLU 28 -4.582 2.187 17.485
193 HB2 GLU 28 1HB GLU 28 -8.498 2.391 18.529
194 HB3 GLU 28 2HB GLU 28 -7.808 1.608 19.936
195 HG2 GLU 28 1HG GLU 28 -6.733 0.162 17.768
196 HG3 GLU 28 2HG GLU 28 -6.729 1.821 17.206
197 H ALA 29 H ALA 29 -10.743 2.250 18.819
198 HA ALA 29 HA ALA 29 -11.715 2.134 21.336
199 HB1 ALA 29 3HB ALA 29 -13.588 2.588 19.013
200 HB2 ALA 29 1HB ALA 29 -13.453 3.483 20.546
201 HB3 ALA 29 2HB ALA 29 -12.218 3.692 19.281
202 H MET 30 H MET 30 -13.218 0.451 18.478
203 HA MET 30 HA MET 30 -15.172 -0.859 19.716
204 HB2 MET 30 1HB MET 30 -13.222 -1.882 17.582
205 HB3 MET 30 2HB MET 30 -14.713 -2.715 17.973
206 HG2 MET 30 1HG MET 30 -15.467 0.000 17.587
207 HG3 MET 30 2HG MET 30 -14.313 -0.336 16.312
208 HE1 MET 30 3HE MET 30 -15.282 -3.294 14.625
209 HE2 MET 30 1HE MET 30 -15.786 -1.802 13.794
210 HE3 MET 30 2HE MET 30 -14.297 -1.819 14.769
211 H ALA 31 H ALA 31 -11.769 -2.105 19.395
212 HA ALA 31 HA ALA 31 -11.955 -4.483 20.611
213 HB1 ALA 31 3HB ALA 31 -9.652 -4.304 20.995
214 HB2 ALA 31 1HB ALA 31 -9.921 -3.093 19.719
215 HB3 ALA 31 2HB ALA 31 -9.754 -2.577 21.414
216 H LYS 32 H LYS 32 -12.907 -5.184 22.450
217 HA LYS 32 HA LYS 32 -13.281 -3.248 24.593
218 HB2 LYS 32 1HB LYS 32 -14.607 -5.806 23.769
219 HB3 LYS 32 2HB LYS 32 -14.684 -5.326 25.452
220 HG2 LYS 32 1HG LYS 32 -15.334 -2.943 24.362
221 HG3 LYS 32 2HG LYS 32 -15.845 -3.960 23.030
222 HD2 LYS 32 1HD LYS 32 -17.709 -4.614 24.149
223 HD3 LYS 32 2HD LYS 32 -16.764 -5.126 25.534
224 HE2 LYS 32 1HE LYS 32 -17.163 -3.182 26.695
225 HE3 LYS 32 2HE LYS 32 -16.984 -2.174 25.273
226 HZ1 LYS 32 2HZ LYS 32 -19.312 -3.680 24.925
227 HZ3 LYS 32 1HZ LYS 32 -19.211 -2.074 25.175
228 H GLY 33 H GLY 33 -12.316 -6.744 24.282
229 HA2 GLY 33 1HA GLY 33 -10.170 -7.431 25.109
230 HA3 GLY 33 2HA GLY 33 -10.299 -6.232 26.381
Start of MODEL 11
1 HA ARG 1 HA ARG 1 -2.789 5.477 1.264
2 HE ARG 1 HE ARG 1 -2.423 0.294 2.569
3 H1 ARG 1 1H ARG 1 -5.339 5.308 2.099
4 HB2 ARG 1 1HB ARG 1 -5.133 3.752 0.422
5 HB3 ARG 1 2HB ARG 1 -3.620 3.585 -0.446
6 HG2 ARG 1 1HG ARG 1 -2.798 3.594 2.231
7 HG3 ARG 1 2HG ARG 1 -4.317 2.723 2.297
8 HD2 ARG 1 1HD ARG 1 -3.557 1.085 0.672
9 HD3 ARG 1 2HD ARG 1 -2.157 2.052 0.249
10 HH11 ARG 1 2HH2 ARG 1 -0.716 3.127 1.299
11 HH12 ARG 1 1HH2 ARG 1 0.648 2.930 2.348
12 HH21 ARG 1 1HH1 ARG 1 0.681 1.105 3.900
13 H GLY 2 H GLY 2 -1.759 6.597 -0.366
14 HA2 GLY 2 1HA GLY 2 -2.193 6.715 -2.970
15 HA3 GLY 2 2HA GLY 2 -3.394 7.868 -2.423
16 H LYS 3 H LYS 3 -0.077 7.374 -3.215
17 HA LYS 3 HA LYS 3 1.156 9.284 -1.606
18 HB2 LYS 3 1HB LYS 3 2.888 9.281 -3.438
19 HB3 LYS 3 2HB LYS 3 2.506 7.715 -2.752
20 HG2 LYS 3 1HG LYS 3 0.764 8.414 -5.041
21 HG3 LYS 3 2HG LYS 3 2.461 8.363 -5.473
22 HD2 LYS 3 1HD LYS 3 2.305 6.084 -3.962
23 HD3 LYS 3 2HD LYS 3 0.662 6.146 -4.570
24 HE2 LYS 3 1HE LYS 3 1.576 6.378 -6.916
25 HE3 LYS 3 2HE LYS 3 3.199 6.215 -6.275
26 HZ1 LYS 3 2HZ LYS 3 2.632 4.007 -5.471
27 HZ3 LYS 3 1HZ LYS 3 2.262 4.080 -7.055
28 H TRP 4 H TRP 4 2.022 11.441 -2.336
29 HA TRP 4 HA TRP 4 0.218 12.748 -4.236
30 HD1 TRP 4 HD1 TRP 4 0.118 11.522 -0.359
31 HE1 TRP 4 HE1 TRP 4 1.380 11.939 1.921
32 HE3 TRP 4 HE3 TRP 4 1.749 16.198 -1.512
33 HZ2 TRP 4 HZ2 TRP 4 2.885 14.129 2.962
34 HZ3 TRP 4 HZ3 TRP 4 3.109 17.407 0.192
35 HH2 TRP 4 HH2 TRP 4 3.681 16.446 2.365
36 HB2 TRP 4 1HB TRP 4 0.242 14.722 -2.598
37 HB3 TRP 4 2HB TRP 4 -0.860 13.391 -2.310
38 H THR 5 H THR 5 1.216 14.613 -5.267
39 HA THR 5 HA THR 5 4.143 14.633 -4.933
40 HB THR 5 HB THR 5 2.535 15.389 -7.419
41 HG1 THR 5 HG1 THR 5 3.884 12.892 -6.680
42 HG21 THR 5 3HG2 THR 5 5.313 15.502 -6.767
43 HG22 THR 5 1HG2 THR 5 5.108 14.054 -7.783
44 HG23 THR 5 2HG2 THR 5 4.589 15.646 -8.387
45 H TYR 6 H TYR 6 4.488 16.234 -3.453
46 HA TYR 6 HA TYR 6 3.210 18.813 -4.042
47 HD1 TYR 6 HD1 TYR 6 1.444 18.018 -0.726
48 HD2 TYR 6 HD2 TYR 6 4.341 20.875 -2.049
49 HE1 TYR 6 HE1 TYR 6 0.026 19.905 0.219
50 HE2 TYR 6 HE2 TYR 6 2.914 22.752 -1.099
51 HH TYR 6 HH TYR 6 0.428 23.055 -0.622
52 HB2 TYR 6 1HB TYR 6 3.381 17.252 -1.737
53 HB3 TYR 6 2HB TYR 6 4.816 18.241 -1.547
54 H ASN 7 H ASN 7 4.583 19.746 -5.571
55 HA ASN 7 HA ASN 7 6.462 20.430 -6.484
56 HB2 ASN 7 1HB ASN 7 5.832 22.100 -4.567
57 HB3 ASN 7 2HB ASN 7 7.182 21.415 -3.684
58 HD21 ASN 7 2HD2 ASN 7 7.704 23.942 -6.880
59 HD22 ASN 7 1HD2 ASN 7 6.164 23.285 -6.434
60 H GLY 8 H GLY 8 6.955 17.807 -6.140
61 HA2 GLY 8 1HA GLY 8 9.739 17.612 -5.710
62 HA3 GLY 8 2HA GLY 8 8.889 16.984 -4.312
63 H ILE 9 H ILE 9 8.578 14.808 -4.374
64 HA ILE 9 HA ILE 9 7.932 13.642 -6.989
65 HB ILE 9 HB ILE 9 9.256 11.696 -5.445
66 HG12 ILE 9 1HG1 ILE 9 11.536 12.834 -5.301
67 HG13 ILE 9 2HG1 ILE 9 10.686 14.361 -5.424
68 HG21 ILE 9 1HG2 ILE 9 10.646 13.089 -7.688
69 HG22 ILE 9 2HG2 ILE 9 10.432 11.351 -7.367
70 HG23 ILE 9 3HG2 ILE 9 9.081 12.309 -8.021
71 HD11 ILE 9 3HD1 ILE 9 9.230 12.946 -3.475
72 HD12 ILE 9 1HD1 ILE 9 10.931 12.556 -3.128
73 HD13 ILE 9 2HD1 ILE 9 10.399 14.254 -3.176
74 H THR 10 H THR 10 7.353 11.058 -6.203
75 HA THR 10 HA THR 10 4.803 11.409 -5.033
76 HB THR 10 HB THR 10 6.444 9.309 -6.310
77 HG1 THR 10 HG1 THR 10 3.629 9.983 -5.836
78 HG21 THR 10 3HG2 THR 10 4.675 7.585 -5.297
79 HG22 THR 10 1HG2 THR 10 6.213 7.872 -4.448
80 HG23 THR 10 2HG2 THR 10 4.726 8.677 -3.893
81 H TYR 11 H TYR 11 4.293 11.734 -2.970
82 HA TYR 11 HA TYR 11 6.233 10.885 -0.957
83 HD1 TYR 11 HD1 TYR 11 6.804 12.698 -2.375
84 HD2 TYR 11 HD2 TYR 11 4.955 14.645 0.956
85 HE1 TYR 11 HE1 TYR 11 8.560 14.535 -2.465
86 HE2 TYR 11 HE2 TYR 11 6.717 16.475 0.855
87 HH TYR 11 HH TYR 11 8.381 17.241 -1.535
88 HB2 TYR 11 1HB TYR 11 3.845 12.785 -1.208
89 HB3 TYR 11 2HB TYR 11 4.406 12.330 0.388
90 H GLU 12 H GLU 12 5.394 9.917 1.091
91 HA GLU 12 HA GLU 12 3.226 8.094 0.422
92 HE2 GLU 12 HE2 GLU 12 6.774 4.565 -0.400
93 HB2 GLU 12 1HB GLU 12 5.523 7.871 2.410
94 HB3 GLU 12 2HB GLU 12 4.197 6.727 2.359
95 HG2 GLU 12 1HG GLU 12 4.724 6.293 -0.081
96 HG3 GLU 12 2HG GLU 12 6.111 7.354 0.062
97 H GLY 13 H GLY 13 1.788 7.426 2.324
98 HA2 GLY 13 1HA GLY 13 1.080 9.847 3.828
99 HA3 GLY 13 2HA GLY 13 0.047 8.471 3.491
100 H GLY 14 H GLY 14 1.388 6.248 4.302
101 HA2 GLY 14 1HA GLY 14 2.702 5.397 6.101
102 HA3 GLY 14 2HA GLY 14 2.281 6.802 7.060
103 H GLY 15 H GLY 15 0.814 3.938 5.393
104 HA2 GLY 15 1HA GLY 15 -0.952 2.652 5.919
105 HA3 GLY 15 2HA GLY 15 -0.565 2.990 7.594
106 H GLY 16 H GLY 16 -2.036 4.706 4.738
107 HA2 GLY 16 1HA GLY 16 -3.983 5.828 4.553
108 HA3 GLY 16 2HA GLY 16 -4.501 5.145 6.081
109 H SER 17 H SER 17 -4.772 6.545 7.765
110 HA SER 17 HA SER 17 -3.243 9.025 7.607
111 HG SER 17 HG SER 17 -5.896 10.474 6.724
112 HB2 SER 17 1HB SER 17 -6.102 8.605 7.727
113 HB3 SER 17 2HB SER 17 -5.599 9.407 9.202
114 H ALA 18 H ALA 18 -2.578 9.956 9.693
115 HA ALA 18 HA ALA 18 -1.660 8.053 11.501
116 HB1 ALA 18 3HB ALA 18 -2.089 11.050 11.834
117 HB2 ALA 18 1HB ALA 18 -1.057 10.030 12.864
118 HB3 ALA 18 2HB ALA 18 -0.643 10.269 11.149
119 H ALA 19 H ALA 19 -4.773 9.630 11.141
120 HA ALA 19 HA ALA 19 -5.549 9.143 13.873
121 HB1 ALA 19 3HB ALA 19 -7.841 9.818 12.702
122 HB2 ALA 19 1HB ALA 19 -6.593 11.039 13.049
123 HB3 ALA 19 2HB ALA 19 -6.752 10.370 11.407
124 H GLU 20 H GLU 20 -6.270 7.827 10.576
125 HA GLU 20 HA GLU 20 -8.162 6.041 11.178
126 HE2 GLU 20 HE2 GLU 20 -8.968 4.245 7.198
127 HB2 GLU 20 1HB GLU 20 -5.780 5.753 9.304
128 HB3 GLU 20 2HB GLU 20 -7.097 4.597 9.335
129 HG2 GLU 20 1HG GLU 20 -7.911 7.472 9.155
130 HG3 GLU 20 2HG GLU 20 -7.071 6.838 7.754
131 H ALA 21 H ALA 21 -4.785 5.984 12.193
132 HA ALA 21 HA ALA 21 -4.335 3.337 12.669
133 HB1 ALA 21 3HB ALA 21 -2.463 4.349 13.387
134 HB2 ALA 21 1HB ALA 21 -3.312 5.907 13.533
135 HB3 ALA 21 2HB ALA 21 -3.313 4.761 14.895
136 H TYR 22 H TYR 22 -5.477 5.633 15.248
137 HA TYR 22 HA TYR 22 -6.471 3.452 16.797
138 HD1 TYR 22 HD1 TYR 22 -5.820 8.011 16.399
139 HD2 TYR 22 HD2 TYR 22 -9.228 5.802 17.745
140 HE1 TYR 22 HE1 TYR 22 -7.311 10.018 15.940
141 HE2 TYR 22 HE2 TYR 22 -10.708 7.816 17.281
142 HH TYR 22 HH TYR 22 -10.492 9.858 15.602
143 HB2 TYR 22 1HB TYR 22 -6.744 5.219 18.385
144 HB3 TYR 22 2HB TYR 22 -5.503 5.899 17.352
145 H ALA 23 H ALA 23 -7.909 6.077 14.771
146 HA ALA 23 HA ALA 23 -10.514 5.904 15.355
147 HB1 ALA 23 3HB ALA 23 -10.335 7.352 13.634
148 HB2 ALA 23 1HB ALA 23 -8.886 6.536 12.998
149 HB3 ALA 23 2HB ALA 23 -10.506 5.938 12.566
150 H LYS 24 H LYS 24 -8.504 3.402 13.846
151 HA LYS 24 HA LYS 24 -10.665 1.856 12.869
152 HB2 LYS 24 1HB LYS 24 -8.379 1.716 11.973
153 HB3 LYS 24 2HB LYS 24 -7.799 1.091 13.503
154 HG2 LYS 24 1HG LYS 24 -8.193 -0.948 12.520
155 HG3 LYS 24 2HG LYS 24 -9.834 -0.670 13.069
156 HD2 LYS 24 1HD LYS 24 -10.606 -0.077 10.932
157 HD3 LYS 24 2HD LYS 24 -9.032 0.477 10.396
158 HE2 LYS 24 1HE LYS 24 -9.438 -2.457 11.045
159 HE3 LYS 24 2HE LYS 24 -9.994 -1.829 9.506
160 HZ1 LYS 24 2HZ LYS 24 -7.286 -2.261 10.397
161 HZ3 LYS 24 1HZ LYS 24 -7.488 -0.812 9.680
162 H ARG 25 H ARG 25 -8.472 1.439 15.742
163 HA ARG 25 HA ARG 25 -9.724 -0.684 16.819
164 HE ARG 25 HE ARG 25 -7.983 0.370 20.663
165 HB2 ARG 25 1HB ARG 25 -8.531 -0.193 18.796
166 HB3 ARG 25 2HB ARG 25 -7.618 0.702 17.597
167 HG2 ARG 25 1HG ARG 25 -7.908 2.434 19.087
168 HG3 ARG 25 2HG ARG 25 -9.429 2.621 18.237
169 HD2 ARG 25 1HD ARG 25 -9.840 2.602 20.665
170 HD3 ARG 25 2HD ARG 25 -10.565 1.181 19.939
171 HH11 ARG 25 2HH2 ARG 25 -10.790 1.695 22.373
172 HH12 ARG 25 1HH2 ARG 25 -10.406 0.909 23.868
173 HH21 ARG 25 1HH1 ARG 25 -8.454 -0.475 23.999
174 H ILE 26 H ILE 26 -10.800 2.683 16.677
175 HA ILE 26 HA ILE 26 -12.622 2.630 18.803
176 HB ILE 26 HB ILE 26 -12.618 4.258 16.258
177 HG12 ILE 26 1HG1 ILE 26 -10.549 4.307 17.780
178 HG13 ILE 26 2HG1 ILE 26 -11.279 5.834 17.327
179 HG21 ILE 26 1HG2 ILE 26 -14.587 5.037 16.926
180 HG22 ILE 26 2HG2 ILE 26 -14.508 4.113 18.445
181 HG23 ILE 26 3HG2 ILE 26 -13.766 5.728 18.346
182 HD11 ILE 26 3HD1 ILE 26 -12.168 6.215 19.461
183 HD12 ILE 26 1HD1 ILE 26 -12.218 4.481 19.859
184 HD13 ILE 26 2HD1 ILE 26 -10.665 5.350 19.862
185 H ALA 27 H ALA 27 -13.198 2.257 15.229
186 HA ALA 27 HA ALA 27 -15.834 1.659 15.290
187 HB1 ALA 27 3HB ALA 27 -15.473 0.576 13.167
188 HB2 ALA 27 1HB ALA 27 -14.296 1.905 13.294
189 HB3 ALA 27 2HB ALA 27 -13.775 0.226 13.571
190 H GLU 28 H GLU 28 -13.075 -0.641 15.785
191 HA GLU 28 HA GLU 28 -14.496 -2.927 16.000
192 HE2 GLU 28 HE2 GLU 28 -9.851 -3.752 16.869
193 HB2 GLU 28 1HB GLU 28 -12.003 -1.995 17.470
194 HB3 GLU 28 2HB GLU 28 -12.617 -3.627 17.639
195 HG2 GLU 28 1HG GLU 28 -12.629 -3.209 14.857
196 HG3 GLU 28 2HG GLU 28 -11.166 -2.401 15.384
197 H ALA 29 H ALA 29 -13.515 -0.803 18.794
198 HA ALA 29 HA ALA 29 -14.858 -2.119 20.768
199 HB1 ALA 29 3HB ALA 29 -13.484 -0.415 21.518
200 HB2 ALA 29 1HB ALA 29 -14.032 0.726 20.266
201 HB3 ALA 29 2HB ALA 29 -15.071 0.377 21.669
202 H MET 30 H MET 30 -16.120 0.696 18.834
203 HA MET 30 HA MET 30 -18.561 0.910 19.817
204 HB2 MET 30 1HB MET 30 -17.669 0.876 16.885
205 HB3 MET 30 2HB MET 30 -19.262 1.427 17.365
206 HG2 MET 30 1HG MET 30 -17.729 2.895 19.100
207 HG3 MET 30 2HG MET 30 -16.597 2.736 17.771
208 HE1 MET 30 3HE MET 30 -17.740 4.920 15.097
209 HE2 MET 30 1HE MET 30 -16.612 5.185 16.448
210 HE3 MET 30 2HE MET 30 -16.700 3.591 15.661
211 H ALA 31 H ALA 31 -17.736 -1.398 17.123
212 HA ALA 31 HA ALA 31 -20.138 -2.571 16.759
213 HB1 ALA 31 3HB ALA 31 -18.814 -4.610 16.134
214 HB2 ALA 31 1HB ALA 31 -18.170 -3.104 15.435
215 HB3 ALA 31 2HB ALA 31 -17.374 -3.843 16.845
216 H LYS 32 H LYS 32 -17.630 -3.748 19.122
217 HA LYS 32 HA LYS 32 -19.871 -4.788 20.712
218 HB2 LYS 32 1HB LYS 32 -18.315 -6.626 21.405
219 HB3 LYS 32 2HB LYS 32 -18.825 -6.686 19.730
220 HG2 LYS 32 1HG LYS 32 -16.694 -5.624 19.015
221 HG3 LYS 32 2HG LYS 32 -16.186 -5.479 20.686
222 HD2 LYS 32 1HD LYS 32 -16.085 -7.898 20.955
223 HD3 LYS 32 2HD LYS 32 -16.875 -8.163 19.413
224 HE2 LYS 32 1HE LYS 32 -14.898 -6.996 18.289
225 HE3 LYS 32 2HE LYS 32 -14.101 -6.962 19.849
226 HZ1 LYS 32 2HZ LYS 32 -15.017 -9.444 18.494
227 HZ3 LYS 32 1HZ LYS 32 -14.222 -9.390 19.914
228 H GLY 33 H GLY 33 -20.096 -3.426 22.410
229 HA2 GLY 33 1HA GLY 33 -18.799 -3.157 24.594
230 HA3 GLY 33 2HA GLY 33 -17.642 -2.299 23.596
Start of MODEL 12
1 HA ARG 1 HA ARG 1 0.279 9.585 6.644
2 HE ARG 1 HE ARG 1 -4.453 9.889 9.141
3 H1 ARG 1 1H ARG 1 1.781 9.386 9.073
4 HB2 ARG 1 1HB ARG 1 -0.639 9.369 9.101
5 HB3 ARG 1 2HB ARG 1 -0.308 11.085 9.227
6 HG2 ARG 1 1HG ARG 1 -1.664 11.247 6.954
7 HG3 ARG 1 2HG ARG 1 -2.278 9.670 7.409
8 HD2 ARG 1 1HD ARG 1 -2.329 11.922 9.439
9 HD3 ARG 1 2HD ARG 1 -3.554 11.868 8.186
10 HH11 ARG 1 2HH2 ARG 1 -1.453 10.814 10.785
11 HH12 ARG 1 1HH2 ARG 1 -1.700 9.728 12.112
12 HH21 ARG 1 1HH1 ARG 1 -3.661 8.351 12.153
13 H GLY 2 H GLY 2 1.297 10.964 5.162
14 HA2 GLY 2 1HA GLY 2 1.067 13.642 5.204
15 HA3 GLY 2 2HA GLY 2 2.573 13.401 6.066
16 H LYS 3 H LYS 3 1.039 13.551 2.968
17 HA LYS 3 HA LYS 3 2.715 11.972 1.428
18 HB2 LYS 3 1HB LYS 3 1.865 13.189 -0.440
19 HB3 LYS 3 2HB LYS 3 0.562 13.016 0.718
20 HG2 LYS 3 1HG LYS 3 1.653 15.396 1.564
21 HG3 LYS 3 2HG LYS 3 2.020 15.478 -0.148
22 HD2 LYS 3 1HD LYS 3 -0.108 16.272 -0.380
23 HD3 LYS 3 2HD LYS 3 -0.601 14.599 -0.217
24 HE2 LYS 3 1HE LYS 3 -1.107 14.845 2.111
