NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567579 |
2m1j   |
18865 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 14.572 13.661 -4.495
2 H2 MET 1 H2 MET 1 13.750 13.400 -3.077
3 H3 MET 1 H3 MET 1 13.082 12.973 -4.528
4 HA MET 1 HA MET 1 14.755 11.358 -4.918
5 HB2 MET 1 HB2 MET 1 16.480 12.604 -3.525
6 HB3 MET 1 HB3 MET 1 15.725 11.915 -2.085
7 HG2 MET 1 HG2 MET 1 16.299 9.671 -2.791
8 HG3 MET 1 HG3 MET 1 16.725 10.237 -4.403
9 HE1 MET 1 HE1 MET 1 19.357 10.940 -0.663
10 HE2 MET 1 HE2 MET 1 17.798 11.773 -0.853
11 HE3 MET 1 HE3 MET 1 17.850 10.005 -0.656
12 H ARG 2 H ARG 2 13.889 9.391 -4.723
13 HA ARG 2 HA ARG 2 11.344 8.982 -3.870
14 HB2 ARG 2 HB2 ARG 2 13.573 6.948 -4.106
15 HB3 ARG 2 HB3 ARG 2 11.883 6.502 -3.892
16 HG2 ARG 2 HG2 ARG 2 11.242 7.523 -5.995
17 HG3 ARG 2 HG3 ARG 2 12.852 8.210 -6.222
18 HD2 ARG 2 HD2 ARG 2 12.644 6.262 -7.613
19 HD3 ARG 2 HD3 ARG 2 13.816 5.911 -6.343
20 HE ARG 2 HE ARG 2 11.046 4.849 -6.651
21 HH11 ARG 2 1HH1 ARG 2 14.159 4.440 -5.022
22 HH12 ARG 2 2HH1 ARG 2 13.527 3.179 -3.984
23 HH21 ARG 2 1HH2 ARG 2 10.362 3.219 -5.294
24 HH22 ARG 2 2HH2 ARG 2 11.505 2.425 -4.245
25 H LYS 3 H LYS 3 10.229 8.777 -2.136
26 HA LYS 3 HA LYS 3 11.464 8.323 0.511
27 HB2 LYS 3 HB2 LYS 3 9.386 9.196 1.427
28 HB3 LYS 3 HB3 LYS 3 10.013 10.269 0.181
29 HG2 LYS 3 HG2 LYS 3 8.341 9.363 -1.443
30 HG3 LYS 3 HG3 LYS 3 7.764 8.242 -0.216
31 HD2 LYS 3 HD2 LYS 3 6.250 10.147 -0.406
32 HD3 LYS 3 HD3 LYS 3 6.983 10.069 1.190
33 HE2 LYS 3 HE2 LYS 3 6.896 12.376 0.492
34 HE3 LYS 3 HE3 LYS 3 8.582 11.854 0.565
35 HZ1 LYS 3 HZ1 LYS 3 6.948 12.202 -1.903
36 HZ2 LYS 3 HZ2 LYS 3 8.245 13.093 -1.431
37 HZ3 LYS 3 HZ3 LYS 3 8.469 11.551 -1.888
38 H HIS 4 H HIS 4 9.979 6.296 -1.661
39 HA HIS 4 HA HIS 4 8.844 4.492 0.422
40 HB2 HIS 4 HB2 HIS 4 8.865 4.168 -2.593
41 HB3 HIS 4 HB3 HIS 4 7.985 3.168 -1.435
42 HD2 HIS 4 HD2 HIS 4 6.583 5.300 0.407
43 HE1 HIS 4 HE1 HIS 4 5.151 7.202 -3.128
44 HE2 HIS 4 HE2 HIS 4 4.861 7.017 -0.608
45 H LEU 5 H LEU 5 9.438 2.283 0.671
46 HA LEU 5 HA LEU 5 12.131 1.450 -0.140
47 HB2 LEU 5 HB2 LEU 5 13.145 1.604 2.001
48 HB3 LEU 5 HB3 LEU 5 12.613 3.186 1.531
49 HG LEU 5 HG LEU 5 10.772 1.600 3.333
50 HD11 LEU 5 1HD1 LEU 5 13.004 1.214 4.316
51 HD12 LEU 5 2HD1 LEU 5 13.311 2.964 4.294
52 HD13 LEU 5 3HD1 LEU 5 12.029 2.293 5.318
53 HD21 LEU 5 3HD2 LEU 5 11.606 4.528 3.269
54 HD22 LEU 5 1HD2 LEU 5 10.098 3.867 2.614
55 HD23 LEU 5 2HD2 LEU 5 10.405 3.812 4.352
56 H GLY 6 H GLY 6 12.138 -0.052 2.620
57 HA2 GLY 6 HA2 GLY 6 10.043 -2.062 2.363
58 HA3 GLY 6 HA3 GLY 6 11.698 -2.643 2.052
59 H GLY 7 H GLY 7 9.433 -1.876 4.488
60 HA2 GLY 7 HA2 GLY 7 11.074 -2.043 6.789
61 HA3 GLY 7 HA3 GLY 7 11.031 -0.365 6.271
62 H CYS 8 H CYS 8 9.868 0.198 8.248
63 HA CYS 8 HA CYS 8 7.187 -0.535 8.839
64 HB2 CYS 8 HB2 CYS 8 8.860 1.972 9.250
65 HB3 CYS 8 HB3 CYS 8 7.142 1.899 9.702
66 HG CYS 8 HG CYS 8 8.480 1.512 11.851
67 H TRP 9 H TRP 9 8.400 1.355 6.134
68 HA TRP 9 HA TRP 9 6.112 2.749 5.365
69 HB2 TRP 9 HB2 TRP 9 7.945 3.287 4.111
70 HB3 TRP 9 HB3 TRP 9 8.549 1.650 4.088
71 HD1 TRP 9 HD1 TRP 9 8.199 0.211 2.122
72 HE1 TRP 9 HE1 TRP 9 6.869 0.291 -0.086
73 HE3 TRP 9 HE3 TRP 9 5.364 4.328 3.091
74 HZ2 TRP 9 HZ2 TRP 9 4.665 1.817 -1.156
75 HZ3 TRP 9 HZ3 TRP 9 3.517 4.964 1.554
76 HH2 TRP 9 HH2 TRP 9 3.157 3.727 -0.554
77 H LEU 10 H LEU 10 6.746 -0.719 5.065
78 HA LEU 10 HA LEU 10 4.595 -1.317 3.248
79 HB2 LEU 10 HB2 LEU 10 5.946 -3.069 5.334
80 HB3 LEU 10 HB3 LEU 10 4.938 -3.648 4.012
81 HG LEU 10 HG LEU 10 7.579 -2.162 3.650
82 HD11 LEU 10 1HD1 LEU 10 7.897 -4.387 4.655
83 HD12 LEU 10 2HD1 LEU 10 6.951 -5.115 3.340
84 HD13 LEU 10 3HD1 LEU 10 8.503 -4.333 2.991
85 HD21 LEU 10 3HD2 LEU 10 7.435 -2.952 1.304
86 HD22 LEU 10 1HD2 LEU 10 5.821 -3.613 1.626
87 HD23 LEU 10 2HD2 LEU 10 6.103 -1.861 1.698
88 H ALA 11 H ALA 11 4.534 -0.533 6.678
89 HA ALA 11 HA ALA 11 2.068 -1.832 7.341
90 HB1 ALA 11 HB1 ALA 11 3.276 0.710 8.510
91 HB2 ALA 11 HB2 ALA 11 2.128 -0.391 9.289
92 HB3 ALA 11 HB3 ALA 11 3.786 -0.934 8.947
93 H ILE 12 H ILE 12 2.712 1.076 5.467
94 HA ILE 12 HA ILE 12 -0.053 2.102 5.597
95 HB ILE 12 HB ILE 12 2.325 2.843 3.830
96 HG12 ILE 12 2HG1 ILE 12 1.794 5.057 5.349
97 HG13 ILE 12 3HG1 ILE 12 1.287 3.822 6.491
98 HG21 ILE 12 1HG2 ILE 12 -0.392 4.189 4.078
99 HG22 ILE 12 2HG2 ILE 12 1.015 4.858 3.228
100 HG23 ILE 12 3HG2 ILE 12 0.265 3.387 2.631
101 HD11 ILE 12 3HD1 ILE 12 4.017 3.998 5.128
102 HD12 ILE 12 1HD1 ILE 12 3.644 4.536 6.774
103 HD13 ILE 12 2HD1 ILE 12 3.558 2.813 6.375
104 H VAL 13 H VAL 13 1.922 0.123 3.434
105 HA VAL 13 HA VAL 13 -0.060 -0.107 1.332
106 HB VAL 13 HB VAL 13 2.286 -1.974 1.758
107 HG11 VAL 13 1HG1 VAL 13 2.232 -2.141 -0.691
108 HG12 VAL 13 2HG1 VAL 13 0.655 -2.576 -0.026
109 HG13 VAL 13 3HG1 VAL 13 0.887 -0.981 -0.763
110 HG21 VAL 13 3HG2 VAL 13 2.346 0.757 0.418
111 HG22 VAL 13 1HG2 VAL 13 3.258 0.275 1.865
112 HG23 VAL 13 2HG2 VAL 13 3.623 -0.471 0.311
113 H CYS 14 H CYS 14 1.020 -2.324 3.916
114 HA CYS 14 HA CYS 14 -0.462 -4.584 3.314
115 HB2 CYS 14 HB2 CYS 14 0.397 -3.340 5.948
116 HB3 CYS 14 HB3 CYS 14 -0.413 -4.893 5.883
117 HG CYS 14 HG CYS 14 2.415 -3.836 4.627
118 H VAL 15 H VAL 15 -1.596 -1.983 5.492
119 HA VAL 15 HA VAL 15 -4.128 -3.228 5.910
120 HB VAL 15 HB VAL 15 -2.999 -1.698 7.369
121 HG11 VAL 15 1HG1 VAL 15 -3.962 0.520 5.504
122 HG12 VAL 15 2HG1 VAL 15 -3.184 0.740 7.083
123 HG13 VAL 15 3HG1 VAL 15 -2.268 0.031 5.743
124 HG21 VAL 15 3HG2 VAL 15 -5.802 -0.781 6.515
125 HG22 VAL 15 1HG2 VAL 15 -5.448 -2.108 7.642
126 HG23 VAL 15 2HG2 VAL 15 -5.065 -0.438 8.096
127 H LEU 16 H LEU 16 -3.095 -0.970 3.427
128 HA LEU 16 HA LEU 16 -5.752 -0.458 2.335
129 HB2 LEU 16 HB2 LEU 16 -4.032 1.093 1.808
130 HB3 LEU 16 HB3 LEU 16 -2.859 -0.158 1.455
131 HG LEU 16 HG LEU 16 -4.105 -0.725 -0.644
132 HD11 LEU 16 1HD1 LEU 16 -6.302 0.241 0.042
133 HD12 LEU 16 2HD1 LEU 16 -5.595 1.862 -0.003
134 HD13 LEU 16 3HD1 LEU 16 -5.730 0.907 -1.499
135 HD21 LEU 16 3HD2 LEU 16 -2.131 0.728 -0.674
136 HD22 LEU 16 1HD2 LEU 16 -3.322 1.263 -1.869
137 HD23 LEU 16 2HD2 LEU 16 -3.147 2.149 -0.339
138 H LEU 17 H LEU 17 -3.115 -2.828 1.793
139 HA LEU 17 HA LEU 17 -4.423 -3.971 -0.487
140 HB2 LEU 17 HB2 LEU 17 -2.585 -5.118 -0.929
141 HB3 LEU 17 HB3 LEU 17 -1.944 -3.826 0.059
142 HG LEU 17 HG LEU 17 -2.120 -5.545 1.998
143 HD11 LEU 17 1HD1 LEU 17 -3.292 -7.395 0.912
144 HD12 LEU 17 2HD1 LEU 17 -2.093 -7.386 -0.397
145 HD13 LEU 17 3HD1 LEU 17 -1.638 -7.888 1.244
146 HD21 LEU 17 3HD2 LEU 17 0.146 -6.359 1.474
147 HD22 LEU 17 1HD2 LEU 17 -0.074 -5.897 -0.228
148 HD23 LEU 17 2HD2 LEU 17 -0.010 -4.652 1.032
149 H PHE 18 H PHE 18 -4.755 -4.749 2.913
150 HA PHE 18 HA PHE 18 -6.475 -7.025 2.112
151 HB2 PHE 18 HB2 PHE 18 -6.850 -7.528 4.416
152 HB3 PHE 18 HB3 PHE 18 -5.196 -7.672 3.859
153 HD1 PHE 18 HD1 PHE 18 -7.487 -5.382 5.642
154 HD2 PHE 18 HD2 PHE 18 -3.428 -6.630 5.085
155 HE1 PHE 18 HE1 PHE 18 -6.874 -4.337 7.841
156 HE2 PHE 18 HE2 PHE 18 -2.801 -5.643 7.289
157 HZ PHE 18 HZ PHE 18 -4.537 -4.515 8.683
158 H SER 19 H SER 19 -6.858 -3.752 3.347
159 HA SER 19 HA SER 19 -9.619 -3.778 3.975
160 HB2 SER 19 HB2 SER 19 -7.817 -1.656 2.765
161 HB3 SER 19 HB3 SER 19 -9.511 -1.338 3.179
162 HG SER 19 HG SER 19 -7.367 -2.078 4.837
163 H GLN 20 H GLN 20 -8.038 -3.262 0.848
164 HA GLN 20 HA GLN 20 -10.455 -2.767 -0.671
165 HB2 GLN 20 HB2 GLN 20 -7.696 -3.646 -1.577
166 HB3 GLN 20 HB3 GLN 20 -8.939 -2.993 -2.626
167 HG2 GLN 20 HG2 GLN 20 -7.961 -1.391 -0.231
168 HG3 GLN 20 HG3 GLN 20 -6.975 -1.480 -1.679
169 HE21 GLN 20 2HE2 GLN 20 -8.531 0.688 -0.183
170 HE22 GLN 20 1HE2 GLN 20 -9.332 1.517 -1.511
171 H LEU 21 H LEU 21 -8.354 -5.590 -0.406
172 HA LEU 21 HA LEU 21 -9.739 -7.620 -1.731
173 HB2 LEU 21 HB2 LEU 21 -7.645 -8.110 -1.082
174 HB3 LEU 21 HB3 LEU 21 -7.760 -7.319 0.461
175 HG LEU 21 HG LEU 21 -9.109 -9.991 0.020
176 HD11 LEU 21 1HD1 LEU 21 -6.717 -10.188 -0.580
177 HD12 LEU 21 2HD1 LEU 21 -6.253 -9.399 0.937
178 HD13 LEU 21 3HD1 LEU 21 -7.042 -10.991 0.964
179 HD21 LEU 21 3HD2 LEU 21 -8.793 -10.217 2.446
180 HD22 LEU 21 1HD2 LEU 21 -7.956 -8.659 2.538
181 HD23 LEU 21 2HD2 LEU 21 -9.666 -8.715 2.161
182 H SER 22 H SER 22 -10.441 -6.334 1.484
183 HA SER 22 HA SER 22 -12.430 -8.363 2.111
184 HB2 SER 22 HB2 SER 22 -10.997 -7.310 3.846
185 HB3 SER 22 HB3 SER 22 -11.547 -5.769 3.372
186 HG SER 22 HG SER 22 -13.143 -7.876 4.485
187 H SER 23 H SER 23 -12.563 -4.982 1.003
188 HA SER 23 HA SER 23 -15.107 -4.415 1.967
189 HB2 SER 23 HB2 SER 23 -13.227 -2.868 1.157
190 HB3 SER 23 HB3 SER 23 -13.924 -3.034 -0.454
191 HG SER 23 HG SER 23 -15.279 -2.167 1.909
192 H VAL 24 H VAL 24 -14.538 -6.307 -0.869
193 HA VAL 24 HA VAL 24 -16.941 -5.679 -2.252
194 HB VAL 24 HB VAL 24 -16.375 -7.676 -3.512
195 HG11 VAL 24 1HG1 VAL 24 -13.777 -6.196 -2.926
196 HG12 VAL 24 2HG1 VAL 24 -14.239 -6.981 -4.446
197 HG13 VAL 24 3HG1 VAL 24 -15.088 -5.520 -3.915
198 HG21 VAL 24 3HG2 VAL 24 -14.297 -8.990 -3.104
199 HG22 VAL 24 1HG2 VAL 24 -14.190 -8.264 -1.493
200 HG23 VAL 24 2HG2 VAL 24 -15.574 -9.299 -1.945
201 H LYS 25 H LYS 25 -16.124 -8.160 0.044
202 HA LYS 25 HA LYS 25 -18.882 -9.198 0.025
203 HB2 LYS 25 HB2 LYS 25 -17.858 -11.174 1.177
204 HB3 LYS 25 HB3 LYS 25 -17.148 -10.840 -0.407
205 HG2 LYS 25 HG2 LYS 25 -15.233 -9.673 0.696
206 HG3 LYS 25 HG3 LYS 25 -15.940 -10.023 2.281
207 HD2 LYS 25 HD2 LYS 25 -15.665 -12.429 1.877
208 HD3 LYS 25 HD3 LYS 25 -15.050 -12.100 0.239
209 HE2 LYS 25 HE2 LYS 25 -13.214 -10.708 1.239
210 HE3 LYS 25 HE3 LYS 25 -13.817 -11.114 2.853
211 HZ1 LYS 25 HZ1 LYS 25 -13.405 -13.487 2.245
212 HZ2 LYS 25 HZ2 LYS 25 -12.654 -12.989 0.878
213 HZ3 LYS 25 HZ3 LYS 25 -12.040 -12.567 2.345
214 H ALA 26 H ALA 26 -17.073 -7.095 1.719
215 HA ALA 26 HA ALA 26 -18.523 -7.291 4.314
216 HB1 ALA 26 HB1 ALA 26 -15.522 -7.786 4.040
217 HB2 ALA 26 HB2 ALA 26 -16.414 -7.700 5.562
218 HB3 ALA 26 HB3 ALA 26 -16.739 -9.017 4.439
219 H ARG 27 H ARG 27 -16.984 -5.632 5.906
220 HA ARG 27 HA ARG 27 -17.473 -3.061 4.624
221 HB2 ARG 27 HB2 ARG 27 -16.268 -3.593 7.351
222 HB3 ARG 27 HB3 ARG 27 -16.840 -2.044 6.722
223 HG2 ARG 27 HG2 ARG 27 -19.111 -2.947 6.449
224 HG3 ARG 27 HG3 ARG 27 -18.581 -4.504 7.100
225 HD2 ARG 27 HD2 ARG 27 -17.904 -3.315 9.218
226 HD3 ARG 27 HD3 ARG 27 -18.640 -1.847 8.551
227 HE ARG 27 HE ARG 27 -20.182 -4.416 8.831
228 HH11 ARG 27 1HH1 ARG 27 -20.112 -0.960 9.762
229 HH12 ARG 27 2HH1 ARG 27 -21.797 -1.078 10.217
230 HH21 ARG 27 1HH2 ARG 27 -22.189 -4.354 9.429
231 HH22 ARG 27 2HH2 ARG 27 -22.889 -2.909 10.147
232 H GLY 28 H GLY 28 -14.397 -4.495 5.849
233 HA2 GLY 28 HA2 GLY 28 -12.259 -4.460 4.877
234 HA3 GLY 28 HA3 GLY 28 -13.064 -3.998 3.392
235 H ILE 29 H ILE 29 -12.473 -2.137 2.532
236 HA ILE 29 HA ILE 29 -11.027 0.038 3.458
237 HB ILE 29 HB ILE 29 -13.445 0.045 1.622
238 HG12 ILE 29 2HG1 ILE 29 -10.520 0.079 0.800
239 HG13 ILE 29 3HG1 ILE 29 -11.393 -1.417 0.980
240 HG21 ILE 29 1HG2 ILE 29 -11.258 2.156 1.900
241 HG22 ILE 29 2HG2 ILE 29 -12.528 2.140 0.669
242 HG23 ILE 29 3HG2 ILE 29 -12.967 2.356 2.350
243 HD11 ILE 29 3HD1 ILE 29 -13.084 -0.659 -0.688
244 HD12 ILE 29 1HD1 ILE 29 -12.068 0.763 -1.013
245 HD13 ILE 29 2HD1 ILE 29 -11.460 -0.859 -1.341
246 H LYS 30 H LYS 30 -11.353 1.839 4.662
247 HA LYS 30 HA LYS 30 -13.904 1.993 6.217
248 HB2 LYS 30 HB2 LYS 30 -12.173 0.551 7.274
249 HB3 LYS 30 HB3 LYS 30 -11.097 1.940 7.386
250 HG2 LYS 30 HG2 LYS 30 -12.640 3.056 8.917
251 HG3 LYS 30 HG3 LYS 30 -13.885 1.825 8.636
252 HD2 LYS 30 HD2 LYS 30 -12.452 0.082 9.632
253 HD3 LYS 30 HD3 LYS 30 -11.139 1.253 9.834
254 HE2 LYS 30 HE2 LYS 30 -12.131 1.002 11.954
255 HE3 LYS 30 HE3 LYS 30 -12.613 2.582 11.382
256 HZ1 LYS 30 HZ1 LYS 30 -14.421 1.224 12.399
257 HZ2 LYS 30 HZ2 LYS 30 -14.813 1.718 10.899
258 HZ3 LYS 30 HZ3 LYS 30 -14.311 0.143 11.209
Start of MODEL 2
1 H1 MET 1 H1 MET 1 16.229 10.212 -5.338
2 H2 MET 1 H2 MET 1 16.693 8.948 -4.400
3 H3 MET 1 H3 MET 1 17.575 10.312 -4.367
4 HA MET 1 HA MET 1 16.293 10.152 -2.397
5 HB2 MET 1 HB2 MET 1 15.294 12.319 -4.285
6 HB3 MET 1 HB3 MET 1 15.016 12.302 -2.542
7 HG2 MET 1 HG2 MET 1 17.415 12.384 -2.104
8 HG3 MET 1 HG3 MET 1 17.770 12.340 -3.832
9 HE1 MET 1 HE1 MET 1 16.888 15.837 -5.144
10 HE2 MET 1 HE2 MET 1 17.705 14.292 -5.453
11 HE3 MET 1 HE3 MET 1 15.934 14.351 -5.300
12 H ARG 2 H ARG 2 14.515 9.331 -1.407
13 HA ARG 2 HA ARG 2 11.919 9.095 -2.799
14 HB2 ARG 2 HB2 ARG 2 13.376 6.612 -1.784
15 HB3 ARG 2 HB3 ARG 2 11.703 6.667 -2.304
16 HG2 ARG 2 HG2 ARG 2 12.538 7.390 -4.610
17 HG3 ARG 2 HG3 ARG 2 14.171 7.055 -4.013
18 HD2 ARG 2 HD2 ARG 2 13.583 5.075 -5.082
19 HD3 ARG 2 HD3 ARG 2 13.284 4.707 -3.374
20 HE ARG 2 HE ARG 2 11.016 5.722 -5.001
21 HH11 ARG 2 1HH1 ARG 2 12.484 2.731 -3.778
22 HH12 ARG 2 2HH1 ARG 2 10.945 1.899 -3.931
23 HH21 ARG 2 1HH2 ARG 2 9.274 4.585 -5.253
24 HH22 ARG 2 2HH2 ARG 2 9.252 2.844 -4.959
25 H LYS 3 H LYS 3 10.209 8.961 -1.468
26 HA LYS 3 HA LYS 3 10.576 8.959 1.496
27 HB2 LYS 3 HB2 LYS 3 8.118 9.338 1.564
28 HB3 LYS 3 HB3 LYS 3 8.991 10.612 0.720
29 HG2 LYS 3 HG2 LYS 3 8.149 9.999 -1.381
30 HG3 LYS 3 HG3 LYS 3 7.854 8.338 -0.902
31 HD2 LYS 3 HD2 LYS 3 5.746 9.457 -1.233
32 HD3 LYS 3 HD3 LYS 3 5.949 8.963 0.438
33 HE2 LYS 3 HE2 LYS 3 4.946 11.098 0.495
34 HE3 LYS 3 HE3 LYS 3 6.619 11.345 0.995
35 HZ1 LYS 3 HZ1 LYS 3 7.103 12.212 -1.194
36 HZ2 LYS 3 HZ2 LYS 3 5.615 11.798 -1.770
37 HZ3 LYS 3 HZ3 LYS 3 5.756 12.978 -0.660
38 H HIS 4 H HIS 4 10.213 6.745 -0.911
39 HA HIS 4 HA HIS 4 8.761 4.725 0.721
40 HB2 HIS 4 HB2 HIS 4 9.555 4.622 -2.198
41 HB3 HIS 4 HB3 HIS 4 8.494 3.489 -1.359
42 HD2 HIS 4 HD2 HIS 4 6.495 5.529 0.083
43 HE1 HIS 4 HE1 HIS 4 5.772 7.107 -3.814
44 HE2 HIS 4 HE2 HIS 4 4.864 6.941 -1.450
45 H LEU 5 H LEU 5 9.484 2.599 0.876
46 HA LEU 5 HA LEU 5 12.191 1.800 0.255
47 HB2 LEU 5 HB2 LEU 5 13.022 1.521 2.466
48 HB3 LEU 5 HB3 LEU 5 12.646 3.197 2.225
49 HG LEU 5 HG LEU 5 10.519 1.540 3.562
50 HD11 LEU 5 1HD1 LEU 5 13.090 2.328 4.967
51 HD12 LEU 5 2HD1 LEU 5 11.627 1.701 5.753
52 HD13 LEU 5 3HD1 LEU 5 12.542 0.669 4.640
53 HD21 LEU 5 3HD2 LEU 5 11.731 4.271 4.193
54 HD22 LEU 5 1HD2 LEU 5 10.264 4.013 3.236
55 HD23 LEU 5 2HD2 LEU 5 10.293 3.563 4.949
56 H GLY 6 H GLY 6 12.071 -0.225 2.476
57 HA2 GLY 6 HA2 GLY 6 9.883 -2.042 1.584
58 HA3 GLY 6 HA3 GLY 6 11.576 -2.534 1.369
59 H GLY 7 H GLY 7 9.411 -1.138 3.818
60 HA2 GLY 7 HA2 GLY 7 10.358 -2.756 6.036
61 HA3 GLY 7 HA3 GLY 7 11.008 -1.118 6.049
62 H CYS 8 H CYS 8 9.841 -0.155 7.730
63 HA CYS 8 HA CYS 8 7.159 -0.423 8.411
64 HB2 CYS 8 HB2 CYS 8 9.044 1.972 8.559
65 HB3 CYS 8 HB3 CYS 8 7.404 1.990 9.221
66 HG CYS 8 HG CYS 8 10.014 0.094 9.944
67 H TRP 9 H TRP 9 8.336 1.378 5.600
68 HA TRP 9 HA TRP 9 6.073 2.970 5.031
69 HB2 TRP 9 HB2 TRP 9 7.985 3.409 3.762
70 HB3 TRP 9 HB3 TRP 9 8.323 1.719 3.535
71 HD1 TRP 9 HD1 TRP 9 7.686 0.545 1.537
72 HE1 TRP 9 HE1 TRP 9 6.143 0.909 -0.501
73 HE3 TRP 9 HE3 TRP 9 5.457 4.880 3.035
74 HZ2 TRP 9 HZ2 TRP 9 4.104 2.786 -1.291
75 HZ3 TRP 9 HZ3 TRP 9 3.594 5.847 1.724
76 HH2 TRP 9 HH2 TRP 9 2.884 4.787 -0.436
77 H LEU 10 H LEU 10 6.564 -0.517 4.541
78 HA LEU 10 HA LEU 10 4.363 -0.905 2.727
79 HB2 LEU 10 HB2 LEU 10 5.652 -2.902 4.615
80 HB3 LEU 10 HB3 LEU 10 4.675 -3.288 3.210
81 HG LEU 10 HG LEU 10 7.348 -1.839 3.084
82 HD11 LEU 10 1HD1 LEU 10 6.690 -4.755 2.558
83 HD12 LEU 10 2HD1 LEU 10 8.257 -3.969 2.276
84 HD13 LEU 10 3HD1 LEU 10 7.632 -4.124 3.928
85 HD21 LEU 10 3HD2 LEU 10 5.900 -1.394 1.121
86 HD22 LEU 10 1HD2 LEU 10 7.284 -2.409 0.687
87 HD23 LEU 10 2HD2 LEU 10 5.685 -3.142 0.903
88 H ALA 11 H ALA 11 4.430 -0.486 6.225
89 HA ALA 11 HA ALA 11 2.008 -1.834 6.879
90 HB1 ALA 11 HB1 ALA 11 2.125 -0.490 8.918
91 HB2 ALA 11 HB2 ALA 11 3.761 -1.030 8.479
92 HB3 ALA 11 HB3 ALA 11 3.260 0.641 8.154
93 H ILE 12 H ILE 12 2.566 1.285 5.326
94 HA ILE 12 HA ILE 12 -0.194 2.247 5.549
95 HB ILE 12 HB ILE 12 2.114 3.130 3.749
96 HG12 ILE 12 2HG1 ILE 12 1.747 5.209 5.459
97 HG13 ILE 12 3HG1 ILE 12 1.235 3.920 6.532
98 HG21 ILE 12 1HG2 ILE 12 -0.546 4.502 4.325
99 HG22 ILE 12 2HG2 ILE 12 0.802 5.177 3.387
100 HG23 ILE 12 3HG2 ILE 12 -0.064 3.776 2.776
101 HD11 ILE 12 3HD1 ILE 12 3.468 2.845 6.265
102 HD12 ILE 12 1HD1 ILE 12 3.917 4.089 5.071
103 HD13 ILE 12 2HD1 ILE 12 3.642 4.534 6.761
104 H VAL 13 H VAL 13 1.777 0.606 3.051
105 HA VAL 13 HA VAL 13 -0.276 0.555 1.049
106 HB VAL 13 HB VAL 13 2.035 -1.395 1.188
107 HG11 VAL 13 1HG1 VAL 13 1.912 -1.247 -1.269
108 HG12 VAL 13 2HG1 VAL 13 0.362 -1.766 -0.605
109 HG13 VAL 13 3HG1 VAL 13 0.568 -0.091 -1.153
110 HG21 VAL 13 3HG2 VAL 13 2.119 1.478 0.185
111 HG22 VAL 13 1HG2 VAL 13 3.065 0.799 1.527
112 HG23 VAL 13 2HG2 VAL 13 3.366 0.246 -0.115
113 H CYS 14 H CYS 14 0.757 -1.854 3.429
114 HA CYS 14 HA CYS 14 -0.746 -4.070 2.695
115 HB2 CYS 14 HB2 CYS 14 0.126 -2.951 5.369
116 HB3 CYS 14 HB3 CYS 14 -0.725 -4.480 5.261
117 HG CYS 14 HG CYS 14 2.104 -3.482 3.925
118 H VAL 15 H VAL 15 -1.863 -1.608 5.094
119 HA VAL 15 HA VAL 15 -4.456 -2.826 5.273
120 HB VAL 15 HB VAL 15 -3.404 -1.537 7.016
121 HG11 VAL 15 1HG1 VAL 15 -2.433 0.316 5.707
122 HG12 VAL 15 2HG1 VAL 15 -4.056 0.924 5.320
123 HG13 VAL 15 3HG1 VAL 15 -3.474 0.931 6.994
124 HG21 VAL 15 3HG2 VAL 15 -5.453 -0.355 7.765
125 HG22 VAL 15 1HG2 VAL 15 -6.072 -0.336 6.096
126 HG23 VAL 15 2HG2 VAL 15 -5.888 -1.880 6.967
127 H LEU 16 H LEU 16 -3.210 -0.443 3.020
128 HA LEU 16 HA LEU 16 -5.820 0.210 1.941
129 HB2 LEU 16 HB2 LEU 16 -3.989 1.793 1.878
130 HB3 LEU 16 HB3 LEU 16 -2.946 0.655 1.036
131 HG LEU 16 HG LEU 16 -4.295 0.852 -1.005
132 HD11 LEU 16 1HD1 LEU 16 -6.508 1.308 -0.014
133 HD12 LEU 16 2HD1 LEU 16 -5.928 2.868 0.600
134 HD13 LEU 16 3HD1 LEU 16 -6.068 2.584 -1.155
135 HD21 LEU 16 3HD2 LEU 16 -3.730 3.175 -1.546
136 HD22 LEU 16 1HD2 LEU 16 -3.529 3.544 0.186
137 HD23 LEU 16 2HD2 LEU 16 -2.428 2.407 -0.621
138 H LEU 17 H LEU 17 -3.730 -2.486 1.588
139 HA LEU 17 HA LEU 17 -4.992 -3.348 -0.950
140 HB2 LEU 17 HB2 LEU 17 -3.159 -4.405 -1.559
141 HB3 LEU 17 HB3 LEU 17 -2.464 -3.157 -0.561
142 HG LEU 17 HG LEU 17 -2.514 -4.993 1.311
143 HD11 LEU 17 1HD1 LEU 17 -3.748 -6.758 -0.008
144 HD12 LEU 17 2HD1 LEU 17 -2.433 -6.736 -1.192
145 HD13 LEU 17 3HD1 LEU 17 -2.135 -7.270 0.473
146 HD21 LEU 17 3HD2 LEU 17 -0.278 -5.733 0.652
147 HD22 LEU 17 1HD2 LEU 17 -0.576 -5.180 -1.009
148 HD23 LEU 17 2HD2 LEU 17 -0.476 -4.007 0.317
149 H PHE 18 H PHE 18 -4.506 -4.660 2.376
150 HA PHE 18 HA PHE 18 -5.961 -7.090 1.613
151 HB2 PHE 18 HB2 PHE 18 -5.665 -7.851 3.794
152 HB3 PHE 18 HB3 PHE 18 -4.157 -7.182 3.205
153 HD1 PHE 18 HD2 PHE 18 -7.111 -6.324 5.339
154 HD2 PHE 18 HD1 PHE 18 -2.903 -5.799 4.634
155 HE1 PHE 18 HE2 PHE 18 -6.899 -5.131 7.523
156 HE2 PHE 18 HE1 PHE 18 -2.669 -4.671 6.845
157 HZ PHE 18 HZ PHE 18 -4.672 -4.305 8.264
158 H SER 19 H SER 19 -6.821 -4.032 3.056
159 HA SER 19 HA SER 19 -9.463 -4.512 3.961
160 HB2 SER 19 HB2 SER 19 -8.100 -2.207 2.555
161 HB3 SER 19 HB3 SER 19 -9.799 -2.100 3.034
162 HG SER 19 HG SER 19 -7.551 -1.930 4.504
163 H GLN 20 H GLN 20 -8.229 -4.392 0.641
164 HA GLN 20 HA GLN 20 -10.822 -3.975 -0.612
165 HB2 GLN 20 HB2 GLN 20 -8.162 -4.821 -1.790
166 HB3 GLN 20 HB3 GLN 20 -9.516 -4.208 -2.680
167 HG2 GLN 20 HG2 GLN 20 -8.485 -2.427 -0.448
168 HG3 GLN 20 HG3 GLN 20 -7.362 -2.734 -1.753
169 HE21 GLN 20 2HE2 GLN 20 -8.789 -0.261 -0.770
170 HE22 GLN 20 1HE2 GLN 20 -9.341 0.415 -2.303
171 H LEU 21 H LEU 21 -8.604 -6.721 -0.335
172 HA LEU 21 HA LEU 21 -10.312 -8.881 -1.070
173 HB2 LEU 21 HB2 LEU 21 -8.087 -9.357 -0.704
174 HB3 LEU 21 HB3 LEU 21 -7.989 -8.524 0.826
175 HG LEU 21 HG LEU 21 -9.704 -11.018 0.611
176 HD11 LEU 21 1HD1 LEU 21 -6.708 -10.953 1.104
177 HD12 LEU 21 2HD1 LEU 21 -7.764 -12.380 1.205
178 HD13 LEU 21 3HD1 LEU 21 -7.507 -11.590 -0.352
179 HD21 LEU 21 3HD2 LEU 21 -8.806 -11.306 2.992
180 HD22 LEU 21 1HD2 LEU 21 -8.108 -9.680 2.862
181 HD23 LEU 21 2HD2 LEU 21 -9.860 -9.930 2.803
182 H SER 22 H SER 22 -10.105 -7.169 2.077
183 HA SER 22 HA SER 22 -11.912 -9.035 3.322
184 HB2 SER 22 HB2 SER 22 -10.995 -6.355 4.414
185 HB3 SER 22 HB3 SER 22 -11.600 -7.780 5.287
186 HG SER 22 HG SER 22 -9.173 -7.621 3.841
187 H SER 23 H SER 23 -12.491 -5.999 1.718
188 HA SER 23 HA SER 23 -14.694 -4.975 3.046
189 HB2 SER 23 HB2 SER 23 -13.182 -4.179 0.990
190 HB3 SER 23 HB3 SER 23 -14.554 -4.721 0.038
191 HG SER 23 HG SER 23 -15.816 -3.220 1.004
192 H VAL 24 H VAL 24 -14.792 -7.875 1.180
193 HA VAL 24 HA VAL 24 -17.547 -7.797 0.403
194 HB VAL 24 HB VAL 24 -17.114 -10.171 0.011
195 HG11 VAL 24 1HG1 VAL 24 -14.755 -8.499 -0.965
196 HG12 VAL 24 2HG1 VAL 24 -15.442 -9.925 -1.769
197 HG13 VAL 24 3HG1 VAL 24 -16.387 -8.430 -1.661
198 HG21 VAL 24 3HG2 VAL 24 -14.807 -11.106 0.215
199 HG22 VAL 24 1HG2 VAL 24 -14.422 -9.785 1.319
200 HG23 VAL 24 2HG2 VAL 24 -15.697 -10.963 1.716
201 H LYS 25 H LYS 25 -15.836 -9.018 3.221
202 HA LYS 25 HA LYS 25 -18.403 -9.856 4.414
203 HB2 LYS 25 HB2 LYS 25 -17.067 -11.375 5.796
204 HB3 LYS 25 HB3 LYS 25 -16.801 -11.670 4.080
205 HG2 LYS 25 HG2 LYS 25 -14.636 -10.493 4.152
206 HG3 LYS 25 HG3 LYS 25 -14.942 -9.979 5.815
207 HD2 LYS 25 HD2 LYS 25 -13.455 -11.778 5.991
208 HD3 LYS 25 HD3 LYS 25 -15.033 -12.395 6.474
209 HE2 LYS 25 HE2 LYS 25 -15.318 -13.528 4.335
210 HE3 LYS 25 HE3 LYS 25 -13.874 -12.738 3.678
211 HZ1 LYS 25 HZ1 LYS 25 -13.841 -14.695 5.920
212 HZ2 LYS 25 HZ2 LYS 25 -13.425 -15.013 4.382
213 HZ3 LYS 25 HZ3 LYS 25 -12.523 -13.960 5.264
214 H ALA 26 H ALA 26 -16.693 -7.168 4.400
215 HA ALA 26 HA ALA 26 -17.233 -6.394 7.201
216 HB1 ALA 26 HB1 ALA 26 -14.861 -6.026 7.778
217 HB2 ALA 26 HB2 ALA 26 -15.120 -7.720 7.364
218 HB3 ALA 26 HB3 ALA 26 -14.359 -6.631 6.188
219 H ARG 27 H ARG 27 -16.196 -4.147 7.684
220 HA ARG 27 HA ARG 27 -16.927 -2.100 5.870
221 HB2 ARG 27 HB2 ARG 27 -14.839 -2.157 8.093
222 HB3 ARG 27 HB3 ARG 27 -15.261 -0.705 7.202
223 HG2 ARG 27 HG2 ARG 27 -17.622 -0.923 7.933
224 HG3 ARG 27 HG3 ARG 27 -17.162 -2.298 8.948
225 HD2 ARG 27 HD2 ARG 27 -15.463 -0.860 10.106
226 HD3 ARG 27 HD3 ARG 27 -16.009 0.500 9.138
227 HE ARG 27 HE ARG 27 -18.043 0.619 10.295
228 HH11 ARG 27 1HH1 ARG 27 -16.080 -1.946 11.733
229 HH12 ARG 27 2HH1 ARG 27 -16.791 -1.672 13.312
230 HH21 ARG 27 1HH2 ARG 27 -18.898 0.853 12.323
231 HH22 ARG 27 2HH2 ARG 27 -18.235 -0.075 13.646
232 H GLY 28 H GLY 28 -13.676 -3.539 6.271
233 HA2 GLY 28 HA2 GLY 28 -11.836 -3.580 4.893
234 HA3 GLY 28 HA3 GLY 28 -13.024 -3.701 3.600
235 H ILE 29 H ILE 29 -13.186 -2.102 2.163
236 HA ILE 29 HA ILE 29 -11.090 -0.269 1.812
237 HB ILE 29 HB ILE 29 -13.812 -0.571 0.496
238 HG12 ILE 29 2HG1 ILE 29 -11.072 -1.359 -0.549
239 HG13 ILE 29 3HG1 ILE 29 -12.041 -2.450 0.366
240 HG21 ILE 29 1HG2 ILE 29 -11.474 1.135 -0.473
241 HG22 ILE 29 2HG2 ILE 29 -12.898 0.717 -1.443
242 HG23 ILE 29 3HG2 ILE 29 -13.102 1.702 -0.019
243 HD11 ILE 29 3HD1 ILE 29 -12.392 -2.975 -1.942
244 HD12 ILE 29 1HD1 ILE 29 -13.883 -2.236 -1.345
245 HD13 ILE 29 2HD1 ILE 29 -12.755 -1.303 -2.350
246 H LYS 30 H LYS 30 -10.940 1.945 1.873
247 HA LYS 30 HA LYS 30 -11.177 4.074 2.497
248 HB2 LYS 30 HB2 LYS 30 -13.188 3.828 1.012
249 HB3 LYS 30 HB3 LYS 30 -14.178 3.605 2.469
250 HG2 LYS 30 HG2 LYS 30 -13.299 5.880 3.229
251 HG3 LYS 30 HG3 LYS 30 -12.574 6.050 1.650
252 HD2 LYS 30 HD2 LYS 30 -14.641 7.179 1.419
253 HD3 LYS 30 HD3 LYS 30 -14.926 5.597 0.670
254 HE2 LYS 30 HE2 LYS 30 -16.848 6.079 2.006
255 HE3 LYS 30 HE3 LYS 30 -15.937 4.844 2.900
256 HZ1 LYS 30 HZ1 LYS 30 -16.635 6.658 4.388
257 HZ2 LYS 30 HZ2 LYS 30 -14.986 6.677 4.266
258 HZ3 LYS 30 HZ3 LYS 30 -15.890 7.754 3.440
Start of MODEL 3
1 H1 MET 1 H1 MET 1 15.964 12.882 -0.251
2 H2 MET 1 H2 MET 1 16.617 12.264 -1.640
3 H3 MET 1 H3 MET 1 17.561 12.518 -0.316
4 HA MET 1 HA MET 1 17.069 10.184 -0.605
5 HB2 MET 1 HB2 MET 1 17.589 10.795 1.613
6 HB3 MET 1 HB3 MET 1 16.086 11.672 1.825
7 HG2 MET 1 HG2 MET 1 16.007 9.685 3.147
8 HG3 MET 1 HG3 MET 1 14.803 9.596 1.881
9 HE1 MET 1 HE1 MET 1 17.933 8.091 3.541
10 HE2 MET 1 HE2 MET 1 18.621 7.009 2.310
11 HE3 MET 1 HE3 MET 1 18.722 8.767 2.099
12 H ARG 2 H ARG 2 15.666 8.602 -1.203
13 HA ARG 2 HA ARG 2 12.968 9.162 -2.110
14 HB2 ARG 2 HB2 ARG 2 14.418 6.604 -1.333
15 HB3 ARG 2 HB3 ARG 2 12.750 6.606 -1.888
16 HG2 ARG 2 HG2 ARG 2 13.366 7.529 -4.042
17 HG3 ARG 2 HG3 ARG 2 15.075 7.669 -3.548
18 HD2 ARG 2 HD2 ARG 2 15.238 5.255 -3.263
19 HD3 ARG 2 HD3 ARG 2 13.497 5.063 -3.563
20 HE ARG 2 HE ARG 2 15.185 6.251 -5.695
21 HH11 ARG 2 1HH1 ARG 2 13.726 3.270 -4.532
22 HH12 ARG 2 2HH1 ARG 2 13.860 2.532 -6.110
23 HH21 ARG 2 1HH2 ARG 2 15.091 5.293 -7.711
24 HH22 ARG 2 2HH2 ARG 2 14.342 3.742 -7.896
25 H LYS 3 H LYS 3 11.057 9.257 -1.026
26 HA LYS 3 HA LYS 3 11.017 9.030 1.878
27 HB2 LYS 3 HB2 LYS 3 8.803 9.501 -0.164
28 HB3 LYS 3 HB3 LYS 3 8.525 9.407 1.579
29 HG2 LYS 3 HG2 LYS 3 10.335 11.207 1.841
30 HG3 LYS 3 HG3 LYS 3 10.194 11.480 0.100
31 HD2 LYS 3 HD2 LYS 3 7.846 11.559 2.043
32 HD3 LYS 3 HD3 LYS 3 8.808 12.988 1.623
33 HE2 LYS 3 HE2 LYS 3 8.226 12.673 -0.773
34 HE3 LYS 3 HE3 LYS 3 7.202 11.292 -0.332
35 HZ1 LYS 3 HZ1 LYS 3 5.956 12.895 1.123
36 HZ2 LYS 3 HZ2 LYS 3 6.823 14.115 0.508
37 HZ3 LYS 3 HZ3 LYS 3 5.855 13.240 -0.505
38 H HIS 4 H HIS 4 10.813 6.661 -0.395
39 HA HIS 4 HA HIS 4 9.276 4.806 1.382
40 HB2 HIS 4 HB2 HIS 4 9.358 4.785 -1.646
41 HB3 HIS 4 HB3 HIS 4 8.311 3.831 -0.597
42 HD2 HIS 4 HD2 HIS 4 7.161 6.127 1.320
43 HE1 HIS 4 HE1 HIS 4 6.112 8.305 -2.177
44 HE2 HIS 4 HE2 HIS 4 5.709 8.054 0.343
45 H LEU 5 H LEU 5 9.741 2.502 1.050
46 HA LEU 5 HA LEU 5 12.352 1.679 0.123
47 HB2 LEU 5 HB2 LEU 5 13.384 1.197 2.236
48 HB3 LEU 5 HB3 LEU 5 13.108 2.899 2.091
49 HG LEU 5 HG LEU 5 11.052 1.281 3.608
50 HD11 LEU 5 1HD1 LEU 5 12.394 1.471 5.665
51 HD12 LEU 5 2HD1 LEU 5 13.196 0.441 4.471
52 HD13 LEU 5 3HD1 LEU 5 13.758 2.105 4.723
53 HD21 LEU 5 3HD2 LEU 5 10.710 3.737 3.328
54 HD22 LEU 5 1HD2 LEU 5 10.988 3.312 5.021
55 HD23 LEU 5 2HD2 LEU 5 12.293 4.033 4.065
56 H GLY 6 H GLY 6 12.230 -0.420 2.463
57 HA2 GLY 6 HA2 GLY 6 10.102 -2.206 1.426
58 HA3 GLY 6 HA3 GLY 6 11.798 -2.680 1.191
59 H GLY 7 H GLY 7 9.480 -1.611 3.666
60 HA2 GLY 7 HA2 GLY 7 10.484 -3.272 5.778
61 HA3 GLY 7 HA3 GLY 7 11.117 -1.633 5.914
62 H CYS 8 H CYS 8 9.895 -1.178 7.867
63 HA CYS 8 HA CYS 8 7.090 -1.339 8.133
64 HB2 CYS 8 HB2 CYS 8 9.136 0.559 9.280
65 HB3 CYS 8 HB3 CYS 8 7.430 0.667 9.694
66 HG CYS 8 HG CYS 8 7.175 -1.340 11.085
67 H TRP 9 H TRP 9 8.673 0.723 5.875
68 HA TRP 9 HA TRP 9 6.662 2.744 5.683
69 HB2 TRP 9 HB2 TRP 9 8.489 3.280 4.361
70 HB3 TRP 9 HB3 TRP 9 8.808 1.610 3.970
71 HD1 TRP 9 HD1 TRP 9 8.153 0.681 1.783
72 HE1 TRP 9 HE1 TRP 9 6.702 1.369 -0.216
73 HE3 TRP 9 HE3 TRP 9 5.939 4.802 3.831
74 HZ2 TRP 9 HZ2 TRP 9 4.554 3.241 -0.694
75 HZ3 TRP 9 HZ3 TRP 9 4.034 5.892 2.658
76 HH2 TRP 9 HH2 TRP 9 3.330 5.113 0.415
77 H LEU 10 H LEU 10 6.783 -0.618 4.492
78 HA LEU 10 HA LEU 10 4.342 -0.399 2.962
79 HB2 LEU 10 HB2 LEU 10 5.865 -2.796 4.041
80 HB3 LEU 10 HB3 LEU 10 4.444 -2.928 3.020
81 HG LEU 10 HG LEU 10 7.065 -1.625 2.214
82 HD11 LEU 10 1HD1 LEU 10 7.118 -4.101 2.336
83 HD12 LEU 10 2HD1 LEU 10 5.715 -4.188 1.256
84 HD13 LEU 10 3HD1 LEU 10 7.257 -3.527 0.671
85 HD21 LEU 10 3HD2 LEU 10 4.495 -2.059 0.621
86 HD22 LEU 10 1HD2 LEU 10 5.252 -0.495 1.014
87 HD23 LEU 10 2HD2 LEU 10 6.055 -1.610 -0.087
88 H ALA 11 H ALA 11 4.727 -0.415 6.392
89 HA ALA 11 HA ALA 11 2.259 -1.727 7.073
90 HB1 ALA 11 HB1 ALA 11 3.677 0.562 8.499
91 HB2 ALA 11 HB2 ALA 11 2.502 -0.568 9.193
92 HB3 ALA 11 HB3 ALA 11 4.088 -1.164 8.677
93 H ILE 12 H ILE 12 2.902 1.311 5.488
94 HA ILE 12 HA ILE 12 0.221 2.458 5.957
95 HB ILE 12 HB ILE 12 2.579 3.306 4.221
96 HG12 ILE 12 2HG1 ILE 12 2.273 5.341 5.919
97 HG13 ILE 12 3HG1 ILE 12 1.479 4.153 6.930
98 HG21 ILE 12 1HG2 ILE 12 -0.093 4.704 4.642
99 HG22 ILE 12 2HG2 ILE 12 1.331 5.422 3.863
100 HG23 ILE 12 3HG2 ILE 12 0.532 4.055 3.107
101 HD11 ILE 12 3HD1 ILE 12 4.341 3.984 5.870
102 HD12 ILE 12 1HD1 ILE 12 3.861 4.481 7.503
103 HD13 ILE 12 2HD1 ILE 12 3.587 2.819 6.987
104 H VAL 13 H VAL 13 1.899 0.667 3.392
105 HA VAL 13 HA VAL 13 -0.355 0.734 1.543
106 HB VAL 13 HB VAL 13 2.045 -1.106 1.406
107 HG11 VAL 13 1HG1 VAL 13 0.242 0.079 -0.754
108 HG12 VAL 13 2HG1 VAL 13 1.645 -0.973 -1.031
109 HG13 VAL 13 3HG1 VAL 13 0.228 -1.609 -0.200
110 HG21 VAL 13 3HG2 VAL 13 3.115 0.616 -0.044
111 HG22 VAL 13 1HG2 VAL 13 1.840 1.765 0.406
112 HG23 VAL 13 2HG2 VAL 13 2.976 1.153 1.627
113 H CYS 14 H CYS 14 0.874 -1.608 3.889
114 HA CYS 14 HA CYS 14 -0.475 -3.921 3.247
115 HB2 CYS 14 HB2 CYS 14 0.359 -2.665 5.861
116 HB3 CYS 14 HB3 CYS 14 -0.527 -4.177 5.867
117 HG CYS 14 HG CYS 14 2.307 -3.332 4.444
118 H VAL 15 H VAL 15 -1.838 -1.358 5.330
119 HA VAL 15 HA VAL 15 -4.306 -2.754 5.752
120 HB VAL 15 HB VAL 15 -3.396 -1.220 7.280
121 HG11 VAL 15 1HG1 VAL 15 -3.858 0.993 5.238
122 HG12 VAL 15 2HG1 VAL 15 -3.426 1.245 6.943
123 HG13 VAL 15 3HG1 VAL 15 -2.292 0.434 5.872
124 HG21 VAL 15 3HG2 VAL 15 -6.010 -0.088 6.138
125 HG22 VAL 15 1HG2 VAL 15 -5.885 -1.500 7.212
126 HG23 VAL 15 2HG2 VAL 15 -5.433 0.107 7.808
127 H LEU 16 H LEU 16 -3.334 -0.536 3.204
128 HA LEU 16 HA LEU 16 -5.974 -0.393 1.977
129 HB2 LEU 16 HB2 LEU 16 -4.550 1.373 1.386
130 HB3 LEU 16 HB3 LEU 16 -3.132 0.354 1.324
131 HG LEU 16 HG LEU 16 -3.960 -0.633 -0.851
132 HD11 LEU 16 1HD1 LEU 16 -5.582 0.692 -2.142
