Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
497498 | 2l64 RC | 17297 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H1 HIS 1 -2.117 -19.970 3.086
2 HA HIS 1 HA HIS 1 -0.595 -21.262 1.656
3 HB2 HIS 1 HB2 HIS 1 -0.484 -23.134 4.116
4 HB3 HIS 1 HB3 HIS 1 0.375 -23.372 2.571
5 HD1 HIS 1 HD1 HIS 1 0.489 -21.406 5.726
6 HD2 HIS 1 HD2 HIS 1 2.482 -21.633 2.029
7 HE1 HIS 1 HE1 HIS 1 2.621 -20.084 6.022
8 H ALA 2 H ALA 2 -1.267 -23.329 0.494
9 HA ALA 2 HA ALA 2 -3.425 -24.931 1.455
10 HB1 ALA 2 HB1 ALA 2 -4.280 -22.661 -0.457
11 HB2 ALA 2 HB2 ALA 2 -5.208 -24.174 -0.231
12 HB3 ALA 2 HB3 ALA 2 -4.972 -23.053 1.131
13 H ASP 3 H ASP 3 -2.505 -23.464 -1.771
14 HA ASP 3 HA ASP 3 -1.225 -26.016 -2.514
15 HB2 ASP 3 HB2 ASP 3 -3.725 -24.944 -3.962
16 HB3 ASP 3 HB3 ASP 3 -2.581 -26.108 -4.680
17 H GLY 4 H GLY 4 -2.445 -22.966 -4.240
18 HA2 GLY 4 HA2 GLY 4 0.193 -22.727 -5.504
19 HA3 GLY 4 HA3 GLY 4 -1.181 -21.613 -5.662
20 H SER 5 H SER 5 -1.313 -21.539 -2.453
21 HA SER 5 HA SER 5 -0.629 -19.950 -0.951
22 HB2 SER 5 HB2 SER 5 1.351 -21.495 -0.848
23 HB3 SER 5 HB3 SER 5 2.160 -20.512 -2.096
24 HG SER 5 HG SER 5 1.369 -19.494 0.474
25 H PHE 6 H PHE 6 -1.755 -19.016 -3.402
26 HA PHE 6 HA PHE 6 -0.108 -16.670 -4.111
27 HB2 PHE 6 HB2 PHE 6 -1.764 -16.159 -5.782
28 HB3 PHE 6 HB3 PHE 6 -1.370 -17.888 -5.888
29 HD1 PHE 6 HD2 PHE 6 -3.922 -15.391 -4.780
30 HD2 PHE 6 HD1 PHE 6 -3.127 -19.577 -5.414
31 HE1 PHE 6 HE2 PHE 6 -6.319 -15.897 -4.461
32 HE2 PHE 6 HE1 PHE 6 -5.520 -20.079 -5.066
33 HZ PHE 6 HZ PHE 6 -7.126 -18.244 -4.597
34 H SER 7 H SER 7 -3.115 -17.501 -2.181
35 HA SER 7 HA SER 7 -4.202 -14.999 -1.948
36 HB2 SER 7 HB2 SER 7 -5.213 -16.979 -0.884
37 HB3 SER 7 HB3 SER 7 -3.896 -17.066 0.318
38 HG SER 7 HG SER 7 -4.699 -14.950 1.082
39 H ASP 8 H ASP 8 -1.401 -16.306 0.050
40 HA ASP 8 HA ASP 8 -1.247 -14.151 1.806
41 HB2 ASP 8 HB2 ASP 8 1.090 -15.780 0.633
42 HB3 ASP 8 HB3 ASP 8 1.244 -14.629 1.985
43 H GLU 9 H GLU 9 0.662 -14.395 -1.349
44 HA GLU 9 HA GLU 9 1.570 -11.725 -1.065
45 HB2 GLU 9 HB2 GLU 9 2.185 -11.689 -3.424
46 HB3 GLU 9 HB3 GLU 9 2.712 -13.202 -2.637
47 HG2 GLU 9 HG2 GLU 9 0.854 -14.446 -3.733
48 HG3 GLU 9 HG3 GLU 9 0.197 -12.930 -4.418
49 H MET 10 H MET 10 -1.473 -13.066 -2.491
50 HA MET 10 HA MET 10 -2.207 -10.700 -3.833
51 HB2 MET 10 HB2 MET 10 -3.312 -13.020 -4.014
52 HB3 MET 10 HB3 MET 10 -4.212 -12.619 -2.519
53 HG2 MET 10 HG2 MET 10 -5.292 -10.680 -3.709
54 HG3 MET 10 HG3 MET 10 -4.261 -10.984 -5.148
55 HE1 MET 10 HE1 MET 10 -7.718 -11.135 -5.443
56 HE2 MET 10 HE2 MET 10 -6.337 -10.959 -6.579
57 HE3 MET 10 HE3 MET 10 -7.465 -12.341 -6.747
58 H ASN 11 H ASN 11 -2.393 -11.584 -0.332
59 HA ASN 11 HA ASN 11 -4.159 -9.313 0.245
60 HB2 ASN 11 HB2 ASN 11 -2.487 -10.915 2.249
61 HB3 ASN 11 HB3 ASN 11 -3.986 -10.007 2.561
62 HD21 ASN 11 HD21 ASN 11 -5.816 -10.960 0.580
63 HD22 ASN 11 HD22 ASN 11 -5.958 -12.665 0.734
64 H THR 12 H THR 12 -0.562 -10.042 0.530
65 HA THR 12 HA THR 12 -0.053 -7.662 2.006
66 HB THR 12 HB THR 12 2.308 -7.812 1.151
67 HG1 THR 12 HG1 THR 12 2.756 -9.619 -0.312
68 HG21 THR 12 HG21 THR 12 1.641 -9.146 3.179
69 HG22 THR 12 HG22 THR 12 2.877 -10.001 2.220
70 HG23 THR 12 HG23 THR 12 1.175 -10.521 2.143
71 H ILE 13 H ILE 13 -0.248 -8.268 -1.615
72 HA ILE 13 HA ILE 13 0.775 -5.692 -2.213
73 HB ILE 13 HB ILE 13 -0.266 -5.754 -4.424
74 HG12 ILE 13 HG12 ILE 13 -1.405 -7.919 -5.208
75 HG13 ILE 13 HG13 ILE 13 -1.681 -8.323 -3.512
76 HG21 ILE 13 HG21 ILE 13 1.007 -7.694 -5.287
77 HG22 ILE 13 HG22 ILE 13 1.913 -6.909 -3.977
78 HG23 ILE 13 HG23 ILE 13 1.037 -8.431 -3.667
79 HD11 ILE 13 HD11 ILE 13 -2.740 -5.777 -4.928
80 HD12 ILE 13 HD12 ILE 13 -3.658 -7.298 -4.741
81 HD13 ILE 13 HD13 ILE 13 -3.241 -6.346 -3.317
82 H LEU 14 H LEU 14 -2.439 -6.562 -0.904
83 HA LEU 14 HA LEU 14 -3.416 -3.891 -1.660
84 HB2 LEU 14 HB2 LEU 14 -4.814 -6.253 -1.199
85 HB3 LEU 14 HB3 LEU 14 -4.886 -5.516 0.404
86 HG LEU 14 HG LEU 14 -5.754 -3.356 -0.865
87 HD11 LEU 14 HD11 LEU 14 -6.224 -5.454 -3.092
88 HD12 LEU 14 HD12 LEU 14 -5.092 -4.087 -3.234
89 HD13 LEU 14 HD13 LEU 14 -6.834 -3.779 -3.093
90 HD21 LEU 14 HD21 LEU 14 -7.273 -4.787 0.507
91 HD22 LEU 14 HD22 LEU 14 -7.475 -5.917 -0.864
92 HD23 LEU 14 HD23 LEU 14 -8.107 -4.249 -0.972
93 H ASP 15 H ASP 15 -2.607 -5.672 1.457
94 HA ASP 15 HA ASP 15 -3.058 -3.432 3.090
95 HB2 ASP 15 HB2 ASP 15 -2.634 -5.762 3.948
96 HB3 ASP 15 HB3 ASP 15 -0.912 -5.609 3.522
97 H ASN 16 H ASN 16 0.031 -4.511 1.486
98 HA ASN 16 HA ASN 16 1.446 -2.222 2.626
99 HB2 ASN 16 HB2 ASN 16 2.397 -4.546 2.318
100 HB3 ASN 16 HB3 ASN 16 2.470 -4.247 0.557
101 HD21 ASN 16 HD21 ASN 16 4.816 -4.830 2.206
102 HD22 ASN 16 HD22 ASN 16 5.791 -3.410 2.200
103 H LEU 17 H LEU 17 0.243 -3.215 -0.717
104 HA LEU 17 HA LEU 17 1.369 -0.624 -1.695
105 HB2 LEU 17 HB2 LEU 17 1.724 -3.221 -2.644
106 HB3 LEU 17 HB3 LEU 17 0.472 -2.638 -3.743
107 HG LEU 17 HG LEU 17 3.217 -1.344 -3.191
108 HD11 LEU 17 HD11 LEU 17 3.782 -2.076 -5.501
109 HD12 LEU 17 HD12 LEU 17 2.152 -2.783 -5.701
110 HD13 LEU 17 HD13 LEU 17 3.297 -3.485 -4.522
111 HD21 LEU 17 HD21 LEU 17 2.704 0.192 -5.117
112 HD22 LEU 17 HD22 LEU 17 1.561 0.465 -3.788
113 HD23 LEU 17 HD23 LEU 17 1.048 -0.472 -5.216
114 H ALA 18 H ALA 18 -0.824 -0.162 -0.198
115 HA ALA 18 HA ALA 18 -2.443 1.085 -2.248
116 HB1 ALA 18 HB1 ALA 18 -3.601 -1.212 -2.113
117 HB2 ALA 18 HB2 ALA 18 -4.049 -0.817 -0.428
118 HB3 ALA 18 HB3 ALA 18 -4.640 0.199 -1.755
119 H ALA 19 H ALA 19 -2.637 0.142 1.337
120 HA ALA 19 HA ALA 19 -3.806 2.534 2.173
121 HB1 ALA 19 HB1 ALA 19 -3.300 0.667 3.766
122 HB2 ALA 19 HB2 ALA 19 -1.546 0.977 3.603
123 HB3 ALA 19 HB3 ALA 19 -2.605 2.203 4.361
124 H ARG 20 H ARG 20 -0.260 1.859 1.460
125 HA ARG 20 HA ARG 20 0.293 4.724 2.050
126 HB2 ARG 20 HB2 ARG 20 2.317 2.538 1.439
127 HB3 ARG 20 HB3 ARG 20 2.607 4.166 2.114
128 HG2 ARG 20 HG2 ARG 20 1.010 3.436 4.067
129 HG3 ARG 20 HG3 ARG 20 1.184 1.777 3.446
130 HD2 ARG 20 HD2 ARG 20 2.934 1.903 5.133
131 HD3 ARG 20 HD3 ARG 20 3.748 2.127 3.599
132 HE ARG 20 HE ARG 20 4.300 4.307 4.160
133 HH11 ARG 20 HH12 ARG 20 1.616 3.247 6.355
134 HH12 ARG 20 HH11 ARG 20 1.764 4.704 7.325
135 HH21 ARG 20 HH22 ARG 20 4.373 6.125 5.481
136 HH22 ARG 20 HH21 ARG 20 3.277 6.287 6.853
137 H ASP 21 H ASP 21 -0.935 3.274 -0.690
138 HA ASP 21 HA ASP 21 0.575 5.229 -2.373
139 HB2 ASP 21 HB2 ASP 21 1.338 2.769 -2.578
140 HB3 ASP 21 HB3 ASP 21 -0.278 2.408 -3.230
141 H PHE 22 H PHE 22 -2.212 5.268 -0.971
142 HA PHE 22 HA PHE 22 -3.702 5.845 -3.502
143 HB2 PHE 22 HB2 PHE 22 -4.569 4.322 -1.198
144 HB3 PHE 22 HB3 PHE 22 -5.459 5.837 -1.142
145 HD1 PHE 22 HD2 PHE 22 -6.207 6.697 -3.672
146 HD2 PHE 22 HD1 PHE 22 -5.750 2.610 -2.398
147 HE1 PHE 22 HE2 PHE 22 -7.703 5.957 -5.497
148 HE2 PHE 22 HE1 PHE 22 -7.298 1.887 -4.179
149 HZ PHE 22 HZ PHE 22 -8.267 3.551 -5.746
150 H ILE 23 H ILE 23 -3.106 7.106 -0.050
151 HA ILE 23 HA ILE 23 -3.119 9.777 -1.333
152 HB ILE 23 HB ILE 23 -4.406 10.691 0.579
153 HG12 ILE 23 HG12 ILE 23 -5.860 9.066 1.960
154 HG13 ILE 23 HG13 ILE 23 -4.781 7.765 1.471
155 HG21 ILE 23 HG21 ILE 23 -5.552 9.972 -1.600
156 HG22 ILE 23 HG22 ILE 23 -5.946 8.419 -0.826
157 HG23 ILE 23 HG23 ILE 23 -6.621 9.936 -0.186
158 HD11 ILE 23 HD11 ILE 23 -4.249 8.694 3.748
159 HD12 ILE 23 HD12 ILE 23 -2.873 8.977 2.676
160 HD13 ILE 23 HD13 ILE 23 -3.980 10.315 3.054
161 H ASN 24 H ASN 24 -0.826 7.984 -0.697
162 HA ASN 24 HA ASN 24 0.546 10.052 0.967
163 HB2 ASN 24 HB2 ASN 24 1.114 7.057 1.242
164 HB3 ASN 24 HB3 ASN 24 1.685 8.381 2.274
165 HD21 ASN 24 HD21 ASN 24 -1.223 6.428 1.305
166 HD22 ASN 24 HD22 ASN 24 -2.076 6.690 2.771
167 H TRP 25 H TRP 25 0.506 9.985 -1.910
168 HA TRP 25 HA TRP 25 3.302 9.815 -2.301
169 HB2 TRP 25 HB2 TRP 25 3.775 7.807 -3.253
170 HB3 TRP 25 HB3 TRP 25 2.342 7.252 -2.381
171 HD1 TRP 25 HD1 TRP 25 3.892 6.803 -5.533
172 HE1 TRP 25 HE1 TRP 25 2.299 6.043 -7.308
173 HE3 TRP 25 HE3 TRP 25 -0.648 7.918 -3.215
174 HZ2 TRP 25 HZ2 TRP 25 -0.390 5.893 -7.785
175 HZ3 TRP 25 HZ3 TRP 25 -2.650 7.911 -4.729
176 HH2 TRP 25 HH2 TRP 25 -2.571 6.748 -6.889
177 H LEU 26 H LEU 26 0.130 10.000 -4.136
178 HA LEU 26 HA LEU 26 1.409 12.255 -5.618
179 HB2 LEU 26 HB2 LEU 26 -0.543 10.117 -6.665
180 HB3 LEU 26 HB3 LEU 26 -0.016 11.543 -7.590
181 HG LEU 26 HG LEU 26 1.872 9.298 -6.655
182 HD11 LEU 26 HD11 LEU 26 1.841 8.521 -9.021
183 HD12 LEU 26 HD12 LEU 26 0.704 9.827 -9.465
184 HD13 LEU 26 HD13 LEU 26 0.179 8.515 -8.384
185 HD21 LEU 26 HD21 LEU 26 2.336 11.655 -8.587
186 HD22 LEU 26 HD22 LEU 26 3.480 10.309 -8.330
187 HD23 LEU 26 HD23 LEU 26 3.131 11.432 -7.004
188 H ILE 27 H ILE 27 0.317 12.713 -3.220
189 HA ILE 27 HA ILE 27 -1.853 14.369 -3.867
190 HB ILE 27 HB ILE 27 -2.694 11.650 -3.224
191 HG12 ILE 27 HG12 ILE 27 -3.730 13.152 -4.974
192 HG13 ILE 27 HG13 ILE 27 -4.897 12.333 -3.934
193 HG21 ILE 27 HG21 ILE 27 -4.460 12.160 -1.471
194 HG22 ILE 27 HG22 ILE 27 -2.804 12.193 -0.830
195 HG23 ILE 27 HG23 ILE 27 -3.664 13.711 -1.151
196 HD11 ILE 27 HD11 ILE 27 -5.360 14.415 -2.678
197 HD12 ILE 27 HD12 ILE 27 -4.040 15.277 -3.510
198 HD13 ILE 27 HD13 ILE 27 -5.483 14.756 -4.412
199 H GLN 28 H GLN 28 -0.372 12.502 -1.016
200 HA GLN 28 HA GLN 28 -1.025 14.378 0.889
201 HB2 GLN 28 HB2 GLN 28 0.124 12.386 1.548
202 HB3 GLN 28 HB3 GLN 28 1.577 12.768 0.579
203 HG2 GLN 28 HG2 GLN 28 2.159 14.647 2.050
204 HG3 GLN 28 HG3 GLN 28 0.608 14.518 2.920
205 HE21 GLN 28 HE21 GLN 28 0.221 12.526 4.299
206 HE22 GLN 28 HE22 GLN 28 1.595 11.668 4.894
207 H THR 29 H THR 29 1.530 14.626 -1.712
208 HA THR 29 HA THR 29 2.825 16.905 -0.912
209 HB THR 29 HB THR 29 2.036 17.297 -3.734
210 HG1 THR 29 HG1 THR 29 2.387 15.078 -4.471
211 HG21 THR 29 HG21 THR 29 4.379 16.636 -4.215
212 HG22 THR 29 HG22 THR 29 4.548 15.958 -2.568
213 HG23 THR 29 HG23 THR 29 4.330 17.724 -2.797
214 H LYS 30 H LYS 30 -0.511 16.722 -2.332
215 HA LYS 30 HA LYS 30 -0.774 19.650 -2.098
216 HB2 LYS 30 HB2 LYS 30 -1.663 17.939 -3.971
217 HB3 LYS 30 HB3 LYS 30 -3.071 17.820 -2.908
218 HG2 LYS 30 HG2 LYS 30 -1.907 20.336 -4.303
219 HG3 LYS 30 HG3 LYS 30 -3.305 19.382 -4.812
220 HD2 LYS 30 HD2 LYS 30 -4.396 21.193 -3.864
221 HD3 LYS 30 HD3 LYS 30 -4.420 20.028 -2.539
222 HE2 LYS 30 HE2 LYS 30 -3.902 22.217 -1.638
223 HE3 LYS 30 HE3 LYS 30 -2.369 21.338 -1.555
224 HZ1 LYS 30 HZ1 LYS 30 -2.116 23.651 -2.394
225 HZ2 LYS 30 HZ2 LYS 30 -3.147 23.308 -3.742
226 HZ3 LYS 30 HZ3 LYS 30 -1.594 22.542 -3.596
227 H ILE 31 H ILE 31 -0.437 18.022 0.460
228 HA ILE 31 HA ILE 31 -2.865 19.050 1.812
229 HB ILE 31 HB ILE 31 -1.861 16.184 2.234
230 HG12 ILE 31 HG12 ILE 31 -4.500 17.225 1.037
231 HG13 ILE 31 HG13 ILE 31 -3.199 16.379 0.159
232 HG21 ILE 31 HG21 ILE 31 -4.174 17.668 3.622
233 HG22 ILE 31 HG22 ILE 31 -3.599 16.012 3.979
234 HG23 ILE 31 HG23 ILE 31 -2.572 17.394 4.359
235 HD11 ILE 31 HD11 ILE 31 -3.592 14.319 1.584
236 HD12 ILE 31 HD12 ILE 31 -5.000 15.136 2.334
237 HD13 ILE 31 HD13 ILE 31 -5.007 14.796 0.599
238 H THR 32 H THR 32 0.258 17.185 2.524
239 HA THR 32 HA THR 32 0.735 18.278 4.973
240 HB THR 32 HB THR 32 2.218 16.593 3.855
241 HG1 THR 32 HG1 THR 32 3.617 18.828 4.962
242 HG21 THR 32 HG21 THR 32 2.526 17.773 1.599
243 HG22 THR 32 HG22 THR 32 4.058 17.279 2.367
244 HG23 THR 32 HG23 THR 32 3.546 18.984 2.423
245 H ASP 33 H ASP 33 1.135 19.990 1.767
246 HA ASP 33 HA ASP 33 1.417 22.518 3.348
247 HB2 ASP 33 HB2 ASP 33 3.226 23.232 1.760
248 HB3 ASP 33 HB3 ASP 33 3.710 21.840 2.767
Start of MODEL 2
1 H1 HIS 1 H1 HIS 1 -1.484 -26.948 2.918
2 HA HIS 1 HA HIS 1 0.152 -28.129 1.453
3 HB2 HIS 1 HB2 HIS 1 -2.349 -28.149 -0.349
4 HB3 HIS 1 HB3 HIS 1 -0.743 -28.687 -0.902
5 HD1 HIS 1 HD1 HIS 1 -3.643 -30.257 -0.031
6 HD2 HIS 1 HD2 HIS 1 0.306 -30.590 1.379
7 HE1 HIS 1 HE1 HIS 1 -3.472 -32.555 1.007
8 H ALA 2 H ALA 2 1.130 -27.093 -0.654
9 HA ALA 2 HA ALA 2 0.316 -24.197 -0.824
10 HB1 ALA 2 HB1 ALA 2 2.159 -24.468 0.855
11 HB2 ALA 2 HB2 ALA 2 3.134 -25.351 -0.357
12 HB3 ALA 2 HB3 ALA 2 2.739 -23.622 -0.612
13 H ASP 3 H ASP 3 -0.696 -25.653 -2.788
14 HA ASP 3 HA ASP 3 1.161 -26.268 -4.895
15 HB2 ASP 3 HB2 ASP 3 -1.828 -25.539 -5.046
16 HB3 ASP 3 HB3 ASP 3 -0.825 -25.977 -6.451
17 H GLY 4 H GLY 4 -1.020 -23.336 -4.433
18 HA2 GLY 4 HA2 GLY 4 0.770 -21.856 -6.328
19 HA3 GLY 4 HA3 GLY 4 -0.887 -21.438 -5.883
20 H SER 5 H SER 5 -0.929 -21.385 -3.080
21 HA SER 5 HA SER 5 -0.533 -19.827 -1.435
22 HB2 SER 5 HB2 SER 5 1.645 -21.068 -1.292
23 HB3 SER 5 HB3 SER 5 2.397 -19.854 -2.363
24 HG SER 5 HG SER 5 1.777 -18.263 -0.690
25 H PHE 6 H PHE 6 -1.627 -18.920 -3.941
26 HA PHE 6 HA PHE 6 -0.325 -16.399 -4.572
27 HB2 PHE 6 HB2 PHE 6 -2.329 -15.838 -5.840
28 HB3 PHE 6 HB3 PHE 6 -1.875 -17.516 -6.200
29 HD1 PHE 6 HD2 PHE 6 -4.265 -15.331 -4.323
30 HD2 PHE 6 HD1 PHE 6 -3.439 -19.349 -5.617
31 HE1 PHE 6 HE2 PHE 6 -6.512 -16.026 -3.583
32 HE2 PHE 6 HE1 PHE 6 -5.677 -20.049 -4.846
33 HZ PHE 6 HZ PHE 6 -7.223 -18.394 -3.828
34 H SER 7 H SER 7 -2.930 -17.539 -2.282
35 HA SER 7 HA SER 7 -4.079 -15.183 -1.573
36 HB2 SER 7 HB2 SER 7 -4.718 -17.326 -0.491
37 HB3 SER 7 HB3 SER 7 -3.147 -17.386 0.356
38 HG SER 7 HG SER 7 -5.128 -15.338 0.769
39 H ASP 8 H ASP 8 -0.844 -16.392 -0.323
40 HA ASP 8 HA ASP 8 -0.492 -14.313 1.537
41 HB2 ASP 8 HB2 ASP 8 1.040 -16.285 1.420
42 HB3 ASP 8 HB3 ASP 8 1.689 -15.711 -0.138
43 H GLU 9 H GLU 9 0.559 -14.441 -1.981
44 HA GLU 9 HA GLU 9 1.530 -11.692 -1.798
45 HB2 GLU 9 HB2 GLU 9 1.113 -13.506 -4.234
46 HB3 GLU 9 HB3 GLU 9 1.836 -11.875 -4.280
47 HG2 GLU 9 HG2 GLU 9 3.660 -12.600 -2.716
48 HG3 GLU 9 HG3 GLU 9 2.955 -14.233 -2.626
49 H MET 10 H MET 10 -1.696 -13.065 -2.259
50 HA MET 10 HA MET 10 -2.617 -10.722 -3.764
51 HB2 MET 10 HB2 MET 10 -3.563 -13.026 -3.966
52 HB3 MET 10 HB3 MET 10 -4.237 -12.883 -2.316
53 HG2 MET 10 HG2 MET 10 -5.673 -10.986 -3.019
54 HG3 MET 10 HG3 MET 10 -4.943 -10.967 -4.653
55 HE1 MET 10 HE1 MET 10 -6.353 -14.143 -6.381
56 HE2 MET 10 HE2 MET 10 -6.039 -12.402 -6.671
57 HE3 MET 10 HE3 MET 10 -4.739 -13.456 -6.035
58 H ASN 11 H ASN 11 -2.346 -11.730 -0.280
59 HA ASN 11 HA ASN 11 -4.101 -9.480 0.511
60 HB2 ASN 11 HB2 ASN 11 -2.510 -11.326 2.339
61 HB3 ASN 11 HB3 ASN 11 -3.968 -10.390 2.751
62 HD21 ASN 11 HD21 ASN 11 -5.766 -11.128 0.544