25 HE3 LYS 3 2HE LYS 3 -0.181 16.326 2.249
26 HZ1 LYS 3 2HZ LYS 3 -2.440 16.978 2.121
27 HZ3 LYS 3 1HZ LYS 3 -2.785 15.978 0.882
28 H TRP 4 H TRP 4 4.443 12.721 -0.111
29 HA TRP 4 HA TRP 4 5.962 14.984 0.951
30 HD1 TRP 4 HD1 TRP 4 5.252 11.235 2.185
31 HE1 TRP 4 HE1 TRP 4 5.467 8.738 1.358
32 HE3 TRP 4 HE3 TRP 4 9.058 12.090 -1.078
33 HZ2 TRP 4 HZ2 TRP 4 7.166 7.430 -0.525
34 HZ3 TRP 4 HZ3 TRP 4 9.937 10.149 -2.371
35 HH2 TRP 4 HH2 TRP 4 9.053 7.882 -2.136
36 HB2 TRP 4 1HB TRP 4 8.028 13.457 0.563
37 HB3 TRP 4 2HB TRP 4 7.146 13.397 2.076
38 H THR 5 H THR 5 7.887 15.389 -0.707
39 HA THR 5 HA THR 5 7.020 14.689 -3.419
40 HB THR 5 HB THR 5 7.787 17.519 -2.556
41 HG1 THR 5 HG1 THR 5 5.800 16.761 -1.510
42 HG21 THR 5 3HG2 THR 5 5.912 17.421 -4.705
43 HG22 THR 5 1HG2 THR 5 7.622 17.903 -4.804
44 HG23 THR 5 2HG2 THR 5 7.157 16.209 -5.093
45 H TYR 6 H TYR 6 8.681 13.298 -3.855
46 HA TYR 6 HA TYR 6 11.383 14.361 -3.414
47 HD1 TYR 6 HD1 TYR 6 12.120 11.586 -1.095
48 HD2 TYR 6 HD2 TYR 6 12.922 11.968 -5.280
49 HE1 TYR 6 HE1 TYR 6 14.547 10.941 -0.696
50 HE2 TYR 6 HE2 TYR 6 15.346 11.322 -4.867
51 HH TYR 6 HH TYR 6 16.912 11.576 -2.586
52 HB2 TYR 6 1HB TYR 6 10.359 12.050 -2.535
53 HB3 TYR 6 2HB TYR 6 10.500 11.531 -4.203
54 H ASN 7 H ASN 7 11.553 15.696 -5.279
55 HA ASN 7 HA ASN 7 11.636 16.197 -7.415
56 HB2 ASN 7 1HB ASN 7 13.064 13.499 -7.649
57 HB3 ASN 7 2HB ASN 7 13.329 14.906 -8.659
58 HD21 ASN 7 2HD2 ASN 7 16.036 14.674 -6.112
59 HD22 ASN 7 1HD2 ASN 7 15.386 13.658 -7.355
60 H GLY 8 H GLY 8 9.106 15.275 -7.109
61 HA2 GLY 8 1HA GLY 8 8.533 13.969 -9.608
62 HA3 GLY 8 2HA GLY 8 8.200 12.963 -8.212
63 H ILE 9 H ILE 9 6.248 13.192 -7.184
64 HA ILE 9 HA ILE 9 4.926 15.768 -7.278
65 HB ILE 9 HB ILE 9 2.792 14.432 -7.979
66 HG12 ILE 9 1HG1 ILE 9 3.658 12.840 -9.922
67 HG13 ILE 9 2HG1 ILE 9 5.031 12.645 -8.850
68 HG21 ILE 9 1HG2 ILE 9 4.434 14.919 -10.372
69 HG22 ILE 9 2HG2 ILE 9 2.889 15.642 -9.863
70 HG23 ILE 9 3HG2 ILE 9 4.421 16.254 -9.195
71 HD11 ILE 9 3HD1 ILE 9 3.534 10.927 -8.182
72 HD12 ILE 9 1HD1 ILE 9 3.275 12.206 -6.973
73 HD13 ILE 9 2HD1 ILE 9 2.115 11.995 -8.306
74 H THR 10 H THR 10 2.780 15.576 -5.927
75 HA THR 10 HA THR 10 3.442 14.877 -3.361
76 HB THR 10 HB THR 10 0.844 15.301 -4.881
77 HG1 THR 10 HG1 THR 10 2.239 16.551 -2.620
78 HG21 THR 10 3HG2 THR 10 0.625 13.685 -2.773
79 HG22 THR 10 1HG2 THR 10 0.959 15.171 -1.851
80 HG23 THR 10 2HG2 THR 10 -0.463 15.086 -2.920
81 H TYR 11 H TYR 11 4.442 12.893 -3.086
82 HA TYR 11 HA TYR 11 3.109 10.519 -4.027
83 HD1 TYR 11 HD1 TYR 11 7.633 9.749 -3.454
84 HD2 TYR 11 HD2 TYR 11 4.184 11.218 -5.517
85 HE1 TYR 11 HE1 TYR 11 8.886 9.610 -5.662
86 HE2 TYR 11 HE2 TYR 11 5.449 11.074 -7.718
87 HH TYR 11 HH TYR 11 8.871 10.234 -7.779
88 HB2 TYR 11 1HB TYR 11 5.583 11.294 -2.385
89 HB3 TYR 11 2HB TYR 11 5.129 9.608 -2.536
90 H GLU 12 H GLU 12 2.067 8.943 -2.776
91 HA GLU 12 HA GLU 12 1.211 9.938 -0.199
92 HE2 GLU 12 HE2 GLU 12 -0.477 4.332 -2.425
93 HB2 GLU 12 1HB GLU 12 -0.525 8.131 -0.377
94 HB3 GLU 12 2HB GLU 12 -0.578 9.276 -1.703
95 HG2 GLU 12 1HG GLU 12 -0.113 7.664 -3.240
96 HG3 GLU 12 2HG GLU 12 1.259 7.079 -2.319
97 H GLY 13 H GLY 13 1.336 8.641 1.743
98 HA2 GLY 13 1HA GLY 13 3.640 6.853 1.736
99 HA3 GLY 13 2HA GLY 13 2.827 7.547 3.125
100 H GLY 14 H GLY 14 0.938 6.540 4.010
101 HA2 GLY 14 1HA GLY 14 -0.662 4.621 3.008
102 HA3 GLY 14 2HA GLY 14 0.771 3.709 3.437
103 H GLY 15 H GLY 15 -1.419 2.963 4.799
104 HA2 GLY 15 1HA GLY 15 -2.489 2.910 6.798
105 HA3 GLY 15 2HA GLY 15 -0.852 2.998 7.417
106 H GLY 16 H GLY 16 -3.429 5.187 6.074
107 HA2 GLY 16 1HA GLY 16 -3.726 6.774 8.308
108 HA3 GLY 16 2HA GLY 16 -2.414 7.498 7.399
109 H SER 17 H SER 17 -5.855 6.486 7.258
110 HA SER 17 HA SER 17 -6.214 8.547 5.246
111 HG SER 17 HG SER 17 -6.337 7.963 3.308
112 HB2 SER 17 1HB SER 17 -6.378 5.789 4.684
113 HB3 SER 17 2HB SER 17 -8.049 6.289 4.856
114 H ALA 18 H ALA 18 -7.998 9.860 5.662
115 HA ALA 18 HA ALA 18 -9.144 10.013 8.088
116 HB1 ALA 18 3HB ALA 18 -10.863 11.375 7.024
117 HB2 ALA 18 1HB ALA 18 -9.303 11.666 6.217
118 HB3 ALA 18 2HB ALA 18 -10.524 10.627 5.445
119 H ALA 19 H ALA 19 -10.544 8.263 5.226
120 HA ALA 19 HA ALA 19 -12.812 7.317 6.420
121 HB1 ALA 19 3HB ALA 19 -12.562 5.423 4.742
122 HB2 ALA 19 1HB ALA 19 -12.435 7.062 4.061
123 HB3 ALA 19 2HB ALA 19 -10.965 6.096 4.337
124 H GLU 20 H GLU 20 -9.581 5.654 6.248
125 HA GLU 20 HA GLU 20 -10.505 3.735 8.153
126 HE2 GLU 20 HE2 GLU 20 -10.040 0.529 4.967
127 HB2 GLU 20 1HB GLU 20 -7.838 4.160 6.746
128 HB3 GLU 20 2HB GLU 20 -8.097 2.879 7.913
129 HG2 GLU 20 1HG GLU 20 -10.313 2.750 6.120
130 HG3 GLU 20 2HG GLU 20 -8.900 2.994 5.112
131 H ALA 21 H ALA 21 -10.895 5.925 9.545
132 HA ALA 21 HA ALA 21 -8.518 6.163 11.261
133 HB1 ALA 21 3HB ALA 21 -9.080 8.493 11.625
134 HB2 ALA 21 1HB ALA 21 -8.986 8.208 9.871
135 HB3 ALA 21 2HB ALA 21 -10.572 8.329 10.669
136 H TYR 22 H TYR 22 -12.105 6.786 11.167
137 HA TYR 22 HA TYR 22 -12.376 6.380 13.955
138 HD1 TYR 22 HD1 TYR 22 -14.442 6.973 9.863
139 HD2 TYR 22 HD2 TYR 22 -15.466 4.434 13.151
140 HE1 TYR 22 HE1 TYR 22 -15.830 5.513 8.313
141 HE2 TYR 22 HE2 TYR 22 -16.851 2.983 11.590
142 HH TYR 22 HH TYR 22 -16.908 2.453 9.206
143 HB2 TYR 22 1HB TYR 22 -14.639 6.914 13.408
144 HB3 TYR 22 2HB TYR 22 -13.807 7.599 12.026
145 H ALA 23 H ALA 23 -12.924 4.326 11.035
146 HA ALA 23 HA ALA 23 -14.241 2.225 12.068
147 HB1 ALA 23 3HB ALA 23 -12.665 2.790 9.798
148 HB2 ALA 23 1HB ALA 23 -11.991 1.290 10.478
149 HB3 ALA 23 2HB ALA 23 -13.717 1.377 10.052
150 H LYS 24 H LYS 24 -10.649 2.741 12.247
151 HA LYS 24 HA LYS 24 -9.958 0.487 13.591
152 HB2 LYS 24 1HB LYS 24 -8.891 3.294 13.577
153 HB3 LYS 24 2HB LYS 24 -8.200 2.119 14.679
154 HG2 LYS 24 1HG LYS 24 -8.561 1.494 11.721
155 HG3 LYS 24 2HG LYS 24 -7.138 2.332 12.309
156 HD2 LYS 24 1HD LYS 24 -7.294 0.208 14.086
157 HD3 LYS 24 2HD LYS 24 -7.916 -0.523 12.620
158 HE2 LYS 24 1HE LYS 24 -5.657 1.003 11.798
159 HE3 LYS 24 2HE LYS 24 -5.166 0.214 13.283
160 HZ1 LYS 24 2HZ LYS 24 -4.873 -1.601 12.005
161 HZ3 LYS 24 1HZ LYS 24 -5.656 -0.968 10.725
162 H ARG 25 H ARG 25 -10.972 3.633 15.103
163 HA ARG 25 HA ARG 25 -10.852 2.848 17.672
164 HE ARG 25 HE ARG 25 -13.201 6.236 19.015
165 HB2 ARG 25 1HB ARG 25 -12.484 4.829 16.130
166 HB3 ARG 25 2HB ARG 25 -13.100 4.442 17.724
167 HG2 ARG 25 1HG ARG 25 -10.152 5.036 17.444
168 HG3 ARG 25 2HG ARG 25 -11.276 6.378 17.360
169 HD2 ARG 25 1HD ARG 25 -11.323 4.339 19.632
170 HD3 ARG 25 2HD ARG 25 -10.372 5.809 19.704
171 HH11 ARG 25 2HH2 ARG 25 -10.827 6.040 21.637
172 HH12 ARG 25 1HH2 ARG 25 -11.797 6.944 22.751
173 HH21 ARG 25 1HH1 ARG 25 -13.943 7.751 22.051
174 H ILE 26 H ILE 26 -13.510 2.319 15.287
175 HA ILE 26 HA ILE 26 -15.424 1.325 17.005
176 HB ILE 26 HB ILE 26 -14.912 0.403 14.179
177 HG12 ILE 26 1HG1 ILE 26 -14.826 2.707 13.914
178 HG13 ILE 26 2HG1 ILE 26 -16.519 2.346 13.641
179 HG21 ILE 26 1HG2 ILE 26 -17.668 0.845 14.924
180 HG22 ILE 26 2HG2 ILE 26 -16.877 -0.623 14.300
181 HG23 ILE 26 3HG2 ILE 26 -16.886 -0.291 16.049
182 HD11 ILE 26 3HD1 ILE 26 -15.258 3.458 16.183
183 HD12 ILE 26 1HD1 ILE 26 -16.445 4.251 15.119
184 HD13 ILE 26 2HD1 ILE 26 -16.933 2.859 16.114
185 H ALA 27 H ALA 27 -13.180 -0.659 14.938
186 HA ALA 27 HA ALA 27 -13.716 -3.091 15.980
187 HB1 ALA 27 3HB ALA 27 -10.877 -2.205 15.414
188 HB2 ALA 27 1HB ALA 27 -11.652 -3.767 15.057
189 HB3 ALA 27 2HB ALA 27 -12.086 -2.322 14.113
190 H GLU 28 H GLU 28 -11.385 -0.646 17.296
191 HA GLU 28 HA GLU 28 -10.400 -2.131 19.339
192 HE2 GLU 28 HE2 GLU 28 -6.110 1.161 19.401
193 HB2 GLU 28 1HB GLU 28 -10.979 0.847 19.132
194 HB3 GLU 28 2HB GLU 28 -10.147 0.163 20.514
195 HG2 GLU 28 1HG GLU 28 -8.803 -0.987 18.338
196 HG3 GLU 28 2HG GLU 28 -9.153 0.634 17.772
197 H ALA 29 H ALA 29 -13.152 0.245 19.605
198 HA ALA 29 HA ALA 29 -13.896 -0.292 22.162
199 HB1 ALA 29 3HB ALA 29 -16.223 0.022 20.442
200 HB2 ALA 29 1HB ALA 29 -15.509 1.171 21.599
201 HB3 ALA 29 2HB ALA 29 -14.903 1.100 19.927
202 H MET 30 H MET 30 -15.303 -1.870 19.197
203 HA MET 30 HA MET 30 -16.951 -3.608 20.286
204 HB2 MET 30 1HB MET 30 -14.858 -4.127 18.105
205 HB3 MET 30 2HB MET 30 -16.202 -5.212 18.403
206 HG2 MET 30 1HG MET 30 -17.601 -2.892 18.196
207 HG3 MET 30 2HG MET 30 -16.218 -2.446 17.217
208 HE1 MET 30 3HE MET 30 -15.891 -2.809 15.147
209 HE2 MET 30 1HE MET 30 -15.437 -4.521 14.974
210 HE3 MET 30 2HE MET 30 -16.762 -3.848 13.994
211 H ALA 31 H ALA 31 -13.411 -4.338 19.829
212 HA ALA 31 HA ALA 31 -13.286 -6.787 20.944
213 HB1 ALA 31 3HB ALA 31 -10.997 -5.655 21.911
214 HB2 ALA 31 1HB ALA 31 -11.226 -6.144 20.214
215 HB3 ALA 31 2HB ALA 31 -11.472 -4.447 20.693
216 H LYS 32 H LYS 32 -12.791 -3.707 22.823
217 HA LYS 32 HA LYS 32 -12.966 -5.045 25.298
218 HB2 LYS 32 1HB LYS 32 -12.818 -2.865 26.267
219 HB3 LYS 32 2HB LYS 32 -11.747 -2.913 24.882
220 HG2 LYS 32 1HG LYS 32 -13.271 -1.640 23.518
221 HG3 LYS 32 2HG LYS 32 -14.601 -1.885 24.633
222 HD2 LYS 32 1HD LYS 32 -13.132 -0.614 26.380
223 HD3 LYS 32 2HD LYS 32 -12.144 -0.130 25.016
224 HE2 LYS 32 1HE LYS 32 -13.611 1.628 24.877
225 HE3 LYS 32 2HE LYS 32 -14.628 0.481 24.028
226 HZ1 LYS 32 2HZ LYS 32 -14.767 1.147 26.916
227 HZ3 LYS 32 1HZ LYS 32 -15.586 -0.101 26.265
228 H GLY 33 H GLY 33 -14.670 -5.205 26.795
229 HA2 GLY 33 1HA GLY 33 -17.211 -5.661 25.789
230 HA3 GLY 33 2HA GLY 33 -16.803 -5.400 27.473
Start of MODEL 13
1 HA ARG 1 HA ARG 1 -1.626 2.315 -5.519
2 HE ARG 1 HE ARG 1 -4.178 0.499 -1.904
3 H1 ARG 1 1H ARG 1 1.116 1.825 -4.683
4 HB2 ARG 1 1HB ARG 1 -0.011 3.483 -3.198
5 HB3 ARG 1 2HB ARG 1 -1.621 4.027 -3.626
6 HG2 ARG 1 1HG ARG 1 -1.101 1.079 -3.120
7 HG3 ARG 1 2HG ARG 1 -1.328 2.172 -1.769
8 HD2 ARG 1 1HD ARG 1 -3.564 2.691 -2.389
9 HD3 ARG 1 2HD ARG 1 -3.326 2.193 -4.052
10 HH11 ARG 1 2HH2 ARG 1 -2.021 0.432 -4.714
11 HH12 ARG 1 1HH2 ARG 1 -2.147 -1.282 -4.925
12 HH21 ARG 1 1HH1 ARG 1 -3.519 -2.553 -3.426
13 H GLY 2 H GLY 2 -2.133 4.295 -6.598
14 HA2 GLY 2 1HA GLY 2 -0.110 5.454 -8.158
15 HA3 GLY 2 2HA GLY 2 -1.744 6.050 -7.945
16 H LYS 3 H LYS 3 1.624 6.343 -6.962
17 HA LYS 3 HA LYS 3 1.357 7.857 -4.666
18 HB2 LYS 3 1HB LYS 3 3.632 8.576 -5.097
19 HB3 LYS 3 2HB LYS 3 3.460 6.871 -5.461
20 HG2 LYS 3 1HG LYS 3 2.979 8.789 -7.725
21 HG3 LYS 3 2HG LYS 3 4.633 8.627 -7.169
22 HD2 LYS 3 1HD LYS 3 3.607 5.970 -7.317
23 HD3 LYS 3 2HD LYS 3 3.047 6.773 -8.770
24 HE2 LYS 3 1HE LYS 3 5.594 7.663 -8.827
25 HE3 LYS 3 2HE LYS 3 5.873 6.219 -7.874
26 HZ1 LYS 3 2HZ LYS 3 5.592 6.314 -10.609
27 HZ3 LYS 3 1HZ LYS 3 4.190 5.653 -10.108
28 H TRP 4 H TRP 4 1.165 10.081 -4.230
29 HA TRP 4 HA TRP 4 0.311 11.672 -6.553
30 HD1 TRP 4 HD1 TRP 4 -0.813 9.200 -3.602
31 HE1 TRP 4 HE1 TRP 4 -0.996 9.065 -0.972
32 HE3 TRP 4 HE3 TRP 4 -1.128 14.218 -2.842
33 HZ2 TRP 4 HZ2 TRP 4 -1.246 11.028 1.084
34 HZ3 TRP 4 HZ3 TRP 4 -1.339 15.026 -0.493
35 HH2 TRP 4 HH2 TRP 4 -1.400 13.521 1.432
36 HB2 TRP 4 1HB TRP 4 -1.064 12.926 -4.795
37 HB3 TRP 4 2HB TRP 4 -1.652 11.384 -5.385
38 H THR 5 H THR 5 0.322 14.188 -5.463
39 HA THR 5 HA THR 5 2.884 14.511 -4.092
40 HB THR 5 HB THR 5 2.113 15.779 -6.774
41 HG1 THR 5 HG1 THR 5 3.235 13.970 -7.376
42 HG21 THR 5 3HG2 THR 5 4.890 16.001 -5.744
43 HG22 THR 5 1HG2 THR 5 3.885 17.230 -6.547
44 HG23 THR 5 2HG2 THR 5 3.709 16.940 -4.800
45 H TYR 6 H TYR 6 2.279 15.464 -2.243
46 HA TYR 6 HA TYR 6 0.100 17.393 -2.346
47 HD1 TYR 6 HD1 TYR 6 1.207 17.441 2.001
48 HD2 TYR 6 HD2 TYR 6 -1.744 16.970 -1.060
49 HE1 TYR 6 HE1 TYR 6 -0.515 18.592 3.475
50 HE2 TYR 6 HE2 TYR 6 -3.457 18.123 0.424
51 HH TYR 6 HH TYR 6 -2.928 20.005 2.655
52 HB2 TYR 6 1HB TYR 6 0.569 15.405 -0.641
53 HB3 TYR 6 2HB TYR 6 1.824 16.441 0.010
54 H ASN 7 H ASN 7 3.578 17.143 -1.363
55 HA ASN 7 HA ASN 7 3.642 20.048 -1.584
56 HB2 ASN 7 1HB ASN 7 4.655 18.227 0.590
57 HB3 ASN 7 2HB ASN 7 5.703 19.563 0.156
58 HD21 ASN 7 2HD2 ASN 7 3.931 21.331 2.618
59 HD22 ASN 7 1HD2 ASN 7 5.370 20.458 2.207
60 H GLY 8 H GLY 8 4.248 19.162 -3.896
61 HA2 GLY 8 1HA GLY 8 5.765 18.609 -5.470
62 HA3 GLY 8 2HA GLY 8 6.864 19.576 -4.507
63 H ILE 9 H ILE 9 5.267 16.398 -3.776
64 HA ILE 9 HA ILE 9 7.893 15.137 -3.878
65 HB ILE 9 HB ILE 9 7.177 13.976 -1.673
66 HG12 ILE 9 1HG1 ILE 9 5.903 15.354 -0.134
67 HG13 ILE 9 2HG1 ILE 9 5.700 16.602 -1.347
68 HG21 ILE 9 1HG2 ILE 9 8.405 15.665 -0.375
69 HG22 ILE 9 2HG2 ILE 9 9.190 15.312 -1.933
70 HG23 ILE 9 3HG2 ILE 9 8.250 16.810 -1.729
71 HD11 ILE 9 3HD1 ILE 9 4.805 13.798 -2.017
72 HD12 ILE 9 1HD1 ILE 9 3.794 14.793 -0.942
73 HD13 ILE 9 2HD1 ILE 9 4.160 15.356 -2.590
74 H THR 10 H THR 10 7.621 12.662 -3.674
75 HA THR 10 HA THR 10 5.235 11.951 -5.229
76 HB THR 10 HB THR 10 8.086 10.930 -5.008
77 HG1 THR 10 HG1 THR 10 7.170 12.539 -6.612
78 HG21 THR 10 3HG2 THR 10 6.631 9.317 -6.856
79 HG22 THR 10 1HG2 THR 10 7.422 8.771 -5.357
80 HG23 THR 10 2HG2 THR 10 5.710 9.257 -5.334
81 H TYR 11 H TYR 11 4.011 12.151 -3.120
82 HA TYR 11 HA TYR 11 4.513 10.348 -1.033
83 HD1 TYR 11 HD1 TYR 11 1.032 13.001 0.246
84 HD2 TYR 11 HD2 TYR 11 5.146 12.148 -0.558
85 HE1 TYR 11 HE1 TYR 11 1.734 14.683 2.018
86 HE2 TYR 11 HE2 TYR 11 5.835 13.833 1.217
87 HH TYR 11 HH TYR 11 5.177 15.232 2.718
88 HB2 TYR 11 1HB TYR 11 2.226 12.003 -2.182