133 HD12 LEU 16 2HD1 LEU 16 -6.346 0.047 -0.688
134 HD13 LEU 16 3HD1 LEU 16 -5.866 1.754 -0.741
135 HD21 LEU 16 3HD2 LEU 16 -3.441 2.359 -0.748
136 HD22 LEU 16 1HD2 LEU 16 -2.207 1.079 -0.721
137 HD23 LEU 16 2HD2 LEU 16 -3.215 1.290 -2.154
138 H LEU 17 H LEU 17 -3.293 -2.710 1.911
139 HA LEU 17 HA LEU 17 -4.410 -4.078 -0.420
140 HB2 LEU 17 HB2 LEU 17 -2.446 -4.924 -0.843
141 HB3 LEU 17 HB3 LEU 17 -1.924 -3.605 0.176
142 HG LEU 17 HG LEU 17 -1.971 -5.377 2.089
143 HD11 LEU 17 1HD1 LEU 17 -2.983 -7.294 0.873
144 HD12 LEU 17 2HD1 LEU 17 -1.707 -7.192 -0.356
145 HD13 LEU 17 3HD1 LEU 17 -1.322 -7.660 1.311
146 HD21 LEU 17 3HD2 LEU 17 0.063 -4.280 1.114
147 HD22 LEU 17 1HD2 LEU 17 0.359 -5.963 1.584
148 HD23 LEU 17 2HD2 LEU 17 0.117 -5.543 -0.125
149 H PHE 18 H PHE 18 -4.331 -4.807 3.092
150 HA PHE 18 HA PHE 18 -5.514 -7.430 2.553
151 HB2 PHE 18 HB2 PHE 18 -5.813 -7.744 4.915
152 HB3 PHE 18 HB3 PHE 18 -4.177 -7.481 4.388
153 HD1 PHE 18 HD2 PHE 18 -7.072 -5.732 5.962
154 HD2 PHE 18 HD1 PHE 18 -2.803 -5.886 5.474
155 HE1 PHE 18 HE2 PHE 18 -6.799 -4.208 7.920
156 HE2 PHE 18 HE1 PHE 18 -2.512 -4.467 7.512
157 HZ PHE 18 HZ PHE 18 -4.517 -3.623 8.721
158 H SER 19 H SER 19 -6.778 -4.334 3.630
159 HA SER 19 HA SER 19 -9.424 -4.961 4.228
160 HB2 SER 19 HB2 SER 19 -8.068 -2.558 2.991
161 HB3 SER 19 HB3 SER 19 -9.768 -2.525 3.502
162 HG SER 19 HG SER 19 -7.517 -2.349 4.944
163 H GLN 20 H GLN 20 -8.047 -5.343 1.191
164 HA GLN 20 HA GLN 20 -10.293 -4.930 -0.593
165 HB2 GLN 20 HB2 GLN 20 -7.763 -6.607 -0.771
166 HB3 GLN 20 HB3 GLN 20 -8.800 -6.196 -2.118
167 HG2 GLN 20 HG2 GLN 20 -7.435 -4.083 -0.351
168 HG3 GLN 20 HG3 GLN 20 -6.628 -4.777 -1.744
169 HE21 GLN 20 2HE2 GLN 20 -7.097 -2.077 -1.270
170 HE22 GLN 20 1HE2 GLN 20 -7.901 -1.568 -2.771
171 H LEU 21 H LEU 21 -8.852 -7.755 1.070
172 HA LEU 21 HA LEU 21 -10.698 -9.737 0.245
173 HB2 LEU 21 HB2 LEU 21 -9.334 -11.064 1.291
174 HB3 LEU 21 HB3 LEU 21 -8.357 -9.695 1.742
175 HG LEU 21 HG LEU 21 -10.564 -10.904 3.474
176 HD11 LEU 21 1HD1 LEU 21 -8.748 -12.500 3.124
177 HD12 LEU 21 2HD1 LEU 21 -7.553 -11.279 3.613
178 HD13 LEU 21 3HD1 LEU 21 -8.743 -11.889 4.784
179 HD21 LEU 21 3HD2 LEU 21 -9.717 -9.636 5.296
180 HD22 LEU 21 1HD2 LEU 21 -8.314 -9.086 4.359
181 HD23 LEU 21 2HD2 LEU 21 -9.930 -8.474 3.974
182 H SER 22 H SER 22 -11.150 -7.225 2.488
183 HA SER 22 HA SER 22 -13.597 -8.317 3.723
184 HB2 SER 22 HB2 SER 22 -12.050 -6.839 5.007
185 HB3 SER 22 HB3 SER 22 -12.182 -5.633 3.802
186 HG SER 22 HG SER 22 -13.513 -5.530 5.802
187 H SER 23 H SER 23 -12.673 -5.993 1.211
188 HA SER 23 HA SER 23 -14.989 -4.484 1.074
189 HB2 SER 23 HB2 SER 23 -13.991 -3.502 -0.877
190 HB3 SER 23 HB3 SER 23 -12.660 -4.042 0.135
191 HG SER 23 HG SER 23 -12.496 -5.921 -1.193
192 H VAL 24 H VAL 24 -14.778 -7.687 -0.221
193 HA VAL 24 HA VAL 24 -16.901 -7.328 -2.193
194 HB VAL 24 HB VAL 24 -16.520 -9.764 -2.439
195 HG11 VAL 24 1HG1 VAL 24 -13.967 -8.117 -2.614
196 HG12 VAL 24 2HG1 VAL 24 -14.360 -9.561 -3.571
197 HG13 VAL 24 3HG1 VAL 24 -15.297 -8.075 -3.793
198 HG21 VAL 24 3HG2 VAL 24 -15.693 -10.502 -0.274
199 HG22 VAL 24 1HG2 VAL 24 -14.524 -10.861 -1.528
200 HG23 VAL 24 2HG2 VAL 24 -14.235 -9.491 -0.454
201 H LYS 25 H LYS 25 -16.479 -8.808 0.992
202 HA LYS 25 HA LYS 25 -19.318 -9.563 1.125
203 HB2 LYS 25 HB2 LYS 25 -18.672 -10.872 3.093
204 HB3 LYS 25 HB3 LYS 25 -17.756 -11.289 1.654
205 HG2 LYS 25 HG2 LYS 25 -15.853 -9.827 2.490
206 HG3 LYS 25 HG3 LYS 25 -16.783 -9.597 3.989
207 HD2 LYS 25 HD2 LYS 25 -16.771 -12.096 4.303
208 HD3 LYS 25 HD3 LYS 25 -15.842 -12.250 2.812
209 HE2 LYS 25 HE2 LYS 25 -14.232 -12.357 4.519
210 HE3 LYS 25 HE3 LYS 25 -14.115 -10.703 3.850
211 HZ1 LYS 25 HZ1 LYS 25 -15.420 -9.920 5.732
212 HZ2 LYS 25 HZ2 LYS 25 -15.677 -11.412 6.274
213 HZ3 LYS 25 HZ3 LYS 25 -14.168 -10.761 6.364
214 H ALA 26 H ALA 26 -17.575 -6.927 1.796
215 HA ALA 26 HA ALA 26 -19.390 -5.730 3.777
216 HB1 ALA 26 HB1 ALA 26 -17.778 -5.591 5.540
217 HB2 ALA 26 HB2 ALA 26 -17.713 -7.276 5.021
218 HB3 ALA 26 HB3 ALA 26 -16.460 -6.143 4.477
219 H ARG 27 H ARG 27 -17.655 -3.704 4.681
220 HA ARG 27 HA ARG 27 -17.577 -1.948 2.305
221 HB2 ARG 27 HB2 ARG 27 -16.870 -1.365 5.214
222 HB3 ARG 27 HB3 ARG 27 -17.053 -0.183 3.908
223 HG2 ARG 27 HG2 ARG 27 -19.441 -0.952 3.635
224 HG3 ARG 27 HG3 ARG 27 -19.246 -1.934 5.097
225 HD2 ARG 27 HD2 ARG 27 -18.895 1.083 4.908
226 HD3 ARG 27 HD3 ARG 27 -20.333 0.277 5.510
227 HE ARG 27 HE ARG 27 -17.846 0.749 6.927
228 HH11 ARG 27 1HH1 ARG 27 -20.708 -1.337 7.009
229 HH12 ARG 27 2HH1 ARG 27 -20.514 -1.600 8.731
230 HH21 ARG 27 1HH2 ARG 27 -17.570 0.186 8.940
231 HH22 ARG 27 2HH2 ARG 27 -18.680 -0.888 9.781
232 H GLY 28 H GLY 28 -15.195 -3.284 4.628
233 HA2 GLY 28 HA2 GLY 28 -12.917 -3.748 4.350
234 HA3 GLY 28 HA3 GLY 28 -13.226 -3.666 2.617
235 H ILE 29 H ILE 29 -11.779 -2.391 1.706
236 HA ILE 29 HA ILE 29 -10.264 -0.314 2.801
237 HB ILE 29 HB ILE 29 -10.475 0.487 0.172
238 HG12 ILE 29 2HG1 ILE 29 -10.365 -1.480 -1.280
239 HG13 ILE 29 3HG1 ILE 29 -10.815 -2.545 0.018
240 HG21 ILE 29 1HG2 ILE 29 -8.448 -0.079 1.548
241 HG22 ILE 29 2HG2 ILE 29 -8.682 -1.776 1.050
242 HG23 ILE 29 3HG2 ILE 29 -8.403 -0.513 -0.155
243 HD11 ILE 29 3HD1 ILE 29 -12.659 -1.863 -1.614
244 HD12 ILE 29 1HD1 ILE 29 -13.075 -1.419 0.057
245 HD13 ILE 29 2HD1 ILE 29 -12.479 -0.192 -1.080
246 H LYS 30 H LYS 30 -10.206 1.954 2.554
247 HA LYS 30 HA LYS 30 -12.592 3.361 3.169
248 HB2 LYS 30 HB2 LYS 30 -10.331 4.109 3.798
249 HB3 LYS 30 HB3 LYS 30 -9.944 4.417 2.096
250 HG2 LYS 30 HG2 LYS 30 -11.658 6.172 1.974
251 HG3 LYS 30 HG3 LYS 30 -12.218 5.768 3.596
252 HD2 LYS 30 HD2 LYS 30 -10.945 7.772 3.719
253 HD3 LYS 30 HD3 LYS 30 -10.023 6.504 4.533
254 HE2 LYS 30 HE2 LYS 30 -8.541 6.275 2.615
255 HE3 LYS 30 HE3 LYS 30 -9.548 7.349 1.639
256 HZ1 LYS 30 HZ1 LYS 30 -8.936 9.195 3.058
257 HZ2 LYS 30 HZ2 LYS 30 -8.128 8.228 4.100
258 HZ3 LYS 30 HZ3 LYS 30 -7.551 8.446 2.589
Start of MODEL 4
1 H1 MET 1 H1 MET 1 17.479 12.194 -0.815
2 H2 MET 1 H2 MET 1 18.022 11.003 -1.819
3 H3 MET 1 H3 MET 1 18.926 11.472 -0.525
4 HA MET 1 HA MET 1 17.778 9.335 -0.194
5 HB2 MET 1 HB2 MET 1 18.543 10.721 1.695
6 HB3 MET 1 HB3 MET 1 17.028 11.624 1.655
7 HG2 MET 1 HG2 MET 1 15.779 9.547 2.214
8 HG3 MET 1 HG3 MET 1 17.314 8.671 2.262
9 HE1 MET 1 HE1 MET 1 16.285 12.327 3.725
10 HE2 MET 1 HE2 MET 1 14.920 11.193 3.876
11 HE3 MET 1 HE3 MET 1 15.765 11.767 5.325
12 H ARG 2 H ARG 2 15.915 8.186 -0.330
13 HA ARG 2 HA ARG 2 13.448 9.401 -1.422
14 HB2 ARG 2 HB2 ARG 2 14.310 6.546 -0.791
15 HB3 ARG 2 HB3 ARG 2 12.716 6.960 -1.419
16 HG2 ARG 2 HG2 ARG 2 13.556 7.664 -3.518
17 HG3 ARG 2 HG3 ARG 2 15.205 7.821 -2.916
18 HD2 ARG 2 HD2 ARG 2 15.064 5.865 -4.320
19 HD3 ARG 2 HD3 ARG 2 15.412 5.409 -2.647
20 HE ARG 2 HE ARG 2 12.606 5.292 -3.684
21 HH11 ARG 2 1HH1 ARG 2 15.419 3.370 -2.786
22 HH12 ARG 2 2HH1 ARG 2 14.461 1.925 -2.605
23 HH21 ARG 2 1HH2 ARG 2 11.539 3.471 -3.583
24 HH22 ARG 2 2HH2 ARG 2 12.280 1.978 -2.989
25 H LYS 3 H LYS 3 11.460 9.344 -0.467
26 HA LYS 3 HA LYS 3 11.221 9.116 2.471
27 HB2 LYS 3 HB2 LYS 3 10.149 10.973 1.278
28 HB3 LYS 3 HB3 LYS 3 9.270 9.842 0.244
29 HG2 LYS 3 HG2 LYS 3 8.031 9.043 2.284
30 HG3 LYS 3 HG3 LYS 3 8.852 10.290 3.232
31 HD2 LYS 3 HD2 LYS 3 7.049 10.729 0.805
32 HD3 LYS 3 HD3 LYS 3 6.535 10.894 2.474
33 HE2 LYS 3 HE2 LYS 3 8.634 12.644 1.101
34 HE3 LYS 3 HE3 LYS 3 6.933 13.053 1.341
35 HZ1 LYS 3 HZ1 LYS 3 8.976 12.719 3.465
36 HZ2 LYS 3 HZ2 LYS 3 8.084 14.055 3.148
37 HZ3 LYS 3 HZ3 LYS 3 7.398 12.714 3.797
38 H HIS 4 H HIS 4 10.879 7.184 -0.239
39 HA HIS 4 HA HIS 4 9.270 5.104 1.175
40 HB2 HIS 4 HB2 HIS 4 9.792 5.437 -1.793
41 HB3 HIS 4 HB3 HIS 4 8.771 4.205 -1.048
42 HD2 HIS 4 HD2 HIS 4 6.771 5.549 0.746
43 HE1 HIS 4 HE1 HIS 4 6.144 8.554 -2.221
44 HE2 HIS 4 HE2 HIS 4 5.144 7.413 -0.190
45 H LEU 5 H LEU 5 9.728 2.916 0.919
46 HA LEU 5 HA LEU 5 12.280 1.848 0.164
47 HB2 LEU 5 HB2 LEU 5 13.153 1.349 2.361
48 HB3 LEU 5 HB3 LEU 5 13.108 3.061 2.078
49 HG LEU 5 HG LEU 5 11.021 1.644 3.793
50 HD11 LEU 5 1HD1 LEU 5 13.662 2.949 4.536
51 HD12 LEU 5 2HD1 LEU 5 12.417 2.473 5.692
52 HD13 LEU 5 3HD1 LEU 5 13.223 1.232 4.721
53 HD21 LEU 5 3HD2 LEU 5 10.280 3.909 3.185
54 HD22 LEU 5 1HD2 LEU 5 10.826 3.916 4.853
55 HD23 LEU 5 2HD2 LEU 5 11.882 4.570 3.587
56 H GLY 6 H GLY 6 11.830 -0.206 2.548
57 HA2 GLY 6 HA2 GLY 6 9.394 -1.561 1.434
58 HA3 GLY 6 HA3 GLY 6 10.985 -2.318 1.430
59 H GLY 7 H GLY 7 11.014 -0.733 4.304
60 HA2 GLY 7 HA2 GLY 7 10.365 -3.162 5.801
61 HA3 GLY 7 HA3 GLY 7 11.167 -1.725 6.408
62 H CYS 8 H CYS 8 10.038 -0.725 7.957
63 HA CYS 8 HA CYS 8 7.321 -1.043 8.621
64 HB2 CYS 8 HB2 CYS 8 9.461 0.995 9.226
65 HB3 CYS 8 HB3 CYS 8 7.795 1.335 9.680
66 HG CYS 8 HG CYS 8 9.200 0.338 11.710
67 H TRP 9 H TRP 9 8.642 1.156 6.154
68 HA TRP 9 HA TRP 9 6.383 2.774 5.669
69 HB2 TRP 9 HB2 TRP 9 8.157 3.438 4.473
70 HB3 TRP 9 HB3 TRP 9 8.703 1.803 4.141
71 HD1 TRP 9 HD1 TRP 9 8.057 0.649 2.033
72 HE1 TRP 9 HE1 TRP 9 6.722 1.270 -0.116
73 HE3 TRP 9 HE3 TRP 9 5.613 4.749 3.800
74 HZ2 TRP 9 HZ2 TRP 9 4.526 3.010 -0.740
75 HZ3 TRP 9 HZ3 TRP 9 3.715 5.709 2.515
76 HH2 TRP 9 HH2 TRP 9 3.165 4.848 0.255
77 H LEU 10 H LEU 10 6.934 -0.645 4.704
78 HA LEU 10 HA LEU 10 4.811 -0.702 2.822
79 HB2 LEU 10 HB2 LEU 10 6.970 -1.982 2.938
80 HB3 LEU 10 HB3 LEU 10 6.287 -2.940 4.250
81 HG LEU 10 HG LEU 10 4.415 -3.525 2.663
82 HD11 LEU 10 1HD1 LEU 10 6.390 -2.505 0.578
83 HD12 LEU 10 2HD1 LEU 10 4.924 -3.442 0.232
84 HD13 LEU 10 3HD1 LEU 10 4.785 -1.816 0.913
85 HD21 LEU 10 3HD2 LEU 10 6.194 -5.119 3.251
86 HD22 LEU 10 1HD2 LEU 10 5.718 -5.325 1.560
87 HD23 LEU 10 2HD2 LEU 10 7.223 -4.465 1.957
88 H ALA 11 H ALA 11 4.823 -1.001 6.286
89 HA ALA 11 HA ALA 11 2.427 -2.466 6.738
90 HB1 ALA 11 HB1 ALA 11 2.415 -1.297 8.880
91 HB2 ALA 11 HB2 ALA 11 4.095 -1.714 8.472
92 HB3 ALA 11 HB3 ALA 11 3.502 -0.049 8.256
93 H ILE 12 H ILE 12 2.948 0.746 5.392
94 HA ILE 12 HA ILE 12 0.166 1.648 5.856
95 HB ILE 12 HB ILE 12 2.491 2.889 4.324
96 HG12 ILE 12 2HG1 ILE 12 1.876 4.674 6.261
97 HG13 ILE 12 3HG1 ILE 12 1.288 3.241 7.089
98 HG21 ILE 12 1HG2 ILE 12 -0.314 3.976 4.779
99 HG22 ILE 12 2HG2 ILE 12 1.071 4.918 4.173
100 HG23 ILE 12 3HG2 ILE 12 0.447 3.590 3.215
101 HD11 ILE 12 3HD1 ILE 12 3.614 3.838 7.700
102 HD12 ILE 12 1HD1 ILE 12 3.584 2.253 6.916
103 HD13 ILE 12 2HD1 ILE 12 4.112 3.689 6.006
104 H VAL 13 H VAL 13 2.066 0.289 3.181
105 HA VAL 13 HA VAL 13 -0.131 0.322 1.282
106 HB VAL 13 HB VAL 13 2.282 -1.494 1.149
107 HG11 VAL 13 1HG1 VAL 13 1.964 -1.235 -1.290
108 HG12 VAL 13 2HG1 VAL 13 0.520 -1.906 -0.534
109 HG13 VAL 13 3HG1 VAL 13 0.555 -0.191 -1.005
110 HG21 VAL 13 3HG2 VAL 13 2.124 1.432 0.299
111 HG22 VAL 13 1HG2 VAL 13 3.215 0.743 1.516
112 HG23 VAL 13 2HG2 VAL 13 3.410 0.301 -0.176
113 H CYS 14 H CYS 14 1.026 -2.024 3.651
114 HA CYS 14 HA CYS 14 -0.420 -4.302 2.928
115 HB2 CYS 14 HB2 CYS 14 0.467 -3.170 5.594
116 HB3 CYS 14 HB3 CYS 14 -0.423 -4.680 5.512
117 HG CYS 14 HG CYS 14 2.411 -3.731 4.160
118 H VAL 15 H VAL 15 -1.630 -1.741 5.145
119 HA VAL 15 HA VAL 15 -4.105 -3.125 5.547
120 HB VAL 15 HB VAL 15 -3.120 -1.662 7.103
121 HG11 VAL 15 1HG1 VAL 15 -3.297 0.815 6.895
122 HG12 VAL 15 2HG1 VAL 15 -2.209 0.116 5.695
123 HG13 VAL 15 3HG1 VAL 15 -3.850 0.631 5.224
124 HG21 VAL 15 3HG2 VAL 15 -5.830 -0.555 6.161
125 HG22 VAL 15 1HG2 VAL 15 -5.621 -2.017 7.150
126 HG23 VAL 15 2HG2 VAL 15 -5.186 -0.433 7.809
127 H LEU 16 H LEU 16 -3.167 -0.789 3.107
128 HA LEU 16 HA LEU 16 -5.823 -0.386 1.959
129 HB2 LEU 16 HB2 LEU 16 -4.198 1.168 1.275
130 HB3 LEU 16 HB3 LEU 16 -2.925 -0.026 1.170
131 HG LEU 16 HG LEU 16 -3.910 -0.943 -0.916
132 HD11 LEU 16 1HD1 LEU 16 -5.704 1.522 -0.825
133 HD12 LEU 16 2HD1 LEU 16 -5.599 0.330 -2.133
134 HD13 LEU 16 3HD1 LEU 16 -6.267 -0.138 -0.559
135 HD21 LEU 16 3HD2 LEU 16 -3.204 0.931 -2.339
136 HD22 LEU 16 1HD2 LEU 16 -3.274 2.028 -0.942
137 HD23 LEU 16 2HD2 LEU 16 -2.096 0.698 -0.974
138 H LEU 17 H LEU 17 -3.134 -2.749 1.523
139 HA LEU 17 HA LEU 17 -4.491 -3.966 -0.695
140 HB2 LEU 17 HB2 LEU 17 -2.652 -5.071 -1.191
141 HB3 LEU 17 HB3 LEU 17 -2.004 -3.756 -0.222
142 HG LEU 17 HG LEU 17 -2.060 -5.468 1.714
143 HD11 LEU 17 1HD1 LEU 17 -2.040 -7.392 -0.633
144 HD12 LEU 17 2HD1 LEU 17 -1.605 -7.791 1.042
145 HD13 LEU 17 3HD1 LEU 17 -3.272 -7.316 0.648
146 HD21 LEU 17 3HD2 LEU 17 -0.011 -4.547 0.645
147 HD22 LEU 17 1HD2 LEU 17 0.198 -6.250 1.099
148 HD23 LEU 17 2HD2 LEU 17 -0.111 -5.814 -0.596
149 H PHE 18 H PHE 18 -4.724 -4.682 2.720
150 HA PHE 18 HA PHE 18 -6.352 -7.067 2.030
151 HB2 PHE 18 HB2 PHE 18 -6.598 -7.530 4.380
152 HB3 PHE 18 HB3 PHE 18 -4.980 -7.657 3.717
153 HD1 PHE 18 HD1 PHE 18 -7.186 -5.383 5.658
154 HD2 PHE 18 HD2 PHE 18 -3.152 -6.585 4.810
155 HE1 PHE 18 HE1 PHE 18 -6.430 -4.281 7.762
156 HE2 PHE 18 HE2 PHE 18 -2.389 -5.511 6.924
157 HZ PHE 18 HZ PHE 18 -4.028 -4.375 8.411
158 H SER 19 H SER 19 -6.881 -3.806 3.266
159 HA SER 19 HA SER 19 -9.622 -4.032 3.961
160 HB2 SER 19 HB2 SER 19 -8.012 -1.792 2.694
161 HB3 SER 19 HB3 SER 19 -9.699 -1.597 3.237
162 HG SER 19 HG SER 19 -7.363 -2.017 4.678
163 H GLN 20 H GLN 20 -8.108 -3.650 0.794
164 HA GLN 20 HA GLN 20 -10.485 -3.338 -0.798
165 HB2 GLN 20 HB2 GLN 20 -7.721 -4.405 -1.461
166 HB3 GLN 20 HB3 GLN 20 -8.915 -3.938 -2.653
167 HG2 GLN 20 HG2 GLN 20 -8.106 -1.920 -0.522
168 HG3 GLN 20 HG3 GLN 20 -6.956 -2.293 -1.802
169 HE21 GLN 20 2HE2 GLN 20 -8.625 0.141 -0.926
170 HE22 GLN 20 1HE2 GLN 20 -9.140 0.705 -2.499
171 H LEU 21 H LEU 21 -8.520 -6.207 -0.041
172 HA LEU 21 HA LEU 21 -10.111 -8.236 -1.216
173 HB2 LEU 21 HB2 LEU 21 -8.127 -9.043 -0.692
174 HB3 LEU 21 HB3 LEU 21 -7.874 -8.002 0.677
175 HG LEU 21 HG LEU 21 -9.710 -10.409 0.906
176 HD11 LEU 21 1HD1 LEU 21 -6.696 -10.309 1.335
177 HD12 LEU 21 2HD1 LEU 21 -7.771 -11.664 1.754
178 HD13 LEU 21 3HD1 LEU 21 -7.548 -11.207 0.060
179 HD21 LEU 21 3HD2 LEU 21 -7.964 -8.931 2.942
180 HD22 LEU 21 1HD2 LEU 21 -9.701 -8.714 2.807
181 HD23 LEU 21 2HD2 LEU 21 -9.059 -10.287 3.280
182 H SER 22 H SER 22 -10.564 -6.615 1.880
183 HA SER 22 HA SER 22 -12.576 -8.471 2.843
184 HB2 SER 22 HB2 SER 22 -11.114 -7.131 4.359
185 HB3 SER 22 HB3 SER 22 -11.701 -5.710 3.659
186 HG SER 22 HG SER 22 -13.286 -7.645 5.090
187 H SER 23 H SER 23 -12.722 -5.376 1.126
188 HA SER 23 HA SER 23 -15.320 -4.632 1.878
189 HB2 SER 23 HB2 SER 23 -13.374 -3.284 0.812
190 HB3 SER 23 HB3 SER 23 -14.082 -3.761 -0.739
191 HG SER 23 HG SER 23 -15.313 -2.324 1.410
192 H VAL 24 H VAL 24 -14.659 -7.231 -0.215
193 HA VAL 24 HA VAL 24 -16.887 -6.991 -1.970
194 HB VAL 24 HB VAL 24 -16.362 -9.285 -2.472
195 HG11 VAL 24 1HG1 VAL 24 -14.939 -7.455 -3.425
196 HG12 VAL 24 2HG1 VAL 24 -13.744 -7.763 -2.144
197 HG13 VAL 24 3HG1 VAL 24 -14.102 -9.013 -3.351
198 HG21 VAL 24 3HG2 VAL 24 -15.826 -10.408 -0.457
199 HG22 VAL 24 1HG2 VAL 24 -14.392 -10.474 -1.461
200 HG23 VAL 24 2HG2 VAL 24 -14.459 -9.312 -0.129
201 H LYS 25 H LYS 25 -16.443 -8.710 1.080
202 HA LYS 25 HA LYS 25 -19.327 -9.386 1.041
203 HB2 LYS 25 HB2 LYS 25 -18.796 -11.223 2.537
204 HB3 LYS 25 HB3 LYS 25 -17.776 -11.290 1.103
205 HG2 LYS 25 HG2 LYS 25 -15.887 -10.296 2.377
206 HG3 LYS 25 HG3 LYS 25 -16.910 -10.209 3.824
207 HD2 LYS 25 HD2 LYS 25 -17.173 -12.689 3.775
208 HD3 LYS 25 HD3 LYS 25 -16.101 -12.756 2.358
209 HE2 LYS 25 HE2 LYS 25 -14.325 -11.586 3.721
210 HE3 LYS 25 HE3 LYS 25 -15.413 -11.653 5.112
211 HZ1 LYS 25 HZ1 LYS 25 -15.385 -14.136 4.816
212 HZ2 LYS 25 HZ2 LYS 25 -14.190 -13.948 3.700
213 HZ3 LYS 25 HZ3 LYS 25 -13.925 -13.490 5.245
214 H ALA 26 H ALA 26 -17.493 -7.044 2.198
215 HA ALA 26 HA ALA 26 -18.968 -6.541 4.735
216 HB1 ALA 26 HB1 ALA 26 -17.230 -8.252 5.289
217 HB2 ALA 26 HB2 ALA 26 -15.970 -7.155 4.683
218 HB3 ALA 26 HB3 ALA 26 -16.933 -6.726 6.107
219 H ARG 27 H ARG 27 -17.412 -4.631 5.932
220 HA ARG 27 HA ARG 27 -17.559 -2.327 4.175
221 HB2 ARG 27 HB2 ARG 27 -16.234 -2.581 6.899
222 HB3 ARG 27 HB3 ARG 27 -16.562 -1.083 6.033
223 HG2 ARG 27 HG2 ARG 27 -18.969 -1.474 6.147
224 HG3 ARG 27 HG3 ARG 27 -18.728 -3.035 6.930
225 HD2 ARG 27 HD2 ARG 27 -17.558 -1.907 8.821
226 HD3 ARG 27 HD3 ARG 27 -17.875 -0.344 8.057
227 HE ARG 27 HE ARG 27 -19.926 -2.259 9.137
228 HH11 ARG 27 1HH1 ARG 27 -18.982 1.117 8.768
229 HH12 ARG 27 2HH1 ARG 27 -20.614 1.676 9.064
230 HH21 ARG 27 1HH2 ARG 27 -21.882 -1.434 9.719
231 HH22 ARG 27 2HH2 ARG 27 -22.074 0.298 9.869
232 H GLY 28 H GLY 28 -14.696 -3.973 5.627
233 HA2 GLY 28 HA2 GLY 28 -12.491 -4.173 4.830
234 HA3 GLY 28 HA3 GLY 28 -13.176 -3.930 3.233
235 H ILE 29 H ILE 29 -12.609 -2.220 2.149
236 HA ILE 29 HA ILE 29 -10.968 -0.073 2.576
237 HB ILE 29 HB ILE 29 -13.534 -0.233 0.976
238 HG12 ILE 29 2HG1 ILE 29 -10.630 -0.429 0.064
239 HG13 ILE 29 3HG1 ILE 29 -11.596 -1.828 0.456
240 HG21 ILE 29 1HG2 ILE 29 -13.008 2.161 1.287
241 HG22 ILE 29 2HG2 ILE 29 -11.343 1.877 0.731
242 HG23 ILE 29 3HG2 ILE 29 -12.731 1.677 -0.364
243 HD11 ILE 29 3HD1 ILE 29 -11.655 -1.605 -1.914
244 HD12 ILE 29 1HD1 ILE 29 -13.263 -1.161 -1.312
245 HD13 ILE 29 2HD1 ILE 29 -12.112 0.097 -1.826
246 H LYS 30 H LYS 30 -10.866 1.693 3.750
247 HA LYS 30 HA LYS 30 -13.209 2.587 5.383
248 HB2 LYS 30 HB2 LYS 30 -11.056 1.712 6.493
249 HB3 LYS 30 HB3 LYS 30 -10.261 3.159 5.872
250 HG2 LYS 30 HG2 LYS 30 -12.152 4.476 7.111
251 HG3 LYS 30 HG3 LYS 30 -12.569 2.941 7.846
252 HD2 LYS 30 HD2 LYS 30 -11.190 4.053 9.422
253 HD3 LYS 30 HD3 LYS 30 -10.195 2.787 8.713
254 HE2 LYS 30 HE2 LYS 30 -8.849 4.777 8.923
255 HE3 LYS 30 HE3 LYS 30 -9.134 4.507 7.211
256 HZ1 LYS 30 HZ1 LYS 30 -9.454 6.838 7.858
257 HZ2 LYS 30 HZ2 LYS 30 -10.863 6.236 7.285
258 HZ3 LYS 30 HZ3 LYS 30 -10.643 6.439 8.897
Start of MODEL 5
1 H1 MET 1 H1 MET 1 10.634 15.916 -1.398
2 H2 MET 1 H2 MET 1 9.103 15.512 -0.960
3 H3 MET 1 H3 MET 1 9.779 14.872 -2.317
4 HA MET 1 HA MET 1 11.414 13.704 -1.049
5 HB2 MET 1 HB2 MET 1 11.816 15.123 0.748
6 HB3 MET 1 HB3 MET 1 10.141 15.134 1.256
7 HG2 MET 1 HG2 MET 1 11.609 13.800 2.743
8 HG3 MET 1 HG3 MET 1 10.223 12.890 2.081
9 HE1 MET 1 HE1 MET 1 13.787 13.724 0.382
10 HE2 MET 1 HE2 MET 1 14.116 13.396 2.092
11 HE3 MET 1 HE3 MET 1 14.663 12.260 0.844
12 H ARG 2 H ARG 2 10.756 11.797 -1.770
13 HA ARG 2 HA ARG 2 8.035 10.776 -1.153
14 HB2 ARG 2 HB2 ARG 2 8.952 10.579 -3.433
15 HB3 ARG 2 HB3 ARG 2 10.244 9.530 -2.829
16 HG2 ARG 2 HG2 ARG 2 8.566 7.856 -2.114
17 HG3 ARG 2 HG3 ARG 2 7.249 8.949 -2.580
18 HD2 ARG 2 HD2 ARG 2 7.996 8.874 -4.930
19 HD3 ARG 2 HD3 ARG 2 9.324 7.801 -4.502
20 HE ARG 2 HE ARG 2 6.410 7.149 -4.533
21 HH11 ARG 2 1HH1 ARG 2 9.613 5.839 -3.875
22 HH12 ARG 2 2HH1 ARG 2 9.121 4.234 -4.409
23 HH21 ARG 2 1HH2 ARG 2 5.832 5.034 -4.856
24 HH22 ARG 2 2HH2 ARG 2 7.030 3.773 -4.770
25 H LYS 3 H LYS 3 7.601 9.579 0.488
26 HA LYS 3 HA LYS 3 9.728 8.882 2.411
27 HB2 LYS 3 HB2 LYS 3 6.703 8.906 2.737
28 HB3 LYS 3 HB3 LYS 3 7.899 8.829 4.035
29 HG2 LYS 3 HG2 LYS 3 8.681 11.108 3.512
30 HG3 LYS 3 HG3 LYS 3 7.573 11.195 2.137
31 HD2 LYS 3 HD2 LYS 3 6.497 12.392 3.833
32 HD3 LYS 3 HD3 LYS 3 5.642 10.851 3.750
33 HE2 LYS 3 HE2 LYS 3 7.015 10.056 5.728
34 HE3 LYS 3 HE3 LYS 3 7.792 11.644 5.772
35 HZ1 LYS 3 HZ1 LYS 3 4.966 11.007 6.387
36 HZ2 LYS 3 HZ2 LYS 3 6.090 11.846 7.285
37 HZ3 LYS 3 HZ3 LYS 3 5.420 12.534 5.976
38 H HIS 4 H HIS 4 9.315 7.026 0.109
39 HA HIS 4 HA HIS 4 8.108 4.642 1.446
40 HB2 HIS 4 HB2 HIS 4 8.305 5.178 -1.516
41 HB3 HIS 4 HB3 HIS 4 7.416 3.878 -0.723
42 HD2 HIS 4 HD2 HIS 4 6.039 5.935 1.553
43 HE1 HIS 4 HE1 HIS 4 4.348 7.846 -1.861
44 HE2 HIS 4 HE2 HIS 4 4.237 7.658 0.655
45 H LEU 5 H LEU 5 9.032 2.736 1.466
46 HA LEU 5 HA LEU 5 11.624 2.087 0.292
47 HB2 LEU 5 HB2 LEU 5 12.793 1.879 2.406
48 HB3 LEU 5 HB3 LEU 5 12.386 3.535 2.057
49 HG LEU 5 HG LEU 5 10.673 1.893 3.964
50 HD11 LEU 5 1HD1 LEU 5 12.029 2.837 5.798
51 HD12 LEU 5 2HD1 LEU 5 12.966 1.748 4.789
52 HD13 LEU 5 3HD1 LEU 5 13.170 3.502 4.607
53 HD21 LEU 5 3HD2 LEU 5 11.227 4.884 3.679
54 HD22 LEU 5 1HD2 LEU 5 9.683 4.072 3.366
55 HD23 LEU 5 2HD2 LEU 5 10.301 4.157 5.004
56 H GLY 6 H GLY 6 11.775 0.101 2.834
57 HA2 GLY 6 HA2 GLY 6 9.687 -1.807 1.787
58 HA3 GLY 6 HA3 GLY 6 11.382 -2.245 1.934
59 H GLY 7 H GLY 7 11.207 -0.498 4.590
60 HA2 GLY 7 HA2 GLY 7 10.760 -2.724 6.376
61 HA3 GLY 7 HA3 GLY 7 11.218 -1.084 6.817
62 H CYS 8 H CYS 8 9.826 -0.664 8.442
63 HA CYS 8 HA CYS 8 7.089 -1.310 8.709
64 HB2 CYS 8 HB2 CYS 8 8.895 0.851 9.838
65 HB3 CYS 8 HB3 CYS 8 7.159 0.846 10.164
66 HG CYS 8 HG CYS 8 9.395 -1.578 10.679
67 H TRP 9 H TRP 9 8.394 1.077 6.523
68 HA TRP 9 HA TRP 9 6.059 2.657 6.115
69 HB2 TRP 9 HB2 TRP 9 7.820 3.459 4.892
70 HB3 TRP 9 HB3 TRP 9 8.443 1.864 4.553
71 HD1 TRP 9 HD1 TRP 9 7.925 0.715 2.432
72 HE1 TRP 9 HE1 TRP 9 6.489 1.143 0.333
73 HE3 TRP 9 HE3 TRP 9 5.113 4.558 4.216
74 HZ2 TRP 9 HZ2 TRP 9 4.167 2.709 -0.315
75 HZ3 TRP 9 HZ3 TRP 9 3.099 5.294 2.953
76 HH2 TRP 9 HH2 TRP 9 2.623 4.386 0.703
77 H LEU 10 H LEU 10 6.851 -0.649 4.961
78 HA LEU 10 HA LEU 10 4.746 -0.805 3.079
79 HB2 LEU 10 HB2 LEU 10 6.895 -1.867 3.034
80 HB3 LEU 10 HB3 LEU 10 6.536 -2.889 4.416
81 HG LEU 10 HG LEU 10 4.636 -2.983 2.110
82 HD11 LEU 10 1HD1 LEU 10 6.074 -4.569 0.850
83 HD12 LEU 10 2HD1 LEU 10 6.769 -2.944 0.914
84 HD13 LEU 10 3HD1 LEU 10 7.417 -4.218 1.971
85 HD21 LEU 10 3HD2 LEU 10 4.607 -5.390 2.625
86 HD22 LEU 10 1HD2 LEU 10 5.972 -5.190 3.747
87 HD23 LEU 10 2HD2 LEU 10 4.399 -4.476 4.129
88 H ALA 11 H ALA 11 4.642 -1.165 6.512
89 HA ALA 11 HA ALA 11 2.239 -2.713 6.787
90 HB1 ALA 11 HB1 ALA 11 3.293 -0.405 8.476
91 HB2 ALA 11 HB2 ALA 11 2.147 -1.658 8.980
92 HB3 ALA 11 HB3 ALA 11 3.827 -2.094 8.621
93 H ILE 12 H ILE 12 2.797 0.560 5.573
94 HA ILE 12 HA ILE 12 -0.031 1.385 5.873
95 HB ILE 12 HB ILE 12 2.338 2.716 4.498
96 HG12 ILE 12 2HG1 ILE 12 1.514 4.481 6.369
97 HG13 ILE 12 3HG1 ILE 12 0.905 3.036 7.160
98 HG21 ILE 12 1HG2 ILE 12 0.851 4.680 4.225
99 HG22 ILE 12 2HG2 ILE 12 0.347 3.323 3.244
100 HG23 ILE 12 3HG2 ILE 12 -0.531 3.699 4.750
101 HD11 ILE 12 3HD1 ILE 12 3.795 3.555 6.312
102 HD12 ILE 12 1HD1 ILE 12 3.145 3.720 7.952
103 HD13 ILE 12 2HD1 ILE 12 3.225 2.121 7.200
104 H VAL 13 H VAL 13 2.070 0.031 3.359
105 HA VAL 13 HA VAL 13 0.076 0.048 1.251
106 HB VAL 13 HB VAL 13 2.466 -1.806 1.525
107 HG11 VAL 13 1HG1 VAL 13 0.891 -2.512 -0.220
108 HG12 VAL 13 2HG1 VAL 13 0.874 -0.866 -0.892
109 HG13 VAL 13 3HG1 VAL 13 2.355 -1.847 -0.954
110 HG21 VAL 13 3HG2 VAL 13 3.687 -0.175 0.114
111 HG22 VAL 13 1HG2 VAL 13 2.323 0.953 0.249
112 HG23 VAL 13 2HG2 VAL 13 3.274 0.520 1.683
113 H CYS 14 H CYS 14 1.043 -2.376 3.695
114 HA CYS 14 HA CYS 14 -0.580 -4.531 2.986
115 HB2 CYS 14 HB2 CYS 14 0.223 -3.420 5.694
116 HB3 CYS 14 HB3 CYS 14 -0.670 -4.918 5.521
117 HG CYS 14 HG CYS 14 2.237 -4.012 4.328
118 H VAL 15 H VAL 15 -1.588 -1.872 5.178
119 HA VAL 15 HA VAL 15 -4.252 -2.917 5.414
120 HB VAL 15 HB VAL 15 -3.098 -1.701 7.075
121 HG11 VAL 15 1HG1 VAL 15 -3.523 0.794 5.371
122 HG12 VAL 15 2HG1 VAL 15 -2.980 0.787 7.066
123 HG13 VAL 15 3HG1 VAL 15 -1.975 0.047 5.818
124 HG21 VAL 15 3HG2 VAL 15 -5.648 -0.243 6.182
125 HG22 VAL 15 1HG2 VAL 15 -5.617 -1.802 7.036
126 HG23 VAL 15 2HG2 VAL 15 -5.038 -0.337 7.856
127 H LEU 16 H LEU 16 -2.900 -0.764 3.024
128 HA LEU 16 HA LEU 16 -5.536 -0.148 1.890
129 HB2 LEU 16 HB2 LEU 16 -3.859 1.309 1.187
130 HB3 LEU 16 HB3 LEU 16 -2.652 0.042 1.009
131 HG LEU 16 HG LEU 16 -3.781 -0.750 -1.052
132 HD11 LEU 16 1HD1 LEU 16 -5.477 0.690 -2.125
133 HD12 LEU 16 2HD1 LEU 16 -6.089 0.112 -0.569
134 HD13 LEU 16 3HD1 LEU 16 -5.483 1.772 -0.714
135 HD21 LEU 16 3HD2 LEU 16 -3.018 2.187 -0.962
136 HD22 LEU 16 1HD2 LEU 16 -1.913 0.815 -1.175
137 HD23 LEU 16 2HD2 LEU 16 -3.101 1.181 -2.440
138 H LEU 17 H LEU 17 -3.023 -2.684 1.443
139 HA LEU 17 HA LEU 17 -4.360 -3.698 -0.874
140 HB2 LEU 17 HB2 LEU 17 -2.587 -4.963 -1.306
141 HB3 LEU 17 HB3 LEU 17 -1.884 -3.746 -0.263
142 HG LEU 17 HG LEU 17 -2.243 -5.504 1.622
143 HD11 LEU 17 1HD1 LEU 17 -3.511 -7.238 0.376
144 HD12 LEU 17 2HD1 LEU 17 -2.217 -7.316 -0.833
145 HD13 LEU 17 3HD1 LEU 17 -1.928 -7.855 0.831
146 HD21 LEU 17 3HD2 LEU 17 -0.017 -6.458 1.136
147 HD22 LEU 17 1HD2 LEU 17 -0.155 -5.940 -0.555
148 HD23 LEU 17 2HD2 LEU 17 -0.046 -4.733 0.741
149 H PHE 18 H PHE 18 -4.580 -4.783 2.502
150 HA PHE 18 HA PHE 18 -6.140 -7.153 1.634
151 HB2 PHE 18 HB2 PHE 18 -6.257 -7.803 3.877
152 HB3 PHE 18 HB3 PHE 18 -4.607 -7.381 3.482
153 HD1 PHE 18 HD2 PHE 18 -7.687 -6.053 5.108
154 HD2 PHE 18 HD1 PHE 18 -3.391 -5.968 4.952
155 HE1 PHE 18 HE2 PHE 18 -7.634 -4.830 7.292
156 HE2 PHE 18 HE1 PHE 18 -3.327 -4.852 7.180
157 HZ PHE 18 HZ PHE 18 -5.448 -4.263 8.334
158 H SER 19 H SER 19 -6.776 -3.917 2.920
159 HA SER 19 HA SER 19 -9.521 -4.206 3.601
160 HB2 SER 19 HB2 SER 19 -7.884 -1.894 2.545
161 HB3 SER 19 HB3 SER 19 -9.580 -1.701 3.075
162 HG SER 19 HG SER 19 -7.282 -2.024 4.500
163 H GLN 20 H GLN 20 -8.000 -3.594 0.472
164 HA GLN 20 HA GLN 20 -10.390 -3.150 -1.068
165 HB2 GLN 20 HB2 GLN 20 -7.674 -4.183 -1.937
166 HB3 GLN 20 HB3 GLN 20 -8.899 -3.534 -3.011
167 HG2 GLN 20 HG2 GLN 20 -7.983 -1.795 -0.712
168 HG3 GLN 20 HG3 GLN 20 -6.816 -2.095 -1.992
169 HE21 GLN 20 2HE2 GLN 20 -8.563 0.218 -0.859
170 HE22 GLN 20 1HE2 GLN 20 -9.028 1.044 -2.324
171 H LEU 21 H LEU 21 -8.380 -6.053 -0.655
172 HA LEU 21 HA LEU 21 -10.040 -8.031 -1.823
173 HB2 LEU 21 HB2 LEU 21 -7.899 -8.658 -1.335
174 HB3 LEU 21 HB3 LEU 21 -7.868 -7.942 0.254
175 HG LEU 21 HG LEU 21 -9.532 -10.426 -0.287
176 HD11 LEU 21 1HD1 LEU 21 -7.617 -11.751 0.469
177 HD12 LEU 21 2HD1 LEU 21 -7.212 -10.861 -1.000
178 HD13 LEU 21 3HD1 LEU 21 -6.615 -10.286 0.576
179 HD21 LEU 21 3HD2 LEU 21 -8.979 -10.845 2.161
180 HD22 LEU 21 1HD2 LEU 21 -8.267 -9.224 2.240
181 HD23 LEU 21 2HD2 LEU 21 -9.998 -9.441 1.939
182 H SER 22 H SER 22 -10.310 -6.527 1.368
183 HA SER 22 HA SER 22 -12.199 -8.541 2.286
184 HB2 SER 22 HB2 SER 22 -11.307 -5.988 3.667
185 HB3 SER 22 HB3 SER 22 -12.080 -7.438 4.360
186 HG SER 22 HG SER 22 -9.501 -7.284 3.231
187 H SER 23 H SER 23 -12.551 -5.324 0.933
188 HA SER 23 HA SER 23 -14.924 -4.500 2.180
189 HB2 SER 23 HB2 SER 23 -13.288 -3.160 0.799
190 HB3 SER 23 HB3 SER 23 -14.051 -3.813 -0.646
191 HG SER 23 HG SER 23 -15.331 -2.310 1.431
192 H VAL 24 H VAL 24 -14.736 -7.112 -0.021
193 HA VAL 24 HA VAL 24 -17.461 -7.046 -0.978
194 HB VAL 24 HB VAL 24 -16.852 -9.295 -1.695
195 HG11 VAL 24 1HG1 VAL 24 -16.209 -7.278 -3.056
196 HG12 VAL 24 2HG1 VAL 24 -14.593 -7.349 -2.324
197 HG13 VAL 24 3HG1 VAL 24 -15.162 -8.678 -3.356
198 HG21 VAL 24 3HG2 VAL 24 -14.253 -8.931 -0.210
199 HG22 VAL 24 1HG2 VAL 24 -15.436 -10.254 -0.084
200 HG23 VAL 24 2HG2 VAL 24 -14.455 -10.079 -1.536
201 H LYS 25 H LYS 25 -15.765 -8.517 1.696
202 HA LYS 25 HA LYS 25 -18.250 -9.795 2.648
203 HB2 LYS 25 HB2 LYS 25 -16.829 -11.293 3.982
204 HB3 LYS 25 HB3 LYS 25 -16.516 -11.411 2.257
205 HG2 LYS 25 HG2 LYS 25 -14.446 -10.164 2.445
206 HG3 LYS 25 HG3 LYS 25 -14.783 -9.750 4.138
207 HD2 LYS 25 HD2 LYS 25 -14.608 -12.094 4.805
208 HD3 LYS 25 HD3 LYS 25 -14.375 -12.600 3.118
209 HE2 LYS 25 HE2 LYS 25 -12.258 -11.435 2.969
210 HE3 LYS 25 HE3 LYS 25 -12.531 -10.629 4.523
211 HZ1 LYS 25 HZ1 LYS 25 -12.153 -13.557 4.203
212 HZ2 LYS 25 HZ2 LYS 25 -11.006 -12.512 4.733
213 HZ3 LYS 25 HZ3 LYS 25 -12.376 -12.774 5.620
214 H ALA 26 H ALA 26 -16.857 -6.978 3.077
215 HA ALA 26 HA ALA 26 -17.751 -6.476 5.828
216 HB1 ALA 26 HB1 ALA 26 -15.463 -5.935 6.681
217 HB2 ALA 26 HB2 ALA 26 -15.574 -7.634 6.221
218 HB3 ALA 26 HB3 ALA 26 -14.762 -6.475 5.146
219 H ARG 27 H ARG 27 -16.802 -4.084 6.476
220 HA ARG 27 HA ARG 27 -17.416 -2.202 4.348
221 HB2 ARG 27 HB2 ARG 27 -15.747 -1.666 6.842
222 HB3 ARG 27 HB3 ARG 27 -16.457 -0.473 5.757
223 HG2 ARG 27 HG2 ARG 27 -18.750 -1.425 6.390
224 HG3 ARG 27 HG3 ARG 27 -17.904 -2.363 7.644
225 HD2 ARG 27 HD2 ARG 27 -16.898 -0.143 8.441
226 HD3 ARG 27 HD3 ARG 27 -18.010 0.660 7.312
227 HE ARG 27 HE ARG 27 -19.305 -1.205 9.153
228 HH11 ARG 27 1HH1 ARG 27 -18.285 2.156 8.862
229 HH12 ARG 27 2HH1 ARG 27 -19.215 2.632 10.249
230 HH21 ARG 27 1HH2 ARG 27 -20.546 -0.470 10.862
231 HH22 ARG 27 2HH2 ARG 27 -20.666 1.248 11.135
232 H GLY 28 H GLY 28 -14.232 -3.093 5.746
233 HA2 GLY 28 HA2 GLY 28 -12.186 -3.422 4.814
234 HA3 GLY 28 HA3 GLY 28 -12.944 -3.545 3.227
235 H ILE 29 H ILE 29 -12.975 -1.787 1.892
236 HA ILE 29 HA ILE 29 -10.953 0.109 1.903
237 HB ILE 29 HB ILE 29 -13.619 -0.142 0.481
238 HG12 ILE 29 2HG1 ILE 29 -10.790 -0.295 -0.603
239 HG13 ILE 29 3HG1 ILE 29 -11.561 -1.690 0.091
240 HG21 ILE 29 1HG2 ILE 29 -13.241 2.270 0.451
241 HG22 ILE 29 2HG2 ILE 29 -11.555 2.028 -0.072
242 HG23 ILE 29 3HG2 ILE 29 -12.911 1.606 -1.134
243 HD11 ILE 29 3HD1 ILE 29 -11.817 -1.820 -2.300
244 HD12 ILE 29 1HD1 ILE 29 -13.415 -1.485 -1.608
245 HD13 ILE 29 2HD1 ILE 29 -12.487 -0.189 -2.393
246 H LYS 30 H LYS 30 -10.750 2.220 2.358
247 HA LYS 30 HA LYS 30 -12.348 3.359 4.512
248 HB2 LYS 30 HB2 LYS 30 -9.908 4.318 2.976
249 HB3 LYS 30 HB3 LYS 30 -10.669 5.245 4.273
250 HG2 LYS 30 HG2 LYS 30 -10.246 3.449 5.881
251 HG3 LYS 30 HG3 LYS 30 -9.583 2.407 4.607
252 HD2 LYS 30 HD2 LYS 30 -7.771 4.012 4.188
253 HD3 LYS 30 HD3 LYS 30 -8.425 5.104 5.424
254 HE2 LYS 30 HE2 LYS 30 -8.061 3.393 7.157
255 HE3 LYS 30 HE3 LYS 30 -7.458 2.253 5.939
256 HZ1 LYS 30 HZ1 LYS 30 -5.698 3.545 7.188
257 HZ2 LYS 30 HZ2 LYS 30 -5.610 3.710 5.521