63 HD22 ASN 11 HD22 ASN 11 -6.000 -12.826 0.636
64 H THR 12 H THR 12 -0.528 -10.288 0.542
65 HA THR 12 HA THR 12 0.059 -8.024 2.237
66 HB THR 12 HB THR 12 2.395 -8.214 1.259
67 HG1 THR 12 HG1 THR 12 2.674 -10.063 -0.204
68 HG21 THR 12 HG21 THR 12 1.133 -10.837 2.318
69 HG22 THR 12 HG22 THR 12 1.773 -9.498 3.313
70 HG23 THR 12 HG23 THR 12 2.878 -10.462 2.296
71 H ILE 13 H ILE 13 -0.253 -8.431 -1.392
72 HA ILE 13 HA ILE 13 0.709 -5.821 -1.928
73 HB ILE 13 HB ILE 13 -0.542 -5.806 -4.069
74 HG12 ILE 13 HG12 ILE 13 -1.795 -8.436 -3.099
75 HG13 ILE 13 HG13 ILE 13 -2.633 -6.903 -3.414
76 HG21 ILE 13 HG21 ILE 13 1.692 -6.809 -3.931
77 HG22 ILE 13 HG22 ILE 13 1.023 -8.387 -3.474
78 HG23 ILE 13 HG23 ILE 13 0.719 -7.715 -5.099
79 HD11 ILE 13 HD11 ILE 13 -1.958 -7.098 -5.861
80 HD12 ILE 13 HD12 ILE 13 -1.361 -8.752 -5.510
81 HD13 ILE 13 HD13 ILE 13 -3.076 -8.362 -5.273
82 H LEU 14 H LEU 14 -2.684 -6.832 -0.928
83 HA LEU 14 HA LEU 14 -3.571 -4.115 -1.493
84 HB2 LEU 14 HB2 LEU 14 -5.740 -4.694 -0.818
85 HB3 LEU 14 HB3 LEU 14 -5.051 -6.102 -1.648
86 HG LEU 14 HG LEU 14 -4.500 -6.909 0.858
87 HD11 LEU 14 HD11 LEU 14 -6.155 -6.171 2.554
88 HD12 LEU 14 HD12 LEU 14 -6.890 -5.037 1.389
89 HD13 LEU 14 HD13 LEU 14 -5.249 -4.747 2.009
90 HD21 LEU 14 HD21 LEU 14 -6.704 -8.066 0.978
91 HD22 LEU 14 HD22 LEU 14 -6.047 -8.109 -0.676
92 HD23 LEU 14 HD23 LEU 14 -7.357 -6.963 -0.269
93 H ASP 15 H ASP 15 -2.364 -5.893 1.458
94 HA ASP 15 HA ASP 15 -3.186 -3.727 3.206
95 HB2 ASP 15 HB2 ASP 15 -2.788 -6.060 4.001
96 HB3 ASP 15 HB3 ASP 15 -1.048 -5.899 3.646
97 H ASN 16 H ASN 16 -0.039 -4.727 1.676
98 HA ASN 16 HA ASN 16 1.323 -2.459 2.901
99 HB2 ASN 16 HB2 ASN 16 2.282 -4.783 2.526
100 HB3 ASN 16 HB3 ASN 16 2.400 -4.407 0.786
101 HD21 ASN 16 HD21 ASN 16 4.674 -5.072 2.553
102 HD22 ASN 16 HD22 ASN 16 5.668 -3.665 2.598
103 H LEU 17 H LEU 17 0.094 -3.310 -0.447
104 HA LEU 17 HA LEU 17 1.281 -0.730 -1.389
105 HB2 LEU 17 HB2 LEU 17 1.686 -3.302 -2.319
106 HB3 LEU 17 HB3 LEU 17 0.398 -2.789 -3.411
107 HG LEU 17 HG LEU 17 3.106 -1.392 -2.905
108 HD11 LEU 17 HD11 LEU 17 2.097 -2.929 -5.380
109 HD12 LEU 17 HD12 LEU 17 3.267 -3.553 -4.183
110 HD13 LEU 17 HD13 LEU 17 3.696 -2.152 -5.198
111 HD21 LEU 17 HD21 LEU 17 2.550 0.090 -4.844
112 HD22 LEU 17 HD22 LEU 17 1.377 0.328 -3.530
113 HD23 LEU 17 HD23 LEU 17 0.922 -0.641 -4.957
114 H ALA 18 H ALA 18 -0.862 -0.157 0.034
115 HA ALA 18 HA ALA 18 -2.562 0.983 -1.994
116 HB1 ALA 18 HB1 ALA 18 -4.106 -0.920 -0.152
117 HB2 ALA 18 HB2 ALA 18 -4.718 0.028 -1.516
118 HB3 ALA 18 HB3 ALA 18 -3.637 -1.362 -1.818
119 H ALA 19 H ALA 19 -2.639 0.034 1.581
120 HA ALA 19 HA ALA 19 -3.982 2.308 2.474
121 HB1 ALA 19 HB1 ALA 19 -3.294 0.468 4.031
122 HB2 ALA 19 HB2 ALA 19 -1.574 0.915 3.832
123 HB3 ALA 19 HB3 ALA 19 -2.707 2.050 4.627
124 H ARG 20 H ARG 20 -0.395 1.900 1.750
125 HA ARG 20 HA ARG 20 -0.137 4.863 2.032
126 HB2 ARG 20 HB2 ARG 20 2.054 2.771 1.932
127 HB3 ARG 20 HB3 ARG 20 2.257 4.530 2.139
128 HG2 ARG 20 HG2 ARG 20 0.783 4.379 4.259
129 HG3 ARG 20 HG3 ARG 20 0.801 2.611 4.059
130 HD2 ARG 20 HD2 ARG 20 2.510 3.177 5.671
131 HD3 ARG 20 HD3 ARG 20 3.330 2.680 4.155
132 HE ARG 20 HE ARG 20 2.962 5.558 4.219
133 HH11 ARG 20 HH12 ARG 20 4.904 2.985 5.827
134 HH12 ARG 20 HH11 ARG 20 6.225 4.097 6.159
135 HH21 ARG 20 HH22 ARG 20 4.703 6.901 4.694
136 HH22 ARG 20 HH21 ARG 20 6.117 6.268 5.542
137 H ASP 21 H ASP 21 -1.553 3.687 -0.358
138 HA ASP 21 HA ASP 21 0.190 5.129 -2.250
139 HB2 ASP 21 HB2 ASP 21 0.604 2.501 -2.243
140 HB3 ASP 21 HB3 ASP 21 -0.930 2.425 -3.134
141 H PHE 22 H PHE 22 -2.444 5.745 -0.913
142 HA PHE 22 HA PHE 22 -4.024 6.056 -3.430
143 HB2 PHE 22 HB2 PHE 22 -4.879 5.049 -1.062
144 HB3 PHE 22 HB3 PHE 22 -5.136 6.760 -0.694
145 HD1 PHE 22 HD1 PHE 22 -5.785 4.007 -3.164
146 HD2 PHE 22 HD2 PHE 22 -7.095 7.871 -1.796
147 HE1 PHE 22 HE1 PHE 22 -7.858 3.770 -4.487
148 HE2 PHE 22 HE2 PHE 22 -9.178 7.619 -3.111
149 HZ PHE 22 HZ PHE 22 -9.570 5.566 -4.450
150 H ILE 23 H ILE 23 -2.162 7.931 -0.983
151 HA ILE 23 HA ILE 23 -2.382 10.221 -2.736
152 HB ILE 23 HB ILE 23 -2.724 11.468 -0.214
153 HG12 ILE 23 HG12 ILE 23 -5.001 9.413 -0.493
154 HG13 ILE 23 HG13 ILE 23 -3.629 9.152 0.610
155 HG21 ILE 23 HG21 ILE 23 -4.821 12.382 -1.181
156 HG22 ILE 23 HG22 ILE 23 -3.539 12.316 -2.404
157 HG23 ILE 23 HG23 ILE 23 -4.840 11.089 -2.414
158 HD11 ILE 23 HD11 ILE 23 -4.152 11.268 1.829
159 HD12 ILE 23 HD12 ILE 23 -5.625 11.478 0.830
160 HD13 ILE 23 HD13 ILE 23 -5.466 10.060 1.894
161 H ASN 24 H ASN 24 -1.299 9.540 0.671
162 HA ASN 24 HA ASN 24 0.935 10.684 0.997
163 HB2 ASN 24 HB2 ASN 24 1.753 7.809 1.254
164 HB3 ASN 24 HB3 ASN 24 1.521 9.035 2.507
165 HD21 ASN 24 HD21 ASN 24 -0.354 6.910 0.216
166 HD22 ASN 24 HD22 ASN 24 -1.645 6.599 1.325
167 H TRP 25 H TRP 25 0.901 8.150 -1.641
168 HA TRP 25 HA TRP 25 3.760 8.715 -2.129
169 HB2 TRP 25 HB2 TRP 25 3.838 6.765 -3.249
170 HB3 TRP 25 HB3 TRP 25 2.247 6.422 -2.580
171 HD1 TRP 25 HD1 TRP 25 4.111 6.811 -5.748
172 HE1 TRP 25 HE1 TRP 25 2.608 6.742 -7.755
173 HE3 TRP 25 HE3 TRP 25 -0.529 7.283 -3.414
174 HZ2 TRP 25 HZ2 TRP 25 -0.034 6.894 -8.393
175 HZ3 TRP 25 HZ3 TRP 25 -2.524 7.397 -4.912
176 HH2 TRP 25 HH2 TRP 25 -2.293 7.181 -7.352
177 H LEU 26 H LEU 26 0.575 9.514 -3.599
178 HA LEU 26 HA LEU 26 1.651 10.662 -5.984
179 HB2 LEU 26 HB2 LEU 26 -0.658 9.790 -5.703
180 HB3 LEU 26 HB3 LEU 26 -1.018 11.079 -4.521
181 HG LEU 26 HG LEU 26 -0.917 12.804 -6.263
182 HD11 LEU 26 HD11 LEU 26 0.705 11.871 -7.877
183 HD12 LEU 26 HD12 LEU 26 -0.857 12.065 -8.705
184 HD13 LEU 26 HD13 LEU 26 -0.321 10.440 -8.178
185 HD21 LEU 26 HD21 LEU 26 -2.696 10.401 -7.052
186 HD22 LEU 26 HD22 LEU 26 -3.000 12.115 -7.457
187 HD23 LEU 26 HD23 LEU 26 -3.076 11.577 -5.760
188 H ILE 27 H ILE 27 0.966 11.963 -2.684
189 HA ILE 27 HA ILE 27 0.622 14.574 -3.051
190 HB ILE 27 HB ILE 27 1.965 15.080 -0.952
191 HG12 ILE 27 HG12 ILE 27 2.474 12.617 0.238
192 HG13 ILE 27 HG13 ILE 27 2.972 12.269 -1.439
193 HG21 ILE 27 HG21 ILE 27 -0.005 12.746 -0.681
194 HG22 ILE 27 HG22 ILE 27 0.440 13.934 0.565
195 HG23 ILE 27 HG23 ILE 27 -0.440 14.464 -0.885
196 HD11 ILE 27 HD11 ILE 27 4.592 14.121 -1.336
197 HD12 ILE 27 HD12 ILE 27 4.060 14.563 0.312
198 HD13 ILE 27 HD13 ILE 27 4.862 12.993 0.007
199 H GLN 28 H GLN 28 3.963 13.210 -3.668
200 HA GLN 28 HA GLN 28 4.540 15.914 -4.888
201 HB2 GLN 28 HB2 GLN 28 6.322 14.282 -3.019
202 HB3 GLN 28 HB3 GLN 28 6.980 15.514 -4.119
203 HG2 GLN 28 HG2 GLN 28 5.801 17.331 -3.126
204 HG3 GLN 28 HG3 GLN 28 4.789 16.292 -2.116
205 HE21 GLN 28 HE21 GLN 28 7.108 18.453 -1.484
206 HE22 GLN 28 HE22 GLN 28 8.002 17.599 -0.283
207 H THR 29 H THR 29 3.398 14.267 -6.460
208 HA THR 29 HA THR 29 5.695 13.243 -8.114
209 HB THR 29 HB THR 29 3.048 11.791 -7.596
210 HG1 THR 29 HG1 THR 29 4.653 11.457 -5.909
211 HG21 THR 29 HG21 THR 29 3.786 11.513 -9.976
212 HG22 THR 29 HG22 THR 29 3.997 10.003 -9.045
213 HG23 THR 29 HG23 THR 29 5.414 11.029 -9.409
214 H LYS 30 H LYS 30 2.059 13.844 -8.303
215 HA LYS 30 HA LYS 30 2.487 14.902 -11.042
216 HB2 LYS 30 HB2 LYS 30 0.649 13.242 -10.295
217 HB3 LYS 30 HB3 LYS 30 -0.093 14.605 -9.425
218 HG2 LYS 30 HG2 LYS 30 -0.036 15.780 -11.862
219 HG3 LYS 30 HG3 LYS 30 0.199 14.115 -12.444
220 HD2 LYS 30 HD2 LYS 30 -1.919 13.466 -11.105
221 HD3 LYS 30 HD3 LYS 30 -2.115 15.199 -10.719
222 HE2 LYS 30 HE2 LYS 30 -2.191 15.678 -13.244
223 HE3 LYS 30 HE3 LYS 30 -2.198 13.913 -13.512
224 HZ1 LYS 30 HZ1 LYS 30 -4.488 14.794 -13.526
225 HZ2 LYS 30 HZ2 LYS 30 -4.276 15.522 -11.967
226 HZ3 LYS 30 HZ3 LYS 30 -4.289 13.782 -12.126
227 H ILE 31 H ILE 31 2.666 16.233 -7.804
228 HA ILE 31 HA ILE 31 1.248 18.728 -8.600
229 HB ILE 31 HB ILE 31 2.378 17.899 -5.872
230 HG12 ILE 31 HG12 ILE 31 -0.014 17.895 -5.153
231 HG13 ILE 31 HG13 ILE 31 -0.541 18.075 -6.846
232 HG21 ILE 31 HG21 ILE 31 2.479 20.381 -6.267
233 HG22 ILE 31 HG22 ILE 31 0.754 20.377 -6.730
234 HG23 ILE 31 HG23 ILE 31 1.241 19.973 -5.061
235 HD11 ILE 31 HD11 ILE 31 1.141 15.695 -5.813
236 HD12 ILE 31 HD12 ILE 31 -0.639 15.691 -5.856
237 HD13 ILE 31 HD13 ILE 31 0.270 15.803 -7.370
238 H THR 32 H THR 32 4.434 17.681 -7.055
239 HA THR 32 HA THR 32 5.665 20.179 -7.506
240 HB THR 32 HB THR 32 7.001 17.410 -7.402
241 HG1 THR 32 HG1 THR 32 6.150 19.059 -5.218
242 HG21 THR 32 HG21 THR 32 8.043 20.212 -6.593
243 HG22 THR 32 HG22 THR 32 8.659 19.210 -7.942
244 HG23 THR 32 HG23 THR 32 8.874 18.667 -6.255
245 H ASP 33 H ASP 33 5.019 17.506 -9.823
246 HA ASP 33 HA ASP 33 5.463 17.355 -12.054
247 HB2 ASP 33 HB2 ASP 33 5.533 19.281 -13.422
248 HB3 ASP 33 HB3 ASP 33 4.520 19.739 -12.033
Start of MODEL 3
1 H1 HIS 1 H1 HIS 1 -4.876 -27.822 -5.394
2 HA HIS 1 HA HIS 1 -2.451 -27.533 -5.430
3 HB2 HIS 1 HB2 HIS 1 -2.163 -26.041 -7.433
4 HB3 HIS 1 HB3 HIS 1 -3.531 -27.164 -7.655
5 HD1 HIS 1 HD1 HIS 1 -5.947 -26.096 -7.033
6 HD2 HIS 1 HD2 HIS 1 -2.761 -23.440 -7.727
7 HE1 HIS 1 HE1 HIS 1 -7.019 -23.854 -7.489
8 H ALA 2 H ALA 2 -0.593 -25.980 -5.170
9 HA ALA 2 HA ALA 2 -1.211 -23.340 -3.994
10 HB1 ALA 2 HB1 ALA 2 -0.204 -23.940 -1.768
11 HB2 ALA 2 HB2 ALA 2 -1.690 -24.883 -2.075
12 HB3 ALA 2 HB3 ALA 2 -0.091 -25.652 -2.287
13 H ASP 3 H ASP 3 0.121 -23.224 -6.163
14 HA ASP 3 HA ASP 3 2.799 -24.103 -6.218
15 HB2 ASP 3 HB2 ASP 3 1.676 -21.498 -7.429
16 HB3 ASP 3 HB3 ASP 3 3.244 -22.243 -7.840
17 H GLY 4 H GLY 4 1.446 -20.927 -4.943
18 HA2 GLY 4 HA2 GLY 4 3.588 -20.929 -2.918
19 HA3 GLY 4 HA3 GLY 4 3.765 -19.688 -4.195
20 H SER 5 H SER 5 0.861 -21.069 -2.414
21 HA SER 5 HA SER 5 -0.868 -19.912 -1.358
22 HB2 SER 5 HB2 SER 5 1.574 -18.456 -0.209
23 HB3 SER 5 HB3 SER 5 -0.062 -18.559 0.520
24 HG SER 5 HG SER 5 1.399 -20.292 1.326
25 H PHE 6 H PHE 6 -1.421 -19.050 -3.632
26 HA PHE 6 HA PHE 6 -0.637 -16.525 -4.503
27 HB2 PHE 6 HB2 PHE 6 -2.448 -18.276 -5.537
28 HB3 PHE 6 HB3 PHE 6 -3.610 -17.174 -4.786
29 HD1 PHE 6 HD2 PHE 6 -3.070 -14.559 -5.292
30 HD2 PHE 6 HD1 PHE 6 -1.762 -17.829 -7.756
31 HE1 PHE 6 HE2 PHE 6 -2.766 -13.001 -7.189
32 HE2 PHE 6 HE1 PHE 6 -1.541 -16.293 -9.670
33 HZ PHE 6 HZ PHE 6 -2.021 -13.871 -9.397
34 H SER 7 H SER 7 -3.303 -17.406 -2.170
35 HA SER 7 HA SER 7 -4.352 -14.931 -1.638
36 HB2 SER 7 HB2 SER 7 -5.183 -16.971 -0.495
37 HB3 SER 7 HB3 SER 7 -3.662 -17.101 0.430
38 HG SER 7 HG SER 7 -5.498 -14.907 0.675
39 H ASP 8 H ASP 8 -1.276 -16.276 -0.141
40 HA ASP 8 HA ASP 8 -0.948 -14.184 1.696
41 HB2 ASP 8 HB2 ASP 8 0.470 -16.253 1.680
42 HB3 ASP 8 HB3 ASP 8 1.326 -15.663 0.233
43 H GLU 9 H GLU 9 0.335 -14.408 -1.729
44 HA GLU 9 HA GLU 9 1.353 -11.699 -1.591
45 HB2 GLU 9 HB2 GLU 9 1.110 -13.755 -3.807
46 HB3 GLU 9 HB3 GLU 9 1.066 -12.065 -4.323
47 HG2 GLU 9 HG2 GLU 9 3.280 -13.224 -2.527
48 HG3 GLU 9 HG3 GLU 9 3.407 -13.010 -4.294
49 H MET 10 H MET 10 -1.883 -13.043 -2.353
50 HA MET 10 HA MET 10 -2.738 -10.702 -3.768
51 HB2 MET 10 HB2 MET 10 -3.835 -13.048 -3.678
52 HB3 MET 10 HB3 MET 10 -4.584 -12.552 -2.141
53 HG2 MET 10 HG2 MET 10 -4.921 -11.010 -4.818
54 HG3 MET 10 HG3 MET 10 -5.992 -12.341 -4.296
55 HE1 MET 10 HE1 MET 10 -7.255 -9.635 -5.053
56 HE2 MET 10 HE2 MET 10 -8.170 -11.038 -4.407
57 HE3 MET 10 HE3 MET 10 -8.409 -9.410 -3.697
58 H ASN 11 H ASN 11 -2.509 -11.483 -0.239
59 HA ASN 11 HA ASN 11 -4.182 -9.117 0.401
60 HB2 ASN 11 HB2 ASN 11 -2.642 -10.888 2.353
61 HB3 ASN 11 HB3 ASN 11 -4.079 -9.883 2.681
62 HD21 ASN 11 HD21 ASN 11 -5.932 -10.664 0.616
63 HD22 ASN 11 HD22 ASN 11 -6.196 -12.359 0.742
64 H THR 12 H THR 12 -0.643 -10.117 0.625
65 HA THR 12 HA THR 12 0.043 -7.781 2.112
66 HB THR 12 HB THR 12 2.403 -8.158 1.214
67 HG1 THR 12 HG1 THR 12 1.836 -9.230 -0.821
68 HG21 THR 12 HG21 THR 12 2.731 -10.342 2.383
69 HG22 THR 12 HG22 THR 12 0.967 -10.612 2.417
70 HG23 THR 12 HG23 THR 12 1.681 -9.247 3.327
71 H ILE 13 H ILE 13 -0.340 -8.297 -1.486
72 HA ILE 13 HA ILE 13 0.827 -5.766 -2.105
73 HB ILE 13 HB ILE 13 -0.369 -5.749 -4.255
74 HG12 ILE 13 HG12 ILE 13 -1.627 -8.104 -4.773
75 HG13 ILE 13 HG13 ILE 13 -1.993 -8.021 -3.046
76 HG21 ILE 13 HG21 ILE 13 0.973 -8.420 -3.545
77 HG22 ILE 13 HG22 ILE 13 0.729 -7.787 -5.196
78 HG23 ILE 13 HG23 ILE 13 1.773 -6.911 -4.052
79 HD11 ILE 13 HD11 ILE 13 -2.720 -5.960 -5.216
80 HD12 ILE 13 HD12 ILE 13 -3.836 -7.067 -4.363
81 HD13 ILE 13 HD13 ILE 13 -3.083 -5.711 -3.490
82 H LEU 14 H LEU 14 -2.524 -6.602 -0.950
83 HA LEU 14 HA LEU 14 -3.419 -3.894 -1.544
84 HB2 LEU 14 HB2 LEU 14 -4.961 -5.877 -1.363
85 HB3 LEU 14 HB3 LEU 14 -4.661 -5.933 0.376
86 HG LEU 14 HG LEU 14 -5.367 -3.160 -0.226
87 HD11 LEU 14 HD11 LEU 14 -7.360 -5.112 -1.525
88 HD12 LEU 14 HD12 LEU 14 -6.305 -3.964 -2.406
89 HD13 LEU 14 HD13 LEU 14 -7.583 -3.352 -1.317
90 HD21 LEU 14 HD21 LEU 14 -7.074 -5.356 1.084
91 HD22 LEU 14 HD22 LEU 14 -7.339 -3.592 1.212
92 HD23 LEU 14 HD23 LEU 14 -5.867 -4.323 1.912
93 H ASP 15 H ASP 15 -2.465 -5.703 1.524
94 HA ASP 15 HA ASP 15 -2.917 -3.464 3.194
95 HB2 ASP 15 HB2 ASP 15 -2.583 -5.811 4.038
96 HB3 ASP 15 HB3 ASP 15 -0.858 -5.728 3.603
97 H ASN 16 H ASN 16 0.126 -4.599 1.548
98 HA ASN 16 HA ASN 16 1.625 -2.385 2.763
99 HB2 ASN 16 HB2 ASN 16 2.461 -4.763 2.437
100 HB3 ASN 16 HB3 ASN 16 2.603 -4.423 0.689
101 HD21 ASN 16 HD21 ASN 16 4.859 -5.182 2.372
102 HD22 ASN 16 HD22 ASN 16 5.914 -3.819 2.434
103 H LEU 17 H LEU 17 0.305 -3.238 -0.550
104 HA LEU 17 HA LEU 17 1.656 -0.765 -1.574
105 HB2 LEU 17 HB2 LEU 17 1.865 -3.407 -2.416
106 HB3 LEU 17 HB3 LEU 17 0.658 -2.798 -3.557
107 HG LEU 17 HG LEU 17 3.443 -1.583 -3.005
108 HD11 LEU 17 HD11 LEU 17 2.467 -3.259 -5.403
109 HD12 LEU 17 HD12 LEU 17 3.576 -3.823 -4.121
110 HD13 LEU 17 HD13 LEU 17 4.084 -2.517 -5.222
111 HD21 LEU 17 HD21 LEU 17 1.428 -0.890 -5.246
112 HD22 LEU 17 HD22 LEU 17 3.057 -0.183 -5.023
113 HD23 LEU 17 HD23 LEU 17 1.775 0.132 -3.828
114 H ALA 18 H ALA 18 -0.460 -0.108 -0.109
115 HA ALA 18 HA ALA 18 -2.065 1.178 -2.136
116 HB1 ALA 18 HB1 ALA 18 -4.287 0.363 -1.628
117 HB2 ALA 18 HB2 ALA 18 -3.300 -1.085 -1.989
118 HB3 ALA 18 HB3 ALA 18 -3.714 -0.668 -0.301
119 H ALA 19 H ALA 19 -2.231 0.211 1.436
120 HA ALA 19 HA ALA 19 -3.334 2.623 2.327
121 HB1 ALA 19 HB1 ALA 19 -1.142 0.934 3.702
122 HB2 ALA 19 HB2 ALA 19 -2.114 2.212 4.494
123 HB3 ALA 19 HB3 ALA 19 -2.908 0.727 3.889