89 HB3 TYR 11 2HB TYR 11 1.827 10.846 -0.927
90 H GLU 12 H GLU 12 3.990 8.222 -0.700
91 HA GLU 12 HA GLU 12 2.497 6.975 -2.872
92 HE2 GLU 12 HE2 GLU 12 7.233 4.408 0.679
93 HB2 GLU 12 1HB GLU 12 3.683 4.839 -1.993
94 HB3 GLU 12 2HB GLU 12 4.644 5.995 -2.893
95 HG2 GLU 12 1HG GLU 12 5.709 6.835 -0.936
96 HG3 GLU 12 2HG GLU 12 4.461 6.216 0.127
97 H GLY 13 H GLY 13 2.772 7.515 0.617
98 HA2 GLY 13 1HA GLY 13 1.181 5.495 1.637
99 HA3 GLY 13 2HA GLY 13 1.356 7.103 2.312
100 H GLY 14 H GLY 14 -1.020 6.483 2.895
101 HA2 GLY 14 1HA GLY 14 -2.795 7.257 0.657
102 HA3 GLY 14 2HA GLY 14 -3.239 6.164 1.952
103 H GLY 15 H GLY 15 -5.076 7.611 2.400
104 HA2 GLY 15 1HA GLY 15 -4.282 10.138 3.708
105 HA3 GLY 15 2HA GLY 15 -5.839 9.810 2.973
106 H GLY 16 H GLY 16 -4.081 9.861 5.897
107 HA2 GLY 16 1HA GLY 16 -6.166 8.237 7.228
108 HA3 GLY 16 2HA GLY 16 -4.480 8.206 7.704
109 H SER 17 H SER 17 -6.339 8.862 9.633
110 HA SER 17 HA SER 17 -6.002 11.754 9.831
111 HG SER 17 HG SER 17 -9.595 10.933 9.598
112 HB2 SER 17 1HB SER 17 -8.148 10.152 11.272
113 HB3 SER 17 2HB SER 17 -8.063 11.891 11.068
114 H ALA 18 H ALA 18 -5.022 12.553 11.716
115 HA ALA 18 HA ALA 18 -3.633 12.451 13.451
116 HB1 ALA 18 3HB ALA 18 -6.216 11.569 14.190
117 HB2 ALA 18 1HB ALA 18 -5.077 10.495 15.037
118 HB3 ALA 18 2HB ALA 18 -4.965 12.259 15.251
119 H ALA 19 H ALA 19 -2.464 11.034 11.530
120 HA ALA 19 HA ALA 19 -1.100 9.357 11.040
121 HB1 ALA 19 3HB ALA 19 -0.861 9.533 14.054
122 HB2 ALA 19 1HB ALA 19 0.117 8.382 13.112
123 HB3 ALA 19 2HB ALA 19 0.261 10.130 12.807
124 H GLU 20 H GLU 20 -4.026 8.796 11.451
125 HA GLU 20 HA GLU 20 -5.407 7.121 11.916
126 HE2 GLU 20 HE2 GLU 20 -2.757 4.074 7.235
127 HB2 GLU 20 1HB GLU 20 -4.947 5.150 10.424
128 HB3 GLU 20 2HB GLU 20 -4.762 6.695 9.617
129 HG2 GLU 20 1HG GLU 20 -2.411 6.543 9.549
130 HG3 GLU 20 2HG GLU 20 -2.334 5.457 10.922
131 H ALA 21 H ALA 21 -3.571 7.425 14.108
132 HA ALA 21 HA ALA 21 -2.681 4.756 14.783
133 HB1 ALA 21 3HB ALA 21 -1.922 5.970 16.884
134 HB2 ALA 21 1HB ALA 21 -1.212 6.565 15.364
135 HB3 ALA 21 2HB ALA 21 -2.532 7.470 16.144
136 H TYR 22 H TYR 22 -4.527 7.208 16.716
137 HA TYR 22 HA TYR 22 -5.737 5.497 18.423
138 HD1 TYR 22 HD1 TYR 22 -5.630 8.684 15.658
139 HD2 TYR 22 HD2 TYR 22 -9.295 7.645 17.606
140 HE1 TYR 22 HE1 TYR 22 -6.948 9.758 13.767
141 HE2 TYR 22 HE2 TYR 22 -10.600 8.723 15.709
142 HH TYR 22 HH TYR 22 -8.983 10.585 13.239
143 HB2 TYR 22 1HB TYR 22 -7.240 7.385 18.758
144 HB3 TYR 22 2HB TYR 22 -5.765 8.105 18.145
145 H ALA 23 H ALA 23 -6.787 6.334 15.077
146 HA ALA 23 HA ALA 23 -9.277 5.345 14.980
147 HB1 ALA 23 3HB ALA 23 -7.488 6.206 13.160
148 HB2 ALA 23 1HB ALA 23 -7.430 4.464 12.799
149 HB3 ALA 23 2HB ALA 23 -8.976 5.342 12.703
150 H LYS 24 H LYS 24 -6.237 3.378 14.693
151 HA LYS 24 HA LYS 24 -7.324 0.926 14.326
152 HB2 LYS 24 1HB LYS 24 -4.833 1.997 15.487
153 HB3 LYS 24 2HB LYS 24 -5.239 0.380 16.025
154 HG2 LYS 24 1HG LYS 24 -5.746 0.015 13.404
155 HG3 LYS 24 2HG LYS 24 -4.634 1.360 13.237
156 HD2 LYS 24 1HD LYS 24 -2.952 -0.161 13.395
157 HD3 LYS 24 2HD LYS 24 -3.339 -0.279 15.100
158 HE2 LYS 24 1HE LYS 24 -3.637 -2.506 14.596
159 HE3 LYS 24 2HE LYS 24 -5.238 -1.970 14.125
160 HZ1 LYS 24 2HZ LYS 24 -3.806 -3.303 12.439
161 HZ3 LYS 24 1HZ LYS 24 -3.062 -1.886 12.139
162 H ARG 25 H ARG 25 -6.987 2.737 17.428
163 HA ARG 25 HA ARG 25 -8.023 0.615 18.940
164 HE ARG 25 HE ARG 25 -5.509 0.633 18.230
165 HB2 ARG 25 1HB ARG 25 -7.859 3.605 19.576
166 HB3 ARG 25 2HB ARG 25 -8.192 2.353 20.757
167 HG2 ARG 25 1HG ARG 25 -5.638 2.634 19.105
168 HG3 ARG 25 2HG ARG 25 -5.801 2.970 20.817
169 HD2 ARG 25 1HD ARG 25 -5.121 0.807 21.117
170 HD3 ARG 25 2HD ARG 25 -6.766 0.378 20.695
171 HH11 ARG 25 2HH2 ARG 25 -4.856 -1.271 21.145
172 HH12 ARG 25 1HH2 ARG 25 -4.094 -2.564 20.280
173 HH21 ARG 25 1HH1 ARG 25 -3.897 -2.425 17.895
174 H ILE 26 H ILE 26 -9.378 3.531 17.338
175 HA ILE 26 HA ILE 26 -11.844 3.656 18.513
176 HB ILE 26 HB ILE 26 -11.016 4.173 15.657
177 HG12 ILE 26 1HG1 ILE 26 -9.770 5.495 17.266
178 HG13 ILE 26 2HG1 ILE 26 -10.887 6.512 16.379
179 HG21 ILE 26 1HG2 ILE 26 -13.649 4.241 16.905
180 HG22 ILE 26 2HG2 ILE 26 -13.172 5.820 16.234
181 HG23 ILE 26 3HG2 ILE 26 -13.184 4.377 15.192
182 HD11 ILE 26 3HD1 ILE 26 -10.817 5.870 19.261
183 HD12 ILE 26 1HD1 ILE 26 -11.565 7.251 18.424
184 HD13 ILE 26 2HD1 ILE 26 -12.437 5.704 18.544
185 H ALA 27 H ALA 27 -10.839 1.657 15.656
186 HA ALA 27 HA ALA 27 -13.247 0.481 15.126
187 HB1 ALA 27 3HB ALA 27 -10.955 0.316 13.941
188 HB2 ALA 27 1HB ALA 27 -10.618 -1.025 15.062
189 HB3 ALA 27 2HB ALA 27 -11.991 -1.132 13.934
190 H GLU 28 H GLU 28 -10.688 -0.643 17.445
191 HA GLU 28 HA GLU 28 -11.956 -2.888 18.297
192 HE2 GLU 28 HE2 GLU 28 -6.979 -2.727 19.555
193 HB2 GLU 28 1HB GLU 28 -10.153 -0.941 19.790
194 HB3 GLU 28 2HB GLU 28 -10.661 -2.469 20.483
195 HG2 GLU 28 1HG GLU 28 -9.782 -3.205 17.925
196 HG3 GLU 28 2HG GLU 28 -8.657 -1.938 18.375
197 H ALA 29 H ALA 29 -12.051 0.365 19.939
198 HA ALA 29 HA ALA 29 -13.835 -0.177 21.892
199 HB1 ALA 29 3HB ALA 29 -14.347 2.382 20.511
200 HB2 ALA 29 1HB ALA 29 -13.786 2.071 22.171
201 HB3 ALA 29 2HB ALA 29 -12.624 2.061 20.822
202 H MET 30 H MET 30 -14.728 1.077 18.592
203 HA MET 30 HA MET 30 -17.364 1.062 18.771
204 HB2 MET 30 1HB MET 30 -15.639 -0.057 16.493
205 HB3 MET 30 2HB MET 30 -17.332 0.353 16.299
206 HG2 MET 30 1HG MET 30 -16.235 2.652 17.501
207 HG3 MET 30 2HG MET 30 -14.980 2.132 16.394
208 HE1 MET 30 3HE MET 30 -16.921 1.259 13.347
209 HE2 MET 30 1HE MET 30 -15.751 2.593 13.203
210 HE3 MET 30 2HE MET 30 -15.401 1.214 14.273
211 H ALA 31 H ALA 31 -15.420 -1.883 17.879
212 HA ALA 31 HA ALA 31 -17.358 -3.699 17.521
213 HB1 ALA 31 3HB ALA 31 -15.309 -4.805 19.263
214 HB2 ALA 31 1HB ALA 31 -15.570 -5.063 17.522
215 HB3 ALA 31 2HB ALA 31 -14.592 -3.685 18.080
216 H LYS 32 H LYS 32 -18.748 -4.996 18.765
217 HA LYS 32 HA LYS 32 -19.558 -3.824 21.229
218 HB2 LYS 32 1HB LYS 32 -20.463 -6.288 19.715
219 HB3 LYS 32 2HB LYS 32 -21.203 -5.739 21.206
220 HG2 LYS 32 1HG LYS 32 -21.236 -3.389 19.825
221 HG3 LYS 32 2HG LYS 32 -21.287 -4.501 18.472
222 HD2 LYS 32 1HD LYS 32 -23.138 -5.593 20.290
223 HD3 LYS 32 2HD LYS 32 -23.382 -3.865 20.446
224 HE2 LYS 32 1HE LYS 32 -24.279 -3.671 18.343
225 HE3 LYS 32 2HE LYS 32 -23.089 -4.741 17.629
226 HZ1 LYS 32 2HZ LYS 32 -25.510 -5.556 17.776
227 HZ3 LYS 32 1HZ LYS 32 -25.218 -5.848 19.351
228 H GLY 33 H GLY 33 -18.160 -3.992 22.931
229 HA2 GLY 33 1HA GLY 33 -17.937 -6.101 24.539
230 HA3 GLY 33 2HA GLY 33 -16.702 -6.474 23.353
Start of MODEL 14
1 HA ARG 1 HA ARG 1 7.704 3.838 7.782
2 HE ARG 1 HE ARG 1 9.572 -1.173 6.605
3 H1 ARG 1 1H ARG 1 5.575 3.057 7.988
4 HB2 ARG 1 1HB ARG 1 6.736 2.050 5.608
5 HB3 ARG 1 2HB ARG 1 8.268 2.822 5.249
6 HG2 ARG 1 1HG ARG 1 8.616 2.032 7.901
7 HG3 ARG 1 2HG ARG 1 7.634 0.732 7.255
8 HD2 ARG 1 1HD ARG 1 9.337 0.756 5.239
9 HD3 ARG 1 2HD ARG 1 10.374 1.658 6.325
10 HH11 ARG 1 2HH2 ARG 1 11.106 1.632 8.132
11 HH12 ARG 1 1HH2 ARG 1 11.950 0.685 9.311
12 HH21 ARG 1 1HH1 ARG 1 11.687 -1.697 9.310
13 H GLY 2 H GLY 2 6.081 6.107 7.128
14 HA2 GLY 2 1HA GLY 2 6.678 8.173 6.304
15 HA3 GLY 2 2HA GLY 2 7.836 7.431 5.218
16 H LYS 3 H LYS 3 7.276 7.938 3.141
17 HA LYS 3 HA LYS 3 4.576 8.427 2.421
18 HB2 LYS 3 1HB LYS 3 7.095 8.137 0.758
19 HB3 LYS 3 2HB LYS 3 5.542 8.650 0.129
20 HG2 LYS 3 1HG LYS 3 6.059 10.772 0.735
21 HG3 LYS 3 2HG LYS 3 5.948 10.274 2.412
22 HD2 LYS 3 1HD LYS 3 8.229 10.221 2.690
23 HD3 LYS 3 2HD LYS 3 8.510 9.516 1.110
24 HE2 LYS 3 1HE LYS 3 7.734 11.942 0.256
25 HE3 LYS 3 2HE LYS 3 8.227 12.427 1.866
26 HZ1 LYS 3 2HZ LYS 3 9.906 11.212 -0.238
27 HZ3 LYS 3 1HZ LYS 3 10.377 11.147 1.319
28 H TRP 4 H TRP 4 3.313 7.224 0.817
29 HA TRP 4 HA TRP 4 4.082 4.394 0.677
30 HD1 TRP 4 HD1 TRP 4 2.304 7.034 3.189
31 HE1 TRP 4 HE1 TRP 4 0.189 8.607 3.316
32 HE3 TRP 4 HE3 TRP 4 -0.528 4.368 -0.087
33 HZ2 TRP 4 HZ2 TRP 4 -2.373 8.561 2.060
34 HZ3 TRP 4 HZ3 TRP 4 -2.824 5.200 -0.581
35 HH2 TRP 4 HH2 TRP 4 -3.756 7.220 0.432
36 HB2 TRP 4 1HB TRP 4 1.572 3.942 0.907
37 HB3 TRP 4 2HB TRP 4 2.507 4.271 2.352
38 H THR 5 H THR 5 2.054 3.464 -0.941
39 HA THR 5 HA THR 5 1.841 5.350 -3.167
40 HB THR 5 HB THR 5 2.937 2.498 -3.400
41 HG1 THR 5 HG1 THR 5 4.923 3.585 -3.397
42 HG21 THR 5 3HG2 THR 5 2.192 2.945 -5.575
43 HG22 THR 5 1HG2 THR 5 2.253 4.708 -5.339
44 HG23 THR 5 2HG2 THR 5 3.754 3.796 -5.629
45 H TYR 6 H TYR 6 -0.315 5.614 -3.261
46 HA TYR 6 HA TYR 6 -2.046 3.381 -2.690
47 HD1 TYR 6 HD1 TYR 6 -3.589 3.428 -1.459
48 HD2 TYR 6 HD2 TYR 6 -4.972 6.798 -3.703
49 HE1 TYR 6 HE1 TYR 6 -5.983 2.906 -0.780
50 HE2 TYR 6 HE2 TYR 6 -7.361 6.265 -3.016
51 HH TYR 6 HH TYR 6 -8.660 4.968 -1.889
52 HB2 TYR 6 1HB TYR 6 -2.222 6.014 -2.226
53 HB3 TYR 6 2HB TYR 6 -2.723 6.114 -3.902
54 H ASN 7 H ASN 7 -1.690 5.674 -5.496
55 HA ASN 7 HA ASN 7 -2.821 3.570 -7.140
56 HB2 ASN 7 1HB ASN 7 -3.321 6.321 -7.021
57 HB3 ASN 7 2HB ASN 7 -2.251 6.204 -8.404
58 HD21 ASN 7 2HD2 ASN 7 -6.043 4.575 -8.430
59 HD22 ASN 7 1HD2 ASN 7 -5.250 5.066 -6.970
60 H GLY 8 H GLY 8 -0.453 6.301 -7.646
61 HA2 GLY 8 1HA GLY 8 1.730 4.548 -8.240
62 HA3 GLY 8 2HA GLY 8 1.008 5.211 -9.693
63 H ILE 9 H ILE 9 0.988 6.946 -6.565
64 HA ILE 9 HA ILE 9 3.148 8.660 -7.535
65 HB ILE 9 HB ILE 9 1.935 10.648 -7.192
66 HG12 ILE 9 1HG1 ILE 9 -0.728 9.820 -6.615
67 HG13 ILE 9 2HG1 ILE 9 0.319 9.044 -5.444
68 HG21 ILE 9 1HG2 ILE 9 0.802 10.577 -9.120
69 HG22 ILE 9 2HG2 ILE 9 1.326 8.878 -9.190
70 HG23 ILE 9 3HG2 ILE 9 -0.285 9.287 -8.552
71 HD11 ILE 9 3HD1 ILE 9 1.445 11.483 -5.349
72 HD12 ILE 9 1HD1 ILE 9 -0.170 11.974 -5.913
73 HD13 ILE 9 2HD1 ILE 9 0.006 11.084 -4.382
74 H THR 10 H THR 10 4.498 9.433 -5.915
75 HA THR 10 HA THR 10 4.341 8.060 -3.424
76 HB THR 10 HB THR 10 6.159 10.112 -4.741
77 HG1 THR 10 HG1 THR 10 6.117 7.682 -5.086
78 HG21 THR 10 3HG2 THR 10 7.124 8.883 -2.225
79 HG22 THR 10 1HG2 THR 10 7.304 10.558 -2.800
80 HG23 THR 10 2HG2 THR 10 5.816 10.061 -1.960
81 H TYR 11 H TYR 11 2.844 8.514 -1.930
82 HA TYR 11 HA TYR 11 1.793 11.181 -1.720
83 HD1 TYR 11 HD1 TYR 11 0.764 9.348 -3.293
84 HD2 TYR 11 HD2 TYR 11 -1.470 9.569 0.349
85 HE1 TYR 11 HE1 TYR 11 -1.405 9.402 -4.618
86 HE2 TYR 11 HE2 TYR 11 -3.632 9.622 -0.989
87 HH TYR 11 HH TYR 11 -4.368 8.818 -3.249
88 HB2 TYR 11 1HB TYR 11 1.442 8.398 -0.562
89 HB3 TYR 11 2HB TYR 11 0.863 9.719 0.433
90 H GLU 12 H GLU 12 1.932 12.568 0.124
91 HA GLU 12 HA GLU 12 4.416 12.169 1.550
92 HE2 GLU 12 HE2 GLU 12 3.769 14.947 -2.335
93 HB2 GLU 12 1HB GLU 12 2.594 14.588 1.219
94 HB3 GLU 12 2HB GLU 12 4.004 14.592 2.260
95 HG2 GLU 12 1HG GLU 12 5.489 14.618 0.490
96 HG3 GLU 12 2HG GLU 12 4.490 13.579 -0.507
97 H GLY 13 H GLY 13 1.019 13.266 2.283
98 HA2 GLY 13 1HA GLY 13 0.315 11.537 4.213
99 HA3 GLY 13 2HA GLY 13 1.371 12.627 5.088
100 H GLY 14 H GLY 14 0.019 13.902 6.311
101 HA2 GLY 14 1HA GLY 14 -1.489 15.501 6.782
102 HA3 GLY 14 2HA GLY 14 -1.497 15.929 5.082
103 H GLY 15 H GLY 15 -3.809 15.879 6.886
104 HA2 GLY 15 1HA GLY 15 -5.593 14.357 5.230
105 HA3 GLY 15 2HA GLY 15 -5.405 13.665 6.829
106 H GLY 16 H GLY 16 -5.320 15.617 8.639
107 HA2 GLY 16 1HA GLY 16 -6.309 17.835 9.022
108 HA3 GLY 16 2HA GLY 16 -7.678 17.312 8.061
109 H SER 17 H SER 17 -7.485 14.478 9.186
110 HA SER 17 HA SER 17 -8.395 13.310 10.772
111 HG SER 17 HG SER 17 -8.753 15.106 13.762
112 HB2 SER 17 1HB SER 17 -6.679 13.757 12.298
113 HB3 SER 17 2HB SER 17 -7.036 15.471 12.370
114 H ALA 18 H ALA 18 -10.022 15.286 9.331
115 HA ALA 18 HA ALA 18 -11.708 16.730 11.004
116 HB1 ALA 18 3HB ALA 18 -11.501 17.013 8.548
117 HB2 ALA 18 1HB ALA 18 -12.290 15.435 8.309
118 HB3 ALA 18 2HB ALA 18 -13.194 16.779 9.047
119 H ALA 19 H ALA 19 -12.158 15.416 12.870
120 HA ALA 19 HA ALA 19 -13.548 14.164 14.066
121 HB1 ALA 19 3HB ALA 19 -15.111 14.848 11.949
122 HB2 ALA 19 1HB ALA 19 -15.100 13.077 11.769
123 HB3 ALA 19 2HB ALA 19 -15.666 13.814 13.287
124 H GLU 20 H GLU 20 -11.040 13.255 12.621
125 HA GLU 20 HA GLU 20 -11.634 10.401 12.758
126 HE2 GLU 20 HE2 GLU 20 -11.414 8.123 8.099
127 HB2 GLU 20 1HB GLU 20 -9.808 11.953 10.903
128 HB3 GLU 20 2HB GLU 20 -9.490 10.262 11.237
129 HG2 GLU 20 1HG GLU 20 -12.308 10.522 10.683
130 HG3 GLU 20 2HG GLU 20 -11.442 11.395 9.435
131 H ALA 21 H ALA 21 -9.903 13.113 14.020
132 HA ALA 21 HA ALA 21 -7.504 12.213 14.829
133 HB1 ALA 21 3HB ALA 21 -7.711 14.260 15.742
134 HB2 ALA 21 1HB ALA 21 -9.487 14.154 15.727
135 HB3 ALA 21 2HB ALA 21 -8.567 13.487 17.097
136 H TYR 22 H TYR 22 -10.707 11.136 15.948
137 HA TYR 22 HA TYR 22 -9.447 9.497 18.012
138 HD1 TYR 22 HD1 TYR 22 -12.543 7.487 17.291
139 HD2 TYR 22 HD2 TYR 22 -13.308 11.647 16.648
140 HE1 TYR 22 HE1 TYR 22 -14.550 6.902 15.843
141 HE2 TYR 22 HE2 TYR 22 -15.312 11.048 15.203
142 HH TYR 22 HH TYR 22 -15.956 7.726 14.302
143 HB2 TYR 22 1HB TYR 22 -11.692 9.437 18.877
144 HB3 TYR 22 2HB TYR 22 -11.627 11.025 18.137
145 H ALA 23 H ALA 23 -11.323 9.298 14.948
146 HA ALA 23 HA ALA 23 -11.923 6.628 14.940
147 HB1 ALA 23 3HB ALA 23 -11.010 8.342 12.593
148 HB2 ALA 23 1HB ALA 23 -12.003 6.867 12.504
149 HB3 ALA 23 2HB ALA 23 -12.654 8.332 13.277
150 H LYS 24 H LYS 24 -8.868 8.260 13.867
151 HA LYS 24 HA LYS 24 -7.498 6.181 12.859