258 HZ3 LYS 30 HZ3 LYS 30 -6.231 4.899 6.434
Start of MODEL 6
1 H1 MET 1 H1 MET 1 15.512 11.433 4.216
2 H2 MET 1 H2 MET 1 16.825 10.698 3.578
3 H3 MET 1 H3 MET 1 16.683 10.845 5.215
4 HA MET 1 HA MET 1 16.205 8.621 4.619
5 HB2 MET 1 HB2 MET 1 14.901 9.569 6.474
6 HB3 MET 1 HB3 MET 1 13.669 10.126 5.341
7 HG2 MET 1 HG2 MET 1 13.060 8.006 6.492
8 HG3 MET 1 HG3 MET 1 13.086 7.865 4.741
9 HE1 MET 1 HE1 MET 1 16.189 7.774 7.312
10 HE2 MET 1 HE2 MET 1 14.831 6.950 8.115
11 HE3 MET 1 HE3 MET 1 16.256 6.022 7.591
12 H ARG 2 H ARG 2 15.815 7.276 3.002
13 HA ARG 2 HA ARG 2 14.909 7.930 0.435
14 HB2 ARG 2 HB2 ARG 2 16.191 5.898 1.163
15 HB3 ARG 2 HB3 ARG 2 14.698 5.220 1.830
16 HG2 ARG 2 HG2 ARG 2 13.683 5.260 -0.471
17 HG3 ARG 2 HG3 ARG 2 15.199 5.931 -1.086
18 HD2 ARG 2 HD2 ARG 2 14.804 3.204 0.196
19 HD3 ARG 2 HD3 ARG 2 15.012 3.532 -1.539
20 HE ARG 2 HE ARG 2 17.295 4.520 -0.828
21 HH11 ARG 2 1HH1 ARG 2 15.917 1.596 0.640
22 HH12 ARG 2 2HH1 ARG 2 17.503 1.115 1.199
23 HH21 ARG 2 1HH2 ARG 2 19.294 3.610 -0.171
24 HH22 ARG 2 2HH2 ARG 2 19.222 2.129 0.759
25 H LYS 3 H LYS 3 12.978 7.699 -0.723
26 HA LYS 3 HA LYS 3 10.461 7.854 0.825
27 HB2 LYS 3 HB2 LYS 3 11.181 9.512 -0.993
28 HB3 LYS 3 HB3 LYS 3 10.971 8.217 -2.156
29 HG2 LYS 3 HG2 LYS 3 9.036 9.627 -2.215
30 HG3 LYS 3 HG3 LYS 3 8.569 8.059 -1.570
31 HD2 LYS 3 HD2 LYS 3 7.477 9.898 -0.359
32 HD3 LYS 3 HD3 LYS 3 8.506 8.947 0.698
33 HE2 LYS 3 HE2 LYS 3 8.722 11.293 1.245
34 HE3 LYS 3 HE3 LYS 3 10.257 10.684 0.636
35 HZ1 LYS 3 HZ1 LYS 3 9.843 11.785 -1.456
36 HZ2 LYS 3 HZ2 LYS 3 8.319 12.251 -0.988
37 HZ3 LYS 3 HZ3 LYS 3 9.658 12.867 -0.259
38 H HIS 4 H HIS 4 9.093 6.216 0.997
39 HA HIS 4 HA HIS 4 8.038 4.231 0.768
40 HB2 HIS 4 HB2 HIS 4 8.557 4.737 -2.166
41 HB3 HIS 4 HB3 HIS 4 7.373 3.608 -1.497
42 HD2 HIS 4 HD2 HIS 4 6.363 5.778 0.868
43 HE1 HIS 4 HE1 HIS 4 4.586 7.573 -2.562
44 HE2 HIS 4 HE2 HIS 4 4.501 7.390 -0.024
45 H LEU 5 H LEU 5 10.165 3.597 1.820
46 HA LEU 5 HA LEU 5 11.864 1.649 0.552
47 HB2 LEU 5 HB2 LEU 5 12.815 1.430 2.759
48 HB3 LEU 5 HB3 LEU 5 12.634 3.110 2.337
49 HG LEU 5 HG LEU 5 10.414 1.870 3.967
50 HD11 LEU 5 1HD1 LEU 5 11.610 2.190 6.054
51 HD12 LEU 5 2HD1 LEU 5 12.462 1.006 5.058
52 HD13 LEU 5 3HD1 LEU 5 13.081 2.663 5.178
53 HD21 LEU 5 3HD2 LEU 5 10.480 4.069 5.117
54 HD22 LEU 5 1HD2 LEU 5 11.837 4.570 4.094
55 HD23 LEU 5 2HD2 LEU 5 10.231 4.276 3.392
56 H GLY 6 H GLY 6 11.591 -0.081 3.145
57 HA2 GLY 6 HA2 GLY 6 9.270 -1.804 2.383
58 HA3 GLY 6 HA3 GLY 6 10.907 -2.461 2.404
59 H GLY 7 H GLY 7 10.741 -0.234 4.868
60 HA2 GLY 7 HA2 GLY 7 10.425 -2.204 7.021
61 HA3 GLY 7 HA3 GLY 7 10.868 -0.505 7.148
62 H CYS 8 H CYS 8 9.412 0.152 8.693
63 HA CYS 8 HA CYS 8 6.699 -0.458 8.993
64 HB2 CYS 8 HB2 CYS 8 8.327 2.026 9.636
65 HB3 CYS 8 HB3 CYS 8 6.618 1.845 10.065
66 HG CYS 8 HG CYS 8 9.280 0.019 10.889
67 H TRP 9 H TRP 9 8.034 1.623 6.494
68 HA TRP 9 HA TRP 9 5.709 3.012 5.716
69 HB2 TRP 9 HB2 TRP 9 7.682 3.696 4.648
70 HB3 TRP 9 HB3 TRP 9 8.203 2.055 4.423
71 HD1 TRP 9 HD1 TRP 9 7.852 0.875 2.357
72 HE1 TRP 9 HE1 TRP 9 6.591 1.230 0.119
73 HE3 TRP 9 HE3 TRP 9 4.971 4.831 3.738
74 HZ2 TRP 9 HZ2 TRP 9 4.301 2.741 -0.736
75 HZ3 TRP 9 HZ3 TRP 9 3.063 5.521 2.302
76 HH2 TRP 9 HH2 TRP 9 2.738 4.516 0.062
77 H LEU 10 H LEU 10 6.683 -0.370 5.010
78 HA LEU 10 HA LEU 10 4.807 -0.750 2.917
79 HB2 LEU 10 HB2 LEU 10 7.000 -1.812 3.428
80 HB3 LEU 10 HB3 LEU 10 6.233 -2.845 4.620
81 HG LEU 10 HG LEU 10 5.119 -2.722 1.820
82 HD11 LEU 10 1HD1 LEU 10 7.522 -2.955 1.435
83 HD12 LEU 10 2HD1 LEU 10 7.608 -4.306 2.589
84 HD13 LEU 10 3HD1 LEU 10 6.704 -4.469 1.063
85 HD21 LEU 10 3HD2 LEU 10 5.547 -5.079 3.719
86 HD22 LEU 10 1HD2 LEU 10 4.027 -4.195 3.536
87 HD23 LEU 10 2HD2 LEU 10 4.666 -5.120 2.177
88 H ALA 11 H ALA 11 4.384 -0.874 6.360
89 HA ALA 11 HA ALA 11 1.975 -2.413 6.507
90 HB1 ALA 11 HB1 ALA 11 3.403 -1.815 8.430
91 HB2 ALA 11 HB2 ALA 11 2.991 -0.110 8.206
92 HB3 ALA 11 HB3 ALA 11 1.729 -1.268 8.665
93 H ILE 12 H ILE 12 2.569 0.785 5.167
94 HA ILE 12 HA ILE 12 -0.278 1.619 5.264
95 HB ILE 12 HB ILE 12 2.133 2.782 3.801
96 HG12 ILE 12 2HG1 ILE 12 1.273 4.774 5.398
97 HG13 ILE 12 3HG1 ILE 12 0.616 3.448 6.349
98 HG21 ILE 12 1HG2 ILE 12 0.153 3.214 2.421
99 HG22 ILE 12 2HG2 ILE 12 -0.718 3.827 3.852
100 HG23 ILE 12 3HG2 ILE 12 0.696 4.682 3.211
101 HD11 ILE 12 3HD1 ILE 12 2.842 4.172 7.113
102 HD12 ILE 12 1HD1 ILE 12 2.931 2.504 6.547
103 HD13 ILE 12 2HD1 ILE 12 3.531 3.837 5.526
104 H VAL 13 H VAL 13 1.974 0.187 2.935
105 HA VAL 13 HA VAL 13 0.093 -0.068 0.775
106 HB VAL 13 HB VAL 13 2.549 -1.790 1.184
107 HG11 VAL 13 1HG1 VAL 13 1.064 -2.462 -0.676
108 HG12 VAL 13 2HG1 VAL 13 1.113 -0.805 -1.323
109 HG13 VAL 13 3HG1 VAL 13 2.583 -1.802 -1.284
110 HG21 VAL 13 3HG2 VAL 13 2.399 1.016 -0.005
111 HG22 VAL 13 1HG2 VAL 13 3.311 0.536 1.436
112 HG23 VAL 13 2HG2 VAL 13 3.789 -0.082 -0.143
113 H CYS 14 H CYS 14 1.001 -2.205 3.448
114 HA CYS 14 HA CYS 14 -0.448 -4.522 2.854
115 HB2 CYS 14 HB2 CYS 14 0.028 -3.074 5.467
116 HB3 CYS 14 HB3 CYS 14 -0.762 -4.624 5.405
117 HG CYS 14 HG CYS 14 2.182 -3.738 4.276
118 H VAL 15 H VAL 15 -1.795 -1.754 4.791
119 HA VAL 15 HA VAL 15 -4.387 -3.008 4.828
120 HB VAL 15 HB VAL 15 -3.604 -1.520 6.527
121 HG11 VAL 15 1HG1 VAL 15 -3.971 0.741 4.505
122 HG12 VAL 15 2HG1 VAL 15 -3.698 0.949 6.243
123 HG13 VAL 15 3HG1 VAL 15 -2.441 0.212 5.245
124 HG21 VAL 15 3HG2 VAL 15 -6.108 -0.469 5.105
125 HG22 VAL 15 1HG2 VAL 15 -6.045 -1.890 6.180
126 HG23 VAL 15 2HG2 VAL 15 -5.725 -0.271 6.830
127 H LEU 16 H LEU 16 -2.889 -0.815 2.521
128 HA LEU 16 HA LEU 16 -5.299 -0.282 1.013
129 HB2 LEU 16 HB2 LEU 16 -3.360 1.199 0.938
130 HB3 LEU 16 HB3 LEU 16 -2.308 -0.115 0.432
131 HG LEU 16 HG LEU 16 -3.443 -0.233 -1.757
132 HD11 LEU 16 1HD1 LEU 16 -5.678 0.583 -1.093
133 HD12 LEU 16 2HD1 LEU 16 -4.993 2.187 -0.740
134 HD13 LEU 16 3HD1 LEU 16 -5.007 1.554 -2.406
135 HD21 LEU 16 3HD2 LEU 16 -2.597 1.893 -2.644
136 HD22 LEU 16 1HD2 LEU 16 -2.519 2.569 -1.002
137 HD23 LEU 16 2HD2 LEU 16 -1.468 1.211 -1.465
138 H LEU 17 H LEU 17 -3.160 -3.019 1.249
139 HA LEU 17 HA LEU 17 -4.309 -4.288 -1.149
140 HB2 LEU 17 HB2 LEU 17 -2.487 -5.437 -1.435
141 HB3 LEU 17 HB3 LEU 17 -1.809 -4.159 -0.469
142 HG LEU 17 HG LEU 17 -2.195 -5.791 1.536
143 HD11 LEU 17 1HD1 LEU 17 -1.941 -8.186 0.910
144 HD12 LEU 17 2HD1 LEU 17 -3.490 -7.562 0.348
145 HD13 LEU 17 3HD1 LEU 17 -2.155 -7.759 -0.798
146 HD21 LEU 17 3HD2 LEU 17 0.008 -5.094 0.634
147 HD22 LEU 17 1HD2 LEU 17 0.014 -6.788 1.146
148 HD23 LEU 17 2HD2 LEU 17 -0.091 -6.383 -0.577
149 H PHE 18 H PHE 18 -4.505 -4.767 2.419
150 HA PHE 18 HA PHE 18 -6.103 -7.207 1.873
151 HB2 PHE 18 HB2 PHE 18 -6.027 -7.746 4.144
152 HB3 PHE 18 HB3 PHE 18 -4.425 -7.461 3.504
153 HD1 PHE 18 HD1 PHE 18 -7.134 -5.907 5.528
154 HD2 PHE 18 HD2 PHE 18 -2.915 -6.106 4.745
155 HE1 PHE 18 HE1 PHE 18 -6.699 -4.589 7.588
156 HE2 PHE 18 HE2 PHE 18 -2.473 -4.829 6.847
157 HZ PHE 18 HZ PHE 18 -4.361 -4.056 8.254
158 H SER 19 H SER 19 -6.670 -3.954 3.295
159 HA SER 19 HA SER 19 -9.387 -4.702 4.037
160 HB2 SER 19 HB2 SER 19 -7.653 -2.337 4.301
161 HB3 SER 19 HB3 SER 19 -9.409 -2.019 4.218
162 HG SER 19 HG SER 19 -8.736 -2.497 6.382
163 H GLN 20 H GLN 20 -7.954 -3.629 1.127
164 HA GLN 20 HA GLN 20 -10.458 -2.953 -0.234
165 HB2 GLN 20 HB2 GLN 20 -7.640 -3.582 -1.181
166 HB3 GLN 20 HB3 GLN 20 -8.972 -3.136 -2.246
167 HG2 GLN 20 HG2 GLN 20 -8.107 -1.368 0.097
168 HG3 GLN 20 HG3 GLN 20 -7.396 -1.243 -1.507
169 HE21 GLN 20 2HE2 GLN 20 -8.672 0.949 -0.312
170 HE22 GLN 20 1HE2 GLN 20 -10.114 1.255 -1.288
171 H LEU 21 H LEU 21 -8.293 -5.836 -0.189
172 HA LEU 21 HA LEU 21 -9.886 -7.701 -1.580
173 HB2 LEU 21 HB2 LEU 21 -7.866 -8.540 -1.176
174 HB3 LEU 21 HB3 LEU 21 -7.641 -7.720 0.343
175 HG LEU 21 HG LEU 21 -9.371 -10.200 0.134
176 HD11 LEU 21 1HD1 LEU 21 -7.407 -11.470 0.901
177 HD12 LEU 21 2HD1 LEU 21 -7.130 -10.749 -0.681
178 HD13 LEU 21 3HD1 LEU 21 -6.395 -10.010 0.749
179 HD21 LEU 21 3HD2 LEU 21 -7.802 -9.030 2.490
180 HD22 LEU 21 1HD2 LEU 21 -9.529 -8.809 2.297
181 HD23 LEU 21 2HD2 LEU 21 -8.897 -10.435 2.524
182 H SER 22 H SER 22 -10.327 -6.539 1.686
183 HA SER 22 HA SER 22 -12.455 -8.382 2.397
184 HB2 SER 22 HB2 SER 22 -11.062 -7.309 4.126
185 HB3 SER 22 HB3 SER 22 -11.390 -5.773 3.470
186 HG SER 22 HG SER 22 -12.671 -7.049 5.377
187 H SER 23 H SER 23 -12.368 -5.039 1.220
188 HA SER 23 HA SER 23 -14.817 -4.147 1.871
189 HB2 SER 23 HB2 SER 23 -14.463 -2.355 0.275
190 HB3 SER 23 HB3 SER 23 -12.914 -2.839 0.959
191 HG SER 23 HG SER 23 -12.560 -4.097 -0.974
192 H VAL 24 H VAL 24 -14.525 -6.459 -0.678
193 HA VAL 24 HA VAL 24 -16.850 -5.618 -2.185
194 HB VAL 24 HB VAL 24 -16.282 -7.760 -3.363
195 HG11 VAL 24 1HG1 VAL 24 -14.231 -6.883 -4.437
196 HG12 VAL 24 2HG1 VAL 24 -15.344 -5.552 -4.063
197 HG13 VAL 24 3HG1 VAL 24 -13.930 -5.848 -3.022
198 HG21 VAL 24 3HG2 VAL 24 -14.150 -8.886 -3.043
199 HG22 VAL 24 1HG2 VAL 24 -13.825 -7.936 -1.591
200 HG23 VAL 24 2HG2 VAL 24 -15.183 -9.087 -1.638
201 H LYS 25 H LYS 25 -16.161 -7.981 0.253
202 HA LYS 25 HA LYS 25 -19.014 -8.765 0.242
203 HB2 LYS 25 HB2 LYS 25 -18.427 -11.046 0.846
204 HB3 LYS 25 HB3 LYS 25 -17.685 -10.585 -0.682
205 HG2 LYS 25 HG2 LYS 25 -15.507 -10.171 0.561
206 HG3 LYS 25 HG3 LYS 25 -16.296 -10.766 2.032
207 HD2 LYS 25 HD2 LYS 25 -16.832 -12.901 0.756
208 HD3 LYS 25 HD3 LYS 25 -15.814 -12.301 -0.563
209 HE2 LYS 25 HE2 LYS 25 -13.862 -12.247 0.942
210 HE3 LYS 25 HE3 LYS 25 -14.886 -12.711 2.313
211 HZ1 LYS 25 HZ1 LYS 25 -15.367 -14.806 1.177
212 HZ2 LYS 25 HZ2 LYS 25 -14.391 -14.399 -0.086
213 HZ3 LYS 25 HZ3 LYS 25 -13.770 -14.665 1.404
214 H ALA 26 H ALA 26 -17.051 -6.905 1.793
215 HA ALA 26 HA ALA 26 -18.143 -7.326 4.507
216 HB1 ALA 26 HB1 ALA 26 -16.266 -8.986 4.322
217 HB2 ALA 26 HB2 ALA 26 -15.171 -7.653 3.946
218 HB3 ALA 26 HB3 ALA 26 -15.939 -7.736 5.531
219 H ARG 27 H ARG 27 -16.872 -5.764 6.102
220 HA ARG 27 HA ARG 27 -17.379 -3.090 5.151
221 HB2 ARG 27 HB2 ARG 27 -16.038 -4.053 7.712
222 HB3 ARG 27 HB3 ARG 27 -16.522 -2.389 7.382
223 HG2 ARG 27 HG2 ARG 27 -18.865 -3.086 7.125
224 HG3 ARG 27 HG3 ARG 27 -18.432 -4.769 7.447
225 HD2 ARG 27 HD2 ARG 27 -17.678 -4.177 9.712
226 HD3 ARG 27 HD3 ARG 27 -18.011 -2.473 9.390
227 HE ARG 27 HE ARG 27 -20.363 -2.898 9.370
228 HH11 ARG 27 1HH1 ARG 27 -18.679 -5.841 10.505
229 HH12 ARG 27 2HH1 ARG 27 -20.234 -6.487 11.015
230 HH21 ARG 27 1HH2 ARG 27 -22.078 -3.782 10.079
231 HH22 ARG 27 2HH2 ARG 27 -22.063 -5.279 10.974
232 H GLY 28 H GLY 28 -14.256 -4.648 6.004
233 HA2 GLY 28 HA2 GLY 28 -12.131 -4.360 5.069
234 HA3 GLY 28 HA3 GLY 28 -12.977 -3.684 3.681
235 H ILE 29 H ILE 29 -11.912 -1.909 3.156
236 HA ILE 29 HA ILE 29 -10.609 -0.051 4.772
237 HB ILE 29 HB ILE 29 -11.313 1.582 2.744
238 HG12 ILE 29 2HG1 ILE 29 -11.454 0.395 0.617
239 HG13 ILE 29 3HG1 ILE 29 -11.511 -1.154 1.407
240 HG21 ILE 29 1HG2 ILE 29 -9.305 -0.677 2.442
241 HG22 ILE 29 2HG2 ILE 29 -9.276 0.919 1.687
242 HG23 ILE 29 3HG2 ILE 29 -9.051 0.789 3.423
243 HD11 ILE 29 3HD1 ILE 29 -13.730 -0.240 0.574
244 HD12 ILE 29 1HD1 ILE 29 -13.762 -0.608 2.305
245 HD13 ILE 29 2HD1 ILE 29 -13.591 1.072 1.752
246 H LYS 30 H LYS 30 -10.913 1.931 5.538
247 HA LYS 30 HA LYS 30 -13.583 2.457 6.661
248 HB2 LYS 30 HB2 LYS 30 -10.820 3.550 7.308
249 HB3 LYS 30 HB3 LYS 30 -12.305 4.014 8.161
250 HG2 LYS 30 HG2 LYS 30 -12.695 1.708 8.866
251 HG3 LYS 30 HG3 LYS 30 -11.301 1.138 7.937
252 HD2 LYS 30 HD2 LYS 30 -9.869 2.708 9.374
253 HD3 LYS 30 HD3 LYS 30 -11.282 2.860 10.436
254 HE2 LYS 30 HE2 LYS 30 -9.822 0.291 9.644
255 HE3 LYS 30 HE3 LYS 30 -9.725 1.104 11.211
256 HZ1 LYS 30 HZ1 LYS 30 -12.088 0.627 11.545
257 HZ2 LYS 30 HZ2 LYS 30 -12.184 -0.142 10.088
258 HZ3 LYS 30 HZ3 LYS 30 -11.259 -0.748 11.292
Start of MODEL 7
1 H1 MET 1 H1 MET 1 13.613 12.609 -5.875
2 H2 MET 1 H2 MET 1 15.024 13.344 -5.498
3 H3 MET 1 H3 MET 1 13.897 13.088 -4.315
4 HA MET 1 HA MET 1 15.332 10.959 -5.795
5 HB2 MET 1 HB2 MET 1 16.707 12.348 -4.142
6 HB3 MET 1 HB3 MET 1 15.630 11.746 -2.885
7 HG2 MET 1 HG2 MET 1 17.646 10.459 -2.862
8 HG3 MET 1 HG3 MET 1 16.339 9.411 -3.420
9 HE1 MET 1 HE1 MET 1 19.447 7.995 -5.330
10 HE2 MET 1 HE2 MET 1 19.394 8.638 -3.673
11 HE3 MET 1 HE3 MET 1 18.063 7.620 -4.281
12 H ARG 2 H ARG 2 14.788 8.809 -5.188
13 HA ARG 2 HA ARG 2 12.214 8.054 -4.767
14 HB2 ARG 2 HB2 ARG 2 14.021 6.553 -5.393
15 HB3 ARG 2 HB3 ARG 2 14.705 6.618 -3.760
16 HG2 ARG 2 HG2 ARG 2 12.521 5.600 -2.910
17 HG3 ARG 2 HG3 ARG 2 12.022 5.440 -4.593
18 HD2 ARG 2 HD2 ARG 2 14.427 4.130 -3.239
19 HD3 ARG 2 HD3 ARG 2 12.921 3.326 -3.686
20 HE ARG 2 HE ARG 2 15.196 3.872 -5.391
21 HH11 ARG 2 1HH1 ARG 2 11.658 3.478 -5.584
22 HH12 ARG 2 2HH1 ARG 2 11.784 2.973 -7.251
23 HH21 ARG 2 1HH2 ARG 2 15.150 3.318 -7.572
24 HH22 ARG 2 2HH2 ARG 2 13.601 3.224 -8.368
25 H LYS 3 H LYS 3 10.761 8.420 -3.313
26 HA LYS 3 HA LYS 3 11.434 9.547 -0.744
27 HB2 LYS 3 HB2 LYS 3 9.675 10.376 -2.210
28 HB3 LYS 3 HB3 LYS 3 8.774 8.873 -2.055
29 HG2 LYS 3 HG2 LYS 3 8.382 9.294 0.330
30 HG3 LYS 3 HG3 LYS 3 9.374 10.754 0.268
31 HD2 LYS 3 HD2 LYS 3 6.799 10.292 -1.285
32 HD3 LYS 3 HD3 LYS 3 6.936 11.203 0.217
33 HE2 LYS 3 HE2 LYS 3 8.453 12.826 -0.895
34 HE3 LYS 3 HE3 LYS 3 8.313 11.912 -2.407
35 HZ1 LYS 3 HZ1 LYS 3 6.783 13.743 -2.449
36 HZ2 LYS 3 HZ2 LYS 3 5.913 12.346 -2.338
37 HZ3 LYS 3 HZ3 LYS 3 6.093 13.276 -1.016
38 H HIS 4 H HIS 4 10.281 6.453 -1.580
39 HA HIS 4 HA HIS 4 9.775 5.738 1.264
40 HB2 HIS 4 HB2 HIS 4 8.744 4.344 -1.219
41 HB3 HIS 4 HB3 HIS 4 8.252 4.063 0.447
42 HD2 HIS 4 HD2 HIS 4 6.515 5.757 1.572
43 HE1 HIS 4 HE1 HIS 4 5.654 8.018 -1.937
44 HE2 HIS 4 HE2 HIS 4 4.924 7.528 0.462
45 H LEU 5 H LEU 5 9.831 3.280 1.623
46 HA LEU 5 HA LEU 5 12.572 2.261 1.120
47 HB2 LEU 5 HB2 LEU 5 13.067 2.288 3.466
48 HB3 LEU 5 HB3 LEU 5 12.834 3.888 2.812
49 HG LEU 5 HG LEU 5 10.755 2.433 4.470
50 HD11 LEU 5 1HD1 LEU 5 11.502 3.853 6.332
51 HD12 LEU 5 2HD1 LEU 5 12.880 2.925 5.729
52 HD13 LEU 5 3HD1 LEU 5 12.712 4.633 5.289
53 HD21 LEU 5 3HD2 LEU 5 10.956 5.344 3.578
54 HD22 LEU 5 1HD2 LEU 5 9.609 4.206 3.286
55 HD23 LEU 5 2HD2 LEU 5 9.911 4.791 4.897
56 H GLY 6 H GLY 6 11.952 0.421 3.713
57 HA2 GLY 6 HA2 GLY 6 10.349 -1.621 2.306
58 HA3 GLY 6 HA3 GLY 6 12.111 -1.820 2.278
59 H GLY 7 H GLY 7 9.518 -1.006 4.604
60 HA2 GLY 7 HA2 GLY 7 10.254 -3.047 6.495
61 HA3 GLY 7 HA3 GLY 7 10.880 -1.481 6.964
62 H CYS 8 H CYS 8 9.624 -0.737 8.570
63 HA CYS 8 HA CYS 8 6.935 -1.004 9.198
64 HB2 CYS 8 HB2 CYS 8 8.795 1.410 9.447
65 HB3 CYS 8 HB3 CYS 8 7.228 1.264 10.251
66 HG CYS 8 HG CYS 8 10.080 0.297 11.112
67 H TRP 9 H TRP 9 8.270 1.103 6.620
68 HA TRP 9 HA TRP 9 5.927 2.664 6.173
69 HB2 TRP 9 HB2 TRP 9 7.635 3.590 5.049
70 HB3 TRP 9 HB3 TRP 9 8.434 2.059 4.763
71 HD1 TRP 9 HD1 TRP 9 8.314 1.003 2.508
72 HE1 TRP 9 HE1 TRP 9 7.071 1.419 0.290
73 HE3 TRP 9 HE3 TRP 9 4.993 4.525 4.135
74 HZ2 TRP 9 HZ2 TRP 9 4.632 2.765 -0.514
75 HZ3 TRP 9 HZ3 TRP 9 3.109 5.227 2.681
76 HH2 TRP 9 HH2 TRP 9 2.895 4.340 0.387
77 H LEU 10 H LEU 10 6.691 -0.623 5.007
78 HA LEU 10 HA LEU 10 4.573 -0.617 3.029
79 HB2 LEU 10 HB2 LEU 10 6.181 -2.823 4.327
80 HB3 LEU 10 HB3 LEU 10 5.016 -3.140 3.044
81 HG LEU 10 HG LEU 10 7.321 -1.207 2.709
82 HD11 LEU 10 1HD1 LEU 10 8.474 -2.999 1.454
83 HD12 LEU 10 2HD1 LEU 10 8.242 -3.411 3.161
84 HD13 LEU 10 3HD1 LEU 10 7.192 -4.134 1.924
85 HD21 LEU 10 3HD2 LEU 10 5.551 -2.611 0.666
86 HD22 LEU 10 1HD2 LEU 10 5.510 -0.880 1.070
87 HD23 LEU 10 2HD2 LEU 10 6.934 -1.566 0.287
88 H ALA 11 H ALA 11 4.439 -0.968 6.456
89 HA ALA 11 HA ALA 11 2.135 -2.566 6.803
90 HB1 ALA 11 HB1 ALA 11 3.607 -1.630 8.610
91 HB2 ALA 11 HB2 ALA 11 2.932 -0.019 8.284
92 HB3 ALA 11 HB3 ALA 11 1.882 -1.312 8.887
93 H ILE 12 H ILE 12 2.483 0.782 5.664
94 HA ILE 12 HA ILE 12 -0.348 1.457 5.744
95 HB ILE 12 HB ILE 12 2.020 2.766 4.333
96 HG12 ILE 12 2HG1 ILE 12 1.197 4.581 6.170
97 HG13 ILE 12 3HG1 ILE 12 0.646 3.140 7.012
98 HG21 ILE 12 1HG2 ILE 12 -0.861 3.739 4.581
99 HG22 ILE 12 2HG2 ILE 12 0.515 4.725 4.031
100 HG23 ILE 12 3HG2 ILE 12 0.007 3.344 3.082
101 HD11 ILE 12 3HD1 ILE 12 2.902 3.902 7.710
102 HD12 ILE 12 1HD1 ILE 12 2.988 2.280 7.006
103 HD13 ILE 12 2HD1 ILE 12 3.497 3.698 6.054
104 H VAL 13 H VAL 13 1.840 0.274 3.172
105 HA VAL 13 HA VAL 13 -0.176 0.281 1.088
106 HB VAL 13 HB VAL 13 2.280 -1.508 1.216
107 HG11 VAL 13 1HG1 VAL 13 0.706 -0.360 -1.132
108 HG12 VAL 13 2HG1 VAL 13 2.172 -1.354 -1.249
109 HG13 VAL 13 3HG1 VAL 13 0.690 -2.055 -0.596
110 HG21 VAL 13 3HG2 VAL 13 3.457 0.268 -0.073
111 HG22 VAL 13 1HG2 VAL 13 2.093 1.363 0.218
112 HG23 VAL 13 2HG2 VAL 13 3.082 0.779 1.572
113 H CYS 14 H CYS 14 0.916 -2.136 3.423
114 HA CYS 14 HA CYS 14 -0.616 -4.356 2.572
115 HB2 CYS 14 HB2 CYS 14 0.529 -3.438 5.209
116 HB3 CYS 14 HB3 CYS 14 -0.328 -4.945 5.081
117 HG CYS 14 HG CYS 14 2.456 -3.806 3.754
118 H VAL 15 H VAL 15 -1.509 -1.943 5.116
119 HA VAL 15 HA VAL 15 -4.013 -3.253 5.598
120 HB VAL 15 HB VAL 15 -2.823 -1.943 7.167
121 HG11 VAL 15 1HG1 VAL 15 -2.100 -0.025 5.770
122 HG12 VAL 15 2HG1 VAL 15 -3.773 0.548 5.659
123 HG13 VAL 15 3HG1 VAL 15 -2.931 0.525 7.225
124 HG21 VAL 15 3HG2 VAL 15 -5.602 -0.752 6.558
125 HG22 VAL 15 1HG2 VAL 15 -5.318 -2.267 7.439
126 HG23 VAL 15 2HG2 VAL 15 -4.807 -0.734 8.153
127 H LEU 16 H LEU 16 -3.143 -0.742 3.314
128 HA LEU 16 HA LEU 16 -5.857 -0.165 2.380
129 HB2 LEU 16 HB2 LEU 16 -4.090 1.381 1.895
130 HB3 LEU 16 HB3 LEU 16 -3.008 0.113 1.343
131 HG LEU 16 HG LEU 16 -4.344 -0.226 -0.690
132 HD11 LEU 16 1HD1 LEU 16 -5.942 2.199 0.275
133 HD12 LEU 16 2HD1 LEU 16 -6.093 1.405 -1.306
134 HD13 LEU 16 3HD1 LEU 16 -6.565 0.544 0.164
135 HD21 LEU 16 3HD2 LEU 16 -3.565 2.671 -0.185
136 HD22 LEU 16 1HD2 LEU 16 -2.455 1.353 -0.652
137 HD23 LEU 16 2HD2 LEU 16 -3.720 1.885 -1.774
138 H LEU 17 H LEU 17 -3.281 -2.574 1.560
139 HA LEU 17 HA LEU 17 -4.794 -3.624 -0.635
140 HB2 LEU 17 HB2 LEU 17 -3.074 -4.799 -1.215
141 HB3 LEU 17 HB3 LEU 17 -2.252 -3.758 -0.073
142 HG LEU 17 HG LEU 17 -2.556 -5.675 1.603
143 HD11 LEU 17 1HD1 LEU 17 -4.139 -7.155 0.384
144 HD12 LEU 17 2HD1 LEU 17 -3.027 -7.217 -0.998
145 HD13 LEU 17 3HD1 LEU 17 -2.586 -7.955 0.552
146 HD21 LEU 17 3HD2 LEU 17 -0.520 -6.770 0.780
147 HD22 LEU 17 1HD2 LEU 17 -0.806 -6.128 -0.852
148 HD23 LEU 17 2HD2 LEU 17 -0.408 -5.029 0.482
149 H PHE 18 H PHE 18 -4.703 -4.675 2.783
150 HA PHE 18 HA PHE 18 -6.465 -6.906 2.073
151 HB2 PHE 18 HB2 PHE 18 -6.495 -7.576 4.355
152 HB3 PHE 18 HB3 PHE 18 -4.909 -7.508 3.617
153 HD1 PHE 18 HD2 PHE 18 -7.190 -5.419 5.684
154 HD2 PHE 18 HD1 PHE 18 -3.144 -6.614 4.898
155 HE1 PHE 18 HE2 PHE 18 -6.474 -4.395 7.853
156 HE2 PHE 18 HE1 PHE 18 -2.412 -5.591 7.056
157 HZ PHE 18 HZ PHE 18 -4.076 -4.502 8.537
158 H SER 19 H SER 19 -6.908 -3.724 3.353
159 HA SER 19 HA SER 19 -9.672 -3.892 4.131
160 HB2 SER 19 HB2 SER 19 -7.948 -1.700 2.953
161 HB3 SER 19 HB3 SER 19 -9.646 -1.434 3.423
162 HG SER 19 HG SER 19 -7.387 -1.993 4.963
163 H GLN 20 H GLN 20 -8.129 -3.211 1.008
164 HA GLN 20 HA GLN 20 -10.601 -2.849 -0.469
165 HB2 GLN 20 HB2 GLN 20 -7.753 -3.383 -1.364
166 HB3 GLN 20 HB3 GLN 20 -9.048 -2.922 -2.440
167 HG2 GLN 20 HG2 GLN 20 -8.327 -1.199 -0.029
168 HG3 GLN 20 HG3 GLN 20 -7.352 -1.130 -1.490
169 HE21 GLN 20 2HE2 GLN 20 -8.928 0.916 -0.035
170 HE22 GLN 20 1HE2 GLN 20 -9.876 1.631 -1.309
171 H LEU 21 H LEU 21 -8.338 -5.564 -0.184
172 HA LEU 21 HA LEU 21 -9.710 -7.573 -1.645
173 HB2 LEU 21 HB2 LEU 21 -7.675 -8.248 -1.056
174 HB3 LEU 21 HB3 LEU 21 -7.670 -7.420 0.476
175 HG LEU 21 HG LEU 21 -9.242 -9.983 0.177
176 HD11 LEU 21 1HD1 LEU 21 -7.246 -11.164 1.014
177 HD12 LEU 21 2HD1 LEU 21 -6.942 -10.443 -0.573
178 HD13 LEU 21 3HD1 LEU 21 -6.294 -9.668 0.889
179 HD21 LEU 21 3HD2 LEU 21 -8.819 -10.162 2.587
180 HD22 LEU 21 1HD2 LEU 21 -7.808 -8.705 2.568
181 HD23 LEU 21 2HD2 LEU 21 -9.543 -8.583 2.287
182 H SER 22 H SER 22 -10.521 -6.281 1.540
183 HA SER 22 HA SER 22 -12.408 -8.456 2.098
184 HB2 SER 22 HB2 SER 22 -11.030 -7.387 3.892
185 HB3 SER 22 HB3 SER 22 -11.728 -5.884 3.514
186 HG SER 22 HG SER 22 -12.981 -8.233 4.561
187 H SER 23 H SER 23 -12.635 -5.013 1.164
188 HA SER 23 HA SER 23 -15.274 -4.629 1.918
189 HB2 SER 23 HB2 SER 23 -13.477 -2.917 1.291
190 HB3 SER 23 HB3 SER 23 -14.018 -3.110 -0.383
191 HG SER 23 HG SER 23 -15.557 -2.335 1.898
192 H VAL 24 H VAL 24 -14.329 -6.379 -0.928
193 HA VAL 24 HA VAL 24 -16.602 -5.901 -2.523
194 HB VAL 24 HB VAL 24 -15.879 -8.024 -3.564
195 HG11 VAL 24 1HG1 VAL 24 -13.702 -7.201 -4.405
196 HG12 VAL 24 2HG1 VAL 24 -14.797 -5.827 -4.145
197 HG13 VAL 24 3HG1 VAL 24 -13.525 -6.173 -2.960
198 HG21 VAL 24 3HG2 VAL 24 -13.758 -9.123 -2.929
199 HG22 VAL 24 1HG2 VAL 24 -13.774 -8.227 -1.406
200 HG23 VAL 24 2HG2 VAL 24 -15.068 -9.393 -1.784
201 H LYS 25 H LYS 25 -16.100 -7.995 0.107
202 HA LYS 25 HA LYS 25 -18.832 -9.109 -0.129
203 HB2 LYS 25 HB2 LYS 25 -17.983 -11.201 0.894
204 HB3 LYS 25 HB3 LYS 25 -17.174 -10.824 -0.628
205 HG2 LYS 25 HG2 LYS 25 -15.229 -9.882 0.641
206 HG3 LYS 25 HG3 LYS 25 -16.035 -10.300 2.164
207 HD2 LYS 25 HD2 LYS 25 -15.961 -12.687 1.568
208 HD3 LYS 25 HD3 LYS 25 -15.240 -12.284 -0.010
209 HE2 LYS 25 HE2 LYS 25 -13.300 -11.239 1.142
210 HE3 LYS 25 HE3 LYS 25 -14.013 -11.661 2.716
211 HZ1 LYS 25 HZ1 LYS 25 -13.858 -13.989 2.102
212 HZ2 LYS 25 HZ2 LYS 25 -13.238 -13.623 0.630
213 HZ3 LYS 25 HZ3 LYS 25 -12.360 -13.307 1.987
214 H ALA 26 H ALA 26 -17.274 -6.859 1.484
215 HA ALA 26 HA ALA 26 -18.657 -7.211 4.081
216 HB1 ALA 26 HB1 ALA 26 -16.661 -7.462 5.423
217 HB2 ALA 26 HB2 ALA 26 -16.529 -8.675 4.143
218 HB3 ALA 26 HB3 ALA 26 -15.610 -7.172 4.024
219 H ARG 27 H ARG 27 -17.626 -5.425 5.718
220 HA ARG 27 HA ARG 27 -17.529 -2.801 4.538
221 HB2 ARG 27 HB2 ARG 27 -16.602 -3.848 7.248
222 HB3 ARG 27 HB3 ARG 27 -16.517 -2.144 6.764
223 HG2 ARG 27 HG2 ARG 27 -18.950 -2.162 6.278
224 HG3 ARG 27 HG3 ARG 27 -19.062 -3.827 6.855
225 HD2 ARG 27 HD2 ARG 27 -18.446 -3.179 9.095
226 HD3 ARG 27 HD3 ARG 27 -18.073 -1.536 8.591
227 HE ARG 27 HE ARG 27 -20.811 -2.773 8.679
228 HH11 ARG 27 1HH1 ARG 27 -18.966 0.274 8.542
229 HH12 ARG 27 2HH1 ARG 27 -20.347 1.135 9.218
230 HH21 ARG 27 1HH2 ARG 27 -22.521 -1.402 9.277
231 HH22 ARG 27 2HH2 ARG 27 -22.161 0.296 9.488
232 H GLY 28 H GLY 28 -14.710 -4.693 5.816
233 HA2 GLY 28 HA2 GLY 28 -12.484 -4.697 5.047
234 HA3 GLY 28 HA3 GLY 28 -13.107 -4.089 3.519
235 H ILE 29 H ILE 29 -12.552 -2.142 2.927
236 HA ILE 29 HA ILE 29 -11.151 -0.078 4.155
237 HB ILE 29 HB ILE 29 -13.484 0.185 2.228
238 HG12 ILE 29 2HG1 ILE 29 -10.612 -0.064 1.290
239 HG13 ILE 29 3HG1 ILE 29 -11.591 -1.495 1.510
240 HG21 ILE 29 1HG2 ILE 29 -12.764 2.349 3.063
241 HG22 ILE 29 2HG2 ILE 29 -11.066 1.990 2.683
242 HG23 ILE 29 3HG2 ILE 29 -12.264 2.199 1.391
243 HD11 ILE 29 3HD1 ILE 29 -13.359 -0.544 0.021
244 HD12 ILE 29 1HD1 ILE 29 -12.239 0.781 -0.358
245 HD13 ILE 29 2HD1 ILE 29 -11.823 -0.895 -0.770
246 H LYS 30 H LYS 30 -11.517 1.051 5.949
247 HA LYS 30 HA LYS 30 -14.201 2.038 6.728
248 HB2 LYS 30 HB2 LYS 30 -13.949 -0.278 7.592
249 HB3 LYS 30 HB3 LYS 30 -12.483 0.208 8.458
250 HG2 LYS 30 HG2 LYS 30 -13.724 1.617 9.970
251 HG3 LYS 30 HG3 LYS 30 -15.181 1.521 8.956
252 HD2 LYS 30 HD2 LYS 30 -15.278 -0.944 9.345
253 HD3 LYS 30 HD3 LYS 30 -13.909 -0.822 10.455
254 HE2 LYS 30 HE2 LYS 30 -16.520 0.718 10.816
255 HE3 LYS 30 HE3 LYS 30 -16.289 -0.923 11.431
256 HZ1 LYS 30 HZ1 LYS 30 -14.493 -0.140 12.825
257 HZ2 LYS 30 HZ2 LYS 30 -14.630 1.395 12.273
258 HZ3 LYS 30 HZ3 LYS 30 -15.858 0.668 13.119
Start of MODEL 8
1 H1 MET 1 H1 MET 1 14.545 9.531 -4.704
2 H2 MET 1 H2 MET 1 13.979 10.917 -5.376
3 H3 MET 1 H3 MET 1 15.097 10.025 -6.182
4 HA MET 1 HA MET 1 13.046 9.689 -7.208
5 HB2 MET 1 HB2 MET 1 14.425 7.745 -7.225
6 HB3 MET 1 HB3 MET 1 13.919 7.285 -5.598
7 HG2 MET 1 HG2 MET 1 12.830 5.930 -7.336
8 HG3 MET 1 HG3 MET 1 11.660 6.807 -6.363
9 HE1 MET 1 HE1 MET 1 9.751 6.289 -8.133
10 HE2 MET 1 HE2 MET 1 9.937 6.576 -9.876
11 HE3 MET 1 HE3 MET 1 10.949 5.364 -9.069
12 H ARG 2 H ARG 2 12.492 8.178 -4.075
13 HA ARG 2 HA ARG 2 10.132 9.803 -3.483
14 HB2 ARG 2 HB2 ARG 2 9.831 6.793 -3.924
15 HB3 ARG 2 HB3 ARG 2 8.629 7.836 -3.179
16 HG2 ARG 2 HG2 ARG 2 9.510 7.992 -6.082
17 HG3 ARG 2 HG3 ARG 2 8.041 7.252 -5.468
18 HD2 ARG 2 HD2 ARG 2 7.261 9.425 -4.596
19 HD3 ARG 2 HD3 ARG 2 8.703 10.223 -5.216
20 HE ARG 2 HE ARG 2 6.353 9.360 -6.726
21 HH11 ARG 2 1HH1 ARG 2 9.752 10.249 -7.249
22 HH12 ARG 2 2HH1 ARG 2 9.397 10.510 -8.959
23 HH21 ARG 2 1HH2 ARG 2 6.121 9.752 -8.770
24 HH22 ARG 2 2HH2 ARG 2 7.504 10.249 -9.773
25 H LYS 3 H LYS 3 9.298 9.380 -1.356
26 HA LYS 3 HA LYS 3 11.341 8.957 0.625
27 HB2 LYS 3 HB2 LYS 3 9.528 10.596 0.776
28 HB3 LYS 3 HB3 LYS 3 8.316 9.315 0.755
29 HG2 LYS 3 HG2 LYS 3 9.024 8.536 2.957
30 HG3 LYS 3 HG3 LYS 3 10.329 9.731 3.007
31 HD2 LYS 3 HD2 LYS 3 7.376 10.464 2.714
32 HD3 LYS 3 HD3 LYS 3 8.173 10.279 4.279
33 HE2 LYS 3 HE2 LYS 3 9.755 12.061 3.773
34 HE3 LYS 3 HE3 LYS 3 9.093 12.264 2.144
35 HZ1 LYS 3 HZ1 LYS 3 7.170 13.245 2.994
36 HZ2 LYS 3 HZ2 LYS 3 7.290 12.512 4.455
37 HZ3 LYS 3 HZ3 LYS 3 8.260 13.776 4.091
38 H HIS 4 H HIS 4 9.296 6.752 -0.828
39 HA HIS 4 HA HIS 4 8.772 4.907 1.290
40 HB2 HIS 4 HB2 HIS 4 8.719 4.365 -1.699
41 HB3 HIS 4 HB3 HIS 4 7.814 3.511 -0.453
42 HD2 HIS 4 HD2 HIS 4 6.262 5.578 1.123
43 HE1 HIS 4 HE1 HIS 4 5.412 7.771 -2.430
44 HE2 HIS 4 HE2 HIS 4 4.758 7.434 0.015
45 H LEU 5 H LEU 5 9.272 2.576 1.259
46 HA LEU 5 HA LEU 5 11.912 1.737 0.353
47 HB2 LEU 5 HB2 LEU 5 12.947 1.473 2.454
48 HB3 LEU 5 HB3 LEU 5 12.484 3.133 2.303
49 HG LEU 5 HG LEU 5 10.566 1.347 3.785
50 HD11 LEU 5 1HD1 LEU 5 11.859 1.536 5.867
51 HD12 LEU 5 2HD1 LEU 5 12.731 0.580 4.661
52 HD13 LEU 5 3HD1 LEU 5 13.210 2.261 4.972
53 HD21 LEU 5 3HD2 LEU 5 10.349 3.334 5.213
54 HD22 LEU 5 1HD2 LEU 5 11.679 4.127 4.358
55 HD23 LEU 5 2HD2 LEU 5 10.156 3.807 3.514
56 H GLY 6 H GLY 6 11.937 -0.335 2.618
57 HA2 GLY 6 HA2 GLY 6 9.900 -2.222 1.499
58 HA3 GLY 6 HA3 GLY 6 11.628 -2.593 1.429
59 H GLY 7 H GLY 7 9.676 -1.117 4.000
60 HA2 GLY 7 HA2 GLY 7 10.459 -3.188 5.976
61 HA3 GLY 7 HA3 GLY 7 11.120 -1.564 6.168
62 H CYS 8 H CYS 8 9.997 -0.804 7.976
63 HA CYS 8 HA CYS 8 7.338 -1.178 8.700
64 HB2 CYS 8 HB2 CYS 8 9.242 1.169 9.073
65 HB3 CYS 8 HB3 CYS 8 7.627 1.112 9.796
66 HG CYS 8 HG CYS 8 10.199 -0.949 10.104
67 H TRP 9 H TRP 9 8.454 0.957 6.073
68 HA TRP 9 HA TRP 9 6.116 2.515 5.767
69 HB2 TRP 9 HB2 TRP 9 7.972 3.199 4.500
70 HB3 TRP 9 HB3 TRP 9 8.361 1.563 4.046
71 HD1 TRP 9 HD1 TRP 9 7.656 0.624 1.929
72 HE1 TRP 9 HE1 TRP 9 6.038 1.224 -0.005
73 HE3 TRP 9 HE3 TRP 9 5.196 4.454 4.172
74 HZ2 TRP 9 HZ2 TRP 9 3.898 3.079 -0.435
75 HZ3 TRP 9 HZ3 TRP 9 3.232 5.506 3.060
76 HH2 TRP 9 HH2 TRP 9 2.589 4.853 0.763
77 H LEU 10 H LEU 10 6.793 -0.824 4.747
78 HA LEU 10 HA LEU 10 4.569 -1.104 2.964
79 HB2 LEU 10 HB2 LEU 10 6.071 -3.197 4.584
80 HB3 LEU 10 HB3 LEU 10 4.979 -3.544 3.264
81 HG LEU 10 HG LEU 10 7.539 -1.970 2.969
82 HD11 LEU 10 1HD1 LEU 10 6.876 -4.848 2.242
83 HD12 LEU 10 2HD1 LEU 10 8.381 -4.014 1.833
84 HD13 LEU 10 3HD1 LEU 10 7.976 -4.321 3.535
85 HD21 LEU 10 3HD2 LEU 10 5.912 -1.366 1.215
86 HD22 LEU 10 1HD2 LEU 10 7.200 -2.355 0.532
87 HD23 LEU 10 2HD2 LEU 10 5.623 -3.086 0.876
88 H ALA 11 H ALA 11 4.641 -1.006 6.472
89 HA ALA 11 HA ALA 11 2.227 -2.432 6.995
90 HB1 ALA 11 HB1 ALA 11 2.293 -1.277 9.121
91 HB2 ALA 11 HB2 ALA 11 3.956 -1.698 8.668
92 HB3 ALA 11 HB3 ALA 11 3.376 -0.030 8.472
93 H ILE 12 H ILE 12 2.745 0.761 5.559
94 HA ILE 12 HA ILE 12 -0.054 1.636 5.848
95 HB ILE 12 HB ILE 12 2.340 2.798 4.358
96 HG12 ILE 12 2HG1 ILE 12 1.685 4.698 6.139
97 HG13 ILE 12 3HG1 ILE 12 0.992 3.354 7.027
98 HG21 ILE 12 1HG2 ILE 12 0.357 3.450 3.116
99 HG22 ILE 12 2HG2 ILE 12 -0.478 3.923 4.620
100 HG23 ILE 12 3HG2 ILE 12 0.937 4.822 4.033
101 HD11 ILE 12 3HD1 ILE 12 3.245 2.282 7.101
102 HD12 ILE 12 1HD1 ILE 12 3.892 3.592 6.087
103 HD13 ILE 12 2HD1 ILE 12 3.303 3.938 7.721
104 H VAL 13 H VAL 13 1.949 0.059 3.376
105 HA VAL 13 HA VAL 13 -0.161 0.136 1.360
106 HB VAL 13 HB VAL 13 2.265 -1.652 1.243
107 HG11 VAL 13 1HG1 VAL 13 0.558 -0.271 -0.881
108 HG12 VAL 13 2HG1 VAL 13 1.983 -1.274 -1.197
109 HG13 VAL 13 3HG1 VAL 13 0.541 -2.008 -0.492
110 HG21 VAL 13 3HG2 VAL 13 3.409 0.196 0.014
111 HG22 VAL 13 1HG2 VAL 13 2.106 1.299 0.504
112 HG23 VAL 13 2HG2 VAL 13 3.175 0.573 1.720
113 H CYS 14 H CYS 14 1.009 -2.225 3.684
114 HA CYS 14 HA CYS 14 -0.520 -4.493 3.070
115 HB2 CYS 14 HB2 CYS 14 0.544 -3.265 5.619
116 HB3 CYS 14 HB3 CYS 14 -0.386 -4.741 5.668
117 HG CYS 14 HG CYS 14 2.483 -3.959 4.289
118 H VAL 15 H VAL 15 -1.510 -1.772 5.207
119 HA VAL 15 HA VAL 15 -4.065 -2.969 5.743
120 HB VAL 15 HB VAL 15 -2.955 -1.532 7.218
121 HG11 VAL 15 1HG1 VAL 15 -1.933 0.132 5.756
122 HG12 VAL 15 2HG1 VAL 15 -3.529 0.773 5.301
123 HG13 VAL 15 3HG1 VAL 15 -2.931 0.943 6.964
124 HG21 VAL 15 3HG2 VAL 15 -5.573 -0.253 6.247
125 HG22 VAL 15 1HG2 VAL 15 -5.477 -1.680 7.300
126 HG23 VAL 15 2HG2 VAL 15 -4.913 -0.107 7.893
127 H LEU 16 H LEU 16 -3.012 -0.825 3.170
128 HA LEU 16 HA LEU 16 -5.663 -0.383 2.025
129 HB2 LEU 16 HB2 LEU 16 -4.007 1.065 1.236
130 HB3 LEU 16 HB3 LEU 16 -2.770 -0.163 1.194
131 HG LEU 16 HG LEU 16 -3.865 -1.186 -0.824
132 HD11 LEU 16 1HD1 LEU 16 -5.468 0.145 -2.079
133 HD12 LEU 16 2HD1 LEU 16 -6.128 -0.174 -0.464