124 H ARG 20 H ARG 20 0.173 1.863 1.480
125 HA ARG 20 HA ARG 20 0.521 4.848 1.326
126 HB2 ARG 20 HB2 ARG 20 2.704 2.817 1.981
127 HB3 ARG 20 HB3 ARG 20 2.924 4.541 1.603
128 HG2 ARG 20 HG2 ARG 20 2.884 4.777 3.889
129 HG3 ARG 20 HG3 ARG 20 1.138 4.891 3.640
130 HD2 ARG 20 HD2 ARG 20 0.863 2.476 4.151
131 HD3 ARG 20 HD3 ARG 20 2.590 2.250 4.412
132 HE ARG 20 HE ARG 20 0.633 3.465 6.225
133 HH11 ARG 20 HH12 ARG 20 4.165 3.542 5.373
134 HH12 ARG 20 HH11 ARG 20 4.576 4.214 6.940
135 HH21 ARG 20 HH22 ARG 20 1.310 4.300 8.188
136 HH22 ARG 20 HH21 ARG 20 3.016 4.613 8.498
137 H ASP 21 H ASP 21 -0.826 3.833 -0.715
138 HA ASP 21 HA ASP 21 1.131 4.780 -2.635
139 HB2 ASP 21 HB2 ASP 21 1.099 2.014 -2.369
140 HB3 ASP 21 HB3 ASP 21 -0.096 2.198 -3.658
141 H PHE 22 H PHE 22 -1.319 5.901 -1.606
142 HA PHE 22 HA PHE 22 -2.350 6.913 -3.937
143 HB2 PHE 22 HB2 PHE 22 -3.594 4.277 -3.423
144 HB3 PHE 22 HB3 PHE 22 -4.821 5.554 -3.417
145 HD1 PHE 22 HD1 PHE 22 -4.502 7.475 -5.241
146 HD2 PHE 22 HD2 PHE 22 -3.224 3.385 -5.680
147 HE1 PHE 22 HE1 PHE 22 -4.538 7.729 -7.700
148 HE2 PHE 22 HE2 PHE 22 -3.264 3.644 -8.140
149 HZ PHE 22 HZ PHE 22 -3.918 5.814 -9.159
150 H ILE 23 H ILE 23 -2.923 8.940 -2.953
151 HA ILE 23 HA ILE 23 -3.764 10.386 -1.392
152 HB ILE 23 HB ILE 23 -5.740 8.238 -0.539
153 HG12 ILE 23 HG12 ILE 23 -5.740 8.211 -3.031
154 HG13 ILE 23 HG13 ILE 23 -7.238 8.895 -2.390
155 HG21 ILE 23 HG21 ILE 23 -5.895 11.312 -0.603
156 HG22 ILE 23 HG22 ILE 23 -7.301 10.247 -0.325
157 HG23 ILE 23 HG23 ILE 23 -5.957 10.255 0.824
158 HD11 ILE 23 HD11 ILE 23 -6.415 10.165 -4.362
159 HD12 ILE 23 HD12 ILE 23 -6.442 11.222 -2.931
160 HD13 ILE 23 HD13 ILE 23 -4.891 10.564 -3.533
161 H ASN 24 H ASN 24 -1.422 8.782 -0.703
162 HA ASN 24 HA ASN 24 -1.525 9.617 2.062
163 HB2 ASN 24 HB2 ASN 24 -0.728 6.707 1.800
164 HB3 ASN 24 HB3 ASN 24 -0.889 7.677 3.265
165 HD21 ASN 24 HD21 ASN 24 -2.725 6.104 0.558
166 HD22 ASN 24 HD22 ASN 24 -4.218 6.005 1.412
167 H TRP 25 H TRP 25 0.478 7.385 -0.090
168 HA TRP 25 HA TRP 25 2.879 8.356 1.045
169 HB2 TRP 25 HB2 TRP 25 4.008 6.884 -0.272
170 HB3 TRP 25 HB3 TRP 25 2.412 6.170 -0.492
171 HD1 TRP 25 HD1 TRP 25 5.321 6.783 -2.369
172 HE1 TRP 25 HE1 TRP 25 4.952 7.132 -4.814
173 HE3 TRP 25 HE3 TRP 25 0.175 7.676 -2.412
174 HZ2 TRP 25 HZ2 TRP 25 2.970 7.770 -6.561
175 HZ3 TRP 25 HZ3 TRP 25 -0.776 8.514 -4.566
176 HH2 TRP 25 HH2 TRP 25 0.554 8.415 -6.639
177 H LEU 26 H LEU 26 0.856 9.767 -1.522
178 HA LEU 26 HA LEU 26 3.030 11.766 -2.086
179 HB2 LEU 26 HB2 LEU 26 1.877 10.260 -3.904
180 HB3 LEU 26 HB3 LEU 26 0.407 11.191 -3.567
181 HG LEU 26 HG LEU 26 1.944 13.296 -4.214
182 HD11 LEU 26 HD11 LEU 26 4.150 12.021 -4.202
183 HD12 LEU 26 HD12 LEU 26 3.799 12.753 -5.789
184 HD13 LEU 26 HD13 LEU 26 3.541 11.006 -5.540
185 HD21 LEU 26 HD21 LEU 26 0.043 12.512 -5.599
186 HD22 LEU 26 HD22 LEU 26 1.057 11.225 -6.316
187 HD23 LEU 26 HD23 LEU 26 1.423 12.947 -6.640
188 H ILE 27 H ILE 27 0.313 11.408 -0.013
189 HA ILE 27 HA ILE 27 -0.499 14.286 -0.344
190 HB ILE 27 HB ILE 27 -2.023 11.704 -0.272
191 HG12 ILE 27 HG12 ILE 27 -3.782 13.013 -1.409
192 HG13 ILE 27 HG13 ILE 27 -2.909 14.533 -1.103
193 HG21 ILE 27 HG21 ILE 27 -2.649 12.311 2.012
194 HG22 ILE 27 HG22 ILE 27 -3.020 13.989 1.510
195 HG23 ILE 27 HG23 ILE 27 -4.017 12.621 0.944
196 HD11 ILE 27 HD11 ILE 27 -1.823 12.198 -2.817
197 HD12 ILE 27 HD12 ILE 27 -2.668 13.633 -3.471
198 HD13 ILE 27 HD13 ILE 27 -1.098 13.831 -2.669
199 H GLN 28 H GLN 28 -0.323 11.557 2.122
200 HA GLN 28 HA GLN 28 -0.644 13.459 4.259
201 HB2 GLN 28 HB2 GLN 28 -1.095 10.828 4.195
202 HB3 GLN 28 HB3 GLN 28 0.642 10.684 4.544
203 HG2 GLN 28 HG2 GLN 28 -0.476 10.599 6.684
204 HG3 GLN 28 HG3 GLN 28 0.111 12.278 6.605
205 HE21 GLN 28 HE21 GLN 28 -2.820 10.160 5.874
206 HE22 GLN 28 HE22 GLN 28 -3.965 11.404 6.218
207 H THR 29 H THR 29 2.129 12.288 2.295
208 HA THR 29 HA THR 29 4.096 12.974 4.380
209 HB THR 29 HB THR 29 5.718 12.232 2.609
210 HG1 THR 29 HG1 THR 29 4.677 11.490 0.585
211 HG21 THR 29 HG21 THR 29 3.349 10.292 3.028
212 HG22 THR 29 HG22 THR 29 4.734 10.513 4.143
213 HG23 THR 29 HG23 THR 29 4.997 9.840 2.506
214 H LYS 30 H LYS 30 2.443 14.860 1.864
215 HA LYS 30 HA LYS 30 4.572 16.947 2.250
216 HB2 LYS 30 HB2 LYS 30 4.522 17.438 -0.172
217 HB3 LYS 30 HB3 LYS 30 5.135 15.788 0.117
218 HG2 LYS 30 HG2 LYS 30 3.074 14.744 -0.567
219 HG3 LYS 30 HG3 LYS 30 2.169 16.270 -0.460
220 HD2 LYS 30 HD2 LYS 30 2.326 15.932 -2.764
221 HD3 LYS 30 HD3 LYS 30 3.509 17.213 -2.409
222 HE2 LYS 30 HE2 LYS 30 5.359 15.507 -2.525
223 HE3 LYS 30 HE3 LYS 30 4.147 14.215 -2.792
224 HZ1 LYS 30 HZ1 LYS 30 5.122 14.943 -4.926
225 HZ2 LYS 30 HZ2 LYS 30 4.626 16.588 -4.628
226 HZ3 LYS 30 HZ3 LYS 30 3.433 15.339 -4.883
227 H ILE 31 H ILE 31 1.916 16.674 3.523
228 HA ILE 31 HA ILE 31 0.928 19.337 2.663
229 HB ILE 31 HB ILE 31 -1.027 16.955 2.803
230 HG12 ILE 31 HG12 ILE 31 -0.021 18.508 0.337
231 HG13 ILE 31 HG13 ILE 31 0.324 16.807 0.763
232 HG21 ILE 31 HG21 ILE 31 -1.933 19.184 3.612
233 HG22 ILE 31 HG22 ILE 31 -1.527 19.885 2.016
234 HG23 ILE 31 HG23 ILE 31 -2.749 18.582 2.161
235 HD11 ILE 31 HD11 ILE 31 -2.406 17.913 -0.078
236 HD12 ILE 31 HD12 ILE 31 -1.363 16.749 -0.928
237 HD13 ILE 31 HD13 ILE 31 -2.150 16.279 0.610
238 H THR 32 H THR 32 0.073 16.497 4.865
239 HA THR 32 HA THR 32 -1.051 18.207 6.829
240 HB THR 32 HB THR 32 0.164 15.386 7.085
241 HG1 THR 32 HG1 THR 32 -1.881 15.598 5.820
242 HG21 THR 32 HG21 THR 32 -1.181 15.227 9.190
243 HG22 THR 32 HG22 THR 32 -1.506 16.986 9.115
244 HG23 THR 32 HG23 THR 32 0.167 16.383 9.360
245 H ASP 33 H ASP 33 2.413 17.463 6.099
246 HA ASP 33 HA ASP 33 4.316 18.332 7.067
247 HB2 ASP 33 HB2 ASP 33 2.494 20.427 8.408
248 HB3 ASP 33 HB3 ASP 33 4.256 20.496 8.182
Start of MODEL 4
1 H1 HIS 1 H1 HIS 1 -0.144 -27.369 -11.193
2 HA HIS 1 HA HIS 1 -1.829 -26.779 -9.479
3 HB2 HIS 1 HB2 HIS 1 0.721 -26.246 -7.828
4 HB3 HIS 1 HB3 HIS 1 -0.941 -25.982 -7.241
5 HD1 HIS 1 HD1 HIS 1 -2.463 -28.356 -7.665
6 HD2 HIS 1 HD2 HIS 1 1.667 -28.564 -6.916
7 HE1 HIS 1 HE1 HIS 1 -2.045 -30.698 -6.814
8 H ALA 2 H ALA 2 -2.265 -24.403 -8.688
9 HA ALA 2 HA ALA 2 -1.455 -22.682 -10.847
10 HB1 ALA 2 HB1 ALA 2 -3.638 -22.360 -9.701
11 HB2 ALA 2 HB2 ALA 2 -2.806 -21.933 -8.180
12 HB3 ALA 2 HB3 ALA 2 -2.644 -20.877 -9.612
13 H ASP 3 H ASP 3 -0.603 -22.732 -7.266
14 HA ASP 3 HA ASP 3 2.040 -21.651 -7.906
15 HB2 ASP 3 HB2 ASP 3 0.773 -19.560 -8.122
16 HB3 ASP 3 HB3 ASP 3 -0.101 -19.859 -6.611
17 H GLY 4 H GLY 4 -0.287 -21.632 -5.020
18 HA2 GLY 4 HA2 GLY 4 0.536 -23.607 -3.504
19 HA3 GLY 4 HA3 GLY 4 2.010 -22.611 -3.375
20 H SER 5 H SER 5 1.288 -20.032 -3.180
21 HA SER 5 HA SER 5 -0.892 -19.824 -1.141
22 HB2 SER 5 HB2 SER 5 2.038 -19.010 -0.674
23 HB3 SER 5 HB3 SER 5 0.662 -18.663 0.428
24 HG SER 5 HG SER 5 1.791 -20.682 1.020
25 H PHE 6 H PHE 6 -1.413 -18.997 -3.562
26 HA PHE 6 HA PHE 6 -0.318 -16.456 -4.235
27 HB2 PHE 6 HB2 PHE 6 -2.270 -18.102 -5.487
28 HB3 PHE 6 HB3 PHE 6 -3.205 -16.678 -5.022
29 HD1 PHE 6 HD1 PHE 6 -1.658 -14.355 -5.403
30 HD2 PHE 6 HD2 PHE 6 -1.505 -17.976 -7.728
31 HE1 PHE 6 HE1 PHE 6 -0.649 -13.112 -7.283
32 HE2 PHE 6 HE2 PHE 6 -0.504 -16.727 -9.601
33 HZ PHE 6 HZ PHE 6 -0.064 -14.294 -9.387
34 H SER 7 H SER 7 -3.250 -17.444 -2.294
35 HA SER 7 HA SER 7 -4.398 -15.029 -1.838
36 HB2 SER 7 HB2 SER 7 -5.300 -17.101 -0.840
37 HB3 SER 7 HB3 SER 7 -3.936 -17.187 0.305
38 HG SER 7 HG SER 7 -5.862 -15.063 0.264
39 H ASP 8 H ASP 8 -1.611 -16.277 0.256
40 HA ASP 8 HA ASP 8 -1.482 -14.011 1.911
41 HB2 ASP 8 HB2 ASP 8 0.812 -15.776 0.848
42 HB3 ASP 8 HB3 ASP 8 1.066 -14.443 2.003
43 H GLU 9 H GLU 9 0.170 -14.559 -1.302
44 HA GLU 9 HA GLU 9 1.421 -11.999 -1.183
45 HB2 GLU 9 HB2 GLU 9 2.139 -13.994 -2.587
46 HB3 GLU 9 HB3 GLU 9 0.842 -13.592 -3.747
47 HG2 GLU 9 HG2 GLU 9 1.925 -11.363 -4.154
48 HG3 GLU 9 HG3 GLU 9 3.126 -11.676 -2.874
49 H MET 10 H MET 10 -1.792 -13.113 -2.414
50 HA MET 10 HA MET 10 -2.352 -10.667 -3.804
51 HB2 MET 10 HB2 MET 10 -3.501 -12.965 -4.115
52 HB3 MET 10 HB3 MET 10 -4.443 -12.600 -2.644
53 HG2 MET 10 HG2 MET 10 -5.406 -10.560 -3.813
54 HG3 MET 10 HG3 MET 10 -4.362 -10.891 -5.225
55 HE1 MET 10 HE1 MET 10 -7.943 -11.187 -4.203
56 HE2 MET 10 HE2 MET 10 -8.361 -12.928 -4.305
57 HE3 MET 10 HE3 MET 10 -7.302 -12.339 -2.980
58 H ASN 11 H ASN 11 -2.379 -11.509 -0.327
59 HA ASN 11 HA ASN 11 -4.145 -9.210 0.276
60 HB2 ASN 11 HB2 ASN 11 -2.498 -10.863 2.249
61 HB3 ASN 11 HB3 ASN 11 -3.948 -9.886 2.583
62 HD21 ASN 11 HD21 ASN 11 -5.860 -10.785 0.652
63 HD22 ASN 11 HD22 ASN 11 -6.075 -12.477 0.840
64 H THR 12 H THR 12 -0.580 -10.099 0.498
65 HA THR 12 HA THR 12 0.082 -7.743 1.935
66 HB THR 12 HB THR 12 2.432 -8.076 0.986
67 HG1 THR 12 HG1 THR 12 1.831 -9.179 -1.029
68 HG21 THR 12 HG21 THR 12 1.776 -9.166 3.123
69 HG22 THR 12 HG22 THR 12 2.838 -10.237 2.165
70 HG23 THR 12 HG23 THR 12 1.085 -10.555 2.234
71 H ILE 13 H ILE 13 -0.368 -8.265 -1.646
72 HA ILE 13 HA ILE 13 0.774 -5.763 -2.350
73 HB ILE 13 HB ILE 13 -0.587 -5.729 -4.400
74 HG12 ILE 13 HG12 ILE 13 -1.989 -8.087 -4.710
75 HG13 ILE 13 HG13 ILE 13 -2.219 -7.842 -2.976
76 HG21 ILE 13 HG21 ILE 13 1.509 -7.030 -4.328
77 HG22 ILE 13 HG22 ILE 13 0.620 -8.497 -3.840
78 HG23 ILE 13 HG23 ILE 13 0.332 -7.770 -5.441
79 HD11 ILE 13 HD11 ILE 13 -3.003 -5.930 -5.252
80 HD12 ILE 13 HD12 ILE 13 -4.104 -6.878 -4.213
81 HD13 ILE 13 HD13 ILE 13 -3.192 -5.505 -3.536
82 H LEU 14 H LEU 14 -2.444 -6.512 -0.887
83 HA LEU 14 HA LEU 14 -3.328 -3.784 -1.540
84 HB2 LEU 14 HB2 LEU 14 -4.691 -6.050 -1.498
85 HB3 LEU 14 HB3 LEU 14 -4.915 -5.700 0.224
86 HG LEU 14 HG LEU 14 -5.600 -3.721 -2.073
87 HD11 LEU 14 HD11 LEU 14 -6.889 -5.794 -2.470
88 HD12 LEU 14 HD12 LEU 14 -7.962 -4.490 -1.914
89 HD13 LEU 14 HD13 LEU 14 -7.476 -5.784 -0.781
90 HD21 LEU 14 HD21 LEU 14 -7.108 -2.661 -0.401
91 HD22 LEU 14 HD22 LEU 14 -5.441 -2.683 0.221
92 HD23 LEU 14 HD23 LEU 14 -6.634 -3.869 0.829
93 H ASP 15 H ASP 15 -2.357 -5.698 1.460
94 HA ASP 15 HA ASP 15 -2.804 -3.481 3.197
95 HB2 ASP 15 HB2 ASP 15 -2.401 -5.817 4.024
96 HB3 ASP 15 HB3 ASP 15 -0.706 -5.723 3.488
97 H ASN 16 H ASN 16 0.169 -4.572 1.395
98 HA ASN 16 HA ASN 16 1.701 -2.357 2.557
99 HB2 ASN 16 HB2 ASN 16 2.542 -4.721 2.195
100 HB3 ASN 16 HB3 ASN 16 2.612 -4.381 0.444
101 HD21 ASN 16 HD21 ASN 16 4.936 -5.112 2.087
102 HD22 ASN 16 HD22 ASN 16 5.982 -3.744 2.077
103 H LEU 17 H LEU 17 0.313 -3.221 -0.721
104 HA LEU 17 HA LEU 17 1.562 -0.708 -1.764
105 HB2 LEU 17 HB2 LEU 17 1.661 -3.371 -2.697
106 HB3 LEU 17 HB3 LEU 17 0.514 -2.615 -3.805
107 HG LEU 17 HG LEU 17 3.354 -1.607 -3.167
108 HD11 LEU 17 HD11 LEU 17 2.316 -3.121 -5.645
109 HD12 LEU 17 HD12 LEU 17 3.381 -3.795 -4.379
110 HD13 LEU 17 HD13 LEU 17 3.969 -2.477 -5.425
111 HD21 LEU 17 HD21 LEU 17 1.401 -0.704 -5.395
112 HD22 LEU 17 HD22 LEU 17 3.068 -0.110 -5.150
113 HD23 LEU 17 HD23 LEU 17 1.810 0.246 -3.946
114 H ALA 18 H ALA 18 -0.438 -0.044 -0.206
115 HA ALA 18 HA ALA 18 -2.176 1.233 -2.112
116 HB1 ALA 18 HB1 ALA 18 -3.397 -1.043 -1.897
117 HB2 ALA 18 HB2 ALA 18 -3.719 -0.612 -0.196
118 HB3 ALA 18 HB3 ALA 18 -4.358 0.408 -1.494
119 H ALA 19 H ALA 19 -2.133 0.222 1.447
120 HA ALA 19 HA ALA 19 -3.211 2.611 2.432
121 HB1 ALA 19 HB1 ALA 19 -2.667 0.667 3.930
122 HB2 ALA 19 HB2 ALA 19 -0.916 0.951 3.679
123 HB3 ALA 19 HB3 ALA 19 -1.910 2.173 4.530
124 H ARG 20 H ARG 20 0.219 1.881 1.342
125 HA ARG 20 HA ARG 20 0.636 4.853 1.358
126 HB2 ARG 20 HB2 ARG 20 2.761 2.730 1.845
127 HB3 ARG 20 HB3 ARG 20 2.997 4.497 1.765
128 HG2 ARG 20 HG2 ARG 20 1.296 4.696 3.737
129 HG3 ARG 20 HG3 ARG 20 1.360 2.921 3.846
130 HD2 ARG 20 HD2 ARG 20 2.875 3.785 5.489
131 HD3 ARG 20 HD3 ARG 20 3.885 3.110 4.168
132 HE ARG 20 HE ARG 20 3.438 5.927 3.716
133 HH11 ARG 20 HH12 ARG 20 5.188 3.769 6.009
134 HH12 ARG 20 HH11 ARG 20 6.385 5.009 6.366
135 HH21 ARG 20 HH22 ARG 20 5.015 7.443 4.235
136 HH22 ARG 20 HH21 ARG 20 6.295 7.046 5.386
137 H ASP 21 H ASP 21 -0.765 3.841 -0.718
138 HA ASP 21 HA ASP 21 1.134 4.847 -2.686
139 HB2 ASP 21 HB2 ASP 21 1.337 2.199 -2.523
140 HB3 ASP 21 HB3 ASP 21 -0.189 2.186 -3.422
141 H PHE 22 H PHE 22 -1.330 5.931 -1.540
142 HA PHE 22 HA PHE 22 -2.469 6.959 -3.811
143 HB2 PHE 22 HB2 PHE 22 -3.635 4.283 -3.307
144 HB3 PHE 22 HB3 PHE 22 -4.882 5.533 -3.252
145 HD1 PHE 22 HD1 PHE 22 -4.670 7.472 -5.064
146 HD2 PHE 22 HD2 PHE 22 -3.296 3.427 -5.585
147 HE1 PHE 22 HE1 PHE 22 -4.775 7.753 -7.517
148 HE2 PHE 22 HE2 PHE 22 -3.402 3.715 -8.037
149 HZ PHE 22 HZ PHE 22 -4.137 5.874 -9.012
150 H ILE 23 H ILE 23 -3.097 8.947 -2.782
151 HA ILE 23 HA ILE 23 -3.916 10.337 -1.154
152 HB ILE 23 HB ILE 23 -5.768 8.097 -0.259
153 HG12 ILE 23 HG12 ILE 23 -5.896 8.099 -2.744
154 HG13 ILE 23 HG13 ILE 23 -7.374 8.745 -2.025
155 HG21 ILE 23 HG21 ILE 23 -6.078 11.155 -0.260
156 HG22 ILE 23 HG22 ILE 23 -7.398 10.009 0.075
157 HG23 ILE 23 HG23 ILE 23 -5.999 10.081 1.148
158 HD11 ILE 23 HD11 ILE 23 -6.689 10.054 -4.018
159 HD12 ILE 23 HD12 ILE 23 -6.626 11.097 -2.582
160 HD13 ILE 23 HD13 ILE 23 -5.120 10.446 -3.286
161 H ASN 24 H ASN 24 -1.496 8.754 -0.620
162 HA ASN 24 HA ASN 24 -1.465 9.560 2.159
163 HB2 ASN 24 HB2 ASN 24 -0.667 6.673 1.763
164 HB3 ASN 24 HB3 ASN 24 -0.710 7.591 3.267
165 HD21 ASN 24 HD21 ASN 24 -2.731 6.054 0.682
166 HD22 ASN 24 HD22 ASN 24 -4.161 5.952 1.636
167 H TRP 25 H TRP 25 0.484 7.401 -0.115
168 HA TRP 25 HA TRP 25 2.906 8.510 0.882
169 HB2 TRP 25 HB2 TRP 25 4.022 7.017 -0.421
170 HB3 TRP 25 HB3 TRP 25 2.442 6.248 -0.558
171 HD1 TRP 25 HD1 TRP 25 5.241 6.843 -2.578
172 HE1 TRP 25 HE1 TRP 25 4.774 7.166 -5.011
173 HE3 TRP 25 HE3 TRP 25 0.104 7.741 -2.417
174 HZ2 TRP 25 HZ2 TRP 25 2.720 7.787 -6.681
175 HZ3 TRP 25 HZ3 TRP 25 -0.939 8.551 -4.536
176 HH2 TRP 25 HH2 TRP 25 0.301 8.437 -6.661
177 H LEU 26 H LEU 26 0.628 9.855 -1.480
178 HA LEU 26 HA LEU 26 2.730 11.863 -2.225
179 HB2 LEU 26 HB2 LEU 26 1.858 10.231 -4.050
180 HB3 LEU 26 HB3 LEU 26 0.287 11.025 -3.834
181 HG LEU 26 HG LEU 26 1.857 13.264 -4.293
182 HD11 LEU 26 HD11 LEU 26 3.378 11.052 -5.803
183 HD12 LEU 26 HD12 LEU 26 4.005 11.912 -4.370
184 HD13 LEU 26 HD13 LEU 26 3.688 12.807 -5.881
185 HD21 LEU 26 HD21 LEU 26 0.876 11.352 -6.500