152 HB2 LYS 24 1HB LYS 24 -5.458 7.339 13.977
153 HB3 LYS 24 2HB LYS 24 -6.397 8.207 12.779
154 HG2 LYS 24 1HG LYS 24 -6.971 9.802 14.288
155 HG3 LYS 24 2HG LYS 24 -7.602 8.600 15.396
156 HD2 LYS 24 1HD LYS 24 -5.839 8.982 16.766
157 HD3 LYS 24 2HD LYS 24 -4.773 8.332 15.536
158 HE2 LYS 24 1HE LYS 24 -3.882 10.391 15.211
159 HE3 LYS 24 2HE LYS 24 -5.448 10.997 14.710
160 HZ1 LYS 24 2HZ LYS 24 -4.480 10.867 17.516
161 HZ3 LYS 24 1HZ LYS 24 -5.969 11.369 17.088
162 H ARG 25 H ARG 25 -7.891 6.954 16.374
163 HA ARG 25 HA ARG 25 -6.349 4.794 17.202
164 HE ARG 25 HE ARG 25 -8.273 6.863 20.604
165 HB2 ARG 25 1HB ARG 25 -8.570 6.336 18.636
166 HB3 ARG 25 2HB ARG 25 -7.501 5.202 19.438
167 HG2 ARG 25 1HG ARG 25 -5.693 6.637 19.369
168 HG3 ARG 25 2HG ARG 25 -6.118 7.275 17.794
169 HD2 ARG 25 1HD ARG 25 -6.340 8.875 19.835
170 HD3 ARG 25 2HD ARG 25 -7.670 8.836 18.694
171 HH11 ARG 25 2HH2 ARG 25 -7.729 10.364 20.628
172 HH12 ARG 25 1HH2 ARG 25 -8.758 10.640 21.993
173 HH21 ARG 25 1HH1 ARG 25 -9.866 8.781 23.022
174 H ILE 26 H ILE 26 -9.863 5.256 16.565
175 HA ILE 26 HA ILE 26 -10.851 2.959 17.697
176 HB ILE 26 HB ILE 26 -11.705 4.419 15.196
177 HG12 ILE 26 1HG1 ILE 26 -11.578 5.717 17.362
178 HG13 ILE 26 2HG1 ILE 26 -13.140 5.695 16.567
179 HG21 ILE 26 1HG2 ILE 26 -12.705 1.967 16.405
180 HG22 ILE 26 2HG2 ILE 26 -13.947 3.240 16.337
181 HG23 ILE 26 3HG2 ILE 26 -13.113 2.731 14.850
182 HD11 ILE 26 3HD1 ILE 26 -14.122 4.688 18.345
183 HD12 ILE 26 1HD1 ILE 26 -12.879 3.414 18.384
184 HD13 ILE 26 2HD1 ILE 26 -12.602 4.955 19.232
185 H ALA 27 H ALA 27 -9.525 3.442 14.356
186 HA ALA 27 HA ALA 27 -9.926 0.955 13.349
187 HB1 ALA 27 3HB ALA 27 -8.327 1.540 11.754
188 HB2 ALA 27 1HB ALA 27 -8.784 3.132 12.405
189 HB3 ALA 27 2HB ALA 27 -7.281 2.347 12.946
190 H GLU 28 H GLU 28 -7.081 2.053 15.327
191 HA GLU 28 HA GLU 28 -5.709 -0.266 15.352
192 HE2 GLU 28 HE2 GLU 28 -2.581 1.615 18.580
193 HB2 GLU 28 1HB GLU 28 -6.080 1.832 17.522
194 HB3 GLU 28 2HB GLU 28 -4.946 0.508 17.700
195 HG2 GLU 28 1HG GLU 28 -4.404 1.503 15.121
196 HG3 GLU 28 2HG GLU 28 -4.726 2.947 16.061
197 H ALA 29 H ALA 29 -8.153 0.750 17.856
198 HA ALA 29 HA ALA 29 -8.176 -1.475 19.390
199 HB1 ALA 29 3HB ALA 29 -9.938 0.754 18.790
200 HB2 ALA 29 1HB ALA 29 -10.885 -0.722 19.096
201 HB3 ALA 29 2HB ALA 29 -9.728 -0.139 20.316
202 H MET 30 H MET 30 -10.201 -0.936 16.417
203 HA MET 30 HA MET 30 -11.470 -3.313 16.381
204 HB2 MET 30 1HB MET 30 -10.279 -1.749 14.022
205 HB3 MET 30 2HB MET 30 -11.531 -2.964 13.858
206 HG2 MET 30 1HG MET 30 -12.980 -1.588 15.444
207 HG3 MET 30 2HG MET 30 -11.750 -0.339 15.409
208 HE1 MET 30 3HE MET 30 -14.664 -1.729 12.307
209 HE2 MET 30 1HE MET 30 -14.419 -2.195 14.007
210 HE3 MET 30 2HE MET 30 -15.228 -0.660 13.613
211 H ALA 31 H ALA 31 -8.322 -2.583 14.699
212 HA ALA 31 HA ALA 31 -6.673 -3.896 14.030
213 HB1 ALA 31 3HB ALA 31 -6.391 -4.369 16.390
214 HB2 ALA 31 1HB ALA 31 -7.678 -5.598 16.344
215 HB3 ALA 31 2HB ALA 31 -6.146 -5.882 15.485
216 H LYS 32 H LYS 32 -8.741 -3.997 12.321
217 HA LYS 32 HA LYS 32 -9.078 -6.866 11.781
218 HB2 LYS 32 1HB LYS 32 -11.147 -6.229 10.579
219 HB3 LYS 32 2HB LYS 32 -11.208 -5.875 12.294
220 HG2 LYS 32 1HG LYS 32 -11.410 -3.631 11.938
221 HG3 LYS 32 2HG LYS 32 -10.107 -3.614 10.765
222 HD2 LYS 32 1HD LYS 32 -11.537 -3.768 8.979
223 HD3 LYS 32 2HD LYS 32 -12.550 -4.963 9.766
224 HE2 LYS 32 1HE LYS 32 -13.925 -3.359 10.762
225 HE3 LYS 32 2HE LYS 32 -12.646 -2.166 10.870
226 HZ1 LYS 32 2HZ LYS 32 -13.640 -1.286 9.056
227 HZ3 LYS 32 1HZ LYS 32 -14.483 -2.634 8.702
228 H GLY 33 H GLY 33 -8.481 -7.652 9.769
229 HA2 GLY 33 1HA GLY 33 -6.495 -6.336 8.350
230 HA3 GLY 33 2HA GLY 33 -7.438 -7.699 7.780
Start of MODEL 15
1 HA ARG 1 HA ARG 1 -0.672 13.256 -9.890
2 HE ARG 1 HE ARG 1 -1.864 16.375 -13.460
3 H1 ARG 1 1H ARG 1 -0.830 11.412 -11.981
4 HB2 ARG 1 1HB ARG 1 -2.850 12.366 -11.809
5 HB3 ARG 1 2HB ARG 1 -3.255 13.458 -10.500
6 HG2 ARG 1 1HG ARG 1 -0.833 14.437 -11.713
7 HG3 ARG 1 2HG ARG 1 -1.951 14.065 -13.010
8 HD2 ARG 1 1HD ARG 1 -3.698 15.335 -11.397
9 HD3 ARG 1 2HD ARG 1 -2.235 16.074 -10.775
10 HH11 ARG 1 2HH2 ARG 1 -4.683 17.043 -11.420
11 HH12 ARG 1 1HH2 ARG 1 -5.265 18.325 -12.429
12 HH21 ARG 1 1HH1 ARG 1 -4.043 18.910 -14.406
13 H GLY 2 H GLY 2 -0.510 12.294 -7.825
14 HA2 GLY 2 1HA GLY 2 -2.864 11.429 -6.566
15 HA3 GLY 2 2HA GLY 2 -1.923 10.015 -6.998
16 H LYS 3 H LYS 3 0.164 9.646 -6.037
17 HA LYS 3 HA LYS 3 0.390 10.417 -3.401
18 HB2 LYS 3 1HB LYS 3 2.569 9.376 -3.464
19 HB3 LYS 3 2HB LYS 3 1.436 8.424 -4.403
20 HG2 LYS 3 1HG LYS 3 2.616 10.391 -6.161
21 HG3 LYS 3 2HG LYS 3 3.912 9.615 -5.273
22 HD2 LYS 3 1HD LYS 3 1.726 7.910 -6.493
23 HD3 LYS 3 2HD LYS 3 2.999 8.534 -7.522
24 HE2 LYS 3 1HE LYS 3 4.725 7.468 -6.108
25 HE3 LYS 3 2HE LYS 3 3.507 6.937 -4.966
26 HZ1 LYS 3 2HZ LYS 3 4.252 5.729 -7.439
27 HZ3 LYS 3 1HZ LYS 3 2.644 5.986 -7.401
28 H TRP 4 H TRP 4 2.710 11.459 -2.658
29 HA TRP 4 HA TRP 4 3.289 13.808 -4.251
30 HD1 TRP 4 HD1 TRP 4 -0.093 12.818 -2.688
31 HE1 TRP 4 HE1 TRP 4 -1.237 12.044 -0.440
32 HE3 TRP 4 HE3 TRP 4 3.291 15.018 0.405
33 HZ2 TRP 4 HZ2 TRP 4 -0.612 12.429 2.318
34 HZ3 TRP 4 HZ3 TRP 4 2.950 14.771 2.862
35 HH2 TRP 4 HH2 TRP 4 1.080 13.530 3.829
36 HB2 TRP 4 1HB TRP 4 3.002 15.093 -1.931
37 HB3 TRP 4 2HB TRP 4 1.752 15.016 -3.157
38 H THR 5 H THR 5 4.938 15.160 -2.541
39 HA THR 5 HA THR 5 6.674 13.143 -1.311
40 HB THR 5 HB THR 5 7.798 15.355 -3.068
41 HG1 THR 5 HG1 THR 5 6.380 14.177 -4.448
42 HG21 THR 5 3HG2 THR 5 8.699 12.490 -2.458
43 HG22 THR 5 1HG2 THR 5 9.604 13.696 -3.404
44 HG23 THR 5 2HG2 THR 5 9.351 13.941 -1.660
45 H TYR 6 H TYR 6 6.405 13.695 0.791
46 HA TYR 6 HA TYR 6 6.837 16.538 1.419
47 HD1 TYR 6 HD1 TYR 6 6.084 17.926 2.466
48 HD2 TYR 6 HD2 TYR 6 4.204 15.026 4.988
49 HE1 TYR 6 HE1 TYR 6 5.640 19.720 4.212
50 HE2 TYR 6 HE2 TYR 6 3.767 16.830 6.725
51 HH TYR 6 HH TYR 6 3.506 19.246 6.781
52 HB2 TYR 6 1HB TYR 6 4.583 15.241 1.900
53 HB3 TYR 6 2HB TYR 6 5.498 14.324 3.079
54 H ASN 7 H ASN 7 9.055 16.613 1.774
55 HA ASN 7 HA ASN 7 10.900 16.404 2.896
56 HB2 ASN 7 1HB ASN 7 8.917 15.779 4.859
57 HB3 ASN 7 2HB ASN 7 10.161 14.559 5.052
58 HD21 ASN 7 2HD2 ASN 7 11.908 16.736 7.111
59 HD22 ASN 7 1HD2 ASN 7 11.085 15.228 6.886
60 H GLY 8 H GLY 8 10.769 14.760 0.761
61 HA2 GLY 8 1HA GLY 8 11.496 12.852 -0.176
62 HA3 GLY 8 2HA GLY 8 12.518 12.675 1.236
63 H ILE 9 H ILE 9 8.943 12.455 0.562
64 HA ILE 9 HA ILE 9 9.025 9.740 1.630
65 HB ILE 9 HB ILE 9 7.750 12.071 2.869
66 HG12 ILE 9 1HG1 ILE 9 9.494 10.599 3.900
67 HG13 ILE 9 2HG1 ILE 9 8.049 10.815 4.867
68 HG21 ILE 9 1HG2 ILE 9 5.839 10.526 3.694
69 HG22 ILE 9 2HG2 ILE 9 5.683 11.334 2.116
70 HG23 ILE 9 3HG2 ILE 9 6.147 9.617 2.195
71 HD11 ILE 9 3HD1 ILE 9 8.694 8.404 3.109
72 HD12 ILE 9 1HD1 ILE 9 8.683 8.450 4.889
73 HD13 ILE 9 2HD1 ILE 9 7.160 8.630 3.985
74 H THR 10 H THR 10 7.338 8.372 0.814
75 HA THR 10 HA THR 10 5.884 9.566 -1.454
76 HB THR 10 HB THR 10 7.556 7.046 -1.194
77 HG1 THR 10 HG1 THR 10 6.969 9.044 -3.263
78 HG21 THR 10 3HG2 THR 10 6.499 6.021 -3.065
79 HG22 THR 10 1HG2 THR 10 5.114 6.553 -2.081
80 HG23 THR 10 2HG2 THR 10 5.622 7.509 -3.495
81 H TYR 11 H TYR 11 3.794 9.729 -0.944
82 HA TYR 11 HA TYR 11 2.673 7.848 0.954
83 HD1 TYR 11 HD1 TYR 11 4.003 10.765 1.250
84 HD2 TYR 11 HD2 TYR 11 -0.090 10.074 2.285
85 HE1 TYR 11 HE1 TYR 11 4.388 11.843 3.521
86 HE2 TYR 11 HE2 TYR 11 0.308 11.154 4.552
87 HH TYR 11 HH TYR 11 3.551 12.236 5.488
88 HB2 TYR 11 1HB TYR 11 1.950 10.427 -0.507
89 HB3 TYR 11 2HB TYR 11 0.638 9.483 0.168
90 H GLU 12 H GLU 12 0.764 6.567 0.525
91 HA GLU 12 HA GLU 12 0.585 5.897 -2.305
92 HE2 GLU 12 HE2 GLU 12 -0.038 1.417 0.822
93 HB2 GLU 12 1HB GLU 12 -0.147 3.661 -1.583
94 HB3 GLU 12 2HB GLU 12 1.392 4.063 -0.849
95 HG2 GLU 12 1HG GLU 12 -0.341 5.051 1.052
96 HG3 GLU 12 2HG GLU 12 -1.284 3.713 0.426
97 H GLY 13 H GLY 13 -1.777 4.626 -2.580
98 HA2 GLY 13 1HA GLY 13 -3.861 6.210 -1.263
99 HA3 GLY 13 2HA GLY 13 -3.717 6.332 -3.005
100 H GLY 14 H GLY 14 -3.986 3.890 -0.337
101 HA2 GLY 14 1HA GLY 14 -5.930 2.420 -1.943
102 HA3 GLY 14 2HA GLY 14 -4.452 1.575 -1.527
103 H GLY 15 H GLY 15 -7.423 3.084 -0.263
104 HA2 GLY 15 1HA GLY 15 -7.758 1.273 1.812
105 HA3 GLY 15 2HA GLY 15 -6.902 2.644 2.490
106 H GLY 16 H GLY 16 -7.869 4.908 1.577
107 HA2 GLY 16 1HA GLY 16 -10.316 5.440 0.733
108 HA3 GLY 16 2HA GLY 16 -10.687 4.836 2.336
109 H SER 17 H SER 17 -11.355 6.769 3.309
110 HA SER 17 HA SER 17 -9.789 9.112 2.988
111 HG SER 17 HG SER 17 -11.477 10.712 2.944
112 HB2 SER 17 1HB SER 17 -12.320 8.338 4.379
113 HB3 SER 17 2HB SER 17 -11.460 9.699 5.072
114 H ALA 18 H ALA 18 -8.679 10.268 4.765
115 HA ALA 18 HA ALA 18 -7.145 8.487 6.355
116 HB1 ALA 18 3HB ALA 18 -6.826 11.166 7.245
117 HB2 ALA 18 1HB ALA 18 -5.774 10.253 6.136
118 HB3 ALA 18 2HB ALA 18 -7.103 11.245 5.488
119 H ALA 19 H ALA 19 -9.791 10.870 6.983
120 HA ALA 19 HA ALA 19 -9.790 10.672 9.745
121 HB1 ALA 19 3HB ALA 19 -12.423 10.949 8.406
122 HB2 ALA 19 1HB ALA 19 -11.609 12.027 9.565
123 HB3 ALA 19 2HB ALA 19 -11.166 12.076 7.841
124 H GLU 20 H GLU 20 -11.289 8.610 7.209
125 HA GLU 20 HA GLU 20 -12.388 6.945 9.304
126 HE2 GLU 20 HE2 GLU 20 -15.238 7.119 5.438
127 HB2 GLU 20 1HB GLU 20 -12.754 6.978 6.281
128 HB3 GLU 20 2HB GLU 20 -13.434 5.726 7.301
129 HG2 GLU 20 1HG GLU 20 -14.285 7.941 8.668
130 HG3 GLU 20 2HG GLU 20 -14.220 8.604 7.047
131 H ALA 21 H ALA 21 -9.807 6.695 9.680
132 HA ALA 21 HA ALA 21 -9.134 4.163 8.369
133 HB1 ALA 21 3HB ALA 21 -7.884 6.012 7.272
134 HB2 ALA 21 1HB ALA 21 -7.219 6.481 8.855
135 HB3 ALA 21 2HB ALA 21 -6.806 4.900 8.149
136 H TYR 22 H TYR 22 -8.360 6.519 11.020
137 HA TYR 22 HA TYR 22 -7.421 4.337 12.676
138 HD1 TYR 22 HD1 TYR 22 -7.700 8.933 12.088
139 HD2 TYR 22 HD2 TYR 22 -8.735 6.465 15.426
140 HE1 TYR 22 HE1 TYR 22 -9.197 10.776 12.996
141 HE2 TYR 22 HE2 TYR 22 -10.229 8.316 16.323
142 HH TYR 22 HH TYR 22 -11.429 10.621 14.669
143 HB2 TYR 22 1HB TYR 22 -6.551 6.162 13.951
144 HB3 TYR 22 2HB TYR 22 -6.619 6.886 12.357
145 H ALA 23 H ALA 23 -10.161 6.677 12.499
146 HA ALA 23 HA ALA 23 -11.349 6.292 14.894
147 HB1 ALA 23 3HB ALA 23 -11.991 7.585 12.623
148 HB2 ALA 23 1HB ALA 23 -13.111 6.210 12.477
149 HB3 ALA 23 2HB ALA 23 -13.182 7.267 13.907
150 H LYS 24 H LYS 24 -10.936 3.959 12.277
151 HA LYS 24 HA LYS 24 -12.971 2.190 13.204
152 HB2 LYS 24 1HB LYS 24 -12.236 2.310 10.846
153 HB3 LYS 24 2HB LYS 24 -10.652 1.721 11.306
154 HG2 LYS 24 1HG LYS 24 -11.854 -0.214 10.564
155 HG3 LYS 24 2HG LYS 24 -11.820 -0.334 12.312
156 HD2 LYS 24 1HD LYS 24 -14.081 -0.635 12.116
157 HD3 LYS 24 2HD LYS 24 -14.132 1.111 11.978
158 HE2 LYS 24 1HE LYS 24 -13.934 0.882 9.467
159 HE3 LYS 24 2HE LYS 24 -13.987 -0.860 9.646
160 HZ1 LYS 24 2HZ LYS 24 -16.140 0.838 10.759
161 HZ3 LYS 24 1HZ LYS 24 -16.199 -0.755 10.425
162 H ARG 25 H ARG 25 -9.340 1.942 13.151
163 HA ARG 25 HA ARG 25 -9.114 -0.249 14.668
164 HE ARG 25 HE ARG 25 -5.063 0.935 15.744
165 HB2 ARG 25 1HB ARG 25 -6.851 0.355 14.952
166 HB3 ARG 25 2HB ARG 25 -7.307 1.333 13.571
167 HG2 ARG 25 1HG ARG 25 -6.391 3.026 14.837
168 HG3 ARG 25 2HG ARG 25 -7.998 3.073 15.535
169 HD2 ARG 25 1HD ARG 25 -6.387 3.007 17.364
170 HD3 ARG 25 2HD ARG 25 -7.228 1.470 17.333
171 HH11 ARG 25 2HH2 ARG 25 -5.315 2.432 18.945
172 HH12 ARG 25 1HH2 ARG 25 -3.753 1.887 19.460
173 HH21 ARG 25 1HH1 ARG 25 -2.412 0.586 17.960
174 H ILE 26 H ILE 26 -10.085 3.000 15.669
175 HA ILE 26 HA ILE 26 -9.465 2.895 18.368
176 HB ILE 26 HB ILE 26 -11.673 4.281 16.853
177 HG12 ILE 26 1HG1 ILE 26 -9.174 4.779 16.431
178 HG13 ILE 26 2HG1 ILE 26 -10.268 6.120 16.703
179 HG21 ILE 26 1HG2 ILE 26 -11.491 5.789 19.033
180 HG22 ILE 26 2HG2 ILE 26 -12.610 4.409 18.925
181 HG23 ILE 26 3HG2 ILE 26 -11.054 4.228 19.769
182 HD11 ILE 26 3HD1 ILE 26 -9.230 6.724 18.639
183 HD12 ILE 26 1HD1 ILE 26 -9.144 5.042 19.215
184 HD13 ILE 26 2HD1 ILE 26 -7.907 5.664 18.097
185 H ALA 27 H ALA 27 -12.590 2.038 16.716
186 HA ALA 27 HA ALA 27 -13.936 1.137 18.912
187 HB1 ALA 27 3HB ALA 27 -14.293 1.201 16.149
188 HB2 ALA 27 1HB ALA 27 -14.351 -0.535 16.536
189 HB3 ALA 27 2HB ALA 27 -15.465 0.595 17.343
190 H GLU 28 H GLU 28 -11.727 -0.743 16.730
191 HA GLU 28 HA GLU 28 -11.999 -3.162 17.908
192 HE2 GLU 28 HE2 GLU 28 -11.848 -5.057 14.371
193 HB2 GLU 28 1HB GLU 28 -9.576 -1.829 16.642
194 HB3 GLU 28 2HB GLU 28 -9.548 -3.506 17.151
195 HG2 GLU 28 1HG GLU 28 -11.938 -3.357 15.713
196 HG3 GLU 28 2HG GLU 28 -10.894 -2.269 14.820
197 H ALA 29 H ALA 29 -9.436 -0.696 18.702
198 HA ALA 29 HA ALA 29 -8.280 -1.999 20.800
199 HB1 ALA 29 3HB ALA 29 -7.562 0.239 21.526
200 HB2 ALA 29 1HB ALA 29 -7.480 0.101 19.753
201 HB3 ALA 29 2HB ALA 29 -8.823 0.985 20.516
202 H MET 30 H MET 30 -10.957 0.459 21.033
203 HA MET 30 HA MET 30 -11.428 0.411 23.632
204 HB2 MET 30 1HB MET 30 -13.451 0.271 21.332
205 HB3 MET 30 2HB MET 30 -13.917 0.683 22.970
206 HG2 MET 30 1HG MET 30 -11.839 2.434 22.644
207 HG3 MET 30 2HG MET 30 -12.360 2.294 20.977
208 HE1 MET 30 3HE MET 30 -13.656 4.470 24.357
209 HE2 MET 30 1HE MET 30 -12.177 4.277 23.385
210 HE3 MET 30 2HE MET 30 -13.404 5.475 22.909
211 H ALA 31 H ALA 31 -12.783 -2.020 21.296