134 HD13 LEU 16 3HD1 LEU 16 -5.448 1.420 -0.846
135 HD21 LEU 16 3HD2 LEU 16 -2.998 1.725 -1.042
136 HD22 LEU 16 1HD2 LEU 16 -1.922 0.313 -1.002
137 HD23 LEU 16 2HD2 LEU 16 -3.031 0.538 -2.364
138 H LEU 17 H LEU 17 -3.093 -2.918 1.701
139 HA LEU 17 HA LEU 17 -4.564 -4.232 -0.385
140 HB2 LEU 17 HB2 LEU 17 -2.794 -5.443 -0.802
141 HB3 LEU 17 HB3 LEU 17 -2.043 -4.179 0.151
142 HG LEU 17 HG LEU 17 -2.317 -5.829 2.133
143 HD11 LEU 17 1HD1 LEU 17 -3.664 -7.616 1.114
144 HD12 LEU 17 2HD1 LEU 17 -2.474 -7.792 -0.193
145 HD13 LEU 17 3HD1 LEU 17 -2.059 -8.226 1.478
146 HD21 LEU 17 3HD2 LEU 17 -0.366 -6.511 -0.095
147 HD22 LEU 17 1HD2 LEU 17 -0.168 -5.134 0.994
148 HD23 LEU 17 2HD2 LEU 17 -0.135 -6.782 1.646
149 H PHE 18 H PHE 18 -4.707 -4.735 3.104
150 HA PHE 18 HA PHE 18 -6.487 -7.042 2.636
151 HB2 PHE 18 HB2 PHE 18 -6.792 -7.281 4.993
152 HB3 PHE 18 HB3 PHE 18 -5.159 -7.502 4.387
153 HD1 PHE 18 HD2 PHE 18 -7.367 -5.038 6.062
154 HD2 PHE 18 HD1 PHE 18 -3.333 -6.352 5.404
155 HE1 PHE 18 HE2 PHE 18 -6.639 -3.808 8.105
156 HE2 PHE 18 HE1 PHE 18 -2.605 -5.117 7.441
157 HZ PHE 18 HZ PHE 18 -4.260 -3.873 8.817
158 H SER 19 H SER 19 -6.854 -3.654 3.479
159 HA SER 19 HA SER 19 -9.655 -3.595 3.983
160 HB2 SER 19 HB2 SER 19 -7.784 -1.654 2.595
161 HB3 SER 19 HB3 SER 19 -9.481 -1.284 2.952
162 HG SER 19 HG SER 19 -7.287 -1.631 4.621
163 H GLN 20 H GLN 20 -7.878 -3.792 0.945
164 HA GLN 20 HA GLN 20 -10.160 -3.477 -0.838
165 HB2 GLN 20 HB2 GLN 20 -7.369 -4.598 -1.273
166 HB3 GLN 20 HB3 GLN 20 -8.495 -4.211 -2.560
167 HG2 GLN 20 HG2 GLN 20 -7.798 -2.063 -0.533
168 HG3 GLN 20 HG3 GLN 20 -6.579 -2.507 -1.724
169 HE21 GLN 20 2HE2 GLN 20 -8.109 -0.013 -1.125
170 HE22 GLN 20 1HE2 GLN 20 -8.691 0.439 -2.710
171 H LEU 21 H LEU 21 -8.267 -6.279 0.243
172 HA LEU 21 HA LEU 21 -9.791 -8.443 -0.799
173 HB2 LEU 21 HB2 LEU 21 -7.846 -9.119 0.008
174 HB3 LEU 21 HB3 LEU 21 -7.769 -7.943 1.280
175 HG LEU 21 HG LEU 21 -9.484 -10.441 1.517
176 HD11 LEU 21 1HD1 LEU 21 -6.594 -9.921 2.398
177 HD12 LEU 21 2HD1 LEU 21 -7.554 -11.356 2.798
178 HD13 LEU 21 3HD1 LEU 21 -7.110 -11.033 1.121
179 HD21 LEU 21 3HD2 LEU 21 -9.223 -10.055 3.942
180 HD22 LEU 21 1HD2 LEU 21 -8.228 -8.622 3.644
181 HD23 LEU 21 2HD2 LEU 21 -9.940 -8.610 3.246
182 H SER 22 H SER 22 -10.390 -6.451 2.040
183 HA SER 22 HA SER 22 -12.645 -8.019 2.965
184 HB2 SER 22 HB2 SER 22 -11.248 -6.674 4.514
185 HB3 SER 22 HB3 SER 22 -11.590 -5.269 3.608
186 HG SER 22 HG SER 22 -13.393 -6.918 5.083
187 H SER 23 H SER 23 -12.351 -4.912 1.228
188 HA SER 23 HA SER 23 -14.912 -4.034 1.605
189 HB2 SER 23 HB2 SER 23 -13.142 -2.590 0.859
190 HB3 SER 23 HB3 SER 23 -12.898 -3.529 -0.614
191 HG SER 23 HG SER 23 -15.069 -1.804 0.027
192 H VAL 24 H VAL 24 -14.111 -6.418 -0.853
193 HA VAL 24 HA VAL 24 -16.582 -6.144 -2.256
194 HB VAL 24 HB VAL 24 -15.943 -8.131 -3.339
195 HG11 VAL 24 1HG1 VAL 24 -13.389 -6.524 -2.923
196 HG12 VAL 24 2HG1 VAL 24 -13.838 -7.463 -4.359
197 HG13 VAL 24 3HG1 VAL 24 -14.749 -6.000 -3.948
198 HG21 VAL 24 3HG2 VAL 24 -13.701 -8.528 -1.353
199 HG22 VAL 24 1HG2 VAL 24 -15.078 -9.619 -1.680
200 HG23 VAL 24 2HG2 VAL 24 -13.863 -9.378 -2.904
201 H LYS 25 H LYS 25 -15.473 -8.396 0.225
202 HA LYS 25 HA LYS 25 -18.076 -9.699 0.395
203 HB2 LYS 25 HB2 LYS 25 -16.913 -11.229 1.973
204 HB3 LYS 25 HB3 LYS 25 -16.070 -11.075 0.435
205 HG2 LYS 25 HG2 LYS 25 -14.432 -9.524 1.442
206 HG3 LYS 25 HG3 LYS 25 -15.299 -9.588 2.986
207 HD2 LYS 25 HD2 LYS 25 -14.807 -12.038 3.112
208 HD3 LYS 25 HD3 LYS 25 -13.870 -11.895 1.607
209 HE2 LYS 25 HE2 LYS 25 -12.394 -10.205 2.706
210 HE3 LYS 25 HE3 LYS 25 -13.358 -10.344 4.187
211 HZ1 LYS 25 HZ1 LYS 25 -11.493 -11.732 4.502
212 HZ2 LYS 25 HZ2 LYS 25 -12.723 -12.766 4.154
213 HZ3 LYS 25 HZ3 LYS 25 -11.649 -12.449 3.001
214 H ALA 26 H ALA 26 -16.814 -7.010 1.756
215 HA ALA 26 HA ALA 26 -18.472 -6.922 4.218
216 HB1 ALA 26 HB1 ALA 26 -16.471 -6.997 5.685
217 HB2 ALA 26 HB2 ALA 26 -16.568 -8.477 4.733
218 HB3 ALA 26 HB3 ALA 26 -15.439 -7.185 4.260
219 H ARG 27 H ARG 27 -17.102 -5.082 5.687
220 HA ARG 27 HA ARG 27 -17.686 -2.631 4.275
221 HB2 ARG 27 HB2 ARG 27 -16.526 -3.141 7.048
222 HB3 ARG 27 HB3 ARG 27 -17.040 -1.560 6.430
223 HG2 ARG 27 HG2 ARG 27 -19.316 -2.470 6.032
224 HG3 ARG 27 HG3 ARG 27 -18.842 -3.999 6.785
225 HD2 ARG 27 HD2 ARG 27 -18.388 -2.874 8.905
226 HD3 ARG 27 HD3 ARG 27 -18.720 -1.294 8.173
227 HE ARG 27 HE ARG 27 -21.070 -2.171 7.732
228 HH11 ARG 27 1HH1 ARG 27 -19.374 -3.061 10.685
229 HH12 ARG 27 2HH1 ARG 27 -20.887 -3.320 11.518
230 HH21 ARG 27 1HH2 ARG 27 -22.814 -2.623 8.773
231 HH22 ARG 27 2HH2 ARG 27 -22.816 -3.128 10.452
232 H GLY 28 H GLY 28 -14.567 -3.979 5.356
233 HA2 GLY 28 HA2 GLY 28 -12.403 -3.624 4.628
234 HA3 GLY 28 HA3 GLY 28 -13.190 -3.338 3.089
235 H ILE 29 H ILE 29 -12.193 -1.745 2.158
236 HA ILE 29 HA ILE 29 -10.639 0.350 2.804
237 HB ILE 29 HB ILE 29 -12.928 0.460 0.820
238 HG12 ILE 29 2HG1 ILE 29 -10.004 -0.179 0.231
239 HG13 ILE 29 3HG1 ILE 29 -11.182 -1.429 0.563
240 HG21 ILE 29 1HG2 ILE 29 -11.531 2.176 -0.377
241 HG22 ILE 29 2HG2 ILE 29 -12.098 2.743 1.184
242 HG23 ILE 29 3HG2 ILE 29 -10.419 2.196 0.993
243 HD11 ILE 29 3HD1 ILE 29 -12.616 -0.512 -1.323
244 HD12 ILE 29 1HD1 ILE 29 -11.213 0.466 -1.794
245 HD13 ILE 29 2HD1 ILE 29 -11.101 -1.301 -1.784
246 H LYS 30 H LYS 30 -10.618 1.902 4.201
247 HA LYS 30 HA LYS 30 -12.839 2.113 5.957
248 HB2 LYS 30 HB2 LYS 30 -10.573 1.957 6.759
249 HB3 LYS 30 HB3 LYS 30 -10.137 3.498 6.003
250 HG2 LYS 30 HG2 LYS 30 -11.543 4.749 7.487
251 HG3 LYS 30 HG3 LYS 30 -12.362 3.288 8.069
252 HD2 LYS 30 HD2 LYS 30 -10.384 2.527 9.216
253 HD3 LYS 30 HD3 LYS 30 -9.409 3.853 8.527
254 HE2 LYS 30 HE2 LYS 30 -10.722 5.521 9.687
255 HE3 LYS 30 HE3 LYS 30 -11.899 4.316 10.229
256 HZ1 LYS 30 HZ1 LYS 30 -9.054 4.177 11.017
257 HZ2 LYS 30 HZ2 LYS 30 -10.194 4.985 11.915
258 HZ3 LYS 30 HZ3 LYS 30 -10.339 3.375 11.668
Start of MODEL 9
1 H1 MET 1 H1 MET 1 17.856 10.076 3.664
2 H2 MET 1 H2 MET 1 18.832 9.576 4.886
3 H3 MET 1 H3 MET 1 17.517 10.529 5.187
4 HA MET 1 HA MET 1 17.402 7.788 4.140
5 HB2 MET 1 HB2 MET 1 18.166 7.749 6.437
6 HB3 MET 1 HB3 MET 1 16.864 8.820 6.938
7 HG2 MET 1 HG2 MET 1 16.367 6.493 7.517
8 HG3 MET 1 HG3 MET 1 15.181 7.136 6.355
9 HE1 MET 1 HE1 MET 1 15.139 3.484 5.199
10 HE2 MET 1 HE2 MET 1 15.247 4.066 6.880
11 HE3 MET 1 HE3 MET 1 14.226 4.930 5.708
12 H ARG 2 H ARG 2 15.754 7.617 2.829
13 HA ARG 2 HA ARG 2 13.685 9.453 2.420
14 HB2 ARG 2 HB2 ARG 2 12.665 7.718 1.005
15 HB3 ARG 2 HB3 ARG 2 14.403 7.867 0.749
16 HG2 ARG 2 HG2 ARG 2 14.783 5.815 2.134
17 HG3 ARG 2 HG3 ARG 2 13.045 5.688 2.414
18 HD2 ARG 2 HD2 ARG 2 13.732 4.137 0.665
19 HD3 ARG 2 HD3 ARG 2 12.646 5.374 0.022
20 HE ARG 2 HE ARG 2 15.637 5.526 -0.254
21 HH11 ARG 2 1HH1 ARG 2 12.625 5.124 -1.980
22 HH12 ARG 2 2HH1 ARG 2 13.241 5.881 -3.426
23 HH21 ARG 2 1HH2 ARG 2 16.365 6.509 -2.147
24 HH22 ARG 2 2HH2 ARG 2 15.296 6.676 -3.497
25 H LYS 3 H LYS 3 11.487 9.547 2.805
26 HA LYS 3 HA LYS 3 10.604 8.619 5.413
27 HB2 LYS 3 HB2 LYS 3 10.151 10.851 4.508
28 HB3 LYS 3 HB3 LYS 3 9.188 10.153 3.202
29 HG2 LYS 3 HG2 LYS 3 7.500 9.358 4.737
30 HG3 LYS 3 HG3 LYS 3 8.500 9.764 6.137
31 HD2 LYS 3 HD2 LYS 3 7.467 11.803 4.126
32 HD3 LYS 3 HD3 LYS 3 6.612 11.404 5.614
33 HE2 LYS 3 HE2 LYS 3 9.482 12.441 5.543
34 HE3 LYS 3 HE3 LYS 3 8.087 13.494 5.686
35 HZ1 LYS 3 HZ1 LYS 3 9.239 12.716 7.810
36 HZ2 LYS 3 HZ2 LYS 3 7.573 12.656 7.764
37 HZ3 LYS 3 HZ3 LYS 3 8.464 11.293 7.622
38 H HIS 4 H HIS 4 10.043 7.610 2.238
39 HA HIS 4 HA HIS 4 8.078 5.488 3.043
40 HB2 HIS 4 HB2 HIS 4 8.596 6.624 0.278
41 HB3 HIS 4 HB3 HIS 4 7.308 5.523 0.754
42 HD2 HIS 4 HD2 HIS 4 5.969 6.798 3.175
43 HE1 HIS 4 HE1 HIS 4 6.135 10.634 1.338
44 HE2 HIS 4 HE2 HIS 4 5.062 9.238 3.212
45 H LEU 5 H LEU 5 10.015 4.481 3.928
46 HA LEU 5 HA LEU 5 11.978 3.230 2.197
47 HB2 LEU 5 HB2 LEU 5 12.868 2.359 4.235
48 HB3 LEU 5 HB3 LEU 5 12.500 4.049 4.437
49 HG LEU 5 HG LEU 5 10.416 2.068 5.372
50 HD11 LEU 5 1HD1 LEU 5 11.516 1.722 7.488
51 HD12 LEU 5 2HD1 LEU 5 12.580 1.140 6.198
52 HD13 LEU 5 3HD1 LEU 5 12.908 2.698 6.981
53 HD21 LEU 5 3HD2 LEU 5 9.951 4.491 5.646
54 HD22 LEU 5 1HD2 LEU 5 10.153 3.704 7.205
55 HD23 LEU 5 2HD2 LEU 5 11.472 4.681 6.537
56 H GLY 6 H GLY 6 11.778 0.678 3.924
57 HA2 GLY 6 HA2 GLY 6 9.458 -0.716 2.680
58 HA3 GLY 6 HA3 GLY 6 11.084 -1.323 2.374
59 H GLY 7 H GLY 7 11.008 -0.047 5.482
60 HA2 GLY 7 HA2 GLY 7 10.458 -2.584 6.894
61 HA3 GLY 7 HA3 GLY 7 11.016 -1.066 7.600
62 H CYS 8 H CYS 8 9.389 -0.829 9.172
63 HA CYS 8 HA CYS 8 6.697 -1.424 8.988
64 HB2 CYS 8 HB2 CYS 8 8.230 0.582 10.671
65 HB3 CYS 8 HB3 CYS 8 6.488 0.380 10.824
66 HG CYS 8 HG CYS 8 7.626 -1.012 12.732
67 H TRP 9 H TRP 9 7.993 1.153 7.184
68 HA TRP 9 HA TRP 9 5.674 2.841 7.054
69 HB2 TRP 9 HB2 TRP 9 7.617 3.796 6.081
70 HB3 TRP 9 HB3 TRP 9 8.107 2.274 5.397
71 HD1 TRP 9 HD1 TRP 9 7.652 1.723 3.059
72 HE1 TRP 9 HE1 TRP 9 6.251 2.675 1.100
73 HE3 TRP 9 HE3 TRP 9 4.876 5.083 5.684
74 HZ2 TRP 9 HZ2 TRP 9 4.056 4.514 0.802
75 HZ3 TRP 9 HZ3 TRP 9 2.965 6.235 4.593
76 HH2 TRP 9 HH2 TRP 9 2.554 5.966 2.163
77 H LEU 10 H LEU 10 6.646 -0.200 5.447
78 HA LEU 10 HA LEU 10 4.790 0.029 3.327
79 HB2 LEU 10 HB2 LEU 10 6.998 -1.019 3.359
80 HB3 LEU 10 HB3 LEU 10 6.421 -2.283 4.450
81 HG LEU 10 HG LEU 10 4.832 -3.016 2.725
82 HD11 LEU 10 1HD1 LEU 10 4.589 -0.964 1.366
83 HD12 LEU 10 2HD1 LEU 10 6.311 -1.046 0.920
84 HD13 LEU 10 3HD1 LEU 10 5.174 -2.287 0.358
85 HD21 LEU 10 3HD2 LEU 10 7.761 -2.923 1.881
86 HD22 LEU 10 1HD2 LEU 10 6.988 -4.138 2.925
87 HD23 LEU 10 2HD2 LEU 10 6.551 -4.034 1.213
88 H ALA 11 H ALA 11 4.468 -1.280 6.547
89 HA ALA 11 HA ALA 11 2.172 -2.871 6.381
90 HB1 ALA 11 HB1 ALA 11 3.565 -2.433 8.410
91 HB2 ALA 11 HB2 ALA 11 2.919 -0.779 8.476
92 HB3 ALA 11 HB3 ALA 11 1.839 -2.166 8.717
93 H ILE 12 H ILE 12 2.461 0.598 5.878
94 HA ILE 12 HA ILE 12 -0.430 1.138 6.278
95 HB ILE 12 HB ILE 12 1.930 2.884 5.530
96 HG12 ILE 12 2HG1 ILE 12 0.368 3.405 8.026
97 HG13 ILE 12 3HG1 ILE 12 1.186 1.857 8.029
98 HG21 ILE 12 1HG2 ILE 12 -0.955 3.725 5.977
99 HG22 ILE 12 2HG2 ILE 12 0.437 4.833 5.946
100 HG23 ILE 12 3HG2 ILE 12 0.013 3.924 4.494
101 HD11 ILE 12 3HD1 ILE 12 2.583 3.614 9.026
102 HD12 ILE 12 1HD1 ILE 12 3.349 2.890 7.609
103 HD13 ILE 12 2HD1 ILE 12 2.588 4.497 7.483
104 H VAL 13 H VAL 13 1.795 0.673 3.592
105 HA VAL 13 HA VAL 13 -0.250 1.124 1.540
106 HB VAL 13 HB VAL 13 2.325 -0.357 1.056
107 HG11 VAL 13 1HG1 VAL 13 2.130 0.677 -1.164
108 HG12 VAL 13 2HG1 VAL 13 0.661 -0.215 -0.772
109 HG13 VAL 13 3HG1 VAL 13 0.672 1.557 -0.652
110 HG21 VAL 13 3HG2 VAL 13 3.420 1.805 0.515
111 HG22 VAL 13 1HG2 VAL 13 2.044 2.669 1.239
112 HG23 VAL 13 2HG2 VAL 13 3.094 1.640 2.236
113 H CYS 14 H CYS 14 1.157 -1.664 3.198
114 HA CYS 14 HA CYS 14 -0.012 -3.790 1.798
115 HB2 CYS 14 HB2 CYS 14 0.753 -3.360 4.688
116 HB3 CYS 14 HB3 CYS 14 0.024 -4.860 4.183
117 HG CYS 14 HG CYS 14 2.763 -3.341 3.300
118 H VAL 15 H VAL 15 -1.454 -2.151 4.675
119 HA VAL 15 HA VAL 15 -3.807 -3.742 4.577
120 HB VAL 15 HB VAL 15 -2.967 -2.597 6.498
121 HG11 VAL 15 1HG1 VAL 15 -3.363 -0.215 6.913
122 HG12 VAL 15 2HG1 VAL 15 -2.325 -0.397 5.502
123 HG13 VAL 15 3HG1 VAL 15 -4.044 0.007 5.291
124 HG21 VAL 15 3HG2 VAL 15 -5.379 -3.270 6.393
125 HG22 VAL 15 1HG2 VAL 15 -5.169 -1.811 7.393
126 HG23 VAL 15 2HG2 VAL 15 -5.793 -1.682 5.734
127 H LEU 16 H LEU 16 -3.066 -0.757 2.881
128 HA LEU 16 HA LEU 16 -5.696 -0.302 1.814
129 HB2 LEU 16 HB2 LEU 16 -4.213 1.514 1.802
130 HB3 LEU 16 HB3 LEU 16 -2.864 0.548 1.248
131 HG LEU 16 HG LEU 16 -3.931 0.408 -1.041
132 HD11 LEU 16 1HD1 LEU 16 -6.269 0.991 -0.385
133 HD12 LEU 16 2HD1 LEU 16 -5.720 2.608 0.092
134 HD13 LEU 16 3HD1 LEU 16 -5.628 2.099 -1.600
135 HD21 LEU 16 3HD2 LEU 16 -2.081 1.907 -0.522
136 HD22 LEU 16 1HD2 LEU 16 -3.228 2.756 -1.564
137 HD23 LEU 16 2HD2 LEU 16 -3.194 3.106 0.169
138 H LEU 17 H LEU 17 -3.063 -2.485 0.963
139 HA LEU 17 HA LEU 17 -4.303 -3.212 -1.597
140 HB2 LEU 17 HB2 LEU 17 -2.333 -3.769 -2.355
141 HB3 LEU 17 HB3 LEU 17 -1.790 -2.756 -1.040
142 HG LEU 17 HG LEU 17 -1.605 -4.974 0.305
143 HD11 LEU 17 1HD1 LEU 17 -1.494 -6.048 -2.550
144 HD12 LEU 17 2HD1 LEU 17 -0.927 -6.917 -1.112
145 HD13 LEU 17 3HD1 LEU 17 -2.638 -6.557 -1.292
146 HD21 LEU 17 3HD2 LEU 17 0.290 -4.385 -2.005
147 HD22 LEU 17 1HD2 LEU 17 0.293 -3.546 -0.448
148 HD23 LEU 17 2HD2 LEU 17 0.696 -5.269 -0.515
149 H PHE 18 H PHE 18 -4.069 -4.652 1.658
150 HA PHE 18 HA PHE 18 -5.275 -7.102 0.556
151 HB2 PHE 18 HB2 PHE 18 -5.216 -8.115 2.720
152 HB3 PHE 18 HB3 PHE 18 -3.675 -7.703 2.014
153 HD1 PHE 18 HD2 PHE 18 -6.177 -6.491 4.515
154 HD2 PHE 18 HD1 PHE 18 -2.047 -6.628 3.306
155 HE1 PHE 18 HE2 PHE 18 -5.495 -5.661 6.753
156 HE2 PHE 18 HE1 PHE 18 -1.360 -5.860 5.589
157 HZ PHE 18 HZ PHE 18 -3.086 -5.357 7.295
158 H SER 19 H SER 19 -6.382 -4.445 2.645
159 HA SER 19 HA SER 19 -8.828 -5.709 3.377
160 HB2 SER 19 HB2 SER 19 -7.438 -3.636 4.264
161 HB3 SER 19 HB3 SER 19 -8.700 -2.804 3.337
162 HG SER 19 HG SER 19 -8.978 -4.649 5.470
163 H GLN 20 H GLN 20 -7.985 -4.643 0.377
164 HA GLN 20 HA GLN 20 -10.447 -3.938 -0.939
165 HB2 GLN 20 HB2 GLN 20 -7.907 -5.393 -1.787
166 HB3 GLN 20 HB3 GLN 20 -9.137 -4.861 -2.904
167 HG2 GLN 20 HG2 GLN 20 -7.649 -3.011 -0.979
168 HG3 GLN 20 HG3 GLN 20 -7.032 -3.322 -2.578
169 HE21 GLN 20 2HE2 GLN 20 -7.572 -0.818 -1.559
170 HE22 GLN 20 1HE2 GLN 20 -8.932 -0.096 -2.430
171 H LEU 21 H LEU 21 -8.907 -7.061 -0.107
172 HA LEU 21 HA LEU 21 -10.969 -8.733 -1.179
173 HB2 LEU 21 HB2 LEU 21 -9.640 -10.362 -0.681
174 HB3 LEU 21 HB3 LEU 21 -8.467 -9.202 -0.119
175 HG LEU 21 HG LEU 21 -10.518 -10.596 1.673
176 HD11 LEU 21 1HD1 LEU 21 -7.595 -11.271 1.189
177 HD12 LEU 21 2HD1 LEU 21 -8.652 -12.007 2.411
178 HD13 LEU 21 3HD1 LEU 21 -8.999 -12.234 0.693
179 HD21 LEU 21 3HD2 LEU 21 -7.923 -9.223 2.461
180 HD22 LEU 21 1HD2 LEU 21 -9.490 -8.411 2.535
181 HD23 LEU 21 2HD2 LEU 21 -9.195 -9.844 3.531
182 H SER 22 H SER 22 -10.924 -6.863 1.756
183 HA SER 22 HA SER 22 -13.117 -8.373 2.992
184 HB2 SER 22 HB2 SER 22 -11.514 -7.326 4.503
185 HB3 SER 22 HB3 SER 22 -11.680 -5.812 3.714
186 HG SER 22 HG SER 22 -12.967 -5.920 5.643
187 H SER 23 H SER 23 -12.742 -5.244 1.340
188 HA SER 23 HA SER 23 -15.120 -4.071 1.907
189 HB2 SER 23 HB2 SER 23 -13.332 -2.896 0.844
190 HB3 SER 23 HB3 SER 23 -13.466 -3.879 -0.619
191 HG SER 23 HG SER 23 -15.563 -2.201 0.344
192 H VAL 24 H VAL 24 -14.902 -6.694 -0.393
193 HA VAL 24 HA VAL 24 -17.359 -6.109 -1.794
194 HB VAL 24 HB VAL 24 -16.897 -8.511 -2.549
195 HG11 VAL 24 1HG1 VAL 24 -16.232 -6.446 -3.779
196 HG12 VAL 24 2HG1 VAL 24 -14.688 -6.447 -2.905
197 HG13 VAL 24 3HG1 VAL 24 -15.079 -7.765 -4.041
198 HG21 VAL 24 3HG2 VAL 24 -15.474 -9.323 -0.693
199 HG22 VAL 24 1HG2 VAL 24 -14.703 -9.469 -2.274
200 HG23 VAL 24 2HG2 VAL 24 -14.202 -8.177 -1.191
201 H LYS 25 H LYS 25 -16.546 -8.024 1.020
202 HA LYS 25 HA LYS 25 -19.413 -8.796 1.240
203 HB2 LYS 25 HB2 LYS 25 -18.848 -10.713 2.475
204 HB3 LYS 25 HB3 LYS 25 -17.887 -10.694 1.000
205 HG2 LYS 25 HG2 LYS 25 -15.933 -9.805 2.356
206 HG3 LYS 25 HG3 LYS 25 -16.938 -9.993 3.812
207 HD2 LYS 25 HD2 LYS 25 -17.282 -12.437 3.080
208 HD3 LYS 25 HD3 LYS 25 -15.993 -12.172 1.897
209 HE2 LYS 25 HE2 LYS 25 -15.792 -11.843 4.916
210 HE3 LYS 25 HE3 LYS 25 -15.227 -13.248 3.994
211 HZ1 LYS 25 HZ1 LYS 25 -14.132 -10.503 3.961
212 HZ2 LYS 25 HZ2 LYS 25 -13.342 -11.853 4.348
213 HZ3 LYS 25 HZ3 LYS 25 -13.740 -11.620 2.778
214 H ALA 26 H ALA 26 -17.414 -6.520 2.307
215 HA ALA 26 HA ALA 26 -18.733 -6.031 4.923
216 HB1 ALA 26 HB1 ALA 26 -16.605 -6.448 6.182
217 HB2 ALA 26 HB2 ALA 26 -17.174 -7.910 5.383
218 HB3 ALA 26 HB3 ALA 26 -15.844 -6.968 4.680
219 H ARG 27 H ARG 27 -17.061 -4.364 6.182
220 HA ARG 27 HA ARG 27 -17.060 -1.943 4.656
221 HB2 ARG 27 HB2 ARG 27 -15.863 -2.675 7.351
222 HB3 ARG 27 HB3 ARG 27 -15.908 -1.018 6.717
223 HG2 ARG 27 HG2 ARG 27 -18.316 -1.066 6.524
224 HG3 ARG 27 HG3 ARG 27 -18.404 -2.749 7.016
225 HD2 ARG 27 HD2 ARG 27 -17.360 -2.132 9.216
226 HD3 ARG 27 HD3 ARG 27 -17.440 -0.440 8.724
227 HE ARG 27 HE ARG 27 -19.754 -0.435 9.175
228 HH11 ARG 27 1HH1 ARG 27 -18.753 -3.819 9.034
229 HH12 ARG 27 2HH1 ARG 27 -20.182 -4.333 9.884
230 HH21 ARG 27 1HH2 ARG 27 -21.646 -1.217 9.866
231 HH22 ARG 27 2HH2 ARG 27 -21.936 -2.950 9.898
232 H GLY 28 H GLY 28 -14.154 -3.788 5.755
233 HA2 GLY 28 HA2 GLY 28 -12.126 -4.117 4.663
234 HA3 GLY 28 HA3 GLY 28 -12.914 -3.547 3.195
235 H ILE 29 H ILE 29 -11.309 -2.273 2.351
236 HA ILE 29 HA ILE 29 -9.571 -0.552 3.655
237 HB ILE 29 HB ILE 29 -9.865 0.837 1.363
238 HG12 ILE 29 2HG1 ILE 29 -10.314 -0.591 -0.537
239 HG13 ILE 29 3HG1 ILE 29 -10.803 -1.933 0.480
240 HG21 ILE 29 1HG2 ILE 29 -8.493 -1.861 1.380
241 HG22 ILE 29 2HG2 ILE 29 -8.061 -0.396 0.490
242 HG23 ILE 29 3HG2 ILE 29 -7.887 -0.428 2.240
243 HD11 ILE 29 3HD1 ILE 29 -12.692 -0.670 -0.578
244 HD12 ILE 29 1HD1 ILE 29 -12.801 -0.615 1.189
245 HD13 ILE 29 2HD1 ILE 29 -12.192 0.792 0.287
246 H LYS 30 H LYS 30 -9.388 1.588 4.094
247 HA LYS 30 HA LYS 30 -11.902 2.938 4.796
248 HB2 LYS 30 HB2 LYS 30 -10.096 2.664 6.476
249 HB3 LYS 30 HB3 LYS 30 -8.995 3.579 5.444
250 HG2 LYS 30 HG2 LYS 30 -9.792 5.039 7.173
251 HG3 LYS 30 HG3 LYS 30 -10.476 5.557 5.635
252 HD2 LYS 30 HD2 LYS 30 -12.624 4.285 6.285
253 HD3 LYS 30 HD3 LYS 30 -11.873 4.007 7.863
254 HE2 LYS 30 HE2 LYS 30 -13.283 5.924 8.075
255 HE3 LYS 30 HE3 LYS 30 -11.612 6.512 8.085
256 HZ1 LYS 30 HZ1 LYS 30 -13.471 6.553 5.765
257 HZ2 LYS 30 HZ2 LYS 30 -13.014 7.847 6.651
258 HZ3 LYS 30 HZ3 LYS 30 -11.913 7.083 5.698
Start of MODEL 10
1 H1 MET 1 H1 MET 1 9.837 12.990 -5.839
2 H2 MET 1 H2 MET 1 10.174 14.438 -5.137
3 H3 MET 1 H3 MET 1 9.148 13.398 -4.393
4 HA MET 1 HA MET 1 12.012 12.895 -4.897
5 HB2 MET 1 HB2 MET 1 11.714 14.680 -3.252
6 HB3 MET 1 HB3 MET 1 10.563 13.697 -2.346
7 HG2 MET 1 HG2 MET 1 12.403 12.036 -1.928
8 HG3 MET 1 HG3 MET 1 13.537 13.167 -2.666
9 HE1 MET 1 HE1 MET 1 14.191 15.462 -1.621
10 HE2 MET 1 HE2 MET 1 12.519 16.042 -1.469
11 HE3 MET 1 HE3 MET 1 13.606 16.087 -0.067
12 H ARG 2 H ARG 2 12.742 10.801 -4.434
13 HA ARG 2 HA ARG 2 10.964 8.598 -4.073
14 HB2 ARG 2 HB2 ARG 2 13.071 8.284 -5.077
15 HB3 ARG 2 HB3 ARG 2 13.939 8.961 -3.702
16 HG2 ARG 2 HG2 ARG 2 13.394 7.063 -2.313
17 HG3 ARG 2 HG3 ARG 2 12.327 6.376 -3.558
18 HD2 ARG 2 HD2 ARG 2 14.187 5.975 -5.041
19 HD3 ARG 2 HD3 ARG 2 15.291 6.902 -4.003
20 HE ARG 2 HE ARG 2 14.499 5.040 -2.275
21 HH11 ARG 2 1HH1 ARG 2 15.583 4.533 -5.603
22 HH12 ARG 2 2HH1 ARG 2 16.345 3.018 -5.225
23 HH21 ARG 2 1HH2 ARG 2 15.560 3.092 -1.865
24 HH22 ARG 2 2HH2 ARG 2 16.253 2.209 -3.198
25 H LYS 3 H LYS 3 9.939 7.801 -2.410
26 HA LYS 3 HA LYS 3 10.639 8.560 0.390
27 HB2 LYS 3 HB2 LYS 3 8.401 9.423 0.803
28 HB3 LYS 3 HB3 LYS 3 9.108 10.283 -0.569
29 HG2 LYS 3 HG2 LYS 3 7.794 8.865 -2.143
30 HG3 LYS 3 HG3 LYS 3 7.131 7.970 -0.783
31 HD2 LYS 3 HD2 LYS 3 5.478 9.535 -1.532
32 HD3 LYS 3 HD3 LYS 3 6.026 9.991 0.078
33 HE2 LYS 3 HE2 LYS 3 5.706 11.946 -1.365
34 HE3 LYS 3 HE3 LYS 3 7.393 11.811 -0.852
35 HZ1 LYS 3 HZ1 LYS 3 7.973 10.969 -3.003
36 HZ2 LYS 3 HZ2 LYS 3 6.422 10.814 -3.485
37 HZ3 LYS 3 HZ3 LYS 3 7.103 12.305 -3.268
38 H HIS 4 H HIS 4 9.489 6.192 -1.648
39 HA HIS 4 HA HIS 4 8.409 4.507 0.570
40 HB2 HIS 4 HB2 HIS 4 8.351 4.067 -2.434
41 HB3 HIS 4 HB3 HIS 4 7.611 3.024 -1.220
42 HD2 HIS 4 HD2 HIS 4 6.234 5.316 0.625
43 HE1 HIS 4 HE1 HIS 4 4.170 6.453 -2.921
44 HE2 HIS 4 HE2 HIS 4 4.226 6.677 -0.403
45 H LEU 5 H LEU 5 9.104 2.245 0.660
46 HA LEU 5 HA LEU 5 11.787 1.545 -0.162
47 HB2 LEU 5 HB2 LEU 5 12.884 1.688 1.980
48 HB3 LEU 5 HB3 LEU 5 12.425 3.258 1.421
49 HG LEU 5 HG LEU 5 10.756 1.796 3.507
50 HD11 LEU 5 1HD1 LEU 5 13.159 3.632 3.880
51 HD12 LEU 5 2HD1 LEU 5 12.057 3.126 5.170
52 HD13 LEU 5 3HD1 LEU 5 13.047 1.915 4.348
53 HD21 LEU 5 3HD2 LEU 5 11.120 4.748 2.792
54 HD22 LEU 5 1HD2 LEU 5 9.635 3.789 2.591
55 HD23 LEU 5 2HD2 LEU 5 10.223 4.155 4.205
56 H GLY 6 H GLY 6 11.965 0.048 2.596
57 HA2 GLY 6 HA2 GLY 6 10.066 -2.152 2.189
58 HA3 GLY 6 HA3 GLY 6 11.770 -2.497 1.799
59 H GLY 7 H GLY 7 9.471 -1.731 4.301
60 HA2 GLY 7 HA2 GLY 7 11.025 -2.313 6.589
61 HA3 GLY 7 HA3 GLY 7 11.180 -0.603 6.217
62 H CYS 8 H CYS 8 10.038 -0.127 8.218
63 HA CYS 8 HA CYS 8 7.392 -0.651 8.905
64 HB2 CYS 8 HB2 CYS 8 9.201 1.785 9.144
65 HB3 CYS 8 HB3 CYS 8 7.551 1.800 9.754
66 HG CYS 8 HG CYS 8 10.262 0.362 10.821
67 H TRP 9 H TRP 9 8.434 1.312 6.141
68 HA TRP 9 HA TRP 9 6.069 2.731 5.594
69 HB2 TRP 9 HB2 TRP 9 7.795 3.355 4.263
70 HB3 TRP 9 HB3 TRP 9 8.408 1.730 4.098
71 HD1 TRP 9 HD1 TRP 9 7.914 0.394 2.111
72 HE1 TRP 9 HE1 TRP 9 6.454 0.581 -0.002
73 HE3 TRP 9 HE3 TRP 9 5.060 4.373 3.520
74 HZ2 TRP 9 HZ2 TRP 9 4.121 2.094 -0.811
75 HZ3 TRP 9 HZ3 TRP 9 3.087 5.038 2.164
76 HH2 TRP 9 HH2 TRP 9 2.611 3.916 0.005
77 H LEU 10 H LEU 10 6.796 -0.713 5.047
78 HA LEU 10 HA LEU 10 4.569 -1.277 3.319
79 HB2 LEU 10 HB2 LEU 10 6.132 -3.087 5.193
80 HB3 LEU 10 HB3 LEU 10 5.023 -3.658 3.948
81 HG LEU 10 HG LEU 10 7.516 -2.021 3.388
82 HD11 LEU 10 1HD1 LEU 10 8.124 -4.197 4.292
83 HD12 LEU 10 2HD1 LEU 10 7.031 -5.008 3.154
84 HD13 LEU 10 3HD1 LEU 10 8.474 -4.160 2.554
85 HD21 LEU 10 3HD2 LEU 10 5.666 -3.549 1.510
86 HD22 LEU 10 1HD2 LEU 10 5.857 -1.783 1.590
87 HD23 LEU 10 2HD2 LEU 10 7.201 -2.785 1.045
88 H ALA 11 H ALA 11 4.641 -0.729 6.769
89 HA ALA 11 HA ALA 11 2.326 -2.222 7.523
90 HB1 ALA 11 HB1 ALA 11 4.001 -1.105 9.043
91 HB2 ALA 11 HB2 ALA 11 3.310 0.463 8.579
92 HB3 ALA 11 HB3 ALA 11 2.310 -0.727 9.440
93 H ILE 12 H ILE 12 2.682 0.869 5.792
94 HA ILE 12 HA ILE 12 -0.157 1.595 5.909
95 HB ILE 12 HB ILE 12 2.167 2.644 4.225
96 HG12 ILE 12 2HG1 ILE 12 1.528 4.734 5.741
97 HG13 ILE 12 3HG1 ILE 12 0.846 3.527 6.822
98 HG21 ILE 12 1HG2 ILE 12 0.694 4.539 3.652
99 HG22 ILE 12 2HG2 ILE 12 0.074 3.038 2.996
100 HG23 ILE 12 3HG2 ILE 12 -0.670 3.736 4.458
101 HD11 ILE 12 3HD1 ILE 12 3.140 4.239 7.398
102 HD12 ILE 12 1HD1 ILE 12 3.119 2.508 7.045
103 HD13 ILE 12 2HD1 ILE 12 3.740 3.657 5.834
104 H VAL 13 H VAL 13 1.961 -0.133 3.664
105 HA VAL 13 HA VAL 13 -0.001 -0.395 1.538
106 HB VAL 13 HB VAL 13 2.458 -2.122 1.981
107 HG11 VAL 13 1HG1 VAL 13 0.901 -1.386 -0.539
108 HG12 VAL 13 2HG1 VAL 13 2.381 -2.365 -0.482
109 HG13 VAL 13 3HG1 VAL 13 0.897 -2.973 0.260
110 HG21 VAL 13 3HG2 VAL 13 3.642 -0.562 0.452
111 HG22 VAL 13 1HG2 VAL 13 2.254 0.540 0.519
112 HG23 VAL 13 2HG2 VAL 13 3.216 0.218 1.975
113 H CYS 14 H CYS 14 1.074 -2.525 4.193
114 HA CYS 14 HA CYS 14 -0.419 -4.826 3.620
115 HB2 CYS 14 HB2 CYS 14 0.486 -3.494 6.180
116 HB3 CYS 14 HB3 CYS 14 -0.356 -5.025 6.209
117 HG CYS 14 HG CYS 14 2.511 -4.099 4.877
118 H VAL 15 H VAL 15 -1.496 -2.098 5.694
119 HA VAL 15 HA VAL 15 -4.098 -3.254 6.054
120 HB VAL 15 HB VAL 15 -2.994 -1.821 7.583
121 HG11 VAL 15 1HG1 VAL 15 -3.012 0.642 7.331
122 HG12 VAL 15 2HG1 VAL 15 -2.042 -0.127 6.067
123 HG13 VAL 15 3HG1 VAL 15 -3.668 0.471 5.686
124 HG21 VAL 15 3HG2 VAL 15 -5.657 -0.649 6.593
125 HG22 VAL 15 1HG2 VAL 15 -5.503 -2.084 7.632
126 HG23 VAL 15 2HG2 VAL 15 -5.016 -0.491 8.247
127 H LEU 16 H LEU 16 -2.868 -1.114 3.559
128 HA LEU 16 HA LEU 16 -5.458 -0.553 2.379
129 HB2 LEU 16 HB2 LEU 16 -3.548 0.829 1.812
130 HB3 LEU 16 HB3 LEU 16 -2.559 -0.558 1.435
131 HG LEU 16 HG LEU 16 -3.971 -0.994 -0.594
132 HD11 LEU 16 1HD1 LEU 16 -5.995 0.265 0.153
133 HD12 LEU 16 2HD1 LEU 16 -5.082 1.777 0.066
134 HD13 LEU 16 3HD1 LEU 16 -5.395 0.842 -1.413
135 HD21 LEU 16 3HD2 LEU 16 -1.827 0.193 -0.727
136 HD22 LEU 16 1HD2 LEU 16 -2.988 0.857 -1.888
137 HD23 LEU 16 2HD2 LEU 16 -2.644 1.737 -0.373
138 H LEU 17 H LEU 17 -2.972 -3.116 2.038
139 HA LEU 17 HA LEU 17 -4.191 -4.190 -0.296
140 HB2 LEU 17 HB2 LEU 17 -2.453 -5.534 -0.570
141 HB3 LEU 17 HB3 LEU 17 -1.770 -4.281 0.427
142 HG LEU 17 HG LEU 17 -2.210 -5.921 2.384
143 HD11 LEU 17 1HD1 LEU 17 -1.978 -8.329 1.745
144 HD12 LEU 17 2HD1 LEU 17 -3.528 -7.682 1.233
145 HD13 LEU 17 3HD1 LEU 17 -2.228 -7.882 0.044
146 HD21 LEU 17 3HD2 LEU 17 0.022 -5.294 1.466
147 HD22 LEU 17 1HD2 LEU 17 -0.040 -6.980 2.031
148 HD23 LEU 17 2HD2 LEU 17 -0.118 -6.610 0.291
149 H PHE 18 H PHE 18 -4.759 -5.013 3.075
150 HA PHE 18 HA PHE 18 -6.454 -7.307 2.229
151 HB2 PHE 18 HB2 PHE 18 -6.794 -7.824 4.486
152 HB3 PHE 18 HB3 PHE 18 -5.085 -7.652 4.157
153 HD1 PHE 18 HD2 PHE 18 -8.012 -5.899 5.623
154 HD2 PHE 18 HD1 PHE 18 -3.734 -6.260 5.571
155 HE1 PHE 18 HE2 PHE 18 -7.888 -4.737 7.836
156 HE2 PHE 18 HE1 PHE 18 -3.605 -5.152 7.793
157 HZ PHE 18 HZ PHE 18 -5.681 -4.387 8.931
158 H SER 19 H SER 19 -6.831 -3.971 3.418
159 HA SER 19 HA SER 19 -9.650 -4.040 3.850
160 HB2 SER 19 HB2 SER 19 -7.766 -1.826 2.986
161 HB3 SER 19 HB3 SER 19 -9.477 -1.546 3.420
162 HG SER 19 HG SER 19 -7.279 -2.192 4.957
163 H GLN 20 H GLN 20 -7.807 -3.481 0.895
164 HA GLN 20 HA GLN 20 -10.089 -2.840 -0.788
165 HB2 GLN 20 HB2 GLN 20 -7.291 -3.783 -1.484
166 HB3 GLN 20 HB3 GLN 20 -8.435 -3.126 -2.639
167 HG2 GLN 20 HG2 GLN 20 -7.699 -1.506 -0.173
168 HG3 GLN 20 HG3 GLN 20 -6.522 -1.647 -1.472
169 HE21 GLN 20 2HE2 GLN 20 -8.334 0.511 -0.176
170 HE22 GLN 20 1HE2 GLN 20 -8.832 1.417 -1.590
171 H LEU 21 H LEU 21 -8.159 -5.784 -0.350
172 HA LEU 21 HA LEU 21 -9.687 -7.671 -1.822
173 HB2 LEU 21 HB2 LEU 21 -7.661 -8.415 -1.134
174 HB3 LEU 21 HB3 LEU 21 -7.719 -7.641 0.427
175 HG LEU 21 HG LEU 21 -9.412 -10.085 -0.106
176 HD11 LEU 21 1HD1 LEU 21 -6.518 -10.000 0.820
177 HD12 LEU 21 2HD1 LEU 21 -7.580 -11.427 0.858
178 HD13 LEU 21 3HD1 LEU 21 -7.136 -10.706 -0.692
179 HD21 LEU 21 3HD2 LEU 21 -9.771 -8.712 2.049
180 HD22 LEU 21 1HD2 LEU 21 -9.236 -10.373 2.325
181 HD23 LEU 21 2HD2 LEU 21 -8.093 -9.030 2.452
182 H SER 22 H SER 22 -10.449 -6.167 1.235
183 HA SER 22 HA SER 22 -12.390 -8.194 1.992
184 HB2 SER 22 HB2 SER 22 -10.970 -7.145 3.710
185 HB3 SER 22 HB3 SER 22 -11.429 -5.593 3.184
186 HG SER 22 HG SER 22 -12.486 -6.500 5.120
187 H SER 23 H SER 23 -12.645 -4.774 0.953
188 HA SER 23 HA SER 23 -15.180 -4.343 2.024
189 HB2 SER 23 HB2 SER 23 -13.351 -2.702 1.073
190 HB3 SER 23 HB3 SER 23 -14.294 -2.794 -0.407
191 HG SER 23 HG SER 23 -15.263 -2.031 2.175
192 H VAL 24 H VAL 24 -14.569 -6.076 -0.888
193 HA VAL 24 HA VAL 24 -16.972 -5.642 -2.312
194 HB VAL 24 HB VAL 24 -16.230 -7.752 -3.398
195 HG11 VAL 24 1HG1 VAL 24 -15.240 -5.540 -4.040
196 HG12 VAL 24 2HG1 VAL 24 -13.882 -5.859 -2.938
197 HG13 VAL 24 3HG1 VAL 24 -14.138 -6.893 -4.356
198 HG21 VAL 24 3HG2 VAL 24 -13.975 -7.866 -1.363
199 HG22 VAL 24 1HG2 VAL 24 -15.257 -9.076 -1.629
200 HG23 VAL 24 2HG2 VAL 24 -14.050 -8.793 -2.862
201 H LYS 25 H LYS 25 -16.167 -7.859 0.229
202 HA LYS 25 HA LYS 25 -18.916 -8.981 0.131
203 HB2 LYS 25 HB2 LYS 25 -18.024 -11.068 0.975
204 HB3 LYS 25 HB3 LYS 25 -17.200 -10.626 -0.509
205 HG2 LYS 25 HG2 LYS 25 -15.218 -9.900 0.719
206 HG3 LYS 25 HG3 LYS 25 -16.051 -10.086 2.276
207 HD2 LYS 25 HD2 LYS 25 -16.260 -12.505 1.927
208 HD3 LYS 25 HD3 LYS 25 -15.490 -12.359 0.328
209 HE2 LYS 25 HE2 LYS 25 -13.435 -11.540 1.335
210 HE3 LYS 25 HE3 LYS 25 -14.164 -11.514 2.946
211 HZ1 LYS 25 HZ1 LYS 25 -14.041 -14.030 1.410
212 HZ2 LYS 25 HZ2 LYS 25 -12.749 -13.540 2.302
213 HZ3 LYS 25 HZ3 LYS 25 -14.212 -13.840 3.013
214 H ALA 26 H ALA 26 -17.241 -6.807 1.719
215 HA ALA 26 HA ALA 26 -18.472 -7.123 4.378
216 HB1 ALA 26 HB1 ALA 26 -16.548 -8.779 4.360
217 HB2 ALA 26 HB2 ALA 26 -15.451 -7.412 4.072
218 HB3 ALA 26 HB3 ALA 26 -16.377 -7.513 5.579
219 H ARG 27 H ARG 27 -16.754 -5.556 5.875
220 HA ARG 27 HA ARG 27 -17.383 -2.877 4.889
221 HB2 ARG 27 HB2 ARG 27 -15.811 -3.678 7.371
222 HB3 ARG 27 HB3 ARG 27 -16.562 -2.118 7.042
223 HG2 ARG 27 HG2 ARG 27 -18.814 -3.215 6.988
224 HG3 ARG 27 HG3 ARG 27 -18.049 -4.728 7.503
225 HD2 ARG 27 HD2 ARG 27 -18.061 -2.099 9.013
226 HD3 ARG 27 HD3 ARG 27 -19.025 -3.537 9.418
227 HE ARG 27 HE ARG 27 -16.431 -4.492 9.439
228 HH11 ARG 27 1HH1 ARG 27 -18.183 -2.241 11.469
229 HH12 ARG 27 2HH1 ARG 27 -16.790 -1.929 12.478
230 HH21 ARG 27 1HH2 ARG 27 -14.694 -4.014 10.698
231 HH22 ARG 27 2HH2 ARG 27 -14.948 -3.143 12.211
232 H GLY 28 H GLY 28 -14.232 -4.449 5.699
233 HA2 GLY 28 HA2 GLY 28 -12.124 -4.228 4.691
234 HA3 GLY 28 HA3 GLY 28 -13.031 -3.784 3.273
235 H ILE 29 H ILE 29 -12.538 -1.988 2.388
236 HA ILE 29 HA ILE 29 -10.921 0.153 3.058
237 HB ILE 29 HB ILE 29 -13.387 -0.047 1.315
238 HG12 ILE 29 2HG1 ILE 29 -10.457 0.117 0.527
239 HG13 ILE 29 3HG1 ILE 29 -11.245 -1.402 0.792
240 HG21 ILE 29 1HG2 ILE 29 -13.031 2.394 1.840
241 HG22 ILE 29 2HG2 ILE 29 -11.399 2.243 1.163
242 HG23 ILE 29 3HG2 ILE 29 -12.824 1.991 0.150
243 HD11 ILE 29 3HD1 ILE 29 -12.921 -0.857 -0.989
244 HD12 ILE 29 1HD1 ILE 29 -11.968 0.595 -1.360
245 HD13 ILE 29 2HD1 ILE 29 -11.240 -0.996 -1.563
246 H LYS 30 H LYS 30 -11.003 1.967 4.185
247 HA LYS 30 HA LYS 30 -13.555 3.019 5.281
248 HB2 LYS 30 HB2 LYS 30 -12.581 3.477 7.446
249 HB3 LYS 30 HB3 LYS 30 -12.582 1.752 7.115
250 HG2 LYS 30 HG2 LYS 30 -10.181 1.795 6.584
251 HG3 LYS 30 HG3 LYS 30 -10.130 3.551 6.814
252 HD2 LYS 30 HD2 LYS 30 -10.952 1.597 9.002
253 HD3 LYS 30 HD3 LYS 30 -9.285 2.127 8.755
254 HE2 LYS 30 HE2 LYS 30 -9.870 4.450 9.171
255 HE3 LYS 30 HE3 LYS 30 -11.590 4.065 9.252
256 HZ1 LYS 30 HZ1 LYS 30 -11.237 2.824 11.228
257 HZ2 LYS 30 HZ2 LYS 30 -9.593 2.965 11.164
258 HZ3 LYS 30 HZ3 LYS 30 -10.516 4.288 11.448