186 HD22 LEU 26 HD22 LEU 26 1.283 13.079 -6.730
187 HD23 LEU 26 HD23 LEU 26 -0.093 12.620 -5.691
188 H ILE 27 H ILE 27 0.940 11.812 0.213
189 HA ILE 27 HA ILE 27 -0.373 14.349 -0.233
190 HB ILE 27 HB ILE 27 -1.860 11.895 -0.713
191 HG12 ILE 27 HG12 ILE 27 -3.029 14.740 -0.686
192 HG13 ILE 27 HG13 ILE 27 -1.930 14.208 -1.972
193 HG21 ILE 27 HG21 ILE 27 -3.951 12.383 0.699
194 HG22 ILE 27 HG22 ILE 27 -2.579 11.825 1.631
195 HG23 ILE 27 HG23 ILE 27 -2.990 13.564 1.614
196 HD11 ILE 27 HD11 ILE 27 -4.192 13.981 -2.787
197 HD12 ILE 27 HD12 ILE 27 -3.455 12.367 -2.614
198 HD13 ILE 27 HD13 ILE 27 -4.669 12.943 -1.431
199 H GLN 28 H GLN 28 -0.335 11.528 2.127
200 HA GLN 28 HA GLN 28 -0.410 13.421 4.349
201 HB2 GLN 28 HB2 GLN 28 0.428 10.461 4.223
202 HB3 GLN 28 HB3 GLN 28 0.310 11.398 5.720
203 HG2 GLN 28 HG2 GLN 28 -2.222 11.468 4.069
204 HG3 GLN 28 HG3 GLN 28 -1.763 9.848 4.618
205 HE21 GLN 28 HE21 GLN 28 -2.213 13.251 5.967
206 HE22 GLN 28 HE22 GLN 28 -2.789 12.669 7.482
207 H THR 29 H THR 29 2.098 11.536 2.466
208 HA THR 29 HA THR 29 4.208 12.604 4.200
209 HB THR 29 HB THR 29 4.451 10.956 1.620
210 HG1 THR 29 HG1 THR 29 3.336 9.747 3.362
211 HG21 THR 29 HG21 THR 29 6.673 10.326 2.580
212 HG22 THR 29 HG22 THR 29 6.422 11.446 3.947
213 HG23 THR 29 HG23 THR 29 6.600 12.083 2.281
214 H LYS 30 H LYS 30 2.775 13.412 0.946
215 HA LYS 30 HA LYS 30 5.124 15.194 0.422
216 HB2 LYS 30 HB2 LYS 30 4.161 13.282 -1.055
217 HB3 LYS 30 HB3 LYS 30 2.923 14.461 -1.551
218 HG2 LYS 30 HG2 LYS 30 6.011 14.672 -1.907
219 HG3 LYS 30 HG3 LYS 30 4.857 14.070 -3.102
220 HD2 LYS 30 HD2 LYS 30 5.108 16.171 -3.952
221 HD3 LYS 30 HD3 LYS 30 3.733 16.498 -2.885
222 HE2 LYS 30 HE2 LYS 30 5.427 17.408 -1.168
223 HE3 LYS 30 HE3 LYS 30 6.736 17.000 -2.293
224 HZ1 LYS 30 HZ1 LYS 30 5.824 18.555 -3.961
225 HZ2 LYS 30 HZ2 LYS 30 6.120 19.375 -2.467
226 HZ3 LYS 30 HZ3 LYS 30 4.491 18.944 -2.907
227 H ILE 31 H ILE 31 2.933 15.829 2.453
228 HA ILE 31 HA ILE 31 2.560 18.566 1.462
229 HB ILE 31 HB ILE 31 0.103 17.033 2.467
230 HG12 ILE 31 HG12 ILE 31 0.674 18.130 -0.349
231 HG13 ILE 31 HG13 ILE 31 0.707 16.415 0.120
232 HG21 ILE 31 HG21 ILE 31 0.244 19.442 3.212
233 HG22 ILE 31 HG22 ILE 31 0.345 19.937 1.502
234 HG23 ILE 31 HG23 ILE 31 -1.120 19.135 2.136
235 HD11 ILE 31 HD11 ILE 31 -1.737 16.544 0.774
236 HD12 ILE 31 HD12 ILE 31 -1.795 18.195 0.090
237 HD13 ILE 31 HD13 ILE 31 -1.416 16.817 -0.961
238 H THR 32 H THR 32 1.506 16.335 4.233
239 HA THR 32 HA THR 32 1.709 18.264 6.205
240 HB THR 32 HB THR 32 2.627 15.341 6.528
241 HG1 THR 32 HG1 THR 32 -0.068 16.314 6.481
242 HG21 THR 32 HG21 THR 32 1.249 17.255 8.505
243 HG22 THR 32 HG22 THR 32 2.968 16.749 8.568
244 HG23 THR 32 HG23 THR 32 1.666 15.542 8.807
245 H ASP 33 H ASP 33 4.348 16.108 4.824
246 HA ASP 33 HA ASP 33 6.344 17.463 6.539
247 HB2 ASP 33 HB2 ASP 33 6.438 14.987 5.978
248 HB3 ASP 33 HB3 ASP 33 6.825 15.433 4.293
Start of MODEL 5
1 H1 HIS 1 H1 HIS 1 6.829 -26.404 -6.669
2 HA HIS 1 HA HIS 1 4.517 -25.523 -6.669
3 HB2 HIS 1 HB2 HIS 1 3.290 -27.648 -7.303
4 HB3 HIS 1 HB3 HIS 1 4.913 -27.574 -8.041
5 HD1 HIS 1 HD1 HIS 1 3.041 -29.254 -5.240
6 HD2 HIS 1 HD2 HIS 1 6.744 -29.422 -7.223
7 HE1 HIS 1 HE1 HIS 1 4.164 -31.363 -4.412
8 H ALA 2 H ALA 2 2.462 -25.373 -5.433
9 HA ALA 2 HA ALA 2 2.082 -27.096 -3.102
10 HB1 ALA 2 HB1 ALA 2 2.820 -24.118 -2.696
11 HB2 ALA 2 HB2 ALA 2 2.283 -25.242 -1.410
12 HB3 ALA 2 HB3 ALA 2 3.850 -25.495 -2.220
13 H ASP 3 H ASP 3 0.388 -26.900 -5.219
14 HA ASP 3 HA ASP 3 -1.834 -26.563 -5.631
15 HB2 ASP 3 HB2 ASP 3 -2.096 -26.789 -3.102
16 HB3 ASP 3 HB3 ASP 3 -2.227 -25.014 -3.016
17 H GLY 4 H GLY 4 -0.566 -23.454 -4.060
18 HA2 GLY 4 HA2 GLY 4 -0.557 -22.104 -6.586
19 HA3 GLY 4 HA3 GLY 4 -2.083 -21.759 -5.728
20 H SER 5 H SER 5 -1.515 -21.442 -3.093
21 HA SER 5 HA SER 5 -0.681 -19.887 -1.601
22 HB2 SER 5 HB2 SER 5 1.275 -21.436 -1.847
23 HB3 SER 5 HB3 SER 5 1.958 -20.349 -3.097
24 HG SER 5 HG SER 5 2.739 -19.792 -0.907
25 H PHE 6 H PHE 6 -2.053 -18.806 -3.851
26 HA PHE 6 HA PHE 6 -0.529 -16.347 -4.509
27 HB2 PHE 6 HB2 PHE 6 -2.572 -15.652 -5.747
28 HB3 PHE 6 HB3 PHE 6 -1.922 -17.208 -6.298
29 HD1 PHE 6 HD2 PHE 6 -4.640 -15.608 -4.256
30 HD2 PHE 6 HD1 PHE 6 -3.272 -19.230 -6.141
31 HE1 PHE 6 HE2 PHE 6 -6.799 -16.700 -3.740
32 HE2 PHE 6 HE1 PHE 6 -5.431 -20.313 -5.628
33 HZ PHE 6 HZ PHE 6 -7.197 -19.057 -4.413
34 H SER 7 H SER 7 -3.195 -17.448 -2.246
35 HA SER 7 HA SER 7 -4.293 -15.062 -1.562
36 HB2 SER 7 HB2 SER 7 -4.979 -17.152 -0.447
37 HB3 SER 7 HB3 SER 7 -3.411 -17.249 0.403
38 HG SER 7 HG SER 7 -5.312 -15.128 0.789
39 H ASP 8 H ASP 8 -1.102 -16.340 -0.252
40 HA ASP 8 HA ASP 8 -0.682 -14.223 1.555
41 HB2 ASP 8 HB2 ASP 8 1.440 -15.768 -0.071
42 HB3 ASP 8 HB3 ASP 8 1.784 -14.715 1.326
43 H GLU 9 H GLU 9 0.437 -14.461 -1.941
44 HA GLU 9 HA GLU 9 1.552 -11.802 -1.758
45 HB2 GLU 9 HB2 GLU 9 2.281 -13.706 -3.370
46 HB3 GLU 9 HB3 GLU 9 0.882 -13.238 -4.374
47 HG2 GLU 9 HG2 GLU 9 1.887 -10.875 -4.507
48 HG3 GLU 9 HG3 GLU 9 3.249 -11.424 -3.496
49 H MET 10 H MET 10 -1.728 -13.048 -2.422
50 HA MET 10 HA MET 10 -2.559 -10.700 -3.922
51 HB2 MET 10 HB2 MET 10 -3.578 -12.953 -4.172
52 HB3 MET 10 HB3 MET 10 -4.196 -12.870 -2.495
53 HG2 MET 10 HG2 MET 10 -5.702 -11.008 -3.054
54 HG3 MET 10 HG3 MET 10 -5.004 -10.877 -4.705
55 HE1 MET 10 HE1 MET 10 -7.742 -10.997 -5.153
56 HE2 MET 10 HE2 MET 10 -8.636 -12.553 -5.180
57 HE3 MET 10 HE3 MET 10 -8.306 -11.738 -3.615
58 H ASN 11 H ASN 11 -2.479 -11.620 -0.395
59 HA ASN 11 HA ASN 11 -4.239 -9.322 0.239
60 HB2 ASN 11 HB2 ASN 11 -2.705 -11.089 2.200
61 HB3 ASN 11 HB3 ASN 11 -4.151 -10.102 2.527
62 HD21 ASN 11 HD21 ASN 11 -5.979 -10.879 0.442
63 HD22 ASN 11 HD22 ASN 11 -6.235 -12.575 0.554
64 H THR 12 H THR 12 -0.695 -10.246 0.628
65 HA THR 12 HA THR 12 -0.094 -7.962 2.203
66 HB THR 12 HB THR 12 2.277 -8.222 1.266
67 HG1 THR 12 HG1 THR 12 2.530 -10.101 -0.157
68 HG21 THR 12 HG21 THR 12 1.588 -9.452 3.335
69 HG22 THR 12 HG22 THR 12 2.686 -10.460 2.355
70 HG23 THR 12 HG23 THR 12 0.936 -10.797 2.358
71 H ILE 13 H ILE 13 -0.174 -8.365 -1.445
72 HA ILE 13 HA ILE 13 0.846 -5.790 -1.955
73 HB ILE 13 HB ILE 13 -0.424 -5.731 -4.108
74 HG12 ILE 13 HG12 ILE 13 -1.703 -8.367 -3.164
75 HG13 ILE 13 HG13 ILE 13 -2.526 -6.815 -3.405
76 HG21 ILE 13 HG21 ILE 13 1.080 -8.349 -3.531
77 HG22 ILE 13 HG22 ILE 13 0.798 -7.660 -5.151
78 HG23 ILE 13 HG23 ILE 13 1.798 -6.790 -3.978
79 HD11 ILE 13 HD11 ILE 13 -3.031 -8.209 -5.287
80 HD12 ILE 13 HD12 ILE 13 -1.918 -6.936 -5.870
81 HD13 ILE 13 HD13 ILE 13 -1.324 -8.605 -5.587
82 H LEU 14 H LEU 14 -2.536 -6.671 -0.933
83 HA LEU 14 HA LEU 14 -3.358 -3.874 -1.356
84 HB2 LEU 14 HB2 LEU 14 -4.793 -6.371 -0.453
85 HB3 LEU 14 HB3 LEU 14 -5.247 -4.899 0.412
86 HG LEU 14 HG LEU 14 -5.775 -3.738 -1.712
87 HD11 LEU 14 HD11 LEU 14 -5.136 -6.421 -3.101
88 HD12 LEU 14 HD12 LEU 14 -4.216 -4.906 -3.325
89 HD13 LEU 14 HD13 LEU 14 -5.896 -5.007 -3.883
90 HD21 LEU 14 HD21 LEU 14 -7.849 -5.012 -2.264
91 HD22 LEU 14 HD22 LEU 14 -7.574 -5.026 -0.504
92 HD23 LEU 14 HD23 LEU 14 -7.187 -6.472 -1.479
93 H ASP 15 H ASP 15 -2.511 -5.902 1.592
94 HA ASP 15 HA ASP 15 -3.042 -3.749 3.346
95 HB2 ASP 15 HB2 ASP 15 -2.617 -6.120 4.106
96 HB3 ASP 15 HB3 ASP 15 -0.888 -5.930 3.721
97 H ASN 16 H ASN 16 0.034 -4.691 1.674
98 HA ASN 16 HA ASN 16 1.469 -2.499 2.992
99 HB2 ASN 16 HB2 ASN 16 2.356 -4.848 2.609
100 HB3 ASN 16 HB3 ASN 16 2.490 -4.473 0.870
101 HD21 ASN 16 HD21 ASN 16 4.746 -5.232 2.584
102 HD22 ASN 16 HD22 ASN 16 5.784 -3.859 2.661
103 H LEU 17 H LEU 17 0.254 -3.281 -0.387
104 HA LEU 17 HA LEU 17 1.545 -0.736 -1.290
105 HB2 LEU 17 HB2 LEU 17 1.817 -3.328 -2.265
106 HB3 LEU 17 HB3 LEU 17 0.578 -2.711 -3.358
107 HG LEU 17 HG LEU 17 3.367 -1.521 -2.817
108 HD11 LEU 17 HD11 LEU 17 3.359 -3.657 -4.155
109 HD12 LEU 17 HD12 LEU 17 3.893 -2.264 -5.129
110 HD13 LEU 17 HD13 LEU 17 2.237 -2.907 -5.326
111 HD21 LEU 17 HD21 LEU 17 1.793 0.350 -3.396
112 HD22 LEU 17 HD22 LEU 17 1.218 -0.548 -4.821
113 HD23 LEU 17 HD23 LEU 17 2.902 0.042 -4.743
114 H ALA 18 H ALA 18 -0.602 -0.137 0.168
115 HA ALA 18 HA ALA 18 -2.260 1.109 -1.832
116 HB1 ALA 18 HB1 ALA 18 -3.834 -0.850 -0.056
117 HB2 ALA 18 HB2 ALA 18 -4.453 0.176 -1.363
118 HB3 ALA 18 HB3 ALA 18 -3.392 -1.208 -1.751
119 H ALA 19 H ALA 19 -2.349 0.075 1.729
120 HA ALA 19 HA ALA 19 -3.650 2.320 2.700
121 HB1 ALA 19 HB1 ALA 19 -2.855 0.494 4.217
122 HB2 ALA 19 HB2 ALA 19 -1.153 0.973 3.937
123 HB3 ALA 19 HB3 ALA 19 -2.266 2.083 4.795
124 H ARG 20 H ARG 20 -0.087 2.011 1.810
125 HA ARG 20 HA ARG 20 -0.032 5.021 1.779
126 HB2 ARG 20 HB2 ARG 20 2.329 3.122 2.200
127 HB3 ARG 20 HB3 ARG 20 2.361 4.909 2.181
128 HG2 ARG 20 HG2 ARG 20 0.720 4.873 4.154
129 HG3 ARG 20 HG3 ARG 20 0.958 3.117 4.249
130 HD2 ARG 20 HD2 ARG 20 3.416 3.445 4.531
131 HD3 ARG 20 HD3 ARG 20 3.264 5.190 4.509
132 HE ARG 20 HE ARG 20 2.661 3.324 6.696
133 HH11 ARG 20 HH12 ARG 20 1.737 6.580 5.408
134 HH12 ARG 20 HH11 ARG 20 1.183 7.106 6.990
135 HH21 ARG 20 HH22 ARG 20 1.923 4.119 8.658
136 HH22 ARG 20 HH21 ARG 20 1.287 5.760 8.784
137 H ASP 21 H ASP 21 -1.163 3.544 -0.439
138 HA ASP 21 HA ASP 21 0.641 4.952 -2.308
139 HB2 ASP 21 HB2 ASP 21 1.238 2.386 -2.117
140 HB3 ASP 21 HB3 ASP 21 -0.267 2.113 -3.026
141 H PHE 22 H PHE 22 -2.208 5.368 -1.194
142 HA PHE 22 HA PHE 22 -3.540 5.467 -3.879
143 HB2 PHE 22 HB2 PHE 22 -4.391 4.056 -1.763
144 HB3 PHE 22 HB3 PHE 22 -5.009 5.617 -1.211
145 HD1 PHE 22 HD2 PHE 22 -5.128 2.986 -3.832
146 HD2 PHE 22 HD1 PHE 22 -6.866 6.717 -2.566
147 HE1 PHE 22 HE2 PHE 22 -7.045 2.604 -5.344
148 HE2 PHE 22 HE1 PHE 22 -8.769 6.341 -4.108
149 HZ PHE 22 HZ PHE 22 -8.873 4.279 -5.484
150 H ILE 23 H ILE 23 -2.229 7.541 -1.287
151 HA ILE 23 HA ILE 23 -3.003 9.850 -2.749
152 HB ILE 23 HB ILE 23 -4.038 10.903 -0.470
153 HG12 ILE 23 HG12 ILE 23 -5.126 8.013 -0.471
154 HG13 ILE 23 HG13 ILE 23 -4.072 8.736 0.772
155 HG21 ILE 23 HG21 ILE 23 -5.890 9.514 -2.483
156 HG22 ILE 23 HG22 ILE 23 -6.214 10.982 -1.520
157 HG23 ILE 23 HG23 ILE 23 -5.015 11.042 -2.820
158 HD11 ILE 23 HD11 ILE 23 -6.991 9.519 0.169
159 HD12 ILE 23 HD12 ILE 23 -6.339 8.770 1.646
160 HD13 ILE 23 HD13 ILE 23 -5.906 10.460 1.248
161 H ASN 24 H ASN 24 -1.777 8.719 0.562
162 HA ASN 24 HA ASN 24 -0.366 10.835 1.291
163 HB2 ASN 24 HB2 ASN 24 1.167 9.479 2.477
164 HB3 ASN 24 HB3 ASN 24 -0.225 8.394 2.316
165 HD21 ASN 24 HD21 ASN 24 -0.043 6.950 0.048
166 HD22 ASN 24 HD22 ASN 24 1.565 6.407 -0.285
167 H TRP 25 H TRP 25 0.621 8.736 -1.538
168 HA TRP 25 HA TRP 25 3.169 10.198 -1.735
169 HB2 TRP 25 HB2 TRP 25 3.886 8.469 -3.034
170 HB3 TRP 25 HB3 TRP 25 2.433 7.590 -2.560
171 HD1 TRP 25 HD1 TRP 25 4.184 9.143 -5.488
172 HE1 TRP 25 HE1 TRP 25 2.856 8.857 -7.598
173 HE3 TRP 25 HE3 TRP 25 -0.309 7.446 -3.484
174 HZ2 TRP 25 HZ2 TRP 25 0.358 8.121 -8.415
175 HZ3 TRP 25 HZ3 TRP 25 -2.195 7.109 -5.092
176 HH2 TRP 25 HH2 TRP 25 -1.864 7.400 -7.514
177 H LEU 26 H LEU 26 -0.058 10.053 -3.369
178 HA LEU 26 HA LEU 26 0.740 11.880 -5.473
179 HB2 LEU 26 HB2 LEU 26 -0.828 10.217 -5.923
180 HB3 LEU 26 HB3 LEU 26 -1.918 10.653 -4.606
181 HG LEU 26 HG LEU 26 -1.423 12.707 -6.756
182 HD11 LEU 26 HD11 LEU 26 -3.359 10.303 -6.969
183 HD12 LEU 26 HD12 LEU 26 -1.968 10.615 -8.041
184 HD13 LEU 26 HD13 LEU 26 -3.374 11.716 -8.065
185 HD21 LEU 26 HD21 LEU 26 -3.719 13.429 -6.152
186 HD22 LEU 26 HD22 LEU 26 -2.813 13.205 -4.623
187 HD23 LEU 26 HD23 LEU 26 -3.974 11.971 -5.157
188 H ILE 27 H ILE 27 0.164 12.522 -2.088
189 HA ILE 27 HA ILE 27 -1.201 14.828 -2.075
190 HB ILE 27 HB ILE 27 0.347 15.798 -0.330
191 HG12 ILE 27 HG12 ILE 27 2.001 13.721 0.530
192 HG13 ILE 27 HG13 ILE 27 2.191 13.532 -1.224
193 HG21 ILE 27 HG21 ILE 27 -0.575 12.933 0.111
194 HG22 ILE 27 HG22 ILE 27 -0.228 14.131 1.387
195 HG23 ILE 27 HG23 ILE 27 -1.582 14.397 0.264
196 HD11 ILE 27 HD11 ILE 27 3.948 14.957 -0.273
197 HD12 ILE 27 HD12 ILE 27 2.915 15.996 -1.288
198 HD13 ILE 27 HD13 ILE 27 2.744 16.039 0.488
199 H GLN 28 H GLN 28 2.312 14.853 -3.276
200 HA GLN 28 HA GLN 28 1.316 17.036 -5.043
201 HB2 GLN 28 HB2 GLN 28 3.889 17.324 -3.380
202 HB3 GLN 28 HB3 GLN 28 3.372 18.405 -4.698
203 HG2 GLN 28 HG2 GLN 28 1.165 18.755 -3.281
204 HG3 GLN 28 HG3 GLN 28 2.159 18.226 -1.900
205 HE21 GLN 28 HE21 GLN 28 4.686 19.442 -2.339
206 HE22 GLN 28 HE22 GLN 28 4.455 21.147 -2.492
207 H THR 29 H THR 29 2.072 14.062 -5.441
208 HA THR 29 HA THR 29 4.379 14.476 -7.257
209 HB THR 29 HB THR 29 2.729 11.954 -6.697
210 HG1 THR 29 HG1 THR 29 5.236 12.790 -5.586
211 HG21 THR 29 HG21 THR 29 3.872 11.819 -8.897
212 HG22 THR 29 HG22 THR 29 4.706 10.789 -7.699
213 HG23 THR 29 HG23 THR 29 5.407 12.366 -8.159
214 H LYS 30 H LYS 30 0.728 13.875 -7.351
215 HA LYS 30 HA LYS 30 0.895 14.526 -10.275
216 HB2 LYS 30 HB2 LYS 30 0.343 12.064 -9.150
217 HB3 LYS 30 HB3 LYS 30 -1.281 12.757 -9.129
218 HG2 LYS 30 HG2 LYS 30 0.173 12.924 -11.804
219 HG3 LYS 30 HG3 LYS 30 -0.165 11.292 -11.203
220 HD2 LYS 30 HD2 LYS 30 -2.591 11.829 -10.956
221 HD3 LYS 30 HD3 LYS 30 -2.297 13.452 -11.645
222 HE2 LYS 30 HE2 LYS 30 -1.453 12.395 -13.764
223 HE3 LYS 30 HE3 LYS 30 -1.675 10.773 -13.056
224 HZ1 LYS 30 HZ1 LYS 30 -4.100 11.174 -12.892
225 HZ2 LYS 30 HZ2 LYS 30 -3.546 11.350 -14.525
226 HZ3 LYS 30 HZ3 LYS 30 -3.900 12.770 -13.575
227 H ILE 31 H ILE 31 0.491 16.370 -7.878
228 HA ILE 31 HA ILE 31 -2.128 17.464 -8.877
229 HB ILE 31 HB ILE 31 -0.970 17.802 -6.057
230 HG12 ILE 31 HG12 ILE 31 -3.339 16.133 -7.086
231 HG13 ILE 31 HG13 ILE 31 -1.840 15.548 -6.327
232 HG21 ILE 31 HG21 ILE 31 -2.206 19.837 -7.003
233 HG22 ILE 31 HG22 ILE 31 -3.636 18.795 -7.240
234 HG23 ILE 31 HG23 ILE 31 -3.006 19.129 -5.599
235 HD11 ILE 31 HD11 ILE 31 -4.121 17.134 -4.972
236 HD12 ILE 31 HD12 ILE 31 -3.575 15.496 -4.589
237 HD13 ILE 31 HD13 ILE 31 -2.531 16.881 -4.197
238 H THR 32 H THR 32 1.011 18.498 -7.206
239 HA THR 32 HA THR 32 0.758 21.161 -8.101
240 HB THR 32 HB THR 32 3.255 19.541 -7.330
241 HG1 THR 32 HG1 THR 32 1.655 20.078 -5.591
242 HG21 THR 32 HG21 THR 32 4.051 21.462 -8.708
243 HG22 THR 32 HG22 THR 32 4.348 21.783 -6.982
244 HG23 THR 32 HG23 THR 32 2.970 22.571 -7.806
245 H ASP 33 H ASP 33 1.869 18.226 -9.898
246 HA ASP 33 HA ASP 33 2.339 18.017 -12.138