212 HA ALA 31 HA ALA 31 -13.928 -3.557 23.421
213 HB1 ALA 31 3HB ALA 31 -13.632 -4.958 20.892
214 HB2 ALA 31 1HB ALA 31 -15.113 -4.403 21.708
215 HB3 ALA 31 2HB ALA 31 -14.228 -3.302 20.625
216 H LYS 32 H LYS 32 -11.863 -3.693 24.701
217 HA LYS 32 HA LYS 32 -9.784 -5.325 23.576
218 HB2 LYS 32 1HB LYS 32 -10.165 -3.601 25.906
219 HB3 LYS 32 2HB LYS 32 -9.336 -5.089 26.314
220 HG2 LYS 32 1HG LYS 32 -7.699 -4.699 24.474
221 HG3 LYS 32 2HG LYS 32 -8.540 -3.229 24.024
222 HD2 LYS 32 1HD LYS 32 -7.969 -3.139 26.868
223 HD3 LYS 32 2HD LYS 32 -6.497 -3.552 26.013
224 HE2 LYS 32 1HE LYS 32 -6.309 -1.286 25.712
225 HE3 LYS 32 2HE LYS 32 -7.429 -1.547 24.389
226 HZ1 LYS 32 2HZ LYS 32 -8.626 -0.014 25.560
227 HZ3 LYS 32 1HZ LYS 32 -7.947 -0.364 26.999
228 H GLY 33 H GLY 33 -10.642 -7.347 23.060
229 HA2 GLY 33 1HA GLY 33 -10.933 -9.157 25.260
230 HA3 GLY 33 2HA GLY 33 -12.462 -8.830 24.470
Start of MODEL 16
1 HA ARG 1 HA ARG 1 -0.833 6.634 -2.592
2 HE ARG 1 HE ARG 1 -0.031 2.291 -3.265
3 H1 ARG 1 1H ARG 1 -2.003 4.794 -3.984
4 HB2 ARG 1 1HB ARG 1 1.290 5.327 -2.695
5 HB3 ARG 1 2HB ARG 1 -0.103 4.266 -2.608
6 HG2 ARG 1 1HG ARG 1 -0.033 4.026 -5.123
7 HG3 ARG 1 2HG ARG 1 1.415 5.012 -5.153
8 HD2 ARG 1 1HD ARG 1 2.119 2.686 -5.187
9 HD3 ARG 1 2HD ARG 1 2.534 3.334 -3.613
10 HH11 ARG 1 2HH2 ARG 1 3.074 0.978 -4.358
11 HH12 ARG 1 1HH2 ARG 1 2.736 -0.624 -3.793
12 HH21 ARG 1 1HH1 ARG 1 0.643 -1.072 -2.715
13 H GLY 2 H GLY 2 0.419 8.492 -2.835
14 HA2 GLY 2 1HA GLY 2 0.893 9.442 -5.524
15 HA3 GLY 2 2HA GLY 2 1.147 10.302 -4.018
16 H LYS 3 H LYS 3 3.221 10.550 -3.260
17 HA LYS 3 HA LYS 3 5.399 10.251 -3.005
18 HB2 LYS 3 1HB LYS 3 4.818 7.854 -2.625
19 HB3 LYS 3 2HB LYS 3 5.061 7.546 -4.333
20 HG2 LYS 3 1HG LYS 3 7.410 8.177 -4.200
21 HG3 LYS 3 2HG LYS 3 7.213 8.803 -2.575
22 HD2 LYS 3 1HD LYS 3 6.602 5.892 -3.206
23 HD3 LYS 3 2HD LYS 3 8.242 6.412 -2.877
24 HE2 LYS 3 1HE LYS 3 7.548 7.309 -0.668
25 HE3 LYS 3 2HE LYS 3 5.878 6.892 -1.000
26 HZ1 LYS 3 2HZ LYS 3 8.097 4.921 -0.833
27 HZ3 LYS 3 1HZ LYS 3 6.533 4.549 -1.096
28 H TRP 4 H TRP 4 4.004 11.413 -5.420
29 HA TRP 4 HA TRP 4 5.934 10.894 -7.526
30 HD1 TRP 4 HD1 TRP 4 2.165 10.907 -6.045
31 HE1 TRP 4 HE1 TRP 4 0.318 12.594 -5.205
32 HE3 TRP 4 HE3 TRP 4 3.823 14.884 -8.745
33 HZ2 TRP 4 HZ2 TRP 4 -0.230 15.341 -5.752
34 HZ3 TRP 4 HZ3 TRP 4 2.575 17.032 -8.535
35 HH2 TRP 4 HH2 TRP 4 0.613 17.297 -7.102
36 HB2 TRP 4 1HB TRP 4 4.450 12.607 -8.727
37 HB3 TRP 4 2HB TRP 4 3.817 11.002 -8.417
38 H THR 5 H THR 5 6.614 13.128 -8.698
39 HA THR 5 HA THR 5 7.449 14.999 -6.582
40 HB THR 5 HB THR 5 9.592 15.152 -8.083
41 HG1 THR 5 HG1 THR 5 8.403 13.851 -9.777
42 HG21 THR 5 3HG2 THR 5 9.434 12.342 -7.051
43 HG22 THR 5 1HG2 THR 5 10.661 13.592 -6.737
44 HG23 THR 5 2HG2 THR 5 9.115 13.622 -5.856
45 H TYR 6 H TYR 6 6.439 16.880 -6.867
46 HA TYR 6 HA TYR 6 5.806 17.651 -9.623
47 HD1 TYR 6 HD1 TYR 6 3.811 17.748 -10.375
48 HD2 TYR 6 HD2 TYR 6 3.352 20.639 -7.254
49 HE1 TYR 6 HE1 TYR 6 2.167 19.051 -11.812
50 HE2 TYR 6 HE2 TYR 6 1.710 21.931 -8.702
51 HH TYR 6 HH TYR 6 0.169 21.427 -10.561
52 HB2 TYR 6 1HB TYR 6 4.177 17.434 -7.501
53 HB3 TYR 6 2HB TYR 6 4.915 18.938 -6.988
54 H ASN 7 H ASN 7 6.971 19.079 -6.486
55 HA ASN 7 HA ASN 7 8.375 21.034 -8.131
56 HB2 ASN 7 1HB ASN 7 6.528 21.749 -6.379
57 HB3 ASN 7 2HB ASN 7 7.744 21.388 -5.171
58 HD21 ASN 7 2HD2 ASN 7 7.847 25.012 -6.136
59 HD22 ASN 7 1HD2 ASN 7 6.624 23.911 -5.595
60 H GLY 8 H GLY 8 9.523 18.475 -7.736
61 HA2 GLY 8 1HA GLY 8 11.472 17.540 -7.111
62 HA3 GLY 8 2HA GLY 8 11.987 19.099 -6.499
63 H ILE 9 H ILE 9 8.989 17.478 -5.409
64 HA ILE 9 HA ILE 9 10.324 16.585 -2.986
65 HB ILE 9 HB ILE 9 8.943 17.775 -1.503
66 HG12 ILE 9 1HG1 ILE 9 7.419 19.538 -3.151
67 HG13 ILE 9 2HG1 ILE 9 7.127 17.905 -3.715
68 HG21 ILE 9 1HG2 ILE 9 10.892 18.982 -2.648
69 HG22 ILE 9 2HG2 ILE 9 9.645 19.877 -3.549
70 HG23 ILE 9 3HG2 ILE 9 9.702 19.974 -1.772
71 HD11 ILE 9 3HD1 ILE 9 5.559 17.987 -2.011
72 HD12 ILE 9 1HD1 ILE 9 6.956 17.409 -1.072
73 HD13 ILE 9 2HD1 ILE 9 6.517 19.134 -1.043
74 H THR 10 H THR 10 9.339 14.780 -2.055
75 HA THR 10 HA THR 10 7.538 13.377 -3.777
76 HB THR 10 HB THR 10 9.020 12.883 -1.177
77 HG1 THR 10 HG1 THR 10 9.559 11.012 -2.743
78 HG21 THR 10 3HG2 THR 10 6.581 11.839 -1.181
79 HG22 THR 10 1HG2 THR 10 7.236 10.780 -2.452
80 HG23 THR 10 2HG2 THR 10 7.970 10.783 -0.831
81 H TYR 11 H TYR 11 5.451 13.912 -3.958
82 HA TYR 11 HA TYR 11 4.097 15.155 -1.748
83 HD1 TYR 11 HD1 TYR 11 5.416 16.493 -3.560
84 HD2 TYR 11 HD2 TYR 11 1.245 16.524 -4.512
85 HE1 TYR 11 HE1 TYR 11 5.520 19.001 -3.968
86 HE2 TYR 11 HE2 TYR 11 1.363 19.031 -4.917
87 HH TYR 11 HH TYR 11 2.581 20.821 -4.760
88 HB2 TYR 11 1HB TYR 11 3.657 14.340 -4.640
89 HB3 TYR 11 2HB TYR 11 2.212 14.561 -3.673
90 H GLU 12 H GLU 12 2.174 14.332 -0.705
91 HA GLU 12 HA GLU 12 2.135 11.417 -0.740
92 HE2 GLU 12 HE2 GLU 12 4.296 10.589 3.321
93 HB2 GLU 12 1HB GLU 12 1.712 13.443 1.468
94 HB3 GLU 12 2HB GLU 12 0.986 11.853 1.604
95 HG2 GLU 12 1HG GLU 12 3.885 11.954 0.812
96 HG3 GLU 12 2HG GLU 12 3.503 12.393 2.465
97 H GLY 13 H GLY 13 -0.057 10.409 -0.265
98 HA2 GLY 13 1HA GLY 13 -2.284 12.131 -1.144
99 HA3 GLY 13 2HA GLY 13 -1.959 10.611 -1.953
100 H GLY 14 H GLY 14 -4.281 11.620 -0.203
101 HA2 GLY 14 1HA GLY 14 -5.716 10.025 0.847
102 HA3 GLY 14 2HA GLY 14 -4.320 9.285 1.604
103 H GLY 15 H GLY 15 -6.630 10.168 3.061
104 HA2 GLY 15 1HA GLY 15 -5.345 11.854 4.999
105 HA3 GLY 15 2HA GLY 15 -6.635 12.671 4.139
106 H GLY 16 H GLY 16 -5.811 10.202 6.507
107 HA2 GLY 16 1HA GLY 16 -8.615 10.082 7.319
108 HA3 GLY 16 2HA GLY 16 -7.852 8.572 6.863
109 H SER 17 H SER 17 -8.021 7.725 9.026
110 HA SER 17 HA SER 17 -6.463 9.169 11.001
111 HG SER 17 HG SER 17 -9.691 8.562 12.220
112 HB2 SER 17 1HB SER 17 -8.597 7.029 11.144
113 HB3 SER 17 2HB SER 17 -7.505 7.247 12.497
114 H ALA 18 H ALA 18 -4.371 8.529 11.358
115 HA ALA 18 HA ALA 18 -3.481 6.037 10.206
116 HB1 ALA 18 3HB ALA 18 -1.841 7.990 11.841
117 HB2 ALA 18 1HB ALA 18 -1.306 6.903 10.537
118 HB3 ALA 18 2HB ALA 18 -2.290 8.336 10.154
119 H ALA 19 H ALA 19 -4.362 7.409 13.353
120 HA ALA 19 HA ALA 19 -3.223 5.102 14.721
121 HB1 ALA 19 3HB ALA 19 -2.734 7.033 15.925
122 HB2 ALA 19 1HB ALA 19 -4.281 7.810 15.512
123 HB3 ALA 19 2HB ALA 19 -4.237 6.502 16.718
124 H GLU 20 H GLU 20 -5.564 5.018 12.764
125 HA GLU 20 HA GLU 20 -7.837 4.609 14.404
126 HE2 GLU 20 HE2 GLU 20 -6.990 1.973 9.288
127 HB2 GLU 20 1HB GLU 20 -8.961 3.988 12.350
128 HB3 GLU 20 2HB GLU 20 -7.921 5.354 12.000
129 HG2 GLU 20 1HG GLU 20 -6.259 3.953 10.945
130 HG3 GLU 20 2HG GLU 20 -6.982 2.488 11.579
131 H ALA 21 H ALA 21 -5.070 2.717 13.421
132 HA ALA 21 HA ALA 21 -5.928 0.177 13.235
133 HB1 ALA 21 3HB ALA 21 -3.681 0.056 13.176
134 HB2 ALA 21 1HB ALA 21 -3.513 1.574 14.089
135 HB3 ALA 21 2HB ALA 21 -3.711 0.032 14.955
136 H TYR 22 H TYR 22 -5.101 1.783 16.397
137 HA TYR 22 HA TYR 22 -6.216 -0.312 17.922
138 HD1 TYR 22 HD1 TYR 22 -4.600 4.009 17.802
139 HD2 TYR 22 HD2 TYR 22 -7.751 2.290 20.130
140 HE1 TYR 22 HE1 TYR 22 -5.595 6.319 18.175
141 HE2 TYR 22 HE2 TYR 22 -8.734 4.605 20.496
142 HH TYR 22 HH TYR 22 -7.457 7.132 20.443
143 HB2 TYR 22 1HB TYR 22 -5.463 1.110 19.682
144 HB3 TYR 22 2HB TYR 22 -4.504 1.733 18.354
145 H ALA 23 H ALA 23 -7.440 2.910 16.834
146 HA ALA 23 HA ALA 23 -9.686 3.175 18.279
147 HB1 ALA 23 3HB ALA 23 -10.447 4.580 16.561
148 HB2 ALA 23 1HB ALA 23 -8.689 4.542 16.286
149 HB3 ALA 23 2HB ALA 23 -9.768 3.546 15.281
150 H LYS 24 H LYS 24 -9.378 1.183 15.255
151 HA LYS 24 HA LYS 24 -11.941 0.246 15.149
152 HB2 LYS 24 1HB LYS 24 -10.107 -0.062 13.462
153 HB3 LYS 24 2HB LYS 24 -9.442 -1.331 14.471
154 HG2 LYS 24 1HG LYS 24 -11.002 -2.838 13.779
155 HG3 LYS 24 2HG LYS 24 -12.322 -1.721 14.065
156 HD2 LYS 24 1HD LYS 24 -12.415 -1.069 11.871
157 HD3 LYS 24 2HD LYS 24 -10.671 -0.971 11.724
158 HE2 LYS 24 1HE LYS 24 -10.844 -2.852 10.443
159 HE3 LYS 24 2HE LYS 24 -11.044 -3.710 11.957
160 HZ1 LYS 24 2HZ LYS 24 -12.922 -3.488 9.933
161 HZ3 LYS 24 1HZ LYS 24 -13.524 -2.591 11.152
162 H ARG 25 H ARG 25 -9.131 -1.210 16.929
163 HA ARG 25 HA ARG 25 -10.433 -3.352 17.937
164 HE ARG 25 HE ARG 25 -6.917 -5.021 19.662
165 HB2 ARG 25 1HB ARG 25 -8.290 -1.603 19.243
166 HB3 ARG 25 2HB ARG 25 -8.758 -3.172 19.868
167 HG2 ARG 25 1HG ARG 25 -7.830 -2.786 16.990
168 HG3 ARG 25 2HG ARG 25 -6.706 -3.109 18.295
169 HD2 ARG 25 1HD ARG 25 -9.096 -4.931 18.032
170 HD3 ARG 25 2HD ARG 25 -7.814 -5.099 16.849
171 HH11 ARG 25 2HH2 ARG 25 -7.817 -7.058 16.906
172 HH12 ARG 25 1HH2 ARG 25 -7.004 -8.460 17.518
173 HH21 ARG 25 1HH1 ARG 25 -5.852 -8.327 19.615
174 H ILE 26 H ILE 26 -10.307 0.033 19.196
175 HA ILE 26 HA ILE 26 -11.512 -0.340 21.629
176 HB ILE 26 HB ILE 26 -11.936 2.002 19.775
177 HG12 ILE 26 1HG1 ILE 26 -9.629 1.789 19.708
178 HG13 ILE 26 2HG1 ILE 26 -9.873 2.891 21.049
179 HG21 ILE 26 1HG2 ILE 26 -13.296 1.846 21.902
180 HG22 ILE 26 2HG2 ILE 26 -11.760 1.978 22.793
181 HG23 ILE 26 3HG2 ILE 26 -12.286 3.301 21.724
182 HD11 ILE 26 3HD1 ILE 26 -9.766 0.914 22.630
183 HD12 ILE 26 1HD1 ILE 26 -9.353 -0.110 21.234
184 HD13 ILE 26 2HD1 ILE 26 -8.257 1.200 21.731
185 H ALA 27 H ALA 27 -13.206 0.652 18.564
186 HA ALA 27 HA ALA 27 -15.758 0.476 19.445
187 HB1 ALA 27 3HB ALA 27 -15.238 1.293 17.247
188 HB2 ALA 27 1HB ALA 27 -14.529 -0.268 16.766
189 HB3 ALA 27 2HB ALA 27 -16.284 -0.132 17.033
190 H GLU 28 H GLU 28 -13.735 -2.232 18.123
191 HA GLU 28 HA GLU 28 -15.601 -4.188 18.235
192 HE2 GLU 28 HE2 GLU 28 -12.039 -6.148 14.691
193 HB2 GLU 28 1HB GLU 28 -12.607 -4.306 18.785
194 HB3 GLU 28 2HB GLU 28 -13.596 -5.743 18.619
195 HG2 GLU 28 1HG GLU 28 -14.306 -4.152 16.392
196 HG3 GLU 28 2HG GLU 28 -12.572 -3.943 16.535
197 H ALA 29 H ALA 29 -13.145 -3.501 20.840
198 HA ALA 29 HA ALA 29 -13.980 -5.211 22.736
199 HB1 ALA 29 3HB ALA 29 -13.141 -3.514 24.372
200 HB2 ALA 29 1HB ALA 29 -12.051 -3.741 22.983
201 HB3 ALA 29 2HB ALA 29 -13.109 -2.312 23.060
202 H MET 30 H MET 30 -15.222 -1.800 22.444
203 HA MET 30 HA MET 30 -17.070 -1.787 24.319
204 HB2 MET 30 1HB MET 30 -17.424 -0.851 21.417
205 HB3 MET 30 2HB MET 30 -18.417 -0.294 22.749
206 HG2 MET 30 1HG MET 30 -16.228 0.458 23.900
207 HG3 MET 30 2HG MET 30 -15.420 0.141 22.378
208 HE1 MET 30 3HE MET 30 -15.629 2.670 24.097
209 HE2 MET 30 1HE MET 30 -14.840 3.113 22.564
210 HE3 MET 30 2HE MET 30 -16.219 4.065 23.163
211 H ALA 31 H ALA 31 -17.698 -3.061 20.968
212 HA ALA 31 HA ALA 31 -19.380 -4.294 20.180
213 HB1 ALA 31 3HB ALA 31 -17.958 -6.011 21.139
214 HB2 ALA 31 1HB ALA 31 -18.688 -5.778 22.745
215 HB3 ALA 31 2HB ALA 31 -19.656 -6.463 21.418
216 H LYS 32 H LYS 32 -20.486 -2.034 21.165
217 HA LYS 32 HA LYS 32 -22.891 -3.062 22.488
218 HB2 LYS 32 1HB LYS 32 -23.015 -1.164 23.931
219 HB3 LYS 32 2HB LYS 32 -21.429 -1.880 24.129
220 HG2 LYS 32 1HG LYS 32 -20.346 -0.052 23.256
221 HG3 LYS 32 2HG LYS 32 -21.538 0.178 21.991
222 HD2 LYS 32 1HD LYS 32 -23.126 1.099 23.773
223 HD3 LYS 32 2HD LYS 32 -21.795 1.032 24.911
224 HE2 LYS 32 1HE LYS 32 -21.614 2.534 22.260
225 HE3 LYS 32 2HE LYS 32 -22.168 3.294 23.739
226 HZ1 LYS 32 2HZ LYS 32 -19.514 2.813 22.964
227 HZ3 LYS 32 1HZ LYS 32 -19.777 1.947 24.318
228 H GLY 33 H GLY 33 -24.843 -1.739 22.028
229 HA2 GLY 33 1HA GLY 33 -25.477 0.278 20.621
230 HA3 GLY 33 2HA GLY 33 -24.627 -0.552 19.333
Start of MODEL 17
1 HA ARG 1 HA ARG 1 -1.023 20.888 1.644
2 HE ARG 1 HE ARG 1 2.032 23.157 4.172
3 H1 ARG 1 1H ARG 1 -3.267 21.335 3.431
4 HB2 ARG 1 1HB ARG 1 -1.521 20.228 4.574
5 HB3 ARG 1 2HB ARG 1 -0.255 19.406 3.684
6 HG2 ARG 1 1HG ARG 1 -0.274 22.371 3.361
7 HG3 ARG 1 2HG ARG 1 0.066 21.817 4.988
8 HD2 ARG 1 1HD ARG 1 1.913 20.390 4.160
9 HD3 ARG 1 2HD ARG 1 1.532 20.809 2.501
10 HH11 ARG 1 2HH2 ARG 1 3.575 20.657 2.191
11 HH12 ARG 1 1HH2 ARG 1 4.992 21.603 1.881
12 HH21 ARG 1 1HH1 ARG 1 5.163 23.803 2.814
13 H GLY 2 H GLY 2 -0.352 18.428 1.526
14 HA2 GLY 2 1HA GLY 2 -2.456 16.504 1.892
15 HA3 GLY 2 2HA GLY 2 -2.234 16.960 0.215
16 H LYS 3 H LYS 3 -0.942 15.561 -0.885
17 HA LYS 3 HA LYS 3 0.730 13.736 0.450
18 HB2 LYS 3 1HB LYS 3 0.989 14.398 -2.473
19 HB3 LYS 3 2HB LYS 3 1.166 12.853 -1.667
20 HG2 LYS 3 1HG LYS 3 -0.996 12.413 -2.189
21 HG3 LYS 3 2HG LYS 3 -1.469 13.649 -1.041
22 HD2 LYS 3 1HD LYS 3 -0.714 15.124 -3.314
23 HD3 LYS 3 2HD LYS 3 -1.517 13.720 -3.988
24 HE2 LYS 3 1HE LYS 3 -3.391 14.188 -2.215
25 HE3 LYS 3 2HE LYS 3 -2.644 15.763 -2.038
26 HZ1 LYS 3 2HZ LYS 3 -2.854 15.891 -4.577
27 HZ3 LYS 3 1HZ LYS 3 -4.237 16.037 -3.729
28 H TRP 4 H TRP 4 3.148 13.505 -0.145
29 HA TRP 4 HA TRP 4 4.382 16.173 -0.151
30 HD1 TRP 4 HD1 TRP 4 2.994 13.235 2.624
31 HE1 TRP 4 HE1 TRP 4 3.642 10.743 3.201
32 HE3 TRP 4 HE3 TRP 4 7.772 13.528 0.911
33 HZ2 TRP 4 HZ2 TRP 4 6.027 9.209 2.884
34 HZ3 TRP 4 HZ3 TRP 4 9.194 11.488 1.082
35 HH2 TRP 4 HH2 TRP 4 8.393 9.381 2.028
36 HB2 TRP 4 1HB TRP 4 6.089 15.229 1.414
37 HB3 TRP 4 2HB TRP 4 4.501 15.512 2.099
38 H THR 5 H THR 5 5.295 16.262 -2.176
39 HA THR 5 HA THR 5 6.224 13.857 -3.454
40 HB THR 5 HB THR 5 6.940 15.773 -5.157
41 HG1 THR 5 HG1 THR 5 6.678 17.622 -3.901
42 HG21 THR 5 3HG2 THR 5 3.989 15.948 -4.655
43 HG22 THR 5 1HG2 THR 5 4.858 15.582 -6.165
44 HG23 THR 5 2HG2 THR 5 4.627 14.311 -4.940