Start of MODEL 11
1 H1 MET 1 H1 MET 1 12.286 13.322 -4.580
2 H2 MET 1 H2 MET 1 12.421 12.283 -5.827
3 H3 MET 1 H3 MET 1 13.445 13.577 -5.737
4 HA MET 1 HA MET 1 14.667 11.678 -5.101
5 HB2 MET 1 HB2 MET 1 14.737 13.978 -3.830
6 HB3 MET 1 HB3 MET 1 14.027 13.082 -2.490
7 HG2 MET 1 HG2 MET 1 16.582 12.271 -3.946
8 HG3 MET 1 HG3 MET 1 16.556 13.361 -2.564
9 HE1 MET 1 HE1 MET 1 18.380 10.821 -2.763
10 HE2 MET 1 HE2 MET 1 18.374 11.923 -1.364
11 HE3 MET 1 HE3 MET 1 18.232 10.168 -1.117
12 H ARG 2 H ARG 2 14.773 9.666 -4.070
13 HA ARG 2 HA ARG 2 12.327 8.291 -3.617
14 HB2 ARG 2 HB2 ARG 2 14.234 7.104 -4.390
15 HB3 ARG 2 HB3 ARG 2 15.210 7.594 -2.997
16 HG2 ARG 2 HG2 ARG 2 13.901 6.237 -1.486
17 HG3 ARG 2 HG3 ARG 2 12.728 5.834 -2.747
18 HD2 ARG 2 HD2 ARG 2 15.646 5.161 -3.149
19 HD3 ARG 2 HD3 ARG 2 14.701 4.185 -2.038
20 HE ARG 2 HE ARG 2 14.403 4.327 -4.979
21 HH11 ARG 2 1HH1 ARG 2 12.791 3.167 -2.041
22 HH12 ARG 2 2HH1 ARG 2 12.512 1.605 -2.781
23 HH21 ARG 2 1HH2 ARG 2 13.810 2.379 -5.815
24 HH22 ARG 2 2HH2 ARG 2 12.690 1.346 -4.957
25 H LYS 3 H LYS 3 11.075 7.955 -2.000
26 HA LYS 3 HA LYS 3 11.903 8.387 0.829
27 HB2 LYS 3 HB2 LYS 3 9.855 9.621 1.304
28 HB3 LYS 3 HB3 LYS 3 10.810 10.419 0.060
29 HG2 LYS 3 HG2 LYS 3 9.274 9.293 -1.680
30 HG3 LYS 3 HG3 LYS 3 8.284 8.748 -0.333
31 HD2 LYS 3 HD2 LYS 3 7.319 10.750 -1.306
32 HD3 LYS 3 HD3 LYS 3 7.873 11.096 0.330
33 HE2 LYS 3 HE2 LYS 3 8.426 12.960 -1.147
34 HE3 LYS 3 HE3 LYS 3 9.901 12.194 -0.560
35 HZ1 LYS 3 HZ1 LYS 3 9.935 10.961 -2.758
36 HZ2 LYS 3 HZ2 LYS 3 8.726 11.933 -3.280
37 HZ3 LYS 3 HZ3 LYS 3 10.169 12.559 -2.870
38 H HIS 4 H HIS 4 10.560 6.269 -1.317
39 HA HIS 4 HA HIS 4 9.180 4.710 0.821
40 HB2 HIS 4 HB2 HIS 4 9.157 4.358 -2.187
41 HB3 HIS 4 HB3 HIS 4 8.340 3.303 -1.038
42 HD2 HIS 4 HD2 HIS 4 7.201 5.781 0.884
43 HE1 HIS 4 HE1 HIS 4 4.944 6.734 -2.595
44 HE2 HIS 4 HE2 HIS 4 5.131 7.074 -0.078
45 H LEU 5 H LEU 5 9.489 2.431 0.967
46 HA LEU 5 HA LEU 5 12.112 1.265 0.511
47 HB2 LEU 5 HB2 LEU 5 12.903 1.394 2.774
48 HB3 LEU 5 HB3 LEU 5 12.739 2.985 2.110
49 HG LEU 5 HG LEU 5 10.653 1.825 4.010
50 HD11 LEU 5 1HD1 LEU 5 11.857 3.169 5.749
51 HD12 LEU 5 2HD1 LEU 5 12.790 1.784 5.159
52 HD13 LEU 5 3HD1 LEU 5 13.163 3.426 4.593
53 HD21 LEU 5 3HD2 LEU 5 10.269 4.256 4.519
54 HD22 LEU 5 1HD2 LEU 5 11.373 4.685 3.202
55 HD23 LEU 5 2HD2 LEU 5 9.839 3.840 2.872
56 H GLY 6 H GLY 6 11.644 -0.162 3.295
57 HA2 GLY 6 HA2 GLY 6 9.307 -1.879 2.572
58 HA3 GLY 6 HA3 GLY 6 10.925 -2.571 2.673
59 H GLY 7 H GLY 7 10.821 -0.247 5.085
60 HA2 GLY 7 HA2 GLY 7 10.362 -2.136 7.252
61 HA3 GLY 7 HA3 GLY 7 10.788 -0.434 7.381
62 H CYS 8 H CYS 8 9.290 0.240 8.861
63 HA CYS 8 HA CYS 8 6.548 -0.202 9.134
64 HB2 CYS 8 HB2 CYS 8 8.279 2.276 9.526
65 HB3 CYS 8 HB3 CYS 8 6.570 2.212 9.968
66 HG CYS 8 HG CYS 8 9.124 0.387 11.000
67 H TRP 9 H TRP 9 8.093 1.664 6.551
68 HA TRP 9 HA TRP 9 5.870 3.114 5.585
69 HB2 TRP 9 HB2 TRP 9 7.773 3.669 4.442
70 HB3 TRP 9 HB3 TRP 9 8.403 2.043 4.500
71 HD1 TRP 9 HD1 TRP 9 8.055 0.447 2.612
72 HE1 TRP 9 HE1 TRP 9 6.926 0.468 0.303
73 HE3 TRP 9 HE3 TRP 9 5.292 4.683 3.178
74 HZ2 TRP 9 HZ2 TRP 9 4.860 1.999 -1.002
75 HZ3 TRP 9 HZ3 TRP 9 3.553 5.254 1.505
76 HH2 TRP 9 HH2 TRP 9 3.337 3.934 -0.586
77 H LEU 10 H LEU 10 6.675 -0.354 5.143
78 HA LEU 10 HA LEU 10 4.926 -0.736 2.936
79 HB2 LEU 10 HB2 LEU 10 6.988 -1.902 3.398
80 HB3 LEU 10 HB3 LEU 10 6.343 -2.584 4.895
81 HG LEU 10 HG LEU 10 4.718 -3.865 3.638
82 HD11 LEU 10 1HD1 LEU 10 6.173 -2.840 1.159
83 HD12 LEU 10 2HD1 LEU 10 4.982 -4.159 1.169
84 HD13 LEU 10 3HD1 LEU 10 4.478 -2.517 1.582
85 HD21 LEU 10 3HD2 LEU 10 6.327 -5.501 2.680
86 HD22 LEU 10 1HD2 LEU 10 7.597 -4.259 2.718
87 HD23 LEU 10 2HD2 LEU 10 6.885 -4.862 4.232
88 H ALA 11 H ALA 11 4.315 -0.657 6.333
89 HA ALA 11 HA ALA 11 1.872 -2.120 6.521
90 HB1 ALA 11 HB1 ALA 11 3.263 -1.270 8.418
91 HB2 ALA 11 HB2 ALA 11 2.781 0.385 7.996
92 HB3 ALA 11 HB3 ALA 11 1.557 -0.786 8.530
93 H ILE 12 H ILE 12 2.597 0.903 4.859
94 HA ILE 12 HA ILE 12 -0.204 1.848 4.839
95 HB ILE 12 HB ILE 12 2.307 2.789 3.408
96 HG12 ILE 12 2HG1 ILE 12 1.464 4.967 4.613
97 HG13 ILE 12 3HG1 ILE 12 0.440 3.902 5.560
98 HG21 ILE 12 1HG2 ILE 12 -0.517 3.850 3.012
99 HG22 ILE 12 2HG2 ILE 12 0.973 4.617 2.433
100 HG23 ILE 12 3HG2 ILE 12 0.494 3.065 1.773
101 HD11 ILE 12 3HD1 ILE 12 3.489 3.871 5.399
102 HD12 ILE 12 1HD1 ILE 12 2.497 4.466 6.745
103 HD13 ILE 12 2HD1 ILE 12 2.528 2.741 6.383
104 H VAL 13 H VAL 13 1.948 0.122 2.584
105 HA VAL 13 HA VAL 13 -0.116 -0.262 0.591
106 HB VAL 13 HB VAL 13 2.311 -2.036 0.830
107 HG11 VAL 13 1HG1 VAL 13 2.136 -2.053 -1.633
108 HG12 VAL 13 2HG1 VAL 13 0.635 -2.603 -0.895
109 HG13 VAL 13 3HG1 VAL 13 0.741 -0.957 -1.556
110 HG21 VAL 13 3HG2 VAL 13 2.263 0.774 -0.344
111 HG22 VAL 13 1HG2 VAL 13 3.259 0.204 1.017
112 HG23 VAL 13 2HG2 VAL 13 3.550 -0.423 -0.601
113 H CYS 14 H CYS 14 1.093 -2.282 3.261
114 HA CYS 14 HA CYS 14 -0.309 -4.657 2.761
115 HB2 CYS 14 HB2 CYS 14 0.426 -3.249 5.344
116 HB3 CYS 14 HB3 CYS 14 -0.287 -4.848 5.325
117 HG CYS 14 HG CYS 14 2.490 -3.720 4.032
118 H VAL 15 H VAL 15 -1.492 -2.045 4.961
119 HA VAL 15 HA VAL 15 -3.985 -3.367 5.317
120 HB VAL 15 HB VAL 15 -2.924 -1.754 6.794
121 HG11 VAL 15 1HG1 VAL 15 -3.362 0.645 6.512
122 HG12 VAL 15 2HG1 VAL 15 -2.439 0.032 5.117
123 HG13 VAL 15 3HG1 VAL 15 -4.180 0.345 4.968
124 HG21 VAL 15 3HG2 VAL 15 -5.081 -0.743 7.583
125 HG22 VAL 15 1HG2 VAL 15 -5.807 -1.077 5.991
126 HG23 VAL 15 2HG2 VAL 15 -5.336 -2.417 7.067
127 H LEU 16 H LEU 16 -3.004 -1.114 2.833
128 HA LEU 16 HA LEU 16 -5.650 -0.628 1.806
129 HB2 LEU 16 HB2 LEU 16 -3.847 0.862 1.178
130 HB3 LEU 16 HB3 LEU 16 -2.792 -0.471 0.752
131 HG LEU 16 HG LEU 16 -4.238 -0.961 -1.236
132 HD11 LEU 16 1HD1 LEU 16 -5.795 0.782 -1.998
133 HD12 LEU 16 2HD1 LEU 16 -6.303 0.182 -0.408
134 HD13 LEU 16 3HD1 LEU 16 -5.476 1.742 -0.535
135 HD21 LEU 16 3HD2 LEU 16 -3.394 0.923 -2.561
136 HD22 LEU 16 1HD2 LEU 16 -3.047 1.830 -1.074
137 HD23 LEU 16 2HD2 LEU 16 -2.161 0.332 -1.434
138 H LEU 17 H LEU 17 -3.071 -3.048 1.239
139 HA LEU 17 HA LEU 17 -4.459 -4.165 -1.015
140 HB2 LEU 17 HB2 LEU 17 -2.643 -5.347 -1.527
141 HB3 LEU 17 HB3 LEU 17 -1.979 -4.018 -0.617
142 HG LEU 17 HG LEU 17 -2.024 -5.675 1.393
143 HD11 LEU 17 1HD1 LEU 17 -1.595 -8.041 0.736
144 HD12 LEU 17 2HD1 LEU 17 -3.246 -7.573 0.365
145 HD13 LEU 17 3HD1 LEU 17 -2.044 -7.649 -0.936
146 HD21 LEU 17 3HD2 LEU 17 -0.093 -6.056 -0.926
147 HD22 LEU 17 1HD2 LEU 17 0.017 -4.799 0.325
148 HD23 LEU 17 2HD2 LEU 17 0.215 -6.502 0.769
149 H PHE 18 H PHE 18 -4.772 -4.898 2.378
150 HA PHE 18 HA PHE 18 -6.372 -7.301 1.628
151 HB2 PHE 18 HB2 PHE 18 -6.537 -7.886 3.956
152 HB3 PHE 18 HB3 PHE 18 -4.922 -7.938 3.277
153 HD1 PHE 18 HD1 PHE 18 -7.176 -5.869 5.383
154 HD2 PHE 18 HD2 PHE 18 -3.119 -6.778 4.337
155 HE1 PHE 18 HE1 PHE 18 -6.394 -4.703 7.439
156 HE2 PHE 18 HE2 PHE 18 -2.327 -5.644 6.394
157 HZ PHE 18 HZ PHE 18 -3.962 -4.600 7.956
158 H SER 19 H SER 19 -6.776 -4.128 3.208
159 HA SER 19 HA SER 19 -9.472 -4.586 4.002
160 HB2 SER 19 HB2 SER 19 -8.023 -2.028 3.289
161 HB3 SER 19 HB3 SER 19 -9.585 -2.128 4.162
162 HG SER 19 HG SER 19 -7.013 -2.784 4.951
163 H GLN 20 H GLN 20 -8.131 -3.466 0.903
164 HA GLN 20 HA GLN 20 -10.614 -2.873 -0.430
165 HB2 GLN 20 HB2 GLN 20 -7.929 -3.823 -1.480
166 HB3 GLN 20 HB3 GLN 20 -9.221 -3.199 -2.491
167 HG2 GLN 20 HG2 GLN 20 -8.170 -1.517 -0.177
168 HG3 GLN 20 HG3 GLN 20 -7.217 -1.666 -1.653
169 HE21 GLN 20 2HE2 GLN 20 -8.680 0.605 -0.276
170 HE22 GLN 20 1HE2 GLN 20 -9.446 1.369 -1.666
171 H LEU 21 H LEU 21 -8.612 -5.840 -0.360
172 HA LEU 21 HA LEU 21 -10.232 -7.634 -1.802
173 HB2 LEU 21 HB2 LEU 21 -8.286 -8.580 -1.438
174 HB3 LEU 21 HB3 LEU 21 -7.960 -7.740 0.049
175 HG LEU 21 HG LEU 21 -9.845 -10.123 0.001
176 HD11 LEU 21 1HD1 LEU 21 -7.911 -11.517 0.613
177 HD12 LEU 21 2HD1 LEU 21 -7.729 -10.834 -1.009
178 HD13 LEU 21 3HD1 LEU 21 -6.822 -10.134 0.349
179 HD21 LEU 21 3HD2 LEU 21 -9.775 -8.739 2.131
180 HD22 LEU 21 1HD2 LEU 21 -9.126 -10.362 2.350
181 HD23 LEU 21 2HD2 LEU 21 -8.032 -8.977 2.185
182 H SER 22 H SER 22 -10.589 -6.598 1.532
183 HA SER 22 HA SER 22 -12.699 -8.499 2.123
184 HB2 SER 22 HB2 SER 22 -10.978 -7.382 3.746
185 HB3 SER 22 HB3 SER 22 -11.888 -5.980 3.562
186 HG SER 22 HG SER 22 -12.685 -8.530 4.530
187 H SER 23 H SER 23 -12.613 -5.091 1.154
188 HA SER 23 HA SER 23 -15.127 -4.263 2.035
189 HB2 SER 23 HB2 SER 23 -13.393 -2.732 1.445
190 HB3 SER 23 HB3 SER 23 -13.395 -3.252 -0.243
191 HG SER 23 HG SER 23 -15.099 -2.091 -0.636
192 H VAL 24 H VAL 24 -14.586 -6.302 -0.753
193 HA VAL 24 HA VAL 24 -17.018 -5.749 -2.059
194 HB VAL 24 HB VAL 24 -16.623 -7.703 -3.274
195 HG11 VAL 24 1HG1 VAL 24 -15.064 -5.772 -3.698
196 HG12 VAL 24 2HG1 VAL 24 -13.843 -6.596 -2.704
197 HG13 VAL 24 3HG1 VAL 24 -14.422 -7.336 -4.206
198 HG21 VAL 24 3HG2 VAL 24 -14.612 -8.610 -1.207
199 HG22 VAL 24 1HG2 VAL 24 -16.072 -9.467 -1.788
200 HG23 VAL 24 2HG2 VAL 24 -14.695 -9.274 -2.848
201 H LYS 25 H LYS 25 -16.326 -8.470 0.152
202 HA LYS 25 HA LYS 25 -19.189 -8.978 0.322
203 HB2 LYS 25 HB2 LYS 25 -18.542 -11.031 1.496
204 HB3 LYS 25 HB3 LYS 25 -17.590 -10.828 0.023
205 HG2 LYS 25 HG2 LYS 25 -15.715 -9.866 1.430
206 HG3 LYS 25 HG3 LYS 25 -16.680 -10.227 2.873
207 HD2 LYS 25 HD2 LYS 25 -16.658 -12.641 2.266
208 HD3 LYS 25 HD3 LYS 25 -15.669 -12.250 0.838
209 HE2 LYS 25 HE2 LYS 25 -13.958 -11.218 2.320
210 HE3 LYS 25 HE3 LYS 25 -14.931 -11.637 3.739
211 HZ1 LYS 25 HZ1 LYS 25 -13.196 -13.235 3.382
212 HZ2 LYS 25 HZ2 LYS 25 -14.644 -13.952 3.211
213 HZ3 LYS 25 HZ3 LYS 25 -13.730 -13.595 1.862
214 H ALA 26 H ALA 26 -17.225 -6.949 1.928
215 HA ALA 26 HA ALA 26 -18.722 -6.973 4.512
216 HB1 ALA 26 HB1 ALA 26 -15.740 -7.613 4.253
217 HB2 ALA 26 HB2 ALA 26 -16.626 -7.466 5.771
218 HB3 ALA 26 HB3 ALA 26 -17.013 -8.783 4.671
219 H ARG 27 H ARG 27 -17.290 -5.519 6.134
220 HA ARG 27 HA ARG 27 -17.449 -2.854 5.094
221 HB2 ARG 27 HB2 ARG 27 -16.303 -3.899 7.716
222 HB3 ARG 27 HB3 ARG 27 -16.449 -2.188 7.299
223 HG2 ARG 27 HG2 ARG 27 -18.988 -2.930 6.745
224 HG3 ARG 27 HG3 ARG 27 -18.598 -4.132 7.979
225 HD2 ARG 27 HD2 ARG 27 -19.510 -2.332 9.175
226 HD3 ARG 27 HD3 ARG 27 -17.758 -2.131 9.387
227 HE ARG 27 HE ARG 27 -17.946 -0.482 7.392
228 HH11 ARG 27 1HH1 ARG 27 -20.750 -0.856 9.553
229 HH12 ARG 27 2HH1 ARG 27 -21.076 0.862 9.425
230 HH21 ARG 27 1HH2 ARG 27 -18.622 1.698 7.282
231 HH22 ARG 27 2HH2 ARG 27 -19.974 2.147 8.302
232 H GLY 28 H GLY 28 -14.528 -4.817 5.771
233 HA2 GLY 28 HA2 GLY 28 -12.358 -4.611 4.931
234 HA3 GLY 28 HA3 GLY 28 -13.166 -3.929 3.521
235 H ILE 29 H ILE 29 -12.391 -2.097 2.899
236 HA ILE 29 HA ILE 29 -10.554 -0.390 3.816
237 HB ILE 29 HB ILE 29 -13.023 0.370 2.252
238 HG12 ILE 29 2HG1 ILE 29 -10.291 -0.295 1.091
239 HG13 ILE 29 3HG1 ILE 29 -11.480 -1.544 1.343
240 HG21 ILE 29 1HG2 ILE 29 -11.584 2.176 1.272
241 HG22 ILE 29 2HG2 ILE 29 -11.886 2.409 2.983
242 HG23 ILE 29 3HG2 ILE 29 -10.324 1.773 2.448
243 HD11 ILE 29 3HD1 ILE 29 -11.744 -0.879 -0.913
244 HD12 ILE 29 1HD1 ILE 29 -13.136 -0.218 -0.044
245 HD13 ILE 29 2HD1 ILE 29 -11.790 0.841 -0.498
246 H LYS 30 H LYS 30 -10.187 1.157 5.188
247 HA LYS 30 HA LYS 30 -12.415 2.750 6.403
248 HB2 LYS 30 HB2 LYS 30 -9.777 1.993 7.688
249 HB3 LYS 30 HB3 LYS 30 -10.891 3.196 8.332
250 HG2 LYS 30 HG2 LYS 30 -12.579 1.532 8.781
251 HG3 LYS 30 HG3 LYS 30 -11.650 0.271 7.939
252 HD2 LYS 30 HD2 LYS 30 -9.832 0.454 9.563
253 HD3 LYS 30 HD3 LYS 30 -10.674 1.759 10.416
254 HE2 LYS 30 HE2 LYS 30 -12.447 0.264 11.125
255 HE3 LYS 30 HE3 LYS 30 -11.849 -1.019 10.067
256 HZ1 LYS 30 HZ1 LYS 30 -9.850 -1.157 11.386
257 HZ2 LYS 30 HZ2 LYS 30 -10.324 0.046 12.372
258 HZ3 LYS 30 HZ3 LYS 30 -11.131 -1.382 12.384
Start of MODEL 12
1 H1 MET 1 H1 MET 1 19.651 6.904 -4.374
2 H2 MET 1 H2 MET 1 18.555 7.771 -5.259
3 H3 MET 1 H3 MET 1 18.462 6.125 -5.179
4 HA MET 1 HA MET 1 17.967 6.169 -2.868
5 HB2 MET 1 HB2 MET 1 17.920 9.190 -3.218
6 HB3 MET 1 HB3 MET 1 17.376 8.309 -1.783
7 HG2 MET 1 HG2 MET 1 19.688 7.420 -1.501
8 HG3 MET 1 HG3 MET 1 20.216 8.460 -2.833
9 HE1 MET 1 HE1 MET 1 19.832 12.071 -1.360
10 HE2 MET 1 HE2 MET 1 20.366 11.089 -2.737
11 HE3 MET 1 HE3 MET 1 18.632 11.238 -2.367
12 H ARG 2 H ARG 2 15.788 6.220 -2.138
13 HA ARG 2 HA ARG 2 13.731 7.540 -3.783
14 HB2 ARG 2 HB2 ARG 2 12.414 5.503 -4.129
15 HB3 ARG 2 HB3 ARG 2 13.938 5.461 -5.007
16 HG2 ARG 2 HG2 ARG 2 14.930 3.930 -3.380
17 HG3 ARG 2 HG3 ARG 2 13.513 4.058 -2.330
18 HD2 ARG 2 HD2 ARG 2 13.493 2.896 -5.135
19 HD3 ARG 2 HD3 ARG 2 13.567 1.965 -3.644
20 HE ARG 2 HE ARG 2 11.288 3.752 -4.437
21 HH11 ARG 2 1HH1 ARG 2 12.193 0.612 -3.099
22 HH12 ARG 2 2HH1 ARG 2 10.519 0.272 -2.689
23 HH21 ARG 2 1HH2 ARG 2 9.397 3.373 -3.672
24 HH22 ARG 2 2HH2 ARG 2 8.920 1.776 -3.101
25 H LYS 3 H LYS 3 11.740 7.769 -2.803
26 HA LYS 3 HA LYS 3 11.957 8.420 -0.074
27 HB2 LYS 3 HB2 LYS 3 10.553 9.600 -1.728
28 HB3 LYS 3 HB3 LYS 3 9.482 8.203 -1.826
29 HG2 LYS 3 HG2 LYS 3 8.817 8.493 0.516
30 HG3 LYS 3 HG3 LYS 3 9.936 9.846 0.708
31 HD2 LYS 3 HD2 LYS 3 7.696 9.856 -1.365
32 HD3 LYS 3 HD3 LYS 3 7.444 10.349 0.308
33 HE2 LYS 3 HE2 LYS 3 9.115 12.117 0.124
34 HE3 LYS 3 HE3 LYS 3 9.469 11.654 -1.549
35 HZ1 LYS 3 HZ1 LYS 3 7.217 12.261 -2.163
36 HZ2 LYS 3 HZ2 LYS 3 6.788 12.544 -0.618
37 HZ3 LYS 3 HZ3 LYS 3 7.865 13.542 -1.350
38 H HIS 4 H HIS 4 10.236 5.805 -1.485
39 HA HIS 4 HA HIS 4 9.399 4.734 1.165
40 HB2 HIS 4 HB2 HIS 4 8.522 3.762 -1.557
41 HB3 HIS 4 HB3 HIS 4 7.789 3.419 -0.009
42 HD2 HIS 4 HD2 HIS 4 6.987 5.948 1.318
43 HE1 HIS 4 HE1 HIS 4 5.874 7.681 -2.414
44 HE2 HIS 4 HE2 HIS 4 5.684 7.906 0.111
45 H LEU 5 H LEU 5 9.242 2.214 1.150
46 HA LEU 5 HA LEU 5 11.646 0.835 0.262
47 HB2 LEU 5 HB2 LEU 5 12.666 0.571 2.423
48 HB3 LEU 5 HB3 LEU 5 12.634 2.249 1.983
49 HG LEU 5 HG LEU 5 10.546 1.109 3.887
50 HD11 LEU 5 1HD1 LEU 5 11.972 1.795 5.740
51 HD12 LEU 5 2HD1 LEU 5 12.784 0.561 4.776
52 HD13 LEU 5 3HD1 LEU 5 13.260 2.262 4.608
53 HD21 LEU 5 3HD2 LEU 5 10.609 3.460 4.779
54 HD22 LEU 5 1HD2 LEU 5 11.707 3.898 3.458
55 HD23 LEU 5 2HD2 LEU 5 10.039 3.387 3.121
56 H GLY 6 H GLY 6 11.316 -0.870 2.849
57 HA2 GLY 6 HA2 GLY 6 8.698 -2.190 2.256
58 HA3 GLY 6 HA3 GLY 6 10.199 -3.103 2.189
59 H GLY 7 H GLY 7 10.742 -1.003 4.689
60 HA2 GLY 7 HA2 GLY 7 10.185 -2.917 6.791
61 HA3 GLY 7 HA3 GLY 7 10.892 -1.319 6.968
62 H CYS 8 H CYS 8 9.694 -0.308 8.554
63 HA CYS 8 HA CYS 8 6.960 -0.677 9.191
64 HB2 CYS 8 HB2 CYS 8 8.919 1.595 9.630
65 HB3 CYS 8 HB3 CYS 8 7.222 1.748 10.090
66 HG CYS 8 HG CYS 8 9.429 -0.530 11.041
67 H TRP 9 H TRP 9 8.305 1.274 6.566
68 HA TRP 9 HA TRP 9 6.114 2.904 5.916
69 HB2 TRP 9 HB2 TRP 9 8.087 3.314 4.746
70 HB3 TRP 9 HB3 TRP 9 8.385 1.615 4.476
71 HD1 TRP 9 HD1 TRP 9 7.513 0.431 2.511
72 HE1 TRP 9 HE1 TRP 9 6.029 0.949 0.472
73 HE3 TRP 9 HE3 TRP 9 5.740 4.966 3.998
74 HZ2 TRP 9 HZ2 TRP 9 4.233 3.047 -0.347
75 HZ3 TRP 9 HZ3 TRP 9 3.949 6.086 2.685
76 HH2 TRP 9 HH2 TRP 9 3.212 5.158 0.512
77 H LEU 10 H LEU 10 6.632 -0.582 5.191
78 HA LEU 10 HA LEU 10 4.624 -0.684 3.168
79 HB2 LEU 10 HB2 LEU 10 6.571 -2.034 3.208
80 HB3 LEU 10 HB3 LEU 10 6.176 -2.732 4.781
81 HG LEU 10 HG LEU 10 4.242 -3.842 3.834
82 HD11 LEU 10 1HD1 LEU 10 5.299 -2.872 1.139
83 HD12 LEU 10 2HD1 LEU 10 4.005 -4.069 1.357
84 HD13 LEU 10 3HD1 LEU 10 3.753 -2.400 1.875
85 HD21 LEU 10 3HD2 LEU 10 6.818 -4.466 2.341
86 HD22 LEU 10 1HD2 LEU 10 6.425 -4.995 3.990
87 HD23 LEU 10 2HD2 LEU 10 5.471 -5.592 2.624
88 H ALA 11 H ALA 11 4.461 -1.002 6.651
89 HA ALA 11 HA ALA 11 1.880 -2.214 6.893
90 HB1 ALA 11 HB1 ALA 11 3.308 -0.194 8.665
91 HB2 ALA 11 HB2 ALA 11 2.002 -1.293 9.161
92 HB3 ALA 11 HB3 ALA 11 3.586 -1.943 8.685
93 H ILE 12 H ILE 12 2.763 0.941 5.664
94 HA ILE 12 HA ILE 12 0.070 2.107 6.180
95 HB ILE 12 HB ILE 12 2.409 3.145 4.536
96 HG12 ILE 12 2HG1 ILE 12 1.974 5.067 6.353
97 HG13 ILE 12 3HG1 ILE 12 1.248 3.765 7.284
98 HG21 ILE 12 1HG2 ILE 12 -0.304 4.437 5.034
99 HG22 ILE 12 2HG2 ILE 12 1.096 5.208 4.263
100 HG23 ILE 12 3HG2 ILE 12 0.310 3.860 3.464
101 HD11 ILE 12 3HD1 ILE 12 4.097 3.868 6.197
102 HD12 ILE 12 1HD1 ILE 12 3.612 4.163 7.872
103 HD13 ILE 12 2HD1 ILE 12 3.434 2.544 7.191
104 H VAL 13 H VAL 13 1.895 0.677 3.461
105 HA VAL 13 HA VAL 13 -0.310 0.868 1.636
106 HB VAL 13 HB VAL 13 1.893 -1.120 1.209
107 HG11 VAL 13 1HG1 VAL 13 0.042 -0.914 -0.455
108 HG12 VAL 13 2HG1 VAL 13 0.432 0.806 -0.651
109 HG13 VAL 13 3HG1 VAL 13 1.604 -0.438 -1.129
110 HG21 VAL 13 3HG2 VAL 13 3.265 0.693 0.190
111 HG22 VAL 13 1HG2 VAL 13 2.168 1.896 0.902
112 HG23 VAL 13 2HG2 VAL 13 3.151 0.839 1.940
113 H CYS 14 H CYS 14 0.836 -1.827 3.656
114 HA CYS 14 HA CYS 14 -0.719 -3.917 2.698
115 HB2 CYS 14 HB2 CYS 14 0.118 -3.194 5.524
116 HB3 CYS 14 HB3 CYS 14 -0.688 -4.706 5.145
117 HG CYS 14 HG CYS 14 2.109 -3.457 4.024
118 H VAL 15 H VAL 15 -1.784 -1.844 5.456
119 HA VAL 15 HA VAL 15 -4.413 -2.998 5.394
120 HB VAL 15 HB VAL 15 -3.302 -2.110 7.344
121 HG11 VAL 15 1HG1 VAL 15 -4.039 0.652 6.269
122 HG12 VAL 15 2HG1 VAL 15 -3.356 0.295 7.867
123 HG13 VAL 15 3HG1 VAL 15 -2.389 0.016 6.407
124 HG21 VAL 15 3HG2 VAL 15 -5.987 -0.766 6.749
125 HG22 VAL 15 1HG2 VAL 15 -5.790 -2.482 7.168
126 HG23 VAL 15 2HG2 VAL 15 -5.360 -1.239 8.354
127 H LEU 16 H LEU 16 -3.093 -0.272 3.641
128 HA LEU 16 HA LEU 16 -5.690 0.688 2.784
129 HB2 LEU 16 HB2 LEU 16 -3.877 2.188 2.467
130 HB3 LEU 16 HB3 LEU 16 -2.835 0.945 1.800
131 HG LEU 16 HG LEU 16 -4.172 0.903 -0.296
132 HD11 LEU 16 1HD1 LEU 16 -6.337 1.770 0.570
133 HD12 LEU 16 2HD1 LEU 16 -5.572 3.337 0.903
134 HD13 LEU 16 3HD1 LEU 16 -5.727 2.747 -0.765
135 HD21 LEU 16 3HD2 LEU 16 -3.347 3.066 -1.131
136 HD22 LEU 16 1HD2 LEU 16 -3.107 3.633 0.533
137 HD23 LEU 16 2HD2 LEU 16 -2.143 2.277 -0.093
138 H LEU 17 H LEU 17 -3.470 -1.901 1.730
139 HA LEU 17 HA LEU 17 -4.969 -2.314 -0.721
140 HB2 LEU 17 HB2 LEU 17 -3.187 -3.306 -1.601
141 HB3 LEU 17 HB3 LEU 17 -2.470 -2.224 -0.428
142 HG LEU 17 HG LEU 17 -2.407 -4.353 1.092
143 HD11 LEU 17 1HD1 LEU 17 -2.407 -5.610 -1.689
144 HD12 LEU 17 2HD1 LEU 17 -1.954 -6.431 -0.179
145 HD13 LEU 17 3HD1 LEU 17 -3.613 -5.907 -0.425
146 HD21 LEU 17 3HD2 LEU 17 -0.416 -3.162 0.266
147 HD22 LEU 17 1HD2 LEU 17 -0.169 -4.910 0.211
148 HD23 LEU 17 2HD2 LEU 17 -0.539 -4.017 -1.284
149 H PHE 18 H PHE 18 -4.598 -4.350 2.241
150 HA PHE 18 HA PHE 18 -5.905 -6.591 0.821
151 HB2 PHE 18 HB2 PHE 18 -5.711 -7.838 2.779
152 HB3 PHE 18 HB3 PHE 18 -4.221 -6.947 2.592
153 HD1 PHE 18 HD2 PHE 18 -7.450 -7.047 4.449
154 HD2 PHE 18 HD1 PHE 18 -3.417 -5.603 4.353
155 HE1 PHE 18 HE2 PHE 18 -7.635 -6.427 6.856
156 HE2 PHE 18 HE1 PHE 18 -3.570 -4.989 6.780
157 HZ PHE 18 HZ PHE 18 -5.681 -5.404 8.025
158 H SER 19 H SER 19 -6.926 -4.018 3.053
159 HA SER 19 HA SER 19 -9.592 -4.796 3.523
160 HB2 SER 19 HB2 SER 19 -8.183 -2.132 3.263
161 HB3 SER 19 HB3 SER 19 -9.899 -2.237 3.683
162 HG SER 19 HG SER 19 -9.240 -3.684 5.441
163 H GLN 20 H GLN 20 -8.180 -3.523 0.534
164 HA GLN 20 HA GLN 20 -10.710 -2.717 -0.668
165 HB2 GLN 20 HB2 GLN 20 -8.079 -3.336 -2.040
166 HB3 GLN 20 HB3 GLN 20 -9.436 -2.467 -2.731
167 HG2 GLN 20 HG2 GLN 20 -8.509 -1.286 -0.175
168 HG3 GLN 20 HG3 GLN 20 -7.218 -1.413 -1.365
169 HE21 GLN 20 2HE2 GLN 20 -8.941 0.822 -0.070
170 HE22 GLN 20 1HE2 GLN 20 -9.049 1.893 -1.460
171 H LEU 21 H LEU 21 -8.531 -5.467 -1.261
172 HA LEU 21 HA LEU 21 -10.181 -7.172 -2.793
173 HB2 LEU 21 HB2 LEU 21 -8.000 -7.791 -2.622
174 HB3 LEU 21 HB3 LEU 21 -7.852 -7.445 -0.915
175 HG LEU 21 HG LEU 21 -9.476 -9.822 -1.851
176 HD11 LEU 21 1HD1 LEU 21 -6.500 -9.803 -1.298
177 HD12 LEU 21 2HD1 LEU 21 -7.506 -11.219 -1.662
178 HD13 LEU 21 3HD1 LEU 21 -7.252 -9.981 -2.899
179 HD21 LEU 21 3HD2 LEU 21 -8.560 -10.712 0.394
180 HD22 LEU 21 1HD2 LEU 21 -8.009 -9.069 0.727
181 HD23 LEU 21 2HD2 LEU 21 -9.736 -9.428 0.558
182 H SER 22 H SER 22 -10.276 -6.582 0.694
183 HA SER 22 HA SER 22 -12.107 -8.807 1.152
184 HB2 SER 22 HB2 SER 22 -11.297 -6.631 3.089
185 HB3 SER 22 HB3 SER 22 -11.913 -8.274 3.405
186 HG SER 22 HG SER 22 -9.382 -7.639 2.306
187 H SER 23 H SER 23 -12.521 -5.428 0.445
188 HA SER 23 HA SER 23 -14.778 -4.760 1.956
189 HB2 SER 23 HB2 SER 23 -13.070 -3.458 0.303
190 HB3 SER 23 HB3 SER 23 -14.470 -3.485 -0.753
191 HG SER 23 HG SER 23 -15.555 -2.233 0.636
192 H VAL 24 H VAL 24 -14.842 -6.999 -0.611
193 HA VAL 24 HA VAL 24 -17.586 -6.614 -1.414
194 HB VAL 24 HB VAL 24 -17.154 -8.679 -2.595
195 HG11 VAL 24 1HG1 VAL 24 -14.759 -6.804 -2.874
196 HG12 VAL 24 2HG1 VAL 24 -15.423 -7.854 -4.127
197 HG13 VAL 24 3HG1 VAL 24 -16.375 -6.481 -3.535
198 HG21 VAL 24 3HG2 VAL 24 -14.433 -8.815 -1.263
199 HG22 VAL 24 1HG2 VAL 24 -15.739 -10.032 -1.216
200 HG23 VAL 24 2HG2 VAL 24 -14.891 -9.714 -2.714
201 H LYS 25 H LYS 25 -15.861 -8.781 0.767
202 HA LYS 25 HA LYS 25 -18.358 -10.090 1.602
203 HB2 LYS 25 HB2 LYS 25 -16.905 -11.754 2.674
204 HB3 LYS 25 HB3 LYS 25 -16.519 -11.566 0.968
205 HG2 LYS 25 HG2 LYS 25 -14.521 -10.300 1.457
206 HG3 LYS 25 HG3 LYS 25 -14.957 -10.132 3.168
207 HD2 LYS 25 HD2 LYS 25 -14.687 -12.547 3.518
208 HD3 LYS 25 HD3 LYS 25 -14.327 -12.770 1.790
209 HE2 LYS 25 HE2 LYS 25 -12.365 -11.284 2.000
210 HE3 LYS 25 HE3 LYS 25 -12.686 -11.057 3.727
211 HZ1 LYS 25 HZ1 LYS 25 -12.230 -13.728 2.525
212 HZ2 LYS 25 HZ2 LYS 25 -10.995 -12.811 3.089
213 HZ3 LYS 25 HZ3 LYS 25 -12.157 -13.329 4.124
214 H ALA 26 H ALA 26 -16.847 -7.401 2.526
215 HA ALA 26 HA ALA 26 -17.567 -7.558 5.401
216 HB1 ALA 26 HB1 ALA 26 -14.682 -7.241 4.435
217 HB2 ALA 26 HB2 ALA 26 -15.226 -7.214 6.117
218 HB3 ALA 26 HB3 ALA 26 -15.353 -8.704 5.188
219 H ARG 27 H ARG 27 -16.609 -5.475 6.549
220 HA ARG 27 HA ARG 27 -17.447 -3.010 5.310
221 HB2 ARG 27 HB2 ARG 27 -15.354 -3.477 7.484
222 HB3 ARG 27 HB3 ARG 27 -16.058 -1.933 7.042
223 HG2 ARG 27 HG2 ARG 27 -18.261 -2.648 7.831
224 HG3 ARG 27 HG3 ARG 27 -17.584 -4.229 8.314
225 HD2 ARG 27 HD2 ARG 27 -15.968 -3.139 9.804
226 HD3 ARG 27 HD3 ARG 27 -16.479 -1.552 9.226
227 HE ARG 27 HE ARG 27 -18.526 -3.237 10.577
228 HH11 ARG 27 1HH1 ARG 27 -16.348 -0.420 10.833
229 HH12 ARG 27 2HH1 ARG 27 -17.142 0.061 12.322
230 HH21 ARG 27 1HH2 ARG 27 -19.351 -2.434 12.574
231 HH22 ARG 27 2HH2 ARG 27 -18.660 -0.941 13.189
232 H GLY 28 H GLY 28 -14.253 -4.524 5.610
233 HA2 GLY 28 HA2 GLY 28 -12.286 -4.309 4.492
234 HA3 GLY 28 HA3 GLY 28 -13.244 -3.886 3.076
235 H ILE 29 H ILE 29 -13.203 -1.901 2.319
236 HA ILE 29 HA ILE 29 -11.035 -0.218 2.728
237 HB ILE 29 HB ILE 29 -13.738 0.172 1.406
238 HG12 ILE 29 2HG1 ILE 29 -10.956 -0.229 0.220
239 HG13 ILE 29 3HG1 ILE 29 -12.040 -1.547 0.561
240 HG21 ILE 29 1HG2 ILE 29 -11.334 2.021 1.222
241 HG22 ILE 29 2HG2 ILE 29 -12.796 2.115 0.214
242 HG23 ILE 29 3HG2 ILE 29 -12.917 2.430 1.933
243 HD11 ILE 29 3HD1 ILE 29 -12.217 -1.052 -1.774
244 HD12 ILE 29 1HD1 ILE 29 -13.733 -0.556 -1.002
245 HD13 ILE 29 2HD1 ILE 29 -12.524 0.662 -1.469
246 H LYS 30 H LYS 30 -10.502 1.236 4.131
247 HA LYS 30 HA LYS 30 -12.510 2.658 5.801
248 HB2 LYS 30 HB2 LYS 30 -11.027 2.236 7.776
249 HB3 LYS 30 HB3 LYS 30 -11.947 0.870 7.166
250 HG2 LYS 30 HG2 LYS 30 -9.922 -0.069 6.078
251 HG3 LYS 30 HG3 LYS 30 -8.991 1.327 6.623
252 HD2 LYS 30 HD2 LYS 30 -8.569 -0.578 8.063
253 HD3 LYS 30 HD3 LYS 30 -9.335 0.732 8.956
254 HE2 LYS 30 HE2 LYS 30 -10.296 -1.341 9.691
255 HE3 LYS 30 HE3 LYS 30 -11.524 -0.443 8.810
256 HZ1 LYS 30 HZ1 LYS 30 -9.928 -2.711 7.753
257 HZ2 LYS 30 HZ2 LYS 30 -11.492 -2.765 8.193
258 HZ3 LYS 30 HZ3 LYS 30 -11.075 -1.892 6.871
Start of MODEL 13
1 H1 MET 1 H1 MET 1 11.049 9.608 -10.726
2 H2 MET 1 H2 MET 1 11.256 11.235 -10.818
3 H3 MET 1 H3 MET 1 9.873 10.618 -10.186
4 HA MET 1 HA MET 1 12.542 10.288 -9.007
5 HB2 MET 1 HB2 MET 1 11.817 12.595 -8.878
6 HB3 MET 1 HB3 MET 1 10.256 12.137 -8.208
7 HG2 MET 1 HG2 MET 1 12.840 11.438 -6.783
8 HG3 MET 1 HG3 MET 1 12.122 13.042 -6.665
9 HE1 MET 1 HE1 MET 1 11.938 13.100 -4.129
10 HE2 MET 1 HE2 MET 1 11.332 11.749 -3.147
11 HE3 MET 1 HE3 MET 1 12.801 11.545 -4.128
12 H ARG 2 H ARG 2 12.702 8.872 -7.315
13 HA ARG 2 HA ARG 2 10.247 7.348 -6.498
14 HB2 ARG 2 HB2 ARG 2 12.887 6.389 -7.559
15 HB3 ARG 2 HB3 ARG 2 12.259 5.540 -6.159
16 HG2 ARG 2 HG2 ARG 2 11.535 4.349 -8.072
17 HG3 ARG 2 HG3 ARG 2 10.119 5.110 -7.378
18 HD2 ARG 2 HD2 ARG 2 10.210 6.897 -9.105
19 HD3 ARG 2 HD3 ARG 2 11.637 6.120 -9.815
20 HE ARG 2 HE ARG 2 8.841 5.313 -10.059
21 HH11 ARG 2 1HH1 ARG 2 12.089 3.945 -10.292
22 HH12 ARG 2 2HH1 ARG 2 11.460 2.617 -11.283
23 HH21 ARG 2 1HH2 ARG 2 8.276 3.646 -11.477
24 HH22 ARG 2 2HH2 ARG 2 9.531 2.481 -11.885
25 H LYS 3 H LYS 3 10.172 6.571 -4.352
26 HA LYS 3 HA LYS 3 12.090 7.781 -2.407
27 HB2 LYS 3 HB2 LYS 3 10.357 9.067 -1.279
28 HB3 LYS 3 HB3 LYS 3 10.451 9.552 -2.970
29 HG2 LYS 3 HG2 LYS 3 8.431 8.282 -3.520
30 HG3 LYS 3 HG3 LYS 3 8.407 7.545 -1.922
31 HD2 LYS 3 HD2 LYS 3 6.715 9.285 -2.052
32 HD3 LYS 3 HD3 LYS 3 7.943 9.661 -0.848
33 HE2 LYS 3 HE2 LYS 3 7.432 11.690 -1.983
34 HE3 LYS 3 HE3 LYS 3 9.051 11.203 -2.487
35 HZ1 LYS 3 HZ1 LYS 3 7.747 11.943 -4.343
36 HZ2 LYS 3 HZ2 LYS 3 7.998 10.321 -4.571
37 HZ3 LYS 3 HZ3 LYS 3 6.546 10.868 -4.063
38 H HIS 4 H HIS 4 10.454 5.022 -3.021
39 HA HIS 4 HA HIS 4 9.507 4.626 -0.230
40 HB2 HIS 4 HB2 HIS 4 8.793 3.166 -2.783
41 HB3 HIS 4 HB3 HIS 4 8.209 2.718 -1.182
42 HD2 HIS 4 HD2 HIS 4 6.921 4.927 0.205
43 HE1 HIS 4 HE1 HIS 4 5.426 6.596 -3.416
44 HE2 HIS 4 HE2 HIS 4 5.228 6.629 -0.886
45 H LEU 5 H LEU 5 9.549 2.447 0.633
46 HA LEU 5 HA LEU 5 12.148 1.075 0.446
47 HB2 LEU 5 HB2 LEU 5 12.808 1.684 2.661
48 HB3 LEU 5 HB3 LEU 5 12.618 3.125 1.701
49 HG LEU 5 HG LEU 5 10.542 2.180 3.738
50 HD11 LEU 5 1HD1 LEU 5 11.524 3.948 5.184
51 HD12 LEU 5 2HD1 LEU 5 12.656 2.636 4.849
52 HD13 LEU 5 3HD1 LEU 5 12.810 4.189 3.991
53 HD21 LEU 5 3HD2 LEU 5 9.506 3.779 2.220
54 HD22 LEU 5 1HD2 LEU 5 9.889 4.623 3.708
55 HD23 LEU 5 2HD2 LEU 5 10.937 4.845 2.295
56 H GLY 6 H GLY 6 11.735 0.013 3.230
57 HA2 GLY 6 HA2 GLY 6 9.328 -1.715 2.832
58 HA3 GLY 6 HA3 GLY 6 10.939 -2.417 2.897
59 H GLY 7 H GLY 7 10.718 0.240 5.033
60 HA2 GLY 7 HA2 GLY 7 10.660 -1.420 7.440
61 HA3 GLY 7 HA3 GLY 7 10.919 0.311 7.330
62 H CYS 8 H CYS 8 9.448 1.178 8.707
63 HA CYS 8 HA CYS 8 6.801 0.417 9.296
64 HB2 CYS 8 HB2 CYS 8 8.201 3.108 9.142
65 HB3 CYS 8 HB3 CYS 8 6.533 2.939 9.696
66 HG CYS 8 HG CYS 8 6.909 1.407 11.661
67 H TRP 9 H TRP 9 7.986 2.019 6.359
68 HA TRP 9 HA TRP 9 5.631 3.097 5.301
69 HB2 TRP 9 HB2 TRP 9 7.627 3.652 4.234
70 HB3 TRP 9 HB3 TRP 9 8.208 2.008 4.263
71 HD1 TRP 9 HD1 TRP 9 7.717 0.419 2.443
72 HE1 TRP 9 HE1 TRP 9 6.467 0.468 0.160
73 HE3 TRP 9 HE3 TRP 9 5.206 4.790 3.069
74 HZ2 TRP 9 HZ2 TRP 9 4.343 2.038 -0.995
75 HZ3 TRP 9 HZ3 TRP 9 3.380 5.416 1.501
76 HH2 TRP 9 HH2 TRP 9 2.924 4.030 -0.495
77 H LEU 10 H LEU 10 6.761 -0.307 5.204
78 HA LEU 10 HA LEU 10 4.966 -1.084 3.123
79 HB2 LEU 10 HB2 LEU 10 7.100 -2.054 3.541
80 HB3 LEU 10 HB3 LEU 10 6.660 -2.543 5.179
81 HG LEU 10 HG LEU 10 4.989 -4.080 4.275
82 HD11 LEU 10 1HD1 LEU 10 6.224 -3.420 1.565
83 HD12 LEU 10 2HD1 LEU 10 5.095 -4.756 1.877
84 HD13 LEU 10 3HD1 LEU 10 4.545 -3.086 2.054
85 HD21 LEU 10 3HD2 LEU 10 7.797 -4.531 3.193
86 HD22 LEU 10 1HD2 LEU 10 7.259 -4.865 4.853
87 HD23 LEU 10 2HD2 LEU 10 6.589 -5.794 3.503
88 H ALA 11 H ALA 11 4.625 -0.888 6.600
89 HA ALA 11 HA ALA 11 2.310 -2.522 6.936
90 HB1 ALA 11 HB1 ALA 11 3.247 -0.053 8.472
91 HB2 ALA 11 HB2 ALA 11 2.102 -1.277 9.053
92 HB3 ALA 11 HB3 ALA 11 3.798 -1.717 8.764
93 H ILE 12 H ILE 12 2.697 0.590 5.377
94 HA ILE 12 HA ILE 12 -0.169 1.329 5.670
95 HB ILE 12 HB ILE 12 2.084 2.630 4.092
96 HG12 ILE 12 2HG1 ILE 12 1.006 4.458 5.956
97 HG13 ILE 12 3HG1 ILE 12 0.977 2.946 6.852
98 HG21 ILE 12 1HG2 ILE 12 0.526 4.497 3.704
99 HG22 ILE 12 2HG2 ILE 12 -0.012 3.035 2.895
100 HG23 ILE 12 3HG2 ILE 12 -0.793 3.543 4.416
101 HD11 ILE 12 3HD1 ILE 12 3.390 2.647 6.393
102 HD12 ILE 12 1HD1 ILE 12 3.405 4.154 5.449
103 HD13 ILE 12 2HD1 ILE 12 3.076 4.197 7.197
104 H VAL 13 H VAL 13 1.973 -0.033 3.172
105 HA VAL 13 HA VAL 13 -0.105 -0.334 1.187
106 HB VAL 13 HB VAL 13 2.345 -2.089 1.295
107 HG11 VAL 13 1HG1 VAL 13 0.645 -2.519 -0.472
108 HG12 VAL 13 2HG1 VAL 13 0.796 -0.834 -1.014
109 HG13 VAL 13 3HG1 VAL 13 2.173 -1.946 -1.152
110 HG21 VAL 13 3HG2 VAL 13 3.565 -0.364 -0.014
111 HG22 VAL 13 1HG2 VAL 13 2.267 0.796 0.333
112 HG23 VAL 13 2HG2 VAL 13 3.272 0.144 1.646
113 H CYS 14 H CYS 14 1.190 -2.569 3.663
114 HA CYS 14 HA CYS 14 -0.210 -4.878 2.960
115 HB2 CYS 14 HB2 CYS 14 0.491 -3.747 5.689
116 HB3 CYS 14 HB3 CYS 14 -0.170 -5.340 5.495
117 HG CYS 14 HG CYS 14 2.577 -4.013 4.313
118 H VAL 15 H VAL 15 -1.413 -2.328 5.169
119 HA VAL 15 HA VAL 15 -3.906 -3.694 5.566
120 HB VAL 15 HB VAL 15 -2.825 -2.314 7.163
121 HG11 VAL 15 1HG1 VAL 15 -2.998 0.143 7.138
122 HG12 VAL 15 2HG1 VAL 15 -2.088 -0.418 5.731
123 HG13 VAL 15 3HG1 VAL 15 -3.776 0.095 5.541
124 HG21 VAL 15 3HG2 VAL 15 -4.891 -1.196 8.028
125 HG22 VAL 15 1HG2 VAL 15 -5.607 -1.261 6.398
126 HG23 VAL 15 2HG2 VAL 15 -5.298 -2.760 7.304
127 H LEU 16 H LEU 16 -2.919 -1.292 3.239
128 HA LEU 16 HA LEU 16 -5.575 -0.638 2.238
129 HB2 LEU 16 HB2 LEU 16 -3.694 0.804 1.746
130 HB3 LEU 16 HB3 LEU 16 -2.712 -0.537 1.192
131 HG LEU 16 HG LEU 16 -4.199 -0.789 -0.804
132 HD11 LEU 16 1HD1 LEU 16 -6.206 0.372 0.145
133 HD12 LEU 16 2HD1 LEU 16 -5.308 1.899 0.152