247 HB2 ASP 33 HB2 ASP 33 0.335 19.556 -12.426
248 HB3 ASP 33 HB3 ASP 33 1.450 20.940 -12.555
Start of MODEL 6
1 H1 HIS 1 H1 HIS 1 8.078 -22.019 -8.614
2 HA HIS 1 HA HIS 1 6.090 -22.916 -7.358
3 HB2 HIS 1 HB2 HIS 1 8.072 -25.252 -7.186
4 HB3 HIS 1 HB3 HIS 1 6.733 -25.092 -6.018
5 HD1 HIS 1 HD1 HIS 1 4.316 -25.064 -6.970
6 HD2 HIS 1 HD2 HIS 1 7.338 -26.158 -9.682
7 HE1 HIS 1 HE1 HIS 1 3.125 -26.174 -8.901
8 H ALA 2 H ALA 2 6.314 -21.166 -5.813
9 HA ALA 2 HA ALA 2 8.770 -20.873 -4.300
10 HB1 ALA 2 HB1 ALA 2 5.984 -19.659 -3.777
11 HB2 ALA 2 HB2 ALA 2 7.491 -19.243 -2.911
12 HB3 ALA 2 HB3 ALA 2 7.335 -18.905 -4.663
13 H ASP 3 H ASP 3 5.366 -21.948 -3.342
14 HA ASP 3 HA ASP 3 6.398 -24.179 -1.858
15 HB2 ASP 3 HB2 ASP 3 7.264 -22.583 -0.218
16 HB3 ASP 3 HB3 ASP 3 5.766 -21.639 -0.239
17 H GLY 4 H GLY 4 3.679 -21.736 -1.347
18 HA2 GLY 4 HA2 GLY 4 1.608 -22.949 -2.553
19 HA3 GLY 4 HA3 GLY 4 1.806 -24.032 -1.150
20 H SER 5 H SER 5 1.663 -20.431 -1.842
21 HA SER 5 HA SER 5 -0.518 -20.137 0.089
22 HB2 SER 5 HB2 SER 5 0.739 -18.693 1.679
23 HB3 SER 5 HB3 SER 5 1.428 -20.336 1.683
24 HG SER 5 HG SER 5 3.116 -19.453 0.242
25 H PHE 6 H PHE 6 -0.835 -19.574 -2.437
26 HA PHE 6 HA PHE 6 0.343 -17.124 -3.311
27 HB2 PHE 6 HB2 PHE 6 -1.165 -19.004 -4.650
28 HB3 PHE 6 HB3 PHE 6 -2.406 -17.768 -4.422
29 HD1 PHE 6 HD1 PHE 6 -1.419 -15.235 -4.904
30 HD2 PHE 6 HD2 PHE 6 0.091 -18.867 -6.645
31 HE1 PHE 6 HE1 PHE 6 -0.405 -13.934 -6.744
32 HE2 PHE 6 HE2 PHE 6 1.066 -17.571 -8.498
33 HZ PHE 6 HZ PHE 6 0.840 -15.100 -8.551
34 H SER 7 H SER 7 -2.884 -17.934 -1.795
35 HA SER 7 HA SER 7 -4.041 -15.465 -1.770
36 HB2 SER 7 HB2 SER 7 -5.166 -17.450 -0.775
37 HB3 SER 7 HB3 SER 7 -3.994 -17.456 0.570
38 HG SER 7 HG SER 7 -5.850 -15.315 0.052
39 H ASP 8 H ASP 8 -1.569 -16.630 0.691
40 HA ASP 8 HA ASP 8 -1.751 -14.403 2.371
41 HB2 ASP 8 HB2 ASP 8 -0.384 -16.386 2.966
42 HB3 ASP 8 HB3 ASP 8 0.795 -15.998 1.689
43 H GLU 9 H GLU 9 0.448 -14.879 -0.522
44 HA GLU 9 HA GLU 9 1.590 -12.267 -0.258
45 HB2 GLU 9 HB2 GLU 9 2.634 -14.154 -1.539
46 HB3 GLU 9 HB3 GLU 9 1.352 -14.026 -2.779
47 HG2 GLU 9 HG2 GLU 9 2.121 -11.702 -3.339
48 HG3 GLU 9 HG3 GLU 9 3.317 -11.760 -2.014
49 H MET 10 H MET 10 -1.287 -13.553 -2.067
50 HA MET 10 HA MET 10 -1.754 -11.218 -3.588
51 HB2 MET 10 HB2 MET 10 -2.864 -13.479 -3.891
52 HB3 MET 10 HB3 MET 10 -3.894 -13.126 -2.479
53 HG2 MET 10 HG2 MET 10 -4.945 -11.222 -3.663
54 HG3 MET 10 HG3 MET 10 -3.801 -11.369 -5.031
55 HE1 MET 10 HE1 MET 10 -3.482 -14.031 -6.161
56 HE2 MET 10 HE2 MET 10 -5.012 -14.505 -6.957
57 HE3 MET 10 HE3 MET 10 -4.376 -12.842 -7.163
58 H ASN 11 H ASN 11 -2.265 -11.791 -0.074
59 HA ASN 11 HA ASN 11 -4.069 -9.471 0.119
60 HB2 ASN 11 HB2 ASN 11 -2.534 -10.807 2.398
61 HB3 ASN 11 HB3 ASN 11 -4.040 -9.867 2.504
62 HD21 ASN 11 HD21 ASN 11 -5.766 -11.053 0.566
63 HD22 ASN 11 HD22 ASN 11 -5.926 -12.729 0.918
64 H THR 12 H THR 12 -0.507 -10.179 0.664
65 HA THR 12 HA THR 12 -0.010 -7.673 1.912
66 HB THR 12 HB THR 12 2.377 -7.942 1.149
67 HG1 THR 12 HG1 THR 12 2.819 -9.909 -0.100
68 HG21 THR 12 HG21 THR 12 1.616 -9.041 3.274
69 HG22 THR 12 HG22 THR 12 2.869 -10.008 2.449
70 HG23 THR 12 HG23 THR 12 1.160 -10.512 2.367
71 H ILE 13 H ILE 13 0.084 -8.624 -1.632
72 HA ILE 13 HA ILE 13 1.109 -6.156 -2.507
73 HB ILE 13 HB ILE 13 0.030 -6.431 -4.683
74 HG12 ILE 13 HG12 ILE 13 -1.593 -8.665 -3.375
75 HG13 ILE 13 HG13 ILE 13 -2.243 -7.130 -4.014
76 HG21 ILE 13 HG21 ILE 13 2.067 -7.852 -4.041
77 HG22 ILE 13 HG22 ILE 13 0.958 -9.225 -3.766
78 HG23 ILE 13 HG23 ILE 13 1.102 -8.493 -5.384
79 HD11 ILE 13 HD11 ILE 13 -1.506 -7.828 -6.338
80 HD12 ILE 13 HD12 ILE 13 -1.092 -9.444 -5.678
81 HD13 ILE 13 HD13 ILE 13 -2.770 -8.862 -5.612
82 H LEU 14 H LEU 14 -2.257 -6.943 -1.411
83 HA LEU 14 HA LEU 14 -3.198 -4.402 -2.515
84 HB2 LEU 14 HB2 LEU 14 -4.469 -6.664 -2.255
85 HB3 LEU 14 HB3 LEU 14 -4.801 -6.151 -0.587
86 HG LEU 14 HG LEU 14 -5.493 -4.545 -3.152
87 HD11 LEU 14 HD11 LEU 14 -7.326 -6.358 -1.471
88 HD12 LEU 14 HD12 LEU 14 -6.742 -6.701 -3.126
89 HD13 LEU 14 HD13 LEU 14 -7.841 -5.329 -2.840
90 HD21 LEU 14 HD21 LEU 14 -7.026 -3.235 -1.671
91 HD22 LEU 14 HD22 LEU 14 -5.351 -3.105 -1.089
92 HD23 LEU 14 HD23 LEU 14 -6.499 -4.186 -0.252
93 H ASP 15 H ASP 15 -2.734 -5.783 0.879
94 HA ASP 15 HA ASP 15 -3.341 -3.393 2.207
95 HB2 ASP 15 HB2 ASP 15 -2.943 -5.543 3.413
96 HB3 ASP 15 HB3 ASP 15 -1.213 -5.485 3.004
97 H ASN 16 H ASN 16 -0.082 -4.522 1.013
98 HA ASN 16 HA ASN 16 1.166 -2.099 2.052
99 HB2 ASN 16 HB2 ASN 16 2.231 -4.382 2.011
100 HB3 ASN 16 HB3 ASN 16 2.378 -4.256 0.236
101 HD21 ASN 16 HD21 ASN 16 4.681 -4.650 1.862
102 HD22 ASN 16 HD22 ASN 16 5.621 -3.205 1.824
103 H LEU 17 H LEU 17 0.228 -3.362 -1.268
104 HA LEU 17 HA LEU 17 1.430 -0.865 -2.398
105 HB2 LEU 17 HB2 LEU 17 1.966 -3.490 -2.993
106 HB3 LEU 17 HB3 LEU 17 0.722 -3.173 -4.213
107 HG LEU 17 HG LEU 17 3.335 -1.594 -3.767
108 HD11 LEU 17 HD11 LEU 17 4.073 -2.639 -5.907
109 HD12 LEU 17 HD12 LEU 17 2.532 -3.533 -6.026
110 HD13 LEU 17 HD13 LEU 17 3.680 -3.897 -4.708
111 HD21 LEU 17 HD21 LEU 17 2.802 -0.434 -5.924
112 HD22 LEU 17 HD22 LEU 17 1.550 -0.080 -4.710
113 HD23 LEU 17 HD23 LEU 17 1.224 -1.271 -6.001
114 H ALA 18 H ALA 18 -0.893 -0.280 -1.157
115 HA ALA 18 HA ALA 18 -2.384 0.676 -3.455
116 HB1 ALA 18 HB1 ALA 18 -3.459 -1.642 -3.132
117 HB2 ALA 18 HB2 ALA 18 -4.019 -1.079 -1.531
118 HB3 ALA 18 HB3 ALA 18 -4.583 -0.258 -3.000
119 H ALA 19 H ALA 19 -2.798 0.140 0.195
120 HA ALA 19 HA ALA 19 -4.110 2.552 0.716
121 HB1 ALA 19 HB1 ALA 19 -1.826 1.274 2.367
122 HB2 ALA 19 HB2 ALA 19 -2.961 2.523 2.965
123 HB3 ALA 19 HB3 ALA 19 -3.569 0.898 2.527
124 H ARG 20 H ARG 20 -0.582 1.909 0.034
125 HA ARG 20 HA ARG 20 0.505 4.306 0.654
126 HB2 ARG 20 HB2 ARG 20 1.780 2.431 -0.466
127 HB3 ARG 20 HB3 ARG 20 1.006 2.863 -2.014
128 HG2 ARG 20 HG2 ARG 20 2.053 5.195 -1.789
129 HG3 ARG 20 HG3 ARG 20 2.884 4.651 -0.312
130 HD2 ARG 20 HD2 ARG 20 4.133 2.962 -1.604
131 HD3 ARG 20 HD3 ARG 20 3.210 3.391 -3.091
132 HE ARG 20 HE ARG 20 4.429 5.776 -2.084
133 HH11 ARG 20 HH12 ARG 20 5.387 2.650 -3.599
134 HH12 ARG 20 HH11 ARG 20 6.798 3.374 -4.360
135 HH21 ARG 20 HH22 ARG 20 6.253 6.607 -3.103
136 HH22 ARG 20 HH21 ARG 20 7.285 5.566 -4.087
137 H ASP 21 H ASP 21 -1.535 3.615 -2.335
138 HA ASP 21 HA ASP 21 -1.278 6.378 -3.246
139 HB2 ASP 21 HB2 ASP 21 -3.265 4.239 -4.127
140 HB3 ASP 21 HB3 ASP 21 -2.902 5.771 -4.971
141 H PHE 22 H PHE 22 -1.861 7.013 -0.800
142 HA PHE 22 HA PHE 22 -4.049 8.621 -1.007
143 HB2 PHE 22 HB2 PHE 22 -4.931 5.921 -0.046
144 HB3 PHE 22 HB3 PHE 22 -5.424 7.250 1.016
145 HD1 PHE 22 HD1 PHE 22 -6.263 9.466 -0.170
146 HD2 PHE 22 HD2 PHE 22 -6.629 5.493 -1.784
147 HE1 PHE 22 HE1 PHE 22 -8.047 10.246 -1.691
148 HE2 PHE 22 HE2 PHE 22 -8.413 6.281 -3.301
149 HZ PHE 22 HZ PHE 22 -9.118 8.659 -3.273
150 H ILE 23 H ILE 23 -2.860 10.194 0.192
151 HA ILE 23 HA ILE 23 -1.718 11.118 1.941
152 HB ILE 23 HB ILE 23 -2.872 8.977 3.774
153 HG12 ILE 23 HG12 ILE 23 -4.771 9.718 2.380
154 HG13 ILE 23 HG13 ILE 23 -4.929 10.293 4.044
155 HG21 ILE 23 HG21 ILE 23 -1.307 10.513 4.922
156 HG22 ILE 23 HG22 ILE 23 -2.142 11.932 4.253
157 HG23 ILE 23 HG23 ILE 23 -2.965 10.873 5.428
158 HD11 ILE 23 HD11 ILE 23 -5.605 12.032 2.383
159 HD12 ILE 23 HD12 ILE 23 -4.235 12.603 3.357
160 HD13 ILE 23 HD13 ILE 23 -3.971 12.041 1.680
161 H ASN 24 H ASN 24 -0.399 9.194 0.189
162 HA ASN 24 HA ASN 24 1.945 9.222 1.844
163 HB2 ASN 24 HB2 ASN 24 1.499 6.442 0.726
164 HB3 ASN 24 HB3 ASN 24 2.713 6.990 1.868
165 HD21 ASN 24 HD21 ASN 24 -0.883 6.440 1.460
166 HD22 ASN 24 HD22 ASN 24 -1.162 6.098 3.123
167 H TRP 25 H TRP 25 0.746 7.608 -1.272
168 HA TRP 25 HA TRP 25 3.224 8.135 -2.548
169 HB2 TRP 25 HB2 TRP 25 2.394 7.174 -4.431
170 HB3 TRP 25 HB3 TRP 25 1.081 6.628 -3.397
171 HD1 TRP 25 HD1 TRP 25 1.552 7.899 -6.648
172 HE1 TRP 25 HE1 TRP 25 -0.400 9.158 -7.582
173 HE3 TRP 25 HE3 TRP 25 -1.115 8.818 -2.266
174 HZ2 TRP 25 HZ2 TRP 25 -2.677 10.390 -6.761
175 HZ3 TRP 25 HZ3 TRP 25 -3.142 10.260 -2.474
176 HH2 TRP 25 HH2 TRP 25 -3.966 10.963 -4.690
177 H LEU 26 H LEU 26 0.617 10.340 -1.716
178 HA LEU 26 HA LEU 26 1.649 12.324 -3.682
179 HB2 LEU 26 HB2 LEU 26 -0.733 11.896 -3.770
180 HB3 LEU 26 HB3 LEU 26 -0.916 12.154 -2.014
181 HG LEU 26 HG LEU 26 -0.340 14.564 -2.283
182 HD11 LEU 26 HD11 LEU 26 -0.163 13.911 -5.294
183 HD12 LEU 26 HD12 LEU 26 1.149 14.564 -4.265
184 HD13 LEU 26 HD13 LEU 26 -0.272 15.564 -4.626
185 HD21 LEU 26 HD21 LEU 26 -2.458 15.225 -3.460
186 HD22 LEU 26 HD22 LEU 26 -2.739 13.795 -2.436
187 HD23 LEU 26 HD23 LEU 26 -2.570 13.605 -4.204
188 H ILE 27 H ILE 27 0.896 11.929 -0.056
189 HA ILE 27 HA ILE 27 2.232 14.516 0.329
190 HB ILE 27 HB ILE 27 0.011 13.636 1.456
191 HG12 ILE 27 HG12 ILE 27 0.570 14.933 3.626
192 HG13 ILE 27 HG13 ILE 27 2.188 15.206 2.936
193 HG21 ILE 27 HG21 ILE 27 0.209 12.436 3.543
194 HG22 ILE 27 HG22 ILE 27 1.213 11.518 2.396
195 HG23 ILE 27 HG23 ILE 27 1.967 12.640 3.569
196 HD11 ILE 27 HD11 ILE 27 1.062 16.425 0.976
197 HD12 ILE 27 HD12 ILE 27 -0.527 16.049 1.698
198 HD13 ILE 27 HD13 ILE 27 0.612 17.127 2.548
199 H GLN 28 H GLN 28 3.160 11.084 0.663
200 HA GLN 28 HA GLN 28 5.714 11.978 2.013
201 HB2 GLN 28 HB2 GLN 28 4.342 9.250 1.937
202 HB3 GLN 28 HB3 GLN 28 5.960 9.525 2.607
203 HG2 GLN 28 HG2 GLN 28 5.161 10.581 4.550
204 HG3 GLN 28 HG3 GLN 28 3.780 11.286 3.700
205 HE21 GLN 28 HE21 GLN 28 2.252 10.607 5.417
206 HE22 GLN 28 HE22 GLN 28 1.843 8.940 5.576
207 H THR 29 H THR 29 6.178 12.754 -0.355
208 HA THR 29 HA THR 29 7.633 10.519 -1.624
209 HB THR 29 HB THR 29 6.411 11.736 -3.886
210 HG1 THR 29 HG1 THR 29 4.681 12.587 -2.473
211 HG21 THR 29 HG21 THR 29 5.568 9.125 -2.509
212 HG22 THR 29 HG22 THR 29 6.947 9.300 -3.639
213 HG23 THR 29 HG23 THR 29 5.283 9.565 -4.215
214 H LYS 30 H LYS 30 6.734 13.961 -2.567
215 HA LYS 30 HA LYS 30 9.709 14.516 -2.491
216 HB2 LYS 30 HB2 LYS 30 7.545 15.404 -4.492
217 HB3 LYS 30 HB3 LYS 30 9.166 16.144 -4.382
218 HG2 LYS 30 HG2 LYS 30 10.273 14.041 -4.930
219 HG3 LYS 30 HG3 LYS 30 8.722 13.157 -4.962
220 HD2 LYS 30 HD2 LYS 30 7.979 14.274 -6.969
221 HD3 LYS 30 HD3 LYS 30 9.146 15.605 -6.777
222 HE2 LYS 30 HE2 LYS 30 9.828 14.156 -8.634
223 HE3 LYS 30 HE3 LYS 30 11.045 14.153 -7.333
224 HZ1 LYS 30 HZ1 LYS 30 8.977 11.979 -7.803
225 HZ2 LYS 30 HZ2 LYS 30 10.234 11.946 -6.586
226 HZ3 LYS 30 HZ3 LYS 30 10.656 11.906 -8.264
227 H ILE 31 H ILE 31 7.821 14.749 -0.252
228 HA ILE 31 HA ILE 31 7.829 17.744 0.036
229 HB ILE 31 HB ILE 31 5.526 15.807 0.550
230 HG12 ILE 31 HG12 ILE 31 5.221 18.339 -1.119
231 HG13 ILE 31 HG13 ILE 31 6.014 16.948 -1.875
232 HG21 ILE 31 HG21 ILE 31 5.765 18.778 1.309
233 HG22 ILE 31 HG22 ILE 31 4.261 17.818 1.417
234 HG23 ILE 31 HG23 ILE 31 5.652 17.406 2.446
235 HD11 ILE 31 HD11 ILE 31 4.168 15.463 -1.398
236 HD12 ILE 31 HD12 ILE 31 3.233 16.770 -0.608
237 HD13 ILE 31 HD13 ILE 31 3.604 16.859 -2.356
238 H THR 32 H THR 32 6.969 14.694 1.971
239 HA THR 32 HA THR 32 7.924 15.776 4.383
240 HB THR 32 HB THR 32 7.902 12.845 3.437
241 HG1 THR 32 HG1 THR 32 5.760 13.005 4.502
242 HG21 THR 32 HG21 THR 32 7.965 14.032 6.290
243 HG22 THR 32 HG22 THR 32 9.302 13.123 5.515
244 HG23 THR 32 HG23 THR 32 7.764 12.301 5.890
245 H ASP 33 H ASP 33 9.653 13.898 1.752
246 HA ASP 33 HA ASP 33 12.254 14.624 3.105
247 HB2 ASP 33 HB2 ASP 33 11.788 12.165 2.791
248 HB3 ASP 33 HB3 ASP 33 11.641 12.433 1.034
Start of MODEL 7
1 H1 HIS 1 H1 HIS 1 3.879 -25.284 -0.287
2 HA HIS 1 HA HIS 1 3.874 -22.385 -0.963
3 HB2 HIS 1 HB2 HIS 1 6.225 -24.202 -0.103
4 HB3 HIS 1 HB3 HIS 1 6.461 -22.549 -0.724
5 HD1 HIS 1 HD1 HIS 1 4.972 -20.673 0.587
6 HD2 HIS 1 HD2 HIS 1 5.919 -24.252 2.584
7 HE1 HIS 1 HE1 HIS 1 4.698 -20.174 3.052
8 H ALA 2 H ALA 2 5.481 -21.888 -2.866
9 HA ALA 2 HA ALA 2 5.979 -22.207 -5.097
10 HB1 ALA 2 HB1 ALA 2 7.482 -23.967 -4.229
11 HB2 ALA 2 HB2 ALA 2 6.185 -25.188 -4.365
12 HB3 ALA 2 HB3 ALA 2 6.803 -24.382 -5.832
13 H ASP 3 H ASP 3 3.778 -21.374 -5.516
14 HA ASP 3 HA ASP 3 1.894 -21.506 -6.798
15 HB2 ASP 3 HB2 ASP 3 3.401 -23.452 -7.975
16 HB3 ASP 3 HB3 ASP 3 2.073 -24.474 -7.381
17 H GLY 4 H GLY 4 2.192 -22.649 -3.728
18 HA2 GLY 4 HA2 GLY 4 -0.771 -23.124 -3.654
19 HA3 GLY 4 HA3 GLY 4 0.372 -24.211 -2.814
20 H SER 5 H SER 5 0.898 -20.632 -3.190
21 HA SER 5 HA SER 5 -0.309 -20.072 -0.555
22 HB2 SER 5 HB2 SER 5 1.913 -21.073 0.056
23 HB3 SER 5 HB3 SER 5 2.740 -19.896 -1.002
24 HG SER 5 HG SER 5 1.848 -18.241 0.490
25 H PHE 6 H PHE 6 -1.101 -19.151 -3.063
26 HA PHE 6 HA PHE 6 0.272 -16.629 -3.608
27 HB2 PHE 6 HB2 PHE 6 -1.463 -16.204 -5.271
28 HB3 PHE 6 HB3 PHE 6 -0.844 -17.859 -5.451
29 HD1 PHE 6 HD2 PHE 6 -3.709 -15.787 -4.210
30 HD2 PHE 6 HD1 PHE 6 -2.370 -19.772 -5.143
31 HE1 PHE 6 HE2 PHE 6 -6.016 -16.627 -3.937
32 HE2 PHE 6 HE1 PHE 6 -4.674 -20.609 -4.857
33 HZ PHE 6 HZ PHE 6 -6.507 -19.044 -4.253
34 H SER 7 H SER 7 -2.689 -17.706 -1.755
35 HA SER 7 HA SER 7 -3.973 -15.311 -1.469
36 HB2 SER 7 HB2 SER 7 -4.803 -17.378 -0.402
37 HB3 SER 7 HB3 SER 7 -3.449 -17.347 0.772
38 HG SER 7 HG SER 7 -5.412 -16.289 1.637
39 H ASP 8 H ASP 8 -1.068 -16.384 0.516
40 HA ASP 8 HA ASP 8 -1.050 -14.169 2.245
41 HB2 ASP 8 HB2 ASP 8 1.377 -15.666 1.077
42 HB3 ASP 8 HB3 ASP 8 1.448 -14.498 2.421
43 H GLU 9 H GLU 9 0.574 -14.516 -1.017
44 HA GLU 9 HA GLU 9 1.640 -11.865 -0.897
45 HB2 GLU 9 HB2 GLU 9 2.363 -13.826 -2.477
46 HB3 GLU 9 HB3 GLU 9 0.972 -13.373 -3.491
47 HG2 GLU 9 HG2 GLU 9 3.025 -12.286 -4.348
48 HG3 GLU 9 HG3 GLU 9 1.970 -11.019 -3.669
49 H MET 10 H MET 10 -1.462 -13.257 -2.144
50 HA MET 10 HA MET 10 -2.340 -10.957 -3.524
51 HB2 MET 10 HB2 MET 10 -3.371 -13.315 -3.575
52 HB3 MET 10 HB3 MET 10 -4.151 -12.921 -2.014
53 HG2 MET 10 HG2 MET 10 -5.380 -11.016 -3.158
54 HG3 MET 10 HG3 MET 10 -4.551 -11.429 -4.696
55 HE1 MET 10 HE1 MET 10 -7.712 -11.261 -4.422
56 HE2 MET 10 HE2 MET 10 -6.918 -11.779 -5.948
57 HE3 MET 10 HE3 MET 10 -8.249 -12.759 -5.250
58 H ASN 11 H ASN 11 -2.117 -11.569 0.019
59 HA ASN 11 HA ASN 11 -3.990 -9.357 0.591
60 HB2 ASN 11 HB2 ASN 11 -2.040 -10.671 2.537
61 HB3 ASN 11 HB3 ASN 11 -3.570 -9.839 2.913
62 HD21 ASN 11 HD21 ASN 11 -5.460 -11.119 1.123