45 H TYR 6 H TYR 6 7.957 12.914 -2.479
46 HA TYR 6 HA TYR 6 10.191 14.646 -1.756
47 HD1 TYR 6 HD1 TYR 6 9.703 14.597 0.787
48 HD2 TYR 6 HD2 TYR 6 12.182 11.279 -0.286
49 HE1 TYR 6 HE1 TYR 6 11.266 15.131 2.719
50 HE2 TYR 6 HE2 TYR 6 13.737 11.824 1.649
51 HH TYR 6 HH TYR 6 14.110 14.413 2.985
52 HB2 TYR 6 1HB TYR 6 8.909 12.424 -0.633
53 HB3 TYR 6 2HB TYR 6 10.230 11.645 -1.481
54 H ASN 7 H ASN 7 9.722 11.449 -3.435
55 HA ASN 7 HA ASN 7 12.002 12.213 -5.081
56 HB2 ASN 7 1HB ASN 7 11.784 9.975 -3.510
57 HB3 ASN 7 2HB ASN 7 11.076 9.353 -4.987
58 HD21 ASN 7 2HD2 ASN 7 14.440 8.442 -5.629
59 HD22 ASN 7 1HD2 ASN 7 12.936 7.934 -4.936
60 H GLY 8 H GLY 8 9.522 13.272 -5.806
61 HA2 GLY 8 1HA GLY 8 8.100 13.436 -7.538
62 HA3 GLY 8 2HA GLY 8 9.116 12.303 -8.406
63 H ILE 9 H ILE 9 7.543 11.578 -5.264
64 HA ILE 9 HA ILE 9 5.578 9.935 -6.671
65 HB ILE 9 HB ILE 9 6.876 8.166 -6.270
66 HG12 ILE 9 1HG1 ILE 9 6.439 7.070 -4.126
67 HG13 ILE 9 2HG1 ILE 9 5.918 8.588 -3.424
68 HG21 ILE 9 1HG2 ILE 9 8.932 8.951 -5.722
69 HG22 ILE 9 2HG2 ILE 9 8.316 10.000 -4.423
70 HG23 ILE 9 3HG2 ILE 9 8.496 8.251 -4.145
71 HD11 ILE 9 3HD1 ILE 9 4.427 8.302 -5.838
72 HD12 ILE 9 1HD1 ILE 9 4.393 6.716 -5.030
73 HD13 ILE 9 2HD1 ILE 9 3.824 8.165 -4.168
74 H THR 10 H THR 10 3.558 10.041 -5.775
75 HA THR 10 HA THR 10 3.295 11.797 -3.467
76 HB THR 10 HB THR 10 1.397 10.651 -5.572
77 HG1 THR 10 HG1 THR 10 2.338 13.293 -4.696
78 HG21 THR 10 3HG2 THR 10 0.638 11.392 -2.956
79 HG22 THR 10 1HG2 THR 10 0.407 12.876 -3.911
80 HG23 THR 10 2HG2 THR 10 -0.424 11.375 -4.384
81 H TYR 11 H TYR 11 3.539 10.891 -1.515
82 HA TYR 11 HA TYR 11 2.845 8.126 -1.128
83 HD1 TYR 11 HD1 TYR 11 5.311 10.160 -1.791
84 HD2 TYR 11 HD2 TYR 11 5.434 7.692 1.702
85 HE1 TYR 11 HE1 TYR 11 7.658 9.398 -2.403
86 HE2 TYR 11 HE2 TYR 11 7.781 6.938 1.077
87 HH TYR 11 HH TYR 11 9.136 7.635 -2.008
88 HB2 TYR 11 1HB TYR 11 3.842 10.498 0.556
89 HB3 TYR 11 2HB TYR 11 3.532 8.938 1.292
90 H GLU 12 H GLU 12 2.053 10.882 1.059
91 HA GLU 12 HA GLU 12 0.293 11.036 2.400
92 HE2 GLU 12 HE2 GLU 12 -3.032 11.711 3.862
93 HB2 GLU 12 1HB GLU 12 -0.161 12.038 -0.156
94 HB3 GLU 12 2HB GLU 12 -1.620 11.115 0.143
95 HG2 GLU 12 1HG GLU 12 -0.594 12.930 2.331
96 HG3 GLU 12 2HG GLU 12 -1.403 13.656 0.956
97 H GLY 13 H GLY 13 0.940 8.271 2.119
98 HA2 GLY 13 1HA GLY 13 -0.019 6.345 2.848
99 HA3 GLY 13 2HA GLY 13 -1.597 7.106 2.817
100 H GLY 14 H GLY 14 0.345 4.757 1.361
101 HA2 GLY 14 1HA GLY 14 -1.356 4.767 -1.059
102 HA3 GLY 14 2HA GLY 14 0.361 4.423 -1.121
103 H GLY 15 H GLY 15 -2.837 3.211 -0.240
104 HA2 GLY 15 1HA GLY 15 -2.766 0.685 -0.700
105 HA3 GLY 15 2HA GLY 15 -1.676 0.663 0.672
106 H GLY 16 H GLY 16 -2.632 2.231 2.598
107 HA2 GLY 16 1HA GLY 16 -4.571 0.946 3.911
108 HA3 GLY 16 2HA GLY 16 -4.327 2.677 4.041
109 H SER 17 H SER 17 -6.877 1.276 4.300
110 HA SER 17 HA SER 17 -8.202 2.356 1.935
111 HG SER 17 HG SER 17 -7.544 -0.382 1.696
112 HB2 SER 17 1HB SER 17 -8.836 -0.085 3.626
113 HB3 SER 17 2HB SER 17 -10.073 0.672 2.642
114 H ALA 18 H ALA 18 -9.336 4.199 2.408
115 HA ALA 18 HA ALA 18 -9.611 5.325 4.848
116 HB1 ALA 18 3HB ALA 18 -10.165 6.161 2.434
117 HB2 ALA 18 1HB ALA 18 -11.805 5.565 2.784
118 HB3 ALA 18 2HB ALA 18 -11.081 6.828 3.807
119 H ALA 19 H ALA 19 -12.124 3.295 3.175
120 HA ALA 19 HA ALA 19 -14.065 3.281 5.026
121 HB1 ALA 19 3HB ALA 19 -14.659 1.067 4.174
122 HB2 ALA 19 1HB ALA 19 -14.062 2.083 2.840
123 HB3 ALA 19 2HB ALA 19 -13.008 0.836 3.550
124 H GLU 20 H GLU 20 -11.149 1.113 5.051
125 HA GLU 20 HA GLU 20 -11.869 0.284 7.707
126 HE2 GLU 20 HE2 GLU 20 -11.911 -4.485 5.894
127 HB2 GLU 20 1HB GLU 20 -9.617 -0.516 5.819
128 HB3 GLU 20 2HB GLU 20 -9.768 -1.159 7.442
129 HG2 GLU 20 1HG GLU 20 -12.099 -1.955 6.870
130 HG3 GLU 20 2HG GLU 20 -11.862 -1.388 5.229
131 H ALA 21 H ALA 21 -11.574 2.833 8.133
132 HA ALA 21 HA ALA 21 -8.813 3.147 9.095
133 HB1 ALA 21 3HB ALA 21 -9.208 4.605 7.162
134 HB2 ALA 21 1HB ALA 21 -10.679 5.253 7.927
135 HB3 ALA 21 2HB ALA 21 -9.083 5.577 8.648
136 H TYR 22 H TYR 22 -12.202 4.428 9.450
137 HA TYR 22 HA TYR 22 -11.871 5.360 12.043
138 HD1 TYR 22 HD1 TYR 22 -14.891 3.995 8.787
139 HD2 TYR 22 HD2 TYR 22 -14.833 3.331 13.013
140 HE1 TYR 22 HE1 TYR 22 -16.470 2.022 8.506
141 HE2 TYR 22 HE2 TYR 22 -16.412 1.360 12.718
142 HH TYR 22 HH TYR 22 -17.082 0.034 9.641
143 HB2 TYR 22 1HB TYR 22 -14.240 5.643 11.833
144 HB3 TYR 22 2HB TYR 22 -13.768 5.511 10.150
145 H ALA 23 H ALA 23 -12.795 2.112 10.792
146 HA ALA 23 HA ALA 23 -13.781 0.887 12.958
147 HB1 ALA 23 3HB ALA 23 -13.087 0.020 10.586
148 HB2 ALA 23 1HB ALA 23 -11.563 -0.433 11.388
149 HB3 ALA 23 2HB ALA 23 -13.105 -1.119 11.953
150 H LYS 24 H LYS 24 -10.250 1.419 12.297
151 HA LYS 24 HA LYS 24 -9.256 0.202 14.538
152 HB2 LYS 24 1HB LYS 24 -7.950 1.073 12.609
153 HB3 LYS 24 2HB LYS 24 -8.202 2.706 13.191
154 HG2 LYS 24 1HG LYS 24 -6.328 2.434 14.447
155 HG3 LYS 24 2HG LYS 24 -7.268 1.365 15.470
156 HD2 LYS 24 1HD LYS 24 -5.925 -0.355 14.864
157 HD3 LYS 24 2HD LYS 24 -6.515 -0.211 13.220
158 HE2 LYS 24 1HE LYS 24 -4.607 0.832 12.488
159 HE3 LYS 24 2HE LYS 24 -4.491 1.843 13.915
160 HZ1 LYS 24 2HZ LYS 24 -3.282 -0.742 13.431
161 HZ3 LYS 24 1HZ LYS 24 -3.911 -0.585 14.925
162 H ARG 25 H ARG 25 -10.070 3.730 14.180
163 HA ARG 25 HA ARG 25 -9.546 4.538 16.652
164 HE ARG 25 HE ARG 25 -11.410 8.430 16.143
165 HB2 ARG 25 1HB ARG 25 -11.754 5.265 14.710
166 HB3 ARG 25 2HB ARG 25 -11.753 6.018 16.293
167 HG2 ARG 25 1HG ARG 25 -9.509 6.927 15.940
168 HG3 ARG 25 2HG ARG 25 -9.313 6.009 14.460
169 HD2 ARG 25 1HD ARG 25 -9.927 8.116 13.618
170 HD3 ARG 25 2HD ARG 25 -11.475 7.297 13.654
171 HH11 ARG 25 2HH2 ARG 25 -10.766 9.786 12.934
172 HH12 ARG 25 1HH2 ARG 25 -11.277 11.383 13.370
173 HH21 ARG 25 1HH1 ARG 25 -12.048 11.800 15.600
174 H ILE 26 H ILE 26 -12.479 2.752 15.546
175 HA ILE 26 HA ILE 26 -13.985 2.966 17.853
176 HB ILE 26 HB ILE 26 -13.883 0.556 16.049
177 HG12 ILE 26 1HG1 ILE 26 -13.990 2.210 14.441
178 HG13 ILE 26 2HG1 ILE 26 -15.686 1.908 14.762
179 HG21 ILE 26 1HG2 ILE 26 -15.648 -0.105 17.214
180 HG22 ILE 26 2HG2 ILE 26 -15.555 1.357 18.226
181 HG23 ILE 26 3HG2 ILE 26 -16.515 1.371 16.727
182 HD11 ILE 26 3HD1 ILE 26 -14.000 4.283 15.509
183 HD12 ILE 26 1HD1 ILE 26 -15.679 4.223 14.919
184 HD13 ILE 26 2HD1 ILE 26 -15.316 3.823 16.615
185 H ALA 27 H ALA 27 -11.817 0.210 16.880
186 HA ALA 27 HA ALA 27 -11.963 -1.253 19.148
187 HB1 ALA 27 3HB ALA 27 -9.427 -0.685 17.562
188 HB2 ALA 27 1HB ALA 27 -9.790 -2.143 18.517
189 HB3 ALA 27 2HB ALA 27 -10.718 -1.794 17.038
190 H GLU 28 H GLU 28 -9.851 1.623 18.537
191 HA GLU 28 HA GLU 28 -8.485 1.526 20.909
192 HE2 GLU 28 HE2 GLU 28 -4.345 3.640 19.419
193 HB2 GLU 28 1HB GLU 28 -9.305 3.875 19.155
194 HB3 GLU 28 2HB GLU 28 -8.238 4.061 20.533
195 HG2 GLU 28 1HG GLU 28 -7.117 1.881 19.188
196 HG3 GLU 28 2HG GLU 28 -7.685 2.888 17.871
197 H ALA 29 H ALA 29 -11.349 3.644 20.133
198 HA ALA 29 HA ALA 29 -11.790 4.696 22.579
199 HB1 ALA 29 3HB ALA 29 -13.922 5.224 21.782
200 HB2 ALA 29 1HB ALA 29 -13.031 4.914 20.272
201 HB3 ALA 29 2HB ALA 29 -14.107 3.665 20.944
202 H MET 30 H MET 30 -13.213 1.576 21.363
203 HA MET 30 HA MET 30 -14.587 0.819 23.502
204 HB2 MET 30 1HB MET 30 -12.712 -0.815 21.713
205 HB3 MET 30 2HB MET 30 -13.807 -1.582 22.847
206 HG2 MET 30 1HG MET 30 -15.416 0.294 21.448
207 HG3 MET 30 2HG MET 30 -14.388 -0.416 20.219
208 HE1 MET 30 3HE MET 30 -14.841 -4.220 20.974
209 HE2 MET 30 1HE MET 30 -14.691 -3.242 19.494
210 HE3 MET 30 2HE MET 30 -13.612 -2.936 20.877
211 H ALA 31 H ALA 31 -11.050 0.084 23.038
212 HA ALA 31 HA ALA 31 -9.491 -0.555 24.486
213 HB1 ALA 31 3HB ALA 31 -10.975 1.577 26.062
214 HB2 ALA 31 1HB ALA 31 -9.434 0.869 26.603
215 HB3 ALA 31 2HB ALA 31 -9.511 1.768 25.068
216 H LYS 32 H LYS 32 -11.709 -2.334 24.353
217 HA LYS 32 HA LYS 32 -11.514 -3.459 27.030
218 HB2 LYS 32 1HB LYS 32 -13.870 -3.844 27.238
219 HB3 LYS 32 2HB LYS 32 -13.614 -2.131 26.970
220 HG2 LYS 32 1HG LYS 32 -13.910 -2.851 24.390
221 HG3 LYS 32 2HG LYS 32 -14.782 -4.193 25.104
222 HD2 LYS 32 1HD LYS 32 -15.840 -2.084 26.533
223 HD3 LYS 32 2HD LYS 32 -15.507 -1.300 25.002
224 HE2 LYS 32 1HE LYS 32 -16.911 -2.821 23.782
225 HE3 LYS 32 2HE LYS 32 -16.952 -3.975 25.100
226 HZ1 LYS 32 2HZ LYS 32 -18.024 -1.268 25.549
227 HZ3 LYS 32 1HZ LYS 32 -18.441 -2.658 26.287
228 H GLY 33 H GLY 33 -11.498 -5.730 27.050
229 HA2 GLY 33 1HA GLY 33 -11.802 -7.830 26.088
230 HA3 GLY 33 2HA GLY 33 -11.940 -7.103 24.500
Start of MODEL 18
1 HA ARG 1 HA ARG 1 4.917 15.742 -6.757
2 HE ARG 1 HE ARG 1 3.650 21.448 -7.612
3 H1 ARG 1 1H ARG 1 4.189 16.772 -9.245
4 HB2 ARG 1 1HB ARG 1 5.048 18.155 -6.082
5 HB3 ARG 1 2HB ARG 1 5.850 17.857 -7.611
6 HG2 ARG 1 1HG ARG 1 3.281 18.419 -8.468
7 HG3 ARG 1 2HG ARG 1 3.385 19.431 -7.040
8 HD2 ARG 1 1HD ARG 1 5.848 19.907 -8.236
9 HD3 ARG 1 2HD ARG 1 4.819 19.675 -9.635
10 HH11 ARG 1 2HH2 ARG 1 5.743 21.292 -10.466
11 HH12 ARG 1 1HH2 ARG 1 5.517 22.959 -10.877
12 HH21 ARG 1 1HH1 ARG 1 4.106 24.326 -9.503
13 H GLY 2 H GLY 2 2.606 14.507 -6.822
14 HA2 GLY 2 1HA GLY 2 0.651 16.201 -5.386
15 HA3 GLY 2 2HA GLY 2 0.235 14.855 -6.429
16 H LYS 3 H LYS 3 1.040 12.631 -5.784
17 HA LYS 3 HA LYS 3 0.433 12.191 -3.062
18 HB2 LYS 3 1HB LYS 3 1.455 10.385 -5.268
19 HB3 LYS 3 2HB LYS 3 1.067 9.811 -3.659
20 HG2 LYS 3 1HG LYS 3 -1.080 9.596 -4.370
21 HG3 LYS 3 2HG LYS 3 -1.180 11.345 -4.334
22 HD2 LYS 3 1HD LYS 3 -1.207 11.497 -6.608
23 HD3 LYS 3 2HD LYS 3 0.155 10.409 -6.779
24 HE2 LYS 3 1HE LYS 3 -1.412 8.456 -6.380
25 HE3 LYS 3 2HE LYS 3 -2.754 9.582 -6.341
26 HZ1 LYS 3 2HZ LYS 3 -1.196 10.039 -8.665
27 HZ3 LYS 3 1HZ LYS 3 -2.764 9.608 -8.574
28 H TRP 4 H TRP 4 1.836 11.174 -1.436
29 HA TRP 4 HA TRP 4 4.648 11.942 -1.837
30 HD1 TRP 4 HD1 TRP 4 0.941 12.982 -0.299
31 HE1 TRP 4 HE1 TRP 4 -0.635 12.300 1.705
32 HE3 TRP 4 HE3 TRP 4 4.643 11.195 2.694
33 HZ2 TRP 4 HZ2 TRP 4 -0.167 11.117 4.259
34 HZ3 TRP 4 HZ3 TRP 4 3.998 10.295 4.927
35 HH2 TRP 4 HH2 TRP 4 1.688 10.237 5.723
36 HB2 TRP 4 1HB TRP 4 4.687 12.348 0.633
37 HB3 TRP 4 2HB TRP 4 3.784 13.510 -0.320
38 H THR 5 H THR 5 5.778 10.707 0.356
39 HA THR 5 HA THR 5 4.768 7.993 0.514
40 HB THR 5 HB THR 5 7.525 8.654 -0.650
41 HG1 THR 5 HG1 THR 5 4.949 7.672 -1.646
42 HG21 THR 5 3HG2 THR 5 7.289 6.447 0.650
43 HG22 THR 5 1HG2 THR 5 6.021 5.993 -0.515
44 HG23 THR 5 2HG2 THR 5 7.690 6.261 -1.074
45 H TYR 6 H TYR 6 4.685 7.635 2.636
46 HA TYR 6 HA TYR 6 6.506 9.049 4.371
47 HD1 TYR 6 HD1 TYR 6 5.647 10.249 6.004
48 HD2 TYR 6 HD2 TYR 6 4.226 6.415 7.262
49 HE1 TYR 6 HE1 TYR 6 5.915 10.939 8.436
50 HE2 TYR 6 HE2 TYR 6 4.498 7.118 9.690
51 HH TYR 6 HH TYR 6 5.746 8.672 10.982
52 HB2 TYR 6 1HB TYR 6 3.926 8.426 4.596
53 HB3 TYR 6 2HB TYR 6 4.492 6.816 4.995
54 H ASN 7 H ASN 7 5.617 5.570 3.773
55 HA ASN 7 HA ASN 7 8.371 4.949 4.477
56 HB2 ASN 7 1HB ASN 7 6.424 4.403 6.247
57 HB3 ASN 7 2HB ASN 7 6.131 3.033 5.195
58 HD21 ASN 7 2HD2 ASN 7 8.967 2.832 7.962
59 HD22 ASN 7 1HD2 ASN 7 7.615 3.914 7.910
60 H GLY 8 H GLY 8 6.399 5.213 1.994
61 HA2 GLY 8 1HA GLY 8 6.826 4.203 -0.079
62 HA3 GLY 8 2HA GLY 8 7.268 2.710 0.724
63 H ILE 9 H ILE 9 4.374 4.863 1.148
64 HA ILE 9 HA ILE 9 2.732 2.513 0.504
65 HB ILE 9 HB ILE 9 1.977 4.843 2.265
66 HG12 ILE 9 1HG1 ILE 9 2.248 2.684 3.940
67 HG13 ILE 9 2HG1 ILE 9 3.599 2.450 2.849
68 HG21 ILE 9 1HG2 ILE 9 0.717 2.115 1.864
69 HG22 ILE 9 2HG2 ILE 9 0.169 3.370 3.002
70 HG23 ILE 9 3HG2 ILE 9 0.094 3.664 1.248
71 HD11 ILE 9 3HD1 ILE 9 3.758 5.171 3.312
72 HD12 ILE 9 1HD1 ILE 9 3.154 4.570 4.875
73 HD13 ILE 9 2HD1 ILE 9 4.678 3.937 4.206
74 H THR 10 H THR 10 3.692 5.741 -0.352
75 HA THR 10 HA THR 10 3.085 7.090 -2.012
76 HB THR 10 HB THR 10 1.870 4.445 -2.891
77 HG1 THR 10 HG1 THR 10 3.599 5.044 -4.560
78 HG21 THR 10 3HG2 THR 10 2.002 6.086 -5.158
79 HG22 THR 10 1HG2 THR 10 0.500 5.576 -4.350
80 HG23 THR 10 2HG2 THR 10 1.241 7.143 -3.944
81 H TYR 11 H TYR 11 1.877 7.736 0.240
82 HA TYR 11 HA TYR 11 -0.889 7.575 0.337
83 HD1 TYR 11 HD1 TYR 11 1.785 6.960 2.269
84 HD2 TYR 11 HD2 TYR 11 -1.509 9.451 3.386
85 HE1 TYR 11 HE1 TYR 11 1.505 5.636 4.422
86 HE2 TYR 11 HE2 TYR 11 -1.778 8.119 5.535
87 HH TYR 11 HH TYR 11 -1.263 5.947 6.380
88 HB2 TYR 11 1HB TYR 11 1.365 9.366 1.304
89 HB3 TYR 11 2HB TYR 11 -0.258 10.001 1.488
90 H GLU 12 H GLU 12 -2.577 8.715 -0.569
91 HA GLU 12 HA GLU 12 -1.762 10.713 -2.530
92 HE2 GLU 12 HE2 GLU 12 -6.921 8.029 -2.182
93 HB2 GLU 12 1HB GLU 12 -3.978 10.153 -3.646
94 HB3 GLU 12 2HB GLU 12 -2.791 8.864 -3.663
95 HG2 GLU 12 1HG GLU 12 -3.884 7.746 -1.770
96 HG3 GLU 12 2HG GLU 12 -4.979 9.096 -1.546
97 H GLY 13 H GLY 13 -1.788 11.856 -0.152
98 HA2 GLY 13 1HA GLY 13 -2.686 13.619 0.933
99 HA3 GLY 13 2HA GLY 13 -3.985 13.666 -0.242
100 H GLY 14 H GLY 14 -5.886 13.674 0.898
101 HA2 GLY 14 1HA GLY 14 -7.534 12.265 1.880
102 HA3 GLY 14 2HA GLY 14 -6.285 11.469 2.817
103 H GLY 15 H GLY 15 -8.828 13.543 3.116
104 HA2 GLY 15 1HA GLY 15 -7.749 14.676 5.584
105 HA3 GLY 15 2HA GLY 15 -8.316 15.804 4.369
106 H GLY 16 H GLY 16 -9.378 12.733 6.006
107 HA2 GLY 16 1HA GLY 16 -11.320 12.307 7.103
108 HA3 GLY 16 2HA GLY 16 -11.858 13.948 6.807
109 H SER 17 H SER 17 -12.586 10.776 6.162