134 HD13 LEU 16 3HD1 LEU 16 -5.683 1.094 -1.387
135 HD21 LEU 16 3HD2 LEU 16 -3.288 1.179 -1.968
136 HD22 LEU 16 1HD2 LEU 16 -2.873 1.922 -0.406
137 HD23 LEU 16 2HD2 LEU 16 -2.074 0.422 -0.927
138 H LEU 17 H LEU 17 -3.091 -3.133 1.546
139 HA LEU 17 HA LEU 17 -4.495 -3.999 -0.792
140 HB2 LEU 17 HB2 LEU 17 -2.722 -5.213 -1.382
141 HB3 LEU 17 HB3 LEU 17 -2.055 -3.912 -0.408
142 HG LEU 17 HG LEU 17 -2.002 -5.624 1.492
143 HD11 LEU 17 1HD1 LEU 17 -1.566 -7.970 0.723
144 HD12 LEU 17 2HD1 LEU 17 -3.247 -7.510 0.516
145 HD13 LEU 17 3HD1 LEU 17 -2.153 -7.523 -0.888
146 HD21 LEU 17 3HD2 LEU 17 -0.181 -5.913 -0.925
147 HD22 LEU 17 1HD2 LEU 17 -0.015 -4.712 0.371
148 HD23 LEU 17 2HD2 LEU 17 0.220 -6.423 0.728
149 H PHE 18 H PHE 18 -4.948 -5.047 2.460
150 HA PHE 18 HA PHE 18 -6.616 -7.326 1.424
151 HB2 PHE 18 HB2 PHE 18 -6.795 -8.144 3.594
152 HB3 PHE 18 HB3 PHE 18 -5.099 -7.857 3.260
153 HD1 PHE 18 HD2 PHE 18 -8.079 -6.508 5.017
154 HD2 PHE 18 HD1 PHE 18 -3.795 -6.444 4.737
155 HE1 PHE 18 HE2 PHE 18 -7.948 -5.539 7.314
156 HE2 PHE 18 HE1 PHE 18 -3.649 -5.589 7.068
157 HZ PHE 18 HZ PHE 18 -5.729 -5.110 8.350
158 H SER 19 H SER 19 -6.866 -4.168 3.128
159 HA SER 19 HA SER 19 -9.610 -4.309 3.787
160 HB2 SER 19 HB2 SER 19 -7.901 -1.932 2.972
161 HB3 SER 19 HB3 SER 19 -9.536 -1.811 3.657
162 HG SER 19 HG SER 19 -7.155 -2.697 4.833
163 H GLN 20 H GLN 20 -8.100 -3.366 0.731
164 HA GLN 20 HA GLN 20 -10.479 -2.407 -0.598
165 HB2 GLN 20 HB2 GLN 20 -7.831 -3.458 -1.634
166 HB3 GLN 20 HB3 GLN 20 -9.030 -2.659 -2.647
167 HG2 GLN 20 HG2 GLN 20 -8.019 -1.271 -0.132
168 HG3 GLN 20 HG3 GLN 20 -6.990 -1.326 -1.563
169 HE21 GLN 20 2HE2 GLN 20 -8.579 0.820 -0.002
170 HE22 GLN 20 1HE2 GLN 20 -9.219 1.758 -1.338
171 H LEU 21 H LEU 21 -8.771 -5.503 -0.750
172 HA LEU 21 HA LEU 21 -10.606 -7.025 -2.306
173 HB2 LEU 21 HB2 LEU 21 -8.556 -7.967 -2.123
174 HB3 LEU 21 HB3 LEU 21 -8.275 -7.454 -0.477
175 HG LEU 21 HG LEU 21 -10.290 -9.651 -0.985
176 HD11 LEU 21 1HD1 LEU 21 -7.280 -10.025 -0.760
177 HD12 LEU 21 2HD1 LEU 21 -8.528 -11.296 -0.817
178 HD13 LEU 21 3HD1 LEU 21 -8.250 -10.276 -2.229
179 HD21 LEU 21 3HD2 LEU 21 -8.280 -9.168 1.273
180 HD22 LEU 21 1HD2 LEU 21 -9.952 -8.645 1.366
181 HD23 LEU 21 2HD2 LEU 21 -9.596 -10.365 1.242
182 H SER 22 H SER 22 -10.592 -6.333 1.163
183 HA SER 22 HA SER 22 -12.639 -8.185 1.870
184 HB2 SER 22 HB2 SER 22 -11.108 -7.265 3.567
185 HB3 SER 22 HB3 SER 22 -11.498 -5.689 3.084
186 HG SER 22 HG SER 22 -12.881 -7.486 4.710
187 H SER 23 H SER 23 -12.788 -4.764 0.937
188 HA SER 23 HA SER 23 -15.241 -4.206 2.089
189 HB2 SER 23 HB2 SER 23 -13.327 -2.684 1.191
190 HB3 SER 23 HB3 SER 23 -14.249 -2.659 -0.315
191 HG SER 23 HG SER 23 -15.235 -1.969 2.289
192 H VAL 24 H VAL 24 -15.067 -6.158 -0.666
193 HA VAL 24 HA VAL 24 -17.736 -5.460 -1.656
194 HB VAL 24 HB VAL 24 -17.227 -7.199 -3.249
195 HG11 VAL 24 1HG1 VAL 24 -14.845 -5.307 -3.052
196 HG12 VAL 24 2HG1 VAL 24 -15.531 -6.000 -4.532
197 HG13 VAL 24 3HG1 VAL 24 -16.467 -4.814 -3.615
198 HG21 VAL 24 3HG2 VAL 24 -14.966 -8.155 -3.541
199 HG22 VAL 24 1HG2 VAL 24 -14.543 -7.565 -1.931
200 HG23 VAL 24 2HG2 VAL 24 -15.820 -8.794 -2.149
201 H LYS 25 H LYS 25 -16.096 -8.017 0.119
202 HA LYS 25 HA LYS 25 -18.627 -9.500 0.448
203 HB2 LYS 25 HB2 LYS 25 -17.312 -11.409 1.060
204 HB3 LYS 25 HB3 LYS 25 -16.679 -10.730 -0.430
205 HG2 LYS 25 HG2 LYS 25 -14.825 -9.642 0.871
206 HG3 LYS 25 HG3 LYS 25 -15.464 -10.382 2.357
207 HD2 LYS 25 HD2 LYS 25 -15.187 -12.644 1.277
208 HD3 LYS 25 HD3 LYS 25 -14.435 -11.838 -0.114
209 HE2 LYS 25 HE2 LYS 25 -12.696 -10.899 1.449
210 HE3 LYS 25 HE3 LYS 25 -13.400 -11.852 2.757
211 HZ1 LYS 25 HZ1 LYS 25 -12.262 -12.930 0.235
212 HZ2 LYS 25 HZ2 LYS 25 -11.519 -12.982 1.685
213 HZ3 LYS 25 HZ3 LYS 25 -12.894 -13.869 1.436
214 H ALA 26 H ALA 26 -17.065 -7.162 2.010
215 HA ALA 26 HA ALA 26 -18.214 -7.541 4.698
216 HB1 ALA 26 HB1 ALA 26 -15.225 -7.778 4.122
217 HB2 ALA 26 HB2 ALA 26 -15.913 -7.596 5.747
218 HB3 ALA 26 HB3 ALA 26 -16.266 -9.042 4.796
219 H ARG 27 H ARG 27 -16.908 -5.678 6.148
220 HA ARG 27 HA ARG 27 -17.435 -3.137 4.846
221 HB2 ARG 27 HB2 ARG 27 -16.284 -3.821 7.574
222 HB3 ARG 27 HB3 ARG 27 -16.584 -2.172 6.996
223 HG2 ARG 27 HG2 ARG 27 -18.948 -2.819 6.514
224 HG3 ARG 27 HG3 ARG 27 -18.693 -4.378 7.274
225 HD2 ARG 27 HD2 ARG 27 -18.187 -1.784 8.758
226 HD3 ARG 27 HD3 ARG 27 -19.796 -2.455 8.632
227 HE ARG 27 HE ARG 27 -17.535 -3.475 10.218
228 HH11 ARG 27 1HH1 ARG 27 -20.887 -4.148 9.218
229 HH12 ARG 27 2HH1 ARG 27 -21.124 -5.166 10.634
230 HH21 ARG 27 1HH2 ARG 27 -18.058 -4.830 11.942
231 HH22 ARG 27 2HH2 ARG 27 -19.694 -5.478 12.043
232 H GLY 28 H GLY 28 -14.291 -4.546 5.897
233 HA2 GLY 28 HA2 GLY 28 -12.214 -4.427 4.812
234 HA3 GLY 28 HA3 GLY 28 -13.097 -3.850 3.419
235 H ILE 29 H ILE 29 -12.595 -1.946 2.684
236 HA ILE 29 HA ILE 29 -10.713 -0.135 3.409
237 HB ILE 29 HB ILE 29 -13.322 0.327 1.968
238 HG12 ILE 29 2HG1 ILE 29 -10.511 0.178 0.847
239 HG13 ILE 29 3HG1 ILE 29 -11.472 -1.257 1.061
240 HG21 ILE 29 1HG2 ILE 29 -10.950 2.239 2.142
241 HG22 ILE 29 2HG2 ILE 29 -12.307 2.407 1.017
242 HG23 ILE 29 3HG2 ILE 29 -12.596 2.557 2.737
243 HD11 ILE 29 3HD1 ILE 29 -11.696 -0.568 -1.220
244 HD12 ILE 29 1HD1 ILE 29 -13.248 -0.288 -0.423
245 HD13 ILE 29 2HD1 ILE 29 -12.158 1.076 -0.765
246 H LYS 30 H LYS 30 -10.288 1.326 4.837
247 HA LYS 30 HA LYS 30 -12.306 2.182 6.824
248 HB2 LYS 30 HB2 LYS 30 -9.287 2.531 6.821
249 HB3 LYS 30 HB3 LYS 30 -10.382 2.872 8.162
250 HG2 LYS 30 HG2 LYS 30 -9.812 0.114 6.972
251 HG3 LYS 30 HG3 LYS 30 -9.183 0.749 8.489
252 HD2 LYS 30 HD2 LYS 30 -11.422 0.816 9.464
253 HD3 LYS 30 HD3 LYS 30 -12.150 0.313 7.923
254 HE2 LYS 30 HE2 LYS 30 -11.004 -1.827 7.998
255 HE3 LYS 30 HE3 LYS 30 -10.162 -1.374 9.492
256 HZ1 LYS 30 HZ1 LYS 30 -12.224 -2.734 9.872
257 HZ2 LYS 30 HZ2 LYS 30 -12.224 -1.300 10.638
258 HZ3 LYS 30 HZ3 LYS 30 -13.120 -1.493 9.269
Start of MODEL 14
1 H1 MET 1 H1 MET 1 14.730 10.689 -5.306
2 H2 MET 1 H2 MET 1 16.341 10.480 -5.088
3 H3 MET 1 H3 MET 1 15.431 11.220 -3.920
4 HA MET 1 HA MET 1 15.261 8.409 -4.769
5 HB2 MET 1 HB2 MET 1 16.184 9.645 -2.139
6 HB3 MET 1 HB3 MET 1 15.885 7.920 -2.388
7 HG2 MET 1 HG2 MET 1 17.952 9.576 -3.888
8 HG3 MET 1 HG3 MET 1 18.268 8.478 -2.550
9 HE1 MET 1 HE1 MET 1 20.051 7.025 -3.707
10 HE2 MET 1 HE2 MET 1 19.930 6.484 -5.394
11 HE3 MET 1 HE3 MET 1 19.983 8.221 -5.016
12 H ARG 2 H ARG 2 13.556 7.199 -4.020
13 HA ARG 2 HA ARG 2 11.062 8.464 -3.541
14 HB2 ARG 2 HB2 ARG 2 12.003 5.618 -3.043
15 HB3 ARG 2 HB3 ARG 2 10.326 6.133 -2.834
16 HG2 ARG 2 HG2 ARG 2 10.198 6.851 -5.182
17 HG3 ARG 2 HG3 ARG 2 11.872 6.349 -5.455
18 HD2 ARG 2 HD2 ARG 2 9.628 4.495 -4.546
19 HD3 ARG 2 HD3 ARG 2 10.119 4.683 -6.219
20 HE ARG 2 HE ARG 2 11.544 3.256 -4.072
21 HH11 ARG 2 1HH1 ARG 2 11.869 4.433 -7.398
22 HH12 ARG 2 2HH1 ARG 2 13.140 3.268 -7.719
23 HH21 ARG 2 1HH2 ARG 2 13.321 2.052 -4.553
24 HH22 ARG 2 2HH2 ARG 2 13.873 1.944 -6.208
25 H LYS 3 H LYS 3 9.780 8.830 -1.857
26 HA LYS 3 HA LYS 3 10.784 9.153 0.878
27 HB2 LYS 3 HB2 LYS 3 9.098 10.657 -0.231
28 HB3 LYS 3 HB3 LYS 3 7.996 9.286 -0.357
29 HG2 LYS 3 HG2 LYS 3 7.990 9.159 2.187
30 HG3 LYS 3 HG3 LYS 3 8.978 10.623 2.195
31 HD2 LYS 3 HD2 LYS 3 6.721 11.292 2.556
32 HD3 LYS 3 HD3 LYS 3 7.114 11.776 0.896
33 HE2 LYS 3 HE2 LYS 3 5.888 9.903 -0.030
34 HE3 LYS 3 HE3 LYS 3 5.746 9.137 1.564
35 HZ1 LYS 3 HZ1 LYS 3 3.690 10.189 0.905
36 HZ2 LYS 3 HZ2 LYS 3 4.283 10.903 2.251
37 HZ3 LYS 3 HZ3 LYS 3 4.411 11.664 0.782
38 H HIS 4 H HIS 4 9.079 6.889 -0.939
39 HA HIS 4 HA HIS 4 8.284 5.092 1.258
40 HB2 HIS 4 HB2 HIS 4 8.040 4.801 -1.765
41 HB3 HIS 4 HB3 HIS 4 7.237 3.799 -0.555
42 HD2 HIS 4 HD2 HIS 4 5.930 5.735 1.413
43 HE1 HIS 4 HE1 HIS 4 4.471 8.039 -1.872
44 HE2 HIS 4 HE2 HIS 4 4.172 7.540 0.603
45 H LEU 5 H LEU 5 9.060 3.019 1.596
46 HA LEU 5 HA LEU 5 11.712 2.322 0.452
47 HB2 LEU 5 HB2 LEU 5 12.783 2.370 2.584
48 HB3 LEU 5 HB3 LEU 5 12.194 3.951 2.164
49 HG LEU 5 HG LEU 5 10.592 2.173 4.048
50 HD11 LEU 5 1HD1 LEU 5 12.865 2.244 4.955
51 HD12 LEU 5 2HD1 LEU 5 12.907 4.012 4.771
52 HD13 LEU 5 3HD1 LEU 5 11.786 3.253 5.921
53 HD21 LEU 5 3HD2 LEU 5 9.985 4.423 5.020
54 HD22 LEU 5 1HD2 LEU 5 10.873 5.191 3.680
55 HD23 LEU 5 2HD2 LEU 5 9.427 4.218 3.365
56 H GLY 6 H GLY 6 12.031 0.559 2.956
57 HA2 GLY 6 HA2 GLY 6 10.273 -1.718 2.197
58 HA3 GLY 6 HA3 GLY 6 12.024 -1.846 1.923
59 H GLY 7 H GLY 7 9.628 -1.002 4.405
60 HA2 GLY 7 HA2 GLY 7 11.118 -2.258 6.590
61 HA3 GLY 7 HA3 GLY 7 11.097 -0.494 6.625
62 H CYS 8 H CYS 8 9.780 -0.381 8.535
63 HA CYS 8 HA CYS 8 7.157 -1.397 8.839
64 HB2 CYS 8 HB2 CYS 8 8.565 1.125 9.793
65 HB3 CYS 8 HB3 CYS 8 6.855 0.812 10.141
66 HG CYS 8 HG CYS 8 9.538 -1.006 10.848
67 H TRP 9 H TRP 9 8.234 1.149 6.601
68 HA TRP 9 HA TRP 9 5.839 2.464 6.074
69 HB2 TRP 9 HB2 TRP 9 7.721 3.355 5.124
70 HB3 TRP 9 HB3 TRP 9 8.312 1.804 4.568
71 HD1 TRP 9 HD1 TRP 9 7.759 0.960 2.363
72 HE1 TRP 9 HE1 TRP 9 6.225 1.636 0.358
73 HE3 TRP 9 HE3 TRP 9 5.113 4.667 4.628
74 HZ2 TRP 9 HZ2 TRP 9 3.910 3.275 -0.004
75 HZ3 TRP 9 HZ3 TRP 9 3.061 5.577 3.532
76 HH2 TRP 9 HH2 TRP 9 2.467 4.905 1.224
77 H LEU 10 H LEU 10 6.784 -0.818 5.055
78 HA LEU 10 HA LEU 10 4.694 -1.134 3.091
79 HB2 LEU 10 HB2 LEU 10 6.245 -3.189 4.712
80 HB3 LEU 10 HB3 LEU 10 5.196 -3.578 3.354
81 HG LEU 10 HG LEU 10 7.681 -1.856 3.209
82 HD11 LEU 10 1HD1 LEU 10 8.204 -4.220 3.634
83 HD12 LEU 10 2HD1 LEU 10 7.198 -4.705 2.256
84 HD13 LEU 10 3HD1 LEU 10 8.677 -3.762 1.993
85 HD21 LEU 10 3HD2 LEU 10 6.124 -1.198 1.429
86 HD22 LEU 10 1HD2 LEU 10 7.462 -2.116 0.741
87 HD23 LEU 10 2HD2 LEU 10 5.891 -2.904 0.978
88 H ALA 11 H ALA 11 4.560 -1.208 6.604
89 HA ALA 11 HA ALA 11 2.170 -2.782 6.857
90 HB1 ALA 11 HB1 ALA 11 3.191 -0.527 8.638
91 HB2 ALA 11 HB2 ALA 11 2.101 -1.850 9.095
92 HB3 ALA 11 HB3 ALA 11 3.800 -2.194 8.692
93 H ILE 12 H ILE 12 2.699 0.523 5.759
94 HA ILE 12 HA ILE 12 -0.134 1.310 5.963
95 HB ILE 12 HB ILE 12 2.272 2.654 4.649
96 HG12 ILE 12 2HG1 ILE 12 1.513 4.312 6.683
97 HG13 ILE 12 3HG1 ILE 12 1.011 2.791 7.399
98 HG21 ILE 12 1HG2 ILE 12 -0.539 3.721 5.108
99 HG22 ILE 12 2HG2 ILE 12 0.848 4.667 4.541
100 HG23 ILE 12 3HG2 ILE 12 0.217 3.381 3.529
101 HD11 ILE 12 3HD1 ILE 12 3.360 1.953 7.173
102 HD12 ILE 12 1HD1 ILE 12 3.804 3.479 6.370
103 HD13 ILE 12 2HD1 ILE 12 3.291 3.478 8.066
104 H VAL 13 H VAL 13 2.065 -0.005 3.522
105 HA VAL 13 HA VAL 13 0.217 0.270 1.285
106 HB VAL 13 HB VAL 13 2.687 -1.488 1.529
107 HG11 VAL 13 1HG1 VAL 13 1.204 -0.409 -0.907
108 HG12 VAL 13 2HG1 VAL 13 2.754 -1.269 -0.937
109 HG13 VAL 13 3HG1 VAL 13 1.303 -2.114 -0.404
110 HG21 VAL 13 3HG2 VAL 13 2.420 1.373 0.527
111 HG22 VAL 13 1HG2 VAL 13 3.319 0.853 1.966
112 HG23 VAL 13 2HG2 VAL 13 3.871 0.363 0.364
113 H CYS 14 H CYS 14 1.118 -2.340 3.486
114 HA CYS 14 HA CYS 14 -0.313 -4.525 2.447
115 HB2 CYS 14 HB2 CYS 14 0.530 -3.617 5.198
116 HB3 CYS 14 HB3 CYS 14 -0.365 -5.095 5.009
117 HG CYS 14 HG CYS 14 2.592 -4.110 3.971
118 H VAL 15 H VAL 15 -1.474 -2.270 5.023
119 HA VAL 15 HA VAL 15 -4.078 -3.366 5.025
120 HB VAL 15 HB VAL 15 -3.098 -2.136 6.822
121 HG11 VAL 15 1HG1 VAL 15 -2.050 -0.239 5.651
122 HG12 VAL 15 2HG1 VAL 15 -3.645 0.391 5.183
123 HG13 VAL 15 3HG1 VAL 15 -3.162 0.344 6.891
124 HG21 VAL 15 3HG2 VAL 15 -5.706 -0.880 5.802
125 HG22 VAL 15 1HG2 VAL 15 -5.580 -2.441 6.653
126 HG23 VAL 15 2HG2 VAL 15 -5.169 -0.939 7.498
127 H LEU 16 H LEU 16 -2.777 -0.877 2.900
128 HA LEU 16 HA LEU 16 -5.332 -0.265 1.674
129 HB2 LEU 16 HB2 LEU 16 -3.534 1.345 1.752
130 HB3 LEU 16 HB3 LEU 16 -2.410 0.239 0.974
131 HG LEU 16 HG LEU 16 -3.584 0.455 -1.161
132 HD11 LEU 16 1HD1 LEU 16 -5.881 0.841 -0.374
133 HD12 LEU 16 2HD1 LEU 16 -5.404 2.397 0.336
134 HD13 LEU 16 3HD1 LEU 16 -5.371 2.158 -1.431
135 HD21 LEU 16 3HD2 LEU 16 -2.994 3.142 0.156
136 HD22 LEU 16 1HD2 LEU 16 -1.793 2.051 -0.577
137 HD23 LEU 16 2HD2 LEU 16 -3.027 2.812 -1.591
138 H LEU 17 H LEU 17 -3.193 -2.937 1.396
139 HA LEU 17 HA LEU 17 -4.281 -3.758 -1.223
140 HB2 LEU 17 HB2 LEU 17 -2.473 -4.859 -1.685
141 HB3 LEU 17 HB3 LEU 17 -1.789 -3.787 -0.494
142 HG LEU 17 HG LEU 17 -2.150 -5.703 1.182
143 HD11 LEU 17 1HD1 LEU 17 -3.541 -7.247 -0.192
144 HD12 LEU 17 2HD1 LEU 17 -2.262 -7.297 -1.419
145 HD13 LEU 17 3HD1 LEU 17 -1.991 -7.980 0.197
146 HD21 LEU 17 3HD2 LEU 17 0.044 -4.931 0.272
147 HD22 LEU 17 1HD2 LEU 17 0.009 -6.675 0.575
148 HD23 LEU 17 2HD2 LEU 17 -0.149 -6.055 -1.083
149 H PHE 18 H PHE 18 -4.429 -4.914 2.187
150 HA PHE 18 HA PHE 18 -6.010 -7.234 1.210
151 HB2 PHE 18 HB2 PHE 18 -5.916 -8.128 3.346
152 HB3 PHE 18 HB3 PHE 18 -4.320 -7.541 2.951
153 HD1 PHE 18 HD1 PHE 18 -7.407 -6.747 4.876
154 HD2 PHE 18 HD2 PHE 18 -3.159 -6.184 4.516
155 HE1 PHE 18 HE1 PHE 18 -7.361 -5.692 7.140
156 HE2 PHE 18 HE2 PHE 18 -3.096 -5.147 6.789
157 HZ PHE 18 HZ PHE 18 -5.199 -4.901 8.089
158 H SER 19 H SER 19 -6.603 -4.141 2.825
159 HA SER 19 HA SER 19 -9.249 -4.507 3.695
160 HB2 SER 19 HB2 SER 19 -7.811 -2.095 2.598
161 HB3 SER 19 HB3 SER 19 -9.463 -1.988 3.270
162 HG SER 19 HG SER 19 -7.041 -2.381 4.489
163 H GLN 20 H GLN 20 -8.159 -4.228 0.387
164 HA GLN 20 HA GLN 20 -10.637 -3.267 -0.758
165 HB2 GLN 20 HB2 GLN 20 -8.167 -4.556 -1.950
166 HB3 GLN 20 HB3 GLN 20 -9.421 -3.786 -2.903
167 HG2 GLN 20 HG2 GLN 20 -8.043 -2.212 -0.673
168 HG3 GLN 20 HG3 GLN 20 -7.210 -2.475 -2.203
169 HE21 GLN 20 2HE2 GLN 20 -8.378 -0.020 -0.781
170 HE22 GLN 20 1HE2 GLN 20 -9.272 0.757 -2.075
171 H LEU 21 H LEU 21 -9.043 -6.485 -0.919
172 HA LEU 21 HA LEU 21 -11.278 -8.122 -1.708
173 HB2 LEU 21 HB2 LEU 21 -9.217 -9.146 -1.765
174 HB3 LEU 21 HB3 LEU 21 -8.629 -8.422 -0.282
175 HG LEU 21 HG LEU 21 -10.754 -10.595 -0.203
176 HD11 LEU 21 1HD1 LEU 21 -8.821 -11.429 -1.474
177 HD12 LEU 21 2HD1 LEU 21 -7.729 -10.924 -0.159
178 HD13 LEU 21 3HD1 LEU 21 -8.940 -12.201 0.106
179 HD21 LEU 21 3HD2 LEU 21 -9.549 -11.044 2.026
180 HD22 LEU 21 1HD2 LEU 21 -8.736 -9.481 1.814
181 HD23 LEU 21 2HD2 LEU 21 -10.491 -9.577 2.010
182 H SER 22 H SER 22 -10.359 -6.742 1.419
183 HA SER 22 HA SER 22 -12.481 -8.161 2.819
184 HB2 SER 22 HB2 SER 22 -10.808 -5.918 3.923
185 HB3 SER 22 HB3 SER 22 -11.663 -7.248 4.730
186 HG SER 22 HG SER 22 -9.343 -7.466 3.147
187 H SER 23 H SER 23 -12.798 -5.808 0.680
188 HA SER 23 HA SER 23 -14.951 -4.311 2.078
189 HB2 SER 23 HB2 SER 23 -12.954 -3.004 1.195
190 HB3 SER 23 HB3 SER 23 -13.522 -3.397 -0.430
191 HG SER 23 HG SER 23 -14.977 -2.056 1.636
192 H VAL 24 H VAL 24 -14.999 -7.053 0.663
193 HA VAL 24 HA VAL 24 -16.781 -6.558 -1.620
194 HB VAL 24 HB VAL 24 -15.169 -8.918 -0.625
195 HG11 VAL 24 1HG1 VAL 24 -16.684 -8.641 -3.200
196 HG12 VAL 24 2HG1 VAL 24 -15.572 -9.963 -2.726
197 HG13 VAL 24 3HG1 VAL 24 -17.081 -9.708 -1.822
198 HG21 VAL 24 3HG2 VAL 24 -14.758 -7.119 -3.061
199 HG22 VAL 24 1HG2 VAL 24 -13.752 -7.106 -1.596
200 HG23 VAL 24 2HG2 VAL 24 -13.765 -8.531 -2.637
201 H LYS 25 H LYS 25 -16.527 -9.152 0.825
202 HA LYS 25 HA LYS 25 -19.410 -9.088 1.289
203 HB2 LYS 25 HB2 LYS 25 -17.192 -11.035 2.044
204 HB3 LYS 25 HB3 LYS 25 -18.854 -11.231 2.572
205 HG2 LYS 25 HG2 LYS 25 -17.974 -11.167 -0.340
206 HG3 LYS 25 HG3 LYS 25 -18.264 -12.621 0.603
207 HD2 LYS 25 HD2 LYS 25 -20.635 -12.063 0.865
208 HD3 LYS 25 HD3 LYS 25 -20.400 -10.490 0.101
209 HE2 LYS 25 HE2 LYS 25 -21.414 -11.982 -1.469
210 HE3 LYS 25 HE3 LYS 25 -19.791 -11.523 -2.022
211 HZ1 LYS 25 HZ1 LYS 25 -20.134 -14.022 -0.498
212 HZ2 LYS 25 HZ2 LYS 25 -20.554 -13.993 -2.091
213 HZ3 LYS 25 HZ3 LYS 25 -19.007 -13.626 -1.634
214 H ALA 26 H ALA 26 -17.136 -7.249 2.354
215 HA ALA 26 HA ALA 26 -18.343 -6.764 4.989
216 HB1 ALA 26 HB1 ALA 26 -16.646 -8.450 5.494
217 HB2 ALA 26 HB2 ALA 26 -15.417 -7.538 4.606
218 HB3 ALA 26 HB3 ALA 26 -16.101 -6.889 6.110
219 H ARG 27 H ARG 27 -17.033 -4.752 6.002
220 HA ARG 27 HA ARG 27 -17.330 -2.586 4.130
221 HB2 ARG 27 HB2 ARG 27 -16.287 -2.630 6.992
222 HB3 ARG 27 HB3 ARG 27 -16.575 -1.171 6.043
223 HG2 ARG 27 HG2 ARG 27 -18.936 -1.771 5.767
224 HG3 ARG 27 HG3 ARG 27 -18.729 -3.223 6.739
225 HD2 ARG 27 HD2 ARG 27 -17.943 -0.507 7.850
226 HD3 ARG 27 HD3 ARG 27 -19.622 -1.003 7.827
227 HE ARG 27 HE ARG 27 -17.436 -2.433 9.306
228 HH11 ARG 27 1HH1 ARG 27 -20.893 -1.827 9.035
229 HH12 ARG 27 2HH1 ARG 27 -21.155 -2.088 10.745
230 HH21 ARG 27 1HH2 ARG 27 -17.910 -3.182 11.247
231 HH22 ARG 27 2HH2 ARG 27 -19.543 -3.098 11.902
232 H GLY 28 H GLY 28 -14.334 -3.651 5.805
233 HA2 GLY 28 HA2 GLY 28 -12.139 -3.674 5.054
234 HA3 GLY 28 HA3 GLY 28 -12.785 -3.493 3.440
235 H ILE 29 H ILE 29 -12.689 -1.578 2.407
236 HA ILE 29 HA ILE 29 -10.657 0.254 2.900
237 HB ILE 29 HB ILE 29 -13.206 0.445 1.254
238 HG12 ILE 29 2HG1 ILE 29 -10.406 -0.027 0.229
239 HG13 ILE 29 3HG1 ILE 29 -11.339 -1.386 0.769
240 HG21 ILE 29 1HG2 ILE 29 -12.020 2.204 -0.100
241 HG22 ILE 29 2HG2 ILE 29 -12.438 2.738 1.520
242 HG23 ILE 29 3HG2 ILE 29 -10.764 2.259 1.144
243 HD11 ILE 29 3HD1 ILE 29 -11.671 -1.267 -1.584
244 HD12 ILE 29 1HD1 ILE 29 -13.175 -0.680 -0.869
245 HD13 ILE 29 2HD1 ILE 29 -12.009 0.471 -1.538
246 H LYS 30 H LYS 30 -10.488 2.251 3.789
247 HA LYS 30 HA LYS 30 -12.642 3.209 5.622
248 HB2 LYS 30 HB2 LYS 30 -9.685 3.950 5.570
249 HB3 LYS 30 HB3 LYS 30 -10.858 4.332 6.822
250 HG2 LYS 30 HG2 LYS 30 -9.661 1.617 6.147
251 HG3 LYS 30 HG3 LYS 30 -9.491 2.552 7.637
252 HD2 LYS 30 HD2 LYS 30 -11.983 2.284 7.987
253 HD3 LYS 30 HD3 LYS 30 -12.015 1.167 6.624
254 HE2 LYS 30 HE2 LYS 30 -10.553 0.824 9.252
255 HE3 LYS 30 HE3 LYS 30 -11.981 -0.044 8.702
256 HZ1 LYS 30 HZ1 LYS 30 -10.563 -0.911 6.849
257 HZ2 LYS 30 HZ2 LYS 30 -9.234 -0.288 7.659
258 HZ3 LYS 30 HZ3 LYS 30 -10.168 -1.424 8.364
Start of MODEL 15
1 H1 MET 1 H1 MET 1 12.729 11.132 -6.275
2 H2 MET 1 H2 MET 1 14.219 11.811 -6.109
3 H3 MET 1 H3 MET 1 12.892 12.530 -5.442
4 HA MET 1 HA MET 1 13.963 9.906 -4.673
5 HB2 MET 1 HB2 MET 1 15.464 11.726 -3.958
6 HB3 MET 1 HB3 MET 1 14.115 12.556 -3.185
7 HG2 MET 1 HG2 MET 1 15.512 11.281 -1.579
8 HG3 MET 1 HG3 MET 1 13.828 10.755 -1.586
9 HE1 MET 1 HE1 MET 1 17.566 9.842 -2.419
10 HE2 MET 1 HE2 MET 1 17.385 8.368 -3.390
11 HE3 MET 1 HE3 MET 1 16.876 9.924 -4.058
12 H ARG 2 H ARG 2 12.518 8.609 -3.610
13 HA ARG 2 HA ARG 2 10.020 9.874 -2.553
14 HB2 ARG 2 HB2 ARG 2 8.701 8.101 -3.443
15 HB3 ARG 2 HB3 ARG 2 9.618 8.853 -4.732
16 HG2 ARG 2 HG2 ARG 2 11.258 6.942 -4.632
17 HG3 ARG 2 HG3 ARG 2 10.220 6.152 -3.432
18 HD2 ARG 2 HD2 ARG 2 9.363 6.940 -6.245
19 HD3 ARG 2 HD3 ARG 2 9.883 5.305 -5.756
20 HE ARG 2 HE ARG 2 7.795 6.169 -4.058
21 HH11 ARG 2 1HH1 ARG 2 8.071 5.111 -7.395
22 HH12 ARG 2 2HH1 ARG 2 6.366 4.669 -7.437
23 HH21 ARG 2 1HH2 ARG 2 5.748 5.472 -4.159
24 HH22 ARG 2 2HH2 ARG 2 5.160 4.725 -5.622
25 H LYS 3 H LYS 3 8.993 8.979 -0.764
26 HA LYS 3 HA LYS 3 10.877 7.886 1.167
27 HB2 LYS 3 HB2 LYS 3 9.310 8.443 2.848
28 HB3 LYS 3 HB3 LYS 3 9.376 9.761 1.685
29 HG2 LYS 3 HG2 LYS 3 7.210 8.976 0.694
30 HG3 LYS 3 HG3 LYS 3 7.178 7.657 1.855
31 HD2 LYS 3 HD2 LYS 3 5.711 9.303 2.700
32 HD3 LYS 3 HD3 LYS 3 7.155 9.350 3.725
33 HE2 LYS 3 HE2 LYS 3 7.973 11.325 2.417
34 HE3 LYS 3 HE3 LYS 3 6.523 11.249 1.412
35 HZ1 LYS 3 HZ1 LYS 3 6.581 11.857 4.333
36 HZ2 LYS 3 HZ2 LYS 3 6.252 12.893 3.124
37 HZ3 LYS 3 HZ3 LYS 3 5.197 11.703 3.440
38 H HIS 4 H HIS 4 10.070 5.979 -0.917
39 HA HIS 4 HA HIS 4 8.456 3.986 0.624
40 HB2 HIS 4 HB2 HIS 4 8.562 4.301 -2.379
41 HB3 HIS 4 HB3 HIS 4 7.442 3.321 -1.428
42 HD2 HIS 4 HD2 HIS 4 6.339 5.335 0.664
43 HE1 HIS 4 HE1 HIS 4 5.698 8.157 -2.453
44 HE2 HIS 4 HE2 HIS 4 5.065 7.511 -0.069
45 H LEU 5 H LEU 5 9.107 1.980 0.862
46 HA LEU 5 HA LEU 5 11.459 0.809 -0.437
47 HB2 LEU 5 HB2 LEU 5 12.809 0.712 1.569
48 HB3 LEU 5 HB3 LEU 5 12.541 2.364 1.094
49 HG LEU 5 HG LEU 5 10.617 1.284 3.132
50 HD11 LEU 5 1HD1 LEU 5 12.771 0.312 3.895
51 HD12 LEU 5 2HD1 LEU 5 13.477 1.937 3.886
52 HD13 LEU 5 3HD1 LEU 5 12.139 1.555 4.989
53 HD21 LEU 5 3HD2 LEU 5 10.513 3.659 2.466
54 HD22 LEU 5 1HD2 LEU 5 10.971 3.498 4.165
55 HD23 LEU 5 2HD2 LEU 5 12.206 3.877 2.949
56 H GLY 6 H GLY 6 11.625 -0.752 2.334
57 HA2 GLY 6 HA2 GLY 6 9.202 -2.487 2.001
58 HA3 GLY 6 HA3 GLY 6 10.827 -3.161 1.924
59 H GLY 7 H GLY 7 10.936 -0.723 4.203
60 HA2 GLY 7 HA2 GLY 7 10.967 -2.496 6.516
61 HA3 GLY 7 HA3 GLY 7 11.348 -0.792 6.462
62 H CYS 8 H CYS 8 10.133 -0.086 8.211
63 HA CYS 8 HA CYS 8 7.474 -0.595 8.939
64 HB2 CYS 8 HB2 CYS 8 9.187 1.925 9.046
65 HB3 CYS 8 HB3 CYS 8 7.575 1.842 9.748
66 HG CYS 8 HG CYS 8 9.574 1.591 11.513
67 H TRP 9 H TRP 9 8.593 1.284 6.174
68 HA TRP 9 HA TRP 9 6.285 2.732 5.540
69 HB2 TRP 9 HB2 TRP 9 8.169 3.242 4.246
70 HB3 TRP 9 HB3 TRP 9 8.607 1.566 4.089
71 HD1 TRP 9 HD1 TRP 9 7.880 0.214 2.180
72 HE1 TRP 9 HE1 TRP 9 6.383 0.486 0.097
73 HE3 TRP 9 HE3 TRP 9 5.514 4.488 3.550
74 HZ2 TRP 9 HZ2 TRP 9 4.303 2.281 -0.749
75 HZ3 TRP 9 HZ3 TRP 9 3.556 5.291 2.242
76 HH2 TRP 9 HH2 TRP 9 2.974 4.232 0.079
77 H LEU 10 H LEU 10 6.992 -0.745 4.934
78 HA LEU 10 HA LEU 10 4.953 -1.084 2.998
79 HB2 LEU 10 HB2 LEU 10 7.077 -2.316 3.295
80 HB3 LEU 10 HB3 LEU 10 6.455 -3.045 4.777
81 HG LEU 10 HG LEU 10 4.624 -4.059 3.449
82 HD11 LEU 10 1HD1 LEU 10 6.282 -3.073 1.082
83 HD12 LEU 10 2HD1 LEU 10 4.983 -4.286 0.964
84 HD13 LEU 10 3HD1 LEU 10 4.604 -2.635 1.443
85 HD21 LEU 10 3HD2 LEU 10 6.642 -5.334 4.061
86 HD22 LEU 10 1HD2 LEU 10 6.028 -5.852 2.484
87 HD23 LEU 10 2HD2 LEU 10 7.446 -4.786 2.571
88 H ALA 11 H ALA 11 4.866 -1.101 6.480
89 HA ALA 11 HA ALA 11 2.371 -2.464 6.863
90 HB1 ALA 11 HB1 ALA 11 4.113 -2.064 8.594
91 HB2 ALA 11 HB2 ALA 11 3.753 -0.330 8.533
92 HB3 ALA 11 HB3 ALA 11 2.509 -1.488 9.079
93 H ILE 12 H ILE 12 3.030 0.601 5.377
94 HA ILE 12 HA ILE 12 0.256 1.614 5.841
95 HB ILE 12 HB ILE 12 2.613 2.809 4.322
96 HG12 ILE 12 2HG1 ILE 12 1.817 4.630 6.231
97 HG13 ILE 12 3HG1 ILE 12 1.376 3.154 7.063
98 HG21 ILE 12 1HG2 ILE 12 1.208 4.820 4.046
99 HG22 ILE 12 2HG2 ILE 12 0.576 3.463 3.137
100 HG23 ILE 12 3HG2 ILE 12 -0.194 3.931 4.676
101 HD11 ILE 12 3HD1 ILE 12 3.723 2.350 6.832
102 HD12 ILE 12 1HD1 ILE 12 4.128 3.827 5.921
103 HD13 ILE 12 2HD1 ILE 12 3.633 3.929 7.625
104 H VAL 13 H VAL 13 2.200 0.052 3.338
105 HA VAL 13 HA VAL 13 0.070 -0.027 1.359
106 HB VAL 13 HB VAL 13 2.359 -1.992 1.542
107 HG11 VAL 13 1HG1 VAL 13 0.772 -0.882 -0.816
108 HG12 VAL 13 2HG1 VAL 13 2.107 -2.048 -0.911
109 HG13 VAL 13 3HG1 VAL 13 0.599 -2.508 -0.118
110 HG21 VAL 13 3HG2 VAL 13 2.404 0.787 0.295
111 HG22 VAL 13 1HG2 VAL 13 3.411 0.230 1.646
112 HG23 VAL 13 2HG2 VAL 13 3.634 -0.467 0.043
113 H CYS 14 H CYS 14 1.117 -2.254 3.949
114 HA CYS 14 HA CYS 14 -0.563 -4.418 3.565
115 HB2 CYS 14 HB2 CYS 14 0.256 -2.972 6.108
116 HB3 CYS 14 HB3 CYS 14 -0.641 -4.474 6.136
117 HG CYS 14 HG CYS 14 2.230 -3.855 4.676
118 H VAL 15 H VAL 15 -1.545 -1.554 5.484
119 HA VAL 15 HA VAL 15 -4.184 -2.531 5.906
120 HB VAL 15 HB VAL 15 -3.017 -1.079 7.335
121 HG11 VAL 15 1HG1 VAL 15 -3.359 1.118 5.263
122 HG12 VAL 15 2HG1 VAL 15 -2.809 1.360 6.934
123 HG13 VAL 15 3HG1 VAL 15 -1.828 0.395 5.828
124 HG21 VAL 15 3HG2 VAL 15 -4.855 0.499 7.871
125 HG22 VAL 15 1HG2 VAL 15 -5.529 0.290 6.239
126 HG23 VAL 15 2HG2 VAL 15 -5.522 -1.077 7.383
127 H LEU 16 H LEU 16 -2.912 -0.615 3.284
128 HA LEU 16 HA LEU 16 -5.509 -0.002 2.052
129 HB2 LEU 16 HB2 LEU 16 -3.609 1.339 1.467
130 HB3 LEU 16 HB3 LEU 16 -2.583 -0.058 1.205
131 HG LEU 16 HG LEU 16 -3.887 -0.644 -0.832
132 HD11 LEU 16 1HD1 LEU 16 -5.214 2.049 -0.257
133 HD12 LEU 16 2HD1 LEU 16 -5.377 1.134 -1.769
134 HD13 LEU 16 3HD1 LEU 16 -6.016 0.462 -0.262
135 HD21 LEU 16 3HD2 LEU 16 -1.817 0.670 -0.978
136 HD22 LEU 16 1HD2 LEU 16 -2.981 1.180 -2.209
137 HD23 LEU 16 2HD2 LEU 16 -2.740 2.178 -0.759
138 H LEU 17 H LEU 17 -3.006 -2.589 1.808
139 HA LEU 17 HA LEU 17 -4.345 -3.793 -0.419
140 HB2 LEU 17 HB2 LEU 17 -2.608 -5.136 -0.715
141 HB3 LEU 17 HB3 LEU 17 -1.876 -3.817 0.175
142 HG LEU 17 HG LEU 17 -2.250 -5.366 2.242
143 HD11 LEU 17 1HD1 LEU 17 -3.528 -7.200 1.129
144 HD12 LEU 17 2HD1 LEU 17 -2.153 -7.460 0.041
145 HD13 LEU 17 3HD1 LEU 17 -1.991 -7.765 1.779
146 HD21 LEU 17 3HD2 LEU 17 -0.030 -6.371 1.881
147 HD22 LEU 17 1HD2 LEU 17 -0.153 -6.033 0.138
148 HD23 LEU 17 2HD2 LEU 17 -0.047 -4.698 1.297
149 H PHE 18 H PHE 18 -4.659 -4.430 3.042
150 HA PHE 18 HA PHE 18 -6.366 -6.764 2.417
151 HB2 PHE 18 HB2 PHE 18 -6.682 -7.126 4.722
152 HB3 PHE 18 HB3 PHE 18 -5.000 -7.102 4.262
153 HD1 PHE 18 HD2 PHE 18 -7.664 -5.007 5.758
154 HD2 PHE 18 HD1 PHE 18 -3.448 -5.778 5.512
155 HE1 PHE 18 HE2 PHE 18 -7.298 -3.649 7.824
156 HE2 PHE 18 HE1 PHE 18 -3.080 -4.541 7.652
157 HZ PHE 18 HZ PHE 18 -5.021 -3.485 8.802
158 H SER 19 H SER 19 -6.816 -3.386 3.437
159 HA SER 19 HA SER 19 -9.631 -3.445 3.853
160 HB2 SER 19 HB2 SER 19 -7.762 -1.338 2.730
161 HB3 SER 19 HB3 SER 19 -9.497 -1.032 3.003
162 HG SER 19 HG SER 19 -7.418 -1.433 4.784
163 H GLN 20 H GLN 20 -7.774 -3.171 0.846
164 HA GLN 20 HA GLN 20 -10.027 -2.856 -0.943
165 HB2 GLN 20 HB2 GLN 20 -7.177 -3.792 -1.397
166 HB3 GLN 20 HB3 GLN 20 -8.292 -3.378 -2.688
167 HG2 GLN 20 HG2 GLN 20 -7.689 -1.377 -0.475
168 HG3 GLN 20 HG3 GLN 20 -6.518 -1.621 -1.769
169 HE21 GLN 20 2HE2 GLN 20 -8.282 0.657 -0.783
170 HE22 GLN 20 1HE2 GLN 20 -8.966 1.237 -2.293
171 H LEU 21 H LEU 21 -8.012 -5.698 -0.104
172 HA LEU 21 HA LEU 21 -9.518 -7.733 -1.419
173 HB2 LEU 21 HB2 LEU 21 -7.561 -8.514 -0.671
174 HB3 LEU 21 HB3 LEU 21 -7.514 -7.531 0.753
175 HG LEU 21 HG LEU 21 -9.362 -9.932 0.657
176 HD11 LEU 21 1HD1 LEU 21 -7.538 -11.241 1.689
177 HD12 LEU 21 2HD1 LEU 21 -7.133 -10.745 0.046
178 HD13 LEU 21 3HD1 LEU 21 -6.406 -9.892 1.419
179 HD21 LEU 21 3HD2 LEU 21 -9.543 -8.302 2.615
180 HD22 LEU 21 1HD2 LEU 21 -8.994 -9.898 3.099
181 HD23 LEU 21 2HD2 LEU 21 -7.842 -8.550 2.944
182 H SER 22 H SER 22 -10.170 -6.093 1.621
183 HA SER 22 HA SER 22 -12.221 -7.932 2.453
184 HB2 SER 22 HB2 SER 22 -10.732 -6.596 3.989
185 HB3 SER 22 HB3 SER 22 -11.418 -5.176 3.366
186 HG SER 22 HG SER 22 -12.508 -7.224 4.971
187 H SER 23 H SER 23 -12.320 -4.687 0.956
188 HA SER 23 HA SER 23 -14.905 -3.976 1.603
189 HB2 SER 23 HB2 SER 23 -13.166 -2.495 0.649
190 HB3 SER 23 HB3 SER 23 -13.350 -3.260 -0.928
191 HG SER 23 HG SER 23 -15.229 -2.287 -1.229
192 H VAL 24 H VAL 24 -14.082 -6.190 -0.991
193 HA VAL 24 HA VAL 24 -16.636 -6.135 -2.265
194 HB VAL 24 HB VAL 24 -15.760 -8.057 -3.426
195 HG11 VAL 24 1HG1 VAL 24 -13.886 -7.004 -4.554
196 HG12 VAL 24 2HG1 VAL 24 -14.978 -5.712 -4.016
197 HG13 VAL 24 3HG1 VAL 24 -13.484 -6.055 -3.108
198 HG21 VAL 24 3HG2 VAL 24 -13.392 -8.064 -1.565
199 HG22 VAL 24 1HG2 VAL 24 -14.565 -9.380 -1.832
200 HG23 VAL 24 2HG2 VAL 24 -13.458 -8.920 -3.113
201 H LYS 25 H LYS 25 -15.221 -8.239 0.185
202 HA LYS 25 HA LYS 25 -17.698 -9.823 0.321
203 HB2 LYS 25 HB2 LYS 25 -16.339 -11.379 1.694
204 HB3 LYS 25 HB3 LYS 25 -15.705 -11.113 0.077
205 HG2 LYS 25 HG2 LYS 25 -13.906 -9.740 0.864
206 HG3 LYS 25 HG3 LYS 25 -14.633 -9.571 2.473
207 HD2 LYS 25 HD2 LYS 25 -12.706 -11.113 2.464
208 HD3 LYS 25 HD3 LYS 25 -14.212 -11.865 2.997
209 HE2 LYS 25 HE2 LYS 25 -14.511 -12.919 0.777
210 HE3 LYS 25 HE3 LYS 25 -13.031 -12.127 0.195
211 HZ1 LYS 25 HZ1 LYS 25 -11.767 -13.422 1.805
212 HZ2 LYS 25 HZ2 LYS 25 -13.095 -14.087 2.436
213 HZ3 LYS 25 HZ3 LYS 25 -12.691 -14.450 0.891
214 H ALA 26 H ALA 26 -16.611 -7.118 1.739
215 HA ALA 26 HA ALA 26 -18.116 -7.388 4.296
216 HB1 ALA 26 HB1 ALA 26 -15.910 -8.622 4.565
217 HB2 ALA 26 HB2 ALA 26 -15.089 -7.081 4.255
218 HB3 ALA 26 HB3 ALA 26 -16.124 -7.279 5.686
219 H ARG 27 H ARG 27 -16.570 -5.352 5.663
220 HA ARG 27 HA ARG 27 -17.530 -2.857 4.419
221 HB2 ARG 27 HB2 ARG 27 -16.020 -3.483 6.993
222 HB3 ARG 27 HB3 ARG 27 -16.431 -1.857 6.461
223 HG2 ARG 27 HG2 ARG 27 -18.759 -3.558 6.408
224 HG3 ARG 27 HG3 ARG 27 -18.031 -3.509 8.018
225 HD2 ARG 27 HD2 ARG 27 -19.714 -1.746 7.804
226 HD3 ARG 27 HD3 ARG 27 -18.116 -1.043 7.981
227 HE ARG 27 HE ARG 27 -18.193 -0.188 5.825
228 HH11 ARG 27 1HH1 ARG 27 -21.076 -2.186 6.263
229 HH12 ARG 27 2HH1 ARG 27 -21.762 -1.621 4.760
230 HH21 ARG 27 1HH2 ARG 27 -19.121 0.383 3.941
231 HH22 ARG 27 2HH2 ARG 27 -20.772 -0.154 3.567
232 H GLY 28 H GLY 28 -14.313 -4.028 5.427
233 HA2 GLY 28 HA2 GLY 28 -12.197 -3.732 4.554
234 HA3 GLY 28 HA3 GLY 28 -12.992 -3.452 3.010
235 H ILE 29 H ILE 29 -12.446 -1.652 2.077
236 HA ILE 29 HA ILE 29 -11.109 0.564 3.023
237 HB ILE 29 HB ILE 29 -13.201 0.505 0.834
238 HG12 ILE 29 2HG1 ILE 29 -10.224 0.253 0.321
239 HG13 ILE 29 3HG1 ILE 29 -11.175 -1.167 0.635
240 HG21 ILE 29 1HG2 ILE 29 -11.908 2.401 -0.186
241 HG22 ILE 29 2HG2 ILE 29 -12.636 2.833 1.345
242 HG23 ILE 29 3HG2 ILE 29 -10.899 2.463 1.267
243 HD11 ILE 29 3HD1 ILE 29 -11.088 -0.944 -1.731
244 HD12 ILE 29 1HD1 ILE 29 -12.735 -0.531 -1.246
245 HD13 ILE 29 2HD1 ILE 29 -11.587 0.752 -1.676
246 H LYS 30 H LYS 30 -14.562 0.216 2.949
247 HA LYS 30 HA LYS 30 -14.995 2.370 4.916
248 HB2 LYS 30 HB2 LYS 30 -14.630 3.538 2.678
249 HB3 LYS 30 HB3 LYS 30 -16.148 2.802 2.155
250 HG2 LYS 30 HG2 LYS 30 -17.194 3.839 4.262
251 HG3 LYS 30 HG3 LYS 30 -15.676 4.705 4.496
252 HD2 LYS 30 HD2 LYS 30 -15.986 5.880 2.359
253 HD3 LYS 30 HD3 LYS 30 -17.441 4.918 2.008
254 HE2 LYS 30 HE2 LYS 30 -18.553 5.759 4.013
255 HE3 LYS 30 HE3 LYS 30 -17.112 6.657 4.490
256 HZ1 LYS 30 HZ1 LYS 30 -18.813 8.015 3.402
257 HZ2 LYS 30 HZ2 LYS 30 -17.381 8.089 2.609
258 HZ3 LYS 30 HZ3 LYS 30 -18.615 7.181 1.987