63 HD22 ASN 11 HD22 ASN 11 -5.459 -12.804 1.469
64 H THR 12 H THR 12 -0.355 -9.902 0.524
65 HA THR 12 HA THR 12 0.236 -7.388 1.700
66 HB THR 12 HB THR 12 2.449 -7.520 0.483
67 HG1 THR 12 HG1 THR 12 2.731 -9.448 -0.866
68 HG21 THR 12 HG21 THR 12 3.285 -9.578 1.617
69 HG22 THR 12 HG22 THR 12 1.617 -10.157 1.872
70 HG23 THR 12 HG23 THR 12 2.185 -8.672 2.694
71 H ILE 13 H ILE 13 -0.414 -8.284 -1.799
72 HA ILE 13 HA ILE 13 0.353 -5.755 -2.786
73 HB ILE 13 HB ILE 13 -1.089 -6.037 -4.734
74 HG12 ILE 13 HG12 ILE 13 -2.234 -8.471 -3.272
75 HG13 ILE 13 HG13 ILE 13 -3.127 -6.980 -3.670
76 HG21 ILE 13 HG21 ILE 13 1.145 -7.265 -4.524
77 HG22 ILE 13 HG22 ILE 13 0.250 -8.743 -4.069
78 HG23 ILE 13 HG23 ILE 13 0.020 -8.008 -5.677
79 HD11 ILE 13 HD11 ILE 13 -2.117 -9.095 -5.664
80 HD12 ILE 13 HD12 ILE 13 -3.795 -8.687 -5.235
81 HD13 ILE 13 HD13 ILE 13 -2.799 -7.500 -6.133
82 H LEU 14 H LEU 14 -2.793 -6.686 -1.176
83 HA LEU 14 HA LEU 14 -3.869 -4.018 -1.756
84 HB2 LEU 14 HB2 LEU 14 -4.896 -6.402 -0.202
85 HB3 LEU 14 HB3 LEU 14 -5.287 -4.820 0.488
86 HG LEU 14 HG LEU 14 -6.312 -4.061 -1.637
87 HD11 LEU 14 HD11 LEU 14 -6.781 -5.710 -3.483
88 HD12 LEU 14 HD12 LEU 14 -5.753 -6.922 -2.662
89 HD13 LEU 14 HD13 LEU 14 -5.036 -5.418 -3.314
90 HD21 LEU 14 HD21 LEU 14 -7.727 -5.162 0.119
91 HD22 LEU 14 HD22 LEU 14 -7.446 -6.751 -0.654
92 HD23 LEU 14 HD23 LEU 14 -8.355 -5.479 -1.520
93 H ASP 15 H ASP 15 -2.560 -5.591 1.293
94 HA ASP 15 HA ASP 15 -2.850 -3.264 2.806
95 HB2 ASP 15 HB2 ASP 15 -2.207 -5.533 3.709
96 HB3 ASP 15 HB3 ASP 15 -0.538 -5.275 3.139
97 H ASN 16 H ASN 16 0.096 -4.317 0.938
98 HA ASN 16 HA ASN 16 1.428 -1.795 1.653
99 HB2 ASN 16 HB2 ASN 16 2.490 -4.119 1.658
100 HB3 ASN 16 HB3 ASN 16 2.477 -4.061 -0.128
101 HD21 ASN 16 HD21 ASN 16 4.918 -4.426 1.174
102 HD22 ASN 16 HD22 ASN 16 5.843 -2.971 1.091
103 H LEU 17 H LEU 17 -0.466 -2.983 -1.200
104 HA LEU 17 HA LEU 17 0.577 -0.563 -2.633
105 HB2 LEU 17 HB2 LEU 17 1.046 -3.207 -3.388
106 HB3 LEU 17 HB3 LEU 17 -0.388 -2.828 -4.352
107 HG LEU 17 HG LEU 17 2.313 -1.348 -4.338
108 HD11 LEU 17 HD11 LEU 17 2.516 -2.198 -6.668
109 HD12 LEU 17 HD12 LEU 17 0.894 -2.940 -6.564
110 HD13 LEU 17 HD13 LEU 17 2.235 -3.565 -5.558
111 HD21 LEU 17 HD21 LEU 17 0.624 0.413 -4.751
112 HD22 LEU 17 HD22 LEU 17 -0.258 -0.632 -5.902
113 HD23 LEU 17 HD23 LEU 17 1.364 0.000 -6.305
114 H ALA 18 H ALA 18 -1.528 -0.389 -0.825
115 HA ALA 18 HA ALA 18 -3.391 0.764 -2.794
116 HB1 ALA 18 HB1 ALA 18 -4.414 -1.510 -2.355
117 HB2 ALA 18 HB2 ALA 18 -4.594 -1.076 -0.630
118 HB3 ALA 18 HB3 ALA 18 -5.449 -0.132 -1.872
119 H ALA 19 H ALA 19 -3.118 0.151 0.858
120 HA ALA 19 HA ALA 19 -3.959 2.920 1.292
121 HB1 ALA 19 HB1 ALA 19 -3.631 2.425 3.691
122 HB2 ALA 19 HB2 ALA 19 -4.542 1.100 2.910
123 HB3 ALA 19 HB3 ALA 19 -2.804 0.889 3.287
124 H ARG 20 H ARG 20 -0.948 1.770 0.112
125 HA ARG 20 HA ARG 20 0.419 4.047 1.471
126 HB2 ARG 20 HB2 ARG 20 1.412 1.479 0.199
127 HB3 ARG 20 HB3 ARG 20 2.492 2.881 0.222
128 HG2 ARG 20 HG2 ARG 20 1.095 1.979 2.781
129 HG3 ARG 20 HG3 ARG 20 2.613 1.203 2.272
130 HD2 ARG 20 HD2 ARG 20 3.918 3.189 2.486
131 HD3 ARG 20 HD3 ARG 20 2.482 4.242 2.404
132 HE ARG 20 HE ARG 20 2.321 2.616 4.765
133 HH11 ARG 20 HH12 ARG 20 4.116 5.439 3.403
134 HH12 ARG 20 HH11 ARG 20 4.276 6.182 4.987
135 HH21 ARG 20 HH22 ARG 20 2.604 3.651 6.742
136 HH22 ARG 20 HH21 ARG 20 3.463 5.189 6.840
137 H ASP 21 H ASP 21 -0.875 3.072 -1.763
138 HA ASP 21 HA ASP 21 0.548 5.487 -2.865
139 HB2 ASP 21 HB2 ASP 21 0.205 4.458 -5.062
140 HB3 ASP 21 HB3 ASP 21 1.116 3.357 -3.995
141 H PHE 22 H PHE 22 -1.404 6.230 -1.236
142 HA PHE 22 HA PHE 22 -3.475 7.161 -3.138
143 HB2 PHE 22 HB2 PHE 22 -4.062 4.922 -1.594
144 HB3 PHE 22 HB3 PHE 22 -4.756 6.217 -0.604
145 HD1 PHE 22 HD1 PHE 22 -5.990 8.141 -2.139
146 HD2 PHE 22 HD2 PHE 22 -5.560 3.989 -3.209
147 HE1 PHE 22 HE1 PHE 22 -7.930 8.327 -3.669
148 HE2 PHE 22 HE2 PHE 22 -7.501 4.180 -4.722
149 HZ PHE 22 HZ PHE 22 -8.691 6.348 -4.963
150 H ILE 23 H ILE 23 -2.798 7.167 0.472
151 HA ILE 23 HA ILE 23 -2.309 10.089 0.217
152 HB ILE 23 HB ILE 23 -3.740 10.398 2.348
153 HG12 ILE 23 HG12 ILE 23 -5.696 8.834 2.627
154 HG13 ILE 23 HG13 ILE 23 -4.893 7.646 1.592
155 HG21 ILE 23 HG21 ILE 23 -5.284 9.546 -0.165
156 HG22 ILE 23 HG22 ILE 23 -5.824 10.698 1.080
157 HG23 ILE 23 HG23 ILE 23 -4.477 11.127 0.006
158 HD11 ILE 23 HD11 ILE 23 -4.586 7.151 4.034
159 HD12 ILE 23 HD12 ILE 23 -3.011 7.538 3.311
160 HD13 ILE 23 HD13 ILE 23 -3.849 8.756 4.304
161 H ASN 24 H ASN 24 -0.225 8.347 0.214
162 HA ASN 24 HA ASN 24 1.055 9.327 2.696
163 HB2 ASN 24 HB2 ASN 24 1.449 6.369 2.053
164 HB3 ASN 24 HB3 ASN 24 1.722 7.215 3.588
165 HD21 ASN 24 HD21 ASN 24 -0.781 6.083 1.211
166 HD22 ASN 24 HD22 ASN 24 -1.960 5.681 2.390
167 H TRP 25 H TRP 25 1.517 10.334 0.223
168 HA TRP 25 HA TRP 25 4.160 9.820 -0.526
169 HB2 TRP 25 HB2 TRP 25 4.214 7.787 -1.555
170 HB3 TRP 25 HB3 TRP 25 2.470 7.562 -1.319
171 HD1 TRP 25 HD1 TRP 25 4.961 8.444 -4.043
172 HE1 TRP 25 HE1 TRP 25 3.746 8.441 -6.248
173 HE3 TRP 25 HE3 TRP 25 0.060 8.047 -2.344
174 HZ2 TRP 25 HZ2 TRP 25 1.176 8.314 -7.229
175 HZ3 TRP 25 HZ3 TRP 25 -1.744 8.338 -4.060
176 HH2 TRP 25 HH2 TRP 25 -1.208 8.304 -6.460
177 H LEU 26 H LEU 26 0.838 10.304 -1.999
178 HA LEU 26 HA LEU 26 1.980 12.553 -3.587
179 HB2 LEU 26 HB2 LEU 26 0.477 10.668 -4.571
180 HB3 LEU 26 HB3 LEU 26 -0.842 11.375 -3.620
181 HG LEU 26 HG LEU 26 -0.191 13.609 -4.980
182 HD11 LEU 26 HD11 LEU 26 1.054 11.461 -6.819
183 HD12 LEU 26 HD12 LEU 26 1.991 12.700 -5.942
184 HD13 LEU 26 HD13 LEU 26 0.834 13.191 -7.201
185 HD21 LEU 26 HD21 LEU 26 -1.507 11.198 -6.371
186 HD22 LEU 26 HD22 LEU 26 -1.659 12.902 -6.889
187 HD23 LEU 26 HD23 LEU 26 -2.327 12.388 -5.319
188 H ILE 27 H ILE 27 0.027 11.960 -0.548
189 HA ILE 27 HA ILE 27 -0.716 14.833 -0.692
190 HB ILE 27 HB ILE 27 -2.399 12.686 -0.532
191 HG12 ILE 27 HG12 ILE 27 -3.067 14.957 -1.170
192 HG13 ILE 27 HG13 ILE 27 -4.202 14.232 -0.019
193 HG21 ILE 27 HG21 ILE 27 -3.419 12.700 1.764
194 HG22 ILE 27 HG22 ILE 27 -1.769 12.016 1.751
195 HG23 ILE 27 HG23 ILE 27 -2.058 13.675 2.350
196 HD11 ILE 27 HD11 ILE 27 -2.055 16.324 0.750
197 HD12 ILE 27 HD12 ILE 27 -3.785 16.643 0.489
198 HD13 ILE 27 HD13 ILE 27 -3.276 15.627 1.854
199 H GLN 28 H GLN 28 0.638 12.308 1.740
200 HA GLN 28 HA GLN 28 1.426 14.740 3.334
201 HB2 GLN 28 HB2 GLN 28 1.211 11.852 4.355
202 HB3 GLN 28 HB3 GLN 28 1.605 13.337 5.263
203 HG2 GLN 28 HG2 GLN 28 -0.794 14.172 4.452
204 HG3 GLN 28 HG3 GLN 28 -1.089 12.437 4.141
205 HE21 GLN 28 HE21 GLN 28 -0.305 14.860 6.732
206 HE22 GLN 28 HE22 GLN 28 -0.789 13.830 8.026
207 H THR 29 H THR 29 3.047 14.319 1.083
208 HA THR 29 HA THR 29 5.528 13.701 2.568
209 HB THR 29 HB THR 29 4.635 12.098 0.134
210 HG1 THR 29 HG1 THR 29 4.946 10.357 1.757
211 HG21 THR 29 HG21 THR 29 7.097 12.701 -0.102
212 HG22 THR 29 HG22 THR 29 6.903 10.973 0.277
213 HG23 THR 29 HG23 THR 29 7.379 12.117 1.564
214 H LYS 30 H LYS 30 4.616 14.187 -0.998
215 HA LYS 30 HA LYS 30 6.859 16.136 -1.061
216 HB2 LYS 30 HB2 LYS 30 5.043 15.208 -3.353
217 HB3 LYS 30 HB3 LYS 30 6.548 16.161 -3.463
218 HG2 LYS 30 HG2 LYS 30 7.767 14.149 -2.360
219 HG3 LYS 30 HG3 LYS 30 6.259 13.224 -2.582
220 HD2 LYS 30 HD2 LYS 30 6.413 13.780 -5.108
221 HD3 LYS 30 HD3 LYS 30 7.982 14.554 -4.762
222 HE2 LYS 30 HE2 LYS 30 8.567 12.385 -5.556
223 HE3 LYS 30 HE3 LYS 30 8.757 12.263 -3.790
224 HZ1 LYS 30 HZ1 LYS 30 7.619 10.301 -4.745
225 HZ2 LYS 30 HZ2 LYS 30 6.382 11.295 -5.434
226 HZ3 LYS 30 HZ3 LYS 30 6.512 11.129 -3.703
227 H ILE 31 H ILE 31 3.574 16.393 -0.106
228 HA ILE 31 HA ILE 31 3.211 18.983 -1.548
229 HB ILE 31 HB ILE 31 1.199 17.516 0.218
230 HG12 ILE 31 HG12 ILE 31 1.672 15.922 -1.482
231 HG13 ILE 31 HG13 ILE 31 0.139 16.728 -1.914
232 HG21 ILE 31 HG21 ILE 31 0.749 19.919 -0.107
233 HG22 ILE 31 HG22 ILE 31 0.820 19.729 -1.880
234 HG23 ILE 31 HG23 ILE 31 -0.467 18.919 -0.941
235 HD11 ILE 31 HD11 ILE 31 2.887 17.217 -3.237
236 HD12 ILE 31 HD12 ILE 31 1.483 16.386 -3.944
237 HD13 ILE 31 HD13 ILE 31 1.401 18.137 -3.625
238 H THR 32 H THR 32 2.933 17.569 1.868
239 HA THR 32 HA THR 32 2.724 20.078 3.100
240 HB THR 32 HB THR 32 4.175 17.580 4.178
241 HG1 THR 32 HG1 THR 32 1.965 17.075 4.901
242 HG21 THR 32 HG21 THR 32 2.744 19.906 5.641
243 HG22 THR 32 HG22 THR 32 4.516 19.648 5.608
244 HG23 THR 32 HG23 THR 32 3.457 18.468 6.428
245 H ASP 33 H ASP 33 5.666 18.137 2.094
246 HA ASP 33 HA ASP 33 7.449 20.352 2.941
247 HB2 ASP 33 HB2 ASP 33 8.060 17.785 1.363
248 HB3 ASP 33 HB3 ASP 33 9.248 18.949 2.010
Start of MODEL 8
1 H1 HIS 1 H1 HIS 1 7.853 -16.023 -6.359
2 HA HIS 1 HA HIS 1 8.040 -18.505 -6.214
3 HB2 HIS 1 HB2 HIS 1 8.595 -19.455 -3.942
4 HB3 HIS 1 HB3 HIS 1 9.921 -18.440 -4.561
5 HD1 HIS 1 HD1 HIS 1 10.035 -15.983 -3.576
6 HD2 HIS 1 HD2 HIS 1 7.427 -18.652 -1.635
7 HE1 HIS 1 HE1 HIS 1 9.529 -14.931 -1.337
8 H ALA 2 H ALA 2 6.393 -19.917 -4.904
9 HA ALA 2 HA ALA 2 4.242 -18.308 -3.623
10 HB1 ALA 2 HB1 ALA 2 2.520 -19.209 -5.206
11 HB2 ALA 2 HB2 ALA 2 3.706 -18.163 -6.041
12 HB3 ALA 2 HB3 ALA 2 3.806 -19.934 -6.214
13 H ASP 3 H ASP 3 4.900 -21.707 -4.971
14 HA ASP 3 HA ASP 3 4.717 -23.714 -3.879
15 HB2 ASP 3 HB2 ASP 3 6.238 -22.175 -2.250
16 HB3 ASP 3 HB3 ASP 3 4.869 -22.365 -1.140
17 H GLY 4 H GLY 4 2.334 -22.504 -4.799
18 HA2 GLY 4 HA2 GLY 4 0.046 -22.803 -4.543
19 HA3 GLY 4 HA3 GLY 4 0.454 -24.065 -3.362
20 H SER 5 H SER 5 1.242 -20.466 -3.162
21 HA SER 5 HA SER 5 -1.066 -20.107 -1.332
22 HB2 SER 5 HB2 SER 5 0.317 -19.230 0.495
23 HB3 SER 5 HB3 SER 5 0.814 -20.918 0.144
24 HG SER 5 HG SER 5 2.698 -19.437 0.265
25 H PHE 6 H PHE 6 -1.019 -19.169 -3.862
26 HA PHE 6 HA PHE 6 0.226 -16.645 -4.167
27 HB2 PHE 6 HB2 PHE 6 -1.428 -16.127 -5.893
28 HB3 PHE 6 HB3 PHE 6 -0.947 -17.827 -6.059
29 HD1 PHE 6 HD1 PHE 6 -3.647 -15.503 -4.926
30 HD2 PHE 6 HD2 PHE 6 -2.634 -19.618 -5.692
31 HE1 PHE 6 HE1 PHE 6 -6.007 -16.150 -4.584
32 HE2 PHE 6 HE2 PHE 6 -4.994 -20.258 -5.350
33 HZ PHE 6 HZ PHE 6 -6.687 -18.532 -4.785
34 H SER 7 H SER 7 -2.846 -17.626 -2.457
35 HA SER 7 HA SER 7 -4.029 -15.165 -2.154
36 HB2 SER 7 HB2 SER 7 -5.030 -17.212 -1.199
37 HB3 SER 7 HB3 SER 7 -3.721 -17.317 0.022
38 HG SER 7 HG SER 7 -5.638 -16.165 0.872
39 H ASP 8 H ASP 8 -1.294 -16.505 -0.094
40 HA ASP 8 HA ASP 8 -1.189 -14.428 1.750
41 HB2 ASP 8 HB2 ASP 8 0.309 -16.400 1.928
42 HB3 ASP 8 HB3 ASP 8 1.186 -15.906 0.456
43 H GLU 9 H GLU 9 0.413 -14.562 -1.543
44 HA GLU 9 HA GLU 9 1.554 -11.929 -1.192
45 HB2 GLU 9 HB2 GLU 9 1.056 -13.481 -3.795
46 HB3 GLU 9 HB3 GLU 9 2.020 -11.988 -3.628
47 HG2 GLU 9 HG2 GLU 9 3.537 -13.197 -1.962
48 HG3 GLU 9 HG3 GLU 9 2.675 -14.716 -2.315
49 H MET 10 H MET 10 -1.514 -13.186 -2.699
50 HA MET 10 HA MET 10 -2.320 -10.751 -3.847
51 HB2 MET 10 HB2 MET 10 -3.507 -13.093 -4.012
52 HB3 MET 10 HB3 MET 10 -4.278 -12.666 -2.459
53 HG2 MET 10 HG2 MET 10 -5.124 -10.503 -3.667
54 HG3 MET 10 HG3 MET 10 -4.521 -11.221 -5.183
55 HE1 MET 10 HE1 MET 10 -8.625 -11.784 -3.612
56 HE2 MET 10 HE2 MET 10 -7.362 -11.045 -2.578
57 HE3 MET 10 HE3 MET 10 -7.676 -10.388 -4.222
58 H ASN 11 H ASN 11 -2.305 -11.785 -0.366
59 HA ASN 11 HA ASN 11 -4.095 -9.572 0.375
60 HB2 ASN 11 HB2 ASN 11 -2.324 -11.203 2.249
61 HB3 ASN 11 HB3 ASN 11 -3.844 -10.358 2.639
62 HD21 ASN 11 HD21 ASN 11 -5.640 -11.339 0.559
63 HD22 ASN 11 HD22 ASN 11 -5.729 -13.049 0.715
64 H THR 12 H THR 12 -0.479 -10.246 0.488
65 HA THR 12 HA THR 12 0.038 -7.912 2.039
66 HB THR 12 HB THR 12 2.387 -8.030 1.103
67 HG1 THR 12 HG1 THR 12 2.776 -9.831 -0.378
68 HG21 THR 12 HG21 THR 12 1.776 -9.375 3.135
69 HG22 THR 12 HG22 THR 12 2.972 -10.246 2.137
70 HG23 THR 12 HG23 THR 12 1.261 -10.742 2.107
71 H ILE 13 H ILE 13 -0.078 -8.399 -1.608
72 HA ILE 13 HA ILE 13 0.813 -5.791 -2.180
73 HB ILE 13 HB ILE 13 -0.384 -5.818 -4.329
74 HG12 ILE 13 HG12 ILE 13 -1.603 -8.209 -4.840
75 HG13 ILE 13 HG13 ILE 13 -1.912 -8.131 -3.100
76 HG21 ILE 13 HG21 ILE 13 1.800 -7.026 -4.085
77 HG22 ILE 13 HG22 ILE 13 0.916 -8.544 -3.760
78 HG23 ILE 13 HG23 ILE 13 0.763 -7.742 -5.341
79 HD11 ILE 13 HD11 ILE 13 -2.760 -6.106 -5.266
80 HD12 ILE 13 HD12 ILE 13 -3.823 -7.240 -4.383
81 HD13 ILE 13 HD13 ILE 13 -3.098 -5.852 -3.538
82 H LEU 14 H LEU 14 -2.428 -6.814 -0.942
83 HA LEU 14 HA LEU 14 -3.501 -4.174 -1.597
84 HB2 LEU 14 HB2 LEU 14 -4.753 -6.469 -1.465
85 HB3 LEU 14 HB3 LEU 14 -4.857 -6.171 0.285
86 HG LEU 14 HG LEU 14 -5.874 -4.309 -1.974
87 HD11 LEU 14 HD11 LEU 14 -7.163 -6.459 -1.908
88 HD12 LEU 14 HD12 LEU 14 -8.163 -5.090 -1.361
89 HD13 LEU 14 HD13 LEU 14 -7.467 -6.220 -0.163
90 HD21 LEU 14 HD21 LEU 14 -5.393 -3.021 0.139
91 HD22 LEU 14 HD22 LEU 14 -6.381 -4.173 1.079
92 HD23 LEU 14 HD23 LEU 14 -7.142 -3.116 -0.148
93 H ASP 15 H ASP 15 -2.733 -5.972 1.548
94 HA ASP 15 HA ASP 15 -3.183 -3.759 3.199
95 HB2 ASP 15 HB2 ASP 15 -2.728 -6.047 4.092
96 HB3 ASP 15 HB3 ASP 15 -1.040 -5.955 3.531
97 H ASN 16 H ASN 16 -0.065 -4.722 1.584
98 HA ASN 16 HA ASN 16 1.301 -2.460 2.821
99 HB2 ASN 16 HB2 ASN 16 2.310 -4.737 2.417
100 HB3 ASN 16 HB3 ASN 16 2.349 -4.385 0.667
101 HD21 ASN 16 HD21 ASN 16 4.732 -4.990 2.215
102 HD22 ASN 16 HD22 ASN 16 5.687 -3.556 2.247
103 H LEU 17 H LEU 17 0.125 -3.318 -0.561
104 HA LEU 17 HA LEU 17 1.244 -0.685 -1.444
105 HB2 LEU 17 HB2 LEU 17 1.706 -3.224 -2.425
106 HB3 LEU 17 HB3 LEU 17 0.404 -2.727 -3.511
107 HG LEU 17 HG LEU 17 3.059 -1.252 -2.998
108 HD11 LEU 17 HD11 LEU 17 3.654 -1.969 -5.308
109 HD12 LEU 17 HD12 LEU 17 2.086 -2.815 -5.473
110 HD13 LEU 17 HD13 LEU 17 3.298 -3.393 -4.296
111 HD21 LEU 17 HD21 LEU 17 0.830 -0.563 -5.025
112 HD22 LEU 17 HD22 LEU 17 2.424 0.233 -4.919
113 HD23 LEU 17 HD23 LEU 17 1.252 0.418 -3.597
114 H ALA 18 H ALA 18 -0.885 -0.166 -0.004
115 HA ALA 18 HA ALA 18 -2.620 0.994 -1.986
116 HB1 ALA 18 HB1 ALA 18 -4.773 -0.015 -1.475
117 HB2 ALA 18 HB2 ALA 18 -3.670 -1.365 -1.885
118 HB3 ALA 18 HB3 ALA 18 -4.080 -1.015 -0.179
119 H ALA 19 H ALA 19 -2.647 -0.072 1.557
120 HA ALA 19 HA ALA 19 -3.975 2.169 2.553
121 HB1 ALA 19 HB1 ALA 19 -1.525 0.745 3.806
122 HB2 ALA 19 HB2 ALA 19 -2.637 1.855 4.668
123 HB3 ALA 19 HB3 ALA 19 -3.241 0.287 4.042
124 H ARG 20 H ARG 20 -0.402 1.772 1.753
125 HA ARG 20 HA ARG 20 -0.123 4.711 2.066