110 HA SER 17 HA SER 17 -14.485 11.443 4.257
111 HG SER 17 HG SER 17 -14.069 10.152 1.446
112 HB2 SER 17 1HB SER 17 -12.028 11.199 3.035
113 HB3 SER 17 2HB SER 17 -12.617 9.553 2.912
114 H ALA 18 H ALA 18 -15.885 9.576 3.771
115 HA ALA 18 HA ALA 18 -16.350 7.880 5.792
116 HB1 ALA 18 3HB ALA 18 -17.678 8.310 3.644
117 HB2 ALA 18 1HB ALA 18 -16.663 7.060 2.885
118 HB3 ALA 18 2HB ALA 18 -17.705 6.642 4.266
119 H ALA 19 H ALA 19 -14.432 6.980 2.830
120 HA ALA 19 HA ALA 19 -13.661 4.500 3.491
121 HB1 ALA 19 3HB ALA 19 -12.368 6.789 2.051
122 HB2 ALA 19 1HB ALA 19 -11.369 5.357 2.398
123 HB3 ALA 19 2HB ALA 19 -12.862 5.191 1.443
124 H GLU 20 H GLU 20 -12.030 7.553 4.593
125 HA GLU 20 HA GLU 20 -10.294 6.071 6.274
126 HE2 GLU 20 HE2 GLU 20 -5.857 7.831 5.502
127 HB2 GLU 20 1HB GLU 20 -10.837 9.019 5.823
128 HB3 GLU 20 2HB GLU 20 -9.808 8.503 7.144
129 HG2 GLU 20 1HG GLU 20 -9.138 7.136 4.615
130 HG3 GLU 20 2HG GLU 20 -9.016 8.879 4.475
131 H ALA 21 H ALA 21 -12.575 5.040 7.093
132 HA ALA 21 HA ALA 21 -13.564 6.646 9.326
133 HB1 ALA 21 3HB ALA 21 -15.385 5.854 8.100
134 HB2 ALA 21 1HB ALA 21 -14.589 4.308 7.719
135 HB3 ALA 21 2HB ALA 21 -15.223 4.603 9.356
136 H TYR 22 H TYR 22 -12.505 3.242 8.594
137 HA TYR 22 HA TYR 22 -12.376 2.145 10.999
138 HD1 TYR 22 HD1 TYR 22 -10.434 3.339 7.327
139 HD2 TYR 22 HD2 TYR 22 -8.354 1.396 10.521
140 HE1 TYR 22 HE1 TYR 22 -8.237 4.316 6.501
141 HE2 TYR 22 HE2 TYR 22 -6.164 2.379 9.685
142 HH TYR 22 HH TYR 22 -6.113 4.790 7.179
143 HB2 TYR 22 1HB TYR 22 -10.631 0.794 10.006
144 HB3 TYR 22 2HB TYR 22 -11.458 1.463 8.613
145 H ALA 23 H ALA 23 -10.282 4.804 9.859
146 HA ALA 23 HA ALA 23 -8.193 4.751 11.534
147 HB1 ALA 23 3HB ALA 23 -9.110 6.529 9.795
148 HB2 ALA 23 1HB ALA 23 -9.720 7.330 11.263
149 HB3 ALA 23 2HB ALA 23 -7.978 7.018 11.078
150 H LYS 24 H LYS 24 -11.492 6.022 12.361
151 HA LYS 24 HA LYS 24 -11.005 6.820 14.916
152 HB2 LYS 24 1HB LYS 24 -13.375 6.543 15.302
153 HB3 LYS 24 2HB LYS 24 -13.110 7.157 13.683
154 HG2 LYS 24 1HG LYS 24 -13.117 4.557 13.038
155 HG3 LYS 24 2HG LYS 24 -13.998 4.399 14.544
156 HD2 LYS 24 1HD LYS 24 -14.938 6.618 12.786
157 HD3 LYS 24 2HD LYS 24 -15.153 5.014 12.112
158 HE2 LYS 24 1HE LYS 24 -16.243 4.336 14.339
159 HE3 LYS 24 2HE LYS 24 -16.205 6.028 14.792
160 HZ1 LYS 24 2HZ LYS 24 -17.969 4.715 12.950
161 HZ3 LYS 24 1HZ LYS 24 -17.320 6.060 12.299
162 H ARG 25 H ARG 25 -11.660 3.484 13.708
163 HA ARG 25 HA ARG 25 -11.704 2.362 16.254
164 HE ARG 25 HE ARG 25 -14.199 2.924 15.779
165 HB2 ARG 25 1HB ARG 25 -11.065 1.126 13.528
166 HB3 ARG 25 2HB ARG 25 -11.335 0.185 14.982
167 HG2 ARG 25 1HG ARG 25 -13.377 2.186 13.915
168 HG3 ARG 25 2HG ARG 25 -13.372 0.498 13.442
169 HD2 ARG 25 1HD ARG 25 -14.606 0.051 15.298
170 HD3 ARG 25 2HD ARG 25 -13.190 0.419 16.262
171 HH11 ARG 25 2HH2 ARG 25 -15.720 -0.048 16.965
172 HH12 ARG 25 1HH2 ARG 25 -16.911 0.788 17.903
173 HH21 ARG 25 1HH1 ARG 25 -16.922 3.185 17.919
174 H ILE 26 H ILE 26 -9.121 2.954 13.820
175 HA ILE 26 HA ILE 26 -7.111 1.408 14.859
176 HB ILE 26 HB ILE 26 -6.976 4.125 13.547
177 HG12 ILE 26 1HG1 ILE 26 -8.162 2.289 12.299
178 HG13 ILE 26 2HG1 ILE 26 -6.779 2.987 11.479
179 HG21 ILE 26 1HG2 ILE 26 -4.669 2.617 12.962
180 HG22 ILE 26 2HG2 ILE 26 -4.791 4.108 13.927
181 HG23 ILE 26 3HG2 ILE 26 -4.895 2.520 14.725
182 HD11 ILE 26 3HD1 ILE 26 -7.166 0.286 11.848
183 HD12 ILE 26 1HD1 ILE 26 -5.579 1.040 11.563
184 HD13 ILE 26 2HD1 ILE 26 -6.106 0.675 13.223
185 H ALA 27 H ALA 27 -7.720 4.918 15.604
186 HA ALA 27 HA ALA 27 -5.852 5.212 17.561
187 HB1 ALA 27 3HB ALA 27 -8.659 6.389 17.550
188 HB2 ALA 27 1HB ALA 27 -7.212 7.080 18.321
189 HB3 ALA 27 2HB ALA 27 -7.313 6.979 16.546
190 H GLU 28 H GLU 28 -9.302 4.147 17.982
191 HA GLU 28 HA GLU 28 -9.324 3.831 20.642
192 HE2 GLU 28 HE2 GLU 28 -14.521 2.916 19.214
193 HB2 GLU 28 1HB GLU 28 -10.588 2.127 18.463
194 HB3 GLU 28 2HB GLU 28 -10.944 1.871 20.160
195 HG2 GLU 28 1HG GLU 28 -11.218 4.652 19.854
196 HG3 GLU 28 2HG GLU 28 -11.870 4.016 18.357
197 H ALA 29 H ALA 29 -8.465 1.182 18.292
198 HA ALA 29 HA ALA 29 -7.703 -0.699 20.124
199 HB1 ALA 29 3HB ALA 29 -6.998 -0.052 17.278
200 HB2 ALA 29 1HB ALA 29 -6.044 -1.296 18.121
201 HB3 ALA 29 2HB ALA 29 -7.806 -1.487 17.954
202 H MET 30 H MET 30 -5.477 1.599 18.384
203 HA MET 30 HA MET 30 -3.179 1.035 19.533
204 HB2 MET 30 1HB MET 30 -4.436 3.790 19.058
205 HB3 MET 30 2HB MET 30 -2.737 3.595 19.441
206 HG2 MET 30 1HG MET 30 -2.994 1.769 17.393
207 HG3 MET 30 2HG MET 30 -4.198 2.949 16.915
208 HE1 MET 30 3HE MET 30 -0.788 1.847 17.057
209 HE2 MET 30 1HE MET 30 -1.120 2.315 15.372
210 HE3 MET 30 2HE MET 30 0.165 3.139 16.288
211 H ALA 31 H ALA 31 -5.598 3.311 21.022
212 HA ALA 31 HA ALA 31 -4.089 3.510 23.430
213 HB1 ALA 31 3HB ALA 31 -5.362 5.404 23.013
214 HB2 ALA 31 1HB ALA 31 -6.740 4.471 22.383
215 HB3 ALA 31 2HB ALA 31 -6.434 4.533 24.136
216 H LYS 32 H LYS 32 -3.810 1.133 23.779
217 HA LYS 32 HA LYS 32 -6.255 -0.098 24.828
218 HB2 LYS 32 1HB LYS 32 -5.175 -1.346 23.034
219 HB3 LYS 32 2HB LYS 32 -3.647 -1.331 23.892
220 HG2 LYS 32 1HG LYS 32 -5.497 -2.344 25.778
221 HG3 LYS 32 2HG LYS 32 -5.969 -3.092 24.265
222 HD2 LYS 32 1HD LYS 32 -3.843 -4.123 23.960
223 HD3 LYS 32 2HD LYS 32 -3.044 -3.029 25.071
224 HE2 LYS 32 1HE LYS 32 -3.286 -5.164 26.202
225 HE3 LYS 32 2HE LYS 32 -4.393 -4.039 26.965
226 HZ1 LYS 32 2HZ LYS 32 -6.208 -4.986 25.713
227 HZ3 LYS 32 1HZ LYS 32 -5.412 -6.227 26.406
228 H GLY 33 H GLY 33 -2.685 -0.047 25.534
229 HA2 GLY 33 1HA GLY 33 -2.303 1.076 27.796
230 HA3 GLY 33 2HA GLY 33 -3.374 -0.173 28.399
Start of MODEL 19
1 HA ARG 1 HA ARG 1 -5.656 6.900 4.588
2 HE ARG 1 HE ARG 1 -6.755 4.733 -0.302
3 H1 ARG 1 1H ARG 1 -6.175 8.838 2.826
4 HB2 ARG 1 1HB ARG 1 -6.391 5.284 2.769
5 HB3 ARG 1 2HB ARG 1 -7.444 6.673 2.950
6 HG2 ARG 1 1HG ARG 1 -5.834 7.742 1.099
7 HG3 ARG 1 2HG ARG 1 -5.468 6.065 0.744
8 HD2 ARG 1 1HD ARG 1 -8.375 6.606 1.057
9 HD3 ARG 1 2HD ARG 1 -7.639 7.477 -0.273
10 HH11 ARG 1 2HH2 ARG 1 -9.591 6.726 -1.033
11 HH12 ARG 1 1HH2 ARG 1 -10.219 5.621 -2.209
12 HH21 ARG 1 1HH1 ARG 1 -9.022 3.598 -2.676
13 H GLY 2 H GLY 2 -3.891 7.578 1.501
14 HA2 GLY 2 1HA GLY 2 -1.704 5.843 2.478
15 HA3 GLY 2 2HA GLY 2 -2.254 5.801 0.815
16 H LYS 3 H LYS 3 -0.794 6.817 -0.487
17 HA LYS 3 HA LYS 3 1.044 8.693 0.446
18 HB2 LYS 3 1HB LYS 3 1.625 8.983 -1.899
19 HB3 LYS 3 2HB LYS 3 1.407 7.286 -1.522
20 HG2 LYS 3 1HG LYS 3 -1.027 8.761 -2.481
21 HG3 LYS 3 2HG LYS 3 0.238 8.493 -3.665
22 HD2 LYS 3 1HD LYS 3 0.037 6.010 -2.366
23 HD3 LYS 3 2HD LYS 3 -1.626 6.556 -2.448
24 HE2 LYS 3 1HE LYS 3 -1.320 7.000 -4.920
25 HE3 LYS 3 2HE LYS 3 0.304 6.349 -4.809
26 HZ1 LYS 3 2HZ LYS 3 -2.245 4.903 -4.474
27 HZ3 LYS 3 1HZ LYS 3 -0.885 4.293 -3.819
28 H TRP 4 H TRP 4 1.091 10.885 -1.200
29 HA TRP 4 HA TRP 4 -1.497 12.154 -1.156
30 HD1 TRP 4 HD1 TRP 4 0.608 11.025 2.281
31 HE1 TRP 4 HE1 TRP 4 3.081 11.279 3.165
32 HE3 TRP 4 HE3 TRP 4 1.682 15.227 -0.373
33 HZ2 TRP 4 HZ2 TRP 4 5.163 13.166 2.665
34 HZ3 TRP 4 HZ3 TRP 4 3.958 16.212 -0.118
35 HH2 TRP 4 HH2 TRP 4 5.670 15.250 1.338
36 HB2 TRP 4 1HB TRP 4 -0.456 14.094 0.204
37 HB3 TRP 4 2HB TRP 4 -1.156 12.717 1.031
38 H THR 5 H THR 5 -0.788 14.745 -1.661
39 HA THR 5 HA THR 5 1.480 14.806 -3.456
40 HB THR 5 HB THR 5 -1.323 15.358 -4.540
41 HG1 THR 5 HG1 THR 5 -1.256 13.116 -4.156
42 HG21 THR 5 3HG2 THR 5 -0.268 15.260 -6.693
43 HG22 THR 5 1HG2 THR 5 0.850 16.234 -5.709
44 HG23 THR 5 2HG2 THR 5 1.206 14.519 -6.023
45 H TYR 6 H TYR 6 2.494 16.506 -2.556
46 HA TYR 6 HA TYR 6 0.853 18.798 -1.785
47 HD1 TYR 6 HD1 TYR 6 1.049 19.629 0.562
48 HD2 TYR 6 HD2 TYR 6 5.028 20.078 -0.945
49 HE1 TYR 6 HE1 TYR 6 1.285 21.825 1.821
50 HE2 TYR 6 HE2 TYR 6 5.251 22.273 0.319
51 HH TYR 6 HH TYR 6 2.601 23.446 2.375
52 HB2 TYR 6 1HB TYR 6 2.647 17.616 -0.312
53 HB3 TYR 6 2HB TYR 6 3.849 18.154 -1.468
54 H ASN 7 H ASN 7 4.068 18.227 -3.397
55 HA ASN 7 HA ASN 7 3.455 20.582 -4.998
56 HB2 ASN 7 1HB ASN 7 6.019 19.401 -3.906
57 HB3 ASN 7 2HB ASN 7 6.109 20.278 -5.420
58 HD21 ASN 7 2HD2 ASN 7 6.747 23.049 -3.344
59 HD22 ASN 7 1HD2 ASN 7 7.424 21.801 -4.336
60 H GLY 8 H GLY 8 2.219 18.241 -5.835
61 HA2 GLY 8 1HA GLY 8 1.974 16.883 -7.608
62 HA3 GLY 8 2HA GLY 8 3.192 17.838 -8.429
63 H ILE 9 H ILE 9 3.763 16.117 -5.335
64 HA ILE 9 HA ILE 9 5.363 14.154 -6.813
65 HB ILE 9 HB ILE 9 7.131 15.325 -6.108
66 HG12 ILE 9 1HG1 ILE 9 8.011 14.559 -3.949
67 HG13 ILE 9 2HG1 ILE 9 6.419 14.002 -3.473
68 HG21 ILE 9 1HG2 ILE 9 5.274 16.521 -4.069
69 HG22 ILE 9 2HG2 ILE 9 7.036 16.732 -3.928
70 HG23 ILE 9 3HG2 ILE 9 6.184 17.310 -5.380
71 HD11 ILE 9 3HD1 ILE 9 7.133 12.007 -4.346
72 HD12 ILE 9 1HD1 ILE 9 6.666 12.740 -5.900
73 HD13 ILE 9 2HD1 ILE 9 8.364 12.785 -5.370
74 H THR 10 H THR 10 4.872 12.086 -6.288
75 HA THR 10 HA THR 10 2.957 11.670 -4.160
76 HB THR 10 HB THR 10 4.095 10.140 -6.508
77 HG1 THR 10 HG1 THR 10 1.491 10.614 -5.233
78 HG21 THR 10 3HG2 THR 10 2.294 8.822 -4.436
79 HG22 THR 10 1HG2 THR 10 3.175 8.059 -5.782
80 HG23 THR 10 2HG2 THR 10 4.062 8.633 -4.349
81 H TYR 11 H TYR 11 3.487 11.318 -2.107
82 HA TYR 11 HA TYR 11 6.208 10.410 -1.558
83 HD1 TYR 11 HD1 TYR 11 7.037 12.244 1.414
84 HD2 TYR 11 HD2 TYR 11 4.628 13.494 -1.894
85 HE1 TYR 11 HE1 TYR 11 8.413 14.372 1.206
86 HE2 TYR 11 HE2 TYR 11 6.012 15.618 -2.090
87 HH TYR 11 HH TYR 11 8.767 16.181 0.085
88 HB2 TYR 11 1HB TYR 11 3.866 11.734 -0.096
89 HB3 TYR 11 2HB TYR 11 5.144 10.994 0.849
90 H GLU 12 H GLU 12 6.584 8.715 0.065
91 HA GLU 12 HA GLU 12 4.784 6.561 -0.378
92 HE2 GLU 12 HE2 GLU 12 6.254 2.375 -0.512
93 HB2 GLU 12 1HB GLU 12 7.510 6.945 0.729
94 HB3 GLU 12 2HB GLU 12 6.606 5.661 1.506
95 HG2 GLU 12 1HG GLU 12 6.083 5.326 -1.258
96 HG3 GLU 12 2HG GLU 12 7.786 5.732 -1.178
97 H GLY 13 H GLY 13 6.080 8.210 2.602
98 HA2 GLY 13 1HA GLY 13 3.969 8.877 3.990
99 HA3 GLY 13 2HA GLY 13 3.819 7.137 4.127
100 H GLY 14 H GLY 14 4.422 9.253 6.206
101 HA2 GLY 14 1HA GLY 14 7.183 8.787 6.950
102 HA3 GLY 14 2HA GLY 14 5.993 9.760 7.790
103 H GLY 15 H GLY 15 6.933 6.347 7.062
104 HA2 GLY 15 1HA GLY 15 7.222 4.804 8.839
105 HA3 GLY 15 2HA GLY 15 5.961 5.614 9.747
106 H GLY 16 H GLY 16 4.192 4.313 9.935
107 HA2 GLY 16 1HA GLY 16 3.343 2.833 7.516
108 HA3 GLY 16 2HA GLY 16 3.269 2.164 9.134
109 H SER 17 H SER 17 1.178 2.087 9.830
110 HA SER 17 HA SER 17 -0.798 3.709 8.745
111 HG SER 17 HG SER 17 -0.047 2.248 11.992
112 HB2 SER 17 1HB SER 17 -2.089 2.834 10.869
113 HB3 SER 17 2HB SER 17 -1.614 1.704 9.617
114 H ALA 18 H ALA 18 0.317 5.865 9.031
115 HA ALA 18 HA ALA 18 0.918 6.960 11.493
116 HB1 ALA 18 3HB ALA 18 1.354 8.807 10.244
117 HB2 ALA 18 1HB ALA 18 1.032 7.734 8.861
118 HB3 ALA 18 2HB ALA 18 -0.255 8.793 9.484
119 H ALA 19 H ALA 19 -2.190 6.962 9.633
120 HA ALA 19 HA ALA 19 -3.502 7.774 12.138
121 HB1 ALA 19 3HB ALA 19 -3.468 9.053 9.592
122 HB2 ALA 19 1HB ALA 19 -5.091 8.352 9.802
123 HB3 ALA 19 2HB ALA 19 -4.443 9.478 11.019
124 H GLU 20 H GLU 20 -2.866 5.242 10.043
125 HA GLU 20 HA GLU 20 -5.472 4.189 9.809
126 HE2 GLU 20 HE2 GLU 20 -3.640 0.949 6.629
127 HB2 GLU 20 1HB GLU 20 -2.752 3.474 8.994
128 HB3 GLU 20 2HB GLU 20 -3.626 2.063 9.557
129 HG2 GLU 20 1HG GLU 20 -5.323 3.758 7.858
130 HG3 GLU 20 2HG GLU 20 -3.856 3.290 7.022
131 H ALA 21 H ALA 21 -2.990 4.212 12.294
132 HA ALA 21 HA ALA 21 -3.454 1.872 13.635
133 HB1 ALA 21 3HB ALA 21 -2.781 4.678 14.582
134 HB2 ALA 21 1HB ALA 21 -2.796 3.272 15.674
135 HB3 ALA 21 2HB ALA 21 -1.670 3.317 14.296
136 H TYR 22 H TYR 22 -4.895 5.032 14.697
137 HA TYR 22 HA TYR 22 -6.855 3.881 16.269
138 HD1 TYR 22 HD1 TYR 22 -5.728 7.098 13.381
139 HD2 TYR 22 HD2 TYR 22 -9.536 6.486 15.234
140 HE1 TYR 22 HE1 TYR 22 -6.864 8.342 11.475
141 HE2 TYR 22 HE2 TYR 22 -10.658 7.731 13.322
142 HH TYR 22 HH TYR 22 -8.762 8.870 10.554
143 HB2 TYR 22 1HB TYR 22 -7.440 6.163 16.485
144 HB3 TYR 22 2HB TYR 22 -5.885 6.375 15.704
145 H ALA 23 H ALA 23 -6.942 4.879 12.796
146 HA ALA 23 HA ALA 23 -9.541 4.716 12.201
147 HB1 ALA 23 3HB ALA 23 -8.833 4.515 10.028
148 HB2 ALA 23 1HB ALA 23 -7.255 4.859 10.776
149 HB3 ALA 23 2HB ALA 23 -7.714 3.181 10.401
150 H LYS 24 H LYS 24 -7.439 2.059 13.248
151 HA LYS 24 HA LYS 24 -9.258 0.014 12.441
152 HB2 LYS 24 1HB LYS 24 -6.601 0.087 13.060
153 HB3 LYS 24 2HB LYS 24 -7.260 -0.567 14.546
154 HG2 LYS 24 1HG LYS 24 -8.677 -2.043 12.720
155 HG3 LYS 24 2HG LYS 24 -7.211 -1.761 11.802
156 HD2 LYS 24 1HD LYS 24 -7.160 -2.793 14.671
157 HD3 LYS 24 2HD LYS 24 -7.256 -3.870 13.292
158 HE2 LYS 24 1HE LYS 24 -5.152 -2.546 12.404
159 HE3 LYS 24 2HE LYS 24 -4.992 -1.997 14.061
160 HZ1 LYS 24 2HZ LYS 24 -4.668 -4.196 14.806
161 HZ3 LYS 24 1HZ LYS 24 -3.810 -4.158 13.422
162 H ARG 25 H ARG 25 -8.313 1.504 15.616
163 HA ARG 25 HA ARG 25 -10.095 0.069 17.114
164 HE ARG 25 HE ARG 25 -11.897 3.699 17.632
165 HB2 ARG 25 1HB ARG 25 -9.659 1.667 18.858
166 HB3 ARG 25 2HB ARG 25 -8.195 1.627 17.895
167 HG2 ARG 25 1HG ARG 25 -8.383 3.852 17.520
168 HG3 ARG 25 2HG ARG 25 -9.899 3.583 16.683
169 HD2 ARG 25 1HD ARG 25 -9.987 3.544 19.691
170 HD3 ARG 25 2HD ARG 25 -9.722 5.099 18.928
171 HH11 ARG 25 2HH2 ARG 25 -11.120 5.550 20.551
172 HH12 ARG 25 1HH2 ARG 25 -12.751 6.076 20.802
173 HH21 ARG 25 1HH1 ARG 25 -14.457 5.383 19.268