Start of MODEL 16
1 H1 MET 1 H1 MET 1 15.680 12.678 -2.385
2 H2 MET 1 H2 MET 1 14.044 12.888 -2.320
3 H3 MET 1 H3 MET 1 14.685 11.871 -3.421
4 HA MET 1 HA MET 1 15.477 10.379 -1.734
5 HB2 MET 1 HB2 MET 1 15.916 11.829 0.085
6 HB3 MET 1 HB3 MET 1 14.271 12.468 0.087
7 HG2 MET 1 HG2 MET 1 14.593 11.002 1.989
8 HG3 MET 1 HG3 MET 1 13.377 10.361 0.902
9 HE1 MET 1 HE1 MET 1 17.526 8.546 1.820
10 HE2 MET 1 HE2 MET 1 17.394 10.155 1.083
11 HE3 MET 1 HE3 MET 1 16.726 9.867 2.705
12 H ARG 2 H ARG 2 14.335 8.601 -1.967
13 HA ARG 2 HA ARG 2 11.603 8.637 -2.848
14 HB2 ARG 2 HB2 ARG 2 13.337 7.054 -3.581
15 HB3 ARG 2 HB3 ARG 2 13.434 6.406 -1.945
16 HG2 ARG 2 HG2 ARG 2 11.055 5.643 -2.158
17 HG3 ARG 2 HG3 ARG 2 11.078 6.176 -3.841
18 HD2 ARG 2 HD2 ARG 2 12.949 4.110 -2.595
19 HD3 ARG 2 HD3 ARG 2 11.508 3.730 -3.534
20 HE ARG 2 HE ARG 2 12.536 4.774 -5.503
21 HH11 ARG 2 1HH1 ARG 2 14.904 3.979 -3.012
22 HH12 ARG 2 2HH1 ARG 2 16.074 3.515 -4.209
23 HH21 ARG 2 1HH2 ARG 2 14.199 4.437 -6.886
24 HH22 ARG 2 2HH2 ARG 2 15.579 3.493 -6.320
25 H LYS 3 H LYS 3 9.797 8.557 -1.796
26 HA LYS 3 HA LYS 3 9.332 8.489 1.013
27 HB2 LYS 3 HB2 LYS 3 7.846 9.574 -0.526
28 HB3 LYS 3 HB3 LYS 3 7.667 8.116 -1.485
29 HG2 LYS 3 HG2 LYS 3 6.409 7.103 0.513
30 HG3 LYS 3 HG3 LYS 3 6.335 8.751 1.147
31 HD2 LYS 3 HD2 LYS 3 5.380 7.842 -1.619
32 HD3 LYS 3 HD3 LYS 3 4.322 8.045 -0.223
33 HE2 LYS 3 HE2 LYS 3 4.526 10.391 -0.220
34 HE3 LYS 3 HE3 LYS 3 6.000 10.378 -1.194
35 HZ1 LYS 3 HZ1 LYS 3 4.770 9.782 -3.125
36 HZ2 LYS 3 HZ2 LYS 3 3.377 9.539 -2.318
37 HZ3 LYS 3 HZ3 LYS 3 3.971 11.051 -2.440
38 H HIS 4 H HIS 4 9.162 6.014 -1.339
39 HA HIS 4 HA HIS 4 8.241 3.888 0.463
40 HB2 HIS 4 HB2 HIS 4 9.352 3.575 -2.344
41 HB3 HIS 4 HB3 HIS 4 8.339 2.440 -1.465
42 HD2 HIS 4 HD2 HIS 4 6.205 4.941 -0.571
43 HE1 HIS 4 HE1 HIS 4 5.349 4.845 -4.744
44 HE2 HIS 4 HE2 HIS 4 4.504 5.616 -2.462
45 H LEU 5 H LEU 5 9.321 1.862 0.815
46 HA LEU 5 HA LEU 5 12.073 1.395 0.265
47 HB2 LEU 5 HB2 LEU 5 13.071 1.507 2.440
48 HB3 LEU 5 HB3 LEU 5 12.483 3.076 2.020
49 HG LEU 5 HG LEU 5 10.536 1.469 3.616
50 HD11 LEU 5 1HD1 LEU 5 13.141 2.378 4.876
51 HD12 LEU 5 2HD1 LEU 5 11.703 1.786 5.729
52 HD13 LEU 5 3HD1 LEU 5 12.610 0.695 4.672
53 HD21 LEU 5 3HD2 LEU 5 10.271 3.914 3.096
54 HD22 LEU 5 1HD2 LEU 5 10.293 3.571 4.835
55 HD23 LEU 5 2HD2 LEU 5 11.731 4.245 4.042
56 H GLY 6 H GLY 6 12.298 -0.214 2.849
57 HA2 GLY 6 HA2 GLY 6 10.451 -2.486 2.356
58 HA3 GLY 6 HA3 GLY 6 12.208 -2.752 2.299
59 H GLY 7 H GLY 7 9.620 -1.410 4.295
60 HA2 GLY 7 HA2 GLY 7 10.673 -2.147 6.847
61 HA3 GLY 7 HA3 GLY 7 11.198 -0.528 6.419
62 H CYS 8 H CYS 8 9.948 0.663 7.882
63 HA CYS 8 HA CYS 8 7.215 0.378 8.482
64 HB2 CYS 8 HB2 CYS 8 9.160 2.691 8.525
65 HB3 CYS 8 HB3 CYS 8 7.443 2.965 8.882
66 HG CYS 8 HG CYS 8 7.151 1.540 10.884
67 H TRP 9 H TRP 9 8.401 1.501 5.404
68 HA TRP 9 HA TRP 9 6.051 2.944 4.614
69 HB2 TRP 9 HB2 TRP 9 7.956 3.313 3.307
70 HB3 TRP 9 HB3 TRP 9 8.371 1.626 3.294
71 HD1 TRP 9 HD1 TRP 9 7.799 0.195 1.462
72 HE1 TRP 9 HE1 TRP 9 6.363 0.326 -0.695
73 HE3 TRP 9 HE3 TRP 9 5.275 4.496 2.493
74 HZ2 TRP 9 HZ2 TRP 9 4.066 1.869 -1.566
75 HZ3 TRP 9 HZ3 TRP 9 3.324 5.166 1.114
76 HH2 TRP 9 HH2 TRP 9 2.702 3.859 -0.904
77 H LEU 10 H LEU 10 6.786 -0.552 4.679
78 HA LEU 10 HA LEU 10 4.584 -1.298 2.973
79 HB2 LEU 10 HB2 LEU 10 6.071 -2.923 5.069
80 HB3 LEU 10 HB3 LEU 10 4.971 -3.584 3.863
81 HG LEU 10 HG LEU 10 7.579 -2.142 3.249
82 HD11 LEU 10 1HD1 LEU 10 8.387 -4.373 2.585
83 HD12 LEU 10 2HD1 LEU 10 7.921 -4.344 4.294
84 HD13 LEU 10 3HD1 LEU 10 6.847 -5.093 3.094
85 HD21 LEU 10 3HD2 LEU 10 5.653 -3.618 1.402
86 HD22 LEU 10 1HD2 LEU 10 5.991 -1.869 1.383
87 HD23 LEU 10 2HD2 LEU 10 7.258 -3.015 0.946
88 H ALA 11 H ALA 11 4.650 -0.373 6.346
89 HA ALA 11 HA ALA 11 2.185 -1.562 7.159
90 HB1 ALA 11 HB1 ALA 11 3.919 -0.582 8.659
91 HB2 ALA 11 HB2 ALA 11 3.498 1.043 8.064
92 HB3 ALA 11 HB3 ALA 11 2.307 0.083 8.952
93 H ILE 12 H ILE 12 2.793 1.184 5.020
94 HA ILE 12 HA ILE 12 -0.004 2.140 5.094
95 HB ILE 12 HB ILE 12 2.334 2.785 3.235
96 HG12 ILE 12 2HG1 ILE 12 1.690 5.139 4.444
97 HG13 ILE 12 3HG1 ILE 12 1.185 4.058 5.734
98 HG21 ILE 12 1HG2 ILE 12 0.936 4.620 2.378
99 HG22 ILE 12 2HG2 ILE 12 0.222 3.059 2.002
100 HG23 ILE 12 3HG2 ILE 12 -0.430 4.027 3.352
101 HD11 ILE 12 3HD1 ILE 12 3.945 4.094 4.419
102 HD12 ILE 12 1HD1 ILE 12 3.520 4.917 5.925
103 HD13 ILE 12 2HD1 ILE 12 3.481 3.143 5.851
104 H VAL 13 H VAL 13 2.048 0.082 3.042
105 HA VAL 13 HA VAL 13 0.080 -0.335 0.981
106 HB VAL 13 HB VAL 13 2.442 -2.151 1.556
107 HG11 VAL 13 1HG1 VAL 13 0.855 -2.981 -0.154
108 HG12 VAL 13 2HG1 VAL 13 0.959 -1.434 -1.011
109 HG13 VAL 13 3HG1 VAL 13 2.378 -2.498 -0.900
110 HG21 VAL 13 3HG2 VAL 13 3.735 -0.742 -0.030
111 HG22 VAL 13 1HG2 VAL 13 2.417 0.446 -0.027
112 HG23 VAL 13 2HG2 VAL 13 3.347 0.130 1.451
113 H CYS 14 H CYS 14 1.041 -2.351 3.761
114 HA CYS 14 HA CYS 14 -0.418 -4.673 3.177
115 HB2 CYS 14 HB2 CYS 14 0.324 -3.308 5.783
116 HB3 CYS 14 HB3 CYS 14 -0.398 -4.895 5.742
117 HG CYS 14 HG CYS 14 2.449 -3.755 4.582
118 H VAL 15 H VAL 15 -1.544 -2.061 5.367
119 HA VAL 15 HA VAL 15 -4.127 -3.183 5.652
120 HB VAL 15 HB VAL 15 -3.010 -1.736 7.184
121 HG11 VAL 15 1HG1 VAL 15 -3.738 0.553 5.309
122 HG12 VAL 15 2HG1 VAL 15 -3.032 0.718 6.931
123 HG13 VAL 15 3HG1 VAL 15 -2.095 -0.038 5.632
124 HG21 VAL 15 3HG2 VAL 15 -5.506 -2.023 7.281
125 HG22 VAL 15 1HG2 VAL 15 -5.025 -0.430 7.885
126 HG23 VAL 15 2HG2 VAL 15 -5.700 -0.589 6.244
127 H LEU 16 H LEU 16 -2.946 -0.997 3.170
128 HA LEU 16 HA LEU 16 -5.574 -0.384 2.050
129 HB2 LEU 16 HB2 LEU 16 -3.747 1.044 1.446
130 HB3 LEU 16 HB3 LEU 16 -2.675 -0.308 1.134
131 HG LEU 16 HG LEU 16 -4.027 -0.892 -0.906
132 HD11 LEU 16 1HD1 LEU 16 -5.266 1.857 -0.400
133 HD12 LEU 16 2HD1 LEU 16 -5.499 0.841 -1.844
134 HD13 LEU 16 3HD1 LEU 16 -6.120 0.310 -0.274
135 HD21 LEU 16 3HD2 LEU 16 -2.768 1.867 -0.786
136 HD22 LEU 16 1HD2 LEU 16 -1.928 0.322 -1.066
137 HD23 LEU 16 2HD2 LEU 16 -3.090 0.924 -2.263
138 H LEU 17 H LEU 17 -3.066 -2.928 1.605
139 HA LEU 17 HA LEU 17 -4.432 -3.988 -0.685
140 HB2 LEU 17 HB2 LEU 17 -2.686 -5.276 -1.122
141 HB3 LEU 17 HB3 LEU 17 -1.957 -4.005 -0.171
142 HG LEU 17 HG LEU 17 -2.213 -5.675 1.816
143 HD11 LEU 17 1HD1 LEU 17 -3.541 -7.451 0.684
144 HD12 LEU 17 2HD1 LEU 17 -2.271 -7.615 -0.541
145 HD13 LEU 17 3HD1 LEU 17 -1.958 -8.057 1.153
146 HD21 LEU 17 3HD2 LEU 17 -0.022 -6.665 1.283
147 HD22 LEU 17 1HD2 LEU 17 -0.218 -6.184 -0.419
148 HD23 LEU 17 2HD2 LEU 17 -0.071 -4.951 0.851
149 H PHE 18 H PHE 18 -4.661 -4.846 2.734
150 HA PHE 18 HA PHE 18 -6.432 -7.096 2.018
151 HB2 PHE 18 HB2 PHE 18 -6.711 -7.578 4.332
152 HB3 PHE 18 HB3 PHE 18 -5.063 -7.660 3.752
153 HD1 PHE 18 HD1 PHE 18 -7.424 -5.485 5.574
154 HD2 PHE 18 HD2 PHE 18 -3.322 -6.535 4.939
155 HE1 PHE 18 HE1 PHE 18 -6.812 -4.395 7.755
156 HE2 PHE 18 HE2 PHE 18 -2.690 -5.449 7.084
157 HZ PHE 18 HZ PHE 18 -4.440 -4.388 8.505
158 H SER 19 H SER 19 -6.820 -3.802 3.267
159 HA SER 19 HA SER 19 -9.583 -3.824 3.863
160 HB2 SER 19 HB2 SER 19 -7.770 -1.755 2.590
161 HB3 SER 19 HB3 SER 19 -9.468 -1.410 2.976
162 HG SER 19 HG SER 19 -7.272 -1.771 4.567
163 H GLN 20 H GLN 20 -7.980 -3.468 0.740
164 HA GLN 20 HA GLN 20 -10.385 -2.941 -0.802
165 HB2 GLN 20 HB2 GLN 20 -7.567 -3.752 -1.598
166 HB3 GLN 20 HB3 GLN 20 -8.798 -3.188 -2.710
167 HG2 GLN 20 HG2 GLN 20 -7.993 -1.484 -0.310
168 HG3 GLN 20 HG3 GLN 20 -6.958 -1.540 -1.735
169 HE21 GLN 20 2HE2 GLN 20 -8.521 0.638 -0.361
170 HE22 GLN 20 1HE2 GLN 20 -9.406 1.354 -1.697
171 H LEU 21 H LEU 21 -8.357 -5.793 -0.338
172 HA LEU 21 HA LEU 21 -9.897 -7.832 -1.624
173 HB2 LEU 21 HB2 LEU 21 -7.866 -8.511 -0.928
174 HB3 LEU 21 HB3 LEU 21 -7.889 -7.632 0.564
175 HG LEU 21 HG LEU 21 -9.707 -10.030 0.306
176 HD11 LEU 21 1HD1 LEU 21 -7.511 -10.809 -0.485
177 HD12 LEU 21 2HD1 LEU 21 -6.731 -10.115 0.956
178 HD13 LEU 21 3HD1 LEU 21 -7.881 -11.465 1.113
179 HD21 LEU 21 3HD2 LEU 21 -8.069 -8.873 2.628
180 HD22 LEU 21 1HD2 LEU 21 -9.786 -8.605 2.402
181 HD23 LEU 21 2HD2 LEU 21 -9.210 -10.238 2.719
182 H SER 22 H SER 22 -10.340 -6.377 1.605
183 HA SER 22 HA SER 22 -12.404 -8.216 2.345
184 HB2 SER 22 HB2 SER 22 -10.817 -7.020 3.904
185 HB3 SER 22 HB3 SER 22 -11.591 -5.560 3.500
186 HG SER 22 HG SER 22 -12.414 -7.764 4.988
187 H SER 23 H SER 23 -12.531 -4.861 1.183
188 HA SER 23 HA SER 23 -15.150 -4.296 1.959
189 HB2 SER 23 HB2 SER 23 -13.220 -2.741 1.221
190 HB3 SER 23 HB3 SER 23 -13.811 -2.973 -0.424
191 HG SER 23 HG SER 23 -15.262 -1.979 1.829
192 H VAL 24 H VAL 24 -14.388 -6.386 -0.681
193 HA VAL 24 HA VAL 24 -16.715 -5.880 -2.227
194 HB VAL 24 HB VAL 24 -16.139 -7.877 -3.357
195 HG11 VAL 24 1HG1 VAL 24 -14.757 -5.832 -3.802
196 HG12 VAL 24 2HG1 VAL 24 -13.515 -6.479 -2.704
197 HG13 VAL 24 3HG1 VAL 24 -13.918 -7.339 -4.201
198 HG21 VAL 24 3HG2 VAL 24 -14.210 -8.552 -1.151
199 HG22 VAL 24 1HG2 VAL 24 -15.526 -9.545 -1.832
200 HG23 VAL 24 2HG2 VAL 24 -14.080 -9.242 -2.776
201 H LYS 25 H LYS 25 -16.005 -8.391 0.187
202 HA LYS 25 HA LYS 25 -18.843 -9.167 0.155
203 HB2 LYS 25 HB2 LYS 25 -18.067 -11.248 1.243
204 HB3 LYS 25 HB3 LYS 25 -17.293 -10.963 -0.317
205 HG2 LYS 25 HG2 LYS 25 -15.227 -10.198 0.770
206 HG3 LYS 25 HG3 LYS 25 -16.006 -10.247 2.354
207 HD2 LYS 25 HD2 LYS 25 -14.631 -12.169 2.191
208 HD3 LYS 25 HD3 LYS 25 -16.314 -12.697 2.111
209 HE2 LYS 25 HE2 LYS 25 -16.103 -12.906 -0.381
210 HE3 LYS 25 HE3 LYS 25 -14.422 -12.366 -0.260
211 HZ1 LYS 25 HZ1 LYS 25 -14.419 -14.733 -0.320
212 HZ2 LYS 25 HZ2 LYS 25 -14.039 -14.329 1.218
213 HZ3 LYS 25 HZ3 LYS 25 -15.538 -14.882 0.877
214 H ALA 26 H ALA 26 -17.091 -7.032 1.771
215 HA ALA 26 HA ALA 26 -18.595 -7.178 4.319
216 HB1 ALA 26 HB1 ALA 26 -16.664 -8.783 4.529
217 HB2 ALA 26 HB2 ALA 26 -15.561 -7.409 4.311
218 HB3 ALA 26 HB3 ALA 26 -16.660 -7.477 5.709
219 H ARG 27 H ARG 27 -16.928 -5.408 5.805
220 HA ARG 27 HA ARG 27 -17.546 -2.811 4.555
221 HB2 ARG 27 HB2 ARG 27 -16.157 -3.458 7.201
222 HB3 ARG 27 HB3 ARG 27 -16.660 -1.862 6.642
223 HG2 ARG 27 HG2 ARG 27 -19.051 -2.719 6.588
224 HG3 ARG 27 HG3 ARG 27 -18.476 -4.201 7.369
225 HD2 ARG 27 HD2 ARG 27 -17.631 -2.855 9.299
226 HD3 ARG 27 HD3 ARG 27 -18.145 -1.388 8.492
227 HE ARG 27 HE ARG 27 -20.305 -1.710 9.131
228 HH11 ARG 27 1HH1 ARG 27 -18.602 -4.686 10.009
229 HH12 ARG 27 2HH1 ARG 27 -19.933 -5.209 11.025
230 HH21 ARG 27 1HH2 ARG 27 -21.964 -2.506 10.362
231 HH22 ARG 27 2HH2 ARG 27 -21.838 -4.091 11.069
232 H GLY 28 H GLY 28 -14.544 -4.357 5.734
233 HA2 GLY 28 HA2 GLY 28 -12.365 -4.344 4.948
234 HA3 GLY 28 HA3 GLY 28 -13.012 -3.774 3.409
235 H ILE 29 H ILE 29 -12.427 -1.871 2.744
236 HA ILE 29 HA ILE 29 -10.727 0.010 3.813
237 HB ILE 29 HB ILE 29 -13.109 0.452 1.979
238 HG12 ILE 29 2HG1 ILE 29 -10.265 0.035 1.000
239 HG13 ILE 29 3HG1 ILE 29 -11.284 -1.340 1.262
240 HG21 ILE 29 1HG2 ILE 29 -11.796 2.366 1.076
241 HG22 ILE 29 2HG2 ILE 29 -12.223 2.593 2.763
242 HG23 ILE 29 3HG2 ILE 29 -10.572 2.101 2.326
243 HD11 ILE 29 3HD1 ILE 29 -13.001 -0.414 -0.274
244 HD12 ILE 29 1HD1 ILE 29 -11.889 0.917 -0.660
245 HD13 ILE 29 2HD1 ILE 29 -11.455 -0.758 -1.045
246 H LYS 30 H LYS 30 -10.748 1.413 5.391
247 HA LYS 30 HA LYS 30 -13.235 2.186 6.831
248 HB2 LYS 30 HB2 LYS 30 -11.227 1.202 8.019
249 HB3 LYS 30 HB3 LYS 30 -10.312 2.626 7.535
250 HG2 LYS 30 HG2 LYS 30 -12.141 3.997 8.788
251 HG3 LYS 30 HG3 LYS 30 -12.644 2.437 9.463
252 HD2 LYS 30 HD2 LYS 30 -10.292 2.103 10.299
253 HD3 LYS 30 HD3 LYS 30 -9.887 3.717 9.697
254 HE2 LYS 30 HE2 LYS 30 -11.755 4.627 11.200
255 HE3 LYS 30 HE3 LYS 30 -11.871 2.992 11.895
256 HZ1 LYS 30 HZ1 LYS 30 -9.368 3.295 12.317
257 HZ2 LYS 30 HZ2 LYS 30 -9.583 4.872 12.050
258 HZ3 LYS 30 HZ3 LYS 30 -10.374 4.160 13.301
Start of MODEL 17
1 H1 MET 1 H1 MET 1 0.831 10.384 -0.012
2 H2 MET 1 H2 MET 1 1.279 8.805 0.038
3 H3 MET 1 H3 MET 1 1.592 9.707 -1.296
4 HA MET 1 HA MET 1 3.032 11.159 0.020
5 HB2 MET 1 HB2 MET 1 3.722 10.639 2.164
6 HB3 MET 1 HB3 MET 1 1.984 10.370 2.232
7 HG2 MET 1 HG2 MET 1 2.424 7.902 1.935
8 HG3 MET 1 HG3 MET 1 4.152 8.230 1.991
9 HE1 MET 1 HE1 MET 1 4.753 9.339 5.693
10 HE2 MET 1 HE2 MET 1 5.472 9.069 4.088
11 HE3 MET 1 HE3 MET 1 4.399 10.462 4.368
12 H ARG 2 H ARG 2 5.361 10.694 0.047
13 HA ARG 2 HA ARG 2 5.986 8.433 -1.788
14 HB2 ARG 2 HB2 ARG 2 6.402 11.085 -2.144
15 HB3 ARG 2 HB3 ARG 2 7.892 10.710 -1.293
16 HG2 ARG 2 HG2 ARG 2 8.329 10.526 -3.646
17 HG3 ARG 2 HG3 ARG 2 8.278 8.865 -3.046
18 HD2 ARG 2 HD2 ARG 2 5.822 8.802 -3.814
19 HD3 ARG 2 HD3 ARG 2 6.125 10.364 -4.586
20 HE ARG 2 HE ARG 2 8.147 8.747 -5.523
21 HH11 ARG 2 1HH1 ARG 2 4.613 8.685 -5.792
22 HH12 ARG 2 2HH1 ARG 2 4.742 7.793 -7.307
23 HH21 ARG 2 1HH2 ARG 2 8.098 7.461 -7.355
24 HH22 ARG 2 2HH2 ARG 2 6.541 7.171 -8.112
25 H LYS 3 H LYS 3 8.826 8.598 -1.303
26 HA LYS 3 HA LYS 3 10.391 7.301 -0.335
27 HB2 LYS 3 HB2 LYS 3 10.417 9.021 1.301
28 HB3 LYS 3 HB3 LYS 3 9.046 8.357 2.159
29 HG2 LYS 3 HG2 LYS 3 11.248 8.024 3.283
30 HG3 LYS 3 HG3 LYS 3 10.307 6.566 3.077
31 HD2 LYS 3 HD2 LYS 3 12.645 6.114 2.629
32 HD3 LYS 3 HD3 LYS 3 11.698 5.911 1.155
33 HE2 LYS 3 HE2 LYS 3 12.397 8.274 0.488
34 HE3 LYS 3 HE3 LYS 3 13.430 8.324 1.927
35 HZ1 LYS 3 HZ1 LYS 3 13.648 6.402 -0.315
36 HZ2 LYS 3 HZ2 LYS 3 14.681 7.649 -0.043
37 HZ3 LYS 3 HZ3 LYS 3 14.619 6.391 1.025
38 H HIS 4 H HIS 4 9.393 5.630 -1.522
39 HA HIS 4 HA HIS 4 7.842 3.586 -0.022
40 HB2 HIS 4 HB2 HIS 4 8.508 3.826 -2.970
41 HB3 HIS 4 HB3 HIS 4 7.475 2.598 -2.237
42 HD2 HIS 4 HD2 HIS 4 6.340 5.364 -0.300
43 HE1 HIS 4 HE1 HIS 4 4.166 5.921 -3.930
44 HE2 HIS 4 HE2 HIS 4 4.333 6.590 -1.479
45 H LEU 5 H LEU 5 9.589 3.017 1.359
46 HA LEU 5 HA LEU 5 11.859 1.537 0.186
47 HB2 LEU 5 HB2 LEU 5 12.871 1.629 2.277
48 HB3 LEU 5 HB3 LEU 5 12.243 3.210 1.940
49 HG LEU 5 HG LEU 5 10.386 1.512 3.543
50 HD11 LEU 5 1HD1 LEU 5 11.642 1.719 5.632
51 HD12 LEU 5 2HD1 LEU 5 12.496 0.682 4.476
52 HD13 LEU 5 3HD1 LEU 5 13.040 2.350 4.740
53 HD21 LEU 5 3HD2 LEU 5 11.608 4.245 4.082
54 HD22 LEU 5 1HD2 LEU 5 10.122 3.984 3.153
55 HD23 LEU 5 2HD2 LEU 5 10.185 3.548 4.873
56 H GLY 6 H GLY 6 12.040 -0.219 2.600
57 HA2 GLY 6 HA2 GLY 6 10.087 -2.378 1.909
58 HA3 GLY 6 HA3 GLY 6 11.834 -2.668 1.895
59 H GLY 7 H GLY 7 9.715 -0.840 4.068
60 HA2 GLY 7 HA2 GLY 7 10.505 -2.298 6.488
61 HA3 GLY 7 HA3 GLY 7 11.223 -0.696 6.292
62 H CYS 8 H CYS 8 10.095 0.513 7.835
63 HA CYS 8 HA CYS 8 7.460 0.416 8.594
64 HB2 CYS 8 HB2 CYS 8 9.306 2.805 8.237
65 HB3 CYS 8 HB3 CYS 8 7.694 2.956 8.930
66 HG CYS 8 HG CYS 8 10.257 1.098 9.931
67 H TRP 9 H TRP 9 8.390 1.567 5.399
68 HA TRP 9 HA TRP 9 6.000 3.029 4.759
69 HB2 TRP 9 HB2 TRP 9 7.832 3.411 3.345
70 HB3 TRP 9 HB3 TRP 9 8.245 1.715 3.296
71 HD1 TRP 9 HD1 TRP 9 7.546 0.289 1.488
72 HE1 TRP 9 HE1 TRP 9 5.892 0.372 -0.517
73 HE3 TRP 9 HE3 TRP 9 5.182 4.648 2.649
74 HZ2 TRP 9 HZ2 TRP 9 3.702 2.050 -1.340
75 HZ3 TRP 9 HZ3 TRP 9 3.165 5.352 1.378
76 HH2 TRP 9 HH2 TRP 9 2.404 4.044 -0.588
77 H LEU 10 H LEU 10 6.833 -0.433 4.670
78 HA LEU 10 HA LEU 10 4.696 -1.298 2.975
79 HB2 LEU 10 HB2 LEU 10 6.225 -2.788 5.146
80 HB3 LEU 10 HB3 LEU 10 5.222 -3.544 3.923
81 HG LEU 10 HG LEU 10 7.700 -1.918 3.304
82 HD11 LEU 10 1HD1 LEU 10 7.310 -4.931 3.437
83 HD12 LEU 10 2HD1 LEU 10 8.763 -4.123 2.831
84 HD13 LEU 10 3HD1 LEU 10 8.296 -3.948 4.534
85 HD21 LEU 10 3HD2 LEU 10 6.131 -1.988 1.402
86 HD22 LEU 10 1HD2 LEU 10 7.559 -2.973 1.074
87 HD23 LEU 10 2HD2 LEU 10 6.038 -3.758 1.541
88 H ALA 11 H ALA 11 4.792 -0.608 6.444
89 HA ALA 11 HA ALA 11 2.490 -1.951 7.301
90 HB1 ALA 11 HB1 ALA 11 2.484 -0.265 9.099
91 HB2 ALA 11 HB2 ALA 11 4.147 -0.780 8.740
92 HB3 ALA 11 HB3 ALA 11 3.552 0.780 8.135
93 H ILE 12 H ILE 12 2.737 1.137 5.551
94 HA ILE 12 HA ILE 12 -0.078 1.875 5.754
95 HB ILE 12 HB ILE 12 2.193 2.807 3.963
96 HG12 ILE 12 2HG1 ILE 12 1.086 4.701 5.968
97 HG13 ILE 12 3HG1 ILE 12 1.787 3.276 6.714
98 HG21 ILE 12 1HG2 ILE 12 -0.561 4.057 4.284
99 HG22 ILE 12 2HG2 ILE 12 0.828 4.823 3.488
100 HG23 ILE 12 3HG2 ILE 12 0.131 3.359 2.799
101 HD11 ILE 12 3HD1 ILE 12 3.432 5.088 6.438
102 HD12 ILE 12 1HD1 ILE 12 3.903 3.610 5.576
103 HD13 ILE 12 2HD1 ILE 12 3.241 5.001 4.675
104 H VAL 13 H VAL 13 1.927 0.166 3.363
105 HA VAL 13 HA VAL 13 -0.179 -0.155 1.407
106 HB VAL 13 HB VAL 13 2.240 -1.958 1.684
107 HG11 VAL 13 1HG1 VAL 13 1.988 -2.152 -0.749
108 HG12 VAL 13 2HG1 VAL 13 0.501 -2.652 0.049
109 HG13 VAL 13 3HG1 VAL 13 0.592 -1.055 -0.724
110 HG21 VAL 13 3HG2 VAL 13 3.147 0.309 1.685
111 HG22 VAL 13 1HG2 VAL 13 3.397 -0.427 0.104
112 HG23 VAL 13 2HG2 VAL 13 2.091 0.758 0.328
113 H CYS 14 H CYS 14 1.101 -2.272 3.975
114 HA CYS 14 HA CYS 14 -0.443 -4.564 3.551
115 HB2 CYS 14 HB2 CYS 14 0.628 -3.214 6.042
116 HB3 CYS 14 HB3 CYS 14 -0.175 -4.759 6.119
117 HG CYS 14 HG CYS 14 2.587 -3.786 4.617
118 H VAL 15 H VAL 15 -1.298 -1.824 5.706
119 HA VAL 15 HA VAL 15 -3.832 -2.974 6.351
120 HB VAL 15 HB VAL 15 -2.546 -1.477 7.714
121 HG11 VAL 15 1HG1 VAL 15 -1.920 0.241 6.023
122 HG12 VAL 15 2HG1 VAL 15 -3.612 0.763 5.928
123 HG13 VAL 15 3HG1 VAL 15 -2.694 0.969 7.432
124 HG21 VAL 15 3HG2 VAL 15 -5.382 -0.525 7.045
125 HG22 VAL 15 1HG2 VAL 15 -4.983 -1.878 8.124
126 HG23 VAL 15 2HG2 VAL 15 -4.547 -0.225 8.596
127 H LEU 16 H LEU 16 -2.904 -0.835 3.746
128 HA LEU 16 HA LEU 16 -5.610 -0.287 2.813
129 HB2 LEU 16 HB2 LEU 16 -3.820 1.136 2.057
130 HB3 LEU 16 HB3 LEU 16 -2.784 -0.222 1.681
131 HG LEU 16 HG LEU 16 -4.358 -0.820 -0.232
132 HD11 LEU 16 1HD1 LEU 16 -5.805 0.978 -1.060
133 HD12 LEU 16 2HD1 LEU 16 -6.282 0.569 0.611
134 HD13 LEU 16 3HD1 LEU 16 -5.315 2.017 0.289
135 HD21 LEU 16 3HD2 LEU 16 -2.196 0.262 -0.587
136 HD22 LEU 16 1HD2 LEU 16 -3.412 0.906 -1.705
137 HD23 LEU 16 2HD2 LEU 16 -2.923 1.860 -0.283
138 H LEU 17 H LEU 17 -3.123 -2.845 2.235
139 HA LEU 17 HA LEU 17 -4.529 -3.847 -0.006
140 HB2 LEU 17 HB2 LEU 17 -2.849 -5.209 -0.453
141 HB3 LEU 17 HB3 LEU 17 -2.080 -3.982 0.519
142 HG LEU 17 HG LEU 17 -2.323 -5.644 2.461
143 HD11 LEU 17 1HD1 LEU 17 -2.605 -7.576 0.108
144 HD12 LEU 17 2HD1 LEU 17 -2.179 -8.050 1.763
145 HD13 LEU 17 3HD1 LEU 17 -3.768 -7.389 1.437
146 HD21 LEU 17 3HD2 LEU 17 -0.474 -6.292 0.129
147 HD22 LEU 17 1HD2 LEU 17 -0.192 -5.022 1.332
148 HD23 LEU 17 2HD2 LEU 17 -0.198 -6.724 1.831
149 H PHE 18 H PHE 18 -4.767 -4.912 3.368
150 HA PHE 18 HA PHE 18 -6.439 -7.228 2.564
151 HB2 PHE 18 HB2 PHE 18 -6.524 -7.806 4.790
152 HB3 PHE 18 HB3 PHE 18 -4.877 -7.320 4.467
153 HD1 PHE 18 HD1 PHE 18 -8.091 -6.191 5.955
154 HD2 PHE 18 HD2 PHE 18 -3.821 -5.702 5.868
155 HE1 PHE 18 HE1 PHE 18 -8.196 -4.933 8.119
156 HE2 PHE 18 HE2 PHE 18 -3.909 -4.537 8.075
157 HZ PHE 18 HZ PHE 18 -6.100 -4.127 9.180
158 H SER 19 H SER 19 -6.857 -3.888 3.677
159 HA SER 19 HA SER 19 -9.679 -3.976 4.280
160 HB2 SER 19 HB2 SER 19 -7.775 -1.758 3.484
161 HB3 SER 19 HB3 SER 19 -9.449 -1.500 4.024
162 HG SER 19 HG SER 19 -7.185 -2.182 5.415
163 H GLN 20 H GLN 20 -7.821 -3.489 1.337
164 HA GLN 20 HA GLN 20 -10.161 -2.867 -0.344
165 HB2 GLN 20 HB2 GLN 20 -7.261 -3.485 -0.987
166 HB3 GLN 20 HB3 GLN 20 -8.473 -3.005 -2.161
167 HG2 GLN 20 HG2 GLN 20 -7.817 -1.311 0.287
168 HG3 GLN 20 HG3 GLN 20 -6.896 -1.185 -1.204
169 HE21 GLN 20 2HE2 GLN 20 -8.354 0.855 0.226
170 HE22 GLN 20 1HE2 GLN 20 -9.633 1.419 -0.808
171 H LEU 21 H LEU 21 -8.010 -5.723 0.079
172 HA LEU 21 HA LEU 21 -9.341 -7.641 -1.501
173 HB2 LEU 21 HB2 LEU 21 -7.400 -8.321 -0.533
174 HB3 LEU 21 HB3 LEU 21 -7.782 -7.672 1.042
175 HG LEU 21 HG LEU 21 -9.287 -10.099 0.047
176 HD11 LEU 21 1HD1 LEU 21 -6.920 -10.639 -0.225
177 HD12 LEU 21 2HD1 LEU 21 -6.557 -10.042 1.413
178 HD13 LEU 21 3HD1 LEU 21 -7.565 -11.487 1.176
179 HD21 LEU 21 3HD2 LEU 21 -9.316 -10.617 2.484
180 HD22 LEU 21 1HD2 LEU 21 -8.434 -9.111 2.827
181 HD23 LEU 21 2HD2 LEU 21 -10.082 -9.071 2.186
182 H SER 22 H SER 22 -10.398 -6.342 1.621
183 HA SER 22 HA SER 22 -12.783 -8.049 1.666
184 HB2 SER 22 HB2 SER 22 -13.098 -6.994 3.888
185 HB3 SER 22 HB3 SER 22 -11.591 -7.879 3.662
186 HG SER 22 HG SER 22 -10.456 -6.072 3.661
187 H SER 23 H SER 23 -12.198 -5.248 0.082
188 HA SER 23 HA SER 23 -14.662 -3.790 0.625
189 HB2 SER 23 HB2 SER 23 -13.895 -2.282 -1.076
190 HB3 SER 23 HB3 SER 23 -12.450 -2.829 -0.235
191 HG SER 23 HG SER 23 -11.946 -4.157 -1.918
192 H VAL 24 H VAL 24 -14.141 -6.596 -1.317
193 HA VAL 24 HA VAL 24 -15.284 -5.686 -3.686
194 HB VAL 24 HB VAL 24 -15.210 -8.120 -4.255
195 HG11 VAL 24 1HG1 VAL 24 -12.741 -8.294 -4.221
196 HG12 VAL 24 2HG1 VAL 24 -13.248 -6.645 -4.604
197 HG13 VAL 24 3HG1 VAL 24 -12.661 -7.035 -2.971
198 HG21 VAL 24 3HG2 VAL 24 -14.097 -8.552 -1.457
199 HG22 VAL 24 1HG2 VAL 24 -15.607 -9.227 -2.124
200 HG23 VAL 24 2HG2 VAL 24 -14.063 -9.712 -2.776
201 H LYS 25 H LYS 25 -16.754 -7.632 -1.138
202 HA LYS 25 HA LYS 25 -19.365 -7.069 -2.383
203 HB2 LYS 25 HB2 LYS 25 -20.228 -9.243 -1.700
204 HB3 LYS 25 HB3 LYS 25 -18.831 -9.414 -2.760
205 HG2 LYS 25 HG2 LYS 25 -17.393 -9.799 -0.714
206 HG3 LYS 25 HG3 LYS 25 -18.874 -9.791 0.265
207 HD2 LYS 25 HD2 LYS 25 -19.715 -11.710 -1.129
208 HD3 LYS 25 HD3 LYS 25 -18.165 -11.712 -2.004
209 HE2 LYS 25 HE2 LYS 25 -16.984 -12.011 0.207
210 HE3 LYS 25 HE3 LYS 25 -18.568 -12.132 0.994
211 HZ1 LYS 25 HZ1 LYS 25 -19.002 -14.068 -0.510
212 HZ2 LYS 25 HZ2 LYS 25 -17.408 -14.010 -0.992
213 HZ3 LYS 25 HZ3 LYS 25 -17.778 -14.309 0.568
214 H ALA 26 H ALA 26 -17.590 -5.864 -0.200
215 HA ALA 26 HA ALA 26 -19.680 -5.537 1.884
216 HB1 ALA 26 HB1 ALA 26 -18.180 -6.257 3.689
217 HB2 ALA 26 HB2 ALA 26 -18.399 -7.580 2.530
218 HB3 ALA 26 HB3 ALA 26 -16.909 -6.609 2.525
219 H ARG 27 H ARG 27 -18.852 -4.005 3.711
220 HA ARG 27 HA ARG 27 -18.070 -1.517 2.520
221 HB2 ARG 27 HB2 ARG 27 -18.086 -2.299 5.467
222 HB3 ARG 27 HB3 ARG 27 -17.790 -0.671 4.844
223 HG2 ARG 27 HG2 ARG 27 -20.016 -0.865 3.593
224 HG3 ARG 27 HG3 ARG 27 -20.321 -2.313 4.569
225 HD2 ARG 27 HD2 ARG 27 -20.144 -0.919 6.635
226 HD3 ARG 27 HD3 ARG 27 -19.899 0.522 5.620
227 HE ARG 27 HE ARG 27 -22.256 -1.011 4.880
228 HH11 ARG 27 1HH1 ARG 27 -21.393 1.450 7.272
229 HH12 ARG 27 2HH1 ARG 27 -23.055 1.996 7.318
230 HH21 ARG 27 1HH2 ARG 27 -24.276 -0.411 5.223
231 HH22 ARG 27 2HH2 ARG 27 -24.655 0.818 6.385
232 H GLY 28 H GLY 28 -16.054 -3.780 4.435
233 HA2 GLY 28 HA2 GLY 28 -13.814 -4.266 4.272
234 HA3 GLY 28 HA3 GLY 28 -13.779 -3.428 2.722
235 H ILE 29 H ILE 29 -12.749 -1.595 2.602
236 HA ILE 29 HA ILE 29 -11.063 -0.383 4.339
237 HB ILE 29 HB ILE 29 -12.412 1.542 2.542
238 HG12 ILE 29 2HG1 ILE 29 -11.267 0.501 0.476
239 HG13 ILE 29 3HG1 ILE 29 -11.287 -1.005 1.307
240 HG21 ILE 29 1HG2 ILE 29 -9.531 0.613 2.782
241 HG22 ILE 29 2HG2 ILE 29 -10.120 2.002 1.844
242 HG23 ILE 29 3HG2 ILE 29 -10.268 2.008 3.595
243 HD11 ILE 29 3HD1 ILE 29 -13.186 -0.299 -0.371
244 HD12 ILE 29 1HD1 ILE 29 -13.683 -1.083 1.125
245 HD13 ILE 29 2HD1 ILE 29 -13.822 0.683 0.950
246 H LYS 30 H LYS 30 -10.931 1.108 5.818
247 HA LYS 30 HA LYS 30 -13.402 1.918 7.241
248 HB2 LYS 30 HB2 LYS 30 -10.562 1.356 8.016
249 HB3 LYS 30 HB3 LYS 30 -11.417 2.565 8.949
250 HG2 LYS 30 HG2 LYS 30 -11.609 0.350 9.980
251 HG3 LYS 30 HG3 LYS 30 -13.186 1.008 9.537
252 HD2 LYS 30 HD2 LYS 30 -13.246 -0.406 7.531
253 HD3 LYS 30 HD3 LYS 30 -11.635 -1.048 7.905
254 HE2 LYS 30 HE2 LYS 30 -12.586 -2.029 10.017
255 HE3 LYS 30 HE3 LYS 30 -14.167 -1.352 9.580
256 HZ1 LYS 30 HZ1 LYS 30 -14.254 -3.522 8.761
257 HZ2 LYS 30 HZ2 LYS 30 -13.831 -2.659 7.415
258 HZ3 LYS 30 HZ3 LYS 30 -12.693 -3.513 8.193
Start of MODEL 18
1 H1 MET 1 H1 MET 1 10.196 14.268 -4.926
2 H2 MET 1 H2 MET 1 9.600 13.797 -3.445
3 H3 MET 1 H3 MET 1 9.075 13.072 -4.790
4 HA MET 1 HA MET 1 11.248 12.156 -5.254
5 HB2 MET 1 HB2 MET 1 12.985 12.219 -3.536
6 HB3 MET 1 HB3 MET 1 12.605 13.810 -4.140
7 HG2 MET 1 HG2 MET 1 12.972 14.012 -1.820
8 HG3 MET 1 HG3 MET 1 11.254 14.239 -2.068
9 HE1 MET 1 HE1 MET 1 13.242 10.528 -0.067
10 HE2 MET 1 HE2 MET 1 13.291 10.725 -1.829
11 HE3 MET 1 HE3 MET 1 14.109 11.903 -0.784
12 H ARG 2 H ARG 2 11.888 10.040 -4.303
13 HA ARG 2 HA ARG 2 9.467 8.721 -3.415
14 HB2 ARG 2 HB2 ARG 2 10.857 7.807 -5.069
15 HB3 ARG 2 HB3 ARG 2 12.265 7.699 -4.018
16 HG2 ARG 2 HG2 ARG 2 11.229 5.946 -2.698
17 HG3 ARG 2 HG3 ARG 2 9.656 6.197 -3.470
18 HD2 ARG 2 HD2 ARG 2 12.158 5.243 -4.933
19 HD3 ARG 2 HD3 ARG 2 10.879 4.178 -4.303
20 HE ARG 2 HE ARG 2 9.643 6.125 -5.915
21 HH11 ARG 2 1HH1 ARG 2 11.874 3.462 -6.506
22 HH12 ARG 2 2HH1 ARG 2 11.243 3.240 -8.125
23 HH21 ARG 2 1HH2 ARG 2 8.920 5.766 -7.841
24 HH22 ARG 2 2HH2 ARG 2 9.518 4.447 -8.848
25 H LYS 3 H LYS 3 8.834 9.138 -1.441
26 HA LYS 3 HA LYS 3 10.506 9.020 0.932
27 HB2 LYS 3 HB2 LYS 3 8.518 9.424 2.180
28 HB3 LYS 3 HB3 LYS 3 8.440 10.397 0.707
29 HG2 LYS 3 HG2 LYS 3 6.911 8.697 -0.314
30 HG3 LYS 3 HG3 LYS 3 6.950 7.770 1.178
31 HD2 LYS 3 HD2 LYS 3 5.970 10.651 0.993
32 HD3 LYS 3 HD3 LYS 3 4.925 9.217 0.909
33 HE2 LYS 3 HE2 LYS 3 5.737 8.505 3.156
34 HE3 LYS 3 HE3 LYS 3 6.704 9.984 3.274
35 HZ1 LYS 3 HZ1 LYS 3 4.707 11.281 3.245
36 HZ2 LYS 3 HZ2 LYS 3 3.763 9.993 2.901
37 HZ3 LYS 3 HZ3 LYS 3 4.486 10.090 4.369
38 H HIS 4 H HIS 4 9.399 6.547 -0.912
39 HA HIS 4 HA HIS 4 8.680 4.617 1.137
40 HB2 HIS 4 HB2 HIS 4 9.315 4.087 -1.783
41 HB3 HIS 4 HB3 HIS 4 8.316 3.133 -0.691
42 HD2 HIS 4 HD2 HIS 4 6.364 5.277 0.501
43 HE1 HIS 4 HE1 HIS 4 5.482 6.506 -3.477
44 HE2 HIS 4 HE2 HIS 4 4.707 6.595 -1.056
45 H LEU 5 H LEU 5 9.682 2.408 1.128
46 HA LEU 5 HA LEU 5 12.500 2.076 0.697
47 HB2 LEU 5 HB2 LEU 5 13.274 1.953 2.971
48 HB3 LEU 5 HB3 LEU 5 12.718 3.558 2.638
49 HG LEU 5 HG LEU 5 10.744 1.696 3.954
50 HD11 LEU 5 1HD1 LEU 5 11.695 2.168 6.180
51 HD12 LEU 5 2HD1 LEU 5 12.800 1.204 5.192
52 HD13 LEU 5 3HD1 LEU 5 13.097 2.939 5.415
53 HD21 LEU 5 3HD2 LEU 5 10.126 4.073 3.468
54 HD22 LEU 5 1HD2 LEU 5 10.154 3.747 5.204
55 HD23 LEU 5 2HD2 LEU 5 11.497 4.619 4.448
56 H GLY 6 H GLY 6 12.444 0.125 3.152
57 HA2 GLY 6 HA2 GLY 6 10.512 -1.917 2.326
58 HA3 GLY 6 HA3 GLY 6 12.231 -2.324 2.108
59 H GLY 7 H GLY 7 9.673 -1.938 4.382
60 HA2 GLY 7 HA2 GLY 7 10.985 -2.531 6.803
61 HA3 GLY 7 HA3 GLY 7 11.186 -0.815 6.519
62 H CYS 8 H CYS 8 9.877 -0.203 8.277
63 HA CYS 8 HA CYS 8 7.162 -0.744 8.722
64 HB2 CYS 8 HB2 CYS 8 9.026 1.562 9.268
65 HB3 CYS 8 HB3 CYS 8 7.293 1.785 9.545
66 HG CYS 8 HG CYS 8 8.809 1.071 11.747
67 H TRP 9 H TRP 9 8.425 1.036 5.996
68 HA TRP 9 HA TRP 9 6.083 2.484 5.280
69 HB2 TRP 9 HB2 TRP 9 7.863 3.122 4.010
70 HB3 TRP 9 HB3 TRP 9 8.556 1.514 3.985
71 HD1 TRP 9 HD1 TRP 9 8.352 0.093 1.970
72 HE1 TRP 9 HE1 TRP 9 7.129 0.174 -0.284
73 HE3 TRP 9 HE3 TRP 9 5.181 3.954 2.990
74 HZ2 TRP 9 HZ2 TRP 9 4.896 1.644 -1.415
75 HZ3 TRP 9 HZ3 TRP 9 3.381 4.554 1.376
76 HH2 TRP 9 HH2 TRP 9 3.238 3.416 -0.817
77 H LEU 10 H LEU 10 6.845 -0.968 4.928
78 HA LEU 10 HA LEU 10 4.740 -1.591 3.079
79 HB2 LEU 10 HB2 LEU 10 6.067 -3.340 5.185
80 HB3 LEU 10 HB3 LEU 10 5.081 -3.925 3.850
81 HG LEU 10 HG LEU 10 7.711 -2.426 3.526
82 HD11 LEU 10 1HD1 LEU 10 7.091 -5.383 3.202
83 HD12 LEU 10 2HD1 LEU 10 8.645 -4.595 2.863
84 HD13 LEU 10 3HD1 LEU 10 8.030 -4.654 4.523
85 HD21 LEU 10 3HD2 LEU 10 5.969 -3.858 1.477
86 HD22 LEU 10 1HD2 LEU 10 6.282 -2.108 1.552
87 HD23 LEU 10 2HD2 LEU 10 7.597 -3.222 1.171
88 H ALA 11 H ALA 11 4.607 -0.868 6.513
89 HA ALA 11 HA ALA 11 2.171 -2.192 7.124
90 HB1 ALA 11 HB1 ALA 11 3.826 -1.218 8.754
91 HB2 ALA 11 HB2 ALA 11 3.262 0.404 8.292
92 HB3 ALA 11 HB3 ALA 11 2.150 -0.736 9.069
93 H ILE 12 H ILE 12 2.753 0.738 5.256
94 HA ILE 12 HA ILE 12 -0.059 1.625 5.332
95 HB ILE 12 HB ILE 12 2.319 2.550 3.643
96 HG12 ILE 12 2HG1 ILE 12 1.690 4.681 5.214
97 HG13 ILE 12 3HG1 ILE 12 1.157 3.422 6.310
98 HG21 ILE 12 1HG2 ILE 12 0.221 3.019 2.455
99 HG22 ILE 12 2HG2 ILE 12 -0.481 3.745 3.919
100 HG23 ILE 12 3HG2 ILE 12 0.894 4.504 3.089
101 HD11 ILE 12 3HD1 ILE 12 3.944 3.679 5.073
102 HD12 ILE 12 1HD1 ILE 12 3.491 4.175 6.716
103 HD13 ILE 12 2HD1 ILE 12 3.462 2.460 6.278
104 H VAL 13 H VAL 13 2.072 -0.209 3.170
105 HA VAL 13 HA VAL 13 0.173 -0.455 1.017
106 HB VAL 13 HB VAL 13 2.541 -2.292 1.476
107 HG11 VAL 13 1HG1 VAL 13 1.190 -1.279 -1.078
108 HG12 VAL 13 2HG1 VAL 13 2.556 -2.417 -0.979
109 HG13 VAL 13 3HG1 VAL 13 0.978 -2.891 -0.371
110 HG21 VAL 13 3HG2 VAL 13 3.448 -0.019 1.653
111 HG22 VAL 13 1HG2 VAL 13 3.894 -0.726 0.111
112 HG23 VAL 13 2HG2 VAL 13 2.581 0.473 0.185
113 H CYS 14 H CYS 14 1.170 -2.665 3.625
114 HA CYS 14 HA CYS 14 -0.314 -4.960 3.015
115 HB2 CYS 14 HB2 CYS 14 0.437 -3.618 5.633
116 HB3 CYS 14 HB3 CYS 14 -0.355 -5.173 5.582
117 HG CYS 14 HG CYS 14 2.526 -4.165 4.400
118 H VAL 15 H VAL 15 -1.412 -2.246 5.083
119 HA VAL 15 HA VAL 15 -4.001 -3.373 5.437
120 HB VAL 15 HB VAL 15 -2.882 -1.891 6.927
121 HG11 VAL 15 1HG1 VAL 15 -1.967 -0.226 5.354
122 HG12 VAL 15 2HG1 VAL 15 -3.612 0.358 5.005
123 HG13 VAL 15 3HG1 VAL 15 -2.909 0.553 6.625
124 HG21 VAL 15 3HG2 VAL 15 -5.570 -0.791 5.941
125 HG22 VAL 15 1HG2 VAL 15 -5.367 -2.142 7.078
126 HG23 VAL 15 2HG2 VAL 15 -4.890 -0.507 7.563
127 H LEU 16 H LEU 16 -2.805 -1.257 2.883
128 HA LEU 16 HA LEU 16 -5.429 -0.706 1.734
129 HB2 LEU 16 HB2 LEU 16 -3.695 0.743 1.042
130 HB3 LEU 16 HB3 LEU 16 -2.524 -0.543 0.901
131 HG LEU 16 HG LEU 16 -3.628 -1.358 -1.181
132 HD11 LEU 16 1HD1 LEU 16 -5.887 -0.409 -0.801
133 HD12 LEU 16 2HD1 LEU 16 -5.230 1.233 -0.956
134 HD13 LEU 16 3HD1 LEU 16 -5.204 0.124 -2.342