126 HB2 ARG 20 HB2 ARG 20 2.003 2.577 1.668
127 HB3 ARG 20 HB3 ARG 20 2.290 4.327 1.796
128 HG2 ARG 20 HG2 ARG 20 0.619 3.457 4.095
129 HG3 ARG 20 HG3 ARG 20 2.056 2.417 3.973
130 HD2 ARG 20 HD2 ARG 20 3.515 4.446 3.919
131 HD3 ARG 20 HD3 ARG 20 2.050 5.484 4.103
132 HE ARG 20 HE ARG 20 2.086 3.570 6.230
133 HH11 ARG 20 HH12 ARG 20 3.984 6.423 5.103
134 HH12 ARG 20 HH11 ARG 20 4.528 6.792 6.734
135 HH21 ARG 20 HH22 ARG 20 2.838 4.125 8.274
136 HH22 ARG 20 HH21 ARG 20 3.893 5.524 8.498
137 H ASP 21 H ASP 21 -1.820 3.892 -0.190
138 HA ASP 21 HA ASP 21 -0.134 5.165 -2.223
139 HB2 ASP 21 HB2 ASP 21 -0.236 2.359 -2.184
140 HB3 ASP 21 HB3 ASP 21 -1.515 2.734 -3.347
141 H PHE 22 H PHE 22 -2.738 5.918 -0.726
142 HA PHE 22 HA PHE 22 -4.168 6.671 -3.261
143 HB2 PHE 22 HB2 PHE 22 -5.148 5.769 -0.552
144 HB3 PHE 22 HB3 PHE 22 -5.959 7.197 -1.189
145 HD1 PHE 22 HD1 PHE 22 -7.008 7.222 -3.457
146 HD2 PHE 22 HD2 PHE 22 -5.551 3.578 -1.687
147 HE1 PHE 22 HE1 PHE 22 -8.443 5.910 -4.986
148 HE2 PHE 22 HE2 PHE 22 -6.997 2.267 -3.214
149 HZ PHE 22 HZ PHE 22 -8.451 3.428 -4.858
150 H ILE 23 H ILE 23 -1.863 7.985 -1.166
151 HA ILE 23 HA ILE 23 -2.661 10.602 -1.948
152 HB ILE 23 HB ILE 23 -2.273 10.977 0.947
153 HG12 ILE 23 HG12 ILE 23 -4.522 10.229 1.745
154 HG13 ILE 23 HG13 ILE 23 -4.749 9.281 0.273
155 HG21 ILE 23 HG21 ILE 23 -3.114 12.673 -0.632
156 HG22 ILE 23 HG22 ILE 23 -4.615 11.714 -0.848
157 HG23 ILE 23 HG23 ILE 23 -4.220 12.423 0.742
158 HD11 ILE 23 HD11 ILE 23 -2.760 7.824 1.006
159 HD12 ILE 23 HD12 ILE 23 -2.538 8.879 2.425
160 HD13 ILE 23 HD13 ILE 23 -4.017 7.897 2.252
161 H ASN 24 H ASN 24 -0.578 9.397 0.794
162 HA ASN 24 HA ASN 24 1.668 10.656 0.441
163 HB2 ASN 24 HB2 ASN 24 2.844 8.064 0.520
164 HB3 ASN 24 HB3 ASN 24 2.303 9.048 1.872
165 HD21 ASN 24 HD21 ASN 24 0.194 7.192 -0.544
166 HD22 ASN 24 HD22 ASN 24 -0.666 6.427 0.705
167 H TRP 25 H TRP 25 2.033 7.633 -1.662
168 HA TRP 25 HA TRP 25 3.793 8.672 -3.349
169 HB2 TRP 25 HB2 TRP 25 3.438 6.650 -4.361
170 HB3 TRP 25 HB3 TRP 25 1.857 6.449 -3.593
171 HD1 TRP 25 HD1 TRP 25 3.331 7.098 -6.948
172 HE1 TRP 25 HE1 TRP 25 1.473 7.386 -8.634
173 HE3 TRP 25 HE3 TRP 25 -0.715 7.471 -3.718
174 HZ2 TRP 25 HZ2 TRP 25 -1.232 7.754 -8.712
175 HZ3 TRP 25 HZ3 TRP 25 -2.933 8.024 -4.752
176 HH2 TRP 25 HH2 TRP 25 -3.210 8.056 -7.203
177 H LEU 26 H LEU 26 0.327 9.650 -3.481
178 HA LEU 26 HA LEU 26 0.732 11.109 -5.980
179 HB2 LEU 26 HB2 LEU 26 -1.404 10.350 -5.852
180 HB3 LEU 26 HB3 LEU 26 -1.662 10.667 -4.146
181 HG LEU 26 HG LEU 26 -1.429 13.016 -6.079
182 HD11 LEU 26 HD11 LEU 26 -3.950 13.016 -6.147
183 HD12 LEU 26 HD12 LEU 26 -3.961 11.453 -5.284
184 HD13 LEU 26 HD13 LEU 26 -3.264 11.569 -6.925
185 HD21 LEU 26 HD21 LEU 26 -2.880 12.730 -3.360
186 HD22 LEU 26 HD22 LEU 26 -2.709 14.228 -4.306
187 HD23 LEU 26 HD23 LEU 26 -1.299 13.511 -3.519
188 H ILE 27 H ILE 27 1.026 11.992 -2.499
189 HA ILE 27 HA ILE 27 1.593 14.770 -3.465
190 HB ILE 27 HB ILE 27 -0.144 15.113 -1.987
191 HG12 ILE 27 HG12 ILE 27 2.457 15.544 -0.381
192 HG13 ILE 27 HG13 ILE 27 1.849 16.560 -1.723
193 HG21 ILE 27 HG21 ILE 27 -0.346 12.927 -0.851
194 HG22 ILE 27 HG22 ILE 27 1.082 13.307 0.164
195 HG23 ILE 27 HG23 ILE 27 -0.424 14.244 0.296
196 HD11 ILE 27 HD11 ILE 27 0.560 16.220 1.059
197 HD12 ILE 27 HD12 ILE 27 1.298 17.681 0.367
198 HD13 ILE 27 HD13 ILE 27 -0.232 17.060 -0.314
199 H GLN 28 H GLN 28 2.856 12.340 -1.020
200 HA GLN 28 HA GLN 28 5.008 13.966 -0.432
201 HB2 GLN 28 HB2 GLN 28 4.229 11.592 0.715
202 HB3 GLN 28 HB3 GLN 28 5.491 10.948 -0.348
203 HG2 GLN 28 HG2 GLN 28 5.659 13.040 1.901
204 HG3 GLN 28 HG3 GLN 28 6.431 11.444 1.850
205 HE21 GLN 28 HE21 GLN 28 6.943 14.862 1.139
206 HE22 GLN 28 HE22 GLN 28 8.425 14.647 0.288
207 H THR 29 H THR 29 4.808 11.158 -2.806
208 HA THR 29 HA THR 29 7.445 12.070 -3.956
209 HB THR 29 HB THR 29 6.073 9.350 -4.112
210 HG1 THR 29 HG1 THR 29 7.595 8.843 -2.328
211 HG21 THR 29 HG21 THR 29 9.017 10.203 -4.588
212 HG22 THR 29 HG22 THR 29 7.876 9.810 -5.900
213 HG23 THR 29 HG23 THR 29 8.380 8.544 -4.755
214 H LYS 30 H LYS 30 5.799 13.766 -4.893
215 HA LYS 30 HA LYS 30 5.485 13.208 -7.669
216 HB2 LYS 30 HB2 LYS 30 3.203 12.493 -5.902
217 HB3 LYS 30 HB3 LYS 30 2.690 13.620 -7.154
218 HG2 LYS 30 HG2 LYS 30 4.236 11.151 -8.098
219 HG3 LYS 30 HG3 LYS 30 2.535 10.993 -7.611
220 HD2 LYS 30 HD2 LYS 30 1.838 12.699 -9.227
221 HD3 LYS 30 HD3 LYS 30 3.532 12.968 -9.732
222 HE2 LYS 30 HE2 LYS 30 3.690 10.627 -10.566
223 HE3 LYS 30 HE3 LYS 30 2.072 10.242 -9.928
224 HZ1 LYS 30 HZ1 LYS 30 1.052 11.839 -11.484
225 HZ2 LYS 30 HZ2 LYS 30 2.006 10.682 -12.350
226 HZ3 LYS 30 HZ3 LYS 30 2.613 12.302 -12.092
227 H ILE 31 H ILE 31 3.637 15.014 -5.079
228 HA ILE 31 HA ILE 31 3.947 17.479 -6.723
229 HB ILE 31 HB ILE 31 2.363 16.957 -4.163
230 HG12 ILE 31 HG12 ILE 31 1.375 17.394 -7.046
231 HG13 ILE 31 HG13 ILE 31 1.578 15.796 -6.301
232 HG21 ILE 31 HG21 ILE 31 2.460 19.465 -5.942
233 HG22 ILE 31 HG22 ILE 31 1.400 19.229 -4.520
234 HG23 ILE 31 HG23 ILE 31 3.154 19.337 -4.300
235 HD11 ILE 31 HD11 ILE 31 -0.778 16.403 -6.129
236 HD12 ILE 31 HD12 ILE 31 -0.090 16.412 -4.486
237 HD13 ILE 31 HD13 ILE 31 -0.403 17.950 -5.338
238 H THR 32 H THR 32 4.533 16.443 -3.210
239 HA THR 32 HA THR 32 6.025 18.832 -2.700
240 HB THR 32 HB THR 32 5.936 16.168 -1.194
241 HG1 THR 32 HG1 THR 32 3.997 17.609 -1.128
242 HG21 THR 32 HG21 THR 32 6.964 17.464 0.724
243 HG22 THR 32 HG22 THR 32 7.273 18.811 -0.409
244 HG23 THR 32 HG23 THR 32 8.098 17.233 -0.634
245 H ASP 33 H ASP 33 7.010 15.391 -3.599
246 HA ASP 33 HA ASP 33 9.650 16.535 -4.445
247 HB2 ASP 33 HB2 ASP 33 9.617 15.501 -2.029
248 HB3 ASP 33 HB3 ASP 33 9.310 13.934 -2.817
Start of MODEL 9
1 H1 HIS 1 H1 HIS 1 -7.427 -25.355 -2.885
2 HA HIS 1 HA HIS 1 -7.089 -23.846 -0.934
3 HB2 HIS 1 HB2 HIS 1 -6.968 -25.023 1.340
4 HB3 HIS 1 HB3 HIS 1 -8.573 -25.078 0.567
5 HD1 HIS 1 HD1 HIS 1 -5.527 -27.274 1.054
6 HD2 HIS 1 HD2 HIS 1 -9.601 -27.496 0.047
7 HE1 HIS 1 HE1 HIS 1 -6.081 -29.742 0.994
8 H ALA 2 H ALA 2 -4.941 -23.759 0.348
9 HA ALA 2 HA ALA 2 -2.635 -23.879 0.148
10 HB1 ALA 2 HB1 ALA 2 -3.233 -26.891 -0.027
11 HB2 ALA 2 HB2 ALA 2 -1.698 -26.132 0.479
12 HB3 ALA 2 HB3 ALA 2 -3.165 -25.934 1.481
13 H ASP 3 H ASP 3 -3.607 -22.975 -2.251
14 HA ASP 3 HA ASP 3 -2.748 -24.606 -4.463
15 HB2 ASP 3 HB2 ASP 3 -2.977 -21.544 -4.227
16 HB3 ASP 3 HB3 ASP 3 -2.473 -22.403 -5.707
17 H GLY 4 H GLY 4 -1.075 -21.871 -2.639
18 HA2 GLY 4 HA2 GLY 4 1.347 -23.244 -2.331
19 HA3 GLY 4 HA3 GLY 4 1.460 -22.449 -3.925
20 H SER 5 H SER 5 0.455 -21.634 -0.499
21 HA SER 5 HA SER 5 0.634 -19.598 0.625
22 HB2 SER 5 HB2 SER 5 3.387 -19.636 -0.763
23 HB3 SER 5 HB3 SER 5 2.949 -18.718 0.703
24 HG SER 5 HG SER 5 2.955 -21.586 0.547
25 H PHE 6 H PHE 6 -0.866 -19.366 -1.810
26 HA PHE 6 HA PHE 6 0.305 -17.083 -3.254
27 HB2 PHE 6 HB2 PHE 6 -1.087 -19.099 -4.240
28 HB3 PHE 6 HB3 PHE 6 -2.509 -18.146 -3.768
29 HD1 PHE 6 HD1 PHE 6 -2.353 -15.542 -4.480
30 HD2 PHE 6 HD2 PHE 6 -0.199 -18.724 -6.411
31 HE1 PHE 6 HE1 PHE 6 -1.920 -14.069 -6.423
32 HE2 PHE 6 HE2 PHE 6 0.144 -17.290 -8.388
33 HZ PHE 6 HZ PHE 6 -0.677 -14.946 -8.391
34 H SER 7 H SER 7 -2.664 -17.806 -1.210
35 HA SER 7 HA SER 7 -3.856 -15.358 -1.262
36 HB2 SER 7 HB2 SER 7 -4.784 -17.263 0.067
37 HB3 SER 7 HB3 SER 7 -3.448 -17.102 1.244
38 HG SER 7 HG SER 7 -5.408 -15.880 1.918
39 H ASP 8 H ASP 8 -1.035 -16.246 0.907
40 HA ASP 8 HA ASP 8 -1.023 -13.898 2.409
41 HB2 ASP 8 HB2 ASP 8 0.558 -15.723 2.925
42 HB3 ASP 8 HB3 ASP 8 1.405 -15.480 1.377
43 H GLU 9 H GLU 9 0.670 -14.454 -0.806
44 HA GLU 9 HA GLU 9 1.609 -11.751 -0.930
45 HB2 GLU 9 HB2 GLU 9 1.116 -13.822 -3.149
46 HB3 GLU 9 HB3 GLU 9 1.646 -12.156 -3.491
47 HG2 GLU 9 HG2 GLU 9 3.597 -13.678 -3.402
48 HG3 GLU 9 HG3 GLU 9 3.691 -12.435 -2.135
49 H MET 10 H MET 10 -1.409 -13.388 -2.164
50 HA MET 10 HA MET 10 -2.359 -11.177 -3.586
51 HB2 MET 10 HB2 MET 10 -3.348 -13.563 -3.511
52 HB3 MET 10 HB3 MET 10 -4.207 -13.074 -2.021
53 HG2 MET 10 HG2 MET 10 -5.439 -11.315 -3.339
54 HG3 MET 10 HG3 MET 10 -4.442 -11.698 -4.782
55 HE1 MET 10 HE1 MET 10 -7.394 -11.767 -5.390
56 HE2 MET 10 HE2 MET 10 -6.179 -12.467 -6.516
57 HE3 MET 10 HE3 MET 10 -7.651 -13.399 -6.094
58 H ASN 11 H ASN 11 -2.274 -11.639 -0.017
59 HA ASN 11 HA ASN 11 -4.170 -9.409 0.377
60 HB2 ASN 11 HB2 ASN 11 -2.365 -10.677 2.485
61 HB3 ASN 11 HB3 ASN 11 -3.912 -9.830 2.728
62 HD21 ASN 11 HD21 ASN 11 -5.690 -11.152 0.880
63 HD22 ASN 11 HD22 ASN 11 -5.719 -12.826 1.265
64 H THR 12 H THR 12 -0.540 -9.979 0.620
65 HA THR 12 HA THR 12 -0.067 -7.417 1.771
66 HB THR 12 HB THR 12 2.275 -7.603 0.882
67 HG1 THR 12 HG1 THR 12 2.736 -9.551 -0.377
68 HG21 THR 12 HG21 THR 12 2.945 -9.622 2.169
69 HG22 THR 12 HG22 THR 12 1.259 -10.199 2.212
70 HG23 THR 12 HG23 THR 12 1.709 -8.691 3.057
71 H ILE 13 H ILE 13 -0.188 -8.488 -1.733
72 HA ILE 13 HA ILE 13 0.671 -6.029 -2.775
73 HB ILE 13 HB ILE 13 -0.573 -6.441 -4.854
74 HG12 ILE 13 HG12 ILE 13 -1.763 -8.900 -4.871
75 HG13 ILE 13 HG13 ILE 13 -2.079 -8.471 -3.186
76 HG21 ILE 13 HG21 ILE 13 0.561 -8.497 -5.530
77 HG22 ILE 13 HG22 ILE 13 1.613 -7.568 -4.439
78 HG23 ILE 13 HG23 ILE 13 0.768 -9.023 -3.844
79 HD11 ILE 13 HD11 ILE 13 -3.999 -7.840 -4.604
80 HD12 ILE 13 HD12 ILE 13 -3.243 -6.314 -4.090
81 HD13 ILE 13 HD13 ILE 13 -2.941 -6.938 -5.724
82 H LEU 14 H LEU 14 -2.564 -6.841 -1.348
83 HA LEU 14 HA LEU 14 -3.625 -4.327 -2.432
84 HB2 LEU 14 HB2 LEU 14 -4.839 -6.621 -2.025
85 HB3 LEU 14 HB3 LEU 14 -5.076 -6.041 -0.363
86 HG LEU 14 HG LEU 14 -5.924 -4.521 -2.939
87 HD11 LEU 14 HD11 LEU 14 -7.121 -6.690 -2.837
88 HD12 LEU 14 HD12 LEU 14 -8.238 -5.343 -2.511
89 HD13 LEU 14 HD13 LEU 14 -7.644 -6.353 -1.160
90 HD21 LEU 14 HD21 LEU 14 -5.721 -3.043 -0.918
91 HD22 LEU 14 HD22 LEU 14 -6.805 -4.134 -0.007
92 HD23 LEU 14 HD23 LEU 14 -7.418 -3.223 -1.420
93 H ASP 15 H ASP 15 -2.775 -5.652 0.906
94 HA ASP 15 HA ASP 15 -3.367 -3.241 2.241
95 HB2 ASP 15 HB2 ASP 15 -2.839 -5.391 3.417
96 HB3 ASP 15 HB3 ASP 15 -1.130 -5.247 2.947
97 H ASN 16 H ASN 16 -0.190 -4.364 0.845
98 HA ASN 16 HA ASN 16 1.089 -1.879 1.693
99 HB2 ASN 16 HB2 ASN 16 2.158 -4.163 1.707
100 HB3 ASN 16 HB3 ASN 16 2.228 -4.116 -0.078
101 HD21 ASN 16 HD21 ASN 16 4.602 -4.404 1.509
102 HD22 ASN 16 HD22 ASN 16 5.525 -2.958 1.348
103 H LEU 17 H LEU 17 0.009 -3.331 -1.511
104 HA LEU 17 HA LEU 17 1.124 -0.882 -2.811
105 HB2 LEU 17 HB2 LEU 17 1.620 -3.476 -3.372
106 HB3 LEU 17 HB3 LEU 17 0.229 -3.256 -4.456
107 HG LEU 17 HG LEU 17 2.842 -1.614 -4.409
108 HD11 LEU 17 HD11 LEU 17 1.801 -3.657 -6.468
109 HD12 LEU 17 HD12 LEU 17 3.109 -3.946 -5.285
110 HD13 LEU 17 HD13 LEU 17 3.332 -2.742 -6.580
111 HD21 LEU 17 HD21 LEU 17 0.933 -0.169 -5.178
112 HD22 LEU 17 HD22 LEU 17 0.459 -1.416 -6.369
113 HD23 LEU 17 HD23 LEU 17 2.021 -0.561 -6.532
114 H ALA 18 H ALA 18 -1.090 -0.227 -1.417
115 HA ALA 18 HA ALA 18 -2.718 0.747 -3.589
116 HB1 ALA 18 HB1 ALA 18 -4.293 -1.016 -1.622
117 HB2 ALA 18 HB2 ALA 18 -4.895 -0.154 -3.051
118 HB3 ALA 18 HB3 ALA 18 -3.816 -1.563 -3.251
119 H ALA 19 H ALA 19 -2.953 0.118 0.063
120 HA ALA 19 HA ALA 19 -4.124 2.660 0.598
121 HB1 ALA 19 HB1 ALA 19 -2.187 1.049 2.376
122 HB2 ALA 19 HB2 ALA 19 -3.213 2.421 2.895
123 HB3 ALA 19 HB3 ALA 19 -3.970 0.891 2.355
124 H ARG 20 H ARG 20 -0.616 1.591 0.258
125 HA ARG 20 HA ARG 20 0.545 4.032 0.908
126 HB2 ARG 20 HB2 ARG 20 1.337 1.983 -1.197
127 HB3 ARG 20 HB3 ARG 20 2.302 3.455 -0.967
128 HG2 ARG 20 HG2 ARG 20 1.690 1.556 1.374
129 HG3 ARG 20 HG3 ARG 20 3.109 1.362 0.313
130 HD2 ARG 20 HD2 ARG 20 3.919 3.630 0.876
131 HD3 ARG 20 HD3 ARG 20 2.541 3.869 2.008
132 HE ARG 20 HE ARG 20 3.859 1.479 2.779
133 HH11 ARG 20 HH12 ARG 20 4.509 5.026 2.636
134 HH12 ARG 20 HH11 ARG 20 5.604 4.950 4.010
135 HH21 ARG 20 HH22 ARG 20 5.280 1.494 4.529
136 HH22 ARG 20 HH21 ARG 20 6.036 2.998 5.060
137 H ASP 21 H ASP 21 -1.170 3.200 -2.189
138 HA ASP 21 HA ASP 21 -0.246 5.488 -3.548
139 HB2 ASP 21 HB2 ASP 21 -1.491 3.551 -4.618
140 HB3 ASP 21 HB3 ASP 21 -3.007 4.238 -3.982
141 H PHE 22 H PHE 22 -2.591 5.443 -0.838
142 HA PHE 22 HA PHE 22 -3.005 8.359 -1.381
143 HB2 PHE 22 HB2 PHE 22 -5.105 6.352 -0.447
144 HB3 PHE 22 HB3 PHE 22 -5.315 8.121 -0.508
145 HD1 PHE 22 HD1 PHE 22 -5.234 9.346 -2.698
146 HD2 PHE 22 HD2 PHE 22 -5.082 5.044 -2.553
147 HE1 PHE 22 HE1 PHE 22 -5.823 9.245 -5.099
148 HE2 PHE 22 HE2 PHE 22 -5.674 4.947 -4.956
149 HZ PHE 22 HZ PHE 22 -6.055 7.046 -6.231
150 H ILE 23 H ILE 23 -2.929 9.713 0.533
151 HA ILE 23 HA ILE 23 -2.220 10.255 2.627
152 HB ILE 23 HB ILE 23 -3.103 7.519 3.637
153 HG12 ILE 23 HG12 ILE 23 -4.959 8.388 2.231
154 HG13 ILE 23 HG13 ILE 23 -5.378 8.353 3.947
155 HG21 ILE 23 HG21 ILE 23 -2.891 10.271 4.994
156 HG22 ILE 23 HG22 ILE 23 -3.724 8.871 5.712
157 HG23 ILE 23 HG23 ILE 23 -1.990 8.799 5.403
158 HD11 ILE 23 HD11 ILE 23 -5.044 10.837 4.119
159 HD12 ILE 23 HD12 ILE 23 -4.538 10.902 2.406
160 HD13 ILE 23 HD13 ILE 23 -6.197 10.421 2.833
161 H ASN 24 H ASN 24 -0.369 9.132 0.686
162 HA ASN 24 HA ASN 24 1.787 8.934 2.538
163 HB2 ASN 24 HB2 ASN 24 1.837 6.418 0.834
164 HB3 ASN 24 HB3 ASN 24 2.758 6.847 2.266
165 HD21 ASN 24 HD21 ASN 24 -0.658 6.245 1.152
166 HD22 ASN 24 HD22 ASN 24 -1.158 5.449 2.593
167 H TRP 25 H TRP 25 0.996 7.899 -0.881
168 HA TRP 25 HA TRP 25 3.500 8.432 -1.822
169 HB2 TRP 25 HB2 TRP 25 2.811 8.034 -3.964
170 HB3 TRP 25 HB3 TRP 25 1.511 7.240 -3.074
171 HD1 TRP 25 HD1 TRP 25 1.848 8.813 -6.109
172 HE1 TRP 25 HE1 TRP 25 -0.119 10.143 -6.892
173 HE3 TRP 25 HE3 TRP 25 -0.725 9.374 -1.616
174 HZ2 TRP 25 HZ2 TRP 25 -2.387 11.293 -5.919
175 HZ3 TRP 25 HZ3 TRP 25 -2.677 10.931 -1.631
176 HH2 TRP 25 HH2 TRP 25 -3.555 11.806 -3.765
177 H LEU 26 H LEU 26 0.991 10.944 -1.285
178 HA LEU 26 HA LEU 26 3.083 12.961 -1.939
179 HB2 LEU 26 HB2 LEU 26 0.151 12.993 -2.874
180 HB3 LEU 26 HB3 LEU 26 1.255 14.385 -3.006
181 HG LEU 26 HG LEU 26 1.644 11.697 -4.456
182 HD11 LEU 26 HD11 LEU 26 0.709 14.403 -5.579
183 HD12 LEU 26 HD12 LEU 26 -0.359 13.012 -5.268
184 HD13 LEU 26 HD13 LEU 26 0.922 12.883 -6.498
185 HD21 LEU 26 HD21 LEU 26 3.854 12.858 -4.141
186 HD22 LEU 26 HD22 LEU 26 3.146 14.384 -4.735
187 HD23 LEU 26 HD23 LEU 26 3.338 12.986 -5.830