174 H ILE 26 H ILE 26 -10.597 2.713 14.863
175 HA ILE 26 HA ILE 26 -12.900 3.855 15.915
176 HB ILE 26 HB ILE 26 -11.892 3.548 13.090
177 HG12 ILE 26 1HG1 ILE 26 -10.486 4.840 14.685
178 HG13 ILE 26 2HG1 ILE 26 -11.081 5.786 13.335
179 HG21 ILE 26 1HG2 ILE 26 -13.928 4.143 12.403
180 HG22 ILE 26 2HG2 ILE 26 -14.471 4.526 14.054
181 HG23 ILE 26 3HG2 ILE 26 -13.575 5.739 13.108
182 HD11 ILE 26 3HD1 ILE 26 -13.027 6.513 14.862
183 HD12 ILE 26 1HD1 ILE 26 -12.103 5.792 16.201
184 HD13 ILE 26 2HD1 ILE 26 -11.418 7.150 15.277
185 H ALA 27 H ALA 27 -12.572 1.231 13.418
186 HA ALA 27 HA ALA 27 -15.270 0.698 13.189
187 HB1 ALA 27 3HB ALA 27 -13.618 -1.695 12.986
188 HB2 ALA 27 1HB ALA 27 -14.468 -0.794 11.708
189 HB3 ALA 27 2HB ALA 27 -12.832 -0.301 12.206
190 H GLU 28 H GLU 28 -12.797 -0.889 15.329
191 HA GLU 28 HA GLU 28 -14.377 -2.693 16.526
192 HE2 GLU 28 HE2 GLU 28 -9.686 -5.095 18.127
193 HB2 GLU 28 1HB GLU 28 -12.142 -0.984 17.683
194 HB3 GLU 28 2HB GLU 28 -12.873 -2.293 18.591
195 HG2 GLU 28 1HG GLU 28 -12.357 -3.491 16.120
196 HG3 GLU 28 2HG GLU 28 -10.991 -2.409 16.306
197 H ALA 29 H ALA 29 -13.795 0.676 17.787
198 HA ALA 29 HA ALA 29 -15.432 0.700 19.910
199 HB1 ALA 29 3HB ALA 29 -15.142 2.868 17.790
200 HB2 ALA 29 1HB ALA 29 -15.720 3.119 19.454
201 HB3 ALA 29 2HB ALA 29 -14.045 2.590 19.164
202 H MET 30 H MET 30 -16.542 1.683 16.584
203 HA MET 30 HA MET 30 -19.150 1.946 17.101
204 HB2 MET 30 1HB MET 30 -17.801 0.647 14.670
205 HB3 MET 30 2HB MET 30 -19.468 1.188 14.665
206 HG2 MET 30 1HG MET 30 -17.868 3.359 15.684
207 HG3 MET 30 2HG MET 30 -17.071 2.755 14.245
208 HE1 MET 30 3HE MET 30 -19.784 5.922 13.818
209 HE2 MET 30 1HE MET 30 -19.382 5.286 15.431
210 HE3 MET 30 2HE MET 30 -18.086 5.619 14.257
211 H ALA 31 H ALA 31 -17.459 -1.156 16.285
212 HA ALA 31 HA ALA 31 -19.917 -2.580 16.993
213 HB1 ALA 31 3HB ALA 31 -19.031 -4.405 15.732
214 HB2 ALA 31 1HB ALA 31 -18.706 -2.944 14.769
215 HB3 ALA 31 2HB ALA 31 -17.399 -3.696 15.714
216 H LYS 32 H LYS 32 -19.676 -2.173 19.304
217 HA LYS 32 HA LYS 32 -17.551 -3.844 20.454
218 HB2 LYS 32 1HB LYS 32 -18.190 -1.035 20.925
219 HB3 LYS 32 2HB LYS 32 -18.249 -1.973 22.404
220 HG2 LYS 32 1HG LYS 32 -15.922 -2.158 20.441
221 HG3 LYS 32 2HG LYS 32 -15.951 -1.002 21.759
222 HD2 LYS 32 1HD LYS 32 -16.359 -2.996 23.341
223 HD3 LYS 32 2HD LYS 32 -16.015 -4.044 21.980
224 HE2 LYS 32 1HE LYS 32 -14.102 -1.891 23.002
225 HE3 LYS 32 2HE LYS 32 -14.006 -3.581 23.454
226 HZ1 LYS 32 2HZ LYS 32 -12.566 -3.369 21.626
227 HZ3 LYS 32 1HZ LYS 32 -13.573 -2.414 20.774
228 H GLY 33 H GLY 33 -18.178 -4.630 22.732
229 HA2 GLY 33 1HA GLY 33 -20.514 -4.721 23.952
230 HA3 GLY 33 2HA GLY 33 -20.892 -5.693 22.544
Start of MODEL 20
1 HA ARG 1 HA ARG 1 -3.600 8.866 -10.425
2 HE ARG 1 HE ARG 1 -8.287 10.931 -9.582
3 H1 ARG 1 1H ARG 1 -3.922 10.086 -7.938
4 HB2 ARG 1 1HB ARG 1 -3.713 11.736 -9.441
5 HB3 ARG 1 2HB ARG 1 -3.313 11.420 -11.117
6 HG2 ARG 1 1HG ARG 1 -5.566 11.380 -11.467
7 HG3 ARG 1 2HG ARG 1 -5.510 9.771 -10.774
8 HD2 ARG 1 1HD ARG 1 -6.200 10.537 -8.618
9 HD3 ARG 1 2HD ARG 1 -5.767 12.199 -8.965
10 HH11 ARG 1 2HH2 ARG 1 -6.013 13.338 -10.842
11 HH12 ARG 1 1HH2 ARG 1 -7.226 14.206 -11.722
12 HH21 ARG 1 1HH1 ARG 1 -9.498 13.446 -11.649
13 H GLY 2 H GLY 2 -1.504 11.136 -8.499
14 HA2 GLY 2 1HA GLY 2 0.878 9.858 -9.554
15 HA3 GLY 2 2HA GLY 2 0.631 11.514 -10.073
16 H LYS 3 H LYS 3 2.830 10.602 -8.420
17 HA LYS 3 HA LYS 3 2.447 10.940 -5.712
18 HB2 LYS 3 1HB LYS 3 4.811 11.195 -5.570
19 HB3 LYS 3 2HB LYS 3 4.485 10.057 -6.861
20 HG2 LYS 3 1HG LYS 3 4.633 12.932 -7.683
21 HG3 LYS 3 2HG LYS 3 6.138 12.227 -7.126
22 HD2 LYS 3 1HD LYS 3 4.712 10.399 -8.933
23 HD3 LYS 3 2HD LYS 3 4.993 11.952 -9.695
24 HE2 LYS 3 1HE LYS 3 7.429 11.384 -8.380
25 HE3 LYS 3 2HE LYS 3 6.921 9.835 -9.022
26 HZ1 LYS 3 2HZ LYS 3 8.154 11.748 -10.476
27 HZ3 LYS 3 1HZ LYS 3 6.602 12.015 -10.890
28 H TRP 4 H TRP 4 2.875 12.767 -4.282
29 HA TRP 4 HA TRP 4 2.192 15.303 -5.602
30 HD1 TRP 4 HD1 TRP 4 0.406 12.401 -4.833
31 HE1 TRP 4 HE1 TRP 4 -0.255 10.492 -3.136
32 HE3 TRP 4 HE3 TRP 4 1.456 15.055 -0.624
33 HZ2 TRP 4 HZ2 TRP 4 -0.265 10.309 -0.288
34 HZ3 TRP 4 HZ3 TRP 4 1.093 13.937 1.574
35 HH2 TRP 4 HH2 TRP 4 0.264 11.648 1.783
36 HB2 TRP 4 1HB TRP 4 1.660 15.572 -2.889
37 HB3 TRP 4 2HB TRP 4 0.501 15.397 -4.192
38 H THR 5 H THR 5 4.635 13.446 -4.098
39 HA THR 5 HA THR 5 6.655 13.914 -3.297
40 HB THR 5 HB THR 5 6.113 16.559 -4.745
41 HG1 THR 5 HG1 THR 5 6.080 14.357 -5.848
42 HG21 THR 5 3HG2 THR 5 8.875 15.525 -4.650
43 HG22 THR 5 1HG2 THR 5 8.285 17.177 -4.350
44 HG23 THR 5 2HG2 THR 5 8.277 15.977 -3.035
45 H TYR 6 H TYR 6 4.909 13.888 -1.323
46 HA TYR 6 HA TYR 6 4.912 16.399 0.090
47 HD1 TYR 6 HD1 TYR 6 2.459 16.706 -0.028
48 HD2 TYR 6 HD2 TYR 6 3.278 14.263 3.388
49 HE1 TYR 6 HE1 TYR 6 0.878 18.122 1.372
50 HE2 TYR 6 HE2 TYR 6 1.694 15.687 4.776
51 HH TYR 6 HH TYR 6 0.905 18.300 4.491
52 HB2 TYR 6 1HB TYR 6 3.349 14.091 -0.053
53 HB3 TYR 6 2HB TYR 6 4.295 13.738 1.379
54 H ASN 7 H ASN 7 5.903 16.759 2.174
55 HA ASN 7 HA ASN 7 7.643 16.818 3.473
56 HB2 ASN 7 1HB ASN 7 6.891 13.915 3.372
57 HB3 ASN 7 2HB ASN 7 8.474 14.248 4.046
58 HD21 ASN 7 2HD2 ASN 7 5.032 15.659 5.884
59 HD22 ASN 7 1HD2 ASN 7 5.085 15.301 4.190
60 H GLY 8 H GLY 8 8.080 16.616 0.464
61 HA2 GLY 8 1HA GLY 8 9.853 16.645 -0.923
62 HA3 GLY 8 2HA GLY 8 10.909 16.454 0.463
63 H ILE 9 H ILE 9 8.249 14.223 -0.508
64 HA ILE 9 HA ILE 9 10.172 12.339 -1.567
65 HB ILE 9 HB ILE 9 9.808 10.622 -0.042
66 HG12 ILE 9 1HG1 ILE 9 8.060 11.622 1.953
67 HG13 ILE 9 2HG1 ILE 9 7.279 11.929 0.414
68 HG21 ILE 9 1HG2 ILE 9 10.032 13.175 1.578
69 HG22 ILE 9 2HG2 ILE 9 10.487 11.543 2.126
70 HG23 ILE 9 3HG2 ILE 9 11.366 12.308 0.781
71 HD11 ILE 9 3HD1 ILE 9 6.588 9.729 0.943
72 HD12 ILE 9 1HD1 ILE 9 7.941 9.465 -0.183
73 HD13 ILE 9 2HD1 ILE 9 8.192 9.277 1.569
74 H THR 10 H THR 10 9.241 10.911 -3.052
75 HA THR 10 HA THR 10 6.599 11.681 -3.925
76 HB THR 10 HB THR 10 8.959 10.114 -4.952
77 HG1 THR 10 HG1 THR 10 8.344 12.433 -5.369
78 HG21 THR 10 3HG2 THR 10 6.989 9.873 -6.936
79 HG22 THR 10 1HG2 THR 10 7.628 8.533 -5.954
80 HG23 THR 10 2HG2 THR 10 6.139 9.372 -5.455
81 H TYR 11 H TYR 11 4.750 10.809 -3.256
82 HA TYR 11 HA TYR 11 4.877 8.358 -1.719
83 HD1 TYR 11 HD1 TYR 11 5.380 10.883 -0.794
84 HD2 TYR 11 HD2 TYR 11 1.471 9.552 0.326
85 HE1 TYR 11 HE1 TYR 11 5.802 11.633 1.598
86 HE2 TYR 11 HE2 TYR 11 1.907 10.306 2.715
87 HH TYR 11 HH TYR 11 3.639 10.784 4.161
88 HB2 TYR 11 1HB TYR 11 2.930 10.597 -2.422
89 HB3 TYR 11 2HB TYR 11 2.250 9.096 -1.827
90 H GLU 12 H GLU 12 3.269 6.593 -2.119
91 HA GLU 12 HA GLU 12 3.137 6.139 -4.978
92 HE2 GLU 12 HE2 GLU 12 2.091 2.157 -6.485
93 HB2 GLU 12 1HB GLU 12 3.990 4.156 -4.276
94 HB3 GLU 12 2HB GLU 12 3.555 4.461 -2.606
95 HG2 GLU 12 1HG GLU 12 2.334 2.492 -3.415
96 HG3 GLU 12 2HG GLU 12 1.197 3.786 -3.093
97 H GLY 13 H GLY 13 1.108 5.935 -1.979
98 HA2 GLY 13 1HA GLY 13 -1.212 6.812 -3.447
99 HA3 GLY 13 2HA GLY 13 -1.283 5.127 -2.970
100 H GLY 14 H GLY 14 -0.765 4.642 -0.577
101 HA2 GLY 14 1HA GLY 14 -0.596 6.255 1.516
102 HA3 GLY 14 2HA GLY 14 -2.258 6.551 1.045
103 H GLY 15 H GLY 15 -2.187 5.546 3.467
104 HA2 GLY 15 1HA GLY 15 -3.118 2.798 3.128
105 HA3 GLY 15 2HA GLY 15 -1.768 3.050 4.217
106 H GLY 16 H GLY 16 -2.061 4.743 5.991
107 HA2 GLY 16 1HA GLY 16 -4.716 4.396 7.149
108 HA3 GLY 16 2HA GLY 16 -3.263 4.959 7.951
109 H SER 17 H SER 17 -5.682 6.319 8.329
110 HA SER 17 HA SER 17 -4.905 8.893 7.500
111 HG SER 17 HG SER 17 -6.636 9.542 4.609
112 HB2 SER 17 1HB SER 17 -6.601 7.514 5.691
113 HB3 SER 17 2HB SER 17 -7.655 8.620 6.550
114 H ALA 18 H ALA 18 -6.626 10.568 8.325
115 HA ALA 18 HA ALA 18 -7.059 10.287 10.960
116 HB1 ALA 18 3HB ALA 18 -8.223 11.909 8.762
117 HB2 ALA 18 1HB ALA 18 -9.201 11.831 10.247
118 HB3 ALA 18 2HB ALA 18 -7.523 12.421 10.316
119 H ALA 19 H ALA 19 -9.489 9.519 8.366
120 HA ALA 19 HA ALA 19 -11.483 8.606 10.025
121 HB1 ALA 19 3HB ALA 19 -10.703 8.385 7.187
122 HB2 ALA 19 1HB ALA 19 -11.692 7.024 7.770
123 HB3 ALA 19 2HB ALA 19 -12.299 8.691 7.914
124 H GLU 20 H GLU 20 -8.863 6.684 8.391
125 HA GLU 20 HA GLU 20 -9.537 4.493 10.153
126 HE2 GLU 20 HE2 GLU 20 -7.681 0.893 7.508
127 HB2 GLU 20 1HB GLU 20 -8.090 4.788 7.548
128 HB3 GLU 20 2HB GLU 20 -7.532 3.504 8.601
129 HG2 GLU 20 1HG GLU 20 -10.442 3.510 8.556
130 HG3 GLU 20 2HG GLU 20 -9.840 3.501 6.910
131 H ALA 21 H ALA 21 -8.507 6.631 11.584
132 HA ALA 21 HA ALA 21 -5.811 5.653 12.222
133 HB1 ALA 21 3HB ALA 21 -5.428 7.736 11.153
134 HB2 ALA 21 1HB ALA 21 -6.838 8.492 11.934
135 HB3 ALA 21 2HB ALA 21 -5.389 8.106 12.894
136 H TYR 22 H TYR 22 -8.677 7.561 13.383
137 HA TYR 22 HA TYR 22 -8.040 6.748 16.106
138 HD1 TYR 22 HD1 TYR 22 -10.264 9.653 13.319
139 HD2 TYR 22 HD2 TYR 22 -11.733 7.347 16.609
140 HE1 TYR 22 HE1 TYR 22 -12.630 9.851 12.411
141 HE2 TYR 22 HE2 TYR 22 -14.094 7.553 15.690
142 HH TYR 22 HH TYR 22 -15.354 8.992 14.276
143 HB2 TYR 22 1HB TYR 22 -9.451 8.608 16.629
144 HB3 TYR 22 2HB TYR 22 -8.809 9.107 15.077
145 H ALA 23 H ALA 23 -10.592 6.402 13.581
146 HA ALA 23 HA ALA 23 -12.522 5.161 15.089
147 HB1 ALA 23 3HB ALA 23 -12.483 5.955 12.615
148 HB2 ALA 23 1HB ALA 23 -11.851 4.330 12.257
149 HB3 ALA 23 2HB ALA 23 -13.448 4.515 13.020
150 H LYS 24 H LYS 24 -9.717 3.688 13.320
151 HA LYS 24 HA LYS 24 -10.167 1.074 13.731
152 HB2 LYS 24 1HB LYS 24 -8.149 2.416 12.697
153 HB3 LYS 24 2HB LYS 24 -7.417 2.152 14.267
154 HG2 LYS 24 1HG LYS 24 -7.343 -0.178 14.007
155 HG3 LYS 24 2HG LYS 24 -8.712 -0.211 12.914
156 HD2 LYS 24 1HD LYS 24 -7.415 0.478 11.049
157 HD3 LYS 24 2HD LYS 24 -6.155 1.169 12.052
158 HE2 LYS 24 1HE LYS 24 -5.005 -0.785 12.011
159 HE3 LYS 24 2HE LYS 24 -6.366 -1.632 12.719
160 HZ1 LYS 24 2HZ LYS 24 -7.311 -1.740 10.403
161 HZ3 LYS 24 1HZ LYS 24 -5.940 -2.599 10.590
162 H ARG 25 H ARG 25 -8.772 3.385 16.142
163 HA ARG 25 HA ARG 25 -8.464 1.423 18.094
164 HE ARG 25 HE ARG 25 -6.709 1.853 16.211
165 HB2 ARG 25 1HB ARG 25 -8.800 4.452 18.390
166 HB3 ARG 25 2HB ARG 25 -8.212 3.387 19.653
167 HG2 ARG 25 1HG ARG 25 -6.886 3.886 16.947
168 HG3 ARG 25 2HG ARG 25 -6.310 4.450 18.503
169 HD2 ARG 25 1HD ARG 25 -5.026 2.542 18.433
170 HD3 ARG 25 2HD ARG 25 -6.479 1.774 19.040
171 HH11 ARG 25 2HH2 ARG 25 -4.645 0.315 18.646
172 HH12 ARG 25 1HH2 ARG 25 -4.283 -1.057 17.653
173 HH21 ARG 25 1HH1 ARG 25 -5.227 -1.195 15.454
174 H ILE 26 H ILE 26 -11.062 3.813 17.326
175 HA ILE 26 HA ILE 26 -12.642 3.591 19.521
176 HB ILE 26 HB ILE 26 -13.410 3.823 16.612
177 HG12 ILE 26 1HG1 ILE 26 -11.861 5.550 17.682
178 HG13 ILE 26 2HG1 ILE 26 -13.301 6.143 16.877
179 HG21 ILE 26 1HG2 ILE 26 -15.067 3.681 19.048
180 HG22 ILE 26 2HG2 ILE 26 -15.412 5.060 17.976
181 HG23 ILE 26 3HG2 ILE 26 -15.491 3.399 17.342
182 HD11 ILE 26 3HD1 ILE 26 -14.445 6.529 18.951
183 HD12 ILE 26 1HD1 ILE 26 -13.264 5.561 19.865
184 HD13 ILE 26 2HD1 ILE 26 -12.791 7.141 19.196
185 H ALA 27 H ALA 27 -12.859 1.494 16.557
186 HA ALA 27 HA ALA 27 -14.784 -0.217 17.425
187 HB1 ALA 27 3HB ALA 27 -12.304 -1.106 15.917
188 HB2 ALA 27 1HB ALA 27 -13.971 -1.708 15.754
189 HB3 ALA 27 2HB ALA 27 -13.554 -0.077 15.177
190 H GLU 28 H GLU 28 -11.199 -0.557 17.925
191 HA GLU 28 HA GLU 28 -11.221 -2.864 19.314
192 HE2 GLU 28 HE2 GLU 28 -6.799 -2.548 20.377
193 HB2 GLU 28 1HB GLU 28 -9.481 -0.391 19.653
194 HB3 GLU 28 2HB GLU 28 -9.147 -1.890 20.495
195 HG2 GLU 28 1HG GLU 28 -9.599 -2.630 17.781
196 HG3 GLU 28 2HG GLU 28 -8.605 -1.188 17.713
197 H ALA 29 H ALA 29 -11.292 0.456 20.817
198 HA ALA 29 HA ALA 29 -11.612 -0.253 23.409
199 HB1 ALA 29 3HB ALA 29 -12.843 1.935 23.617
200 HB2 ALA 29 1HB ALA 29 -11.324 2.044 22.696
201 HB3 ALA 29 2HB ALA 29 -12.884 2.023 21.840
202 H MET 30 H MET 30 -14.385 0.512 21.176
203 HA MET 30 HA MET 30 -16.420 -0.139 22.730
204 HB2 MET 30 1HB MET 30 -15.940 -0.843 19.787
205 HB3 MET 30 2HB MET 30 -17.513 -1.026 20.538
206 HG2 MET 30 1HG MET 30 -16.372 1.620 21.116
207 HG3 MET 30 2HG MET 30 -16.455 1.334 19.390
208 HE1 MET 30 3HE MET 30 -19.653 2.665 22.061
209 HE2 MET 30 1HE MET 30 -17.891 2.552 22.287
210 HE3 MET 30 2HE MET 30 -18.561 3.613 21.024
211 H ALA 31 H ALA 31 -14.655 -2.565 20.668
212 HA ALA 31 HA ALA 31 -16.067 -4.741 21.856
213 HB1 ALA 31 3HB ALA 31 -14.205 -4.244 19.664
214 HB2 ALA 31 1HB ALA 31 -13.764 -5.710 20.572
215 HB3 ALA 31 2HB ALA 31 -15.391 -5.555 19.868
216 H LYS 32 H LYS 32 -15.754 -5.240 23.975
217 HA LYS 32 HA LYS 32 -12.975 -5.165 24.929
218 HB2 LYS 32 1HB LYS 32 -15.174 -3.778 25.917
219 HB3 LYS 32 2HB LYS 32 -15.047 -5.153 26.994
220 HG2 LYS 32 1HG LYS 32 -12.872 -4.576 27.708
221 HG3 LYS 32 2HG LYS 32 -12.527 -3.653 26.259
222 HD2 LYS 32 1HD LYS 32 -12.914 -1.885 27.702
223 HD3 LYS 32 2HD LYS 32 -14.560 -2.137 27.158
224 HE2 LYS 32 1HE LYS 32 -14.178 -3.969 29.311
225 HE3 LYS 32 2HE LYS 32 -13.444 -2.467 29.836
226 HZ1 LYS 32 2HZ LYS 32 -15.646 -2.115 30.386
227 HZ3 LYS 32 1HZ LYS 32 -16.250 -2.969 29.138
228 H GLY 33 H GLY 33 -12.070 -7.071 25.527
229 HA2 GLY 33 1HA GLY 33 -12.126 -9.160 26.577
230 HA3 GLY 33 2HA GLY 33 -13.844 -9.290 26.262
Contact the webmaster for help, if required. Wednesday, May 15, 2024 6:48:36 PM GMT (wattos1)