135 HD21 LEU 16 3HD2 LEU 16 -1.681 0.152 -1.233
136 HD22 LEU 16 1HD2 LEU 16 -2.777 0.455 -2.584
137 HD23 LEU 16 2HD2 LEU 16 -2.761 1.563 -1.196
138 H LEU 17 H LEU 17 -2.921 -3.241 1.384
139 HA LEU 17 HA LEU 17 -4.293 -4.445 -0.852
140 HB2 LEU 17 HB2 LEU 17 -2.482 -5.652 -1.275
141 HB3 LEU 17 HB3 LEU 17 -1.804 -4.305 -0.391
142 HG LEU 17 HG LEU 17 -2.012 -5.951 1.666
143 HD11 LEU 17 1HD1 LEU 17 -1.788 -7.893 -0.676
144 HD12 LEU 17 2HD1 LEU 17 -1.494 -8.295 1.032
145 HD13 LEU 17 3HD1 LEU 17 -3.110 -7.842 0.509
146 HD21 LEU 17 3HD2 LEU 17 0.087 -5.012 0.738
147 HD22 LEU 17 1HD2 LEU 17 0.286 -6.699 1.246
148 HD23 LEU 17 2HD2 LEU 17 0.113 -6.297 -0.484
149 H PHE 18 H PHE 18 -4.654 -4.936 2.545
150 HA PHE 18 HA PHE 18 -6.496 -7.173 1.913
151 HB2 PHE 18 HB2 PHE 18 -6.855 -7.512 4.276
152 HB3 PHE 18 HB3 PHE 18 -5.269 -7.893 3.635
153 HD1 PHE 18 HD2 PHE 18 -7.139 -5.261 5.433
154 HD2 PHE 18 HD1 PHE 18 -3.301 -7.019 4.702
155 HE1 PHE 18 HE2 PHE 18 -6.290 -4.262 7.567
156 HE2 PHE 18 HE1 PHE 18 -2.420 -5.991 6.799
157 HZ PHE 18 HZ PHE 18 -3.930 -4.632 8.247
158 H SER 19 H SER 19 -6.699 -3.827 3.008
159 HA SER 19 HA SER 19 -9.428 -3.678 3.687
160 HB2 SER 19 HB2 SER 19 -7.604 -1.756 2.212
161 HB3 SER 19 HB3 SER 19 -9.271 -1.337 2.642
162 HG SER 19 HG SER 19 -7.093 -1.953 4.290
163 H GLN 20 H GLN 20 -7.982 -3.707 0.469
164 HA GLN 20 HA GLN 20 -10.464 -3.170 -0.969
165 HB2 GLN 20 HB2 GLN 20 -7.820 -4.287 -1.932
166 HB3 GLN 20 HB3 GLN 20 -9.078 -3.655 -2.965
167 HG2 GLN 20 HG2 GLN 20 -7.890 -1.893 -0.768
168 HG3 GLN 20 HG3 GLN 20 -6.932 -2.219 -2.201
169 HE21 GLN 20 2HE2 GLN 20 -8.033 0.291 -1.010
170 HE22 GLN 20 1HE2 GLN 20 -8.794 1.053 -2.384
171 H LEU 21 H LEU 21 -8.530 -6.086 -0.445
172 HA LEU 21 HA LEU 21 -10.270 -8.115 -1.417
173 HB2 LEU 21 HB2 LEU 21 -8.239 -8.914 -0.956
174 HB3 LEU 21 HB3 LEU 21 -7.940 -7.873 0.398
175 HG LEU 21 HG LEU 21 -9.797 -10.264 0.665
176 HD11 LEU 21 1HD1 LEU 21 -6.774 -10.167 1.083
177 HD12 LEU 21 2HD1 LEU 21 -7.854 -11.519 1.501
178 HD13 LEU 21 3HD1 LEU 21 -7.637 -11.060 -0.188
179 HD21 LEU 21 3HD2 LEU 21 -9.158 -10.133 3.035
180 HD22 LEU 21 1HD2 LEU 21 -8.015 -8.816 2.702
181 HD23 LEU 21 2HD2 LEU 21 -9.744 -8.537 2.574
182 H SER 22 H SER 22 -10.503 -6.323 1.619
183 HA SER 22 HA SER 22 -12.547 -8.026 2.762
184 HB2 SER 22 HB2 SER 22 -11.107 -6.697 4.240
185 HB3 SER 22 HB3 SER 22 -11.451 -5.290 3.347
186 HG SER 22 HG SER 22 -13.180 -6.811 5.031
187 H SER 23 H SER 23 -12.628 -4.983 0.941
188 HA SER 23 HA SER 23 -15.125 -4.131 1.793
189 HB2 SER 23 HB2 SER 23 -13.182 -2.881 0.681
190 HB3 SER 23 HB3 SER 23 -13.913 -3.327 -0.867
191 HG SER 23 HG SER 23 -15.050 -1.848 1.294
192 H VAL 24 H VAL 24 -14.729 -6.679 -0.425
193 HA VAL 24 HA VAL 24 -17.282 -6.401 -1.799
194 HB VAL 24 HB VAL 24 -16.565 -8.651 -2.611
195 HG11 VAL 24 1HG1 VAL 24 -14.766 -7.838 -4.072
196 HG12 VAL 24 2HG1 VAL 24 -15.966 -6.555 -3.825
197 HG13 VAL 24 3HG1 VAL 24 -14.423 -6.512 -2.940
198 HG21 VAL 24 3HG2 VAL 24 -13.957 -8.207 -1.132
199 HG22 VAL 24 1HG2 VAL 24 -15.146 -9.496 -0.807
200 HG23 VAL 24 2HG2 VAL 24 -14.277 -9.456 -2.331
201 H LYS 25 H LYS 25 -15.970 -8.176 0.941
202 HA LYS 25 HA LYS 25 -18.588 -9.482 1.369
203 HB2 LYS 25 HB2 LYS 25 -17.523 -10.997 2.868
204 HB3 LYS 25 HB3 LYS 25 -16.613 -10.958 1.360
205 HG2 LYS 25 HG2 LYS 25 -14.841 -9.621 2.404
206 HG3 LYS 25 HG3 LYS 25 -15.800 -9.455 3.890
207 HD2 LYS 25 HD2 LYS 25 -15.787 -11.965 4.112
208 HD3 LYS 25 HD3 LYS 25 -14.659 -12.028 2.750
209 HE2 LYS 25 HE2 LYS 25 -13.041 -10.641 4.039
210 HE3 LYS 25 HE3 LYS 25 -14.197 -10.566 5.379
211 HZ1 LYS 25 HZ1 LYS 25 -12.623 -12.318 5.817
212 HZ2 LYS 25 HZ2 LYS 25 -14.059 -13.033 5.478
213 HZ3 LYS 25 HZ3 LYS 25 -12.892 -13.038 4.357
214 H ALA 26 H ALA 26 -16.976 -6.792 2.284
215 HA ALA 26 HA ALA 26 -18.487 -6.285 4.793
216 HB1 ALA 26 HB1 ALA 26 -16.679 -7.841 5.460
217 HB2 ALA 26 HB2 ALA 26 -15.472 -6.775 4.715
218 HB3 ALA 26 HB3 ALA 26 -16.383 -6.244 6.140
219 H ARG 27 H ARG 27 -16.830 -4.315 5.882
220 HA ARG 27 HA ARG 27 -17.279 -2.053 4.079
221 HB2 ARG 27 HB2 ARG 27 -15.876 -2.083 6.778
222 HB3 ARG 27 HB3 ARG 27 -16.439 -0.670 5.877
223 HG2 ARG 27 HG2 ARG 27 -18.781 -1.627 5.996
224 HG3 ARG 27 HG3 ARG 27 -18.170 -2.857 7.112
225 HD2 ARG 27 HD2 ARG 27 -18.047 0.151 7.521
226 HD3 ARG 27 HD3 ARG 27 -19.217 -0.947 8.270
227 HE ARG 27 HE ARG 27 -17.221 -2.105 9.332
228 HH11 ARG 27 1HH1 ARG 27 -17.438 1.387 8.949
229 HH12 ARG 27 2HH1 ARG 27 -16.263 1.668 10.216
230 HH21 ARG 27 1HH2 ARG 27 -15.772 -1.681 10.886
231 HH22 ARG 27 2HH2 ARG 27 -15.444 -0.032 11.367
232 H GLY 28 H GLY 28 -14.294 -3.462 5.515
233 HA2 GLY 28 HA2 GLY 28 -12.119 -3.602 4.654
234 HA3 GLY 28 HA3 GLY 28 -12.847 -3.327 3.085
235 H ILE 29 H ILE 29 -12.168 -1.686 2.057
236 HA ILE 29 HA ILE 29 -10.441 0.355 2.497
237 HB ILE 29 HB ILE 29 -12.963 0.493 0.817
238 HG12 ILE 29 2HG1 ILE 29 -10.181 -0.298 -0.101
239 HG13 ILE 29 3HG1 ILE 29 -11.344 -1.487 0.400
240 HG21 ILE 29 1HG2 ILE 29 -11.711 2.105 -0.618
241 HG22 ILE 29 2HG2 ILE 29 -11.991 2.749 0.986
242 HG23 ILE 29 3HG2 ILE 29 -10.387 2.105 0.556
243 HD11 ILE 29 3HD1 ILE 29 -11.515 -1.415 -1.948
244 HD12 ILE 29 1HD1 ILE 29 -12.961 -0.611 -1.336
245 HD13 ILE 29 2HD1 ILE 29 -11.614 0.349 -1.994
246 H LYS 30 H LYS 30 -10.281 2.331 3.349
247 HA LYS 30 HA LYS 30 -12.589 3.963 4.095
248 HB2 LYS 30 HB2 LYS 30 -11.955 4.233 6.429
249 HB3 LYS 30 HB3 LYS 30 -12.317 2.558 6.083
250 HG2 LYS 30 HG2 LYS 30 -9.844 2.083 5.894
251 HG3 LYS 30 HG3 LYS 30 -9.550 3.768 6.406
252 HD2 LYS 30 HD2 LYS 30 -10.881 3.321 8.494
253 HD3 LYS 30 HD3 LYS 30 -11.021 1.634 7.990
254 HE2 LYS 30 HE2 LYS 30 -8.433 3.107 8.605
255 HE3 LYS 30 HE3 LYS 30 -9.265 1.963 9.668
256 HZ1 LYS 30 HZ1 LYS 30 -7.595 0.754 8.597
257 HZ2 LYS 30 HZ2 LYS 30 -8.970 0.294 7.838
258 HZ3 LYS 30 HZ3 LYS 30 -7.957 1.324 7.083
Start of MODEL 19
1 H1 MET 1 H1 MET 1 15.555 13.246 -3.457
2 H2 MET 1 H2 MET 1 14.177 13.439 -2.573
3 H3 MET 1 H3 MET 1 14.108 12.787 -4.073
4 HA MET 1 HA MET 1 15.375 10.900 -3.415
5 HB2 MET 1 HB2 MET 1 15.999 10.459 -1.151
6 HB3 MET 1 HB3 MET 1 16.649 12.012 -1.639
7 HG2 MET 1 HG2 MET 1 15.939 12.386 0.525
8 HG3 MET 1 HG3 MET 1 14.657 13.094 -0.441
9 HE1 MET 1 HE1 MET 1 15.797 10.419 2.103
10 HE2 MET 1 HE2 MET 1 14.433 9.288 2.201
11 HE3 MET 1 HE3 MET 1 15.453 9.319 0.752
12 H ARG 2 H ARG 2 14.400 8.991 -2.727
13 HA ARG 2 HA ARG 2 11.530 9.092 -3.062
14 HB2 ARG 2 HB2 ARG 2 13.490 6.791 -2.730
15 HB3 ARG 2 HB3 ARG 2 11.777 6.558 -3.028
16 HG2 ARG 2 HG2 ARG 2 13.734 7.968 -4.897
17 HG3 ARG 2 HG3 ARG 2 13.096 6.337 -5.077
18 HD2 ARG 2 HD2 ARG 2 11.488 8.913 -5.255
19 HD3 ARG 2 HD3 ARG 2 11.970 7.874 -6.588
20 HE ARG 2 HE ARG 2 10.019 7.150 -4.426
21 HH11 ARG 2 1HH1 ARG 2 10.875 6.778 -7.795
22 HH12 ARG 2 2HH1 ARG 2 9.516 5.715 -8.059
23 HH21 ARG 2 1HH2 ARG 2 8.445 5.749 -4.834
24 HH22 ARG 2 2HH2 ARG 2 8.376 4.905 -6.359
25 H LYS 3 H LYS 3 9.921 8.677 -1.825
26 HA LYS 3 HA LYS 3 10.175 8.565 1.075
27 HB2 LYS 3 HB2 LYS 3 8.599 10.062 0.128
28 HB3 LYS 3 HB3 LYS 3 7.905 8.835 -0.929
29 HG2 LYS 3 HG2 LYS 3 6.819 7.735 0.925
30 HG3 LYS 3 HG3 LYS 3 7.632 8.764 2.102
31 HD2 LYS 3 HD2 LYS 3 5.653 9.690 -0.040
32 HD3 LYS 3 HD3 LYS 3 5.268 9.444 1.661
33 HE2 LYS 3 HE2 LYS 3 7.170 11.548 0.518
34 HE3 LYS 3 HE3 LYS 3 5.557 11.818 1.153
35 HZ1 LYS 3 HZ1 LYS 3 7.167 12.350 2.838
36 HZ2 LYS 3 HZ2 LYS 3 6.343 11.022 3.319
37 HZ3 LYS 3 HZ3 LYS 3 7.891 10.885 2.737
38 H HIS 4 H HIS 4 9.505 6.364 -1.399
39 HA HIS 4 HA HIS 4 8.391 4.289 0.409
40 HB2 HIS 4 HB2 HIS 4 8.800 4.140 -2.590
41 HB3 HIS 4 HB3 HIS 4 7.794 3.088 -1.589
42 HD2 HIS 4 HD2 HIS 4 6.188 5.380 0.056
43 HE1 HIS 4 HE1 HIS 4 4.979 6.817 -3.773
44 HE2 HIS 4 HE2 HIS 4 4.447 6.857 -1.292
45 H LEU 5 H LEU 5 9.192 2.260 0.684
46 HA LEU 5 HA LEU 5 11.786 1.383 -0.290
47 HB2 LEU 5 HB2 LEU 5 12.902 1.277 1.862
48 HB3 LEU 5 HB3 LEU 5 12.626 2.920 1.364
49 HG LEU 5 HG LEU 5 10.610 1.699 3.250
50 HD11 LEU 5 1HD1 LEU 5 12.791 1.005 4.201
51 HD12 LEU 5 2HD1 LEU 5 13.323 2.696 4.160
52 HD13 LEU 5 3HD1 LEU 5 11.966 2.214 5.193
53 HD21 LEU 5 3HD2 LEU 5 11.906 4.455 3.073
54 HD22 LEU 5 1HD2 LEU 5 10.281 4.032 2.497
55 HD23 LEU 5 2HD2 LEU 5 10.640 3.978 4.220
56 H GLY 6 H GLY 6 11.622 -0.198 2.527
57 HA2 GLY 6 HA2 GLY 6 9.356 -2.036 1.926
58 HA3 GLY 6 HA3 GLY 6 11.013 -2.650 1.878
59 H GLY 7 H GLY 7 11.149 -0.424 4.281
60 HA2 GLY 7 HA2 GLY 7 10.736 -2.264 6.525
61 HA3 GLY 7 HA3 GLY 7 11.332 -0.608 6.580
62 H CYS 8 H CYS 8 9.960 0.262 8.133
63 HA CYS 8 HA CYS 8 7.263 -0.227 8.559
64 HB2 CYS 8 HB2 CYS 8 9.005 2.189 9.069
65 HB3 CYS 8 HB3 CYS 8 7.292 2.203 9.450
66 HG CYS 8 HG CYS 8 8.401 1.680 11.672
67 H TRP 9 H TRP 9 8.442 1.712 5.860
68 HA TRP 9 HA TRP 9 6.065 3.058 5.158
69 HB2 TRP 9 HB2 TRP 9 7.830 3.649 3.813
70 HB3 TRP 9 HB3 TRP 9 8.468 2.029 3.777
71 HD1 TRP 9 HD1 TRP 9 7.931 0.463 1.916
72 HE1 TRP 9 HE1 TRP 9 6.447 0.465 -0.200
73 HE3 TRP 9 HE3 TRP 9 5.180 4.630 2.914
74 HZ2 TRP 9 HZ2 TRP 9 4.294 2.041 -1.251
75 HZ3 TRP 9 HZ3 TRP 9 3.251 5.223 1.463
76 HH2 TRP 9 HH2 TRP 9 2.813 3.953 -0.623
77 H LEU 10 H LEU 10 6.908 -0.391 4.746
78 HA LEU 10 HA LEU 10 4.926 -0.977 2.821
79 HB2 LEU 10 HB2 LEU 10 7.153 -2.021 3.320
80 HB3 LEU 10 HB3 LEU 10 6.468 -2.740 4.770
81 HG LEU 10 HG LEU 10 4.758 -3.844 3.256
82 HD11 LEU 10 1HD1 LEU 10 6.755 -2.969 1.114
83 HD12 LEU 10 2HD1 LEU 10 5.465 -4.156 0.873
84 HD13 LEU 10 3HD1 LEU 10 5.049 -2.478 1.220
85 HD21 LEU 10 3HD2 LEU 10 6.314 -5.654 2.569
86 HD22 LEU 10 1HD2 LEU 10 7.690 -4.570 2.882
87 HD23 LEU 10 2HD2 LEU 10 6.637 -5.092 4.212
88 H ALA 11 H ALA 11 4.762 -0.744 6.291
89 HA ALA 11 HA ALA 11 2.380 -2.234 6.813
90 HB1 ALA 11 HB1 ALA 11 3.981 -1.334 8.506
91 HB2 ALA 11 HB2 ALA 11 3.433 0.313 8.127
92 HB3 ALA 11 HB3 ALA 11 2.302 -0.862 8.831
93 H ILE 12 H ILE 12 2.870 0.797 5.071
94 HA ILE 12 HA ILE 12 0.026 1.631 5.318
95 HB ILE 12 HB ILE 12 2.312 2.723 3.624
96 HG12 ILE 12 2HG1 ILE 12 1.529 4.818 5.091
97 HG13 ILE 12 3HG1 ILE 12 0.896 3.593 6.180
98 HG21 ILE 12 1HG2 ILE 12 -0.584 3.648 3.767
99 HG22 ILE 12 2HG2 ILE 12 0.752 4.538 3.004
100 HG23 ILE 12 3HG2 ILE 12 0.256 2.997 2.338
101 HD11 ILE 12 3HD1 ILE 12 3.212 2.678 6.425
102 HD12 ILE 12 1HD1 ILE 12 3.792 3.876 5.240
103 HD13 ILE 12 2HD1 ILE 12 3.147 4.405 6.804
104 H VAL 13 H VAL 13 2.113 -0.008 2.921
105 HA VAL 13 HA VAL 13 -0.010 -0.338 1.002
106 HB VAL 13 HB VAL 13 2.378 -2.176 1.179
107 HG11 VAL 13 1HG1 VAL 13 0.609 -2.767 -0.456
108 HG12 VAL 13 2HG1 VAL 13 0.694 -1.133 -1.148
109 HG13 VAL 13 3HG1 VAL 13 2.075 -2.237 -1.278
110 HG21 VAL 13 3HG2 VAL 13 3.551 -0.591 -0.346
111 HG22 VAL 13 1HG2 VAL 13 2.275 0.608 -0.052
112 HG23 VAL 13 2HG2 VAL 13 3.335 0.075 1.271
113 H CYS 14 H CYS 14 1.150 -2.391 3.657
114 HA CYS 14 HA CYS 14 -0.408 -4.686 3.241
115 HB2 CYS 14 HB2 CYS 14 0.461 -3.245 5.760
116 HB3 CYS 14 HB3 CYS 14 -0.355 -4.791 5.818
117 HG CYS 14 HG CYS 14 2.467 -3.882 4.434
118 H VAL 15 H VAL 15 -1.433 -1.862 5.237
119 HA VAL 15 HA VAL 15 -4.002 -3.032 5.695
120 HB VAL 15 HB VAL 15 -2.890 -1.519 7.135
121 HG11 VAL 15 1HG1 VAL 15 -2.022 0.166 5.585
122 HG12 VAL 15 2HG1 VAL 15 -3.672 0.696 5.186
123 HG13 VAL 15 3HG1 VAL 15 -3.020 0.939 6.821
124 HG21 VAL 15 3HG2 VAL 15 -5.623 -0.494 6.190
125 HG22 VAL 15 1HG2 VAL 15 -5.372 -1.871 7.284
126 HG23 VAL 15 2HG2 VAL 15 -4.936 -0.237 7.814
127 H LEU 16 H LEU 16 -2.897 -0.945 3.104
128 HA LEU 16 HA LEU 16 -5.536 -0.391 1.990
129 HB2 LEU 16 HB2 LEU 16 -3.658 0.986 1.377
130 HB3 LEU 16 HB3 LEU 16 -2.653 -0.406 1.010
131 HG LEU 16 HG LEU 16 -4.037 -0.914 -0.991
132 HD11 LEU 16 1HD1 LEU 16 -5.364 1.761 -0.339
133 HD12 LEU 16 2HD1 LEU 16 -5.578 0.826 -1.834
134 HD13 LEU 16 3HD1 LEU 16 -6.148 0.168 -0.294
135 HD21 LEU 16 3HD2 LEU 16 -1.974 0.418 -1.152
136 HD22 LEU 16 1HD2 LEU 16 -3.184 0.960 -2.325
137 HD23 LEU 16 2HD2 LEU 16 -2.901 1.908 -0.850
138 H LEU 17 H LEU 17 -3.060 -2.966 1.604
139 HA LEU 17 HA LEU 17 -4.420 -4.055 -0.677
140 HB2 LEU 17 HB2 LEU 17 -2.679 -5.410 -1.035
141 HB3 LEU 17 HB3 LEU 17 -1.971 -4.073 -0.153
142 HG LEU 17 HG LEU 17 -2.221 -5.624 1.915
143 HD11 LEU 17 1HD1 LEU 17 -2.213 -7.706 -0.319
144 HD12 LEU 17 2HD1 LEU 17 -1.897 -8.036 1.393
145 HD13 LEU 17 3HD1 LEU 17 -3.493 -7.500 0.890
146 HD21 LEU 17 3HD2 LEU 17 -0.189 -6.268 -0.249
147 HD22 LEU 17 1HD2 LEU 17 -0.089 -4.895 0.878
148 HD23 LEU 17 2HD2 LEU 17 -0.007 -6.550 1.499
149 H PHE 18 H PHE 18 -4.714 -4.860 2.733
150 HA PHE 18 HA PHE 18 -6.360 -7.244 2.020
151 HB2 PHE 18 HB2 PHE 18 -6.402 -7.816 4.256
152 HB3 PHE 18 HB3 PHE 18 -4.751 -7.407 3.833
153 HD1 PHE 18 HD1 PHE 18 -7.810 -5.992 5.443
154 HD2 PHE 18 HD2 PHE 18 -3.516 -5.968 5.241
155 HE1 PHE 18 HE1 PHE 18 -7.720 -4.738 7.598
156 HE2 PHE 18 HE2 PHE 18 -3.419 -4.833 7.460
157 HZ PHE 18 HZ PHE 18 -5.522 -4.196 8.627
158 H SER 19 H SER 19 -6.768 -3.889 3.188
159 HA SER 19 HA SER 19 -9.539 -4.020 3.853
160 HB2 SER 19 HB2 SER 19 -7.836 -1.784 2.719
161 HB3 SER 19 HB3 SER 19 -9.519 -1.560 3.285
162 HG SER 19 HG SER 19 -7.176 -2.083 4.665
163 H GLN 20 H GLN 20 -7.940 -3.561 0.731
164 HA GLN 20 HA GLN 20 -10.335 -3.097 -0.829
165 HB2 GLN 20 HB2 GLN 20 -7.595 -4.089 -1.664
166 HB3 GLN 20 HB3 GLN 20 -8.835 -3.511 -2.764
167 HG2 GLN 20 HG2 GLN 20 -7.991 -1.669 -0.516
168 HG3 GLN 20 HG3 GLN 20 -6.810 -1.979 -1.779
169 HE21 GLN 20 2HE2 GLN 20 -8.327 0.436 -0.841
170 HE22 GLN 20 1HE2 GLN 20 -8.795 1.142 -2.365
171 H LEU 21 H LEU 21 -8.316 -6.001 -0.408
172 HA LEU 21 HA LEU 21 -9.926 -7.997 -1.587
173 HB2 LEU 21 HB2 LEU 21 -7.796 -8.554 -0.893
174 HB3 LEU 21 HB3 LEU 21 -7.950 -7.838 0.687
175 HG LEU 21 HG LEU 21 -9.505 -10.347 -0.020
176 HD11 LEU 21 1HD1 LEU 21 -7.648 -11.635 0.930
177 HD12 LEU 21 2HD1 LEU 21 -7.104 -10.733 -0.485
178 HD13 LEU 21 3HD1 LEU 21 -6.689 -10.151 1.143
179 HD21 LEU 21 3HD2 LEU 21 -9.213 -10.764 2.446
180 HD22 LEU 21 1HD2 LEU 21 -8.497 -9.156 2.629
181 HD23 LEU 21 2HD2 LEU 21 -10.195 -9.352 2.163
182 H SER 22 H SER 22 -10.331 -6.439 1.606
183 HA SER 22 HA SER 22 -12.409 -8.344 2.349
184 HB2 SER 22 HB2 SER 22 -11.497 -5.859 3.846
185 HB3 SER 22 HB3 SER 22 -12.403 -7.281 4.431
186 HG SER 22 HG SER 22 -9.738 -7.247 3.553
187 H SER 23 H SER 23 -12.486 -5.204 0.821
188 HA SER 23 HA SER 23 -14.919 -4.198 1.807
189 HB2 SER 23 HB2 SER 23 -13.321 -2.872 0.590
190 HB3 SER 23 HB3 SER 23 -13.544 -3.794 -0.891
191 HG SER 23 HG SER 23 -15.433 -2.865 -1.233
192 H VAL 24 H VAL 24 -14.604 -6.890 -0.394
193 HA VAL 24 HA VAL 24 -17.380 -6.952 -1.071
194 HB VAL 24 HB VAL 24 -16.942 -8.985 -2.048
195 HG11 VAL 24 1HG1 VAL 24 -15.898 -6.962 -3.135
196 HG12 VAL 24 2HG1 VAL 24 -14.340 -7.478 -2.459
197 HG13 VAL 24 3HG1 VAL 24 -15.191 -8.507 -3.629
198 HG21 VAL 24 3HG2 VAL 24 -14.744 -10.194 -1.995
199 HG22 VAL 24 1HG2 VAL 24 -14.317 -9.219 -0.578
200 HG23 VAL 24 2HG2 VAL 24 -15.703 -10.348 -0.537
201 H LYS 25 H LYS 25 -15.518 -8.998 1.217
202 HA LYS 25 HA LYS 25 -17.983 -10.066 2.267
203 HB2 LYS 25 HB2 LYS 25 -16.525 -11.391 3.767
204 HB3 LYS 25 HB3 LYS 25 -16.086 -11.529 2.073
205 HG2 LYS 25 HG2 LYS 25 -14.171 -10.042 2.372
206 HG3 LYS 25 HG3 LYS 25 -14.640 -9.708 4.053
207 HD2 LYS 25 HD2 LYS 25 -14.251 -12.033 4.681
208 HD3 LYS 25 HD3 LYS 25 -13.957 -12.490 2.994
209 HE2 LYS 25 HE2 LYS 25 -11.958 -11.070 2.910
210 HE3 LYS 25 HE3 LYS 25 -12.251 -10.510 4.572
211 HZ1 LYS 25 HZ1 LYS 25 -11.758 -13.355 3.859
212 HZ2 LYS 25 HZ2 LYS 25 -10.596 -12.318 4.428
213 HZ3 LYS 25 HZ3 LYS 25 -11.859 -12.723 5.368
214 H ALA 26 H ALA 26 -16.525 -7.240 2.931
215 HA ALA 26 HA ALA 26 -17.772 -6.853 5.613
216 HB1 ALA 26 HB1 ALA 26 -14.773 -6.629 5.071
217 HB2 ALA 26 HB2 ALA 26 -15.576 -6.325 6.613
218 HB3 ALA 26 HB3 ALA 26 -15.539 -7.969 5.960
219 H ARG 27 H ARG 27 -17.038 -4.518 6.431
220 HA ARG 27 HA ARG 27 -17.720 -2.493 4.532
221 HB2 ARG 27 HB2 ARG 27 -16.194 -2.311 7.172
222 HB3 ARG 27 HB3 ARG 27 -16.681 -0.913 6.201
223 HG2 ARG 27 HG2 ARG 27 -19.067 -1.667 6.304
224 HG3 ARG 27 HG3 ARG 27 -18.574 -2.937 7.425
225 HD2 ARG 27 HD2 ARG 27 -17.851 -1.308 9.087
226 HD3 ARG 27 HD3 ARG 27 -18.002 0.006 7.908
227 HE ARG 27 HE ARG 27 -20.276 0.107 8.272
228 HH11 ARG 27 1HH1 ARG 27 -19.269 -2.875 9.829
229 HH12 ARG 27 2HH1 ARG 27 -20.908 -3.199 10.355
230 HH21 ARG 27 1HH2 ARG 27 -22.191 -0.287 9.026
231 HH22 ARG 27 2HH2 ARG 27 -22.525 -1.772 9.914
232 H GLY 28 H GLY 28 -14.458 -3.465 5.622
233 HA2 GLY 28 HA2 GLY 28 -12.452 -3.484 4.522
234 HA3 GLY 28 HA3 GLY 28 -13.327 -3.293 3.013
235 H ILE 29 H ILE 29 -12.694 -1.644 1.910
236 HA ILE 29 HA ILE 29 -10.780 0.193 2.365
237 HB ILE 29 HB ILE 29 -13.205 0.322 0.551
238 HG12 ILE 29 2HG1 ILE 29 -10.328 -0.428 -0.120
239 HG13 ILE 29 3HG1 ILE 29 -11.518 -1.604 0.342
240 HG21 ILE 29 1HG2 ILE 29 -12.334 2.614 0.673
241 HG22 ILE 29 2HG2 ILE 29 -10.682 2.029 0.344
242 HG23 ILE 29 3HG2 ILE 29 -11.958 1.915 -0.879
243 HD11 ILE 29 3HD1 ILE 29 -11.646 0.126 -2.139
244 HD12 ILE 29 1HD1 ILE 29 -11.453 -1.621 -2.048
245 HD13 ILE 29 2HD1 ILE 29 -12.995 -0.883 -1.571
246 H LYS 30 H LYS 30 -10.456 1.935 3.473
247 HA LYS 30 HA LYS 30 -12.440 4.076 3.636
248 HB2 LYS 30 HB2 LYS 30 -12.056 4.500 6.034
249 HB3 LYS 30 HB3 LYS 30 -12.952 3.030 5.711
250 HG2 LYS 30 HG2 LYS 30 -10.986 1.635 6.134
251 HG3 LYS 30 HG3 LYS 30 -9.977 3.075 6.380
252 HD2 LYS 30 HD2 LYS 30 -12.441 2.453 8.068
253 HD3 LYS 30 HD3 LYS 30 -10.820 1.879 8.476
254 HE2 LYS 30 HE2 LYS 30 -9.969 4.147 8.611
255 HE3 LYS 30 HE3 LYS 30 -11.517 4.824 8.086
256 HZ1 LYS 30 HZ1 LYS 30 -12.523 4.111 10.084
257 HZ2 LYS 30 HZ2 LYS 30 -11.269 3.194 10.545
258 HZ3 LYS 30 HZ3 LYS 30 -11.115 4.842 10.558
Start of MODEL 20
1 H1 MET 1 H1 MET 1 15.311 11.342 5.469
2 H2 MET 1 H2 MET 1 16.402 11.207 4.275
3 H3 MET 1 H3 MET 1 16.877 10.959 5.842
4 HA MET 1 HA MET 1 16.650 8.888 4.545
5 HB2 MET 1 HB2 MET 1 16.472 8.749 6.948
6 HB3 MET 1 HB3 MET 1 14.768 9.243 6.893
7 HG2 MET 1 HG2 MET 1 14.912 6.857 7.243
8 HG3 MET 1 HG3 MET 1 14.239 7.153 5.646
9 HE1 MET 1 HE1 MET 1 14.957 4.340 6.083
10 HE2 MET 1 HE2 MET 1 14.658 4.971 4.444
11 HE3 MET 1 HE3 MET 1 16.065 3.925 4.752
12 H ARG 2 H ARG 2 15.615 7.894 2.917
13 HA ARG 2 HA ARG 2 13.431 9.120 1.612
14 HB2 ARG 2 HB2 ARG 2 15.070 7.721 0.524
15 HB3 ARG 2 HB3 ARG 2 14.484 6.281 1.375
16 HG2 ARG 2 HG2 ARG 2 12.350 6.404 0.182
17 HG3 ARG 2 HG3 ARG 2 12.819 7.953 -0.559
18 HD2 ARG 2 HD2 ARG 2 14.685 6.824 -1.716
19 HD3 ARG 2 HD3 ARG 2 14.233 5.294 -0.945
20 HE ARG 2 HE ARG 2 12.313 6.768 -2.707
21 HH11 ARG 2 1HH1 ARG 2 14.098 3.762 -2.144
22 HH12 ARG 2 2HH1 ARG 2 13.304 3.010 -3.526
23 HH21 ARG 2 1HH2 ARG 2 11.463 5.678 -4.444
24 HH22 ARG 2 2HH2 ARG 2 11.907 3.977 -4.682
25 H LYS 3 H LYS 3 11.277 8.767 1.414
26 HA LYS 3 HA LYS 3 9.764 7.789 3.608
27 HB2 LYS 3 HB2 LYS 3 9.085 9.549 2.091
28 HB3 LYS 3 HB3 LYS 3 8.901 8.392 0.777
29 HG2 LYS 3 HG2 LYS 3 7.062 7.278 1.916
30 HG3 LYS 3 HG3 LYS 3 7.292 8.269 3.369
31 HD2 LYS 3 HD2 LYS 3 6.688 9.434 0.626
32 HD3 LYS 3 HD3 LYS 3 5.411 8.995 1.766
33 HE2 LYS 3 HE2 LYS 3 5.935 10.694 3.266
34 HE3 LYS 3 HE3 LYS 3 7.611 10.826 2.732
35 HZ1 LYS 3 HZ1 LYS 3 6.187 12.692 1.978
36 HZ2 LYS 3 HZ2 LYS 3 6.919 11.919 0.750
37 HZ3 LYS 3 HZ3 LYS 3 5.332 11.644 1.026
38 H HIS 4 H HIS 4 10.242 6.332 0.529
39 HA HIS 4 HA HIS 4 8.914 3.803 1.241
40 HB2 HIS 4 HB2 HIS 4 10.410 4.556 -1.286
41 HB3 HIS 4 HB3 HIS 4 9.383 3.141 -1.053
42 HD2 HIS 4 HD2 HIS 4 7.054 5.052 0.566
43 HE1 HIS 4 HE1 HIS 4 6.555 6.639 -3.354
44 HE2 HIS 4 HE2 HIS 4 5.503 6.420 -1.040
45 H LEU 5 H LEU 5 10.358 3.478 3.074
46 HA LEU 5 HA LEU 5 12.926 2.137 2.508
47 HB2 LEU 5 HB2 LEU 5 13.068 1.907 4.945
48 HB3 LEU 5 HB3 LEU 5 12.876 3.526 4.357
49 HG LEU 5 HG LEU 5 10.226 2.717 4.918
50 HD11 LEU 5 1HD1 LEU 5 11.078 0.841 6.308
51 HD12 LEU 5 2HD1 LEU 5 12.049 2.005 7.232
52 HD13 LEU 5 3HD1 LEU 5 10.281 2.091 7.283
53 HD21 LEU 5 3HD2 LEU 5 11.142 4.938 5.182
54 HD22 LEU 5 1HD2 LEU 5 10.421 4.399 6.717
55 HD23 LEU 5 2HD2 LEU 5 12.184 4.389 6.513
56 H GLY 6 H GLY 6 12.302 0.096 4.733
57 HA2 GLY 6 HA2 GLY 6 10.784 -1.938 3.166
58 HA3 GLY 6 HA3 GLY 6 12.507 -2.183 3.502
59 H GLY 7 H GLY 7 9.513 -1.215 5.166
60 HA2 GLY 7 HA2 GLY 7 9.907 -2.789 7.552
61 HA3 GLY 7 HA3 GLY 7 10.542 -1.157 7.745
62 H CYS 8 H CYS 8 9.043 -0.081 8.986
63 HA CYS 8 HA CYS 8 6.296 -0.455 9.159
64 HB2 CYS 8 HB2 CYS 8 8.008 2.039 9.500
65 HB3 CYS 8 HB3 CYS 8 6.270 2.008 9.837
66 HG CYS 8 HG CYS 8 8.695 0.142 11.142
67 H TRP 9 H TRP 9 7.930 1.360 6.575
68 HA TRP 9 HA TRP 9 5.729 2.712 5.455
69 HB2 TRP 9 HB2 TRP 9 7.790 3.353 4.645
70 HB3 TRP 9 HB3 TRP 9 8.366 1.697 4.567
71 HD1 TRP 9 HD1 TRP 9 8.435 0.501 2.498
72 HE1 TRP 9 HE1 TRP 9 7.367 0.628 0.152
73 HE3 TRP 9 HE3 TRP 9 5.299 4.441 3.309
74 HZ2 TRP 9 HZ2 TRP 9 5.276 2.164 -1.122
75 HZ3 TRP 9 HZ3 TRP 9 3.650 5.098 1.582
76 HH2 TRP 9 HH2 TRP 9 3.625 3.970 -0.629
77 H LEU 10 H LEU 10 6.606 -0.731 5.135
78 HA LEU 10 HA LEU 10 4.897 -1.280 2.885
79 HB2 LEU 10 HB2 LEU 10 5.798 -3.152 5.100
80 HB3 LEU 10 HB3 LEU 10 5.175 -3.641 3.534
81 HG LEU 10 HG LEU 10 7.749 -2.075 3.924
82 HD11 LEU 10 1HD1 LEU 10 7.934 -4.307 4.923
83 HD12 LEU 10 2HD1 LEU 10 7.344 -5.042 3.413
84 HD13 LEU 10 3HD1 LEU 10 8.905 -4.196 3.442
85 HD21 LEU 10 3HD2 LEU 10 8.240 -2.760 1.599
86 HD22 LEU 10 1HD2 LEU 10 6.643 -3.524 1.485
87 HD23 LEU 10 2HD2 LEU 10 6.783 -1.761 1.678
88 H ALA 11 H ALA 11 4.196 -0.902 6.334
89 HA ALA 11 HA ALA 11 1.781 -2.374 6.432
90 HB1 ALA 11 HB1 ALA 11 1.370 -1.129 8.487
91 HB2 ALA 11 HB2 ALA 11 3.090 -1.556 8.395
92 HB3 ALA 11 HB3 ALA 11 2.560 0.101 8.027
93 H ILE 12 H ILE 12 2.439 0.888 5.231
94 HA ILE 12 HA ILE 12 -0.294 1.825 5.020
95 HB ILE 12 HB ILE 12 2.281 2.664 3.613
96 HG12 ILE 12 2HG1 ILE 12 1.527 4.768 5.230
97 HG13 ILE 12 3HG1 ILE 12 0.940 3.419 6.197
98 HG21 ILE 12 1HG2 ILE 12 -0.409 4.061 3.563
99 HG22 ILE 12 2HG2 ILE 12 1.120 4.739 2.979
100 HG23 ILE 12 3HG2 ILE 12 0.434 3.334 2.175
101 HD11 ILE 12 3HD1 ILE 12 3.777 3.791 5.127
102 HD12 ILE 12 1HD1 ILE 12 3.252 4.086 6.791
103 HD13 ILE 12 2HD1 ILE 12 3.237 2.440 6.157
104 H VAL 13 H VAL 13 1.926 0.189 2.775
105 HA VAL 13 HA VAL 13 0.130 0.149 0.487
106 HB VAL 13 HB VAL 13 2.522 -1.652 1.120
107 HG11 VAL 13 1HG1 VAL 13 2.726 -1.883 -1.317
108 HG12 VAL 13 2HG1 VAL 13 1.152 -2.468 -0.776
109 HG13 VAL 13 3HG1 VAL 13 1.288 -0.871 -1.549
110 HG21 VAL 13 3HG2 VAL 13 3.306 0.656 1.246
111 HG22 VAL 13 1HG2 VAL 13 3.872 -0.082 -0.250
112 HG23 VAL 13 2HG2 VAL 13 2.500 1.043 -0.288
113 H CYS 14 H CYS 14 1.032 -2.224 2.975
114 HA CYS 14 HA CYS 14 -0.511 -4.425 2.156
115 HB2 CYS 14 HB2 CYS 14 0.469 -3.409 4.825
116 HB3 CYS 14 HB3 CYS 14 -0.394 -4.911 4.704
117 HG CYS 14 HG CYS 14 2.487 -3.878 3.543
118 H VAL 15 H VAL 15 -1.466 -1.945 4.616
119 HA VAL 15 HA VAL 15 -4.029 -3.156 4.965
120 HB VAL 15 HB VAL 15 -2.862 -1.739 6.531
121 HG11 VAL 15 1HG1 VAL 15 -2.283 0.155 4.971
122 HG12 VAL 15 2HG1 VAL 15 -3.992 0.622 4.941
123 HG13 VAL 15 3HG1 VAL 15 -3.070 0.703 6.459
124 HG21 VAL 15 3HG2 VAL 15 -5.707 -0.810 5.812
125 HG22 VAL 15 1HG2 VAL 15 -5.307 -2.230 6.806
126 HG23 VAL 15 2HG2 VAL 15 -4.946 -0.606 7.406
127 H LEU 16 H LEU 16 -2.958 -0.746 2.644
128 HA LEU 16 HA LEU 16 -5.629 -0.127 1.671
129 HB2 LEU 16 HB2 LEU 16 -3.824 1.447 1.384
130 HB3 LEU 16 HB3 LEU 16 -2.777 0.236 0.659
131 HG LEU 16 HG LEU 16 -4.124 0.187 -1.362
132 HD11 LEU 16 1HD1 LEU 16 -6.355 0.728 -0.484
133 HD12 LEU 16 2HD1 LEU 16 -5.802 2.347 -0.009
134 HD13 LEU 16 3HD1 LEU 16 -5.904 1.898 -1.725
135 HD21 LEU 16 3HD2 LEU 16 -3.395 3.014 -0.507
136 HD22 LEU 16 1HD2 LEU 16 -2.278 1.801 -1.171
137 HD23 LEU 16 2HD2 LEU 16 -3.587 2.439 -2.179
138 H LEU 17 H LEU 17 -3.127 -2.607 0.959
139 HA LEU 17 HA LEU 17 -4.504 -3.523 -1.404
140 HB2 LEU 17 HB2 LEU 17 -2.806 -4.825 -1.868
141 HB3 LEU 17 HB3 LEU 17 -2.021 -3.750 -0.741
142 HG LEU 17 HG LEU 17 -2.504 -5.564 1.032
143 HD11 LEU 17 1HD1 LEU 17 -2.703 -7.279 -1.488
144 HD12 LEU 17 2HD1 LEU 17 -2.506 -7.888 0.173
145 HD13 LEU 17 3HD1 LEU 17 -3.995 -7.081 -0.291
146 HD21 LEU 17 3HD2 LEU 17 -0.543 -6.239 -1.176
147 HD22 LEU 17 1HD2 LEU 17 -0.261 -4.988 0.043
148 HD23 LEU 17 2HD2 LEU 17 -0.421 -6.681 0.535
149 H PHE 18 H PHE 18 -4.651 -4.594 1.999
150 HA PHE 18 HA PHE 18 -6.424 -6.797 1.186
151 HB2 PHE 18 HB2 PHE 18 -6.540 -7.494 3.467
152 HB3 PHE 18 HB3 PHE 18 -4.926 -7.435 2.801
153 HD1 PHE 18 HD2 PHE 18 -7.266 -5.416 4.877
154 HD2 PHE 18 HD1 PHE 18 -3.192 -6.525 4.123
155 HE1 PHE 18 HE2 PHE 18 -6.599 -4.443 7.082
156 HE2 PHE 18 HE1 PHE 18 -2.516 -5.574 6.324
157 HZ PHE 18 HZ PHE 18 -4.224 -4.546 7.809
158 H SER 19 H SER 19 -6.833 -3.638 2.643
159 HA SER 19 HA SER 19 -9.515 -3.840 3.517
160 HB2 SER 19 HB2 SER 19 -7.887 -1.603 2.302
161 HB3 SER 19 HB3 SER 19 -9.543 -1.340 2.941
162 HG SER 19 HG SER 19 -7.156 -1.946 4.192
163 H GLN 20 H GLN 20 -8.275 -3.324 0.250
164 HA GLN 20 HA GLN 20 -10.811 -2.746 -1.013
165 HB2 GLN 20 HB2 GLN 20 -8.133 -3.676 -2.112
166 HB3 GLN 20 HB3 GLN 20 -9.433 -3.023 -3.086
167 HG2 GLN 20 HG2 GLN 20 -8.281 -1.431 -0.743
168 HG3 GLN 20 HG3 GLN 20 -7.419 -1.490 -2.282
169 HE21 GLN 20 2HE2 GLN 20 -8.622 0.713 -0.711
170 HE22 GLN 20 1HE2 GLN 20 -9.638 1.540 -1.867
171 H LEU 21 H LEU 21 -8.789 -5.664 -0.866
172 HA LEU 21 HA LEU 21 -10.603 -7.543 -2.059
173 HB2 LEU 21 HB2 LEU 21 -8.564 -8.440 -1.946
174 HB3 LEU 21 HB3 LEU 21 -8.061 -7.541 -0.536
175 HG LEU 21 HG LEU 21 -9.906 -9.935 -0.244
176 HD11 LEU 21 1HD1 LEU 21 -7.899 -11.299 0.152
177 HD12 LEU 21 2HD1 LEU 21 -7.947 -10.687 -1.506
178 HD13 LEU 21 3HD1 LEU 21 -6.867 -9.929 -0.313
179 HD21 LEU 21 3HD2 LEU 21 -7.826 -8.664 1.605
180 HD22 LEU 21 1HD2 LEU 21 -9.558 -8.446 1.788
181 HD23 LEU 21 2HD2 LEU 21 -8.860 -10.050 1.992
182 H SER 22 H SER 22 -10.451 -6.232 1.178
183 HA SER 22 HA SER 22 -12.271 -8.134 2.352
184 HB2 SER 22 HB2 SER 22 -10.537 -6.880 3.655
185 HB3 SER 22 HB3 SER 22 -11.278 -5.424 3.204
186 HG SER 22 HG SER 22 -12.263 -7.527 4.828
187 H SER 23 H SER 23 -12.659 -4.817 1.093
188 HA SER 23 HA SER 23 -15.109 -4.329 2.306
189 HB2 SER 23 HB2 SER 23 -13.358 -2.688 1.315
190 HB3 SER 23 HB3 SER 23 -14.199 -2.893 -0.215
191 HG SER 23 HG SER 23 -15.354 -2.033 2.259
192 H VAL 24 H VAL 24 -14.927 -6.579 -0.116
193 HA VAL 24 HA VAL 24 -17.635 -6.132 -1.159
194 HB VAL 24 HB VAL 24 -17.012 -8.088 -2.543
195 HG11 VAL 24 1HG1 VAL 24 -14.963 -5.849 -2.723
196 HG12 VAL 24 2HG1 VAL 24 -15.473 -6.921 -4.039
197 HG13 VAL 24 3HG1 VAL 24 -16.641 -5.785 -3.341
198 HG21 VAL 24 3HG2 VAL 24 -14.677 -8.788 -2.831
199 HG22 VAL 24 1HG2 VAL 24 -14.214 -7.852 -1.410
200 HG23 VAL 24 2HG2 VAL 24 -15.299 -9.265 -1.262
201 H LYS 25 H LYS 25 -15.738 -8.444 0.746
202 HA LYS 25 HA LYS 25 -18.120 -10.074 1.335
203 HB2 LYS 25 HB2 LYS 25 -16.506 -11.721 2.202
204 HB3 LYS 25 HB3 LYS 25 -16.131 -11.250 0.541
205 HG2 LYS 25 HG2 LYS 25 -14.347 -9.712 1.385
206 HG3 LYS 25 HG3 LYS 25 -14.716 -10.209 3.041
207 HD2 LYS 25 HD2 LYS 25 -14.102 -12.560 2.445
208 HD3 LYS 25 HD3 LYS 25 -13.696 -12.012 0.801
209 HE2 LYS 25 HE2 LYS 25 -12.019 -10.429 1.757
210 HE3 LYS 25 HE3 LYS 25 -12.410 -11.009 3.384
211 HZ1 LYS 25 HZ1 LYS 25 -10.466 -12.149 2.580
212 HZ2 LYS 25 HZ2 LYS 25 -11.673 -13.248 2.637
213 HZ3 LYS 25 HZ3 LYS 25 -11.215 -12.603 1.184
214 H ALA 26 H ALA 26 -16.681 -7.465 2.601
215 HA ALA 26 HA ALA 26 -17.684 -7.685 5.344
216 HB1 ALA 26 HB1 ALA 26 -15.419 -7.577 6.353
217 HB2 ALA 26 HB2 ALA 26 -15.567 -9.046 5.384
218 HB3 ALA 26 HB3 ALA 26 -14.692 -7.637 4.736
219 H ARG 27 H ARG 27 -16.426 -5.698 6.579
220 HA ARG 27 HA ARG 27 -17.278 -3.278 5.286
221 HB2 ARG 27 HB2 ARG 27 -15.504 -3.642 7.746
222 HB3 ARG 27 HB3 ARG 27 -16.276 -2.138 7.225
223 HG2 ARG 27 HG2 ARG 27 -18.505 -3.208 7.452
224 HG3 ARG 27 HG3 ARG 27 -17.739 -4.674 8.082
225 HD2 ARG 27 HD2 ARG 27 -16.837 -3.441 9.996
226 HD3 ARG 27 HD3 ARG 27 -17.472 -1.921 9.352
227 HE ARG 27 HE ARG 27 -19.760 -2.824 9.617
228 HH11 ARG 27 1HH1 ARG 27 -17.323 -4.446 11.659
229 HH12 ARG 27 2HH1 ARG 27 -18.475 -4.586 12.963
230 HH21 ARG 27 1HH2 ARG 27 -21.119 -3.230 11.342
231 HH22 ARG 27 2HH2 ARG 27 -20.490 -4.156 12.706
232 H GLY 28 H GLY 28 -13.924 -4.461 5.909
233 HA2 GLY 28 HA2 GLY 28 -11.962 -4.077 4.680
234 HA3 GLY 28 HA3 GLY 28 -13.001 -3.600 3.352
235 H ILE 29 H ILE 29 -12.332 -1.724 2.595
236 HA ILE 29 HA ILE 29 -10.873 0.355 3.577
237 HB ILE 29 HB ILE 29 -13.306 0.647 1.766
238 HG12 ILE 29 2HG1 ILE 29 -10.539 0.199 0.638
239 HG13 ILE 29 3HG1 ILE 29 -11.483 -1.177 1.061
240 HG21 ILE 29 1HG2 ILE 29 -10.737 2.309 1.967
241 HG22 ILE 29 2HG2 ILE 29 -11.996 2.518 0.738
242 HG23 ILE 29 3HG2 ILE 29 -12.371 2.828 2.417
243 HD11 ILE 29 3HD1 ILE 29 -11.857 -0.701 -1.264
244 HD12 ILE 29 1HD1 ILE 29 -13.347 -0.382 -0.386
245 HD13 ILE 29 2HD1 ILE 29 -12.327 0.978 -0.917
246 H LYS 30 H LYS 30 -11.079 1.499 5.450
247 HA LYS 30 HA LYS 30 -13.737 2.264 6.480
248 HB2 LYS 30 HB2 LYS 30 -12.069 1.359 8.026
249 HB3 LYS 30 HB3 LYS 30 -11.010 2.737 7.711
250 HG2 LYS 30 HG2 LYS 30 -12.750 4.286 8.599
251 HG3 LYS 30 HG3 LYS 30 -13.851 2.920 8.836
252 HD2 LYS 30 HD2 LYS 30 -12.278 1.936 10.488
253 HD3 LYS 30 HD3 LYS 30 -11.174 3.305 10.230
254 HE2 LYS 30 HE2 LYS 30 -13.064 4.843 10.963
255 HE3 LYS 30 HE3 LYS 30 -13.993 3.415 11.400
256 HZ1 LYS 30 HZ1 LYS 30 -12.228 2.827 12.988
257 HZ2 LYS 30 HZ2 LYS 30 -11.345 4.174 12.517
258 HZ3 LYS 30 HZ3 LYS 30 -12.737 4.334 13.310
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