188 H ILE 27 H ILE 27 2.657 11.917 0.519
189 HA ILE 27 HA ILE 27 1.498 14.223 1.928
190 HB ILE 27 HB ILE 27 0.155 11.573 1.696
191 HG12 ILE 27 HG12 ILE 27 -0.935 13.752 1.037
192 HG13 ILE 27 HG13 ILE 27 -1.903 12.757 2.130
193 HG21 ILE 27 HG21 ILE 27 -0.789 11.634 4.095
194 HG22 ILE 27 HG22 ILE 27 0.878 11.074 3.947
195 HG23 ILE 27 HG23 ILE 27 0.549 12.731 4.515
196 HD11 ILE 27 HD11 ILE 27 -1.370 14.200 4.069
197 HD12 ILE 27 HD12 ILE 27 -0.270 15.199 3.082
198 HD13 ILE 27 HD13 ILE 27 -2.012 15.177 2.731
199 H GLN 28 H GLN 28 2.932 10.873 2.491
200 HA GLN 28 HA GLN 28 4.546 12.165 4.674
201 HB2 GLN 28 HB2 GLN 28 2.820 10.434 5.303
202 HB3 GLN 28 HB3 GLN 28 3.697 9.226 4.328
203 HG2 GLN 28 HG2 GLN 28 5.718 9.495 5.796
204 HG3 GLN 28 HG3 GLN 28 4.901 10.781 6.713
205 HE21 GLN 28 HE21 GLN 28 2.717 10.168 7.804
206 HE22 GLN 28 HE22 GLN 28 2.607 8.562 8.421
207 H THR 29 H THR 29 5.392 12.819 2.281
208 HA THR 29 HA THR 29 7.762 11.078 1.850
209 HB THR 29 HB THR 29 7.198 11.612 -0.773
210 HG1 THR 29 HG1 THR 29 5.015 12.466 -0.346
211 HG21 THR 29 HG21 THR 29 7.686 9.334 0.118
212 HG22 THR 29 HG22 THR 29 6.291 9.322 -0.996
213 HG23 THR 29 HG23 THR 29 6.018 9.224 0.766
214 H LYS 30 H LYS 30 6.192 14.178 0.576
215 HA LYS 30 HA LYS 30 8.937 15.390 0.722
216 HB2 LYS 30 HB2 LYS 30 6.371 16.229 -0.721
217 HB3 LYS 30 HB3 LYS 30 7.942 17.057 -0.860
218 HG2 LYS 30 HG2 LYS 30 8.971 15.196 -2.017
219 HG3 LYS 30 HG3 LYS 30 7.664 14.069 -1.582
220 HD2 LYS 30 HD2 LYS 30 6.034 15.301 -2.994
221 HD3 LYS 30 HD3 LYS 30 7.310 16.451 -3.489
222 HE2 LYS 30 HE2 LYS 30 8.609 14.568 -4.518
223 HE3 LYS 30 HE3 LYS 30 7.384 13.394 -3.961
224 HZ1 LYS 30 HZ1 LYS 30 5.692 14.495 -5.369
225 HZ2 LYS 30 HZ2 LYS 30 7.040 13.965 -6.318
226 HZ3 LYS 30 HZ3 LYS 30 6.871 15.656 -5.919
227 H ILE 31 H ILE 31 6.786 14.889 3.047
228 HA ILE 31 HA ILE 31 6.700 17.771 3.892
229 HB ILE 31 HB ILE 31 4.629 15.590 4.506
230 HG12 ILE 31 HG12 ILE 31 4.572 17.935 2.510
231 HG13 ILE 31 HG13 ILE 31 4.464 16.192 2.152
232 HG21 ILE 31 HG21 ILE 31 4.988 17.302 6.329
233 HG22 ILE 31 HG22 ILE 31 4.591 18.588 5.153
234 HG23 ILE 31 HG23 ILE 31 3.367 17.370 5.624
235 HD11 ILE 31 HD11 ILE 31 2.338 17.952 3.525
236 HD12 ILE 31 HD12 ILE 31 2.211 17.095 1.973
237 HD13 ILE 31 HD13 ILE 31 2.246 16.169 3.498
238 H THR 32 H THR 32 6.508 14.334 5.257
239 HA THR 32 HA THR 32 7.486 15.141 7.781
240 HB THR 32 HB THR 32 7.696 12.417 6.337
241 HG1 THR 32 HG1 THR 32 5.516 13.192 7.104
242 HG21 THR 32 HG21 THR 32 9.512 12.494 8.021
243 HG22 THR 32 HG22 THR 32 8.164 11.468 8.585
244 HG23 THR 32 HG23 THR 32 8.377 13.108 9.264
245 H ASP 33 H ASP 33 9.260 14.285 4.720
246 HA ASP 33 HA ASP 33 11.646 15.610 5.968
247 HB2 ASP 33 HB2 ASP 33 11.888 13.103 6.202
248 HB3 ASP 33 HB3 ASP 33 11.651 12.928 4.443
Start of MODEL 10
1 H1 HIS 1 H1 HIS 1 -8.583 -22.820 4.700
2 HA HIS 1 HA HIS 1 -6.750 -24.457 4.713
3 HB2 HIS 1 HB2 HIS 1 -8.878 -26.189 4.102
4 HB3 HIS 1 HB3 HIS 1 -8.101 -26.046 2.513
5 HD1 HIS 1 HD1 HIS 1 -7.011 -28.288 2.401
6 HD2 HIS 1 HD2 HIS 1 -6.337 -26.380 6.092
7 HE1 HIS 1 HE1 HIS 1 -5.391 -29.764 3.663
8 H ALA 2 H ALA 2 -5.275 -24.908 2.578
9 HA ALA 2 HA ALA 2 -6.009 -23.130 0.345
10 HB1 ALA 2 HB1 ALA 2 -3.740 -22.391 2.312
11 HB2 ALA 2 HB2 ALA 2 -4.132 -21.495 0.816
12 HB3 ALA 2 HB3 ALA 2 -5.288 -21.510 2.172
13 H ASP 3 H ASP 3 -4.011 -22.851 -1.201
14 HA ASP 3 HA ASP 3 -1.985 -24.961 -0.901
15 HB2 ASP 3 HB2 ASP 3 -2.735 -25.934 -3.226
16 HB3 ASP 3 HB3 ASP 3 -3.658 -26.414 -1.780
17 H GLY 4 H GLY 4 -0.045 -24.222 -1.952
18 HA2 GLY 4 HA2 GLY 4 1.121 -23.081 -3.659
19 HA3 GLY 4 HA3 GLY 4 -0.355 -22.239 -4.154
20 H SER 5 H SER 5 -0.516 -21.789 -0.808
21 HA SER 5 HA SER 5 -0.151 -19.842 0.392
22 HB2 SER 5 HB2 SER 5 1.984 -21.126 0.680
23 HB3 SER 5 HB3 SER 5 2.690 -20.240 -0.709
24 HG SER 5 HG SER 5 3.154 -19.171 1.364
25 H PHE 6 H PHE 6 -1.308 -19.341 -2.195
26 HA PHE 6 HA PHE 6 0.197 -17.025 -3.231
27 HB2 PHE 6 HB2 PHE 6 -1.589 -18.807 -4.467
28 HB3 PHE 6 HB3 PHE 6 -2.601 -17.371 -4.242
29 HD1 PHE 6 HD2 PHE 6 -1.330 -15.057 -4.851
30 HD2 PHE 6 HD1 PHE 6 -0.209 -18.907 -6.407
31 HE1 PHE 6 HE2 PHE 6 -0.242 -13.959 -6.779
32 HE2 PHE 6 HE1 PHE 6 0.886 -17.810 -8.325
33 HZ PHE 6 HZ PHE 6 0.869 -15.334 -8.527
34 H SER 7 H SER 7 -2.836 -17.730 -1.321
35 HA SER 7 HA SER 7 -4.040 -15.345 -1.126
36 HB2 SER 7 HB2 SER 7 -4.701 -17.297 0.292
37 HB3 SER 7 HB3 SER 7 -3.226 -17.101 1.273
38 HG SER 7 HG SER 7 -5.332 -15.158 1.117
39 H ASP 8 H ASP 8 -0.929 -16.118 0.701
40 HA ASP 8 HA ASP 8 -0.905 -13.677 2.109
41 HB2 ASP 8 HB2 ASP 8 0.693 -15.524 2.632
42 HB3 ASP 8 HB3 ASP 8 1.550 -15.236 1.095
43 H GLU 9 H GLU 9 0.541 -14.490 -1.176
44 HA GLU 9 HA GLU 9 1.562 -11.861 -1.569
45 HB2 GLU 9 HB2 GLU 9 0.687 -13.971 -3.613
46 HB3 GLU 9 HB3 GLU 9 1.384 -12.402 -4.081
47 HG2 GLU 9 HG2 GLU 9 2.818 -14.399 -2.215
48 HG3 GLU 9 HG3 GLU 9 3.092 -14.287 -3.970
49 H MET 10 H MET 10 -1.678 -13.283 -2.594
50 HA MET 10 HA MET 10 -2.609 -10.918 -3.806
51 HB2 MET 10 HB2 MET 10 -4.200 -12.994 -2.183
52 HB3 MET 10 HB3 MET 10 -4.965 -11.637 -3.054
53 HG2 MET 10 HG2 MET 10 -4.023 -12.436 -5.226
54 HG3 MET 10 HG3 MET 10 -3.316 -13.856 -4.388
55 HE1 MET 10 HE1 MET 10 -4.711 -15.475 -6.103
56 HE2 MET 10 HE2 MET 10 -6.478 -15.295 -6.357
57 HE3 MET 10 HE3 MET 10 -5.363 -13.991 -6.878
58 H ASN 11 H ASN 11 -2.376 -11.692 -0.273
59 HA ASN 11 HA ASN 11 -4.083 -9.358 0.363
60 HB2 ASN 11 HB2 ASN 11 -2.698 -11.457 2.107
61 HB3 ASN 11 HB3 ASN 11 -3.411 -9.968 2.765
62 HD21 ASN 11 HD21 ASN 11 -4.431 -12.678 0.434
63 HD22 ASN 11 HD22 ASN 11 -6.050 -12.670 1.011
64 H THR 12 H THR 12 -0.504 -10.168 0.434
65 HA THR 12 HA THR 12 0.090 -7.724 1.860
66 HB THR 12 HB THR 12 2.439 -8.057 1.002
67 HG1 THR 12 HG1 THR 12 2.755 -10.053 -0.246
68 HG21 THR 12 HG21 THR 12 1.128 -10.535 2.306
69 HG22 THR 12 HG22 THR 12 1.752 -9.097 3.161
70 HG23 THR 12 HG23 THR 12 2.876 -10.173 2.289
71 H ILE 13 H ILE 13 0.076 -8.619 -1.709
72 HA ILE 13 HA ILE 13 1.010 -6.077 -2.512
73 HB ILE 13 HB ILE 13 -0.021 -6.360 -4.719
74 HG12 ILE 13 HG12 ILE 13 -1.149 -8.804 -5.051
75 HG13 ILE 13 HG13 ILE 13 -1.640 -8.543 -3.371
76 HG21 ILE 13 HG21 ILE 13 1.219 -8.353 -5.416
77 HG22 ILE 13 HG22 ILE 13 2.143 -7.478 -4.174
78 HG23 ILE 13 HG23 ILE 13 1.275 -8.979 -3.750
79 HD11 ILE 13 HD11 ILE 13 -2.289 -6.761 -5.807
80 HD12 ILE 13 HD12 ILE 13 -3.426 -7.821 -4.929
81 HD13 ILE 13 HD13 ILE 13 -2.789 -6.355 -4.149
82 H LEU 14 H LEU 14 -2.315 -7.035 -1.437
83 HA LEU 14 HA LEU 14 -3.332 -4.472 -2.427
84 HB2 LEU 14 HB2 LEU 14 -4.593 -6.859 -2.021
85 HB3 LEU 14 HB3 LEU 14 -4.941 -6.105 -0.457
86 HG LEU 14 HG LEU 14 -6.801 -5.747 -1.947
87 HD11 LEU 14 HD11 LEU 14 -7.057 -3.311 -2.008
88 HD12 LEU 14 HD12 LEU 14 -5.297 -3.072 -1.931
89 HD13 LEU 14 HD13 LEU 14 -6.164 -3.750 -0.523
90 HD21 LEU 14 HD21 LEU 14 -6.711 -4.716 -4.171
91 HD22 LEU 14 HD22 LEU 14 -5.650 -6.146 -4.137
92 HD23 LEU 14 HD23 LEU 14 -4.949 -4.506 -4.084
93 H ASP 15 H ASP 15 -2.826 -5.979 0.886
94 HA ASP 15 HA ASP 15 -3.478 -3.631 2.298
95 HB2 ASP 15 HB2 ASP 15 -3.195 -5.812 3.444
96 HB3 ASP 15 HB3 ASP 15 -1.459 -5.839 3.062
97 H ASN 16 H ASN 16 -0.184 -4.808 1.252
98 HA ASN 16 HA ASN 16 1.062 -2.470 2.419
99 HB2 ASN 16 HB2 ASN 16 2.106 -4.762 2.235
100 HB3 ASN 16 HB3 ASN 16 2.330 -4.487 0.484
101 HD21 ASN 16 HD21 ASN 16 4.528 -4.986 2.333
102 HD22 ASN 16 HD22 ASN 16 5.476 -3.548 2.372
103 H LEU 17 H LEU 17 0.297 -3.527 -1.028
104 HA LEU 17 HA LEU 17 1.542 -0.953 -1.912
105 HB2 LEU 17 HB2 LEU 17 2.137 -3.492 -2.663
106 HB3 LEU 17 HB3 LEU 17 0.894 -3.160 -3.883
107 HG LEU 17 HG LEU 17 3.474 -1.566 -3.322
108 HD11 LEU 17 HD11 LEU 17 4.228 -2.418 -5.532
109 HD12 LEU 17 HD12 LEU 17 2.681 -3.287 -5.755
110 HD13 LEU 17 HD13 LEU 17 3.812 -3.784 -4.464
111 HD21 LEU 17 HD21 LEU 17 1.729 0.045 -4.123
112 HD22 LEU 17 HD22 LEU 17 1.322 -1.048 -5.480
113 HD23 LEU 17 HD23 LEU 17 2.918 -0.255 -5.413
114 H ALA 18 H ALA 18 -0.811 -0.354 -0.793
115 HA ALA 18 HA ALA 18 -2.210 0.710 -3.084
116 HB1 ALA 18 HB1 ALA 18 -3.963 -1.150 -1.400
117 HB2 ALA 18 HB2 ALA 18 -4.406 -0.281 -2.882
118 HB3 ALA 18 HB3 ALA 18 -3.267 -1.657 -2.971
119 H ALA 19 H ALA 19 -2.777 -0.110 0.487
120 HA ALA 19 HA ALA 19 -4.237 2.172 1.141
121 HB1 ALA 19 HB1 ALA 19 -3.598 0.442 2.853
122 HB2 ALA 19 HB2 ALA 19 -1.885 0.942 2.740
123 HB3 ALA 19 HB3 ALA 19 -3.106 2.072 3.400
124 H ARG 20 H ARG 20 -0.635 1.813 0.607
125 HA ARG 20 HA ARG 20 -0.076 4.442 1.438
126 HB2 ARG 20 HB2 ARG 20 2.130 4.199 0.572
127 HB3 ARG 20 HB3 ARG 20 1.624 2.584 1.119
128 HG2 ARG 20 HG2 ARG 20 0.945 2.210 -1.450
129 HG3 ARG 20 HG3 ARG 20 1.918 3.678 -1.740
130 HD2 ARG 20 HD2 ARG 20 3.824 2.452 -0.406
131 HD3 ARG 20 HD3 ARG 20 2.761 1.004 -0.527
132 HE ARG 20 HE ARG 20 3.265 2.224 -3.134
133 HH11 ARG 20 HH12 ARG 20 4.832 0.163 -0.608
134 HH12 ARG 20 HH11 ARG 20 5.904 -0.575 -1.789
135 HH21 ARG 20 HH22 ARG 20 4.737 1.257 -4.538
136 HH22 ARG 20 HH21 ARG 20 5.860 0.026 -3.958
137 H ASP 21 H ASP 21 -1.353 3.229 -1.716
138 HA ASP 21 HA ASP 21 -0.761 5.728 -3.060
139 HB2 ASP 21 HB2 ASP 21 -2.663 3.484 -3.885
140 HB3 ASP 21 HB3 ASP 21 -2.183 4.874 -4.892
141 H PHE 22 H PHE 22 -1.816 6.751 -0.824
142 HA PHE 22 HA PHE 22 -4.080 8.180 -1.725
143 HB2 PHE 22 HB2 PHE 22 -5.489 6.197 -1.218
144 HB3 PHE 22 HB3 PHE 22 -4.757 6.071 0.394
145 HD1 PHE 22 HD1 PHE 22 -6.529 8.534 -1.888
146 HD2 PHE 22 HD2 PHE 22 -5.935 7.250 2.180
147 HE1 PHE 22 HE1 PHE 22 -8.069 10.300 -1.103
148 HE2 PHE 22 HE2 PHE 22 -7.521 8.982 2.951
149 HZ PHE 22 HZ PHE 22 -8.569 10.533 1.318
150 H ILE 23 H ILE 23 -2.526 9.834 -1.073
151 HA ILE 23 HA ILE 23 -1.743 11.377 0.380
152 HB ILE 23 HB ILE 23 -3.234 10.091 2.685
153 HG12 ILE 23 HG12 ILE 23 -4.833 10.451 0.790
154 HG13 ILE 23 HG13 ILE 23 -5.159 11.498 2.177
155 HG21 ILE 23 HG21 ILE 23 -1.753 11.793 3.571
156 HG22 ILE 23 HG22 ILE 23 -2.115 12.915 2.242
157 HG23 ILE 23 HG23 ILE 23 -3.348 12.532 3.471
158 HD11 ILE 23 HD11 ILE 23 -3.748 12.391 -0.418
159 HD12 ILE 23 HD12 ILE 23 -5.433 12.728 0.043
160 HD13 ILE 23 HD13 ILE 23 -4.106 13.445 0.985
161 H ASN 24 H ASN 24 -0.298 8.745 -0.238
162 HA ASN 24 HA ASN 24 1.864 9.438 1.613
163 HB2 ASN 24 HB2 ASN 24 1.119 6.480 1.534
164 HB3 ASN 24 HB3 ASN 24 2.221 7.306 2.639
165 HD21 ASN 24 HD21 ASN 24 -1.286 6.882 1.702
166 HD22 ASN 24 HD22 ASN 24 -1.896 7.282 3.260
167 H TRP 25 H TRP 25 1.843 10.060 -0.952
168 HA TRP 25 HA TRP 25 3.902 8.705 -2.264
169 HB2 TRP 25 HB2 TRP 25 3.011 6.743 -3.058
170 HB3 TRP 25 HB3 TRP 25 1.453 7.083 -2.299
171 HD1 TRP 25 HD1 TRP 25 3.108 7.059 -5.693
172 HE1 TRP 25 HE1 TRP 25 1.323 7.297 -7.456
173 HE3 TRP 25 HE3 TRP 25 -0.944 8.284 -2.680
174 HZ2 TRP 25 HZ2 TRP 25 -1.342 7.852 -7.666
175 HZ3 TRP 25 HZ3 TRP 25 -3.116 8.746 -3.833
176 HH2 TRP 25 HH2 TRP 25 -3.328 8.479 -6.274
177 H LEU 26 H LEU 26 0.617 10.067 -2.942
178 HA LEU 26 HA LEU 26 1.585 11.521 -5.272
179 HB2 LEU 26 HB2 LEU 26 -0.738 10.600 -4.985
180 HB3 LEU 26 HB3 LEU 26 -1.012 11.743 -3.647
181 HG LEU 26 HG LEU 26 -0.792 13.642 -5.327
182 HD11 LEU 26 HD11 LEU 26 -0.515 11.311 -7.344
183 HD12 LEU 26 HD12 LEU 26 0.609 12.680 -7.118
184 HD13 LEU 26 HD13 LEU 26 -0.996 12.954 -7.822
185 HD21 LEU 26 HD21 LEU 26 -3.041 12.636 -4.732
186 HD22 LEU 26 HD22 LEU 26 -2.866 11.471 -6.073
187 HD23 LEU 26 HD23 LEU 26 -3.014 13.218 -6.415
188 H ILE 27 H ILE 27 1.073 12.121 -1.760
189 HA ILE 27 HA ILE 27 0.831 14.751 -1.580
190 HB ILE 27 HB ILE 27 2.091 14.784 0.557
191 HG12 ILE 27 HG12 ILE 27 2.693 12.035 1.114
192 HG13 ILE 27 HG13 ILE 27 3.309 12.251 -0.522
193 HG21 ILE 27 HG21 ILE 27 -0.299 13.977 0.442
194 HG22 ILE 27 HG22 ILE 27 0.337 12.306 0.417
195 HG23 ILE 27 HG23 ILE 27 0.637 13.343 1.821
196 HD11 ILE 27 HD11 ILE 27 4.523 14.377 0.406
197 HD12 ILE 27 HD12 ILE 27 4.041 13.829 2.026
198 HD13 ILE 27 HD13 ILE 27 5.121 12.809 1.028
199 H GLN 28 H GLN 28 4.127 13.330 -2.457
200 HA GLN 28 HA GLN 28 4.966 16.208 -2.816
201 HB2 GLN 28 HB2 GLN 28 6.231 14.813 -1.029
202 HB3 GLN 28 HB3 GLN 28 6.862 13.841 -2.371
203 HG2 GLN 28 HG2 GLN 28 7.852 16.015 -3.331
204 HG3 GLN 28 HG3 GLN 28 7.111 16.903 -1.968
205 HE21 GLN 28 HE21 GLN 28 9.306 17.676 -1.329
206 HE22 GLN 28 HE22 GLN 28 10.341 16.589 -0.487
207 H THR 29 H THR 29 3.415 15.484 -4.759
208 HA THR 29 HA THR 29 5.300 14.979 -6.983
209 HB THR 29 HB THR 29 2.929 13.125 -6.423
210 HG1 THR 29 HG1 THR 29 5.715 12.540 -6.326
211 HG21 THR 29 HG21 THR 29 4.941 13.102 -8.753
212 HG22 THR 29 HG22 THR 29 3.200 13.502 -8.878
213 HG23 THR 29 HG23 THR 29 3.707 11.852 -8.422
214 H LYS 30 H LYS 30 1.652 15.158 -6.295
215 HA LYS 30 HA LYS 30 1.557 17.141 -8.547
216 HB2 LYS 30 HB2 LYS 30 0.216 14.927 -8.563
217 HB3 LYS 30 HB3 LYS 30 -0.729 15.612 -7.217
218 HG2 LYS 30 HG2 LYS 30 -1.980 15.933 -9.249
219 HG3 LYS 30 HG3 LYS 30 -1.386 17.552 -8.809
220 HD2 LYS 30 HD2 LYS 30 0.402 17.397 -10.555
221 HD3 LYS 30 HD3 LYS 30 -0.032 15.694 -10.880
222 HE2 LYS 30 HE2 LYS 30 -2.274 16.406 -11.704
223 HE3 LYS 30 HE3 LYS 30 -1.896 18.109 -11.311
224 HZ1 LYS 30 HZ1 LYS 30 -0.382 16.388 -13.310
225 HZ2 LYS 30 HZ2 LYS 30 -0.052 18.063 -12.947
226 HZ3 LYS 30 HZ3 LYS 30 -1.551 17.615 -13.705
227 H ILE 31 H ILE 31 2.701 17.859 -5.967
228 HA ILE 31 HA ILE 31 0.770 20.032 -5.354
229 HB ILE 31 HB ILE 31 2.131 18.398 -3.132
230 HG12 ILE 31 HG12 ILE 31 -0.797 18.435 -4.059
231 HG13 ILE 31 HG13 ILE 31 0.342 17.057 -4.079
232 HG21 ILE 31 HG21 ILE 31 1.875 20.901 -2.719
233 HG22 ILE 31 HG22 ILE 31 0.114 20.718 -2.954
234 HG23 ILE 31 HG23 ILE 31 0.942 19.910 -1.589
235 HD11 ILE 31 HD11 ILE 31 -1.121 16.725 -2.183
236 HD12 ILE 31 HD12 ILE 31 0.448 17.249 -1.503
237 HD13 ILE 31 HD13 ILE 31 -0.918 18.399 -1.613
238 H THR 32 H THR 32 4.099 18.779 -4.319
239 HA THR 32 HA THR 32 5.219 21.343 -4.131
240 HB THR 32 HB THR 32 6.579 18.743 -5.074
241 HG1 THR 32 HG1 THR 32 6.084 19.654 -2.397
242 HG21 THR 32 HG21 THR 32 7.740 21.225 -3.637
243 HG22 THR 32 HG22 THR 32 8.105 20.716 -5.314
244 HG23 THR 32 HG23 THR 32 8.616 19.696 -3.937
245 H ASP 33 H ASP 33 4.613 19.273 -7.063
246 HA ASP 33 HA ASP 33 6.176 20.477 -8.960
247 HB2 ASP 33 HB2 ASP 33 4.455 18.729 -9.514
248 HB3 ASP 33 HB3 ASP 33 3.156 19.919 -9.244